smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)[C@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[NH+]1CCOCC1 ZINC000361202107 282249770 /nfs/dbraw/zinc/24/97/70/282249770.db2.gz PLRUDPIGESSKIY-ZWKOTPCHSA-N 1 2 348.491 1.322 20 30 EDEDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N[C@@H]1CCCNC1=O ZINC000328670811 539346550 /nfs/dbraw/zinc/34/65/50/539346550.db2.gz GSCZURWMMMJPPE-HZPDHXFCSA-N 1 2 346.431 1.682 20 30 EDEDLO C[C@@H](CNC(=O)NCCC(=O)N1CCCCCC1)[NH+]1CCOCC1 ZINC000328684236 539351818 /nfs/dbraw/zinc/35/18/18/539351818.db2.gz POYYTVIODIZQOK-HNNXBMFYSA-N 1 2 340.468 1.003 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000329312617 539428284 /nfs/dbraw/zinc/42/82/84/539428284.db2.gz APUAWDIREIKLKG-CQSZACIVSA-N 1 2 347.463 1.774 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000329312617 539428288 /nfs/dbraw/zinc/42/82/88/539428288.db2.gz APUAWDIREIKLKG-CQSZACIVSA-N 1 2 347.463 1.774 20 30 EDEDLO N#C[C@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@@]12c1ccccc1NC2=O ZINC000375964476 283068490 /nfs/dbraw/zinc/06/84/90/283068490.db2.gz XJGKLPRHEYJSPE-YWZLYKJASA-N 1 2 346.390 1.631 20 30 EDEDLO N#C[C@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@@]12c1ccccc1NC2=O ZINC000375964476 283068495 /nfs/dbraw/zinc/06/84/95/283068495.db2.gz XJGKLPRHEYJSPE-YWZLYKJASA-N 1 2 346.390 1.631 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000563559935 306338819 /nfs/dbraw/zinc/33/88/19/306338819.db2.gz WAMKMNGJLFQAFM-UHFFFAOYSA-N 1 2 343.818 1.836 20 30 EDEDLO COc1cc(C#N)ccc1CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000120472778 138315768 /nfs/dbraw/zinc/31/57/68/138315768.db2.gz PLPXOALNIQYORV-CQSZACIVSA-N 1 2 342.443 1.352 20 30 EDEDLO CC(C)C(=O)N1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123553319 138319225 /nfs/dbraw/zinc/31/92/25/138319225.db2.gz WNNOTVHPVZIEMM-UHFFFAOYSA-N 1 2 325.416 1.896 20 30 EDEDLO CC(C)C(=O)N1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123553319 138319226 /nfs/dbraw/zinc/31/92/26/138319226.db2.gz WNNOTVHPVZIEMM-UHFFFAOYSA-N 1 2 325.416 1.896 20 30 EDEDLO N#Cc1cccnc1N1CCCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000369001896 283218371 /nfs/dbraw/zinc/21/83/71/283218371.db2.gz OEGLVNVJJCJNEG-UHFFFAOYSA-N 1 2 329.795 1.696 20 30 EDEDLO N#Cc1cccnc1N1CCCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000369001896 283218372 /nfs/dbraw/zinc/21/83/72/283218372.db2.gz OEGLVNVJJCJNEG-UHFFFAOYSA-N 1 2 329.795 1.696 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151145524 138449423 /nfs/dbraw/zinc/44/94/23/138449423.db2.gz BRGBZSDUCTZFLU-OAHLLOKOSA-N 1 2 329.381 1.795 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1OCCc2ccccc21 ZINC000132366887 237230660 /nfs/dbraw/zinc/23/06/60/237230660.db2.gz RNRXSNPLVCDOIM-SFHVURJKSA-N 1 2 343.427 1.375 20 30 EDEDLO O=C(C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000176988139 237366912 /nfs/dbraw/zinc/36/69/12/237366912.db2.gz NBDZMKQKSMOQQO-UHFFFAOYSA-N 1 2 345.874 1.932 20 30 EDEDLO N#CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccco1 ZINC000177191082 237376231 /nfs/dbraw/zinc/37/62/31/237376231.db2.gz JPKUGZNSGCZNPD-UHFFFAOYSA-N 1 2 346.309 1.773 20 30 EDEDLO N#CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccco1 ZINC000177191082 237376238 /nfs/dbraw/zinc/37/62/38/237376238.db2.gz JPKUGZNSGCZNPD-UHFFFAOYSA-N 1 2 346.309 1.773 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](c1nc(C(C)C)no1)C1CCOCC1 ZINC000275318902 201279594 /nfs/dbraw/zinc/27/95/94/201279594.db2.gz OUVUMQZVUUQKPZ-JSGCOSHPSA-N 1 2 336.436 1.941 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NCC#Cc2ccccc2)C1 ZINC000276185584 201291062 /nfs/dbraw/zinc/29/10/62/201291062.db2.gz BZBSBNBCKKTBGD-LJQANCHMSA-N 1 2 341.455 1.790 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NCC#Cc2ccccc2)C1 ZINC000276185584 201291064 /nfs/dbraw/zinc/29/10/64/201291064.db2.gz BZBSBNBCKKTBGD-LJQANCHMSA-N 1 2 341.455 1.790 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3Cc4ccccc4C[C@@H]3C(N)=O)n2c1 ZINC000119784781 204307362 /nfs/dbraw/zinc/30/73/62/204307362.db2.gz HGFYCJBXQRAWBL-QGZVFWFLSA-N 1 2 331.379 1.618 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000177232944 284295673 /nfs/dbraw/zinc/29/56/73/284295673.db2.gz BAVIVRMJWDLQNO-WBAXXEDZSA-N 1 2 343.427 1.425 20 30 EDEDLO CCC(C)(C)NC(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155530698 205017690 /nfs/dbraw/zinc/01/76/90/205017690.db2.gz ZZFMVAFRTTWPLB-ZDUSSCGKSA-N 1 2 330.436 1.164 20 30 EDEDLO CCC(C)(C)NC(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155530698 205017693 /nfs/dbraw/zinc/01/76/93/205017693.db2.gz ZZFMVAFRTTWPLB-ZDUSSCGKSA-N 1 2 330.436 1.164 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000156584341 206087569 /nfs/dbraw/zinc/08/75/69/206087569.db2.gz DCICAULNJKOKAD-CQSZACIVSA-N 1 2 327.388 1.911 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1nncn1C ZINC000156584341 206087573 /nfs/dbraw/zinc/08/75/73/206087573.db2.gz DCICAULNJKOKAD-CQSZACIVSA-N 1 2 327.388 1.911 20 30 EDEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1 ZINC000266863902 249350915 /nfs/dbraw/zinc/35/09/15/249350915.db2.gz VGTRYMUBTAKYLE-QWHCGFSZSA-N 1 2 338.205 1.461 20 30 EDEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1 ZINC000266863902 249350917 /nfs/dbraw/zinc/35/09/17/249350917.db2.gz VGTRYMUBTAKYLE-QWHCGFSZSA-N 1 2 338.205 1.461 20 30 EDEDLO C#CC[N@@H+](CC)CC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1 ZINC000266920021 249352686 /nfs/dbraw/zinc/35/26/86/249352686.db2.gz LPUGGJYISCZKCJ-OAHLLOKOSA-N 1 2 331.372 1.406 20 30 EDEDLO C#CC[N@H+](CC)CC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1 ZINC000266920021 249352689 /nfs/dbraw/zinc/35/26/89/249352689.db2.gz LPUGGJYISCZKCJ-OAHLLOKOSA-N 1 2 331.372 1.406 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000283007388 249553951 /nfs/dbraw/zinc/55/39/51/249553951.db2.gz ZJAMNVBARJBINT-CYBMUJFWSA-N 1 2 333.417 1.298 20 30 EDEDLO CC(=O)N1CC[C@@H](CN(C)C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000328866628 249805212 /nfs/dbraw/zinc/80/52/12/249805212.db2.gz WSBSKLKMKXMXRP-HNNXBMFYSA-N 1 2 335.452 1.753 20 30 EDEDLO C=CCSCCNC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000355285935 250110416 /nfs/dbraw/zinc/11/04/16/250110416.db2.gz FILVAYUEDKFQOG-CYBMUJFWSA-N 1 2 336.461 1.221 20 30 EDEDLO N#CCC[N@H+](CCCO[C@@H]1CCCCO1)CCN1CCOCC1 ZINC000358831523 250146538 /nfs/dbraw/zinc/14/65/38/250146538.db2.gz PFHSHCKUQKHPIS-QGZVFWFLSA-N 1 2 325.453 1.468 20 30 EDEDLO N#CCC[N@@H+](CCCO[C@@H]1CCCCO1)CCN1CCOCC1 ZINC000358831523 250146539 /nfs/dbraw/zinc/14/65/39/250146539.db2.gz PFHSHCKUQKHPIS-QGZVFWFLSA-N 1 2 325.453 1.468 20 30 EDEDLO N#CCCN(CCCO[C@@H]1CCCCO1)CC[NH+]1CCOCC1 ZINC000358831523 250146543 /nfs/dbraw/zinc/14/65/43/250146543.db2.gz PFHSHCKUQKHPIS-QGZVFWFLSA-N 1 2 325.453 1.468 20 30 EDEDLO C=C[C@H](CO)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000358606720 250139806 /nfs/dbraw/zinc/13/98/06/250139806.db2.gz PJGLKUNGBHVMBA-UMVBOHGHSA-N 1 2 334.420 1.041 20 30 EDEDLO C=CCOC[C@H]([NH2+]C1CCN(c2nc(C)cs2)CC1)C(=O)OC ZINC000361111602 250170971 /nfs/dbraw/zinc/17/09/71/250170971.db2.gz UBHQZHUPRHXTFL-AWEZNQCLSA-N 1 2 339.461 1.754 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(Br)ccn2)CC1 ZINC000359328157 250151323 /nfs/dbraw/zinc/15/13/23/250151323.db2.gz ILQLIEVWBTWUJE-UHFFFAOYSA-N 1 2 339.237 1.268 20 30 EDEDLO N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000360082167 250161246 /nfs/dbraw/zinc/16/12/46/250161246.db2.gz JXKWLFFRUHRRDN-GJZGRUSLSA-N 1 2 329.404 1.410 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1N(CCC#N)Cc1cccnc1 ZINC000367922794 250196883 /nfs/dbraw/zinc/19/68/83/250196883.db2.gz XGEJWDFSBFMZOT-SJLPKXTDSA-N 1 2 329.448 1.507 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(=Cc2cc(C)on2)CC1 ZINC000368565043 250200765 /nfs/dbraw/zinc/20/07/65/250200765.db2.gz ZMCKTMCBNXKYQD-ZDUSSCGKSA-N 1 2 332.404 1.863 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000374452211 250265295 /nfs/dbraw/zinc/26/52/95/250265295.db2.gz LCQCGWRPLHJYAB-ZDUSSCGKSA-N 1 2 347.444 1.513 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2C(=O)Nc2ccc(OC)cc2)C1=O ZINC000374155663 250254414 /nfs/dbraw/zinc/25/44/14/250254414.db2.gz CAZTXMZAQRKPBN-IAGOWNOFSA-N 1 2 343.427 1.885 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(OC)cc2)C1=O ZINC000374155663 250254420 /nfs/dbraw/zinc/25/44/20/250254420.db2.gz CAZTXMZAQRKPBN-IAGOWNOFSA-N 1 2 343.427 1.885 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C1=O ZINC000374275265 250257711 /nfs/dbraw/zinc/25/77/11/250257711.db2.gz WIOVZQLMBOPRPJ-JKSUJKDBSA-N 1 2 342.443 1.543 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)CCC(C)(C)C#N)C[C@@H]1[NH+]1CCOCC1 ZINC000377839437 250294415 /nfs/dbraw/zinc/29/44/15/250294415.db2.gz JCCRNIUOOFLAIS-CABCVRRESA-N 1 2 343.493 1.299 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)c1C#N ZINC000174611298 207037270 /nfs/dbraw/zinc/03/72/70/207037270.db2.gz VMVBVVCIXCIJIB-UHFFFAOYSA-N 1 2 347.378 1.812 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000330383962 285045128 /nfs/dbraw/zinc/04/51/28/285045128.db2.gz YVZXDXILIDBCRP-CHWSQXEVSA-N 1 2 325.438 1.663 20 30 EDEDLO C#CCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267253997 533053770 /nfs/dbraw/zinc/05/37/70/533053770.db2.gz OQQMEXVJYFSFGI-UHFFFAOYSA-N 1 2 339.193 1.898 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2csc(CCCC)n2)CC1 ZINC000491072573 255118597 /nfs/dbraw/zinc/11/85/97/255118597.db2.gz SZVBORQOKHNKFS-UHFFFAOYSA-N 1 2 334.489 1.353 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cc(C)ccc2NC(C)=O)CC1 ZINC000490778754 255106472 /nfs/dbraw/zinc/10/64/72/255106472.db2.gz KPTXWESVNBULDH-UHFFFAOYSA-N 1 2 329.400 1.110 20 30 EDEDLO C#CCNC(=O)C1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000491697878 255142712 /nfs/dbraw/zinc/14/27/12/255142712.db2.gz RTCKBUCCIILYIV-OAHLLOKOSA-N 1 2 343.431 1.042 20 30 EDEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000495271971 255277241 /nfs/dbraw/zinc/27/72/41/255277241.db2.gz WLJZEMRKCWNFPW-DZGCQCFKSA-N 1 2 346.431 1.913 20 30 EDEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000495271971 255277242 /nfs/dbraw/zinc/27/72/42/255277242.db2.gz WLJZEMRKCWNFPW-DZGCQCFKSA-N 1 2 346.431 1.913 20 30 EDEDLO CC(C)(C)OC(=O)N1CC([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000495860304 255332848 /nfs/dbraw/zinc/33/28/48/255332848.db2.gz YLBIBYBIGIMWRM-UHFFFAOYSA-N 1 2 343.431 1.695 20 30 EDEDLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000413863955 269724577 /nfs/dbraw/zinc/72/45/77/269724577.db2.gz IUXCMZVSOMFRQI-UHFFFAOYSA-N 1 2 335.379 1.117 20 30 EDEDLO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000093458607 533645998 /nfs/dbraw/zinc/64/59/98/533645998.db2.gz HYOLTOVJPJCVTO-QGZVFWFLSA-N 1 2 331.416 1.800 20 30 EDEDLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000093458607 533646006 /nfs/dbraw/zinc/64/60/06/533646006.db2.gz HYOLTOVJPJCVTO-QGZVFWFLSA-N 1 2 331.416 1.800 20 30 EDEDLO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)NCc1ccc(C#N)cc1 ZINC000267723240 139659346 /nfs/dbraw/zinc/65/93/46/139659346.db2.gz VQPRSZLVTPXYOR-XMMPIXPASA-N 1 2 344.440 1.901 20 30 EDEDLO C[C@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(C#N)cc1 ZINC000340145865 142282042 /nfs/dbraw/zinc/28/20/42/142282042.db2.gz CJTXUGIXHNBDNG-ZDUSSCGKSA-N 1 2 347.378 1.700 20 30 EDEDLO CC(C)OCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000347734678 143356146 /nfs/dbraw/zinc/35/61/46/143356146.db2.gz ZAJBGDNNDPHROG-UHFFFAOYSA-N 1 2 330.432 1.810 20 30 EDEDLO Cc1c([C@H]2[C@H]([NH2+]Cc3nc(C#N)cs3)CC(=O)N2C)cnn1C ZINC000352955129 149228408 /nfs/dbraw/zinc/22/84/08/149228408.db2.gz YHJISOBBCDHMRK-DOMZBBRYSA-N 1 2 330.417 1.118 20 30 EDEDLO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355081462 150108108 /nfs/dbraw/zinc/10/81/08/150108108.db2.gz OMJAKTSFLSAOPE-MRXNPFEDSA-N 1 2 341.459 1.722 20 30 EDEDLO CC(C)CN(C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)C1CC1 ZINC000355102781 150117769 /nfs/dbraw/zinc/11/77/69/150117769.db2.gz SDOVGUDWYWOXQW-UHFFFAOYSA-N 1 2 341.459 1.722 20 30 EDEDLO COCCC(=O)N1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000355658458 150352574 /nfs/dbraw/zinc/35/25/74/150352574.db2.gz KRSFAGBQGKXMTG-UHFFFAOYSA-N 1 2 347.415 1.126 20 30 EDEDLO CN1CCC[C@H]1[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000370025592 155286705 /nfs/dbraw/zinc/28/67/05/155286705.db2.gz FOVAAXBNOBPKPG-ZWKOTPCHSA-N 1 2 347.484 1.891 20 30 EDEDLO CN1CCC[C@H]1[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000370025592 155286709 /nfs/dbraw/zinc/28/67/09/155286709.db2.gz FOVAAXBNOBPKPG-ZWKOTPCHSA-N 1 2 347.484 1.891 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360395832 152020713 /nfs/dbraw/zinc/02/07/13/152020713.db2.gz PZTLXPCUSBLNEG-NHYWBVRUSA-N 1 2 326.356 1.285 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360395832 152020715 /nfs/dbraw/zinc/02/07/15/152020715.db2.gz PZTLXPCUSBLNEG-NHYWBVRUSA-N 1 2 326.356 1.285 20 30 EDEDLO C[C@@H](C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)c1cccc(C#N)c1 ZINC000360729576 152173216 /nfs/dbraw/zinc/17/32/16/152173216.db2.gz PVKOYWPNULCKLD-RHSMWYFYSA-N 1 2 337.427 1.911 20 30 EDEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)s1 ZINC000362960450 152865834 /nfs/dbraw/zinc/86/58/34/152865834.db2.gz NSRNQMZXQDYWLW-UHFFFAOYSA-N 1 2 328.397 1.781 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCN(CC(F)F)CC3)C2=O)cc1 ZINC000368033710 154378893 /nfs/dbraw/zinc/37/88/93/154378893.db2.gz BDGIUEYOQKLYRL-MRXNPFEDSA-N 1 2 348.397 1.936 20 30 EDEDLO CN(C)c1noc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000369192398 154913681 /nfs/dbraw/zinc/91/36/81/154913681.db2.gz FYGRZOYMEWBJHZ-UHFFFAOYSA-N 1 2 327.392 1.115 20 30 EDEDLO CN(C)c1noc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000369192398 154913684 /nfs/dbraw/zinc/91/36/84/154913684.db2.gz FYGRZOYMEWBJHZ-UHFFFAOYSA-N 1 2 327.392 1.115 20 30 EDEDLO CC(C)OC[C@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000372129576 156233966 /nfs/dbraw/zinc/23/39/66/156233966.db2.gz YCQCBRZIGISYAQ-SJLPKXTDSA-N 1 2 334.416 1.424 20 30 EDEDLO CC(C)OC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000372129576 156233967 /nfs/dbraw/zinc/23/39/67/156233967.db2.gz YCQCBRZIGISYAQ-SJLPKXTDSA-N 1 2 334.416 1.424 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1C ZINC000408040240 158248253 /nfs/dbraw/zinc/24/82/53/158248253.db2.gz FSPJJCMMVAZNQP-VXGBXAGGSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1C ZINC000408040240 158248254 /nfs/dbraw/zinc/24/82/54/158248254.db2.gz FSPJJCMMVAZNQP-VXGBXAGGSA-N 1 2 325.409 1.801 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2ccc(S(=O)(=O)CC)s2)nn1 ZINC000657453464 452257021 /nfs/dbraw/zinc/25/70/21/452257021.db2.gz ZKMUZQKQVCCQEG-UHFFFAOYSA-N 1 2 340.474 1.999 20 30 EDEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000451934493 287190634 /nfs/dbraw/zinc/19/06/34/287190634.db2.gz QQHPCOSJGYHHJE-CYBMUJFWSA-N 1 2 325.409 1.802 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000451934493 287190635 /nfs/dbraw/zinc/19/06/35/287190635.db2.gz QQHPCOSJGYHHJE-CYBMUJFWSA-N 1 2 325.409 1.802 20 30 EDEDLO CCS(=O)(=O)N(C)C1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301765521 270011456 /nfs/dbraw/zinc/01/14/56/270011456.db2.gz HEOWNVDQVRZVES-UHFFFAOYSA-N 1 2 336.461 1.820 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459342926 270013892 /nfs/dbraw/zinc/01/38/92/270013892.db2.gz HJHYCGYUQZLIPZ-UHFFFAOYSA-N 1 2 340.387 1.518 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c1 ZINC000528787728 270015636 /nfs/dbraw/zinc/01/56/36/270015636.db2.gz GZVSKMQXAABUAY-MRXNPFEDSA-N 1 2 337.383 1.507 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c1 ZINC000528787728 270015637 /nfs/dbraw/zinc/01/56/37/270015637.db2.gz GZVSKMQXAABUAY-MRXNPFEDSA-N 1 2 337.383 1.507 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284528962 266331631 /nfs/dbraw/zinc/33/16/31/266331631.db2.gz FJGPKLXBUJMZFU-RDJZCZTQSA-N 1 2 344.415 1.894 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284528962 266331634 /nfs/dbraw/zinc/33/16/34/266331634.db2.gz FJGPKLXBUJMZFU-RDJZCZTQSA-N 1 2 344.415 1.894 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H](C)[NH+]1C ZINC000339065511 267059185 /nfs/dbraw/zinc/05/91/85/267059185.db2.gz GDONUZKRDNCHOH-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@](=O)C1 ZINC000277359522 267060003 /nfs/dbraw/zinc/06/00/03/267060003.db2.gz GLMIVJRMPPZYQH-VNAOBRGMSA-N 1 2 345.468 1.754 20 30 EDEDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@](=O)C1 ZINC000277359522 267060006 /nfs/dbraw/zinc/06/00/06/267060006.db2.gz GLMIVJRMPPZYQH-VNAOBRGMSA-N 1 2 345.468 1.754 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000283768332 267168136 /nfs/dbraw/zinc/16/81/36/267168136.db2.gz CLXXUGWNMIEWMK-OLZOCXBDSA-N 1 2 325.372 1.137 20 30 EDEDLO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289426247 267191480 /nfs/dbraw/zinc/19/14/80/267191480.db2.gz NENIUXWRGUPZGP-ZFWWWQNUSA-N 1 2 337.445 1.352 20 30 EDEDLO C[C@H](O)C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289426247 267191484 /nfs/dbraw/zinc/19/14/84/267191484.db2.gz NENIUXWRGUPZGP-ZFWWWQNUSA-N 1 2 337.445 1.352 20 30 EDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(c2ccnc(C#N)c2)CCO1 ZINC000418929744 267299450 /nfs/dbraw/zinc/29/94/50/267299450.db2.gz ACVWJIOEFDRABC-MRXNPFEDSA-N 1 2 346.431 1.432 20 30 EDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(c2ccnc(C#N)c2)CCO1 ZINC000418929744 267299454 /nfs/dbraw/zinc/29/94/54/267299454.db2.gz ACVWJIOEFDRABC-MRXNPFEDSA-N 1 2 346.431 1.432 20 30 EDEDLO CN(Cc1cnc2c(C#N)cnn2c1)C(C)(C)C[NH+]1CCOCC1 ZINC000516867850 267322085 /nfs/dbraw/zinc/32/20/85/267322085.db2.gz VKVOPYBPPDTBCF-UHFFFAOYSA-N 1 2 328.420 1.144 20 30 EDEDLO C[C@H]1COCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000436212230 267894054 /nfs/dbraw/zinc/89/40/54/267894054.db2.gz UCDFSXIDMHBRKZ-MAUKXSAKSA-N 1 2 327.428 1.875 20 30 EDEDLO Cc1nn(C)c(N2CCN(C(=O)Nc3cc[nH+]cc3C)CC2)c1C#N ZINC000530353983 268090126 /nfs/dbraw/zinc/09/01/26/268090126.db2.gz QFPCVTUBPJYYEL-UHFFFAOYSA-N 1 2 339.403 1.080 20 30 EDEDLO Cc1nc(N2CCN(C(=O)COc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000274001877 268096093 /nfs/dbraw/zinc/09/60/93/268096093.db2.gz PKNPORGFRNXJHF-UHFFFAOYSA-N 1 2 337.383 1.384 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000531384574 268200017 /nfs/dbraw/zinc/20/00/17/268200017.db2.gz PHFMEMIIQKPFIN-HNNXBMFYSA-N 1 2 337.470 1.557 20 30 EDEDLO N#Cc1cccc(C#N)c1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000302491345 268235316 /nfs/dbraw/zinc/23/53/16/268235316.db2.gz ZBZJJCPDEINLBD-UHFFFAOYSA-N 1 2 337.427 1.564 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(OC(F)F)cn2)C(N)=O)cc1 ZINC000447027187 268263911 /nfs/dbraw/zinc/26/39/11/268263911.db2.gz CDMGWSNYGNMLCA-AWEZNQCLSA-N 1 2 332.310 1.871 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000428239186 268325257 /nfs/dbraw/zinc/32/52/57/268325257.db2.gz AWVDCZJSODELAG-UHFFFAOYSA-N 1 2 347.787 1.733 20 30 EDEDLO N#Cc1ncn(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)n1 ZINC000178415166 268333964 /nfs/dbraw/zinc/33/39/64/268333964.db2.gz YBTHHUIZUDWSEI-UHFFFAOYSA-N 1 2 347.382 1.988 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1cnc(C#N)cn1 ZINC000275515930 268354096 /nfs/dbraw/zinc/35/40/96/268354096.db2.gz CVDXMMSQFVKKSJ-ZFWWWQNUSA-N 1 2 329.383 1.131 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1cnc(C#N)cn1 ZINC000275515930 268354098 /nfs/dbraw/zinc/35/40/98/268354098.db2.gz CVDXMMSQFVKKSJ-ZFWWWQNUSA-N 1 2 329.383 1.131 20 30 EDEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1cccnc1C#N ZINC000277268545 273185238 /nfs/dbraw/zinc/18/52/38/273185238.db2.gz XRWOXRFFCJESKK-UHFFFAOYSA-N 1 2 347.444 1.813 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CCC(O)CC3)CC2)cc1 ZINC000280049233 273340227 /nfs/dbraw/zinc/34/02/27/273340227.db2.gz SVFRJDGTXQQYRX-UHFFFAOYSA-N 1 2 327.428 1.754 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000420990876 278146908 /nfs/dbraw/zinc/14/69/08/278146908.db2.gz VFZPGKUUYGUOII-XJKSGUPXSA-N 1 2 346.406 1.671 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000420990876 278146909 /nfs/dbraw/zinc/14/69/09/278146909.db2.gz VFZPGKUUYGUOII-XJKSGUPXSA-N 1 2 346.406 1.671 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000414455505 447308891 /nfs/dbraw/zinc/30/88/91/447308891.db2.gz AWLKUBSAMLQGMJ-GFCCVEGCSA-N 1 2 334.401 1.378 20 30 EDEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000448809503 447348234 /nfs/dbraw/zinc/34/82/34/447348234.db2.gz IYRXWAFCWIESRR-KXBFYZLASA-N 1 2 343.427 1.564 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000542718630 306057162 /nfs/dbraw/zinc/05/71/62/306057162.db2.gz SHNFNWLVXJKEPA-UHFFFAOYSA-N 1 2 334.807 1.233 20 30 EDEDLO N#CCOc1ccc(/C=C\C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000493717084 447375008 /nfs/dbraw/zinc/37/50/08/447375008.db2.gz CRYFZPYZCNBDBK-XSHSDMCLSA-N 1 2 335.354 1.963 20 30 EDEDLO N#CCc1ccc(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)cc1 ZINC000378271419 447412447 /nfs/dbraw/zinc/41/24/47/447412447.db2.gz IINPZRIUQAPAQN-KRWDZBQOSA-N 1 2 340.427 1.179 20 30 EDEDLO CCc1ncncc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000044315016 440834055 /nfs/dbraw/zinc/83/40/55/440834055.db2.gz VHVGGUAECJBMER-UHFFFAOYSA-N 1 2 335.411 1.869 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450231497 447437121 /nfs/dbraw/zinc/43/71/21/447437121.db2.gz JRQXVERTONTTSF-GFCCVEGCSA-N 1 2 343.387 1.256 20 30 EDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000081040905 441225278 /nfs/dbraw/zinc/22/52/78/441225278.db2.gz OAXVLHCSHLYBOD-OAHLLOKOSA-N 1 2 330.432 1.665 20 30 EDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000081040905 441225280 /nfs/dbraw/zinc/22/52/80/441225280.db2.gz OAXVLHCSHLYBOD-OAHLLOKOSA-N 1 2 330.432 1.665 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000016481819 441225835 /nfs/dbraw/zinc/22/58/35/441225835.db2.gz DSSQJYUXHGJEAL-UHFFFAOYSA-N 1 2 336.823 1.474 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000022921092 441288206 /nfs/dbraw/zinc/28/82/06/441288206.db2.gz CCTYCALYMXUGFD-UHFFFAOYSA-N 1 2 333.432 1.124 20 30 EDEDLO C=CCOc1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000082985905 441344542 /nfs/dbraw/zinc/34/45/42/441344542.db2.gz MXABRVQXBCVMIL-INIZCTEOSA-N 1 2 334.416 1.017 20 30 EDEDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000026958298 441391271 /nfs/dbraw/zinc/39/12/71/441391271.db2.gz VXSZGVJRSKZKRH-HNNXBMFYSA-N 1 2 337.445 1.193 20 30 EDEDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000026958298 441391276 /nfs/dbraw/zinc/39/12/76/441391276.db2.gz VXSZGVJRSKZKRH-HNNXBMFYSA-N 1 2 337.445 1.193 20 30 EDEDLO CC[N@@H+](CC(=O)NCc1cc(OC)c(OC)cc1OC)C[C@H](C)C#N ZINC000049982465 441368674 /nfs/dbraw/zinc/36/86/74/441368674.db2.gz XTQDMTNMYSYGMK-CYBMUJFWSA-N 1 2 349.431 1.810 20 30 EDEDLO CC[N@H+](CC(=O)NCc1cc(OC)c(OC)cc1OC)C[C@H](C)C#N ZINC000049982465 441368677 /nfs/dbraw/zinc/36/86/77/441368677.db2.gz XTQDMTNMYSYGMK-CYBMUJFWSA-N 1 2 349.431 1.810 20 30 EDEDLO CN(CCC#N)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000028084048 441426202 /nfs/dbraw/zinc/42/62/02/441426202.db2.gz SVPPPJOKGSRMTQ-CQSZACIVSA-N 1 2 333.417 1.189 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(NC(C)=O)c2C)CC1 ZINC000085271427 441431407 /nfs/dbraw/zinc/43/14/07/441431407.db2.gz VJWSHKKUMADTHJ-UHFFFAOYSA-N 1 2 328.416 1.143 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)nc1 ZINC000052357497 441447679 /nfs/dbraw/zinc/44/76/79/441447679.db2.gz MHDHMUQEVRJLLQ-UHFFFAOYSA-N 1 2 347.422 1.665 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000065682231 441477062 /nfs/dbraw/zinc/47/70/62/441477062.db2.gz WPOUFSQJANBRIH-GOSISDBHSA-N 1 2 347.463 1.464 20 30 EDEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447312 441459606 /nfs/dbraw/zinc/45/96/06/441459606.db2.gz OCEBTRAHMQEYHP-INIZCTEOSA-N 1 2 341.459 1.866 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)NC(C3CC3)C3CC3)CC2)c1 ZINC000029449041 441460209 /nfs/dbraw/zinc/46/02/09/441460209.db2.gz COCFMPNHQRKMFB-UHFFFAOYSA-N 1 2 339.443 1.380 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000075967470 441573176 /nfs/dbraw/zinc/57/31/76/441573176.db2.gz SVVLRAFJIWGNMD-UHFFFAOYSA-N 1 2 335.477 1.559 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000075967470 441573180 /nfs/dbraw/zinc/57/31/80/441573180.db2.gz SVVLRAFJIWGNMD-UHFFFAOYSA-N 1 2 335.477 1.559 20 30 EDEDLO C[C@@H]1C[C@H](C)CN(C(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)C1 ZINC000158215096 441706166 /nfs/dbraw/zinc/70/61/66/441706166.db2.gz XLCPEXNHCWHZPE-BETUJISGSA-N 1 2 331.416 1.763 20 30 EDEDLO CC[C@@H](C)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354478 441728175 /nfs/dbraw/zinc/72/81/75/441728175.db2.gz CRMXFSPJLGKFGU-HZPDHXFCSA-N 1 2 328.460 1.979 20 30 EDEDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354478 441728187 /nfs/dbraw/zinc/72/81/87/441728187.db2.gz CRMXFSPJLGKFGU-HZPDHXFCSA-N 1 2 328.460 1.979 20 30 EDEDLO C=C(Cl)CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000077790490 441861408 /nfs/dbraw/zinc/86/14/08/441861408.db2.gz YJANLQGAYNDYPM-CQSZACIVSA-N 1 2 342.871 1.467 20 30 EDEDLO C=C[C@@H](CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000122872093 441866736 /nfs/dbraw/zinc/86/67/36/441866736.db2.gz CHPLRLVYWFIGFI-FUHWJXTLSA-N 1 2 332.444 1.498 20 30 EDEDLO N#Cc1cccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000068686951 441839584 /nfs/dbraw/zinc/83/95/84/441839584.db2.gz SDJWPMWEPUCPAW-UHFFFAOYSA-N 1 2 334.379 1.629 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccccc2OCCOC)CC1 ZINC000122243931 441842126 /nfs/dbraw/zinc/84/21/26/441842126.db2.gz PVRGKCGRUOFMTA-UHFFFAOYSA-N 1 2 347.459 1.132 20 30 EDEDLO CC(C)(CNC(=O)NCc1cc(C#N)ccc1F)[NH+]1CCOCC1 ZINC000174508399 441932340 /nfs/dbraw/zinc/93/23/40/441932340.db2.gz BWAYTYHTKFFLQW-UHFFFAOYSA-N 1 2 334.395 1.607 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000119562221 441940914 /nfs/dbraw/zinc/94/09/14/441940914.db2.gz OKYLKSDCQJYTSP-MRXNPFEDSA-N 1 2 337.464 1.124 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000119562221 441940915 /nfs/dbraw/zinc/94/09/15/441940915.db2.gz OKYLKSDCQJYTSP-MRXNPFEDSA-N 1 2 337.464 1.124 20 30 EDEDLO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1noc(C2CCOCC2)n1 ZINC000162697691 442116384 /nfs/dbraw/zinc/11/63/84/442116384.db2.gz WYQVSDHQMYAFHI-UHFFFAOYSA-N 1 2 345.407 1.205 20 30 EDEDLO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1noc(C2CCOCC2)n1 ZINC000162697691 442116387 /nfs/dbraw/zinc/11/63/87/442116387.db2.gz WYQVSDHQMYAFHI-UHFFFAOYSA-N 1 2 345.407 1.205 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3nc[nH]n3)CC2)cc1 ZINC000176782841 442257505 /nfs/dbraw/zinc/25/75/05/442257505.db2.gz JOUDWTQCSLDVJN-UHFFFAOYSA-N 1 2 338.415 1.343 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3nc[nH]n3)CC2)cc1 ZINC000176782841 442257508 /nfs/dbraw/zinc/25/75/08/442257508.db2.gz JOUDWTQCSLDVJN-UHFFFAOYSA-N 1 2 338.415 1.343 20 30 EDEDLO N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000154125916 442322787 /nfs/dbraw/zinc/32/27/87/442322787.db2.gz YOSLOUVGQZJNKZ-INIZCTEOSA-N 1 2 349.394 1.677 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000130593250 442350799 /nfs/dbraw/zinc/35/07/99/442350799.db2.gz ZZBUNWLTYVNGPQ-AWEZNQCLSA-N 1 2 349.862 1.604 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155372864 442392486 /nfs/dbraw/zinc/39/24/86/442392486.db2.gz QGEIQBUAQPUZBT-CQSZACIVSA-N 1 2 345.369 1.925 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155372864 442392490 /nfs/dbraw/zinc/39/24/90/442392490.db2.gz QGEIQBUAQPUZBT-CQSZACIVSA-N 1 2 345.369 1.925 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178771735 442480893 /nfs/dbraw/zinc/48/08/93/442480893.db2.gz LOGDMKMBPOZCJC-AWEZNQCLSA-N 1 2 348.422 1.344 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000192228433 442617249 /nfs/dbraw/zinc/61/72/49/442617249.db2.gz FVDFCCCOWWIMIW-UHFFFAOYSA-N 1 2 343.836 1.094 20 30 EDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000192228433 442617258 /nfs/dbraw/zinc/61/72/58/442617258.db2.gz FVDFCCCOWWIMIW-UHFFFAOYSA-N 1 2 343.836 1.094 20 30 EDEDLO C=C(Cl)CNC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000265486703 442791360 /nfs/dbraw/zinc/79/13/60/442791360.db2.gz UHBLRUCVIDDXDH-UHFFFAOYSA-N 1 2 325.844 1.617 20 30 EDEDLO CC(C)[C@@H](CNC(=O)c1ccc(C#N)c(O)c1)[NH+]1CCN(C)CC1 ZINC000188577524 442765089 /nfs/dbraw/zinc/76/50/89/442765089.db2.gz PAJOBFOKKRCVDW-MRXNPFEDSA-N 1 2 330.432 1.266 20 30 EDEDLO CC(C)[C@@H](CNC(=O)c1ccc(C#N)c(O)c1)N1CC[NH+](C)CC1 ZINC000188577524 442765091 /nfs/dbraw/zinc/76/50/91/442765091.db2.gz PAJOBFOKKRCVDW-MRXNPFEDSA-N 1 2 330.432 1.266 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(c2nnc(CC)c(CC)c2C#N)CC1 ZINC000268196791 442895558 /nfs/dbraw/zinc/89/55/58/442895558.db2.gz XTKLLUJSULCDIU-UHFFFAOYSA-N 1 2 344.463 1.121 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(c2nnc(CC)c(CC)c2C#N)CC1 ZINC000268196791 442895560 /nfs/dbraw/zinc/89/55/60/442895560.db2.gz XTKLLUJSULCDIU-UHFFFAOYSA-N 1 2 344.463 1.121 20 30 EDEDLO C=CCN(CC=C)C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000194992417 442974008 /nfs/dbraw/zinc/97/40/08/442974008.db2.gz FPUFMZBAEWLBJE-UHFFFAOYSA-N 1 2 337.464 1.640 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c(OC)c1 ZINC000249537028 442983718 /nfs/dbraw/zinc/98/37/18/442983718.db2.gz CSXYRGMFPYEKIJ-GOEBONIOSA-N 1 2 348.443 1.326 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCN(C)C(=O)[C@@H]2C)c(OC)c1 ZINC000249537028 442983723 /nfs/dbraw/zinc/98/37/23/442983723.db2.gz CSXYRGMFPYEKIJ-GOEBONIOSA-N 1 2 348.443 1.326 20 30 EDEDLO C=CCN(CC=C)C(=O)CN1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000249826592 443006245 /nfs/dbraw/zinc/00/62/45/443006245.db2.gz QRTWGMVOSXIEFW-KZNAEPCWSA-N 1 2 335.492 1.761 20 30 EDEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000268586138 443042910 /nfs/dbraw/zinc/04/29/10/443042910.db2.gz DRCLCYPVMHMUQB-MRXNPFEDSA-N 1 2 325.368 1.643 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000185273830 443174738 /nfs/dbraw/zinc/17/47/38/443174738.db2.gz GPCJVEYLNMNNML-HUUCEWRRSA-N 1 2 332.379 1.885 20 30 EDEDLO N#Cc1c(Cl)cccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000266621216 443189123 /nfs/dbraw/zinc/18/91/23/443189123.db2.gz SWDNLLDPJFMHHQ-UHFFFAOYSA-N 1 2 332.835 1.956 20 30 EDEDLO Cc1nc(N2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000185430447 443198238 /nfs/dbraw/zinc/19/82/38/443198238.db2.gz ACTAMAJYDHZYGK-UHFFFAOYSA-N 1 2 335.411 1.938 20 30 EDEDLO COc1ccccc1C[N@H+](CCO)CC(=O)N(CCC#N)CCC#N ZINC000264051367 443246536 /nfs/dbraw/zinc/24/65/36/443246536.db2.gz IAATZDFDGZVIQQ-UHFFFAOYSA-N 1 2 344.415 1.145 20 30 EDEDLO COc1ccccc1C[N@@H+](CCO)CC(=O)N(CCC#N)CCC#N ZINC000264051367 443246540 /nfs/dbraw/zinc/24/65/40/443246540.db2.gz IAATZDFDGZVIQQ-UHFFFAOYSA-N 1 2 344.415 1.145 20 30 EDEDLO CC(C)c1ccnc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000185863906 443271266 /nfs/dbraw/zinc/27/12/66/443271266.db2.gz KWTOAXVOAFFZRH-HNNXBMFYSA-N 1 2 344.463 1.483 20 30 EDEDLO CC[N@H+](CCC#N)C[C@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000267234156 443387932 /nfs/dbraw/zinc/38/79/32/443387932.db2.gz WJDDKXVJLPNNGH-AWEZNQCLSA-N 1 2 336.388 1.457 20 30 EDEDLO CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000267234156 443387937 /nfs/dbraw/zinc/38/79/37/443387937.db2.gz WJDDKXVJLPNNGH-AWEZNQCLSA-N 1 2 336.388 1.457 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000272519474 443348633 /nfs/dbraw/zinc/34/86/33/443348633.db2.gz JTYHCZGEKFIGLO-OLZOCXBDSA-N 1 2 341.371 1.317 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278898606 443472890 /nfs/dbraw/zinc/47/28/90/443472890.db2.gz RJRLEMGRLWKQBX-KGLIPLIRSA-N 1 2 334.395 1.824 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278898606 443472893 /nfs/dbraw/zinc/47/28/93/443472893.db2.gz RJRLEMGRLWKQBX-KGLIPLIRSA-N 1 2 334.395 1.824 20 30 EDEDLO C=CC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000271152235 443492689 /nfs/dbraw/zinc/49/26/89/443492689.db2.gz LHVODHSAPISMBF-ZDUSSCGKSA-N 1 2 339.413 1.599 20 30 EDEDLO C=CC[N@H+](Cc1cc2c(c(OC)c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000271152235 443492695 /nfs/dbraw/zinc/49/26/95/443492695.db2.gz LHVODHSAPISMBF-ZDUSSCGKSA-N 1 2 339.413 1.599 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000267425515 443453586 /nfs/dbraw/zinc/45/35/86/443453586.db2.gz UAMXITPTGUCYIV-CYBMUJFWSA-N 1 2 337.383 1.935 20 30 EDEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC1CCS(=O)(=O)CC1 ZINC000273613511 443583439 /nfs/dbraw/zinc/58/34/39/443583439.db2.gz MNSZILNXCYERAO-UHFFFAOYSA-N 1 2 330.837 1.996 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000273653640 443584402 /nfs/dbraw/zinc/58/44/02/443584402.db2.gz ZIGPSFZKMIVDCW-HNNXBMFYSA-N 1 2 330.432 1.517 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c(Br)c1 ZINC000274882077 443613490 /nfs/dbraw/zinc/61/34/90/443613490.db2.gz NKUVQJPCGBITNP-UHFFFAOYSA-N 1 2 345.200 1.962 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)c(Br)c1 ZINC000274882077 443613495 /nfs/dbraw/zinc/61/34/95/443613495.db2.gz NKUVQJPCGBITNP-UHFFFAOYSA-N 1 2 345.200 1.962 20 30 EDEDLO N#Cc1ccsc1NC(=O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000274903149 443614714 /nfs/dbraw/zinc/61/47/14/443614714.db2.gz QKGFRIXOAHHUIF-UHFFFAOYSA-N 1 2 343.412 1.962 20 30 EDEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000283754097 443707545 /nfs/dbraw/zinc/70/75/45/443707545.db2.gz AEIWCBDHPPCYOF-GOEBONIOSA-N 1 2 346.431 1.192 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000286618688 443718791 /nfs/dbraw/zinc/71/87/91/443718791.db2.gz HVSWTQNIKFROFJ-QZTJIDSGSA-N 1 2 328.460 1.166 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000286618688 443718792 /nfs/dbraw/zinc/71/87/92/443718792.db2.gz HVSWTQNIKFROFJ-QZTJIDSGSA-N 1 2 328.460 1.166 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1=O ZINC000280988903 443790707 /nfs/dbraw/zinc/79/07/07/443790707.db2.gz AGURDCSMGAMVQB-KRWDZBQOSA-N 1 2 338.411 1.790 20 30 EDEDLO C=CCc1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc(OC)c1OC ZINC000298367318 443755455 /nfs/dbraw/zinc/75/54/55/443755455.db2.gz SPZKLTNUCHNCOO-CQSZACIVSA-N 1 2 348.443 1.883 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)[C@@H]2CCCO2)c(OC)c1 ZINC000284105007 443766154 /nfs/dbraw/zinc/76/61/54/443766154.db2.gz LJKOAFKNYKRKLF-GWCFXTLKSA-N 1 2 337.376 1.499 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284293020 443771507 /nfs/dbraw/zinc/77/15/07/443771507.db2.gz OCYCPOXHGUTNDY-WCQYABFASA-N 1 2 341.371 1.441 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284293020 443771513 /nfs/dbraw/zinc/77/15/13/443771513.db2.gz OCYCPOXHGUTNDY-WCQYABFASA-N 1 2 341.371 1.441 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](COc2ccccc2)OC(C)(C)C1 ZINC000284551827 443778750 /nfs/dbraw/zinc/77/87/50/443778750.db2.gz MRLMCTPHXZSWIJ-WBVHZDCISA-N 1 2 330.428 1.683 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](COc2ccccc2)OC(C)(C)C1 ZINC000284551827 443778756 /nfs/dbraw/zinc/77/87/56/443778756.db2.gz MRLMCTPHXZSWIJ-WBVHZDCISA-N 1 2 330.428 1.683 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292172261 443780347 /nfs/dbraw/zinc/78/03/47/443780347.db2.gz LYSPKAVVSDTXNR-WCQYABFASA-N 1 2 329.360 1.697 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292172261 443780352 /nfs/dbraw/zinc/78/03/52/443780352.db2.gz LYSPKAVVSDTXNR-WCQYABFASA-N 1 2 329.360 1.697 20 30 EDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000298620312 443819420 /nfs/dbraw/zinc/81/94/20/443819420.db2.gz URVWONHOSNIEKY-RDJZCZTQSA-N 1 2 327.428 1.234 20 30 EDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000298620312 443819421 /nfs/dbraw/zinc/81/94/21/443819421.db2.gz URVWONHOSNIEKY-RDJZCZTQSA-N 1 2 327.428 1.234 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)C1=O ZINC000281151121 443832587 /nfs/dbraw/zinc/83/25/87/443832587.db2.gz BHNHKVNTSMBJFP-AWEZNQCLSA-N 1 2 347.463 1.272 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000277040909 443892434 /nfs/dbraw/zinc/89/24/34/443892434.db2.gz PFPLPUSDPWRAKQ-UHFFFAOYSA-N 1 2 343.412 1.427 20 30 EDEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)C(C)(C)C ZINC000288631531 443939581 /nfs/dbraw/zinc/93/95/81/443939581.db2.gz PKAAOLGERLVVAJ-HNNXBMFYSA-N 1 2 330.432 1.765 20 30 EDEDLO C=CCN(C(=O)Cc1cn2ccccc2[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000299133194 443964097 /nfs/dbraw/zinc/96/40/97/443964097.db2.gz DTBPHXFLXAOLNU-CQSZACIVSA-N 1 2 333.413 1.079 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285407532 443973881 /nfs/dbraw/zinc/97/38/81/443973881.db2.gz UONZFOXCSFKWEP-KSSFIOAISA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285407532 443973882 /nfs/dbraw/zinc/97/38/82/443973882.db2.gz UONZFOXCSFKWEP-KSSFIOAISA-N 1 2 329.400 1.767 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000281719457 443987882 /nfs/dbraw/zinc/98/78/82/443987882.db2.gz FBVODVLMTSWAAT-QZTJIDSGSA-N 1 2 344.459 1.890 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285360826 443955909 /nfs/dbraw/zinc/95/59/09/443955909.db2.gz CMUACWONOPHBLH-UNEWFSDZSA-N 1 2 344.415 1.914 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285360826 443955912 /nfs/dbraw/zinc/95/59/12/443955912.db2.gz CMUACWONOPHBLH-UNEWFSDZSA-N 1 2 344.415 1.914 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000299537316 444073099 /nfs/dbraw/zinc/07/30/99/444073099.db2.gz PRFBMRIPOVVABW-KRWDZBQOSA-N 1 2 329.400 1.065 20 30 EDEDLO COC(=O)c1cccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000299486704 444059372 /nfs/dbraw/zinc/05/93/72/444059372.db2.gz BFIQRZOPVZPQIQ-UHFFFAOYSA-N 1 2 345.399 1.161 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000294477188 444118426 /nfs/dbraw/zinc/11/84/26/444118426.db2.gz FRUMGWKJAXFNCW-HOTGVXAUSA-N 1 2 330.428 1.939 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(CCc3ccccc3)n2)CC1 ZINC000294519163 444120494 /nfs/dbraw/zinc/12/04/94/444120494.db2.gz KQSSEPNQNGSCQK-UHFFFAOYSA-N 1 2 336.439 1.907 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289491048 444157770 /nfs/dbraw/zinc/15/77/70/444157770.db2.gz SOYKJYQEJSQRBR-AAEUAGOBSA-N 1 2 340.387 1.176 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289491048 444157772 /nfs/dbraw/zinc/15/77/72/444157772.db2.gz SOYKJYQEJSQRBR-AAEUAGOBSA-N 1 2 340.387 1.176 20 30 EDEDLO C=CCOc1ccc(CC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000296241609 444215350 /nfs/dbraw/zinc/21/53/50/444215350.db2.gz XPCIJRCRTPNPFU-MSOLQXFVSA-N 1 2 330.428 1.725 20 30 EDEDLO C=CCOc1ccc(CC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000296241609 444215354 /nfs/dbraw/zinc/21/53/54/444215354.db2.gz XPCIJRCRTPNPFU-MSOLQXFVSA-N 1 2 330.428 1.725 20 30 EDEDLO CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCCn2cc[nH+]c2)s1 ZINC000296075188 444203056 /nfs/dbraw/zinc/20/30/56/444203056.db2.gz RMBPOMWPRZLEDU-UHFFFAOYSA-N 1 2 345.428 1.869 20 30 EDEDLO CCC(=O)CCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000290183850 444252084 /nfs/dbraw/zinc/25/20/84/444252084.db2.gz ZLGUYZAHCJEPJO-UHFFFAOYSA-N 1 2 349.456 1.624 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ncc(Br)cc1C#N ZINC000297274034 444279942 /nfs/dbraw/zinc/27/99/42/444279942.db2.gz WZBVXUKHXBGHKQ-NSHDSACASA-N 1 2 338.253 1.764 20 30 EDEDLO CO/N=C/C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000290447314 444282086 /nfs/dbraw/zinc/28/20/86/444282086.db2.gz MDQDYKMTIKNLSU-PJQLUOCWSA-N 1 2 325.166 1.654 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000339989680 444349454 /nfs/dbraw/zinc/34/94/54/444349454.db2.gz SUSGZQBLKOIKTF-MRXNPFEDSA-N 1 2 339.480 1.274 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340125957 444362767 /nfs/dbraw/zinc/36/27/67/444362767.db2.gz PISPOXZZFPAPCT-UHFFFAOYSA-N 1 2 326.400 1.582 20 30 EDEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCNC2=O)ccc1Cl ZINC000340225575 444371713 /nfs/dbraw/zinc/37/17/13/444371713.db2.gz JTGNPTZZGUTCPN-HNNXBMFYSA-N 1 2 348.834 1.715 20 30 EDEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCNC2=O)ccc1Cl ZINC000340225575 444371718 /nfs/dbraw/zinc/37/17/18/444371718.db2.gz JTGNPTZZGUTCPN-HNNXBMFYSA-N 1 2 348.834 1.715 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000297804483 444336822 /nfs/dbraw/zinc/33/68/22/444336822.db2.gz NMWZNSCKZDKUNW-MRXNPFEDSA-N 1 2 344.459 1.711 20 30 EDEDLO CCn1cnnc1C1CC[NH+]([C@@H](C)C(=O)Nc2ncccn2)CC1 ZINC000328919522 444402814 /nfs/dbraw/zinc/40/28/14/444402814.db2.gz SNNVDABSCKKBSW-LBPRGKRZSA-N 1 2 329.408 1.944 20 30 EDEDLO CCOC(=O)[C@](C)(O)C[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000331064021 444380507 /nfs/dbraw/zinc/38/05/07/444380507.db2.gz PMJYKNZXXSZLMW-QGZVFWFLSA-N 1 2 341.452 1.165 20 30 EDEDLO CC(=O)N1CC[C@@H](CN(C)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000328871665 444383410 /nfs/dbraw/zinc/38/34/10/444383410.db2.gz YKKPRJSJMMLXEJ-HNNXBMFYSA-N 1 2 329.404 1.549 20 30 EDEDLO O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328907893 444397846 /nfs/dbraw/zinc/39/78/46/444397846.db2.gz CMMPWOQRLBYUSM-OAHLLOKOSA-N 1 2 341.415 1.834 20 30 EDEDLO CCN1CCN(C(=O)NC[C@@H]2CCCCO2)C[C@@H]1c1[nH+]ccn1C ZINC000328625459 444399439 /nfs/dbraw/zinc/39/94/39/444399439.db2.gz KTWVUZGQIJGMIE-LSDHHAIUSA-N 1 2 335.452 1.582 20 30 EDEDLO O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000328752757 444449801 /nfs/dbraw/zinc/44/98/01/444449801.db2.gz RPWAQKNLHXERCB-UONOGXRCSA-N 1 2 336.436 1.349 20 30 EDEDLO Cc1noc([C@@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000329032529 444452707 /nfs/dbraw/zinc/45/27/07/444452707.db2.gz LTHJPUIXCZRXEJ-OLZOCXBDSA-N 1 2 343.412 1.906 20 30 EDEDLO Cc1noc([C@@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000329032529 444452709 /nfs/dbraw/zinc/45/27/09/444452709.db2.gz LTHJPUIXCZRXEJ-OLZOCXBDSA-N 1 2 343.412 1.906 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ncc(CC)s2)CC1 ZINC000331264822 444460128 /nfs/dbraw/zinc/46/01/28/444460128.db2.gz BAWAGVAOJSXKME-NSHDSACASA-N 1 2 339.465 1.266 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000331341340 444467639 /nfs/dbraw/zinc/46/76/39/444467639.db2.gz SOOFNIQLOQYZKY-WQGACYEGSA-N 1 2 335.408 1.398 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000331341340 444467642 /nfs/dbraw/zinc/46/76/42/444467642.db2.gz SOOFNIQLOQYZKY-WQGACYEGSA-N 1 2 335.408 1.398 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000331341340 444467644 /nfs/dbraw/zinc/46/76/44/444467644.db2.gz SOOFNIQLOQYZKY-WQGACYEGSA-N 1 2 335.408 1.398 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000331341340 444467647 /nfs/dbraw/zinc/46/76/47/444467647.db2.gz SOOFNIQLOQYZKY-WQGACYEGSA-N 1 2 335.408 1.398 20 30 EDEDLO CCN1CCOC[C@@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000329091689 444469802 /nfs/dbraw/zinc/46/98/02/444469802.db2.gz WZQSXYKMHFGCOK-GDBMZVCRSA-N 1 2 348.447 1.484 20 30 EDEDLO CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1=O ZINC000328681919 444427567 /nfs/dbraw/zinc/42/75/67/444427567.db2.gz OLAPZFBHZYKZAN-AZOIQLNYSA-N 1 2 338.411 1.991 20 30 EDEDLO CC(C)N1CC[C@H]([N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1=O ZINC000328681919 444427568 /nfs/dbraw/zinc/42/75/68/444427568.db2.gz OLAPZFBHZYKZAN-AZOIQLNYSA-N 1 2 338.411 1.991 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328686756 444429369 /nfs/dbraw/zinc/42/93/69/444429369.db2.gz GLVUHIKQDAXNSP-ZIAGYGMSSA-N 1 2 338.452 1.595 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331176443 444431887 /nfs/dbraw/zinc/43/18/87/444431887.db2.gz KCELYWDBFWITBO-CXAGYDPISA-N 1 2 330.436 1.293 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331176443 444431892 /nfs/dbraw/zinc/43/18/92/444431892.db2.gz KCELYWDBFWITBO-CXAGYDPISA-N 1 2 330.436 1.293 20 30 EDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)N(C)CCC#N ZINC000331190470 444437628 /nfs/dbraw/zinc/43/76/28/444437628.db2.gz QKULUPUCVFBXTO-ZDUSSCGKSA-N 1 2 325.438 1.520 20 30 EDEDLO CC1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCOCC1 ZINC000329120485 444477237 /nfs/dbraw/zinc/47/72/37/444477237.db2.gz KFAMWWKDANGTLC-OAHLLOKOSA-N 1 2 325.453 1.514 20 30 EDEDLO CC(C)[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)CCO1 ZINC000329143030 444483043 /nfs/dbraw/zinc/48/30/43/444483043.db2.gz LTNCFYUBWXJSPC-CABCVRRESA-N 1 2 327.469 1.804 20 30 EDEDLO CC(C)[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)CCO1 ZINC000329143030 444483046 /nfs/dbraw/zinc/48/30/46/444483046.db2.gz LTNCFYUBWXJSPC-CABCVRRESA-N 1 2 327.469 1.804 20 30 EDEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1(C)C ZINC000329188198 444495764 /nfs/dbraw/zinc/49/57/64/444495764.db2.gz BLXHLOKTRXODED-FXUDXRNXSA-N 1 2 339.480 1.757 20 30 EDEDLO CC(C)N(C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1)C(C)C ZINC000580288237 322031079 /nfs/dbraw/zinc/03/10/79/322031079.db2.gz XYBURIOUTBLPEH-UHFFFAOYSA-N 1 2 329.448 1.721 20 30 EDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000332160693 444503083 /nfs/dbraw/zinc/50/30/83/444503083.db2.gz YSNBXMZNHMPHJD-MSOLQXFVSA-N 1 2 342.443 1.116 20 30 EDEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000332160693 444503086 /nfs/dbraw/zinc/50/30/86/444503086.db2.gz YSNBXMZNHMPHJD-MSOLQXFVSA-N 1 2 342.443 1.116 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N1CCCC[C@@H]1c1cc[nH]n1)[NH+]1CCOCC1 ZINC000329237171 444509469 /nfs/dbraw/zinc/50/94/69/444509469.db2.gz KBMIUJPIAVTAEF-SQWLQELKSA-N 1 2 335.452 1.960 20 30 EDEDLO C[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332381812 444512670 /nfs/dbraw/zinc/51/26/70/444512670.db2.gz VFVPVZPLXZAMRZ-GJZGRUSLSA-N 1 2 334.464 1.518 20 30 EDEDLO C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)N1CCCCC1=O ZINC000329269680 444517376 /nfs/dbraw/zinc/51/73/76/444517376.db2.gz FGFNJQGTJSESRW-GDBMZVCRSA-N 1 2 337.464 1.845 20 30 EDEDLO C[C@H](CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)N1CCCCC1=O ZINC000329269680 444517379 /nfs/dbraw/zinc/51/73/79/444517379.db2.gz FGFNJQGTJSESRW-GDBMZVCRSA-N 1 2 337.464 1.845 20 30 EDEDLO C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCO1 ZINC000329270854 444517470 /nfs/dbraw/zinc/51/74/70/444517470.db2.gz IYEZFTJWPGAPPD-GDBMZVCRSA-N 1 2 337.464 1.702 20 30 EDEDLO C=C[C@H](C)NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000340816283 444522776 /nfs/dbraw/zinc/52/27/76/444522776.db2.gz HOGIIRLZTSWDAW-HNNXBMFYSA-N 1 2 344.459 1.453 20 30 EDEDLO Cc1nnc2n1C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CC2 ZINC000329298159 444525597 /nfs/dbraw/zinc/52/55/97/444525597.db2.gz UKLNGFCJKXBCEW-GOEBONIOSA-N 1 2 347.463 1.749 20 30 EDEDLO Cc1nnc2n1C[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)CC2 ZINC000329298159 444525602 /nfs/dbraw/zinc/52/56/02/444525602.db2.gz UKLNGFCJKXBCEW-GOEBONIOSA-N 1 2 347.463 1.749 20 30 EDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000332685733 444527091 /nfs/dbraw/zinc/52/70/91/444527091.db2.gz SLCQLHOATSMCSJ-CQSZACIVSA-N 1 2 345.790 1.666 20 30 EDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000332685733 444527094 /nfs/dbraw/zinc/52/70/94/444527094.db2.gz SLCQLHOATSMCSJ-CQSZACIVSA-N 1 2 345.790 1.666 20 30 EDEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)[nH]1 ZINC000329424776 444574720 /nfs/dbraw/zinc/57/47/20/444574720.db2.gz GOPBTZJGTHFOHU-HNNXBMFYSA-N 1 2 344.463 1.977 20 30 EDEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)[nH]1 ZINC000329424776 444574725 /nfs/dbraw/zinc/57/47/25/444574725.db2.gz GOPBTZJGTHFOHU-HNNXBMFYSA-N 1 2 344.463 1.977 20 30 EDEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n1 ZINC000329424776 444574732 /nfs/dbraw/zinc/57/47/32/444574732.db2.gz GOPBTZJGTHFOHU-HNNXBMFYSA-N 1 2 344.463 1.977 20 30 EDEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n1 ZINC000329424776 444574737 /nfs/dbraw/zinc/57/47/37/444574737.db2.gz GOPBTZJGTHFOHU-HNNXBMFYSA-N 1 2 344.463 1.977 20 30 EDEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n[nH]1 ZINC000329424776 444574740 /nfs/dbraw/zinc/57/47/40/444574740.db2.gz GOPBTZJGTHFOHU-HNNXBMFYSA-N 1 2 344.463 1.977 20 30 EDEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n[nH]1 ZINC000329424776 444574744 /nfs/dbraw/zinc/57/47/44/444574744.db2.gz GOPBTZJGTHFOHU-HNNXBMFYSA-N 1 2 344.463 1.977 20 30 EDEDLO O=C(CN1CCn2cc[nH+]c2C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000329332878 444538495 /nfs/dbraw/zinc/53/84/95/444538495.db2.gz JXAJTYFJBBPXCA-UHFFFAOYSA-N 1 2 343.343 1.630 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)Cn1cccnc1=O)C2 ZINC000329477922 444596657 /nfs/dbraw/zinc/59/66/57/444596657.db2.gz CCCXLRIWOPEJMV-GFCCVEGCSA-N 1 2 329.404 1.709 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000332958700 444611177 /nfs/dbraw/zinc/61/11/77/444611177.db2.gz GYYWZQVRGZCBMV-RVKKMQEKSA-N 1 2 335.448 1.597 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000332958700 444611181 /nfs/dbraw/zinc/61/11/81/444611181.db2.gz GYYWZQVRGZCBMV-RVKKMQEKSA-N 1 2 335.448 1.597 20 30 EDEDLO Cc1nc(N2CCN(C(=O)N[C@H](C)[C@@H]3CCCOC3)CC2)cc[nH+]1 ZINC000329516980 444611286 /nfs/dbraw/zinc/61/12/86/444611286.db2.gz MXCZAEIDYKDALE-UKRRQHHQSA-N 1 2 333.436 1.636 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000329611509 444648623 /nfs/dbraw/zinc/64/86/23/444648623.db2.gz OBYRWOADXLWZAF-FZKCQIBNSA-N 1 2 339.480 1.899 20 30 EDEDLO [O-]C(NC1CCN(CC(F)(F)F)CC1)=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329632134 444658025 /nfs/dbraw/zinc/65/80/25/444658025.db2.gz WDRGFAJLFIJDAM-NSHDSACASA-N 1 2 345.369 1.797 20 30 EDEDLO [O-]C(N[C@H]1CCc2[nH]c[nH+]c2C1)=[NH+]C1CCN(CC(F)(F)F)CC1 ZINC000329632134 444658030 /nfs/dbraw/zinc/65/80/30/444658030.db2.gz WDRGFAJLFIJDAM-NSHDSACASA-N 1 2 345.369 1.797 20 30 EDEDLO C[C@@H](C#N)CN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC000338384969 444666549 /nfs/dbraw/zinc/66/65/49/444666549.db2.gz QVJUDBCAFKWHSR-HNNXBMFYSA-N 1 2 327.432 1.354 20 30 EDEDLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)Nc1ccc2c(c1)OCCCO2 ZINC000329663839 444671817 /nfs/dbraw/zinc/67/18/17/444671817.db2.gz JPLSPRXEDGRKGH-OAHLLOKOSA-N 1 2 347.415 1.452 20 30 EDEDLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)Nc1ccc2c(c1)OCCCO2 ZINC000329663839 444671819 /nfs/dbraw/zinc/67/18/19/444671819.db2.gz JPLSPRXEDGRKGH-OAHLLOKOSA-N 1 2 347.415 1.452 20 30 EDEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1C[C@@]12CCOC2 ZINC000329679508 444676916 /nfs/dbraw/zinc/67/69/16/444676916.db2.gz WAYBFSZTGLLQDM-NUEKZKHPSA-N 1 2 326.462 1.577 20 30 EDEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1C[C@]12CCOC2 ZINC000329679507 444677057 /nfs/dbraw/zinc/67/70/57/444677057.db2.gz WAYBFSZTGLLQDM-CWRNSKLLSA-N 1 2 326.462 1.577 20 30 EDEDLO CO[C@@]1(CNC(=O)c2ccccc2C[NH+]2CCOCC2)CCOC1 ZINC000329691646 444681099 /nfs/dbraw/zinc/68/10/99/444681099.db2.gz ZSWZHPYSDQGAOX-GOSISDBHSA-N 1 2 334.416 1.629 20 30 EDEDLO [O-]C(=[NH+]CCc1nnc2n1CCCCC2)N1CCn2c[nH+]cc2C1 ZINC000329597317 444642353 /nfs/dbraw/zinc/64/23/53/444642353.db2.gz IZHDLEHZPADQSM-UHFFFAOYSA-N 1 2 329.408 1.173 20 30 EDEDLO O=C(NCCc1nnc2n1CCCCC2)N1CCn2c[nH+]cc2C1 ZINC000329597317 444642356 /nfs/dbraw/zinc/64/23/56/444642356.db2.gz IZHDLEHZPADQSM-UHFFFAOYSA-N 1 2 329.408 1.173 20 30 EDEDLO C[C@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)n1cnc(C#N)n1 ZINC000342458125 444699537 /nfs/dbraw/zinc/69/95/37/444699537.db2.gz MOXVNBBWHSKTKI-GFCCVEGCSA-N 1 2 325.376 1.022 20 30 EDEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CC[S@@](=O)C1 ZINC000329992446 444802998 /nfs/dbraw/zinc/80/29/98/444802998.db2.gz KNHIJBWQSLJHTF-PSLXWICFSA-N 1 2 336.461 1.597 20 30 EDEDLO Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[S@](=O)C2)CC1 ZINC000329998053 444805263 /nfs/dbraw/zinc/80/52/63/444805263.db2.gz RQPHTOHQWYJJDC-MWTRTKDXSA-N 1 2 335.473 1.548 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3nc(C(F)(F)F)cn3c2)C1 ZINC000329960997 444788711 /nfs/dbraw/zinc/78/87/11/444788711.db2.gz OHFYYNJGOUUSAT-LLVKDONJSA-N 1 2 342.321 1.988 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)c2ccc3nc(C(F)(F)F)cn3c2)C1 ZINC000329960997 444788716 /nfs/dbraw/zinc/78/87/16/444788716.db2.gz OHFYYNJGOUUSAT-LLVKDONJSA-N 1 2 342.321 1.988 20 30 EDEDLO Cc1nnc([C@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)[nH]1 ZINC000336887111 444833669 /nfs/dbraw/zinc/83/36/69/444833669.db2.gz HPXGOLKIKBQYFE-DOTOQJQBSA-N 1 2 341.415 1.952 20 30 EDEDLO Cc1nnc([C@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)[nH]1 ZINC000336887111 444833670 /nfs/dbraw/zinc/83/36/70/444833670.db2.gz HPXGOLKIKBQYFE-DOTOQJQBSA-N 1 2 341.415 1.952 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000341487063 444856080 /nfs/dbraw/zinc/85/60/80/444856080.db2.gz YHFLVHSLJJTVSO-QLFBSQMISA-N 1 2 337.443 1.986 20 30 EDEDLO C[C@@H](C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)n1cnc(C#N)n1 ZINC000336946463 444867907 /nfs/dbraw/zinc/86/79/07/444867907.db2.gz MHNNWGWXTLXCMT-RYUDHWBXSA-N 1 2 341.419 1.336 20 30 EDEDLO C[C@H](C(=O)NCc1nnn(C)n1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000330248498 444906322 /nfs/dbraw/zinc/90/63/22/444906322.db2.gz MGBKWHZGOHBHPW-GFCCVEGCSA-N 1 2 347.398 1.016 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2cccc(O)c2)CC1 ZINC000330275532 444918144 /nfs/dbraw/zinc/91/81/44/444918144.db2.gz LPNLPNJCNCABNL-CQSZACIVSA-N 1 2 341.415 1.640 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2cccc3c2OCO3)CCN1C ZINC000330337267 444942951 /nfs/dbraw/zinc/94/29/51/444942951.db2.gz TXCHEUGNNBNGTR-ZDUSSCGKSA-N 1 2 343.387 1.683 20 30 EDEDLO Cc1ccn2ncc(C(=O)N[C@@H]3CCO[C@H](c4c[nH+]cn4C)C3)c2n1 ZINC000330323071 444936616 /nfs/dbraw/zinc/93/66/16/444936616.db2.gz HJCGGSGNYQMUND-DOMZBBRYSA-N 1 2 340.387 1.996 20 30 EDEDLO N#Cc1cc2c(nc1NCC[NH+]1CCN(c3ncccn3)CC1)CCC2 ZINC000339011712 444984185 /nfs/dbraw/zinc/98/41/85/444984185.db2.gz CTXCZRZMIPBJGP-UHFFFAOYSA-N 1 2 349.442 1.466 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H](C)[NH+]1C ZINC000339064929 445015776 /nfs/dbraw/zinc/01/57/76/445015776.db2.gz AGZYYRCIQXNXCX-RYUDHWBXSA-N 1 2 325.409 1.552 20 30 EDEDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000330522464 445017138 /nfs/dbraw/zinc/01/71/38/445017138.db2.gz IRSJBLGNJAXBPZ-MRXNPFEDSA-N 1 2 339.436 1.991 20 30 EDEDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000330522464 445017145 /nfs/dbraw/zinc/01/71/45/445017145.db2.gz IRSJBLGNJAXBPZ-MRXNPFEDSA-N 1 2 339.436 1.991 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000339141598 445054796 /nfs/dbraw/zinc/05/47/96/445054796.db2.gz DCPMPNAUWMLLSZ-UHFFFAOYSA-N 1 2 340.383 1.795 20 30 EDEDLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000339239854 445107767 /nfs/dbraw/zinc/10/77/67/445107767.db2.gz SQPCEWGPXPXORT-MRXNPFEDSA-N 1 2 339.399 1.897 20 30 EDEDLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000339239854 445107770 /nfs/dbraw/zinc/10/77/70/445107770.db2.gz SQPCEWGPXPXORT-MRXNPFEDSA-N 1 2 339.399 1.897 20 30 EDEDLO C[C@](O)(CNC(=O)c1c(F)ccc(O)c1F)C[NH+]1CCOCC1 ZINC000330873208 445175762 /nfs/dbraw/zinc/17/57/62/445175762.db2.gz VDWMKBNOGQRMMW-HNNXBMFYSA-N 1 2 330.331 1.058 20 30 EDEDLO CC(C)CNC(=O)NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000337647907 445186959 /nfs/dbraw/zinc/18/69/59/445186959.db2.gz JLUWFCSLQDCXFK-UHFFFAOYSA-N 1 2 343.431 1.162 20 30 EDEDLO C=CCCN(C)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000346459527 445215350 /nfs/dbraw/zinc/21/53/50/445215350.db2.gz DYCQIEUPECBOSZ-PBHICJAKSA-N 1 2 330.432 1.897 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000343327975 445200718 /nfs/dbraw/zinc/20/07/18/445200718.db2.gz BPVZDLMVMAPCLV-CVEARBPZSA-N 1 2 339.480 1.417 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351794812 445324444 /nfs/dbraw/zinc/32/44/44/445324444.db2.gz GNCSHWLBVCAVBA-WBMJQRKESA-N 1 2 348.447 1.264 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351794812 445324448 /nfs/dbraw/zinc/32/44/48/445324448.db2.gz GNCSHWLBVCAVBA-WBMJQRKESA-N 1 2 348.447 1.264 20 30 EDEDLO CN(CCOc1ccccc1F)C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352484539 445533051 /nfs/dbraw/zinc/53/30/51/445533051.db2.gz QSGBPTPYSLJXPI-UHFFFAOYSA-N 1 2 337.370 1.991 20 30 EDEDLO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352489469 445533154 /nfs/dbraw/zinc/53/31/54/445533154.db2.gz AIYUIKDMBIOOGC-HNNXBMFYSA-N 1 2 345.422 1.446 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000352773255 445553877 /nfs/dbraw/zinc/55/38/77/445553877.db2.gz AFOOQEPXEXQSQR-CZUORRHYSA-N 1 2 345.447 1.635 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000352773255 445553880 /nfs/dbraw/zinc/55/38/80/445553880.db2.gz AFOOQEPXEXQSQR-CZUORRHYSA-N 1 2 345.447 1.635 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000357560251 445567064 /nfs/dbraw/zinc/56/70/64/445567064.db2.gz SKXDGOATYDLTRW-UHFFFAOYSA-N 1 2 346.412 1.003 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352683485 445548288 /nfs/dbraw/zinc/54/82/88/445548288.db2.gz AZRANTGFZBSAGY-DYEKYZERSA-N 1 2 335.370 1.534 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352683485 445548291 /nfs/dbraw/zinc/54/82/91/445548291.db2.gz AZRANTGFZBSAGY-DYEKYZERSA-N 1 2 335.370 1.534 20 30 EDEDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000362953970 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EDEDLO C=CCCCC(=O)N1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000359173522 445999845 /nfs/dbraw/zinc/99/98/45/445999845.db2.gz VARGNIJNSBXBTI-OAHLLOKOSA-N 1 2 325.453 1.028 20 30 EDEDLO Cc1ncc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000583550605 326093171 /nfs/dbraw/zinc/09/31/71/326093171.db2.gz CBRJMJLSPYYHMB-UHFFFAOYSA-N 1 2 339.399 1.882 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000369297506 446056398 /nfs/dbraw/zinc/05/63/98/446056398.db2.gz FNQJKQMYZNCDFE-LBTNJELSSA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000369297506 446056403 /nfs/dbraw/zinc/05/64/03/446056403.db2.gz FNQJKQMYZNCDFE-LBTNJELSSA-N 1 2 329.400 1.765 20 30 EDEDLO COC(=O)c1ccc(N(C)Cc2cn3c([nH+]2)CCCC3)c(C#N)n1 ZINC000584004687 326183185 /nfs/dbraw/zinc/18/31/85/326183185.db2.gz RSJIWXAINDFGPG-UHFFFAOYSA-N 1 2 325.372 1.909 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000361955432 446105477 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C=CCNC(=O)CN1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435130205 446680524 /nfs/dbraw/zinc/68/05/24/446680524.db2.gz ONNGYWKTBXMRKV-UHFFFAOYSA-N 1 2 329.404 1.090 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCn3c(CO)nnc3C2)c(OC(F)F)c1 ZINC000437895034 446771296 /nfs/dbraw/zinc/77/12/96/446771296.db2.gz HZEOYLLQIISFLL-UHFFFAOYSA-N 1 2 335.314 1.259 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCn3c(CO)nnc3C2)c(OC(F)F)c1 ZINC000437895034 446771302 /nfs/dbraw/zinc/77/13/02/446771302.db2.gz HZEOYLLQIISFLL-UHFFFAOYSA-N 1 2 335.314 1.259 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411977185 446771614 /nfs/dbraw/zinc/77/16/14/446771614.db2.gz FNWLZHIIWDUDFR-IFXJQAMLSA-N 1 2 341.411 1.857 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411977185 446771620 /nfs/dbraw/zinc/77/16/20/446771620.db2.gz FNWLZHIIWDUDFR-IFXJQAMLSA-N 1 2 341.411 1.857 20 30 EDEDLO CC(=O)c1ccc2c(c1)CC[N@@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000377013311 446860369 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C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000424925350 446962066 /nfs/dbraw/zinc/96/20/66/446962066.db2.gz OVPMOQORECPTSH-IMJJTQAJSA-N 1 2 348.447 1.190 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000424925350 446962075 /nfs/dbraw/zinc/96/20/75/446962075.db2.gz OVPMOQORECPTSH-IMJJTQAJSA-N 1 2 348.447 1.190 20 30 EDEDLO N#CCCn1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)n1 ZINC000371793402 446964924 /nfs/dbraw/zinc/96/49/24/446964924.db2.gz WTYYTFLXQYELIU-UHFFFAOYSA-N 1 2 327.392 1.694 20 30 EDEDLO CN1CC[N@H+](C)C[C@@H]1c1noc([C@]2(C#N)CCc3ccccc3C2)n1 ZINC000371914788 446974457 /nfs/dbraw/zinc/97/44/57/446974457.db2.gz HNYHRKVHBKFKMJ-VQIMIIECSA-N 1 2 337.427 1.938 20 30 EDEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc([C@]2(C#N)CCc3ccccc3C2)n1 ZINC000371914788 446974464 /nfs/dbraw/zinc/97/44/64/446974464.db2.gz HNYHRKVHBKFKMJ-VQIMIIECSA-N 1 2 337.427 1.938 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455551455 447166016 /nfs/dbraw/zinc/16/60/16/447166016.db2.gz XUBYMSSPOCVBJI-CZUORRHYSA-N 1 2 346.406 1.702 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CCCCC1 ZINC000444727051 447131442 /nfs/dbraw/zinc/13/14/42/447131442.db2.gz PGJCRFCWUTZBDT-TZMCWYRMSA-N 1 2 347.381 1.964 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CCCCC1 ZINC000444727051 447131447 /nfs/dbraw/zinc/13/14/47/447131447.db2.gz PGJCRFCWUTZBDT-TZMCWYRMSA-N 1 2 347.381 1.964 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1C#N ZINC000457019228 447502851 /nfs/dbraw/zinc/50/28/51/447502851.db2.gz DBBVTFLZZYPYRX-UHFFFAOYSA-N 1 2 334.445 1.985 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNc2ncc(Br)cc2C#N)CCO1 ZINC000450481276 447504137 /nfs/dbraw/zinc/50/41/37/447504137.db2.gz DIDIILWBLQQVDH-CYBMUJFWSA-N 1 2 339.237 2.238 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNc2ncc(Br)cc2C#N)CCO1 ZINC000450481276 447504141 /nfs/dbraw/zinc/50/41/41/447504141.db2.gz DIDIILWBLQQVDH-CYBMUJFWSA-N 1 2 339.237 2.238 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000495749466 447579330 /nfs/dbraw/zinc/57/93/30/447579330.db2.gz MHIIVTFRUNXRJK-CABCVRRESA-N 1 2 338.452 1.152 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000495749466 447579336 /nfs/dbraw/zinc/57/93/36/447579336.db2.gz MHIIVTFRUNXRJK-CABCVRRESA-N 1 2 338.452 1.152 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000427062538 447537858 /nfs/dbraw/zinc/53/78/58/447537858.db2.gz SJSIZOVQWBMUEM-LLVKDONJSA-N 1 2 343.774 1.478 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408349858 447653147 /nfs/dbraw/zinc/65/31/47/447653147.db2.gz UZNAVSZSOSHAPZ-ZTFGCOKTSA-N 1 2 337.464 1.699 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408349858 447653156 /nfs/dbraw/zinc/65/31/56/447653156.db2.gz UZNAVSZSOSHAPZ-ZTFGCOKTSA-N 1 2 337.464 1.699 20 30 EDEDLO CC(C)(CC#N)CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000459425234 447661254 /nfs/dbraw/zinc/66/12/54/447661254.db2.gz RUWJTAXTTYJCMR-UHFFFAOYSA-N 1 2 334.424 1.277 20 30 EDEDLO CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459465211 447675070 /nfs/dbraw/zinc/67/50/70/447675070.db2.gz NQLULBVWJICISX-ZFWWWQNUSA-N 1 2 348.472 1.495 20 30 EDEDLO CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459465206 447675910 /nfs/dbraw/zinc/67/59/10/447675910.db2.gz NQLULBVWJICISX-DZGCQCFKSA-N 1 2 348.472 1.495 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451272895 447721083 /nfs/dbraw/zinc/72/10/83/447721083.db2.gz WBKJMWRIOOULHT-QGPMSJSTSA-N 1 2 333.407 1.547 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451272895 447721085 /nfs/dbraw/zinc/72/10/85/447721085.db2.gz WBKJMWRIOOULHT-QGPMSJSTSA-N 1 2 333.407 1.547 20 30 EDEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c2[nH+]ccn21 ZINC000451947002 447794630 /nfs/dbraw/zinc/79/46/30/447794630.db2.gz OCQNIIVWQOAXHY-MWLCHTKSSA-N 1 2 347.356 1.647 20 30 EDEDLO COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000490044585 447886969 /nfs/dbraw/zinc/88/69/69/447886969.db2.gz SDVNJDLASNHWBX-HNNXBMFYSA-N 1 2 338.429 1.069 20 30 EDEDLO COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000490044585 447886970 /nfs/dbraw/zinc/88/69/70/447886970.db2.gz SDVNJDLASNHWBX-HNNXBMFYSA-N 1 2 338.429 1.069 20 30 EDEDLO C#CCN(CC#CC)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000490933665 447910920 /nfs/dbraw/zinc/91/09/20/447910920.db2.gz FVLYDFUDHLSMET-UHFFFAOYSA-N 1 2 332.407 2.496 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000491166670 447946399 /nfs/dbraw/zinc/94/63/99/447946399.db2.gz TZZRBEIDXQEDSW-UHFFFAOYSA-N 1 2 337.370 1.155 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000491165957 447946516 /nfs/dbraw/zinc/94/65/16/447946516.db2.gz OKJFSOGRIIIODO-CQSZACIVSA-N 1 2 330.388 1.023 20 30 EDEDLO COc1cc(/C=C/C(=O)NCCn2cc[nH+]c2)ccc1OCC#N ZINC000491116371 447926788 /nfs/dbraw/zinc/92/67/88/447926788.db2.gz DMOCWFNIEUXMDY-HWKANZROSA-N 1 2 326.356 1.624 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)OC(C)(C)C)C2CCOCC2)C1=O ZINC000576403764 448046032 /nfs/dbraw/zinc/04/60/32/448046032.db2.gz YCORZEMEPRNROU-OAHLLOKOSA-N 1 2 338.448 1.596 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)OC(C)(C)C)C2CCOCC2)C1=O ZINC000576403764 448046036 /nfs/dbraw/zinc/04/60/36/448046036.db2.gz YCORZEMEPRNROU-OAHLLOKOSA-N 1 2 338.448 1.596 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CCC1 ZINC000526300828 448110869 /nfs/dbraw/zinc/11/08/69/448110869.db2.gz PUIUOKPBFQUURN-CYBMUJFWSA-N 1 2 328.420 1.424 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CCC1 ZINC000526300828 448110872 /nfs/dbraw/zinc/11/08/72/448110872.db2.gz PUIUOKPBFQUURN-CYBMUJFWSA-N 1 2 328.420 1.424 20 30 EDEDLO CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N(C[NH+]1CCC(C#N)CC1)C2 ZINC000491878091 448140884 /nfs/dbraw/zinc/14/08/84/448140884.db2.gz NYWJDSIQDRVPPH-UHFFFAOYSA-N 1 2 348.447 1.649 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000532212727 448215792 /nfs/dbraw/zinc/21/57/92/448215792.db2.gz HLYVXILZNRVYBX-FAKMSMKASA-N 1 2 345.487 1.790 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000532212727 448215795 /nfs/dbraw/zinc/21/57/95/448215795.db2.gz HLYVXILZNRVYBX-FAKMSMKASA-N 1 2 345.487 1.790 20 30 EDEDLO C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nn1 ZINC000582482767 448249587 /nfs/dbraw/zinc/24/95/87/448249587.db2.gz UVRPEUNNBOESFI-GDBMZVCRSA-N 1 2 333.436 1.227 20 30 EDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000562519858 448258062 /nfs/dbraw/zinc/25/80/62/448258062.db2.gz QSPRPNNVSJLSIF-DIFFPNOSSA-N 1 2 325.372 1.888 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)C1=O ZINC000532463336 448263252 /nfs/dbraw/zinc/26/32/52/448263252.db2.gz XZYZCZHVPWDHDX-CMPFZWEDSA-N 1 2 345.487 1.646 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)C1=O ZINC000532463336 448263260 /nfs/dbraw/zinc/26/32/60/448263260.db2.gz XZYZCZHVPWDHDX-CMPFZWEDSA-N 1 2 345.487 1.646 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000492808505 448300443 /nfs/dbraw/zinc/30/04/43/448300443.db2.gz CXELXKWJEJCLQY-RQOWECAXSA-N 1 2 325.347 1.782 20 30 EDEDLO N#CC1(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000565334748 448365338 /nfs/dbraw/zinc/36/53/38/448365338.db2.gz FIJFYYBTOVINLS-HNNXBMFYSA-N 1 2 343.431 1.437 20 30 EDEDLO N#CC1(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000565334748 448365346 /nfs/dbraw/zinc/36/53/46/448365346.db2.gz FIJFYYBTOVINLS-HNNXBMFYSA-N 1 2 343.431 1.437 20 30 EDEDLO C[C@H]1C(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C(=O)N1c1ccccc1 ZINC000582892240 448369846 /nfs/dbraw/zinc/36/98/46/448369846.db2.gz AUWMUVRSOXQMCK-ZFWWWQNUSA-N 1 2 330.388 1.050 20 30 EDEDLO C[C@H]1C(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C(=O)N1c1ccccc1 ZINC000582892240 448369849 /nfs/dbraw/zinc/36/98/49/448369849.db2.gz AUWMUVRSOXQMCK-ZFWWWQNUSA-N 1 2 330.388 1.050 20 30 EDEDLO C=C1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000533281295 448382275 /nfs/dbraw/zinc/38/22/75/448382275.db2.gz PUFBZCUXIOFTSK-UHFFFAOYSA-N 1 2 337.445 1.527 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](n3ccnn3)C2)C1=O ZINC000516053637 448372882 /nfs/dbraw/zinc/37/28/82/448372882.db2.gz HJSCKEZYAMUWEU-KGLIPLIRSA-N 1 2 342.428 1.654 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](n3ccnn3)C2)C1=O ZINC000516053637 448372888 /nfs/dbraw/zinc/37/28/88/448372888.db2.gz HJSCKEZYAMUWEU-KGLIPLIRSA-N 1 2 342.428 1.654 20 30 EDEDLO CC(C)c1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)on1 ZINC000591742262 448479221 /nfs/dbraw/zinc/47/92/21/448479221.db2.gz MWUNLONFSGMUGT-UHFFFAOYSA-N 1 2 334.401 1.628 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCSC[C@@H]3CO)C2=O)cc1 ZINC000516920805 448497129 /nfs/dbraw/zinc/49/71/29/448497129.db2.gz HKKRTUDEVJLDPI-JKSUJKDBSA-N 1 2 331.441 1.463 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCSC[C@@H]3CO)C2=O)cc1 ZINC000516920805 448497133 /nfs/dbraw/zinc/49/71/33/448497133.db2.gz HKKRTUDEVJLDPI-JKSUJKDBSA-N 1 2 331.441 1.463 20 30 EDEDLO C[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC(C)(C)O1 ZINC000528359562 448497791 /nfs/dbraw/zinc/49/77/91/448497791.db2.gz QICRUPSMNPXRHM-AWEZNQCLSA-N 1 2 326.396 1.785 20 30 EDEDLO C[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC(C)(C)O1 ZINC000528359562 448497795 /nfs/dbraw/zinc/49/77/95/448497795.db2.gz QICRUPSMNPXRHM-AWEZNQCLSA-N 1 2 326.396 1.785 20 30 EDEDLO N#Cc1cccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000518734702 448703844 /nfs/dbraw/zinc/70/38/44/448703844.db2.gz XOSJGBBHGGBWJG-UHFFFAOYSA-N 1 2 340.387 1.731 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000592146384 448706153 /nfs/dbraw/zinc/70/61/53/448706153.db2.gz HIFHBUNQRWXHJT-HXUWFJFHSA-N 1 2 341.455 1.965 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000592146384 448706157 /nfs/dbraw/zinc/70/61/57/448706157.db2.gz HIFHBUNQRWXHJT-HXUWFJFHSA-N 1 2 341.455 1.965 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000592148984 448708567 /nfs/dbraw/zinc/70/85/67/448708567.db2.gz GJIYAHFGPVYGJQ-AWEZNQCLSA-N 1 2 338.205 1.738 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000592148984 448708570 /nfs/dbraw/zinc/70/85/70/448708570.db2.gz GJIYAHFGPVYGJQ-AWEZNQCLSA-N 1 2 338.205 1.738 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149778 448710843 /nfs/dbraw/zinc/71/08/43/448710843.db2.gz WHXGLAKBUNDPED-SJCJKPOMSA-N 1 2 330.388 1.322 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149778 448710845 /nfs/dbraw/zinc/71/08/45/448710845.db2.gz WHXGLAKBUNDPED-SJCJKPOMSA-N 1 2 330.388 1.322 20 30 EDEDLO CC(=O)NCC[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000592152051 448712981 /nfs/dbraw/zinc/71/29/81/448712981.db2.gz MFIITIKBVCSCMK-UHFFFAOYSA-N 1 2 330.432 1.618 20 30 EDEDLO CC(=O)NCC[N@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000592152051 448712986 /nfs/dbraw/zinc/71/29/86/448712986.db2.gz MFIITIKBVCSCMK-UHFFFAOYSA-N 1 2 330.432 1.618 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N(CCC#N)CCN3CCOCC3)ccn12 ZINC000567364384 448677238 /nfs/dbraw/zinc/67/72/38/448677238.db2.gz IBIPUKSLAOQJJW-UHFFFAOYSA-N 1 2 341.415 1.331 20 30 EDEDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000592390773 448821153 /nfs/dbraw/zinc/82/11/53/448821153.db2.gz WLJGRWLWOSMILZ-HNNXBMFYSA-N 1 2 325.409 1.216 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(CC#N)cc1 ZINC000579586721 448827492 /nfs/dbraw/zinc/82/74/92/448827492.db2.gz HMVUAUXGOWCVPS-CRAIPNDOSA-N 1 2 342.443 1.757 20 30 EDEDLO Cc1cc(C#N)cc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)n1 ZINC000587872904 448846841 /nfs/dbraw/zinc/84/68/41/448846841.db2.gz KYIOMFKJEVTHHZ-OAHLLOKOSA-N 1 2 341.459 1.831 20 30 EDEDLO C[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000592501819 448867703 /nfs/dbraw/zinc/86/77/03/448867703.db2.gz KIBBPEMGILOGHZ-HUUCEWRRSA-N 1 2 347.444 1.389 20 30 EDEDLO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000592501819 448867706 /nfs/dbraw/zinc/86/77/06/448867706.db2.gz KIBBPEMGILOGHZ-HUUCEWRRSA-N 1 2 347.444 1.389 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC)C2)cc1OC ZINC000529644719 448916365 /nfs/dbraw/zinc/91/63/65/448916365.db2.gz WMJHYJDEWDAQDB-HNNXBMFYSA-N 1 2 349.431 1.390 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC)C2)cc1OC ZINC000529644719 448916369 /nfs/dbraw/zinc/91/63/69/448916369.db2.gz WMJHYJDEWDAQDB-HNNXBMFYSA-N 1 2 349.431 1.390 20 30 EDEDLO COc1cccnc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000574686528 448931610 /nfs/dbraw/zinc/93/16/10/448931610.db2.gz XIAKBDGNKWFZSV-UHFFFAOYSA-N 1 2 331.397 1.525 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)cc1F ZINC000588340038 448895873 /nfs/dbraw/zinc/89/58/73/448895873.db2.gz ZYVADDNEBQHCBF-BBRMVZONSA-N 1 2 346.406 1.702 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000581861062 448987446 /nfs/dbraw/zinc/98/74/46/448987446.db2.gz GCYPHSJMOKMYDZ-ATNYBXOESA-N 1 2 335.448 1.596 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000581861062 448987449 /nfs/dbraw/zinc/98/74/49/448987449.db2.gz GCYPHSJMOKMYDZ-ATNYBXOESA-N 1 2 335.448 1.596 20 30 EDEDLO CC1(C)C[NH+](CC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000580214909 448942695 /nfs/dbraw/zinc/94/26/95/448942695.db2.gz JJERBCWFJJSTOJ-UHFFFAOYSA-N 1 2 327.363 2.163 20 30 EDEDLO COc1ccc(C(=O)CCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000520990789 448944475 /nfs/dbraw/zinc/94/44/75/448944475.db2.gz WCJJBSVOJXXOBG-UHFFFAOYSA-N 1 2 329.400 1.762 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595727316 449133766 /nfs/dbraw/zinc/13/37/66/449133766.db2.gz APQASOBLQGLDPL-VYDXJSESSA-N 1 2 327.384 1.373 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595727316 449133770 /nfs/dbraw/zinc/13/37/70/449133770.db2.gz APQASOBLQGLDPL-VYDXJSESSA-N 1 2 327.384 1.373 20 30 EDEDLO N#Cc1sccc1N1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000595629863 449089777 /nfs/dbraw/zinc/08/97/77/449089777.db2.gz OFOSJFKPKYMZDZ-GASCZTMLSA-N 1 2 332.473 1.605 20 30 EDEDLO N#CCNC(=O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000595661289 449102571 /nfs/dbraw/zinc/10/25/71/449102571.db2.gz YASVRBXIHLKBMA-UHFFFAOYSA-N 1 2 327.215 1.755 20 30 EDEDLO CC(C)O[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000593054020 449116346 /nfs/dbraw/zinc/11/63/46/449116346.db2.gz RJYJXJDTSTZHBO-OAHLLOKOSA-N 1 2 337.445 1.616 20 30 EDEDLO CC(C)O[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000593054020 449116349 /nfs/dbraw/zinc/11/63/49/449116349.db2.gz RJYJXJDTSTZHBO-OAHLLOKOSA-N 1 2 337.445 1.616 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCc4[nH]c[nH+]c4C3)C2)c(F)c1 ZINC000599952373 449124554 /nfs/dbraw/zinc/12/45/54/449124554.db2.gz MBCZSNOGLKWOAJ-ZDUSSCGKSA-N 1 2 339.374 1.832 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCc4[nH+]c[nH]c4C3)C2)c(F)c1 ZINC000599952373 449124557 /nfs/dbraw/zinc/12/45/57/449124557.db2.gz MBCZSNOGLKWOAJ-ZDUSSCGKSA-N 1 2 339.374 1.832 20 30 EDEDLO Cc1cc(F)c2[nH]c(=O)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2c1 ZINC000593154838 449153669 /nfs/dbraw/zinc/15/36/69/449153669.db2.gz KPPJXUULPTXYAU-QGZVFWFLSA-N 1 2 330.363 1.962 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000593155549 449154753 /nfs/dbraw/zinc/15/47/53/449154753.db2.gz ACXGSOZYGGXLTR-OAHLLOKOSA-N 1 2 333.417 1.691 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(O)(CO)CC1 ZINC000595734335 449137793 /nfs/dbraw/zinc/13/77/93/449137793.db2.gz XAIAFWFKQKDFPS-NSHDSACASA-N 1 2 337.807 1.358 20 30 EDEDLO CC1(C)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@H]2COC[C@H]2O1 ZINC000593115112 449141611 /nfs/dbraw/zinc/14/16/11/449141611.db2.gz CHHUIIFJPUGGIP-CGTJXYLNSA-N 1 2 346.427 1.371 20 30 EDEDLO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)[C@@H]2COC[C@H]2O1 ZINC000593115112 449141615 /nfs/dbraw/zinc/14/16/15/449141615.db2.gz CHHUIIFJPUGGIP-CGTJXYLNSA-N 1 2 346.427 1.371 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(O)cc(C#N)c1)C2 ZINC000593696797 449151341 /nfs/dbraw/zinc/15/13/41/449151341.db2.gz GTLBECJSTLOLCN-AWEZNQCLSA-N 1 2 340.383 1.048 20 30 EDEDLO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839673 449200621 /nfs/dbraw/zinc/20/06/21/449200621.db2.gz HOWIDIULRDKFBZ-KXBFYZLASA-N 1 2 342.443 1.665 20 30 EDEDLO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595839673 449200628 /nfs/dbraw/zinc/20/06/28/449200628.db2.gz HOWIDIULRDKFBZ-KXBFYZLASA-N 1 2 342.443 1.665 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595821818 449185421 /nfs/dbraw/zinc/18/54/21/449185421.db2.gz HCVPSUYXMCCPAR-KRWDZBQOSA-N 1 2 325.412 1.976 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595821818 449185426 /nfs/dbraw/zinc/18/54/26/449185426.db2.gz HCVPSUYXMCCPAR-KRWDZBQOSA-N 1 2 325.412 1.976 20 30 EDEDLO C[C@]1(C#N)CC[N@H+](Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)C1 ZINC000600174914 449228042 /nfs/dbraw/zinc/22/80/42/449228042.db2.gz RDKWDDAQIZKZJX-LJQANCHMSA-N 1 2 349.394 1.941 20 30 EDEDLO C[C@]1(C#N)CC[N@@H+](Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)C1 ZINC000600174914 449228049 /nfs/dbraw/zinc/22/80/49/449228049.db2.gz RDKWDDAQIZKZJX-LJQANCHMSA-N 1 2 349.394 1.941 20 30 EDEDLO CN1CCCC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1=O ZINC000601968157 449250434 /nfs/dbraw/zinc/25/04/34/449250434.db2.gz CPCFMUUQYBASLY-QGZVFWFLSA-N 1 2 342.443 1.876 20 30 EDEDLO CN1CCCC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1=O ZINC000601968157 449250439 /nfs/dbraw/zinc/25/04/39/449250439.db2.gz CPCFMUUQYBASLY-QGZVFWFLSA-N 1 2 342.443 1.876 20 30 EDEDLO CN1CCN(c2cc(N3Cc4cccc(C#N)c4C3)nc[nH+]2)CC1=O ZINC000593521056 449322233 /nfs/dbraw/zinc/32/22/33/449322233.db2.gz VQVRTSQTXQUEAG-UHFFFAOYSA-N 1 2 334.383 1.147 20 30 EDEDLO CN1CCN(c2cc(N3Cc4cccc(C#N)c4C3)[nH+]cn2)CC1=O ZINC000593521056 449322236 /nfs/dbraw/zinc/32/22/36/449322236.db2.gz VQVRTSQTXQUEAG-UHFFFAOYSA-N 1 2 334.383 1.147 20 30 EDEDLO Cn1ccnc1CN1CCC[C@@H]([NH2+]Cc2cccc(F)c2C#N)C1=O ZINC000602014582 449275143 /nfs/dbraw/zinc/27/51/43/449275143.db2.gz FCEHHONWBZOGNT-MRXNPFEDSA-N 1 2 341.390 1.712 20 30 EDEDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccsc2C#N)C[C@H](C)O1 ZINC000593526783 449325621 /nfs/dbraw/zinc/32/56/21/449325621.db2.gz LJJDHLGZBAFIOU-RYUDHWBXSA-N 1 2 343.474 1.397 20 30 EDEDLO Cc1cc(NCCNC(=O)Cc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000600367598 449341584 /nfs/dbraw/zinc/34/15/84/449341584.db2.gz VCYFOBMNUZLELA-UHFFFAOYSA-N 1 2 337.427 2.551 20 30 EDEDLO Cc1noc([C@H](C)[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000594037357 449333668 /nfs/dbraw/zinc/33/36/68/449333668.db2.gz JTRBREWOXSSJGX-WFASDCNBSA-N 1 2 330.388 1.877 20 30 EDEDLO Cc1noc([C@H](C)[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000594037357 449333672 /nfs/dbraw/zinc/33/36/72/449333672.db2.gz JTRBREWOXSSJGX-WFASDCNBSA-N 1 2 330.388 1.877 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(C#N)cc2F)[C@@H](C)CO1 ZINC000596272591 449449793 /nfs/dbraw/zinc/44/97/93/449449793.db2.gz ISFJGOGEZMSKAK-QWHCGFSZSA-N 1 2 334.395 1.606 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(C#N)cc2F)[C@@H](C)CO1 ZINC000596272591 449449796 /nfs/dbraw/zinc/44/97/96/449449796.db2.gz ISFJGOGEZMSKAK-QWHCGFSZSA-N 1 2 334.395 1.606 20 30 EDEDLO COc1c(C)[nH+]cnc1N1CCN(c2snc(C)c2C#N)CC1 ZINC000594580050 449582110 /nfs/dbraw/zinc/58/21/10/449582110.db2.gz BRKCLNMIURRMCY-UHFFFAOYSA-N 1 2 330.417 1.757 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)on1 ZINC000602442213 449590820 /nfs/dbraw/zinc/59/08/20/449590820.db2.gz VATUTTOBUZDKBT-UHFFFAOYSA-N 1 2 327.344 1.050 20 30 EDEDLO N#Cc1cccc(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)n1 ZINC000602457348 449603769 /nfs/dbraw/zinc/60/37/69/449603769.db2.gz AGLABRDHCUNUKB-UHFFFAOYSA-N 1 2 341.459 1.520 20 30 EDEDLO COCC[N@H+](C)Cc1cn(-c2cc(C(F)(F)F)cnc2C#N)nn1 ZINC000594648000 449604976 /nfs/dbraw/zinc/60/49/76/449604976.db2.gz CMKHTDYPXDKOIL-UHFFFAOYSA-N 1 2 340.309 1.631 20 30 EDEDLO COCC[N@@H+](C)Cc1cn(-c2cc(C(F)(F)F)cnc2C#N)nn1 ZINC000594648000 449604978 /nfs/dbraw/zinc/60/49/78/449604978.db2.gz CMKHTDYPXDKOIL-UHFFFAOYSA-N 1 2 340.309 1.631 20 30 EDEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC(=O)N1 ZINC000598977122 449677170 /nfs/dbraw/zinc/67/71/70/449677170.db2.gz GLXGWTRHEIJHMY-YOEHRIQHSA-N 1 2 340.427 1.117 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC(=O)N1CCCC1 ZINC000598916613 449645418 /nfs/dbraw/zinc/64/54/18/449645418.db2.gz GDXWCCMIQQXHKK-WUJZJPHMSA-N 1 2 348.491 1.860 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000598916613 449645424 /nfs/dbraw/zinc/64/54/24/449645424.db2.gz GDXWCCMIQQXHKK-WUJZJPHMSA-N 1 2 348.491 1.860 20 30 EDEDLO Cc1cc(C#N)nc(NCc2cc[nH+]c(N3CCSCC3)c2)n1 ZINC000601239783 449768765 /nfs/dbraw/zinc/76/87/65/449768765.db2.gz BQXZXOONOMLUCI-UHFFFAOYSA-N 1 2 326.429 2.217 20 30 EDEDLO C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000614776764 449812375 /nfs/dbraw/zinc/81/23/75/449812375.db2.gz MTMQUBUKWCMZRJ-GFCCVEGCSA-N 1 2 344.444 1.404 20 30 EDEDLO C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000614776764 449812384 /nfs/dbraw/zinc/81/23/84/449812384.db2.gz MTMQUBUKWCMZRJ-GFCCVEGCSA-N 1 2 344.444 1.404 20 30 EDEDLO CO[C@H]1C[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000599241417 449825481 /nfs/dbraw/zinc/82/54/81/449825481.db2.gz PRYUWRXBCYFARP-HDICACEKSA-N 1 2 342.443 1.810 20 30 EDEDLO COCC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000597133369 449830183 /nfs/dbraw/zinc/83/01/83/449830183.db2.gz SQQGAQQSWRFJTE-KRWDZBQOSA-N 1 2 348.468 1.877 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000597133369 449830188 /nfs/dbraw/zinc/83/01/88/449830188.db2.gz SQQGAQQSWRFJTE-KRWDZBQOSA-N 1 2 348.468 1.877 20 30 EDEDLO N#Cc1cccc(OCC[NH+]2CCN(CC(F)(F)CO)CC2)c1 ZINC000602875394 449884808 /nfs/dbraw/zinc/88/48/08/449884808.db2.gz NFNHUYUXYXCJNL-UHFFFAOYSA-N 1 2 325.359 1.182 20 30 EDEDLO C=CCCSCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000597295519 449925846 /nfs/dbraw/zinc/92/58/46/449925846.db2.gz CNIQZVCPYXASKV-CQSZACIVSA-N 1 2 348.472 1.202 20 30 EDEDLO COC(=O)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000599372593 449926927 /nfs/dbraw/zinc/92/69/27/449926927.db2.gz XDTLKKUHDPCHCQ-JKSUJKDBSA-N 1 2 338.448 1.769 20 30 EDEDLO N#CCc1ccccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601424173 449943905 /nfs/dbraw/zinc/94/39/05/449943905.db2.gz AHKPSSXCGKINLH-INIZCTEOSA-N 1 2 349.456 1.238 20 30 EDEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)nc1 ZINC000599444021 449979784 /nfs/dbraw/zinc/97/97/84/449979784.db2.gz OTEWOGMSTKOQTL-QGZVFWFLSA-N 1 2 332.404 1.354 20 30 EDEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)nc1 ZINC000599444021 449979789 /nfs/dbraw/zinc/97/97/89/449979789.db2.gz OTEWOGMSTKOQTL-QGZVFWFLSA-N 1 2 332.404 1.354 20 30 EDEDLO CN(C[C@@H]1C[N@H+](C)CCO1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000601489094 450009645 /nfs/dbraw/zinc/00/96/45/450009645.db2.gz KWJLFPPSMJOAOA-ZDUSSCGKSA-N 1 2 343.836 1.163 20 30 EDEDLO CN(C[C@@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000601489094 450009648 /nfs/dbraw/zinc/00/96/48/450009648.db2.gz KWJLFPPSMJOAOA-ZDUSSCGKSA-N 1 2 343.836 1.163 20 30 EDEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000613130206 450038623 /nfs/dbraw/zinc/03/86/23/450038623.db2.gz ABHRICMECSBPAG-ZIAGYGMSSA-N 1 2 331.313 1.931 20 30 EDEDLO Cc1cc(N)cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000601569274 450079270 /nfs/dbraw/zinc/07/92/70/450079270.db2.gz YZEAOHVCCMRGGL-UHFFFAOYSA-N 1 2 331.420 1.657 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1C#N ZINC000599633174 450116714 /nfs/dbraw/zinc/11/67/14/450116714.db2.gz CPWSWOZEPLTLTE-XMQCVEROSA-N 1 2 332.425 1.830 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1C#N ZINC000599633174 450116720 /nfs/dbraw/zinc/11/67/20/450116720.db2.gz CPWSWOZEPLTLTE-XMQCVEROSA-N 1 2 332.425 1.830 20 30 EDEDLO N#C[C@@]1(F)CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000615529355 450125560 /nfs/dbraw/zinc/12/55/60/450125560.db2.gz VWKBCJJKOUAHIJ-SFHVURJKSA-N 1 2 346.406 1.666 20 30 EDEDLO N#C[C@@]1(F)CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000615530952 450126287 /nfs/dbraw/zinc/12/62/87/450126287.db2.gz GYNWGQQZDOJAGH-INIZCTEOSA-N 1 2 333.367 1.065 20 30 EDEDLO N#Cc1ccc(Cn2cc([C@H]3COCC[NH2+]3)nn2)c(OC(F)F)c1 ZINC000603231738 450161134 /nfs/dbraw/zinc/16/11/34/450161134.db2.gz CFUSGCHZOYCHBS-CYBMUJFWSA-N 1 2 335.314 1.460 20 30 EDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nc(C(C)(C)C)ccc1C#N ZINC000613427205 450175154 /nfs/dbraw/zinc/17/51/54/450175154.db2.gz VLHBKSBXHKHDKS-HNNXBMFYSA-N 1 2 332.448 1.380 20 30 EDEDLO CC[C@](C)(C#N)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601641860 450135416 /nfs/dbraw/zinc/13/54/16/450135416.db2.gz DQCJNKFNMJJKJE-GOSISDBHSA-N 1 2 347.484 1.807 20 30 EDEDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000601735028 450199701 /nfs/dbraw/zinc/19/97/01/450199701.db2.gz MDLREEQGIUCIPW-DYVFJYSZSA-N 1 2 339.436 1.037 20 30 EDEDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000601735028 450199704 /nfs/dbraw/zinc/19/97/04/450199704.db2.gz MDLREEQGIUCIPW-DYVFJYSZSA-N 1 2 339.436 1.037 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597710065 450213631 /nfs/dbraw/zinc/21/36/31/450213631.db2.gz PYQBWVDCIUYORW-RDJZCZTQSA-N 1 2 343.427 1.649 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Nc1nn(C)cc1C#N ZINC000610562001 450261257 /nfs/dbraw/zinc/26/12/57/450261257.db2.gz GZPMVPJRDPWDMI-UHFFFAOYSA-N 1 2 337.387 2.162 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000619033180 450385111 /nfs/dbraw/zinc/38/51/11/450385111.db2.gz BDVOQZIXMOXWBP-GJZGRUSLSA-N 1 2 330.432 1.981 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000610821386 450346139 /nfs/dbraw/zinc/34/61/39/450346139.db2.gz OAJFHMRJCWWWAU-UHFFFAOYSA-N 1 2 342.378 1.781 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629435905 450679147 /nfs/dbraw/zinc/67/91/47/450679147.db2.gz PRSGHALSGWLBKT-HKUYNNGSSA-N 1 2 347.459 1.627 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629435905 450679154 /nfs/dbraw/zinc/67/91/54/450679154.db2.gz PRSGHALSGWLBKT-HKUYNNGSSA-N 1 2 347.459 1.627 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)OCC ZINC000629437109 450683388 /nfs/dbraw/zinc/68/33/88/450683388.db2.gz HGCSNIKVHKBRKS-MSOLQXFVSA-N 1 2 347.459 1.770 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)OCC ZINC000629437109 450683391 /nfs/dbraw/zinc/68/33/91/450683391.db2.gz HGCSNIKVHKBRKS-MSOLQXFVSA-N 1 2 347.459 1.770 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000636571708 451314343 /nfs/dbraw/zinc/31/43/43/451314343.db2.gz VVYXBOQCMMUGBQ-UHFFFAOYSA-N 1 2 332.448 1.597 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(OC)cc2OC)nn1 ZINC000640783289 451577196 /nfs/dbraw/zinc/57/71/96/451577196.db2.gz HOHIOMAWZOQHSS-UHFFFAOYSA-N 1 2 343.387 1.047 20 30 EDEDLO C=CCN(CC=C)C(=O)Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000640792438 451585314 /nfs/dbraw/zinc/58/53/14/451585314.db2.gz UJFBRPDLTGVMLN-UHFFFAOYSA-N 1 2 343.406 1.908 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000637119870 451730966 /nfs/dbraw/zinc/73/09/66/451730966.db2.gz WYQZABCTLYHALT-PBHICJAKSA-N 1 2 325.453 1.256 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000637119870 451730970 /nfs/dbraw/zinc/73/09/70/451730970.db2.gz WYQZABCTLYHALT-PBHICJAKSA-N 1 2 325.453 1.256 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000645134010 452170191 /nfs/dbraw/zinc/17/01/91/452170191.db2.gz RYMGTGOPNHTRCZ-ROUUACIJSA-N 1 2 345.443 1.133 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000645168707 452191288 /nfs/dbraw/zinc/19/12/88/452191288.db2.gz PCQHKCWJFFBPSQ-ZWKOTPCHSA-N 1 2 345.443 1.133 20 30 EDEDLO C=CCOCCNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000655783820 452578956 /nfs/dbraw/zinc/57/89/56/452578956.db2.gz LAXHTGSNOCXKCN-UHFFFAOYSA-N 1 2 337.420 1.326 20 30 EDEDLO C=CCn1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000648717741 453207124 /nfs/dbraw/zinc/20/71/24/453207124.db2.gz SWHJVXPXPKSONB-UHFFFAOYSA-N 1 2 341.415 1.226 20 30 EDEDLO C=CCn1cc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)nn1 ZINC000648785968 453271671 /nfs/dbraw/zinc/27/16/71/453271671.db2.gz LQHHSXWQGJXDEK-CQSZACIVSA-N 1 2 335.358 1.775 20 30 EDEDLO C=CCOCCCNC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000658703444 453291612 /nfs/dbraw/zinc/29/16/12/453291612.db2.gz QLDRVLGZTMAEEY-LSDHHAIUSA-N 1 2 334.420 1.002 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000665037741 453550042 /nfs/dbraw/zinc/55/00/42/453550042.db2.gz LTTLFZKLKILAQO-RDBSUJKOSA-N 1 2 336.436 1.513 20 30 EDEDLO C=C[C@@H](O)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000665423674 453689085 /nfs/dbraw/zinc/68/90/85/453689085.db2.gz YDYDIWHDACBYED-MRXNPFEDSA-N 1 2 328.416 1.142 20 30 EDEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000665423674 453689088 /nfs/dbraw/zinc/68/90/88/453689088.db2.gz YDYDIWHDACBYED-MRXNPFEDSA-N 1 2 328.416 1.142 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000665512213 453726293 /nfs/dbraw/zinc/72/62/93/453726293.db2.gz AYTRPSFWMIZPRI-QGZVFWFLSA-N 1 2 330.432 1.197 20 30 EDEDLO C=CCCn1cc(C[NH2+]CC(=O)N(CC)Cc2ccccc2)nn1 ZINC000657332412 453768047 /nfs/dbraw/zinc/76/80/47/453768047.db2.gz GTYUXEOVBTWURN-UHFFFAOYSA-N 1 2 327.432 1.993 20 30 EDEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@@H](C)COC ZINC000661244762 453772543 /nfs/dbraw/zinc/77/25/43/453772543.db2.gz XWBLHHRXTULOAG-AWEZNQCLSA-N 1 2 333.432 1.850 20 30 EDEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@@H](C)COC ZINC000661244762 453772547 /nfs/dbraw/zinc/77/25/47/453772547.db2.gz XWBLHHRXTULOAG-AWEZNQCLSA-N 1 2 333.432 1.850 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2nc(C)no2)CC1 ZINC000101545741 526542144 /nfs/dbraw/zinc/54/21/44/526542144.db2.gz GKBUXBHYHQRWAV-AWEZNQCLSA-N 1 2 335.452 1.309 20 30 EDEDLO C=CC1CC[NH+](CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000111259320 526979228 /nfs/dbraw/zinc/97/92/28/526979228.db2.gz YOVMCAOHXJBORJ-MRXNPFEDSA-N 1 2 342.505 1.556 20 30 EDEDLO C=CCC[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000190157397 527462521 /nfs/dbraw/zinc/46/25/21/527462521.db2.gz NVCDHRDDCGPWGN-MOPGFXCFSA-N 1 2 346.471 1.888 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558230 528360875 /nfs/dbraw/zinc/36/08/75/528360875.db2.gz RWLROTWWHVBSLA-UHFFFAOYSA-N 1 2 343.406 1.582 20 30 EDEDLO C[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000332397682 536417626 /nfs/dbraw/zinc/41/76/26/536417626.db2.gz UEDHMGNWKXBXOX-NXEZZACHSA-N 1 2 333.335 1.580 20 30 EDEDLO C[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000332397682 536417629 /nfs/dbraw/zinc/41/76/29/536417629.db2.gz UEDHMGNWKXBXOX-NXEZZACHSA-N 1 2 333.335 1.580 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000728174267 578544526 /nfs/dbraw/zinc/54/45/26/578544526.db2.gz MSJIACVYHYRDEJ-INIZCTEOSA-N 1 2 329.400 1.402 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000728174267 578544527 /nfs/dbraw/zinc/54/45/27/578544527.db2.gz MSJIACVYHYRDEJ-INIZCTEOSA-N 1 2 329.400 1.402 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000732070982 578689644 /nfs/dbraw/zinc/68/96/44/578689644.db2.gz MXXZDVBKLZYWIW-AWEZNQCLSA-N 1 2 328.351 1.146 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 ZINC000732070982 578689645 /nfs/dbraw/zinc/68/96/45/578689645.db2.gz MXXZDVBKLZYWIW-AWEZNQCLSA-N 1 2 328.351 1.146 20 30 EDEDLO C#CCOC(=O)CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000732357483 578707746 /nfs/dbraw/zinc/70/77/46/578707746.db2.gz GGCLHEKOSSDSQZ-UHFFFAOYSA-N 1 2 336.413 1.595 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000732789162 578728830 /nfs/dbraw/zinc/72/88/30/578728830.db2.gz JPDMNQBURDHMDJ-SJORKVTESA-N 1 2 343.402 1.487 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000732789162 578728831 /nfs/dbraw/zinc/72/88/31/578728831.db2.gz JPDMNQBURDHMDJ-SJORKVTESA-N 1 2 343.402 1.487 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812611 578731479 /nfs/dbraw/zinc/73/14/79/578731479.db2.gz FMOHJOQGQBZAFV-RYUDHWBXSA-N 1 2 348.369 1.090 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812611 578731480 /nfs/dbraw/zinc/73/14/80/578731480.db2.gz FMOHJOQGQBZAFV-RYUDHWBXSA-N 1 2 348.369 1.090 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1 ZINC000732964938 578736976 /nfs/dbraw/zinc/73/69/76/578736976.db2.gz BVAIATJPCPNLDC-INIZCTEOSA-N 1 2 339.395 1.685 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1 ZINC000732964938 578736977 /nfs/dbraw/zinc/73/69/77/578736977.db2.gz BVAIATJPCPNLDC-INIZCTEOSA-N 1 2 339.395 1.685 20 30 EDEDLO CCCC(C)N=Nc1ncccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000734750668 578835421 /nfs/dbraw/zinc/83/54/21/578835421.db2.gz COCUHYWWIYFIMC-UHFFFAOYSA-N 1 2 339.465 1.606 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3occc3s2)CC1 ZINC000736075246 578951350 /nfs/dbraw/zinc/95/13/50/578951350.db2.gz PSVGDYAUGRDMKE-UHFFFAOYSA-N 1 2 345.424 1.392 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3occc3s2)CC1 ZINC000736075246 578951351 /nfs/dbraw/zinc/95/13/51/578951351.db2.gz PSVGDYAUGRDMKE-UHFFFAOYSA-N 1 2 345.424 1.392 20 30 EDEDLO CCC1(O)CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000744410322 579509789 /nfs/dbraw/zinc/50/97/89/579509789.db2.gz BLKXDLRTXYFSHO-UHFFFAOYSA-N 1 2 326.400 1.657 20 30 EDEDLO COc1ccc(CNC(=O)NCCNc2cccc[nH+]2)cc1C#N ZINC000746773043 579609979 /nfs/dbraw/zinc/60/99/79/579609979.db2.gz PPZAPCWEUFRVMV-UHFFFAOYSA-N 1 2 325.372 1.873 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(Cl)c(C(=O)OC)c2)CC1 ZINC000749991551 579747202 /nfs/dbraw/zinc/74/72/02/579747202.db2.gz YUYORVLVNCPOHY-UHFFFAOYSA-N 1 2 349.818 1.316 20 30 EDEDLO Cc1ccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)c(N(C)C)[nH+]1 ZINC000750529716 579769163 /nfs/dbraw/zinc/76/91/63/579769163.db2.gz YEEFMFVQZGMNBA-BMRADRMJSA-N 1 2 343.387 1.311 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000751977990 579831470 /nfs/dbraw/zinc/83/14/70/579831470.db2.gz BMWPMQPRTFWOAM-UHFFFAOYSA-N 1 2 337.401 1.066 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C[C@@H]1C[C@@H]1c1ccccc1 ZINC000755499758 579928137 /nfs/dbraw/zinc/92/81/37/579928137.db2.gz STCDJWDURHBDHT-JKSUJKDBSA-N 1 2 332.473 1.572 20 30 EDEDLO CC(C)C[N@H+](CCC#N)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000755670021 579932140 /nfs/dbraw/zinc/93/21/40/579932140.db2.gz KOLWTMSJWOHIER-OAHLLOKOSA-N 1 2 331.416 1.814 20 30 EDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000755670021 579932141 /nfs/dbraw/zinc/93/21/41/579932141.db2.gz KOLWTMSJWOHIER-OAHLLOKOSA-N 1 2 331.416 1.814 20 30 EDEDLO C#CCNC(=S)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000758193057 579976544 /nfs/dbraw/zinc/97/65/44/579976544.db2.gz PYAUZHIUAGLGOP-UHFFFAOYSA-N 1 2 337.876 1.844 20 30 EDEDLO COc1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cc(OC)c1O ZINC000761839797 580062503 /nfs/dbraw/zinc/06/25/03/580062503.db2.gz VVUSGNOWJSMBKZ-UHFFFAOYSA-N 1 2 340.343 1.831 20 30 EDEDLO C#CCOc1cccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000762546079 580077163 /nfs/dbraw/zinc/07/71/63/580077163.db2.gz JFIFPXROVYVERM-UHFFFAOYSA-N 1 2 348.362 1.601 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763721448 580105069 /nfs/dbraw/zinc/10/50/69/580105069.db2.gz AVFHUPGXVNWTJC-CYBMUJFWSA-N 1 2 342.399 1.641 20 30 EDEDLO Cc1cc(C#N)cc(C)c1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000766060050 580157848 /nfs/dbraw/zinc/15/78/48/580157848.db2.gz QWFYIKQLVNDUPW-UHFFFAOYSA-N 1 2 338.429 1.606 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1 ZINC000766142381 580160125 /nfs/dbraw/zinc/16/01/25/580160125.db2.gz QNMOGKACDCJYFC-AWEZNQCLSA-N 1 2 332.404 1.217 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1 ZINC000766142381 580160126 /nfs/dbraw/zinc/16/01/26/580160126.db2.gz QNMOGKACDCJYFC-AWEZNQCLSA-N 1 2 332.404 1.217 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@H](CCC(N)=O)C3)c1=O)CCC2 ZINC000766618784 580170442 /nfs/dbraw/zinc/17/04/42/580170442.db2.gz FTDNXYOIGPSUQP-CYBMUJFWSA-N 1 2 328.416 1.144 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@H](CCC(N)=O)C3)c1=O)CCC2 ZINC000766618784 580170443 /nfs/dbraw/zinc/17/04/43/580170443.db2.gz FTDNXYOIGPSUQP-CYBMUJFWSA-N 1 2 328.416 1.144 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnc(Cl)c(OC)c2)CC1 ZINC000767729092 580198069 /nfs/dbraw/zinc/19/80/69/580198069.db2.gz PDXNFMBHDPKNRB-UHFFFAOYSA-N 1 2 343.836 1.073 20 30 EDEDLO C[C@H](C#N)Oc1ccc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1 ZINC000769479919 580238064 /nfs/dbraw/zinc/23/80/64/580238064.db2.gz KKEJUEUMVCYJKK-IQMFZBJNSA-N 1 2 335.473 1.474 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NOC3CCOCC3)CC2)cc1 ZINC000773534856 580340073 /nfs/dbraw/zinc/34/00/73/580340073.db2.gz ZJUACVSMKBSJRS-UHFFFAOYSA-N 1 2 344.415 1.496 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCO1 ZINC000773566227 580341724 /nfs/dbraw/zinc/34/17/24/580341724.db2.gz ZGIJLJKUCRHBGT-IRXDYDNUSA-N 1 2 328.416 1.090 20 30 EDEDLO C#CCCCNC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000775078683 580382392 /nfs/dbraw/zinc/38/23/92/580382392.db2.gz GJEGZVTZNHOGTK-OAHLLOKOSA-N 1 2 335.835 1.589 20 30 EDEDLO N#Cc1cccnc1NCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000778647464 580469566 /nfs/dbraw/zinc/46/95/66/580469566.db2.gz TUTGLTTWMGPGOL-UHFFFAOYSA-N 1 2 333.355 1.376 20 30 EDEDLO COC(=O)[C@@]1(F)CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000778948760 580476446 /nfs/dbraw/zinc/47/64/46/580476446.db2.gz SQXOTYDBXGRBMF-CRAIPNDOSA-N 1 2 345.374 1.641 20 30 EDEDLO COC(=O)[C@@]1(F)CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000778948760 580476447 /nfs/dbraw/zinc/47/64/47/580476447.db2.gz SQXOTYDBXGRBMF-CRAIPNDOSA-N 1 2 345.374 1.641 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000780863056 580535365 /nfs/dbraw/zinc/53/53/65/580535365.db2.gz PXKVLTXIVVXSDX-SFHVURJKSA-N 1 2 336.395 1.331 20 30 EDEDLO COCCC[N@H+](CCO)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000782579432 580578407 /nfs/dbraw/zinc/57/84/07/580578407.db2.gz OYSIBNJFULJCCW-CYBMUJFWSA-N 1 2 347.440 1.803 20 30 EDEDLO COCCC[N@@H+](CCO)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000782579432 580578408 /nfs/dbraw/zinc/57/84/08/580578408.db2.gz OYSIBNJFULJCCW-CYBMUJFWSA-N 1 2 347.440 1.803 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000782968704 580589610 /nfs/dbraw/zinc/58/96/10/580589610.db2.gz MSYLDNMCFUGOHH-UHFFFAOYSA-N 1 2 331.463 1.206 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000785425082 580643650 /nfs/dbraw/zinc/64/36/50/580643650.db2.gz CFNGCDGKTACURV-IRXDYDNUSA-N 1 2 331.460 1.524 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000785425082 580643651 /nfs/dbraw/zinc/64/36/51/580643651.db2.gz CFNGCDGKTACURV-IRXDYDNUSA-N 1 2 331.460 1.524 20 30 EDEDLO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000787611627 580699320 /nfs/dbraw/zinc/69/93/20/580699320.db2.gz XLYORJQJPVJXPN-AWEZNQCLSA-N 1 2 325.372 1.773 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1 ZINC000789599674 580750275 /nfs/dbraw/zinc/75/02/75/580750275.db2.gz JCRZVKAXDVZULC-UHFFFAOYSA-N 1 2 349.713 1.004 20 30 EDEDLO Cc1nc(C#N)c(N2CCC(C(=O)OCCc3c[nH+]cn3C)CC2)o1 ZINC000793243014 580839264 /nfs/dbraw/zinc/83/92/64/580839264.db2.gz SMJKEWLIJXKYNY-UHFFFAOYSA-N 1 2 343.387 1.591 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CCC[C@@H]1c1ccccn1 ZINC000794868133 580907050 /nfs/dbraw/zinc/90/70/50/580907050.db2.gz GGVHKBJCMKXVAM-CQSZACIVSA-N 1 2 347.488 1.501 20 30 EDEDLO COC[C@@H](C)NC(=S)N[NH+]=Cc1c(C)nn(-c2ccccc2)c1N ZINC000794871301 580907103 /nfs/dbraw/zinc/90/71/03/580907103.db2.gz GZROTKQBAQISOH-LLVKDONJSA-N 1 2 346.460 1.596 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000799057328 581015044 /nfs/dbraw/zinc/01/50/44/581015044.db2.gz IWHNFOABDJOOIU-GOSISDBHSA-N 1 2 336.395 1.644 20 30 EDEDLO COC[C@H](C)NC(=S)N[NH+]=C(C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799106763 581016924 /nfs/dbraw/zinc/01/69/24/581016924.db2.gz FRYGLUOYLXMRQQ-QMMMGPOBSA-N 1 2 325.394 1.400 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccnc2Cl)C1=O ZINC000799176258 581021346 /nfs/dbraw/zinc/02/13/46/581021346.db2.gz KSRLWAJHHIDFBX-DGCLKSJQSA-N 1 2 336.823 1.781 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cccnc2Cl)C1=O ZINC000799176258 581021347 /nfs/dbraw/zinc/02/13/47/581021347.db2.gz KSRLWAJHHIDFBX-DGCLKSJQSA-N 1 2 336.823 1.781 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H](O)c3ccc(F)cn3)CC2)c1 ZINC000799295459 581024165 /nfs/dbraw/zinc/02/41/65/581024165.db2.gz MJPLXRJDLQVROJ-MRXNPFEDSA-N 1 2 327.363 1.343 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)cn1 ZINC000801552584 581079577 /nfs/dbraw/zinc/07/95/77/581079577.db2.gz FBFLQFPDXHJKEG-XMMPIXPASA-N 1 2 340.452 1.883 20 30 EDEDLO CN(C)c1ccc(CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)c[nH+]1 ZINC000891882518 590669090 /nfs/dbraw/zinc/66/90/90/590669090.db2.gz ANAMXOJYVOEYHY-UHFFFAOYSA-N 1 2 344.415 1.695 20 30 EDEDLO C#CCCCc1nnc(N2CC[NH+](CC#C)CC2)n1CCCOCC ZINC000909370681 590903767 /nfs/dbraw/zinc/90/37/67/590903767.db2.gz MHLVRGCZHXUROZ-UHFFFAOYSA-N 1 2 343.475 1.416 20 30 EDEDLO C#CCNC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2cc[nH+]c21 ZINC000891568258 591130154 /nfs/dbraw/zinc/13/01/54/591130154.db2.gz PEZWVRLPIKBXPV-LBPRGKRZSA-N 1 2 345.403 1.206 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C)c(F)c2)C1 ZINC000891602814 591144515 /nfs/dbraw/zinc/14/45/15/591144515.db2.gz MMQGPVPPWDRQQX-CQSZACIVSA-N 1 2 346.406 1.044 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C)c(F)c2)C1 ZINC000891602814 591144519 /nfs/dbraw/zinc/14/45/19/591144519.db2.gz MMQGPVPPWDRQQX-CQSZACIVSA-N 1 2 346.406 1.044 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000891605501 591146489 /nfs/dbraw/zinc/14/64/89/591146489.db2.gz FVWVHWOEORSWGZ-AWEZNQCLSA-N 1 2 333.819 1.801 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000891605501 591146492 /nfs/dbraw/zinc/14/64/92/591146492.db2.gz FVWVHWOEORSWGZ-AWEZNQCLSA-N 1 2 333.819 1.801 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000891606395 591147740 /nfs/dbraw/zinc/14/77/40/591147740.db2.gz LWFTULRNPSDVCL-CQSZACIVSA-N 1 2 335.354 1.777 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000891606395 591147742 /nfs/dbraw/zinc/14/77/42/591147742.db2.gz LWFTULRNPSDVCL-CQSZACIVSA-N 1 2 335.354 1.777 20 30 EDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000898503694 591390362 /nfs/dbraw/zinc/39/03/62/591390362.db2.gz XSBWUEBZJYUMEO-IAGOWNOFSA-N 1 2 328.391 1.791 20 30 EDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1 ZINC000898503694 591390367 /nfs/dbraw/zinc/39/03/67/591390367.db2.gz XSBWUEBZJYUMEO-IAGOWNOFSA-N 1 2 328.391 1.791 20 30 EDEDLO C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896546819 591507983 /nfs/dbraw/zinc/50/79/83/591507983.db2.gz YKHBUVQNACHAOB-YOEHRIQHSA-N 1 2 328.460 1.852 20 30 EDEDLO C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896546819 591507988 /nfs/dbraw/zinc/50/79/88/591507988.db2.gz YKHBUVQNACHAOB-YOEHRIQHSA-N 1 2 328.460 1.852 20 30 EDEDLO C[C@@]1(C#N)CN(Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000897589276 591571235 /nfs/dbraw/zinc/57/12/35/591571235.db2.gz VOZXUXCOGURSNN-LJQANCHMSA-N 1 2 345.443 1.512 20 30 EDEDLO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000897651944 591606116 /nfs/dbraw/zinc/60/61/16/591606116.db2.gz PPEPGNONMYSGSH-VXGBXAGGSA-N 1 2 338.433 1.739 20 30 EDEDLO Cc1[nH+]c2ccccn2c1CNC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000898959259 591616803 /nfs/dbraw/zinc/61/68/03/591616803.db2.gz MDXMKCCAOWIGAP-KBPBESRZSA-N 1 2 340.431 1.771 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000896949101 591692467 /nfs/dbraw/zinc/69/24/67/591692467.db2.gz OUCNJSIKTFMAMV-MRXNPFEDSA-N 1 2 339.439 1.437 20 30 EDEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000896978336 591698994 /nfs/dbraw/zinc/69/89/94/591698994.db2.gz OCWVFEGOGROMOV-GOSISDBHSA-N 1 2 346.431 1.805 20 30 EDEDLO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000896978336 591698998 /nfs/dbraw/zinc/69/89/98/591698998.db2.gz OCWVFEGOGROMOV-GOSISDBHSA-N 1 2 346.431 1.805 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)cc1 ZINC000899149031 591707979 /nfs/dbraw/zinc/70/79/79/591707979.db2.gz NMASELJMEUKMFJ-LJQANCHMSA-N 1 2 335.407 1.694 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)cc1 ZINC000899149031 591707983 /nfs/dbraw/zinc/70/79/83/591707983.db2.gz NMASELJMEUKMFJ-LJQANCHMSA-N 1 2 335.407 1.694 20 30 EDEDLO Cc1cccc2[nH+]c(CCNC(=O)N3CCO[C@](C)(C#N)C3)cn21 ZINC000895536019 591795050 /nfs/dbraw/zinc/79/50/50/591795050.db2.gz SOLDVDVJULKZRZ-QGZVFWFLSA-N 1 2 327.388 1.509 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(Cc2ccccc2F)no1 ZINC000899457125 591808832 /nfs/dbraw/zinc/80/88/32/591808832.db2.gz UVAJGVFOYKYLJR-HNNXBMFYSA-N 1 2 342.374 1.513 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(Cc2ccccc2F)no1 ZINC000899457125 591808835 /nfs/dbraw/zinc/80/88/35/591808835.db2.gz UVAJGVFOYKYLJR-HNNXBMFYSA-N 1 2 342.374 1.513 20 30 EDEDLO Cc1noc(Cc2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2)n1 ZINC000899896310 591974060 /nfs/dbraw/zinc/97/40/60/591974060.db2.gz KUTHVEUYIULIDH-INIZCTEOSA-N 1 2 329.404 1.587 20 30 EDEDLO Cc1noc(Cc2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2)n1 ZINC000899896310 591974061 /nfs/dbraw/zinc/97/40/61/591974061.db2.gz KUTHVEUYIULIDH-INIZCTEOSA-N 1 2 329.404 1.587 20 30 EDEDLO COCC[C@H]1CCN(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000902351693 591984873 /nfs/dbraw/zinc/98/48/73/591984873.db2.gz FQUMIGVANXEPBZ-QGZVFWFLSA-N 1 2 342.443 1.523 20 30 EDEDLO CCCN1C/C(=C/c2cncn2C)C(=O)/C(=C\c2c[nH+]cn2C)C1 ZINC000901416796 592357089 /nfs/dbraw/zinc/35/70/89/592357089.db2.gz GQVRVYMWRVWSKQ-LRSUZXNRSA-N 1 2 325.416 1.915 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(-c3nccs3)c2)CC1 ZINC000901487203 592372541 /nfs/dbraw/zinc/37/25/41/592372541.db2.gz MRFDMTLVRMEBPJ-UHFFFAOYSA-N 1 2 340.452 1.999 20 30 EDEDLO C=CC[C@@H]([NH2+]CCc1ccccc1S(=O)(=O)CC)C(=O)OC ZINC000901576012 592402478 /nfs/dbraw/zinc/40/24/78/592402478.db2.gz SZORNAICSVFNKI-CQSZACIVSA-N 1 2 325.430 1.730 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCOCC)[C@@H](C)C2)cc1 ZINC000906957693 592435356 /nfs/dbraw/zinc/43/53/56/592435356.db2.gz SYDZFPDPUBZYMW-HNNXBMFYSA-N 1 2 336.457 1.399 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@H+](CCOCC)[C@@H](C)C2)cc1 ZINC000906957693 592435360 /nfs/dbraw/zinc/43/53/60/592435360.db2.gz SYDZFPDPUBZYMW-HNNXBMFYSA-N 1 2 336.457 1.399 20 30 EDEDLO O=C(NCC#Cc1ccccc1)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000905674677 592608022 /nfs/dbraw/zinc/60/80/22/592608022.db2.gz WWQFZVKNCWIMSO-HNNXBMFYSA-N 1 2 325.368 1.023 20 30 EDEDLO O=C(NCC#Cc1ccccc1)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000905674677 592608025 /nfs/dbraw/zinc/60/80/25/592608025.db2.gz WWQFZVKNCWIMSO-HNNXBMFYSA-N 1 2 325.368 1.023 20 30 EDEDLO N#CC1(C[C@@H](O)C[NH2+]CC(F)(F)C2(O)CCCCC2)CCOCC1 ZINC000905714178 592621486 /nfs/dbraw/zinc/62/14/86/592621486.db2.gz YVCGBGLCRFDWFC-CQSZACIVSA-N 1 2 346.418 1.978 20 30 EDEDLO C[C@@H]1CC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCO1 ZINC000905739516 592633474 /nfs/dbraw/zinc/63/34/74/592633474.db2.gz OLFCJAQOUXMTKR-CQSZACIVSA-N 1 2 342.399 1.391 20 30 EDEDLO C[C@@H]1CC[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCO1 ZINC000905739516 592633476 /nfs/dbraw/zinc/63/34/76/592633476.db2.gz OLFCJAQOUXMTKR-CQSZACIVSA-N 1 2 342.399 1.391 20 30 EDEDLO C=CC[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(=O)NC(C)C)c2C1)C(=O)OC ZINC000905764541 592639562 /nfs/dbraw/zinc/63/95/62/592639562.db2.gz SDNWVUJWXLIMDD-UKRRQHHQSA-N 1 2 348.447 1.291 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)CC(C)(C)C#N ZINC000907581001 592721023 /nfs/dbraw/zinc/72/10/23/592721023.db2.gz IEQSKIYUOFXMDV-INIZCTEOSA-N 1 2 339.399 1.582 20 30 EDEDLO C#CCC(C)(C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C(CO)CO ZINC000909300447 592794735 /nfs/dbraw/zinc/79/47/35/592794735.db2.gz NYFDPMABMDYCDY-UHFFFAOYSA-N 1 2 329.400 1.858 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000907797620 592799316 /nfs/dbraw/zinc/79/93/16/592799316.db2.gz FNQUQMZHCFFVHH-MJBXVCDLSA-N 1 2 325.438 1.293 20 30 EDEDLO CO[C@H]1CC[N@H+](Cc2nc(C(=O)N(CCC#N)CC3CC3)co2)C1 ZINC000906566295 592855082 /nfs/dbraw/zinc/85/50/82/592855082.db2.gz OZJUNOVPTWVVRF-AWEZNQCLSA-N 1 2 332.404 1.661 20 30 EDEDLO CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N(CCC#N)CC3CC3)co2)C1 ZINC000906566295 592855083 /nfs/dbraw/zinc/85/50/83/592855083.db2.gz OZJUNOVPTWVVRF-AWEZNQCLSA-N 1 2 332.404 1.661 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000798389686 593200547 /nfs/dbraw/zinc/20/05/47/593200547.db2.gz UGSRVIUPFBDLKQ-CQSZACIVSA-N 1 2 330.363 1.585 20 30 EDEDLO C=CCN(CC(=O)OCC)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000866990558 593204163 /nfs/dbraw/zinc/20/41/63/593204163.db2.gz ZCMSVICVVQBDIN-UHFFFAOYSA-N 1 2 327.384 1.993 20 30 EDEDLO COc1cc[nH+]cc1CON=C1C(=O)Nc2cc3c(cc21)OCCO3 ZINC000808248320 593245130 /nfs/dbraw/zinc/24/51/30/593245130.db2.gz FXRSGVZEVNIVFC-UHFFFAOYSA-N 1 2 341.323 1.734 20 30 EDEDLO C#CC[C@@H](NCc1c[nH+]c2ccc(Br)cn12)C(=O)OC ZINC000839166023 593269797 /nfs/dbraw/zinc/26/97/97/593269797.db2.gz IFRLSMTYGAHFTO-GFCCVEGCSA-N 1 2 336.189 1.751 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc3c(F)cc(F)cc3c2O)CC1 ZINC000806592610 593458980 /nfs/dbraw/zinc/45/89/80/593458980.db2.gz BGWFPGJIHCFDSM-UHFFFAOYSA-N 1 2 345.349 1.587 20 30 EDEDLO CN(C)c1[nH+]cc(C=Nn2c(=O)c3ccccc3[nH]c2=S)n1C ZINC000811636369 593475490 /nfs/dbraw/zinc/47/54/90/593475490.db2.gz FMDZDIPYHHWRDY-UHFFFAOYSA-N 1 2 328.401 1.367 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C(=O)C3(CCC3)[C@H]2[C@@H]2CCCO2)C1=O ZINC000811770700 593480622 /nfs/dbraw/zinc/48/06/22/593480622.db2.gz GCALBRIRCSUEIJ-HRCADAONSA-N 1 2 347.459 1.223 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C(=O)C3(CCC3)[C@H]2[C@@H]2CCCO2)C1=O ZINC000811770700 593480623 /nfs/dbraw/zinc/48/06/23/593480623.db2.gz GCALBRIRCSUEIJ-HRCADAONSA-N 1 2 347.459 1.223 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C(=O)C3(CCC3)[C@H]2[C@H]2CCCO2)C1=O ZINC000811770698 593480681 /nfs/dbraw/zinc/48/06/81/593480681.db2.gz GCALBRIRCSUEIJ-ARFHVFGLSA-N 1 2 347.459 1.223 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C(=O)C3(CCC3)[C@H]2[C@H]2CCCO2)C1=O ZINC000811770698 593480682 /nfs/dbraw/zinc/48/06/82/593480682.db2.gz GCALBRIRCSUEIJ-ARFHVFGLSA-N 1 2 347.459 1.223 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C(=O)C(C)(C)[C@H]2[C@@H]2CCCO2)C1=O ZINC000811771722 593480963 /nfs/dbraw/zinc/48/09/63/593480963.db2.gz OPAXJHUNDKOYNQ-SOUVJXGZSA-N 1 2 335.448 1.079 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C(=O)C(C)(C)[C@H]2[C@@H]2CCCO2)C1=O ZINC000811771722 593480964 /nfs/dbraw/zinc/48/09/64/593480964.db2.gz OPAXJHUNDKOYNQ-SOUVJXGZSA-N 1 2 335.448 1.079 20 30 EDEDLO O=C(NCC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1)C1N=CC=CC1=O ZINC000813859852 593558619 /nfs/dbraw/zinc/55/86/19/593558619.db2.gz MBNXTUBCLYKRRG-AQTLKONXSA-N 1 2 344.419 1.542 20 30 EDEDLO CCC(=[NH+]NC(=S)NCCN1CCOCC1)c1cccc(N)c1 ZINC000814716614 593601103 /nfs/dbraw/zinc/60/11/03/593601103.db2.gz FTEFKJZZXPPFLE-UHFFFAOYSA-N 1 2 335.477 1.179 20 30 EDEDLO CCOc1ccc(C(=O)N(C)C)cc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819456842 593755584 /nfs/dbraw/zinc/75/55/84/593755584.db2.gz DWFWAMFBCPXCIZ-OAHLLOKOSA-N 1 2 348.447 1.405 20 30 EDEDLO CCOc1ccc(C(=O)N(C)C)cc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819456842 593755585 /nfs/dbraw/zinc/75/55/85/593755585.db2.gz DWFWAMFBCPXCIZ-OAHLLOKOSA-N 1 2 348.447 1.405 20 30 EDEDLO C#C[C@@H](C)NC(=O)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000820436288 593818995 /nfs/dbraw/zinc/81/89/95/593818995.db2.gz VCDHGRJAIJDPEF-CJNGLKHVSA-N 1 2 335.835 1.722 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)c1 ZINC000820721647 593871737 /nfs/dbraw/zinc/87/17/37/593871737.db2.gz KHUJYWMYZVKANH-INIZCTEOSA-N 1 2 348.468 1.650 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2CC)c1 ZINC000820721647 593871738 /nfs/dbraw/zinc/87/17/38/593871738.db2.gz KHUJYWMYZVKANH-INIZCTEOSA-N 1 2 348.468 1.650 20 30 EDEDLO C=CCN(CC(=O)OCC)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000821329615 594019012 /nfs/dbraw/zinc/01/90/12/594019012.db2.gz JARGGQBFHDSZIN-LLVKDONJSA-N 1 2 333.310 1.954 20 30 EDEDLO C=CC1(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CN(C(=O)OC(C)(C)C)C1 ZINC000821385068 594033980 /nfs/dbraw/zinc/03/39/80/594033980.db2.gz FSCMIMJNLHPIMC-CYBMUJFWSA-N 1 2 346.431 1.737 20 30 EDEDLO C#CCn1cc(CNC(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)cn1 ZINC000822494304 594057113 /nfs/dbraw/zinc/05/71/13/594057113.db2.gz JNAZWDOMMHLEQA-GOSISDBHSA-N 1 2 338.411 1.416 20 30 EDEDLO C#CCn1cc(CNC(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)cn1 ZINC000822494304 594057114 /nfs/dbraw/zinc/05/71/14/594057114.db2.gz JNAZWDOMMHLEQA-GOSISDBHSA-N 1 2 338.411 1.416 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2sc(N(C)C)nc2Cl)CC1 ZINC000822935604 594124991 /nfs/dbraw/zinc/12/49/91/594124991.db2.gz VWQWDXGZFIMAQY-UHFFFAOYSA-N 1 2 326.853 1.644 20 30 EDEDLO COc1cncc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 ZINC000825509483 594194821 /nfs/dbraw/zinc/19/48/21/594194821.db2.gz LDZTVYXFFGTPAF-ZFWWWQNUSA-N 1 2 332.404 1.939 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000826104910 594332487 /nfs/dbraw/zinc/33/24/87/594332487.db2.gz JJJHPMKQZODGNO-MRXNPFEDSA-N 1 2 345.443 1.738 20 30 EDEDLO Cc1cc[nH+]c(N2CCN(c3cc(C#N)ccn3)CC2)c1-c1nn[nH]n1 ZINC000826310968 594418469 /nfs/dbraw/zinc/41/84/69/594418469.db2.gz OXWVIEWMMSSLMM-UHFFFAOYSA-N 1 2 347.386 1.163 20 30 EDEDLO N#C[C@@]1(C(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)CCCOC1 ZINC000829034076 594554087 /nfs/dbraw/zinc/55/40/87/594554087.db2.gz ATSLNWHMFPLXQC-YJBOKZPZSA-N 1 2 326.400 1.713 20 30 EDEDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000831686846 594692600 /nfs/dbraw/zinc/69/26/00/594692600.db2.gz BRBFHMYCJCYLSI-LSDHHAIUSA-N 1 2 335.448 1.945 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(C#N)c(Cl)c2)C1 ZINC000867159933 594917177 /nfs/dbraw/zinc/91/71/77/594917177.db2.gz XFOMJLUPCLBOID-GFCCVEGCSA-N 1 2 330.793 1.251 20 30 EDEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(C#N)c(Cl)c2)C1 ZINC000867159933 594917180 /nfs/dbraw/zinc/91/71/80/594917180.db2.gz XFOMJLUPCLBOID-GFCCVEGCSA-N 1 2 330.793 1.251 20 30 EDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000842166505 595027672 /nfs/dbraw/zinc/02/76/72/595027672.db2.gz OZOGVHYYNZXAAZ-LBPRGKRZSA-N 1 2 328.409 1.066 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@H](c2cccs2)[NH+]2CCOCC2)C1=O ZINC000842236912 595048521 /nfs/dbraw/zinc/04/85/21/595048521.db2.gz XDZVUGKEYAWYOY-QWHCGFSZSA-N 1 2 333.413 1.065 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844308128 595321219 /nfs/dbraw/zinc/32/12/19/595321219.db2.gz QUARIZSBYPNIKR-ROUUACIJSA-N 1 2 340.427 1.852 20 30 EDEDLO C#CC[C@@H](NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)C(=O)OC ZINC000848219783 595341471 /nfs/dbraw/zinc/34/14/71/595341471.db2.gz CXVRJNXEEAJZDM-VHSXEESVSA-N 1 2 331.294 1.137 20 30 EDEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844530851 595355806 /nfs/dbraw/zinc/35/58/06/595355806.db2.gz JIKQKJSSILTMRA-CQSZACIVSA-N 1 2 335.320 1.385 20 30 EDEDLO CC1CCN(C(=S)SCC(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1 ZINC000844529713 595355812 /nfs/dbraw/zinc/35/58/12/595355812.db2.gz VOQQCLXPVZGGIL-HNNXBMFYSA-N 1 2 342.534 1.696 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000844530002 595355851 /nfs/dbraw/zinc/35/58/51/595355851.db2.gz ZMHHPBBCOWVVDS-GDBMZVCRSA-N 1 2 336.342 1.418 20 30 EDEDLO Cc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)NCC[NH+](C)C)S2)cc1C ZINC000106898496 595433464 /nfs/dbraw/zinc/43/34/64/595433464.db2.gz BIYNGDHXOJCPGM-CQSZACIVSA-N 1 2 348.472 1.590 20 30 EDEDLO Cc1cc(C)cc(/N=C2\NC(=O)[C@@H](CC(=O)NCC[NH+](C)C)S2)c1 ZINC000106898505 595433527 /nfs/dbraw/zinc/43/35/27/595433527.db2.gz QQHGJJYASSHUJT-CQSZACIVSA-N 1 2 348.472 1.590 20 30 EDEDLO COC(=O)/C=C\c1ccc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)o1 ZINC000848916279 595467524 /nfs/dbraw/zinc/46/75/24/595467524.db2.gz RXCWHQXEWNRFNK-WAYWQWQTSA-N 1 2 332.356 1.745 20 30 EDEDLO C=C(C)CONC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000845598150 595523439 /nfs/dbraw/zinc/52/34/39/595523439.db2.gz YMPCBVBIDSGCRN-HNNXBMFYSA-N 1 2 343.387 1.333 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757729 595530627 /nfs/dbraw/zinc/53/06/27/595530627.db2.gz JASMLPRGDHZSLD-NEPJUHHUSA-N 1 2 348.369 1.137 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757729 595530630 /nfs/dbraw/zinc/53/06/30/595530630.db2.gz JASMLPRGDHZSLD-NEPJUHHUSA-N 1 2 348.369 1.137 20 30 EDEDLO C=CCN(C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)[C@H](C)COC ZINC000850585824 595538546 /nfs/dbraw/zinc/53/85/46/595538546.db2.gz BGXJTGTXVPDRJE-CYBMUJFWSA-N 1 2 343.387 1.255 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C(=O)N(CC)CC)cc2)CC1 ZINC000112920655 595569263 /nfs/dbraw/zinc/56/92/63/595569263.db2.gz IBXAWGAQPACKNA-UHFFFAOYSA-N 1 2 327.428 1.560 20 30 EDEDLO C=CCCn1cc(Cn2nc(C)c([C@@H]3COCC[N@H+]3C)c2C)nn1 ZINC000852964065 595632726 /nfs/dbraw/zinc/63/27/26/595632726.db2.gz LSLPNDKONSOENM-INIZCTEOSA-N 1 2 330.436 1.719 20 30 EDEDLO C=CCCn1cc(Cn2nc(C)c([C@@H]3COCC[N@@H+]3C)c2C)nn1 ZINC000852964065 595632729 /nfs/dbraw/zinc/63/27/29/595632729.db2.gz LSLPNDKONSOENM-INIZCTEOSA-N 1 2 330.436 1.719 20 30 EDEDLO N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000855301376 595666577 /nfs/dbraw/zinc/66/65/77/595666577.db2.gz JUNUFGCEIOYUHZ-KXBFYZLASA-N 1 2 335.411 1.924 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000855301374 595666890 /nfs/dbraw/zinc/66/68/90/595666890.db2.gz JUNUFGCEIOYUHZ-DNVCBOLYSA-N 1 2 335.411 1.924 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CCn4c[nH+]cc43)C2)c(F)c1 ZINC000857978124 595674655 /nfs/dbraw/zinc/67/46/55/595674655.db2.gz KJDDQHMIXMAFPB-ZFWWWQNUSA-N 1 2 339.374 1.981 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857989691 595681233 /nfs/dbraw/zinc/68/12/33/595681233.db2.gz SSGBBTUCZGYRIU-CQSZACIVSA-N 1 2 325.372 1.666 20 30 EDEDLO Cc1ccc(NC(=O)CON=C(N)C[NH+]2CCSCC2)cc1C ZINC000136074976 595717963 /nfs/dbraw/zinc/71/79/63/595717963.db2.gz BMURBPBDGCBSDF-UHFFFAOYSA-N 1 2 336.461 1.580 20 30 EDEDLO C#Cc1cccnc1N1CC[NH+](CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000853301596 595731704 /nfs/dbraw/zinc/73/17/04/595731704.db2.gz JBVMSKDXMCKAJT-WMZOPIPTSA-N 1 2 340.471 1.880 20 30 EDEDLO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000853602174 595825658 /nfs/dbraw/zinc/82/56/58/595825658.db2.gz JUJWMXMJLQHBRJ-GFCCVEGCSA-N 1 2 336.465 1.211 20 30 EDEDLO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000853602174 595825661 /nfs/dbraw/zinc/82/56/61/595825661.db2.gz JUJWMXMJLQHBRJ-GFCCVEGCSA-N 1 2 336.465 1.211 20 30 EDEDLO Cc1ccc2nc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cn2c1 ZINC000858944031 595928828 /nfs/dbraw/zinc/92/88/28/595928828.db2.gz GFAWBWIIFDDHAQ-UHFFFAOYSA-N 1 2 341.415 1.331 20 30 EDEDLO C#CC[C@H](COC)NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000859027472 595954600 /nfs/dbraw/zinc/95/46/00/595954600.db2.gz JIXVPSOVHMBCOZ-CVEARBPZSA-N 1 2 344.390 1.986 20 30 EDEDLO Cc1cc(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)ncc1C#N ZINC000856615147 596036565 /nfs/dbraw/zinc/03/65/65/596036565.db2.gz BKMDEDDNOLBJAX-JKSUJKDBSA-N 1 2 349.394 1.252 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(N3CCCCC3)ncn2)CC1 ZINC000857039729 596146990 /nfs/dbraw/zinc/14/69/90/596146990.db2.gz HMWIKGXNNQIDRV-UHFFFAOYSA-N 1 2 327.432 1.248 20 30 EDEDLO N#C[C@]1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCOC1 ZINC000870986588 596430515 /nfs/dbraw/zinc/43/05/15/596430515.db2.gz MAKRERJXCCOYQT-QGZVFWFLSA-N 1 2 346.456 1.571 20 30 EDEDLO N#Cc1sccc1N1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000869235018 596455456 /nfs/dbraw/zinc/45/54/56/596455456.db2.gz INAZDSXTJVZXSP-UPHRSURJSA-N 1 2 346.456 1.157 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000867879051 596597889 /nfs/dbraw/zinc/59/78/89/596597889.db2.gz UCBKPNAHHJZPDL-UHFFFAOYSA-N 1 2 330.432 1.579 20 30 EDEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 ZINC000865890178 596712376 /nfs/dbraw/zinc/71/23/76/596712376.db2.gz RJWDONJEHGSCED-YJBOKZPZSA-N 1 2 328.416 1.607 20 30 EDEDLO N#Cc1ccccc1/C=C/C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870071337 596734919 /nfs/dbraw/zinc/73/49/19/596734919.db2.gz BWUHWHMQENVQGN-DUMMIQTOSA-N 1 2 341.411 1.131 20 30 EDEDLO C[NH+]1CCN(C2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000866212039 596829064 /nfs/dbraw/zinc/82/90/64/596829064.db2.gz HWBMBEUTHXICHX-UHFFFAOYSA-N 1 2 329.404 1.683 20 30 EDEDLO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(C#N)c1O ZINC000866262180 596841312 /nfs/dbraw/zinc/84/13/12/596841312.db2.gz KJLVDJMEVFLWNW-CYBMUJFWSA-N 1 2 330.432 1.467 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000868538383 596877179 /nfs/dbraw/zinc/87/71/79/596877179.db2.gz UKPDTWVSFIXXHX-ROUUACIJSA-N 1 2 329.444 1.907 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000868538383 596877181 /nfs/dbraw/zinc/87/71/81/596877181.db2.gz UKPDTWVSFIXXHX-ROUUACIJSA-N 1 2 329.444 1.907 20 30 EDEDLO Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(C#N)c1 ZINC000872456556 596916361 /nfs/dbraw/zinc/91/63/61/596916361.db2.gz HRVCIUZIFGBTBY-OAHLLOKOSA-N 1 2 349.456 1.210 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C[C@H]4CCCCN4C3=O)C2)nc1 ZINC000872612660 596990459 /nfs/dbraw/zinc/99/04/59/596990459.db2.gz IATZSUAPEIUMKK-HZPDHXFCSA-N 1 2 341.415 1.654 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C[C@H]4CCCCN4C3=O)C2)nc1 ZINC000872612660 596990461 /nfs/dbraw/zinc/99/04/61/596990461.db2.gz IATZSUAPEIUMKK-HZPDHXFCSA-N 1 2 341.415 1.654 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000874467581 597092889 /nfs/dbraw/zinc/09/28/89/597092889.db2.gz PUTRSJOFZDZCFZ-CQSZACIVSA-N 1 2 326.318 1.516 20 30 EDEDLO C#CCN(CC#CC)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000876123031 597099770 /nfs/dbraw/zinc/09/97/70/597099770.db2.gz ZZICAUDECMXUAG-UHFFFAOYSA-N 1 2 347.459 1.461 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000876122070 597099841 /nfs/dbraw/zinc/09/98/41/597099841.db2.gz HJWDOSSYVQBGCA-ZDUSSCGKSA-N 1 2 338.452 1.594 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1 ZINC000874891029 597211608 /nfs/dbraw/zinc/21/16/08/597211608.db2.gz FWNKSQSVIRDBSF-MSOLQXFVSA-N 1 2 339.370 1.904 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000877194442 597458316 /nfs/dbraw/zinc/45/83/16/597458316.db2.gz MNXVCBLAGCGNBP-UHFFFAOYSA-N 1 2 343.449 1.066 20 30 EDEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4ccc(C#N)cc4)CC3)cnc12 ZINC000877745391 597552436 /nfs/dbraw/zinc/55/24/36/597552436.db2.gz SFAYGAKEUVFGOC-UHFFFAOYSA-N 1 2 343.394 1.795 20 30 EDEDLO CNS(=O)(=O)[C@H]1CC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878289890 597592882 /nfs/dbraw/zinc/59/28/82/597592882.db2.gz JATNMVZFSROREA-IRXDYDNUSA-N 1 2 349.456 1.051 20 30 EDEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878289890 597592883 /nfs/dbraw/zinc/59/28/83/597592883.db2.gz JATNMVZFSROREA-IRXDYDNUSA-N 1 2 349.456 1.051 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000881438553 597619080 /nfs/dbraw/zinc/61/90/80/597619080.db2.gz YXJVIEKXHMWGGZ-FQEVSTJZSA-N 1 2 338.451 1.975 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000881438553 597619081 /nfs/dbraw/zinc/61/90/81/597619081.db2.gz YXJVIEKXHMWGGZ-FQEVSTJZSA-N 1 2 338.451 1.975 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC[N@H+]2CCOC[C@H]2CC)cc1 ZINC000878665802 597672667 /nfs/dbraw/zinc/67/26/67/597672667.db2.gz MVLUPWOUAWFBOB-MRXNPFEDSA-N 1 2 331.416 1.931 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC[N@@H+]2CCOC[C@H]2CC)cc1 ZINC000878665802 597672672 /nfs/dbraw/zinc/67/26/72/597672672.db2.gz MVLUPWOUAWFBOB-MRXNPFEDSA-N 1 2 331.416 1.931 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762472 597715357 /nfs/dbraw/zinc/71/53/57/597715357.db2.gz HPAQYWAUAPMQFT-DOMZBBRYSA-N 1 2 347.381 1.718 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762472 597715358 /nfs/dbraw/zinc/71/53/58/597715358.db2.gz HPAQYWAUAPMQFT-DOMZBBRYSA-N 1 2 347.381 1.718 20 30 EDEDLO C=CCCc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000881880215 597772706 /nfs/dbraw/zinc/77/27/06/597772706.db2.gz FFKZAMHAMSZBQB-INIZCTEOSA-N 1 2 337.489 1.329 20 30 EDEDLO C=CCCc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000881880215 597772709 /nfs/dbraw/zinc/77/27/09/597772709.db2.gz FFKZAMHAMSZBQB-INIZCTEOSA-N 1 2 337.489 1.329 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880577681 597968723 /nfs/dbraw/zinc/96/87/23/597968723.db2.gz BJJVMZYMEIYROD-IAGOWNOFSA-N 1 2 344.411 1.636 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880577681 597968726 /nfs/dbraw/zinc/96/87/26/597968726.db2.gz BJJVMZYMEIYROD-IAGOWNOFSA-N 1 2 344.411 1.636 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(Br)cc1 ZINC000884066397 597984574 /nfs/dbraw/zinc/98/45/74/597984574.db2.gz VJXGDLPZMAXQGI-LBPRGKRZSA-N 1 2 341.205 1.512 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1ccc(OC)c(Cl)c1 ZINC000884157452 598010489 /nfs/dbraw/zinc/01/04/89/598010489.db2.gz AHHDTGUINSIBFX-LBPRGKRZSA-N 1 2 326.780 1.758 20 30 EDEDLO C#CCC1(O)CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000882971481 598121812 /nfs/dbraw/zinc/12/18/12/598121812.db2.gz KEHMLBVUNSJWNV-UHFFFAOYSA-N 1 2 326.400 1.389 20 30 EDEDLO CCn1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)n1 ZINC000993205956 695796750 /nfs/dbraw/zinc/79/67/50/695796750.db2.gz SQRMHHHEMIBQFK-SUMWQHHRSA-N 1 2 340.431 1.886 20 30 EDEDLO CCn1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)n1 ZINC000993205956 695796751 /nfs/dbraw/zinc/79/67/51/695796751.db2.gz SQRMHHHEMIBQFK-SUMWQHHRSA-N 1 2 340.431 1.886 20 30 EDEDLO Cc1conc1C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000993236613 695865810 /nfs/dbraw/zinc/86/58/10/695865810.db2.gz QJAWGIAMGRKGNZ-TZMCWYRMSA-N 1 2 327.388 1.966 20 30 EDEDLO Cc1conc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000993236613 695865813 /nfs/dbraw/zinc/86/58/13/695865813.db2.gz QJAWGIAMGRKGNZ-TZMCWYRMSA-N 1 2 327.388 1.966 20 30 EDEDLO C=CCOc1cccnc1C(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001031231700 695922122 /nfs/dbraw/zinc/92/21/22/695922122.db2.gz JBPNDMCMWVMXMA-HIFRSBDPSA-N 1 2 331.416 1.628 20 30 EDEDLO Cc1ccc(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1C#N ZINC000915854014 696049501 /nfs/dbraw/zinc/04/95/01/696049501.db2.gz AUVYLGRGOIAZQE-UHFFFAOYSA-N 1 2 330.432 1.777 20 30 EDEDLO Cc1ccc(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1C#N ZINC000915854014 696049507 /nfs/dbraw/zinc/04/95/07/696049507.db2.gz AUVYLGRGOIAZQE-UHFFFAOYSA-N 1 2 330.432 1.777 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnc(C)nc3)[C@@H]2C)c1 ZINC000993772793 696367758 /nfs/dbraw/zinc/36/77/58/696367758.db2.gz NVYOOBYLQJMKMR-AUUYWEPGSA-N 1 2 349.438 1.944 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnc(C)nc3)[C@@H]2C)c1 ZINC000993772793 696367759 /nfs/dbraw/zinc/36/77/59/696367759.db2.gz NVYOOBYLQJMKMR-AUUYWEPGSA-N 1 2 349.438 1.944 20 30 EDEDLO C[C@H](C#N)C(=O)N[C@H](C)c1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001060616516 696393071 /nfs/dbraw/zinc/39/30/71/696393071.db2.gz RFPQRHWWZSCTIW-CHWSQXEVSA-N 1 2 339.399 1.605 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994203278 696578572 /nfs/dbraw/zinc/57/85/72/696578572.db2.gz KVZVVFNEFORYCO-CJNGLKHVSA-N 1 2 338.415 1.388 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCC[N@H+]1Cc1ccccc1C#N ZINC000994203278 696578575 /nfs/dbraw/zinc/57/85/75/696578575.db2.gz KVZVVFNEFORYCO-CJNGLKHVSA-N 1 2 338.415 1.388 20 30 EDEDLO C=C(Br)CN1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994512311 696957194 /nfs/dbraw/zinc/95/71/94/696957194.db2.gz XWGCGDPAHZIISX-QWHCGFSZSA-N 1 2 341.253 1.761 20 30 EDEDLO N#CC1(CS(=O)(=O)NCCn2c[nH+]cc2-c2ccccc2)CC1 ZINC000918846015 697215759 /nfs/dbraw/zinc/21/57/59/697215759.db2.gz OURCIEXWJVACFZ-UHFFFAOYSA-N 1 2 330.413 1.773 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2cn(C)cn2)C1 ZINC001031613514 697324747 /nfs/dbraw/zinc/32/47/47/697324747.db2.gz OVFXUDBLYUPSFU-UHFFFAOYSA-N 1 2 339.399 1.162 20 30 EDEDLO N#Cc1ccc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)[nH]1 ZINC001031621184 697341950 /nfs/dbraw/zinc/34/19/50/697341950.db2.gz UZXMSOCTSACVAE-UHFFFAOYSA-N 1 2 337.358 1.759 20 30 EDEDLO COc1cccc(C[NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001031622438 697342133 /nfs/dbraw/zinc/34/21/33/697342133.db2.gz IAYTVDQAAIJMPR-UHFFFAOYSA-N 1 2 325.372 1.152 20 30 EDEDLO COc1cc(C[NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)sn1 ZINC001031622518 697343379 /nfs/dbraw/zinc/34/33/79/697343379.db2.gz SAUYZZGQMJJYET-UHFFFAOYSA-N 1 2 331.401 1.213 20 30 EDEDLO CCn1ccnc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031636087 697383453 /nfs/dbraw/zinc/38/34/53/697383453.db2.gz NLNFOEJFKZHLQB-UHFFFAOYSA-N 1 2 341.390 1.776 20 30 EDEDLO C[C@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031636888 697384635 /nfs/dbraw/zinc/38/46/35/697384635.db2.gz CXCKDSWDYJSBML-KDOFPFPSSA-N 1 2 327.428 1.921 20 30 EDEDLO CCc1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)n(C)n1 ZINC001032070690 698000477 /nfs/dbraw/zinc/00/04/77/698000477.db2.gz CTGGHLDIWQQEJC-UHFFFAOYSA-N 1 2 337.427 1.716 20 30 EDEDLO C[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001032074401 698118680 /nfs/dbraw/zinc/11/86/80/698118680.db2.gz QMFXRPDDUQIYOU-LRDDRELGSA-N 1 2 331.391 1.670 20 30 EDEDLO C[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032077538 698179754 /nfs/dbraw/zinc/17/97/54/698179754.db2.gz ZVLDGJYEMBGJBH-LRDDRELGSA-N 1 2 331.391 1.670 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000938573360 698299321 /nfs/dbraw/zinc/29/93/21/698299321.db2.gz DSQXZILCDGTJFM-ZDUSSCGKSA-N 1 2 338.839 1.721 20 30 EDEDLO NC(Cc1cccnc1)=[NH+]OCCCS(=O)(=O)c1ccccc1 ZINC000179927252 698468252 /nfs/dbraw/zinc/46/82/52/698468252.db2.gz UKJIGNXISIOROK-UHFFFAOYSA-N 1 2 333.413 1.777 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000943547605 698492041 /nfs/dbraw/zinc/49/20/41/698492041.db2.gz NAQZDHZXSUZISI-KFWWJZLASA-N 1 2 346.431 1.041 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1NC(=O)c1nnc[nH]1 ZINC000943702834 698743345 /nfs/dbraw/zinc/74/33/45/698743345.db2.gz RTLVBRKPBHKBDG-ABAIWWIYSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1NC(=O)c1nnc[nH]1 ZINC000943702834 698743348 /nfs/dbraw/zinc/74/33/48/698743348.db2.gz RTLVBRKPBHKBDG-ABAIWWIYSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943702834 698743350 /nfs/dbraw/zinc/74/33/50/698743350.db2.gz RTLVBRKPBHKBDG-ABAIWWIYSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943702834 698743351 /nfs/dbraw/zinc/74/33/51/698743351.db2.gz RTLVBRKPBHKBDG-ABAIWWIYSA-N 1 2 342.378 1.456 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccnc3C(F)F)CC2)C1 ZINC000941484165 701554577 /nfs/dbraw/zinc/55/45/77/701554577.db2.gz PGDGWBNGQYZPJD-UHFFFAOYSA-N 1 2 348.397 1.485 20 30 EDEDLO NC(=O)c1cccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1 ZINC001031774417 699146169 /nfs/dbraw/zinc/14/61/69/699146169.db2.gz CLKSOUFDWZQBBW-UHFFFAOYSA-N 1 2 347.418 1.499 20 30 EDEDLO CN(C)c1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)cn1 ZINC001031805102 699392990 /nfs/dbraw/zinc/39/29/90/699392990.db2.gz UNOPEOUSNRHEJB-UHFFFAOYSA-N 1 2 348.450 1.861 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ncnc2[nH]ccc21 ZINC001031816924 699518309 /nfs/dbraw/zinc/51/83/09/699518309.db2.gz WDPUZANARWTZHR-UHFFFAOYSA-N 1 2 345.406 1.623 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(C(C)C)c3)CC2)C1 ZINC000941626820 701598982 /nfs/dbraw/zinc/59/89/82/701598982.db2.gz WVTJNSPVTIDZHW-UHFFFAOYSA-N 1 2 325.456 1.885 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCO[C@H](C(C)C)C3)CC2)C1 ZINC000941632638 701600881 /nfs/dbraw/zinc/60/08/81/701600881.db2.gz MKMKLMPQICOAAG-MJGOQNOKSA-N 1 2 347.503 1.289 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C4CC4)s3)CC2)C1 ZINC000941638492 701602758 /nfs/dbraw/zinc/60/27/58/701602758.db2.gz FSBMRPJGIZHXKD-UHFFFAOYSA-N 1 2 329.469 1.701 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccnc3n[nH]nc32)C1 ZINC001031834384 699753931 /nfs/dbraw/zinc/75/39/31/699753931.db2.gz DUHCPDDTVYVYLP-UHFFFAOYSA-N 1 2 347.382 1.086 20 30 EDEDLO CC(C)(C)C(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941649650 701611199 /nfs/dbraw/zinc/61/11/99/701611199.db2.gz ZGXPUISGLKXKEW-UHFFFAOYSA-N 1 2 340.471 1.933 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)[C@@H]3CCCO3)CC2)C1 ZINC000941650917 701611709 /nfs/dbraw/zinc/61/17/09/701611709.db2.gz KBQKRUIGBHOFPG-WMZOPIPTSA-N 1 2 333.476 1.043 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@]3(C)CC=C(C)CC3)CC2)C1 ZINC000941670270 701613049 /nfs/dbraw/zinc/61/30/49/701613049.db2.gz MIESXOJHZNBRGI-HXUWFJFHSA-N 1 2 329.488 1.975 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000945437350 700288320 /nfs/dbraw/zinc/28/83/20/700288320.db2.gz CSKMMKCBWGMYNH-GXTWGEPZSA-N 1 2 332.448 1.826 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000944252557 701630337 /nfs/dbraw/zinc/63/03/37/701630337.db2.gz DTMGMCWRGUNLBY-CHWSQXEVSA-N 1 2 325.372 1.215 20 30 EDEDLO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)nn1 ZINC000940693546 700835872 /nfs/dbraw/zinc/83/58/72/700835872.db2.gz WWXRJBGRLFGDTG-HNNXBMFYSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1cc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)nn1 ZINC000940693546 700835875 /nfs/dbraw/zinc/83/58/75/700835875.db2.gz WWXRJBGRLFGDTG-HNNXBMFYSA-N 1 2 341.419 1.045 20 30 EDEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000940859056 700958142 /nfs/dbraw/zinc/95/81/42/700958142.db2.gz QPWQNNLOBKAHLY-AWEZNQCLSA-N 1 2 344.444 1.768 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000940859056 700958143 /nfs/dbraw/zinc/95/81/43/700958143.db2.gz QPWQNNLOBKAHLY-AWEZNQCLSA-N 1 2 344.444 1.768 20 30 EDEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000940859056 700958144 /nfs/dbraw/zinc/95/81/44/700958144.db2.gz QPWQNNLOBKAHLY-AWEZNQCLSA-N 1 2 344.444 1.768 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000940859056 700958145 /nfs/dbraw/zinc/95/81/45/700958145.db2.gz QPWQNNLOBKAHLY-AWEZNQCLSA-N 1 2 344.444 1.768 20 30 EDEDLO C=CCOc1ccc(C(=O)NC2CN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000995121872 701149990 /nfs/dbraw/zinc/14/99/90/701149990.db2.gz OOMWMUQQVWGACI-UHFFFAOYSA-N 1 2 340.383 1.089 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H]2[C@@H](CCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000945954673 701336181 /nfs/dbraw/zinc/33/61/81/701336181.db2.gz RYBNALYWQCEFNR-JKSUJKDBSA-N 1 2 340.427 1.205 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000941225808 701416046 /nfs/dbraw/zinc/41/60/46/701416046.db2.gz VONHLBWOKDZENT-HUUCEWRRSA-N 1 2 342.443 1.519 20 30 EDEDLO CC(C)CC(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941283580 701443301 /nfs/dbraw/zinc/44/33/01/701443301.db2.gz BQUQMXAWIMRLAM-UHFFFAOYSA-N 1 2 340.471 1.933 20 30 EDEDLO N#Cc1cccc(C[NH+]2CC(N3CCN(C(=O)CC4CC4)CC3)C2)c1 ZINC000941275104 701447575 /nfs/dbraw/zinc/44/75/75/701447575.db2.gz QYHXXJBNYNUGDL-UHFFFAOYSA-N 1 2 338.455 1.687 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCN(C2C[NH+](Cc3ccccc3Cl)C2)CC1 ZINC000941348222 701482738 /nfs/dbraw/zinc/48/27/38/701482738.db2.gz JWZGCYOZDCSIAI-AWEZNQCLSA-N 1 2 346.862 1.828 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)s1 ZINC000941931024 702161584 /nfs/dbraw/zinc/16/15/84/702161584.db2.gz WUABRKLXUMKAPJ-ZWNOBZJWSA-N 1 2 344.444 1.687 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)s1 ZINC000941931024 702161588 /nfs/dbraw/zinc/16/15/88/702161588.db2.gz WUABRKLXUMKAPJ-ZWNOBZJWSA-N 1 2 344.444 1.687 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cnns2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965838 702260401 /nfs/dbraw/zinc/26/04/01/702260401.db2.gz CXGWJUYIOFZTEE-ZWNOBZJWSA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cnns2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965838 702260403 /nfs/dbraw/zinc/26/04/03/702260403.db2.gz CXGWJUYIOFZTEE-ZWNOBZJWSA-N 1 2 330.417 1.378 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccn3C)C[C@H]2C)nc1 ZINC000944192406 702484328 /nfs/dbraw/zinc/48/43/28/702484328.db2.gz LMLCZPUVTNUAHR-GDBMZVCRSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)C[C@H]2C)nc1 ZINC000944192406 702484331 /nfs/dbraw/zinc/48/43/31/702484331.db2.gz LMLCZPUVTNUAHR-GDBMZVCRSA-N 1 2 337.427 1.437 20 30 EDEDLO C=C1CCC(C(=O)N2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000942080775 702541542 /nfs/dbraw/zinc/54/15/42/702541542.db2.gz FLBGSEGDFBTDIV-UHFFFAOYSA-N 1 2 330.432 1.760 20 30 EDEDLO CC1(C)CN(C(=O)Cc2ncn[nH]2)C[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000996506537 702827769 /nfs/dbraw/zinc/82/77/69/702827769.db2.gz MXSFWBSRQIDYJY-HNNXBMFYSA-N 1 2 338.415 1.246 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@@H]2C)CC1 ZINC000942600045 703115253 /nfs/dbraw/zinc/11/52/53/703115253.db2.gz JJDJJWRQMWRCDG-YOEHRIQHSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)C[C@@H]2C)CC1 ZINC000942600045 703115254 /nfs/dbraw/zinc/11/52/54/703115254.db2.gz JJDJJWRQMWRCDG-YOEHRIQHSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC(=O)Nc3ccon3)C[C@H]2C)C1 ZINC000942607382 703123103 /nfs/dbraw/zinc/12/31/03/703123103.db2.gz DOOHHCNWAQPOJV-ZIAGYGMSSA-N 1 2 346.431 1.796 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC(=O)Nc3ccon3)C[C@H]2C)C1 ZINC000942607382 703123104 /nfs/dbraw/zinc/12/31/04/703123104.db2.gz DOOHHCNWAQPOJV-ZIAGYGMSSA-N 1 2 346.431 1.796 20 30 EDEDLO Cc1nc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C#N)[nH]2)cs1 ZINC001032362912 703239962 /nfs/dbraw/zinc/23/99/62/703239962.db2.gz ZWWHAWYKOFJYND-GJZGRUSLSA-N 1 2 341.440 1.793 20 30 EDEDLO Cc1nc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C#N)[nH]2)cs1 ZINC001032362912 703239965 /nfs/dbraw/zinc/23/99/65/703239965.db2.gz ZWWHAWYKOFJYND-GJZGRUSLSA-N 1 2 341.440 1.793 20 30 EDEDLO CCn1ccnc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032378404 703345111 /nfs/dbraw/zinc/34/51/11/703345111.db2.gz CMDPWYZGFRYYKN-IRXDYDNUSA-N 1 2 335.411 1.874 20 30 EDEDLO CCn1ccnc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032378404 703345112 /nfs/dbraw/zinc/34/51/12/703345112.db2.gz CMDPWYZGFRYYKN-IRXDYDNUSA-N 1 2 335.411 1.874 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@@H]2CCOC2)nc1C ZINC001032403193 703421746 /nfs/dbraw/zinc/42/17/46/703421746.db2.gz WABSNUHTIMFTEK-PMPSAXMXSA-N 1 2 328.416 1.075 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@@H]2CCOC2)nc1C ZINC001032403193 703421748 /nfs/dbraw/zinc/42/17/48/703421748.db2.gz WABSNUHTIMFTEK-PMPSAXMXSA-N 1 2 328.416 1.075 20 30 EDEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001060811647 703458045 /nfs/dbraw/zinc/45/80/45/703458045.db2.gz CCHBCAGGLXUNNU-QKPAOTATSA-N 1 2 345.447 1.785 20 30 EDEDLO C=C(Br)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]cc[nH+]1 ZINC001032701488 706749477 /nfs/dbraw/zinc/74/94/77/706749477.db2.gz BFVZIAZOZYPIIE-QWRGUYRKSA-N 1 2 325.210 1.146 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc3n(n2)CCO3)c1 ZINC001032449083 703624973 /nfs/dbraw/zinc/62/49/73/703624973.db2.gz IBFAXAIIUJOXSX-HOTGVXAUSA-N 1 2 349.394 1.246 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc3n(n2)CCO3)c1 ZINC001032449083 703624975 /nfs/dbraw/zinc/62/49/75/703624975.db2.gz IBFAXAIIUJOXSX-HOTGVXAUSA-N 1 2 349.394 1.246 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997589392 703879471 /nfs/dbraw/zinc/87/94/71/703879471.db2.gz OPQGADDCHOKIFV-XKQJLSEDSA-N 1 2 348.447 1.768 20 30 EDEDLO CN(C(=O)c1ncc[nH]1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033066657 704082657 /nfs/dbraw/zinc/08/26/57/704082657.db2.gz YPGVZATYDSYUIZ-CQSZACIVSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1ncc[nH]1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033066657 704082658 /nfs/dbraw/zinc/08/26/58/704082658.db2.gz YPGVZATYDSYUIZ-CQSZACIVSA-N 1 2 327.363 1.767 20 30 EDEDLO CC(C)(C)n1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)nn1 ZINC001004461232 704455013 /nfs/dbraw/zinc/45/50/13/704455013.db2.gz ZGAOTRNQBAHFAN-INIZCTEOSA-N 1 2 344.463 1.873 20 30 EDEDLO CC(C)(C)n1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)nn1 ZINC001004461232 704455014 /nfs/dbraw/zinc/45/50/14/704455014.db2.gz ZGAOTRNQBAHFAN-INIZCTEOSA-N 1 2 344.463 1.873 20 30 EDEDLO CCc1noc(C[NH2+][C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)n1 ZINC000995663053 704908824 /nfs/dbraw/zinc/90/88/24/704908824.db2.gz DGWZXVNNIPKNBH-ZDUSSCGKSA-N 1 2 342.403 1.472 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnns3)[C@@H](C)C2)nc1 ZINC000947947874 706103084 /nfs/dbraw/zinc/10/30/84/706103084.db2.gz JWMYCJVFUCEKGB-JSGCOSHPSA-N 1 2 341.440 1.697 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnns3)[C@@H](C)C2)nc1 ZINC000947947874 706103086 /nfs/dbraw/zinc/10/30/86/706103086.db2.gz JWMYCJVFUCEKGB-JSGCOSHPSA-N 1 2 341.440 1.697 20 30 EDEDLO CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC000998970082 706390829 /nfs/dbraw/zinc/39/08/29/706390829.db2.gz PQDCCHGLXDJHND-GFCCVEGCSA-N 1 2 328.376 1.226 20 30 EDEDLO O=C(C#CC1CC1)N1CCC[C@H]([NH2+]Cc2nnc(C(F)F)s2)C1 ZINC000999129829 706533906 /nfs/dbraw/zinc/53/39/06/706533906.db2.gz SFJIAWNIWDZCBV-NSHDSACASA-N 1 2 340.399 1.970 20 30 EDEDLO CC(C)(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999125855 706550299 /nfs/dbraw/zinc/55/02/99/706550299.db2.gz CONHBCFEWPRGJR-AWEZNQCLSA-N 1 2 330.432 1.861 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)C2CC([NH2+][C@H](C)c3noc(C)n3)C2)c1 ZINC000999377114 706871190 /nfs/dbraw/zinc/87/11/90/706871190.db2.gz SORGRHXXORZVTN-VHWKEVPUSA-N 1 2 339.399 1.708 20 30 EDEDLO N#Cc1cnc(NC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c(Cl)c1 ZINC001060887343 707361574 /nfs/dbraw/zinc/36/15/74/707361574.db2.gz FFQGANMDDUJZBN-GFCCVEGCSA-N 1 2 344.806 1.764 20 30 EDEDLO N#Cc1cnc(NC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c(F)c1 ZINC001060887650 707369872 /nfs/dbraw/zinc/36/98/72/707369872.db2.gz NWLUVZXZXMJQKH-LBPRGKRZSA-N 1 2 328.351 1.249 20 30 EDEDLO Cc1n[nH]nc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033317976 707507002 /nfs/dbraw/zinc/50/70/02/707507002.db2.gz IOMKECWHJBGILY-CQSZACIVSA-N 1 2 342.378 1.470 20 30 EDEDLO Cc1n[nH]nc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033317976 707507005 /nfs/dbraw/zinc/50/70/05/707507005.db2.gz IOMKECWHJBGILY-CQSZACIVSA-N 1 2 342.378 1.470 20 30 EDEDLO CN(C(=O)c1ccnnc1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033452491 707895503 /nfs/dbraw/zinc/89/55/03/707895503.db2.gz IHJAUTVYBUZCRE-SFHVURJKSA-N 1 2 338.386 1.814 20 30 EDEDLO CN(C(=O)c1ccnnc1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033452491 707895508 /nfs/dbraw/zinc/89/55/08/707895508.db2.gz IHJAUTVYBUZCRE-SFHVURJKSA-N 1 2 338.386 1.814 20 30 EDEDLO Cc1nsc(NC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c1C#N ZINC001060954959 708045432 /nfs/dbraw/zinc/04/54/32/708045432.db2.gz LDWYHKNDGXTEBL-ZDUSSCGKSA-N 1 2 344.444 1.870 20 30 EDEDLO CN(C(=O)c1cccnn1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033525934 708141472 /nfs/dbraw/zinc/14/14/72/708141472.db2.gz JLHIWBMESAYGBL-QGZVFWFLSA-N 1 2 338.386 1.814 20 30 EDEDLO CN(C(=O)c1cccnn1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033525934 708141475 /nfs/dbraw/zinc/14/14/75/708141475.db2.gz JLHIWBMESAYGBL-QGZVFWFLSA-N 1 2 338.386 1.814 20 30 EDEDLO CN(C(=O)c1cnon1)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001033526945 708144363 /nfs/dbraw/zinc/14/43/63/708144363.db2.gz MVTWCJGQIKKYOU-OAHLLOKOSA-N 1 2 344.802 1.921 20 30 EDEDLO CN(C(=O)c1cnon1)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001033526945 708144366 /nfs/dbraw/zinc/14/43/66/708144366.db2.gz MVTWCJGQIKKYOU-OAHLLOKOSA-N 1 2 344.802 1.921 20 30 EDEDLO CC(C)C#CC(=O)N1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001061003829 708146412 /nfs/dbraw/zinc/14/64/12/708146412.db2.gz VUPSGEULBUFERW-UHFFFAOYSA-N 1 2 342.443 1.384 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033801761 708794963 /nfs/dbraw/zinc/79/49/63/708794963.db2.gz ZAAAEGZAMVAMSE-OAHLLOKOSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033801761 708794965 /nfs/dbraw/zinc/79/49/65/708794965.db2.gz ZAAAEGZAMVAMSE-OAHLLOKOSA-N 1 2 327.388 1.919 20 30 EDEDLO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001005374585 708808696 /nfs/dbraw/zinc/80/86/96/708808696.db2.gz FJCDTCPPRVRPTE-HUUCEWRRSA-N 1 2 348.428 1.708 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001033880286 708976690 /nfs/dbraw/zinc/97/66/90/708976690.db2.gz KTQNREYIMSZGJP-KBPBESRZSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001033880286 708976692 /nfs/dbraw/zinc/97/66/92/708976692.db2.gz KTQNREYIMSZGJP-KBPBESRZSA-N 1 2 327.856 1.530 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001061094587 709029738 /nfs/dbraw/zinc/02/97/38/709029738.db2.gz GHMUIOIVOUVXSP-CHWSQXEVSA-N 1 2 339.403 1.164 20 30 EDEDLO CC#CC[NH+]1CCC(N(C)C(=O)c2n[nH]cc2C(F)(F)F)CC1 ZINC001005490437 709160890 /nfs/dbraw/zinc/16/08/90/709160890.db2.gz BHOBWCAKMUYNBW-UHFFFAOYSA-N 1 2 328.338 1.988 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001002795311 709403361 /nfs/dbraw/zinc/40/33/61/709403361.db2.gz XHUCFYMOMYGQBG-AWEZNQCLSA-N 1 2 330.432 1.232 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCCC[N@H+](Cc3cnns3)C2)c1 ZINC001034164709 709437960 /nfs/dbraw/zinc/43/79/60/709437960.db2.gz RNEUOPLGNLMQHG-LBPRGKRZSA-N 1 2 330.417 1.522 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CCCC[N@@H+](Cc3cnns3)C2)c1 ZINC001034164709 709437962 /nfs/dbraw/zinc/43/79/62/709437962.db2.gz RNEUOPLGNLMQHG-LBPRGKRZSA-N 1 2 330.417 1.522 20 30 EDEDLO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccsc1C#N ZINC000922027373 709453315 /nfs/dbraw/zinc/45/33/15/709453315.db2.gz XBAWWBPJODIKKC-LBPRGKRZSA-N 1 2 327.475 1.971 20 30 EDEDLO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccsc1C#N ZINC000922027373 709453317 /nfs/dbraw/zinc/45/33/17/709453317.db2.gz XBAWWBPJODIKKC-LBPRGKRZSA-N 1 2 327.475 1.971 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001002865624 709474204 /nfs/dbraw/zinc/47/42/04/709474204.db2.gz UYQQECMFCZRQTD-HBUWYVDXSA-N 1 2 330.432 1.690 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001002865624 709474205 /nfs/dbraw/zinc/47/42/05/709474205.db2.gz UYQQECMFCZRQTD-HBUWYVDXSA-N 1 2 330.432 1.690 20 30 EDEDLO Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001034171356 709485364 /nfs/dbraw/zinc/48/53/64/709485364.db2.gz NYWNEAMBINIPRJ-CQSZACIVSA-N 1 2 327.388 1.967 20 30 EDEDLO Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001034171356 709485365 /nfs/dbraw/zinc/48/53/65/709485365.db2.gz NYWNEAMBINIPRJ-CQSZACIVSA-N 1 2 327.388 1.967 20 30 EDEDLO C=C[C@@H](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001061744859 709879574 /nfs/dbraw/zinc/87/95/74/709879574.db2.gz PLSAXSFBEMHJLL-GJZGRUSLSA-N 1 2 348.447 1.207 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCC(=O)NC2)CC1 ZINC001003225084 710145230 /nfs/dbraw/zinc/14/52/30/710145230.db2.gz GSASRCNDBBNJMZ-NSHDSACASA-N 1 2 344.253 1.002 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2nnc3ccccc3n2)CC1 ZINC001003309565 710238627 /nfs/dbraw/zinc/23/86/27/710238627.db2.gz CVRQAUVJDLHLFN-UHFFFAOYSA-N 1 2 331.807 1.972 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)CCn3cc[nH+]c3)C2)cc1 ZINC001003535963 710405955 /nfs/dbraw/zinc/40/59/55/710405955.db2.gz JIBNTDMDQXAEHD-UHFFFAOYSA-N 1 2 336.395 1.143 20 30 EDEDLO C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001003850028 710672120 /nfs/dbraw/zinc/67/21/20/710672120.db2.gz WJRZXAMISWWPHP-SFXCNKRSSA-N 1 2 337.383 1.584 20 30 EDEDLO C[C@@H](CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)N1CCCC1=O ZINC001004596731 712037859 /nfs/dbraw/zinc/03/78/59/712037859.db2.gz OIUINTQPTWZIQP-RDJZCZTQSA-N 1 2 346.475 1.614 20 30 EDEDLO C[C@@H](CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)N1CCCC1=O ZINC001004596731 712037860 /nfs/dbraw/zinc/03/78/60/712037860.db2.gz OIUINTQPTWZIQP-RDJZCZTQSA-N 1 2 346.475 1.614 20 30 EDEDLO CC(=O)N1CCc2cc(NC(=O)NCC[NH+]3CCOCC3)ccc21 ZINC000328767300 539364024 /nfs/dbraw/zinc/36/40/24/539364024.db2.gz HPLMNTAPIIFXBF-UHFFFAOYSA-N 1 2 332.404 1.254 20 30 EDEDLO CN1C(=O)CC[C@@H]1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329241220 539421824 /nfs/dbraw/zinc/42/18/24/539421824.db2.gz NKDUJTNEUYSKPU-CQSZACIVSA-N 1 2 343.387 1.608 20 30 EDEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CCC(=O)N2C)cc1 ZINC000329486724 539438993 /nfs/dbraw/zinc/43/89/93/539438993.db2.gz TVFQGICHJBPCGM-DLBZAZTESA-N 1 2 345.443 1.946 20 30 EDEDLO C[C@@H](CNC(=O)N=c1nc(C(C)(C)C)[nH]s1)C[NH+]1CCOCC1 ZINC000329858068 539470497 /nfs/dbraw/zinc/47/04/97/539470497.db2.gz VUVLHXVJTACMPX-NSHDSACASA-N 1 2 341.481 1.552 20 30 EDEDLO CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCCN2c2ccccc2)CC1 ZINC000330273746 539543751 /nfs/dbraw/zinc/54/37/51/539543751.db2.gz ZQSYPTHZCVHYJA-SFHVURJKSA-N 1 2 344.459 1.776 20 30 EDEDLO O=C(NCc1cn2ccccc2n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329325014 539636776 /nfs/dbraw/zinc/63/67/76/539636776.db2.gz VWBGGLTWPIQZIB-HNNXBMFYSA-N 1 2 329.404 1.155 20 30 EDEDLO CNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000078655654 138258467 /nfs/dbraw/zinc/25/84/67/138258467.db2.gz AFVSZJOXMVZZPF-LLVKDONJSA-N 1 2 332.404 1.553 20 30 EDEDLO N#C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000106047733 237073780 /nfs/dbraw/zinc/07/37/80/237073780.db2.gz LWYHPFMYWMPNCI-LBPRGKRZSA-N 1 2 327.300 1.145 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1cncc(F)c1 ZINC000104348407 237060036 /nfs/dbraw/zinc/06/00/36/237060036.db2.gz OIZRGSZRHFLDQJ-NSCUHMNNSA-N 1 2 332.379 1.308 20 30 EDEDLO N#C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000106335404 237085733 /nfs/dbraw/zinc/08/57/33/237085733.db2.gz WVSARMWGCKXHAC-CYBMUJFWSA-N 1 2 329.335 1.445 20 30 EDEDLO N#CC1(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000133716787 237241215 /nfs/dbraw/zinc/24/12/15/237241215.db2.gz GAJXCHBMPWORGX-INIZCTEOSA-N 1 2 329.400 1.076 20 30 EDEDLO N#CC1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000133716787 237241223 /nfs/dbraw/zinc/24/12/23/237241223.db2.gz GAJXCHBMPWORGX-INIZCTEOSA-N 1 2 329.400 1.076 20 30 EDEDLO N#Cc1ccsc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000052050293 201127115 /nfs/dbraw/zinc/12/71/15/201127115.db2.gz SYQNSIXAXIQANN-OAHLLOKOSA-N 1 2 337.470 1.557 20 30 EDEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000274813362 201272677 /nfs/dbraw/zinc/27/26/77/201272677.db2.gz YLGUAEMQOCOXFU-UHFFFAOYSA-N 1 2 339.417 1.867 20 30 EDEDLO C#CC[C@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000277443998 201302140 /nfs/dbraw/zinc/30/21/40/201302140.db2.gz MWHJJMQMFPAIRI-KRWDZBQOSA-N 1 2 327.428 1.915 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000158396850 206189445 /nfs/dbraw/zinc/18/94/45/206189445.db2.gz IRIULMINIAFYLH-AWEZNQCLSA-N 1 2 332.423 1.730 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)[C@H]2C1 ZINC000246467825 139109570 /nfs/dbraw/zinc/10/95/70/139109570.db2.gz JJMQSQKBGIEJII-IXDOHACOSA-N 1 2 329.400 1.765 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)[C@H]2C1 ZINC000246467825 139109571 /nfs/dbraw/zinc/10/95/71/139109571.db2.gz JJMQSQKBGIEJII-IXDOHACOSA-N 1 2 329.400 1.765 20 30 EDEDLO C=CC[N@@H+](C[C@H](O)COc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000246949193 249313157 /nfs/dbraw/zinc/31/31/57/249313157.db2.gz UNOBHJNRVQPCRE-HOTGVXAUSA-N 1 2 339.457 1.410 20 30 EDEDLO C=CC[N@H+](C[C@H](O)COc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000246949193 249313161 /nfs/dbraw/zinc/31/31/61/249313161.db2.gz UNOBHJNRVQPCRE-HOTGVXAUSA-N 1 2 339.457 1.410 20 30 EDEDLO C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)Cn3cc[nH+]c3)cc2C1=O ZINC000343144861 250010806 /nfs/dbraw/zinc/01/08/06/250010806.db2.gz WYTJGOWKNOFDOR-LBPRGKRZSA-N 1 2 338.367 1.484 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN1CC#CC[N@@H+]1CCC[C@H]1C(=O)OCC ZINC000341908186 250003282 /nfs/dbraw/zinc/00/32/82/250003282.db2.gz JNFPHOXAYQRBAA-HOTGVXAUSA-N 1 2 336.432 1.045 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN1CC#CC[N@H+]1CCC[C@H]1C(=O)OCC ZINC000341908186 250003286 /nfs/dbraw/zinc/00/32/86/250003286.db2.gz JNFPHOXAYQRBAA-HOTGVXAUSA-N 1 2 336.432 1.045 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N(Cc2ccccc2-n2cc[nH+]c2)C1=O ZINC000348499448 250056060 /nfs/dbraw/zinc/05/60/60/250056060.db2.gz MLZWQZCNDNVUCW-AWEZNQCLSA-N 1 2 326.356 1.495 20 30 EDEDLO C=CCN(CCC#N)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000359382353 250153444 /nfs/dbraw/zinc/15/34/44/250153444.db2.gz GXCQVELWZBHRGW-HNNXBMFYSA-N 1 2 331.420 1.411 20 30 EDEDLO C=CCN(CCC#N)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000359382353 250153449 /nfs/dbraw/zinc/15/34/49/250153449.db2.gz GXCQVELWZBHRGW-HNNXBMFYSA-N 1 2 331.420 1.411 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H](O)Cc1ccccc1 ZINC000362700456 250183400 /nfs/dbraw/zinc/18/34/00/250183400.db2.gz ZQNNIGFUYUNCCM-SFHVURJKSA-N 1 2 345.443 1.055 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000374874441 250273834 /nfs/dbraw/zinc/27/38/34/250273834.db2.gz JMOPNSXYFZMYEU-CQSZACIVSA-N 1 2 349.456 1.094 20 30 EDEDLO CCCCCCCS(=O)(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000374233016 250256403 /nfs/dbraw/zinc/25/64/03/250256403.db2.gz YMROQIFSACWDHC-UHFFFAOYSA-N 1 2 347.525 1.383 20 30 EDEDLO CCCCCCCS(=O)(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000374233016 250256407 /nfs/dbraw/zinc/25/64/07/250256407.db2.gz YMROQIFSACWDHC-UHFFFAOYSA-N 1 2 347.525 1.383 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000410814832 250379928 /nfs/dbraw/zinc/37/99/28/250379928.db2.gz SBZRFYLXWRDSKX-UHFFFAOYSA-N 1 2 344.459 1.960 20 30 EDEDLO Cn1cc(N2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cn1 ZINC000174938960 207074475 /nfs/dbraw/zinc/07/44/75/207074475.db2.gz SBQWAYPKKXVRBU-UHFFFAOYSA-N 1 2 349.398 1.664 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([NH2+]Cc2nnc3n2CCCC3)C1=O ZINC000176800521 207262201 /nfs/dbraw/zinc/26/22/01/207262201.db2.gz ZWXVHRUYRWNVAL-GFCCVEGCSA-N 1 2 342.428 1.443 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC ZINC000345856167 285038696 /nfs/dbraw/zinc/03/86/96/285038696.db2.gz YPQDCAXGJMVXSQ-TWMKSMIVSA-N 1 2 337.464 1.510 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC ZINC000345856167 285038700 /nfs/dbraw/zinc/03/87/00/285038700.db2.gz YPQDCAXGJMVXSQ-TWMKSMIVSA-N 1 2 337.464 1.510 20 30 EDEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271062462 533036818 /nfs/dbraw/zinc/03/68/18/533036818.db2.gz SWQFVEDIPHMPRY-UHFFFAOYSA-N 1 2 337.401 1.315 20 30 EDEDLO COC(=O)c1coc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000263832343 139363483 /nfs/dbraw/zinc/36/34/83/139363483.db2.gz VOVHZWHDNQXJDD-UHFFFAOYSA-N 1 2 326.356 1.655 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC(F)(F)F)n2CC(=C)C)CC1 ZINC000491386292 255124916 /nfs/dbraw/zinc/12/49/16/255124916.db2.gz URRXBZGLRDPMMQ-UHFFFAOYSA-N 1 2 327.354 1.714 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000491406100 255125340 /nfs/dbraw/zinc/12/53/40/255125340.db2.gz LXUKRUQDRSAUHN-KRWDZBQOSA-N 1 2 338.411 1.518 20 30 EDEDLO C#CC[N@H+](CC#CC)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC ZINC000490712585 255101853 /nfs/dbraw/zinc/10/18/53/255101853.db2.gz FSOUQMOXIIDCAB-SFHVURJKSA-N 1 2 338.407 1.071 20 30 EDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC ZINC000490712585 255101855 /nfs/dbraw/zinc/10/18/55/255101855.db2.gz FSOUQMOXIIDCAB-SFHVURJKSA-N 1 2 338.407 1.071 20 30 EDEDLO C#CCN(CC#CC)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000490721802 255102924 /nfs/dbraw/zinc/10/29/24/255102924.db2.gz YPESOWCGVRSEIJ-UHFFFAOYSA-N 1 2 348.406 1.874 20 30 EDEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000490781141 255107127 /nfs/dbraw/zinc/10/71/27/255107127.db2.gz XCAVYJGEDVSWKW-HNNXBMFYSA-N 1 2 333.407 1.691 20 30 EDEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000490781141 255107129 /nfs/dbraw/zinc/10/71/29/255107129.db2.gz XCAVYJGEDVSWKW-HNNXBMFYSA-N 1 2 333.407 1.691 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000490938606 255110486 /nfs/dbraw/zinc/11/04/86/255110486.db2.gz YDOKNBMOWYOWBO-NWDGAFQWSA-N 1 2 330.363 1.973 20 30 EDEDLO C=CC[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000492256482 255165694 /nfs/dbraw/zinc/16/56/94/255165694.db2.gz GAJPNBAIBFPKIO-CHWSQXEVSA-N 1 2 332.466 1.575 20 30 EDEDLO C=CC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000492256482 255165695 /nfs/dbraw/zinc/16/56/95/255165695.db2.gz GAJPNBAIBFPKIO-CHWSQXEVSA-N 1 2 332.466 1.575 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2ccccc2F)n1 ZINC000491626542 255133712 /nfs/dbraw/zinc/13/37/12/255133712.db2.gz KCDMWROGNVRPCU-GOSISDBHSA-N 1 2 331.391 1.837 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2ccccc2F)n1 ZINC000491626542 255133714 /nfs/dbraw/zinc/13/37/14/255133714.db2.gz KCDMWROGNVRPCU-GOSISDBHSA-N 1 2 331.391 1.837 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C/c1c(Cl)nc2ccccn21 ZINC000493438936 255208392 /nfs/dbraw/zinc/20/83/92/255208392.db2.gz ZOMFEKWSNIVDBD-KXPUMZMLSA-N 1 2 331.807 1.961 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000496471386 255395695 /nfs/dbraw/zinc/39/56/95/255395695.db2.gz QKPQUTMAUVNOCZ-CYBMUJFWSA-N 1 2 347.419 1.167 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000496471386 255395696 /nfs/dbraw/zinc/39/56/96/255395696.db2.gz QKPQUTMAUVNOCZ-CYBMUJFWSA-N 1 2 347.419 1.167 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N1CCCC[C@@H]1c1ccnn1C)[NH+]1CCOCC1 ZINC000329286184 299596613 /nfs/dbraw/zinc/59/66/13/299596613.db2.gz GUFNWXNBFDAGEL-ZMSDIMECSA-N 1 2 349.479 1.970 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(C(=O)NCC(N)=O)c3)n2c1 ZINC000119021733 221224883 /nfs/dbraw/zinc/22/48/83/221224883.db2.gz RHQCEQITHKTMDY-UHFFFAOYSA-N 1 2 348.366 1.033 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000270720852 140155400 /nfs/dbraw/zinc/15/54/00/140155400.db2.gz ZNHLOZNVKUHUQO-OAHLLOKOSA-N 1 2 344.415 1.895 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270990779 140215234 /nfs/dbraw/zinc/21/52/34/140215234.db2.gz YAWVHJXHUQBWCB-BBRMVZONSA-N 1 2 326.400 1.582 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270990779 140215236 /nfs/dbraw/zinc/21/52/36/140215236.db2.gz YAWVHJXHUQBWCB-BBRMVZONSA-N 1 2 326.400 1.582 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000332246989 141146436 /nfs/dbraw/zinc/14/64/36/141146436.db2.gz BHFKUFAYFASZII-ZBFHGGJFSA-N 1 2 329.400 1.259 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCNC(=O)N(C)C)c(C#N)c1C ZINC000355026484 150081496 /nfs/dbraw/zinc/08/14/96/150081496.db2.gz AGBWGRAERNDZEW-NSHDSACASA-N 1 2 335.408 1.298 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)N(C)C)c(C#N)c1C ZINC000355026484 150081498 /nfs/dbraw/zinc/08/14/98/150081498.db2.gz AGBWGRAERNDZEW-NSHDSACASA-N 1 2 335.408 1.298 20 30 EDEDLO CC1CCN(C(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000355125570 150127101 /nfs/dbraw/zinc/12/71/01/150127101.db2.gz MCHUEQBEMNQEED-UHFFFAOYSA-N 1 2 327.432 1.334 20 30 EDEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cnn(C)c2C#N)CC1 ZINC000355599657 150331501 /nfs/dbraw/zinc/33/15/01/150331501.db2.gz CRMCNMZXPMMCRO-ZDUSSCGKSA-N 1 2 341.390 1.950 20 30 EDEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000357866960 151177251 /nfs/dbraw/zinc/17/72/51/151177251.db2.gz HGIAIBOEPFGHLP-DNVCBOLYSA-N 1 2 349.438 1.858 20 30 EDEDLO CC[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@@]2(CCOC2)O1 ZINC000370200993 155374800 /nfs/dbraw/zinc/37/48/00/155374800.db2.gz FYXFWFBQJQPSAB-SJLPKXTDSA-N 1 2 326.400 1.976 20 30 EDEDLO CC[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@@]2(CCOC2)O1 ZINC000370200993 155374803 /nfs/dbraw/zinc/37/48/03/155374803.db2.gz FYXFWFBQJQPSAB-SJLPKXTDSA-N 1 2 326.400 1.976 20 30 EDEDLO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1Cl ZINC000363676444 153026640 /nfs/dbraw/zinc/02/66/40/153026640.db2.gz POZFRASAHIQQOE-HNNXBMFYSA-N 1 2 336.754 1.525 20 30 EDEDLO N#Cc1c(F)ccc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1Cl ZINC000363676444 153026642 /nfs/dbraw/zinc/02/66/42/153026642.db2.gz POZFRASAHIQQOE-HNNXBMFYSA-N 1 2 336.754 1.525 20 30 EDEDLO Cn1cc(C[N@@H+]2CCO[C@H]3CCOC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000367826295 154286113 /nfs/dbraw/zinc/28/61/13/154286113.db2.gz YJLHBURPTNKWLL-MSOLQXFVSA-N 1 2 338.411 1.948 20 30 EDEDLO Cn1cc(C[N@H+]2CCO[C@H]3CCOC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000367826295 154286118 /nfs/dbraw/zinc/28/61/18/154286118.db2.gz YJLHBURPTNKWLL-MSOLQXFVSA-N 1 2 338.411 1.948 20 30 EDEDLO N#Cc1ccc(NC[C@]2([NH+]3CCOCC3)CCCOC2)c([N+](=O)[O-])c1 ZINC000372008554 156206880 /nfs/dbraw/zinc/20/68/80/156206880.db2.gz CQANFKNYWAGORC-QGZVFWFLSA-N 1 2 346.387 1.760 20 30 EDEDLO N#Cc1ccc(Br)cc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000308000664 270011413 /nfs/dbraw/zinc/01/14/13/270011413.db2.gz HAEXNIAWQCYQNG-ZDUSSCGKSA-N 1 2 341.205 1.393 20 30 EDEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000286840144 266572729 /nfs/dbraw/zinc/57/27/29/266572729.db2.gz WPMZEQRLUJUQDL-UHFFFAOYSA-N 1 2 331.397 1.656 20 30 EDEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000286840144 266572731 /nfs/dbraw/zinc/57/27/31/266572731.db2.gz WPMZEQRLUJUQDL-UHFFFAOYSA-N 1 2 331.397 1.656 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H](C2CC2)O1 ZINC000280918882 267060019 /nfs/dbraw/zinc/06/00/19/267060019.db2.gz HCEREWMTZYLNOW-OAUYIBNBSA-N 1 2 339.395 1.689 20 30 EDEDLO C[C@@H]1C[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H](C2CC2)O1 ZINC000280918882 267060020 /nfs/dbraw/zinc/06/00/20/267060020.db2.gz HCEREWMTZYLNOW-OAUYIBNBSA-N 1 2 339.395 1.689 20 30 EDEDLO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC12COC2 ZINC000451132582 267134612 /nfs/dbraw/zinc/13/46/12/267134612.db2.gz JAJCFWKJVIRAGX-OAHLLOKOSA-N 1 2 343.383 1.008 20 30 EDEDLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC12COC2 ZINC000451132582 267134615 /nfs/dbraw/zinc/13/46/15/267134615.db2.gz JAJCFWKJVIRAGX-OAHLLOKOSA-N 1 2 343.383 1.008 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000283873207 267198796 /nfs/dbraw/zinc/19/87/96/267198796.db2.gz CCBUQOKUOQOWFQ-IAOVAPTHSA-N 1 2 329.400 1.257 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000283873207 267198797 /nfs/dbraw/zinc/19/87/97/267198797.db2.gz CCBUQOKUOQOWFQ-IAOVAPTHSA-N 1 2 329.400 1.257 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H](C)[NH+]1C ZINC000339065513 267237411 /nfs/dbraw/zinc/23/74/11/267237411.db2.gz GDONUZKRDNCHOH-QWRGUYRKSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@H](C)[NH+]1C ZINC000339066193 267238036 /nfs/dbraw/zinc/23/80/36/267238036.db2.gz IPUXYIDRWLNVTE-QWRGUYRKSA-N 1 2 338.389 1.180 20 30 EDEDLO Cc1cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc[nH+]1 ZINC000301225533 267339830 /nfs/dbraw/zinc/33/98/30/267339830.db2.gz DENVHUFVGCYPFE-UHFFFAOYSA-N 1 2 343.412 1.168 20 30 EDEDLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292204767 267344129 /nfs/dbraw/zinc/34/41/29/267344129.db2.gz NYYVUQMZUOPHPI-CYBMUJFWSA-N 1 2 327.344 1.342 20 30 EDEDLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292204767 267344130 /nfs/dbraw/zinc/34/41/30/267344130.db2.gz NYYVUQMZUOPHPI-CYBMUJFWSA-N 1 2 327.344 1.342 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C#N)c2C)C1 ZINC000412376722 267363421 /nfs/dbraw/zinc/36/34/21/267363421.db2.gz XQDOKBLWLRYXLR-AWEZNQCLSA-N 1 2 329.400 1.482 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C#N)c2C)C1 ZINC000412376722 267363426 /nfs/dbraw/zinc/36/34/26/267363426.db2.gz XQDOKBLWLRYXLR-AWEZNQCLSA-N 1 2 329.400 1.482 20 30 EDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000332266146 268090220 /nfs/dbraw/zinc/09/02/20/268090220.db2.gz GUADKNHZHFSBKT-MSOLQXFVSA-N 1 2 338.411 1.174 20 30 EDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000343346568 268090633 /nfs/dbraw/zinc/09/06/33/268090633.db2.gz UAYLWNPNKCUHNX-SJLPKXTDSA-N 1 2 338.411 1.220 20 30 EDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000343346568 268090634 /nfs/dbraw/zinc/09/06/34/268090634.db2.gz UAYLWNPNKCUHNX-SJLPKXTDSA-N 1 2 338.411 1.220 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000448671059 268113976 /nfs/dbraw/zinc/11/39/76/268113976.db2.gz MZIZZWMKZCMOQU-UHFFFAOYSA-N 1 2 325.372 1.058 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000407992986 268285139 /nfs/dbraw/zinc/28/51/39/268285139.db2.gz VQIOKSCCWZYNLN-GDBMZVCRSA-N 1 2 344.440 1.557 20 30 EDEDLO N#Cc1ccnc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000282874776 268289616 /nfs/dbraw/zinc/28/96/16/268289616.db2.gz DVKUUBUZWAFUQI-SFHVURJKSA-N 1 2 336.395 1.757 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000459368234 268290040 /nfs/dbraw/zinc/29/00/40/268290040.db2.gz ZLBKLAVTWZKMAL-OAHLLOKOSA-N 1 2 330.388 1.763 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000459368234 268290044 /nfs/dbraw/zinc/29/00/44/268290044.db2.gz ZLBKLAVTWZKMAL-OAHLLOKOSA-N 1 2 330.388 1.763 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000459368234 268290046 /nfs/dbraw/zinc/29/00/46/268290046.db2.gz ZLBKLAVTWZKMAL-OAHLLOKOSA-N 1 2 330.388 1.763 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279048491 268776772 /nfs/dbraw/zinc/77/67/72/268776772.db2.gz RBVREUSZZFYPRZ-CYBMUJFWSA-N 1 2 340.383 1.664 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H](C)[NH+]1C ZINC000339064931 288230313 /nfs/dbraw/zinc/23/03/13/288230313.db2.gz AGZYYRCIQXNXCX-VXGBXAGGSA-N 1 2 325.409 1.552 20 30 EDEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000331336494 290146327 /nfs/dbraw/zinc/14/63/27/290146327.db2.gz QMMNKFCZBDXSAR-ZIAGYGMSSA-N 1 2 327.837 1.918 20 30 EDEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000331336494 290146329 /nfs/dbraw/zinc/14/63/29/290146329.db2.gz QMMNKFCZBDXSAR-ZIAGYGMSSA-N 1 2 327.837 1.918 20 30 EDEDLO Cc1nnc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000353665744 293873890 /nfs/dbraw/zinc/87/38/90/293873890.db2.gz PUUISXTWPAPBPJ-JTQLQIEISA-N 1 2 336.442 1.843 20 30 EDEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000422085616 447338888 /nfs/dbraw/zinc/33/88/88/447338888.db2.gz DCWXINFRIGKSQV-DOTOQJQBSA-N 1 2 340.427 1.691 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000425908729 447357441 /nfs/dbraw/zinc/35/74/41/447357441.db2.gz JSJPQMJEMGEEEE-CYBMUJFWSA-N 1 2 339.399 1.170 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@@H]3CCOC3)CC2)cc1 ZINC000543233925 306061671 /nfs/dbraw/zinc/06/16/71/306061671.db2.gz XYLMVRLRHXBYNY-GOSISDBHSA-N 1 2 342.443 1.812 20 30 EDEDLO N#CCc1ccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000007911600 441074877 /nfs/dbraw/zinc/07/48/77/441074877.db2.gz ZUWZYBHEAXQJRM-UHFFFAOYSA-N 1 2 335.411 1.908 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cc(Cl)ccc1OC ZINC000015551158 441205223 /nfs/dbraw/zinc/20/52/23/441205223.db2.gz GBBCHIKOKYZEKY-UHFFFAOYSA-N 1 2 325.796 1.792 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000015551158 441205227 /nfs/dbraw/zinc/20/52/27/441205227.db2.gz GBBCHIKOKYZEKY-UHFFFAOYSA-N 1 2 325.796 1.792 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000016484434 441226323 /nfs/dbraw/zinc/22/63/23/441226323.db2.gz JKUBBJYWHJRXPY-UHFFFAOYSA-N 1 2 330.432 1.437 20 30 EDEDLO CNC(=O)CC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000081517290 441280213 /nfs/dbraw/zinc/28/02/13/441280213.db2.gz QYSBLKJQNFDBOG-UHFFFAOYSA-N 1 2 349.456 1.180 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000073020133 441285820 /nfs/dbraw/zinc/28/58/20/441285820.db2.gz PKHZKGTUOYGPQC-GOSISDBHSA-N 1 2 344.455 1.709 20 30 EDEDLO N#Cc1ccccc1CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000023267448 441292428 /nfs/dbraw/zinc/29/24/28/441292428.db2.gz AHSQXEMBURMYQX-UHFFFAOYSA-N 1 2 326.444 1.688 20 30 EDEDLO CC[C@@H](C)NC(=O)CO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000063458369 441330346 /nfs/dbraw/zinc/33/03/46/441330346.db2.gz UWNUPLXIELBBAV-SECBINFHSA-N 1 2 343.811 1.909 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000027219633 441396633 /nfs/dbraw/zinc/39/66/33/441396633.db2.gz PQHNEVABWKGOLF-CQSZACIVSA-N 1 2 333.407 1.090 20 30 EDEDLO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccco1 ZINC000073793933 441354700 /nfs/dbraw/zinc/35/47/00/441354700.db2.gz BSHMCAXCAZGNJM-HNNXBMFYSA-N 1 2 333.413 1.874 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000074215217 441408185 /nfs/dbraw/zinc/40/81/85/441408185.db2.gz QOZFSAJBIAAMRW-CQSZACIVSA-N 1 2 333.407 1.664 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000074215217 441408189 /nfs/dbraw/zinc/40/81/89/441408189.db2.gz QOZFSAJBIAAMRW-CQSZACIVSA-N 1 2 333.407 1.664 20 30 EDEDLO CCCCNC(=O)CN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000051235306 441404884 /nfs/dbraw/zinc/40/48/84/441404884.db2.gz NDPIBYGQLOOHIC-UHFFFAOYSA-N 1 2 344.459 1.471 20 30 EDEDLO CC[N@@H+](CC(=O)NCc1cc(OC)c(OC)c(OC)c1)C[C@@H](C)C#N ZINC000066424333 441531093 /nfs/dbraw/zinc/53/10/93/441531093.db2.gz HBRKUBOWPXZTTO-ZDUSSCGKSA-N 1 2 349.431 1.810 20 30 EDEDLO CC[N@H+](CC(=O)NCc1cc(OC)c(OC)c(OC)c1)C[C@@H](C)C#N ZINC000066424333 441531097 /nfs/dbraw/zinc/53/10/97/441531097.db2.gz HBRKUBOWPXZTTO-ZDUSSCGKSA-N 1 2 349.431 1.810 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000053906650 441547440 /nfs/dbraw/zinc/54/74/40/441547440.db2.gz ZDEQGSHINJXUKW-UHFFFAOYSA-N 1 2 332.423 1.683 20 30 EDEDLO C=CCCC[N@@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000076736711 441682076 /nfs/dbraw/zinc/68/20/76/441682076.db2.gz KPRMGTWIPDGYFL-INIZCTEOSA-N 1 2 342.505 1.843 20 30 EDEDLO C=CCCC[N@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000076736711 441682080 /nfs/dbraw/zinc/68/20/80/441682080.db2.gz KPRMGTWIPDGYFL-INIZCTEOSA-N 1 2 342.505 1.843 20 30 EDEDLO C=CC[N@@H+](CC(=O)N(C)CC(=O)NCCC)Cc1ccc(OC)cc1 ZINC000056291321 441699969 /nfs/dbraw/zinc/69/99/69/441699969.db2.gz IMZGBXYSKGMFJC-UHFFFAOYSA-N 1 2 347.459 1.668 20 30 EDEDLO C=CC[N@H+](CC(=O)N(C)CC(=O)NCCC)Cc1ccc(OC)cc1 ZINC000056291321 441699971 /nfs/dbraw/zinc/69/99/71/441699971.db2.gz IMZGBXYSKGMFJC-UHFFFAOYSA-N 1 2 347.459 1.668 20 30 EDEDLO CC1CCC(NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)CC1 ZINC000158209933 441706286 /nfs/dbraw/zinc/70/62/86/441706286.db2.gz ITEKIPWNCGPVIE-UHFFFAOYSA-N 1 2 331.416 1.953 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)[C@H]2C1 ZINC000158389144 441733706 /nfs/dbraw/zinc/73/37/06/441733706.db2.gz YMXYWRIVLJOBMU-IXDOHACOSA-N 1 2 349.475 1.940 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)[C@H]2C1 ZINC000158389144 441733710 /nfs/dbraw/zinc/73/37/10/441733710.db2.gz YMXYWRIVLJOBMU-IXDOHACOSA-N 1 2 349.475 1.940 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000121533363 441726838 /nfs/dbraw/zinc/72/68/38/441726838.db2.gz NORLOMJMGFQIQV-INIZCTEOSA-N 1 2 340.387 1.674 20 30 EDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426425947 447442051 /nfs/dbraw/zinc/44/20/51/447442051.db2.gz SWGXZHOICKSRDB-HNNXBMFYSA-N 1 2 326.849 1.705 20 30 EDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426425947 447442057 /nfs/dbraw/zinc/44/20/57/447442057.db2.gz SWGXZHOICKSRDB-HNNXBMFYSA-N 1 2 326.849 1.705 20 30 EDEDLO C=CCCOCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000121774712 441777933 /nfs/dbraw/zinc/77/79/33/441777933.db2.gz UBBRXHNULDECKW-SFHVURJKSA-N 1 2 347.459 1.952 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000160620533 441903425 /nfs/dbraw/zinc/90/34/25/441903425.db2.gz CMIOVVAHAZYBGG-CYBMUJFWSA-N 1 2 330.407 1.482 20 30 EDEDLO CC(C)(CNc1c(C#N)nnc2ccccc21)[NH+]1CCS(=O)CC1 ZINC000078297855 441915297 /nfs/dbraw/zinc/91/52/97/441915297.db2.gz VOMJPLFPEDKTRX-UHFFFAOYSA-N 1 2 343.456 1.756 20 30 EDEDLO COc1ccccc1N1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000069302866 441916218 /nfs/dbraw/zinc/91/62/18/441916218.db2.gz JWLCCCYZJRRSCM-LJQANCHMSA-N 1 2 344.459 1.872 20 30 EDEDLO C#CCCCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000119847925 441963870 /nfs/dbraw/zinc/96/38/70/441963870.db2.gz FWJYQLFRUPPJHS-INIZCTEOSA-N 1 2 325.478 1.297 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000150973725 441984854 /nfs/dbraw/zinc/98/48/54/441984854.db2.gz QPXUPVDDEIAJOV-FZMZJTMJSA-N 1 2 346.456 1.525 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1C#N ZINC000150973725 441984860 /nfs/dbraw/zinc/98/48/60/441984860.db2.gz QPXUPVDDEIAJOV-FZMZJTMJSA-N 1 2 346.456 1.525 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000161986618 442053212 /nfs/dbraw/zinc/05/32/12/442053212.db2.gz GNKVCPOJSKKTEF-UHFFFAOYSA-N 1 2 326.360 1.522 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(C#N)c1C ZINC000170735104 442253589 /nfs/dbraw/zinc/25/35/89/442253589.db2.gz DHCCDTUHZXNSMS-ZDUSSCGKSA-N 1 2 332.404 1.684 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c(C#N)c1C ZINC000170735104 442253591 /nfs/dbraw/zinc/25/35/91/442253591.db2.gz DHCCDTUHZXNSMS-ZDUSSCGKSA-N 1 2 332.404 1.684 20 30 EDEDLO NC(CCO)=[NH+]OCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000121364854 442208939 /nfs/dbraw/zinc/20/89/39/442208939.db2.gz UMGGXSACZRXNTP-KRWDZBQOSA-N 1 2 337.395 1.844 20 30 EDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000121410909 442213467 /nfs/dbraw/zinc/21/34/67/442213467.db2.gz SJTYAHQQWLATDD-UHFFFAOYSA-N 1 2 327.388 1.576 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)cc(Cl)c2)CC1 ZINC000152701703 442238758 /nfs/dbraw/zinc/23/87/58/442238758.db2.gz QCKHFZBYIQXNBQ-UHFFFAOYSA-N 1 2 347.846 1.546 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)cc(Cl)c2)CC1 ZINC000152701703 442238762 /nfs/dbraw/zinc/23/87/62/442238762.db2.gz QCKHFZBYIQXNBQ-UHFFFAOYSA-N 1 2 347.846 1.546 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1Cl ZINC000129587574 442323672 /nfs/dbraw/zinc/32/36/72/442323672.db2.gz SSMGLGVZIAYWQM-UHFFFAOYSA-N 1 2 332.791 1.457 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000154713400 442353066 /nfs/dbraw/zinc/35/30/66/442353066.db2.gz UJYMGELLJDJXCU-UHFFFAOYSA-N 1 2 330.388 1.401 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000154722824 442353570 /nfs/dbraw/zinc/35/35/70/442353570.db2.gz HJBOODWEUUXBCN-UHFFFAOYSA-N 1 2 328.372 1.520 20 30 EDEDLO C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000171683999 442369870 /nfs/dbraw/zinc/36/98/70/442369870.db2.gz YSBINONLNOLCIN-CABCVRRESA-N 1 2 346.431 1.497 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1C#N ZINC000133393047 442416558 /nfs/dbraw/zinc/41/65/58/442416558.db2.gz FYHRQCJDAARRCW-CYBMUJFWSA-N 1 2 334.445 1.381 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1C#N ZINC000133393047 442416562 /nfs/dbraw/zinc/41/65/62/442416562.db2.gz FYHRQCJDAARRCW-CYBMUJFWSA-N 1 2 334.445 1.381 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179498535 442467849 /nfs/dbraw/zinc/46/78/49/442467849.db2.gz FMMQOTKFPMIKJK-AWEZNQCLSA-N 1 2 330.436 1.624 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179498535 442467856 /nfs/dbraw/zinc/46/78/56/442467856.db2.gz FMMQOTKFPMIKJK-AWEZNQCLSA-N 1 2 330.436 1.624 20 30 EDEDLO COc1ccnc(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)n1 ZINC000178972464 442542235 /nfs/dbraw/zinc/54/22/35/442542235.db2.gz MBRHIVLRWCGFIF-UHFFFAOYSA-N 1 2 326.375 1.798 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000157094208 442549437 /nfs/dbraw/zinc/54/94/37/442549437.db2.gz DUHGWVTXMQUVET-CWRNSKLLSA-N 1 2 328.416 1.992 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000157094208 442549442 /nfs/dbraw/zinc/54/94/42/442549442.db2.gz DUHGWVTXMQUVET-CWRNSKLLSA-N 1 2 328.416 1.992 20 30 EDEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@H]3CCNC3=O)c2)n1 ZINC000179119104 442576452 /nfs/dbraw/zinc/57/64/52/442576452.db2.gz JTHKUNAIPSZIEO-HNNXBMFYSA-N 1 2 327.388 1.074 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157573496 442593200 /nfs/dbraw/zinc/59/32/00/442593200.db2.gz HQYNGTXQWCAEIV-AWEZNQCLSA-N 1 2 347.390 1.732 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157573496 442593204 /nfs/dbraw/zinc/59/32/04/442593204.db2.gz HQYNGTXQWCAEIV-AWEZNQCLSA-N 1 2 347.390 1.732 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157573657 442594130 /nfs/dbraw/zinc/59/41/30/442594130.db2.gz HQYNGTXQWCAEIV-CQSZACIVSA-N 1 2 347.390 1.732 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157573657 442594131 /nfs/dbraw/zinc/59/41/31/442594131.db2.gz HQYNGTXQWCAEIV-CQSZACIVSA-N 1 2 347.390 1.732 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)NC[C@@H](C)C#N)CC1 ZINC000186877297 442625209 /nfs/dbraw/zinc/62/52/09/442625209.db2.gz KSGKILZYDQNZDU-AWEZNQCLSA-N 1 2 343.431 1.632 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCN1S(C)(=O)=O ZINC000181607024 442706143 /nfs/dbraw/zinc/70/61/43/442706143.db2.gz QKCCFADMMRXEJF-AWEZNQCLSA-N 1 2 335.473 1.953 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCN1S(C)(=O)=O ZINC000181607024 442706145 /nfs/dbraw/zinc/70/61/45/442706145.db2.gz QKCCFADMMRXEJF-AWEZNQCLSA-N 1 2 335.473 1.953 20 30 EDEDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000188312266 442737307 /nfs/dbraw/zinc/73/73/07/442737307.db2.gz VDZHCCHIEFACRI-ZDUSSCGKSA-N 1 2 337.445 1.024 20 30 EDEDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000188312266 442737309 /nfs/dbraw/zinc/73/73/09/442737309.db2.gz VDZHCCHIEFACRI-ZDUSSCGKSA-N 1 2 337.445 1.024 20 30 EDEDLO C=CCNC(=O)CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000181746764 442714288 /nfs/dbraw/zinc/71/42/88/442714288.db2.gz XKRNLHMXYSRPOD-UHFFFAOYSA-N 1 2 332.429 1.294 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000267900819 442781911 /nfs/dbraw/zinc/78/19/11/442781911.db2.gz BMTOPIPWKUPWRC-ZDUSSCGKSA-N 1 2 345.403 1.503 20 30 EDEDLO COC[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 ZINC000246766374 442811588 /nfs/dbraw/zinc/81/15/88/442811588.db2.gz NYXRTPXKQZWZNX-GARNVTTQSA-N 1 2 337.464 1.653 20 30 EDEDLO COC[C@H]1C[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 ZINC000246766374 442811590 /nfs/dbraw/zinc/81/15/90/442811590.db2.gz NYXRTPXKQZWZNX-GARNVTTQSA-N 1 2 337.464 1.653 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1)C1(C#N)CCCCC1 ZINC000246803309 442815137 /nfs/dbraw/zinc/81/51/37/442815137.db2.gz DCGRJDCNFSTOSZ-CVEARBPZSA-N 1 2 335.448 1.551 20 30 EDEDLO CN(C(=O)C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1)C1(C#N)CCCCC1 ZINC000246803309 442815141 /nfs/dbraw/zinc/81/51/41/442815141.db2.gz DCGRJDCNFSTOSZ-CVEARBPZSA-N 1 2 335.448 1.551 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000194137450 442850895 /nfs/dbraw/zinc/85/08/95/442850895.db2.gz WPKPKCIOHBMYFY-UHFFFAOYSA-N 1 2 342.443 1.597 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000194137450 442850898 /nfs/dbraw/zinc/85/08/98/442850898.db2.gz WPKPKCIOHBMYFY-UHFFFAOYSA-N 1 2 342.443 1.597 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000265638408 442856761 /nfs/dbraw/zinc/85/67/61/442856761.db2.gz HTJUJGVXJKYRRY-UHFFFAOYSA-N 1 2 348.255 1.718 20 30 EDEDLO N#Cc1cc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)ccc1Cl ZINC000189096327 442876981 /nfs/dbraw/zinc/87/69/81/442876981.db2.gz PNCDENTXABDWGW-UHFFFAOYSA-N 1 2 343.836 1.212 20 30 EDEDLO N#Cc1cc(S(=O)(=O)NCC[N@H+]2CCCOCC2)ccc1Cl ZINC000189096327 442876985 /nfs/dbraw/zinc/87/69/85/442876985.db2.gz PNCDENTXABDWGW-UHFFFAOYSA-N 1 2 343.836 1.212 20 30 EDEDLO COCc1noc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)n1 ZINC000183174227 442894903 /nfs/dbraw/zinc/89/49/03/442894903.db2.gz NYLNSZXDWWGKAN-UHFFFAOYSA-N 1 2 346.391 1.438 20 30 EDEDLO CN(C1CC[NH+](Cc2cc(F)ccc2C#N)CC1)S(C)(=O)=O ZINC000268306621 442940092 /nfs/dbraw/zinc/94/00/92/442940092.db2.gz OORCJUBHOZVXSK-UHFFFAOYSA-N 1 2 325.409 1.553 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000265971562 442989759 /nfs/dbraw/zinc/98/97/59/442989759.db2.gz KXSVVTWYIHRWGS-LBPRGKRZSA-N 1 2 336.457 1.995 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000265971562 442989761 /nfs/dbraw/zinc/98/97/61/442989761.db2.gz KXSVVTWYIHRWGS-LBPRGKRZSA-N 1 2 336.457 1.995 20 30 EDEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000268586134 443043144 /nfs/dbraw/zinc/04/31/44/443043144.db2.gz DRCLCYPVMHMUQB-INIZCTEOSA-N 1 2 325.368 1.643 20 30 EDEDLO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nnnn1-c1ccccc1 ZINC000184816260 443080639 /nfs/dbraw/zinc/08/06/39/443080639.db2.gz RJPZEFIVBIINJL-SJCJKPOMSA-N 1 2 339.403 1.121 20 30 EDEDLO CCc1nnc(C2CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC2)[nH]1 ZINC000190665562 443160322 /nfs/dbraw/zinc/16/03/22/443160322.db2.gz NTKQVDHSSXMQNO-ZDUSSCGKSA-N 1 2 332.452 1.555 20 30 EDEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC2)n1 ZINC000190665562 443160327 /nfs/dbraw/zinc/16/03/27/443160327.db2.gz NTKQVDHSSXMQNO-ZDUSSCGKSA-N 1 2 332.452 1.555 20 30 EDEDLO CCc1nc(C2CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC2)n[nH]1 ZINC000190665562 443160332 /nfs/dbraw/zinc/16/03/32/443160332.db2.gz NTKQVDHSSXMQNO-ZDUSSCGKSA-N 1 2 332.452 1.555 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000264306001 443259361 /nfs/dbraw/zinc/25/93/61/443259361.db2.gz XQGWWXWRVRETPE-AWEZNQCLSA-N 1 2 341.415 1.710 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000267054556 443326007 /nfs/dbraw/zinc/32/60/07/443326007.db2.gz RNOYQGNSJSQGGX-HNNXBMFYSA-N 1 2 347.459 1.512 20 30 EDEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000267054556 443326009 /nfs/dbraw/zinc/32/60/09/443326009.db2.gz RNOYQGNSJSQGGX-HNNXBMFYSA-N 1 2 347.459 1.512 20 30 EDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(C#N)cc1C(F)(F)F ZINC000267529805 443486335 /nfs/dbraw/zinc/48/63/35/443486335.db2.gz KEONFJPHUHRYFJ-CYBMUJFWSA-N 1 2 343.349 1.706 20 30 EDEDLO C=CC[C@@H]1N(C(=O)C(=O)NCCCn2cc[nH+]c2)CCCC1(C)C ZINC000283087657 443517947 /nfs/dbraw/zinc/51/79/47/443517947.db2.gz CWFXTNNFBHCLGY-HNNXBMFYSA-N 1 2 332.448 1.983 20 30 EDEDLO N#CCCCNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000273164472 443554509 /nfs/dbraw/zinc/55/45/09/443554509.db2.gz ZYPIASPEVCQNFE-UHFFFAOYSA-N 1 2 349.394 1.960 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000275673518 443636187 /nfs/dbraw/zinc/63/61/87/443636187.db2.gz JVTWNVSCADEENC-CQSZACIVSA-N 1 2 344.415 1.075 20 30 EDEDLO C=CCCC(=O)N1CCC[C@H](c2n[nH]cc2C[NH+]2CCOCC2)C1 ZINC000286067834 443639108 /nfs/dbraw/zinc/63/91/08/443639108.db2.gz AVEKBCSPQQPFTC-HNNXBMFYSA-N 1 2 332.448 1.914 20 30 EDEDLO CCN(CC#N)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000265352340 443613421 /nfs/dbraw/zinc/61/34/21/443613421.db2.gz DHNVBPBUAXRRDW-UHFFFAOYSA-N 1 2 334.851 1.830 20 30 EDEDLO CC1(C#N)CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000272404552 443615615 /nfs/dbraw/zinc/61/56/15/443615615.db2.gz BGJOQDSSVKPYTP-UHFFFAOYSA-N 1 2 343.431 1.753 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ncccc1OCCCC#N ZINC000276042292 443649984 /nfs/dbraw/zinc/64/99/84/443649984.db2.gz GVRZAZSROUUBCP-CQSZACIVSA-N 1 2 347.419 1.606 20 30 EDEDLO C[C@@H](c1nnnn1C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000276272397 443678872 /nfs/dbraw/zinc/67/88/72/443678872.db2.gz SHSKQQUESDXYRL-LBPRGKRZSA-N 1 2 339.403 1.493 20 30 EDEDLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCCCCC#N)CC1 ZINC000286777841 443725254 /nfs/dbraw/zinc/72/52/54/443725254.db2.gz RQIMVUHLRJZUOJ-UHFFFAOYSA-N 1 2 342.443 1.449 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc(OCC#N)c1 ZINC000286871910 443728550 /nfs/dbraw/zinc/72/85/50/443728550.db2.gz CXQRBSWSWXRQTE-ZBFHGGJFSA-N 1 2 344.415 1.916 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287370493 443742271 /nfs/dbraw/zinc/74/22/71/443742271.db2.gz MLKTTXRRVXOSHV-DLBZAZTESA-N 1 2 341.411 1.717 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287370493 443742272 /nfs/dbraw/zinc/74/22/72/443742272.db2.gz MLKTTXRRVXOSHV-DLBZAZTESA-N 1 2 341.411 1.717 20 30 EDEDLO CN1C[C@@H]2[C@@H](CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)C1=O ZINC000284744060 443787383 /nfs/dbraw/zinc/78/73/83/443787383.db2.gz DTJLZFJJZZOEAN-UKRRQHHQSA-N 1 2 346.818 1.703 20 30 EDEDLO CN1C[C@@H]2[C@@H](CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2C#N)C1=O ZINC000284744060 443787386 /nfs/dbraw/zinc/78/73/86/443787386.db2.gz DTJLZFJJZZOEAN-UKRRQHHQSA-N 1 2 346.818 1.703 20 30 EDEDLO C[N@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292309868 443789379 /nfs/dbraw/zinc/78/93/79/443789379.db2.gz VGSMPCQGLZYOMC-HNNXBMFYSA-N 1 2 326.849 1.657 20 30 EDEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292309868 443789382 /nfs/dbraw/zinc/78/93/82/443789382.db2.gz VGSMPCQGLZYOMC-HNNXBMFYSA-N 1 2 326.849 1.657 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000284290883 443771666 /nfs/dbraw/zinc/77/16/66/443771666.db2.gz YNGARYCVUOSPSA-FUHWJXTLSA-N 1 2 347.484 1.694 20 30 EDEDLO CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288108941 443773620 /nfs/dbraw/zinc/77/36/20/443773620.db2.gz BCLJXGKZAMUTPG-AWEZNQCLSA-N 1 2 341.390 1.916 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N3CCSCC3)CC2)cc1 ZINC000285084169 443849160 /nfs/dbraw/zinc/84/91/60/443849160.db2.gz JXBASONJKMBSPG-UHFFFAOYSA-N 1 2 330.457 1.845 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)C(C)(C)C ZINC000288288212 443833499 /nfs/dbraw/zinc/83/34/99/443833499.db2.gz FRMIDHBHRYKPDI-HNNXBMFYSA-N 1 2 330.432 1.765 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000281339835 443884708 /nfs/dbraw/zinc/88/47/08/443884708.db2.gz MLEFYEWUJCSHQE-JSGCOSHPSA-N 1 2 345.399 1.461 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000281339835 443884713 /nfs/dbraw/zinc/88/47/13/443884713.db2.gz MLEFYEWUJCSHQE-JSGCOSHPSA-N 1 2 345.399 1.461 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)CCC3)C1=O ZINC000281298658 443872743 /nfs/dbraw/zinc/87/27/43/443872743.db2.gz JSBOKPBGDJHPBY-QGZVFWFLSA-N 1 2 327.428 1.833 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)CCC3)C1=O ZINC000281298658 443872746 /nfs/dbraw/zinc/87/27/46/443872746.db2.gz JSBOKPBGDJHPBY-QGZVFWFLSA-N 1 2 327.428 1.833 20 30 EDEDLO CCc1ccc(C#CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000293233537 443958877 /nfs/dbraw/zinc/95/88/77/443958877.db2.gz FAJFGYCWZIGNMF-IBGZPJMESA-N 1 2 326.440 1.924 20 30 EDEDLO C=CCN1CC[C@H](N2CC[NH+](Cc3ccccc3OC)CC2)C1=O ZINC000281930087 444042561 /nfs/dbraw/zinc/04/25/61/444042561.db2.gz HYKMPTWNJRAGQU-KRWDZBQOSA-N 1 2 329.444 1.600 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3ccccc3OC)CC2)C1=O ZINC000281930087 444042565 /nfs/dbraw/zinc/04/25/65/444042565.db2.gz HYKMPTWNJRAGQU-KRWDZBQOSA-N 1 2 329.444 1.600 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2[nH]c1=S ZINC000285608280 444046363 /nfs/dbraw/zinc/04/63/63/444046363.db2.gz CDQVGJSPQSSALZ-LLVKDONJSA-N 1 2 344.440 1.305 20 30 EDEDLO Cc1cc(CO[NH+]=C(N)CN2CCOCC2)ccc1Br ZINC000281808634 444010950 /nfs/dbraw/zinc/01/09/50/444010950.db2.gz GROFNJANUMBQEU-UHFFFAOYSA-N 1 2 342.237 1.879 20 30 EDEDLO CO[C@@H](C)CS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000281838918 444019303 /nfs/dbraw/zinc/01/93/03/444019303.db2.gz SSYAXQYZXHIOGV-AWEZNQCLSA-N 1 2 337.445 1.041 20 30 EDEDLO Cc1nc(CC[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)no1 ZINC000299601124 444091657 /nfs/dbraw/zinc/09/16/57/444091657.db2.gz MIKLMJAIXDKUKW-JTQLQIEISA-N 1 2 331.376 1.961 20 30 EDEDLO Cc1nc(CC[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)no1 ZINC000299601124 444091659 /nfs/dbraw/zinc/09/16/59/444091659.db2.gz MIKLMJAIXDKUKW-JTQLQIEISA-N 1 2 331.376 1.961 20 30 EDEDLO N#Cc1ccc(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)nc1 ZINC000566413583 321228419 /nfs/dbraw/zinc/22/84/19/321228419.db2.gz GPWMSXOYRKGLMB-QGZVFWFLSA-N 1 2 328.416 1.557 20 30 EDEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)nc1 ZINC000566413583 321228420 /nfs/dbraw/zinc/22/84/20/321228420.db2.gz GPWMSXOYRKGLMB-QGZVFWFLSA-N 1 2 328.416 1.557 20 30 EDEDLO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000567052270 321240170 /nfs/dbraw/zinc/24/01/70/321240170.db2.gz TVGIFUNSDKQLGC-UHFFFAOYSA-N 1 2 346.387 1.536 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000294142511 444103793 /nfs/dbraw/zinc/10/37/93/444103793.db2.gz HBCOEEUZKBKSJZ-DLBZAZTESA-N 1 2 328.416 1.169 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000294142511 444103796 /nfs/dbraw/zinc/10/37/96/444103796.db2.gz HBCOEEUZKBKSJZ-DLBZAZTESA-N 1 2 328.416 1.169 20 30 EDEDLO COC(=O)c1cnoc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000285856397 444130638 /nfs/dbraw/zinc/13/06/38/444130638.db2.gz DDBQOWNQXCPWNN-UHFFFAOYSA-N 1 2 340.383 1.651 20 30 EDEDLO C#CCO[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000294663608 444134133 /nfs/dbraw/zinc/13/41/33/444134133.db2.gz QOGYDVMSDNYBBS-AEFFLSMTSA-N 1 2 330.428 1.084 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccccc1 ZINC000285894763 444144737 /nfs/dbraw/zinc/14/47/37/444144737.db2.gz ZLUPJTGENNVDAK-UHFFFAOYSA-N 1 2 339.439 1.203 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccccc1 ZINC000285894763 444144742 /nfs/dbraw/zinc/14/47/42/444144742.db2.gz ZLUPJTGENNVDAK-UHFFFAOYSA-N 1 2 339.439 1.203 20 30 EDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H]1CCCC[C@H]1O ZINC000289820190 444207577 /nfs/dbraw/zinc/20/75/77/444207577.db2.gz JIBDXGYVOJIYMY-LSDHHAIUSA-N 1 2 337.445 1.210 20 30 EDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H]1CCCC[C@H]1O ZINC000289820190 444207580 /nfs/dbraw/zinc/20/75/80/444207580.db2.gz JIBDXGYVOJIYMY-LSDHHAIUSA-N 1 2 337.445 1.210 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(c3cc(C#N)ccc3C(C)=O)C2)CC1 ZINC000302085991 444203509 /nfs/dbraw/zinc/20/35/09/444203509.db2.gz DWYCECGSPWBDMH-QGZVFWFLSA-N 1 2 326.444 1.977 20 30 EDEDLO C#CCOc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000296498454 444233576 /nfs/dbraw/zinc/23/35/76/444233576.db2.gz XWGHINUTNGTUOM-OAHLLOKOSA-N 1 2 331.416 1.219 20 30 EDEDLO COC(=O)[C@H]([NH+]1CCN(c2cc(C#N)ccn2)CC1)C1(OC)CCC1 ZINC000297587199 444305176 /nfs/dbraw/zinc/30/51/76/444305176.db2.gz DWNWWVQCGFRHAC-INIZCTEOSA-N 1 2 344.415 1.186 20 30 EDEDLO CC[C@H](C)[NH+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000321987988 444338388 /nfs/dbraw/zinc/33/83/88/444338388.db2.gz VIPUCLIJBFGPGV-HNNXBMFYSA-N 1 2 335.473 1.748 20 30 EDEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](O)C1)C1CCCCC1 ZINC000328764821 444344823 /nfs/dbraw/zinc/34/48/23/444344823.db2.gz GMJMYOTXUCTDLD-HOTGVXAUSA-N 1 2 348.447 1.841 20 30 EDEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](O)C1)C1CCCCC1 ZINC000328764821 444344825 /nfs/dbraw/zinc/34/48/25/444344825.db2.gz GMJMYOTXUCTDLD-HOTGVXAUSA-N 1 2 348.447 1.841 20 30 EDEDLO Cc1cc(=O)c(C(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cn1C1CC1 ZINC000328774146 444348495 /nfs/dbraw/zinc/34/84/95/444348495.db2.gz KFAGBISNBAOGQG-CQSZACIVSA-N 1 2 332.448 1.432 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340196363 444368794 /nfs/dbraw/zinc/36/87/94/444368794.db2.gz CQBDAKASHWIESV-DYEKYZERSA-N 1 2 335.370 1.772 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340196363 444368798 /nfs/dbraw/zinc/36/87/98/444368798.db2.gz CQBDAKASHWIESV-DYEKYZERSA-N 1 2 335.370 1.772 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(CC(=O)Nc3cc(C(C)(C)C)no3)C[C@@H]21 ZINC000328923199 444404407 /nfs/dbraw/zinc/40/44/07/444404407.db2.gz UTMRYMNYHXVJMK-STQMWFEESA-N 1 2 336.436 1.965 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(CC(=O)Nc3cc(C(C)(C)C)no3)C[C@@H]21 ZINC000328923199 444404411 /nfs/dbraw/zinc/40/44/11/444404411.db2.gz UTMRYMNYHXVJMK-STQMWFEESA-N 1 2 336.436 1.965 20 30 EDEDLO Cc1cccc(NC(=O)NCC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000328927581 444407064 /nfs/dbraw/zinc/40/70/64/444407064.db2.gz XEKHHOSFSNQJKL-CVEARBPZSA-N 1 2 346.431 1.252 20 30 EDEDLO C[C@H]1CCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000328936706 444411858 /nfs/dbraw/zinc/41/18/58/444411858.db2.gz GAOFBVMKQDOLKK-DXCKQFNASA-N 1 2 345.447 1.870 20 30 EDEDLO Cc1ncc(C[NH+]2CCN(C(=O)NCc3ccn(C)n3)CC2)s1 ZINC000328948777 444417873 /nfs/dbraw/zinc/41/78/73/444417873.db2.gz BWUZLIWYADLAIG-UHFFFAOYSA-N 1 2 334.449 1.417 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CCCC2)CCC(=O)N1C1CC1 ZINC000328953913 444421359 /nfs/dbraw/zinc/42/13/59/444421359.db2.gz MQIXQYDGNCTJSQ-CZUORRHYSA-N 1 2 331.420 1.624 20 30 EDEDLO C=CCn1c([C@@H]2OCC[C@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000337822782 444424512 /nfs/dbraw/zinc/42/45/12/444424512.db2.gz SXTFVIGBZCVJMX-HUUCEWRRSA-N 1 2 335.452 1.330 20 30 EDEDLO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000337822783 444424725 /nfs/dbraw/zinc/42/47/25/444424725.db2.gz SXTFVIGBZCVJMX-LSDHHAIUSA-N 1 2 335.452 1.330 20 30 EDEDLO CC(=O)Nc1ccccc1CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328856018 444376921 /nfs/dbraw/zinc/37/69/21/444376921.db2.gz CVRITZDIJRQUEY-IRXDYDNUSA-N 1 2 331.416 1.769 20 30 EDEDLO CC(=O)Nc1ccccc1CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328856018 444376924 /nfs/dbraw/zinc/37/69/24/444376924.db2.gz CVRITZDIJRQUEY-IRXDYDNUSA-N 1 2 331.416 1.769 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2cc3c(cc2Cl)OCO3)C1 ZINC000328895344 444391911 /nfs/dbraw/zinc/39/19/11/444391911.db2.gz WEBOKKFTICLEMI-JTQLQIEISA-N 1 2 340.811 1.640 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2cc3c(cc2Cl)OCO3)C1 ZINC000328895344 444391914 /nfs/dbraw/zinc/39/19/14/444391914.db2.gz WEBOKKFTICLEMI-JTQLQIEISA-N 1 2 340.811 1.640 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000331096188 444392246 /nfs/dbraw/zinc/39/22/46/444392246.db2.gz LVNYOBBYKPVYEI-CQSZACIVSA-N 1 2 327.837 1.725 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000331096188 444392252 /nfs/dbraw/zinc/39/22/52/444392252.db2.gz LVNYOBBYKPVYEI-CQSZACIVSA-N 1 2 327.837 1.725 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+]1CCOC ZINC000331221816 444449114 /nfs/dbraw/zinc/44/91/14/444449114.db2.gz KFIMBFXXPLRONX-LBPRGKRZSA-N 1 2 343.474 1.351 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1CCOC ZINC000331221816 444449118 /nfs/dbraw/zinc/44/91/18/444449118.db2.gz KFIMBFXXPLRONX-LBPRGKRZSA-N 1 2 343.474 1.351 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000337952404 444469073 /nfs/dbraw/zinc/46/90/73/444469073.db2.gz RRPKZDANUKLYQR-CQSZACIVSA-N 1 2 347.444 1.500 20 30 EDEDLO CCOC1CC2(C1)CC[N@@H+]([C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)C2 ZINC000329101562 444472429 /nfs/dbraw/zinc/47/24/29/444472429.db2.gz ZUGNTZHSGYOGNC-NOZYUVCASA-N 1 2 344.477 1.410 20 30 EDEDLO CCOC1CC2(C1)CC[N@H+]([C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)C2 ZINC000329101562 444472433 /nfs/dbraw/zinc/47/24/33/444472433.db2.gz ZUGNTZHSGYOGNC-NOZYUVCASA-N 1 2 344.477 1.410 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000328975891 444430938 /nfs/dbraw/zinc/43/09/38/444430938.db2.gz PZOCVZQYRJNLIW-LVQVYYBASA-N 1 2 326.437 1.638 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000328975891 444430942 /nfs/dbraw/zinc/43/09/42/444430942.db2.gz PZOCVZQYRJNLIW-LVQVYYBASA-N 1 2 326.437 1.638 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@H]2CCCOC2)CCC(=O)N1C1CC1 ZINC000329000578 444439911 /nfs/dbraw/zinc/43/99/11/444439911.db2.gz HLCPGJGJYLYFJE-DXCKQFNASA-N 1 2 346.431 1.998 20 30 EDEDLO Cc1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nn1CCC#N ZINC000331758094 444486926 /nfs/dbraw/zinc/48/69/26/444486926.db2.gz MSMNMADCDAWGCU-CYBMUJFWSA-N 1 2 327.392 2.240 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)C1(C#N)CCCCC1 ZINC000332144442 444502508 /nfs/dbraw/zinc/50/25/08/444502508.db2.gz HJARLDCDCNJFBB-CYBMUJFWSA-N 1 2 347.419 1.639 20 30 EDEDLO CN(C(=O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)C1(C#N)CCCCC1 ZINC000332144442 444502512 /nfs/dbraw/zinc/50/25/12/444502512.db2.gz HJARLDCDCNJFBB-CYBMUJFWSA-N 1 2 347.419 1.639 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1)C1(C#N)CCCCC1 ZINC000332144442 444502516 /nfs/dbraw/zinc/50/25/16/444502516.db2.gz HJARLDCDCNJFBB-CYBMUJFWSA-N 1 2 347.419 1.639 20 30 EDEDLO CN(C(=O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1)C1(C#N)CCCCC1 ZINC000332144442 444502519 /nfs/dbraw/zinc/50/25/19/444502519.db2.gz HJARLDCDCNJFBB-CYBMUJFWSA-N 1 2 347.419 1.639 20 30 EDEDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329210932 444502961 /nfs/dbraw/zinc/50/29/61/444502961.db2.gz ZUUQTXAAWURICS-CORIIIEPSA-N 1 2 340.420 1.790 20 30 EDEDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329210932 444502963 /nfs/dbraw/zinc/50/29/63/444502963.db2.gz ZUUQTXAAWURICS-CORIIIEPSA-N 1 2 340.420 1.790 20 30 EDEDLO O=C(NCC#Cc1cccc(F)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000338108878 444519027 /nfs/dbraw/zinc/51/90/27/444519027.db2.gz SHUMRWIULIXHBZ-KRWDZBQOSA-N 1 2 331.391 1.293 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000329395812 444562689 /nfs/dbraw/zinc/56/26/89/444562689.db2.gz XEGGPVCZOGTUKM-OAHLLOKOSA-N 1 2 333.432 1.593 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000329395812 444562692 /nfs/dbraw/zinc/56/26/92/444562692.db2.gz XEGGPVCZOGTUKM-OAHLLOKOSA-N 1 2 333.432 1.593 20 30 EDEDLO CN(C)c1nccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)n1 ZINC000340899652 444566172 /nfs/dbraw/zinc/56/61/72/444566172.db2.gz JQVPILFNNGRCNT-GOSISDBHSA-N 1 2 336.443 1.925 20 30 EDEDLO O=C(N[C@H]1CCCSC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329335008 444539711 /nfs/dbraw/zinc/53/97/11/444539711.db2.gz XOXLWQHCVQEZJE-KBPBESRZSA-N 1 2 341.477 1.019 20 30 EDEDLO Cn1cc(N2CCC[C@H](NC(=O)C3([NH+]4CCOCC4)CCC3)C2)cn1 ZINC000329346458 444543129 /nfs/dbraw/zinc/54/31/29/444543129.db2.gz VDGYHWYUCZOQQN-HNNXBMFYSA-N 1 2 347.463 1.600 20 30 EDEDLO CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)ccc1O ZINC000329486295 444599045 /nfs/dbraw/zinc/59/90/45/444599045.db2.gz GGSFDKXHZXYSFT-LBPRGKRZSA-N 1 2 339.417 1.515 20 30 EDEDLO CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)ccc1O ZINC000329486295 444599049 /nfs/dbraw/zinc/59/90/49/444599049.db2.gz GGSFDKXHZXYSFT-LBPRGKRZSA-N 1 2 339.417 1.515 20 30 EDEDLO COc1ccc2c(c1OC)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000340968458 444606246 /nfs/dbraw/zinc/60/62/46/444606246.db2.gz GBEPQEQAZZWXBD-IBGZPJMESA-N 1 2 343.427 1.870 20 30 EDEDLO COc1ccc2c(c1OC)CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000340968458 444606251 /nfs/dbraw/zinc/60/62/51/444606251.db2.gz GBEPQEQAZZWXBD-IBGZPJMESA-N 1 2 343.427 1.870 20 30 EDEDLO CC#CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000342415486 444682537 /nfs/dbraw/zinc/68/25/37/444682537.db2.gz QCAJWUZHKLCGLU-UHFFFAOYSA-N 1 2 334.464 1.033 20 30 EDEDLO O=C(C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000329595552 444641524 /nfs/dbraw/zinc/64/15/24/444641524.db2.gz IFQVZDSIEZMHNH-AWEZNQCLSA-N 1 2 347.415 1.657 20 30 EDEDLO O=C(C[N@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000329595552 444641529 /nfs/dbraw/zinc/64/15/29/444641529.db2.gz IFQVZDSIEZMHNH-AWEZNQCLSA-N 1 2 347.415 1.657 20 30 EDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000342472190 444705467 /nfs/dbraw/zinc/70/54/67/444705467.db2.gz JYCMCOFMLGEJND-GOSISDBHSA-N 1 2 343.427 1.649 20 30 EDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000342472190 444705471 /nfs/dbraw/zinc/70/54/71/444705471.db2.gz JYCMCOFMLGEJND-GOSISDBHSA-N 1 2 343.427 1.649 20 30 EDEDLO O=C(CN1CCN(Cc2[nH]cc[nH+]2)CC1)Nc1nc2c(s1)CCC2 ZINC000329701142 444684829 /nfs/dbraw/zinc/68/48/29/444684829.db2.gz HDSCACOTEPTYGU-UHFFFAOYSA-N 1 2 346.460 1.761 20 30 EDEDLO C[C@H]1CCCCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000329712074 444688989 /nfs/dbraw/zinc/68/89/89/444688989.db2.gz PMTCFJRIYQWPSH-INIZCTEOSA-N 1 2 346.479 1.777 20 30 EDEDLO O=S1(=O)CCCC[C@H]1C[NH+]=C([O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000329719433 444691631 /nfs/dbraw/zinc/69/16/31/444691631.db2.gz BHUUGMYMJKPPRS-AWEZNQCLSA-N 1 2 340.449 1.401 20 30 EDEDLO O=C(NC[C@@H]1CCCCS1(=O)=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000329719433 444691635 /nfs/dbraw/zinc/69/16/35/444691635.db2.gz BHUUGMYMJKPPRS-AWEZNQCLSA-N 1 2 340.449 1.401 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCSC2)CC1 ZINC000329951837 444783506 /nfs/dbraw/zinc/78/35/06/444783506.db2.gz CTVGUQMUCCQXMW-KGLIPLIRSA-N 1 2 340.493 1.034 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OCC(=O)N4)C[C@H]21 ZINC000329929152 444773106 /nfs/dbraw/zinc/77/31/06/444773106.db2.gz NEPDFILXMIQQLN-OCCSQVGLSA-N 1 2 332.360 1.227 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OCC(=O)N4)C[C@H]21 ZINC000329929152 444773109 /nfs/dbraw/zinc/77/31/09/444773109.db2.gz NEPDFILXMIQQLN-OCCSQVGLSA-N 1 2 332.360 1.227 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[C@@]23CCOC3)cn1 ZINC000329982624 444798169 /nfs/dbraw/zinc/79/81/69/444798169.db2.gz OZPQIEUKQHWZLP-QBYUYEEZSA-N 1 2 336.411 1.716 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[C@@]23CCOC3)cn1 ZINC000329982624 444798173 /nfs/dbraw/zinc/79/81/73/444798173.db2.gz OZPQIEUKQHWZLP-QBYUYEEZSA-N 1 2 336.411 1.716 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC[S@](=O)C2)c1C ZINC000330008084 444809351 /nfs/dbraw/zinc/80/93/51/444809351.db2.gz FCQDFMUCEUDMAK-IPQOISQHSA-N 1 2 325.434 1.574 20 30 EDEDLO CCN1CCN(C(=O)NCc2ccc(C)nc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329964542 444789637 /nfs/dbraw/zinc/78/96/37/444789637.db2.gz QRIMAFYYIXJJFR-HNNXBMFYSA-N 1 2 328.420 1.906 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cn([C@H]3CCOC3)nn1)CCC2 ZINC000330066321 444832545 /nfs/dbraw/zinc/83/25/45/444832545.db2.gz STINJXPOGKVYJE-STQMWFEESA-N 1 2 330.392 1.627 20 30 EDEDLO O=C(C[N@@H+]1CCO[C@H](C2CC2)C1)NC[C@@H]1COc2ccccc2O1 ZINC000330113096 444848678 /nfs/dbraw/zinc/84/86/78/444848678.db2.gz CMHSENXUVHOWCG-PBHICJAKSA-N 1 2 332.400 1.894 20 30 EDEDLO O=C(C[N@H+]1CCO[C@H](C2CC2)C1)NC[C@@H]1COc2ccccc2O1 ZINC000330113096 444848682 /nfs/dbraw/zinc/84/86/82/444848682.db2.gz CMHSENXUVHOWCG-PBHICJAKSA-N 1 2 332.400 1.894 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccccc2)CC1 ZINC000330182256 444877452 /nfs/dbraw/zinc/87/74/52/444877452.db2.gz HEAKPNZDEFSIRR-OAHLLOKOSA-N 1 2 325.416 1.934 20 30 EDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccccc2)CC1 ZINC000330182256 444877455 /nfs/dbraw/zinc/87/74/55/444877455.db2.gz HEAKPNZDEFSIRR-OAHLLOKOSA-N 1 2 325.416 1.934 20 30 EDEDLO CCO[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C12CCOCC2 ZINC000330201652 444885677 /nfs/dbraw/zinc/88/56/77/444885677.db2.gz YCNBFKXMHQAJIV-QLFBSQMISA-N 1 2 348.447 1.676 20 30 EDEDLO CCO[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C12CCOCC2 ZINC000330201652 444885681 /nfs/dbraw/zinc/88/56/81/444885681.db2.gz YCNBFKXMHQAJIV-QLFBSQMISA-N 1 2 348.447 1.676 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CCOC4(CCC4)C3)CC2)cn1 ZINC000330222475 444894750 /nfs/dbraw/zinc/89/47/50/444894750.db2.gz MLMOFYWYMZKTNN-MRXNPFEDSA-N 1 2 347.463 1.553 20 30 EDEDLO Cc1c([C@H]2OCC[C@@H]2NC(=O)[C@@H](C)[NH+]2CCSCC2)cnn1C ZINC000330277235 444918899 /nfs/dbraw/zinc/91/88/99/444918899.db2.gz NYSMVMAOTSXOHX-VHDGCEQUSA-N 1 2 338.477 1.952 20 30 EDEDLO C[C@@H]1CCS(=O)(=O)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330340136 444943395 /nfs/dbraw/zinc/94/33/95/444943395.db2.gz XNVNWKCUNVLEQX-GFCCVEGCSA-N 1 2 340.449 1.142 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3nc4ccccc4s3)C[C@@H]21 ZINC000330356943 444951087 /nfs/dbraw/zinc/95/10/87/444951087.db2.gz SFXCIMZEICEWBW-QWHCGFSZSA-N 1 2 332.429 1.899 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3nc4ccccc4s3)C[C@@H]21 ZINC000330356943 444951091 /nfs/dbraw/zinc/95/10/91/444951091.db2.gz SFXCIMZEICEWBW-QWHCGFSZSA-N 1 2 332.429 1.899 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000337132571 444956198 /nfs/dbraw/zinc/95/61/98/444956198.db2.gz LOCGZBJNOYUELI-MRXNPFEDSA-N 1 2 347.846 1.885 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000341704512 444959336 /nfs/dbraw/zinc/95/93/36/444959336.db2.gz SAONEOQECJYVOP-AWEZNQCLSA-N 1 2 334.420 1.533 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000330383965 444961007 /nfs/dbraw/zinc/96/10/07/444961007.db2.gz YVZXDXILIDBCRP-STQMWFEESA-N 1 2 325.438 1.663 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000337218331 444989979 /nfs/dbraw/zinc/98/99/79/444989979.db2.gz IZLDAZGETBMCAZ-HNNXBMFYSA-N 1 2 346.818 1.869 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000337218331 444989982 /nfs/dbraw/zinc/98/99/82/444989982.db2.gz IZLDAZGETBMCAZ-HNNXBMFYSA-N 1 2 346.818 1.869 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000337220465 444991187 /nfs/dbraw/zinc/99/11/87/444991187.db2.gz KMVDAOHRNDWFPB-WFASDCNBSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000337220465 444991190 /nfs/dbraw/zinc/99/11/90/444991190.db2.gz KMVDAOHRNDWFPB-WFASDCNBSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2OC)C1=O ZINC000337237244 444998623 /nfs/dbraw/zinc/99/86/23/444998623.db2.gz YMZHFEDUAABSRD-UKRRQHHQSA-N 1 2 331.416 1.741 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2OC)C1=O ZINC000337237244 444998626 /nfs/dbraw/zinc/99/86/26/444998626.db2.gz YMZHFEDUAABSRD-UKRRQHHQSA-N 1 2 331.416 1.741 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337410094 445067436 /nfs/dbraw/zinc/06/74/36/445067436.db2.gz OPWBNEMDTRIBEA-GJZGRUSLSA-N 1 2 328.478 1.475 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337410094 445067440 /nfs/dbraw/zinc/06/74/40/445067440.db2.gz OPWBNEMDTRIBEA-GJZGRUSLSA-N 1 2 328.478 1.475 20 30 EDEDLO C=C(C)[C@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)OCC ZINC000339202913 445086840 /nfs/dbraw/zinc/08/68/40/445086840.db2.gz SOGODEIQENMYOX-INIZCTEOSA-N 1 2 347.463 1.086 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000330568758 445038817 /nfs/dbraw/zinc/03/88/17/445038817.db2.gz XAPXYOBWEQZKJH-KFWWJZLASA-N 1 2 335.452 1.075 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000330568758 445038821 /nfs/dbraw/zinc/03/88/21/445038821.db2.gz XAPXYOBWEQZKJH-KFWWJZLASA-N 1 2 335.452 1.075 20 30 EDEDLO COCC1(C#N)CC[NH+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000341987385 445109377 /nfs/dbraw/zinc/10/93/77/445109377.db2.gz GPJXXWDLVKLYRZ-CQSZACIVSA-N 1 2 331.420 1.086 20 30 EDEDLO CC#CC[N@H+](C)CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000339749008 445167137 /nfs/dbraw/zinc/16/71/37/445167137.db2.gz FVUFLMPDXGSVRI-UHFFFAOYSA-N 1 2 333.476 1.629 20 30 EDEDLO CC#CC[N@@H+](C)CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000339749008 445167139 /nfs/dbraw/zinc/16/71/39/445167139.db2.gz FVUFLMPDXGSVRI-UHFFFAOYSA-N 1 2 333.476 1.629 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000339871661 445176073 /nfs/dbraw/zinc/17/60/73/445176073.db2.gz ACLSYHSCHAMXED-HNNXBMFYSA-N 1 2 342.399 1.279 20 30 EDEDLO CN(C)C(=O)Nc1cccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000330895177 445185441 /nfs/dbraw/zinc/18/54/41/445185441.db2.gz KNCSIZSSJSVZQG-MRXNPFEDSA-N 1 2 346.431 1.340 20 30 EDEDLO C[C@@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)N(C)CCC#N)CC1 ZINC000330914079 445191690 /nfs/dbraw/zinc/19/16/90/445191690.db2.gz IRWSGHFGNWRRCW-ZDUSSCGKSA-N 1 2 342.490 1.517 20 30 EDEDLO Cc1nc(N2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc[nH+]1 ZINC000330818463 445153474 /nfs/dbraw/zinc/15/34/74/445153474.db2.gz NQTURNUJTKQYNY-KBXCAEBGSA-N 1 2 344.463 1.350 20 30 EDEDLO COCC1(C#N)CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000347266959 445235213 /nfs/dbraw/zinc/23/52/13/445235213.db2.gz HJUGHTFFIHOIHW-AWEZNQCLSA-N 1 2 331.420 1.833 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000347515603 445240208 /nfs/dbraw/zinc/24/02/08/445240208.db2.gz FXJXYTGKZBPLTD-HUUCEWRRSA-N 1 2 336.480 1.621 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000347515603 445240210 /nfs/dbraw/zinc/24/02/10/445240210.db2.gz FXJXYTGKZBPLTD-HUUCEWRRSA-N 1 2 336.480 1.621 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000348303903 445249064 /nfs/dbraw/zinc/24/90/64/445249064.db2.gz GISDDTCXSBBBST-UHFFFAOYSA-N 1 2 347.444 1.373 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CCCCOc3cccc(C#N)c3)C[C@H]21 ZINC000351705555 445282239 /nfs/dbraw/zinc/28/22/39/445282239.db2.gz YMHHSMHSMUHMOK-QZTJIDSGSA-N 1 2 343.427 1.649 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CCCCOc3cccc(C#N)c3)C[C@H]21 ZINC000351705555 445282241 /nfs/dbraw/zinc/28/22/41/445282241.db2.gz YMHHSMHSMUHMOK-QZTJIDSGSA-N 1 2 343.427 1.649 20 30 EDEDLO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C#N)CC3)C2=O)c(OC)c1 ZINC000352282795 445518013 /nfs/dbraw/zinc/51/80/13/445518013.db2.gz ZZOKVWIIVRIRQJ-OAHLLOKOSA-N 1 2 343.383 1.571 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000352412955 445527422 /nfs/dbraw/zinc/52/74/22/445527422.db2.gz KIXHXYOSMNSZJO-NSHDSACASA-N 1 2 343.399 1.761 20 30 EDEDLO Cc1cccc(N2CCN(C(=O)C[NH+]3CCC(F)(C#N)CC3)CC2)c1 ZINC000352458633 445530765 /nfs/dbraw/zinc/53/07/65/445530765.db2.gz NDLYJQILUWFNBG-UHFFFAOYSA-N 1 2 344.434 1.971 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)cn1 ZINC000357234842 445497934 /nfs/dbraw/zinc/49/79/34/445497934.db2.gz HTJHRGKHAZWFKJ-UHFFFAOYSA-N 1 2 326.360 1.522 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2=O)C(N)=O)cc1 ZINC000360070147 445553593 /nfs/dbraw/zinc/55/35/93/445553593.db2.gz SKYUTOOQRWXCQM-QZTJIDSGSA-N 1 2 348.406 1.870 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352788642 445554777 /nfs/dbraw/zinc/55/47/77/445554777.db2.gz AQYUNOGAYHGFMX-IMJJTQAJSA-N 1 2 347.415 1.022 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352788642 445554783 /nfs/dbraw/zinc/55/47/83/445554783.db2.gz AQYUNOGAYHGFMX-IMJJTQAJSA-N 1 2 347.415 1.022 20 30 EDEDLO C=C(C)C[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1cnn(C(C)C)c1 ZINC000352946600 445566838 /nfs/dbraw/zinc/56/68/38/445566838.db2.gz JQBZQPLLAFWUOD-HNNXBMFYSA-N 1 2 349.479 1.435 20 30 EDEDLO C=C(C)C[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1cnn(C(C)C)c1 ZINC000352946600 445566842 /nfs/dbraw/zinc/56/68/42/445566842.db2.gz JQBZQPLLAFWUOD-HNNXBMFYSA-N 1 2 349.479 1.435 20 30 EDEDLO CN1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1=O ZINC000352668804 445545294 /nfs/dbraw/zinc/54/52/94/445545294.db2.gz VBFAIENYQJGQFU-HNNXBMFYSA-N 1 2 348.834 1.749 20 30 EDEDLO CN1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1=O ZINC000352668804 445545298 /nfs/dbraw/zinc/54/52/98/445545298.db2.gz VBFAIENYQJGQFU-HNNXBMFYSA-N 1 2 348.834 1.749 20 30 EDEDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000360060553 445549017 /nfs/dbraw/zinc/54/90/17/445549017.db2.gz NELOJEVEVZXFTR-INIZCTEOSA-N 1 2 340.339 1.791 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000353436308 445601406 /nfs/dbraw/zinc/60/14/06/445601406.db2.gz XVFZSDBKJALVFD-UKRRQHHQSA-N 1 2 333.436 1.491 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000353436308 445601410 /nfs/dbraw/zinc/60/14/10/445601410.db2.gz XVFZSDBKJALVFD-UKRRQHHQSA-N 1 2 333.436 1.491 20 30 EDEDLO Cn1ccnc1CN1C[C@H](F)C[C@H]1C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356399834 445772712 /nfs/dbraw/zinc/77/27/12/445772712.db2.gz UHFHXNVMHAJTPL-OCCSQVGLSA-N 1 2 348.451 1.793 20 30 EDEDLO Cn1ccnc1CN1C[C@H](F)C[C@H]1C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356399834 445772718 /nfs/dbraw/zinc/77/27/18/445772718.db2.gz UHFHXNVMHAJTPL-OCCSQVGLSA-N 1 2 348.451 1.793 20 30 EDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000356328357 445737481 /nfs/dbraw/zinc/73/74/81/445737481.db2.gz HSXKPHDWMNIEKD-KRWDZBQOSA-N 1 2 345.443 1.253 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000361115456 445749311 /nfs/dbraw/zinc/74/93/11/445749311.db2.gz KUNMIQCUSIQDOX-LSDHHAIUSA-N 1 2 335.835 1.846 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000361115456 445749316 /nfs/dbraw/zinc/74/93/16/445749316.db2.gz KUNMIQCUSIQDOX-LSDHHAIUSA-N 1 2 335.835 1.846 20 30 EDEDLO N#Cc1cnc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000356598481 445878965 /nfs/dbraw/zinc/87/89/65/445878965.db2.gz NZEDUMQJBWBASA-ZDUSSCGKSA-N 1 2 334.807 1.543 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC000364588364 445933984 /nfs/dbraw/zinc/93/39/84/445933984.db2.gz IQZXFUIHPZJZQY-IBGZPJMESA-N 1 2 330.428 1.929 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC000364588364 445933989 /nfs/dbraw/zinc/93/39/89/445933989.db2.gz IQZXFUIHPZJZQY-IBGZPJMESA-N 1 2 330.428 1.929 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)cc1 ZINC000369062037 445903039 /nfs/dbraw/zinc/90/30/39/445903039.db2.gz GJYZBWFWDFEPIJ-MRXNPFEDSA-N 1 2 326.400 1.487 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)C3CCC3)C2)cc1 ZINC000369062037 445903048 /nfs/dbraw/zinc/90/30/48/445903048.db2.gz GJYZBWFWDFEPIJ-MRXNPFEDSA-N 1 2 326.400 1.487 20 30 EDEDLO N#Cc1ccc(CN2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2=O)cc1 ZINC000369092581 445925212 /nfs/dbraw/zinc/92/52/12/445925212.db2.gz PUFSQOGJTMVZOG-UHFFFAOYSA-N 1 2 337.383 1.085 20 30 EDEDLO N#Cc1ccc(CN2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2=O)cc1 ZINC000369092581 445925215 /nfs/dbraw/zinc/92/52/15/445925215.db2.gz PUFSQOGJTMVZOG-UHFFFAOYSA-N 1 2 337.383 1.085 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)cn1 ZINC000361821928 445978157 /nfs/dbraw/zinc/97/81/57/445978157.db2.gz YWLLCMUMILGAGC-UHFFFAOYSA-N 1 2 339.380 1.822 20 30 EDEDLO C=CCC1(c2nc(CC(=O)NCC[NH+]3CCOCC3)no2)CCCC1 ZINC000351090290 445988393 /nfs/dbraw/zinc/98/83/93/445988393.db2.gz AWKRHRIVYSXGPZ-UHFFFAOYSA-N 1 2 348.447 1.448 20 30 EDEDLO CCN1CCO[C@@H](C[NH+]2CCN(c3c(C#N)cccc3C#N)CC2)C1 ZINC000373049916 445994678 /nfs/dbraw/zinc/99/46/78/445994678.db2.gz SOEJPSVZOVRYPS-GOSISDBHSA-N 1 2 339.443 1.273 20 30 EDEDLO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000583789095 326138475 /nfs/dbraw/zinc/13/84/75/326138475.db2.gz VTGCAFYGWQUBDE-LJQANCHMSA-N 1 2 349.438 1.905 20 30 EDEDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C2 ZINC000369313320 446067513 /nfs/dbraw/zinc/06/75/13/446067513.db2.gz ZFFYSOJOFAOGNX-IAGOWNOFSA-N 1 2 333.395 1.877 20 30 EDEDLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)nn1-c1cccc(C#N)c1 ZINC000359474902 446245761 /nfs/dbraw/zinc/24/57/61/446245761.db2.gz HOKDKLQMYYOZLZ-UHFFFAOYSA-N 1 2 332.367 1.905 20 30 EDEDLO C=CCNC(=O)CNC(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000366674740 446305004 /nfs/dbraw/zinc/30/50/04/446305004.db2.gz HFMNHUXYKSHQHX-UHFFFAOYSA-N 1 2 327.388 1.189 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365709021 446309614 /nfs/dbraw/zinc/30/96/14/446309614.db2.gz BQWFAENJUGEDCC-OAHLLOKOSA-N 1 2 336.395 1.746 20 30 EDEDLO N#Cc1cnn(-c2ccc(C(=O)N3CCn4c[nH+]cc4C3)cc2)c1N ZINC000365793292 446346401 /nfs/dbraw/zinc/34/64/01/446346401.db2.gz HPQFNCRCAMAJQC-UHFFFAOYSA-N 1 2 333.355 1.179 20 30 EDEDLO C#CCNC(=O)c1ccc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)nc1 ZINC000367263961 446529011 /nfs/dbraw/zinc/52/90/11/446529011.db2.gz XGEAXZJOETXPJU-MRXNPFEDSA-N 1 2 335.411 1.921 20 30 EDEDLO CCN1CCN(C(=O)COc2ccc(C#N)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433118508 446534204 /nfs/dbraw/zinc/53/42/04/446534204.db2.gz XESQQQZTVLZNRZ-MRXNPFEDSA-N 1 2 339.399 1.566 20 30 EDEDLO CC(C)OC[C@@H](CO)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000433158177 446540042 /nfs/dbraw/zinc/54/00/42/446540042.db2.gz IUJQODUWENCLGC-QGZVFWFLSA-N 1 2 333.432 1.651 20 30 EDEDLO CC(C)OC[C@@H](CO)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000433158177 446540046 /nfs/dbraw/zinc/54/00/46/446540046.db2.gz IUJQODUWENCLGC-QGZVFWFLSA-N 1 2 333.432 1.651 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000367848460 446599275 /nfs/dbraw/zinc/59/92/75/446599275.db2.gz LJQGDKHUSPJOQJ-MOPGFXCFSA-N 1 2 341.455 1.737 20 30 EDEDLO CCCN(CCC)S(=O)(=O)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411629803 446628760 /nfs/dbraw/zinc/62/87/60/446628760.db2.gz CXESHKHXBCUENL-OAHLLOKOSA-N 1 2 330.498 1.663 20 30 EDEDLO C=CCCOCCNC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000435310936 446686359 /nfs/dbraw/zinc/68/63/59/446686359.db2.gz PZVUMACPVMZNNX-INIZCTEOSA-N 1 2 325.453 1.331 20 30 EDEDLO C=CCCOCCNC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000435310936 446686364 /nfs/dbraw/zinc/68/63/64/446686364.db2.gz PZVUMACPVMZNNX-INIZCTEOSA-N 1 2 325.453 1.331 20 30 EDEDLO N#Cc1ccc2ncc(C[NH2+][C@H]3CS(=O)(=O)c4ccccc43)n2c1 ZINC000375269021 446683887 /nfs/dbraw/zinc/68/38/87/446683887.db2.gz OZXKOZBNLVQFQE-HNNXBMFYSA-N 1 2 338.392 1.824 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN[C@H]3CS(=O)(=O)c4ccccc43)n2c1 ZINC000375269021 446683891 /nfs/dbraw/zinc/68/38/91/446683891.db2.gz OZXKOZBNLVQFQE-HNNXBMFYSA-N 1 2 338.392 1.824 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000368266047 446748732 /nfs/dbraw/zinc/74/87/32/446748732.db2.gz RZQCBWUWCHOQMR-HNNXBMFYSA-N 1 2 330.413 1.475 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000368266047 446748737 /nfs/dbraw/zinc/74/87/37/446748737.db2.gz RZQCBWUWCHOQMR-HNNXBMFYSA-N 1 2 330.413 1.475 20 30 EDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000371333473 446782558 /nfs/dbraw/zinc/78/25/58/446782558.db2.gz AVNSXYPITSJBOT-KRWDZBQOSA-N 1 2 346.406 1.067 20 30 EDEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000371333473 446782564 /nfs/dbraw/zinc/78/25/64/446782564.db2.gz AVNSXYPITSJBOT-KRWDZBQOSA-N 1 2 346.406 1.067 20 30 EDEDLO CNC(=O)NC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000412053295 446817415 /nfs/dbraw/zinc/81/74/15/446817415.db2.gz HSPWCOUIMCODHL-UHFFFAOYSA-N 1 2 349.822 1.544 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000371478557 446882887 /nfs/dbraw/zinc/88/28/87/446882887.db2.gz YAPFOARJNOGJFK-BEFAXECRSA-N 1 2 327.428 1.522 20 30 EDEDLO CC[C@@H](C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1)OC ZINC000419195959 447005416 /nfs/dbraw/zinc/00/54/16/447005416.db2.gz YZYRNBOKIXROPM-HNNXBMFYSA-N 1 2 337.445 1.290 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000421044591 447008378 /nfs/dbraw/zinc/00/83/78/447008378.db2.gz SOBDFJSZZAYRTI-DOTOQJQBSA-N 1 2 348.491 1.765 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000421044591 447008385 /nfs/dbraw/zinc/00/83/85/447008385.db2.gz SOBDFJSZZAYRTI-DOTOQJQBSA-N 1 2 348.491 1.765 20 30 EDEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 ZINC000425198279 447057229 /nfs/dbraw/zinc/05/72/29/447057229.db2.gz CYHDTWFVGDRLSJ-UHFFFAOYSA-N 1 2 329.466 1.053 20 30 EDEDLO C=CC(C)(C)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000455363971 447116847 /nfs/dbraw/zinc/11/68/47/447116847.db2.gz ILSWCOCXOPMUMK-HNNXBMFYSA-N 1 2 336.480 1.537 20 30 EDEDLO N#CC1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000425407146 447148263 /nfs/dbraw/zinc/14/82/63/447148263.db2.gz VDAXMOUGQMGZQH-UHFFFAOYSA-N 1 2 340.427 1.093 20 30 EDEDLO CN1CC[NH+](C[C@@H]2CN(C(=O)Nc3cccc(C#N)c3)CCO2)CC1 ZINC000377620309 447248305 /nfs/dbraw/zinc/24/83/05/447248305.db2.gz DDDPBMMYDDZIGM-QGZVFWFLSA-N 1 2 343.431 1.038 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369046148 447284093 /nfs/dbraw/zinc/28/40/93/447284093.db2.gz DLGCSKBDJMFPAS-PXAZEXFGSA-N 1 2 328.372 1.460 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369046148 447284104 /nfs/dbraw/zinc/28/41/04/447284104.db2.gz DLGCSKBDJMFPAS-PXAZEXFGSA-N 1 2 328.372 1.460 20 30 EDEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000456004053 447283257 /nfs/dbraw/zinc/28/32/57/447283257.db2.gz WPKIPLAUKQWPGP-QGZVFWFLSA-N 1 2 326.444 1.243 20 30 EDEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000392850225 447528424 /nfs/dbraw/zinc/52/84/24/447528424.db2.gz QEBSFYLPKRZOIO-HUUCEWRRSA-N 1 2 327.388 1.264 20 30 EDEDLO Cn1cnnc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000392850225 447528426 /nfs/dbraw/zinc/52/84/26/447528426.db2.gz QEBSFYLPKRZOIO-HUUCEWRRSA-N 1 2 327.388 1.264 20 30 EDEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000408396993 447657755 /nfs/dbraw/zinc/65/77/55/447657755.db2.gz WDPNRHPWPOMBHH-GJZGRUSLSA-N 1 2 343.493 1.177 20 30 EDEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000408396993 447657761 /nfs/dbraw/zinc/65/77/61/447657761.db2.gz WDPNRHPWPOMBHH-GJZGRUSLSA-N 1 2 343.493 1.177 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416693876 447675234 /nfs/dbraw/zinc/67/52/34/447675234.db2.gz TVBLSXRVDKSIPI-KBXCAEBGSA-N 1 2 342.443 1.956 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416693876 447675238 /nfs/dbraw/zinc/67/52/38/447675238.db2.gz TVBLSXRVDKSIPI-KBXCAEBGSA-N 1 2 342.443 1.956 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](CCOC)Cc1c(C)nn(C)c1C ZINC000459577794 447712163 /nfs/dbraw/zinc/71/21/63/447712163.db2.gz WLIWEMGOUWRWKO-UHFFFAOYSA-N 1 2 335.452 1.248 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](CCOC)Cc1c(C)nn(C)c1C ZINC000459577794 447712168 /nfs/dbraw/zinc/71/21/68/447712168.db2.gz WLIWEMGOUWRWKO-UHFFFAOYSA-N 1 2 335.452 1.248 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451264399 447718293 /nfs/dbraw/zinc/71/82/93/447718293.db2.gz MYTPQLRUHJPAIB-SUMDDJOVSA-N 1 2 347.434 1.795 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451264399 447718297 /nfs/dbraw/zinc/71/82/97/447718297.db2.gz MYTPQLRUHJPAIB-SUMDDJOVSA-N 1 2 347.434 1.795 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000410690440 447722005 /nfs/dbraw/zinc/72/20/05/447722005.db2.gz SJWWAWFELHNQEF-HNNXBMFYSA-N 1 2 332.448 1.626 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)CC(C)(C)CC#N ZINC000451530660 447736965 /nfs/dbraw/zinc/73/69/65/447736965.db2.gz IHJMGWGOUOWPGZ-KGLIPLIRSA-N 1 2 329.466 1.051 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000451703889 447747735 /nfs/dbraw/zinc/74/77/35/447747735.db2.gz FQBKUKWGYKBLRC-MRXNPFEDSA-N 1 2 326.462 1.088 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000451703889 447747737 /nfs/dbraw/zinc/74/77/37/447747737.db2.gz FQBKUKWGYKBLRC-MRXNPFEDSA-N 1 2 326.462 1.088 20 30 EDEDLO COC(=O)C[C@@](C)([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1ccccn1 ZINC000429684057 447755420 /nfs/dbraw/zinc/75/54/20/447755420.db2.gz SCRGSCXBVYCKAC-MSOLQXFVSA-N 1 2 346.431 1.504 20 30 EDEDLO COCc1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)o1 ZINC000471816884 447814274 /nfs/dbraw/zinc/81/42/74/447814274.db2.gz QHEDJQKQVAQWCX-UHFFFAOYSA-N 1 2 329.404 1.662 20 30 EDEDLO Cc1ncc(S(=O)(=O)N(C)c2ccc[nH+]c2N(C)C)cc1C#N ZINC000489584485 447865573 /nfs/dbraw/zinc/86/55/73/447865573.db2.gz YWWXENJHODWBHY-UHFFFAOYSA-N 1 2 331.401 1.548 20 30 EDEDLO C=CCNC(=O)c1ccc(N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000530375246 447873235 /nfs/dbraw/zinc/87/32/35/447873235.db2.gz GPFBRBXAVGYHLQ-OAHLLOKOSA-N 1 2 340.431 1.604 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000490872471 447903252 /nfs/dbraw/zinc/90/32/52/447903252.db2.gz FQVPMIVGPFYTFZ-INIZCTEOSA-N 1 2 335.425 1.486 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000490872471 447903257 /nfs/dbraw/zinc/90/32/57/447903257.db2.gz FQVPMIVGPFYTFZ-INIZCTEOSA-N 1 2 335.425 1.486 20 30 EDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000570137211 447949702 /nfs/dbraw/zinc/94/97/02/447949702.db2.gz IONLMZNFZUSAMY-AWEZNQCLSA-N 1 2 347.382 1.845 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000491106677 447926269 /nfs/dbraw/zinc/92/62/69/447926269.db2.gz YSJCEHZFWVIPTB-UHFFFAOYSA-N 1 2 335.354 1.365 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CCCC)n2C[C@@H]2CCOC2)CC1 ZINC000491118244 447927634 /nfs/dbraw/zinc/92/76/34/447927634.db2.gz BMUUZYONLWGINF-INIZCTEOSA-N 1 2 331.464 1.412 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC000491122602 447931728 /nfs/dbraw/zinc/93/17/28/447931728.db2.gz WXJADEQUXPXGFT-OFLPRAFFSA-N 1 2 331.460 1.096 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC000491122602 447931735 /nfs/dbraw/zinc/93/17/35/447931735.db2.gz WXJADEQUXPXGFT-OFLPRAFFSA-N 1 2 331.460 1.096 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000491127211 447934355 /nfs/dbraw/zinc/93/43/55/447934355.db2.gz VRAYBWUGIMNGAF-UHFFFAOYSA-N 1 2 337.826 1.389 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000491127211 447934358 /nfs/dbraw/zinc/93/43/58/447934358.db2.gz VRAYBWUGIMNGAF-UHFFFAOYSA-N 1 2 337.826 1.389 20 30 EDEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000496869666 447986612 /nfs/dbraw/zinc/98/66/12/447986612.db2.gz DXIRVEBQLTZDTM-CQSZACIVSA-N 1 2 336.436 1.538 20 30 EDEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000496869666 447986619 /nfs/dbraw/zinc/98/66/19/447986619.db2.gz DXIRVEBQLTZDTM-CQSZACIVSA-N 1 2 336.436 1.538 20 30 EDEDLO C#C[C@H](CCC)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000491314040 447990520 /nfs/dbraw/zinc/99/05/20/447990520.db2.gz CIVNBLBNNSEJEO-MRXNPFEDSA-N 1 2 343.427 1.375 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000491656464 448074485 /nfs/dbraw/zinc/07/44/85/448074485.db2.gz SPQDQLXQMFVRDW-BZNIZROVSA-N 1 2 330.344 1.273 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000491656464 448074489 /nfs/dbraw/zinc/07/44/89/448074489.db2.gz SPQDQLXQMFVRDW-BZNIZROVSA-N 1 2 330.344 1.273 20 30 EDEDLO C#C[C@H](CCC)NC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000491736520 448092998 /nfs/dbraw/zinc/09/29/98/448092998.db2.gz NKILZKOGDRJBNR-KLHKWILBSA-N 1 2 337.464 1.357 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000531949605 448175064 /nfs/dbraw/zinc/17/50/64/448175064.db2.gz CDTOVTKXDBZMNB-ROUUACIJSA-N 1 2 341.455 1.899 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000531949605 448175070 /nfs/dbraw/zinc/17/50/70/448175070.db2.gz CDTOVTKXDBZMNB-ROUUACIJSA-N 1 2 341.455 1.899 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000558651939 448200153 /nfs/dbraw/zinc/20/01/53/448200153.db2.gz PLSONGQFRRGXFF-OAHLLOKOSA-N 1 2 338.415 1.934 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000527294882 448203697 /nfs/dbraw/zinc/20/36/97/448203697.db2.gz WWPHICGYXCUIFZ-AWEZNQCLSA-N 1 2 332.473 1.817 20 30 EDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000563976481 448319692 /nfs/dbraw/zinc/31/96/92/448319692.db2.gz WHNLYWJARKFAEP-UHFFFAOYSA-N 1 2 341.371 1.689 20 30 EDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000563976481 448319696 /nfs/dbraw/zinc/31/96/96/448319696.db2.gz WHNLYWJARKFAEP-UHFFFAOYSA-N 1 2 341.371 1.689 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000565052306 448353297 /nfs/dbraw/zinc/35/32/97/448353297.db2.gz XIYCRGSHGOBPGX-MRXNPFEDSA-N 1 2 342.359 1.354 20 30 EDEDLO COc1ccc(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(OC)c1OC ZINC000565895295 448384382 /nfs/dbraw/zinc/38/43/82/448384382.db2.gz QUAXMHSXBVQHLU-SFHVURJKSA-N 1 2 349.431 1.605 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC3(C#N)CC3)c[nH+]2)CCO1 ZINC000583001329 448399261 /nfs/dbraw/zinc/39/92/61/448399261.db2.gz NQBLGOKSDBQUDY-CYBMUJFWSA-N 1 2 329.404 1.410 20 30 EDEDLO COc1ccc(C[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000566308580 448442128 /nfs/dbraw/zinc/44/21/28/448442128.db2.gz IZACYRIKGKQRQR-ACJLOTCBSA-N 1 2 333.432 1.842 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000534829819 448469058 /nfs/dbraw/zinc/46/90/58/448469058.db2.gz ZUNCLEHYXAEIMW-OAHLLOKOSA-N 1 2 327.432 1.463 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000584354114 448496359 /nfs/dbraw/zinc/49/63/59/448496359.db2.gz CDQXFMYVQQIWEX-CQSZACIVSA-N 1 2 339.321 1.927 20 30 EDEDLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000528536852 448574994 /nfs/dbraw/zinc/57/49/94/448574994.db2.gz KRFRHXBLTSUMLQ-UHFFFAOYSA-N 1 2 349.456 1.434 20 30 EDEDLO C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000537011805 448549966 /nfs/dbraw/zinc/54/99/66/448549966.db2.gz PQBKNAGNNMLDRS-KBPBESRZSA-N 1 2 344.415 1.294 20 30 EDEDLO COc1cc[nH+]c(CN2CCN(c3cnccc3C#N)CC2)c1OC ZINC000578834039 448644511 /nfs/dbraw/zinc/64/45/11/448644511.db2.gz FSDZACFVWORHCF-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO COc1ccc(C)cc1-n1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)n1 ZINC000573539012 448650896 /nfs/dbraw/zinc/65/08/96/448650896.db2.gz RKXLJFGRRZRSJW-SFHVURJKSA-N 1 2 341.415 1.763 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148975 448709163 /nfs/dbraw/zinc/70/91/63/448709163.db2.gz GGIVIJRNKHQADN-NRLXWARBSA-N 1 2 332.448 1.656 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148975 448709168 /nfs/dbraw/zinc/70/91/68/448709168.db2.gz GGIVIJRNKHQADN-NRLXWARBSA-N 1 2 332.448 1.656 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000592152320 448713907 /nfs/dbraw/zinc/71/39/07/448713907.db2.gz XLHIXPBDKKKROZ-GDBMZVCRSA-N 1 2 337.782 1.935 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000592152320 448713913 /nfs/dbraw/zinc/71/39/13/448713913.db2.gz XLHIXPBDKKKROZ-GDBMZVCRSA-N 1 2 337.782 1.935 20 30 EDEDLO CCC(C#N)(CC)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000528810015 448684689 /nfs/dbraw/zinc/68/46/89/448684689.db2.gz HERFSAGTZQRHOF-OAHLLOKOSA-N 1 2 334.464 1.471 20 30 EDEDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000585713362 448747264 /nfs/dbraw/zinc/74/72/64/448747264.db2.gz KUKVXITVXGXNNG-ZDUSSCGKSA-N 1 2 337.383 1.283 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000519667889 448815056 /nfs/dbraw/zinc/81/50/56/448815056.db2.gz MJPGABDAZPGQQJ-CYBMUJFWSA-N 1 2 331.395 1.294 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC#Cc2ccccc2)c1=O ZINC000579496491 448809431 /nfs/dbraw/zinc/80/94/31/448809431.db2.gz IOWIMAOSMSTREU-UHFFFAOYSA-N 1 2 333.391 1.604 20 30 EDEDLO COCc1ccc(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1C#N ZINC000529212833 448792491 /nfs/dbraw/zinc/79/24/91/448792491.db2.gz LDVQBVKYQDISJV-CYBMUJFWSA-N 1 2 332.404 1.547 20 30 EDEDLO COCc1ccc(NC(=O)NCC[N@H+]2CCOC[C@H]2C)cc1C#N ZINC000529212833 448792495 /nfs/dbraw/zinc/79/24/95/448792495.db2.gz LDVQBVKYQDISJV-CYBMUJFWSA-N 1 2 332.404 1.547 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000567995607 448795590 /nfs/dbraw/zinc/79/55/90/448795590.db2.gz PVCSLCYKSGIHIM-KRWDZBQOSA-N 1 2 334.395 1.296 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000567995608 448795769 /nfs/dbraw/zinc/79/57/69/448795769.db2.gz PVCSLCYKSGIHIM-QGZVFWFLSA-N 1 2 334.395 1.296 20 30 EDEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC1(C#N)CC1 ZINC000568713587 448907743 /nfs/dbraw/zinc/90/77/43/448907743.db2.gz FHCVKMQQRASRPK-UHFFFAOYSA-N 1 2 335.429 1.055 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(CC#N)cc1 ZINC000529751278 448947070 /nfs/dbraw/zinc/94/70/70/448947070.db2.gz ISCZYHGUNRWMBR-LJQANCHMSA-N 1 2 343.427 1.098 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(CC#N)cc1 ZINC000529751278 448947072 /nfs/dbraw/zinc/94/70/72/448947072.db2.gz ISCZYHGUNRWMBR-LJQANCHMSA-N 1 2 343.427 1.098 20 30 EDEDLO C[N@H+](CCOC(C)(C)C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588962035 448953723 /nfs/dbraw/zinc/95/37/23/448953723.db2.gz PBPZXGFRTWRNPP-UHFFFAOYSA-N 1 2 325.434 1.474 20 30 EDEDLO C[N@@H+](CCOC(C)(C)C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588962035 448953725 /nfs/dbraw/zinc/95/37/25/448953725.db2.gz PBPZXGFRTWRNPP-UHFFFAOYSA-N 1 2 325.434 1.474 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000581141558 448967946 /nfs/dbraw/zinc/96/79/46/448967946.db2.gz YURBTBXDZYNHFX-DOMZBBRYSA-N 1 2 334.395 1.401 20 30 EDEDLO N#CC1(NC(=O)CN2CCC[C@H]([NH+]3CCOCC3)C2)CCCCC1 ZINC000521365952 448974509 /nfs/dbraw/zinc/97/45/09/448974509.db2.gz FSJPPHMOUYSBHH-INIZCTEOSA-N 1 2 334.464 1.126 20 30 EDEDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[NH2+][C@@H]3CCC[C@H]3C#N)n12 ZINC000589163648 448980264 /nfs/dbraw/zinc/98/02/64/448980264.db2.gz AOCXXTPKCZJWJU-GXTWGEPZSA-N 1 2 336.399 1.672 20 30 EDEDLO Cn1ccnc1[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000521614570 449001461 /nfs/dbraw/zinc/00/14/61/449001461.db2.gz VZHHEJHWHPWMTG-INIZCTEOSA-N 1 2 344.440 1.806 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000582143656 449021950 /nfs/dbraw/zinc/02/19/50/449021950.db2.gz DWRNERHFNQLZNO-HNNXBMFYSA-N 1 2 331.420 1.627 20 30 EDEDLO N#CCC1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000589485423 449022997 /nfs/dbraw/zinc/02/29/97/449022997.db2.gz MBUDPHHPRLJRIW-UHFFFAOYSA-N 1 2 328.416 1.680 20 30 EDEDLO CCc1nn(C)cc1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000589520496 449029792 /nfs/dbraw/zinc/02/97/92/449029792.db2.gz BJSWCXARTJDOFB-UHFFFAOYSA-N 1 2 330.461 1.941 20 30 EDEDLO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595613866 449080313 /nfs/dbraw/zinc/08/03/13/449080313.db2.gz FMGQJPQTLJJPRR-KBPBESRZSA-N 1 2 328.416 1.999 20 30 EDEDLO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595613866 449080318 /nfs/dbraw/zinc/08/03/18/449080318.db2.gz FMGQJPQTLJJPRR-KBPBESRZSA-N 1 2 328.416 1.999 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000548758566 449095559 /nfs/dbraw/zinc/09/55/59/449095559.db2.gz UKEIWVJHYUIMSN-OAHLLOKOSA-N 1 2 347.444 1.579 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1nc(-c2ccccn2)no1 ZINC000593155501 449154613 /nfs/dbraw/zinc/15/46/13/449154613.db2.gz WUQDEYQYXZEZIH-INIZCTEOSA-N 1 2 328.376 1.024 20 30 EDEDLO Cc1nc2ccnn2c(C)c1CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000593155374 449154807 /nfs/dbraw/zinc/15/48/07/449154807.db2.gz RNUPDXBZGUYUKP-QGZVFWFLSA-N 1 2 328.420 1.239 20 30 EDEDLO CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611174147 449199629 /nfs/dbraw/zinc/19/96/29/449199629.db2.gz XGGQQLRAYMTTFT-HNNXBMFYSA-N 1 2 330.432 1.944 20 30 EDEDLO N#CCc1ccccc1S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000590590677 449207239 /nfs/dbraw/zinc/20/72/39/449207239.db2.gz JFDREDAQRVMDEG-OAHLLOKOSA-N 1 2 342.424 1.705 20 30 EDEDLO CC[C@H](CC#N)[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000600150520 449215765 /nfs/dbraw/zinc/21/57/65/449215765.db2.gz CPFQBWHJBGKGHB-CYBMUJFWSA-N 1 2 337.383 1.988 20 30 EDEDLO CCN(CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1)[C@@H](C)C#N ZINC000595817101 449184322 /nfs/dbraw/zinc/18/43/22/449184322.db2.gz GFJXETWFJJEQOU-INIZCTEOSA-N 1 2 344.459 1.573 20 30 EDEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611245364 449236321 /nfs/dbraw/zinc/23/63/21/449236321.db2.gz KKYDOVHEAVXXCD-NVXWUHKLSA-N 1 2 341.415 1.458 20 30 EDEDLO Cn1cnnc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611245364 449236329 /nfs/dbraw/zinc/23/63/29/449236329.db2.gz KKYDOVHEAVXXCD-NVXWUHKLSA-N 1 2 341.415 1.458 20 30 EDEDLO CN1CCCC[C@@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)C1=O ZINC000601971203 449253793 /nfs/dbraw/zinc/25/37/93/449253793.db2.gz VQUZZFDTOLQEBB-MRXNPFEDSA-N 1 2 328.416 1.117 20 30 EDEDLO CN1CCCC[C@@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C1=O ZINC000601971203 449253796 /nfs/dbraw/zinc/25/37/96/449253796.db2.gz VQUZZFDTOLQEBB-MRXNPFEDSA-N 1 2 328.416 1.117 20 30 EDEDLO C[C@H](C(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C)n1cnc(C#N)n1 ZINC000593312015 449221318 /nfs/dbraw/zinc/22/13/18/449221318.db2.gz HMTZBYGSUHNEGQ-UKRRQHHQSA-N 1 2 349.398 1.544 20 30 EDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000611539989 449329335 /nfs/dbraw/zinc/32/93/35/449329335.db2.gz NCZKUVKRILIYIC-GWCFXTLKSA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000611539989 449329337 /nfs/dbraw/zinc/32/93/37/449329337.db2.gz NCZKUVKRILIYIC-GWCFXTLKSA-N 1 2 343.836 1.209 20 30 EDEDLO Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)c3[nH+]ccn3C)CC2)o1 ZINC000598466033 449408310 /nfs/dbraw/zinc/40/83/10/449408310.db2.gz WFEUDJFDIHJYGO-LLVKDONJSA-N 1 2 342.403 1.682 20 30 EDEDLO N#CCCN1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000602206467 449432942 /nfs/dbraw/zinc/43/29/42/449432942.db2.gz MEVPSRKPFKKRDB-UHFFFAOYSA-N 1 2 337.427 1.532 20 30 EDEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000611692094 449384476 /nfs/dbraw/zinc/38/44/76/449384476.db2.gz RIWUYMYSLCCOKF-ILXRZTDVSA-N 1 2 330.432 1.565 20 30 EDEDLO CC[NH+]1CCN(CCCCNC(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000614369194 449580128 /nfs/dbraw/zinc/58/01/28/449580128.db2.gz FHFXRVLLNRFEHP-UHFFFAOYSA-N 1 2 330.432 1.411 20 30 EDEDLO N#CC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC1 ZINC000596587395 449562483 /nfs/dbraw/zinc/56/24/83/449562483.db2.gz JYKUTOCYPXMISF-SJORKVTESA-N 1 2 340.427 1.585 20 30 EDEDLO N#CC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC1 ZINC000596587395 449562492 /nfs/dbraw/zinc/56/24/92/449562492.db2.gz JYKUTOCYPXMISF-SJORKVTESA-N 1 2 340.427 1.585 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c([N+](=O)[O-])n1 ZINC000602445616 449594049 /nfs/dbraw/zinc/59/40/49/449594049.db2.gz RSBAWBMXVAGBNT-UHFFFAOYSA-N 1 2 344.350 1.661 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCC3(O)CCC3)CC2)cc1 ZINC000600945906 449607750 /nfs/dbraw/zinc/60/77/50/449607750.db2.gz PAXBJBFDVXSTKL-UHFFFAOYSA-N 1 2 327.428 1.898 20 30 EDEDLO C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000612271251 449621512 /nfs/dbraw/zinc/62/15/12/449621512.db2.gz LHSMQXOTGFQXHZ-SFHVURJKSA-N 1 2 337.383 1.963 20 30 EDEDLO C[C@H](CC#N)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000601022132 449657720 /nfs/dbraw/zinc/65/77/20/449657720.db2.gz HAGADQOWLNRWPT-CYBMUJFWSA-N 1 2 334.395 1.602 20 30 EDEDLO C[C@H]1C[N@H+](CCNS(=O)(=O)CC2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000594816924 449726121 /nfs/dbraw/zinc/72/61/21/449726121.db2.gz MEQYGLHOXJGAPQ-GJZGRUSLSA-N 1 2 343.493 1.489 20 30 EDEDLO C[C@H]1C[N@@H+](CCNS(=O)(=O)CC2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000594816924 449726125 /nfs/dbraw/zinc/72/61/25/449726125.db2.gz MEQYGLHOXJGAPQ-GJZGRUSLSA-N 1 2 343.493 1.489 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599000448 449689575 /nfs/dbraw/zinc/68/95/75/449689575.db2.gz UQPBMSPGBLPGDO-HNNXBMFYSA-N 1 2 342.443 1.541 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599000448 449689582 /nfs/dbraw/zinc/68/95/82/449689582.db2.gz UQPBMSPGBLPGDO-HNNXBMFYSA-N 1 2 342.443 1.541 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CCc2cnccn2)CC1 ZINC000601253306 449776605 /nfs/dbraw/zinc/77/66/05/449776605.db2.gz LGFOFKYFPUUHCL-UHFFFAOYSA-N 1 2 338.371 1.621 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C[C@H](C)N1CC#N ZINC000602855295 449863176 /nfs/dbraw/zinc/86/31/76/449863176.db2.gz GBMVVTLUVZSSKU-OKILXGFUSA-N 1 2 344.415 1.314 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C[C@H](C)N1CC#N ZINC000602855295 449863179 /nfs/dbraw/zinc/86/31/79/449863179.db2.gz GBMVVTLUVZSSKU-OKILXGFUSA-N 1 2 344.415 1.314 20 30 EDEDLO COc1cccc(CNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602856188 449863984 /nfs/dbraw/zinc/86/39/84/449863984.db2.gz JFARPVQJSYEOKE-HUUCEWRRSA-N 1 2 330.432 1.230 20 30 EDEDLO Cc1csc2nc(C[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)cc(=O)n12 ZINC000602860900 449869898 /nfs/dbraw/zinc/86/98/98/449869898.db2.gz JSHUHXXGTIQNFG-RYUDHWBXSA-N 1 2 331.445 1.483 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000601373997 449889027 /nfs/dbraw/zinc/88/90/27/449889027.db2.gz KNMBPOMKXLJRLN-BXUZGUMPSA-N 1 2 341.408 1.003 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000601373997 449889031 /nfs/dbraw/zinc/88/90/31/449889031.db2.gz KNMBPOMKXLJRLN-BXUZGUMPSA-N 1 2 341.408 1.003 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)[C@H](C)C1 ZINC000601413940 449930289 /nfs/dbraw/zinc/93/02/89/449930289.db2.gz LWYVNLDCWGIBJB-GFCCVEGCSA-N 1 2 325.409 1.721 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)[C@H](C)C1 ZINC000601413940 449930294 /nfs/dbraw/zinc/93/02/94/449930294.db2.gz LWYVNLDCWGIBJB-GFCCVEGCSA-N 1 2 325.409 1.721 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000601385926 449902776 /nfs/dbraw/zinc/90/27/76/449902776.db2.gz YMCLWIXMUONELA-UHFFFAOYSA-N 1 2 336.392 1.961 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602924808 449925021 /nfs/dbraw/zinc/92/50/21/449925021.db2.gz RIOCSKXXKOGJSU-HUUCEWRRSA-N 1 2 343.408 1.682 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602924808 449925028 /nfs/dbraw/zinc/92/50/28/449925028.db2.gz RIOCSKXXKOGJSU-HUUCEWRRSA-N 1 2 343.408 1.682 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CCO1 ZINC000609110390 449961355 /nfs/dbraw/zinc/96/13/55/449961355.db2.gz WPAHMGGJACHGDF-MAUKXSAKSA-N 1 2 342.443 1.364 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CCO1 ZINC000609110390 449961358 /nfs/dbraw/zinc/96/13/58/449961358.db2.gz WPAHMGGJACHGDF-MAUKXSAKSA-N 1 2 342.443 1.364 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3cnccn3)CC2)cc1 ZINC000595287673 450003878 /nfs/dbraw/zinc/00/38/78/450003878.db2.gz USLQEIIXONAWGI-UHFFFAOYSA-N 1 2 336.399 1.105 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3cc(C#N)ccn3)CC2)C[C@H](C)O1 ZINC000595290542 450005229 /nfs/dbraw/zinc/00/52/29/450005229.db2.gz LUVSTUWBQNPRLB-IYBDPMFKSA-N 1 2 329.448 1.184 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COC[C@@H]3CCOC3)CC2)cc1 ZINC000609792242 450097172 /nfs/dbraw/zinc/09/71/72/450097172.db2.gz RVJZQDFVVNEFKQ-GOSISDBHSA-N 1 2 343.427 1.256 20 30 EDEDLO C=CCCSCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601622414 450118833 /nfs/dbraw/zinc/11/88/33/450118833.db2.gz VJBVTHOYLWRNNC-UHFFFAOYSA-N 1 2 349.504 1.656 20 30 EDEDLO N#C[C@]1(F)CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000615532248 450126587 /nfs/dbraw/zinc/12/65/87/450126587.db2.gz ZCXKMNLBRBNKKR-SJLPKXTDSA-N 1 2 346.406 1.707 20 30 EDEDLO CCN1OC[C@H]([NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O ZINC000595484906 450175795 /nfs/dbraw/zinc/17/57/95/450175795.db2.gz SVCATCZIYLFKIM-HNNXBMFYSA-N 1 2 333.363 1.703 20 30 EDEDLO N#C[C@@H](CO)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000597740071 450230050 /nfs/dbraw/zinc/23/00/50/450230050.db2.gz DJBTUNZFDVLRJM-AWEZNQCLSA-N 1 2 340.383 1.157 20 30 EDEDLO COC(=O)CC1(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 ZINC000619648689 450297411 /nfs/dbraw/zinc/29/74/11/450297411.db2.gz FAYRNSAVNPGCIU-UHFFFAOYSA-N 1 2 344.415 1.889 20 30 EDEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000618830107 450315845 /nfs/dbraw/zinc/31/58/45/450315845.db2.gz QVWMLQSITMFDCZ-QGZVFWFLSA-N 1 2 340.427 1.710 20 30 EDEDLO C=CCCn1cc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)nn1 ZINC000619883129 450352413 /nfs/dbraw/zinc/35/24/13/450352413.db2.gz ZWOHBDDRWUVEFS-UHFFFAOYSA-N 1 2 333.436 1.039 20 30 EDEDLO C[C@H](CO)NC(=O)c1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000619561254 450506176 /nfs/dbraw/zinc/50/61/76/450506176.db2.gz GIDQQUGTPCDESZ-CYBMUJFWSA-N 1 2 349.394 1.929 20 30 EDEDLO C=CCOCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629437886 450685372 /nfs/dbraw/zinc/68/53/72/450685372.db2.gz ISCOPOZXJNVFGR-QGZVFWFLSA-N 1 2 333.432 1.381 20 30 EDEDLO C=CCOCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629437886 450685378 /nfs/dbraw/zinc/68/53/78/450685378.db2.gz ISCOPOZXJNVFGR-QGZVFWFLSA-N 1 2 333.432 1.381 20 30 EDEDLO C=CCC(C)(C)CNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000627519480 450789518 /nfs/dbraw/zinc/78/95/18/450789518.db2.gz XQSHKEJNJXDDQH-GJZGRUSLSA-N 1 2 348.447 1.427 20 30 EDEDLO C=CCn1cc(CNC(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)nn1 ZINC000636056754 451472887 /nfs/dbraw/zinc/47/28/87/451472887.db2.gz XDMMIADXFMBXIA-KRWDZBQOSA-N 1 2 341.415 1.363 20 30 EDEDLO C=CCn1cc(CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)nn1 ZINC000636056754 451472889 /nfs/dbraw/zinc/47/28/89/451472889.db2.gz XDMMIADXFMBXIA-KRWDZBQOSA-N 1 2 341.415 1.363 20 30 EDEDLO C=C(C)C[C@H]1NC(=O)N(CCNc2cc(C)[nH+]c(C(C)C)n2)C1=O ZINC000630986748 451525336 /nfs/dbraw/zinc/52/53/36/451525336.db2.gz RCHMVHKTDDGSCN-CYBMUJFWSA-N 1 2 331.420 2.207 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](c2ccccc2)C2CC2)nn1 ZINC000640932109 451695762 /nfs/dbraw/zinc/69/57/62/451695762.db2.gz FWUWFKIWDBKICQ-IBGZPJMESA-N 1 2 337.427 1.659 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(CC(F)(F)F)C(C)C)nn1 ZINC000640976996 451716254 /nfs/dbraw/zinc/71/62/54/451716254.db2.gz GJXHYVXBSSZLDO-UHFFFAOYSA-N 1 2 331.342 1.190 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)nn1 ZINC000653499000 451985425 /nfs/dbraw/zinc/98/54/25/451985425.db2.gz VXTYYQMVSCISIA-OAHLLOKOSA-N 1 2 341.481 1.148 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)nn1 ZINC000653499000 451985432 /nfs/dbraw/zinc/98/54/32/451985432.db2.gz VXTYYQMVSCISIA-OAHLLOKOSA-N 1 2 341.481 1.148 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)nn1 ZINC000653598159 452032568 /nfs/dbraw/zinc/03/25/68/452032568.db2.gz OGFGHNNNRQBODQ-LBPRGKRZSA-N 1 2 335.433 1.352 20 30 EDEDLO C=CCN1CC[C@H](N(C)c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1=O ZINC000663872641 452596979 /nfs/dbraw/zinc/59/69/79/452596979.db2.gz WDIBRCOOHIYQKS-AWEZNQCLSA-N 1 2 345.447 1.051 20 30 EDEDLO C=CCN1CC[C@H](N(C)c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1=O ZINC000663872641 452596986 /nfs/dbraw/zinc/59/69/86/452596986.db2.gz WDIBRCOOHIYQKS-AWEZNQCLSA-N 1 2 345.447 1.051 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000653124475 453317511 /nfs/dbraw/zinc/31/75/11/453317511.db2.gz AEOSEKROOAKTCF-OIISXLGYSA-N 1 2 330.432 1.813 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H](c2cnn(C)c2)C2(CO)CCC2)nn1 ZINC000660599627 453443678 /nfs/dbraw/zinc/44/36/78/453443678.db2.gz KYHFNEYRBCMZJV-INIZCTEOSA-N 1 2 330.436 1.581 20 30 EDEDLO C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000657036625 453638328 /nfs/dbraw/zinc/63/83/28/453638328.db2.gz KRCGJKRRIWRPKQ-CVEARBPZSA-N 1 2 330.494 1.763 20 30 EDEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@H](C)COC ZINC000661244764 453773066 /nfs/dbraw/zinc/77/30/66/453773066.db2.gz XWBLHHRXTULOAG-CQSZACIVSA-N 1 2 333.432 1.850 20 30 EDEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@H](C)COC ZINC000661244764 453773069 /nfs/dbraw/zinc/77/30/69/453773069.db2.gz XWBLHHRXTULOAG-CQSZACIVSA-N 1 2 333.432 1.850 20 30 EDEDLO COCC#CC[NH+]1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 ZINC000677132937 486982110 /nfs/dbraw/zinc/98/21/10/486982110.db2.gz AFVSPSKHGBVDPY-UHFFFAOYSA-N 1 2 330.428 1.476 20 30 EDEDLO C=CCN(C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000668158450 487123781 /nfs/dbraw/zinc/12/37/81/487123781.db2.gz SVOCGQYAXWHJHJ-AWEZNQCLSA-N 1 2 348.428 1.850 20 30 EDEDLO C=C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000674934034 487361313 /nfs/dbraw/zinc/36/13/13/487361313.db2.gz POOBNKDQXWDFJK-AWEZNQCLSA-N 1 2 331.416 1.860 20 30 EDEDLO Cc1nnc(CN2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)[nH]1 ZINC000678887766 487376170 /nfs/dbraw/zinc/37/61/70/487376170.db2.gz FLGZXZDTLRNGFY-UHFFFAOYSA-N 1 2 329.835 1.936 20 30 EDEDLO C=C[C@H](CC(=O)NCC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC000270215046 534675029 /nfs/dbraw/zinc/67/50/29/534675029.db2.gz GGCWOHZFSZGUMF-QGZVFWFLSA-N 1 2 329.444 1.627 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000102179235 527012070 /nfs/dbraw/zinc/01/20/70/527012070.db2.gz KMNQFYXQOYPTPS-UHFFFAOYSA-N 1 2 348.472 1.990 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000102179235 527012079 /nfs/dbraw/zinc/01/20/79/527012079.db2.gz KMNQFYXQOYPTPS-UHFFFAOYSA-N 1 2 348.472 1.990 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000183702169 527090166 /nfs/dbraw/zinc/09/01/66/527090166.db2.gz RMECXNJZFWHYJO-FZMZJTMJSA-N 1 2 327.375 1.804 20 30 EDEDLO CCOC(=O)[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)[C@H](C)CC ZINC000272386669 535660043 /nfs/dbraw/zinc/66/00/43/535660043.db2.gz XHHQKZVRIXIWPA-UKPHBRMFSA-N 1 2 334.416 1.865 20 30 EDEDLO C=CCNC(=O)[C@H](C)OC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000741336588 579411398 /nfs/dbraw/zinc/41/13/98/579411398.db2.gz MMWRSCQVRDJHLB-AWEZNQCLSA-N 1 2 332.400 1.366 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(-c3ccccn3)s2)CC1 ZINC000727676001 578537097 /nfs/dbraw/zinc/53/70/97/578537097.db2.gz RMVUFKDLHLKUAM-UHFFFAOYSA-N 1 2 326.425 1.986 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)NCCO)CC2)c1C ZINC000728916039 578554319 /nfs/dbraw/zinc/55/43/19/578554319.db2.gz POTYFZSVRQSSFX-UHFFFAOYSA-N 1 2 347.459 1.294 20 30 EDEDLO COc1cccc([C@@H](O)CNc2[nH+]cnc3c2cnn3CCC#N)c1 ZINC000732050832 578688687 /nfs/dbraw/zinc/68/86/87/578688687.db2.gz WGGGQHYQNJMZAE-HNNXBMFYSA-N 1 2 338.371 1.894 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812593 578731428 /nfs/dbraw/zinc/73/14/28/578731428.db2.gz FMOHJOQGQBZAFV-NEPJUHHUSA-N 1 2 348.369 1.090 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812593 578731429 /nfs/dbraw/zinc/73/14/29/578731429.db2.gz FMOHJOQGQBZAFV-NEPJUHHUSA-N 1 2 348.369 1.090 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812612 578731555 /nfs/dbraw/zinc/73/15/55/578731555.db2.gz FMOHJOQGQBZAFV-VXGBXAGGSA-N 1 2 348.369 1.090 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812612 578731557 /nfs/dbraw/zinc/73/15/57/578731557.db2.gz FMOHJOQGQBZAFV-VXGBXAGGSA-N 1 2 348.369 1.090 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CC(=O)Nc3ccc(O)cc3)CC2)n1 ZINC000760913242 580041392 /nfs/dbraw/zinc/04/13/92/580041392.db2.gz MVJFFRJVZSUCQK-UHFFFAOYSA-N 1 2 337.383 1.420 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735311451 578875290 /nfs/dbraw/zinc/87/52/90/578875290.db2.gz QEHGQFKJQJZJLO-CYBMUJFWSA-N 1 2 343.836 1.366 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735311451 578875291 /nfs/dbraw/zinc/87/52/91/578875291.db2.gz QEHGQFKJQJZJLO-CYBMUJFWSA-N 1 2 343.836 1.366 20 30 EDEDLO O=S1(=O)CC[C@@H](N[NH+]=Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000735970075 578943747 /nfs/dbraw/zinc/94/37/47/578943747.db2.gz ULOYRQSLGJORDC-SECBINFHSA-N 1 2 348.881 1.507 20 30 EDEDLO C=CCN1CC(=O)N([C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000761408521 580056833 /nfs/dbraw/zinc/05/68/33/580056833.db2.gz QTMRRUYMCFNXNZ-WBVHZDCISA-N 1 2 343.427 1.726 20 30 EDEDLO C=CCN1CC(=O)N([C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000761408521 580056834 /nfs/dbraw/zinc/05/68/34/580056834.db2.gz QTMRRUYMCFNXNZ-WBVHZDCISA-N 1 2 343.427 1.726 20 30 EDEDLO CNC(=O)C1([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)CCCC1 ZINC000744402372 579509613 /nfs/dbraw/zinc/50/96/13/579509613.db2.gz GMDNQCHRSFJIDM-UHFFFAOYSA-N 1 2 325.372 1.757 20 30 EDEDLO COc1ccc(CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1C#N ZINC000746731110 579608408 /nfs/dbraw/zinc/60/84/08/579608408.db2.gz NINNJZVDUZWGMD-KBPBESRZSA-N 1 2 346.431 1.475 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(CC)c2ccc(OCC)cc2)CC1 ZINC000748816609 579701463 /nfs/dbraw/zinc/70/14/63/579701463.db2.gz SKGWODRVVOSJJI-UHFFFAOYSA-N 1 2 329.444 1.689 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000749251450 579719241 /nfs/dbraw/zinc/71/92/41/579719241.db2.gz YUIZGGMEXIPZFP-MRXNPFEDSA-N 1 2 337.464 1.986 20 30 EDEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750502695 579767738 /nfs/dbraw/zinc/76/77/38/579767738.db2.gz MJTSCHKFPYQTMT-BBRMVZONSA-N 1 2 332.375 1.471 20 30 EDEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000750502695 579767739 /nfs/dbraw/zinc/76/77/39/579767739.db2.gz MJTSCHKFPYQTMT-BBRMVZONSA-N 1 2 332.375 1.471 20 30 EDEDLO N#CCCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000751484072 579809805 /nfs/dbraw/zinc/80/98/05/579809805.db2.gz QORIZFDVTUPHKY-UHFFFAOYSA-N 1 2 342.443 1.183 20 30 EDEDLO N#CCCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000751484072 579809806 /nfs/dbraw/zinc/80/98/06/579809806.db2.gz QORIZFDVTUPHKY-UHFFFAOYSA-N 1 2 342.443 1.183 20 30 EDEDLO CC(Cn1cc(Br)cn1)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753935731 579891609 /nfs/dbraw/zinc/89/16/09/579891609.db2.gz PGJLKLGRYCQMBC-RYUDHWBXSA-N 1 2 339.241 1.882 20 30 EDEDLO Cc1cc(C)n(C2N=NC(=S)N2N=C2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000753954831 579892302 /nfs/dbraw/zinc/89/23/02/579892302.db2.gz IHAPVTZASGMYFL-SNVBAGLBSA-N 1 2 331.449 1.830 20 30 EDEDLO Cc1cc(C)n(C2N=NC(=S)N2N=C2C[C@@H](C)[N@H+](C3CC3)C2)n1 ZINC000753954831 579892303 /nfs/dbraw/zinc/89/23/03/579892303.db2.gz IHAPVTZASGMYFL-SNVBAGLBSA-N 1 2 331.449 1.830 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000755045870 579918745 /nfs/dbraw/zinc/91/87/45/579918745.db2.gz POFTZGNAFJQROB-NVXWUHKLSA-N 1 2 329.400 1.573 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000755045870 579918746 /nfs/dbraw/zinc/91/87/46/579918746.db2.gz POFTZGNAFJQROB-NVXWUHKLSA-N 1 2 329.400 1.573 20 30 EDEDLO CCc1ccc(-c2noc([C@H](C)[NH2+]CC(=O)NCCC#N)n2)cc1 ZINC000755163281 579921615 /nfs/dbraw/zinc/92/16/15/579921615.db2.gz KMWQMRNSVFYEIA-LBPRGKRZSA-N 1 2 327.388 1.979 20 30 EDEDLO Cc1nnc(S)n(N=Cc2[nH+]c(C(C)C)n3ccccc23)c1=O ZINC000755511560 579928313 /nfs/dbraw/zinc/92/83/13/579928313.db2.gz TZLIZAYQBUXAHE-UHFFFAOYSA-N 1 2 328.401 1.889 20 30 EDEDLO Cc1cccn2c(CN=Nc3nccc(N4CCOCC4)n3)c[nH+]c12 ZINC000755772812 579934612 /nfs/dbraw/zinc/93/46/12/579934612.db2.gz LGNBQMMOVJTKED-UHFFFAOYSA-N 1 2 337.387 1.715 20 30 EDEDLO NC(=[NH+]OCC1(CO)COC1)c1ccc(OCc2cccnc2)cc1 ZINC000761849190 580062583 /nfs/dbraw/zinc/06/25/83/580062583.db2.gz KGWCJTVZWYNNOI-UHFFFAOYSA-N 1 2 343.383 1.306 20 30 EDEDLO CC(=NN1CC(=O)N(C)C1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000768381299 580211809 /nfs/dbraw/zinc/21/18/09/580211809.db2.gz YMUVJVYIODZFDQ-OAHLLOKOSA-N 1 2 330.388 1.157 20 30 EDEDLO CC(=NN1CC(=O)N(C)C1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000768381299 580211810 /nfs/dbraw/zinc/21/18/10/580211810.db2.gz YMUVJVYIODZFDQ-OAHLLOKOSA-N 1 2 330.388 1.157 20 30 EDEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCn1cc[nH+]c1 ZINC000771918449 580298503 /nfs/dbraw/zinc/29/85/03/580298503.db2.gz XQIUGMXFKIZJHB-UHFFFAOYSA-N 1 2 338.371 1.590 20 30 EDEDLO C[N@H+](CC(=O)OCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000772047418 580301609 /nfs/dbraw/zinc/30/16/09/580301609.db2.gz MOEMELUXPVXWQW-AWEZNQCLSA-N 1 2 333.413 1.477 20 30 EDEDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000772047418 580301610 /nfs/dbraw/zinc/30/16/10/580301610.db2.gz MOEMELUXPVXWQW-AWEZNQCLSA-N 1 2 333.413 1.477 20 30 EDEDLO CCS(=O)(=O)N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000775589871 580394429 /nfs/dbraw/zinc/39/44/29/580394429.db2.gz XHSKGGJFQQAMKL-UHFFFAOYSA-N 1 2 335.473 1.955 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@H]1CCCO1 ZINC000775789345 580400503 /nfs/dbraw/zinc/40/05/03/580400503.db2.gz BJSBABZSTLHHHW-HUUCEWRRSA-N 1 2 338.429 1.335 20 30 EDEDLO C#CCOc1cccc(Cl)c1CN1CC[NH+](CC(=O)NCC)CC1 ZINC000779154573 580480360 /nfs/dbraw/zinc/48/03/60/580480360.db2.gz XNRMCBBSERFFAP-UHFFFAOYSA-N 1 2 349.862 1.606 20 30 EDEDLO CC1(C#N)CC[NH+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC1 ZINC000779879197 580500779 /nfs/dbraw/zinc/50/07/79/580500779.db2.gz RRYLZQIWWZQJMO-UHFFFAOYSA-N 1 2 346.412 1.622 20 30 EDEDLO N#CCCNC(=O)CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000781353051 580547312 /nfs/dbraw/zinc/54/73/12/580547312.db2.gz YKUIZZVNGTXIGO-UHFFFAOYSA-N 1 2 327.363 1.399 20 30 EDEDLO C#CCOCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000784168684 580614709 /nfs/dbraw/zinc/61/47/09/580614709.db2.gz ZSMOXCVRSXNQGT-CQSZACIVSA-N 1 2 337.445 1.070 20 30 EDEDLO N#C[C@@H](C(=O)C[N@@H+](CCO)C1CCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000784390771 580620166 /nfs/dbraw/zinc/62/01/66/580620166.db2.gz CJEREDCQBKMHKJ-AWEZNQCLSA-N 1 2 340.383 1.358 20 30 EDEDLO N#C[C@@H](C(=O)C[N@H+](CCO)C1CCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000784390771 580620167 /nfs/dbraw/zinc/62/01/67/580620167.db2.gz CJEREDCQBKMHKJ-AWEZNQCLSA-N 1 2 340.383 1.358 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2ccc(F)c(F)c2)n1 ZINC000789323531 580742191 /nfs/dbraw/zinc/74/21/91/580742191.db2.gz LMRAYCJTYGDHAQ-GOSISDBHSA-N 1 2 349.381 1.977 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2ccc(F)c(F)c2)n1 ZINC000789323531 580742192 /nfs/dbraw/zinc/74/21/92/580742192.db2.gz LMRAYCJTYGDHAQ-GOSISDBHSA-N 1 2 349.381 1.977 20 30 EDEDLO C[N@H+](CCCCCO)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000789340217 580742770 /nfs/dbraw/zinc/74/27/70/580742770.db2.gz LMBHYQLIQZLHTQ-AWEZNQCLSA-N 1 2 342.399 1.606 20 30 EDEDLO C[N@@H+](CCCCCO)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000789340217 580742771 /nfs/dbraw/zinc/74/27/71/580742771.db2.gz LMBHYQLIQZLHTQ-AWEZNQCLSA-N 1 2 342.399 1.606 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)c(F)c1 ZINC000789600925 580750308 /nfs/dbraw/zinc/75/03/08/580750308.db2.gz INYHUBWCXXYGSJ-UHFFFAOYSA-N 1 2 349.713 1.004 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(OC)ccc2O)n1 ZINC000789760968 580752957 /nfs/dbraw/zinc/75/29/57/580752957.db2.gz RXGAFFLZINOPTN-UHFFFAOYSA-N 1 2 329.400 1.879 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(OC)ccc2O)n1 ZINC000789760968 580752958 /nfs/dbraw/zinc/75/29/58/580752958.db2.gz RXGAFFLZINOPTN-UHFFFAOYSA-N 1 2 329.400 1.879 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789771061 580753145 /nfs/dbraw/zinc/75/31/45/580753145.db2.gz USTIPTJPNPIPCC-QGZVFWFLSA-N 1 2 347.802 1.526 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789771061 580753146 /nfs/dbraw/zinc/75/31/46/580753146.db2.gz USTIPTJPNPIPCC-QGZVFWFLSA-N 1 2 347.802 1.526 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000789918767 580756936 /nfs/dbraw/zinc/75/69/36/580756936.db2.gz ADELGHCEMUZKCK-UHFFFAOYSA-N 1 2 334.379 1.994 20 30 EDEDLO CC(=O)NC[C@@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793490535 580845585 /nfs/dbraw/zinc/84/55/85/580845585.db2.gz KULAACNBBVPLJR-HNNXBMFYSA-N 1 2 342.443 1.404 20 30 EDEDLO CC(=O)NC[C@@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793490535 580845586 /nfs/dbraw/zinc/84/55/86/580845586.db2.gz KULAACNBBVPLJR-HNNXBMFYSA-N 1 2 342.443 1.404 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000793492209 580845681 /nfs/dbraw/zinc/84/56/81/580845681.db2.gz BFXBIVVPQJJFHB-HOTGVXAUSA-N 1 2 349.475 1.799 20 30 EDEDLO Cc1ccc(O)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 ZINC000798274518 580992758 /nfs/dbraw/zinc/99/27/58/580992758.db2.gz GEELNAWKRKPOET-GXTWGEPZSA-N 1 2 332.404 1.944 20 30 EDEDLO N#Cc1cccc(-n2ccc(C(=O)OCC[NH+]3CCOCC3)n2)c1 ZINC000798799704 581009168 /nfs/dbraw/zinc/00/91/68/581009168.db2.gz XOCFUEPVWJQESU-UHFFFAOYSA-N 1 2 326.356 1.233 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@](C)(c3ccccn3)CC2=O)C1=O ZINC000799143659 581018677 /nfs/dbraw/zinc/01/86/77/581018677.db2.gz NKEFKPOKGLFROB-HNAYVOBHSA-N 1 2 342.443 1.248 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@](C)(c3ccccn3)CC2=O)C1=O ZINC000799143659 581018678 /nfs/dbraw/zinc/01/86/78/581018678.db2.gz NKEFKPOKGLFROB-HNAYVOBHSA-N 1 2 342.443 1.248 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2S[C@@H](C)C(N)=O)CC1 ZINC000801089061 581065305 /nfs/dbraw/zinc/06/53/05/581065305.db2.gz AWFXSZPAVXOAIS-ZDUSSCGKSA-N 1 2 331.441 1.044 20 30 EDEDLO C[C@@H](C#N)OCCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000801657429 581081965 /nfs/dbraw/zinc/08/19/65/581081965.db2.gz KBSTVROHHITTAA-GOEBONIOSA-N 1 2 342.403 1.175 20 30 EDEDLO C[C@@H](C#N)OCCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000801657429 581081966 /nfs/dbraw/zinc/08/19/66/581081966.db2.gz KBSTVROHHITTAA-GOEBONIOSA-N 1 2 342.403 1.175 20 30 EDEDLO C[C@@H](C#N)OCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000801861763 581086689 /nfs/dbraw/zinc/08/66/89/581086689.db2.gz KHVBAEARWPCJTB-NSHDSACASA-N 1 2 330.300 1.866 20 30 EDEDLO COc1ccc(OC)c(C[NH+]2CCN(CCO[C@@H](C)C#N)CC2)c1 ZINC000801912041 581087675 /nfs/dbraw/zinc/08/76/75/581087675.db2.gz GOXSSWFISDZUBE-HNNXBMFYSA-N 1 2 333.432 1.750 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000895917629 591303916 /nfs/dbraw/zinc/30/39/16/591303916.db2.gz GJNIPCGUESXGNO-UHFFFAOYSA-N 1 2 333.457 1.149 20 30 EDEDLO COc1cc2c(c(C[NH+]3CCN(C(=O)CC#N)CC3)c1)O[C@H](C)C2 ZINC000895066045 591560100 /nfs/dbraw/zinc/56/01/00/591560100.db2.gz NIBHERGEGYYHNI-CYBMUJFWSA-N 1 2 329.400 1.576 20 30 EDEDLO COC[C@H](C)Oc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000895066363 591561146 /nfs/dbraw/zinc/56/11/46/591561146.db2.gz IZHTWWQQFZJQTA-HNNXBMFYSA-N 1 2 331.416 1.658 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CCO[C@H](c3ccc(C#N)cc3)C2)nc[nH+]1 ZINC000896871525 591641389 /nfs/dbraw/zinc/64/13/89/591641389.db2.gz DQCVJNUDILBDGZ-CJNGLKHVSA-N 1 2 339.399 1.719 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CCO[C@H](c3ccc(C#N)cc3)C2)[nH+]cn1 ZINC000896871525 591641392 /nfs/dbraw/zinc/64/13/92/591641392.db2.gz DQCVJNUDILBDGZ-CJNGLKHVSA-N 1 2 339.399 1.719 20 30 EDEDLO Nc1nc(N2CCC3(CC2)CC(=O)C=CO3)nc(C2CCCC2)[nH+]1 ZINC000896881899 591646035 /nfs/dbraw/zinc/64/60/35/591646035.db2.gz GFMBMLYBAIMDSE-UHFFFAOYSA-N 1 2 329.404 1.954 20 30 EDEDLO Nc1nc(C2CCCC2)[nH+]c(N2CCC3(CC2)CC(=O)C=CO3)n1 ZINC000896881899 591646037 /nfs/dbraw/zinc/64/60/37/591646037.db2.gz GFMBMLYBAIMDSE-UHFFFAOYSA-N 1 2 329.404 1.954 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC000899129959 591698704 /nfs/dbraw/zinc/69/87/04/591698704.db2.gz NQQBCHCPARGXGP-LJQANCHMSA-N 1 2 328.412 1.014 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC000899129959 591698705 /nfs/dbraw/zinc/69/87/05/591698705.db2.gz NQQBCHCPARGXGP-LJQANCHMSA-N 1 2 328.412 1.014 20 30 EDEDLO C=C(C)C[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(=O)OCC ZINC000899209644 591731760 /nfs/dbraw/zinc/73/17/60/591731760.db2.gz UIKSOFFIBJJEJU-HUUCEWRRSA-N 1 2 334.420 1.804 20 30 EDEDLO C=C(C)C[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(=O)OCC ZINC000899209644 591731762 /nfs/dbraw/zinc/73/17/62/591731762.db2.gz UIKSOFFIBJJEJU-HUUCEWRRSA-N 1 2 334.420 1.804 20 30 EDEDLO C=C(C)C[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)C(=O)OCC ZINC000899209644 591731765 /nfs/dbraw/zinc/73/17/65/591731765.db2.gz UIKSOFFIBJJEJU-HUUCEWRRSA-N 1 2 334.420 1.804 20 30 EDEDLO C=C(C)C[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)C(=O)OCC ZINC000899209644 591731768 /nfs/dbraw/zinc/73/17/68/591731768.db2.gz UIKSOFFIBJJEJU-HUUCEWRRSA-N 1 2 334.420 1.804 20 30 EDEDLO C#CCSCC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000895454299 591766222 /nfs/dbraw/zinc/76/62/22/591766222.db2.gz JBWZYXPVVJDTIP-UHFFFAOYSA-N 1 2 348.468 1.714 20 30 EDEDLO O=C1CC2(CCCCC2)C(=O)N1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902599606 592022260 /nfs/dbraw/zinc/02/22/60/592022260.db2.gz HPNYUEYJLUZEFR-UHFFFAOYSA-N 1 2 346.427 1.991 20 30 EDEDLO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1)c1cccc(C#N)c1O ZINC000903107834 592121621 /nfs/dbraw/zinc/12/16/21/592121621.db2.gz GEQDAQXQVAMBTJ-FIUQPQMISA-N 1 2 329.400 1.741 20 30 EDEDLO C[C@H]1[C@](C)(C=NNC(=S)NCC[NH+]2CCOCC2)[C@@]1(F)Cl ZINC000905422248 592525885 /nfs/dbraw/zinc/52/58/85/592525885.db2.gz MOSNTYOVWPEIMA-WCFLWFBJSA-N 1 2 336.864 1.329 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nc3c(s2)CCC3)nc1 ZINC000905522686 592560439 /nfs/dbraw/zinc/56/04/39/592560439.db2.gz ZGZYRTJLNLJDJY-UHFFFAOYSA-N 1 2 348.453 1.462 20 30 EDEDLO Cc1nc([C@@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)no1 ZINC000905680748 592610586 /nfs/dbraw/zinc/61/05/86/592610586.db2.gz AACORWJDFQJNLU-CYBMUJFWSA-N 1 2 325.372 1.347 20 30 EDEDLO Cc1nc([C@@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)no1 ZINC000905680748 592610587 /nfs/dbraw/zinc/61/05/87/592610587.db2.gz AACORWJDFQJNLU-CYBMUJFWSA-N 1 2 325.372 1.347 20 30 EDEDLO C#CCNC(=O)CC[NH2+][C@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC000905687238 592612989 /nfs/dbraw/zinc/61/29/89/592612989.db2.gz LZACXFWDKSUXHJ-INIZCTEOSA-N 1 2 332.354 1.517 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2c2c[nH+]cn2C)C1 ZINC000910842606 592896024 /nfs/dbraw/zinc/89/60/24/592896024.db2.gz NUAJIQLGUQKKSH-JKSUJKDBSA-N 1 2 342.443 1.736 20 30 EDEDLO C[C@H](NC(=O)Nc1nc(Cl)c(C#N)s1)[C@H](C)[NH+]1CCOCC1 ZINC000888411112 593053375 /nfs/dbraw/zinc/05/33/75/593053375.db2.gz MWYBWGZZZQATGW-IUCAKERBSA-N 1 2 343.840 1.899 20 30 EDEDLO C#CCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000806916370 593127691 /nfs/dbraw/zinc/12/76/91/593127691.db2.gz XWMDXMARUZQQCC-JKSUJKDBSA-N 1 2 347.846 1.731 20 30 EDEDLO C#CCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000806916370 593127693 /nfs/dbraw/zinc/12/76/93/593127693.db2.gz XWMDXMARUZQQCC-JKSUJKDBSA-N 1 2 347.846 1.731 20 30 EDEDLO C=CC[C@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)c1ccncc1 ZINC000805807125 593145788 /nfs/dbraw/zinc/14/57/88/593145788.db2.gz AAFMJVPUHXTXHY-INIZCTEOSA-N 1 2 349.394 1.779 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ncccc3C)n2CCOC)CC1 ZINC000802508785 593258469 /nfs/dbraw/zinc/25/84/69/593258469.db2.gz CASIYVRKYRWANZ-UHFFFAOYSA-N 1 2 340.431 1.050 20 30 EDEDLO C#CC[C@H]([NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000839168852 593270130 /nfs/dbraw/zinc/27/01/30/593270130.db2.gz NLKDDWKHXOUWLA-DOMZBBRYSA-N 1 2 328.368 1.216 20 30 EDEDLO C=C(C)[C@@H](CO)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000808772842 593286906 /nfs/dbraw/zinc/28/69/06/593286906.db2.gz MAKNEGKEDOMZGO-HZPDHXFCSA-N 1 2 339.480 1.550 20 30 EDEDLO C=C(Br)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000805001221 593325373 /nfs/dbraw/zinc/32/53/73/593325373.db2.gz FDZZHGBTQPCKPC-VXGBXAGGSA-N 1 2 332.242 1.400 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC2Cc3ccccc3C2)CC1 ZINC000809392567 593336172 /nfs/dbraw/zinc/33/61/72/593336172.db2.gz XGLGJPZIRCNFAT-UHFFFAOYSA-N 1 2 332.469 1.372 20 30 EDEDLO CCc1ccccc1NC(=O)CN1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000809572151 593346891 /nfs/dbraw/zinc/34/68/91/593346891.db2.gz JTLUSHDGRUJBRA-MRXNPFEDSA-N 1 2 330.432 1.080 20 30 EDEDLO C#Cc1cncc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000806297848 593437035 /nfs/dbraw/zinc/43/70/35/593437035.db2.gz APCGVOUUUZTFBH-IBGZPJMESA-N 1 2 335.407 1.694 20 30 EDEDLO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000806297848 593437038 /nfs/dbraw/zinc/43/70/38/593437038.db2.gz APCGVOUUUZTFBH-IBGZPJMESA-N 1 2 335.407 1.694 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000805473159 593456731 /nfs/dbraw/zinc/45/67/31/593456731.db2.gz RVZYQGAFRZUMIN-CQSZACIVSA-N 1 2 342.355 1.372 20 30 EDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000805473159 593456733 /nfs/dbraw/zinc/45/67/33/593456733.db2.gz RVZYQGAFRZUMIN-CQSZACIVSA-N 1 2 342.355 1.372 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cncc2ccccc12 ZINC000772833230 593456744 /nfs/dbraw/zinc/45/67/44/593456744.db2.gz NKNXTEXDFHSSCV-UHFFFAOYSA-N 1 2 343.456 1.365 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000805476843 593457871 /nfs/dbraw/zinc/45/78/71/593457871.db2.gz AYGAAIMQCNCMLN-CABCVRRESA-N 1 2 332.356 1.036 20 30 EDEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000805476843 593457873 /nfs/dbraw/zinc/45/78/73/593457873.db2.gz AYGAAIMQCNCMLN-CABCVRRESA-N 1 2 332.356 1.036 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000812874352 593511954 /nfs/dbraw/zinc/51/19/54/593511954.db2.gz CAGDFHYVJWNPOD-CQSZACIVSA-N 1 2 334.383 1.564 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000812874352 593511955 /nfs/dbraw/zinc/51/19/55/593511955.db2.gz CAGDFHYVJWNPOD-CQSZACIVSA-N 1 2 334.383 1.564 20 30 EDEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N[C@@H]1CCC[C@H]1O ZINC000817332679 593593016 /nfs/dbraw/zinc/59/30/16/593593016.db2.gz GLDCFFUPIAWUJQ-NVXWUHKLSA-N 1 2 349.394 1.798 20 30 EDEDLO COC(=O)[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(C#N)cc1 ZINC000817385373 593600217 /nfs/dbraw/zinc/60/02/17/593600217.db2.gz HMBGUBQUYZVMNH-FVQBIDKESA-N 1 2 329.400 1.654 20 30 EDEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1nnn(-c2cccc(Cl)c2)c1C ZINC000814897840 593606436 /nfs/dbraw/zinc/60/64/36/593606436.db2.gz NMWMFNAGMMEBNN-SECBINFHSA-N 1 2 331.811 1.890 20 30 EDEDLO CCc1nn(C)c(OC)c1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000814915027 593606763 /nfs/dbraw/zinc/60/67/63/593606763.db2.gz MKGRKNYACRPVIK-UHFFFAOYSA-N 1 2 326.364 1.413 20 30 EDEDLO CCc1nn(C)c(OC)c1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000814915027 593606764 /nfs/dbraw/zinc/60/67/64/593606764.db2.gz MKGRKNYACRPVIK-UHFFFAOYSA-N 1 2 326.364 1.413 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2(Cc3cccc(F)c3)CCOCC2)CC1 ZINC000815594065 593643702 /nfs/dbraw/zinc/64/37/02/593643702.db2.gz DYKMPZOCTZOACK-UHFFFAOYSA-N 1 2 344.430 1.942 20 30 EDEDLO C#CCN(C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000823890827 593880839 /nfs/dbraw/zinc/88/08/39/593880839.db2.gz SQQQEQSPLUSJMR-LJQANCHMSA-N 1 2 340.471 1.610 20 30 EDEDLO C#CCN(C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1)C1CC1 ZINC000823890827 593880842 /nfs/dbraw/zinc/88/08/42/593880842.db2.gz SQQQEQSPLUSJMR-LJQANCHMSA-N 1 2 340.471 1.610 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000820930362 593924365 /nfs/dbraw/zinc/92/43/65/593924365.db2.gz PPHCJWXCASNISP-OAHLLOKOSA-N 1 2 327.388 1.354 20 30 EDEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3cn[nH]c3)CC2)cc1 ZINC000823057071 594146030 /nfs/dbraw/zinc/14/60/30/594146030.db2.gz NMZLIHCHBYGWOX-UHFFFAOYSA-N 1 2 325.372 1.005 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000829982713 594306952 /nfs/dbraw/zinc/30/69/52/594306952.db2.gz FNWZGSOQLBMRDY-LJQANCHMSA-N 1 2 342.443 1.966 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000829982713 594306955 /nfs/dbraw/zinc/30/69/55/594306955.db2.gz FNWZGSOQLBMRDY-LJQANCHMSA-N 1 2 342.443 1.966 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000828742203 594492049 /nfs/dbraw/zinc/49/20/49/594492049.db2.gz DFTAVAPUQITXGM-JSGCOSHPSA-N 1 2 338.477 1.093 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 ZINC000830872684 594501812 /nfs/dbraw/zinc/50/18/12/594501812.db2.gz CIKKHKSBNPZVDP-UHFFFAOYSA-N 1 2 346.438 1.982 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 ZINC000830899780 594509034 /nfs/dbraw/zinc/50/90/34/594509034.db2.gz MEPDRWIFHQKDPI-UHFFFAOYSA-N 1 2 346.438 1.982 20 30 EDEDLO C=CCCOCC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826606190 594538910 /nfs/dbraw/zinc/53/89/10/594538910.db2.gz YDTLFTUYHIPOJX-SFHVURJKSA-N 1 2 332.444 1.905 20 30 EDEDLO C=CCCOCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826606190 594538912 /nfs/dbraw/zinc/53/89/12/594538912.db2.gz YDTLFTUYHIPOJX-SFHVURJKSA-N 1 2 332.444 1.905 20 30 EDEDLO C=CCCn1cc(C(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)nn1 ZINC000829038515 594554807 /nfs/dbraw/zinc/55/48/07/594554807.db2.gz NVUGEXOYNSIKQG-HNNXBMFYSA-N 1 2 338.415 1.874 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3cc(Cl)nnc3C2)cc1 ZINC000829101103 594566912 /nfs/dbraw/zinc/56/69/12/594566912.db2.gz OZIYVEOHWFOZAM-CQSZACIVSA-N 1 2 344.802 1.800 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3cc(Cl)nnc3C2)cc1 ZINC000829101103 594566913 /nfs/dbraw/zinc/56/69/13/594566913.db2.gz OZIYVEOHWFOZAM-CQSZACIVSA-N 1 2 344.802 1.800 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829456613 594617140 /nfs/dbraw/zinc/61/71/40/594617140.db2.gz FBCDLBWCMTXGAF-GFCCVEGCSA-N 1 2 325.372 1.606 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829456613 594617141 /nfs/dbraw/zinc/61/71/41/594617141.db2.gz FBCDLBWCMTXGAF-GFCCVEGCSA-N 1 2 325.372 1.606 20 30 EDEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000829476410 594622272 /nfs/dbraw/zinc/62/22/72/594622272.db2.gz FCHUVECPCZSCTR-GFCCVEGCSA-N 1 2 333.363 1.407 20 30 EDEDLO Cc1ccc(C#N)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000827089065 594638088 /nfs/dbraw/zinc/63/80/88/594638088.db2.gz UXDSDCCUIGXZAT-IBGZPJMESA-N 1 2 343.427 1.212 20 30 EDEDLO Cc1ccc(C#N)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000827089065 594638090 /nfs/dbraw/zinc/63/80/90/594638090.db2.gz UXDSDCCUIGXZAT-IBGZPJMESA-N 1 2 343.427 1.212 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000831687870 594692837 /nfs/dbraw/zinc/69/28/37/594692837.db2.gz YBQNKTGQVSZHGH-AWEZNQCLSA-N 1 2 329.400 1.470 20 30 EDEDLO C#CCOc1cccc(NC(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000841624706 594930007 /nfs/dbraw/zinc/93/00/07/594930007.db2.gz ATOPBLAAYDVHJF-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO C=C[C@H](C)ONC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000845638468 595037192 /nfs/dbraw/zinc/03/71/92/595037192.db2.gz HMIDFGMDSNRGEG-AWEZNQCLSA-N 1 2 326.441 1.078 20 30 EDEDLO C=C[C@H](C)ONC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000845638468 595037195 /nfs/dbraw/zinc/03/71/95/595037195.db2.gz HMIDFGMDSNRGEG-AWEZNQCLSA-N 1 2 326.441 1.078 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C2CC[NH+](c3ccc(OC)cc3)CC2)C1=O ZINC000842240021 595050717 /nfs/dbraw/zinc/05/07/17/595050717.db2.gz MHBBSKRITFMCEV-INIZCTEOSA-N 1 2 327.384 1.608 20 30 EDEDLO C=CCn1nnn(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)c1=S ZINC000842622792 595146908 /nfs/dbraw/zinc/14/69/08/595146908.db2.gz JYMMKAXKWZSUKF-MRXNPFEDSA-N 1 2 331.445 1.718 20 30 EDEDLO C=CCn1nnn(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c1=S ZINC000842622792 595146910 /nfs/dbraw/zinc/14/69/10/595146910.db2.gz JYMMKAXKWZSUKF-MRXNPFEDSA-N 1 2 331.445 1.718 20 30 EDEDLO C[C@H](O[NH+]=C(N)COC[C@@H]1CCOC1)C(=O)Nc1cccc(C#N)c1 ZINC000842661003 595163178 /nfs/dbraw/zinc/16/31/78/595163178.db2.gz DVBMXBIRCXRAGK-GXTWGEPZSA-N 1 2 346.387 1.437 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000843790271 595186975 /nfs/dbraw/zinc/18/69/75/595186975.db2.gz IUMAKKRIHZBLTQ-JKSUJKDBSA-N 1 2 333.476 1.342 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000843790271 595186977 /nfs/dbraw/zinc/18/69/77/595186977.db2.gz IUMAKKRIHZBLTQ-JKSUJKDBSA-N 1 2 333.476 1.342 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000834705525 595194606 /nfs/dbraw/zinc/19/46/06/595194606.db2.gz NRWMWGOFCPXVFH-AWEZNQCLSA-N 1 2 341.415 1.020 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000834705525 595194607 /nfs/dbraw/zinc/19/46/07/595194607.db2.gz NRWMWGOFCPXVFH-AWEZNQCLSA-N 1 2 341.415 1.020 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)[C@@H]1CCCC[C@H]1C ZINC000834920475 595238573 /nfs/dbraw/zinc/23/85/73/595238573.db2.gz QSPBLSXIYZLMHC-UKRRQHHQSA-N 1 2 326.510 1.985 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000847022903 595352324 /nfs/dbraw/zinc/35/23/24/595352324.db2.gz JPDZXUJTCHOKNF-ARFHVFGLSA-N 1 2 340.489 1.146 20 30 EDEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000847022903 595352326 /nfs/dbraw/zinc/35/23/26/595352326.db2.gz JPDZXUJTCHOKNF-ARFHVFGLSA-N 1 2 340.489 1.146 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000848282995 595353215 /nfs/dbraw/zinc/35/32/15/595353215.db2.gz LSMDGWHRURSIIU-OAHLLOKOSA-N 1 2 342.439 1.934 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000848282995 595353218 /nfs/dbraw/zinc/35/32/18/595353218.db2.gz LSMDGWHRURSIIU-OAHLLOKOSA-N 1 2 342.439 1.934 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C1 ZINC000847032489 595354037 /nfs/dbraw/zinc/35/40/37/595354037.db2.gz UEQIQAUFGREFPZ-LLVKDONJSA-N 1 2 327.413 1.488 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C1 ZINC000847032489 595354040 /nfs/dbraw/zinc/35/40/40/595354040.db2.gz UEQIQAUFGREFPZ-LLVKDONJSA-N 1 2 327.413 1.488 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](NC(=O)CC(C)C)c2ccccc2)CC1 ZINC000112920261 595563572 /nfs/dbraw/zinc/56/35/72/595563572.db2.gz UXFZDVHDIWPYFK-LJQANCHMSA-N 1 2 341.455 1.667 20 30 EDEDLO C=CC[N@H+](CN1C[C@H](C(=O)OC(C)(C)C)CC1=O)[C@@H](C)COC ZINC000853534153 595789096 /nfs/dbraw/zinc/78/90/96/595789096.db2.gz GZMNZLVYKVWCBJ-UONOGXRCSA-N 1 2 326.437 1.657 20 30 EDEDLO C=CC[N@@H+](CN1C[C@H](C(=O)OC(C)(C)C)CC1=O)[C@@H](C)COC ZINC000853534153 595789099 /nfs/dbraw/zinc/78/90/99/595789099.db2.gz GZMNZLVYKVWCBJ-UONOGXRCSA-N 1 2 326.437 1.657 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCc2c(nnn2CCOC)C1 ZINC000853646565 595845383 /nfs/dbraw/zinc/84/53/83/595845383.db2.gz UUWVLUACUOUEOP-UHFFFAOYSA-N 1 2 341.415 1.674 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1snc(Cl)c1C#N ZINC000858685917 595864993 /nfs/dbraw/zinc/86/49/93/595864993.db2.gz IMNUUTQXVKKYBV-AWEZNQCLSA-N 1 2 342.852 1.696 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1snc(Cl)c1C#N ZINC000858685917 595864997 /nfs/dbraw/zinc/86/49/97/595864997.db2.gz IMNUUTQXVKKYBV-AWEZNQCLSA-N 1 2 342.852 1.696 20 30 EDEDLO C#CCCOC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000858905057 595917961 /nfs/dbraw/zinc/91/79/61/595917961.db2.gz IJNWYJCDAYMXRU-UHFFFAOYSA-N 1 2 339.436 1.679 20 30 EDEDLO C#Cc1cccnc1NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000853911221 595919507 /nfs/dbraw/zinc/91/95/07/595919507.db2.gz QNWZVOHOJRPRLK-HXUWFJFHSA-N 1 2 337.423 1.738 20 30 EDEDLO C#Cc1cccnc1NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000853911221 595919509 /nfs/dbraw/zinc/91/95/09/595919509.db2.gz QNWZVOHOJRPRLK-HXUWFJFHSA-N 1 2 337.423 1.738 20 30 EDEDLO C#Cc1cnc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)nc1 ZINC000853911156 595919591 /nfs/dbraw/zinc/91/95/91/595919591.db2.gz OMYQLLUWULNWHW-IBGZPJMESA-N 1 2 338.411 1.133 20 30 EDEDLO C#Cc1cnc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)nc1 ZINC000853911156 595919593 /nfs/dbraw/zinc/91/95/93/595919593.db2.gz OMYQLLUWULNWHW-IBGZPJMESA-N 1 2 338.411 1.133 20 30 EDEDLO C#CCOCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 ZINC000851779013 595919990 /nfs/dbraw/zinc/91/99/90/595919990.db2.gz OGHAMWDFNFVHGH-GOSISDBHSA-N 1 2 344.455 1.865 20 30 EDEDLO COCC[N@H+](CCC#N)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851797941 595927978 /nfs/dbraw/zinc/92/79/78/595927978.db2.gz NHPMPMWDAATAKQ-AWEZNQCLSA-N 1 2 327.425 1.484 20 30 EDEDLO COCC[N@@H+](CCC#N)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851797941 595927979 /nfs/dbraw/zinc/92/79/79/595927979.db2.gz NHPMPMWDAATAKQ-AWEZNQCLSA-N 1 2 327.425 1.484 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000854087734 595972231 /nfs/dbraw/zinc/97/22/31/595972231.db2.gz LXYCUXLJMJUJBV-GFCCVEGCSA-N 1 2 342.374 1.587 20 30 EDEDLO C=C(C)CONC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000854218948 596005724 /nfs/dbraw/zinc/00/57/24/596005724.db2.gz KCRVTUKSNHHDLZ-QGZVFWFLSA-N 1 2 332.448 1.610 20 30 EDEDLO C=C(C)CONC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000854218948 596005728 /nfs/dbraw/zinc/00/57/28/596005728.db2.gz KCRVTUKSNHHDLZ-QGZVFWFLSA-N 1 2 332.448 1.610 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000852056263 596026198 /nfs/dbraw/zinc/02/61/98/596026198.db2.gz IITOZQFCTOTKAS-AWEZNQCLSA-N 1 2 340.387 1.352 20 30 EDEDLO C#Cc1cncc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)c1 ZINC000854341368 596042762 /nfs/dbraw/zinc/04/27/62/596042762.db2.gz SSVDZHWOIHHXJU-UHFFFAOYSA-N 1 2 325.372 1.362 20 30 EDEDLO C#CC[C@@H](COC)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000859427846 596091970 /nfs/dbraw/zinc/09/19/70/596091970.db2.gz OWSQIFGMKZNDIL-HNNXBMFYSA-N 1 2 333.413 1.248 20 30 EDEDLO CCOC(=O)[C@@]1(F)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC12CCC2 ZINC000852318586 596124397 /nfs/dbraw/zinc/12/43/97/596124397.db2.gz SQLRVFBAXALACB-DYVFJYSZSA-N 1 2 339.411 1.504 20 30 EDEDLO CCOC(=O)[C@@]1(F)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC12CCC2 ZINC000852318586 596124398 /nfs/dbraw/zinc/12/43/98/596124398.db2.gz SQLRVFBAXALACB-DYVFJYSZSA-N 1 2 339.411 1.504 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000859578923 596137386 /nfs/dbraw/zinc/13/73/86/596137386.db2.gz ZMXRRAFGCZRBML-AUUYWEPGSA-N 1 2 326.396 1.624 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000859578923 596137389 /nfs/dbraw/zinc/13/73/89/596137389.db2.gz ZMXRRAFGCZRBML-AUUYWEPGSA-N 1 2 326.396 1.624 20 30 EDEDLO COC(=O)N(C)CC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000852570267 596200800 /nfs/dbraw/zinc/20/08/00/596200800.db2.gz LQHAJFJTLRCJDQ-UHFFFAOYSA-N 1 2 329.360 1.738 20 30 EDEDLO COC(=O)N(C)CC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000852570267 596200801 /nfs/dbraw/zinc/20/08/01/596200801.db2.gz LQHAJFJTLRCJDQ-UHFFFAOYSA-N 1 2 329.360 1.738 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)nn1 ZINC000864651302 596297698 /nfs/dbraw/zinc/29/76/98/596297698.db2.gz YDWNCPXQVUVAAG-OAHLLOKOSA-N 1 2 349.435 1.027 20 30 EDEDLO C[C@@H](O)c1ncc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)s1 ZINC000862421969 596325753 /nfs/dbraw/zinc/32/57/53/596325753.db2.gz MVAVEGYQWAIXBE-GFCCVEGCSA-N 1 2 329.429 1.785 20 30 EDEDLO N#Cc1ccc2nc(NC(=O)CCCC[NH+]3CCOCC3)[nH]c2c1 ZINC000871072991 596455985 /nfs/dbraw/zinc/45/59/85/596455985.db2.gz QAKYPWPCDGOBCB-UHFFFAOYSA-N 1 2 327.388 1.876 20 30 EDEDLO CCC(=[NH+]NC(=S)NCCN1CCOCC1)c1ccc(N)cc1 ZINC000863067157 596499673 /nfs/dbraw/zinc/49/96/73/596499673.db2.gz KWTGJCUHBLIBLT-UHFFFAOYSA-N 1 2 335.477 1.179 20 30 EDEDLO C[C@H]1C[NH+]=C(NN=C2C(=O)Nc3ccc(OC(F)(F)F)cc32)N1 ZINC000863104828 596502829 /nfs/dbraw/zinc/50/28/29/596502829.db2.gz FRKKHYGRNXLWLP-LURJTMIESA-N 1 2 327.266 1.179 20 30 EDEDLO N#CCc1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c1 ZINC000867710808 596507974 /nfs/dbraw/zinc/50/79/74/596507974.db2.gz IFVUZFGAWGGULB-CQSZACIVSA-N 1 2 325.409 1.465 20 30 EDEDLO N#CCc1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1 ZINC000867710808 596507975 /nfs/dbraw/zinc/50/79/75/596507975.db2.gz IFVUZFGAWGGULB-CQSZACIVSA-N 1 2 325.409 1.465 20 30 EDEDLO N#Cc1cc(F)cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c1 ZINC000867714242 596511551 /nfs/dbraw/zinc/51/15/51/596511551.db2.gz YMSPEGRETUFAEB-CYBMUJFWSA-N 1 2 329.372 1.410 20 30 EDEDLO N#Cc1cc(F)cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1 ZINC000867714242 596511553 /nfs/dbraw/zinc/51/15/53/596511553.db2.gz YMSPEGRETUFAEB-CYBMUJFWSA-N 1 2 329.372 1.410 20 30 EDEDLO CCC(CC)[C@@H](C(=O)N(CC#N)CCC(=O)OC)[NH+]1CCOCC1 ZINC000871342390 596537002 /nfs/dbraw/zinc/53/70/02/596537002.db2.gz LXTQGEUNLBYTDC-INIZCTEOSA-N 1 2 339.436 1.039 20 30 EDEDLO C#CCCS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000867792284 596551908 /nfs/dbraw/zinc/55/19/08/596551908.db2.gz PGSGIEJHSMUEGJ-KRWDZBQOSA-N 1 2 336.457 1.139 20 30 EDEDLO C#CCCS(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000867792284 596551910 /nfs/dbraw/zinc/55/19/10/596551910.db2.gz PGSGIEJHSMUEGJ-KRWDZBQOSA-N 1 2 336.457 1.139 20 30 EDEDLO N#C[C@]1(C(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)CCCOC1 ZINC000871422709 596578641 /nfs/dbraw/zinc/57/86/41/596578641.db2.gz ATSLNWHMFPLXQC-CRAIPNDOSA-N 1 2 326.400 1.713 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000119709045 596712692 /nfs/dbraw/zinc/71/26/92/596712692.db2.gz STBRLDLIABCYCS-UHFFFAOYSA-N 1 2 344.346 1.168 20 30 EDEDLO C[C@](O)(C[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C1CC1 ZINC000863968494 596737445 /nfs/dbraw/zinc/73/74/45/596737445.db2.gz JBVULCPLRLGZSA-QYZOEREBSA-N 1 2 330.428 1.844 20 30 EDEDLO C[C@](O)(C[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C1CC1 ZINC000863968494 596737448 /nfs/dbraw/zinc/73/74/48/596737448.db2.gz JBVULCPLRLGZSA-QYZOEREBSA-N 1 2 330.428 1.844 20 30 EDEDLO C[C@H](NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000868287244 596767506 /nfs/dbraw/zinc/76/75/06/596767506.db2.gz VIRCBULOZBMCGA-DEYYWGMASA-N 1 2 342.443 1.434 20 30 EDEDLO COc1cccc(C[NH+]2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)c1 ZINC000870155568 596778120 /nfs/dbraw/zinc/77/81/20/596778120.db2.gz RXOWLBLSEAGXAD-LJQANCHMSA-N 1 2 343.427 1.660 20 30 EDEDLO CCOc1cccc(/C=[NH+]/CCCN2CCCS2(=O)=O)c1O ZINC000864346672 596862281 /nfs/dbraw/zinc/86/22/81/596862281.db2.gz CHBTVSIZIADBQS-FOWTUZBSSA-N 1 2 326.418 1.635 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000864423022 596888625 /nfs/dbraw/zinc/88/86/25/596888625.db2.gz QHEAMWBNWHHUGC-HNNXBMFYSA-N 1 2 338.415 1.675 20 30 EDEDLO CC(=O)Oc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000124057277 596895267 /nfs/dbraw/zinc/89/52/67/596895267.db2.gz BVJUFTCSJLUBFE-UHFFFAOYSA-N 1 2 331.416 1.660 20 30 EDEDLO C=CC[NH+]1CCC(NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CC1 ZINC000872447657 596911384 /nfs/dbraw/zinc/91/13/84/596911384.db2.gz UZJNXARFNGARNM-FQEVSTJZSA-N 1 2 337.511 1.368 20 30 EDEDLO C=CCSc1nc2ccccc2n1C[N@H+](C)CCS(N)(=O)=O ZINC000872822433 597085736 /nfs/dbraw/zinc/08/57/36/597085736.db2.gz FQYXTZMUXPPHFG-UHFFFAOYSA-N 1 2 340.474 1.492 20 30 EDEDLO C=CCSc1nc2ccccc2n1C[N@@H+](C)CCS(N)(=O)=O ZINC000872822433 597085737 /nfs/dbraw/zinc/08/57/37/597085737.db2.gz FQYXTZMUXPPHFG-UHFFFAOYSA-N 1 2 340.474 1.492 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)N2CC[NH+](CCOCCOC)CC2)CC1 ZINC000876441076 597206697 /nfs/dbraw/zinc/20/66/97/597206697.db2.gz QGIINQIVGKTAII-QAQDUYKDSA-N 1 2 337.464 1.169 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000876569438 597244131 /nfs/dbraw/zinc/24/41/31/597244131.db2.gz SVMFIARWVOHKCO-CYBMUJFWSA-N 1 2 349.866 1.639 20 30 EDEDLO C#CCCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@H]2C1 ZINC000875316580 597380902 /nfs/dbraw/zinc/38/09/02/597380902.db2.gz DIDHTOBUCULQDO-HOTGVXAUSA-N 1 2 328.416 1.614 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)on1 ZINC000877744941 597552454 /nfs/dbraw/zinc/55/24/54/597552454.db2.gz BQZXVISIRCGLOP-UHFFFAOYSA-N 1 2 326.356 1.655 20 30 EDEDLO CN(C)c1ncc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)cn1 ZINC000877747001 597553013 /nfs/dbraw/zinc/55/30/13/597553013.db2.gz QZHKVTZLZDIORU-UHFFFAOYSA-N 1 2 340.406 1.876 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2noc3c2CC(C)(C)CC3)CC1 ZINC000877893316 597562177 /nfs/dbraw/zinc/56/21/77/597562177.db2.gz NCHFVONLINEMCV-UHFFFAOYSA-N 1 2 346.475 1.609 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCN2C(=O)OCC[C@@H]2C1)c1ccccc1 ZINC000878325913 597595672 /nfs/dbraw/zinc/59/56/72/597595672.db2.gz NQVZKFYGTAPEJB-MJGOQNOKSA-N 1 2 341.411 1.954 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCN2C(=O)OCC[C@@H]2C1)c1ccccc1 ZINC000878325913 597595673 /nfs/dbraw/zinc/59/56/73/597595673.db2.gz NQVZKFYGTAPEJB-MJGOQNOKSA-N 1 2 341.411 1.954 20 30 EDEDLO CC(C)N1CC[C@H]([NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1=O ZINC000879588244 597646102 /nfs/dbraw/zinc/64/61/02/597646102.db2.gz BLEVMYJHDGWDBV-KRWDZBQOSA-N 1 2 330.407 1.829 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879760080 597713100 /nfs/dbraw/zinc/71/31/00/597713100.db2.gz PIEJEWXGMNCIFU-INIZCTEOSA-N 1 2 336.480 1.575 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879760080 597713104 /nfs/dbraw/zinc/71/31/04/597713104.db2.gz PIEJEWXGMNCIFU-INIZCTEOSA-N 1 2 336.480 1.575 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000879236392 597860840 /nfs/dbraw/zinc/86/08/40/597860840.db2.gz XRKDLZOCKVBBHL-GFCCVEGCSA-N 1 2 344.415 1.403 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000879236392 597860842 /nfs/dbraw/zinc/86/08/42/597860842.db2.gz XRKDLZOCKVBBHL-GFCCVEGCSA-N 1 2 344.415 1.403 20 30 EDEDLO C#C[C@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)[C@@H]1CCCO1 ZINC000882082668 597863435 /nfs/dbraw/zinc/86/34/35/597863435.db2.gz PPQDOXCPAUZBMS-HOTGVXAUSA-N 1 2 334.441 1.134 20 30 EDEDLO C#C[C@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)[C@@H]1CCCO1 ZINC000882082668 597863438 /nfs/dbraw/zinc/86/34/38/597863438.db2.gz PPQDOXCPAUZBMS-HOTGVXAUSA-N 1 2 334.441 1.134 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349434 597910990 /nfs/dbraw/zinc/91/09/90/597910990.db2.gz AQDQFEVCHRBBHL-LBPRGKRZSA-N 1 2 345.399 1.232 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349434 597910992 /nfs/dbraw/zinc/91/09/92/597910992.db2.gz AQDQFEVCHRBBHL-LBPRGKRZSA-N 1 2 345.399 1.232 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000884083792 597989741 /nfs/dbraw/zinc/98/97/41/597989741.db2.gz ZRAJOOKVQPLARN-AAEUAGOBSA-N 1 2 340.807 1.670 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000884095161 597993290 /nfs/dbraw/zinc/99/32/90/597993290.db2.gz GUCKUYCXKNXCTE-CVEARBPZSA-N 1 2 334.391 1.806 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000884312452 598062901 /nfs/dbraw/zinc/06/29/01/598062901.db2.gz FZVIWZYLXFZBRN-HNNXBMFYSA-N 1 2 342.399 1.150 20 30 EDEDLO C#CCCCCCC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060463742 695239703 /nfs/dbraw/zinc/23/97/03/695239703.db2.gz GCJPEUGEJMOMLU-MRXNPFEDSA-N 1 2 344.459 1.891 20 30 EDEDLO Cc1cnc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)cn1 ZINC000993232633 695852148 /nfs/dbraw/zinc/85/21/48/695852148.db2.gz KIUJHYRCFWUADK-CZUORRHYSA-N 1 2 338.415 1.768 20 30 EDEDLO Cc1cnc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)cn1 ZINC000993232633 695852149 /nfs/dbraw/zinc/85/21/49/695852149.db2.gz KIUJHYRCFWUADK-CZUORRHYSA-N 1 2 338.415 1.768 20 30 EDEDLO C[C@@H]1CO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC001031860972 700034687 /nfs/dbraw/zinc/03/46/87/700034687.db2.gz XBFFAQNWQYCLGX-YVEFUNNKSA-N 1 2 331.391 1.670 20 30 EDEDLO C=CCOc1cccnc1C(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001031231702 695922069 /nfs/dbraw/zinc/92/20/69/695922069.db2.gz JBPNDMCMWVMXMA-ZFWWWQNUSA-N 1 2 331.416 1.628 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3n[nH]nc3n2)[C@@H]1C ZINC000993421724 696093525 /nfs/dbraw/zinc/09/35/25/696093525.db2.gz WKNXBJXGBCPOFR-QWRGUYRKSA-N 1 2 334.811 1.688 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3n[nH]nc3n2)[C@@H]1C ZINC000993421724 696093527 /nfs/dbraw/zinc/09/35/27/696093527.db2.gz WKNXBJXGBCPOFR-QWRGUYRKSA-N 1 2 334.811 1.688 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(OC)n(C)n2)[C@H]1C ZINC000993582351 696234371 /nfs/dbraw/zinc/23/43/71/696234371.db2.gz ZBQBCOBQPPRKOM-NEPJUHHUSA-N 1 2 326.828 1.764 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)n(C)n2)[C@H]1C ZINC000993582351 696234373 /nfs/dbraw/zinc/23/43/73/696234373.db2.gz ZBQBCOBQPPRKOM-NEPJUHHUSA-N 1 2 326.828 1.764 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)NC1CCC(Nc2ccc(C#N)cn2)CC1 ZINC001060598873 696244866 /nfs/dbraw/zinc/24/48/66/696244866.db2.gz HOAKGCRSXKRWIE-UHFFFAOYSA-N 1 2 338.415 1.769 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2=CCCC2)C1 ZINC000993631527 696292855 /nfs/dbraw/zinc/29/28/55/696292855.db2.gz NFHJEUASIASYGC-NWANDNLSSA-N 1 2 341.415 1.101 20 30 EDEDLO N#Cc1ccc(NC2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)nn1 ZINC001060624907 696441763 /nfs/dbraw/zinc/44/17/63/696441763.db2.gz QFJVYOFMEKRLRD-UHFFFAOYSA-N 1 2 325.376 1.153 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccnn3C)[C@@H]2C)nc1 ZINC000994255724 696660273 /nfs/dbraw/zinc/66/02/73/696660273.db2.gz QPHOXFMHZNSGBJ-PBHICJAKSA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccnn3C)[C@@H]2C)nc1 ZINC000994255724 696660274 /nfs/dbraw/zinc/66/02/74/696660274.db2.gz QPHOXFMHZNSGBJ-PBHICJAKSA-N 1 2 337.427 1.579 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H]1C ZINC000994270293 696693905 /nfs/dbraw/zinc/69/39/05/696693905.db2.gz FTWPJGCWWHSZMB-KBPBESRZSA-N 1 2 338.839 1.273 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@@H]1C ZINC000994270293 696693908 /nfs/dbraw/zinc/69/39/08/696693908.db2.gz FTWPJGCWWHSZMB-KBPBESRZSA-N 1 2 338.839 1.273 20 30 EDEDLO NC(=NOCc1nccs1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181850474 700102685 /nfs/dbraw/zinc/10/26/85/700102685.db2.gz BAEYXGCOQRBKFY-CQSZACIVSA-N 1 2 332.429 1.833 20 30 EDEDLO NC(=NOCc1nccs1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181850474 700102686 /nfs/dbraw/zinc/10/26/86/700102686.db2.gz BAEYXGCOQRBKFY-CQSZACIVSA-N 1 2 332.429 1.833 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3coc(CC)n3)C2)C1=O ZINC001007161312 696856128 /nfs/dbraw/zinc/85/61/28/696856128.db2.gz NHJIKKJUYBUXHY-UKRRQHHQSA-N 1 2 346.431 1.218 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3coc(CC)n3)C2)C1=O ZINC001007161312 696856133 /nfs/dbraw/zinc/85/61/33/696856133.db2.gz NHJIKKJUYBUXHY-UKRRQHHQSA-N 1 2 346.431 1.218 20 30 EDEDLO CCNC(=O)C[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000917401964 697012677 /nfs/dbraw/zinc/01/26/77/697012677.db2.gz NDDCRQQIWKIOEJ-ZDUSSCGKSA-N 1 2 337.383 1.292 20 30 EDEDLO CCNC(=O)C[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000917401964 697012679 /nfs/dbraw/zinc/01/26/79/697012679.db2.gz NDDCRQQIWKIOEJ-ZDUSSCGKSA-N 1 2 337.383 1.292 20 30 EDEDLO Cc1c(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)cnn1C ZINC001031550335 697235094 /nfs/dbraw/zinc/23/50/94/697235094.db2.gz UHADRMUCGMIHHT-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO CC(C)(C)C#CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060731042 697275872 /nfs/dbraw/zinc/27/58/72/697275872.db2.gz LALVFWNMANDKHT-SHTZXODSSA-N 1 2 344.459 1.793 20 30 EDEDLO Cc1c[nH]nc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031659568 697427240 /nfs/dbraw/zinc/42/72/40/697427240.db2.gz IRMVRUBGEIMHDR-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@]12C[C@H]1COC2 ZINC001031687369 697519791 /nfs/dbraw/zinc/51/97/91/697519791.db2.gz VSSZFISAXSIIDC-LPHOPBHVSA-N 1 2 328.387 1.262 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000938698333 698519999 /nfs/dbraw/zinc/51/99/99/698519999.db2.gz VLFCOQDOQUAFET-GJZGRUSLSA-N 1 2 342.443 1.519 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)[nH]1 ZINC000943681020 698690440 /nfs/dbraw/zinc/69/04/40/698690440.db2.gz RUYNMVAMJSLJQA-HAQNSBGRSA-N 1 2 340.387 1.009 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)ccc3C3CC3)CC2)C1 ZINC000941500441 701561022 /nfs/dbraw/zinc/56/10/22/701561022.db2.gz SWJMAVSLTLAGIA-UHFFFAOYSA-N 1 2 337.467 1.948 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3-n3cccc3)CC2)C1 ZINC000941545113 701576019 /nfs/dbraw/zinc/57/60/19/701576019.db2.gz MXTNQBZPEUNCMJ-UHFFFAOYSA-N 1 2 348.450 1.553 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)C1 ZINC000941580271 701588679 /nfs/dbraw/zinc/58/86/79/701588679.db2.gz ZICJZBIXOATUML-UHFFFAOYSA-N 1 2 335.810 1.554 20 30 EDEDLO Cn1cncc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031818819 699548323 /nfs/dbraw/zinc/54/83/23/699548323.db2.gz CPWLSXCMFZELBD-UHFFFAOYSA-N 1 2 326.375 1.273 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnn3)C2)cn1 ZINC000939567779 699710619 /nfs/dbraw/zinc/71/06/19/699710619.db2.gz NFMDLFNQZLTQLG-IAQYHMDHSA-N 1 2 327.413 1.165 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001032193397 701624507 /nfs/dbraw/zinc/62/45/07/701624507.db2.gz VRNKAMRQADMJFE-UHFFFAOYSA-N 1 2 333.823 1.760 20 30 EDEDLO C=C(Cl)CN1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001032122906 701664111 /nfs/dbraw/zinc/66/41/11/701664111.db2.gz GLYWAYVBBAYSDV-UHFFFAOYSA-N 1 2 331.807 1.681 20 30 EDEDLO COc1nn(C)cc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031896952 700738520 /nfs/dbraw/zinc/73/85/20/700738520.db2.gz MMWARNYBHVWHML-UHFFFAOYSA-N 1 2 345.428 1.224 20 30 EDEDLO CC1(C)C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940693532 700835641 /nfs/dbraw/zinc/83/56/41/700835641.db2.gz VQQPHDYHNULVSN-HNNXBMFYSA-N 1 2 327.388 1.905 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940693532 700835644 /nfs/dbraw/zinc/83/56/44/700835644.db2.gz VQQPHDYHNULVSN-HNNXBMFYSA-N 1 2 327.388 1.905 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)Cc2n[nH]c(C)n2)C(C)(C)C1 ZINC000940732521 700875472 /nfs/dbraw/zinc/87/54/72/700875472.db2.gz KMXCMEUNEHEHEQ-GFCCVEGCSA-N 1 2 325.844 1.625 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)Cc2n[nH]c(C)n2)C(C)(C)C1 ZINC000940732521 700875474 /nfs/dbraw/zinc/87/54/74/700875474.db2.gz KMXCMEUNEHEHEQ-GFCCVEGCSA-N 1 2 325.844 1.625 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)cn1 ZINC000941168204 701379117 /nfs/dbraw/zinc/37/91/17/701379117.db2.gz BRYXOFVWYKWQHC-QGZVFWFLSA-N 1 2 349.438 1.883 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)cn1 ZINC000941168204 701379119 /nfs/dbraw/zinc/37/91/19/701379119.db2.gz BRYXOFVWYKWQHC-QGZVFWFLSA-N 1 2 349.438 1.883 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@H]1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000941232951 701406716 /nfs/dbraw/zinc/40/67/16/701406716.db2.gz RSJKTALHXFFUND-MRXNPFEDSA-N 1 2 346.500 1.846 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@H]1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000941232951 701406718 /nfs/dbraw/zinc/40/67/18/701406718.db2.gz RSJKTALHXFFUND-MRXNPFEDSA-N 1 2 346.500 1.846 20 30 EDEDLO Cc1cc(F)ccc1C[NH+]1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000941349591 701483723 /nfs/dbraw/zinc/48/37/23/701483723.db2.gz ZCTZOTPMGCDKCG-OAHLLOKOSA-N 1 2 344.434 1.622 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4cc[nH]c4n3)CC2)C1 ZINC000941447278 701545610 /nfs/dbraw/zinc/54/56/10/701545610.db2.gz USIWJZQGBDLMAF-UHFFFAOYSA-N 1 2 337.427 1.028 20 30 EDEDLO Cc1cc(C)c(C(=O)N2CCCN(C(=O)[C@H](C)C#N)CC2)c(C)[nH+]1 ZINC000941875260 702021690 /nfs/dbraw/zinc/02/16/90/702021690.db2.gz MMIQKEKTGNUSJM-CYBMUJFWSA-N 1 2 328.416 1.841 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)cc1 ZINC000941970213 702235011 /nfs/dbraw/zinc/23/50/11/702235011.db2.gz NKOXBIAYTOSUPE-QGZVFWFLSA-N 1 2 336.395 1.355 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)cc1 ZINC000941970213 702235013 /nfs/dbraw/zinc/23/50/13/702235013.db2.gz NKOXBIAYTOSUPE-QGZVFWFLSA-N 1 2 336.395 1.355 20 30 EDEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccsc2)nn1 ZINC001032670061 706673329 /nfs/dbraw/zinc/67/33/29/706673329.db2.gz KICBNBLVSXBFKX-KBPBESRZSA-N 1 2 329.429 1.625 20 30 EDEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccsc2)nn1 ZINC001032670061 706673331 /nfs/dbraw/zinc/67/33/31/706673331.db2.gz KICBNBLVSXBFKX-KBPBESRZSA-N 1 2 329.429 1.625 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001031992041 702507140 /nfs/dbraw/zinc/50/71/40/702507140.db2.gz IBCRZMHXWSHTOL-KURKYZTESA-N 1 2 325.412 1.674 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000996330390 702715166 /nfs/dbraw/zinc/71/51/66/702715166.db2.gz LJCUKXGVKVLHTE-RDBSUJKOSA-N 1 2 334.420 1.296 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)C[C@H]2C)cc1 ZINC000942553203 703065236 /nfs/dbraw/zinc/06/52/36/703065236.db2.gz MRYDWOCMMMNVPS-RHSMWYFYSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)C[C@H]2C)cc1 ZINC000942553203 703065238 /nfs/dbraw/zinc/06/52/38/703065238.db2.gz MRYDWOCMMMNVPS-RHSMWYFYSA-N 1 2 337.427 1.437 20 30 EDEDLO C=CCCn1cc(C(=O)NCC2C[NH+]([C@H](C)c3cnccn3)C2)nn1 ZINC001032041353 703170490 /nfs/dbraw/zinc/17/04/90/703170490.db2.gz KIQZBNJWKFLVDS-CYBMUJFWSA-N 1 2 341.419 1.067 20 30 EDEDLO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)nn1 ZINC001032041313 703193645 /nfs/dbraw/zinc/19/36/45/703193645.db2.gz IQYMLVXAHMQETK-UHFFFAOYSA-N 1 2 344.394 1.250 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCCO2)c1 ZINC001032356896 703206466 /nfs/dbraw/zinc/20/64/66/703206466.db2.gz YXKRTENYFUUJAG-BZSNNMDCSA-N 1 2 325.412 1.912 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCCO2)c1 ZINC001032356896 703206468 /nfs/dbraw/zinc/20/64/68/703206468.db2.gz YXKRTENYFUUJAG-BZSNNMDCSA-N 1 2 325.412 1.912 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCCO2)cc1 ZINC001032355959 703207163 /nfs/dbraw/zinc/20/71/63/703207163.db2.gz PRVGIBIZILFHAW-OKZBNKHCSA-N 1 2 325.412 1.912 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCCO2)cc1 ZINC001032355959 703207165 /nfs/dbraw/zinc/20/71/65/703207165.db2.gz PRVGIBIZILFHAW-OKZBNKHCSA-N 1 2 325.412 1.912 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)cc1 ZINC000997334207 703562539 /nfs/dbraw/zinc/56/25/39/703562539.db2.gz ILZPQXSAPJZDQO-INIZCTEOSA-N 1 2 348.406 1.068 20 30 EDEDLO Cc1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)cc1C#N ZINC000921640079 703808145 /nfs/dbraw/zinc/80/81/45/703808145.db2.gz LJDFSROHKWAJOC-UHFFFAOYSA-N 1 2 337.445 1.008 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001004220159 704020938 /nfs/dbraw/zinc/02/09/38/704020938.db2.gz ITUIXFYEXOYKNO-CYBMUJFWSA-N 1 2 330.432 1.616 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001033086556 704151904 /nfs/dbraw/zinc/15/19/04/704151904.db2.gz KOBNMFAZMACPFH-OIISXLGYSA-N 1 2 347.463 1.312 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001033086556 704151906 /nfs/dbraw/zinc/15/19/06/704151906.db2.gz KOBNMFAZMACPFH-OIISXLGYSA-N 1 2 347.463 1.312 20 30 EDEDLO C=CC[NH+]1CCC([C@H](C)NC(=O)c2cn[nH]c2-c2cnn(C)c2)CC1 ZINC000997830169 704748623 /nfs/dbraw/zinc/74/86/23/704748623.db2.gz YHOQRYMFUGPARK-ZDUSSCGKSA-N 1 2 342.447 1.827 20 30 EDEDLO O=C(C#CC1CC1)N1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC000944923823 704750563 /nfs/dbraw/zinc/75/05/63/704750563.db2.gz YNDUNYKJESIPHE-UHFFFAOYSA-N 1 2 340.427 1.207 20 30 EDEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC(=O)N2CCCC2)CC1 ZINC001032603031 705421504 /nfs/dbraw/zinc/42/15/04/705421504.db2.gz LWTAVVPXUATTGN-IRXDYDNUSA-N 1 2 331.460 1.640 20 30 EDEDLO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC(=O)N2CCCC2)CC1 ZINC001032603031 705421507 /nfs/dbraw/zinc/42/15/07/705421507.db2.gz LWTAVVPXUATTGN-IRXDYDNUSA-N 1 2 331.460 1.640 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C1 ZINC000998746720 706182162 /nfs/dbraw/zinc/18/21/62/706182162.db2.gz OSCWLQPBXRHRSX-ZJUUUORDSA-N 1 2 345.325 1.415 20 30 EDEDLO CCc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998848590 706276512 /nfs/dbraw/zinc/27/65/12/706276512.db2.gz HIWDIHUTJCIDAW-WCQYABFASA-N 1 2 342.403 1.787 20 30 EDEDLO CCc1noc([C@H](C)[NH2+][C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998848588 706276602 /nfs/dbraw/zinc/27/66/02/706276602.db2.gz HIWDIHUTJCIDAW-AAEUAGOBSA-N 1 2 342.403 1.787 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC000999358912 706848931 /nfs/dbraw/zinc/84/89/31/706848931.db2.gz KVNCWNBBVFYOCR-CQSZACIVSA-N 1 2 329.404 1.760 20 30 EDEDLO C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)CCc1[nH+]ccn1C ZINC001061629191 707370824 /nfs/dbraw/zinc/37/08/24/707370824.db2.gz OCCHVFNTRGGQSW-OAHLLOKOSA-N 1 2 348.447 1.053 20 30 EDEDLO C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001061631300 707417016 /nfs/dbraw/zinc/41/70/16/707417016.db2.gz RYIDERCZNGSCTC-GDBMZVCRSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001061631300 707417019 /nfs/dbraw/zinc/41/70/19/707417019.db2.gz RYIDERCZNGSCTC-GDBMZVCRSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccoc2CC(N)=O)C1 ZINC001033367455 707665311 /nfs/dbraw/zinc/66/53/11/707665311.db2.gz DCALJILGGPAMSS-LLVKDONJSA-N 1 2 325.796 1.206 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccoc2CC(N)=O)C1 ZINC001033367455 707665312 /nfs/dbraw/zinc/66/53/12/707665312.db2.gz DCALJILGGPAMSS-LLVKDONJSA-N 1 2 325.796 1.206 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CCOC2)CC1 ZINC001005160695 707944128 /nfs/dbraw/zinc/94/41/28/707944128.db2.gz IZQBPRUJVVAVGQ-LBPRGKRZSA-N 1 2 331.254 1.854 20 30 EDEDLO C#CCCCC(=O)N1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001060985642 708086131 /nfs/dbraw/zinc/08/61/31/708086131.db2.gz PJTCVPNEYARIGZ-UHFFFAOYSA-N 1 2 342.443 1.597 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001033567716 708214371 /nfs/dbraw/zinc/21/43/71/708214371.db2.gz LWSQAINYOHPAPT-OLZOCXBDSA-N 1 2 339.827 1.138 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001033567716 708214374 /nfs/dbraw/zinc/21/43/74/708214374.db2.gz LWSQAINYOHPAPT-OLZOCXBDSA-N 1 2 339.827 1.138 20 30 EDEDLO Cc1noc([C@H](C)[NH+]2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001005219576 708247259 /nfs/dbraw/zinc/24/72/59/708247259.db2.gz XVFWCKKKUMIMJC-NSHDSACASA-N 1 2 342.403 1.875 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001033579132 708257724 /nfs/dbraw/zinc/25/77/24/708257724.db2.gz FMPOZMDOYMGIDM-UONOGXRCSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001033579132 708257725 /nfs/dbraw/zinc/25/77/25/708257725.db2.gz FMPOZMDOYMGIDM-UONOGXRCSA-N 1 2 327.856 1.530 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(NC(C)=O)c(F)c1 ZINC001032819881 708303345 /nfs/dbraw/zinc/30/33/45/708303345.db2.gz UAQZHGMXPCUSEM-GJZGRUSLSA-N 1 2 329.375 1.706 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(NC(C)=O)c(F)c1 ZINC001032819881 708303349 /nfs/dbraw/zinc/30/33/49/708303349.db2.gz UAQZHGMXPCUSEM-GJZGRUSLSA-N 1 2 329.375 1.706 20 30 EDEDLO CCn1ccnc1C[NH+]1CCC(N(C)C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001005228942 708311185 /nfs/dbraw/zinc/31/11/85/708311185.db2.gz YDCDHGOKUDTTCQ-UHFFFAOYSA-N 1 2 340.431 1.839 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]2C)C1 ZINC001005254208 708397162 /nfs/dbraw/zinc/39/71/62/708397162.db2.gz IWGGNWUHZFAKQH-XJKSGUPXSA-N 1 2 344.459 1.970 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]2C)C1 ZINC001005254210 708397442 /nfs/dbraw/zinc/39/74/42/708397442.db2.gz IWROSDKNEYMGLG-KBPBESRZSA-N 1 2 330.432 1.662 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001033685088 708498493 /nfs/dbraw/zinc/49/84/93/708498493.db2.gz KHZIBCXIFVAEBK-CYBMUJFWSA-N 1 2 343.880 1.812 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001033685088 708498495 /nfs/dbraw/zinc/49/84/95/708498495.db2.gz KHZIBCXIFVAEBK-CYBMUJFWSA-N 1 2 343.880 1.812 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033799220 708712022 /nfs/dbraw/zinc/71/20/22/708712022.db2.gz SNUKDFLCCGJOFL-CQSZACIVSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033799220 708712025 /nfs/dbraw/zinc/71/20/25/708712025.db2.gz SNUKDFLCCGJOFL-CQSZACIVSA-N 1 2 327.388 1.919 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)Cn2cccn2)CC1 ZINC001002341163 708830846 /nfs/dbraw/zinc/83/08/46/708830846.db2.gz GVTJHFLENVTHBL-UHFFFAOYSA-N 1 2 341.390 1.675 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC001002389550 708886319 /nfs/dbraw/zinc/88/63/19/708886319.db2.gz YQJRESMGTJHKCF-UHFFFAOYSA-N 1 2 327.363 1.815 20 30 EDEDLO N#Cc1cnc(N[C@H]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001061107129 709132246 /nfs/dbraw/zinc/13/22/46/709132246.db2.gz HJGZUDGYMXOWLB-RYUDHWBXSA-N 1 2 325.376 1.153 20 30 EDEDLO Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)o1 ZINC001002621533 709181002 /nfs/dbraw/zinc/18/10/02/709181002.db2.gz VLCAZRBTMKHOLK-SNVBAGLBSA-N 1 2 328.376 1.533 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@H](NC(=O)CC)C2)c1 ZINC001034060330 709310799 /nfs/dbraw/zinc/31/07/99/709310799.db2.gz PDEGBYHXXALJNK-KRWDZBQOSA-N 1 2 327.428 1.987 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@H](NC(=O)CC)C2)c1 ZINC001034060330 709310801 /nfs/dbraw/zinc/31/08/01/709310801.db2.gz PDEGBYHXXALJNK-KRWDZBQOSA-N 1 2 327.428 1.987 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001034124766 709359660 /nfs/dbraw/zinc/35/96/60/709359660.db2.gz WYUSFWNMYSEKCU-STQMWFEESA-N 1 2 331.254 1.902 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001034124766 709359663 /nfs/dbraw/zinc/35/96/63/709359663.db2.gz WYUSFWNMYSEKCU-STQMWFEESA-N 1 2 331.254 1.902 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001034124764 709359838 /nfs/dbraw/zinc/35/98/38/709359838.db2.gz WYUSFWNMYSEKCU-OLZOCXBDSA-N 1 2 331.254 1.902 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001034124764 709359840 /nfs/dbraw/zinc/35/98/40/709359840.db2.gz WYUSFWNMYSEKCU-OLZOCXBDSA-N 1 2 331.254 1.902 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034158834 709412265 /nfs/dbraw/zinc/41/22/65/709412265.db2.gz DGVHZNHYMFSEAH-CQSZACIVSA-N 1 2 326.404 1.404 20 30 EDEDLO Cn1ccnc1C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034158834 709412267 /nfs/dbraw/zinc/41/22/67/709412267.db2.gz DGVHZNHYMFSEAH-CQSZACIVSA-N 1 2 326.404 1.404 20 30 EDEDLO Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)co1 ZINC001034164433 709437472 /nfs/dbraw/zinc/43/74/72/709437472.db2.gz RHTMMFCGEGRXKR-CQSZACIVSA-N 1 2 327.388 1.967 20 30 EDEDLO Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)co1 ZINC001034164433 709437474 /nfs/dbraw/zinc/43/74/74/709437474.db2.gz RHTMMFCGEGRXKR-CQSZACIVSA-N 1 2 327.388 1.967 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171449 709485215 /nfs/dbraw/zinc/48/52/15/709485215.db2.gz QCCHCPAZVJLZSV-AWEZNQCLSA-N 1 2 326.404 1.404 20 30 EDEDLO Cn1ccnc1C[N@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171449 709485216 /nfs/dbraw/zinc/48/52/16/709485216.db2.gz QCCHCPAZVJLZSV-AWEZNQCLSA-N 1 2 326.404 1.404 20 30 EDEDLO C=C[C@@H](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001061734748 709597761 /nfs/dbraw/zinc/59/77/61/709597761.db2.gz LUXMEFJFDKDFGK-HOTGVXAUSA-N 1 2 348.447 1.219 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001034320502 709770412 /nfs/dbraw/zinc/77/04/12/709770412.db2.gz YQHVNNMLBZJECX-YHUYYLMFSA-N 1 2 342.867 1.761 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001034320502 709770415 /nfs/dbraw/zinc/77/04/15/709770415.db2.gz YQHVNNMLBZJECX-YHUYYLMFSA-N 1 2 342.867 1.761 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cc(C)on3)C2)nn1 ZINC001034433702 710004931 /nfs/dbraw/zinc/00/49/31/710004931.db2.gz ZVUNMXAORPKJFY-CQSZACIVSA-N 1 2 344.419 1.545 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCCC[N@H+](Cc3cc(C)on3)C2)nn1 ZINC001034433702 710004936 /nfs/dbraw/zinc/00/49/36/710004936.db2.gz ZVUNMXAORPKJFY-CQSZACIVSA-N 1 2 344.419 1.545 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001034546577 710220497 /nfs/dbraw/zinc/22/04/97/710220497.db2.gz KDTMMZVSLZTYJJ-LBPRGKRZSA-N 1 2 336.823 1.517 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001034546577 710220498 /nfs/dbraw/zinc/22/04/98/710220498.db2.gz KDTMMZVSLZTYJJ-LBPRGKRZSA-N 1 2 336.823 1.517 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2C)CC1 ZINC001003485889 710379294 /nfs/dbraw/zinc/37/92/94/710379294.db2.gz RAQIFEWGSBXCSG-GFCCVEGCSA-N 1 2 344.253 1.096 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001003763431 710541393 /nfs/dbraw/zinc/54/13/93/710541393.db2.gz MSMCSBNHHZSBTN-IRXDYDNUSA-N 1 2 347.463 1.267 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)[nH]n2)C1 ZINC001032892776 710633478 /nfs/dbraw/zinc/63/34/78/710633478.db2.gz WFSQXUATOZPGIH-JTQLQIEISA-N 1 2 341.209 1.237 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)[nH]n2)C1 ZINC001032892776 710633481 /nfs/dbraw/zinc/63/34/81/710633481.db2.gz WFSQXUATOZPGIH-JTQLQIEISA-N 1 2 341.209 1.237 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001061794517 710912536 /nfs/dbraw/zinc/91/25/36/710912536.db2.gz MBTVTROONKUUNQ-HUUCEWRRSA-N 1 2 348.447 1.288 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032979463 711102323 /nfs/dbraw/zinc/10/23/23/711102323.db2.gz DFCVQQKUEANRSV-INIZCTEOSA-N 1 2 341.390 1.696 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032979463 711102328 /nfs/dbraw/zinc/10/23/28/711102328.db2.gz DFCVQQKUEANRSV-INIZCTEOSA-N 1 2 341.390 1.696 20 30 EDEDLO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)nnn1C ZINC001032985325 711143779 /nfs/dbraw/zinc/14/37/79/711143779.db2.gz MXEGGMGMZNVVOW-MRXNPFEDSA-N 1 2 338.415 1.342 20 30 EDEDLO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)nnn1C ZINC001032985325 711143781 /nfs/dbraw/zinc/14/37/81/711143781.db2.gz MXEGGMGMZNVVOW-MRXNPFEDSA-N 1 2 338.415 1.342 20 30 EDEDLO Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)nn1C ZINC001033023698 711392381 /nfs/dbraw/zinc/39/23/81/711392381.db2.gz QLJGWKIANUDOGK-INIZCTEOSA-N 1 2 326.404 1.275 20 30 EDEDLO Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)nn1C ZINC001033023698 711392382 /nfs/dbraw/zinc/39/23/82/711392382.db2.gz QLJGWKIANUDOGK-INIZCTEOSA-N 1 2 326.404 1.275 20 30 EDEDLO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC001004073294 711410140 /nfs/dbraw/zinc/41/01/40/711410140.db2.gz RDKOZESDQQRCOE-OAGGEKHMSA-N 1 2 348.406 1.609 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000922516088 711634958 /nfs/dbraw/zinc/63/49/58/711634958.db2.gz SAECGLHIPHINPA-AWEZNQCLSA-N 1 2 339.403 1.473 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cn3c(n2)COCC3)CC1 ZINC001004471676 711847915 /nfs/dbraw/zinc/84/79/15/711847915.db2.gz CNGFVQSQBHMWMS-INIZCTEOSA-N 1 2 343.431 1.253 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cn3c(n2)COCC3)CC1 ZINC001004471676 711847916 /nfs/dbraw/zinc/84/79/16/711847916.db2.gz CNGFVQSQBHMWMS-INIZCTEOSA-N 1 2 343.431 1.253 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001004549148 711959590 /nfs/dbraw/zinc/95/95/90/711959590.db2.gz UTUHSPUMDPXXLT-OWCLPIDISA-N 1 2 332.448 1.115 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001004549148 711959591 /nfs/dbraw/zinc/95/95/91/711959591.db2.gz UTUHSPUMDPXXLT-OWCLPIDISA-N 1 2 332.448 1.115 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC001004622973 712069685 /nfs/dbraw/zinc/06/96/85/712069685.db2.gz OQVRIERGCGMMIG-QGZVFWFLSA-N 1 2 338.415 1.798 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC001004622973 712069687 /nfs/dbraw/zinc/06/96/87/712069687.db2.gz OQVRIERGCGMMIG-QGZVFWFLSA-N 1 2 338.415 1.798 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@H]3CN(CC#N)C[C@H]3CC2)c[nH+]1 ZINC000946640867 712115584 /nfs/dbraw/zinc/11/55/84/712115584.db2.gz VXXWZKMHSGOHQS-IYBDPMFKSA-N 1 2 329.448 1.621 20 30 EDEDLO N#Cc1cnn2cc(CN3CC[NH+](Cc4ccccn4)CC3)cnc12 ZINC000559272504 306252783 /nfs/dbraw/zinc/25/27/83/306252783.db2.gz OQEAIMGLNQGIHC-UHFFFAOYSA-N 1 2 333.399 1.314 20 30 EDEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000328891982 539375880 /nfs/dbraw/zinc/37/58/80/539375880.db2.gz TUOHZASISOUVMD-URLQWDBASA-N 1 2 346.427 1.376 20 30 EDEDLO Cn1cc(C[NH+]2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cn1 ZINC000329094418 539406216 /nfs/dbraw/zinc/40/62/16/539406216.db2.gz BHSXNJAVXAOROM-KRWDZBQOSA-N 1 2 330.436 1.186 20 30 EDEDLO Cc1c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)sc2nccc(C)c12 ZINC000329417055 539435314 /nfs/dbraw/zinc/43/53/14/539435314.db2.gz ZJJRTFJMUGDDAE-CYBMUJFWSA-N 1 2 349.456 1.911 20 30 EDEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCC(=O)N2C)cc1 ZINC000329486726 539438673 /nfs/dbraw/zinc/43/86/73/539438673.db2.gz TVFQGICHJBPCGM-IRXDYDNUSA-N 1 2 345.443 1.946 20 30 EDEDLO CC[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1c(C)nn(C)c1C ZINC000329792976 539465148 /nfs/dbraw/zinc/46/51/48/539465148.db2.gz APVQIBGIAGFCAR-GJZGRUSLSA-N 1 2 336.484 1.237 20 30 EDEDLO CC[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1c(C)nn(C)c1C ZINC000329792976 539465151 /nfs/dbraw/zinc/46/51/51/539465151.db2.gz APVQIBGIAGFCAR-GJZGRUSLSA-N 1 2 336.484 1.237 20 30 EDEDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)NCC1(O)CCC1 ZINC000329857218 539469593 /nfs/dbraw/zinc/46/95/93/539469593.db2.gz VHMDJPCPMIPINH-UHFFFAOYSA-N 1 2 333.432 1.437 20 30 EDEDLO CN1CCC[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000330037003 539490027 /nfs/dbraw/zinc/49/00/27/539490027.db2.gz CXUBYRHPOAULLX-INIZCTEOSA-N 1 2 331.416 1.444 20 30 EDEDLO Cc1ncc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1C#N ZINC000330232148 539514808 /nfs/dbraw/zinc/51/48/08/539514808.db2.gz XFXFTRDNBCKCTO-AWEZNQCLSA-N 1 2 343.412 1.214 20 30 EDEDLO Cc1ncc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C#N ZINC000330232149 539514822 /nfs/dbraw/zinc/51/48/22/539514822.db2.gz XFXFTRDNBCKCTO-CQSZACIVSA-N 1 2 343.412 1.214 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000022778794 202090623 /nfs/dbraw/zinc/09/06/23/202090623.db2.gz NYOLSTFPUHXYEK-INIZCTEOSA-N 1 2 326.444 1.687 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022778794 202090627 /nfs/dbraw/zinc/09/06/27/202090627.db2.gz NYOLSTFPUHXYEK-INIZCTEOSA-N 1 2 326.444 1.687 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1 ZINC000090201847 138277858 /nfs/dbraw/zinc/27/78/58/138277858.db2.gz HSCNPFGLBLLBCW-CABCVRRESA-N 1 2 335.429 1.090 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1 ZINC000090201847 138277859 /nfs/dbraw/zinc/27/78/59/138277859.db2.gz HSCNPFGLBLLBCW-CABCVRRESA-N 1 2 335.429 1.090 20 30 EDEDLO Cc1cc(N(CCC#N)C(=O)C[NH+](CCO)CCO)ccc1Cl ZINC000130130828 237209478 /nfs/dbraw/zinc/20/94/78/237209478.db2.gz BODKODMUTHQDPL-UHFFFAOYSA-N 1 2 339.823 1.182 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000132367073 237230070 /nfs/dbraw/zinc/23/00/70/237230070.db2.gz RNRXSNPLVCDOIM-GOSISDBHSA-N 1 2 343.427 1.375 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCC#Cc2ccccc2)CCO1 ZINC000275464194 201282072 /nfs/dbraw/zinc/28/20/72/201282072.db2.gz XNNZQVGCKHQLMA-WMZOPIPTSA-N 1 2 338.411 1.991 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCCN(c3cnn(C)c3)C2=O)n1 ZINC000279775571 201322566 /nfs/dbraw/zinc/32/25/66/201322566.db2.gz TZTKKZBRAQQPGV-QGZVFWFLSA-N 1 2 340.431 1.267 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCCN(c3cnn(C)c3)C2=O)n1 ZINC000279775571 201322570 /nfs/dbraw/zinc/32/25/70/201322570.db2.gz TZTKKZBRAQQPGV-QGZVFWFLSA-N 1 2 340.431 1.267 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)NCc2cn3ccccc3[nH+]2)n1 ZINC000279274287 201314882 /nfs/dbraw/zinc/31/48/82/201314882.db2.gz SDZRVSRCRLUBOB-UHFFFAOYSA-N 1 2 336.399 1.896 20 30 EDEDLO C[C@@H]1CN(CC[N@H+](C)CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000195318034 139013844 /nfs/dbraw/zinc/01/38/44/139013844.db2.gz GHPFFAJAVJRIIK-GASCZTMLSA-N 1 2 330.432 1.538 20 30 EDEDLO C[C@@H]1CN(CC[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1 ZINC000195318034 139013845 /nfs/dbraw/zinc/01/38/45/139013845.db2.gz GHPFFAJAVJRIIK-GASCZTMLSA-N 1 2 330.432 1.538 20 30 EDEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000129831591 205213900 /nfs/dbraw/zinc/21/39/00/205213900.db2.gz DQOUNIVGLXNVNQ-UHFFFAOYSA-N 1 2 345.790 1.895 20 30 EDEDLO Cc1cccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1C#N ZINC000130458813 205241002 /nfs/dbraw/zinc/24/10/02/205241002.db2.gz LYTUEWOTIUKZMF-UHFFFAOYSA-N 1 2 342.424 1.773 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000155486181 206010284 /nfs/dbraw/zinc/01/02/84/206010284.db2.gz JKSFXXFGHRTDKR-ZDUSSCGKSA-N 1 2 338.371 1.967 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000155486181 206010290 /nfs/dbraw/zinc/01/02/90/206010290.db2.gz JKSFXXFGHRTDKR-ZDUSSCGKSA-N 1 2 338.371 1.967 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)c(C)c2)CC1 ZINC000264899505 249338406 /nfs/dbraw/zinc/33/84/06/249338406.db2.gz LHKADLBHGJULAR-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)c(C)c2)CC1 ZINC000264899505 249338408 /nfs/dbraw/zinc/33/84/08/249338408.db2.gz LHKADLBHGJULAR-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331880364 249925277 /nfs/dbraw/zinc/92/52/77/249925277.db2.gz UZESRVMYHQCRGO-CYBMUJFWSA-N 1 2 345.451 1.305 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)NCCc2ccccc2C)CC1 ZINC000341979498 250004309 /nfs/dbraw/zinc/00/43/09/250004309.db2.gz BFQRBSFPMUFGNF-UHFFFAOYSA-N 1 2 329.444 1.906 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@H](c1nc(C)no1)C1CCOCC1 ZINC000345865295 250036955 /nfs/dbraw/zinc/03/69/55/250036955.db2.gz ZSUCRNQANHADPK-INIZCTEOSA-N 1 2 334.420 1.636 20 30 EDEDLO N#CC1(NC(=O)CN(CC[NH+]2CCOCC2)c2ccccc2)CCC1 ZINC000347040609 250052615 /nfs/dbraw/zinc/05/26/15/250052615.db2.gz AXILOQIYGOVTLN-UHFFFAOYSA-N 1 2 342.443 1.388 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000354443359 250089960 /nfs/dbraw/zinc/08/99/60/250089960.db2.gz JXVAKXKNEXFBGX-UHFFFAOYSA-N 1 2 326.400 1.933 20 30 EDEDLO Cc1cc(Br)cn2c(CN3CC(O)(CC#N)C3)c[nH+]c12 ZINC000354983222 250103935 /nfs/dbraw/zinc/10/39/35/250103935.db2.gz SLDIAGUCKMSRNB-UHFFFAOYSA-N 1 2 335.205 1.866 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000355711843 250120713 /nfs/dbraw/zinc/12/07/13/250120713.db2.gz UQLAQHKTZXJGPV-FZKQIMNGSA-N 1 2 346.431 1.998 20 30 EDEDLO N#C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000360082972 250161138 /nfs/dbraw/zinc/16/11/38/250161138.db2.gz OBFSWXOLXNMZTG-HIFRSBDPSA-N 1 2 329.404 1.410 20 30 EDEDLO N#CCSc1cccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000366474282 250191023 /nfs/dbraw/zinc/19/10/23/250191023.db2.gz NKLLDMVOTKEAKA-OAHLLOKOSA-N 1 2 331.441 1.849 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372465723 250221758 /nfs/dbraw/zinc/22/17/58/250221758.db2.gz WIEOPOOROMLFIG-MJGOQNOKSA-N 1 2 337.508 1.701 20 30 EDEDLO C=CCC[C@H](O)CN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000370495226 250206901 /nfs/dbraw/zinc/20/69/01/250206901.db2.gz SLKOQWMEOYFMOR-WMLDXEAASA-N 1 2 328.416 1.443 20 30 EDEDLO N#C[C@H]1C[N@@H+](CCOCC(F)(F)F)C[C@]12C(=O)Nc1ccccc12 ZINC000374369373 250262555 /nfs/dbraw/zinc/26/25/55/250262555.db2.gz YMCZLMHZBQFZGB-NHYWBVRUSA-N 1 2 339.317 1.911 20 30 EDEDLO N#C[C@H]1C[N@H+](CCOCC(F)(F)F)C[C@]12C(=O)Nc1ccccc12 ZINC000374369373 250262557 /nfs/dbraw/zinc/26/25/57/250262557.db2.gz YMCZLMHZBQFZGB-NHYWBVRUSA-N 1 2 339.317 1.911 20 30 EDEDLO C#CCCCNC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000376226216 250286360 /nfs/dbraw/zinc/28/63/60/250286360.db2.gz MQIOLKALDGTEQN-INIZCTEOSA-N 1 2 339.399 1.239 20 30 EDEDLO C=CCn1c([C@H]2CCCS2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000424128592 252133735 /nfs/dbraw/zinc/13/37/35/252133735.db2.gz RPAOHXTWFXHNAY-LSDHHAIUSA-N 1 2 349.504 1.943 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)nn1 ZINC000424731478 252268191 /nfs/dbraw/zinc/26/81/91/252268191.db2.gz GAPRVESGQYRMRM-UHFFFAOYSA-N 1 2 343.406 1.951 20 30 EDEDLO N#Cc1c(F)cccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000487749601 255033968 /nfs/dbraw/zinc/03/39/68/255033968.db2.gz KYHBSMBBVBBVTE-UHFFFAOYSA-N 1 2 340.358 1.859 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCCO2)CC1 ZINC000491069435 255118223 /nfs/dbraw/zinc/11/82/23/255118223.db2.gz WFDHBLYSUQKJOV-INIZCTEOSA-N 1 2 329.448 1.165 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000491545668 255130681 /nfs/dbraw/zinc/13/06/81/255130681.db2.gz ITWLXZGLTREIGE-SREVYHEPSA-N 1 2 335.411 1.649 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000490877109 255107886 /nfs/dbraw/zinc/10/78/86/255107886.db2.gz WKPBDXGGNOPFGG-CYBMUJFWSA-N 1 2 332.404 1.148 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000490877109 255107888 /nfs/dbraw/zinc/10/78/88/255107888.db2.gz WKPBDXGGNOPFGG-CYBMUJFWSA-N 1 2 332.404 1.148 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(OC)c(C(C)=O)c2)CC1 ZINC000490936362 255110542 /nfs/dbraw/zinc/11/05/42/255110542.db2.gz QFFKCZZYGOATKF-UHFFFAOYSA-N 1 2 330.384 1.054 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000491633700 255134909 /nfs/dbraw/zinc/13/49/09/255134909.db2.gz SQCOUUHOOROYOP-UHFFFAOYSA-N 1 2 329.444 1.341 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000491674790 255139334 /nfs/dbraw/zinc/13/93/34/255139334.db2.gz YBBIUGWAYUOOBB-UHFFFAOYSA-N 1 2 330.819 1.079 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCCC2(F)F)CC1 ZINC000491727890 255145750 /nfs/dbraw/zinc/14/57/50/255145750.db2.gz LSNAMJZVQQZSDI-CQSZACIVSA-N 1 2 341.402 1.096 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCCC2(F)F)CC1 ZINC000491727890 255145752 /nfs/dbraw/zinc/14/57/52/255145752.db2.gz LSNAMJZVQQZSDI-CQSZACIVSA-N 1 2 341.402 1.096 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)Nc2cc[nH+]cc2C)n1 ZINC000491808938 255148412 /nfs/dbraw/zinc/14/84/12/255148412.db2.gz WFARBEKGOBDDKZ-UHFFFAOYSA-N 1 2 327.388 1.322 20 30 EDEDLO C[C@@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)n1cc[nH+]c1 ZINC000496290994 255376198 /nfs/dbraw/zinc/37/61/98/255376198.db2.gz FHPCSSQCEMFRGN-UONOGXRCSA-N 1 2 347.419 1.806 20 30 EDEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000496314254 255379734 /nfs/dbraw/zinc/37/97/34/255379734.db2.gz RLDSXCVOKMOPKP-MKBNYLNASA-N 1 2 326.441 1.496 20 30 EDEDLO CN(C)c1ncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC000271097220 140236205 /nfs/dbraw/zinc/23/62/05/140236205.db2.gz MLPCQFJEKSRPEL-UHFFFAOYSA-N 1 2 340.406 1.876 20 30 EDEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(=O)[nH]1 ZINC000271999667 140385543 /nfs/dbraw/zinc/38/55/43/140385543.db2.gz KCNJCJHPEOFKBL-UHFFFAOYSA-N 1 2 336.395 1.925 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000331448858 141031009 /nfs/dbraw/zinc/03/10/09/141031009.db2.gz CJGHKHNOXIHMRY-LBTNJELSSA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000331448858 141031010 /nfs/dbraw/zinc/03/10/10/141031010.db2.gz CJGHKHNOXIHMRY-LBTNJELSSA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+]1CCOCC1 ZINC000332566182 141204749 /nfs/dbraw/zinc/20/47/49/141204749.db2.gz ZNHGIBZLDQHJMJ-OAHLLOKOSA-N 1 2 343.427 1.649 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000345431909 143090530 /nfs/dbraw/zinc/09/05/30/143090530.db2.gz PFGMYPDUIFILGD-OAGGEKHMSA-N 1 2 345.443 1.893 20 30 EDEDLO COc1cc(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1C#N ZINC000357772779 151147053 /nfs/dbraw/zinc/14/70/53/151147053.db2.gz CVSPRWKYQQIZAK-ZIAGYGMSSA-N 1 2 346.431 1.475 20 30 EDEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000285594100 286337324 /nfs/dbraw/zinc/33/73/24/286337324.db2.gz UCQYKNSATHNKBW-PCYIUTIASA-N 1 2 340.445 1.928 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(CCS(=O)(=O)c1ccc(C#N)cc1)C2 ZINC000364052300 153133476 /nfs/dbraw/zinc/13/34/76/153133476.db2.gz BJUCJVWVXQWLEX-UHFFFAOYSA-N 1 2 344.440 1.661 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)CCO2)c1 ZINC000367129549 154017978 /nfs/dbraw/zinc/01/79/78/154017978.db2.gz UCOHIFCEHVEPGF-INIZCTEOSA-N 1 2 335.367 1.468 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cc(=O)n4nccc4[nH]3)CCO2)c1 ZINC000367129549 154017981 /nfs/dbraw/zinc/01/79/81/154017981.db2.gz UCOHIFCEHVEPGF-INIZCTEOSA-N 1 2 335.367 1.468 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000367540223 154167027 /nfs/dbraw/zinc/16/70/27/154167027.db2.gz JKGUVZKHHVXAAV-GOSISDBHSA-N 1 2 329.400 1.056 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000367540223 154167032 /nfs/dbraw/zinc/16/70/32/154167032.db2.gz JKGUVZKHHVXAAV-GOSISDBHSA-N 1 2 329.400 1.056 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCc1ccc(C#N)cc1 ZINC000367742384 154251418 /nfs/dbraw/zinc/25/14/18/154251418.db2.gz UJYAWGDNHRYEBP-YJBOKZPZSA-N 1 2 327.428 1.812 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC000369598263 155104152 /nfs/dbraw/zinc/10/41/52/155104152.db2.gz XHJKHUQHSJMAHD-NJAFHUGGSA-N 1 2 344.411 1.368 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC000369598263 155104154 /nfs/dbraw/zinc/10/41/54/155104154.db2.gz XHJKHUQHSJMAHD-NJAFHUGGSA-N 1 2 344.411 1.368 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@]34CCOC4)CC2)cc1 ZINC000372052240 156225816 /nfs/dbraw/zinc/22/58/16/156225816.db2.gz BUYVGLYWLWNWOQ-PKOBYXMFSA-N 1 2 325.412 1.629 20 30 EDEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000373798842 157010453 /nfs/dbraw/zinc/01/04/53/157010453.db2.gz TURAQACRFPFTFH-SFHVURJKSA-N 1 2 329.400 1.767 20 30 EDEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000373798842 157010457 /nfs/dbraw/zinc/01/04/57/157010457.db2.gz TURAQACRFPFTFH-SFHVURJKSA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374384184 157270340 /nfs/dbraw/zinc/27/03/40/157270340.db2.gz HOKGTAPZKKVXCJ-RDTXWAMCSA-N 1 2 336.395 1.894 20 30 EDEDLO CN1CCN(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)C(=O)C1 ZINC000374725812 157378424 /nfs/dbraw/zinc/37/84/24/157378424.db2.gz KBFQMLURXZSVJW-UHFFFAOYSA-N 1 2 330.407 1.436 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3cc(C#N)ccc3F)C[C@@H]21 ZINC000408021047 158243483 /nfs/dbraw/zinc/24/34/83/158243483.db2.gz GDPMDZGLVBXGQU-JKSUJKDBSA-N 1 2 332.379 1.312 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3cc(C#N)ccc3F)C[C@@H]21 ZINC000408021047 158243484 /nfs/dbraw/zinc/24/34/84/158243484.db2.gz GDPMDZGLVBXGQU-JKSUJKDBSA-N 1 2 332.379 1.312 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4n(n3)CCO4)CC2)cc1 ZINC000289531058 270010384 /nfs/dbraw/zinc/01/03/84/270010384.db2.gz BVGGGLAEXOGWPN-UHFFFAOYSA-N 1 2 337.383 1.105 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459284691 270013950 /nfs/dbraw/zinc/01/39/50/270013950.db2.gz BAXRJNXWQCPUJH-UHFFFAOYSA-N 1 2 336.399 1.648 20 30 EDEDLO N#Cc1ncn(CCNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000493025014 270014871 /nfs/dbraw/zinc/01/48/71/270014871.db2.gz ODYCLLJUFSTAPG-ZZXKWVIFSA-N 1 2 333.355 1.165 20 30 EDEDLO Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)c(C#N)cc1N(C)C ZINC000331232937 267333643 /nfs/dbraw/zinc/33/36/43/267333643.db2.gz JJCZDUKHJCFSBJ-CQSZACIVSA-N 1 2 345.447 1.979 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000289953051 268067927 /nfs/dbraw/zinc/06/79/27/268067927.db2.gz QHVVCTUKKADMHV-MRXNPFEDSA-N 1 2 343.818 1.971 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000289953051 268067929 /nfs/dbraw/zinc/06/79/29/268067929.db2.gz QHVVCTUKKADMHV-MRXNPFEDSA-N 1 2 343.818 1.971 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000332266148 268084281 /nfs/dbraw/zinc/08/42/81/268084281.db2.gz GUADKNHZHFSBKT-ROUUACIJSA-N 1 2 338.411 1.174 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(C(F)F)C2)c(C#N)c1C ZINC000451435798 268104345 /nfs/dbraw/zinc/10/43/45/268104345.db2.gz RESNUSZZUZRSCE-RFAUZJTJSA-N 1 2 327.331 1.797 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@](O)(C(F)F)C2)c(C#N)c1C ZINC000451435798 268104347 /nfs/dbraw/zinc/10/43/47/268104347.db2.gz RESNUSZZUZRSCE-RFAUZJTJSA-N 1 2 327.331 1.797 20 30 EDEDLO N#Cc1ccc(N2CCC(C(=O)NCc3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000285923199 268105513 /nfs/dbraw/zinc/10/55/13/268105513.db2.gz LIBPWINMXYRGKJ-UHFFFAOYSA-N 1 2 327.363 1.953 20 30 EDEDLO N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000283898537 268248604 /nfs/dbraw/zinc/24/86/04/268248604.db2.gz HVIPRKSNGOROAS-OAHLLOKOSA-N 1 2 337.383 1.304 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c1 ZINC000295297413 268265805 /nfs/dbraw/zinc/26/58/05/268265805.db2.gz JTZKYXQURBVIAL-LBPRGKRZSA-N 1 2 327.344 1.053 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c1 ZINC000295297413 268265807 /nfs/dbraw/zinc/26/58/07/268265807.db2.gz JTZKYXQURBVIAL-LBPRGKRZSA-N 1 2 327.344 1.053 20 30 EDEDLO N#Cc1cccc(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000530672119 268275277 /nfs/dbraw/zinc/27/52/77/268275277.db2.gz KHVBANPWWFUOMQ-SFHVURJKSA-N 1 2 345.468 1.425 20 30 EDEDLO N#Cc1cnc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000427936174 268308711 /nfs/dbraw/zinc/30/87/11/268308711.db2.gz BHWZJKMMQGJOKQ-UHFFFAOYSA-N 1 2 341.802 1.960 20 30 EDEDLO CCN1CCN(CC(=O)Nc2sccc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000525827822 269655364 /nfs/dbraw/zinc/65/53/64/269655364.db2.gz GMFWDNDSUFMWNQ-ZDUSSCGKSA-N 1 2 344.444 1.660 20 30 EDEDLO CC(C)[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)N1CCCS1(=O)=O ZINC000330332001 280133614 /nfs/dbraw/zinc/13/36/14/280133614.db2.gz XSTRVTYTIACOJC-GXTWGEPZSA-N 1 2 340.449 1.215 20 30 EDEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1(C)C ZINC000329299467 294007200 /nfs/dbraw/zinc/00/72/00/294007200.db2.gz UXYBJNUJCZCLPJ-DGXTUMSLSA-N 1 2 339.480 1.755 20 30 EDEDLO C=CCOc1ccc(CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000456218643 447335758 /nfs/dbraw/zinc/33/57/58/447335758.db2.gz SIODQMRHWIAWLE-HDICACEKSA-N 1 2 330.428 1.773 20 30 EDEDLO C=CCOc1ccc(CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000456218643 447335759 /nfs/dbraw/zinc/33/57/59/447335759.db2.gz SIODQMRHWIAWLE-HDICACEKSA-N 1 2 330.428 1.773 20 30 EDEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC000547824770 306112499 /nfs/dbraw/zinc/11/24/99/306112499.db2.gz JUOOTEAIBMAYAL-RDJZCZTQSA-N 1 2 341.459 1.770 20 30 EDEDLO Cn1[nH]c(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)nc1=O ZINC000552189645 306177391 /nfs/dbraw/zinc/17/73/91/306177391.db2.gz QPYZQJMGGSAUTQ-UHFFFAOYSA-N 1 2 331.351 1.163 20 30 EDEDLO Cc1ccccc1N1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000006982892 441028280 /nfs/dbraw/zinc/02/82/80/441028280.db2.gz RACYIAZRUWDLGO-LJQANCHMSA-N 1 2 326.444 1.926 20 30 EDEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2ccon2)CC1 ZINC000046086780 441080219 /nfs/dbraw/zinc/08/02/19/441080219.db2.gz QGHAAAWBWYZIKY-UHFFFAOYSA-N 1 2 325.372 1.697 20 30 EDEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2ccon2)CC1 ZINC000046086780 441080221 /nfs/dbraw/zinc/08/02/21/441080221.db2.gz QGHAAAWBWYZIKY-UHFFFAOYSA-N 1 2 325.372 1.697 20 30 EDEDLO C#CC[NH+]1CCN(Cn2ncn(-c3ccc(OC)nc3)c2=S)CC1 ZINC000103457660 441182399 /nfs/dbraw/zinc/18/23/99/441182399.db2.gz RWENXRHPUIULPN-UHFFFAOYSA-N 1 2 344.444 1.015 20 30 EDEDLO C#CC[N@@H+](CCC(=O)Nc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000104092817 441188824 /nfs/dbraw/zinc/18/88/24/441188824.db2.gz VUDOQKCYHCEJBC-ZDUSSCGKSA-N 1 2 338.404 1.277 20 30 EDEDLO C#CC[N@H+](CCC(=O)Nc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000104092817 441188826 /nfs/dbraw/zinc/18/88/26/441188826.db2.gz VUDOQKCYHCEJBC-ZDUSSCGKSA-N 1 2 338.404 1.277 20 30 EDEDLO COCC[NH+]1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000047841739 441229596 /nfs/dbraw/zinc/22/95/96/441229596.db2.gz AXFYDXVJGRSNIQ-UHFFFAOYSA-N 1 2 333.457 1.582 20 30 EDEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)NC1CCN(C(C)=O)CC1 ZINC000072692882 441250908 /nfs/dbraw/zinc/25/09/08/441250908.db2.gz SGXRBOAZLWLMLN-UHFFFAOYSA-N 1 2 336.480 1.765 20 30 EDEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)NC1CCN(C(C)=O)CC1 ZINC000072692882 441250913 /nfs/dbraw/zinc/25/09/13/441250913.db2.gz SGXRBOAZLWLMLN-UHFFFAOYSA-N 1 2 336.480 1.765 20 30 EDEDLO N#Cc1cccc(NC(=O)CN2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000072767976 441257380 /nfs/dbraw/zinc/25/73/80/441257380.db2.gz OJSIFLKYXRQQDN-KRWDZBQOSA-N 1 2 328.416 1.293 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCO[C@H]3CCC[C@@H]32)cc1 ZINC000081514955 441280054 /nfs/dbraw/zinc/28/00/54/441280054.db2.gz CRPKEZVZGLOYGC-IRXDYDNUSA-N 1 2 334.441 1.975 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCO[C@H]3CCC[C@@H]32)cc1 ZINC000081514955 441280057 /nfs/dbraw/zinc/28/00/57/441280057.db2.gz CRPKEZVZGLOYGC-IRXDYDNUSA-N 1 2 334.441 1.975 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090658 441383327 /nfs/dbraw/zinc/38/33/27/441383327.db2.gz YOYMNUBKQBPBKO-KBPBESRZSA-N 1 2 329.466 1.036 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090658 441383329 /nfs/dbraw/zinc/38/33/29/441383329.db2.gz YOYMNUBKQBPBKO-KBPBESRZSA-N 1 2 329.466 1.036 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000050959224 441393773 /nfs/dbraw/zinc/39/37/73/441393773.db2.gz SJJVMKYTJWNORG-UHFFFAOYSA-N 1 2 339.386 1.708 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000083560539 441363577 /nfs/dbraw/zinc/36/35/77/441363577.db2.gz VEWUQFRNHZVMQI-OAHLLOKOSA-N 1 2 332.404 1.024 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc2ccccn2c1 ZINC000074250340 441412061 /nfs/dbraw/zinc/41/20/61/441412061.db2.gz BTHKHCFAQGCPHZ-UHFFFAOYSA-N 1 2 326.400 1.627 20 30 EDEDLO CC(=O)N1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000028749101 441436791 /nfs/dbraw/zinc/43/67/91/441436791.db2.gz VXKDVFKMYSYEHK-QGZVFWFLSA-N 1 2 326.400 1.218 20 30 EDEDLO CC(=O)N1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000028749101 441436795 /nfs/dbraw/zinc/43/67/95/441436795.db2.gz VXKDVFKMYSYEHK-QGZVFWFLSA-N 1 2 326.400 1.218 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3cn[nH]c(=O)c3Cl)CC2)cc1 ZINC000029842925 441475554 /nfs/dbraw/zinc/47/55/54/441475554.db2.gz JOUQJDLGUKOQTF-UHFFFAOYSA-N 1 2 329.791 1.617 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000052836151 441478526 /nfs/dbraw/zinc/47/85/26/441478526.db2.gz QLWRMLBXBNFCBB-INIZCTEOSA-N 1 2 328.416 1.312 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000052836151 441478528 /nfs/dbraw/zinc/47/85/28/441478528.db2.gz QLWRMLBXBNFCBB-INIZCTEOSA-N 1 2 328.416 1.312 20 30 EDEDLO C=CC[N@@H+](CC(=O)NC1CCN(C(C)=O)CC1)Cc1cccs1 ZINC000053099619 441498319 /nfs/dbraw/zinc/49/83/19/441498319.db2.gz BSYNFALPWMBQEA-UHFFFAOYSA-N 1 2 335.473 1.863 20 30 EDEDLO C=CC[N@H+](CC(=O)NC1CCN(C(C)=O)CC1)Cc1cccs1 ZINC000053099619 441498323 /nfs/dbraw/zinc/49/83/23/441498323.db2.gz BSYNFALPWMBQEA-UHFFFAOYSA-N 1 2 335.473 1.863 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000052441459 441451100 /nfs/dbraw/zinc/45/11/00/441451100.db2.gz KAYUVGDUNQCCNN-UHFFFAOYSA-N 1 2 327.226 1.523 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000053506770 441526851 /nfs/dbraw/zinc/52/68/51/441526851.db2.gz XOVBAUUSZGEUJA-KRWDZBQOSA-N 1 2 328.416 1.564 20 30 EDEDLO COc1ccccc1C[NH+]1CCN(S(=O)(=O)CCCC#N)CC1 ZINC000111339198 441534541 /nfs/dbraw/zinc/53/45/41/441534541.db2.gz ZPPFLWFBUMVBGK-UHFFFAOYSA-N 1 2 337.445 1.446 20 30 EDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000066469177 441534673 /nfs/dbraw/zinc/53/46/73/441534673.db2.gz PUGFYWRIOHTQOT-CABCVRRESA-N 1 2 330.432 1.521 20 30 EDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000066469177 441534677 /nfs/dbraw/zinc/53/46/77/441534677.db2.gz PUGFYWRIOHTQOT-CABCVRRESA-N 1 2 330.432 1.521 20 30 EDEDLO COCC[N@H+](CCOc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066493319 441539456 /nfs/dbraw/zinc/53/94/56/441539456.db2.gz OTQYBUDCOGPHBT-OAHLLOKOSA-N 1 2 338.429 1.073 20 30 EDEDLO COCC[N@@H+](CCOc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066493319 441539460 /nfs/dbraw/zinc/53/94/60/441539460.db2.gz OTQYBUDCOGPHBT-OAHLLOKOSA-N 1 2 338.429 1.073 20 30 EDEDLO C#CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538744 441542244 /nfs/dbraw/zinc/54/22/44/441542244.db2.gz KOJLBWIXWLEJQJ-MRXNPFEDSA-N 1 2 345.424 1.009 20 30 EDEDLO C#CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538744 441542246 /nfs/dbraw/zinc/54/22/46/441542246.db2.gz KOJLBWIXWLEJQJ-MRXNPFEDSA-N 1 2 345.424 1.009 20 30 EDEDLO C#CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066538745 441542419 /nfs/dbraw/zinc/54/24/19/441542419.db2.gz KOJLBWIXWLEJQJ-INIZCTEOSA-N 1 2 345.424 1.009 20 30 EDEDLO C#CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066538745 441542421 /nfs/dbraw/zinc/54/24/21/441542421.db2.gz KOJLBWIXWLEJQJ-INIZCTEOSA-N 1 2 345.424 1.009 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2ccccc2F)CC1 ZINC000112904671 441565769 /nfs/dbraw/zinc/56/57/69/441565769.db2.gz UXRUZNIKOCHAKR-HNNXBMFYSA-N 1 2 345.418 1.213 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccccc2F)CC1 ZINC000112904671 441565775 /nfs/dbraw/zinc/56/57/75/441565775.db2.gz UXRUZNIKOCHAKR-HNNXBMFYSA-N 1 2 345.418 1.213 20 30 EDEDLO N#CCOc1cccc(CC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000089828190 441583849 /nfs/dbraw/zinc/58/38/49/441583849.db2.gz DXRVNAUFHGEJEY-KRWDZBQOSA-N 1 2 329.400 1.111 20 30 EDEDLO N#CCOc1cccc(CC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000089828190 441583852 /nfs/dbraw/zinc/58/38/52/441583852.db2.gz DXRVNAUFHGEJEY-KRWDZBQOSA-N 1 2 329.400 1.111 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000055060247 441615563 /nfs/dbraw/zinc/61/55/63/441615563.db2.gz OFLXTPBMENMJQS-SFHVURJKSA-N 1 2 346.431 1.482 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000055060247 441615566 /nfs/dbraw/zinc/61/55/66/441615566.db2.gz OFLXTPBMENMJQS-SFHVURJKSA-N 1 2 346.431 1.482 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000067346120 441629737 /nfs/dbraw/zinc/62/97/37/441629737.db2.gz SIYFEUIGUQSCCQ-AWEZNQCLSA-N 1 2 347.415 1.027 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ncccc2F)CC1 ZINC000090631155 441638896 /nfs/dbraw/zinc/63/88/96/441638896.db2.gz QCOARMZSAYZCGA-OAHLLOKOSA-N 1 2 332.423 1.932 20 30 EDEDLO CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccoc1 ZINC000091554107 441712351 /nfs/dbraw/zinc/71/23/51/441712351.db2.gz HBTRWOKIDJEIJN-QGZVFWFLSA-N 1 2 332.448 1.794 20 30 EDEDLO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccoc1 ZINC000091554107 441712356 /nfs/dbraw/zinc/71/23/56/441712356.db2.gz HBTRWOKIDJEIJN-QGZVFWFLSA-N 1 2 332.448 1.794 20 30 EDEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)COC3CCOCC3)C2)cc1 ZINC000158572336 441746374 /nfs/dbraw/zinc/74/63/74/441746374.db2.gz RVFWMJJIMUAJNK-HNNXBMFYSA-N 1 2 332.400 1.178 20 30 EDEDLO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCC#Cc1ccccc1 ZINC000042287918 441721155 /nfs/dbraw/zinc/72/11/55/441721155.db2.gz DHCNESDLIOYURZ-UHFFFAOYSA-N 1 2 334.423 1.372 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000122385223 441847696 /nfs/dbraw/zinc/84/76/96/441847696.db2.gz RHDDOCYMJUCVGB-UHFFFAOYSA-N 1 2 346.431 1.845 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000122385223 441847699 /nfs/dbraw/zinc/84/76/99/441847699.db2.gz RHDDOCYMJUCVGB-UHFFFAOYSA-N 1 2 346.431 1.845 20 30 EDEDLO C[C@@](C#N)(NC(=O)CN1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000161187164 441968160 /nfs/dbraw/zinc/96/81/60/441968160.db2.gz GGLMPJHPONSDTJ-SFHVURJKSA-N 1 2 327.432 1.008 20 30 EDEDLO Cc1cc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc[nH+]1 ZINC000120341833 442053001 /nfs/dbraw/zinc/05/30/01/442053001.db2.gz FYWOXLOHJWOVBQ-UHFFFAOYSA-N 1 2 329.381 1.815 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175923324 442146558 /nfs/dbraw/zinc/14/65/58/442146558.db2.gz OVXDQXIKBOOMMK-UONOGXRCSA-N 1 2 348.472 1.361 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175923324 442146561 /nfs/dbraw/zinc/14/65/61/442146561.db2.gz OVXDQXIKBOOMMK-UONOGXRCSA-N 1 2 348.472 1.361 20 30 EDEDLO CCCN(C(=O)c1cccs1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC000132024380 442385440 /nfs/dbraw/zinc/38/54/40/442385440.db2.gz XUFKJWNIJAEABG-UHFFFAOYSA-N 1 2 348.472 1.704 20 30 EDEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cc(C#N)ccc1F ZINC000171938583 442392503 /nfs/dbraw/zinc/39/25/03/442392503.db2.gz IWGAMDRITGPQKW-UHFFFAOYSA-N 1 2 335.379 1.005 20 30 EDEDLO N#CCCN(C(=O)CCC(=O)NCCc1[nH]cc[nH+]1)c1ccccc1 ZINC000172992231 442579612 /nfs/dbraw/zinc/57/96/12/442579612.db2.gz MMDZPXBEQMLFEX-UHFFFAOYSA-N 1 2 339.399 1.795 20 30 EDEDLO N#CC1(CS(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000180387363 442592196 /nfs/dbraw/zinc/59/21/96/442592196.db2.gz VPTYDIUUPBHWJA-UHFFFAOYSA-N 1 2 341.477 1.245 20 30 EDEDLO C=CCNC(=O)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000180465694 442606083 /nfs/dbraw/zinc/60/60/83/442606083.db2.gz WKAGFIGSVMAHAS-UHFFFAOYSA-N 1 2 331.351 1.113 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000192235569 442620521 /nfs/dbraw/zinc/62/05/21/442620521.db2.gz WPBICDSFYVMYPW-UHFFFAOYSA-N 1 2 341.242 1.602 20 30 EDEDLO C#CC[N@H+](C)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000192235569 442620524 /nfs/dbraw/zinc/62/05/24/442620524.db2.gz WPBICDSFYVMYPW-UHFFFAOYSA-N 1 2 341.242 1.602 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000192542070 442660528 /nfs/dbraw/zinc/66/05/28/442660528.db2.gz JONNAJIFWYZYJQ-CQSZACIVSA-N 1 2 333.407 1.090 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000192633390 442671140 /nfs/dbraw/zinc/67/11/40/442671140.db2.gz PDRGCPCSOQDJLG-OAHLLOKOSA-N 1 2 349.479 1.407 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182231407 442747930 /nfs/dbraw/zinc/74/79/30/442747930.db2.gz NLHHNMFUXBHEDG-CYBMUJFWSA-N 1 2 348.413 1.953 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182231407 442747932 /nfs/dbraw/zinc/74/79/32/442747932.db2.gz NLHHNMFUXBHEDG-CYBMUJFWSA-N 1 2 348.413 1.953 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193768876 442783455 /nfs/dbraw/zinc/78/34/55/442783455.db2.gz VSOMDNDIOFCFOQ-INIZCTEOSA-N 1 2 339.443 1.664 20 30 EDEDLO CNc1[nH+]cnc2c1cnn2Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000194427903 442895143 /nfs/dbraw/zinc/89/51/43/442895143.db2.gz OFKAPQATEUYNQN-UHFFFAOYSA-N 1 2 332.327 1.838 20 30 EDEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000248497058 442897148 /nfs/dbraw/zinc/89/71/48/442897148.db2.gz JZLZVPDIPMSWPU-WBVHZDCISA-N 1 2 332.400 1.716 20 30 EDEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000248497058 442897153 /nfs/dbraw/zinc/89/71/53/442897153.db2.gz JZLZVPDIPMSWPU-WBVHZDCISA-N 1 2 332.400 1.716 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C(C)C)s2)CC1 ZINC000183731836 442956444 /nfs/dbraw/zinc/95/64/44/442956444.db2.gz RNNIURHEMFPURL-UHFFFAOYSA-N 1 2 347.484 1.769 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C(C)C)s2)CC1 ZINC000183731836 442956448 /nfs/dbraw/zinc/95/64/48/442956448.db2.gz RNNIURHEMFPURL-UHFFFAOYSA-N 1 2 347.484 1.769 20 30 EDEDLO C=CC[C@H](CO)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000185701393 443240509 /nfs/dbraw/zinc/24/05/09/443240509.db2.gz HHEHOYFSWNUENG-GDBMZVCRSA-N 1 2 335.423 1.389 20 30 EDEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000245793734 443249398 /nfs/dbraw/zinc/24/93/98/443249398.db2.gz DGIUMACHQGOYTC-LPHOPBHVSA-N 1 2 340.427 1.532 20 30 EDEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000245793734 443249402 /nfs/dbraw/zinc/24/94/02/443249402.db2.gz DGIUMACHQGOYTC-LPHOPBHVSA-N 1 2 340.427 1.532 20 30 EDEDLO CN(C)C(=O)c1ccc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272502460 443342828 /nfs/dbraw/zinc/34/28/28/443342828.db2.gz DSVUTXRDLXIYFC-UHFFFAOYSA-N 1 2 328.416 1.953 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270617017 443476040 /nfs/dbraw/zinc/47/60/40/443476040.db2.gz FLDRIPZXHYWGDA-KGLIPLIRSA-N 1 2 329.404 1.064 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270617017 443476042 /nfs/dbraw/zinc/47/60/42/443476042.db2.gz FLDRIPZXHYWGDA-KGLIPLIRSA-N 1 2 329.404 1.064 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279048494 443501483 /nfs/dbraw/zinc/50/14/83/443501483.db2.gz RBVREUSZZFYPRZ-ZDUSSCGKSA-N 1 2 340.383 1.664 20 30 EDEDLO Cn1cc([C@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)cn1 ZINC000267608257 443512728 /nfs/dbraw/zinc/51/27/28/443512728.db2.gz NELPVFKDHRPOFD-FUHWJXTLSA-N 1 2 342.399 1.105 20 30 EDEDLO Cn1cc([C@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)cn1 ZINC000267608257 443512732 /nfs/dbraw/zinc/51/27/32/443512732.db2.gz NELPVFKDHRPOFD-FUHWJXTLSA-N 1 2 342.399 1.105 20 30 EDEDLO Cc1cc(NC(=O)NCc2cn3c([nH+]2)CCCC3)nn1CCC#N ZINC000272038336 443523080 /nfs/dbraw/zinc/52/30/80/443523080.db2.gz FLXAWNDZNALVMG-UHFFFAOYSA-N 1 2 327.392 1.960 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000273083912 443534799 /nfs/dbraw/zinc/53/47/99/443534799.db2.gz JNFCDUZTWWKPDL-CYBMUJFWSA-N 1 2 349.456 1.959 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+]([C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC000273192799 443559143 /nfs/dbraw/zinc/55/91/43/443559143.db2.gz JNXOHIQNNPAIPU-KRWDZBQOSA-N 1 2 335.411 1.172 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000265234888 443579492 /nfs/dbraw/zinc/57/94/92/443579492.db2.gz YZXKSYCKJYFIJL-UHFFFAOYSA-N 1 2 331.416 1.172 20 30 EDEDLO C[C@@H](NC(=O)CO[NH+]=C(N)CCO)c1ccc(OC(F)(F)F)cc1 ZINC000275487294 443628862 /nfs/dbraw/zinc/62/88/62/443628862.db2.gz OGAGGCYRFVZSBC-SECBINFHSA-N 1 2 349.309 1.434 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N2CCc3cc(F)ccc32)CC1 ZINC000283456911 443638846 /nfs/dbraw/zinc/63/88/46/443638846.db2.gz ZYCSQWJFSLOLOQ-UHFFFAOYSA-N 1 2 344.390 1.161 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C[C@H](O)CC(F)(F)F)CC2)cc1 ZINC000276381747 443694038 /nfs/dbraw/zinc/69/40/38/443694038.db2.gz QNXSLGORIJZUSK-OAHLLOKOSA-N 1 2 327.350 1.989 20 30 EDEDLO COc1cc(/C=C/C(=O)N2CCn3c[nH+]cc3C2)ccc1OCC#N ZINC000290913649 443709606 /nfs/dbraw/zinc/70/96/06/443709606.db2.gz JJFNRHPGSSYKTC-HWKANZROSA-N 1 2 338.367 1.850 20 30 EDEDLO CCOC1CC(CNc2nc(C)cc(C#N)n2)([NH+]2CCOCC2)C1 ZINC000287630265 443753081 /nfs/dbraw/zinc/75/30/81/443753081.db2.gz HCPDVBQRERRTKB-UHFFFAOYSA-N 1 2 331.420 1.339 20 30 EDEDLO NC(=[NH+]OCC(=O)Nc1ccc(OC(F)F)cc1)[C@H]1CCCO1 ZINC000283886477 443755630 /nfs/dbraw/zinc/75/56/30/443755630.db2.gz CUNCJNZFBGSFON-LLVKDONJSA-N 1 2 329.303 1.694 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000287883878 443759668 /nfs/dbraw/zinc/75/96/68/443759668.db2.gz OHUOYMAKOIVOHE-HOTGVXAUSA-N 1 2 330.407 1.112 20 30 EDEDLO Cc1nsc(N2CCN(C(=O)NCc3c[nH+]cn3C)CC2)c1C#N ZINC000292029235 443773596 /nfs/dbraw/zinc/77/35/96/443773596.db2.gz PZIIOXDOMIYDSS-UHFFFAOYSA-N 1 2 345.432 1.089 20 30 EDEDLO CCN(CC)c1ccc(CNC(=O)C(=O)NCCCCC#N)c[nH+]1 ZINC000284466304 443775514 /nfs/dbraw/zinc/77/55/14/443775514.db2.gz NTBBELUQYVIBEX-UHFFFAOYSA-N 1 2 331.420 1.354 20 30 EDEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000298620314 443819278 /nfs/dbraw/zinc/81/92/78/443819278.db2.gz URVWONHOSNIEKY-WBVHZDCISA-N 1 2 327.428 1.234 20 30 EDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000298620314 443819283 /nfs/dbraw/zinc/81/92/83/443819283.db2.gz URVWONHOSNIEKY-WBVHZDCISA-N 1 2 327.428 1.234 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(Cl)cc2)C1=O ZINC000281348068 443886533 /nfs/dbraw/zinc/88/65/33/443886533.db2.gz MYIBCPSMAACXEE-OAHLLOKOSA-N 1 2 335.835 1.675 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(Cl)cc2)C1=O ZINC000281348068 443886537 /nfs/dbraw/zinc/88/65/37/443886537.db2.gz MYIBCPSMAACXEE-OAHLLOKOSA-N 1 2 335.835 1.675 20 30 EDEDLO COc1cccc(/C=[NH+]/C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1O ZINC000285187348 443887767 /nfs/dbraw/zinc/88/77/67/443887767.db2.gz DHFLJUUAAHSMKP-MVCPHERQSA-N 1 2 340.445 1.928 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccnn2C(C)C)C1=O ZINC000281356592 443889437 /nfs/dbraw/zinc/88/94/37/443889437.db2.gz NNIQVZROFVBGIS-KGLIPLIRSA-N 1 2 333.436 1.510 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccnn2C(C)C)C1=O ZINC000281356592 443889439 /nfs/dbraw/zinc/88/94/39/443889439.db2.gz NNIQVZROFVBGIS-KGLIPLIRSA-N 1 2 333.436 1.510 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(OC)cc2)C1=O ZINC000281363094 443889950 /nfs/dbraw/zinc/88/99/50/443889950.db2.gz NZMRWRIALIESGA-KRWDZBQOSA-N 1 2 345.443 1.372 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(OC)cc2)C1=O ZINC000281363094 443889954 /nfs/dbraw/zinc/88/99/54/443889954.db2.gz NZMRWRIALIESGA-KRWDZBQOSA-N 1 2 345.443 1.372 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCc2cccc(Cl)c2)C1=O ZINC000281296342 443872172 /nfs/dbraw/zinc/87/21/72/443872172.db2.gz JOLXVODQCBYEST-HNNXBMFYSA-N 1 2 335.835 1.675 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCc2cccc(Cl)c2)C1=O ZINC000281296342 443872177 /nfs/dbraw/zinc/87/21/77/443872177.db2.gz JOLXVODQCBYEST-HNNXBMFYSA-N 1 2 335.835 1.675 20 30 EDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000292899817 443873421 /nfs/dbraw/zinc/87/34/21/443873421.db2.gz AGIIZWSFQSZAGA-CYBMUJFWSA-N 1 2 337.445 1.219 20 30 EDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000292899817 443873424 /nfs/dbraw/zinc/87/34/24/443873424.db2.gz AGIIZWSFQSZAGA-CYBMUJFWSA-N 1 2 337.445 1.219 20 30 EDEDLO COCCn1nnc2c1CC[N@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000293152380 443938402 /nfs/dbraw/zinc/93/84/02/443938402.db2.gz DXSXCZUUMRCRSH-UHFFFAOYSA-N 1 2 327.388 1.363 20 30 EDEDLO COCCn1nnc2c1CC[N@@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000293152380 443938407 /nfs/dbraw/zinc/93/84/07/443938407.db2.gz DXSXCZUUMRCRSH-UHFFFAOYSA-N 1 2 327.388 1.363 20 30 EDEDLO Cc1nnc(NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)c(C#N)c1C ZINC000281475084 443921831 /nfs/dbraw/zinc/92/18/31/443921831.db2.gz MQHWHXUEEKTUKV-KBPBESRZSA-N 1 2 343.410 1.723 20 30 EDEDLO CC#CC[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000293090823 443922440 /nfs/dbraw/zinc/92/24/40/443922440.db2.gz KIBLPVDOMCNLRZ-UHFFFAOYSA-N 1 2 333.457 1.761 20 30 EDEDLO CC#CC[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000293090823 443922443 /nfs/dbraw/zinc/92/24/43/443922443.db2.gz KIBLPVDOMCNLRZ-UHFFFAOYSA-N 1 2 333.457 1.761 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2nc(-c3cccnc3)no2)C1=O ZINC000281489242 443924913 /nfs/dbraw/zinc/92/49/13/443924913.db2.gz XHEKQPHJPUZVAF-OCCSQVGLSA-N 1 2 327.388 1.911 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2nc(-c3cccnc3)no2)C1=O ZINC000281489242 443924915 /nfs/dbraw/zinc/92/49/15/443924915.db2.gz XHEKQPHJPUZVAF-OCCSQVGLSA-N 1 2 327.388 1.911 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000281677248 443976923 /nfs/dbraw/zinc/97/69/23/443976923.db2.gz ZJEWSGUBMSSISJ-WMZOPIPTSA-N 1 2 344.459 1.890 20 30 EDEDLO Cc1cc(C(N)=[NH+]OCc2nnnn2CC2CCOCC2)ccc1F ZINC000277408093 443982858 /nfs/dbraw/zinc/98/28/58/443982858.db2.gz DHZYTZHVFWTLBO-UHFFFAOYSA-N 1 2 348.382 1.384 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nncn1-c1ccccc1 ZINC000277761419 444036376 /nfs/dbraw/zinc/03/63/76/444036376.db2.gz QKEKDALEVDZEGU-UHFFFAOYSA-N 1 2 340.431 1.315 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)C1=O ZINC000281948746 444046735 /nfs/dbraw/zinc/04/67/35/444046735.db2.gz JJOZBQDQRVMVJC-KBPBESRZSA-N 1 2 332.400 1.340 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)C1=O ZINC000281948746 444046741 /nfs/dbraw/zinc/04/67/41/444046741.db2.gz JJOZBQDQRVMVJC-KBPBESRZSA-N 1 2 332.400 1.340 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000289082962 444049618 /nfs/dbraw/zinc/04/96/18/444049618.db2.gz GEKXUVCMJKOKAO-WMLDXEAASA-N 1 2 349.456 1.183 20 30 EDEDLO N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccc4[nH+]ccn4c3)CC2)c1 ZINC000551773256 320916433 /nfs/dbraw/zinc/91/64/33/320916433.db2.gz SQZVPUKNMQSRMV-UHFFFAOYSA-N 1 2 345.362 1.950 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)CC1 ZINC000289115596 444056319 /nfs/dbraw/zinc/05/63/19/444056319.db2.gz TUDLOBAPWMMOHK-UHFFFAOYSA-N 1 2 325.372 1.049 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](C(=O)NCCc3[nH]cc[nH+]3)C2)c(F)c1 ZINC000561126694 321034078 /nfs/dbraw/zinc/03/40/78/321034078.db2.gz HJPFMEURDVURAH-CYBMUJFWSA-N 1 2 327.363 1.606 20 30 EDEDLO N#Cc1ccc(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)nc1 ZINC000566413496 321228531 /nfs/dbraw/zinc/22/85/31/321228531.db2.gz GPWMSXOYRKGLMB-KRWDZBQOSA-N 1 2 328.416 1.557 20 30 EDEDLO N#Cc1ccc(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)nc1 ZINC000566413496 321228532 /nfs/dbraw/zinc/22/85/32/321228532.db2.gz GPWMSXOYRKGLMB-KRWDZBQOSA-N 1 2 328.416 1.557 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000571033866 321368582 /nfs/dbraw/zinc/36/85/82/321368582.db2.gz CAJKUFDVPJALIT-UHFFFAOYSA-N 1 2 337.427 1.753 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000289508621 444161401 /nfs/dbraw/zinc/16/14/01/444161401.db2.gz HYDINCKXMVVXJQ-IEBWSBKVSA-N 1 2 332.444 1.812 20 30 EDEDLO COCC[NH+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000294590951 444124280 /nfs/dbraw/zinc/12/42/80/444124280.db2.gz CVSJIMIFZGKKAV-UHFFFAOYSA-N 1 2 342.321 1.376 20 30 EDEDLO CCn1nc(C)c(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000296727388 444250450 /nfs/dbraw/zinc/25/04/50/444250450.db2.gz JLFVEVRDHQSMDI-INIZCTEOSA-N 1 2 338.415 1.369 20 30 EDEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000297843564 444340981 /nfs/dbraw/zinc/34/09/81/444340981.db2.gz UWJZZOYEUJTKKR-UHFFFAOYSA-N 1 2 332.448 1.973 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000340263383 444375413 /nfs/dbraw/zinc/37/54/13/444375413.db2.gz ZGXVRHPUAVQBBY-HNNXBMFYSA-N 1 2 325.453 1.028 20 30 EDEDLO CC(C)C[C@@]1(CO)CCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000331011970 444358190 /nfs/dbraw/zinc/35/81/90/444358190.db2.gz JPMXAFYJCFBKEA-GOSISDBHSA-N 1 2 341.496 1.884 20 30 EDEDLO CC(C)C[C@@]1(CO)CCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000331011970 444358193 /nfs/dbraw/zinc/35/81/93/444358193.db2.gz JPMXAFYJCFBKEA-GOSISDBHSA-N 1 2 341.496 1.884 20 30 EDEDLO C[C@H](CNC(=O)N1CC[C@@H](C2CCOCC2)C1)[NH+]1CCOCC1 ZINC000328811393 444361091 /nfs/dbraw/zinc/36/10/91/444361091.db2.gz FILGZLJRASSUKZ-GDBMZVCRSA-N 1 2 325.453 1.370 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C[C@@H]21 ZINC000328847779 444373455 /nfs/dbraw/zinc/37/34/55/444373455.db2.gz ASNSFIBFYYGSLS-SIRPWMCASA-N 1 2 349.475 1.653 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C[C@@H]21 ZINC000328847779 444373459 /nfs/dbraw/zinc/37/34/59/444373459.db2.gz ASNSFIBFYYGSLS-SIRPWMCASA-N 1 2 349.475 1.653 20 30 EDEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N(C)C[C@@H](C)C#N ZINC000297774657 444332351 /nfs/dbraw/zinc/33/23/51/444332351.db2.gz NATAFXMMOXSRGN-UONOGXRCSA-N 1 2 331.420 1.575 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnc(C(C)(C)C)nc3)C[C@H]21 ZINC000328959940 444423763 /nfs/dbraw/zinc/42/37/63/444423763.db2.gz QECZMVFVWWWCBO-ZIAGYGMSSA-N 1 2 333.436 1.725 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnc(C(C)(C)C)nc3)C[C@H]21 ZINC000328959940 444423768 /nfs/dbraw/zinc/42/37/68/444423768.db2.gz QECZMVFVWWWCBO-ZIAGYGMSSA-N 1 2 333.436 1.725 20 30 EDEDLO [O-]C(=[NH+]C[C@@H]1CCCn2cc[nH+]c21)N1CCn2c(nnc2C2CC2)C1 ZINC000328601774 444390330 /nfs/dbraw/zinc/39/03/30/444390330.db2.gz GCNMACHULZKDGX-ZDUSSCGKSA-N 1 2 341.419 1.659 20 30 EDEDLO CC(C)C(=O)Nc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccn1 ZINC000328910158 444398883 /nfs/dbraw/zinc/39/88/83/444398883.db2.gz FJSMQGZZNVRZRG-KGLIPLIRSA-N 1 2 332.404 1.481 20 30 EDEDLO CC(C)C(=O)Nc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)ccn1 ZINC000328910158 444398888 /nfs/dbraw/zinc/39/88/88/444398888.db2.gz FJSMQGZZNVRZRG-KGLIPLIRSA-N 1 2 332.404 1.481 20 30 EDEDLO CC(C)c1ccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(O)c1 ZINC000331246335 444456891 /nfs/dbraw/zinc/45/68/91/444456891.db2.gz UYPYCZISYHOJCQ-GOSISDBHSA-N 1 2 336.432 1.903 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2cnc[nH]2)CCC(=O)N1C1CC1 ZINC000329048340 444457315 /nfs/dbraw/zinc/45/73/15/444457315.db2.gz KDWCHXJUZKGPSP-IAQYHMDHSA-N 1 2 328.376 1.343 20 30 EDEDLO CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000329112442 444475384 /nfs/dbraw/zinc/47/53/84/444475384.db2.gz RIQQWYZGAZGOBC-MGPQQGTHSA-N 1 2 343.493 1.754 20 30 EDEDLO Cn1cc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c(C(F)(F)F)n1 ZINC000331314000 444464848 /nfs/dbraw/zinc/46/48/48/444464848.db2.gz CGGDWASAVZIKPJ-UHFFFAOYSA-N 1 2 349.357 1.876 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CC[C@H](O)CC1)C1CCOCC1 ZINC000329078827 444466398 /nfs/dbraw/zinc/46/63/98/444466398.db2.gz QPNUQHKUAZVXPO-KKUMJFAQSA-N 1 2 336.436 1.695 20 30 EDEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2nncn2C2CC2)CC1 ZINC000329104887 444473574 /nfs/dbraw/zinc/47/35/74/444473574.db2.gz GUJZQJILUUFOMZ-UHFFFAOYSA-N 1 2 329.408 1.847 20 30 EDEDLO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@H]1CCn2cc[nH+]c2C1 ZINC000328698620 444433475 /nfs/dbraw/zinc/43/34/75/444433475.db2.gz LUQXTIUAFWMFDS-OFQRWUPVSA-N 1 2 333.432 1.970 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3nc4c(cc3C#N)CCCC4)CC2)cn1 ZINC000329119864 444477279 /nfs/dbraw/zinc/47/72/79/444477279.db2.gz JYLKVDJWLRBIQS-UHFFFAOYSA-N 1 2 336.443 1.888 20 30 EDEDLO CC(C)(CNC(=O)NCC#Cc1cccc(F)c1)[NH+]1CCOCC1 ZINC000337995787 444481872 /nfs/dbraw/zinc/48/18/72/444481872.db2.gz GSALRUPPJZOXSF-UHFFFAOYSA-N 1 2 333.407 1.587 20 30 EDEDLO C[C@H](NC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1)C(=O)N1CCCCC1 ZINC000329244757 444510879 /nfs/dbraw/zinc/51/08/79/444510879.db2.gz QBDHDLQSMRSCFI-UONOGXRCSA-N 1 2 333.436 1.904 20 30 EDEDLO N#CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000343745731 444561263 /nfs/dbraw/zinc/56/12/63/444561263.db2.gz SECBUMNMLDHIJB-GXFFZTMASA-N 1 2 327.306 1.453 20 30 EDEDLO N#CCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000343745731 444561267 /nfs/dbraw/zinc/56/12/67/444561267.db2.gz SECBUMNMLDHIJB-GXFFZTMASA-N 1 2 327.306 1.453 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCc2cnccn2)CC1 ZINC000329329355 444537109 /nfs/dbraw/zinc/53/71/09/444537109.db2.gz VFJFWOIRWQCSML-CYBMUJFWSA-N 1 2 346.435 1.058 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000342158643 444539580 /nfs/dbraw/zinc/53/95/80/444539580.db2.gz ISDQVKXVDQRHIH-HOTGVXAUSA-N 1 2 349.450 1.637 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000329337649 444540238 /nfs/dbraw/zinc/54/02/38/444540238.db2.gz PYARBNONNWARLI-SNVBAGLBSA-N 1 2 327.454 1.304 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1C#N ZINC000343781122 444587096 /nfs/dbraw/zinc/58/70/96/444587096.db2.gz BBPGWXOIUMGBEA-ZANVPECISA-N 1 2 332.429 1.593 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1C#N ZINC000343781122 444587097 /nfs/dbraw/zinc/58/70/97/444587097.db2.gz BBPGWXOIUMGBEA-ZANVPECISA-N 1 2 332.429 1.593 20 30 EDEDLO CC[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C[C@@H](C)S1(=O)=O ZINC000329512729 444610367 /nfs/dbraw/zinc/61/03/67/444610367.db2.gz LDDILQFKIJDLHP-DGCLKSJQSA-N 1 2 336.417 1.777 20 30 EDEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCCCS1(=O)=O ZINC000329548539 444624951 /nfs/dbraw/zinc/62/49/51/444624951.db2.gz CGKUCVVFXASEBV-CYBMUJFWSA-N 1 2 325.434 1.686 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CCCCS2(=O)=O)C1 ZINC000329665245 444671502 /nfs/dbraw/zinc/67/15/02/444671502.db2.gz QTCSWYLFSJXFJJ-CHWSQXEVSA-N 1 2 340.449 1.091 20 30 EDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000329680123 444676904 /nfs/dbraw/zinc/67/69/04/444676904.db2.gz WHIUTKZKUZSKLU-CQSZACIVSA-N 1 2 335.408 1.701 20 30 EDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000329680123 444676906 /nfs/dbraw/zinc/67/69/06/444676906.db2.gz WHIUTKZKUZSKLU-CQSZACIVSA-N 1 2 335.408 1.701 20 30 EDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(F)cc1 ZINC000343967718 444700469 /nfs/dbraw/zinc/70/04/69/444700469.db2.gz GEMXIFPMKGCSTO-UHFFFAOYSA-N 1 2 333.388 1.998 20 30 EDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(F)cc1 ZINC000343967718 444700471 /nfs/dbraw/zinc/70/04/71/444700471.db2.gz GEMXIFPMKGCSTO-UHFFFAOYSA-N 1 2 333.388 1.998 20 30 EDEDLO CC(C)(C)n1cnc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000329761719 444706584 /nfs/dbraw/zinc/70/65/84/444706584.db2.gz RUJFUZAWWSAKPN-GFCCVEGCSA-N 1 2 329.408 2.033 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)NC[C@H]3CCCCS3)CC2)cn1 ZINC000329766371 444708851 /nfs/dbraw/zinc/70/88/51/444708851.db2.gz YBGFWHYBNYZJGU-OAHLLOKOSA-N 1 2 337.493 1.737 20 30 EDEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)[C@@]1(CO)CCOC1 ZINC000329699173 444684585 /nfs/dbraw/zinc/68/45/85/444684585.db2.gz CYWGPFDGGTYXDC-QGZVFWFLSA-N 1 2 336.388 1.519 20 30 EDEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)[C@@]1(CO)CCOC1 ZINC000329699173 444684589 /nfs/dbraw/zinc/68/45/89/444684589.db2.gz CYWGPFDGGTYXDC-QGZVFWFLSA-N 1 2 336.388 1.519 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3(C)CCC3)ccn2)CC1 ZINC000329857849 444742634 /nfs/dbraw/zinc/74/26/34/444742634.db2.gz VPSOCZDYDNOCSW-UHFFFAOYSA-N 1 2 345.447 1.985 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1nnc(C(C)(C)C)s1 ZINC000329865200 444746239 /nfs/dbraw/zinc/74/62/39/444746239.db2.gz ABOMHLYCVVCCAS-NSHDSACASA-N 1 2 341.481 1.560 20 30 EDEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCO[C@]2(CCOC2)C1 ZINC000329900783 444760826 /nfs/dbraw/zinc/76/08/26/444760826.db2.gz ODKYCKYLEKJDAO-GOSISDBHSA-N 1 2 342.399 1.778 20 30 EDEDLO Cc1nc(CNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)sc1C ZINC000329946280 444781676 /nfs/dbraw/zinc/78/16/76/444781676.db2.gz GHHXBBAMEAUATP-CYBMUJFWSA-N 1 2 348.476 1.896 20 30 EDEDLO CO[C@H](C)c1nc(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cs1 ZINC000329980318 444797605 /nfs/dbraw/zinc/79/76/05/444797605.db2.gz LCKKPCHDUUCHGT-RTXFEEFZSA-N 1 2 340.449 1.279 20 30 EDEDLO CO[C@H](C)c1nc(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cs1 ZINC000329980318 444797609 /nfs/dbraw/zinc/79/76/09/444797609.db2.gz LCKKPCHDUUCHGT-RTXFEEFZSA-N 1 2 340.449 1.279 20 30 EDEDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cn([C@H]2CCOC2)nn1 ZINC000330053581 444826989 /nfs/dbraw/zinc/82/69/89/444826989.db2.gz QQQITLZAGUFPPJ-ZDUSSCGKSA-N 1 2 347.444 1.664 20 30 EDEDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cn([C@H]2CCOC2)nn1 ZINC000330053581 444826993 /nfs/dbraw/zinc/82/69/93/444826993.db2.gz QQQITLZAGUFPPJ-ZDUSSCGKSA-N 1 2 347.444 1.664 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000344228935 444851041 /nfs/dbraw/zinc/85/10/41/444851041.db2.gz YUCBHAYYHFLILD-UHFFFAOYSA-N 1 2 342.380 1.875 20 30 EDEDLO CC(=O)N1CC[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000330126907 444854645 /nfs/dbraw/zinc/85/46/45/444854645.db2.gz CFYAGRORCZCQGF-ZWKOTPCHSA-N 1 2 345.443 1.712 20 30 EDEDLO CC(=O)N1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000330126907 444854648 /nfs/dbraw/zinc/85/46/48/444854648.db2.gz CFYAGRORCZCQGF-ZWKOTPCHSA-N 1 2 345.443 1.712 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000330163783 444869014 /nfs/dbraw/zinc/86/90/14/444869014.db2.gz VLDLZQOZEBLAQH-YLVFBTJISA-N 1 2 336.436 1.893 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000330163783 444869018 /nfs/dbraw/zinc/86/90/18/444869018.db2.gz VLDLZQOZEBLAQH-YLVFBTJISA-N 1 2 336.436 1.893 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000336949776 444870284 /nfs/dbraw/zinc/87/02/84/444870284.db2.gz SDTAZHXAKSAKIC-ZDUSSCGKSA-N 1 2 327.454 1.355 20 30 EDEDLO CN(C)C(=O)C1(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000330183419 444877158 /nfs/dbraw/zinc/87/71/58/444877158.db2.gz HXERSTXHODWQMR-CYBMUJFWSA-N 1 2 333.436 1.350 20 30 EDEDLO CN(C)C(=O)C1(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000330183419 444877162 /nfs/dbraw/zinc/87/71/62/444877162.db2.gz HXERSTXHODWQMR-CYBMUJFWSA-N 1 2 333.436 1.350 20 30 EDEDLO C[C@H](C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1)n1cnc(C#N)n1 ZINC000336980828 444886285 /nfs/dbraw/zinc/88/62/85/444886285.db2.gz SGHMGHZJDNTQLK-CQSZACIVSA-N 1 2 349.398 1.614 20 30 EDEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)nn1C(F)F ZINC000341554123 444891339 /nfs/dbraw/zinc/89/13/39/444891339.db2.gz WGMNNPMZSORTEV-UHFFFAOYSA-N 1 2 341.362 1.275 20 30 EDEDLO CSC1(CNC(=O)NCC2([NH+]3CCOCC3)CC2)CCOCC1 ZINC000330240715 444902247 /nfs/dbraw/zinc/90/22/47/444902247.db2.gz IRYYQGORRBNAFS-UHFFFAOYSA-N 1 2 343.493 1.267 20 30 EDEDLO CCn1nc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1C1CC1 ZINC000330258103 444910316 /nfs/dbraw/zinc/91/03/16/444910316.db2.gz RBBUPDBHNYVUAD-OLZOCXBDSA-N 1 2 335.452 2.216 20 30 EDEDLO COC[C@@H]1C[C@@H](OC)C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000344347821 444910795 /nfs/dbraw/zinc/91/07/95/444910795.db2.gz GYBXPGUSCPWLTI-UONOGXRCSA-N 1 2 349.456 1.976 20 30 EDEDLO COC[C@@H]1C[C@@H](OC)C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000344347821 444910796 /nfs/dbraw/zinc/91/07/96/444910796.db2.gz GYBXPGUSCPWLTI-UONOGXRCSA-N 1 2 349.456 1.976 20 30 EDEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)N3CCCCCC3)CC2)C1 ZINC000338892723 444916979 /nfs/dbraw/zinc/91/69/79/444916979.db2.gz FONKEXKLMIJGEO-JKSUJKDBSA-N 1 2 340.493 1.417 20 30 EDEDLO Cn1ccnc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1=O ZINC000344417017 444954390 /nfs/dbraw/zinc/95/43/90/444954390.db2.gz WCQKQSOCTSDWND-UHFFFAOYSA-N 1 2 327.363 1.113 20 30 EDEDLO CN(CC(F)(F)F)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000330371251 444956785 /nfs/dbraw/zinc/95/67/85/444956785.db2.gz IEKSDNLNROTOJP-UHFFFAOYSA-N 1 2 332.326 1.826 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000341704513 444959855 /nfs/dbraw/zinc/95/98/55/444959855.db2.gz SAONEOQECJYVOP-CQSZACIVSA-N 1 2 334.420 1.533 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000330416942 444973463 /nfs/dbraw/zinc/97/34/63/444973463.db2.gz OHNXGYGYRCHFLH-LBPRGKRZSA-N 1 2 328.438 1.072 20 30 EDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000338921968 444932968 /nfs/dbraw/zinc/93/29/68/444932968.db2.gz UZWZCFLQBAVDIS-UHFFFAOYSA-N 1 2 334.416 1.664 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000330337138 444942457 /nfs/dbraw/zinc/94/24/57/444942457.db2.gz SZZIRJLAFNJSAL-LBPRGKRZSA-N 1 2 334.468 1.727 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(OC)cc3)o2)C1=O ZINC000337230197 444995475 /nfs/dbraw/zinc/99/54/75/444995475.db2.gz SSUXTNZGZQPQQC-OAHLLOKOSA-N 1 2 342.399 1.964 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccc(OC)cc3)o2)C1=O ZINC000337230197 444995476 /nfs/dbraw/zinc/99/54/76/444995476.db2.gz SSUXTNZGZQPQQC-OAHLLOKOSA-N 1 2 342.399 1.964 20 30 EDEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc(C#N)[nH]2)cc1 ZINC000337372552 445052410 /nfs/dbraw/zinc/05/24/10/445052410.db2.gz DJXLRGFFRYGDTA-GOSISDBHSA-N 1 2 338.411 1.998 20 30 EDEDLO Cc1nc(NC(=O)[C@H](C)[N@H+](C)CCNC(=O)N(C)C)sc1C ZINC000330628125 445069241 /nfs/dbraw/zinc/06/92/41/445069241.db2.gz YKMGPJICUNBEHU-JTQLQIEISA-N 1 2 327.454 1.494 20 30 EDEDLO Cc1nc(NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)N(C)C)sc1C ZINC000330628125 445069246 /nfs/dbraw/zinc/06/92/46/445069246.db2.gz YKMGPJICUNBEHU-JTQLQIEISA-N 1 2 327.454 1.494 20 30 EDEDLO N#Cc1cc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000341854214 445036572 /nfs/dbraw/zinc/03/65/72/445036572.db2.gz RKPLQDNINBYSAG-UHFFFAOYSA-N 1 2 336.399 1.499 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C2)n1 ZINC000343064931 445037396 /nfs/dbraw/zinc/03/73/96/445037396.db2.gz JQHAQNBDVIDSPQ-QGZVFWFLSA-N 1 2 331.420 1.557 20 30 EDEDLO CO[C@H]1C[C@@H](c2nncn2C)[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000344530981 445038350 /nfs/dbraw/zinc/03/83/50/445038350.db2.gz YOMGPDJLLDXHCY-IRXDYDNUSA-N 1 2 341.415 1.918 20 30 EDEDLO CO[C@H]1C[C@@H](c2nncn2C)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000344530981 445038353 /nfs/dbraw/zinc/03/83/53/445038353.db2.gz YOMGPDJLLDXHCY-IRXDYDNUSA-N 1 2 341.415 1.918 20 30 EDEDLO Cc1noc(Cl)c1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000337538033 445125752 /nfs/dbraw/zinc/12/57/52/445125752.db2.gz OJFMDPSNFPWBAF-UHFFFAOYSA-N 1 2 340.811 1.253 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)c3ccc(C#N)cc3)ccn2)CC1 ZINC000343299133 445188616 /nfs/dbraw/zinc/18/86/16/445188616.db2.gz FWRQRKCKGPKZIJ-UHFFFAOYSA-N 1 2 349.394 1.015 20 30 EDEDLO CCSc1nnc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)s1 ZINC000330798724 445145828 /nfs/dbraw/zinc/14/58/28/445145828.db2.gz GRPQAKYOUUHEPK-SECBINFHSA-N 1 2 331.467 1.697 20 30 EDEDLO C=CCC(C)(C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000339561927 445150327 /nfs/dbraw/zinc/15/03/27/445150327.db2.gz FBFXOIRNIVJZFS-UHFFFAOYSA-N 1 2 344.459 1.839 20 30 EDEDLO C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000337591621 445155811 /nfs/dbraw/zinc/15/58/11/445155811.db2.gz XVLUXLMIYHBEML-OAHLLOKOSA-N 1 2 345.443 1.581 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)[C@H]1C ZINC000347188994 445233720 /nfs/dbraw/zinc/23/37/20/445233720.db2.gz CWXVTRBGDSWYFI-DMDPSCGWSA-N 1 2 333.388 1.979 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)[C@H]1C ZINC000347188994 445233722 /nfs/dbraw/zinc/23/37/22/445233722.db2.gz CWXVTRBGDSWYFI-DMDPSCGWSA-N 1 2 333.388 1.979 20 30 EDEDLO C[C@@H](COc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000348322508 445256389 /nfs/dbraw/zinc/25/63/89/445256389.db2.gz GZPPHUHFQGVDKM-KRWDZBQOSA-N 1 2 345.443 1.776 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N(C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000348493823 445307174 /nfs/dbraw/zinc/30/71/74/445307174.db2.gz CKGKNWZSZUOPGK-AWEZNQCLSA-N 1 2 330.388 1.173 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351794808 445324710 /nfs/dbraw/zinc/32/47/10/445324710.db2.gz GNCSHWLBVCAVBA-LRDDRELGSA-N 1 2 348.447 1.264 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351794808 445324712 /nfs/dbraw/zinc/32/47/12/445324712.db2.gz GNCSHWLBVCAVBA-LRDDRELGSA-N 1 2 348.447 1.264 20 30 EDEDLO CCN1C(=O)[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CCN2C1=O ZINC000362790703 445550788 /nfs/dbraw/zinc/55/07/88/445550788.db2.gz BLNXLEUVSLEJMK-HNNXBMFYSA-N 1 2 331.803 1.660 20 30 EDEDLO CCN1C(=O)[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)CCN2C1=O ZINC000362790703 445550791 /nfs/dbraw/zinc/55/07/91/445550791.db2.gz BLNXLEUVSLEJMK-HNNXBMFYSA-N 1 2 331.803 1.660 20 30 EDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc(C#N)cn1C ZINC000349357524 445571321 /nfs/dbraw/zinc/57/13/21/445571321.db2.gz UAGGLCCGRZVQCO-UHFFFAOYSA-N 1 2 325.294 1.928 20 30 EDEDLO CCN(CC)C(=O)CN1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000362953246 445625099 /nfs/dbraw/zinc/62/50/99/445625099.db2.gz XYXMZWSUDOCAIH-UHFFFAOYSA-N 1 2 328.460 1.853 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000362953246 445625104 /nfs/dbraw/zinc/62/51/04/445625104.db2.gz XYXMZWSUDOCAIH-UHFFFAOYSA-N 1 2 328.460 1.853 20 30 EDEDLO CC(C)CN(C(=O)CN(CCC#N)CC[NH+]1CCOCC1)C(C)C ZINC000357952113 445596029 /nfs/dbraw/zinc/59/60/29/445596029.db2.gz AEAWHQZDKPTPIC-UHFFFAOYSA-N 1 2 338.496 1.427 20 30 EDEDLO CCOC(=O)CCCC[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000363058352 445663878 /nfs/dbraw/zinc/66/38/78/445663878.db2.gz NOKQGZLEOTVOPS-UHFFFAOYSA-N 1 2 343.427 1.936 20 30 EDEDLO CCOC(=O)CCCC[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000363058352 445663881 /nfs/dbraw/zinc/66/38/81/445663881.db2.gz NOKQGZLEOTVOPS-UHFFFAOYSA-N 1 2 343.427 1.936 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356377641 445760663 /nfs/dbraw/zinc/76/06/63/445760663.db2.gz RWDLOQAPDRLKKZ-MRXNPFEDSA-N 1 2 342.443 1.977 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356377641 445760667 /nfs/dbraw/zinc/76/06/67/445760667.db2.gz RWDLOQAPDRLKKZ-MRXNPFEDSA-N 1 2 342.443 1.977 20 30 EDEDLO COCCc1noc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000361580901 445830740 /nfs/dbraw/zinc/83/07/40/445830740.db2.gz FEWCWYTYXCJDNB-UHFFFAOYSA-N 1 2 342.403 1.237 20 30 EDEDLO COCCc1noc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000361580901 445830741 /nfs/dbraw/zinc/83/07/41/445830741.db2.gz FEWCWYTYXCJDNB-UHFFFAOYSA-N 1 2 342.403 1.237 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCCCC#N)ccn2)CC1 ZINC000350139912 445778622 /nfs/dbraw/zinc/77/86/22/445778622.db2.gz RZBCMTFNWDCOFQ-UHFFFAOYSA-N 1 2 344.419 1.285 20 30 EDEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccc(C#N)s1 ZINC000369073512 445912416 /nfs/dbraw/zinc/91/24/16/445912416.db2.gz PNAMAWVEARXYBF-UHFFFAOYSA-N 1 2 336.442 1.973 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)s1 ZINC000369178458 445972781 /nfs/dbraw/zinc/97/27/81/445972781.db2.gz KKEYFYCRTPYDBB-RYUDHWBXSA-N 1 2 341.458 1.151 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)s1 ZINC000369178458 445972783 /nfs/dbraw/zinc/97/27/83/445972783.db2.gz KKEYFYCRTPYDBB-RYUDHWBXSA-N 1 2 341.458 1.151 20 30 EDEDLO C=CCCC(=O)N1C[C@H](C(=O)N2CC[NH+](C)CC2)Oc2ccccc21 ZINC000365136548 446046897 /nfs/dbraw/zinc/04/68/97/446046897.db2.gz WQNNVWPOXMXLHS-QGZVFWFLSA-N 1 2 343.427 1.521 20 30 EDEDLO Cn1cc(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1C#N ZINC000583728210 326126021 /nfs/dbraw/zinc/12/60/21/326126021.db2.gz QILINFAUAKHIGT-QGZVFWFLSA-N 1 2 330.432 1.500 20 30 EDEDLO Cn1cc(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1C#N ZINC000583728210 326126023 /nfs/dbraw/zinc/12/60/23/326126023.db2.gz QILINFAUAKHIGT-QGZVFWFLSA-N 1 2 330.432 1.500 20 30 EDEDLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2CCOc2cccc(C#N)c2)n1 ZINC000369301811 446057507 /nfs/dbraw/zinc/05/75/07/446057507.db2.gz FPBHXGIANPJWTF-DZGCQCFKSA-N 1 2 328.372 1.690 20 30 EDEDLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2CCOc2cccc(C#N)c2)n1 ZINC000369301811 446057511 /nfs/dbraw/zinc/05/75/11/446057511.db2.gz FPBHXGIANPJWTF-DZGCQCFKSA-N 1 2 328.372 1.690 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000369564164 446133416 /nfs/dbraw/zinc/13/34/16/446133416.db2.gz HWIPURKEFPZNRG-NVXWUHKLSA-N 1 2 337.464 1.028 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000369564164 446133423 /nfs/dbraw/zinc/13/34/23/446133423.db2.gz HWIPURKEFPZNRG-NVXWUHKLSA-N 1 2 337.464 1.028 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000361964675 446113035 /nfs/dbraw/zinc/11/30/35/446113035.db2.gz OUTOYQCFZRAVBU-ZDUSSCGKSA-N 1 2 346.412 1.858 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1CNC(=O)c1cccc(C#N)c1 ZINC000351514317 446116479 /nfs/dbraw/zinc/11/64/79/446116479.db2.gz OISPMHXDCYLVEA-JKSUJKDBSA-N 1 2 341.390 1.634 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@H](F)C[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000351539440 446141320 /nfs/dbraw/zinc/14/13/20/446141320.db2.gz AQYTUGWWMICXSB-TZMCWYRMSA-N 1 2 345.378 1.834 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@H](F)C[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000351539440 446141324 /nfs/dbraw/zinc/14/13/24/446141324.db2.gz AQYTUGWWMICXSB-TZMCWYRMSA-N 1 2 345.378 1.834 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354377019 446159700 /nfs/dbraw/zinc/15/97/00/446159700.db2.gz CJKZXPQSDRYDMR-AWEZNQCLSA-N 1 2 339.399 1.393 20 30 EDEDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000370057536 446179241 /nfs/dbraw/zinc/17/92/41/446179241.db2.gz XVATZHHQPUQLKQ-UHFFFAOYSA-N 1 2 340.387 1.912 20 30 EDEDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000370057536 446179246 /nfs/dbraw/zinc/17/92/46/446179246.db2.gz XVATZHHQPUQLKQ-UHFFFAOYSA-N 1 2 340.387 1.912 20 30 EDEDLO C#Cc1cccc(N(C)C(=O)c2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000365689750 446302580 /nfs/dbraw/zinc/30/25/80/446302580.db2.gz CBYPPNWXSVABSM-UHFFFAOYSA-N 1 2 338.411 1.473 20 30 EDEDLO N#Cc1cccnc1-n1cc(NC(=O)NCc2ccc(N)[nH+]c2)cn1 ZINC000374707518 446387389 /nfs/dbraw/zinc/38/73/89/446387389.db2.gz OKYWTNBKSVYLSF-UHFFFAOYSA-N 1 2 334.343 1.438 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000370898009 446506969 /nfs/dbraw/zinc/50/69/69/446506969.db2.gz LBJDJNLELJAOMK-QGZVFWFLSA-N 1 2 340.427 1.974 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000370898009 446506974 /nfs/dbraw/zinc/50/69/74/446506974.db2.gz LBJDJNLELJAOMK-QGZVFWFLSA-N 1 2 340.427 1.974 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCN1C(=O)c1cscn1 ZINC000453575510 446562055 /nfs/dbraw/zinc/56/20/55/446562055.db2.gz NYTDUFJDMHEQIA-LBPRGKRZSA-N 1 2 329.429 1.700 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCN1C(=O)c1cscn1 ZINC000453575510 446562059 /nfs/dbraw/zinc/56/20/59/446562059.db2.gz NYTDUFJDMHEQIA-LBPRGKRZSA-N 1 2 329.429 1.700 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000376483273 446525746 /nfs/dbraw/zinc/52/57/46/446525746.db2.gz GWCABZAXKCYMEB-KRWDZBQOSA-N 1 2 334.379 1.800 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C1 ZINC000376483273 446525749 /nfs/dbraw/zinc/52/57/49/446525749.db2.gz GWCABZAXKCYMEB-KRWDZBQOSA-N 1 2 334.379 1.800 20 30 EDEDLO CC(C)OC[C@H](CO)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000433138708 446535509 /nfs/dbraw/zinc/53/55/09/446535509.db2.gz ZEPBSXWVWXCCAT-AWEZNQCLSA-N 1 2 339.823 1.868 20 30 EDEDLO CC(C)OC[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000433138708 446535516 /nfs/dbraw/zinc/53/55/16/446535516.db2.gz ZEPBSXWVWXCCAT-AWEZNQCLSA-N 1 2 339.823 1.868 20 30 EDEDLO CC(C)OC[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000433138709 446535918 /nfs/dbraw/zinc/53/59/18/446535918.db2.gz ZEPBSXWVWXCCAT-CQSZACIVSA-N 1 2 339.823 1.868 20 30 EDEDLO CC(C)OC[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000433138709 446535927 /nfs/dbraw/zinc/53/59/27/446535927.db2.gz ZEPBSXWVWXCCAT-CQSZACIVSA-N 1 2 339.823 1.868 20 30 EDEDLO CC(C)OC[C@H](CO)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000433181497 446545291 /nfs/dbraw/zinc/54/52/91/446545291.db2.gz YCENXDHVRPLVQV-HNNXBMFYSA-N 1 2 340.445 1.050 20 30 EDEDLO CC(C)OC[C@H](CO)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000433181497 446545292 /nfs/dbraw/zinc/54/52/92/446545292.db2.gz YCENXDHVRPLVQV-HNNXBMFYSA-N 1 2 340.445 1.050 20 30 EDEDLO COc1cc(CNC(=O)C[N@H+](C)CC(C)(C)C#N)cc(OC)c1OC ZINC000433326717 446554794 /nfs/dbraw/zinc/55/47/94/446554794.db2.gz OYLHDMNZWGMENT-UHFFFAOYSA-N 1 2 349.431 1.810 20 30 EDEDLO COc1cc(CNC(=O)C[N@@H+](C)CC(C)(C)C#N)cc(OC)c1OC ZINC000433326717 446554798 /nfs/dbraw/zinc/55/47/98/446554798.db2.gz OYLHDMNZWGMENT-UHFFFAOYSA-N 1 2 349.431 1.810 20 30 EDEDLO N#Cc1ccc(-n2ccc(NC(=O)NCCn3cc[nH+]c3)n2)c(F)c1 ZINC000367802591 446592661 /nfs/dbraw/zinc/59/26/61/446592661.db2.gz PWLBIQYYSSNHIL-UHFFFAOYSA-N 1 2 339.334 1.901 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)c2cccnc2C#N)c2cc(F)ccc2C[NH2+]1 ZINC000420466585 446644746 /nfs/dbraw/zinc/64/47/46/446644746.db2.gz WYJPNEUCWUIOSV-NSHDSACASA-N 1 2 346.387 1.779 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H](C)C(N)=O ZINC000437158099 446745045 /nfs/dbraw/zinc/74/50/45/446745045.db2.gz WOIJSMQJRDHFIA-SNVBAGLBSA-N 1 2 327.331 1.482 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H](C)C(N)=O ZINC000437158099 446745052 /nfs/dbraw/zinc/74/50/52/446745052.db2.gz WOIJSMQJRDHFIA-SNVBAGLBSA-N 1 2 327.331 1.482 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)C2)no1 ZINC000368388225 446829850 /nfs/dbraw/zinc/82/98/50/446829850.db2.gz AJQWHIKUIDYAIO-CQSZACIVSA-N 1 2 342.359 1.869 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)C2)no1 ZINC000368388225 446829861 /nfs/dbraw/zinc/82/98/61/446829861.db2.gz AJQWHIKUIDYAIO-CQSZACIVSA-N 1 2 342.359 1.869 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000368497490 446899679 /nfs/dbraw/zinc/89/96/79/446899679.db2.gz ZCTDFCRGFIIIBS-UHFFFAOYSA-N 1 2 336.461 1.910 20 30 EDEDLO C=CCCn1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)nn1 ZINC000424553851 446895906 /nfs/dbraw/zinc/89/59/06/446895906.db2.gz AQLHHILGJLXLOS-UHFFFAOYSA-N 1 2 326.404 1.779 20 30 EDEDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1cccc(C#N)c1 ZINC000442686018 446935715 /nfs/dbraw/zinc/93/57/15/446935715.db2.gz WDWXSOSRAMSIOT-BBRMVZONSA-N 1 2 349.456 1.244 20 30 EDEDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1cccc(C#N)c1 ZINC000442686018 446935719 /nfs/dbraw/zinc/93/57/19/446935719.db2.gz WDWXSOSRAMSIOT-BBRMVZONSA-N 1 2 349.456 1.244 20 30 EDEDLO C=CCC1(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CCOCC1 ZINC000424798312 446940812 /nfs/dbraw/zinc/94/08/12/446940812.db2.gz SJVOGQHUWZXNFS-HNNXBMFYSA-N 1 2 332.448 1.608 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000442816666 446978300 /nfs/dbraw/zinc/97/83/00/446978300.db2.gz FRNMVNOQHZGYNJ-GOSISDBHSA-N 1 2 344.415 1.489 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425210434 447064004 /nfs/dbraw/zinc/06/40/04/447064004.db2.gz RDBAWGRSIXQZSD-LBPRGKRZSA-N 1 2 343.387 1.256 20 30 EDEDLO COc1cc(C[C@@H](CO)CNc2cc(C)[nH+]cc2C#N)cc(OC)c1 ZINC000425230981 447072630 /nfs/dbraw/zinc/07/26/30/447072630.db2.gz MJXPILNFEMQXGQ-OAHLLOKOSA-N 1 2 341.411 1.964 20 30 EDEDLO C#CCCS(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000377390975 447105790 /nfs/dbraw/zinc/10/57/90/447105790.db2.gz RGAQATNRTDHOBQ-KBPBESRZSA-N 1 2 344.477 1.945 20 30 EDEDLO C#CCCS(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000377390975 447105798 /nfs/dbraw/zinc/10/57/98/447105798.db2.gz RGAQATNRTDHOBQ-KBPBESRZSA-N 1 2 344.477 1.945 20 30 EDEDLO Cc1cc(NCCOc2ccc(NS(C)(=O)=O)cc2)c(C#N)c[nH+]1 ZINC000425251908 447080813 /nfs/dbraw/zinc/08/08/13/447080813.db2.gz YMTMLSZWRCKHFH-UHFFFAOYSA-N 1 2 346.412 1.546 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000377364242 447091586 /nfs/dbraw/zinc/09/15/86/447091586.db2.gz RYYIRHWQFQHRQL-HNNXBMFYSA-N 1 2 330.413 1.611 20 30 EDEDLO C=CCn1cc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)nn1 ZINC000425398651 447144042 /nfs/dbraw/zinc/14/40/42/447144042.db2.gz NYJPPLRTVGGAFQ-UHFFFAOYSA-N 1 2 341.419 1.459 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377441378 447133726 /nfs/dbraw/zinc/13/37/26/447133726.db2.gz GJHISBBRPTYLAJ-LBPRGKRZSA-N 1 2 334.339 1.940 20 30 EDEDLO CC[C@@](C)(C(=O)OC)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC1CC1 ZINC000425518687 447207112 /nfs/dbraw/zinc/20/71/12/447207112.db2.gz ZVOTUKHVQURFRJ-MSOLQXFVSA-N 1 2 335.448 1.849 20 30 EDEDLO CC[C@@](C)(C(=O)OC)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC1CC1 ZINC000425518687 447207118 /nfs/dbraw/zinc/20/71/18/447207118.db2.gz ZVOTUKHVQURFRJ-MSOLQXFVSA-N 1 2 335.448 1.849 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2noc(CC)n2)C1 ZINC000377501184 447169312 /nfs/dbraw/zinc/16/93/12/447169312.db2.gz HEMMBGOOJXBISJ-VXGBXAGGSA-N 1 2 335.408 1.212 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2noc(CC)n2)C1 ZINC000377501184 447169320 /nfs/dbraw/zinc/16/93/20/447169320.db2.gz HEMMBGOOJXBISJ-VXGBXAGGSA-N 1 2 335.408 1.212 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000446764193 447256596 /nfs/dbraw/zinc/25/65/96/447256596.db2.gz DWMULPKANRTKJZ-HNNXBMFYSA-N 1 2 337.445 1.471 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000446764193 447256605 /nfs/dbraw/zinc/25/66/05/447256605.db2.gz DWMULPKANRTKJZ-HNNXBMFYSA-N 1 2 337.445 1.471 20 30 EDEDLO C=CC[C@@H]1N(C(=O)C(=O)NCCc2cn(C)c[nH+]2)CCCC1(C)C ZINC000422481269 447585861 /nfs/dbraw/zinc/58/58/61/447585861.db2.gz WEZIOHYVXKNVBZ-HNNXBMFYSA-N 1 2 332.448 1.672 20 30 EDEDLO Cn1c[nH+]c(CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)c1 ZINC000416538606 447638947 /nfs/dbraw/zinc/63/89/47/447638947.db2.gz WLLCWBWUCIBLSY-UHFFFAOYSA-N 1 2 338.820 1.661 20 30 EDEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000408316826 447650633 /nfs/dbraw/zinc/65/06/33/447650633.db2.gz DMKUULCNQQDDFM-QWRGUYRKSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000408316826 447650641 /nfs/dbraw/zinc/65/06/41/447650641.db2.gz DMKUULCNQQDDFM-QWRGUYRKSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000408155527 447634481 /nfs/dbraw/zinc/63/44/81/447634481.db2.gz RTIVDGFMNVECSP-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000408155527 447634487 /nfs/dbraw/zinc/63/44/87/447634487.db2.gz RTIVDGFMNVECSP-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C[N@H+](CC#Cc1ccccc1Cl)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428803899 447716492 /nfs/dbraw/zinc/71/64/92/447716492.db2.gz LZLHIGOZDGFZKT-CQSZACIVSA-N 1 2 326.849 1.657 20 30 EDEDLO C[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428803899 447716495 /nfs/dbraw/zinc/71/64/95/447716495.db2.gz LZLHIGOZDGFZKT-CQSZACIVSA-N 1 2 326.849 1.657 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000410688129 447722160 /nfs/dbraw/zinc/72/21/60/447722160.db2.gz MAZOLAQRPXNXCC-AWEZNQCLSA-N 1 2 333.436 1.040 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000451689209 447746534 /nfs/dbraw/zinc/74/65/34/447746534.db2.gz LJNLQRLHFUYFIT-GFCCVEGCSA-N 1 2 325.438 1.283 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000451713094 447747328 /nfs/dbraw/zinc/74/73/28/447747328.db2.gz TWRHACIPTSDGRQ-NVXWUHKLSA-N 1 2 340.489 1.476 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000451713094 447747333 /nfs/dbraw/zinc/74/73/33/447747333.db2.gz TWRHACIPTSDGRQ-NVXWUHKLSA-N 1 2 340.489 1.476 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)o1 ZINC000429848958 447757943 /nfs/dbraw/zinc/75/79/43/447757943.db2.gz JUOGOTSRYRWNTA-UHFFFAOYSA-N 1 2 335.367 1.757 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000496806047 447926574 /nfs/dbraw/zinc/92/65/74/447926574.db2.gz XYOMJZMSAYYMJD-CQSZACIVSA-N 1 2 342.403 1.700 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000496806047 447926580 /nfs/dbraw/zinc/92/65/80/447926580.db2.gz XYOMJZMSAYYMJD-CQSZACIVSA-N 1 2 342.403 1.700 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ccc(F)cc2)c1=O ZINC000570014878 447933647 /nfs/dbraw/zinc/93/36/47/447933647.db2.gz MRXAIHPQCFMXQS-UHFFFAOYSA-N 1 2 327.359 1.740 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2cc(F)ccc2F)n1 ZINC000491285833 447982785 /nfs/dbraw/zinc/98/27/85/447982785.db2.gz FRKXYNWUSCEMBP-SFHVURJKSA-N 1 2 349.381 1.977 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2cc(F)ccc2F)n1 ZINC000491285833 447982788 /nfs/dbraw/zinc/98/27/88/447982788.db2.gz FRKXYNWUSCEMBP-SFHVURJKSA-N 1 2 349.381 1.977 20 30 EDEDLO C#CCNC(=O)C1CCN(c2nc(C3CC3)[nH+]c(C)c2OC)CC1 ZINC000491414200 448018598 /nfs/dbraw/zinc/01/85/98/448018598.db2.gz BSYSDDPYZQWZID-UHFFFAOYSA-N 1 2 328.416 1.637 20 30 EDEDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)sc1C ZINC000526057012 448089134 /nfs/dbraw/zinc/08/91/34/448089134.db2.gz SGFNMKLUKWHQKD-CYBMUJFWSA-N 1 2 347.488 1.833 20 30 EDEDLO C=C(C)CNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496980956 448095041 /nfs/dbraw/zinc/09/50/41/448095041.db2.gz SOLZPPPYWYUQAK-ZDUSSCGKSA-N 1 2 326.441 1.413 20 30 EDEDLO C=C(C)CNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496980956 448095044 /nfs/dbraw/zinc/09/50/44/448095044.db2.gz SOLZPPPYWYUQAK-ZDUSSCGKSA-N 1 2 326.441 1.413 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C)CC1 ZINC000491806990 448135106 /nfs/dbraw/zinc/13/51/06/448135106.db2.gz RPIJACQRRQSFAA-UHFFFAOYSA-N 1 2 348.410 1.892 20 30 EDEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)cnc12 ZINC000556711354 448140525 /nfs/dbraw/zinc/14/05/25/448140525.db2.gz ZFAJOYYLAGEDQS-UHFFFAOYSA-N 1 2 344.382 1.190 20 30 EDEDLO C[C@@H]([NH2+][C@H](C)c1nnnn1-c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000527049453 448147861 /nfs/dbraw/zinc/14/78/61/448147861.db2.gz KHLJUUNPFKEGDX-CHWSQXEVSA-N 1 2 339.403 1.264 20 30 EDEDLO NC(=[NH+]OC[C@H]1CNC(=O)O1)c1ccc(OCc2cccnc2)cc1 ZINC000497097620 448197402 /nfs/dbraw/zinc/19/74/02/448197402.db2.gz TWNXCEDKODWJOH-OAHLLOKOSA-N 1 2 342.355 1.406 20 30 EDEDLO C=CCCc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000558634293 448199816 /nfs/dbraw/zinc/19/98/16/448199816.db2.gz UNQHDPYQULIUNG-OAHLLOKOSA-N 1 2 345.443 1.581 20 30 EDEDLO C=CCCc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000558634293 448199820 /nfs/dbraw/zinc/19/98/20/448199820.db2.gz UNQHDPYQULIUNG-OAHLLOKOSA-N 1 2 345.443 1.581 20 30 EDEDLO CCOC[C@H](C(=O)OC)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000591019980 448234539 /nfs/dbraw/zinc/23/45/39/448234539.db2.gz WMLGLNVRKHPVFM-OAHLLOKOSA-N 1 2 333.388 1.397 20 30 EDEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000591019980 448234546 /nfs/dbraw/zinc/23/45/46/448234546.db2.gz WMLGLNVRKHPVFM-OAHLLOKOSA-N 1 2 333.388 1.397 20 30 EDEDLO COc1cc([C@@H](C#N)NC(=O)C=Cc2c[nH]c[nH+]2)cc(OC)c1OC ZINC000492808721 448300357 /nfs/dbraw/zinc/30/03/57/448300357.db2.gz DLSPQRXBPCJECX-DSYXLKISSA-N 1 2 342.355 1.830 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000577573154 448327265 /nfs/dbraw/zinc/32/72/65/448327265.db2.gz LJZMRJUWNUFMGP-IAGOWNOFSA-N 1 2 347.463 1.229 20 30 EDEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3cccnc3)CC1)CCOC2 ZINC000584331982 448484842 /nfs/dbraw/zinc/48/48/42/448484842.db2.gz BKEDOILYJUPYNQ-UHFFFAOYSA-N 1 2 335.411 1.743 20 30 EDEDLO C[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[S@]1=O ZINC000528471717 448540913 /nfs/dbraw/zinc/54/09/13/448540913.db2.gz BIXKMWMPABIKSG-LFPIHBKWSA-N 1 2 344.436 1.129 20 30 EDEDLO C[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[S@]1=O ZINC000528471717 448540920 /nfs/dbraw/zinc/54/09/20/448540920.db2.gz BIXKMWMPABIKSG-LFPIHBKWSA-N 1 2 344.436 1.129 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1csc(-c2cccnc2)n1 ZINC000584755681 448617863 /nfs/dbraw/zinc/61/78/63/448617863.db2.gz PVIXURIXPVEVGQ-MRXNPFEDSA-N 1 2 329.429 1.708 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000573318184 448595417 /nfs/dbraw/zinc/59/54/17/448595417.db2.gz KNMYKYGONKMHPY-PEBXRYMYSA-N 1 2 343.880 1.837 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000573318184 448595422 /nfs/dbraw/zinc/59/54/22/448595422.db2.gz KNMYKYGONKMHPY-PEBXRYMYSA-N 1 2 343.880 1.837 20 30 EDEDLO N#CCC1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000541035212 448665851 /nfs/dbraw/zinc/66/58/51/448665851.db2.gz PPGDRGVWULJRNO-UHFFFAOYSA-N 1 2 343.431 1.753 20 30 EDEDLO N#CC1(NC(=O)C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)CCC1 ZINC000528761919 448666450 /nfs/dbraw/zinc/66/64/50/448666450.db2.gz HUDPWVQBZBOWJX-UHFFFAOYSA-N 1 2 337.427 1.852 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528775454 448670113 /nfs/dbraw/zinc/67/01/13/448670113.db2.gz FCQZZXOMTXROAN-KFWWJZLASA-N 1 2 326.462 1.227 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528775454 448670121 /nfs/dbraw/zinc/67/01/21/448670121.db2.gz FCQZZXOMTXROAN-KFWWJZLASA-N 1 2 326.462 1.227 20 30 EDEDLO CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592148959 448709230 /nfs/dbraw/zinc/70/92/30/448709230.db2.gz FXIBGYXGRCMLAW-LJQANCHMSA-N 1 2 345.443 1.832 20 30 EDEDLO CCCCOc1cccc(CNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592148959 448709232 /nfs/dbraw/zinc/70/92/32/448709232.db2.gz FXIBGYXGRCMLAW-LJQANCHMSA-N 1 2 345.443 1.832 20 30 EDEDLO CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149218 448710848 /nfs/dbraw/zinc/71/08/48/448710848.db2.gz KUXLDXHXKFTCEV-FQEVSTJZSA-N 1 2 343.471 1.993 20 30 EDEDLO CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149218 448710853 /nfs/dbraw/zinc/71/08/53/448710853.db2.gz KUXLDXHXKFTCEV-FQEVSTJZSA-N 1 2 343.471 1.993 20 30 EDEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150486 448712026 /nfs/dbraw/zinc/71/20/26/448712026.db2.gz DJNRVGSRGIFQSN-MEDUHNTESA-N 1 2 330.413 1.974 20 30 EDEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150486 448712028 /nfs/dbraw/zinc/71/20/28/448712028.db2.gz DJNRVGSRGIFQSN-MEDUHNTESA-N 1 2 330.413 1.974 20 30 EDEDLO CN1CCN(c2cc(NCCc3cccc(C#N)c3)[nH+]cn2)CC1=O ZINC000567369802 448680047 /nfs/dbraw/zinc/68/00/47/448680047.db2.gz VCNCDGCQDBLMBZ-UHFFFAOYSA-N 1 2 336.399 1.281 20 30 EDEDLO CN1CCN(c2cc(NCCc3cccc(C#N)c3)nc[nH+]2)CC1=O ZINC000567369802 448680050 /nfs/dbraw/zinc/68/00/50/448680050.db2.gz VCNCDGCQDBLMBZ-UHFFFAOYSA-N 1 2 336.399 1.281 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C#N)ncn3)CC2)n1 ZINC000519518436 448775062 /nfs/dbraw/zinc/77/50/62/448775062.db2.gz SPDRXNUKXMUOAC-LBPRGKRZSA-N 1 2 343.391 1.151 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cc(C#N)ncn3)CC2)n1 ZINC000519518436 448775065 /nfs/dbraw/zinc/77/50/65/448775065.db2.gz SPDRXNUKXMUOAC-LBPRGKRZSA-N 1 2 343.391 1.151 20 30 EDEDLO CN1CCN(c2cc(NCc3ccc(CC#N)cc3)[nH+]cn2)CC1=O ZINC000574035584 448775200 /nfs/dbraw/zinc/77/52/00/448775200.db2.gz CIEWJWAUMZWGPN-UHFFFAOYSA-N 1 2 336.399 1.433 20 30 EDEDLO CN1CCN(c2cc(NCc3ccc(CC#N)cc3)nc[nH+]2)CC1=O ZINC000574035584 448775205 /nfs/dbraw/zinc/77/52/05/448775205.db2.gz CIEWJWAUMZWGPN-UHFFFAOYSA-N 1 2 336.399 1.433 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccccc1Cn1cccn1 ZINC000519834790 448855983 /nfs/dbraw/zinc/85/59/83/448855983.db2.gz VCLYAERNQNUJKL-KRWDZBQOSA-N 1 2 325.416 1.829 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)cn1 ZINC000547708329 448918289 /nfs/dbraw/zinc/91/82/89/448918289.db2.gz TZLBSDTYYNFMCB-UHFFFAOYSA-N 1 2 349.438 1.668 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000568837149 448925805 /nfs/dbraw/zinc/92/58/05/448925805.db2.gz DHYFATSDRGNNJR-CVEARBPZSA-N 1 2 330.432 1.053 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(C)o1 ZINC000520351394 448886068 /nfs/dbraw/zinc/88/60/68/448886068.db2.gz UQISCXXCQACQBA-UHFFFAOYSA-N 1 2 340.383 1.964 20 30 EDEDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[NH2+][C@H]3CCC[C@@H]3C#N)n12 ZINC000589163652 448980493 /nfs/dbraw/zinc/98/04/93/448980493.db2.gz AOCXXTPKCZJWJU-OCCSQVGLSA-N 1 2 336.399 1.672 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000582115305 449014287 /nfs/dbraw/zinc/01/42/87/449014287.db2.gz LYSCWIFOMCJSEB-MRXNPFEDSA-N 1 2 341.459 1.472 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000522525909 449081526 /nfs/dbraw/zinc/08/15/26/449081526.db2.gz JXKSUYUBDOJZLR-CQSZACIVSA-N 1 2 347.415 1.027 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000522525909 449081531 /nfs/dbraw/zinc/08/15/31/449081531.db2.gz JXKSUYUBDOJZLR-CQSZACIVSA-N 1 2 347.415 1.027 20 30 EDEDLO C[N@H+](CC(=O)N1CCCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000589793039 449063270 /nfs/dbraw/zinc/06/32/70/449063270.db2.gz VNGXYMDOYDMHHV-INIZCTEOSA-N 1 2 326.400 1.218 20 30 EDEDLO C[N@@H+](CC(=O)N1CCCC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000589793039 449063274 /nfs/dbraw/zinc/06/32/74/449063274.db2.gz VNGXYMDOYDMHHV-INIZCTEOSA-N 1 2 326.400 1.218 20 30 EDEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000595621876 449085343 /nfs/dbraw/zinc/08/53/43/449085343.db2.gz YZNZXYYXRVHTBE-LBPRGKRZSA-N 1 2 343.366 1.366 20 30 EDEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000595621876 449085347 /nfs/dbraw/zinc/08/53/47/449085347.db2.gz YZNZXYYXRVHTBE-LBPRGKRZSA-N 1 2 343.366 1.366 20 30 EDEDLO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632805 449090862 /nfs/dbraw/zinc/09/08/62/449090862.db2.gz QUOKNXOTIIYILZ-UHFFFAOYSA-N 1 2 342.490 1.023 20 30 EDEDLO COCC[N@H+](CCC#N)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000593016297 449103403 /nfs/dbraw/zinc/10/34/03/449103403.db2.gz LOYLGMMXKAMFTF-UHFFFAOYSA-N 1 2 337.445 1.489 20 30 EDEDLO COCC[N@@H+](CCC#N)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000593016297 449103406 /nfs/dbraw/zinc/10/34/06/449103406.db2.gz LOYLGMMXKAMFTF-UHFFFAOYSA-N 1 2 337.445 1.489 20 30 EDEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000593019930 449104395 /nfs/dbraw/zinc/10/43/95/449104395.db2.gz NQVTXHNFGFOBGN-LBPRGKRZSA-N 1 2 341.371 1.207 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597821336 449107132 /nfs/dbraw/zinc/10/71/32/449107132.db2.gz SGFSYWNOCAVCLI-UHFFFAOYSA-N 1 2 337.464 1.658 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000597944059 449153308 /nfs/dbraw/zinc/15/33/08/449153308.db2.gz SYROWCBGUVAPKA-GFCCVEGCSA-N 1 2 329.429 1.870 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000597944059 449153314 /nfs/dbraw/zinc/15/33/14/449153314.db2.gz SYROWCBGUVAPKA-GFCCVEGCSA-N 1 2 329.429 1.870 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@]3(CC3(F)F)C2)nc1 ZINC000593115243 449142561 /nfs/dbraw/zinc/14/25/61/449142561.db2.gz BFMFOEQGFJYBJM-ZDUSSCGKSA-N 1 2 327.356 1.458 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@]3(CC3(F)F)C2)nc1 ZINC000593115243 449142563 /nfs/dbraw/zinc/14/25/63/449142563.db2.gz BFMFOEQGFJYBJM-ZDUSSCGKSA-N 1 2 327.356 1.458 20 30 EDEDLO N#CCCN1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000611174831 449200441 /nfs/dbraw/zinc/20/04/41/449200441.db2.gz NSKBGMLPDDQILU-MRXNPFEDSA-N 1 2 332.835 1.977 20 30 EDEDLO Cc1cc(N2CCC[C@@](C)(O)C2)c(C#N)c(N2CCC[C@](C)(O)C2)[nH+]1 ZINC000590582762 449201201 /nfs/dbraw/zinc/20/12/01/449201201.db2.gz UPCWKLGNTYRHPZ-MOPGFXCFSA-N 1 2 344.459 1.964 20 30 EDEDLO C[C@@]1(C#N)CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000595832330 449195467 /nfs/dbraw/zinc/19/54/67/449195467.db2.gz AVAAWOASUCTVNV-IBGZPJMESA-N 1 2 342.443 1.693 20 30 EDEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604468287 449234048 /nfs/dbraw/zinc/23/40/48/449234048.db2.gz CYXNDMADKVGUQL-AEFFLSMTSA-N 1 2 346.427 1.910 20 30 EDEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604468287 449234054 /nfs/dbraw/zinc/23/40/54/449234054.db2.gz CYXNDMADKVGUQL-AEFFLSMTSA-N 1 2 346.427 1.910 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000600231755 449256126 /nfs/dbraw/zinc/25/61/26/449256126.db2.gz GGZPXERQYQLVSK-MOPGFXCFSA-N 1 2 347.459 1.192 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000600231755 449256132 /nfs/dbraw/zinc/25/61/32/449256132.db2.gz GGZPXERQYQLVSK-MOPGFXCFSA-N 1 2 347.459 1.192 20 30 EDEDLO C[NH+]1CCC(n2cc(NS(=O)(=O)c3ccc(C#N)cc3)cn2)CC1 ZINC000601979160 449260181 /nfs/dbraw/zinc/26/01/81/449260181.db2.gz HKOUGIPBALTCDU-UHFFFAOYSA-N 1 2 345.428 1.822 20 30 EDEDLO N#CC1(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000611430662 449287931 /nfs/dbraw/zinc/28/79/31/449287931.db2.gz XFGBNUSPTIEQRE-UHFFFAOYSA-N 1 2 337.420 1.872 20 30 EDEDLO Cc1c(C#N)c(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)nn1C ZINC000594055040 449340213 /nfs/dbraw/zinc/34/02/13/449340213.db2.gz XYSRZEBIPMWPCL-CQSZACIVSA-N 1 2 331.807 2.495 20 30 EDEDLO Cn1ncc(C#N)c1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000596065053 449344706 /nfs/dbraw/zinc/34/47/06/449344706.db2.gz BHCMJOMKVTUMJF-UHFFFAOYSA-N 1 2 338.415 1.807 20 30 EDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000594047007 449336426 /nfs/dbraw/zinc/33/64/26/449336426.db2.gz JUGMPUMYIPOYAW-HNNXBMFYSA-N 1 2 329.444 1.964 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594282340 449427706 /nfs/dbraw/zinc/42/77/06/449427706.db2.gz OLFCKEJYQZOYMR-HOTGVXAUSA-N 1 2 328.460 1.489 20 30 EDEDLO Cn1ncc2c1CC(C)(C)C[N@@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)C2 ZINC000596598079 449567786 /nfs/dbraw/zinc/56/77/86/449567786.db2.gz KCGZLNYWQMVSSI-KRWDZBQOSA-N 1 2 337.427 1.903 20 30 EDEDLO Cn1ncc2c1CC(C)(C)C[N@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)C2 ZINC000596598079 449567790 /nfs/dbraw/zinc/56/77/90/449567790.db2.gz KCGZLNYWQMVSSI-KRWDZBQOSA-N 1 2 337.427 1.903 20 30 EDEDLO N#Cc1nccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000594555640 449574542 /nfs/dbraw/zinc/57/45/42/449574542.db2.gz BEDVMPMPBIWFDL-HNNXBMFYSA-N 1 2 343.818 1.857 20 30 EDEDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCC2(C#N)CC2)C1 ZINC000596587711 449563078 /nfs/dbraw/zinc/56/30/78/449563078.db2.gz WYNITBGPQOSHSA-QGZVFWFLSA-N 1 2 341.459 1.406 20 30 EDEDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCC2(C#N)CC2)C1 ZINC000596587711 449563084 /nfs/dbraw/zinc/56/30/84/449563084.db2.gz WYNITBGPQOSHSA-QGZVFWFLSA-N 1 2 341.459 1.406 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000598836476 449615227 /nfs/dbraw/zinc/61/52/27/449615227.db2.gz KGBINSKXPZELOK-YMTOWFKASA-N 1 2 343.353 1.493 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3Cc4c[nH+]cn4C3)C2)c(F)c1 ZINC000598946985 449664004 /nfs/dbraw/zinc/66/40/04/449664004.db2.gz KGKVRVFRNXYDHO-UONOGXRCSA-N 1 2 339.374 1.461 20 30 EDEDLO CNc1cnc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000598977156 449676799 /nfs/dbraw/zinc/67/67/99/449676799.db2.gz HJOVBJMXCPSARW-UHFFFAOYSA-N 1 2 336.399 1.348 20 30 EDEDLO N#CCc1ccccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000600981295 449631323 /nfs/dbraw/zinc/63/13/23/449631323.db2.gz FQAROXYKAMUYGE-UHFFFAOYSA-N 1 2 336.395 1.914 20 30 EDEDLO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000594790629 449700533 /nfs/dbraw/zinc/70/05/33/449700533.db2.gz VISAHFOLRDJYFC-NSHDSACASA-N 1 2 343.399 1.988 20 30 EDEDLO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000594790629 449700537 /nfs/dbraw/zinc/70/05/37/449700537.db2.gz VISAHFOLRDJYFC-NSHDSACASA-N 1 2 343.399 1.988 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(F)c3N)CC2)c1C#N ZINC000602629789 449717381 /nfs/dbraw/zinc/71/73/81/449717381.db2.gz JVPKTLMNFGDJNI-UHFFFAOYSA-N 1 2 328.395 1.644 20 30 EDEDLO CCS(=O)(=O)NC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000602657935 449735156 /nfs/dbraw/zinc/73/51/56/449735156.db2.gz UOSFYMJLXZTUEH-UHFFFAOYSA-N 1 2 325.409 1.601 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597180355 449857408 /nfs/dbraw/zinc/85/74/08/449857408.db2.gz QPYSLKVZQOSQFJ-UHFFFAOYSA-N 1 2 345.353 1.528 20 30 EDEDLO Cc1ccccc1CCNC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854661 449861300 /nfs/dbraw/zinc/86/13/00/449861300.db2.gz CXXWFBJNMQUBSX-IRXDYDNUSA-N 1 2 328.460 1.572 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccccc2)C[C@H](C)N1CC#N ZINC000602860468 449869833 /nfs/dbraw/zinc/86/98/33/449869833.db2.gz IKIGCLIQWQOCDV-OKILXGFUSA-N 1 2 329.404 1.253 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2ccccc2)C[C@H](C)N1CC#N ZINC000602860468 449869834 /nfs/dbraw/zinc/86/98/34/449869834.db2.gz IKIGCLIQWQOCDV-OKILXGFUSA-N 1 2 329.404 1.253 20 30 EDEDLO CCOc1ccc(NC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602861109 449872198 /nfs/dbraw/zinc/87/21/98/449872198.db2.gz KLAWPWYPTKRQRB-GJZGRUSLSA-N 1 2 330.432 1.942 20 30 EDEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863902 449872860 /nfs/dbraw/zinc/87/28/60/449872860.db2.gz PQMYQZHCXPKYJT-OKILXGFUSA-N 1 2 348.413 1.951 20 30 EDEDLO CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863902 449872864 /nfs/dbraw/zinc/87/28/64/449872864.db2.gz PQMYQZHCXPKYJT-OKILXGFUSA-N 1 2 348.413 1.951 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000601383632 449899720 /nfs/dbraw/zinc/89/97/20/449899720.db2.gz NNAKWBNHQMBSFE-RYUDHWBXSA-N 1 2 325.409 1.719 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000601383632 449899721 /nfs/dbraw/zinc/89/97/21/449899721.db2.gz NNAKWBNHQMBSFE-RYUDHWBXSA-N 1 2 325.409 1.719 20 30 EDEDLO COCCc1noc(C[N@H+](C)C[C@H](O)COc2ccccc2C#N)n1 ZINC000599310707 449882063 /nfs/dbraw/zinc/88/20/63/449882063.db2.gz ANIYCBUOHXSWHS-AWEZNQCLSA-N 1 2 346.387 1.002 20 30 EDEDLO COCCc1noc(C[N@@H+](C)C[C@H](O)COc2ccccc2C#N)n1 ZINC000599310707 449882071 /nfs/dbraw/zinc/88/20/71/449882071.db2.gz ANIYCBUOHXSWHS-AWEZNQCLSA-N 1 2 346.387 1.002 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc2ccccc2n1CC#N ZINC000609311448 450003066 /nfs/dbraw/zinc/00/30/66/450003066.db2.gz FJUIKZLZUNHASP-OAHLLOKOSA-N 1 2 339.443 1.531 20 30 EDEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nnc2n1CCCCC2 ZINC000613063263 450005289 /nfs/dbraw/zinc/00/52/89/450005289.db2.gz ZSGJNQCKGOXRFJ-CQSZACIVSA-N 1 2 344.463 1.998 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000609486002 450036523 /nfs/dbraw/zinc/03/65/23/450036523.db2.gz BOLDGQLCGBXVII-QAPCUYQASA-N 1 2 346.450 1.996 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000609538167 450045612 /nfs/dbraw/zinc/04/56/12/450045612.db2.gz NDNQSMFPGWAWIS-SOLBZPMBSA-N 1 2 333.480 1.595 20 30 EDEDLO N#Cc1c(NC(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)sc2c1CCCCC2 ZINC000603090210 450059363 /nfs/dbraw/zinc/05/93/63/450059363.db2.gz QCPDWYXDAXBBRT-PIGZYNQJSA-N 1 2 331.441 1.894 20 30 EDEDLO N#Cc1c(NC(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)sc2c1CCCCC2 ZINC000603090210 450059369 /nfs/dbraw/zinc/05/93/69/450059369.db2.gz QCPDWYXDAXBBRT-PIGZYNQJSA-N 1 2 331.441 1.894 20 30 EDEDLO N#Cc1cc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)ccn1 ZINC000603137453 450087287 /nfs/dbraw/zinc/08/72/87/450087287.db2.gz HGWLBIQVXHUHHJ-MRXNPFEDSA-N 1 2 347.444 1.283 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNc1c(C#N)cnc2c(F)ccc(F)c21 ZINC000610276169 450179803 /nfs/dbraw/zinc/17/98/03/450179803.db2.gz ZMNVWRYCDCUDQU-LLVKDONJSA-N 1 2 332.354 1.939 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNc1c(C#N)cnc2c(F)ccc(F)c21 ZINC000610276169 450179809 /nfs/dbraw/zinc/17/98/09/450179809.db2.gz ZMNVWRYCDCUDQU-LLVKDONJSA-N 1 2 332.354 1.939 20 30 EDEDLO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000610579543 450266725 /nfs/dbraw/zinc/26/67/25/450266725.db2.gz OTVVDZRZADIPAX-LBPRGKRZSA-N 1 2 334.445 1.985 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647274 450298028 /nfs/dbraw/zinc/29/80/28/450298028.db2.gz FIDJDUNZSXQEQE-RHSMWYFYSA-N 1 2 330.407 1.699 20 30 EDEDLO CC(C)OC[C@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000613753272 450299321 /nfs/dbraw/zinc/29/93/21/450299321.db2.gz AWRLTQIPAYZNGX-IEBWSBKVSA-N 1 2 348.443 1.618 20 30 EDEDLO CC(C)OC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000613753272 450299326 /nfs/dbraw/zinc/29/93/26/450299326.db2.gz AWRLTQIPAYZNGX-IEBWSBKVSA-N 1 2 348.443 1.618 20 30 EDEDLO CCN1CC[NH+]([C@@H](C)CNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000619694574 450308233 /nfs/dbraw/zinc/30/82/33/450308233.db2.gz BDIPNRYUFMSLAO-LBPRGKRZSA-N 1 2 341.381 2.410 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000619719364 450319392 /nfs/dbraw/zinc/31/93/92/450319392.db2.gz VDOUGUXWQVMVQD-ARFHVFGLSA-N 1 2 337.464 1.027 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619755962 450328030 /nfs/dbraw/zinc/32/80/30/450328030.db2.gz FWLMKZSELZPXQC-LBPRGKRZSA-N 1 2 336.823 1.732 20 30 EDEDLO N#CCn1c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc2ccccc21 ZINC000610913600 450379933 /nfs/dbraw/zinc/37/99/33/450379933.db2.gz GVEPMOQXMVZQKF-MRXNPFEDSA-N 1 2 338.411 1.712 20 30 EDEDLO C=C1CC(C)(C(=O)NCC[NH+]2CCN(C(=O)C3(C)CC(=C)C3)CC2)C1 ZINC000633097839 450682443 /nfs/dbraw/zinc/68/24/43/450682443.db2.gz HVFPGEJNKOCJRD-UHFFFAOYSA-N 1 2 345.487 1.959 20 30 EDEDLO C=C(C)C[C@@H]1NC(=O)N([C@H](C[NH+]2CCOCC2)c2ccccc2)C1=O ZINC000630966369 451512248 /nfs/dbraw/zinc/51/22/48/451512248.db2.gz XAEHNCWWCUUHGM-DLBZAZTESA-N 1 2 343.427 1.947 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cccc(C(C)=O)c2)nn1 ZINC000640755542 451553108 /nfs/dbraw/zinc/55/31/08/451553108.db2.gz DPQWKRMPKGPZLN-UHFFFAOYSA-N 1 2 325.372 1.232 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CCOCC(F)(F)C(F)(F)F)nn1 ZINC000641149030 451762260 /nfs/dbraw/zinc/76/22/60/451762260.db2.gz QIKRHAUQJCEHIK-UHFFFAOYSA-N 1 2 326.269 1.605 20 30 EDEDLO C=CCN(CCOC)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637529622 451926847 /nfs/dbraw/zinc/92/68/47/451926847.db2.gz ZTCZMRSVZVLCNW-QGZVFWFLSA-N 1 2 348.447 1.126 20 30 EDEDLO C=CCN(CCOC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637529622 451926852 /nfs/dbraw/zinc/92/68/52/451926852.db2.gz ZTCZMRSVZVLCNW-QGZVFWFLSA-N 1 2 348.447 1.126 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641543691 452075242 /nfs/dbraw/zinc/07/52/42/452075242.db2.gz WWIFHOHWQCJPCY-BBRMVZONSA-N 1 2 336.457 1.544 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641543691 452075247 /nfs/dbraw/zinc/07/52/47/452075247.db2.gz WWIFHOHWQCJPCY-BBRMVZONSA-N 1 2 336.457 1.544 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000666024801 452539701 /nfs/dbraw/zinc/53/97/01/452539701.db2.gz ZUVZZXAKOGFSLA-INIZCTEOSA-N 1 2 346.431 1.005 20 30 EDEDLO C=CCn1cc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)nn1 ZINC000648785967 453271463 /nfs/dbraw/zinc/27/14/63/453271463.db2.gz LQHHSXWQGJXDEK-AWEZNQCLSA-N 1 2 335.358 1.775 20 30 EDEDLO C=C[C@H](O)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000667364540 453578571 /nfs/dbraw/zinc/57/85/71/453578571.db2.gz JKDFEUXHHMNMMY-AWEZNQCLSA-N 1 2 334.807 1.179 20 30 EDEDLO C=CCCn1cc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)nn1 ZINC000657331426 453766370 /nfs/dbraw/zinc/76/63/70/453766370.db2.gz CLECDBLAADLDOR-UHFFFAOYSA-N 1 2 349.460 1.063 20 30 EDEDLO C=C(C)CN(Cc1ccc(CO)o1)c1nc(N2CCOCC2)cc[nH+]1 ZINC000672327144 486821859 /nfs/dbraw/zinc/82/18/59/486821859.db2.gz VTPRCKNFKZXMBL-UHFFFAOYSA-N 1 2 344.415 1.981 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000685588291 487299371 /nfs/dbraw/zinc/29/93/71/487299371.db2.gz BDTKZTCLQLRAEL-FUHWJXTLSA-N 1 2 329.400 1.961 20 30 EDEDLO C=CCOCCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000679629310 487448181 /nfs/dbraw/zinc/44/81/81/487448181.db2.gz BIVONDRHSKHSEC-UHFFFAOYSA-N 1 2 333.432 1.725 20 30 EDEDLO C=CCn1c(COC)nnc1N1CC[NH+]([C@H](C)c2nccs2)CC1 ZINC000669810378 486451824 /nfs/dbraw/zinc/45/18/24/486451824.db2.gz XONQLDCJHAAEFB-CYBMUJFWSA-N 1 2 348.476 1.950 20 30 EDEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1 ZINC000266863905 536441159 /nfs/dbraw/zinc/44/11/59/536441159.db2.gz VGTRYMUBTAKYLE-STQMWFEESA-N 1 2 338.205 1.461 20 30 EDEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1 ZINC000266863905 536441161 /nfs/dbraw/zinc/44/11/61/536441161.db2.gz VGTRYMUBTAKYLE-STQMWFEESA-N 1 2 338.205 1.461 20 30 EDEDLO C=CCc1cc(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)cc(OC)c1O ZINC000093706530 527236260 /nfs/dbraw/zinc/23/62/60/527236260.db2.gz OGFMEHNLSPZPRS-ZDUSSCGKSA-N 1 2 334.416 1.154 20 30 EDEDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000173641669 527960501 /nfs/dbraw/zinc/96/05/01/527960501.db2.gz BDLPXCZGXKCDFI-UHFFFAOYSA-N 1 2 331.416 1.772 20 30 EDEDLO C[NH+](C)c1ccc(N2CCC(=NNCCS(C)(=O)=O)CC2)cc1 ZINC000741460759 579418706 /nfs/dbraw/zinc/41/87/06/579418706.db2.gz PIOQQNTUKUYTSD-UHFFFAOYSA-N 1 2 338.477 1.343 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(NC(C)=O)c(OC)c(OC)c2)CC1 ZINC000742669842 579458957 /nfs/dbraw/zinc/45/89/57/579458957.db2.gz DFUIWIPIGCUMJU-UHFFFAOYSA-N 1 2 345.399 1.053 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(N2CCOC2=O)c1 ZINC000742952129 579466046 /nfs/dbraw/zinc/46/60/46/579466046.db2.gz XCKSNTHECRWQDK-AWEZNQCLSA-N 1 2 343.383 1.688 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(N2CCOC2=O)c1 ZINC000742952129 579466047 /nfs/dbraw/zinc/46/60/47/579466047.db2.gz XCKSNTHECRWQDK-AWEZNQCLSA-N 1 2 343.383 1.688 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(OCC#N)cc1 ZINC000729609850 578584566 /nfs/dbraw/zinc/58/45/66/578584566.db2.gz QCVABIKZUVYMKT-AWEZNQCLSA-N 1 2 332.404 1.109 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(OCC#N)cc1 ZINC000729609850 578584567 /nfs/dbraw/zinc/58/45/67/578584567.db2.gz QCVABIKZUVYMKT-AWEZNQCLSA-N 1 2 332.404 1.109 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 ZINC000730096871 578613864 /nfs/dbraw/zinc/61/38/64/578613864.db2.gz XWPWCRYBNOCDRM-INIZCTEOSA-N 1 2 341.411 1.858 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 ZINC000730096871 578613865 /nfs/dbraw/zinc/61/38/65/578613865.db2.gz XWPWCRYBNOCDRM-INIZCTEOSA-N 1 2 341.411 1.858 20 30 EDEDLO N#CCn1cc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC000732065273 578688929 /nfs/dbraw/zinc/68/89/29/578688929.db2.gz YGYMFWGDUGTLNI-UHFFFAOYSA-N 1 2 325.372 1.491 20 30 EDEDLO CS(=O)(=O)CCNN=C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000733204618 578751772 /nfs/dbraw/zinc/75/17/72/578751772.db2.gz WJYQUSCDXMFKJY-UHFFFAOYSA-N 1 2 334.445 1.144 20 30 EDEDLO C=CCN1CC(=O)N(Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)C1=O ZINC000761001321 580044138 /nfs/dbraw/zinc/04/41/38/580044138.db2.gz CLVRKKRAAFBOAE-KBPBESRZSA-N 1 2 344.415 1.645 20 30 EDEDLO C#CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000746153553 579574198 /nfs/dbraw/zinc/57/41/98/579574198.db2.gz ZLKOBYUZHGHVNG-DOTOQJQBSA-N 1 2 348.468 1.156 20 30 EDEDLO C#CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000746153553 579574199 /nfs/dbraw/zinc/57/41/99/579574199.db2.gz ZLKOBYUZHGHVNG-DOTOQJQBSA-N 1 2 348.468 1.156 20 30 EDEDLO CC(N=Nc1nccn(C)c1=O)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000748079256 579668682 /nfs/dbraw/zinc/66/86/82/579668682.db2.gz FIJASQBZSOUDDS-INIZCTEOSA-N 1 2 341.415 1.642 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2c(F)cccc2Cl)CC1 ZINC000748809479 579700612 /nfs/dbraw/zinc/70/06/12/579700612.db2.gz BBDWMDSVFAPVLR-UHFFFAOYSA-N 1 2 337.826 1.688 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCCc3cc(F)cc(C)c32)CC1 ZINC000748817115 579701662 /nfs/dbraw/zinc/70/16/62/579701662.db2.gz JLGQSXXHFZKNQQ-UHFFFAOYSA-N 1 2 329.419 1.664 20 30 EDEDLO CCOCCO[C@H]1CC[N@@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000750262341 579757489 /nfs/dbraw/zinc/75/74/89/579757489.db2.gz MQENYAJMJKKKPY-IRXDYDNUSA-N 1 2 332.400 1.900 20 30 EDEDLO CCOCCO[C@H]1CC[N@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000750262341 579757490 /nfs/dbraw/zinc/75/74/90/579757490.db2.gz MQENYAJMJKKKPY-IRXDYDNUSA-N 1 2 332.400 1.900 20 30 EDEDLO COc1cccc([C@@H](C#N)NC(=O)[C@@H](C)[NH+]2CCSCC2)c1OC ZINC000750863478 579784425 /nfs/dbraw/zinc/78/44/25/579784425.db2.gz FDRNMUQGLPSSLQ-TZMCWYRMSA-N 1 2 349.456 1.822 20 30 EDEDLO CCOc1cccc(C=[NH+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O ZINC000751890267 579826452 /nfs/dbraw/zinc/82/64/52/579826452.db2.gz LMIBCGILSADFKK-ZOBRYJGNSA-N 1 2 345.399 1.930 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C[C@@H]1CCOc2ccccc21 ZINC000752160311 579840143 /nfs/dbraw/zinc/84/01/43/579840143.db2.gz NIUINFYARUPGNJ-AWEZNQCLSA-N 1 2 348.472 1.335 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+](CCO)Cc1ccccc1 ZINC000754250535 579899333 /nfs/dbraw/zinc/89/93/33/579899333.db2.gz JHCMGWWBJYBNJJ-UHFFFAOYSA-N 1 2 348.406 1.915 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+](CCO)Cc1ccccc1 ZINC000754250535 579899334 /nfs/dbraw/zinc/89/93/34/579899334.db2.gz JHCMGWWBJYBNJJ-UHFFFAOYSA-N 1 2 348.406 1.915 20 30 EDEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccccc1[N+](=O)[O-] ZINC000755466154 579927636 /nfs/dbraw/zinc/92/76/36/579927636.db2.gz XECBRRKTYPYYES-UHFFFAOYSA-N 1 2 344.375 1.919 20 30 EDEDLO CN(CCCNC(=S)NN=Cc1c[nH+]cn1C)c1ccccc1 ZINC000755688974 579932624 /nfs/dbraw/zinc/93/26/24/579932624.db2.gz KBRSAFDUYSDANQ-UHFFFAOYSA-N 1 2 330.461 1.745 20 30 EDEDLO C#CCNC(=S)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000758188766 579976426 /nfs/dbraw/zinc/97/64/26/579976426.db2.gz ACHODRHCHSNIPA-HNNXBMFYSA-N 1 2 344.440 1.624 20 30 EDEDLO CCN(CC)C(=O)C1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758203083 579976784 /nfs/dbraw/zinc/97/67/84/579976784.db2.gz JXQFOUAIGBUJQV-UHFFFAOYSA-N 1 2 330.432 1.566 20 30 EDEDLO CC1(CO)CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000762624688 580079199 /nfs/dbraw/zinc/07/91/99/580079199.db2.gz DLZAQQXCQQDQHL-UHFFFAOYSA-N 1 2 326.400 1.514 20 30 EDEDLO COCc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000762665947 580080127 /nfs/dbraw/zinc/08/01/27/580080127.db2.gz VMUTXVGRFJUKAJ-UHFFFAOYSA-N 1 2 345.374 1.925 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000763239989 580096144 /nfs/dbraw/zinc/09/61/44/580096144.db2.gz BPIMFPXXIWIHMM-HZPDHXFCSA-N 1 2 332.400 1.634 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000763239989 580096145 /nfs/dbraw/zinc/09/61/45/580096145.db2.gz BPIMFPXXIWIHMM-HZPDHXFCSA-N 1 2 332.400 1.634 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)c1=O)CCC2 ZINC000766637021 580170940 /nfs/dbraw/zinc/17/09/40/580170940.db2.gz LEBXGKFQMCOOTE-CQSZACIVSA-N 1 2 329.400 1.251 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@@H](C4OCCO4)C3)c1=O)CCC2 ZINC000766637021 580170941 /nfs/dbraw/zinc/17/09/41/580170941.db2.gz LEBXGKFQMCOOTE-CQSZACIVSA-N 1 2 329.400 1.251 20 30 EDEDLO C#CCCN(CN1C[C@H](c2c[nH+]cn2C)CC1=O)CC(F)(F)F ZINC000767500338 580191279 /nfs/dbraw/zinc/19/12/79/580191279.db2.gz AHHNHVKJNYMZMK-GFCCVEGCSA-N 1 2 328.338 1.581 20 30 EDEDLO C#C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000773230446 580331216 /nfs/dbraw/zinc/33/12/16/580331216.db2.gz MUAYSGJFUXWAAP-CVEARBPZSA-N 1 2 328.416 1.530 20 30 EDEDLO C#C[C@@H](C)NC(=O)CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000775387586 580389952 /nfs/dbraw/zinc/38/99/52/580389952.db2.gz DXJYOOLXBIETDY-CQSZACIVSA-N 1 2 349.456 1.557 20 30 EDEDLO CN1CCc2cc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)ccc21 ZINC000778634485 580469208 /nfs/dbraw/zinc/46/92/08/580469208.db2.gz PZIUCEDQHQZXAK-UHFFFAOYSA-N 1 2 342.443 1.367 20 30 EDEDLO C=CC[C@H](C(=O)N1CC[NH+](CC[S@](C)=O)CC1)c1ccccc1 ZINC000778916590 580475518 /nfs/dbraw/zinc/47/55/18/580475518.db2.gz GVOWQQIVGNYDON-SBUREZEXSA-N 1 2 334.485 1.869 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000779163926 580480488 /nfs/dbraw/zinc/48/04/88/580480488.db2.gz HZGOKSPWBBZWFH-GFCCVEGCSA-N 1 2 342.848 1.476 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000779163926 580480489 /nfs/dbraw/zinc/48/04/89/580480489.db2.gz HZGOKSPWBBZWFH-GFCCVEGCSA-N 1 2 342.848 1.476 20 30 EDEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccc2n[nH]cc2c1 ZINC000779817873 580498475 /nfs/dbraw/zinc/49/84/75/580498475.db2.gz UNZOQTXEDWQWCD-UHFFFAOYSA-N 1 2 339.403 1.887 20 30 EDEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000780315658 580518296 /nfs/dbraw/zinc/51/82/96/580518296.db2.gz YFGCZLFKSQQIHL-INIZCTEOSA-N 1 2 332.379 1.460 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000780862792 580535384 /nfs/dbraw/zinc/53/53/84/580535384.db2.gz PLXBKGQGJOKRBO-KRWDZBQOSA-N 1 2 325.368 1.529 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@H](/N=C\c2ccc(O)c(O)c2O)C1=O ZINC000782881345 580587513 /nfs/dbraw/zinc/58/75/13/580587513.db2.gz TUQRFXANRPTAPG-AOPUEWEHSA-N 1 2 344.371 1.147 20 30 EDEDLO CN(C(=O)CO[NH+]=C(N)c1ccc(Br)cc1)C1CC1 ZINC000782949040 580588942 /nfs/dbraw/zinc/58/89/42/580588942.db2.gz PNKIQFBJTSLKOJ-UHFFFAOYSA-N 1 2 326.194 1.707 20 30 EDEDLO O=C(NCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)C1N=CC=CC1=O ZINC000783252476 580596626 /nfs/dbraw/zinc/59/66/26/580596626.db2.gz QUFWQZNBMVCOTP-ZMMDAZFZSA-N 1 2 337.383 1.615 20 30 EDEDLO C#CCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000784552860 580623786 /nfs/dbraw/zinc/62/37/86/580623786.db2.gz XSISKFVRXAIVHK-HNNXBMFYSA-N 1 2 330.363 1.598 20 30 EDEDLO C#CCOc1cccc(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000784632427 580625398 /nfs/dbraw/zinc/62/53/98/580625398.db2.gz BOZMCWVEGDMNTM-UHFFFAOYSA-N 1 2 334.335 1.924 20 30 EDEDLO C[C@H](O)C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@@H](C)CO ZINC000785536370 580646857 /nfs/dbraw/zinc/64/68/57/580646857.db2.gz FCOUIHWOVLOKOF-RWMBFGLXSA-N 1 2 347.440 1.536 20 30 EDEDLO C[C@H](O)C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@@H](C)CO ZINC000785536370 580646858 /nfs/dbraw/zinc/64/68/58/580646858.db2.gz FCOUIHWOVLOKOF-RWMBFGLXSA-N 1 2 347.440 1.536 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000787268887 580691207 /nfs/dbraw/zinc/69/12/07/580691207.db2.gz IZDCEKHRGLGNKQ-STQMWFEESA-N 1 2 335.477 1.046 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000787449101 580695508 /nfs/dbraw/zinc/69/55/08/580695508.db2.gz PQHGBRXIXGNUME-CQSZACIVSA-N 1 2 341.415 1.745 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788475891 580722375 /nfs/dbraw/zinc/72/23/75/580722375.db2.gz VSAIJBLZVGEUAJ-AWEZNQCLSA-N 1 2 345.428 1.727 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)c1C#N ZINC000789599112 580750233 /nfs/dbraw/zinc/75/02/33/580750233.db2.gz DBBFNHWYDNXGQG-UHFFFAOYSA-N 1 2 345.750 1.173 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000793554118 580847608 /nfs/dbraw/zinc/84/76/08/580847608.db2.gz SSGNBBHDBPSYHB-BXKMTCNYSA-N 1 2 347.484 1.597 20 30 EDEDLO Cc1ccn(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(=O)c1C#N ZINC000793588310 580848301 /nfs/dbraw/zinc/84/83/01/580848301.db2.gz ALNDOXOVGBEYPW-HNNXBMFYSA-N 1 2 335.367 1.406 20 30 EDEDLO Cc1ccn(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(=O)c1C#N ZINC000793588310 580848302 /nfs/dbraw/zinc/84/83/02/580848302.db2.gz ALNDOXOVGBEYPW-HNNXBMFYSA-N 1 2 335.367 1.406 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000793853927 580858100 /nfs/dbraw/zinc/85/81/00/580858100.db2.gz YGRFJHRCBCLISF-AWEZNQCLSA-N 1 2 328.347 1.590 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1noc(-c2cccc(F)c2)n1 ZINC000793853927 580858101 /nfs/dbraw/zinc/85/81/01/580858101.db2.gz YGRFJHRCBCLISF-AWEZNQCLSA-N 1 2 328.347 1.590 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCN(C(=O)OCC)CC1)Cc1ccccc1 ZINC000796631750 580958515 /nfs/dbraw/zinc/95/85/15/580958515.db2.gz HZPBISMAWPZTGO-UHFFFAOYSA-N 1 2 343.427 1.423 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCN(C(=O)OCC)CC1)Cc1ccccc1 ZINC000796631750 580958516 /nfs/dbraw/zinc/95/85/16/580958516.db2.gz HZPBISMAWPZTGO-UHFFFAOYSA-N 1 2 343.427 1.423 20 30 EDEDLO C#CC[N@H+](Cc1ccccc1)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 ZINC000796634030 580958570 /nfs/dbraw/zinc/95/85/70/580958570.db2.gz XMGCAYCEFWESJL-AWEZNQCLSA-N 1 2 341.411 1.640 20 30 EDEDLO C#CC[N@@H+](Cc1ccccc1)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 ZINC000796634030 580958571 /nfs/dbraw/zinc/95/85/71/580958571.db2.gz XMGCAYCEFWESJL-AWEZNQCLSA-N 1 2 341.411 1.640 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000798797119 581009063 /nfs/dbraw/zinc/00/90/63/581009063.db2.gz JTAAQTYJHMAXSS-CQSZACIVSA-N 1 2 340.383 1.621 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1=O ZINC000799143422 581018755 /nfs/dbraw/zinc/01/87/55/581018755.db2.gz JXANSIVZTYGXNY-CQSZACIVSA-N 1 2 344.375 1.324 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1=O ZINC000799143422 581018756 /nfs/dbraw/zinc/01/87/56/581018756.db2.gz JXANSIVZTYGXNY-CQSZACIVSA-N 1 2 344.375 1.324 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000800035479 581041125 /nfs/dbraw/zinc/04/11/25/581041125.db2.gz HVWLJULJSUOHHY-NSHDSACASA-N 1 2 340.449 1.523 20 30 EDEDLO Cc1c(Br)c(C)n(N=Cc2ccc(N)[nH+]c2)c(=O)c1C#N ZINC000807985091 591000959 /nfs/dbraw/zinc/00/09/59/591000959.db2.gz JSHMGEIRYUKXOB-UHFFFAOYSA-N 1 2 346.188 1.959 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3nc(C)oc3c2)C1 ZINC000891608057 591146274 /nfs/dbraw/zinc/14/62/74/591146274.db2.gz WOJXBXXPIBANAG-AWEZNQCLSA-N 1 2 340.383 1.289 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3nc(C)oc3c2)C1 ZINC000891608057 591146276 /nfs/dbraw/zinc/14/62/76/591146276.db2.gz WOJXBXXPIBANAG-AWEZNQCLSA-N 1 2 340.383 1.289 20 30 EDEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898498550 591381547 /nfs/dbraw/zinc/38/15/47/591381547.db2.gz KDWOCHLMCVHQHD-CXAGYDPISA-N 1 2 341.427 1.798 20 30 EDEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898498550 591381552 /nfs/dbraw/zinc/38/15/52/591381552.db2.gz KDWOCHLMCVHQHD-CXAGYDPISA-N 1 2 341.427 1.798 20 30 EDEDLO C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(=O)O1 ZINC000896327730 591428429 /nfs/dbraw/zinc/42/84/29/591428429.db2.gz BDBVATNSBHUITL-BBRMVZONSA-N 1 2 342.399 1.089 20 30 EDEDLO COc1ccc2[nH+]ccc(N3C[C@@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2c1 ZINC000896398375 591450926 /nfs/dbraw/zinc/45/09/26/591450926.db2.gz KETOBHVHDWJPKN-PXAZEXFGSA-N 1 2 343.408 1.618 20 30 EDEDLO C=CCc1ccc(OCC(=O)N[C@@H](CO)c2c[nH+]cn2C)c(OC)c1 ZINC000898880863 591573784 /nfs/dbraw/zinc/57/37/84/591573784.db2.gz HBVCAJMEGXJDKO-AWEZNQCLSA-N 1 2 345.399 1.386 20 30 EDEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000898884469 591577341 /nfs/dbraw/zinc/57/73/41/591577341.db2.gz QUNFYFMYMUOJIW-HOTGVXAUSA-N 1 2 339.399 1.110 20 30 EDEDLO N#Cc1ccc(Cl)c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000899061135 591665449 /nfs/dbraw/zinc/66/54/49/591665449.db2.gz FICPIVQJAOTQMM-UHFFFAOYSA-N 1 2 335.791 1.390 20 30 EDEDLO N#Cc1ccc(Cl)c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC000899061135 591665452 /nfs/dbraw/zinc/66/54/52/591665452.db2.gz FICPIVQJAOTQMM-UHFFFAOYSA-N 1 2 335.791 1.390 20 30 EDEDLO C=CCC[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(=O)OCC ZINC000897918209 591720896 /nfs/dbraw/zinc/72/08/96/591720896.db2.gz AARVWCYOGHGVQN-IUODEOHRSA-N 1 2 334.420 1.804 20 30 EDEDLO C=CCC[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(=O)OCC ZINC000897918209 591720899 /nfs/dbraw/zinc/72/08/99/591720899.db2.gz AARVWCYOGHGVQN-IUODEOHRSA-N 1 2 334.420 1.804 20 30 EDEDLO C=CCC[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)C(=O)OCC ZINC000897918209 591720901 /nfs/dbraw/zinc/72/09/01/591720901.db2.gz AARVWCYOGHGVQN-IUODEOHRSA-N 1 2 334.420 1.804 20 30 EDEDLO C=CCC[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)C(=O)OCC ZINC000897918209 591720905 /nfs/dbraw/zinc/72/09/05/591720905.db2.gz AARVWCYOGHGVQN-IUODEOHRSA-N 1 2 334.420 1.804 20 30 EDEDLO O=C1C[C@@H]([NH+]2CCC3(CC2)CC(=O)C=CO3)C(=O)N1CC(F)(F)F ZINC000899254138 591746253 /nfs/dbraw/zinc/74/62/53/591746253.db2.gz ORRXZCGKAJWKMK-LLVKDONJSA-N 1 2 346.305 1.014 20 30 EDEDLO Cc1c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cnn1CCC#N ZINC000895483018 591777470 /nfs/dbraw/zinc/77/74/70/591777470.db2.gz KYQXEGULRSNDDD-UHFFFAOYSA-N 1 2 330.417 1.802 20 30 EDEDLO Cc1c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cnn1CCC#N ZINC000895483018 591777475 /nfs/dbraw/zinc/77/74/75/591777475.db2.gz KYQXEGULRSNDDD-UHFFFAOYSA-N 1 2 330.417 1.802 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)/C=C(/C)C[NH+]2CCOCC2)cc1 ZINC000900288899 591973249 /nfs/dbraw/zinc/97/32/49/591973249.db2.gz APZJBSKZSCRHIZ-SQFISAMPSA-N 1 2 343.427 1.819 20 30 EDEDLO CCO[C@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000902527619 592010852 /nfs/dbraw/zinc/01/08/52/592010852.db2.gz KDWPTBYHEXGWFD-YJBOKZPZSA-N 1 2 342.399 1.394 20 30 EDEDLO CCO[C@H]1CC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000902527619 592010854 /nfs/dbraw/zinc/01/08/54/592010854.db2.gz KDWPTBYHEXGWFD-YJBOKZPZSA-N 1 2 342.399 1.394 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2ccc3cc[nH]c3c2)nn1 ZINC000900613747 592071158 /nfs/dbraw/zinc/07/11/58/592071158.db2.gz ULULZLNLLGHOAO-MRXNPFEDSA-N 1 2 339.399 1.312 20 30 EDEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(CC#N)ccn2)C1 ZINC000901096359 592230590 /nfs/dbraw/zinc/23/05/90/592230590.db2.gz SZJASJOFCSGXGL-CQSZACIVSA-N 1 2 330.388 1.361 20 30 EDEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(CC#N)ccn2)C1 ZINC000901096359 592230593 /nfs/dbraw/zinc/23/05/93/592230593.db2.gz SZJASJOFCSGXGL-CQSZACIVSA-N 1 2 330.388 1.361 20 30 EDEDLO COc1ccc(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)cc1C#N ZINC000901159420 592266477 /nfs/dbraw/zinc/26/64/77/592266477.db2.gz CGRTXQBLEOMVJF-NTEUORMPSA-N 1 2 329.400 1.462 20 30 EDEDLO CO[C@H]1CC[N@H+](Cc2nc(C(=O)N(CC#N)C3CCCC3)co2)C1 ZINC000906761199 592318949 /nfs/dbraw/zinc/31/89/49/592318949.db2.gz ONDUJERNYIDSGQ-AWEZNQCLSA-N 1 2 332.404 1.804 20 30 EDEDLO CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N(CC#N)C3CCCC3)co2)C1 ZINC000906761199 592318953 /nfs/dbraw/zinc/31/89/53/592318953.db2.gz ONDUJERNYIDSGQ-AWEZNQCLSA-N 1 2 332.404 1.804 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1[C@H](CNC(=O)c2ccsc2C#N)CC(=O)N1C ZINC000908110853 592325683 /nfs/dbraw/zinc/32/56/83/592325683.db2.gz ZOXWDYFNAWNWIH-IINYFYTJSA-N 1 2 343.412 1.303 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000906788869 592344481 /nfs/dbraw/zinc/34/44/81/592344481.db2.gz RHMQFLNSRKHNGS-UHFFFAOYSA-N 1 2 344.234 1.257 20 30 EDEDLO Cc1cc(OC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)ccc1C#N ZINC000904901180 592348284 /nfs/dbraw/zinc/34/82/84/592348284.db2.gz BGHYCRBIFFFJIP-SJORKVTESA-N 1 2 330.384 1.652 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3ccncc3)CC2)o1 ZINC000907345095 592597579 /nfs/dbraw/zinc/59/75/79/592597579.db2.gz WFFUKUAQVRUHBL-UHFFFAOYSA-N 1 2 346.412 1.095 20 30 EDEDLO C=CC[C@@H]([NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1)C(=O)OC ZINC000905779228 592636563 /nfs/dbraw/zinc/63/65/63/592636563.db2.gz UZFOJSUMKBGBRR-CQSZACIVSA-N 1 2 326.437 1.500 20 30 EDEDLO C=CC[C@@H](NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)C(=O)OC ZINC000905779228 592636565 /nfs/dbraw/zinc/63/65/65/592636565.db2.gz UZFOJSUMKBGBRR-CQSZACIVSA-N 1 2 326.437 1.500 20 30 EDEDLO CC1(C)CN(C(=O)C(F)(F)c2ccccc2C#N)CC[N@@H+]1CCO ZINC000907598308 592726801 /nfs/dbraw/zinc/72/68/01/592726801.db2.gz CQVVAXMZIUBWTI-UHFFFAOYSA-N 1 2 337.370 1.565 20 30 EDEDLO CC1(C)CN(C(=O)C(F)(F)c2ccccc2C#N)CC[N@H+]1CCO ZINC000907598308 592726802 /nfs/dbraw/zinc/72/68/02/592726802.db2.gz CQVVAXMZIUBWTI-UHFFFAOYSA-N 1 2 337.370 1.565 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3Cc4cccnc4C3=O)C2)nc1 ZINC000840079793 593128947 /nfs/dbraw/zinc/12/89/47/593128947.db2.gz VJBZMQCOJKDUCW-OAHLLOKOSA-N 1 2 335.367 1.415 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3Cc4cccnc4C3=O)C2)nc1 ZINC000840079793 593128949 /nfs/dbraw/zinc/12/89/49/593128949.db2.gz VJBZMQCOJKDUCW-OAHLLOKOSA-N 1 2 335.367 1.415 20 30 EDEDLO COC[C@@H]1CC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000840083774 593143248 /nfs/dbraw/zinc/14/32/48/593143248.db2.gz NKNAWUXGBSMXLS-WMLDXEAASA-N 1 2 328.372 1.003 20 30 EDEDLO COC[C@@H]1CC[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000840083774 593143250 /nfs/dbraw/zinc/14/32/50/593143250.db2.gz NKNAWUXGBSMXLS-WMLDXEAASA-N 1 2 328.372 1.003 20 30 EDEDLO C=CC[C@H](NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccncc1 ZINC000805811204 593146548 /nfs/dbraw/zinc/14/65/48/593146548.db2.gz NQVFRMLFMQWNOF-CABCVRRESA-N 1 2 339.399 1.143 20 30 EDEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000807280118 593158985 /nfs/dbraw/zinc/15/89/85/593158985.db2.gz COYXBUZSCOMYBI-ZDUSSCGKSA-N 1 2 332.747 1.380 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000838498882 593174653 /nfs/dbraw/zinc/17/46/53/593174653.db2.gz FOKILKRPNVHGHS-IAGOWNOFSA-N 1 2 338.411 1.748 20 30 EDEDLO C[C@H]1CN(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C(=O)[C@H]1C ZINC000839960456 593240674 /nfs/dbraw/zinc/24/06/74/593240674.db2.gz KIMCRFQNBKDZFM-KBPBESRZSA-N 1 2 330.407 1.891 20 30 EDEDLO S=C(NC[C@H]1CCCO1)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000839393344 593297144 /nfs/dbraw/zinc/29/71/44/593297144.db2.gz YNAAPMOTAXZTSV-MRXNPFEDSA-N 1 2 332.473 1.891 20 30 EDEDLO S=C(NC[C@H]1CCCO1)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000839393344 593297146 /nfs/dbraw/zinc/29/71/46/593297146.db2.gz YNAAPMOTAXZTSV-MRXNPFEDSA-N 1 2 332.473 1.891 20 30 EDEDLO COC(=O)[C@@]1(C)CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000840184907 593359600 /nfs/dbraw/zinc/35/96/00/593359600.db2.gz SUTJQHOJFXGJMZ-IBGZPJMESA-N 1 2 343.427 1.831 20 30 EDEDLO COC(=O)[C@@]1(C)CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000840184907 593359603 /nfs/dbraw/zinc/35/96/03/593359603.db2.gz SUTJQHOJFXGJMZ-IBGZPJMESA-N 1 2 343.427 1.831 20 30 EDEDLO C#CCNC(=S)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000758187772 593395736 /nfs/dbraw/zinc/39/57/36/593395736.db2.gz FWEXXNPIDSEZJM-UHFFFAOYSA-N 1 2 332.473 1.114 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)Nc2nc(Cl)cc(NN)[nH+]2)cc1F ZINC000810402837 593399266 /nfs/dbraw/zinc/39/92/66/593399266.db2.gz NVDJZXWRJQUOOO-UHFFFAOYSA-N 1 2 349.713 1.004 20 30 EDEDLO c1cn(-c2ccc(N=NCC3CCC4(CC3)OCCO4)nn2)c[nH+]1 ZINC000761845088 593422472 /nfs/dbraw/zinc/42/24/72/593422472.db2.gz GMKXIDJACHHMGM-UHFFFAOYSA-N 1 2 328.376 1.993 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000840265650 593508438 /nfs/dbraw/zinc/50/84/38/593508438.db2.gz GKZMYDGNYOUQSH-QHCPKHFHSA-N 1 2 346.378 1.473 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC)CC1 ZINC000818183728 593678540 /nfs/dbraw/zinc/67/85/40/593678540.db2.gz DGHLNEBCRKSMQW-GOSISDBHSA-N 1 2 347.463 1.094 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000823889928 593880237 /nfs/dbraw/zinc/88/02/37/593880237.db2.gz HAZQTOACPNPFLP-AEFFLSMTSA-N 1 2 328.460 1.466 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000823889928 593880240 /nfs/dbraw/zinc/88/02/40/593880240.db2.gz HAZQTOACPNPFLP-AEFFLSMTSA-N 1 2 328.460 1.466 20 30 EDEDLO Cn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)n1 ZINC000822218299 594012958 /nfs/dbraw/zinc/01/29/58/594012958.db2.gz FBPAVMJZXGWVGX-UHFFFAOYSA-N 1 2 343.818 1.903 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000825965741 594293173 /nfs/dbraw/zinc/29/31/73/594293173.db2.gz WPAZUVXEPWOWKP-UHFFFAOYSA-N 1 2 331.445 1.536 20 30 EDEDLO C#CC1CC[NH+](CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000830305797 594372127 /nfs/dbraw/zinc/37/21/27/594372127.db2.gz VMLHWMGMWIHFCT-MRXNPFEDSA-N 1 2 340.489 1.147 20 30 EDEDLO Cc1ccc(-c2nn[nH]n2)c(N2CCc3c(C#N)c(N)sc3C2)[nH+]1 ZINC000826275017 594407457 /nfs/dbraw/zinc/40/74/57/594407457.db2.gz LSSOSMWDQFSQBB-UHFFFAOYSA-N 1 2 338.400 1.648 20 30 EDEDLO C#CCN(CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C(=O)OC(C)(C)C ZINC000830663180 594450975 /nfs/dbraw/zinc/45/09/75/594450975.db2.gz ZVYKSJLMIJKKPE-LBPRGKRZSA-N 1 2 332.404 1.254 20 30 EDEDLO C#CCN(CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C(=O)OC(C)(C)C ZINC000830663180 594450977 /nfs/dbraw/zinc/45/09/77/594450977.db2.gz ZVYKSJLMIJKKPE-LBPRGKRZSA-N 1 2 332.404 1.254 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000826385082 594454178 /nfs/dbraw/zinc/45/41/78/594454178.db2.gz WJUGFACMIWLTMF-UHFFFAOYSA-N 1 2 349.398 1.649 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000826385082 594454179 /nfs/dbraw/zinc/45/41/79/594454179.db2.gz WJUGFACMIWLTMF-UHFFFAOYSA-N 1 2 349.398 1.649 20 30 EDEDLO COC(=O)C1(C#N)CCN(c2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000828975907 594541222 /nfs/dbraw/zinc/54/12/22/594541222.db2.gz UFSARELRMBGLBX-UHFFFAOYSA-N 1 2 339.399 1.979 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000831517808 594680226 /nfs/dbraw/zinc/68/02/26/594680226.db2.gz IIIKOUYLWWLMIL-INIZCTEOSA-N 1 2 345.447 1.483 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000831694695 594693489 /nfs/dbraw/zinc/69/34/89/594693489.db2.gz HEDAPFVIYSSXKU-MRXNPFEDSA-N 1 2 341.411 1.785 20 30 EDEDLO C#CCO[C@@H](C)C(=O)OCC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000835368624 594818459 /nfs/dbraw/zinc/81/84/59/594818459.db2.gz MGMZGOYIJDKZGP-UONOGXRCSA-N 1 2 325.405 1.374 20 30 EDEDLO C#CCO[C@@H](C)C(=O)OCC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000835368624 594818461 /nfs/dbraw/zinc/81/84/61/594818461.db2.gz MGMZGOYIJDKZGP-UONOGXRCSA-N 1 2 325.405 1.374 20 30 EDEDLO CN(C(=O)c1ccccc1OCC#N)C(C)(C)C[NH+]1CCOCC1 ZINC000841347705 594887101 /nfs/dbraw/zinc/88/71/01/594887101.db2.gz VKLASDVXCBMKKZ-UHFFFAOYSA-N 1 2 331.416 1.772 20 30 EDEDLO N#Cc1ccccc1CN1C(=O)CN(C[NH+]2CCSCC2)C1=O ZINC000102390462 594942880 /nfs/dbraw/zinc/94/28/80/594942880.db2.gz KHGLBKYAOYFDNE-UHFFFAOYSA-N 1 2 330.413 1.329 20 30 EDEDLO C=C(CC)CNC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000836344844 594953324 /nfs/dbraw/zinc/95/33/24/594953324.db2.gz ICBNJQOBJCAHJW-UHFFFAOYSA-N 1 2 340.468 1.805 20 30 EDEDLO C#Cc1cccc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000836659041 594985000 /nfs/dbraw/zinc/98/50/00/594985000.db2.gz VFYCPRMPVYOMPZ-MAUKXSAKSA-N 1 2 327.428 1.673 20 30 EDEDLO C=C[C@H](C)ONC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000845634854 595035944 /nfs/dbraw/zinc/03/59/44/595035944.db2.gz WHYQZHCWPCDZFQ-XHDPSFHLSA-N 1 2 343.387 1.331 20 30 EDEDLO C#CC[C@@H]1NC(=O)N([C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000842244885 595053164 /nfs/dbraw/zinc/05/31/64/595053164.db2.gz ORAURBTWSVHIBI-HYVNUMGLSA-N 1 2 341.411 1.220 20 30 EDEDLO C#CC[C@@H]1NC(=O)N([C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000842244885 595053166 /nfs/dbraw/zinc/05/31/66/595053166.db2.gz ORAURBTWSVHIBI-HYVNUMGLSA-N 1 2 341.411 1.220 20 30 EDEDLO C#C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 ZINC000847023513 595352493 /nfs/dbraw/zinc/35/24/93/595352493.db2.gz CWYOVPPZSVXVMG-GXTWGEPZSA-N 1 2 332.425 1.985 20 30 EDEDLO C#C[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 ZINC000847023513 595352495 /nfs/dbraw/zinc/35/24/95/595352495.db2.gz CWYOVPPZSVXVMG-GXTWGEPZSA-N 1 2 332.425 1.985 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)C1 ZINC000847032811 595354291 /nfs/dbraw/zinc/35/42/91/595354291.db2.gz VCCIPCIIZFSAPZ-LBPRGKRZSA-N 1 2 328.372 1.829 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2oc(C)c3c2c(=O)[nH]nc3C)C1 ZINC000847032811 595354293 /nfs/dbraw/zinc/35/42/93/595354293.db2.gz VCCIPCIIZFSAPZ-LBPRGKRZSA-N 1 2 328.372 1.829 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000847151165 595368337 /nfs/dbraw/zinc/36/83/37/595368337.db2.gz KPTCYIUNQUVNAX-OAHLLOKOSA-N 1 2 331.420 1.092 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000847279822 595386805 /nfs/dbraw/zinc/38/68/05/595386805.db2.gz IYYACAUTCJLGLS-OAHLLOKOSA-N 1 2 328.416 1.473 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000848493285 595395448 /nfs/dbraw/zinc/39/54/48/595395448.db2.gz LQVOEUIBKLGVMU-LIRRHRJNSA-N 1 2 336.395 1.628 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000848493285 595395451 /nfs/dbraw/zinc/39/54/51/595395451.db2.gz LQVOEUIBKLGVMU-LIRRHRJNSA-N 1 2 336.395 1.628 20 30 EDEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000848674480 595426527 /nfs/dbraw/zinc/42/65/27/595426527.db2.gz DSXLUXNKHLTFMC-CQSZACIVSA-N 1 2 335.371 1.395 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCCC)cc2)CC1 ZINC000112920480 595569260 /nfs/dbraw/zinc/56/92/60/595569260.db2.gz YOYFBJFHPKDSHL-UHFFFAOYSA-N 1 2 342.443 1.538 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860161524 595601254 /nfs/dbraw/zinc/60/12/54/595601254.db2.gz HDDWBBJUACUCEG-OPQQBVKSSA-N 1 2 345.424 1.540 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860161524 595601256 /nfs/dbraw/zinc/60/12/56/595601256.db2.gz HDDWBBJUACUCEG-OPQQBVKSSA-N 1 2 345.424 1.540 20 30 EDEDLO Cc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1N ZINC000850777092 595629229 /nfs/dbraw/zinc/62/92/29/595629229.db2.gz HDALTQWYAVPBIO-UHFFFAOYSA-N 1 2 331.420 1.657 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000858126745 595706853 /nfs/dbraw/zinc/70/68/53/595706853.db2.gz IDMHZRGXLJPSNS-INIZCTEOSA-N 1 2 330.432 1.909 20 30 EDEDLO Cc1cc(=O)[nH]c(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000853254597 595720617 /nfs/dbraw/zinc/72/06/17/595720617.db2.gz YSQSSGDFQSJBHK-UHFFFAOYSA-N 1 2 327.388 1.898 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCCN(CCOC)C(=O)C1 ZINC000853524553 595784642 /nfs/dbraw/zinc/78/46/42/595784642.db2.gz MJWGXLQMQYSJQO-UHFFFAOYSA-N 1 2 331.416 1.559 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000853620224 595835163 /nfs/dbraw/zinc/83/51/63/595835163.db2.gz VJLQAAUDZQCJDC-SFHVURJKSA-N 1 2 335.448 1.806 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000853620224 595835167 /nfs/dbraw/zinc/83/51/67/595835167.db2.gz VJLQAAUDZQCJDC-SFHVURJKSA-N 1 2 335.448 1.806 20 30 EDEDLO C#CCCCC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000856078336 595889435 /nfs/dbraw/zinc/88/94/35/595889435.db2.gz OFVLHRORXVLJJA-IBGZPJMESA-N 1 2 330.428 1.170 20 30 EDEDLO C#CCCCC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000856078336 595889436 /nfs/dbraw/zinc/88/94/36/595889436.db2.gz OFVLHRORXVLJJA-IBGZPJMESA-N 1 2 330.428 1.170 20 30 EDEDLO C#CC[C@H](COC)NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000859035202 595958385 /nfs/dbraw/zinc/95/83/85/595958385.db2.gz XCJFBDYLDWAKNJ-CYBMUJFWSA-N 1 2 338.477 1.233 20 30 EDEDLO C#CCCN(CCOC)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000856386718 595971344 /nfs/dbraw/zinc/97/13/44/595971344.db2.gz SHXAOUYUKHUQFO-UHFFFAOYSA-N 1 2 332.448 1.130 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC3=C(CCC(=O)N3)C2)c(C#N)c1C ZINC000852298268 596116254 /nfs/dbraw/zinc/11/62/54/596116254.db2.gz WKPXEWJSZRHVHI-NSHDSACASA-N 1 2 342.399 1.965 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC3=C(CCC(=O)N3)C2)c(C#N)c1C ZINC000852298268 596116256 /nfs/dbraw/zinc/11/62/56/596116256.db2.gz WKPXEWJSZRHVHI-NSHDSACASA-N 1 2 342.399 1.965 20 30 EDEDLO C#C[C@H](CO)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000854772094 596193349 /nfs/dbraw/zinc/19/33/49/596193349.db2.gz PHFZYVBLRJYLFP-OAHLLOKOSA-N 1 2 339.395 1.267 20 30 EDEDLO COC(=O)N(C)CC[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000852571879 596201591 /nfs/dbraw/zinc/20/15/91/596201591.db2.gz HIZFVQJJLJURBQ-UHFFFAOYSA-N 1 2 332.404 1.563 20 30 EDEDLO COC(=O)N(C)CC[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000852571879 596201593 /nfs/dbraw/zinc/20/15/93/596201593.db2.gz HIZFVQJJLJURBQ-UHFFFAOYSA-N 1 2 332.404 1.563 20 30 EDEDLO C=C[C@H](O)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000854895203 596225557 /nfs/dbraw/zinc/22/55/57/596225557.db2.gz PJNMSSHKOVLLLP-NSHDSACASA-N 1 2 342.193 1.166 20 30 EDEDLO CN(C)S(=O)(=O)c1ccc(CO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000120215083 596343889 /nfs/dbraw/zinc/34/38/89/596343889.db2.gz AQPYGQKDAOLOAV-UHFFFAOYSA-N 1 2 347.440 1.968 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)c2ccc3c(C#N)c[nH]c3c2)CCO1 ZINC000865094150 596472655 /nfs/dbraw/zinc/47/26/55/596472655.db2.gz PLKDQGAXZNIMDT-UHFFFAOYSA-N 1 2 326.400 1.880 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc3c(C#N)c[nH]c3c2)CCO1 ZINC000865094150 596472656 /nfs/dbraw/zinc/47/26/56/596472656.db2.gz PLKDQGAXZNIMDT-UHFFFAOYSA-N 1 2 326.400 1.880 20 30 EDEDLO C#CCCCS(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000867655012 596482954 /nfs/dbraw/zinc/48/29/54/596482954.db2.gz LASCJNOKSUQVRW-UHFFFAOYSA-N 1 2 339.486 1.468 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2ncc(C(F)(F)F)cc2C)CC1 ZINC000865505154 596593697 /nfs/dbraw/zinc/59/36/97/596593697.db2.gz CNHANKQDOXWTMG-UHFFFAOYSA-N 1 2 340.349 1.280 20 30 EDEDLO CCC1CC(=O)C(=CNNc2cc(Br)nc[nH+]2)C(=O)C1 ZINC000871597751 596647902 /nfs/dbraw/zinc/64/79/02/596647902.db2.gz VQWNCSSQDDVKHA-UHFFFAOYSA-N 1 2 339.193 1.998 20 30 EDEDLO C=C[C@H](CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000870064721 596731855 /nfs/dbraw/zinc/73/18/55/596731855.db2.gz DKOBKKROHCGTOV-IEBWSBKVSA-N 1 2 344.455 1.906 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ncc(Cl)s2)nc1 ZINC000872244365 596852248 /nfs/dbraw/zinc/85/22/48/596852248.db2.gz JCHXBVGOEBJPKV-UHFFFAOYSA-N 1 2 342.833 1.627 20 30 EDEDLO CN1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)Cc2cccnc21 ZINC000872319099 596880389 /nfs/dbraw/zinc/88/03/89/596880389.db2.gz XRMJMRJPTQYVAV-UHFFFAOYSA-N 1 2 335.411 1.521 20 30 EDEDLO CN1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)Cc2cccnc21 ZINC000872319099 596880391 /nfs/dbraw/zinc/88/03/91/596880391.db2.gz XRMJMRJPTQYVAV-UHFFFAOYSA-N 1 2 335.411 1.521 20 30 EDEDLO N#C[C@H](C(=O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1)c1nc2ccccc2c(=O)[nH]1 ZINC000872320337 596880950 /nfs/dbraw/zinc/88/09/50/596880950.db2.gz RIRIHNTWOIRKPU-MBNYWOFBSA-N 1 2 338.367 1.090 20 30 EDEDLO N#C[C@H](C(=O)C[N@H+]1C[C@@H]2COC[C@@H]2C1)c1nc2ccccc2c(=O)[nH]1 ZINC000872320337 596880951 /nfs/dbraw/zinc/88/09/51/596880951.db2.gz RIRIHNTWOIRKPU-MBNYWOFBSA-N 1 2 338.367 1.090 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2cccnc2N=NC2CC[C@@H]3C[C@@H]32)CC1 ZINC000872352644 596883981 /nfs/dbraw/zinc/88/39/81/596883981.db2.gz AUTJWQOBBKJEOO-OLZOCXBDSA-N 1 2 349.460 1.216 20 30 EDEDLO OC[C@@H]1CCCN1N=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872385348 596896528 /nfs/dbraw/zinc/89/65/28/596896528.db2.gz DWJKCJZAXOZZBE-KRWDZBQOSA-N 1 2 333.432 1.188 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c(N(C)C)[nH+]1 ZINC000874051667 596908834 /nfs/dbraw/zinc/90/88/34/596908834.db2.gz YYQXFGMRSNQELA-TZMCWYRMSA-N 1 2 329.404 1.545 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000872497428 596937092 /nfs/dbraw/zinc/93/70/92/596937092.db2.gz IXNYXRWGPPDJLI-UHFFFAOYSA-N 1 2 337.445 1.256 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C3N=NC(=S)O3)cc2)CC1 ZINC000124151921 596968519 /nfs/dbraw/zinc/96/85/19/596968519.db2.gz OJDBRGFUOSHJCN-UHFFFAOYSA-N 1 2 328.397 1.416 20 30 EDEDLO C[C@@H]1CN(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C(=O)[C@H]1C ZINC000872730906 597050199 /nfs/dbraw/zinc/05/01/99/597050199.db2.gz YMPPQQCHYCIOGQ-KGLIPLIRSA-N 1 2 330.407 1.891 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000876122068 597099681 /nfs/dbraw/zinc/09/96/81/597099681.db2.gz HJWDOSSYVQBGCA-CYBMUJFWSA-N 1 2 338.452 1.594 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000873285961 597248960 /nfs/dbraw/zinc/24/89/60/597248960.db2.gz HOSUCXXMMPJRJG-QAQDUYKDSA-N 1 2 346.475 1.128 20 30 EDEDLO Cc1nccn1C[C@H](C)CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876729087 597309833 /nfs/dbraw/zinc/30/98/33/597309833.db2.gz DQNGGBQFBRQHDR-ACJLOTCBSA-N 1 2 337.427 1.703 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000126173047 597351198 /nfs/dbraw/zinc/35/11/98/597351198.db2.gz ZBXAXVPFJRWQME-UHFFFAOYSA-N 1 2 330.432 1.437 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3C[C@@H]([NH3+])C[C@H]3C)cc2[nH]c1=S ZINC000877174302 597452472 /nfs/dbraw/zinc/45/24/72/597452472.db2.gz RPKDSAGZMKAFAQ-PWSUYJOCSA-N 1 2 344.440 1.433 20 30 EDEDLO C[N@@H+](Cc1cn(C[C@H]2CCCO2)nn1)C[C@@H](O)c1cccc(C#N)c1 ZINC000877609120 597541435 /nfs/dbraw/zinc/54/14/35/597541435.db2.gz HVIHWGLHVCKELB-QZTJIDSGSA-N 1 2 341.415 1.494 20 30 EDEDLO C[N@H+](Cc1cn(C[C@H]2CCCO2)nn1)C[C@@H](O)c1cccc(C#N)c1 ZINC000877609120 597541436 /nfs/dbraw/zinc/54/14/36/597541436.db2.gz HVIHWGLHVCKELB-QZTJIDSGSA-N 1 2 341.415 1.494 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883798380 597906397 /nfs/dbraw/zinc/90/63/97/597906397.db2.gz FVODIHPTJIBRCB-IRXDYDNUSA-N 1 2 326.400 1.962 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2 ZINC000884063379 597983520 /nfs/dbraw/zinc/98/35/20/597983520.db2.gz XSPOAWLFCBXQOF-AAEUAGOBSA-N 1 2 348.399 1.794 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000884075886 597987191 /nfs/dbraw/zinc/98/71/91/597987191.db2.gz MJSKTLYRWBWHKW-PWSUYJOCSA-N 1 2 342.342 1.912 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)c1ccc(OC)c(OC)c1 ZINC000884088844 597991500 /nfs/dbraw/zinc/99/15/00/597991500.db2.gz WTOHFNBRRDBKJI-ZDUSSCGKSA-N 1 2 336.388 1.503 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)COc1c(C)cccc1C ZINC000884100013 597995072 /nfs/dbraw/zinc/99/50/72/597995072.db2.gz HAZQMECFPUSORS-GJZGRUSLSA-N 1 2 334.416 1.634 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000884391914 598090433 /nfs/dbraw/zinc/09/04/33/598090433.db2.gz MYZIACVBLPEVQW-DCAQKATOSA-N 1 2 338.326 1.049 20 30 EDEDLO N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC000992689064 695211989 /nfs/dbraw/zinc/21/19/89/695211989.db2.gz HJODUVDYLDCEGU-HYVNUMGLSA-N 1 2 341.459 1.502 20 30 EDEDLO C=C[C@H](CC)CC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060464314 695248553 /nfs/dbraw/zinc/24/85/53/695248553.db2.gz UQDQSPWWMXGSEF-CABCVRRESA-N 1 2 332.448 1.909 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000915226877 695767201 /nfs/dbraw/zinc/76/72/01/695767201.db2.gz GGLSKEXRZCRYHI-UHFFFAOYSA-N 1 2 328.416 1.009 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1Cc1ccn(C)n1 ZINC000993192965 695770604 /nfs/dbraw/zinc/77/06/04/695770604.db2.gz DIMPZHNOUGEHNI-WBMJQRKESA-N 1 2 326.404 1.403 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1Cc1ccn(C)n1 ZINC000993192965 695770607 /nfs/dbraw/zinc/77/06/07/695770607.db2.gz DIMPZHNOUGEHNI-WBMJQRKESA-N 1 2 326.404 1.403 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@]2(C)C1 ZINC000993199755 695787520 /nfs/dbraw/zinc/78/75/20/695787520.db2.gz CCEREYGFGVMWGF-IFXJQAMLSA-N 1 2 344.459 1.780 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H]1C ZINC000993535222 696211113 /nfs/dbraw/zinc/21/11/13/696211113.db2.gz AMITYOGWPHULAN-WCQYABFASA-N 1 2 338.839 1.459 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H]1C ZINC000993535222 696211114 /nfs/dbraw/zinc/21/11/14/696211114.db2.gz AMITYOGWPHULAN-WCQYABFASA-N 1 2 338.839 1.459 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnc3n[nH]nc32)[C@@H]1C ZINC000993575284 696228648 /nfs/dbraw/zinc/22/86/48/696228648.db2.gz NMLGDGMGPKATSR-CMPLNLGQSA-N 1 2 334.811 1.688 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3n[nH]nc32)[C@@H]1C ZINC000993575284 696228651 /nfs/dbraw/zinc/22/86/51/696228651.db2.gz NMLGDGMGPKATSR-CMPLNLGQSA-N 1 2 334.811 1.688 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CCS(C)(=O)=O)[C@@H]2C)CC1 ZINC000993741020 696342549 /nfs/dbraw/zinc/34/25/49/696342549.db2.gz JMJHPSBDSRAWNI-GDBMZVCRSA-N 1 2 342.505 1.747 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCS(C)(=O)=O)[C@@H]2C)CC1 ZINC000993741020 696342550 /nfs/dbraw/zinc/34/25/50/696342550.db2.gz JMJHPSBDSRAWNI-GDBMZVCRSA-N 1 2 342.505 1.747 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2nnc[nH]2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000994015177 696492976 /nfs/dbraw/zinc/49/29/76/696492976.db2.gz AMMFJPBZWIFSLD-GXFFZTMASA-N 1 2 330.417 1.521 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2nnc[nH]2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000994015177 696492978 /nfs/dbraw/zinc/49/29/78/696492978.db2.gz AMMFJPBZWIFSLD-GXFFZTMASA-N 1 2 330.417 1.521 20 30 EDEDLO C#CCNC(=O)C[N@@H+](CCOC)Cc1cc(Br)cs1 ZINC000917156464 696961222 /nfs/dbraw/zinc/96/12/22/696961222.db2.gz RECXODLXDGIVPG-UHFFFAOYSA-N 1 2 345.262 1.708 20 30 EDEDLO C#CCNC(=O)C[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000917156464 696961223 /nfs/dbraw/zinc/96/12/23/696961223.db2.gz RECXODLXDGIVPG-UHFFFAOYSA-N 1 2 345.262 1.708 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)C3CCOCC3)C2)ccc1F ZINC001031512981 697194746 /nfs/dbraw/zinc/19/47/46/697194746.db2.gz BZZSXVBOSFGENJ-UHFFFAOYSA-N 1 2 331.391 1.672 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000918846218 697215927 /nfs/dbraw/zinc/21/59/27/697215927.db2.gz QKZPWIMIJRZLDO-CQSZACIVSA-N 1 2 347.444 1.476 20 30 EDEDLO Cn1cccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031552919 697238374 /nfs/dbraw/zinc/23/83/74/697238374.db2.gz OEDOOPPYIDTDMF-UHFFFAOYSA-N 1 2 326.375 1.898 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@H](NC(=O)C#CC2CC2)CC1 ZINC001060729715 697257234 /nfs/dbraw/zinc/25/72/34/697257234.db2.gz JTSSFILWSMEKDL-WKILWMFISA-N 1 2 342.443 1.465 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)ncn1 ZINC001031619557 697336126 /nfs/dbraw/zinc/33/61/26/697336126.db2.gz DRULBEANGUXYAX-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO COc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)on1 ZINC001031625757 697360047 /nfs/dbraw/zinc/36/00/47/697360047.db2.gz XEXLHLHMXWSLBX-UHFFFAOYSA-N 1 2 325.368 1.397 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(C)nc2)C1 ZINC001031680734 697500417 /nfs/dbraw/zinc/50/04/17/697500417.db2.gz OHGNGHCTEOUOCP-SJORKVTESA-N 1 2 330.432 1.314 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnc2[nH]cnc2c1 ZINC001031701591 697660353 /nfs/dbraw/zinc/66/03/53/697660353.db2.gz PGBOQQWAPVOMFN-UHFFFAOYSA-N 1 2 345.406 1.671 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000938574367 698299845 /nfs/dbraw/zinc/29/98/45/698299845.db2.gz VNDRLEJGRJHSTF-ZDUSSCGKSA-N 1 2 338.839 1.790 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000938574365 698299851 /nfs/dbraw/zinc/29/98/51/698299851.db2.gz VNDRLEJGRJHSTF-CYBMUJFWSA-N 1 2 338.839 1.790 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccon3)C[C@H]2C)nn1 ZINC000943483408 698394496 /nfs/dbraw/zinc/39/44/96/698394496.db2.gz WSAIWOVCJNRUQI-OCCSQVGLSA-N 1 2 330.392 1.093 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccon3)C[C@H]2C)nn1 ZINC000943483408 698394501 /nfs/dbraw/zinc/39/45/01/698394501.db2.gz WSAIWOVCJNRUQI-OCCSQVGLSA-N 1 2 330.392 1.093 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)[C@H](C)C1 ZINC000943750412 698797842 /nfs/dbraw/zinc/79/78/42/698797842.db2.gz OCEIDUJUXQMGLQ-PWSUYJOCSA-N 1 2 339.237 1.825 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccnn2)[C@H](C)C1 ZINC000943750412 698797845 /nfs/dbraw/zinc/79/78/45/698797845.db2.gz OCEIDUJUXQMGLQ-PWSUYJOCSA-N 1 2 339.237 1.825 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(C)c(OC)c3)CC2)C1 ZINC000941479630 701552872 /nfs/dbraw/zinc/55/28/72/701552872.db2.gz NGYZIGWQGJUHCH-UHFFFAOYSA-N 1 2 341.455 1.008 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccnc4ccncc43)CC2)C1 ZINC000941501435 701561369 /nfs/dbraw/zinc/56/13/69/701561369.db2.gz DEQVKJVNRMYKPR-UHFFFAOYSA-N 1 2 349.438 1.095 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCN(C2C[NH+](CCC(F)(F)F)C2)CC1 ZINC000941516295 701567315 /nfs/dbraw/zinc/56/73/15/701567315.db2.gz PYJFDGAEHMAUPE-UHFFFAOYSA-N 1 2 333.398 1.979 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nnc(CC)o3)C2)c1 ZINC000939107210 699174432 /nfs/dbraw/zinc/17/44/32/699174432.db2.gz JKCRFNSKXPNVDG-SWLSCSKDSA-N 1 2 339.399 1.259 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)[C@@H](C)CO4)CC2)C1 ZINC000941528795 701571760 /nfs/dbraw/zinc/57/17/60/701571760.db2.gz AOIFZFYJBCNBDO-HNNXBMFYSA-N 1 2 339.439 1.258 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)C1 ZINC000941578544 701588040 /nfs/dbraw/zinc/58/80/40/701588040.db2.gz MEAPQZDGJXQVKK-UHFFFAOYSA-N 1 2 337.345 1.179 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc4ccccc4c3)CC2)C1 ZINC000941582312 701589304 /nfs/dbraw/zinc/58/93/04/701589304.db2.gz LWDQEROKHQBVQL-UHFFFAOYSA-N 1 2 348.450 1.700 20 30 EDEDLO C[C@@H]1COCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031961553 701589948 /nfs/dbraw/zinc/58/99/48/701589948.db2.gz WFHQUMRNWPQTJH-CXAGYDPISA-N 1 2 345.418 1.918 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)C1 ZINC000941584551 701590245 /nfs/dbraw/zinc/59/02/45/701590245.db2.gz BUAJFZWDGREMPZ-UHFFFAOYSA-N 1 2 336.439 1.633 20 30 EDEDLO C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC000939406370 699561111 /nfs/dbraw/zinc/56/11/11/699561111.db2.gz OLKBOEZNSPRKMR-OLZOCXBDSA-N 1 2 325.372 1.167 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](OC)c3ccccc3)CC2)C1 ZINC000941645031 701609845 /nfs/dbraw/zinc/60/98/45/701609845.db2.gz KETZNYPIUUKHDI-LJQANCHMSA-N 1 2 341.455 1.226 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC000941093899 701137931 /nfs/dbraw/zinc/13/79/31/701137931.db2.gz VACZCXCWMIMDHR-JYJNAYRXSA-N 1 2 348.447 1.768 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC000941093899 701137933 /nfs/dbraw/zinc/13/79/33/701137933.db2.gz VACZCXCWMIMDHR-JYJNAYRXSA-N 1 2 348.447 1.768 20 30 EDEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000941111923 701187510 /nfs/dbraw/zinc/18/75/10/701187510.db2.gz ZMGYIFHVAJTXPY-ZDUSSCGKSA-N 1 2 344.444 1.768 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000941111923 701187511 /nfs/dbraw/zinc/18/75/11/701187511.db2.gz ZMGYIFHVAJTXPY-ZDUSSCGKSA-N 1 2 344.444 1.768 20 30 EDEDLO CC[C@@H](F)C[NH+]1CC(N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1 ZINC000941366116 701492329 /nfs/dbraw/zinc/49/23/29/701492329.db2.gz LKORMDUFEOKFMD-CQSZACIVSA-N 1 2 333.411 1.076 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999181859 706609125 /nfs/dbraw/zinc/60/91/25/706609125.db2.gz NRSRBGMYAWRHED-CFVMTHIKSA-N 1 2 336.461 1.600 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000941795399 701774422 /nfs/dbraw/zinc/77/44/22/701774422.db2.gz UOPJSOQHZKJPJC-GWCFXTLKSA-N 1 2 341.253 1.769 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000941795399 701774425 /nfs/dbraw/zinc/77/44/25/701774425.db2.gz UOPJSOQHZKJPJC-GWCFXTLKSA-N 1 2 341.253 1.769 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001032153764 701941524 /nfs/dbraw/zinc/94/15/24/701941524.db2.gz ZIILMOXUSMWTKX-UHFFFAOYSA-N 1 2 334.383 1.396 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnns3)C[C@H]2C)cn1 ZINC000944213134 702540723 /nfs/dbraw/zinc/54/07/23/702540723.db2.gz AWBVLTORTANZMF-MLGOLLRUSA-N 1 2 341.440 1.555 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnns3)C[C@H]2C)cn1 ZINC000944213134 702540727 /nfs/dbraw/zinc/54/07/27/702540727.db2.gz AWBVLTORTANZMF-MLGOLLRUSA-N 1 2 341.440 1.555 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccc(C)n3)C[C@@H]2C)cn1 ZINC000944215578 702547184 /nfs/dbraw/zinc/54/71/84/702547184.db2.gz UMKZNOABSPFPHX-KBXCAEBGSA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nccc(C)n3)C[C@@H]2C)cn1 ZINC000944215578 702547185 /nfs/dbraw/zinc/54/71/85/702547185.db2.gz UMKZNOABSPFPHX-KBXCAEBGSA-N 1 2 349.438 1.802 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)[C@H](C)C1 ZINC000942150610 702660657 /nfs/dbraw/zinc/66/06/57/702660657.db2.gz DPDYUKYCYWIILG-IAQYHMDHSA-N 1 2 337.851 1.886 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(C)cc2=O)[C@H](C)C1 ZINC000942150610 702660660 /nfs/dbraw/zinc/66/06/60/702660660.db2.gz DPDYUKYCYWIILG-IAQYHMDHSA-N 1 2 337.851 1.886 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032676797 706696806 /nfs/dbraw/zinc/69/68/06/706696806.db2.gz FJPBTVOQGRSOMF-OTRWWLKZSA-N 1 2 330.432 1.186 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(-c2cnn(C)c2)no1 ZINC001032318459 703005612 /nfs/dbraw/zinc/00/56/12/703005612.db2.gz OANLSQQCVOMIIG-XBFCOCLRSA-N 1 2 340.387 1.020 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(-c2cnn(C)c2)no1 ZINC001032318459 703005615 /nfs/dbraw/zinc/00/56/15/703005615.db2.gz OANLSQQCVOMIIG-XBFCOCLRSA-N 1 2 340.387 1.020 20 30 EDEDLO CCn1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001032028577 703054281 /nfs/dbraw/zinc/05/42/81/703054281.db2.gz RUQLIAVPAFZIRB-UHFFFAOYSA-N 1 2 341.390 1.776 20 30 EDEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001015968982 703078786 /nfs/dbraw/zinc/07/87/86/703078786.db2.gz MAICNJGKFGHEEE-AWEZNQCLSA-N 1 2 341.415 1.384 20 30 EDEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001015968982 703078791 /nfs/dbraw/zinc/07/87/91/703078791.db2.gz MAICNJGKFGHEEE-AWEZNQCLSA-N 1 2 341.415 1.384 20 30 EDEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3cc(C4CC4)no3)C2)nn1 ZINC001032035284 703110263 /nfs/dbraw/zinc/11/02/63/703110263.db2.gz SVVMXBRHIMDSHZ-UHFFFAOYSA-N 1 2 342.403 1.191 20 30 EDEDLO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)n1cncn1 ZINC001032364101 703247758 /nfs/dbraw/zinc/24/77/58/703247758.db2.gz ZEOLXBPQJUUXNP-COXVUDFISA-N 1 2 336.399 1.196 20 30 EDEDLO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)n1cncn1 ZINC001032364101 703247759 /nfs/dbraw/zinc/24/77/59/703247759.db2.gz ZEOLXBPQJUUXNP-COXVUDFISA-N 1 2 336.399 1.196 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1ccncn1 ZINC001032059904 703498236 /nfs/dbraw/zinc/49/82/36/703498236.db2.gz YVRICTKTTOYUDR-UHFFFAOYSA-N 1 2 340.814 1.843 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn3c2CCC3)c1 ZINC001032434829 703613471 /nfs/dbraw/zinc/61/34/71/703613471.db2.gz XPHPOOVWADGHAU-IRXDYDNUSA-N 1 2 347.422 1.800 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn3c2CCC3)c1 ZINC001032434829 703613474 /nfs/dbraw/zinc/61/34/74/703613474.db2.gz XPHPOOVWADGHAU-IRXDYDNUSA-N 1 2 347.422 1.800 20 30 EDEDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cn1)C1CCN(CC#N)CC1 ZINC000997389395 703657418 /nfs/dbraw/zinc/65/74/18/703657418.db2.gz GRLCNICCFZOFCY-CQSZACIVSA-N 1 2 338.415 1.621 20 30 EDEDLO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@H](C)N1CC#N ZINC000921628946 703772887 /nfs/dbraw/zinc/77/28/87/703772887.db2.gz JJCOQOXGLKGOCC-OWCLPIDISA-N 1 2 342.447 1.288 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2nc(C3CCC3)no2)C(C)(C)C1 ZINC000995563831 703952056 /nfs/dbraw/zinc/95/20/56/703952056.db2.gz QEZFXEJOGOCYFC-YPMHNXCESA-N 1 2 331.420 1.823 20 30 EDEDLO CC(=O)Nc1nc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)cs1 ZINC000995565894 704004572 /nfs/dbraw/zinc/00/45/72/704004572.db2.gz SRDGSTVEAMVOMO-ZWNOBZJWSA-N 1 2 349.460 1.588 20 30 EDEDLO CC(=O)Nc1nc(C[NH2+][C@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)cs1 ZINC000995565863 704004801 /nfs/dbraw/zinc/00/48/01/704004801.db2.gz SRDGSTVEAMVOMO-GWCFXTLKSA-N 1 2 349.460 1.588 20 30 EDEDLO COc1nc(C)ncc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004454903 704448388 /nfs/dbraw/zinc/44/83/88/704448388.db2.gz AUFSMPJWKKRFCB-INIZCTEOSA-N 1 2 343.431 1.634 20 30 EDEDLO COc1nc(C)ncc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004454903 704448390 /nfs/dbraw/zinc/44/83/90/704448390.db2.gz AUFSMPJWKKRFCB-INIZCTEOSA-N 1 2 343.431 1.634 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC001004456283 704449595 /nfs/dbraw/zinc/44/95/95/704449595.db2.gz GYQWOYNVIIHLHT-HNNXBMFYSA-N 1 2 329.404 1.116 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC001004456283 704449597 /nfs/dbraw/zinc/44/95/97/704449597.db2.gz GYQWOYNVIIHLHT-HNNXBMFYSA-N 1 2 329.404 1.116 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CCC(=O)NC2)CC1 ZINC001004457742 704451122 /nfs/dbraw/zinc/45/11/22/704451122.db2.gz LLUALXUITGCDHS-GDBMZVCRSA-N 1 2 332.448 1.129 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CCC(=O)NC2)CC1 ZINC001004457742 704451123 /nfs/dbraw/zinc/45/11/23/704451123.db2.gz LLUALXUITGCDHS-GDBMZVCRSA-N 1 2 332.448 1.129 20 30 EDEDLO C[C@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C1CCN(CC#N)CC1 ZINC000997698399 704574400 /nfs/dbraw/zinc/57/44/00/704574400.db2.gz VEHXONRWUZOQHY-MAUKXSAKSA-N 1 2 348.491 1.228 20 30 EDEDLO C[C@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C1CCN(CC#N)CC1 ZINC000997698399 704574401 /nfs/dbraw/zinc/57/44/01/704574401.db2.gz VEHXONRWUZOQHY-MAUKXSAKSA-N 1 2 348.491 1.228 20 30 EDEDLO Cc1nnc([C@@H](C)[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)o1 ZINC000995633605 704607376 /nfs/dbraw/zinc/60/73/76/704607376.db2.gz JDFLVYKSRZCNAO-YGRLFVJLSA-N 1 2 342.403 1.779 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1C(=O)CCC1=O ZINC001032558546 704749722 /nfs/dbraw/zinc/74/97/22/704749722.db2.gz AMIRPCGGDYWTAD-KBPBESRZSA-N 1 2 333.432 1.023 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1C(=O)CCC1=O ZINC001032558546 704749724 /nfs/dbraw/zinc/74/97/24/704749724.db2.gz AMIRPCGGDYWTAD-KBPBESRZSA-N 1 2 333.432 1.023 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC000944983834 704878712 /nfs/dbraw/zinc/87/87/12/704878712.db2.gz URRJAJMBKSASSX-ZDUSSCGKSA-N 1 2 343.431 1.298 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000945036209 704967616 /nfs/dbraw/zinc/96/76/16/704967616.db2.gz YNZMNZUMQZXCCQ-BFHYXJOUSA-N 1 2 341.415 1.124 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000945036209 704967619 /nfs/dbraw/zinc/96/76/19/704967619.db2.gz YNZMNZUMQZXCCQ-BFHYXJOUSA-N 1 2 341.415 1.124 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@]2(F)CCOC2)cc1 ZINC001032586153 705089999 /nfs/dbraw/zinc/08/99/99/705089999.db2.gz KVWQNGPIFWNCHQ-XYJFISCASA-N 1 2 329.375 1.472 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@]2(F)CCOC2)cc1 ZINC001032586153 705090003 /nfs/dbraw/zinc/09/00/03/705090003.db2.gz KVWQNGPIFWNCHQ-XYJFISCASA-N 1 2 329.375 1.472 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(C)noc1C ZINC001032638032 706076271 /nfs/dbraw/zinc/07/62/71/706076271.db2.gz GQDZUCDWNUVRBU-MPTYRVRUSA-N 1 2 331.416 1.668 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)noc1C ZINC001032638032 706076274 /nfs/dbraw/zinc/07/62/74/706076274.db2.gz GQDZUCDWNUVRBU-MPTYRVRUSA-N 1 2 331.416 1.668 20 30 EDEDLO N#Cc1cnc(NC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c(Cl)c1 ZINC001060887344 707361757 /nfs/dbraw/zinc/36/17/57/707361757.db2.gz FFQGANMDDUJZBN-LBPRGKRZSA-N 1 2 344.806 1.764 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(C(=O)N(C)C)CC1 ZINC001032729376 707726111 /nfs/dbraw/zinc/72/61/11/707726111.db2.gz XDUQYJBNAWRCTH-GQGLESIBSA-N 1 2 331.460 1.189 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(C(=O)N(C)C)CC1 ZINC001032729376 707726115 /nfs/dbraw/zinc/72/61/15/707726115.db2.gz XDUQYJBNAWRCTH-GQGLESIBSA-N 1 2 331.460 1.189 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033217992 707745480 /nfs/dbraw/zinc/74/54/80/707745480.db2.gz UFWAYNHRIYXVPQ-CYBMUJFWSA-N 1 2 328.351 1.162 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033217992 707745482 /nfs/dbraw/zinc/74/54/82/707745482.db2.gz UFWAYNHRIYXVPQ-CYBMUJFWSA-N 1 2 328.351 1.162 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033493493 707988444 /nfs/dbraw/zinc/98/84/44/707988444.db2.gz FEKZZLYLIBTTGD-IKGGRYGDSA-N 1 2 332.448 1.434 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033493493 707988445 /nfs/dbraw/zinc/98/84/45/707988445.db2.gz FEKZZLYLIBTTGD-IKGGRYGDSA-N 1 2 332.448 1.434 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nccn3cc(C)nc23)C1 ZINC001033567791 708214229 /nfs/dbraw/zinc/21/42/29/708214229.db2.gz MGEIHECNBLHUKY-CYBMUJFWSA-N 1 2 333.823 1.937 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nccn3cc(C)nc23)C1 ZINC001033567791 708214232 /nfs/dbraw/zinc/21/42/32/708214232.db2.gz MGEIHECNBLHUKY-CYBMUJFWSA-N 1 2 333.823 1.937 20 30 EDEDLO N#Cc1cncc(NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)n1 ZINC001061021626 708244375 /nfs/dbraw/zinc/24/43/75/708244375.db2.gz JBKWZWNFVCLJBU-MRVWCRGKSA-N 1 2 337.387 1.135 20 30 EDEDLO N#Cc1cncc(NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)n1 ZINC001061021626 708244378 /nfs/dbraw/zinc/24/43/78/708244378.db2.gz JBKWZWNFVCLJBU-MRVWCRGKSA-N 1 2 337.387 1.135 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001033576531 708251965 /nfs/dbraw/zinc/25/19/65/708251965.db2.gz WRQLNBLOGVORBV-CHWSQXEVSA-N 1 2 328.844 1.205 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001033576531 708251967 /nfs/dbraw/zinc/25/19/67/708251967.db2.gz WRQLNBLOGVORBV-CHWSQXEVSA-N 1 2 328.844 1.205 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033705212 708534504 /nfs/dbraw/zinc/53/45/04/708534504.db2.gz FQQNDNVVPGTMQR-CQSZACIVSA-N 1 2 343.362 1.735 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033705212 708534505 /nfs/dbraw/zinc/53/45/05/708534505.db2.gz FQQNDNVVPGTMQR-CQSZACIVSA-N 1 2 343.362 1.735 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033705217 708534560 /nfs/dbraw/zinc/53/45/60/708534560.db2.gz FTVDRFGSFHRWSV-CQSZACIVSA-N 1 2 343.362 1.735 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033705217 708534564 /nfs/dbraw/zinc/53/45/64/708534564.db2.gz FTVDRFGSFHRWSV-CQSZACIVSA-N 1 2 343.362 1.735 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](N(CC)C(=O)C3CC3)C2)c1 ZINC001033718894 708568979 /nfs/dbraw/zinc/56/89/79/708568979.db2.gz NJIGBXZROWBAGS-GOSISDBHSA-N 1 2 339.439 1.939 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](N(CC)C(=O)C3CC3)C2)c1 ZINC001033718894 708568981 /nfs/dbraw/zinc/56/89/81/708568981.db2.gz NJIGBXZROWBAGS-GOSISDBHSA-N 1 2 339.439 1.939 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001033784621 708693006 /nfs/dbraw/zinc/69/30/06/708693006.db2.gz CGLUDONRBUEHPR-ZFWWWQNUSA-N 1 2 338.415 1.974 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001033784621 708693008 /nfs/dbraw/zinc/69/30/08/708693008.db2.gz CGLUDONRBUEHPR-ZFWWWQNUSA-N 1 2 338.415 1.974 20 30 EDEDLO C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001033837625 708867203 /nfs/dbraw/zinc/86/72/03/708867203.db2.gz IOUAHVYZJGMEMD-CQSZACIVSA-N 1 2 340.445 1.796 20 30 EDEDLO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001033837625 708867206 /nfs/dbraw/zinc/86/72/06/708867206.db2.gz IOUAHVYZJGMEMD-CQSZACIVSA-N 1 2 340.445 1.796 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001002462080 708986950 /nfs/dbraw/zinc/98/69/50/708986950.db2.gz LGEWFLQSROTMMR-MRXNPFEDSA-N 1 2 344.390 1.057 20 30 EDEDLO Cn1cc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)nn1 ZINC001002722990 709324629 /nfs/dbraw/zinc/32/46/29/709324629.db2.gz LRMZEHDRPWNKRV-UHFFFAOYSA-N 1 2 342.378 1.220 20 30 EDEDLO CCn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034165770 709439413 /nfs/dbraw/zinc/43/94/13/709439413.db2.gz YDSXBCAQOZEHDV-AWEZNQCLSA-N 1 2 341.419 1.282 20 30 EDEDLO CCn1nncc1C[N@H+]1CCCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034165770 709439415 /nfs/dbraw/zinc/43/94/15/709439415.db2.gz YDSXBCAQOZEHDV-AWEZNQCLSA-N 1 2 341.419 1.282 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001002847770 709457875 /nfs/dbraw/zinc/45/78/75/709457875.db2.gz CQSDVPNSRNVIBS-SJORKVTESA-N 1 2 344.459 1.847 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001034245441 709636202 /nfs/dbraw/zinc/63/62/02/709636202.db2.gz PNSUQYUDTOXITL-GFCCVEGCSA-N 1 2 334.811 1.690 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001034245441 709636205 /nfs/dbraw/zinc/63/62/05/709636205.db2.gz PNSUQYUDTOXITL-GFCCVEGCSA-N 1 2 334.811 1.690 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001034480611 710093460 /nfs/dbraw/zinc/09/34/60/710093460.db2.gz NBVUBWNPLLTACV-NSHDSACASA-N 1 2 342.241 1.227 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001034480611 710093466 /nfs/dbraw/zinc/09/34/66/710093466.db2.gz NBVUBWNPLLTACV-NSHDSACASA-N 1 2 342.241 1.227 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001034487801 710135993 /nfs/dbraw/zinc/13/59/93/710135993.db2.gz QSCKKYUWRPMHIA-OLZOCXBDSA-N 1 2 337.855 1.633 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001034487801 710135996 /nfs/dbraw/zinc/13/59/96/710135996.db2.gz QSCKKYUWRPMHIA-OLZOCXBDSA-N 1 2 337.855 1.633 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2c[nH]c(=O)n2C)CC1 ZINC001003433929 710348173 /nfs/dbraw/zinc/34/81/73/710348173.db2.gz PPAAFKVJTAJINO-UHFFFAOYSA-N 1 2 343.225 1.229 20 30 EDEDLO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001003693646 710496368 /nfs/dbraw/zinc/49/63/68/710496368.db2.gz CYWOGTLBEUHKAP-IETPZCKNSA-N 1 2 338.411 1.175 20 30 EDEDLO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001003693646 710496369 /nfs/dbraw/zinc/49/63/69/710496369.db2.gz CYWOGTLBEUHKAP-IETPZCKNSA-N 1 2 338.411 1.175 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2nc(C)c[nH]2)CC1 ZINC001003771621 710548099 /nfs/dbraw/zinc/54/80/99/710548099.db2.gz IRUGRVOPAMFTBE-UHFFFAOYSA-N 1 2 327.226 1.821 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCOCC2)C1 ZINC001032868449 710571690 /nfs/dbraw/zinc/57/16/90/710571690.db2.gz UFBPUQKNAOZILX-CYBMUJFWSA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCOCC2)C1 ZINC001032868449 710571691 /nfs/dbraw/zinc/57/16/91/710571691.db2.gz UFBPUQKNAOZILX-CYBMUJFWSA-N 1 2 331.254 1.854 20 30 EDEDLO N#Cc1cccnc1N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001061771373 710633820 /nfs/dbraw/zinc/63/38/20/710633820.db2.gz XFQYJJAVTSRYEE-BPLDGKMQSA-N 1 2 336.399 1.423 20 30 EDEDLO N#Cc1cccnc1N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001061771373 710633821 /nfs/dbraw/zinc/63/38/21/710633821.db2.gz XFQYJJAVTSRYEE-BPLDGKMQSA-N 1 2 336.399 1.423 20 30 EDEDLO CN(C(=O)c1cnns1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001032939858 710880881 /nfs/dbraw/zinc/88/08/81/710880881.db2.gz PODIJXCZRIFKRI-CQSZACIVSA-N 1 2 327.413 1.756 20 30 EDEDLO CN(C(=O)c1cnns1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001032939858 710880883 /nfs/dbraw/zinc/88/08/83/710880883.db2.gz PODIJXCZRIFKRI-CQSZACIVSA-N 1 2 327.413 1.756 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](N(C)C(=O)c3scnc3C)C2)C1=O ZINC001032933602 710887136 /nfs/dbraw/zinc/88/71/36/710887136.db2.gz ZFZHDEMDXKSCJO-ZIAGYGMSSA-N 1 2 348.472 1.385 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N(C)C(=O)c3scnc3C)C2)C1=O ZINC001032933602 710887140 /nfs/dbraw/zinc/88/71/40/710887140.db2.gz ZFZHDEMDXKSCJO-ZIAGYGMSSA-N 1 2 348.472 1.385 20 30 EDEDLO O=C(Cc1nnc[nH]1)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001003930929 710985428 /nfs/dbraw/zinc/98/54/28/710985428.db2.gz SOUJDWYIEVJQDN-UHFFFAOYSA-N 1 2 341.390 1.119 20 30 EDEDLO COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)on1 ZINC001032984777 711141999 /nfs/dbraw/zinc/14/19/99/711141999.db2.gz DTECMFBTFDWEFP-LBPRGKRZSA-N 1 2 329.360 1.229 20 30 EDEDLO COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)on1 ZINC001032984777 711142004 /nfs/dbraw/zinc/14/20/04/711142004.db2.gz DTECMFBTFDWEFP-LBPRGKRZSA-N 1 2 329.360 1.229 20 30 EDEDLO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)nnn1C ZINC001032985321 711143562 /nfs/dbraw/zinc/14/35/62/711143562.db2.gz MXEGGMGMZNVVOW-INIZCTEOSA-N 1 2 338.415 1.342 20 30 EDEDLO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)nnn1C ZINC001032985321 711143569 /nfs/dbraw/zinc/14/35/69/711143569.db2.gz MXEGGMGMZNVVOW-INIZCTEOSA-N 1 2 338.415 1.342 20 30 EDEDLO N#Cc1c[nH]c(C(=O)NCc2ccc(C[NH2+]Cc3cnon3)cc2)c1 ZINC001034814577 711191681 /nfs/dbraw/zinc/19/16/81/711191681.db2.gz DTSUBIQQWZSDPI-UHFFFAOYSA-N 1 2 336.355 1.489 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001034880206 711279539 /nfs/dbraw/zinc/27/95/39/711279539.db2.gz UPWFKSHHFIIMAV-DZGCQCFKSA-N 1 2 339.399 1.977 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ccn(C)n2)CC1 ZINC001004141967 711541742 /nfs/dbraw/zinc/54/17/42/711541742.db2.gz DZCFSNXQFMDGCV-UHFFFAOYSA-N 1 2 327.226 1.523 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3cccnn23)CC1 ZINC001004568968 711990460 /nfs/dbraw/zinc/99/04/60/711990460.db2.gz OJGWQCVYIBMZGL-HNNXBMFYSA-N 1 2 338.415 1.569 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3cccnn23)CC1 ZINC001004568968 711990464 /nfs/dbraw/zinc/99/04/64/711990464.db2.gz OJGWQCVYIBMZGL-HNNXBMFYSA-N 1 2 338.415 1.569 20 30 EDEDLO CN1CCCC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1=O ZINC001004598764 712042750 /nfs/dbraw/zinc/04/27/50/712042750.db2.gz WTWNOCNDJDJGIO-SJORKVTESA-N 1 2 346.475 1.471 20 30 EDEDLO CN1CCCC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1=O ZINC001004598764 712042751 /nfs/dbraw/zinc/04/27/51/712042751.db2.gz WTWNOCNDJDJGIO-SJORKVTESA-N 1 2 346.475 1.471 20 30 EDEDLO COCc1nocc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004599219 712043143 /nfs/dbraw/zinc/04/31/43/712043143.db2.gz ZAYQWAYQCKADTB-INIZCTEOSA-N 1 2 332.404 1.661 20 30 EDEDLO COCc1nocc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004599219 712043146 /nfs/dbraw/zinc/04/31/46/712043146.db2.gz ZAYQWAYQCKADTB-INIZCTEOSA-N 1 2 332.404 1.661 20 30 EDEDLO C=CCCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccn3)C2)nn1 ZINC001033485111 712606061 /nfs/dbraw/zinc/60/60/61/712606061.db2.gz WZDHZBPUIBIYFN-MRXNPFEDSA-N 1 2 340.431 1.596 20 30 EDEDLO C=CCCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccn3)C2)nn1 ZINC001033485111 712606062 /nfs/dbraw/zinc/60/60/62/712606062.db2.gz WZDHZBPUIBIYFN-MRXNPFEDSA-N 1 2 340.431 1.596 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000052696558 214140164 /nfs/dbraw/zinc/14/01/64/214140164.db2.gz QTGOUCIGKRELJM-UHFFFAOYSA-N 1 2 343.427 1.658 20 30 EDEDLO CCc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)n(C)n1 ZINC000177038320 529543737 /nfs/dbraw/zinc/54/37/37/529543737.db2.gz CMWJVTBHZZCSLX-UHFFFAOYSA-N 1 2 334.424 1.062 20 30 EDEDLO C[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 ZINC000103247609 530053826 /nfs/dbraw/zinc/05/38/26/530053826.db2.gz OAXVWXYYKMDMFG-UHFFFAOYSA-N 1 2 349.456 1.542 20 30 EDEDLO C[N@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 ZINC000103247609 530053827 /nfs/dbraw/zinc/05/38/27/530053827.db2.gz OAXVWXYYKMDMFG-UHFFFAOYSA-N 1 2 349.456 1.542 20 30 EDEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000329561456 539443537 /nfs/dbraw/zinc/44/35/37/539443537.db2.gz JGPFNGJTKPTFCQ-ZDUSSCGKSA-N 1 2 327.450 1.536 20 30 EDEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000329561456 539443542 /nfs/dbraw/zinc/44/35/42/539443542.db2.gz JGPFNGJTKPTFCQ-ZDUSSCGKSA-N 1 2 327.450 1.536 20 30 EDEDLO C=CCc1cc(CNC(=O)[C@@H]2COCC[N@H+]2CC)cc(OC)c1OC ZINC000342379759 539760633 /nfs/dbraw/zinc/76/06/33/539760633.db2.gz ROENJYHFXJKJMN-INIZCTEOSA-N 1 2 348.443 1.769 20 30 EDEDLO C=CCc1cc(CNC(=O)[C@@H]2COCC[N@@H+]2CC)cc(OC)c1OC ZINC000342379759 539760637 /nfs/dbraw/zinc/76/06/37/539760637.db2.gz ROENJYHFXJKJMN-INIZCTEOSA-N 1 2 348.443 1.769 20 30 EDEDLO N#C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@]12C(=O)Nc1ccccc12 ZINC000374385011 283067639 /nfs/dbraw/zinc/06/76/39/283067639.db2.gz KFKOSUXAQCNNSE-UGSOOPFHSA-N 1 2 335.367 1.145 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCc3cc[nH]c(=O)c3C2)C1=O ZINC000369595009 283227358 /nfs/dbraw/zinc/22/73/58/283227358.db2.gz MKPLZFMVMOUDEQ-CQSZACIVSA-N 1 2 340.408 1.884 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCc3cc[nH]c(=O)c3C2)C1=O ZINC000369595009 283227359 /nfs/dbraw/zinc/22/73/59/283227359.db2.gz MKPLZFMVMOUDEQ-CQSZACIVSA-N 1 2 340.408 1.884 20 30 EDEDLO CCCN1C(=O)CC[C@H](C(=O)N(CC)CCC#N)[C@@H]1c1c[nH+]cn1C ZINC000355040703 283312331 /nfs/dbraw/zinc/31/23/31/283312331.db2.gz QBUSCIDPFAPOFC-WMLDXEAASA-N 1 2 345.447 1.872 20 30 EDEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)n1 ZINC000564039909 306354320 /nfs/dbraw/zinc/35/43/20/306354320.db2.gz WBHSQTQCXHTZLM-UHFFFAOYSA-N 1 2 337.383 1.457 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCNC(=O)CC2)c1 ZINC000054867663 201133610 /nfs/dbraw/zinc/13/36/10/201133610.db2.gz OVWBPQNMYLXNSN-UHFFFAOYSA-N 1 2 328.416 1.372 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCNC(=O)CC2)c1 ZINC000054867663 201133613 /nfs/dbraw/zinc/13/36/13/201133613.db2.gz OVWBPQNMYLXNSN-UHFFFAOYSA-N 1 2 328.416 1.372 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCC(=O)Nc1cc(C)ccc1OC)C1CC1 ZINC000274250082 201266480 /nfs/dbraw/zinc/26/64/80/201266480.db2.gz ZMWXKGRUYPOOHU-UHFFFAOYSA-N 1 2 329.400 1.156 20 30 EDEDLO C#CC[N@H+](CC(=O)NCC(=O)Nc1cc(C)ccc1OC)C1CC1 ZINC000274250082 201266483 /nfs/dbraw/zinc/26/64/83/201266483.db2.gz ZMWXKGRUYPOOHU-UHFFFAOYSA-N 1 2 329.400 1.156 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c1C ZINC000275008997 201276225 /nfs/dbraw/zinc/27/62/25/201276225.db2.gz RAVQYSXDBZXFTQ-UHFFFAOYSA-N 1 2 326.400 1.615 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCc3n[nH]c(=O)cc3C2)c1C ZINC000275008997 201276228 /nfs/dbraw/zinc/27/62/28/201276228.db2.gz RAVQYSXDBZXFTQ-UHFFFAOYSA-N 1 2 326.400 1.615 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000278601088 201305834 /nfs/dbraw/zinc/30/58/34/201305834.db2.gz VCLDLCXWZPTIMU-IPMKNSEASA-N 1 2 344.455 1.985 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000278601088 201305837 /nfs/dbraw/zinc/30/58/37/201305837.db2.gz VCLDLCXWZPTIMU-IPMKNSEASA-N 1 2 344.455 1.985 20 30 EDEDLO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000278817398 201310884 /nfs/dbraw/zinc/31/08/84/201310884.db2.gz HGPSVZGDOILISG-KRWDZBQOSA-N 1 2 336.432 1.677 20 30 EDEDLO O=S1(=O)CCCN1[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000278817398 201310887 /nfs/dbraw/zinc/31/08/87/201310887.db2.gz HGPSVZGDOILISG-KRWDZBQOSA-N 1 2 336.432 1.677 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000156389054 205084407 /nfs/dbraw/zinc/08/44/07/205084407.db2.gz MZVQTZAKDDDMSH-UHFFFAOYSA-N 1 2 339.380 1.617 20 30 EDEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C(N)=O)O1 ZINC000156951822 205138634 /nfs/dbraw/zinc/13/86/34/205138634.db2.gz LZPLKHVCRBZKLN-RISCZKNCSA-N 1 2 342.317 1.511 20 30 EDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H](C(N)=O)O1 ZINC000156951822 205138638 /nfs/dbraw/zinc/13/86/38/205138638.db2.gz LZPLKHVCRBZKLN-RISCZKNCSA-N 1 2 342.317 1.511 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155528654 206013376 /nfs/dbraw/zinc/01/33/76/206013376.db2.gz BGWUHQDYHIEAKR-CABCVRRESA-N 1 2 342.447 1.260 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155528654 206013382 /nfs/dbraw/zinc/01/33/82/206013382.db2.gz BGWUHQDYHIEAKR-CABCVRRESA-N 1 2 342.447 1.260 20 30 EDEDLO N#CCN1CCC[C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000266066501 249345693 /nfs/dbraw/zinc/34/56/93/249345693.db2.gz HMKGGGFQAANKJA-QGZVFWFLSA-N 1 2 337.427 1.897 20 30 EDEDLO C=CCCC(=O)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCOCC2)C1 ZINC000286067837 249645619 /nfs/dbraw/zinc/64/56/19/249645619.db2.gz AVEKBCSPQQPFTC-OAHLLOKOSA-N 1 2 332.448 1.914 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000346249094 250041834 /nfs/dbraw/zinc/04/18/34/250041834.db2.gz QHLRNXIBVMLBMQ-NSHDSACASA-N 1 2 343.353 1.828 20 30 EDEDLO CC#CCCCC(=O)N(C)C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351909698 250065905 /nfs/dbraw/zinc/06/59/05/250065905.db2.gz VQKWTVAYDAHJOG-SJORKVTESA-N 1 2 334.439 1.985 20 30 EDEDLO CC#CCCCC(=O)N(C)C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351909698 250065907 /nfs/dbraw/zinc/06/59/07/250065907.db2.gz VQKWTVAYDAHJOG-SJORKVTESA-N 1 2 334.439 1.985 20 30 EDEDLO CN(CC(=O)NC1(C#N)CCC1)Cc1[nH+]ccn1CC(F)(F)F ZINC000346844164 250047003 /nfs/dbraw/zinc/04/70/03/250047003.db2.gz DPMWVGRBWHZNER-UHFFFAOYSA-N 1 2 329.326 1.440 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000346994966 250050926 /nfs/dbraw/zinc/05/09/26/250050926.db2.gz LANWQPGTXCVJJX-LBPRGKRZSA-N 1 2 344.375 1.038 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000346994966 250050928 /nfs/dbraw/zinc/05/09/28/250050928.db2.gz LANWQPGTXCVJJX-LBPRGKRZSA-N 1 2 344.375 1.038 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000352236738 250075939 /nfs/dbraw/zinc/07/59/39/250075939.db2.gz FOAMQRZSMDXELV-HZPDHXFCSA-N 1 2 337.464 1.171 20 30 EDEDLO C=CCOC[C@H]([NH2+]C1CCN(c2nccs2)CC1)C(=O)OC ZINC000361112585 250171452 /nfs/dbraw/zinc/17/14/52/250171452.db2.gz ZSHSIUAZTPFWDV-ZDUSSCGKSA-N 1 2 325.434 1.446 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)S1 ZINC000177219476 207307881 /nfs/dbraw/zinc/30/78/81/207307881.db2.gz ZZVBTFCTESADGW-ZDUSSCGKSA-N 1 2 343.456 1.606 20 30 EDEDLO C=CCC1(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCOCC1 ZINC000424569881 252258149 /nfs/dbraw/zinc/25/81/49/252258149.db2.gz DFSVVGSCTALBSG-UHFFFAOYSA-N 1 2 345.443 1.907 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000460070848 255014622 /nfs/dbraw/zinc/01/46/22/255014622.db2.gz UDYYKCHINOQAJX-UHFFFAOYSA-N 1 2 349.394 1.312 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000488905786 255058912 /nfs/dbraw/zinc/05/89/12/255058912.db2.gz XCNXSKCWBYPNNB-OAHLLOKOSA-N 1 2 325.416 1.811 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000488905786 255058913 /nfs/dbraw/zinc/05/89/13/255058913.db2.gz XCNXSKCWBYPNNB-OAHLLOKOSA-N 1 2 325.416 1.811 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000489036909 255062474 /nfs/dbraw/zinc/06/24/74/255062474.db2.gz GNDQQUDKQDICKH-UHFFFAOYSA-N 1 2 346.387 1.603 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(CC)c(C)s2)CC1 ZINC000490617587 255095290 /nfs/dbraw/zinc/09/52/90/255095290.db2.gz RJEFDXFCECBYNA-UHFFFAOYSA-N 1 2 347.484 1.516 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(CC)c(C)s2)CC1 ZINC000490617587 255095292 /nfs/dbraw/zinc/09/52/92/255095292.db2.gz RJEFDXFCECBYNA-UHFFFAOYSA-N 1 2 347.484 1.516 20 30 EDEDLO C#C[C@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(C)C ZINC000491633894 255134868 /nfs/dbraw/zinc/13/48/68/255134868.db2.gz QBIBUDVJUIOTQK-HNNXBMFYSA-N 1 2 343.431 1.249 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2cccc(F)c2)n1 ZINC000491639586 255136490 /nfs/dbraw/zinc/13/64/90/255136490.db2.gz ZPRYDJYNDIFYIT-SFHVURJKSA-N 1 2 331.391 1.837 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2cccc(F)c2)n1 ZINC000491639586 255136491 /nfs/dbraw/zinc/13/64/91/255136491.db2.gz ZPRYDJYNDIFYIT-SFHVURJKSA-N 1 2 331.391 1.837 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(C(N)=O)c2)n1 ZINC000491706638 255143876 /nfs/dbraw/zinc/14/38/76/255143876.db2.gz NQCOILCLWZVGJE-UHFFFAOYSA-N 1 2 326.400 1.264 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(C(N)=O)c2)n1 ZINC000491706638 255143877 /nfs/dbraw/zinc/14/38/77/255143877.db2.gz NQCOILCLWZVGJE-UHFFFAOYSA-N 1 2 326.400 1.264 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495030831 255266329 /nfs/dbraw/zinc/26/63/29/255266329.db2.gz LBQCJWHJANUULT-LBPRGKRZSA-N 1 2 328.372 1.460 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1nccnc1C#N ZINC000496272339 255373055 /nfs/dbraw/zinc/37/30/55/255373055.db2.gz HCTXJBRUVASDJX-LBPRGKRZSA-N 1 2 332.408 1.311 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1nccnc1C#N ZINC000496272339 255373056 /nfs/dbraw/zinc/37/30/56/255373056.db2.gz HCTXJBRUVASDJX-LBPRGKRZSA-N 1 2 332.408 1.311 20 30 EDEDLO COC[C@H](C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000264083893 139379700 /nfs/dbraw/zinc/37/97/00/139379700.db2.gz DLTXXZVHZAATBU-OAHLLOKOSA-N 1 2 330.432 1.668 20 30 EDEDLO COC(=O)CCc1nc(CO[NH+]=C(N)c2ccc(F)c(F)c2)no1 ZINC000111177274 533462353 /nfs/dbraw/zinc/46/23/53/533462353.db2.gz MYUMJPFTDRFAJO-UHFFFAOYSA-N 1 2 340.286 1.291 20 30 EDEDLO C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271298701 140273316 /nfs/dbraw/zinc/27/33/16/140273316.db2.gz QLHJWVHKACUUMP-MAUKXSAKSA-N 1 2 342.443 1.953 20 30 EDEDLO CC[NH+]1C[C@@H](C)N(CCS(=O)(=O)c2cccc(C#N)c2)[C@H](C)C1 ZINC000331361059 141011566 /nfs/dbraw/zinc/01/15/66/141011566.db2.gz YONYHDKZDGDSBT-HUUCEWRRSA-N 1 2 335.473 1.746 20 30 EDEDLO C[N@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000332397685 141175089 /nfs/dbraw/zinc/17/50/89/141175089.db2.gz UEDHMGNWKXBXOX-ZJUUUORDSA-N 1 2 333.335 1.580 20 30 EDEDLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000332397685 141175090 /nfs/dbraw/zinc/17/50/90/141175090.db2.gz UEDHMGNWKXBXOX-ZJUUUORDSA-N 1 2 333.335 1.580 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC000332484308 141189052 /nfs/dbraw/zinc/18/90/52/141189052.db2.gz NIHUSBKKPSBLDC-HOTGVXAUSA-N 1 2 332.379 1.312 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)NCc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC000332484308 141189053 /nfs/dbraw/zinc/18/90/53/141189053.db2.gz NIHUSBKKPSBLDC-HOTGVXAUSA-N 1 2 332.379 1.312 20 30 EDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)Nc1sccc1C#N ZINC000340373408 142364353 /nfs/dbraw/zinc/36/43/53/142364353.db2.gz DWXVETOZNADNCB-UHFFFAOYSA-N 1 2 343.412 1.750 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000340800932 142486689 /nfs/dbraw/zinc/48/66/89/142486689.db2.gz RICQSUMAJOCCFD-INIZCTEOSA-N 1 2 328.416 1.171 20 30 EDEDLO CN1C[C@@H]2[C@@H](CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)C1=O ZINC000345049204 143043806 /nfs/dbraw/zinc/04/38/06/143043806.db2.gz HELAHBJGZDBFPJ-HUUCEWRRSA-N 1 2 337.383 1.661 20 30 EDEDLO CN1C[C@@H]2[C@@H](CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)C1=O ZINC000345049204 143043807 /nfs/dbraw/zinc/04/38/07/143043807.db2.gz HELAHBJGZDBFPJ-HUUCEWRRSA-N 1 2 337.383 1.661 20 30 EDEDLO N#Cc1csc(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)n1 ZINC000352836882 149185795 /nfs/dbraw/zinc/18/57/95/149185795.db2.gz NDQLNFSHIRJBKY-JTQLQIEISA-N 1 2 343.455 1.001 20 30 EDEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1F ZINC000352875876 149198882 /nfs/dbraw/zinc/19/88/82/149198882.db2.gz LFMDUNJJEQTZIF-UHFFFAOYSA-N 1 2 337.362 1.457 20 30 EDEDLO Cc1ccccc1CNC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355102639 150117681 /nfs/dbraw/zinc/11/76/81/150117681.db2.gz RNWYNXRWNDHXFY-UHFFFAOYSA-N 1 2 349.438 1.700 20 30 EDEDLO CC(C)N(C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)C(C)C ZINC000355126269 150128492 /nfs/dbraw/zinc/12/84/92/150128492.db2.gz NIGKGPBYQCUSKD-UHFFFAOYSA-N 1 2 329.448 1.721 20 30 EDEDLO COc1cc(CNC(=O)NC[C@H](C)[NH+]2CCOCC2)ccc1C#N ZINC000357664241 151107701 /nfs/dbraw/zinc/10/77/01/151107701.db2.gz MQVDAYBFKVWPJV-ZDUSSCGKSA-N 1 2 332.404 1.087 20 30 EDEDLO COc1cc(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)ccc1C#N ZINC000357772775 151146951 /nfs/dbraw/zinc/14/69/51/151146951.db2.gz CVSPRWKYQQIZAK-KGLIPLIRSA-N 1 2 346.431 1.475 20 30 EDEDLO C[C@H](C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)c1cccc(C#N)c1 ZINC000360729577 152172884 /nfs/dbraw/zinc/17/28/84/152172884.db2.gz PVKOYWPNULCKLD-WMLDXEAASA-N 1 2 337.427 1.911 20 30 EDEDLO COC(=O)[C@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1(C)C ZINC000370228216 155388589 /nfs/dbraw/zinc/38/85/89/155388589.db2.gz UDJOLXWQQPGLAN-CHWSQXEVSA-N 1 2 347.440 1.856 20 30 EDEDLO COC(=O)[C@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1(C)C ZINC000370228216 155388593 /nfs/dbraw/zinc/38/85/93/155388593.db2.gz UDJOLXWQQPGLAN-CHWSQXEVSA-N 1 2 347.440 1.856 20 30 EDEDLO COCc1noc([C@H](C)[N@@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000364876366 153357851 /nfs/dbraw/zinc/35/78/51/153357851.db2.gz KJZINAWEUKMBLN-ZDUSSCGKSA-N 1 2 342.403 1.756 20 30 EDEDLO COCc1noc([C@H](C)[N@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000364876366 153357853 /nfs/dbraw/zinc/35/78/53/153357853.db2.gz KJZINAWEUKMBLN-ZDUSSCGKSA-N 1 2 342.403 1.756 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCc1ccc(C#N)cc1 ZINC000367742382 154252051 /nfs/dbraw/zinc/25/20/51/154252051.db2.gz UJYAWGDNHRYEBP-MAUKXSAKSA-N 1 2 327.428 1.812 20 30 EDEDLO N#Cc1cc(F)ccc1N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000374755620 157389950 /nfs/dbraw/zinc/38/99/50/157389950.db2.gz STMNERHBHSUMJS-QGZVFWFLSA-N 1 2 346.406 1.432 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000408002052 158238537 /nfs/dbraw/zinc/23/85/37/158238537.db2.gz KJHQCDIRABJGOC-HNNXBMFYSA-N 1 2 327.432 1.476 20 30 EDEDLO C[C@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)n1cnc(C#N)n1 ZINC000336964939 161673879 /nfs/dbraw/zinc/67/38/79/161673879.db2.gz FYXGPAXWDPWZFT-QWHCGFSZSA-N 1 2 335.371 1.774 20 30 EDEDLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000151177562 287593450 /nfs/dbraw/zinc/59/34/50/287593450.db2.gz GBGZPNXVKKHPAI-UHFFFAOYSA-N 1 2 341.408 1.040 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000425389896 269886235 /nfs/dbraw/zinc/88/62/35/269886235.db2.gz VNTHEZZOIYKSFN-CYBMUJFWSA-N 1 2 337.383 1.317 20 30 EDEDLO Cc1nc(N2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000295080753 270010935 /nfs/dbraw/zinc/01/09/35/270010935.db2.gz RFVJPBDHLTYFJF-UHFFFAOYSA-N 1 2 325.332 1.287 20 30 EDEDLO N#Cc1cccnc1N1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301800784 270011499 /nfs/dbraw/zinc/01/14/99/270011499.db2.gz VUTOVWWTVWTPTP-UHFFFAOYSA-N 1 2 331.383 1.805 20 30 EDEDLO CCCN1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C(C)(C)C1=O ZINC000528463390 267018747 /nfs/dbraw/zinc/01/87/47/267018747.db2.gz GVEBMGIEERVLKW-MRXNPFEDSA-N 1 2 345.443 1.631 20 30 EDEDLO CCCN1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C(C)(C)C1=O ZINC000528463390 267018749 /nfs/dbraw/zinc/01/87/49/267018749.db2.gz GVEBMGIEERVLKW-MRXNPFEDSA-N 1 2 345.443 1.631 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnn(CC(F)F)c1 ZINC000294253420 267066770 /nfs/dbraw/zinc/06/67/70/267066770.db2.gz NLYKGGDRNLYASI-GFCCVEGCSA-N 1 2 347.373 1.521 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnn(CC(F)F)c1 ZINC000294253420 267066776 /nfs/dbraw/zinc/06/67/76/267066776.db2.gz NLYKGGDRNLYASI-GFCCVEGCSA-N 1 2 347.373 1.521 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280615705 267138281 /nfs/dbraw/zinc/13/82/81/267138281.db2.gz WFRPJWROVZPHGM-LBTNJELSSA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280615705 267138283 /nfs/dbraw/zinc/13/82/83/267138283.db2.gz WFRPJWROVZPHGM-LBTNJELSSA-N 1 2 329.400 1.765 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNC(=O)COc2ccc(C#N)cc2OC)CCO1 ZINC000428080427 267203103 /nfs/dbraw/zinc/20/31/03/267203103.db2.gz SFBQCEPDKPBMRD-OAHLLOKOSA-N 1 2 347.415 1.173 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)COc2ccc(C#N)cc2OC)CCO1 ZINC000428080427 267203108 /nfs/dbraw/zinc/20/31/08/267203108.db2.gz SFBQCEPDKPBMRD-OAHLLOKOSA-N 1 2 347.415 1.173 20 30 EDEDLO C[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000293058348 267225099 /nfs/dbraw/zinc/22/50/99/267225099.db2.gz ALSUJSFKWJEKKE-KSSFIOAISA-N 1 2 342.443 1.417 20 30 EDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC000418934363 267299614 /nfs/dbraw/zinc/29/96/14/267299614.db2.gz JMJVGTVJGKMLET-INIZCTEOSA-N 1 2 346.431 1.432 20 30 EDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC000418934363 267299618 /nfs/dbraw/zinc/29/96/18/267299618.db2.gz JMJVGTVJGKMLET-INIZCTEOSA-N 1 2 346.431 1.432 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000448706925 267925755 /nfs/dbraw/zinc/92/57/55/267925755.db2.gz BFFBYKOXEPYYKF-LBPRGKRZSA-N 1 2 339.399 1.745 20 30 EDEDLO Cc1cccc2[nH+]c(CNS(=O)(=O)c3cnc(C)c(C#N)c3)cn21 ZINC000489238420 268060174 /nfs/dbraw/zinc/06/01/74/268060174.db2.gz HWTHTHFPNKPFPM-UHFFFAOYSA-N 1 2 341.396 1.696 20 30 EDEDLO Cc1ncc(C[NH+]2CCN(C(=O)c3ccc(C#N)n3C)CC2)s1 ZINC000448952282 268081364 /nfs/dbraw/zinc/08/13/64/268081364.db2.gz RGIFLUWJQJYTGN-UHFFFAOYSA-N 1 2 329.429 1.620 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NCc3cccs3)C2)nc1 ZINC000292187913 268181764 /nfs/dbraw/zinc/18/17/64/268181764.db2.gz MWYBEVOIQATKSA-CQSZACIVSA-N 1 2 342.424 1.784 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NCc3cccs3)C2)nc1 ZINC000292187913 268181765 /nfs/dbraw/zinc/18/17/65/268181765.db2.gz MWYBEVOIQATKSA-CQSZACIVSA-N 1 2 342.424 1.784 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@](O)(C(F)F)C2)cc1Cl ZINC000451420321 268241627 /nfs/dbraw/zinc/24/16/27/268241627.db2.gz AAEUHSFQEFJBND-CQSZACIVSA-N 1 2 329.734 1.852 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1Cl ZINC000451420321 268241629 /nfs/dbraw/zinc/24/16/29/268241629.db2.gz AAEUHSFQEFJBND-CQSZACIVSA-N 1 2 329.734 1.852 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000528355153 268300447 /nfs/dbraw/zinc/30/04/47/268300447.db2.gz MTMLCLYSGZHNIY-HZPDHXFCSA-N 1 2 326.400 1.901 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000528355153 268300448 /nfs/dbraw/zinc/30/04/48/268300448.db2.gz MTMLCLYSGZHNIY-HZPDHXFCSA-N 1 2 326.400 1.901 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)nc1 ZINC000179986601 272944042 /nfs/dbraw/zinc/94/40/42/272944042.db2.gz DIXLTDFHGZFZJZ-UHFFFAOYSA-N 1 2 343.394 1.795 20 30 EDEDLO Cc1cc(C)c(C#N)c(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)n1 ZINC000365918421 274682802 /nfs/dbraw/zinc/68/28/02/274682802.db2.gz IPURNQPCZXKUSF-INIZCTEOSA-N 1 2 327.432 1.361 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)N1CCn3cnnc3C1)C2 ZINC000329498144 277270304 /nfs/dbraw/zinc/27/03/04/277270304.db2.gz XTKRTMVLDOWHNU-GFCCVEGCSA-N 1 2 343.435 1.517 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)S1 ZINC000266298972 278835209 /nfs/dbraw/zinc/83/52/09/278835209.db2.gz YCLCVGXOFUVVDY-SNVBAGLBSA-N 1 2 332.389 1.475 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000267270656 280760326 /nfs/dbraw/zinc/76/03/26/280760326.db2.gz MIBIQIPXMQTHOY-UHFFFAOYSA-N 1 2 328.397 1.907 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329122672 295382385 /nfs/dbraw/zinc/38/23/85/295382385.db2.gz RHUUYFXILQLZQG-BFYDXBDKSA-N 1 2 334.420 1.600 20 30 EDEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329122672 295382389 /nfs/dbraw/zinc/38/23/89/295382389.db2.gz RHUUYFXILQLZQG-BFYDXBDKSA-N 1 2 334.420 1.600 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000342275660 300500796 /nfs/dbraw/zinc/50/07/96/300500796.db2.gz YYKDDDXJSCTDTR-AAEUAGOBSA-N 1 2 334.807 1.542 20 30 EDEDLO N#CCCCCS(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000173892743 303150134 /nfs/dbraw/zinc/15/01/34/303150134.db2.gz OWRORDYFGZFCSM-HNNXBMFYSA-N 1 2 329.466 1.197 20 30 EDEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000299552283 303627698 /nfs/dbraw/zinc/62/76/98/303627698.db2.gz VBZGUMHUGKCFIJ-UHFFFAOYSA-N 1 2 349.438 1.851 20 30 EDEDLO Cc1ccc(F)c(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000448834247 447349903 /nfs/dbraw/zinc/34/99/03/447349903.db2.gz FWYKBTIJEFYHLM-UHFFFAOYSA-N 1 2 333.407 1.751 20 30 EDEDLO COCCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000046735550 441120687 /nfs/dbraw/zinc/12/06/87/441120687.db2.gz FTUBLKIMZZMRHU-UHFFFAOYSA-N 1 2 330.432 1.812 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000046777739 441123552 /nfs/dbraw/zinc/12/35/52/441123552.db2.gz BXVGZQAKHPDCSD-UHFFFAOYSA-N 1 2 345.403 1.312 20 30 EDEDLO CCNC(=O)C[NH+]1CCN(c2nc3ccccc3c(C)c2C#N)CC1 ZINC000450248251 447438614 /nfs/dbraw/zinc/43/86/14/447438614.db2.gz WMEMDPCBRQTGQR-UHFFFAOYSA-N 1 2 337.427 1.673 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000047592217 441206492 /nfs/dbraw/zinc/20/64/92/441206492.db2.gz FMKTVHXXUWIAIX-KDOFPFPSSA-N 1 2 330.432 2.000 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000047592217 441206496 /nfs/dbraw/zinc/20/64/96/441206496.db2.gz FMKTVHXXUWIAIX-KDOFPFPSSA-N 1 2 330.432 2.000 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060480840 441246219 /nfs/dbraw/zinc/24/62/19/441246219.db2.gz BHODURFOLITDAD-INIZCTEOSA-N 1 2 341.459 1.888 20 30 EDEDLO CN(C(=O)C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1)C1CCCCC1 ZINC000048045396 441254590 /nfs/dbraw/zinc/25/45/90/441254590.db2.gz GLISXPSUHAQSRB-SFHVURJKSA-N 1 2 334.464 1.518 20 30 EDEDLO CN(C(=O)C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1)C1CCCCC1 ZINC000048045396 441254591 /nfs/dbraw/zinc/25/45/91/441254591.db2.gz GLISXPSUHAQSRB-SFHVURJKSA-N 1 2 334.464 1.518 20 30 EDEDLO Cc1cccc(C)c1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060634244 441255295 /nfs/dbraw/zinc/25/52/95/441255295.db2.gz KZYOFNQWRQPAOO-UHFFFAOYSA-N 1 2 345.443 1.757 20 30 EDEDLO C[C@@](C#N)(NC(=O)CN1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000022849087 441286941 /nfs/dbraw/zinc/28/69/41/441286941.db2.gz HZWOJMKORDDRGN-KRWDZBQOSA-N 1 2 332.473 1.674 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000081563925 441289650 /nfs/dbraw/zinc/28/96/50/441289650.db2.gz ADNWCSHWWNEHHW-JSGCOSHPSA-N 1 2 346.387 1.520 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000081563925 441289653 /nfs/dbraw/zinc/28/96/53/441289653.db2.gz ADNWCSHWWNEHHW-JSGCOSHPSA-N 1 2 346.387 1.520 20 30 EDEDLO C=CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000072629733 441242724 /nfs/dbraw/zinc/24/27/24/441242724.db2.gz QXOWWTNKOBZFCE-INIZCTEOSA-N 1 2 347.440 1.562 20 30 EDEDLO C=CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000072629733 441242728 /nfs/dbraw/zinc/24/27/28/441242728.db2.gz QXOWWTNKOBZFCE-INIZCTEOSA-N 1 2 347.440 1.562 20 30 EDEDLO COc1ccc(CNC(=O)CO[NH+]=C(N)Cc2csc(C)n2)cc1 ZINC000063456895 441329489 /nfs/dbraw/zinc/32/94/89/441329489.db2.gz BQMYKUKNSGJOTP-UHFFFAOYSA-N 1 2 348.428 1.608 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2nccn2C)CC1 ZINC000105930723 441318944 /nfs/dbraw/zinc/31/89/44/441318944.db2.gz PVBQFBFNUXERRW-MRXNPFEDSA-N 1 2 331.464 1.127 20 30 EDEDLO COCC[N@H+](C)CCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000063744327 441349566 /nfs/dbraw/zinc/34/95/66/441349566.db2.gz VREAJKRCSGOFNG-UHFFFAOYSA-N 1 2 338.433 1.079 20 30 EDEDLO COCC[N@@H+](C)CCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000063744327 441349569 /nfs/dbraw/zinc/34/95/69/441349569.db2.gz VREAJKRCSGOFNG-UHFFFAOYSA-N 1 2 338.433 1.079 20 30 EDEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000065162681 441405613 /nfs/dbraw/zinc/40/56/13/441405613.db2.gz GWEKYHRIGQWAKT-UHFFFAOYSA-N 1 2 326.400 1.709 20 30 EDEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000065162681 441405618 /nfs/dbraw/zinc/40/56/18/441405618.db2.gz GWEKYHRIGQWAKT-UHFFFAOYSA-N 1 2 326.400 1.709 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000029703266 441470600 /nfs/dbraw/zinc/47/06/00/441470600.db2.gz VFEHZOPDDAVHHO-UHFFFAOYSA-N 1 2 340.427 1.761 20 30 EDEDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856823 441476019 /nfs/dbraw/zinc/47/60/19/441476019.db2.gz FOTRTQGPGZNGDC-CQSZACIVSA-N 1 2 346.406 1.067 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000030538408 441495291 /nfs/dbraw/zinc/49/52/91/441495291.db2.gz MRJUBTDWVKYQEN-ZDUSSCGKSA-N 1 2 332.404 1.266 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000030538408 441495295 /nfs/dbraw/zinc/49/52/95/441495295.db2.gz MRJUBTDWVKYQEN-ZDUSSCGKSA-N 1 2 332.404 1.266 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000110033534 441513040 /nfs/dbraw/zinc/51/30/40/441513040.db2.gz CAKZLZJXEYJBTJ-JKIFEVAISA-N 1 2 331.416 1.849 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000110033534 441513045 /nfs/dbraw/zinc/51/30/45/441513045.db2.gz CAKZLZJXEYJBTJ-JKIFEVAISA-N 1 2 331.416 1.849 20 30 EDEDLO CCc1nc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)no1 ZINC000067098937 441605586 /nfs/dbraw/zinc/60/55/86/441605586.db2.gz XJPVMKSSQDZWPO-UHFFFAOYSA-N 1 2 330.392 1.854 20 30 EDEDLO C#CC[NH+](CC#C)CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000076185162 441607324 /nfs/dbraw/zinc/60/73/24/441607324.db2.gz DVWVMLMFEFHSIP-QGZVFWFLSA-N 1 2 343.471 1.052 20 30 EDEDLO C=CCSCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000076308318 441627551 /nfs/dbraw/zinc/62/75/51/441627551.db2.gz ZONLHRVTTXIWFR-UHFFFAOYSA-N 1 2 332.429 1.856 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC000114485878 441663750 /nfs/dbraw/zinc/66/37/50/441663750.db2.gz SLUWRRTWSPJZOC-CQSZACIVSA-N 1 2 334.420 1.018 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000114485878 441663755 /nfs/dbraw/zinc/66/37/55/441663755.db2.gz SLUWRRTWSPJZOC-CQSZACIVSA-N 1 2 334.420 1.018 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cccc(Cl)c1 ZINC000067922703 441697708 /nfs/dbraw/zinc/69/77/08/441697708.db2.gz PYRUEZKXASHYNQ-UHFFFAOYSA-N 1 2 335.835 1.957 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)Cc1ccc(F)cc1 ZINC000068334287 441777017 /nfs/dbraw/zinc/77/70/17/441777017.db2.gz ZCPARFSICVYBHP-GOSISDBHSA-N 1 2 345.418 1.388 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)Cc1ccc(F)cc1 ZINC000068334287 441777021 /nfs/dbraw/zinc/77/70/21/441777021.db2.gz ZCPARFSICVYBHP-GOSISDBHSA-N 1 2 345.418 1.388 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)cc1Cl ZINC000068428187 441795177 /nfs/dbraw/zinc/79/51/77/441795177.db2.gz MDRUCYOUUPMBEQ-UHFFFAOYSA-N 1 2 332.835 1.956 20 30 EDEDLO CN1CC[C@H](O[NH+]=C(N)c2cccc(OCc3cccnc3)c2)C1=O ZINC000116267763 441806741 /nfs/dbraw/zinc/80/67/41/441806741.db2.gz FKVWPUVJKQJICK-INIZCTEOSA-N 1 2 340.383 1.528 20 30 EDEDLO CN(C)C(=O)C[N@@H+]1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000092606452 441813542 /nfs/dbraw/zinc/81/35/42/441813542.db2.gz HHTUXFQGJSHKCY-UHFFFAOYSA-N 1 2 327.841 1.268 20 30 EDEDLO CN(C)C(=O)C[N@H+]1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000092606452 441813546 /nfs/dbraw/zinc/81/35/46/441813546.db2.gz HHTUXFQGJSHKCY-UHFFFAOYSA-N 1 2 327.841 1.268 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000118835398 441904659 /nfs/dbraw/zinc/90/46/59/441904659.db2.gz HAPPEHQTDNBWKS-LPHOPBHVSA-N 1 2 343.475 1.815 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000119690648 441947758 /nfs/dbraw/zinc/94/77/58/441947758.db2.gz JNJANZSFXXABJQ-UHFFFAOYSA-N 1 2 328.372 1.582 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc(-c2ccsc2)no1 ZINC000078720293 441965701 /nfs/dbraw/zinc/96/57/01/441965701.db2.gz WMVIUUJXOAVGKU-UHFFFAOYSA-N 1 2 347.444 1.846 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(F)c1 ZINC000125268920 442004663 /nfs/dbraw/zinc/00/46/63/442004663.db2.gz ZRNJBWNEUQRKQJ-LBPRGKRZSA-N 1 2 341.383 1.599 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000125268920 442004668 /nfs/dbraw/zinc/00/46/68/442004668.db2.gz ZRNJBWNEUQRKQJ-LBPRGKRZSA-N 1 2 341.383 1.599 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1cn(-c2ccccc2)nn1 ZINC000151218218 442026320 /nfs/dbraw/zinc/02/63/20/442026320.db2.gz CDINQTDURJDJSA-KGLIPLIRSA-N 1 2 326.404 1.678 20 30 EDEDLO CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000126221170 442089703 /nfs/dbraw/zinc/08/97/03/442089703.db2.gz NXQKAPALOPXDIB-SWLSCSKDSA-N 1 2 346.431 1.943 20 30 EDEDLO CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000126221170 442089705 /nfs/dbraw/zinc/08/97/05/442089705.db2.gz NXQKAPALOPXDIB-SWLSCSKDSA-N 1 2 346.431 1.943 20 30 EDEDLO C#CCCOc1ccc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000120763060 442128162 /nfs/dbraw/zinc/12/81/62/442128162.db2.gz HNZAJMIFDNHVKB-UHFFFAOYSA-N 1 2 341.455 1.485 20 30 EDEDLO N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000151943655 442144855 /nfs/dbraw/zinc/14/48/55/442144855.db2.gz GZSITPBMJCWKKS-HNNXBMFYSA-N 1 2 335.411 1.666 20 30 EDEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)CC1(C#N)CC1 ZINC000165730744 442210835 /nfs/dbraw/zinc/21/08/35/442210835.db2.gz KQMIFEHZSABDID-UHFFFAOYSA-N 1 2 344.440 1.997 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)ccc1F ZINC000170840399 442273005 /nfs/dbraw/zinc/27/30/05/442273005.db2.gz CFTZHRCOCGFSJZ-UHFFFAOYSA-N 1 2 341.346 1.649 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CCN1CC(F)F ZINC000153503338 442285913 /nfs/dbraw/zinc/28/59/13/442285913.db2.gz CTXCMPTWTFUNLV-BBRMVZONSA-N 1 2 330.423 1.702 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CCN1CC(F)F ZINC000153503338 442285916 /nfs/dbraw/zinc/28/59/16/442285916.db2.gz CTXCMPTWTFUNLV-BBRMVZONSA-N 1 2 330.423 1.702 20 30 EDEDLO N#CCSc1cccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000177288850 442324801 /nfs/dbraw/zinc/32/48/01/442324801.db2.gz WWGHMIVKQYWPAS-OAHLLOKOSA-N 1 2 331.441 1.895 20 30 EDEDLO N#CCSc1cccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000177288850 442324804 /nfs/dbraw/zinc/32/48/04/442324804.db2.gz WWGHMIVKQYWPAS-OAHLLOKOSA-N 1 2 331.441 1.895 20 30 EDEDLO C=CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000154528516 442344174 /nfs/dbraw/zinc/34/41/74/442344174.db2.gz IWXPDQVDALKWPR-HUUCEWRRSA-N 1 2 340.401 1.303 20 30 EDEDLO C=CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000154528516 442344175 /nfs/dbraw/zinc/34/41/75/442344175.db2.gz IWXPDQVDALKWPR-HUUCEWRRSA-N 1 2 340.401 1.303 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](C)CCN2CCOCC2)c(C#N)c1C ZINC000177164645 442307968 /nfs/dbraw/zinc/30/79/68/442307968.db2.gz KKLVAXBHVIOUAN-UHFFFAOYSA-N 1 2 336.461 1.439 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](C)CCN2CCOCC2)c(C#N)c1C ZINC000177164645 442307971 /nfs/dbraw/zinc/30/79/71/442307971.db2.gz KKLVAXBHVIOUAN-UHFFFAOYSA-N 1 2 336.461 1.439 20 30 EDEDLO Cc1sc(NC(=O)CN(C)CC[NH+]2CCOCC2)c(C#N)c1C ZINC000177164645 442307974 /nfs/dbraw/zinc/30/79/74/442307974.db2.gz KKLVAXBHVIOUAN-UHFFFAOYSA-N 1 2 336.461 1.439 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c(F)c1 ZINC000131906583 442383137 /nfs/dbraw/zinc/38/31/37/442383137.db2.gz CLUKGILHKAUFLS-UHFFFAOYSA-N 1 2 339.374 1.513 20 30 EDEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000186160631 442475305 /nfs/dbraw/zinc/47/53/05/442475305.db2.gz ARSIORYTTIYGGQ-UHFFFAOYSA-N 1 2 326.444 1.607 20 30 EDEDLO Cc1cc(C#N)ccc1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000186160631 442475310 /nfs/dbraw/zinc/47/53/10/442475310.db2.gz ARSIORYTTIYGGQ-UHFFFAOYSA-N 1 2 326.444 1.607 20 30 EDEDLO COC(=O)[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000180072689 442536149 /nfs/dbraw/zinc/53/61/49/442536149.db2.gz ZIVWTSJBEJEWQJ-MRXNPFEDSA-N 1 2 340.383 1.333 20 30 EDEDLO COC(=O)[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000180072689 442536151 /nfs/dbraw/zinc/53/61/51/442536151.db2.gz ZIVWTSJBEJEWQJ-MRXNPFEDSA-N 1 2 340.383 1.333 20 30 EDEDLO C=CCNC(=O)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000180403067 442595243 /nfs/dbraw/zinc/59/52/43/442595243.db2.gz RNDQGVONUBESKD-UHFFFAOYSA-N 1 2 327.388 1.033 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN(C)C(=O)[C@H]2C)c(OC)c1 ZINC000186998459 442643282 /nfs/dbraw/zinc/64/32/82/442643282.db2.gz CSXYRGMFPYEKIJ-ZBFHGGJFSA-N 1 2 348.443 1.326 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCN(C)C(=O)[C@H]2C)c(OC)c1 ZINC000186998459 442643286 /nfs/dbraw/zinc/64/32/86/442643286.db2.gz CSXYRGMFPYEKIJ-ZBFHGGJFSA-N 1 2 348.443 1.326 20 30 EDEDLO CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000192541124 442660737 /nfs/dbraw/zinc/66/07/37/442660737.db2.gz VVALQYMQHSUXOS-UHFFFAOYSA-N 1 2 339.399 1.829 20 30 EDEDLO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccnc(C#N)c3)CC2)cn1 ZINC000193174062 442720009 /nfs/dbraw/zinc/72/00/09/442720009.db2.gz MTELISNYPAAESP-UHFFFAOYSA-N 1 2 338.415 1.518 20 30 EDEDLO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccnc(C#N)c3)CC2)cn1 ZINC000193174062 442720011 /nfs/dbraw/zinc/72/00/11/442720011.db2.gz MTELISNYPAAESP-UHFFFAOYSA-N 1 2 338.415 1.518 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCO1 ZINC000182614435 442795729 /nfs/dbraw/zinc/79/57/29/442795729.db2.gz ZOGYIXWUFQMZSJ-GJZGRUSLSA-N 1 2 348.472 1.178 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCO1 ZINC000182614435 442795732 /nfs/dbraw/zinc/79/57/32/442795732.db2.gz ZOGYIXWUFQMZSJ-GJZGRUSLSA-N 1 2 348.472 1.178 20 30 EDEDLO C=CCN(C(=O)Cn1c(C)[nH+]c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000193885061 442804922 /nfs/dbraw/zinc/80/49/22/442804922.db2.gz ZMHUCCFCJRPFDW-CQSZACIVSA-N 1 2 347.440 1.546 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193768951 442783703 /nfs/dbraw/zinc/78/37/03/442783703.db2.gz BHODURFOLITDAD-MRXNPFEDSA-N 1 2 341.459 1.888 20 30 EDEDLO COc1cc(C[NH+]2CCN(C(=O)NC[C@H](C)C#N)CC2)cc(OC)c1 ZINC000182837108 442833076 /nfs/dbraw/zinc/83/30/76/442833076.db2.gz UHZTXHOFOFOYLG-CQSZACIVSA-N 1 2 346.431 1.691 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000268135341 442863837 /nfs/dbraw/zinc/86/38/37/442863837.db2.gz DAOLHXMOJXFASD-LSDHHAIUSA-N 1 2 330.432 1.543 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000268135341 442863841 /nfs/dbraw/zinc/86/38/41/442863841.db2.gz DAOLHXMOJXFASD-LSDHHAIUSA-N 1 2 330.432 1.543 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)[C@H]2CCN(C)C2=O)cc1 ZINC000265669038 442872416 /nfs/dbraw/zinc/87/24/16/442872416.db2.gz WGZXFBTUFMZIEK-WBVHZDCISA-N 1 2 342.443 1.793 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)[C@H]2CCN(C)C2=O)cc1 ZINC000265669038 442872417 /nfs/dbraw/zinc/87/24/17/442872417.db2.gz WGZXFBTUFMZIEK-WBVHZDCISA-N 1 2 342.443 1.793 20 30 EDEDLO COc1cccc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000247930705 442873788 /nfs/dbraw/zinc/87/37/88/442873788.db2.gz RXKSJKZFJVBRCC-UHFFFAOYSA-N 1 2 345.443 1.702 20 30 EDEDLO C=CCN(CC=C)C(=O)CN1CCc2[nH+]c[nH]c2[C@H]1c1ccnn1C ZINC000625501937 450397685 /nfs/dbraw/zinc/39/76/85/450397685.db2.gz JMXBRNCPEPHYRT-GOSISDBHSA-N 1 2 340.431 1.291 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)CC#N)c(OC)c1 ZINC000268347107 442956959 /nfs/dbraw/zinc/95/69/59/442956959.db2.gz CCQFBWSUHVNLPN-TZMCWYRMSA-N 1 2 336.388 1.455 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)CC#N)c(OC)c1 ZINC000268347107 442956963 /nfs/dbraw/zinc/95/69/63/442956963.db2.gz CCQFBWSUHVNLPN-TZMCWYRMSA-N 1 2 336.388 1.455 20 30 EDEDLO C=CC[N@@H+](CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000189663626 442991645 /nfs/dbraw/zinc/99/16/45/442991645.db2.gz CIRPOKCTJIOUIN-JTQLQIEISA-N 1 2 333.347 1.579 20 30 EDEDLO C=CC[N@H+](CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000189663626 442991648 /nfs/dbraw/zinc/99/16/48/442991648.db2.gz CIRPOKCTJIOUIN-JTQLQIEISA-N 1 2 333.347 1.579 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000249684116 443000071 /nfs/dbraw/zinc/00/00/71/443000071.db2.gz JZOIHLDMTQIPAZ-JKSUJKDBSA-N 1 2 339.457 1.274 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000249684116 443000072 /nfs/dbraw/zinc/00/00/72/443000072.db2.gz JZOIHLDMTQIPAZ-JKSUJKDBSA-N 1 2 339.457 1.274 20 30 EDEDLO COC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccco1 ZINC000184582753 443043452 /nfs/dbraw/zinc/04/34/52/443043452.db2.gz PPZURRHODYXPFY-HZPDHXFCSA-N 1 2 348.447 1.249 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000325009652 318944584 /nfs/dbraw/zinc/94/45/84/318944584.db2.gz FAGVOXVYRYTTOP-CQSZACIVSA-N 1 2 343.349 1.478 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000191217907 443260750 /nfs/dbraw/zinc/26/07/50/443260750.db2.gz AMNQREMBTZIBHZ-YCPHGPKFSA-N 1 2 333.432 1.603 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000191217907 443260754 /nfs/dbraw/zinc/26/07/54/443260754.db2.gz AMNQREMBTZIBHZ-YCPHGPKFSA-N 1 2 333.432 1.603 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000264336551 443261419 /nfs/dbraw/zinc/26/14/19/443261419.db2.gz AQXQLDDIZLPLNV-GJZGRUSLSA-N 1 2 343.362 1.583 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+](CCO)Cc3cccnc3)C2=O)cc1 ZINC000269572370 443352025 /nfs/dbraw/zinc/35/20/25/443352025.db2.gz BHMLLEBFWPECSJ-GOSISDBHSA-N 1 2 336.395 1.553 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+](CCO)Cc3cccnc3)C2=O)cc1 ZINC000269572370 443352029 /nfs/dbraw/zinc/35/20/29/443352029.db2.gz BHMLLEBFWPECSJ-GOSISDBHSA-N 1 2 336.395 1.553 20 30 EDEDLO CNC(=O)C[NH+]1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000272889032 443480968 /nfs/dbraw/zinc/48/09/68/443480968.db2.gz XIVKMAHBIVPIMR-UHFFFAOYSA-N 1 2 337.221 1.189 20 30 EDEDLO CCOCCCNC(=O)[C@H](C)O[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000267435368 443456443 /nfs/dbraw/zinc/45/64/43/443456443.db2.gz OPEGWJRKKWZJEF-ZDUSSCGKSA-N 1 2 337.420 1.458 20 30 EDEDLO C=CCN(CCc1ccco1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000272317290 443590234 /nfs/dbraw/zinc/59/02/34/443590234.db2.gz HLDHXQFNCLSWJO-MRXNPFEDSA-N 1 2 334.464 1.656 20 30 EDEDLO CCOC(=O)[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[C@H](C)CC ZINC000272386667 443610416 /nfs/dbraw/zinc/61/04/16/443610416.db2.gz XHHQKZVRIXIWPA-FRFSOERESA-N 1 2 334.416 1.865 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)(C)C ZINC000290940471 443716439 /nfs/dbraw/zinc/71/64/39/443716439.db2.gz FXGIRDKYZAIDIF-UONOGXRCSA-N 1 2 344.463 1.834 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)(C)C ZINC000290940471 443716441 /nfs/dbraw/zinc/71/64/41/443716441.db2.gz FXGIRDKYZAIDIF-UONOGXRCSA-N 1 2 344.463 1.834 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccc(C#N)o1)C2 ZINC000286858711 443727697 /nfs/dbraw/zinc/72/76/97/443727697.db2.gz LKMPRKLUQPVXIU-UHFFFAOYSA-N 1 2 334.401 1.755 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2nc3cccc(C)c3s2)CC1 ZINC000280721899 443743119 /nfs/dbraw/zinc/74/31/19/443743119.db2.gz MFWRFUJTAMBJAA-UHFFFAOYSA-N 1 2 328.441 1.476 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000292240451 443784898 /nfs/dbraw/zinc/78/48/98/443784898.db2.gz CDHMTACWVNNSBG-KFWWJZLASA-N 1 2 346.431 1.561 20 30 EDEDLO C#C[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)C(C)C ZINC000280989031 443790841 /nfs/dbraw/zinc/79/08/41/443790841.db2.gz CENIKAQZMMPFBW-QRVBRYPASA-N 1 2 341.455 1.939 20 30 EDEDLO C#C[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)C(C)C ZINC000280989031 443790845 /nfs/dbraw/zinc/79/08/45/443790845.db2.gz CENIKAQZMMPFBW-QRVBRYPASA-N 1 2 341.455 1.939 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000291272974 443754500 /nfs/dbraw/zinc/75/45/00/443754500.db2.gz LKRMKKMWZCTBKW-CQSZACIVSA-N 1 2 341.346 1.524 20 30 EDEDLO Cc1nc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)ccc1C#N ZINC000291705914 443764858 /nfs/dbraw/zinc/76/48/58/443764858.db2.gz UYZYQBNEBVABMF-UHFFFAOYSA-N 1 2 341.459 1.786 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCCc3ccccc32)C1=O ZINC000280889531 443768014 /nfs/dbraw/zinc/76/80/14/443768014.db2.gz AULDWJROHIJIFT-KRWDZBQOSA-N 1 2 327.428 1.685 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCCc3ccccc32)C1=O ZINC000280889531 443768017 /nfs/dbraw/zinc/76/80/17/443768017.db2.gz AULDWJROHIJIFT-KRWDZBQOSA-N 1 2 327.428 1.685 20 30 EDEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000298480679 443779086 /nfs/dbraw/zinc/77/90/86/443779086.db2.gz JBPQYAUQYOYLHN-GFCCVEGCSA-N 1 2 341.333 1.898 20 30 EDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000298480679 443779091 /nfs/dbraw/zinc/77/90/91/443779091.db2.gz JBPQYAUQYOYLHN-GFCCVEGCSA-N 1 2 341.333 1.898 20 30 EDEDLO C[C@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000284552483 443779202 /nfs/dbraw/zinc/77/92/02/443779202.db2.gz WAJFVNTUDWDRMT-GWCFXTLKSA-N 1 2 325.796 1.985 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000298707196 443844551 /nfs/dbraw/zinc/84/45/51/443844551.db2.gz ACKYOQDKYZBWKG-STQMWFEESA-N 1 2 349.431 1.845 20 30 EDEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000298572893 443803524 /nfs/dbraw/zinc/80/35/24/443803524.db2.gz QMXFIZMTQWPJOL-MRXNPFEDSA-N 1 2 342.439 1.922 20 30 EDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000298572893 443803531 /nfs/dbraw/zinc/80/35/31/443803531.db2.gz QMXFIZMTQWPJOL-MRXNPFEDSA-N 1 2 342.439 1.922 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CCc3sccc3C2)C1=O ZINC000281213143 443848980 /nfs/dbraw/zinc/84/89/80/443848980.db2.gz DJGQDTUPGRKCKO-CQSZACIVSA-N 1 2 333.457 1.352 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3sccc3C2)C1=O ZINC000281213143 443848983 /nfs/dbraw/zinc/84/89/83/443848983.db2.gz DJGQDTUPGRKCKO-CQSZACIVSA-N 1 2 333.457 1.352 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCc2cccc(OC)c2)C1=O ZINC000281381915 443895508 /nfs/dbraw/zinc/89/55/08/443895508.db2.gz PCJVYKILFYWUKZ-WMLDXEAASA-N 1 2 345.443 1.419 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCc2cccc(OC)c2)C1=O ZINC000281381915 443895514 /nfs/dbraw/zinc/89/55/14/443895514.db2.gz PCJVYKILFYWUKZ-WMLDXEAASA-N 1 2 345.443 1.419 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCCc2cccs2)C1=O ZINC000281219660 443851083 /nfs/dbraw/zinc/85/10/83/443851083.db2.gz DRKBZTPVCYAGPR-DZGCQCFKSA-N 1 2 335.473 1.514 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCCc2cccs2)C1=O ZINC000281219660 443851088 /nfs/dbraw/zinc/85/10/88/443851088.db2.gz DRKBZTPVCYAGPR-DZGCQCFKSA-N 1 2 335.473 1.514 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)C1=O ZINC000292877477 443867561 /nfs/dbraw/zinc/86/75/61/443867561.db2.gz DSGIZQOQCHLVQT-IAGOWNOFSA-N 1 2 327.428 1.207 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)C1=O ZINC000292877477 443867565 /nfs/dbraw/zinc/86/75/65/443867565.db2.gz DSGIZQOQCHLVQT-IAGOWNOFSA-N 1 2 327.428 1.207 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](CCO)Cc2cc(OC)ccc2OC)C1=O ZINC000282043863 444071040 /nfs/dbraw/zinc/07/10/40/444071040.db2.gz REUDDKHJWCCJEJ-MRXNPFEDSA-N 1 2 334.416 1.285 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](CCO)Cc2cc(OC)ccc2OC)C1=O ZINC000282043863 444071045 /nfs/dbraw/zinc/07/10/45/444071045.db2.gz REUDDKHJWCCJEJ-MRXNPFEDSA-N 1 2 334.416 1.285 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000277898305 444063011 /nfs/dbraw/zinc/06/30/11/444063011.db2.gz WMLPDDPWUCLSNN-MRXNPFEDSA-N 1 2 349.456 1.074 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000277898305 444063015 /nfs/dbraw/zinc/06/30/15/444063015.db2.gz WMLPDDPWUCLSNN-MRXNPFEDSA-N 1 2 349.456 1.074 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(CC(=O)Nc3ccccc3)CC2)C1=O ZINC000282024099 444065553 /nfs/dbraw/zinc/06/55/53/444065553.db2.gz PLPSOIHMQLXQDA-KRWDZBQOSA-N 1 2 342.443 1.030 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000566005158 321209841 /nfs/dbraw/zinc/20/98/41/321209841.db2.gz VPAZZTMMNDHBCO-UHFFFAOYSA-N 1 2 348.453 1.851 20 30 EDEDLO COc1cc(C#N)cc(Cl)c1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000570574783 321349269 /nfs/dbraw/zinc/34/92/69/321349269.db2.gz YBVBEIWMHCHOAS-ZDUSSCGKSA-N 1 2 339.823 1.207 20 30 EDEDLO COC(=O)Cn1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)nn1 ZINC000294514617 444119523 /nfs/dbraw/zinc/11/95/23/444119523.db2.gz DQFCXGOTFKVRIJ-UHFFFAOYSA-N 1 2 327.388 1.733 20 30 EDEDLO COC(=O)Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)nn1 ZINC000294514617 444119525 /nfs/dbraw/zinc/11/95/25/444119525.db2.gz DQFCXGOTFKVRIJ-UHFFFAOYSA-N 1 2 327.388 1.733 20 30 EDEDLO COc1cc(C[NH+]2CCN(Cc3noc(C)n3)CC2)ccc1C#N ZINC000282194025 444110849 /nfs/dbraw/zinc/11/08/49/444110849.db2.gz GKGWKYHDNDVKBN-UHFFFAOYSA-N 1 2 327.388 1.576 20 30 EDEDLO CO[C@H](Cc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000294368227 444114758 /nfs/dbraw/zinc/11/47/58/444114758.db2.gz BEJSQAKPYUTLLK-GOSISDBHSA-N 1 2 345.443 1.319 20 30 EDEDLO C=CCC(F)(F)C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000294606809 444128005 /nfs/dbraw/zinc/12/80/05/444128005.db2.gz DNCHLFUIAKUFES-UHFFFAOYSA-N 1 2 331.407 1.601 20 30 EDEDLO C=CCC(F)(F)C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000294606809 444128009 /nfs/dbraw/zinc/12/80/09/444128009.db2.gz DNCHLFUIAKUFES-UHFFFAOYSA-N 1 2 331.407 1.601 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000295315397 444177668 /nfs/dbraw/zinc/17/76/68/444177668.db2.gz OMTLUKGYWVZADH-HUUCEWRRSA-N 1 2 336.457 1.584 20 30 EDEDLO C[C@@H](C(N)=O)[NH+]1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC000301784622 444190287 /nfs/dbraw/zinc/19/02/87/444190287.db2.gz OVBOOYUEKVRMAC-NSHDSACASA-N 1 2 343.818 1.756 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289693127 444191216 /nfs/dbraw/zinc/19/12/16/444191216.db2.gz QLFSROWVHJFKJB-CABCVRRESA-N 1 2 337.370 1.471 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289693127 444191218 /nfs/dbraw/zinc/19/12/18/444191218.db2.gz QLFSROWVHJFKJB-CABCVRRESA-N 1 2 337.370 1.471 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCN(Cc3ccccc3)C(=O)C2(C)C)C1=O ZINC000295770759 444192532 /nfs/dbraw/zinc/19/25/32/444192532.db2.gz SOMPIEFAGOYCDL-KRWDZBQOSA-N 1 2 341.455 1.896 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCN(Cc3ccccc3)C(=O)C2(C)C)C1=O ZINC000295770759 444192533 /nfs/dbraw/zinc/19/25/33/444192533.db2.gz SOMPIEFAGOYCDL-KRWDZBQOSA-N 1 2 341.455 1.896 20 30 EDEDLO CN(C)C(=O)O[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000296695929 444248388 /nfs/dbraw/zinc/24/83/88/444248388.db2.gz MGEURWUGHIMPED-INIZCTEOSA-N 1 2 344.415 1.706 20 30 EDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000296695929 444248389 /nfs/dbraw/zinc/24/83/89/444248389.db2.gz MGEURWUGHIMPED-INIZCTEOSA-N 1 2 344.415 1.706 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2c(n1)CCC2 ZINC000296793159 444254604 /nfs/dbraw/zinc/25/46/04/444254604.db2.gz LMNHVSUKXNPECG-UHFFFAOYSA-N 1 2 343.431 1.650 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296948936 444264352 /nfs/dbraw/zinc/26/43/52/444264352.db2.gz XUFRMQGANPBPET-IBGZPJMESA-N 1 2 342.443 1.804 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296948936 444264353 /nfs/dbraw/zinc/26/43/53/444264353.db2.gz XUFRMQGANPBPET-IBGZPJMESA-N 1 2 342.443 1.804 20 30 EDEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)Cc1cccc(C#N)c1 ZINC000303032661 444232756 /nfs/dbraw/zinc/23/27/56/444232756.db2.gz XRBQAZNJFZTJQL-QGZVFWFLSA-N 1 2 340.427 1.270 20 30 EDEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)Cc1cccc(C#N)c1 ZINC000303032661 444232757 /nfs/dbraw/zinc/23/27/57/444232757.db2.gz XRBQAZNJFZTJQL-QGZVFWFLSA-N 1 2 340.427 1.270 20 30 EDEDLO CC[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000318401547 444319227 /nfs/dbraw/zinc/31/92/27/444319227.db2.gz GQJHHIDPONSNDO-GFCCVEGCSA-N 1 2 343.836 1.211 20 30 EDEDLO CC[N@H+]1CCO[C@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000318401547 444319230 /nfs/dbraw/zinc/31/92/30/444319230.db2.gz GQJHHIDPONSNDO-GFCCVEGCSA-N 1 2 343.836 1.211 20 30 EDEDLO C[N@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000305813439 444281784 /nfs/dbraw/zinc/28/17/84/444281784.db2.gz IYJOOJNCFYDZLR-UONOGXRCSA-N 1 2 341.333 1.909 20 30 EDEDLO C[N@@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000305813439 444281785 /nfs/dbraw/zinc/28/17/85/444281785.db2.gz IYJOOJNCFYDZLR-UONOGXRCSA-N 1 2 341.333 1.909 20 30 EDEDLO Cc1nsc(NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1C#N ZINC000297444229 444286923 /nfs/dbraw/zinc/28/69/23/444286923.db2.gz OLYKDGFZSJHMRT-ZWNOBZJWSA-N 1 2 335.433 1.508 20 30 EDEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCNC(=O)C1 ZINC000328782774 444351113 /nfs/dbraw/zinc/35/11/13/444351113.db2.gz VEGNCNNFIJRAGG-CQSZACIVSA-N 1 2 336.436 1.254 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000328811356 444361137 /nfs/dbraw/zinc/36/11/37/444361137.db2.gz FHSBWDYNZIAGTN-GDBMZVCRSA-N 1 2 325.453 1.370 20 30 EDEDLO CSCCCCNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000331041287 444371062 /nfs/dbraw/zinc/37/10/62/444371062.db2.gz QOHYYAAJWYCVHT-CYBMUJFWSA-N 1 2 325.482 1.766 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC000290895388 444336083 /nfs/dbraw/zinc/33/60/83/444336083.db2.gz BVMUXRBVQPWVSB-UONOGXRCSA-N 1 2 330.436 1.444 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)C ZINC000290895388 444336086 /nfs/dbraw/zinc/33/60/86/444336086.db2.gz BVMUXRBVQPWVSB-UONOGXRCSA-N 1 2 330.436 1.444 20 30 EDEDLO [O-]C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000328677284 444426164 /nfs/dbraw/zinc/42/61/64/444426164.db2.gz AMWBLOBRIYMMSH-SQWLQELKSA-N 1 2 348.447 1.269 20 30 EDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000328677284 444426167 /nfs/dbraw/zinc/42/61/67/444426167.db2.gz AMWBLOBRIYMMSH-SQWLQELKSA-N 1 2 348.447 1.269 20 30 EDEDLO CCN1CCN(C(=O)N[C@H](C)[C@@H]2CCCO2)C[C@@H]1c1[nH+]ccn1C ZINC000328635776 444406636 /nfs/dbraw/zinc/40/66/36/444406636.db2.gz VCOIEHHBWSTAAV-KFWWJZLASA-N 1 2 335.452 1.580 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000328862061 444378749 /nfs/dbraw/zinc/37/87/49/444378749.db2.gz LXCUJZFYXQXCJK-ZDUSSCGKSA-N 1 2 333.436 1.025 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC1 ZINC000328862061 444378755 /nfs/dbraw/zinc/37/87/55/444378755.db2.gz LXCUJZFYXQXCJK-ZDUSSCGKSA-N 1 2 333.436 1.025 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000328912939 444399610 /nfs/dbraw/zinc/39/96/10/444399610.db2.gz HRLQNQMVOYRDSP-UHFFFAOYSA-N 1 2 345.407 1.099 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000328912939 444399614 /nfs/dbraw/zinc/39/96/14/444399614.db2.gz HRLQNQMVOYRDSP-UHFFFAOYSA-N 1 2 345.407 1.099 20 30 EDEDLO CC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000331237685 444453959 /nfs/dbraw/zinc/45/39/59/444453959.db2.gz LDNKTHIKDTVOIR-MCIONIFRSA-N 1 2 326.441 1.647 20 30 EDEDLO CC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331237685 444453960 /nfs/dbraw/zinc/45/39/60/444453960.db2.gz LDNKTHIKDTVOIR-MCIONIFRSA-N 1 2 326.441 1.647 20 30 EDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329045021 444456426 /nfs/dbraw/zinc/45/64/26/444456426.db2.gz UNVCFXPWCUIVDJ-OLZOCXBDSA-N 1 2 334.424 1.695 20 30 EDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329045021 444456429 /nfs/dbraw/zinc/45/64/29/444456429.db2.gz UNVCFXPWCUIVDJ-OLZOCXBDSA-N 1 2 334.424 1.695 20 30 EDEDLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331310516 444464212 /nfs/dbraw/zinc/46/42/12/444464212.db2.gz YTATYUOCDHNUJP-DTWKUNHWSA-N 1 2 347.341 1.656 20 30 EDEDLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331310516 444464213 /nfs/dbraw/zinc/46/42/13/444464213.db2.gz YTATYUOCDHNUJP-DTWKUNHWSA-N 1 2 347.341 1.656 20 30 EDEDLO C[NH+]1CCN(CCC(C)(C)NC(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC000329075082 444465796 /nfs/dbraw/zinc/46/57/96/444465796.db2.gz AFGUUDCBHJGGSK-ZDUSSCGKSA-N 1 2 334.468 1.282 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000328974082 444431016 /nfs/dbraw/zinc/43/10/16/444431016.db2.gz VVMGRIASPPOZJD-SQWLQELKSA-N 1 2 336.436 1.565 20 30 EDEDLO C[C@H](O)CC(C)(C)CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000331198393 444440190 /nfs/dbraw/zinc/44/01/90/444440190.db2.gz OPRAMAVVJCMUJN-GUTXKFCHSA-N 1 2 338.452 1.941 20 30 EDEDLO Cc1noc([C@@H]2CCN(C(=O)N[C@H](C)[C@H](C)[NH+]3CCOCC3)C2)n1 ZINC000329131441 444480107 /nfs/dbraw/zinc/48/01/07/444480107.db2.gz OVXRLIIMJKRTKY-MBNYWOFBSA-N 1 2 337.424 1.191 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc2c(c1)COC2 ZINC000329269860 444517418 /nfs/dbraw/zinc/51/74/18/444517418.db2.gz INLDQJDVTKMERQ-RDTXWAMCSA-N 1 2 345.443 1.926 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](C(=O)N3CCn4cc[nH+]c4C3)C2)c(F)c1 ZINC000329313257 444530521 /nfs/dbraw/zinc/53/05/21/444530521.db2.gz QAIFEGJQZYIBRA-AWEZNQCLSA-N 1 2 339.374 1.763 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000329402618 444564602 /nfs/dbraw/zinc/56/46/02/444564602.db2.gz ZKOWGMCQAOWCLJ-ZBFHGGJFSA-N 1 2 335.452 1.582 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCN4CCOC[C@@H]4C3)o2)c1 ZINC000329441703 444581159 /nfs/dbraw/zinc/58/11/59/444581159.db2.gz NEBHVRKIEQHQER-HNNXBMFYSA-N 1 2 325.372 1.125 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCN4CCOC[C@@H]4C3)o2)c1 ZINC000329441703 444581166 /nfs/dbraw/zinc/58/11/66/444581166.db2.gz NEBHVRKIEQHQER-HNNXBMFYSA-N 1 2 325.372 1.125 20 30 EDEDLO N#Cc1ccncc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000341008443 444628454 /nfs/dbraw/zinc/62/84/54/444628454.db2.gz AEJCNIZEJXJGOU-UHFFFAOYSA-N 1 2 336.395 1.790 20 30 EDEDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)CC2(CC#N)CC2)C[C@@H](C)O1 ZINC000329559878 444629715 /nfs/dbraw/zinc/62/97/15/444629715.db2.gz FRBPSXDPADCTAJ-ZIAGYGMSSA-N 1 2 343.493 1.487 20 30 EDEDLO CC#CCN(C)C(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000341012251 444631463 /nfs/dbraw/zinc/63/14/63/444631463.db2.gz WZOQJZCIQBJCKB-RHSMWYFYSA-N 1 2 330.432 1.592 20 30 EDEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NC[C@H]1Cc2ccccc2O1 ZINC000329470689 444592929 /nfs/dbraw/zinc/59/29/29/444592929.db2.gz YZZGPGAYDRISCF-OLZOCXBDSA-N 1 2 344.371 1.023 20 30 EDEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC3CC3)C2)[nH]1 ZINC000329485011 444599349 /nfs/dbraw/zinc/59/93/49/444599349.db2.gz SNASBJOAUCBKLG-DGCLKSJQSA-N 1 2 348.451 1.258 20 30 EDEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC3CC3)C2)[nH]1 ZINC000329485011 444599354 /nfs/dbraw/zinc/59/93/54/444599354.db2.gz SNASBJOAUCBKLG-DGCLKSJQSA-N 1 2 348.451 1.258 20 30 EDEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC3CC3)C2)n1 ZINC000329485011 444599360 /nfs/dbraw/zinc/59/93/60/444599360.db2.gz SNASBJOAUCBKLG-DGCLKSJQSA-N 1 2 348.451 1.258 20 30 EDEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC3CC3)C2)n1 ZINC000329485011 444599364 /nfs/dbraw/zinc/59/93/64/444599364.db2.gz SNASBJOAUCBKLG-DGCLKSJQSA-N 1 2 348.451 1.258 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC3CC3)C2)n[nH]1 ZINC000329485011 444599367 /nfs/dbraw/zinc/59/93/67/444599367.db2.gz SNASBJOAUCBKLG-DGCLKSJQSA-N 1 2 348.451 1.258 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC3CC3)C2)n[nH]1 ZINC000329485011 444599371 /nfs/dbraw/zinc/59/93/71/444599371.db2.gz SNASBJOAUCBKLG-DGCLKSJQSA-N 1 2 348.451 1.258 20 30 EDEDLO CCC1(CC)[C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)[C@H](C)[C@@H]1OC ZINC000329626844 444654846 /nfs/dbraw/zinc/65/48/46/444654846.db2.gz UCORADLWENSZET-RBZJEDDUSA-N 1 2 339.480 1.755 20 30 EDEDLO CCC1(CC)[C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)[C@H](C)[C@@H]1OC ZINC000329626844 444654852 /nfs/dbraw/zinc/65/48/52/444654852.db2.gz UCORADLWENSZET-RBZJEDDUSA-N 1 2 339.480 1.755 20 30 EDEDLO Cc1nnc(CCNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)s1 ZINC000329634371 444658438 /nfs/dbraw/zinc/65/84/38/444658438.db2.gz XCRWARCLGRKQBE-DGCLKSJQSA-N 1 2 339.465 1.098 20 30 EDEDLO Cc1c([C@H]2OCC[C@@H]2[NH+]=C([O-])N[C@H]2CCc3[nH+]c[nH]c3C2)cnn1C ZINC000329751741 444702530 /nfs/dbraw/zinc/70/25/30/444702530.db2.gz VXGVDLUTOKYTAW-HZUKXOBISA-N 1 2 344.419 1.343 20 30 EDEDLO Cc1n[nH]cc1CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000329831682 444733455 /nfs/dbraw/zinc/73/34/55/444733455.db2.gz KPTLKYSTFUSURD-GFCCVEGCSA-N 1 2 334.424 1.257 20 30 EDEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329848673 444739486 /nfs/dbraw/zinc/73/94/86/444739486.db2.gz PQJYPTCTFDBNTM-KGLIPLIRSA-N 1 2 340.449 1.147 20 30 EDEDLO O=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329890347 444755093 /nfs/dbraw/zinc/75/50/93/444755093.db2.gz GDGVFTCNZQPENO-AWEZNQCLSA-N 1 2 345.447 1.794 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)NC(=O)CC4)C[C@H]21 ZINC000329914468 444765414 /nfs/dbraw/zinc/76/54/14/444765414.db2.gz CLHOAVXSZAWFQK-CABCVRRESA-N 1 2 330.388 1.781 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)NC(=O)CC4)C[C@H]21 ZINC000329914468 444765418 /nfs/dbraw/zinc/76/54/18/444765418.db2.gz CLHOAVXSZAWFQK-CABCVRRESA-N 1 2 330.388 1.781 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)cn1 ZINC000334065762 444768525 /nfs/dbraw/zinc/76/85/25/444768525.db2.gz CYDFMBXPGVXBJH-HOCLYGCPSA-N 1 2 330.436 1.330 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)c2csc(=O)[nH]2)cn1 ZINC000329988954 444800839 /nfs/dbraw/zinc/80/08/39/444800839.db2.gz URZRBUYUTAGZEU-QWRGUYRKSA-N 1 2 339.396 1.499 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)c2csc(=O)[nH]2)cn1 ZINC000329988954 444800843 /nfs/dbraw/zinc/80/08/43/444800843.db2.gz URZRBUYUTAGZEU-QWRGUYRKSA-N 1 2 339.396 1.499 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3CCC(NC(=O)C4CC4)CC3)C[C@H]21 ZINC000330010239 444809897 /nfs/dbraw/zinc/80/98/97/444809897.db2.gz HXENXFCZQJQFJJ-QDIHITRGSA-N 1 2 335.448 1.453 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3CCC(NC(=O)C4CC4)CC3)C[C@H]21 ZINC000330010239 444809900 /nfs/dbraw/zinc/80/99/00/444809900.db2.gz HXENXFCZQJQFJJ-QDIHITRGSA-N 1 2 335.448 1.453 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000341431376 444826662 /nfs/dbraw/zinc/82/66/62/444826662.db2.gz JXZYPLBOJPQDTK-ZDUSSCGKSA-N 1 2 342.399 1.326 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000341509418 444868615 /nfs/dbraw/zinc/86/86/15/444868615.db2.gz LLFZSRDMBIKQAO-ZACQAIPSSA-N 1 2 349.427 1.417 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000341509418 444868619 /nfs/dbraw/zinc/86/86/19/444868619.db2.gz LLFZSRDMBIKQAO-ZACQAIPSSA-N 1 2 349.427 1.417 20 30 EDEDLO C[C@H](C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)n1cnc(C#N)n1 ZINC000336998734 444893758 /nfs/dbraw/zinc/89/37/58/444893758.db2.gz QPVIHUQLTXFWQO-MFKMUULPSA-N 1 2 348.357 1.408 20 30 EDEDLO CCOC(=O)[C@H](Cc1ccccn1)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000342866125 444901735 /nfs/dbraw/zinc/90/17/35/444901735.db2.gz ZEYGPAHUXJAKHO-KRWDZBQOSA-N 1 2 349.394 1.865 20 30 EDEDLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000330348413 444946904 /nfs/dbraw/zinc/94/69/04/444946904.db2.gz IRFONOOEGYWECI-UWVGGRQHSA-N 1 2 349.420 1.147 20 30 EDEDLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000330348413 444946909 /nfs/dbraw/zinc/94/69/09/444946909.db2.gz IRFONOOEGYWECI-UWVGGRQHSA-N 1 2 349.420 1.147 20 30 EDEDLO O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330311106 444932423 /nfs/dbraw/zinc/93/24/23/444932423.db2.gz NRQWTYBAUABUIL-LBPRGKRZSA-N 1 2 345.403 1.614 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000337092492 444939556 /nfs/dbraw/zinc/93/95/56/444939556.db2.gz MIGYWFLWMAIBFT-AWEZNQCLSA-N 1 2 347.444 1.688 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCCc2ccccc2)C1=O ZINC000337229088 444995843 /nfs/dbraw/zinc/99/58/43/444995843.db2.gz RNIFOUIVHUPJFR-QGZVFWFLSA-N 1 2 329.444 1.454 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCCc2ccccc2)C1=O ZINC000337229088 444995845 /nfs/dbraw/zinc/99/58/45/444995845.db2.gz RNIFOUIVHUPJFR-QGZVFWFLSA-N 1 2 329.444 1.454 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000337368543 445051043 /nfs/dbraw/zinc/05/10/43/445051043.db2.gz QKYZITXEBGOXEE-HNNXBMFYSA-N 1 2 337.427 1.991 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000337368543 445051050 /nfs/dbraw/zinc/05/10/50/445051050.db2.gz QKYZITXEBGOXEE-HNNXBMFYSA-N 1 2 337.427 1.991 20 30 EDEDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000330607384 445058038 /nfs/dbraw/zinc/05/80/38/445058038.db2.gz LOVNSZVIHCXEHD-UHFFFAOYSA-N 1 2 339.436 1.943 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337432899 445077975 /nfs/dbraw/zinc/07/79/75/445077975.db2.gz GNIBCKFQHJHWLH-CQSZACIVSA-N 1 2 346.431 1.150 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337432899 445077979 /nfs/dbraw/zinc/07/79/79/445077979.db2.gz GNIBCKFQHJHWLH-CQSZACIVSA-N 1 2 346.431 1.150 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330655016 445081467 /nfs/dbraw/zinc/08/14/67/445081467.db2.gz MINKENKBVQXQDH-JTOWHCCKSA-N 1 2 335.448 1.847 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330655016 445081471 /nfs/dbraw/zinc/08/14/71/445081471.db2.gz MINKENKBVQXQDH-JTOWHCCKSA-N 1 2 335.448 1.847 20 30 EDEDLO Cc1cc(C)n([C@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000343063152 445036326 /nfs/dbraw/zinc/03/63/26/445036326.db2.gz GEABAXBAFRNNPQ-MRXNPFEDSA-N 1 2 333.436 1.135 20 30 EDEDLO CN(C)c1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)c[nH+]1 ZINC000339244085 445109781 /nfs/dbraw/zinc/10/97/81/445109781.db2.gz VSOGKPSMPVFEPI-UHFFFAOYSA-N 1 2 337.383 1.065 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000339856510 445175164 /nfs/dbraw/zinc/17/51/64/445175164.db2.gz PEGASEAPVNOQCT-AWEZNQCLSA-N 1 2 330.363 1.409 20 30 EDEDLO N#C[C@@H](CCc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343407847 445217003 /nfs/dbraw/zinc/21/70/03/445217003.db2.gz PLVIXWILUHJEMW-SJLPKXTDSA-N 1 2 327.428 1.738 20 30 EDEDLO N#C[C@@H](CCc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343407847 445217004 /nfs/dbraw/zinc/21/70/04/445217004.db2.gz PLVIXWILUHJEMW-SJLPKXTDSA-N 1 2 327.428 1.738 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1CC(=O)OC ZINC000347454395 445238872 /nfs/dbraw/zinc/23/88/72/445238872.db2.gz RMCKUKMMSIPCHR-DLBZAZTESA-N 1 2 349.427 1.419 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1CC(=O)OC ZINC000347454395 445238873 /nfs/dbraw/zinc/23/88/73/445238873.db2.gz RMCKUKMMSIPCHR-DLBZAZTESA-N 1 2 349.427 1.419 20 30 EDEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000347972070 445258982 /nfs/dbraw/zinc/25/89/82/445258982.db2.gz ZPTXYUMJBXAGNN-UHFFFAOYSA-N 1 2 349.456 1.457 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000348856996 445417394 /nfs/dbraw/zinc/41/73/94/445417394.db2.gz AIHJLGWQQXINPB-UHOSZYNNSA-N 1 2 332.444 1.844 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000348856996 445417396 /nfs/dbraw/zinc/41/73/96/445417396.db2.gz AIHJLGWQQXINPB-UHOSZYNNSA-N 1 2 332.444 1.844 20 30 EDEDLO CN(C(=O)C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000362534043 445427095 /nfs/dbraw/zinc/42/70/95/445427095.db2.gz GWSXSPNGZMOLMX-KRWDZBQOSA-N 1 2 328.416 1.465 20 30 EDEDLO CN(C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C)C(=O)CSCC#N ZINC000351928130 445381134 /nfs/dbraw/zinc/38/11/34/445381134.db2.gz GAWZCHKSDQFUKE-CHWSQXEVSA-N 1 2 339.440 1.048 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000352085142 445482518 /nfs/dbraw/zinc/48/25/18/445482518.db2.gz QSAKRZOAUYSVCW-UAGQMJEPSA-N 1 2 349.500 1.666 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000352085142 445482522 /nfs/dbraw/zinc/48/25/22/445482522.db2.gz QSAKRZOAUYSVCW-UAGQMJEPSA-N 1 2 349.500 1.666 20 30 EDEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000362585884 445451922 /nfs/dbraw/zinc/45/19/22/445451922.db2.gz FTSMWGMJRWPIEB-HKUYNNGSSA-N 1 2 346.427 1.425 20 30 EDEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000362585884 445451925 /nfs/dbraw/zinc/45/19/25/445451925.db2.gz FTSMWGMJRWPIEB-HKUYNNGSSA-N 1 2 346.427 1.425 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)no1 ZINC000349121566 445513631 /nfs/dbraw/zinc/51/36/31/445513631.db2.gz FIMUVWBTHHOHJY-HNNXBMFYSA-N 1 2 342.403 1.705 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)no1 ZINC000349121566 445513637 /nfs/dbraw/zinc/51/36/37/445513637.db2.gz FIMUVWBTHHOHJY-HNNXBMFYSA-N 1 2 342.403 1.705 20 30 EDEDLO N#Cc1cccc(CNC(=O)CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000349122718 445514524 /nfs/dbraw/zinc/51/45/24/445514524.db2.gz ZRAFDFONKKAACS-UHFFFAOYSA-N 1 2 338.411 1.585 20 30 EDEDLO C=CC[N@@H+](CC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000357554854 445565932 /nfs/dbraw/zinc/56/59/32/445565932.db2.gz QVCFVKFVPCIKMW-OAHLLOKOSA-N 1 2 328.478 1.453 20 30 EDEDLO C=CC[N@H+](CC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000357554854 445565936 /nfs/dbraw/zinc/56/59/36/445565936.db2.gz QVCFVKFVPCIKMW-OAHLLOKOSA-N 1 2 328.478 1.453 20 30 EDEDLO N#Cc1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)s1 ZINC000362967715 445630665 /nfs/dbraw/zinc/63/06/65/445630665.db2.gz SXGKKLTXUHNTKY-UHFFFAOYSA-N 1 2 328.397 1.781 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360290773 445679842 /nfs/dbraw/zinc/67/98/42/445679842.db2.gz HIGMYEBHJILMMG-WBVHZDCISA-N 1 2 328.416 1.465 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360290773 445679846 /nfs/dbraw/zinc/67/98/46/445679846.db2.gz HIGMYEBHJILMMG-WBVHZDCISA-N 1 2 328.416 1.465 20 30 EDEDLO C=CCOC[C@H](NC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(=O)OC ZINC000360724535 445726395 /nfs/dbraw/zinc/72/63/95/445726395.db2.gz CIUOCFQZXQHZAA-DOMZBBRYSA-N 1 2 349.431 1.498 20 30 EDEDLO C=CCOC[C@H](NC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(=O)OC ZINC000360724535 445726396 /nfs/dbraw/zinc/72/63/96/445726396.db2.gz CIUOCFQZXQHZAA-DOMZBBRYSA-N 1 2 349.431 1.498 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cnn(C)c1C#N)c1ccccc1F ZINC000353827716 445773313 /nfs/dbraw/zinc/77/33/13/445773313.db2.gz PICIDQBYXIWVPT-OAHLLOKOSA-N 1 2 338.346 1.684 20 30 EDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000356328358 445737529 /nfs/dbraw/zinc/73/75/29/445737529.db2.gz HSXKPHDWMNIEKD-QGZVFWFLSA-N 1 2 345.443 1.253 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361560322 445820043 /nfs/dbraw/zinc/82/00/43/445820043.db2.gz CPKKOJRXFWNYRK-GFCCVEGCSA-N 1 2 329.400 1.640 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361560322 445820047 /nfs/dbraw/zinc/82/00/47/445820047.db2.gz CPKKOJRXFWNYRK-GFCCVEGCSA-N 1 2 329.400 1.640 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356461509 445803096 /nfs/dbraw/zinc/80/30/96/445803096.db2.gz STZYBIOXTPCIEN-ZDUSSCGKSA-N 1 2 338.415 1.873 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356461509 445803101 /nfs/dbraw/zinc/80/31/01/445803101.db2.gz STZYBIOXTPCIEN-ZDUSSCGKSA-N 1 2 338.415 1.873 20 30 EDEDLO CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000363570724 445858628 /nfs/dbraw/zinc/85/86/28/445858628.db2.gz AKMKWNWVOFRHSB-UHFFFAOYSA-N 1 2 348.491 1.909 20 30 EDEDLO CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000363570724 445858632 /nfs/dbraw/zinc/85/86/32/445858632.db2.gz AKMKWNWVOFRHSB-UHFFFAOYSA-N 1 2 348.491 1.909 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000364900252 445966998 /nfs/dbraw/zinc/96/69/98/445966998.db2.gz JFLSEYFRLLHTJN-CYBMUJFWSA-N 1 2 347.433 1.235 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000366220918 446089939 /nfs/dbraw/zinc/08/99/39/446089939.db2.gz GRXMXDBVBGYUPJ-IRXDYDNUSA-N 1 2 349.456 1.480 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000369405519 446117067 /nfs/dbraw/zinc/11/70/67/446117067.db2.gz BOBXTFNVHLGZCH-OAFZBRQQSA-N 1 2 349.475 1.986 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000369405519 446117073 /nfs/dbraw/zinc/11/70/73/446117073.db2.gz BOBXTFNVHLGZCH-OAFZBRQQSA-N 1 2 349.475 1.986 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000369405518 446117387 /nfs/dbraw/zinc/11/73/87/446117387.db2.gz BOBXTFNVHLGZCH-NNFUDEMPSA-N 1 2 349.475 1.986 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000369405518 446117394 /nfs/dbraw/zinc/11/73/94/446117394.db2.gz BOBXTFNVHLGZCH-NNFUDEMPSA-N 1 2 349.475 1.986 20 30 EDEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000351621572 446217002 /nfs/dbraw/zinc/21/70/02/446217002.db2.gz TWECZLYMNMSPNH-CABCVRRESA-N 1 2 345.422 1.750 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C#N)nc2)nc[nH+]1 ZINC000362277154 446300525 /nfs/dbraw/zinc/30/05/25/446300525.db2.gz FGQFSVOFFGILGH-CQSZACIVSA-N 1 2 337.387 1.184 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C#N)nc2)[nH+]cn1 ZINC000362277154 446300527 /nfs/dbraw/zinc/30/05/27/446300527.db2.gz FGQFSVOFFGILGH-CQSZACIVSA-N 1 2 337.387 1.184 20 30 EDEDLO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1O ZINC000370610119 446357344 /nfs/dbraw/zinc/35/73/44/446357344.db2.gz IUVYOGSXWYWMGJ-HZPDHXFCSA-N 1 2 345.378 1.460 20 30 EDEDLO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1O ZINC000370610119 446357347 /nfs/dbraw/zinc/35/73/47/446357347.db2.gz IUVYOGSXWYWMGJ-HZPDHXFCSA-N 1 2 345.378 1.460 20 30 EDEDLO C#CCCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000376244834 446397998 /nfs/dbraw/zinc/39/79/98/446397998.db2.gz WRVRMEBVLKQYHX-MRXNPFEDSA-N 1 2 347.440 1.851 20 30 EDEDLO CCN1CCN(C(=O)COc2ccccc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000433116639 446533317 /nfs/dbraw/zinc/53/33/17/446533317.db2.gz RZLCEZSISLAWIO-HNNXBMFYSA-N 1 2 339.399 1.566 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)CNc2cccc(C#N)c2)C1 ZINC000434672948 446659017 /nfs/dbraw/zinc/65/90/17/446659017.db2.gz OLJDGWHXSPYZIA-SFHVURJKSA-N 1 2 342.443 1.539 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)CNc2cccc(C#N)c2)C1 ZINC000434672948 446659024 /nfs/dbraw/zinc/65/90/24/446659024.db2.gz OLJDGWHXSPYZIA-SFHVURJKSA-N 1 2 342.443 1.539 20 30 EDEDLO Cc1cn2cc(NC(=O)C(=O)N(C[C@@H](C)C#N)C3CC3)ccc2[nH+]1 ZINC000441916521 446881746 /nfs/dbraw/zinc/88/17/46/446881746.db2.gz SEJMZOCCZMLWDU-NSHDSACASA-N 1 2 325.372 1.732 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CC[NH+](C(COC)COC)CC2)cc1 ZINC000412435058 446954850 /nfs/dbraw/zinc/95/48/50/446954850.db2.gz KNJOZSICXLYQPL-UHFFFAOYSA-N 1 2 348.443 1.671 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CCn2cc[nH+]c2-c2ccncc2)nc1 ZINC000377450088 447139404 /nfs/dbraw/zinc/13/94/04/447139404.db2.gz SCGWEHVYJFPYCT-UHFFFAOYSA-N 1 2 339.380 1.686 20 30 EDEDLO CCc1nc([C@@H]2CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C2)no1 ZINC000377495185 447164622 /nfs/dbraw/zinc/16/46/22/447164622.db2.gz JTQQNQWLCQACKJ-UONOGXRCSA-N 1 2 333.436 1.820 20 30 EDEDLO CCc1nc([C@@H]2CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C2)no1 ZINC000377495185 447164628 /nfs/dbraw/zinc/16/46/28/447164628.db2.gz JTQQNQWLCQACKJ-UONOGXRCSA-N 1 2 333.436 1.820 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](n3cccn3)C2)nc1 ZINC000377559136 447204839 /nfs/dbraw/zinc/20/48/39/447204839.db2.gz CMTOUQRPIGEKOL-HNNXBMFYSA-N 1 2 345.428 1.261 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](n3cccn3)C2)nc1 ZINC000377559136 447204842 /nfs/dbraw/zinc/20/48/42/447204842.db2.gz CMTOUQRPIGEKOL-HNNXBMFYSA-N 1 2 345.428 1.261 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2Cc3ccccc3C[C@@H]2C(=O)NCC)C1=O ZINC000425542946 447221139 /nfs/dbraw/zinc/22/11/39/447221139.db2.gz RGSAFQTWEBASMT-DLBZAZTESA-N 1 2 327.428 1.336 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NCC)C1=O ZINC000425542946 447221147 /nfs/dbraw/zinc/22/11/47/447221147.db2.gz RGSAFQTWEBASMT-DLBZAZTESA-N 1 2 327.428 1.336 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000413952264 447266478 /nfs/dbraw/zinc/26/64/78/447266478.db2.gz DIVXRVIQWUPRDY-UHFFFAOYSA-N 1 2 330.432 1.465 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000414107148 447274526 /nfs/dbraw/zinc/27/45/26/447274526.db2.gz JPHQPHJNDFDWHM-YOEHRIQHSA-N 1 2 336.436 1.084 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000414107148 447274534 /nfs/dbraw/zinc/27/45/34/447274534.db2.gz JPHQPHJNDFDWHM-YOEHRIQHSA-N 1 2 336.436 1.084 20 30 EDEDLO CCN(CC)C(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414154732 447277878 /nfs/dbraw/zinc/27/78/78/447277878.db2.gz UEQFKFNJRRDFLS-INIZCTEOSA-N 1 2 333.432 1.754 20 30 EDEDLO CCN(CC)C(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414154732 447277883 /nfs/dbraw/zinc/27/78/83/447277883.db2.gz UEQFKFNJRRDFLS-INIZCTEOSA-N 1 2 333.432 1.754 20 30 EDEDLO CNC(=O)CO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000495342630 447488223 /nfs/dbraw/zinc/48/82/23/447488223.db2.gz NKQQWBBLQGCQDX-UHFFFAOYSA-N 1 2 336.392 1.094 20 30 EDEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422476021 447581812 /nfs/dbraw/zinc/58/18/12/447581812.db2.gz JTDSSYUQHVJMRN-UHFFFAOYSA-N 1 2 340.427 1.684 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000416367921 447583309 /nfs/dbraw/zinc/58/33/09/447583309.db2.gz GDAXNQDUJNPXTD-QMMMGPOBSA-N 1 2 343.206 1.428 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1Cl ZINC000427036979 447532571 /nfs/dbraw/zinc/53/25/71/447532571.db2.gz SUPQSAPYXWRHBY-LBPRGKRZSA-N 1 2 343.774 1.478 20 30 EDEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000495647995 447541912 /nfs/dbraw/zinc/54/19/12/447541912.db2.gz WNODLIGMUZYZSG-SFHVURJKSA-N 1 2 346.431 1.914 20 30 EDEDLO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000495647995 447541920 /nfs/dbraw/zinc/54/19/20/447541920.db2.gz WNODLIGMUZYZSG-SFHVURJKSA-N 1 2 346.431 1.914 20 30 EDEDLO C=CCC[C@H](CO)NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000457670302 447614809 /nfs/dbraw/zinc/61/48/09/447614809.db2.gz XLHBJYJEUSLUJL-GDBMZVCRSA-N 1 2 348.447 1.433 20 30 EDEDLO COC(=O)c1cccc2c1CC[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000459538640 447699642 /nfs/dbraw/zinc/69/96/42/447699642.db2.gz BIFGSUOJSRJYMC-ZDUSSCGKSA-N 1 2 341.411 1.782 20 30 EDEDLO COC(=O)c1cccc2c1CC[N@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000459538640 447699645 /nfs/dbraw/zinc/69/96/45/447699645.db2.gz BIFGSUOJSRJYMC-ZDUSSCGKSA-N 1 2 341.411 1.782 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000416583513 447654946 /nfs/dbraw/zinc/65/49/46/447654946.db2.gz CEUVGQAMMXSEMW-OAHLLOKOSA-N 1 2 333.457 1.826 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000416583513 447654950 /nfs/dbraw/zinc/65/49/50/447654950.db2.gz CEUVGQAMMXSEMW-OAHLLOKOSA-N 1 2 333.457 1.826 20 30 EDEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495960619 447676762 /nfs/dbraw/zinc/67/67/62/447676762.db2.gz MXVAIHKPCYZGGR-ZDUSSCGKSA-N 1 2 347.481 1.033 20 30 EDEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495960619 447676767 /nfs/dbraw/zinc/67/67/67/447676767.db2.gz MXVAIHKPCYZGGR-ZDUSSCGKSA-N 1 2 347.481 1.033 20 30 EDEDLO C=CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000495959563 447676839 /nfs/dbraw/zinc/67/68/39/447676839.db2.gz IQZCIDAWIFSGMK-AWEZNQCLSA-N 1 2 346.493 1.919 20 30 EDEDLO C=CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000495959563 447676843 /nfs/dbraw/zinc/67/68/43/447676843.db2.gz IQZCIDAWIFSGMK-AWEZNQCLSA-N 1 2 346.493 1.919 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000459818321 447763604 /nfs/dbraw/zinc/76/36/04/447763604.db2.gz PRIFUQKUYOIPFY-UHFFFAOYSA-N 1 2 333.457 1.593 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000460064573 447793701 /nfs/dbraw/zinc/79/37/01/447793701.db2.gz NDTALEVEBMDNNQ-UHFFFAOYSA-N 1 2 349.394 1.312 20 30 EDEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)N(CCC)CCC)CC1 ZINC000488208529 447843550 /nfs/dbraw/zinc/84/35/50/447843550.db2.gz DSUKQSSNYHBMMR-INIZCTEOSA-N 1 2 347.525 1.298 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000530335375 447862741 /nfs/dbraw/zinc/86/27/41/447862741.db2.gz MRJHRDBRHDEEKE-HNNXBMFYSA-N 1 2 327.432 1.150 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)C(C)C ZINC000490997500 447913761 /nfs/dbraw/zinc/91/37/61/447913761.db2.gz SYCDVBPBYAIIKA-SJORKVTESA-N 1 2 348.491 1.372 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)OCCCS(=O)(=O)c2ccccc2)CC1 ZINC000490893949 447906017 /nfs/dbraw/zinc/90/60/17/447906017.db2.gz YGYIJZSDKLMGFY-UHFFFAOYSA-N 1 2 349.452 1.739 20 30 EDEDLO C#CCN(CC#N)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000491021683 447917658 /nfs/dbraw/zinc/91/76/58/447917658.db2.gz NAKFPWRXJBHYKF-UHFFFAOYSA-N 1 2 335.367 1.511 20 30 EDEDLO N#CCCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000575944814 447934856 /nfs/dbraw/zinc/93/48/56/447934856.db2.gz VENPJTDMMFKETB-UHFFFAOYSA-N 1 2 348.366 1.610 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(CCC)CC(=O)Nc1ccccc1OC ZINC000491253058 447973572 /nfs/dbraw/zinc/97/35/72/447973572.db2.gz LNXIFUVSUNKPKS-HNNXBMFYSA-N 1 2 345.443 1.826 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(CCC)CC(=O)Nc1ccccc1OC ZINC000491253058 447973577 /nfs/dbraw/zinc/97/35/77/447973577.db2.gz LNXIFUVSUNKPKS-HNNXBMFYSA-N 1 2 345.443 1.826 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C(C)(C)C ZINC000491496836 448045182 /nfs/dbraw/zinc/04/51/82/448045182.db2.gz UBSZCFZQGRZRPG-HOTGVXAUSA-N 1 2 348.491 1.372 20 30 EDEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ncncc3C#N)CC2)n1 ZINC000576275010 448016387 /nfs/dbraw/zinc/01/63/87/448016387.db2.gz IAWVMCGUVZLEKR-GFCCVEGCSA-N 1 2 343.391 1.151 20 30 EDEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ncncc3C#N)CC2)n1 ZINC000576275010 448016388 /nfs/dbraw/zinc/01/63/88/448016388.db2.gz IAWVMCGUVZLEKR-GFCCVEGCSA-N 1 2 343.391 1.151 20 30 EDEDLO C#CC[C@@H](C)NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496968905 448081561 /nfs/dbraw/zinc/08/15/61/448081561.db2.gz OLWOZWVZXJZWNR-KGLIPLIRSA-N 1 2 338.452 1.249 20 30 EDEDLO C#CC[C@@H](C)NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496968905 448081567 /nfs/dbraw/zinc/08/15/67/448081567.db2.gz OLWOZWVZXJZWNR-KGLIPLIRSA-N 1 2 338.452 1.249 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000583259724 448427926 /nfs/dbraw/zinc/42/79/26/448427926.db2.gz NAVIRVIWSFNOQN-HOCLYGCPSA-N 1 2 346.431 1.939 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000534298419 448442879 /nfs/dbraw/zinc/44/28/79/448442879.db2.gz IAPZFCSBAGISNQ-DOTOQJQBSA-N 1 2 340.427 1.628 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000534298419 448442880 /nfs/dbraw/zinc/44/28/80/448442880.db2.gz IAPZFCSBAGISNQ-DOTOQJQBSA-N 1 2 340.427 1.628 20 30 EDEDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@](O)(CC#N)C2)c[nH+]1 ZINC000591906641 448561496 /nfs/dbraw/zinc/56/14/96/448561496.db2.gz WFICUCQPETUBJD-QGZVFWFLSA-N 1 2 331.420 1.488 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130144 448699685 /nfs/dbraw/zinc/69/96/85/448699685.db2.gz TWELRMAJNRPAKS-KGLIPLIRSA-N 1 2 340.418 1.743 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130144 448699691 /nfs/dbraw/zinc/69/96/91/448699691.db2.gz TWELRMAJNRPAKS-KGLIPLIRSA-N 1 2 340.418 1.743 20 30 EDEDLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592144566 448705208 /nfs/dbraw/zinc/70/52/08/448705208.db2.gz AACYJYTYTGSGAM-MRXNPFEDSA-N 1 2 339.798 1.788 20 30 EDEDLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592144566 448705212 /nfs/dbraw/zinc/70/52/12/448705212.db2.gz AACYJYTYTGSGAM-MRXNPFEDSA-N 1 2 339.798 1.788 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCCCSc2ccccc2)C1 ZINC000592147049 448707533 /nfs/dbraw/zinc/70/75/33/448707533.db2.gz HSWXFAHZDBCTIE-KRWDZBQOSA-N 1 2 333.457 1.635 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCCCSc2ccccc2)C1 ZINC000592147049 448707541 /nfs/dbraw/zinc/70/75/41/448707541.db2.gz HSWXFAHZDBCTIE-KRWDZBQOSA-N 1 2 333.457 1.635 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148541 448708499 /nfs/dbraw/zinc/70/84/99/448708499.db2.gz WMAJDUUUCYINKO-BZNIZROVSA-N 1 2 339.342 1.965 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148541 448708503 /nfs/dbraw/zinc/70/85/03/448708503.db2.gz WMAJDUUUCYINKO-BZNIZROVSA-N 1 2 339.342 1.965 20 30 EDEDLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149122 448709279 /nfs/dbraw/zinc/70/92/79/448709279.db2.gz JEFREVRGPGFXAL-BDJLRTHQSA-N 1 2 334.351 1.213 20 30 EDEDLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149122 448709283 /nfs/dbraw/zinc/70/92/83/448709283.db2.gz JEFREVRGPGFXAL-BDJLRTHQSA-N 1 2 334.351 1.213 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CNCc1nc(-c2cccc(F)c2)no1 ZINC000573913308 448743696 /nfs/dbraw/zinc/74/36/96/448743696.db2.gz CRTNOICHWGDZGP-AWEZNQCLSA-N 1 2 333.367 1.172 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNCc1nc(-c2cccc(F)c2)no1 ZINC000573913308 448743700 /nfs/dbraw/zinc/74/37/00/448743700.db2.gz CRTNOICHWGDZGP-AWEZNQCLSA-N 1 2 333.367 1.172 20 30 EDEDLO C[C@@H](NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1 ZINC000587704549 448842591 /nfs/dbraw/zinc/84/25/91/448842591.db2.gz OYRUXWDCQYOCMT-CYBMUJFWSA-N 1 2 326.400 1.042 20 30 EDEDLO CS(=O)(=O)CC1(C[NH+]2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000579687125 448851173 /nfs/dbraw/zinc/85/11/73/448851173.db2.gz PRGGKWOAVFARIX-UHFFFAOYSA-N 1 2 333.457 1.764 20 30 EDEDLO Cc1c(CC(=O)N[C@](C)(C#N)C[NH+](C)C)nnn1-c1ccccc1 ZINC000574694656 448935427 /nfs/dbraw/zinc/93/54/27/448935427.db2.gz PXGHZZAOAXBYAU-QGZVFWFLSA-N 1 2 326.404 1.078 20 30 EDEDLO N#CC1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000521147351 448957375 /nfs/dbraw/zinc/95/73/75/448957375.db2.gz NFIZBXNLEFPNMF-INIZCTEOSA-N 1 2 328.416 1.490 20 30 EDEDLO N#CC1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000521147351 448957381 /nfs/dbraw/zinc/95/73/81/448957381.db2.gz NFIZBXNLEFPNMF-INIZCTEOSA-N 1 2 328.416 1.490 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC000581014959 448963192 /nfs/dbraw/zinc/96/31/92/448963192.db2.gz RPIWUCXIBQZHEU-CRAIPNDOSA-N 1 2 331.416 1.357 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CNCc1nc(-c2cccc(Cl)c2)no1 ZINC000581066625 448964881 /nfs/dbraw/zinc/96/48/81/448964881.db2.gz FXCBDZAMBJAGKT-AWEZNQCLSA-N 1 2 349.822 1.686 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNCc1nc(-c2cccc(Cl)c2)no1 ZINC000581066625 448964887 /nfs/dbraw/zinc/96/48/87/448964887.db2.gz FXCBDZAMBJAGKT-AWEZNQCLSA-N 1 2 349.822 1.686 20 30 EDEDLO CC(C)CN1C[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3(C#N)CCC3)CCN2C1=O ZINC000574893207 448983312 /nfs/dbraw/zinc/98/33/12/448983312.db2.gz HZUWMBDZMOELFG-CABCVRRESA-N 1 2 347.463 1.015 20 30 EDEDLO CC(C)CN1C[C@@H]2C[N@H+]([C@H](C)C(=O)NC3(C#N)CCC3)CCN2C1=O ZINC000574893207 448983317 /nfs/dbraw/zinc/98/33/17/448983317.db2.gz HZUWMBDZMOELFG-CABCVRRESA-N 1 2 347.463 1.015 20 30 EDEDLO N#CCC1(CS(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000580278303 448943621 /nfs/dbraw/zinc/94/36/21/448943621.db2.gz NQLAHDWHUZPAHJ-CABCVRRESA-N 1 2 341.477 1.243 20 30 EDEDLO N#Cc1cnccc1N1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000548153948 448994229 /nfs/dbraw/zinc/99/42/29/448994229.db2.gz OGFAWUCXCFOPJF-UHFFFAOYSA-N 1 2 347.422 1.665 20 30 EDEDLO Cc1ncc(S(=O)(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1C#N ZINC000589903468 449076610 /nfs/dbraw/zinc/07/66/10/449076610.db2.gz SRHWKVFKGWXPRP-QGZVFWFLSA-N 1 2 342.424 1.727 20 30 EDEDLO Cc1ncc(S(=O)(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1C#N ZINC000589903468 449076613 /nfs/dbraw/zinc/07/66/13/449076613.db2.gz SRHWKVFKGWXPRP-QGZVFWFLSA-N 1 2 342.424 1.727 20 30 EDEDLO C[NH+]1CCC(C#N)(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000522232310 449065622 /nfs/dbraw/zinc/06/56/22/449065622.db2.gz YSYZRGYMGAIHMU-UHFFFAOYSA-N 1 2 337.383 1.159 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1 ZINC000590238000 449119033 /nfs/dbraw/zinc/11/90/33/449119033.db2.gz SFODHIHJNUMXGY-OAHLLOKOSA-N 1 2 335.367 1.195 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1 ZINC000590238000 449119038 /nfs/dbraw/zinc/11/90/38/449119038.db2.gz SFODHIHJNUMXGY-OAHLLOKOSA-N 1 2 335.367 1.195 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000597944061 449153164 /nfs/dbraw/zinc/15/31/64/449153164.db2.gz SYROWCBGUVAPKA-LBPRGKRZSA-N 1 2 329.429 1.870 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000597944061 449153168 /nfs/dbraw/zinc/15/31/68/449153168.db2.gz SYROWCBGUVAPKA-LBPRGKRZSA-N 1 2 329.429 1.870 20 30 EDEDLO N#Cc1cccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1 ZINC000597931748 449147010 /nfs/dbraw/zinc/14/70/10/449147010.db2.gz VZFPGIFDIXMVCY-MOPGFXCFSA-N 1 2 348.406 1.679 20 30 EDEDLO N#Cc1cccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1 ZINC000597931748 449147014 /nfs/dbraw/zinc/14/70/14/449147014.db2.gz VZFPGIFDIXMVCY-MOPGFXCFSA-N 1 2 348.406 1.679 20 30 EDEDLO C[C@]1(C#N)CC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000595837787 449199501 /nfs/dbraw/zinc/19/95/01/449199501.db2.gz MLRRXIIKAHQOPM-SJLPKXTDSA-N 1 2 331.391 1.961 20 30 EDEDLO C[C@]1(C#N)CC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000595837787 449199508 /nfs/dbraw/zinc/19/95/08/449199508.db2.gz MLRRXIIKAHQOPM-SJLPKXTDSA-N 1 2 331.391 1.961 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[NH+]2CCN(CCC#N)CC2)c(C)c1 ZINC000611175116 449200856 /nfs/dbraw/zinc/20/08/56/449200856.db2.gz UECJKCABHPFPQV-UHFFFAOYSA-N 1 2 343.431 1.483 20 30 EDEDLO C[C@@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1[nH+]ccn1C ZINC000595845441 449201947 /nfs/dbraw/zinc/20/19/47/449201947.db2.gz OALRRKQDNRZGEX-TZMCWYRMSA-N 1 2 340.387 1.611 20 30 EDEDLO C[C@@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1[nH+]ccn1C ZINC000595843392 449202390 /nfs/dbraw/zinc/20/23/90/449202390.db2.gz ARNXKIQSJFUVTJ-CYBMUJFWSA-N 1 2 339.403 1.280 20 30 EDEDLO N#Cc1cc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)ccn1 ZINC000601853715 449184556 /nfs/dbraw/zinc/18/45/56/449184556.db2.gz CZNVZNRCFOLRPB-UHFFFAOYSA-N 1 2 339.424 1.831 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccon3)CC2)nc1 ZINC000595828814 449192290 /nfs/dbraw/zinc/19/22/90/449192290.db2.gz NBHAFUCPTQWEQA-UHFFFAOYSA-N 1 2 346.412 1.595 20 30 EDEDLO CCCCNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000611235328 449230686 /nfs/dbraw/zinc/23/06/86/449230686.db2.gz SXBFNJBFJKPILH-UHFFFAOYSA-N 1 2 344.459 1.601 20 30 EDEDLO CCCCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000611235328 449230688 /nfs/dbraw/zinc/23/06/88/449230688.db2.gz SXBFNJBFJKPILH-UHFFFAOYSA-N 1 2 344.459 1.601 20 30 EDEDLO CC(C)C(=O)N1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000604468360 449234174 /nfs/dbraw/zinc/23/41/74/449234174.db2.gz QLKONBQXKWFBLN-KRWDZBQOSA-N 1 2 345.443 1.293 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595901869 449242114 /nfs/dbraw/zinc/24/21/14/449242114.db2.gz BFPVLBUOOKBJLV-GOSISDBHSA-N 1 2 328.416 1.198 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595901869 449242119 /nfs/dbraw/zinc/24/21/19/449242119.db2.gz BFPVLBUOOKBJLV-GOSISDBHSA-N 1 2 328.416 1.198 20 30 EDEDLO CCc1nc(C#N)cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)n1 ZINC000596063476 449343169 /nfs/dbraw/zinc/34/31/69/449343169.db2.gz MGUQVEGAVHBXNZ-KRWDZBQOSA-N 1 2 337.427 2.396 20 30 EDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(n2cnc(C(=O)OCC)c2N)CC1 ZINC000590957505 449359062 /nfs/dbraw/zinc/35/90/62/449359062.db2.gz CDHJDYNUTHFBGS-GFCCVEGCSA-N 1 2 336.392 1.007 20 30 EDEDLO N#Cc1sccc1S(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000593530207 449328051 /nfs/dbraw/zinc/32/80/51/449328051.db2.gz WFKRNZBNTWYEOH-UHFFFAOYSA-N 1 2 347.465 1.956 20 30 EDEDLO N#Cc1sccc1S(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000593530207 449328059 /nfs/dbraw/zinc/32/80/59/449328059.db2.gz WFKRNZBNTWYEOH-UHFFFAOYSA-N 1 2 347.465 1.956 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1O ZINC000602197419 449425481 /nfs/dbraw/zinc/42/54/81/449425481.db2.gz DRBBYZGBEJQAAG-UHFFFAOYSA-N 1 2 336.395 1.659 20 30 EDEDLO N#Cc1cc(O)cc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000602199757 449427902 /nfs/dbraw/zinc/42/79/02/449427902.db2.gz RBUKEEMFCAMODO-UHFFFAOYSA-N 1 2 336.395 1.659 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)n1C ZINC000602433424 449582296 /nfs/dbraw/zinc/58/22/96/449582296.db2.gz MUNUVDODHGNUKR-UHFFFAOYSA-N 1 2 339.399 1.401 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnc4n3CCC4)CC2)cc1 ZINC000596657289 449589067 /nfs/dbraw/zinc/58/90/67/449589067.db2.gz NZZMSBGPQIJFOT-UHFFFAOYSA-N 1 2 335.411 1.659 20 30 EDEDLO COCCc1ncc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000602442206 449590662 /nfs/dbraw/zinc/59/06/62/449590662.db2.gz UUNXKGPRLMPLIM-UHFFFAOYSA-N 1 2 343.456 1.921 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000601024341 449659267 /nfs/dbraw/zinc/65/92/67/449659267.db2.gz XCWKDJWMMLOMRR-DLBZAZTESA-N 1 2 335.448 1.124 20 30 EDEDLO CC[C@H](C#N)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000601028718 449661990 /nfs/dbraw/zinc/66/19/90/449661990.db2.gz VBKXDFIBMFUBAW-CQSZACIVSA-N 1 2 334.395 1.602 20 30 EDEDLO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000598949736 449666289 /nfs/dbraw/zinc/66/62/89/449666289.db2.gz NHWPBGAMLDYCNM-GOEBONIOSA-N 1 2 343.427 1.901 20 30 EDEDLO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000598949736 449666294 /nfs/dbraw/zinc/66/62/94/449666294.db2.gz NHWPBGAMLDYCNM-GOEBONIOSA-N 1 2 343.427 1.901 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000596782751 449648832 /nfs/dbraw/zinc/64/88/32/449648832.db2.gz BPSJCKFDNOKAMN-UHFFFAOYSA-N 1 2 334.464 1.521 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000596782751 449648839 /nfs/dbraw/zinc/64/88/39/449648839.db2.gz BPSJCKFDNOKAMN-UHFFFAOYSA-N 1 2 334.464 1.521 20 30 EDEDLO C[C@H](C#N)CNC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000601140893 449711911 /nfs/dbraw/zinc/71/19/11/449711911.db2.gz CYONBPCVBHATME-CYBMUJFWSA-N 1 2 334.395 1.459 20 30 EDEDLO C[N@@H+]1CCOC[C@H]1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000599161827 449770882 /nfs/dbraw/zinc/77/08/82/449770882.db2.gz WNTAALCNGGQMHS-CYBMUJFWSA-N 1 2 327.344 1.757 20 30 EDEDLO C[N@H+]1CCOC[C@H]1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000599161827 449770885 /nfs/dbraw/zinc/77/08/85/449770885.db2.gz WNTAALCNGGQMHS-CYBMUJFWSA-N 1 2 327.344 1.757 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000601310867 449820211 /nfs/dbraw/zinc/82/02/11/449820211.db2.gz VMXFHQPXAZEIFT-UHFFFAOYSA-N 1 2 337.420 1.722 20 30 EDEDLO COCCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000617773217 449836168 /nfs/dbraw/zinc/83/61/68/449836168.db2.gz NIHVKAKUDJMRIC-OAHLLOKOSA-N 1 2 335.429 1.640 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cc(C3CC3)no2)c1=O ZINC000594897699 449800351 /nfs/dbraw/zinc/80/03/51/449800351.db2.gz UDJWKGAOSJIZPU-UHFFFAOYSA-N 1 2 340.383 1.466 20 30 EDEDLO N#CCc1ccccc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000601344466 449853666 /nfs/dbraw/zinc/85/36/66/449853666.db2.gz ZKEZJXFMXCXGIF-UHFFFAOYSA-N 1 2 325.459 1.080 20 30 EDEDLO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856564 449863694 /nfs/dbraw/zinc/86/36/94/449863694.db2.gz KVLCNDUEQHQXSC-QLFBSQMISA-N 1 2 330.432 1.940 20 30 EDEDLO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856564 449863699 /nfs/dbraw/zinc/86/36/99/449863699.db2.gz KVLCNDUEQHQXSC-QLFBSQMISA-N 1 2 330.432 1.940 20 30 EDEDLO Cc1csc2nc(C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)cc(=O)n12 ZINC000602860902 449869111 /nfs/dbraw/zinc/86/91/11/449869111.db2.gz JSHUHXXGTIQNFG-TXEJJXNPSA-N 1 2 331.445 1.483 20 30 EDEDLO Cc1csc2nc(C[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)cc(=O)n12 ZINC000602860902 449869117 /nfs/dbraw/zinc/86/91/17/449869117.db2.gz JSHUHXXGTIQNFG-TXEJJXNPSA-N 1 2 331.445 1.483 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3nc[nH]n3)CC2)c(Br)c1 ZINC000602867769 449878392 /nfs/dbraw/zinc/87/83/92/449878392.db2.gz DQVOOSOVJWJVQV-UHFFFAOYSA-N 1 2 347.220 1.761 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000595124842 449885103 /nfs/dbraw/zinc/88/51/03/449885103.db2.gz FYSVXBGLHWCDFK-ZIAGYGMSSA-N 1 2 344.415 1.031 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000595124842 449885108 /nfs/dbraw/zinc/88/51/08/449885108.db2.gz FYSVXBGLHWCDFK-ZIAGYGMSSA-N 1 2 344.415 1.031 20 30 EDEDLO Cn1cc(CC[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)nn1 ZINC000599384946 449934412 /nfs/dbraw/zinc/93/44/12/449934412.db2.gz DJLFXBUIOOVSEH-UHFFFAOYSA-N 1 2 330.823 1.705 20 30 EDEDLO C=CCCOCC(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000615099134 449957014 /nfs/dbraw/zinc/95/70/14/449957014.db2.gz VWOJKHSJZMKISB-HNNXBMFYSA-N 1 2 328.478 1.245 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000601444775 449967595 /nfs/dbraw/zinc/96/75/95/449967595.db2.gz XTUQANWFXFPSFX-NVXWUHKLSA-N 1 2 349.456 1.186 20 30 EDEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000601444775 449967598 /nfs/dbraw/zinc/96/75/98/449967598.db2.gz XTUQANWFXFPSFX-NVXWUHKLSA-N 1 2 349.456 1.186 20 30 EDEDLO N#CCN1CCC(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000609337012 450012204 /nfs/dbraw/zinc/01/22/04/450012204.db2.gz SJZHUWFXFMRSII-UHFFFAOYSA-N 1 2 347.488 1.563 20 30 EDEDLO CCN1OC[C@@H]([NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O ZINC000595367136 450080279 /nfs/dbraw/zinc/08/02/79/450080279.db2.gz NZKIEGUAFIVQDE-MRXNPFEDSA-N 1 2 342.399 1.371 20 30 EDEDLO N#Cc1cc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)ccn1 ZINC000603137452 450087443 /nfs/dbraw/zinc/08/74/43/450087443.db2.gz HGWLBIQVXHUHHJ-INIZCTEOSA-N 1 2 347.444 1.283 20 30 EDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000599612641 450103755 /nfs/dbraw/zinc/10/37/55/450103755.db2.gz CCLADXYSSAKVDV-OAHLLOKOSA-N 1 2 349.431 1.946 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000595391768 450105273 /nfs/dbraw/zinc/10/52/73/450105273.db2.gz APDLCCBMUJAQFD-HNNXBMFYSA-N 1 2 342.424 1.506 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000595391768 450105277 /nfs/dbraw/zinc/10/52/77/450105277.db2.gz APDLCCBMUJAQFD-HNNXBMFYSA-N 1 2 342.424 1.506 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)c1C#N ZINC000615468718 450107349 /nfs/dbraw/zinc/10/73/49/450107349.db2.gz SHKZWOAAPJPBAB-KBPBESRZSA-N 1 2 328.416 1.616 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C[C@H](C)O)[C@@H](C)CO)c1C#N ZINC000615468718 450107358 /nfs/dbraw/zinc/10/73/58/450107358.db2.gz SHKZWOAAPJPBAB-KBPBESRZSA-N 1 2 328.416 1.616 20 30 EDEDLO CCC(O)(CC)C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000599673158 450144465 /nfs/dbraw/zinc/14/44/65/450144465.db2.gz LQWGNYVTKAJOFX-UHFFFAOYSA-N 1 2 325.434 1.210 20 30 EDEDLO CCC(O)(CC)C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000599673158 450144471 /nfs/dbraw/zinc/14/44/71/450144471.db2.gz LQWGNYVTKAJOFX-UHFFFAOYSA-N 1 2 325.434 1.210 20 30 EDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000599693106 450157084 /nfs/dbraw/zinc/15/70/84/450157084.db2.gz WGCHIDLWRSEEAF-GFCCVEGCSA-N 1 2 341.864 1.973 20 30 EDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000599693106 450157087 /nfs/dbraw/zinc/15/70/87/450157087.db2.gz WGCHIDLWRSEEAF-GFCCVEGCSA-N 1 2 341.864 1.973 20 30 EDEDLO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)C(=O)NC1(C#N)CCC1 ZINC000595434771 450140979 /nfs/dbraw/zinc/14/09/79/450140979.db2.gz XWIMHKDYUAALHE-CHWSQXEVSA-N 1 2 330.436 1.606 20 30 EDEDLO COCc1cc(C#N)ccc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000603267613 450193622 /nfs/dbraw/zinc/19/36/22/450193622.db2.gz CCLWSHJJMPCDSJ-UHFFFAOYSA-N 1 2 330.432 1.351 20 30 EDEDLO CCOC1CC(CNC(=O)C(C#N)(CC)CC)([NH+]2CCOCC2)C1 ZINC000599828453 450238314 /nfs/dbraw/zinc/23/83/14/450238314.db2.gz GUSDOOJNKAKIHO-UHFFFAOYSA-N 1 2 337.464 1.702 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000610563559 450262569 /nfs/dbraw/zinc/26/25/69/450262569.db2.gz ASQVUCJLLGRWBR-UHFFFAOYSA-N 1 2 339.403 1.999 20 30 EDEDLO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000616132535 450330641 /nfs/dbraw/zinc/33/06/41/450330641.db2.gz OMWRPSGVRKWBJT-CQSZACIVSA-N 1 2 330.407 1.899 20 30 EDEDLO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000616132535 450330648 /nfs/dbraw/zinc/33/06/48/450330648.db2.gz OMWRPSGVRKWBJT-CQSZACIVSA-N 1 2 330.407 1.899 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618798360 450304593 /nfs/dbraw/zinc/30/45/93/450304593.db2.gz VWCCZHXGAQKZPC-SUMWQHHRSA-N 1 2 328.416 1.565 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000618810881 450307283 /nfs/dbraw/zinc/30/72/83/450307283.db2.gz QFQRTPPBAMGYLK-IYOUNJFTSA-N 1 2 342.443 1.954 20 30 EDEDLO CCCCNC(=O)C[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000610719241 450310810 /nfs/dbraw/zinc/31/08/10/450310810.db2.gz YIFVWVNUYKHVQK-UHFFFAOYSA-N 1 2 332.423 1.731 20 30 EDEDLO NC(=O)C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000626077496 450569901 /nfs/dbraw/zinc/56/99/01/450569901.db2.gz LFTNZHZFQYKMOD-CQSZACIVSA-N 1 2 342.317 1.513 20 30 EDEDLO NC(=O)C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000626077496 450569902 /nfs/dbraw/zinc/56/99/02/450569902.db2.gz LFTNZHZFQYKMOD-CQSZACIVSA-N 1 2 342.317 1.513 20 30 EDEDLO C=CCC1(C(=O)N2CC[NH+](CCc3cnccn3)CC2)CCOCC1 ZINC000634508816 451373236 /nfs/dbraw/zinc/37/32/36/451373236.db2.gz MZGFRIVRMBAJLR-UHFFFAOYSA-N 1 2 344.459 1.536 20 30 EDEDLO C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000630964971 451511205 /nfs/dbraw/zinc/51/12/05/451511205.db2.gz LXUJXUBNBMDYNI-IRXDYDNUSA-N 1 2 343.427 1.774 20 30 EDEDLO C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000630964971 451511209 /nfs/dbraw/zinc/51/12/09/451511209.db2.gz LXUJXUBNBMDYNI-IRXDYDNUSA-N 1 2 343.427 1.774 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)c2[nH]c(C)c(C(C)=O)c2C)nn1 ZINC000640795993 451588904 /nfs/dbraw/zinc/58/89/04/451588904.db2.gz WROWJDIDVOIRTF-UHFFFAOYSA-N 1 2 327.388 1.421 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)[C@@H](C)c2ccccc2)nn1 ZINC000640856313 451642286 /nfs/dbraw/zinc/64/22/86/451642286.db2.gz PAGVRUSABZMTGT-HNNXBMFYSA-N 1 2 325.416 1.611 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000637041940 451694002 /nfs/dbraw/zinc/69/40/02/451694002.db2.gz ZSAJXQFIPJBIFN-OAHLLOKOSA-N 1 2 337.464 1.028 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000639739060 452082561 /nfs/dbraw/zinc/08/25/61/452082561.db2.gz RQBYYSNTNAETLX-CQSZACIVSA-N 1 2 333.423 1.045 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000645168703 452191847 /nfs/dbraw/zinc/19/18/47/452191847.db2.gz PCQHKCWJFFBPSQ-QZTJIDSGSA-N 1 2 345.443 1.133 20 30 EDEDLO C=C(C)Cn1c([C@H]2CCO[C@@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000647403105 452204440 /nfs/dbraw/zinc/20/44/40/452204440.db2.gz CVNHOLNTQZLUDV-CVEARBPZSA-N 1 2 349.479 1.515 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2nc(COC)ncc2C1 ZINC000639909467 452230563 /nfs/dbraw/zinc/23/05/63/452230563.db2.gz FPJYNCPOAGAHFX-CQSZACIVSA-N 1 2 330.432 1.570 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2nc(COC)ncc2C1 ZINC000639909467 452230571 /nfs/dbraw/zinc/23/05/71/452230571.db2.gz FPJYNCPOAGAHFX-CQSZACIVSA-N 1 2 330.432 1.570 20 30 EDEDLO C=CC[N@H+](CC(=O)NCc1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC000661758497 452558957 /nfs/dbraw/zinc/55/89/57/452558957.db2.gz SWBPPZDLKCEJFH-UHFFFAOYSA-N 1 2 338.473 1.993 20 30 EDEDLO C=CC[N@@H+](CC(=O)NCc1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC000661758497 452558969 /nfs/dbraw/zinc/55/89/69/452558969.db2.gz SWBPPZDLKCEJFH-UHFFFAOYSA-N 1 2 338.473 1.993 20 30 EDEDLO C=CCN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CCS(=O)(=O)C1 ZINC000678891227 487376577 /nfs/dbraw/zinc/37/65/77/487376577.db2.gz PEBJFSBXWVLPKC-ZDUSSCGKSA-N 1 2 334.401 1.541 20 30 EDEDLO C=CCC1(CNC(=O)N(CCO)CC[NH+]2CCOCC2)CCCC1 ZINC000459055187 485686286 /nfs/dbraw/zinc/68/62/86/485686286.db2.gz UUMWHGZABQZWCK-UHFFFAOYSA-N 1 2 339.480 1.459 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000281974618 534354326 /nfs/dbraw/zinc/35/43/26/534354326.db2.gz YUVMXUGUOVLWOD-TZMCWYRMSA-N 1 2 337.387 1.999 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000525167572 519109100 /nfs/dbraw/zinc/10/91/00/519109100.db2.gz WRBASUHEZHNQGR-UHFFFAOYSA-N 1 2 334.339 1.343 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000133089106 526990411 /nfs/dbraw/zinc/99/04/11/526990411.db2.gz JIURQXJJSADUHO-UHFFFAOYSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000133089106 526990415 /nfs/dbraw/zinc/99/04/15/526990415.db2.gz JIURQXJJSADUHO-UHFFFAOYSA-N 1 2 333.476 1.487 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000183668382 527197386 /nfs/dbraw/zinc/19/73/86/527197386.db2.gz FFDYVZHOKBQMCT-MRXNPFEDSA-N 1 2 328.416 1.862 20 30 EDEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000092843991 528374447 /nfs/dbraw/zinc/37/44/47/528374447.db2.gz KSEKPMZGQTYLCE-HNNXBMFYSA-N 1 2 326.849 1.705 20 30 EDEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000092843991 528374451 /nfs/dbraw/zinc/37/44/51/528374451.db2.gz KSEKPMZGQTYLCE-HNNXBMFYSA-N 1 2 326.849 1.705 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](CCC1CCCCC1)CC(N)=O ZINC000101567782 528846680 /nfs/dbraw/zinc/84/66/80/528846680.db2.gz QLCQXYRICMKSNC-GOSISDBHSA-N 1 2 336.480 1.799 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000101567782 528846687 /nfs/dbraw/zinc/84/66/87/528846687.db2.gz QLCQXYRICMKSNC-GOSISDBHSA-N 1 2 336.480 1.799 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000264249133 536655108 /nfs/dbraw/zinc/65/51/08/536655108.db2.gz OTGXFMFVVJUCAD-OLZOCXBDSA-N 1 2 332.404 1.798 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000743200024 579472973 /nfs/dbraw/zinc/47/29/73/579472973.db2.gz STSOKHNGWIWNNN-ZDUSSCGKSA-N 1 2 335.379 1.680 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000743200024 579472975 /nfs/dbraw/zinc/47/29/75/579472975.db2.gz STSOKHNGWIWNNN-ZDUSSCGKSA-N 1 2 335.379 1.680 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@](C)(CCC)NC(=O)OC(C)(C)C)CC1 ZINC000727863193 578540096 /nfs/dbraw/zinc/54/00/96/578540096.db2.gz VRHGFPFEXHLCGZ-SFHVURJKSA-N 1 2 337.464 1.847 20 30 EDEDLO CN(C)c1[nH+]cccc1CNc1ccc(S(N)(=O)=O)cc1C#N ZINC000731904526 578682685 /nfs/dbraw/zinc/68/26/85/578682685.db2.gz JBVMJHPHPWIWJW-UHFFFAOYSA-N 1 2 331.401 1.279 20 30 EDEDLO CS(=O)(=O)CCNN=C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000733204647 578751792 /nfs/dbraw/zinc/75/17/92/578751792.db2.gz XUOWAMOVBLFZCR-UHFFFAOYSA-N 1 2 343.880 1.926 20 30 EDEDLO CC(=NNC(=S)NC1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735610689 578904514 /nfs/dbraw/zinc/90/45/14/578904514.db2.gz SWMPZTQTQOXNJI-INIZCTEOSA-N 1 2 332.473 1.890 20 30 EDEDLO CC(=NNC(=S)NC1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735610689 578904515 /nfs/dbraw/zinc/90/45/15/578904515.db2.gz SWMPZTQTQOXNJI-INIZCTEOSA-N 1 2 332.473 1.890 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000739860213 579260925 /nfs/dbraw/zinc/26/09/25/579260925.db2.gz VJXBUIRRJODKBW-ORPWPGRKSA-N 1 2 343.456 1.924 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000739860213 579260926 /nfs/dbraw/zinc/26/09/26/579260926.db2.gz VJXBUIRRJODKBW-ORPWPGRKSA-N 1 2 343.456 1.924 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)CC(C)(C)C#N)C[C@H](C)O1 ZINC000777819448 580451261 /nfs/dbraw/zinc/45/12/61/580451261.db2.gz PZYSOUXRJOKYMR-QLFBSQMISA-N 1 2 343.493 1.440 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)CC(C)(C)C#N)C[C@H](C)O1 ZINC000777819448 580451262 /nfs/dbraw/zinc/45/12/62/580451262.db2.gz PZYSOUXRJOKYMR-QLFBSQMISA-N 1 2 343.493 1.440 20 30 EDEDLO COC(=O)[C@H](OC(=O)CCc1ccc(N)[nH+]c1)c1ccc(C#N)cc1 ZINC000751461997 579808442 /nfs/dbraw/zinc/80/84/42/579808442.db2.gz XTADXUZCMNZBKY-QGZVFWFLSA-N 1 2 339.351 1.926 20 30 EDEDLO CO[C@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000751945883 579829488 /nfs/dbraw/zinc/82/94/88/579829488.db2.gz CULBRUXWNVCCMW-WMLDXEAASA-N 1 2 328.372 1.003 20 30 EDEDLO CO[C@H]1CC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000751945883 579829489 /nfs/dbraw/zinc/82/94/89/579829489.db2.gz CULBRUXWNVCCMW-WMLDXEAASA-N 1 2 328.372 1.003 20 30 EDEDLO CO[C@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000752326903 579845856 /nfs/dbraw/zinc/84/58/56/579845856.db2.gz QQGZOUDUSPSUBB-WCQYABFASA-N 1 2 326.356 1.232 20 30 EDEDLO CO[C@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000752326903 579845858 /nfs/dbraw/zinc/84/58/58/579845858.db2.gz QQGZOUDUSPSUBB-WCQYABFASA-N 1 2 326.356 1.232 20 30 EDEDLO CNC(=O)CCC[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000753203079 579874786 /nfs/dbraw/zinc/87/47/86/579874786.db2.gz BSDOEXRNBPOPQQ-GFCCVEGCSA-N 1 2 344.440 1.931 20 30 EDEDLO CNC(=O)CCC[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000753203079 579874787 /nfs/dbraw/zinc/87/47/87/579874787.db2.gz BSDOEXRNBPOPQQ-GFCCVEGCSA-N 1 2 344.440 1.931 20 30 EDEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C[C@H](C)C#N)C1CC1)cc2=O ZINC000754371867 579902058 /nfs/dbraw/zinc/90/20/58/579902058.db2.gz OAVBKXPSRCGOEG-LLVKDONJSA-N 1 2 343.387 1.736 20 30 EDEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C[C@H](C)C#N)C1CC1)cc2=O ZINC000754371867 579902059 /nfs/dbraw/zinc/90/20/59/579902059.db2.gz OAVBKXPSRCGOEG-LLVKDONJSA-N 1 2 343.387 1.736 20 30 EDEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@@H](C(=O)OCC)C2)c1O ZINC000754742139 579910619 /nfs/dbraw/zinc/91/06/19/579910619.db2.gz QOKJWGNBWYAHNK-MRXNPFEDSA-N 1 2 335.400 1.893 20 30 EDEDLO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H](C(=O)OCC)C2)c1O ZINC000754742139 579910620 /nfs/dbraw/zinc/91/06/20/579910620.db2.gz QOKJWGNBWYAHNK-MRXNPFEDSA-N 1 2 335.400 1.893 20 30 EDEDLO Cc1[nH+]c[nH]c1CN=Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000755635694 579931416 /nfs/dbraw/zinc/93/14/16/579931416.db2.gz FESPFGRYJRBYBI-UHFFFAOYSA-N 1 2 336.421 1.636 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCCCc3ccc(OC)cc32)CC1 ZINC000756913343 579960124 /nfs/dbraw/zinc/96/01/24/579960124.db2.gz CSTZIIGEWARIJC-UHFFFAOYSA-N 1 2 341.455 1.615 20 30 EDEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758219248 579977187 /nfs/dbraw/zinc/97/71/87/579977187.db2.gz XOCCZKCDIRBVEQ-CYBMUJFWSA-N 1 2 332.404 1.524 20 30 EDEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758219248 579977188 /nfs/dbraw/zinc/97/71/88/579977188.db2.gz XOCCZKCDIRBVEQ-CYBMUJFWSA-N 1 2 332.404 1.524 20 30 EDEDLO N#Cc1cccnc1NCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000764790262 580128827 /nfs/dbraw/zinc/12/88/27/580128827.db2.gz IVLOTAYXXZLIIW-UHFFFAOYSA-N 1 2 341.444 1.820 20 30 EDEDLO N#Cc1cccnc1NCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000764790262 580128828 /nfs/dbraw/zinc/12/88/28/580128828.db2.gz IVLOTAYXXZLIIW-UHFFFAOYSA-N 1 2 341.444 1.820 20 30 EDEDLO CN(C)C(=O)CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766630873 580170646 /nfs/dbraw/zinc/17/06/46/580170646.db2.gz BIBIJAZAVRXUNI-UHFFFAOYSA-N 1 2 342.443 1.356 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000767195631 580183597 /nfs/dbraw/zinc/18/35/97/580183597.db2.gz OEKMFGWDTNIKGC-QHCPKHFHSA-N 1 2 334.489 1.751 20 30 EDEDLO COc1cccc(S(C)(=O)=O)c1N=NC1C[N@@H+](C2CC2)C[C@H]1C ZINC000767394732 580188335 /nfs/dbraw/zinc/18/83/35/580188335.db2.gz QQSVFXUZMQVKGI-LLVKDONJSA-N 1 2 337.445 1.981 20 30 EDEDLO COc1cccc(S(C)(=O)=O)c1N=NC1C[N@H+](C2CC2)C[C@H]1C ZINC000767394732 580188336 /nfs/dbraw/zinc/18/83/36/580188336.db2.gz QQSVFXUZMQVKGI-LLVKDONJSA-N 1 2 337.445 1.981 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000767655904 580196231 /nfs/dbraw/zinc/19/62/31/580196231.db2.gz ROXAGFZMSZUXRF-LBPRGKRZSA-N 1 2 348.403 1.999 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NC2CCN(CC#N)CC2)C1 ZINC000767802749 580200222 /nfs/dbraw/zinc/20/02/22/580200222.db2.gz ZNNXNAKRBPSVDX-AWEZNQCLSA-N 1 2 330.436 1.297 20 30 EDEDLO N#Cc1cccc(NC(=O)CON=C(N)C[NH+]2CCSCC2)c1 ZINC000768493380 580214688 /nfs/dbraw/zinc/21/46/88/580214688.db2.gz BFBHZPAZWZKMHP-UHFFFAOYSA-N 1 2 333.417 1.044 20 30 EDEDLO N#Cc1ncn(CC(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)n1 ZINC000769138320 580229654 /nfs/dbraw/zinc/22/96/54/580229654.db2.gz HQNMKGKFNJBABI-UHFFFAOYSA-N 1 2 347.382 1.988 20 30 EDEDLO N#Cc1cccn(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1=O ZINC000774636290 580368390 /nfs/dbraw/zinc/36/83/90/580368390.db2.gz KYIDHOKGADCVHK-UHFFFAOYSA-N 1 2 338.415 1.485 20 30 EDEDLO C#C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)[C@@H]1CCCO1 ZINC000775801746 580401479 /nfs/dbraw/zinc/40/14/79/580401479.db2.gz YUJQFEDDINFAFQ-MELADBBJSA-N 1 2 337.217 1.746 20 30 EDEDLO C=CC[C@H](C(=O)N1CC[NH+](CC[S@@](C)=O)CC1)c1ccccc1 ZINC000778916587 580475487 /nfs/dbraw/zinc/47/54/87/580475487.db2.gz GVOWQQIVGNYDON-GAJHUEQPSA-N 1 2 334.485 1.869 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000780091878 580512528 /nfs/dbraw/zinc/51/25/28/580512528.db2.gz KQIPZGZNZOKAFQ-TZMCWYRMSA-N 1 2 333.388 1.233 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC000781989074 580562722 /nfs/dbraw/zinc/56/27/22/580562722.db2.gz QHHBFIUSEHONEQ-CQSZACIVSA-N 1 2 325.453 1.866 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC000781989074 580562723 /nfs/dbraw/zinc/56/27/23/580562723.db2.gz QHHBFIUSEHONEQ-CQSZACIVSA-N 1 2 325.453 1.866 20 30 EDEDLO CO[C@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC[C@H]1C ZINC000784364914 580619483 /nfs/dbraw/zinc/61/94/83/580619483.db2.gz JMTUXEGXNBYAJK-CJNGLKHVSA-N 1 2 326.400 1.777 20 30 EDEDLO CO[C@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC[C@H]1C ZINC000784364914 580619484 /nfs/dbraw/zinc/61/94/84/580619484.db2.gz JMTUXEGXNBYAJK-CJNGLKHVSA-N 1 2 326.400 1.777 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2cc(Br)nn2C)CC1 ZINC000787128166 580688024 /nfs/dbraw/zinc/68/80/24/580688024.db2.gz KXSOXVZUSOQMPC-UHFFFAOYSA-N 1 2 339.237 1.144 20 30 EDEDLO CC(C)(C)CC(=NNC(=S)NCC[NH+]1CCOCC1)C1CC1 ZINC000787149780 580688429 /nfs/dbraw/zinc/68/84/29/580688429.db2.gz GWNSTVKRDBGDLZ-UHFFFAOYSA-N 1 2 326.510 1.985 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000787307000 580692425 /nfs/dbraw/zinc/69/24/25/580692425.db2.gz ZURSICYRJSFTOK-JTQLQIEISA-N 1 2 331.338 1.781 20 30 EDEDLO C=CCN1C(=O)c2ccc(C(=O)OCc3cc[nH+]c(N)c3)cc2C1=O ZINC000791476545 580793439 /nfs/dbraw/zinc/79/34/39/580793439.db2.gz HRYRCLHGUYFYNJ-UHFFFAOYSA-N 1 2 337.335 1.803 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000793551815 580847554 /nfs/dbraw/zinc/84/75/54/580847554.db2.gz HJWCLPGAOAHTPO-XMMPIXPASA-N 1 2 347.484 1.624 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C/[NH+]=C/c1ccc(O)c(O)c1O ZINC000794675568 580902427 /nfs/dbraw/zinc/90/24/27/580902427.db2.gz DNJUKCKDBWUFCK-SVCCNBJCSA-N 1 2 342.417 1.330 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000798292066 580993266 /nfs/dbraw/zinc/99/32/66/580993266.db2.gz UQBAPFFJZKNKGZ-FQEVSTJZSA-N 1 2 349.434 1.736 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000798355260 580995116 /nfs/dbraw/zinc/99/51/16/580995116.db2.gz UVVBVNCBABAPHI-ROUUACIJSA-N 1 2 345.443 1.133 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000799072110 581015501 /nfs/dbraw/zinc/01/55/01/581015501.db2.gz BBHXVRDLDBKNPC-KRWDZBQOSA-N 1 2 338.411 1.901 20 30 EDEDLO COCCO[C@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000800851105 581059716 /nfs/dbraw/zinc/05/97/16/581059716.db2.gz XZHBTKWQYLXFJU-HNNXBMFYSA-N 1 2 331.416 1.294 20 30 EDEDLO COCCO[C@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000800851105 581059717 /nfs/dbraw/zinc/05/97/17/581059717.db2.gz XZHBTKWQYLXFJU-HNNXBMFYSA-N 1 2 331.416 1.294 20 30 EDEDLO CN(C)c1ncnc(Cl)c1C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000801525348 581078979 /nfs/dbraw/zinc/07/89/79/581078979.db2.gz IOSHLORXXYXARW-UHFFFAOYSA-N 1 2 348.842 1.438 20 30 EDEDLO CN(C)c1ncnc(Cl)c1C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000801525348 581078980 /nfs/dbraw/zinc/07/89/80/581078980.db2.gz IOSHLORXXYXARW-UHFFFAOYSA-N 1 2 348.842 1.438 20 30 EDEDLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](CCO[C@@H](C)C#N)CC2)c1 ZINC000801922509 581088106 /nfs/dbraw/zinc/08/81/06/581088106.db2.gz KFHCHHJXSSFEQM-DLBZAZTESA-N 1 2 345.443 1.835 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccccc1N1CCCC1=O ZINC000890887721 590834557 /nfs/dbraw/zinc/83/45/57/590834557.db2.gz SQZSEQUYAHWPIU-SFHVURJKSA-N 1 2 328.416 1.316 20 30 EDEDLO Cc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cnc1F ZINC000892223963 590872424 /nfs/dbraw/zinc/87/24/24/590872424.db2.gz OGYCFXFDIHOBQM-ZDUSSCGKSA-N 1 2 326.379 1.902 20 30 EDEDLO Cc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cnc1F ZINC000892223963 590872427 /nfs/dbraw/zinc/87/24/27/590872427.db2.gz OGYCFXFDIHOBQM-ZDUSSCGKSA-N 1 2 326.379 1.902 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc([C@H](C)OC)c2)C1 ZINC000891605190 591145930 /nfs/dbraw/zinc/14/59/30/591145930.db2.gz BLLBXHUIOOWJHB-YOEHRIQHSA-N 1 2 343.427 1.546 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc([C@H](C)OC)c2)C1 ZINC000891605190 591145934 /nfs/dbraw/zinc/14/59/34/591145934.db2.gz BLLBXHUIOOWJHB-YOEHRIQHSA-N 1 2 343.427 1.546 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000891606866 591147659 /nfs/dbraw/zinc/14/76/59/591147659.db2.gz PQBJGPZHBQXWFU-AWEZNQCLSA-N 1 2 344.802 1.364 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000891606866 591147662 /nfs/dbraw/zinc/14/76/62/591147662.db2.gz PQBJGPZHBQXWFU-AWEZNQCLSA-N 1 2 344.802 1.364 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000891608537 591148884 /nfs/dbraw/zinc/14/88/84/591148884.db2.gz ZBQWDWDVLQIOGK-CYBMUJFWSA-N 1 2 349.818 1.501 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000891608537 591148887 /nfs/dbraw/zinc/14/88/87/591148887.db2.gz ZBQWDWDVLQIOGK-CYBMUJFWSA-N 1 2 349.818 1.501 20 30 EDEDLO C#CC1(O)CN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)C1 ZINC000891656487 591171085 /nfs/dbraw/zinc/17/10/85/591171085.db2.gz OWSQGOIHVAOYOW-AWEZNQCLSA-N 1 2 328.347 1.038 20 30 EDEDLO C[C@]1(C#N)CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCO1 ZINC000891737625 591204469 /nfs/dbraw/zinc/20/44/69/591204469.db2.gz BIWPKIZSAHCGJL-SFHVURJKSA-N 1 2 343.431 1.896 20 30 EDEDLO C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896539962 591503246 /nfs/dbraw/zinc/50/32/46/591503246.db2.gz CJYFXKGWBUSQNN-SUMWQHHRSA-N 1 2 346.450 1.725 20 30 EDEDLO C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896539962 591503247 /nfs/dbraw/zinc/50/32/47/591503247.db2.gz CJYFXKGWBUSQNN-SUMWQHHRSA-N 1 2 346.450 1.725 20 30 EDEDLO Cc1cc(N[C@@H]2CCN(c3nc(C(C)C)cc(=O)[nH]3)C2)c(C#N)c[nH+]1 ZINC000896975837 591698146 /nfs/dbraw/zinc/69/81/46/591698146.db2.gz NONCDGFEYMEIPH-CQSZACIVSA-N 1 2 338.415 1.993 20 30 EDEDLO CCC/C=C\[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000899967466 591848582 /nfs/dbraw/zinc/84/85/82/591848582.db2.gz MASFMIZNASBPLB-PYTPGESOSA-N 1 2 327.428 1.920 20 30 EDEDLO N#Cc1ccccc1C(F)(F)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000899970548 591849972 /nfs/dbraw/zinc/84/99/72/591849972.db2.gz VZFCKPRIFBLXMA-OAHLLOKOSA-N 1 2 349.381 1.973 20 30 EDEDLO C[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902600552 592022558 /nfs/dbraw/zinc/02/25/58/592022558.db2.gz WAUVKOITABQFLI-INIZCTEOSA-N 1 2 333.388 1.002 20 30 EDEDLO CC(C)[C@]12C[C@H]1C(=O)N(C[NH+]1CCC3(CC1)CC(=O)C=CO3)C2=O ZINC000902609637 592025199 /nfs/dbraw/zinc/02/51/99/592025199.db2.gz ROWYBUKMKNSUPD-KBXCAEBGSA-N 1 2 332.400 1.313 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000900877661 592154143 /nfs/dbraw/zinc/15/41/43/592154143.db2.gz DFNVJBZOEIIYKE-FPTDEYDUSA-N 1 2 342.439 1.913 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1ccc(F)c(O)c1 ZINC000901129911 592243856 /nfs/dbraw/zinc/24/38/56/592243856.db2.gz JQPZZXWCPUXACH-UHFFFAOYSA-N 1 2 340.424 1.052 20 30 EDEDLO CCCN1C/C(=C\c2cncn2C)C(=O)/C(=C/c2c[nH+]cn2C)C1 ZINC000901416797 592357066 /nfs/dbraw/zinc/35/70/66/592357066.db2.gz GQVRVYMWRVWSKQ-MKFXEVHTSA-N 1 2 325.416 1.915 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2ccc3c(c2)CCC3)no1 ZINC000904105199 592426531 /nfs/dbraw/zinc/42/65/31/592426531.db2.gz BCUZTSGBWYCAPY-HNNXBMFYSA-N 1 2 327.384 1.748 20 30 EDEDLO C=CC[C@H]([NH2+]C[C@@H](Cc1ccc(F)cc1C)C(=O)NC)C(=O)OC ZINC000905779733 592636756 /nfs/dbraw/zinc/63/67/56/592636756.db2.gz OASZHAVEQNEEIA-ZBFHGGJFSA-N 1 2 336.407 1.746 20 30 EDEDLO CC(C)C[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)n1cc[nH+]c1 ZINC000907812760 592802370 /nfs/dbraw/zinc/80/23/70/592802370.db2.gz PXSPLWDMMARYEV-OAHLLOKOSA-N 1 2 330.388 1.906 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)CC1 ZINC000906594398 592860539 /nfs/dbraw/zinc/86/05/39/592860539.db2.gz ZWGMOCHLUFJQEG-RJYAGPCLSA-N 1 2 341.459 1.784 20 30 EDEDLO CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@@H]3CCCC[C@@H]3C#N)co2)C1 ZINC000912407851 593093753 /nfs/dbraw/zinc/09/37/53/593093753.db2.gz SHLARLYFNPENOJ-HZSPNIEDSA-N 1 2 332.404 1.707 20 30 EDEDLO CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@@H]3CCCC[C@@H]3C#N)co2)C1 ZINC000912407851 593093754 /nfs/dbraw/zinc/09/37/54/593093754.db2.gz SHLARLYFNPENOJ-HZSPNIEDSA-N 1 2 332.404 1.707 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000838498884 593174791 /nfs/dbraw/zinc/17/47/91/593174791.db2.gz FOKILKRPNVHGHS-SJORKVTESA-N 1 2 338.411 1.748 20 30 EDEDLO C#CCC[C@H](O)CNc1nc(NC[C@@H](O)CCC#C)c(Cl)c[nH+]1 ZINC000798419394 593200878 /nfs/dbraw/zinc/20/08/78/593200878.db2.gz KLYAJWIJWKJAJI-STQMWFEESA-N 1 2 336.823 1.502 20 30 EDEDLO C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000802568684 593264183 /nfs/dbraw/zinc/26/41/83/593264183.db2.gz JJKULTVVNYPYNF-LLVKDONJSA-N 1 2 344.321 1.212 20 30 EDEDLO C=CCSCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803206201 593309242 /nfs/dbraw/zinc/30/92/42/593309242.db2.gz IWOSDTLOGZHCNR-UHFFFAOYSA-N 1 2 344.440 1.524 20 30 EDEDLO C=C(Br)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000805001220 593325172 /nfs/dbraw/zinc/32/51/72/593325172.db2.gz FDZZHGBTQPCKPC-RYUDHWBXSA-N 1 2 332.242 1.400 20 30 EDEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)C1 ZINC000810536342 593410410 /nfs/dbraw/zinc/41/04/10/593410410.db2.gz QGXYWLGALBDOSK-YVEFUNNKSA-N 1 2 332.379 1.941 20 30 EDEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)C1 ZINC000810536342 593410411 /nfs/dbraw/zinc/41/04/11/593410411.db2.gz QGXYWLGALBDOSK-YVEFUNNKSA-N 1 2 332.379 1.941 20 30 EDEDLO COC(=O)C[N@H+](CCOCCC#N)Cc1cc(Cl)ccc1O ZINC000815070165 593613310 /nfs/dbraw/zinc/61/33/10/593613310.db2.gz LYYDPZWGRSZUQD-UHFFFAOYSA-N 1 2 326.780 1.951 20 30 EDEDLO COC(=O)C[N@@H+](CCOCCC#N)Cc1cc(Cl)ccc1O ZINC000815070165 593613311 /nfs/dbraw/zinc/61/33/11/593613311.db2.gz LYYDPZWGRSZUQD-UHFFFAOYSA-N 1 2 326.780 1.951 20 30 EDEDLO Cc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)c(OCC(=O)N(C)C)c1 ZINC000819423589 593754068 /nfs/dbraw/zinc/75/40/68/593754068.db2.gz GQRATLRCMSVRJF-OAHLLOKOSA-N 1 2 348.447 1.080 20 30 EDEDLO Cc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c(OCC(=O)N(C)C)c1 ZINC000819423589 593754069 /nfs/dbraw/zinc/75/40/69/593754069.db2.gz GQRATLRCMSVRJF-OAHLLOKOSA-N 1 2 348.447 1.080 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2cccc(OCC#N)c2)[C@@H](C)CO1 ZINC000820004870 593782594 /nfs/dbraw/zinc/78/25/94/593782594.db2.gz JHABIPGEUQGTJG-KBPBESRZSA-N 1 2 332.404 1.820 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cccc(OCC#N)c2)[C@@H](C)CO1 ZINC000820004870 593782595 /nfs/dbraw/zinc/78/25/95/593782595.db2.gz JHABIPGEUQGTJG-KBPBESRZSA-N 1 2 332.404 1.820 20 30 EDEDLO C#CC[N@@H+](Cc1cc(Cl)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824601926 594046195 /nfs/dbraw/zinc/04/61/95/594046195.db2.gz NTZJEJXQOLKZMY-CYBMUJFWSA-N 1 2 327.833 1.976 20 30 EDEDLO C#CC[N@H+](Cc1cc(Cl)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824601926 594046197 /nfs/dbraw/zinc/04/61/97/594046197.db2.gz NTZJEJXQOLKZMY-CYBMUJFWSA-N 1 2 327.833 1.976 20 30 EDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825399199 594178641 /nfs/dbraw/zinc/17/86/41/594178641.db2.gz MCNRWMPZYSOFHA-WFASDCNBSA-N 1 2 339.403 1.454 20 30 EDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825399199 594178642 /nfs/dbraw/zinc/17/86/42/594178642.db2.gz MCNRWMPZYSOFHA-WFASDCNBSA-N 1 2 339.403 1.454 20 30 EDEDLO O=C(C#Cc1cccs1)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000825888614 594269209 /nfs/dbraw/zinc/26/92/09/594269209.db2.gz YQZBHHMEELXXLS-UHFFFAOYSA-N 1 2 345.468 1.256 20 30 EDEDLO O=C(C#Cc1cccs1)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000825888614 594269211 /nfs/dbraw/zinc/26/92/11/594269211.db2.gz YQZBHHMEELXXLS-UHFFFAOYSA-N 1 2 345.468 1.256 20 30 EDEDLO N#CC[C@]1(O)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000825973819 594294782 /nfs/dbraw/zinc/29/47/82/594294782.db2.gz RHXNMFXKUNURGQ-KRWDZBQOSA-N 1 2 325.372 1.432 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000829997983 594310913 /nfs/dbraw/zinc/31/09/13/594310913.db2.gz FVFVJGXGBKWWII-KBPBESRZSA-N 1 2 343.196 1.972 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000829997983 594310916 /nfs/dbraw/zinc/31/09/16/594310916.db2.gz FVFVJGXGBKWWII-KBPBESRZSA-N 1 2 343.196 1.972 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)S1 ZINC000830759955 594472006 /nfs/dbraw/zinc/47/20/06/594472006.db2.gz KJZYJQIZTCXIDI-LBPRGKRZSA-N 1 2 344.506 1.365 20 30 EDEDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000831686843 594692577 /nfs/dbraw/zinc/69/25/77/594692577.db2.gz BRBFHMYCJCYLSI-CABCVRRESA-N 1 2 335.448 1.945 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC000831687346 594692668 /nfs/dbraw/zinc/69/26/68/594692668.db2.gz MUVDFIGITBEOPC-OAHLLOKOSA-N 1 2 343.427 1.985 20 30 EDEDLO CCO[C@@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)C[NH+](C)C ZINC000831767065 594701061 /nfs/dbraw/zinc/70/10/61/594701061.db2.gz ZYUWBWAHISXKDV-NSHDSACASA-N 1 2 338.433 1.077 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc1Cl ZINC000840759140 594815154 /nfs/dbraw/zinc/81/51/54/594815154.db2.gz VHZPJAOXJUQAID-NSHDSACASA-N 1 2 326.780 1.712 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc1Cl ZINC000840759140 594815156 /nfs/dbraw/zinc/81/51/56/594815156.db2.gz VHZPJAOXJUQAID-NSHDSACASA-N 1 2 326.780 1.712 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000833971770 594978070 /nfs/dbraw/zinc/97/80/70/594978070.db2.gz MYLHWRBGRXBBOQ-QGZVFWFLSA-N 1 2 328.416 1.865 20 30 EDEDLO N#CC1(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000842024103 595004577 /nfs/dbraw/zinc/00/45/77/595004577.db2.gz KFPCDVLEAZCKOI-UHFFFAOYSA-N 1 2 328.416 1.850 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)C1=O ZINC000842235291 595047576 /nfs/dbraw/zinc/04/75/76/595047576.db2.gz GJNOAHUKCGPQDW-NFAWXSAZSA-N 1 2 342.399 1.139 20 30 EDEDLO NC(=NOCCC[C@@H]1CCOC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842648694 595156542 /nfs/dbraw/zinc/15/65/42/595156542.db2.gz YFVJSTXTXVUQAS-QGZVFWFLSA-N 1 2 347.459 1.972 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)n1 ZINC000834705642 595194705 /nfs/dbraw/zinc/19/47/05/595194705.db2.gz PNVIXBGKMLAFDC-HZPDHXFCSA-N 1 2 341.415 1.029 20 30 EDEDLO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC000834784861 595211731 /nfs/dbraw/zinc/21/17/31/595211731.db2.gz ABJHKALKXKRNSU-INIZCTEOSA-N 1 2 335.408 1.654 20 30 EDEDLO COc1ccc2c(c1F)NC(=O)C2=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000834965912 595243638 /nfs/dbraw/zinc/24/36/38/595243638.db2.gz JDKHMBDYVQFOQC-UWVGGRQHSA-N 1 2 331.351 1.351 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000835187148 595276337 /nfs/dbraw/zinc/27/63/37/595276337.db2.gz YONCWSOHRNFCGA-CVEARBPZSA-N 1 2 336.432 1.065 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000846617442 595287224 /nfs/dbraw/zinc/28/72/24/595287224.db2.gz QTWJYEBBJWYNGV-UHFFFAOYSA-N 1 2 347.415 1.010 20 30 EDEDLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365389 595331518 /nfs/dbraw/zinc/33/15/18/595331518.db2.gz DZHPJQOCFXCUHH-RISCZKNCSA-N 1 2 341.419 1.118 20 30 EDEDLO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365389 595331519 /nfs/dbraw/zinc/33/15/19/595331519.db2.gz DZHPJQOCFXCUHH-RISCZKNCSA-N 1 2 341.419 1.118 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)ccn12 ZINC000848780451 595446588 /nfs/dbraw/zinc/44/65/88/595446588.db2.gz RLQGEXMCRYPANP-QGZVFWFLSA-N 1 2 328.372 1.854 20 30 EDEDLO COC(=O)[C@H](NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(C#N)cc1 ZINC000849322190 595505999 /nfs/dbraw/zinc/50/59/99/595505999.db2.gz PKDLNLBMHFSVHD-CKEIUWERSA-N 1 2 331.416 1.471 20 30 EDEDLO COC(=O)[C@H](NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccc(C#N)cc1 ZINC000849322190 595506000 /nfs/dbraw/zinc/50/60/00/595506000.db2.gz PKDLNLBMHFSVHD-CKEIUWERSA-N 1 2 331.416 1.471 20 30 EDEDLO CC(C)N(CC(=O)N[C@](C)(C#N)C[NH+](C)C)C(=O)OC(C)(C)C ZINC000857620573 595560882 /nfs/dbraw/zinc/56/08/82/595560882.db2.gz TUCIGJXDHSXDIJ-MRXNPFEDSA-N 1 2 326.441 1.592 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2ncccn2)c(OC)c1 ZINC000853112422 595668122 /nfs/dbraw/zinc/66/81/22/595668122.db2.gz ATYQBBBCNMZRST-OAHLLOKOSA-N 1 2 329.400 1.743 20 30 EDEDLO Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)nc1 ZINC000858032665 595687406 /nfs/dbraw/zinc/68/74/06/595687406.db2.gz MMGHMSINWYMSJY-CRAIPNDOSA-N 1 2 330.432 1.898 20 30 EDEDLO Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)nc1 ZINC000858032665 595687410 /nfs/dbraw/zinc/68/74/10/595687410.db2.gz MMGHMSINWYMSJY-CRAIPNDOSA-N 1 2 330.432 1.898 20 30 EDEDLO N#Cc1ccc(C2(C(=O)NCC[NH+]3CCOCC3)CCCC2)cc1 ZINC000858117988 595703031 /nfs/dbraw/zinc/70/30/31/595703031.db2.gz JAXPXYRZEJTXMF-UHFFFAOYSA-N 1 2 327.428 1.818 20 30 EDEDLO CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524035 595784610 /nfs/dbraw/zinc/78/46/10/595784610.db2.gz KHKFNYJHGLIWJJ-GUYCJALGSA-N 1 2 344.419 1.160 20 30 EDEDLO CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524035 595784611 /nfs/dbraw/zinc/78/46/11/595784611.db2.gz KHKFNYJHGLIWJJ-GUYCJALGSA-N 1 2 344.419 1.160 20 30 EDEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c1=S ZINC000853594643 595822105 /nfs/dbraw/zinc/82/21/05/595822105.db2.gz JOYRFYIAZAJKPN-CQSZACIVSA-N 1 2 335.477 1.810 20 30 EDEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c1=S ZINC000853594643 595822106 /nfs/dbraw/zinc/82/21/06/595822106.db2.gz JOYRFYIAZAJKPN-CQSZACIVSA-N 1 2 335.477 1.810 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000851731322 595900467 /nfs/dbraw/zinc/90/04/67/595900467.db2.gz ZCVHJLYHMXVPBU-HOTGVXAUSA-N 1 2 329.444 1.647 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000851731322 595900469 /nfs/dbraw/zinc/90/04/69/595900469.db2.gz ZCVHJLYHMXVPBU-HOTGVXAUSA-N 1 2 329.444 1.647 20 30 EDEDLO COc1ccc(CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1C#N ZINC000853882044 595910266 /nfs/dbraw/zinc/91/02/66/595910266.db2.gz RKWNNDQGJGSMIZ-ZIAGYGMSSA-N 1 2 346.431 1.475 20 30 EDEDLO COc1ccc(CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1C#N ZINC000853882044 595910267 /nfs/dbraw/zinc/91/02/67/595910267.db2.gz RKWNNDQGJGSMIZ-ZIAGYGMSSA-N 1 2 346.431 1.475 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000854113251 595978610 /nfs/dbraw/zinc/97/86/10/595978610.db2.gz LLQKFYKBYDZAHA-HOTGVXAUSA-N 1 2 345.443 1.607 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000854113251 595978613 /nfs/dbraw/zinc/97/86/13/595978613.db2.gz LLQKFYKBYDZAHA-HOTGVXAUSA-N 1 2 345.443 1.607 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)CC1 ZINC000859357440 596063051 /nfs/dbraw/zinc/06/30/51/596063051.db2.gz PPFYRNCWWUYHIU-LBPRGKRZSA-N 1 2 340.349 1.557 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852430466 596155762 /nfs/dbraw/zinc/15/57/62/596155762.db2.gz HPRJDUVKEQRNBS-OCCSQVGLSA-N 1 2 328.372 1.412 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852430466 596155763 /nfs/dbraw/zinc/15/57/63/596155763.db2.gz HPRJDUVKEQRNBS-OCCSQVGLSA-N 1 2 328.372 1.412 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](N4CCOC4=O)C3)C2=O)cc1 ZINC000852436295 596161500 /nfs/dbraw/zinc/16/15/00/596161500.db2.gz XLPMGTWJDVKMAX-JKSUJKDBSA-N 1 2 340.383 1.190 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](N4CCOC4=O)C3)C2=O)cc1 ZINC000852436295 596161503 /nfs/dbraw/zinc/16/15/03/596161503.db2.gz XLPMGTWJDVKMAX-JKSUJKDBSA-N 1 2 340.383 1.190 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(N3CCOC3=O)CC2)cc1 ZINC000852721505 596232986 /nfs/dbraw/zinc/23/29/86/596232986.db2.gz DQSCTPPCYSYQSL-HNNXBMFYSA-N 1 2 328.372 1.001 20 30 EDEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000852751538 596237759 /nfs/dbraw/zinc/23/77/59/596237759.db2.gz AAWISUXYRIQUOC-UHFFFAOYSA-N 1 2 349.456 1.246 20 30 EDEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000852751538 596237760 /nfs/dbraw/zinc/23/77/60/596237760.db2.gz AAWISUXYRIQUOC-UHFFFAOYSA-N 1 2 349.456 1.246 20 30 EDEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)CC2 ZINC000862121306 596244469 /nfs/dbraw/zinc/24/44/69/596244469.db2.gz TXRTWMBKBBHURJ-IAGOWNOFSA-N 1 2 338.411 1.818 20 30 EDEDLO C#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cn1 ZINC000870989468 596431415 /nfs/dbraw/zinc/43/14/15/596431415.db2.gz FNJPGWZEYNPKBM-UHFFFAOYSA-N 1 2 338.436 1.941 20 30 EDEDLO N#Cc1cccc(NC2CN(C(=O)/C=C/C[NH+]3CCOCC3)C2)c1 ZINC000869341028 596492506 /nfs/dbraw/zinc/49/25/06/596492506.db2.gz RGKZPJXRZJFLON-GORDUTHDSA-N 1 2 326.400 1.069 20 30 EDEDLO C=CCCS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000867732798 596522436 /nfs/dbraw/zinc/52/24/36/596522436.db2.gz CETXNQFQWOSBSD-QGZVFWFLSA-N 1 2 338.473 1.691 20 30 EDEDLO C=CCCS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000867732798 596522437 /nfs/dbraw/zinc/52/24/37/596522437.db2.gz CETXNQFQWOSBSD-QGZVFWFLSA-N 1 2 338.473 1.691 20 30 EDEDLO C=C(C)CNC(=S)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000865263286 596527900 /nfs/dbraw/zinc/52/79/00/596527900.db2.gz FJILYKPKZCLSMV-UHFFFAOYSA-N 1 2 327.494 1.833 20 30 EDEDLO COC1(C(N)=[NH+]OCC(=O)NCc2cccc(C#N)c2)CCCC1 ZINC000863479523 596593237 /nfs/dbraw/zinc/59/32/37/596593237.db2.gz ORMYKYQSSKNIDF-UHFFFAOYSA-N 1 2 330.388 1.632 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CCN1C1CC1 ZINC000865737626 596665347 /nfs/dbraw/zinc/66/53/47/596665347.db2.gz AJNISIBUUMMLIH-TZMCWYRMSA-N 1 2 326.391 1.162 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CCN1C1CC1 ZINC000865737626 596665349 /nfs/dbraw/zinc/66/53/49/596665349.db2.gz AJNISIBUUMMLIH-TZMCWYRMSA-N 1 2 326.391 1.162 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(CC#N)ccn1 ZINC000871732289 596680853 /nfs/dbraw/zinc/68/08/53/596680853.db2.gz XZCPPAXVVVUJEA-UKRRQHHQSA-N 1 2 329.404 1.475 20 30 EDEDLO CO[C@@H]1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)Cc3ccc[nH+]c3N2C1 ZINC000866080456 596780610 /nfs/dbraw/zinc/78/06/10/596780610.db2.gz RYOBUMBMADAPCN-HUUCEWRRSA-N 1 2 337.383 1.531 20 30 EDEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1=O ZINC000864351506 596864459 /nfs/dbraw/zinc/86/44/59/596864459.db2.gz SBDNFFKMHITBKL-CQSZACIVSA-N 1 2 336.313 1.824 20 30 EDEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1=O ZINC000864351506 596864462 /nfs/dbraw/zinc/86/44/62/596864462.db2.gz SBDNFFKMHITBKL-CQSZACIVSA-N 1 2 336.313 1.824 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000872491943 596934482 /nfs/dbraw/zinc/93/44/82/596934482.db2.gz XQXHVYPTXBYCMP-MRXNPFEDSA-N 1 2 349.456 1.352 20 30 EDEDLO C#CC[C@H](COC)NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000875927010 597037690 /nfs/dbraw/zinc/03/76/90/597037690.db2.gz KXFVKEVFLWPYEN-MRXNPFEDSA-N 1 2 349.431 1.162 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cn3nccc3-c3cccnc3)CC2)cn1 ZINC000872792797 597071894 /nfs/dbraw/zinc/07/18/94/597071894.db2.gz AJEKMVVRKHQFOS-UHFFFAOYSA-N 1 2 345.410 1.991 20 30 EDEDLO C=CCc1cc(C[NH+]2CCN([S@](C)(=N)=O)CC2)c(O)c(OC)c1 ZINC000872798094 597075168 /nfs/dbraw/zinc/07/51/68/597075168.db2.gz WTCUUAUQFQTEPT-QHCPKHFHSA-N 1 2 339.461 1.838 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1cn(Cc2ccc(OC)cc2)nn1)[C@H]1CCCO1 ZINC000873108853 597197745 /nfs/dbraw/zinc/19/77/45/597197745.db2.gz VLDVZTKFKQMQFE-QZTJIDSGSA-N 1 2 326.400 1.605 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000874860845 597202955 /nfs/dbraw/zinc/20/29/55/597202955.db2.gz VNSLWZNAZXJLSW-BFYDXBDKSA-N 1 2 344.459 1.791 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000874860845 597202957 /nfs/dbraw/zinc/20/29/57/597202957.db2.gz VNSLWZNAZXJLSW-BFYDXBDKSA-N 1 2 344.459 1.791 20 30 EDEDLO N#Cc1cnc(Cl)c(CN2CC[NH+](CC(=O)NC3CC3)CC2)c1 ZINC000876548443 597235793 /nfs/dbraw/zinc/23/57/93/597235793.db2.gz HIXTUZKOPWKAJV-UHFFFAOYSA-N 1 2 333.823 1.003 20 30 EDEDLO CN(C)c1ccc(C#N)cc1CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000876772649 597333725 /nfs/dbraw/zinc/33/37/25/597333725.db2.gz PLMOZXLACPYCPQ-UHFFFAOYSA-N 1 2 329.448 1.006 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000876772649 597333728 /nfs/dbraw/zinc/33/37/28/597333728.db2.gz PLMOZXLACPYCPQ-UHFFFAOYSA-N 1 2 329.448 1.006 20 30 EDEDLO C=C(Cl)C[C@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)C(=O)OCC ZINC000877671094 597546537 /nfs/dbraw/zinc/54/65/37/597546537.db2.gz FJHWZXFKHRQDJT-ZDUSSCGKSA-N 1 2 331.844 1.796 20 30 EDEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)n1 ZINC000877799921 597558646 /nfs/dbraw/zinc/55/86/46/597558646.db2.gz AEDKQTNOHAOTQL-IPYPFGDCSA-N 1 2 348.472 1.646 20 30 EDEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)n1 ZINC000877799921 597558647 /nfs/dbraw/zinc/55/86/47/597558647.db2.gz AEDKQTNOHAOTQL-IPYPFGDCSA-N 1 2 348.472 1.646 20 30 EDEDLO Cc1cccnc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000878642107 597665266 /nfs/dbraw/zinc/66/52/66/597665266.db2.gz WRKRNRCTSJIEBI-HNNXBMFYSA-N 1 2 337.383 1.749 20 30 EDEDLO Cc1cccnc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000878642107 597665268 /nfs/dbraw/zinc/66/52/68/597665268.db2.gz WRKRNRCTSJIEBI-HNNXBMFYSA-N 1 2 337.383 1.749 20 30 EDEDLO CC(C)CC(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000879761012 597714541 /nfs/dbraw/zinc/71/45/41/597714541.db2.gz RYUPESOSALAXJT-OAHLLOKOSA-N 1 2 334.464 1.518 20 30 EDEDLO CC(C)CC(=O)N1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000879761012 597714543 /nfs/dbraw/zinc/71/45/43/597714543.db2.gz RYUPESOSALAXJT-OAHLLOKOSA-N 1 2 334.464 1.518 20 30 EDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000879766483 597718086 /nfs/dbraw/zinc/71/80/86/597718086.db2.gz YUEJOEQYRFMMOT-HIFRSBDPSA-N 1 2 341.333 1.735 20 30 EDEDLO C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000879766483 597718088 /nfs/dbraw/zinc/71/80/88/597718088.db2.gz YUEJOEQYRFMMOT-HIFRSBDPSA-N 1 2 341.333 1.735 20 30 EDEDLO COC(=O)c1cccc(C[NH+]2CCC([C@@H](F)C(N)=O)CC2)c1C#N ZINC000879041908 597796597 /nfs/dbraw/zinc/79/65/97/597796597.db2.gz LRJIPHQNUFOXIF-OAHLLOKOSA-N 1 2 333.363 1.380 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000880089931 597838087 /nfs/dbraw/zinc/83/80/87/597838087.db2.gz DCNGBDWFCHWXLT-LBPRGKRZSA-N 1 2 347.415 1.635 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000880089931 597838089 /nfs/dbraw/zinc/83/80/89/597838089.db2.gz DCNGBDWFCHWXLT-LBPRGKRZSA-N 1 2 347.415 1.635 20 30 EDEDLO C=CC[C@H](C(=O)OC)[N@H+]1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 ZINC000879267281 597869844 /nfs/dbraw/zinc/86/98/44/597869844.db2.gz YFTYKPZNJWZSGF-ARFHVFGLSA-N 1 2 331.416 1.609 20 30 EDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 ZINC000879267281 597869846 /nfs/dbraw/zinc/86/98/46/597869846.db2.gz YFTYKPZNJWZSGF-ARFHVFGLSA-N 1 2 331.416 1.609 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000884062041 597983122 /nfs/dbraw/zinc/98/31/22/597983122.db2.gz DTGRGASPUGRCFK-STQMWFEESA-N 1 2 338.404 1.925 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000884099449 597994999 /nfs/dbraw/zinc/99/49/99/597994999.db2.gz OLKOILMDYGHYIJ-HOTGVXAUSA-N 1 2 334.391 1.806 20 30 EDEDLO C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)N(C)CCC#N)CC1 ZINC000882616066 598003512 /nfs/dbraw/zinc/00/35/12/598003512.db2.gz CLEYESIUJHLJFP-OAHLLOKOSA-N 1 2 336.461 1.455 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000884193915 598022385 /nfs/dbraw/zinc/02/23/85/598022385.db2.gz SZBGADVLYNSFPJ-AWEZNQCLSA-N 1 2 332.404 1.457 20 30 EDEDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000882766837 598049332 /nfs/dbraw/zinc/04/93/32/598049332.db2.gz SJMHKUZMPFCDHO-NSHDSACASA-N 1 2 347.362 1.950 20 30 EDEDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000882766837 598049334 /nfs/dbraw/zinc/04/93/34/598049334.db2.gz SJMHKUZMPFCDHO-NSHDSACASA-N 1 2 347.362 1.950 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CCc2ccccc2N1 ZINC000884385880 598088664 /nfs/dbraw/zinc/08/86/64/598088664.db2.gz XTAWCSUHUCPSOC-GJZGRUSLSA-N 1 2 331.416 1.366 20 30 EDEDLO C[C@H](CNS(=O)(=O)Cc1csc(C#N)c1)C[NH+]1CCOCC1 ZINC000914136100 695145575 /nfs/dbraw/zinc/14/55/75/695145575.db2.gz IZKHYAWTHAHLCM-GFCCVEGCSA-N 1 2 343.474 1.007 20 30 EDEDLO CCn1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC000993175631 695729962 /nfs/dbraw/zinc/72/99/62/695729962.db2.gz ZXEZRLKTSIKOTA-CJNGLKHVSA-N 1 2 340.431 1.886 20 30 EDEDLO CCn1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)n1 ZINC000993175631 695729963 /nfs/dbraw/zinc/72/99/63/695729963.db2.gz ZXEZRLKTSIKOTA-CJNGLKHVSA-N 1 2 340.431 1.886 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccnc3n[nH]nc32)[C@@H]1C ZINC000993575288 696228534 /nfs/dbraw/zinc/22/85/34/696228534.db2.gz NMLGDGMGPKATSR-JQWIXIFHSA-N 1 2 334.811 1.688 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccnc3n[nH]nc32)[C@@H]1C ZINC000993575288 696228537 /nfs/dbraw/zinc/22/85/37/696228537.db2.gz NMLGDGMGPKATSR-JQWIXIFHSA-N 1 2 334.811 1.688 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000993575143 696229722 /nfs/dbraw/zinc/22/97/22/696229722.db2.gz FPDXPXAEQUBGJN-LJQANCHMSA-N 1 2 344.459 1.691 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3ccn(C)n3)[C@@H]2C)c1 ZINC000993768849 696365321 /nfs/dbraw/zinc/36/53/21/696365321.db2.gz FZLZMKWEMQMXLP-KDOFPFPSSA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccn(C)n3)[C@@H]2C)c1 ZINC000993768849 696365324 /nfs/dbraw/zinc/36/53/24/696365324.db2.gz FZLZMKWEMQMXLP-KDOFPFPSSA-N 1 2 337.427 1.579 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H]1C ZINC000994013628 696492447 /nfs/dbraw/zinc/49/24/47/696492447.db2.gz WUHZADBRJGANJQ-OLZOCXBDSA-N 1 2 338.839 1.598 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H]1C ZINC000994013628 696492448 /nfs/dbraw/zinc/49/24/48/696492448.db2.gz WUHZADBRJGANJQ-OLZOCXBDSA-N 1 2 338.839 1.598 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000994199084 696576062 /nfs/dbraw/zinc/57/60/62/696576062.db2.gz SNALCPWBCJMPLL-CYBMUJFWSA-N 1 2 341.415 1.217 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000994199084 696576063 /nfs/dbraw/zinc/57/60/63/696576063.db2.gz SNALCPWBCJMPLL-CYBMUJFWSA-N 1 2 341.415 1.217 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H]1C ZINC000994405735 696828977 /nfs/dbraw/zinc/82/89/77/696828977.db2.gz VWEDWLOQEVELQL-GXTWGEPZSA-N 1 2 342.871 1.499 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@@H]1C ZINC000994405735 696828981 /nfs/dbraw/zinc/82/89/81/696828981.db2.gz VWEDWLOQEVELQL-GXTWGEPZSA-N 1 2 342.871 1.499 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000352252652 697140982 /nfs/dbraw/zinc/14/09/82/697140982.db2.gz TXFBBPBZZNOJEO-GJZGRUSLSA-N 1 2 332.448 1.987 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2cnn(C)c2)C1 ZINC001031538884 697221958 /nfs/dbraw/zinc/22/19/58/697221958.db2.gz MBKHQHPHGMENMC-UHFFFAOYSA-N 1 2 339.399 1.162 20 30 EDEDLO Cc1ncc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC001031581688 697276996 /nfs/dbraw/zinc/27/69/96/697276996.db2.gz HUTGDUJEIYHCAW-UHFFFAOYSA-N 1 2 326.375 1.571 20 30 EDEDLO CC[N@H+]1[C@H](C)CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1C ZINC000919580661 697299881 /nfs/dbraw/zinc/29/98/81/697299881.db2.gz QAURCLJMDBQRKS-PHIMTYICSA-N 1 2 343.399 1.940 20 30 EDEDLO CC[N@@H+]1[C@H](C)CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1C ZINC000919580661 697299882 /nfs/dbraw/zinc/29/98/82/697299882.db2.gz QAURCLJMDBQRKS-PHIMTYICSA-N 1 2 343.399 1.940 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000994610434 697303509 /nfs/dbraw/zinc/30/35/09/697303509.db2.gz IWYIFXMJGIENAT-INIZCTEOSA-N 1 2 348.406 1.068 20 30 EDEDLO COc1ncccc1C[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031620470 697338837 /nfs/dbraw/zinc/33/88/37/697338837.db2.gz JKRGRROEZGFLIQ-UHFFFAOYSA-N 1 2 325.372 1.152 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)ncn1 ZINC001031620138 697338995 /nfs/dbraw/zinc/33/89/95/697338995.db2.gz ZPWNDSVIZPCURG-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO CCn1ccnc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031636200 697384133 /nfs/dbraw/zinc/38/41/33/697384133.db2.gz OZFWOZXYLQDPSQ-UHFFFAOYSA-N 1 2 340.402 1.755 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)C3CCC(O)CC3)C2)c(F)c1 ZINC001031640104 697388993 /nfs/dbraw/zinc/38/89/93/697388993.db2.gz IOZWOHFXDDIZOC-UHFFFAOYSA-N 1 2 345.418 1.796 20 30 EDEDLO C#CC[C@H](CO)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000920835283 697484075 /nfs/dbraw/zinc/48/40/75/697484075.db2.gz FHHBKGFOCMDNGY-CVEARBPZSA-N 1 2 326.400 1.387 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)cc1 ZINC000938397944 697979077 /nfs/dbraw/zinc/97/90/77/697979077.db2.gz ZGZZCYSRAIUFAX-INIZCTEOSA-N 1 2 336.395 1.273 20 30 EDEDLO C[C@@H]1C[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CCO1 ZINC001032076420 698194622 /nfs/dbraw/zinc/19/46/22/698194622.db2.gz DAIQIDVZBKRBHG-GDBMZVCRSA-N 1 2 327.428 1.921 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnc2n1CCC2 ZINC001031742075 698319506 /nfs/dbraw/zinc/31/95/06/698319506.db2.gz SGHPTQXREBCVSQ-UHFFFAOYSA-N 1 2 334.423 1.543 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943672851 698673179 /nfs/dbraw/zinc/67/31/79/698673179.db2.gz AHILPKZZZPUURL-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943672851 698673181 /nfs/dbraw/zinc/67/31/81/698673181.db2.gz AHILPKZZZPUURL-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1NC(=O)c1nc[nH]n1 ZINC000943672851 698673186 /nfs/dbraw/zinc/67/31/86/698673186.db2.gz AHILPKZZZPUURL-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1NC(=O)c1nc[nH]n1 ZINC000943672851 698673191 /nfs/dbraw/zinc/67/31/91/698673191.db2.gz AHILPKZZZPUURL-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)C1 ZINC000941480549 701553323 /nfs/dbraw/zinc/55/33/23/701553323.db2.gz OAJQQSNBOMVNDN-UHFFFAOYSA-N 1 2 335.810 1.554 20 30 EDEDLO COC1CC(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001031754172 698976650 /nfs/dbraw/zinc/97/66/50/698976650.db2.gz PQSZABRXKBUSCG-UHFFFAOYSA-N 1 2 330.403 1.650 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3csnn3)C2)c1 ZINC000939108290 699175833 /nfs/dbraw/zinc/17/58/33/699175833.db2.gz OLKUQOFIAUXMLN-ABAIWWIYSA-N 1 2 327.413 1.165 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(CC)cn3)CC2)C1 ZINC000941574666 701581677 /nfs/dbraw/zinc/58/16/77/701581677.db2.gz ODHVOCDMHMXSRM-UHFFFAOYSA-N 1 2 340.471 1.038 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(Cl)cs3)CC2)C1 ZINC000941593144 701586512 /nfs/dbraw/zinc/58/65/12/701586512.db2.gz OLAOMYHXDBZLHU-UHFFFAOYSA-N 1 2 337.876 1.867 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3sc(C)cc3OC)CC2)C1 ZINC000941595864 701587491 /nfs/dbraw/zinc/58/74/91/701587491.db2.gz QHUTXMWWTYQQSL-UHFFFAOYSA-N 1 2 347.484 1.530 20 30 EDEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000939306675 699493915 /nfs/dbraw/zinc/49/39/15/699493915.db2.gz KENIPRHVAJFKPU-OAHLLOKOSA-N 1 2 330.432 1.758 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ncoc3C3CC3)CC2)C1 ZINC000941630500 701600084 /nfs/dbraw/zinc/60/00/84/701600084.db2.gz PQEMRIHJDLYMIZ-UHFFFAOYSA-N 1 2 328.416 1.017 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3ccc(C)cc3)CC2)C1 ZINC000941641988 701608775 /nfs/dbraw/zinc/60/87/75/701608775.db2.gz IUCHRMRJAFMHOI-UHFFFAOYSA-N 1 2 339.483 1.734 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4cnccc43)CC2)C1 ZINC000941666230 701620803 /nfs/dbraw/zinc/62/08/03/701620803.db2.gz RGRKCGIIEKJHAI-UHFFFAOYSA-N 1 2 334.423 1.310 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3(C)C(C)(C)C3(C)C)CC2)C1 ZINC000941684879 701629946 /nfs/dbraw/zinc/62/99/46/701629946.db2.gz DVEXBBLMCAUDIW-UHFFFAOYSA-N 1 2 331.504 1.910 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001031907815 700877250 /nfs/dbraw/zinc/87/72/50/700877250.db2.gz IUQOHPMKWDEEHF-PIIMJCKOSA-N 1 2 344.842 1.632 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)c1 ZINC000941015403 701055694 /nfs/dbraw/zinc/05/56/94/701055694.db2.gz OEAYQKOFKHKBGJ-KRWDZBQOSA-N 1 2 349.438 1.883 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)c1 ZINC000941015403 701055695 /nfs/dbraw/zinc/05/56/95/701055695.db2.gz OEAYQKOFKHKBGJ-KRWDZBQOSA-N 1 2 349.438 1.883 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccon2)CC1(C)C ZINC000941038131 701060865 /nfs/dbraw/zinc/06/08/65/701060865.db2.gz BMPPJVGOKOKVBN-PMPSAXMXSA-N 1 2 333.432 1.982 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC000941038131 701060867 /nfs/dbraw/zinc/06/08/67/701060867.db2.gz BMPPJVGOKOKVBN-PMPSAXMXSA-N 1 2 333.432 1.982 20 30 EDEDLO Cc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)cnn1C ZINC001032280682 701310021 /nfs/dbraw/zinc/31/00/21/701310021.db2.gz SRLZAEFZLJZUED-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO Cc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)cnn1C ZINC001032280682 701310022 /nfs/dbraw/zinc/31/00/22/701310022.db2.gz SRLZAEFZLJZUED-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC000946001214 701354011 /nfs/dbraw/zinc/35/40/11/701354011.db2.gz ZJAMHONSSKDFJK-DLBZAZTESA-N 1 2 340.427 1.136 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@@H]1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000941232950 701406795 /nfs/dbraw/zinc/40/67/95/701406795.db2.gz RSJKTALHXFFUND-INIZCTEOSA-N 1 2 346.500 1.846 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@@H]1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000941232950 701406796 /nfs/dbraw/zinc/40/67/96/701406796.db2.gz RSJKTALHXFFUND-INIZCTEOSA-N 1 2 346.500 1.846 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cc(C4CC4)no3)C2)cn1 ZINC001032138444 701905908 /nfs/dbraw/zinc/90/59/08/701905908.db2.gz ZCWUQEPQOXORKU-UHFFFAOYSA-N 1 2 336.395 1.790 20 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/nfs/dbraw/zinc/12/01/85/702120185.db2.gz OXINVGJCNGAHFR-INIZCTEOSA-N 1 2 339.395 1.677 20 30 EDEDLO CCn1cc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)nn1 ZINC000941929359 702155543 /nfs/dbraw/zinc/15/55/43/702155543.db2.gz LJZDXNKBYPQNNJ-WFASDCNBSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1cc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)nn1 ZINC000941929359 702155548 /nfs/dbraw/zinc/15/55/48/702155548.db2.gz LJZDXNKBYPQNNJ-WFASDCNBSA-N 1 2 341.419 1.138 20 30 EDEDLO CCc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)o1 ZINC000941931534 702162529 /nfs/dbraw/zinc/16/25/29/702162529.db2.gz ZLYCDFNMTFMBMP-YPMHNXCESA-N 1 2 342.403 1.472 20 30 EDEDLO CCc1nnc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)o1 ZINC000941931534 702162533 /nfs/dbraw/zinc/16/25/33/702162533.db2.gz ZLYCDFNMTFMBMP-YPMHNXCESA-N 1 2 342.403 1.472 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031987427 702418602 /nfs/dbraw/zinc/41/86/02/702418602.db2.gz NOJHJFJSMPBURO-AEFFLSMTSA-N 1 2 343.402 1.836 20 30 EDEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccnc2C)nn1 ZINC001032671598 706675763 /nfs/dbraw/zinc/67/57/63/706675763.db2.gz XNWYMOIIVQYPGI-HOTGVXAUSA-N 1 2 338.415 1.266 20 30 EDEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccnc2C)nn1 ZINC001032671598 706675766 /nfs/dbraw/zinc/67/57/66/706675766.db2.gz XNWYMOIIVQYPGI-HOTGVXAUSA-N 1 2 338.415 1.266 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000942217035 702719443 /nfs/dbraw/zinc/71/94/43/702719443.db2.gz VESKDTAYFWDGCU-ABAIWWIYSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000942217035 702719444 /nfs/dbraw/zinc/71/94/44/702719444.db2.gz VESKDTAYFWDGCU-ABAIWWIYSA-N 1 2 342.378 1.456 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942216171 702730809 /nfs/dbraw/zinc/73/08/09/702730809.db2.gz KLSXHCSHJMPRGV-WCBMZHEXSA-N 1 2 328.214 1.154 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942216171 702730810 /nfs/dbraw/zinc/73/08/10/702730810.db2.gz KLSXHCSHJMPRGV-WCBMZHEXSA-N 1 2 328.214 1.154 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000942216521 702731259 /nfs/dbraw/zinc/73/12/59/702731259.db2.gz NJBSNLAMDUVAOT-MFKMUULPSA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000942216521 702731261 /nfs/dbraw/zinc/73/12/61/702731261.db2.gz NJBSNLAMDUVAOT-MFKMUULPSA-N 1 2 330.417 1.378 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnc(C)cn2)C1 ZINC001032047784 703296019 /nfs/dbraw/zinc/29/60/19/703296019.db2.gz MRWUYMQKTQTQER-HFTRVMKXSA-N 1 2 344.459 1.875 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](O)C(C)C)cc1C#N ZINC001032386770 703371902 /nfs/dbraw/zinc/37/19/02/703371902.db2.gz SSTMELPSKJDAQP-XYJFISCASA-N 1 2 343.427 1.369 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](O)C(C)C)cc1C#N ZINC001032386770 703371903 /nfs/dbraw/zinc/37/19/03/703371903.db2.gz SSTMELPSKJDAQP-XYJFISCASA-N 1 2 343.427 1.369 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2sccc2F)C1=O ZINC001032390041 703377067 /nfs/dbraw/zinc/37/70/67/703377067.db2.gz ZKZDPDAVXREDJV-SGMGOOAPSA-N 1 2 349.431 1.573 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2sccc2F)C1=O ZINC001032390041 703377069 /nfs/dbraw/zinc/37/70/69/703377069.db2.gz ZKZDPDAVXREDJV-SGMGOOAPSA-N 1 2 349.431 1.573 20 30 EDEDLO CCN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000942863694 703377127 /nfs/dbraw/zinc/37/71/27/703377127.db2.gz COCKPPJIPQODFN-ZIAGYGMSSA-N 1 2 339.399 1.557 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)(F)F)CCOCC1 ZINC001032410330 703439997 /nfs/dbraw/zinc/43/99/97/703439997.db2.gz WWMYLXYDMGSRKM-STQMWFEESA-N 1 2 330.350 1.654 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)(F)F)CCOCC1 ZINC001032410330 703440000 /nfs/dbraw/zinc/44/00/00/703440000.db2.gz WWMYLXYDMGSRKM-STQMWFEESA-N 1 2 330.350 1.654 20 30 EDEDLO C=CCOc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](CC)C(N)=O ZINC001032483865 703734953 /nfs/dbraw/zinc/73/49/53/703734953.db2.gz LCXKFBKRPWTMDX-OFQRWUPVSA-N 1 2 343.427 1.414 20 30 EDEDLO C=CCOc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](CC)C(N)=O ZINC001032483865 703734954 /nfs/dbraw/zinc/73/49/54/703734954.db2.gz LCXKFBKRPWTMDX-OFQRWUPVSA-N 1 2 343.427 1.414 20 30 EDEDLO Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)c3ccc(C#N)[nH]3)CC2)o1 ZINC000997550728 703816710 /nfs/dbraw/zinc/81/67/10/703816710.db2.gz ULTPXGKPINQABM-NSHDSACASA-N 1 2 342.403 1.608 20 30 EDEDLO COc1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)nc1 ZINC001032511440 703876293 /nfs/dbraw/zinc/87/62/93/703876293.db2.gz OQJBHIJAXNVYOX-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO COc1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)nc1 ZINC001032511440 703876297 /nfs/dbraw/zinc/87/62/97/703876297.db2.gz OQJBHIJAXNVYOX-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnn3c2CCC3)CC1 ZINC001004458468 704452354 /nfs/dbraw/zinc/45/23/54/704452354.db2.gz MVLQDFTXPSHZON-MRXNPFEDSA-N 1 2 327.432 1.669 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnn3c2CCC3)CC1 ZINC001004458468 704452355 /nfs/dbraw/zinc/45/23/55/704452355.db2.gz MVLQDFTXPSHZON-MRXNPFEDSA-N 1 2 327.432 1.669 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC001032226315 704792758 /nfs/dbraw/zinc/79/27/58/704792758.db2.gz BSOZIPUBQUHZFH-UHFFFAOYSA-N 1 2 331.807 1.681 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC000944971477 704849273 /nfs/dbraw/zinc/84/92/73/704849273.db2.gz ZSSCMEFHSORKFF-UHFFFAOYSA-N 1 2 330.432 1.546 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000186313627 705262123 /nfs/dbraw/zinc/26/21/23/705262123.db2.gz VITWAXOKNMGMHC-MRXNPFEDSA-N 1 2 346.475 1.958 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]Cc2ccon2)C1 ZINC000998257449 705613619 /nfs/dbraw/zinc/61/36/19/705613619.db2.gz DYHGJRWGZMRBOQ-KBPBESRZSA-N 1 2 341.333 1.957 20 30 EDEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](C(F)(F)F)[C@H](NCC#N)C1 ZINC000998275993 705660064 /nfs/dbraw/zinc/66/00/64/705660064.db2.gz KYGPURSCPPPATM-NWDGAFQWSA-N 1 2 343.353 1.245 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2ncc(C)o2)C1 ZINC000998922524 706350421 /nfs/dbraw/zinc/35/04/21/706350421.db2.gz HKSGBNZJWLOPFG-GPANFISMSA-N 1 2 330.432 1.160 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2ncc(C)o2)C1 ZINC000998922524 706350424 /nfs/dbraw/zinc/35/04/24/706350424.db2.gz HKSGBNZJWLOPFG-GPANFISMSA-N 1 2 330.432 1.160 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC000999390811 706904219 /nfs/dbraw/zinc/90/42/19/706904219.db2.gz IETRBNIERASNOL-WMZOPIPTSA-N 1 2 344.459 1.470 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(OC)ccnc2OC)C1 ZINC001033261202 707274916 /nfs/dbraw/zinc/27/49/16/707274916.db2.gz GVROAKYUAJHNPP-LBPRGKRZSA-N 1 2 339.823 1.998 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(OC)ccnc2OC)C1 ZINC001033261202 707274920 /nfs/dbraw/zinc/27/49/20/707274920.db2.gz GVROAKYUAJHNPP-LBPRGKRZSA-N 1 2 339.823 1.998 20 30 EDEDLO Cc1n[nH]nc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033318731 707513367 /nfs/dbraw/zinc/51/33/67/707513367.db2.gz ORXCYVZHRWWAAX-AWEZNQCLSA-N 1 2 342.378 1.470 20 30 EDEDLO Cc1n[nH]nc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033318731 707513371 /nfs/dbraw/zinc/51/33/71/707513371.db2.gz ORXCYVZHRWWAAX-AWEZNQCLSA-N 1 2 342.378 1.470 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(OCC2CC2)cn1 ZINC001032727748 707722350 /nfs/dbraw/zinc/72/23/50/707722350.db2.gz FAESURDYKJJLMO-GJZGRUSLSA-N 1 2 326.400 1.187 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(OCC2CC2)cn1 ZINC001032727748 707722352 /nfs/dbraw/zinc/72/23/52/707722352.db2.gz FAESURDYKJJLMO-GJZGRUSLSA-N 1 2 326.400 1.187 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cnc(C)s2)cn1 ZINC001032738049 707763480 /nfs/dbraw/zinc/76/34/80/707763480.db2.gz OSEUMHTZTCQVPY-HOTGVXAUSA-N 1 2 338.436 1.927 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cnc(C)s2)cn1 ZINC001032738049 707763482 /nfs/dbraw/zinc/76/34/82/707763482.db2.gz OSEUMHTZTCQVPY-HOTGVXAUSA-N 1 2 338.436 1.927 20 30 EDEDLO C=C1CCC(C(=O)N2CC[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001004991138 707855223 /nfs/dbraw/zinc/85/52/23/707855223.db2.gz MWFIECMVSKZLHV-NVXWUHKLSA-N 1 2 344.459 1.983 20 30 EDEDLO CN(C(=O)c1cnon1)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001033524945 708139439 /nfs/dbraw/zinc/13/94/39/708139439.db2.gz FWZPRBIIGFASAH-HNNXBMFYSA-N 1 2 344.802 1.921 20 30 EDEDLO CN(C(=O)c1cnon1)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001033524945 708139440 /nfs/dbraw/zinc/13/94/40/708139440.db2.gz FWZPRBIIGFASAH-HNNXBMFYSA-N 1 2 344.802 1.921 20 30 EDEDLO CCn1ccnc1C[NH+]1CCC(N(C)C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001005260017 708417330 /nfs/dbraw/zinc/41/73/30/708417330.db2.gz MLENWHZMHCVSHP-UHFFFAOYSA-N 1 2 340.431 1.839 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033799219 708712093 /nfs/dbraw/zinc/71/20/93/708712093.db2.gz SNUKDFLCCGJOFL-AWEZNQCLSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033799219 708712095 /nfs/dbraw/zinc/71/20/95/708712095.db2.gz SNUKDFLCCGJOFL-AWEZNQCLSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033802559 708796480 /nfs/dbraw/zinc/79/64/80/708796480.db2.gz XAOXZSRKGZDLRV-OAHLLOKOSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033802559 708796482 /nfs/dbraw/zinc/79/64/82/708796482.db2.gz XAOXZSRKGZDLRV-OAHLLOKOSA-N 1 2 327.388 1.919 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001005406593 708906003 /nfs/dbraw/zinc/90/60/03/708906003.db2.gz PKTVUJHBDURITE-SJORKVTESA-N 1 2 347.463 1.219 20 30 EDEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001061088678 708966970 /nfs/dbraw/zinc/96/69/70/708966970.db2.gz CSZUHLLWEJUWDZ-HUUCEWRRSA-N 1 2 344.459 1.861 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001061094589 709030105 /nfs/dbraw/zinc/03/01/05/709030105.db2.gz GHMUIOIVOUVXSP-OLZOCXBDSA-N 1 2 339.403 1.164 20 30 EDEDLO CCn1nc(C)c(C[NH+]2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001002620602 709179217 /nfs/dbraw/zinc/17/92/17/709179217.db2.gz NQZQPFQOFFTUIT-UHFFFAOYSA-N 1 2 341.419 1.201 20 30 EDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001061112634 709200350 /nfs/dbraw/zinc/20/03/50/709200350.db2.gz HWEUKMKWPIJVRQ-OAHLLOKOSA-N 1 2 343.431 1.274 20 30 EDEDLO CC#CC[NH+]1CCC(N(C)C(=O)c2cc(-c3ccn(C)c3)[nH]n2)CC1 ZINC001005495138 709203915 /nfs/dbraw/zinc/20/39/15/709203915.db2.gz ZAUSCPDWEFAPAL-UHFFFAOYSA-N 1 2 339.443 1.975 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cnnc(C)c2)CC1 ZINC001002686818 709277941 /nfs/dbraw/zinc/27/79/41/709277941.db2.gz CAEQFFOIONSJHV-UHFFFAOYSA-N 1 2 339.237 1.888 20 30 EDEDLO CCN(C(=O)c1nonc1C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001034053838 709283613 /nfs/dbraw/zinc/28/36/13/709283613.db2.gz CCFKCXAMNFNPMQ-INIZCTEOSA-N 1 2 339.399 1.986 20 30 EDEDLO CCN(C(=O)c1nonc1C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001034053838 709283616 /nfs/dbraw/zinc/28/36/16/709283616.db2.gz CCFKCXAMNFNPMQ-INIZCTEOSA-N 1 2 339.399 1.986 20 30 EDEDLO Cc1nnc([C@@H](C)[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001034165512 709439117 /nfs/dbraw/zinc/43/91/17/709439117.db2.gz WTXBHIIFTXLGJO-BXUZGUMPSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1nnc([C@@H](C)[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001034165512 709439120 /nfs/dbraw/zinc/43/91/20/709439120.db2.gz WTXBHIIFTXLGJO-BXUZGUMPSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1nnc([C@H](C)[N@@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001034166458 709440001 /nfs/dbraw/zinc/44/00/01/709440001.db2.gz XORSHZQFDODXJI-FZMZJTMJSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1nnc([C@H](C)[N@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001034166458 709440004 /nfs/dbraw/zinc/44/00/04/709440004.db2.gz XORSHZQFDODXJI-FZMZJTMJSA-N 1 2 342.403 1.923 20 30 EDEDLO COc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001034171193 709484433 /nfs/dbraw/zinc/48/44/33/709484433.db2.gz KSBRHFKTLWTQCM-CYBMUJFWSA-N 1 2 343.387 1.667 20 30 EDEDLO COc1cc(C[N@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001034171193 709484436 /nfs/dbraw/zinc/48/44/36/709484436.db2.gz KSBRHFKTLWTQCM-CYBMUJFWSA-N 1 2 343.387 1.667 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](N(C)c2ccncc2C#N)C1 ZINC001061220367 709770080 /nfs/dbraw/zinc/77/00/80/709770080.db2.gz BAVQUEJICQEODM-HNNXBMFYSA-N 1 2 338.415 1.655 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001034339625 709802181 /nfs/dbraw/zinc/80/21/81/709802181.db2.gz JRRLVFLJYHGRDO-NEPJUHHUSA-N 1 2 344.253 1.002 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001034339625 709802187 /nfs/dbraw/zinc/80/21/87/709802187.db2.gz JRRLVFLJYHGRDO-NEPJUHHUSA-N 1 2 344.253 1.002 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccoc2CC(N)=O)C1 ZINC001034373788 709864818 /nfs/dbraw/zinc/86/48/18/709864818.db2.gz VPOITCPZFHGHCO-GFCCVEGCSA-N 1 2 339.823 1.644 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccoc2CC(N)=O)C1 ZINC001034373788 709864821 /nfs/dbraw/zinc/86/48/21/709864821.db2.gz VPOITCPZFHGHCO-GFCCVEGCSA-N 1 2 339.823 1.644 20 30 EDEDLO CN(c1cnc(C#N)cn1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001061244770 709925332 /nfs/dbraw/zinc/92/53/32/709925332.db2.gz PXZCYIGTWZDJAS-OAHLLOKOSA-N 1 2 339.403 1.062 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nonc2C)C1 ZINC001034403536 709950667 /nfs/dbraw/zinc/95/06/67/709950667.db2.gz IZBXHPVOSVDKKJ-LZWOXQAQSA-N 1 2 334.420 1.440 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nonc2C)C1 ZINC001034403536 709950671 /nfs/dbraw/zinc/95/06/71/709950671.db2.gz IZBXHPVOSVDKKJ-LZWOXQAQSA-N 1 2 334.420 1.440 20 30 EDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CC[C@H](NCC#N)CC1 ZINC001034647676 710324257 /nfs/dbraw/zinc/32/42/57/710324257.db2.gz VJOLTFCEHVBQMT-QBPKDAKJSA-N 1 2 341.459 1.694 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nnc(CC)o2)CC1 ZINC001003652446 710470047 /nfs/dbraw/zinc/47/00/47/710470047.db2.gz NIIXGIKKYBCMAD-YUELXQCFSA-N 1 2 348.447 1.865 20 30 EDEDLO CN(C(=O)c1cn[nH]c1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032925580 710817162 /nfs/dbraw/zinc/81/71/62/710817162.db2.gz KXJVSMJLAOTFHV-OAHLLOKOSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1cn[nH]c1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032925580 710817165 /nfs/dbraw/zinc/81/71/65/710817165.db2.gz KXJVSMJLAOTFHV-OAHLLOKOSA-N 1 2 327.363 1.767 20 30 EDEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1COCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001061798019 710969167 /nfs/dbraw/zinc/96/91/67/710969167.db2.gz TUFTUSPTVGTHCX-HUUCEWRRSA-N 1 2 348.447 1.207 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001061798290 710973912 /nfs/dbraw/zinc/97/39/12/710973912.db2.gz XPHKUCOMRQKAKM-GOEBONIOSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001061798290 710973914 /nfs/dbraw/zinc/97/39/14/710973914.db2.gz XPHKUCOMRQKAKM-GOEBONIOSA-N 1 2 348.447 1.288 20 30 EDEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001032988098 711123338 /nfs/dbraw/zinc/12/33/38/711123338.db2.gz XYDQJGDODGICBT-MRXNPFEDSA-N 1 2 338.415 1.376 20 30 EDEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001032988098 711123342 /nfs/dbraw/zinc/12/33/42/711123342.db2.gz XYDQJGDODGICBT-MRXNPFEDSA-N 1 2 338.415 1.376 20 30 EDEDLO CN(C(=O)c1cn(C)cn1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033011297 711240102 /nfs/dbraw/zinc/24/01/02/711240102.db2.gz WCGKJKMCCPVZEV-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1cn(C)cn1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033011297 711240104 /nfs/dbraw/zinc/24/01/04/711240104.db2.gz WCGKJKMCCPVZEV-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2noc3c2COCC3)CC1 ZINC001004181519 711623156 /nfs/dbraw/zinc/62/31/56/711623156.db2.gz IERUBCLTKVPVKG-UHFFFAOYSA-N 1 2 325.796 1.694 20 30 EDEDLO CN(C)c1ccc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)nc1 ZINC001004627261 712085191 /nfs/dbraw/zinc/08/51/91/712085191.db2.gz YCHMBXGKIPPALI-GOSISDBHSA-N 1 2 341.459 1.988 20 30 EDEDLO CN(C)c1ccc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)nc1 ZINC001004627261 712085192 /nfs/dbraw/zinc/08/51/92/712085192.db2.gz YCHMBXGKIPPALI-GOSISDBHSA-N 1 2 341.459 1.988 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3c(C)noc3C)C2)nn1 ZINC001033485082 712606024 /nfs/dbraw/zinc/60/60/24/712606024.db2.gz XAWONVGSNMJYEW-CQSZACIVSA-N 1 2 344.419 1.415 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C2)nn1 ZINC001033485082 712606025 /nfs/dbraw/zinc/60/60/25/712606025.db2.gz XAWONVGSNMJYEW-CQSZACIVSA-N 1 2 344.419 1.415 20 30 EDEDLO C[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329204745 539420264 /nfs/dbraw/zinc/42/02/64/539420264.db2.gz DCXCBEYAXRSFSE-XNIJJKJLSA-N 1 2 331.420 1.527 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)nc1 ZINC000561102040 306282405 /nfs/dbraw/zinc/28/24/05/306282405.db2.gz NIWVFCPRZQECAV-HUUCEWRRSA-N 1 2 337.383 1.392 20 30 EDEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)nc1 ZINC000563464233 306334858 /nfs/dbraw/zinc/33/48/58/306334858.db2.gz WGKCTOWOMYIBHM-UHFFFAOYSA-N 1 2 326.404 1.326 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000124635081 138328473 /nfs/dbraw/zinc/32/84/73/138328473.db2.gz CMBABRXFKBZZHO-HNNXBMFYSA-N 1 2 335.367 1.287 20 30 EDEDLO CCCS(=O)(=O)CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000132747871 138382102 /nfs/dbraw/zinc/38/21/02/138382102.db2.gz GIZSMPPUVNBPIY-UHFFFAOYSA-N 1 2 335.473 1.895 20 30 EDEDLO CCCS(=O)(=O)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000132747871 138382104 /nfs/dbraw/zinc/38/21/04/138382104.db2.gz GIZSMPPUVNBPIY-UHFFFAOYSA-N 1 2 335.473 1.895 20 30 EDEDLO N#Cc1ccc(CN2CCC[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000564344378 306359438 /nfs/dbraw/zinc/35/94/38/306359438.db2.gz QFHIMRFFMKBKKV-INIZCTEOSA-N 1 2 330.388 1.763 20 30 EDEDLO N#CC1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCOCC1 ZINC000109141225 237107622 /nfs/dbraw/zinc/10/76/22/237107622.db2.gz BDGBNKFELZBOSB-UHFFFAOYSA-N 1 2 329.400 1.778 20 30 EDEDLO C[C@](C#N)(NC(=O)CN1CC[NH+](Cc2cccnc2)CC1)C1CC1 ZINC000125332645 237160420 /nfs/dbraw/zinc/16/04/20/237160420.db2.gz LWKGBUFISWVAKD-GOSISDBHSA-N 1 2 327.432 1.008 20 30 EDEDLO COCC[N@H+](CC(=O)Nc1cc(C)on1)Cc1ccc(C#N)cc1 ZINC000069072241 201164916 /nfs/dbraw/zinc/16/49/16/201164916.db2.gz BVPMMXKPMIZPGG-UHFFFAOYSA-N 1 2 328.372 1.942 20 30 EDEDLO COCC[N@@H+](CC(=O)Nc1cc(C)on1)Cc1ccc(C#N)cc1 ZINC000069072241 201164919 /nfs/dbraw/zinc/16/49/19/201164919.db2.gz BVPMMXKPMIZPGG-UHFFFAOYSA-N 1 2 328.372 1.942 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000274505351 201269505 /nfs/dbraw/zinc/26/95/05/201269505.db2.gz UBBNEJCWWIJPIB-HNNXBMFYSA-N 1 2 345.443 1.420 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000274505351 201269509 /nfs/dbraw/zinc/26/95/09/201269509.db2.gz UBBNEJCWWIJPIB-HNNXBMFYSA-N 1 2 345.443 1.420 20 30 EDEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277357000 201301564 /nfs/dbraw/zinc/30/15/64/201301564.db2.gz GTFOGMDFQVADQV-UHFFFAOYSA-N 1 2 345.418 1.835 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000567421684 306451220 /nfs/dbraw/zinc/45/12/20/306451220.db2.gz UASAUMZSPRUIJM-AWEZNQCLSA-N 1 2 339.403 1.070 20 30 EDEDLO Cc1nc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)s1 ZINC000157559054 205216824 /nfs/dbraw/zinc/21/68/24/205216824.db2.gz GXLGQPLXRNSCCC-UHFFFAOYSA-N 1 2 336.461 1.377 20 30 EDEDLO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000129781746 205210251 /nfs/dbraw/zinc/21/02/51/205210251.db2.gz HRHNXRFMIPTRHS-UHFFFAOYSA-N 1 2 327.475 1.914 20 30 EDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000157629740 205232591 /nfs/dbraw/zinc/23/25/91/205232591.db2.gz LDZZVJBPLKHZOJ-CABCVRRESA-N 1 2 346.431 1.434 20 30 EDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000157629740 205232595 /nfs/dbraw/zinc/23/25/95/205232595.db2.gz LDZZVJBPLKHZOJ-CABCVRRESA-N 1 2 346.431 1.434 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2noc(CC)n2)CC1 ZINC000081162223 217366816 /nfs/dbraw/zinc/36/68/16/217366816.db2.gz GEVIOFINXIVYDI-UHFFFAOYSA-N 1 2 335.452 1.174 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246547710 139112427 /nfs/dbraw/zinc/11/24/27/139112427.db2.gz TVHIHRZYGCUELX-RKVPGOIHSA-N 1 2 342.443 1.538 20 30 EDEDLO CC[C@@H](C(N)=O)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000171076924 206655031 /nfs/dbraw/zinc/65/50/31/206655031.db2.gz NDRFVRCHJHQKBY-LBPRGKRZSA-N 1 2 329.360 1.192 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N2CC[C@@H](C3CCCC3)C2)CC1 ZINC000332000436 249926833 /nfs/dbraw/zinc/92/68/33/249926833.db2.gz XQFCYFRIUZHZSJ-MRXNPFEDSA-N 1 2 346.475 1.471 20 30 EDEDLO C=CCn1c(CCC(C)C)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000337874013 249971536 /nfs/dbraw/zinc/97/15/36/249971536.db2.gz XJPQNDCXECWOAO-UHFFFAOYSA-N 1 2 348.495 1.311 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)N(C)Cc2ccccc2OC)CC1 ZINC000341982485 250005797 /nfs/dbraw/zinc/00/57/97/250005797.db2.gz DRMIIVBOBIRUIG-UHFFFAOYSA-N 1 2 345.443 1.906 20 30 EDEDLO Cc1noc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)C2CCOCC2)n1 ZINC000345777917 250035650 /nfs/dbraw/zinc/03/56/50/250035650.db2.gz FXTCHWLNBNREOK-WBVHZDCISA-N 1 2 349.435 1.490 20 30 EDEDLO C=CC[C@H](C)NC(=O)N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000345006855 250023303 /nfs/dbraw/zinc/02/33/03/250023303.db2.gz DFFJRGFNVLYSJB-JDFRZJQESA-N 1 2 345.447 1.878 20 30 EDEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000346994355 250050368 /nfs/dbraw/zinc/05/03/68/250050368.db2.gz YURLSJFNRBVYMO-INIZCTEOSA-N 1 2 344.459 1.909 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1c[nH]c2ncccc12 ZINC000355303979 250112461 /nfs/dbraw/zinc/11/24/61/250112461.db2.gz ADQPLPNXRKONJF-UHFFFAOYSA-N 1 2 327.388 1.251 20 30 EDEDLO C=CC[N@H+](CCc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000360028142 250160118 /nfs/dbraw/zinc/16/01/18/250160118.db2.gz RECSBMGEUBLLNU-HNNXBMFYSA-N 1 2 337.441 1.675 20 30 EDEDLO C=CC[N@@H+](CCc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000360028142 250160124 /nfs/dbraw/zinc/16/01/24/250160124.db2.gz RECSBMGEUBLLNU-HNNXBMFYSA-N 1 2 337.441 1.675 20 30 EDEDLO C=CCCS(=O)(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000360872768 250167508 /nfs/dbraw/zinc/16/75/08/250167508.db2.gz RQLXLZHMGYKZND-UHFFFAOYSA-N 1 2 326.466 1.317 20 30 EDEDLO C=C[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000362371054 250181511 /nfs/dbraw/zinc/18/15/11/250181511.db2.gz PDSUVGAPRYMIKM-GFCCVEGCSA-N 1 2 331.420 1.157 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000373215389 250235366 /nfs/dbraw/zinc/23/53/66/250235366.db2.gz IUTXANNBNQSJBC-IRXDYDNUSA-N 1 2 338.496 1.389 20 30 EDEDLO Cc1noc(C2(C)CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)n1 ZINC000374741497 250271489 /nfs/dbraw/zinc/27/14/89/250271489.db2.gz AXGFXCVCVINCAV-QGZVFWFLSA-N 1 2 331.420 1.540 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000377840088 250294463 /nfs/dbraw/zinc/29/44/63/250294463.db2.gz PJQZMMVXQBOZAR-KBPBESRZSA-N 1 2 329.466 1.099 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000377840088 250294465 /nfs/dbraw/zinc/29/44/65/250294465.db2.gz PJQZMMVXQBOZAR-KBPBESRZSA-N 1 2 329.466 1.099 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000261690280 139217877 /nfs/dbraw/zinc/21/78/77/139217877.db2.gz KPTGQCBPXFAXLP-MRXNPFEDSA-N 1 2 328.397 1.288 20 30 EDEDLO COC(=O)[C@H](CNc1cc(C)[nH+]cc1C#N)Cc1ccc(O)cc1 ZINC000425221646 269712345 /nfs/dbraw/zinc/71/23/45/269712345.db2.gz FEGZPNYJDSJHMH-AWEZNQCLSA-N 1 2 325.368 1.833 20 30 EDEDLO C=CCn1cc(C[NH2+]Cc2c(C)nn(C)c2OCC(F)(F)F)nn1 ZINC000424171951 252152256 /nfs/dbraw/zinc/15/22/56/252152256.db2.gz MWBYVPXELNQQQZ-UHFFFAOYSA-N 1 2 344.341 1.737 20 30 EDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)nn1 ZINC000424298401 252192512 /nfs/dbraw/zinc/19/25/12/252192512.db2.gz SEUWIKSTYVTIJO-LBPRGKRZSA-N 1 2 335.433 1.223 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000424520408 252254925 /nfs/dbraw/zinc/25/49/25/252254925.db2.gz CJTFWWGDKWVRHW-UHFFFAOYSA-N 1 2 325.416 1.812 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)o1 ZINC000471825645 255016185 /nfs/dbraw/zinc/01/61/85/255016185.db2.gz KUYFVJPOFRLEAT-UHFFFAOYSA-N 1 2 343.387 1.302 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cn2c(=O)oc3ccc(F)cc32)CC1 ZINC000491068002 255118208 /nfs/dbraw/zinc/11/82/08/255118208.db2.gz LYMMXPCDDYEMGX-UHFFFAOYSA-N 1 2 331.347 1.153 20 30 EDEDLO C#CCNC(=O)C1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000491507709 255127362 /nfs/dbraw/zinc/12/73/62/255127362.db2.gz WMTBZOVOIAXVCC-UHFFFAOYSA-N 1 2 328.338 1.407 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2nccn2CC(F)(F)F)CC1 ZINC000491507709 255127364 /nfs/dbraw/zinc/12/73/64/255127364.db2.gz WMTBZOVOIAXVCC-UHFFFAOYSA-N 1 2 328.338 1.407 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000491542504 255129842 /nfs/dbraw/zinc/12/98/42/255129842.db2.gz ANRZFFUJCBXPRP-LLVKDONJSA-N 1 2 332.356 1.152 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000491542504 255129844 /nfs/dbraw/zinc/12/98/44/255129844.db2.gz ANRZFFUJCBXPRP-LLVKDONJSA-N 1 2 332.356 1.152 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000490657693 255098097 /nfs/dbraw/zinc/09/80/97/255098097.db2.gz ZKKSHKPNGFPYNW-IRXDYDNUSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000490657693 255098099 /nfs/dbraw/zinc/09/80/99/255098099.db2.gz ZKKSHKPNGFPYNW-IRXDYDNUSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000490657691 255098300 /nfs/dbraw/zinc/09/83/00/255098300.db2.gz ZKKSHKPNGFPYNW-DLBZAZTESA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000490657691 255098302 /nfs/dbraw/zinc/09/83/02/255098302.db2.gz ZKKSHKPNGFPYNW-DLBZAZTESA-N 1 2 333.476 1.487 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CSCC(=O)OCc2ccccc2)CC1 ZINC000490715590 255102432 /nfs/dbraw/zinc/10/24/32/255102432.db2.gz XOISFUDSYIZOAC-UHFFFAOYSA-N 1 2 346.452 1.240 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(SC)c2)CC1 ZINC000491699640 255142768 /nfs/dbraw/zinc/14/27/68/255142768.db2.gz CERXQAHSUJPIHJ-UHFFFAOYSA-N 1 2 345.468 1.306 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(SC)c2)CC1 ZINC000491699640 255142770 /nfs/dbraw/zinc/14/27/70/255142770.db2.gz CERXQAHSUJPIHJ-UHFFFAOYSA-N 1 2 345.468 1.306 20 30 EDEDLO COCCOc1cccc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000493488877 255211667 /nfs/dbraw/zinc/21/16/67/255211667.db2.gz HQAPABUQNNCLMP-BLGFXRMMSA-N 1 2 331.416 1.685 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC000495707266 255318731 /nfs/dbraw/zinc/31/87/31/255318731.db2.gz PYQFNDURHUPXCT-CHWSQXEVSA-N 1 2 336.436 1.394 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC000495707266 255318732 /nfs/dbraw/zinc/31/87/32/255318732.db2.gz PYQFNDURHUPXCT-CHWSQXEVSA-N 1 2 336.436 1.394 20 30 EDEDLO C=C[C@@H](C)ONC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496154865 255358064 /nfs/dbraw/zinc/35/80/64/255358064.db2.gz YYDMGZACZAUTJN-CHWSQXEVSA-N 1 2 342.440 1.343 20 30 EDEDLO C=C[C@@H](C)ONC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496154865 255358065 /nfs/dbraw/zinc/35/80/65/255358065.db2.gz YYDMGZACZAUTJN-CHWSQXEVSA-N 1 2 342.440 1.343 20 30 EDEDLO C[C@H](NC(=O)CSc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000264272909 139392303 /nfs/dbraw/zinc/39/23/03/139392303.db2.gz NUMXRLZSTBNECK-KBPBESRZSA-N 1 2 333.457 1.876 20 30 EDEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000339728835 142135995 /nfs/dbraw/zinc/13/59/95/142135995.db2.gz DEQRQZVOLKSRFQ-SFHVURJKSA-N 1 2 345.443 1.752 20 30 EDEDLO CCOC(=O)CN(C(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000459461056 285725500 /nfs/dbraw/zinc/72/55/00/285725500.db2.gz JYZZIPKHFVYFCL-GDBMZVCRSA-N 1 2 329.400 1.865 20 30 EDEDLO COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000345679398 143120560 /nfs/dbraw/zinc/12/05/60/143120560.db2.gz CHMITZSIBVLTIZ-CVEARBPZSA-N 1 2 348.834 1.826 20 30 EDEDLO COCCN1C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000345679398 143120561 /nfs/dbraw/zinc/12/05/61/143120561.db2.gz CHMITZSIBVLTIZ-CVEARBPZSA-N 1 2 348.834 1.826 20 30 EDEDLO COC(=O)[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C ZINC000346684903 143231704 /nfs/dbraw/zinc/23/17/04/143231704.db2.gz RZYAZWYEDBNIRI-DOMZBBRYSA-N 1 2 336.413 1.215 20 30 EDEDLO COC(=O)[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C ZINC000346684903 143231705 /nfs/dbraw/zinc/23/17/05/143231705.db2.gz RZYAZWYEDBNIRI-DOMZBBRYSA-N 1 2 336.413 1.215 20 30 EDEDLO Cc1nn(C)c(C)c1[C@@H]1[C@@H]([NH2+]Cc2nc(C#N)cs2)CC(=O)N1C ZINC000352869322 149196636 /nfs/dbraw/zinc/19/66/36/149196636.db2.gz HIIBAUMZCIYUQX-LRDDRELGSA-N 1 2 344.444 1.427 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000355501711 150294781 /nfs/dbraw/zinc/29/47/81/150294781.db2.gz HSYHTYKZCSVEKO-AWEZNQCLSA-N 1 2 345.418 1.908 20 30 EDEDLO COc1cc(CNC(=O)C2([NH+]3CCOCC3)CCC2)ccc1C#N ZINC000358971314 151555506 /nfs/dbraw/zinc/55/55/06/151555506.db2.gz MAUWJMTWMPGULT-UHFFFAOYSA-N 1 2 329.400 1.438 20 30 EDEDLO N#Cc1ccc(N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)nc1 ZINC000364018366 153124220 /nfs/dbraw/zinc/12/42/20/153124220.db2.gz PZQODFYTCFFWTC-UHFFFAOYSA-N 1 2 325.416 1.672 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000367073843 154000552 /nfs/dbraw/zinc/00/05/52/154000552.db2.gz VJIUSWNPRHKRLN-PBHICJAKSA-N 1 2 336.395 1.894 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCc1ccc(C#N)cc1 ZINC000367742381 154251575 /nfs/dbraw/zinc/25/15/75/154251575.db2.gz UJYAWGDNHRYEBP-CRAIPNDOSA-N 1 2 327.428 1.812 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCc3cc(C#N)ccc3F)C[C@H]21 ZINC000408021044 158243042 /nfs/dbraw/zinc/24/30/42/158243042.db2.gz GDPMDZGLVBXGQU-CVEARBPZSA-N 1 2 332.379 1.312 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)NCc3cc(C#N)ccc3F)C[C@H]21 ZINC000408021044 158243043 /nfs/dbraw/zinc/24/30/43/158243043.db2.gz GDPMDZGLVBXGQU-CVEARBPZSA-N 1 2 332.379 1.312 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C1CC1 ZINC000352301136 162105176 /nfs/dbraw/zinc/10/51/76/162105176.db2.gz CKOKUUWDMKYPJQ-AWEZNQCLSA-N 1 2 334.376 1.860 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(C#N)cc1 ZINC000194884237 270008917 /nfs/dbraw/zinc/00/89/17/270008917.db2.gz GYQPZXSSPZBYAZ-UHFFFAOYSA-N 1 2 326.400 1.175 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413965537 270011913 /nfs/dbraw/zinc/01/19/13/270011913.db2.gz HWFWBFSJVFXZEG-CQSZACIVSA-N 1 2 331.416 1.553 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCS(=O)(=O)[C@@H]4CCC[C@@H]43)n2c1 ZINC000515594160 270015277 /nfs/dbraw/zinc/01/52/77/270015277.db2.gz RUBZLOFRBOFUMU-LSDHHAIUSA-N 1 2 330.413 1.357 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1=O ZINC000281428948 265616251 /nfs/dbraw/zinc/61/62/51/265616251.db2.gz SHNVVVZIAAFTMF-HNNXBMFYSA-N 1 2 337.383 1.827 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1=O ZINC000281428948 265616253 /nfs/dbraw/zinc/61/62/53/265616253.db2.gz SHNVVVZIAAFTMF-HNNXBMFYSA-N 1 2 337.383 1.827 20 30 EDEDLO COc1cc(CN2CC[NH+](CC(=O)NC(C)C)CC2)ccc1C#N ZINC000282387382 266812035 /nfs/dbraw/zinc/81/20/35/266812035.db2.gz QYSVDNAEQNSWKA-UHFFFAOYSA-N 1 2 330.432 1.209 20 30 EDEDLO COc1cc(C[NH+]2CCN(CC(=O)NC(C)C)CC2)ccc1C#N ZINC000282387382 266812038 /nfs/dbraw/zinc/81/20/38/266812038.db2.gz QYSVDNAEQNSWKA-UHFFFAOYSA-N 1 2 330.432 1.209 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCOC2)O1 ZINC000280580805 267056075 /nfs/dbraw/zinc/05/60/75/267056075.db2.gz STWGDFVHFCEPCN-ACJLOTCBSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCOC2)O1 ZINC000280580805 267056077 /nfs/dbraw/zinc/05/60/77/267056077.db2.gz STWGDFVHFCEPCN-ACJLOTCBSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285019301 267139114 /nfs/dbraw/zinc/13/91/14/267139114.db2.gz ZOWZSQHYDYUZQE-KBRIMQKVSA-N 1 2 328.416 1.290 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285019301 267139118 /nfs/dbraw/zinc/13/91/18/267139118.db2.gz ZOWZSQHYDYUZQE-KBRIMQKVSA-N 1 2 328.416 1.290 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286583047 267168543 /nfs/dbraw/zinc/16/85/43/267168543.db2.gz WRTIBTKIIDLXFV-UKRRQHHQSA-N 1 2 341.390 1.925 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1cncc(C#N)n1 ZINC000420608854 267306714 /nfs/dbraw/zinc/30/67/14/267306714.db2.gz FNQCKUBECPAVEE-ZFWWWQNUSA-N 1 2 329.383 1.131 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1cncc(C#N)n1 ZINC000420608854 267306718 /nfs/dbraw/zinc/30/67/18/267306718.db2.gz FNQCKUBECPAVEE-ZFWWWQNUSA-N 1 2 329.383 1.131 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc2c(c1C#N)CCC2 ZINC000528126553 267331851 /nfs/dbraw/zinc/33/18/51/267331851.db2.gz AFBLUCAWGFORRK-LJQANCHMSA-N 1 2 342.443 1.470 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc2c(c1C#N)CCC2 ZINC000528126553 267331852 /nfs/dbraw/zinc/33/18/52/267331852.db2.gz AFBLUCAWGFORRK-LJQANCHMSA-N 1 2 342.443 1.470 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000284714988 268068704 /nfs/dbraw/zinc/06/87/04/268068704.db2.gz HIILLEHMWOXQJB-KZNAEPCWSA-N 1 2 343.427 1.036 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000284714988 268068705 /nfs/dbraw/zinc/06/87/05/268068705.db2.gz HIILLEHMWOXQJB-KZNAEPCWSA-N 1 2 343.427 1.036 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278953554 268100963 /nfs/dbraw/zinc/10/09/63/268100963.db2.gz WAAIPJZBNZDYLV-INIZCTEOSA-N 1 2 332.791 1.362 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278953554 268100964 /nfs/dbraw/zinc/10/09/64/268100964.db2.gz WAAIPJZBNZDYLV-INIZCTEOSA-N 1 2 332.791 1.362 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ncccc2Cl)c1=O ZINC000530109964 268179546 /nfs/dbraw/zinc/17/95/46/268179546.db2.gz UMTITCVPWVCJOQ-UHFFFAOYSA-N 1 2 344.802 1.649 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nnc4n3CCCCC4)C2)nc1 ZINC000292131896 268186135 /nfs/dbraw/zinc/18/61/35/268186135.db2.gz IUFZJWMXYWEOFO-HNNXBMFYSA-N 1 2 338.415 1.924 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nnc4n3CCCCC4)C2)nc1 ZINC000292131896 268186137 /nfs/dbraw/zinc/18/61/37/268186137.db2.gz IUFZJWMXYWEOFO-HNNXBMFYSA-N 1 2 338.415 1.924 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000276940287 268329989 /nfs/dbraw/zinc/32/99/89/268329989.db2.gz ARHRMIUKUDNECE-UHFFFAOYSA-N 1 2 342.424 1.290 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000276940287 268329991 /nfs/dbraw/zinc/32/99/91/268329991.db2.gz ARHRMIUKUDNECE-UHFFFAOYSA-N 1 2 342.424 1.290 20 30 EDEDLO CNC(=O)C[NH+]1CCN(c2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000266077388 273947387 /nfs/dbraw/zinc/94/73/87/273947387.db2.gz KCDVEZVFBSDYQJ-UHFFFAOYSA-N 1 2 341.390 1.422 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)c(Cl)n1 ZINC000376170222 279997703 /nfs/dbraw/zinc/99/77/03/279997703.db2.gz BQQQHSWEYWXERJ-AAEUAGOBSA-N 1 2 334.807 1.542 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CCN1C ZINC000280134846 294435247 /nfs/dbraw/zinc/43/52/47/294435247.db2.gz BMLQFWFVTQCIAU-OAHLLOKOSA-N 1 2 326.360 1.693 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497223027 298136159 /nfs/dbraw/zinc/13/61/59/298136159.db2.gz RRQQCJPWCMVCMF-ZIAGYGMSSA-N 1 2 336.436 1.490 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497223027 298136163 /nfs/dbraw/zinc/13/61/63/298136163.db2.gz RRQQCJPWCMVCMF-ZIAGYGMSSA-N 1 2 336.436 1.490 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccccc1OCC#N ZINC000286416679 300500280 /nfs/dbraw/zinc/50/02/80/300500280.db2.gz BBCLCSYVAWYKFZ-GJZGRUSLSA-N 1 2 329.400 1.524 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377717785 447313085 /nfs/dbraw/zinc/31/30/85/447313085.db2.gz FRPZLVGMSWHNJN-KNXALSJPSA-N 1 2 348.834 1.553 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377717785 447313086 /nfs/dbraw/zinc/31/30/86/447313086.db2.gz FRPZLVGMSWHNJN-KNXALSJPSA-N 1 2 348.834 1.553 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000377717785 447313088 /nfs/dbraw/zinc/31/30/88/447313088.db2.gz FRPZLVGMSWHNJN-KNXALSJPSA-N 1 2 348.834 1.553 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000377717785 447313091 /nfs/dbraw/zinc/31/30/91/447313091.db2.gz FRPZLVGMSWHNJN-KNXALSJPSA-N 1 2 348.834 1.553 20 30 EDEDLO N#Cc1cccc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000245964343 303203728 /nfs/dbraw/zinc/20/37/28/303203728.db2.gz NBCWSEQDQZBSKW-DLBZAZTESA-N 1 2 334.441 1.726 20 30 EDEDLO N#Cc1cccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000245964343 303203730 /nfs/dbraw/zinc/20/37/30/303203730.db2.gz NBCWSEQDQZBSKW-DLBZAZTESA-N 1 2 334.441 1.726 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc(C#N)cs1)C2 ZINC000552147529 306176149 /nfs/dbraw/zinc/17/61/49/306176149.db2.gz KSAZSXLULDSMIK-GFCCVEGCSA-N 1 2 330.413 1.404 20 30 EDEDLO C=CCc1ccc(OCC(=O)NCC[NH+]2CCOCC2)c(OC)c1 ZINC000045973382 441066913 /nfs/dbraw/zinc/06/69/13/441066913.db2.gz DMFPUZYFKVZZKZ-UHFFFAOYSA-N 1 2 334.416 1.251 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000010832688 441116621 /nfs/dbraw/zinc/11/66/21/441116621.db2.gz STRUYICRCOEYKA-UHFFFAOYSA-N 1 2 329.400 1.593 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000016726956 441231784 /nfs/dbraw/zinc/23/17/84/441231784.db2.gz BDBKDFXEJPLCCS-UHFFFAOYSA-N 1 2 342.424 1.605 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108301 441294724 /nfs/dbraw/zinc/29/47/24/441294724.db2.gz CETRSCLNZPUYEI-CQSZACIVSA-N 1 2 327.432 1.523 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000048021314 441251149 /nfs/dbraw/zinc/25/11/49/441251149.db2.gz ATQPLRGXWVXTEL-AWEZNQCLSA-N 1 2 347.846 1.165 20 30 EDEDLO CCn1cc(N2C(=O)C[C@@H]([N@H+](C)Cc3cccc(C#N)c3)C2=O)cn1 ZINC000105409339 441256002 /nfs/dbraw/zinc/25/60/02/441256002.db2.gz DWKLSOMEIOEFET-MRXNPFEDSA-N 1 2 337.383 1.539 20 30 EDEDLO CCn1cc(N2C(=O)C[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)C2=O)cn1 ZINC000105409339 441256007 /nfs/dbraw/zinc/25/60/07/441256007.db2.gz DWKLSOMEIOEFET-MRXNPFEDSA-N 1 2 337.383 1.539 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2cnccc21 ZINC000073059797 441289429 /nfs/dbraw/zinc/28/94/29/441289429.db2.gz TUSPWHUOQVZWEN-UHFFFAOYSA-N 1 2 338.411 1.923 20 30 EDEDLO C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000073069591 441289806 /nfs/dbraw/zinc/28/98/06/441289806.db2.gz LBNRXXFVFQZTJB-UHFFFAOYSA-N 1 2 329.381 1.554 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(-c3ccnc(C)n3)c2)CC1 ZINC000085271964 441431519 /nfs/dbraw/zinc/43/15/19/441431519.db2.gz OHJTWKOXKBXKJE-UHFFFAOYSA-N 1 2 349.438 1.641 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000052836149 441478925 /nfs/dbraw/zinc/47/89/25/441478925.db2.gz QLWRMLBXBNFCBB-MRXNPFEDSA-N 1 2 328.416 1.312 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000052836149 441478931 /nfs/dbraw/zinc/47/89/31/441478931.db2.gz QLWRMLBXBNFCBB-MRXNPFEDSA-N 1 2 328.416 1.312 20 30 EDEDLO CC(C)N(C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)C(C)C ZINC000029444741 441459017 /nfs/dbraw/zinc/45/90/17/441459017.db2.gz PDECLBRGDCQFJI-UHFFFAOYSA-N 1 2 329.448 1.721 20 30 EDEDLO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000088546674 441512600 /nfs/dbraw/zinc/51/26/00/441512600.db2.gz SBZVYNUDAIHUQB-QGZVFWFLSA-N 1 2 344.371 1.666 20 30 EDEDLO CC(C)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000121770174 441776856 /nfs/dbraw/zinc/77/68/56/441776856.db2.gz HCQJBHULKSIMDP-UHFFFAOYSA-N 1 2 330.432 1.893 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000121809633 441785242 /nfs/dbraw/zinc/78/52/42/441785242.db2.gz UYTRYTHAJVPWMS-LBPRGKRZSA-N 1 2 335.429 1.797 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000121809633 441785247 /nfs/dbraw/zinc/78/52/47/441785247.db2.gz UYTRYTHAJVPWMS-LBPRGKRZSA-N 1 2 335.429 1.797 20 30 EDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173616618 441804881 /nfs/dbraw/zinc/80/48/81/441804881.db2.gz TYXNVNOJWGWNAZ-CQSZACIVSA-N 1 2 325.372 1.709 20 30 EDEDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173616618 441804888 /nfs/dbraw/zinc/80/48/88/441804888.db2.gz TYXNVNOJWGWNAZ-CQSZACIVSA-N 1 2 325.372 1.709 20 30 EDEDLO C=CC[C@H](C)NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000116955382 441860698 /nfs/dbraw/zinc/86/06/98/441860698.db2.gz DDRJYCODSZQXAJ-ZDUSSCGKSA-N 1 2 345.447 1.547 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2oc(CC)cc2C)CC1 ZINC000122740469 441862119 /nfs/dbraw/zinc/86/21/19/441862119.db2.gz NEWMPSYLKALAGN-UHFFFAOYSA-N 1 2 331.416 1.048 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2oc(CC)cc2C)CC1 ZINC000122740469 441862123 /nfs/dbraw/zinc/86/21/23/441862123.db2.gz NEWMPSYLKALAGN-UHFFFAOYSA-N 1 2 331.416 1.048 20 30 EDEDLO Cc1cc(C)n2c(C[NH+]3CCN(c4ncccc4C#N)CC3)cnc2n1 ZINC000122935849 441869349 /nfs/dbraw/zinc/86/93/49/441869349.db2.gz QVDHTVXGOVZKRT-UHFFFAOYSA-N 1 2 347.426 1.935 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C[C@@H]21 ZINC000159725661 441834111 /nfs/dbraw/zinc/83/41/11/441834111.db2.gz AKDQSYYLFQQRKS-HOTGVXAUSA-N 1 2 329.400 1.257 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C[C@@H]21 ZINC000159725661 441834118 /nfs/dbraw/zinc/83/41/18/441834118.db2.gz AKDQSYYLFQQRKS-HOTGVXAUSA-N 1 2 329.400 1.257 20 30 EDEDLO C=CCCO[C@H](C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000069354284 441922311 /nfs/dbraw/zinc/92/23/11/441922311.db2.gz OVNKJPLCRDKQSQ-HUUCEWRRSA-N 1 2 333.432 1.904 20 30 EDEDLO C[C@](C#N)(NC(=O)CN1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000161187028 441968458 /nfs/dbraw/zinc/96/84/58/441968458.db2.gz GGLMPJHPONSDTJ-GOSISDBHSA-N 1 2 327.432 1.008 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1C#N ZINC000069537092 441970859 /nfs/dbraw/zinc/97/08/59/441970859.db2.gz UJTUUKZNMMQYJJ-UHFFFAOYSA-N 1 2 334.445 1.937 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CCC[N@H+](C(C)C)CC2)cc1C#N ZINC000069537092 441970865 /nfs/dbraw/zinc/97/08/65/441970865.db2.gz UJTUUKZNMMQYJJ-UHFFFAOYSA-N 1 2 334.445 1.937 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119830898 441959798 /nfs/dbraw/zinc/95/97/98/441959798.db2.gz INEYGYQTVFNRIC-RDJZCZTQSA-N 1 2 339.399 1.776 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119830898 441959804 /nfs/dbraw/zinc/95/98/04/441959804.db2.gz INEYGYQTVFNRIC-RDJZCZTQSA-N 1 2 339.399 1.776 20 30 EDEDLO COc1ccccc1NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078681538 441961897 /nfs/dbraw/zinc/96/18/97/441961897.db2.gz DERMHRSURANSPK-UHFFFAOYSA-N 1 2 346.431 1.182 20 30 EDEDLO C=C(C)COCCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000161303146 441983669 /nfs/dbraw/zinc/98/36/69/441983669.db2.gz SDEXCPTXMRJIID-UHFFFAOYSA-N 1 2 342.399 1.735 20 30 EDEDLO CS(=O)(=O)CCCCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000161317333 441984834 /nfs/dbraw/zinc/98/48/34/441984834.db2.gz LHYIGMBPHUVQDG-UHFFFAOYSA-N 1 2 349.500 1.891 20 30 EDEDLO CS(=O)(=O)CCCCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000161317333 441984843 /nfs/dbraw/zinc/98/48/43/441984843.db2.gz LHYIGMBPHUVQDG-UHFFFAOYSA-N 1 2 349.500 1.891 20 30 EDEDLO C#CCOCCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000161583535 442014159 /nfs/dbraw/zinc/01/41/59/442014159.db2.gz XCGGLGPPXKPXLV-QGZVFWFLSA-N 1 2 327.384 1.674 20 30 EDEDLO CCN(CCC#N)C(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000120423868 442068592 /nfs/dbraw/zinc/06/85/92/442068592.db2.gz VTJSAHXHPJSRHQ-INIZCTEOSA-N 1 2 329.448 1.522 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000120423868 442068594 /nfs/dbraw/zinc/06/85/94/442068594.db2.gz VTJSAHXHPJSRHQ-INIZCTEOSA-N 1 2 329.448 1.522 20 30 EDEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)cs1 ZINC000126691038 442134835 /nfs/dbraw/zinc/13/48/35/442134835.db2.gz CGEROGGHRSPEIS-UHFFFAOYSA-N 1 2 329.429 1.999 20 30 EDEDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)cs1 ZINC000126691038 442134840 /nfs/dbraw/zinc/13/48/40/442134840.db2.gz CGEROGGHRSPEIS-UHFFFAOYSA-N 1 2 329.429 1.999 20 30 EDEDLO C=CC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000121417241 442214111 /nfs/dbraw/zinc/21/41/11/442214111.db2.gz BLJCCZGBRGRPFP-UHFFFAOYSA-N 1 2 339.461 1.773 20 30 EDEDLO C=CC[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000121417241 442214113 /nfs/dbraw/zinc/21/41/13/442214113.db2.gz BLJCCZGBRGRPFP-UHFFFAOYSA-N 1 2 339.461 1.773 20 30 EDEDLO Cc1cc[nH+]c(N2CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000166386654 442216119 /nfs/dbraw/zinc/21/61/19/442216119.db2.gz SRTPNMYYNIJGHQ-VQIMIIECSA-N 1 2 343.475 1.955 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3ccc(OCC#N)cc3)C[C@@H]21 ZINC000152528577 442222875 /nfs/dbraw/zinc/22/28/75/442222875.db2.gz LWJBKRUZVLLHKK-APRRPJGKSA-N 1 2 327.384 1.144 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3ccc(OCC#N)cc3)C[C@@H]21 ZINC000152528577 442222878 /nfs/dbraw/zinc/22/28/78/442222878.db2.gz LWJBKRUZVLLHKK-APRRPJGKSA-N 1 2 327.384 1.144 20 30 EDEDLO C#CCSCCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000153781238 442303010 /nfs/dbraw/zinc/30/30/10/442303010.db2.gz JSUPJSFIQJNKLS-CQSZACIVSA-N 1 2 348.472 1.472 20 30 EDEDLO C#CCCCCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000154977426 442368089 /nfs/dbraw/zinc/36/80/89/442368089.db2.gz WRPKPTODEYLACH-UHFFFAOYSA-N 1 2 339.443 1.965 20 30 EDEDLO C=CCSCCNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000171727897 442374906 /nfs/dbraw/zinc/37/49/06/442374906.db2.gz QXFPBYXLJZCNKR-HNNXBMFYSA-N 1 2 326.510 1.327 20 30 EDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000155308217 442386432 /nfs/dbraw/zinc/38/64/32/442386432.db2.gz MPDVECYNIJZLOX-GJZGRUSLSA-N 1 2 345.443 1.987 20 30 EDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000155308217 442386433 /nfs/dbraw/zinc/38/64/33/442386433.db2.gz MPDVECYNIJZLOX-GJZGRUSLSA-N 1 2 345.443 1.987 20 30 EDEDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000133526986 442422513 /nfs/dbraw/zinc/42/25/13/442422513.db2.gz VPDKFDFHWBCWRT-NSHDSACASA-N 1 2 348.472 1.893 20 30 EDEDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000133526986 442422517 /nfs/dbraw/zinc/42/25/17/442422517.db2.gz VPDKFDFHWBCWRT-NSHDSACASA-N 1 2 348.472 1.893 20 30 EDEDLO COC(=O)C1([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCC1 ZINC000133902455 442438840 /nfs/dbraw/zinc/43/88/40/442438840.db2.gz XTSCXSCLXPAPNV-HNNXBMFYSA-N 1 2 332.400 1.568 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000134960339 442541483 /nfs/dbraw/zinc/54/14/83/442541483.db2.gz ACMZTNJSAMJKPS-HNNXBMFYSA-N 1 2 344.459 1.599 20 30 EDEDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000134960339 442541487 /nfs/dbraw/zinc/54/14/87/442541487.db2.gz ACMZTNJSAMJKPS-HNNXBMFYSA-N 1 2 344.459 1.599 20 30 EDEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)CC2(C#N)CC2)C[C@@H](C)O1 ZINC000180410498 442598319 /nfs/dbraw/zinc/59/83/19/442598319.db2.gz XRNHVKZGGHVGMJ-KFWWJZLASA-N 1 2 341.477 1.194 20 30 EDEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000186995350 442642086 /nfs/dbraw/zinc/64/20/86/442642086.db2.gz ABIJBUSQPWNYNA-LLVKDONJSA-N 1 2 334.807 1.703 20 30 EDEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000186995350 442642088 /nfs/dbraw/zinc/64/20/88/442642088.db2.gz ABIJBUSQPWNYNA-LLVKDONJSA-N 1 2 334.807 1.703 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180507684 442614643 /nfs/dbraw/zinc/61/46/43/442614643.db2.gz GYKDRXXABDXRQT-VIFPVBQESA-N 1 2 329.322 1.936 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180507684 442614646 /nfs/dbraw/zinc/61/46/46/442614646.db2.gz GYKDRXXABDXRQT-VIFPVBQESA-N 1 2 329.322 1.936 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192552283 442661750 /nfs/dbraw/zinc/66/17/50/442661750.db2.gz KCGCBNAKKCGYHY-HZPDHXFCSA-N 1 2 326.400 1.264 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192552283 442661752 /nfs/dbraw/zinc/66/17/52/442661752.db2.gz KCGCBNAKKCGYHY-HZPDHXFCSA-N 1 2 326.400 1.264 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000193448723 442743471 /nfs/dbraw/zinc/74/34/71/442743471.db2.gz HFCGOXUGSVNKAJ-CQSZACIVSA-N 1 2 347.419 1.324 20 30 EDEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@H](C(=O)NC)C2)ccc1OC ZINC000182450283 442767939 /nfs/dbraw/zinc/76/79/39/442767939.db2.gz FLOHYHCJVDUKRY-KRWDZBQOSA-N 1 2 334.416 1.597 20 30 EDEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@H](C(=O)NC)C2)ccc1OC ZINC000182450283 442767942 /nfs/dbraw/zinc/76/79/42/442767942.db2.gz FLOHYHCJVDUKRY-KRWDZBQOSA-N 1 2 334.416 1.597 20 30 EDEDLO N#Cc1c(F)cccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000189041091 442865981 /nfs/dbraw/zinc/86/59/81/442865981.db2.gz NUVQGDNEAKGOFE-QGZVFWFLSA-N 1 2 349.431 1.635 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185166357 443151571 /nfs/dbraw/zinc/15/15/71/443151571.db2.gz PDRRQLGDVQCOMV-JGJLBUBWSA-N 1 2 349.475 1.797 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185166357 443151576 /nfs/dbraw/zinc/15/15/76/443151576.db2.gz PDRRQLGDVQCOMV-JGJLBUBWSA-N 1 2 349.475 1.797 20 30 EDEDLO CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000267032614 443318935 /nfs/dbraw/zinc/31/89/35/443318935.db2.gz MWOCMYGMFYAVDZ-MRXNPFEDSA-N 1 2 328.460 1.931 20 30 EDEDLO CC(C)N(C)C(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000267032614 443318937 /nfs/dbraw/zinc/31/89/37/443318937.db2.gz MWOCMYGMFYAVDZ-MRXNPFEDSA-N 1 2 328.460 1.931 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000267054559 443325889 /nfs/dbraw/zinc/32/58/89/443325889.db2.gz RNOYQGNSJSQGGX-OAHLLOKOSA-N 1 2 347.459 1.512 20 30 EDEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000267054559 443325892 /nfs/dbraw/zinc/32/58/92/443325892.db2.gz RNOYQGNSJSQGGX-OAHLLOKOSA-N 1 2 347.459 1.512 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1C#N ZINC000267372121 443434806 /nfs/dbraw/zinc/43/48/06/443434806.db2.gz MKPHVDKEIZSNBD-UHFFFAOYSA-N 1 2 337.383 1.935 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000269711261 443405791 /nfs/dbraw/zinc/40/57/91/443405791.db2.gz RFFUVZRUWQUZLD-MRXNPFEDSA-N 1 2 327.432 1.092 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000269711261 443405795 /nfs/dbraw/zinc/40/57/95/443405795.db2.gz RFFUVZRUWQUZLD-MRXNPFEDSA-N 1 2 327.432 1.092 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000270310644 443466096 /nfs/dbraw/zinc/46/60/96/443466096.db2.gz YVTQVZOTOMZUIO-UHFFFAOYSA-N 1 2 328.416 1.037 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000270310644 443466100 /nfs/dbraw/zinc/46/61/00/443466100.db2.gz YVTQVZOTOMZUIO-UHFFFAOYSA-N 1 2 328.416 1.037 20 30 EDEDLO CCN(C)C(=O)CO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000273415669 443572008 /nfs/dbraw/zinc/57/20/08/443572008.db2.gz FLEBAMZSVDHFLW-UHFFFAOYSA-N 1 2 329.784 1.472 20 30 EDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(c2cccc(C#N)n2)CCO1 ZINC000279439323 443586466 /nfs/dbraw/zinc/58/64/66/443586466.db2.gz LKFQOQJORAMNNC-OAHLLOKOSA-N 1 2 346.431 1.432 20 30 EDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(c2cccc(C#N)n2)CCO1 ZINC000279439323 443586467 /nfs/dbraw/zinc/58/64/67/443586467.db2.gz LKFQOQJORAMNNC-OAHLLOKOSA-N 1 2 346.431 1.432 20 30 EDEDLO N#CC1(NC(=O)C[NH2+][C@H](CO)c2c(F)cccc2F)CCCCC1 ZINC000273154844 443553009 /nfs/dbraw/zinc/55/30/09/443553009.db2.gz XYNUQEBQIAIIBU-CQSZACIVSA-N 1 2 337.370 1.930 20 30 EDEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000283683637 443689434 /nfs/dbraw/zinc/68/94/34/443689434.db2.gz GFJZRUOEBXFCSP-MRXNPFEDSA-N 1 2 345.443 1.038 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cc(C#N)cs1 ZINC000280404043 443712404 /nfs/dbraw/zinc/71/24/04/443712404.db2.gz WAARGPJUZSOEKA-STQMWFEESA-N 1 2 347.419 1.696 20 30 EDEDLO CCc1nnc(N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c(C#N)c1CC ZINC000280533116 443734963 /nfs/dbraw/zinc/73/49/63/443734963.db2.gz RSXJVBQRCGAABM-INIZCTEOSA-N 1 2 339.447 1.700 20 30 EDEDLO NC(=[NH+]OCc1nnc2n1CCOC2)c1cccc(C(F)(F)F)c1 ZINC000280693298 443740885 /nfs/dbraw/zinc/74/08/85/443740885.db2.gz GAHLXLMCTAHBEL-UHFFFAOYSA-N 1 2 341.293 1.664 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000284723852 443784799 /nfs/dbraw/zinc/78/47/99/443784799.db2.gz WDVOXEBUQCCTMR-CABCVRRESA-N 1 2 340.387 1.467 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000284723852 443784804 /nfs/dbraw/zinc/78/48/04/443784804.db2.gz WDVOXEBUQCCTMR-CABCVRRESA-N 1 2 340.387 1.467 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+](CC(=O)N(CC=C)CC=C)C1CC1 ZINC000298402943 443762293 /nfs/dbraw/zinc/76/22/93/443762293.db2.gz HCTWMSKAYOTOND-UHFFFAOYSA-N 1 2 331.460 1.852 20 30 EDEDLO NC(=[NH+]OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCO1 ZINC000284070024 443762635 /nfs/dbraw/zinc/76/26/35/443762635.db2.gz KAXZTAMBKWXJLT-JTQLQIEISA-N 1 2 343.286 1.414 20 30 EDEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)NCc1ccc(Cl)cc1 ZINC000284075462 443763652 /nfs/dbraw/zinc/76/36/52/443763652.db2.gz KFKOEYQNVSNHEO-ZWNOBZJWSA-N 1 2 325.796 1.813 20 30 EDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284430448 443774703 /nfs/dbraw/zinc/77/47/03/443774703.db2.gz OSPCDEZADHOBRH-UHFFFAOYSA-N 1 2 339.308 1.207 20 30 EDEDLO CCOC1CC(CNc2ccc(C#N)c(C)n2)([NH+]2CCOCC2)C1 ZINC000292051984 443775146 /nfs/dbraw/zinc/77/51/46/443775146.db2.gz WCSGVMKAOKJAJX-UHFFFAOYSA-N 1 2 330.432 1.944 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)C1=O ZINC000281184089 443841404 /nfs/dbraw/zinc/84/14/04/443841404.db2.gz BDDDGUVLUMAQCA-HNNXBMFYSA-N 1 2 345.399 1.130 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)C1=O ZINC000281184089 443841406 /nfs/dbraw/zinc/84/14/06/443841406.db2.gz BDDDGUVLUMAQCA-HNNXBMFYSA-N 1 2 345.399 1.130 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(=O)n3c(C)csc3n2)C1=O ZINC000281323598 443879812 /nfs/dbraw/zinc/87/98/12/443879812.db2.gz LKQURQCGLNNFDQ-ZDUSSCGKSA-N 1 2 332.429 1.283 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(=O)n3c(C)csc3n2)C1=O ZINC000281323598 443879818 /nfs/dbraw/zinc/87/98/18/443879818.db2.gz LKQURQCGLNNFDQ-ZDUSSCGKSA-N 1 2 332.429 1.283 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3ccc(C)cc3)C2=O)C1=O ZINC000281379825 443894748 /nfs/dbraw/zinc/89/47/48/443894748.db2.gz PBYPXVAOLOKWTB-DLBZAZTESA-N 1 2 327.428 1.819 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3ccc(C)cc3)C2=O)C1=O ZINC000281379825 443894755 /nfs/dbraw/zinc/89/47/55/443894755.db2.gz PBYPXVAOLOKWTB-DLBZAZTESA-N 1 2 327.428 1.819 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)CCC3)C1=O ZINC000281298652 443873594 /nfs/dbraw/zinc/87/35/94/443873594.db2.gz JSBOKPBGDJHPBY-KRWDZBQOSA-N 1 2 327.428 1.833 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)CCC3)C1=O ZINC000281298652 443873596 /nfs/dbraw/zinc/87/35/96/443873596.db2.gz JSBOKPBGDJHPBY-KRWDZBQOSA-N 1 2 327.428 1.833 20 30 EDEDLO C=CCCCS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000293193397 443947799 /nfs/dbraw/zinc/94/77/99/443947799.db2.gz YZXXZOWOAXBZGT-UHFFFAOYSA-N 1 2 333.457 1.972 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccccc2)C1=O ZINC000281403519 443901568 /nfs/dbraw/zinc/90/15/68/443901568.db2.gz QRJDPYAAMAQHTM-INMHGKMJSA-N 1 2 329.444 1.971 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccccc2)C1=O ZINC000281403519 443901572 /nfs/dbraw/zinc/90/15/72/443901572.db2.gz QRJDPYAAMAQHTM-INMHGKMJSA-N 1 2 329.444 1.971 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000281677241 443976571 /nfs/dbraw/zinc/97/65/71/443976571.db2.gz ZJEWSGUBMSSISJ-FUHWJXTLSA-N 1 2 344.459 1.890 20 30 EDEDLO C#CCOc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000285580328 444035517 /nfs/dbraw/zinc/03/55/17/444035517.db2.gz ASPVEHXVKWBQCL-WBVHZDCISA-N 1 2 328.412 1.634 20 30 EDEDLO C=CCN1CC[C@@H](N(C)c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1=O ZINC000282005387 444060229 /nfs/dbraw/zinc/06/02/29/444060229.db2.gz WSBHZEQMQDADHH-LSDHHAIUSA-N 1 2 345.447 1.051 20 30 EDEDLO C=CCN1CC[C@@H](N(C)c2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1=O ZINC000282005387 444060234 /nfs/dbraw/zinc/06/02/34/444060234.db2.gz WSBHZEQMQDADHH-LSDHHAIUSA-N 1 2 345.447 1.051 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000293581491 444060406 /nfs/dbraw/zinc/06/04/06/444060406.db2.gz WYZYOPFPZCBCST-CYBMUJFWSA-N 1 2 334.376 1.747 20 30 EDEDLO N#Cc1c(F)cccc1N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000299604816 444092649 /nfs/dbraw/zinc/09/26/49/444092649.db2.gz NJYSPVNYQFWZQG-UHFFFAOYSA-N 1 2 327.363 1.633 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2[nH]c1=S ZINC000285743634 444093741 /nfs/dbraw/zinc/09/37/41/444093741.db2.gz PKLGDBAPTSEFPL-GFCCVEGCSA-N 1 2 344.440 1.435 20 30 EDEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000570093956 321337752 /nfs/dbraw/zinc/33/77/52/321337752.db2.gz ZIJBJVPIFDGQMH-NSHDSACASA-N 1 2 340.474 1.309 20 30 EDEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000570093956 321337753 /nfs/dbraw/zinc/33/77/53/321337753.db2.gz ZIJBJVPIFDGQMH-NSHDSACASA-N 1 2 340.474 1.309 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1)C(C)C ZINC000294292327 444110542 /nfs/dbraw/zinc/11/05/42/444110542.db2.gz SYVJQIUWYLKKJB-CABCVRRESA-N 1 2 330.432 1.968 20 30 EDEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000295206788 444170801 /nfs/dbraw/zinc/17/08/01/444170801.db2.gz OLOLYCIUOWDTHB-INIZCTEOSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000295206788 444170804 /nfs/dbraw/zinc/17/08/04/444170804.db2.gz OLOLYCIUOWDTHB-INIZCTEOSA-N 1 2 337.420 1.697 20 30 EDEDLO COCc1n[nH]c([C@@H]2CCCC[N@@H+]2CCC(=O)N(C)CCC#N)n1 ZINC000289856645 444211753 /nfs/dbraw/zinc/21/17/53/444211753.db2.gz QNYFPXBGWBPAAX-ZDUSSCGKSA-N 1 2 334.424 1.240 20 30 EDEDLO COCc1n[nH]c([C@@H]2CCCC[N@H+]2CCC(=O)N(C)CCC#N)n1 ZINC000289856645 444211756 /nfs/dbraw/zinc/21/17/56/444211756.db2.gz QNYFPXBGWBPAAX-ZDUSSCGKSA-N 1 2 334.424 1.240 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCOCc2ccccc2)CC1 ZINC000295372903 444180728 /nfs/dbraw/zinc/18/07/28/444180728.db2.gz JXWUJGJOAYZSGD-UHFFFAOYSA-N 1 2 336.457 1.174 20 30 EDEDLO CC1(C)C[C@H](O)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000296091205 444203918 /nfs/dbraw/zinc/20/39/18/444203918.db2.gz PSACCUKADGXTOI-CQSZACIVSA-N 1 2 337.445 1.210 20 30 EDEDLO CC1(C)C[C@H](O)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000296091205 444203919 /nfs/dbraw/zinc/20/39/19/444203919.db2.gz PSACCUKADGXTOI-CQSZACIVSA-N 1 2 337.445 1.210 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296788045 444254381 /nfs/dbraw/zinc/25/43/81/444254381.db2.gz QOCOUXSKCRAIMA-UHFFFAOYSA-N 1 2 328.416 1.512 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296788045 444254383 /nfs/dbraw/zinc/25/43/83/444254383.db2.gz QOCOUXSKCRAIMA-UHFFFAOYSA-N 1 2 328.416 1.512 20 30 EDEDLO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290236209 444257477 /nfs/dbraw/zinc/25/74/77/444257477.db2.gz IXIUXYGCCNYHSX-LSDHHAIUSA-N 1 2 337.445 1.352 20 30 EDEDLO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290236209 444257479 /nfs/dbraw/zinc/25/74/79/444257479.db2.gz IXIUXYGCCNYHSX-LSDHHAIUSA-N 1 2 337.445 1.352 20 30 EDEDLO C#Cc1ccccc1CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000290018902 444231459 /nfs/dbraw/zinc/23/14/59/444231459.db2.gz AUDVKEJHQYGOFD-UHFFFAOYSA-N 1 2 335.407 1.758 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000296527864 444236660 /nfs/dbraw/zinc/23/66/60/444236660.db2.gz ATEDWMBLNWUNCH-CHWSQXEVSA-N 1 2 348.428 1.498 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000296527864 444236663 /nfs/dbraw/zinc/23/66/63/444236663.db2.gz ATEDWMBLNWUNCH-CHWSQXEVSA-N 1 2 348.428 1.498 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000297447029 444287499 /nfs/dbraw/zinc/28/74/99/444287499.db2.gz GVSZBIYYHVNGPY-UHFFFAOYSA-N 1 2 341.455 1.840 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000311679528 444293424 /nfs/dbraw/zinc/29/34/24/444293424.db2.gz LPUVPTWXNHKSHS-INIZCTEOSA-N 1 2 325.368 1.782 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000311679528 444293426 /nfs/dbraw/zinc/29/34/26/444293426.db2.gz LPUVPTWXNHKSHS-INIZCTEOSA-N 1 2 325.368 1.782 20 30 EDEDLO Cc1cc(NC(=O)N(C)C[C@H](O)CO)c[nH+]c1N1CCCC[C@H]1C ZINC000330982530 444346156 /nfs/dbraw/zinc/34/61/56/444346156.db2.gz OGMSQCYPSMMUCH-HIFRSBDPSA-N 1 2 336.436 1.599 20 30 EDEDLO CCN1CCN(C(=O)N[C@H](C)[C@@H]2CCCO2)C[C@H]1c1[nH+]ccn1C ZINC000328635775 444406836 /nfs/dbraw/zinc/40/68/36/444406836.db2.gz VCOIEHHBWSTAAV-ILXRZTDVSA-N 1 2 335.452 1.580 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)Nc2ccnn2C)cn1 ZINC000328642156 444409619 /nfs/dbraw/zinc/40/96/19/444409619.db2.gz QWQQHUHWDREYDF-STQMWFEESA-N 1 2 335.387 1.092 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)Nc2ccnn2C)cn1 ZINC000328642156 444409622 /nfs/dbraw/zinc/40/96/22/444409622.db2.gz QWQQHUHWDREYDF-STQMWFEESA-N 1 2 335.387 1.092 20 30 EDEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@]1(O)CCSC1 ZINC000328933800 444409637 /nfs/dbraw/zinc/40/96/37/444409637.db2.gz BZFOAECOWGHVHE-KGLIPLIRSA-N 1 2 332.491 1.019 20 30 EDEDLO CCC1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CCOCC1 ZINC000328866125 444380037 /nfs/dbraw/zinc/38/00/37/444380037.db2.gz GNVCJDFVGJAMNV-CABCVRRESA-N 1 2 325.453 1.512 20 30 EDEDLO CCC1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CCOCC1 ZINC000328866125 444380041 /nfs/dbraw/zinc/38/00/41/444380041.db2.gz GNVCJDFVGJAMNV-CABCVRRESA-N 1 2 325.453 1.512 20 30 EDEDLO C[C@@H]1C[C@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)C[N@@H+]1C1CC1 ZINC000328914833 444400339 /nfs/dbraw/zinc/40/03/39/444400339.db2.gz QLMMFYZLFMPASY-NEPJUHHUSA-N 1 2 330.450 1.162 20 30 EDEDLO C[C@@H]1C[C@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)C[N@H+]1C1CC1 ZINC000328914833 444400343 /nfs/dbraw/zinc/40/03/43/444400343.db2.gz QLMMFYZLFMPASY-NEPJUHHUSA-N 1 2 330.450 1.162 20 30 EDEDLO COc1ccc2c(c1)OC[C@H](NC(=O)N1CCn3cc[nH+]c3C1)C2 ZINC000329029616 444450853 /nfs/dbraw/zinc/45/08/53/444450853.db2.gz WRFXYZKMAFCSTM-CYBMUJFWSA-N 1 2 328.372 1.625 20 30 EDEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CCCCS2)CCO1 ZINC000331227983 444451347 /nfs/dbraw/zinc/45/13/47/444451347.db2.gz GCCHRFCXRWWWEZ-CHWSQXEVSA-N 1 2 344.481 1.354 20 30 EDEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CCCCS2)CCO1 ZINC000331227983 444451349 /nfs/dbraw/zinc/45/13/49/444451349.db2.gz GCCHRFCXRWWWEZ-CHWSQXEVSA-N 1 2 344.481 1.354 20 30 EDEDLO Cc1cc(NC(=O)N(C)CC[NH+]2CCOCC2)c(C#N)cc1N(C)C ZINC000331236756 444454050 /nfs/dbraw/zinc/45/40/50/444454050.db2.gz MMUZMCWVCDPKNS-UHFFFAOYSA-N 1 2 345.447 1.729 20 30 EDEDLO CC(C)c1ncsc1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000331335370 444466496 /nfs/dbraw/zinc/46/64/96/444466496.db2.gz UNEHDIFCXGOHLM-OAHLLOKOSA-N 1 2 327.450 1.654 20 30 EDEDLO CC(C)(CNC(=O)CN1CCO[C@@H]2CCC[C@H]21)[NH+]1CCOCC1 ZINC000329089522 444469096 /nfs/dbraw/zinc/46/90/96/444469096.db2.gz IMOFGIRBYLMLEY-HUUCEWRRSA-N 1 2 325.453 1.307 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c(C#N)c1C ZINC000331176804 444432197 /nfs/dbraw/zinc/43/21/97/444432197.db2.gz PUWWTMAYVHGYHD-FZMZJTMJSA-N 1 2 337.445 1.647 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](CCO)[C@H]2CCO[C@H]2C)c(C#N)c1C ZINC000331176804 444432201 /nfs/dbraw/zinc/43/22/01/444432201.db2.gz PUWWTMAYVHGYHD-FZMZJTMJSA-N 1 2 337.445 1.647 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000328722934 444441698 /nfs/dbraw/zinc/44/16/98/444441698.db2.gz AIURMOMXUBBHII-QKPAOTATSA-N 1 2 336.480 1.084 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000328722934 444441699 /nfs/dbraw/zinc/44/16/99/444441699.db2.gz AIURMOMXUBBHII-QKPAOTATSA-N 1 2 336.480 1.084 20 30 EDEDLO Cc1[nH+]ccn1CC[NH+]=C([O-])N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000329128533 444479470 /nfs/dbraw/zinc/47/94/70/444479470.db2.gz NKJJTKDNKWOJQO-KGLIPLIRSA-N 1 2 334.424 1.186 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000331991194 444494363 /nfs/dbraw/zinc/49/43/63/444494363.db2.gz XWQHIXVJFHDTSX-DOTOQJQBSA-N 1 2 345.447 1.598 20 30 EDEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000580512721 322058948 /nfs/dbraw/zinc/05/89/48/322058948.db2.gz WLUPVGYPWVBRRJ-OAHLLOKOSA-N 1 2 329.448 1.626 20 30 EDEDLO CCn1nccc1NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000329214129 444503450 /nfs/dbraw/zinc/50/34/50/444503450.db2.gz KQOSWXFHRFLNCJ-LBPRGKRZSA-N 1 2 334.424 1.560 20 30 EDEDLO Cc1c(C#N)cccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000338145449 444534987 /nfs/dbraw/zinc/53/49/87/444534987.db2.gz DGKDYETYNMUKIZ-SFHVURJKSA-N 1 2 345.468 1.804 20 30 EDEDLO CC(=O)Nc1ncc(S(=O)(=O)N2CCn3c[nH+]cc3C2)s1 ZINC000329450569 444584550 /nfs/dbraw/zinc/58/45/50/444584550.db2.gz DPIOOYRVJPNVAB-UHFFFAOYSA-N 1 2 327.391 1.152 20 30 EDEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CC[C@](C)(O)C1)C1CCOCC1 ZINC000329520276 444613346 /nfs/dbraw/zinc/61/33/46/444613346.db2.gz QHNGUDDGTLMHLX-PBHICJAKSA-N 1 2 336.436 1.741 20 30 EDEDLO Cc1noc(C2CCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)CC2)n1 ZINC000329540964 444620635 /nfs/dbraw/zinc/62/06/35/444620635.db2.gz DEPZSFDDEWETRO-LBPRGKRZSA-N 1 2 330.392 1.752 20 30 EDEDLO Cc1noc(C2CCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)CC2)n1 ZINC000329540964 444620639 /nfs/dbraw/zinc/62/06/39/444620639.db2.gz DEPZSFDDEWETRO-LBPRGKRZSA-N 1 2 330.392 1.752 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000329623202 444653536 /nfs/dbraw/zinc/65/35/36/444653536.db2.gz NQQRZXFEAWONCG-IHRRRGAJSA-N 1 2 346.456 1.950 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000329623202 444653537 /nfs/dbraw/zinc/65/35/37/444653537.db2.gz NQQRZXFEAWONCG-IHRRRGAJSA-N 1 2 346.456 1.950 20 30 EDEDLO C[C@@H]1CC(CNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C[C@@H](C)O1 ZINC000329793619 444719169 /nfs/dbraw/zinc/71/91/69/444719169.db2.gz BGDSDAPYUPDIBC-FMKPAKJESA-N 1 2 349.479 1.826 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000333613197 444685027 /nfs/dbraw/zinc/68/50/27/444685027.db2.gz XAAACDMGWQADPU-BBWFWOEESA-N 1 2 349.475 1.123 20 30 EDEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)C1CCC(=O)CC1 ZINC000329842474 444736563 /nfs/dbraw/zinc/73/65/63/444736563.db2.gz OXRNVYDAOVMYNA-MRXNPFEDSA-N 1 2 326.462 1.910 20 30 EDEDLO CCN(C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CC1 ZINC000329851617 444740445 /nfs/dbraw/zinc/74/04/45/444740445.db2.gz QWIRCIWEGLATPE-UHFFFAOYSA-N 1 2 331.420 1.499 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(C(F)(F)F)nn1)[NH+]1CCOCC1 ZINC000329900177 444758887 /nfs/dbraw/zinc/75/88/87/444758887.db2.gz FYPHAIUFJRRHFX-VHSXEESVSA-N 1 2 347.341 1.931 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC)CC1 ZINC000338603836 444770845 /nfs/dbraw/zinc/77/08/45/444770845.db2.gz XTJLQRLURBRKEG-AWEZNQCLSA-N 1 2 334.468 1.236 20 30 EDEDLO CCO[C@@H]1C[C@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)C12CCC2 ZINC000329833892 444734191 /nfs/dbraw/zinc/73/41/91/444734191.db2.gz UIYGMVKHTRLADK-SOUVJXGZSA-N 1 2 325.453 1.558 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(N4CCCC4)nc3)C[C@H]21 ZINC000329971519 444794168 /nfs/dbraw/zinc/79/41/68/444794168.db2.gz YOLKUYXILLCCSO-CABCVRRESA-N 1 2 331.420 1.242 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(N4CCCC4)nc3)C[C@H]21 ZINC000329971519 444794170 /nfs/dbraw/zinc/79/41/70/444794170.db2.gz YOLKUYXILLCCSO-CABCVRRESA-N 1 2 331.420 1.242 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CCN1C ZINC000329984939 444798979 /nfs/dbraw/zinc/79/89/79/444798979.db2.gz CRDNTTHOXDWZEZ-FPCVCCKLSA-N 1 2 347.463 1.580 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)CCN1C ZINC000329998260 444804862 /nfs/dbraw/zinc/80/48/62/444804862.db2.gz RZRXVSFBKLQTOL-RBSFLKMASA-N 1 2 333.436 1.190 20 30 EDEDLO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000330000781 444805873 /nfs/dbraw/zinc/80/58/73/444805873.db2.gz XCEPKBUHOMDSAZ-HZPDHXFCSA-N 1 2 331.416 1.465 20 30 EDEDLO CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000330000781 444805874 /nfs/dbraw/zinc/80/58/74/444805874.db2.gz XCEPKBUHOMDSAZ-HZPDHXFCSA-N 1 2 331.416 1.465 20 30 EDEDLO CN(C)c1nc2cc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)ccc2o1 ZINC000330129319 444855454 /nfs/dbraw/zinc/85/54/54/444855454.db2.gz OGWMUVNAVRYVKR-UKRRQHHQSA-N 1 2 345.403 1.454 20 30 EDEDLO CN(C)c1nc2cc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)ccc2o1 ZINC000330129319 444855457 /nfs/dbraw/zinc/85/54/57/444855457.db2.gz OGWMUVNAVRYVKR-UKRRQHHQSA-N 1 2 345.403 1.454 20 30 EDEDLO C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCCC[C@H]1C ZINC000330190944 444879394 /nfs/dbraw/zinc/87/93/94/444879394.db2.gz MTMWHOMHHDTLHF-HZSPNIEDSA-N 1 2 333.436 1.491 20 30 EDEDLO CC[N@H+](CCCNC(=O)[C@H](C)n1cnc(C#N)n1)c1ccccc1 ZINC000344288918 444882431 /nfs/dbraw/zinc/88/24/31/444882431.db2.gz XFBHNXHFMVYROY-AWEZNQCLSA-N 1 2 326.404 1.744 20 30 EDEDLO CC[N@@H+](CCCNC(=O)[C@H](C)n1cnc(C#N)n1)c1ccccc1 ZINC000344288918 444882434 /nfs/dbraw/zinc/88/24/34/444882434.db2.gz XFBHNXHFMVYROY-AWEZNQCLSA-N 1 2 326.404 1.744 20 30 EDEDLO Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000330245451 444904631 /nfs/dbraw/zinc/90/46/31/444904631.db2.gz DTRDKDKHLLBAPJ-HUUCEWRRSA-N 1 2 328.420 1.954 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)CCC2 ZINC000330386051 444961741 /nfs/dbraw/zinc/96/17/41/444961741.db2.gz AOIYJRYTRKHIBX-STQMWFEESA-N 1 2 342.465 1.348 20 30 EDEDLO CC(C)[C@H]1OCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000330328241 444939433 /nfs/dbraw/zinc/93/94/33/444939433.db2.gz LMMKVRNGCWHKKY-HUUCEWRRSA-N 1 2 327.469 1.662 20 30 EDEDLO CC(C)[C@H]1OCC[C@@H]1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000330328241 444939434 /nfs/dbraw/zinc/93/94/34/444939434.db2.gz LMMKVRNGCWHKKY-HUUCEWRRSA-N 1 2 327.469 1.662 20 30 EDEDLO CC(=O)N[C@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330543440 445026613 /nfs/dbraw/zinc/02/66/13/445026613.db2.gz TXIPDLFBEODVNC-NSHDSACASA-N 1 2 347.341 1.460 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1OC ZINC000337396804 445062126 /nfs/dbraw/zinc/06/21/26/445062126.db2.gz JQHJTCJFFRELIC-AWEZNQCLSA-N 1 2 325.430 1.879 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1OC ZINC000337396804 445062130 /nfs/dbraw/zinc/06/21/30/445062130.db2.gz JQHJTCJFFRELIC-AWEZNQCLSA-N 1 2 325.430 1.879 20 30 EDEDLO CN(C)C(=O)NCC[N@H+](C)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000330706226 445105002 /nfs/dbraw/zinc/10/50/02/445105002.db2.gz SZMUTQBXVTUUQB-UHFFFAOYSA-N 1 2 339.465 1.368 20 30 EDEDLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000330706226 445105006 /nfs/dbraw/zinc/10/50/06/445105006.db2.gz SZMUTQBXVTUUQB-UHFFFAOYSA-N 1 2 339.465 1.368 20 30 EDEDLO CC(=O)Nc1cc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)ccc1F ZINC000330714584 445108540 /nfs/dbraw/zinc/10/85/40/445108540.db2.gz SHILZDSQKWVCQD-ZDUSSCGKSA-N 1 2 337.399 1.356 20 30 EDEDLO CC(=O)Nc1cc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)ccc1F ZINC000330714584 445108545 /nfs/dbraw/zinc/10/85/45/445108545.db2.gz SHILZDSQKWVCQD-ZDUSSCGKSA-N 1 2 337.399 1.356 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)OCC ZINC000339440388 445141396 /nfs/dbraw/zinc/14/13/96/445141396.db2.gz RMYAAZWJZHXUTR-GOEBONIOSA-N 1 2 337.464 1.169 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000343258442 445165049 /nfs/dbraw/zinc/16/50/49/445165049.db2.gz IDFZWYPDGQBYKB-HOTGVXAUSA-N 1 2 337.464 1.028 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(OCCO)CC1 ZINC000339779957 445169078 /nfs/dbraw/zinc/16/90/78/445169078.db2.gz LCUDGXUADDOYLG-UHFFFAOYSA-N 1 2 349.456 1.714 20 30 EDEDLO Cc1cc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)cc(C#N)n1 ZINC000342060848 445150985 /nfs/dbraw/zinc/15/09/85/445150985.db2.gz KLMORCMRSUCNPP-UHFFFAOYSA-N 1 2 341.459 1.833 20 30 EDEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCSC[C@@H]2CO)c1C ZINC000330834077 445159680 /nfs/dbraw/zinc/15/96/80/445159680.db2.gz KBOQIQXZOUBNJZ-ZDUSSCGKSA-N 1 2 337.445 1.375 20 30 EDEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCSC[C@@H]2CO)c1C ZINC000330834077 445159682 /nfs/dbraw/zinc/15/96/82/445159682.db2.gz KBOQIQXZOUBNJZ-ZDUSSCGKSA-N 1 2 337.445 1.375 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000330948418 445199471 /nfs/dbraw/zinc/19/94/71/445199471.db2.gz MOSPKYGFHOGCNU-GXSJLCMTSA-N 1 2 326.347 1.500 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000330948418 445199472 /nfs/dbraw/zinc/19/94/72/445199472.db2.gz MOSPKYGFHOGCNU-GXSJLCMTSA-N 1 2 326.347 1.500 20 30 EDEDLO COCC1(C#N)CCN(C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000343337896 445204000 /nfs/dbraw/zinc/20/40/00/445204000.db2.gz IHGVSOYCRANYMC-CVEARBPZSA-N 1 2 342.443 1.933 20 30 EDEDLO Cc1nc(C)n(C[C@@H]2C[N@H+](Cc3ccc(CC#N)cc3)CCO2)n1 ZINC000343515845 445236997 /nfs/dbraw/zinc/23/69/97/445236997.db2.gz USFMBUHXOMNQIW-SFHVURJKSA-N 1 2 325.416 1.862 20 30 EDEDLO Cc1nc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CCO2)n1 ZINC000343515845 445236998 /nfs/dbraw/zinc/23/69/98/445236998.db2.gz USFMBUHXOMNQIW-SFHVURJKSA-N 1 2 325.416 1.862 20 30 EDEDLO CC#CCCNC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000347937979 445257208 /nfs/dbraw/zinc/25/72/08/445257208.db2.gz BVLVTRGUKLEEPK-RHSMWYFYSA-N 1 2 343.431 1.327 20 30 EDEDLO C=C(C)CN(Cc1ccc(CO)o1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000343604447 445260038 /nfs/dbraw/zinc/26/00/38/445260038.db2.gz ZJQVQEQFYGLWIZ-UHFFFAOYSA-N 1 2 328.376 1.614 20 30 EDEDLO C=CCCCNC(=O)N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000348063888 445264482 /nfs/dbraw/zinc/26/44/82/445264482.db2.gz TWOYHGOYFJAYAM-YOEHRIQHSA-N 1 2 345.447 1.880 20 30 EDEDLO CN(C[C@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1ncccc1C#N ZINC000359664444 445364532 /nfs/dbraw/zinc/36/45/32/445364532.db2.gz YSCCQZQFKGNMHT-JKSUJKDBSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1ncccc1C#N ZINC000359664444 445364535 /nfs/dbraw/zinc/36/45/35/445364535.db2.gz YSCCQZQFKGNMHT-JKSUJKDBSA-N 1 2 328.395 1.736 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000357091959 445422261 /nfs/dbraw/zinc/42/22/61/445422261.db2.gz XVACYQSGGBZYQT-CQSZACIVSA-N 1 2 347.415 1.027 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000357091959 445422264 /nfs/dbraw/zinc/42/22/64/445422264.db2.gz XVACYQSGGBZYQT-CQSZACIVSA-N 1 2 347.415 1.027 20 30 EDEDLO CCOC(=O)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC000359843808 445456901 /nfs/dbraw/zinc/45/69/01/445456901.db2.gz RXKGAZMMUIHGNZ-WBVHZDCISA-N 1 2 332.400 1.885 20 30 EDEDLO N#CC1(F)CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000352492080 445533911 /nfs/dbraw/zinc/53/39/11/445533911.db2.gz VKFGZQFCGVQZIS-UHFFFAOYSA-N 1 2 341.390 1.816 20 30 EDEDLO COc1ccc(OC)c(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000360068182 445552281 /nfs/dbraw/zinc/55/22/81/445552281.db2.gz GGSKLKHNRPEZHH-QGZVFWFLSA-N 1 2 325.368 1.892 20 30 EDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000352816257 445556994 /nfs/dbraw/zinc/55/69/94/445556994.db2.gz NVWGGAQUTMLCGS-CYBMUJFWSA-N 1 2 337.420 1.773 20 30 EDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000352816257 445556995 /nfs/dbraw/zinc/55/69/95/445556995.db2.gz NVWGGAQUTMLCGS-CYBMUJFWSA-N 1 2 337.420 1.773 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000356077000 445606228 /nfs/dbraw/zinc/60/62/28/445606228.db2.gz KEZILSNFJPPPGX-HLLBOEOZSA-N 1 2 343.427 1.647 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000611080947 450425228 /nfs/dbraw/zinc/42/52/28/450425228.db2.gz VRMNNIQMBMNAGO-INIZCTEOSA-N 1 2 344.440 1.866 20 30 EDEDLO CC(C)(CCC#N)CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000349664698 445640758 /nfs/dbraw/zinc/64/07/58/445640758.db2.gz HKHSQCBKEBMSTL-UHFFFAOYSA-N 1 2 348.451 1.667 20 30 EDEDLO CO[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000349775533 445674029 /nfs/dbraw/zinc/67/40/29/445674029.db2.gz RFCSRYBQKGPHHK-ZWKOTPCHSA-N 1 2 342.443 1.953 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000360300611 445685567 /nfs/dbraw/zinc/68/55/67/445685567.db2.gz NRROYJHECLKCQO-HNNXBMFYSA-N 1 2 336.480 1.701 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)C2=O)cc1 ZINC000356307070 445727499 /nfs/dbraw/zinc/72/74/99/445727499.db2.gz YNGVUWAOGLKYJU-MRXNPFEDSA-N 1 2 337.383 1.457 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000356348207 445745835 /nfs/dbraw/zinc/74/58/35/445745835.db2.gz AMNYYTZKXWHIFW-GOEBONIOSA-N 1 2 348.447 1.071 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000356348207 445745836 /nfs/dbraw/zinc/74/58/36/445745836.db2.gz AMNYYTZKXWHIFW-GOEBONIOSA-N 1 2 348.447 1.071 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1Cc2cccc(F)c2O1 ZINC000363265344 445746165 /nfs/dbraw/zinc/74/61/65/445746165.db2.gz BKRRGOCWEBUZPF-MRXNPFEDSA-N 1 2 347.390 1.204 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)CCCCC1 ZINC000361635591 445859638 /nfs/dbraw/zinc/85/96/38/445859638.db2.gz FOJIIYLMDXFNQB-HNNXBMFYSA-N 1 2 327.432 1.999 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3ccncn3)C2)CCCCC1 ZINC000361635591 445859641 /nfs/dbraw/zinc/85/96/41/445859641.db2.gz FOJIIYLMDXFNQB-HNNXBMFYSA-N 1 2 327.432 1.999 20 30 EDEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000350872488 445936208 /nfs/dbraw/zinc/93/62/08/445936208.db2.gz VNXBFMGEOLCLHI-QWRGUYRKSA-N 1 2 338.389 1.180 20 30 EDEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000350872488 445936211 /nfs/dbraw/zinc/93/62/11/445936211.db2.gz VNXBFMGEOLCLHI-QWRGUYRKSA-N 1 2 338.389 1.180 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCCN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000372979005 445955792 /nfs/dbraw/zinc/95/57/92/445955792.db2.gz TUUXXQDCLWWANO-INIZCTEOSA-N 1 2 344.440 1.903 20 30 EDEDLO N#Cc1cnn2cc(CN3CC[NH+](Cc4cccnc4)CC3)cnc12 ZINC000582606879 325885175 /nfs/dbraw/zinc/88/51/75/325885175.db2.gz ZMQOGIAOXGDQMH-UHFFFAOYSA-N 1 2 333.399 1.314 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2sccc2C#N)C1 ZINC000364713658 445948152 /nfs/dbraw/zinc/94/81/52/445948152.db2.gz GNABAFPYLLLDMQ-GFCCVEGCSA-N 1 2 342.428 1.338 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2sccc2C#N)C1 ZINC000364713658 445948154 /nfs/dbraw/zinc/94/81/54/445948154.db2.gz GNABAFPYLLLDMQ-GFCCVEGCSA-N 1 2 342.428 1.338 20 30 EDEDLO CCc1nc(C[NH+]2C[C@@H]3CN(c4c(C#N)cccc4C#N)C[C@H]3C2)no1 ZINC000373064897 446002877 /nfs/dbraw/zinc/00/28/77/446002877.db2.gz ZEWRVHORAZQQJP-HZPDHXFCSA-N 1 2 348.410 1.944 20 30 EDEDLO COC(=O)[C@H]1C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CC12CCC2 ZINC000373178129 446078077 /nfs/dbraw/zinc/07/80/77/446078077.db2.gz GIBIOJCHDKNPDU-CQSZACIVSA-N 1 2 345.399 1.982 20 30 EDEDLO COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CC12CCC2 ZINC000373178129 446078080 /nfs/dbraw/zinc/07/80/80/446078080.db2.gz GIBIOJCHDKNPDU-CQSZACIVSA-N 1 2 345.399 1.982 20 30 EDEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@H]1CCCCNC1=O ZINC000369832505 446159182 /nfs/dbraw/zinc/15/91/82/446159182.db2.gz ZKXZDUSXZGDXCR-AWEZNQCLSA-N 1 2 346.456 1.841 20 30 EDEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@H]1CCCCNC1=O ZINC000369832505 446159187 /nfs/dbraw/zinc/15/91/87/446159187.db2.gz ZKXZDUSXZGDXCR-AWEZNQCLSA-N 1 2 346.456 1.841 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366428505 446209899 /nfs/dbraw/zinc/20/98/99/446209899.db2.gz HZEILLCUVAKLBA-CQSZACIVSA-N 1 2 329.466 1.038 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366428505 446209900 /nfs/dbraw/zinc/20/99/00/446209900.db2.gz HZEILLCUVAKLBA-CQSZACIVSA-N 1 2 329.466 1.038 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000370344663 446238863 /nfs/dbraw/zinc/23/88/63/446238863.db2.gz ZCRIAZDDTXXUSX-DLBZAZTESA-N 1 2 332.400 1.980 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000370344663 446238867 /nfs/dbraw/zinc/23/88/67/446238867.db2.gz ZCRIAZDDTXXUSX-DLBZAZTESA-N 1 2 332.400 1.980 20 30 EDEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H](C)O2 ZINC000374027554 446347939 /nfs/dbraw/zinc/34/79/39/446347939.db2.gz NRTAAEAYPGOWJO-IDCJVQTKSA-N 1 2 335.448 1.453 20 30 EDEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H](C)O2 ZINC000374027554 446347942 /nfs/dbraw/zinc/34/79/42/446347942.db2.gz NRTAAEAYPGOWJO-IDCJVQTKSA-N 1 2 335.448 1.453 20 30 EDEDLO CCOC1CC(CNC(=O)N(C)C[C@@H](C)C#N)([NH+]2CCOCC2)C1 ZINC000365814989 446354295 /nfs/dbraw/zinc/35/42/95/446354295.db2.gz JZVUCNSWHOZVPD-UQPPLGOBSA-N 1 2 338.452 1.057 20 30 EDEDLO C=C(C)Cn1c(N(C)CC[NH+]2CCOCC2)nnc1[C@]1(C)CCCO1 ZINC000453462979 446558545 /nfs/dbraw/zinc/55/85/45/446558545.db2.gz IGTNLAWNBJICML-SFHVURJKSA-N 1 2 349.479 1.648 20 30 EDEDLO COCC[N@H+](CCC1(C#N)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000411405812 446523150 /nfs/dbraw/zinc/52/31/50/446523150.db2.gz AWDCJRYTHPTQRC-HNNXBMFYSA-N 1 2 328.478 1.986 20 30 EDEDLO COCC[N@@H+](CCC1(C#N)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000411405812 446523161 /nfs/dbraw/zinc/52/31/61/446523161.db2.gz AWDCJRYTHPTQRC-HNNXBMFYSA-N 1 2 328.478 1.986 20 30 EDEDLO C[N@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)CC(C)(C)C#N ZINC000433297447 446552961 /nfs/dbraw/zinc/55/29/61/446552961.db2.gz LJXQCCXDSVOZDE-UHFFFAOYSA-N 1 2 342.443 1.677 20 30 EDEDLO C[N@@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)CC(C)(C)C#N ZINC000433297447 446552964 /nfs/dbraw/zinc/55/29/64/446552964.db2.gz LJXQCCXDSVOZDE-UHFFFAOYSA-N 1 2 342.443 1.677 20 30 EDEDLO CC[C@@H]1CN(C(=O)c2ccc(C#N)c(C)n2)C[C@H]1[NH+]1CCOCC1 ZINC000371069544 446610201 /nfs/dbraw/zinc/61/02/01/446610201.db2.gz OGQRKEKMDXBVIH-RHSMWYFYSA-N 1 2 328.416 1.445 20 30 EDEDLO C#CCC(CC#C)C(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000376618939 446609241 /nfs/dbraw/zinc/60/92/41/446609241.db2.gz RNASESSQSBCWKQ-UHFFFAOYSA-N 1 2 341.455 1.390 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCNC(=O)C[C@@H]2C)c1C ZINC000371184681 446677364 /nfs/dbraw/zinc/67/73/64/446677364.db2.gz OXYCQDRGZZFDNO-HNNXBMFYSA-N 1 2 342.443 1.761 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCNC(=O)C[C@@H]2C)c1C ZINC000371184681 446677367 /nfs/dbraw/zinc/67/73/67/446677367.db2.gz OXYCQDRGZZFDNO-HNNXBMFYSA-N 1 2 342.443 1.761 20 30 EDEDLO C=C[C@@H](CC(=O)N1CCC[N@@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000371164599 446666316 /nfs/dbraw/zinc/66/63/16/446666316.db2.gz OXGLDDJUCDSTIX-INIZCTEOSA-N 1 2 329.444 1.627 20 30 EDEDLO C=C[C@@H](CC(=O)N1CCC[N@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000371164599 446666319 /nfs/dbraw/zinc/66/63/19/446666319.db2.gz OXGLDDJUCDSTIX-INIZCTEOSA-N 1 2 329.444 1.627 20 30 EDEDLO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411905787 446715197 /nfs/dbraw/zinc/71/51/97/446715197.db2.gz CGVDDAJSDZMGKJ-WOPDTQHZSA-N 1 2 349.456 1.517 20 30 EDEDLO COC[C@@H]1C[C@H](O)C[N@H+]1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411905787 446715200 /nfs/dbraw/zinc/71/52/00/446715200.db2.gz CGVDDAJSDZMGKJ-WOPDTQHZSA-N 1 2 349.456 1.517 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](n3cncn3)C2)C1=O ZINC000375334338 446729461 /nfs/dbraw/zinc/72/94/61/446729461.db2.gz WMEKXTFTDNKKMG-OLZOCXBDSA-N 1 2 328.401 1.264 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](n3cncn3)C2)C1=O ZINC000375334338 446729466 /nfs/dbraw/zinc/72/94/66/446729466.db2.gz WMEKXTFTDNKKMG-OLZOCXBDSA-N 1 2 328.401 1.264 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1COC ZINC000411922638 446733166 /nfs/dbraw/zinc/73/31/66/446733166.db2.gz LWWUFQAXPAPCER-KBPBESRZSA-N 1 2 336.457 1.985 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1COC ZINC000411922638 446733173 /nfs/dbraw/zinc/73/31/73/446733173.db2.gz LWWUFQAXPAPCER-KBPBESRZSA-N 1 2 336.457 1.985 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000440404004 446842369 /nfs/dbraw/zinc/84/23/69/446842369.db2.gz TWQINXANOIKHIX-OAHLLOKOSA-N 1 2 326.849 1.705 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000440404004 446842372 /nfs/dbraw/zinc/84/23/72/446842372.db2.gz TWQINXANOIKHIX-OAHLLOKOSA-N 1 2 326.849 1.705 20 30 EDEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441010164 446861098 /nfs/dbraw/zinc/86/10/98/446861098.db2.gz HXXXGFFSKOJCIU-LSDHHAIUSA-N 1 2 344.411 1.311 20 30 EDEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441010164 446861102 /nfs/dbraw/zinc/86/11/02/446861102.db2.gz HXXXGFFSKOJCIU-LSDHHAIUSA-N 1 2 344.411 1.311 20 30 EDEDLO Cn1ncc2c1nc(N1CCCN(c3ccc(C#N)cc3)CC1)[nH+]c2N ZINC000375518884 446868330 /nfs/dbraw/zinc/86/83/30/446868330.db2.gz GOSPTWFDJQAZBN-UHFFFAOYSA-N 1 2 348.414 1.534 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1)OCC ZINC000412355098 446945883 /nfs/dbraw/zinc/94/58/83/446945883.db2.gz AQJWXJCDGZNYSJ-GJZGRUSLSA-N 1 2 326.437 1.359 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1)OCC ZINC000412355098 446945889 /nfs/dbraw/zinc/94/58/89/446945889.db2.gz AQJWXJCDGZNYSJ-GJZGRUSLSA-N 1 2 326.437 1.359 20 30 EDEDLO C=CCOCCNC(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000371676581 446947708 /nfs/dbraw/zinc/94/77/08/446947708.db2.gz OEXWQYJDUPZVHP-UHFFFAOYSA-N 1 2 335.452 1.323 20 30 EDEDLO C=CCOCCNC(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000371676581 446947715 /nfs/dbraw/zinc/94/77/15/446947715.db2.gz OEXWQYJDUPZVHP-UHFFFAOYSA-N 1 2 335.452 1.323 20 30 EDEDLO C=CCOCCNC(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000371676581 446947717 /nfs/dbraw/zinc/94/77/17/446947717.db2.gz OEXWQYJDUPZVHP-UHFFFAOYSA-N 1 2 335.452 1.323 20 30 EDEDLO Cc1cc(NCc2cccc(S(=O)(=O)NC(C)C)c2)c(C#N)c[nH+]1 ZINC000425207420 447062844 /nfs/dbraw/zinc/06/28/44/447062844.db2.gz LKRBPHJLFNUOTH-UHFFFAOYSA-N 1 2 344.440 1.982 20 30 EDEDLO CCN1CC[NH+]([C@H]2CCN(c3ncc4c(c3C#N)CCC4)C2)CC1 ZINC000425231820 447073382 /nfs/dbraw/zinc/07/33/82/447073382.db2.gz SYPRURBHLBUGNJ-INIZCTEOSA-N 1 2 325.460 1.658 20 30 EDEDLO Cc1cc(NC(=O)NCc2[nH+]ccn2C)nn1-c1cccc(C#N)c1 ZINC000372483513 447079591 /nfs/dbraw/zinc/07/95/91/447079591.db2.gz VFWGAWITRLYYMN-UHFFFAOYSA-N 1 2 335.371 2.108 20 30 EDEDLO C[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000425400490 447147246 /nfs/dbraw/zinc/14/72/46/447147246.db2.gz XZNAPVBVXLVYSN-CABCVRRESA-N 1 2 330.432 1.981 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CCCCC1 ZINC000444727050 447131084 /nfs/dbraw/zinc/13/10/84/447131084.db2.gz PGJCRFCWUTZBDT-OCCSQVGLSA-N 1 2 347.381 1.964 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CCCCC1 ZINC000444727050 447131090 /nfs/dbraw/zinc/13/10/90/447131090.db2.gz PGJCRFCWUTZBDT-OCCSQVGLSA-N 1 2 347.381 1.964 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1nccc(C#N)n1 ZINC000450462930 447497312 /nfs/dbraw/zinc/49/73/12/447497312.db2.gz KOHRWCPDZUCEGS-JSGCOSHPSA-N 1 2 330.367 1.978 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNc1nccc(C#N)n1 ZINC000450462930 447497317 /nfs/dbraw/zinc/49/73/17/447497317.db2.gz KOHRWCPDZUCEGS-JSGCOSHPSA-N 1 2 330.367 1.978 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ncc(C#N)cc2[N+](=O)[O-])C1 ZINC000450539818 447519868 /nfs/dbraw/zinc/51/98/68/447519868.db2.gz MPVHLHFEFISRBJ-NSHDSACASA-N 1 2 333.348 1.158 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ncc(C#N)cc2[N+](=O)[O-])C1 ZINC000450539818 447519877 /nfs/dbraw/zinc/51/98/77/447519877.db2.gz MPVHLHFEFISRBJ-NSHDSACASA-N 1 2 333.348 1.158 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000458755648 447471133 /nfs/dbraw/zinc/47/11/33/447471133.db2.gz DCEKWCQDJMVWDS-HDICACEKSA-N 1 2 345.443 1.914 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000458755648 447471138 /nfs/dbraw/zinc/47/11/38/447471138.db2.gz DCEKWCQDJMVWDS-HDICACEKSA-N 1 2 345.443 1.914 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1F ZINC000459125322 447585778 /nfs/dbraw/zinc/58/57/78/447585778.db2.gz QUCWGIJICISYKM-INIZCTEOSA-N 1 2 346.406 1.704 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2ccc(C#N)n2C)C1 ZINC000450874149 447601589 /nfs/dbraw/zinc/60/15/89/447601589.db2.gz DOVKHFAAHHNXHK-CQSZACIVSA-N 1 2 339.399 1.651 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451262909 447719110 /nfs/dbraw/zinc/71/91/10/447719110.db2.gz LLEKRYJDQJHPKG-DHSIGJKJSA-N 1 2 349.406 1.187 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451262909 447719115 /nfs/dbraw/zinc/71/91/15/447719115.db2.gz LLEKRYJDQJHPKG-DHSIGJKJSA-N 1 2 349.406 1.187 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429357370 447742694 /nfs/dbraw/zinc/74/26/94/447742694.db2.gz YMCVUXBCZFYMKB-GJZGRUSLSA-N 1 2 336.480 1.716 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451988493 447797371 /nfs/dbraw/zinc/79/73/71/447797371.db2.gz HFQFIBMGBIDNRX-HUUCEWRRSA-N 1 2 349.479 1.453 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451988493 447797372 /nfs/dbraw/zinc/79/73/72/447797372.db2.gz HFQFIBMGBIDNRX-HUUCEWRRSA-N 1 2 349.479 1.453 20 30 EDEDLO Cc1cc(C)c(C#N)c(NC[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)n1 ZINC000551775194 447908453 /nfs/dbraw/zinc/90/84/53/447908453.db2.gz UGUKCPAJMRANKL-XJKSGUPXSA-N 1 2 338.415 1.935 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(C(C)C)nc2CC)CC1 ZINC000491203229 447954376 /nfs/dbraw/zinc/95/43/76/447954376.db2.gz UHXAJKRPLAXRGM-UHFFFAOYSA-N 1 2 342.487 1.634 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)OC[C@@H]2c2ccccc2)CC1 ZINC000491241722 447969703 /nfs/dbraw/zinc/96/97/03/447969703.db2.gz LINDQNWSUARRNT-PKOBYXMFSA-N 1 2 341.455 1.226 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cnn(CC(C)C)c2C(C)C)CC1 ZINC000491414447 448018247 /nfs/dbraw/zinc/01/82/47/448018247.db2.gz CKXGYMXAQXUDPD-UHFFFAOYSA-N 1 2 345.491 1.852 20 30 EDEDLO C#CCNC(=O)C1CCN(c2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000491496141 448045271 /nfs/dbraw/zinc/04/52/71/448045271.db2.gz OAEFKRQRHILPHY-UHFFFAOYSA-N 1 2 337.427 1.662 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cn2c(=O)sc3c2CCCC3)CC1 ZINC000491407469 448016368 /nfs/dbraw/zinc/01/63/68/448016368.db2.gz RIXMMGRYHASVMO-UHFFFAOYSA-N 1 2 333.457 1.208 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)C(C)C)cc2)CC1 ZINC000491656001 448073974 /nfs/dbraw/zinc/07/39/74/448073974.db2.gz IASAKDYPIMUXMY-UHFFFAOYSA-N 1 2 327.428 1.715 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000491658541 448075958 /nfs/dbraw/zinc/07/59/58/448075958.db2.gz KJUBIPJCIBURKC-ZIAGYGMSSA-N 1 2 338.452 1.201 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000491658541 448075965 /nfs/dbraw/zinc/07/59/65/448075965.db2.gz KJUBIPJCIBURKC-ZIAGYGMSSA-N 1 2 338.452 1.201 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000491662244 448077699 /nfs/dbraw/zinc/07/76/99/448077699.db2.gz NYPFYCOXVJUYQC-QGZVFWFLSA-N 1 2 342.443 1.862 20 30 EDEDLO C#C[C@@H](CC)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000491750710 448104374 /nfs/dbraw/zinc/10/43/74/448104374.db2.gz IWSMCXJXBSPISY-ROUUACIJSA-N 1 2 329.444 1.641 20 30 EDEDLO CC(C)c1nc(C2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)no1 ZINC000576848361 448154959 /nfs/dbraw/zinc/15/49/59/448154959.db2.gz UYKHAQYAGKNBCI-UHFFFAOYSA-N 1 2 331.420 1.935 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cc(C(=O)OC)cc(F)c2C)CC1 ZINC000491768249 448114234 /nfs/dbraw/zinc/11/42/34/448114234.db2.gz HUEGPGQALHVJEE-UHFFFAOYSA-N 1 2 348.374 1.077 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)Cc2cccc(C#N)c2)C1 ZINC000571979576 448251737 /nfs/dbraw/zinc/25/17/37/448251737.db2.gz PRMCPCUJWIXMOW-MRXNPFEDSA-N 1 2 329.400 1.102 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)Cc2cccc(C#N)c2)C1 ZINC000571979576 448251744 /nfs/dbraw/zinc/25/17/44/448251744.db2.gz PRMCPCUJWIXMOW-MRXNPFEDSA-N 1 2 329.400 1.102 20 30 EDEDLO CN(C)c1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)ns1 ZINC000533007643 448343712 /nfs/dbraw/zinc/34/37/12/448343712.db2.gz YXSIDVZNDMYERX-UHFFFAOYSA-N 1 2 342.472 1.794 20 30 EDEDLO COc1ccc(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)c(OC)c1OC ZINC000565895292 448383851 /nfs/dbraw/zinc/38/38/51/448383851.db2.gz QUAXMHSXBVQHLU-GOSISDBHSA-N 1 2 349.431 1.605 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566104974 448390314 /nfs/dbraw/zinc/39/03/14/448390314.db2.gz SWHUVGYEPLAENW-QRVBRYPASA-N 1 2 344.455 1.985 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566104974 448390317 /nfs/dbraw/zinc/39/03/17/448390317.db2.gz SWHUVGYEPLAENW-QRVBRYPASA-N 1 2 344.455 1.985 20 30 EDEDLO CC(C)(CC#N)CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000516539880 448434825 /nfs/dbraw/zinc/43/48/25/448434825.db2.gz AVRRDUOLTBIFBT-GJZGRUSLSA-N 1 2 343.493 1.489 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1csc(-c2ncccc2F)n1 ZINC000516654242 448458239 /nfs/dbraw/zinc/45/82/39/448458239.db2.gz KJXVPKHOXOMZNS-OAHLLOKOSA-N 1 2 333.392 1.918 20 30 EDEDLO COc1ccc2ncc(C#N)c(N(C)CC[NH+]3CCOCC3)c2c1 ZINC000591907747 448563405 /nfs/dbraw/zinc/56/34/05/448563405.db2.gz NLLCTBSRVBCJKX-UHFFFAOYSA-N 1 2 326.400 1.883 20 30 EDEDLO C[C@@H](C#N)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000541018611 448664739 /nfs/dbraw/zinc/66/47/39/448664739.db2.gz GAJYYMRPBSTHFK-KBPBESRZSA-N 1 2 335.477 1.495 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147280 448706994 /nfs/dbraw/zinc/70/69/94/448706994.db2.gz NDWJYHKYVJYMMR-YVEFUNNKSA-N 1 2 331.372 1.135 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147280 448706997 /nfs/dbraw/zinc/70/69/97/448706997.db2.gz NDWJYHKYVJYMMR-YVEFUNNKSA-N 1 2 331.372 1.135 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000592149558 448710729 /nfs/dbraw/zinc/71/07/29/448710729.db2.gz RESNRICCBUTGQB-CYBMUJFWSA-N 1 2 339.193 1.133 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000592149558 448710731 /nfs/dbraw/zinc/71/07/31/448710731.db2.gz RESNRICCBUTGQB-CYBMUJFWSA-N 1 2 339.193 1.133 20 30 EDEDLO Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592150975 448711497 /nfs/dbraw/zinc/71/14/97/448711497.db2.gz LHGCJKPOUCRLRB-IBGZPJMESA-N 1 2 345.443 1.491 20 30 EDEDLO Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592150975 448711504 /nfs/dbraw/zinc/71/15/04/448711504.db2.gz LHGCJKPOUCRLRB-IBGZPJMESA-N 1 2 345.443 1.491 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000592151281 448711550 /nfs/dbraw/zinc/71/15/50/448711550.db2.gz LHKYVAZFYIBDDG-HOCLYGCPSA-N 1 2 337.782 1.935 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000592151281 448711554 /nfs/dbraw/zinc/71/15/54/448711554.db2.gz LHKYVAZFYIBDDG-HOCLYGCPSA-N 1 2 337.782 1.935 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000592151623 448713335 /nfs/dbraw/zinc/71/33/35/448713335.db2.gz OTNQRRZTBKNGLC-GDBMZVCRSA-N 1 2 330.344 1.051 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000592151623 448713339 /nfs/dbraw/zinc/71/33/39/448713339.db2.gz OTNQRRZTBKNGLC-GDBMZVCRSA-N 1 2 330.344 1.051 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000592151479 448713615 /nfs/dbraw/zinc/71/36/15/448713615.db2.gz PIICPOZTJXSJFI-WMZOPIPTSA-N 1 2 347.390 1.076 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000592151479 448713619 /nfs/dbraw/zinc/71/36/19/448713619.db2.gz PIICPOZTJXSJFI-WMZOPIPTSA-N 1 2 347.390 1.076 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)cc1C#N ZINC000574016201 448769231 /nfs/dbraw/zinc/76/92/31/448769231.db2.gz MDGGKQJWFCJBMD-UHFFFAOYSA-N 1 2 329.385 1.302 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000574096185 448790829 /nfs/dbraw/zinc/79/08/29/448790829.db2.gz NCYVYTZSRHYBEF-IJEWVQPXSA-N 1 2 346.431 1.009 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000519584738 448791248 /nfs/dbraw/zinc/79/12/48/448791248.db2.gz SEBUCEINJXHWDS-SJORKVTESA-N 1 2 331.416 1.984 20 30 EDEDLO N#Cc1ccncc1N1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000574302276 448841354 /nfs/dbraw/zinc/84/13/54/448841354.db2.gz UHPTZJLVXFPVJP-UHFFFAOYSA-N 1 2 346.394 1.492 20 30 EDEDLO C[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000592501817 448867673 /nfs/dbraw/zinc/86/76/73/448867673.db2.gz KIBBPEMGILOGHZ-CABCVRRESA-N 1 2 347.444 1.389 20 30 EDEDLO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000592501817 448867676 /nfs/dbraw/zinc/86/76/76/448867676.db2.gz KIBBPEMGILOGHZ-CABCVRRESA-N 1 2 347.444 1.389 20 30 EDEDLO C=C(C)CS(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000574509547 448888976 /nfs/dbraw/zinc/88/89/76/448888976.db2.gz KPKQXDAPLDBPBT-DOTOQJQBSA-N 1 2 338.473 1.771 20 30 EDEDLO C=C(C)CS(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000574509547 448888980 /nfs/dbraw/zinc/88/89/80/448888980.db2.gz KPKQXDAPLDBPBT-DOTOQJQBSA-N 1 2 338.473 1.771 20 30 EDEDLO N#CC[C@@]1(O)CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000592842775 449014375 /nfs/dbraw/zinc/01/43/75/449014375.db2.gz KWWAVZDLXFUFGM-SJLPKXTDSA-N 1 2 345.468 1.654 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)CCN1C ZINC000548346637 449028159 /nfs/dbraw/zinc/02/81/59/449028159.db2.gz DQSLYFZUFHEXSV-QGZVFWFLSA-N 1 2 349.438 1.839 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000589892141 449072824 /nfs/dbraw/zinc/07/28/24/449072824.db2.gz COBKQCVSQSZJQU-AWEZNQCLSA-N 1 2 331.401 1.484 20 30 EDEDLO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595608860 449077348 /nfs/dbraw/zinc/07/73/48/449077348.db2.gz AEAOSANMVLMUPG-OAHLLOKOSA-N 1 2 342.443 1.929 20 30 EDEDLO CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595608860 449077354 /nfs/dbraw/zinc/07/73/54/449077354.db2.gz AEAOSANMVLMUPG-OAHLLOKOSA-N 1 2 342.443 1.929 20 30 EDEDLO Cn1c2nnc(C[N@@H+]3CCC[C@@H](CC#N)C3)n2c2ccccc2c1=O ZINC000595612378 449078929 /nfs/dbraw/zinc/07/89/29/449078929.db2.gz VIJPQMRFUCQCHI-ZDUSSCGKSA-N 1 2 336.399 1.707 20 30 EDEDLO Cn1c2nnc(C[N@H+]3CCC[C@@H](CC#N)C3)n2c2ccccc2c1=O ZINC000595612378 449078931 /nfs/dbraw/zinc/07/89/31/449078931.db2.gz VIJPQMRFUCQCHI-ZDUSSCGKSA-N 1 2 336.399 1.707 20 30 EDEDLO CC#CCCNC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000548517236 449054869 /nfs/dbraw/zinc/05/48/69/449054869.db2.gz QPMJNTBQZNZUIW-UHFFFAOYSA-N 1 2 343.427 1.698 20 30 EDEDLO C[C@H](C#N)N(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000595712253 449127170 /nfs/dbraw/zinc/12/71/70/449127170.db2.gz IWEQGGMPOUJEBQ-CQSZACIVSA-N 1 2 332.473 1.769 20 30 EDEDLO C[C@@H](C#N)N(CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000595713967 449127896 /nfs/dbraw/zinc/12/78/96/449127896.db2.gz NCKFUZIYGQOQGT-AWEZNQCLSA-N 1 2 332.473 1.769 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H](C)OCC23CCC3)CC1 ZINC000593091319 449129611 /nfs/dbraw/zinc/12/96/11/449129611.db2.gz GBCCCUXSQQBQOG-DLBZAZTESA-N 1 2 348.491 1.322 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)OCC23CCC3)CC1 ZINC000593091319 449129615 /nfs/dbraw/zinc/12/96/15/449129615.db2.gz GBCCCUXSQQBQOG-DLBZAZTESA-N 1 2 348.491 1.322 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632016 449090960 /nfs/dbraw/zinc/09/09/60/449090960.db2.gz KRSYOLLOCBBQRO-CYBMUJFWSA-N 1 2 331.445 1.502 20 30 EDEDLO Cc1nccnc1N1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593028432 449108164 /nfs/dbraw/zinc/10/81/64/449108164.db2.gz GQPUDBGFHJONQJ-UHFFFAOYSA-N 1 2 338.371 1.887 20 30 EDEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000593028378 449108354 /nfs/dbraw/zinc/10/83/54/449108354.db2.gz CQXWQHXUYCSXHN-UHFFFAOYSA-N 1 2 346.341 1.932 20 30 EDEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000593028378 449108360 /nfs/dbraw/zinc/10/83/60/449108360.db2.gz CQXWQHXUYCSXHN-UHFFFAOYSA-N 1 2 346.341 1.932 20 30 EDEDLO C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000593154216 449153700 /nfs/dbraw/zinc/15/37/00/449153700.db2.gz AIIGXQKYFVEZQM-BLLLJJGKSA-N 1 2 337.445 1.154 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000593153059 449154026 /nfs/dbraw/zinc/15/40/26/449154026.db2.gz GLZDDEQKUUTVMW-INIZCTEOSA-N 1 2 333.392 1.006 20 30 EDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595786487 449164874 /nfs/dbraw/zinc/16/48/74/449164874.db2.gz RIQAJWIPBQLOLB-UXIGCNINSA-N 1 2 344.333 1.950 20 30 EDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595786487 449164879 /nfs/dbraw/zinc/16/48/79/449164879.db2.gz RIQAJWIPBQLOLB-UXIGCNINSA-N 1 2 344.333 1.950 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2COCCO2)c1 ZINC000595745642 449143867 /nfs/dbraw/zinc/14/38/67/449143867.db2.gz ZADFXZVJGPCWJH-GOSISDBHSA-N 1 2 345.443 1.897 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2COCCO2)c1 ZINC000595745642 449143872 /nfs/dbraw/zinc/14/38/72/449143872.db2.gz ZADFXZVJGPCWJH-GOSISDBHSA-N 1 2 345.443 1.897 20 30 EDEDLO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1nnc2n1CCCCC2 ZINC000595806550 449178677 /nfs/dbraw/zinc/17/86/77/449178677.db2.gz UXSXGKHZGWUKGT-ZIAGYGMSSA-N 1 2 332.452 1.806 20 30 EDEDLO C[C@H](CNC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000611173888 449200108 /nfs/dbraw/zinc/20/01/08/449200108.db2.gz POSKNVZLAZEYAA-SJORKVTESA-N 1 2 328.460 1.826 20 30 EDEDLO Cc1cccc(C)c1OCCNC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174763 449200986 /nfs/dbraw/zinc/20/09/86/449200986.db2.gz MBCAHAZYDKOVDA-UHFFFAOYSA-N 1 2 344.459 1.330 20 30 EDEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCN(CCC#N)CC1 ZINC000611175618 449202028 /nfs/dbraw/zinc/20/20/28/449202028.db2.gz JYLYLFZIJZESCE-OAHLLOKOSA-N 1 2 333.436 2.012 20 30 EDEDLO CCOC[C@@H](C(=O)OC)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000611208964 449216496 /nfs/dbraw/zinc/21/64/96/449216496.db2.gz XNFGMQLWHYENAU-HNNXBMFYSA-N 1 2 333.388 1.397 20 30 EDEDLO CCOC[C@@H](C(=O)OC)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000611208964 449216498 /nfs/dbraw/zinc/21/64/98/449216498.db2.gz XNFGMQLWHYENAU-HNNXBMFYSA-N 1 2 333.388 1.397 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H](C)CO1 ZINC000598000649 449186745 /nfs/dbraw/zinc/18/67/45/449186745.db2.gz YXGFQPLIPQAFHU-DFEHZGFQSA-N 1 2 327.428 1.887 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H](C)CO1 ZINC000598000649 449186753 /nfs/dbraw/zinc/18/67/53/449186753.db2.gz YXGFQPLIPQAFHU-DFEHZGFQSA-N 1 2 327.428 1.887 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)c(Cl)c1 ZINC000601968651 449251200 /nfs/dbraw/zinc/25/12/00/449251200.db2.gz PGVDSCIRDYVAQK-LLVKDONJSA-N 1 2 336.804 1.701 20 30 EDEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000611551121 449333218 /nfs/dbraw/zinc/33/32/18/449333218.db2.gz NGLDLQPHUASFSV-GOSISDBHSA-N 1 2 340.402 1.870 20 30 EDEDLO Cc1nc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H](C)O2)sc1SCC#N ZINC000602088782 449334823 /nfs/dbraw/zinc/33/48/23/449334823.db2.gz PCQGLMWWODHGBH-WPRPVWTQSA-N 1 2 326.447 1.725 20 30 EDEDLO Cc1nc(NC(=O)[C@@H]2C[N@H+](C)C[C@H](C)O2)sc1SCC#N ZINC000602088782 449334828 /nfs/dbraw/zinc/33/48/28/449334828.db2.gz PCQGLMWWODHGBH-WPRPVWTQSA-N 1 2 326.447 1.725 20 30 EDEDLO C[C@H](NC(=O)N1Cc2ccc(C#N)cc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000594222682 449396328 /nfs/dbraw/zinc/39/63/28/449396328.db2.gz ZFICABZMUZIOOM-KBPBESRZSA-N 1 2 328.416 1.693 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000596273113 449449177 /nfs/dbraw/zinc/44/91/77/449449177.db2.gz MYYBYTSJWZEXCS-HNNXBMFYSA-N 1 2 332.379 1.313 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000611902341 449465181 /nfs/dbraw/zinc/46/51/81/449465181.db2.gz NVMQAJNBIZLOQZ-UHFFFAOYSA-N 1 2 339.355 1.053 20 30 EDEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H](C)CC#N)CC2)c1 ZINC000596653838 449588078 /nfs/dbraw/zinc/58/80/78/449588078.db2.gz FMAJZVHMIYHDIN-CQSZACIVSA-N 1 2 331.416 1.898 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000596685640 449605043 /nfs/dbraw/zinc/60/50/43/449605043.db2.gz BFYVDTSVVZANEP-KURKYZTESA-N 1 2 349.438 1.933 20 30 EDEDLO CCOC(=O)C1CC[NH+](Cc2cn([C@H]3CC[C@H](C#N)C3)nn2)CC1 ZINC000600973060 449626162 /nfs/dbraw/zinc/62/61/62/449626162.db2.gz JCGZJYCRZGMMSP-BBRMVZONSA-N 1 2 331.420 1.918 20 30 EDEDLO N#CC1(NC(=O)c2ccc(NCC[NH+]3CCOCC3)c(F)c2)CCC1 ZINC000601017858 449655604 /nfs/dbraw/zinc/65/56/04/449655604.db2.gz QZJHBILZXXOCCQ-UHFFFAOYSA-N 1 2 346.406 1.746 20 30 EDEDLO N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598940317 449658924 /nfs/dbraw/zinc/65/89/24/449658924.db2.gz RCPSSWRBYGMRCF-CYBMUJFWSA-N 1 2 345.200 1.801 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NCCCC#N ZINC000612372355 449666486 /nfs/dbraw/zinc/66/64/86/449666486.db2.gz QNDAPRFCGMPZHN-HNNXBMFYSA-N 1 2 340.387 1.129 20 30 EDEDLO CCOC(=O)CCc1cc(NC2CCN(CC#N)CC2)nc(C)[nH+]1 ZINC000601114386 449698524 /nfs/dbraw/zinc/69/85/24/449698524.db2.gz ZVGYDDRJXRHZDV-UHFFFAOYSA-N 1 2 331.420 1.681 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3nc(C4CC4)no3)CC2)cc1 ZINC000601180388 449736801 /nfs/dbraw/zinc/73/68/01/449736801.db2.gz NQTSQSOHHAWRBP-UHFFFAOYSA-N 1 2 337.383 1.777 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc3oc(=O)n(C)c3c2)CC1 ZINC000602797197 449815938 /nfs/dbraw/zinc/81/59/38/449815938.db2.gz HHTQTJPOVHXFSZ-MRXNPFEDSA-N 1 2 328.416 1.797 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000599230036 449817305 /nfs/dbraw/zinc/81/73/05/449817305.db2.gz LYRWUXACPBLKDV-JKSUJKDBSA-N 1 2 333.457 1.926 20 30 EDEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602851978 449858885 /nfs/dbraw/zinc/85/88/85/449858885.db2.gz ZJCUFEBTHWENDP-BETUJISGSA-N 1 2 346.387 1.800 20 30 EDEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602851978 449858889 /nfs/dbraw/zinc/85/88/89/449858889.db2.gz ZJCUFEBTHWENDP-BETUJISGSA-N 1 2 346.387 1.800 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C[C@H](C)N1CC#N ZINC000602855554 449862239 /nfs/dbraw/zinc/86/22/39/449862239.db2.gz IBWXUAHEGVPKST-BETUJISGSA-N 1 2 336.386 1.499 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C[C@H](C)N1CC#N ZINC000602855554 449862242 /nfs/dbraw/zinc/86/22/42/449862242.db2.gz IBWXUAHEGVPKST-BETUJISGSA-N 1 2 336.386 1.499 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)NCCOc2cccc(F)c2)C[C@H](C)N1CC#N ZINC000602858964 449868232 /nfs/dbraw/zinc/86/82/32/449868232.db2.gz WHOUPLSNACEVRP-GJZGRUSLSA-N 1 2 348.422 1.239 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602860003 449868766 /nfs/dbraw/zinc/86/87/66/449868766.db2.gz HJQXVLPVRTUMCK-ZNMIVQPWSA-N 1 2 330.432 1.940 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602860003 449868770 /nfs/dbraw/zinc/86/87/70/449868770.db2.gz HJQXVLPVRTUMCK-ZNMIVQPWSA-N 1 2 330.432 1.940 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000601385267 449901489 /nfs/dbraw/zinc/90/14/89/449901489.db2.gz LZMJMKKZIRVBDP-VXGBXAGGSA-N 1 2 325.409 1.719 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000601385267 449901494 /nfs/dbraw/zinc/90/14/94/449901494.db2.gz LZMJMKKZIRVBDP-VXGBXAGGSA-N 1 2 325.409 1.719 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CC[C@@](C)(C#N)C2)c1C ZINC000595149749 449903049 /nfs/dbraw/zinc/90/30/49/449903049.db2.gz DNKWKZAINPYNCL-SFHVURJKSA-N 1 2 344.415 1.428 20 30 EDEDLO COCCc1noc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602911159 449914625 /nfs/dbraw/zinc/91/46/25/449914625.db2.gz XSOGMYCZVJWVCP-UHFFFAOYSA-N 1 2 327.388 1.905 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCN(c3ccccc3)C(=O)C2)CCOCC1 ZINC000599361634 449918277 /nfs/dbraw/zinc/91/82/77/449918277.db2.gz WAJUAGBMDGZOGO-QGZVFWFLSA-N 1 2 343.427 1.407 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCN(c3ccccc3)C(=O)C2)CCOCC1 ZINC000599361634 449918281 /nfs/dbraw/zinc/91/82/81/449918281.db2.gz WAJUAGBMDGZOGO-QGZVFWFLSA-N 1 2 343.427 1.407 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000609484652 450035410 /nfs/dbraw/zinc/03/54/10/450035410.db2.gz FCAIIEHCBWYBHY-ROUUACIJSA-N 1 2 326.444 1.958 20 30 EDEDLO Cc1nnc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c(C#N)c1C ZINC000609578076 450056926 /nfs/dbraw/zinc/05/69/26/450056926.db2.gz FNXCUAPNCOYZGX-UHFFFAOYSA-N 1 2 342.447 1.321 20 30 EDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609925883 450117246 /nfs/dbraw/zinc/11/72/46/450117246.db2.gz DPGCXCBXKCWVGF-JJPXPPDRSA-N 1 2 336.457 1.334 20 30 EDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609925883 450117248 /nfs/dbraw/zinc/11/72/48/450117248.db2.gz DPGCXCBXKCWVGF-JJPXPPDRSA-N 1 2 336.457 1.334 20 30 EDEDLO COC1CC[NH+](Cc2cn(CCOc3ccccc3C#N)nn2)CC1 ZINC000603211649 450146261 /nfs/dbraw/zinc/14/62/61/450146261.db2.gz PHJSGQJEIGHHHT-UHFFFAOYSA-N 1 2 341.415 1.840 20 30 EDEDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)C[C@H](C)O1 ZINC000599685553 450152736 /nfs/dbraw/zinc/15/27/36/450152736.db2.gz GCNDHONLDRBGCS-GASCZTMLSA-N 1 2 327.428 1.747 20 30 EDEDLO C[C@@H]1CN(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)C[C@H](C)O1 ZINC000599685553 450152740 /nfs/dbraw/zinc/15/27/40/450152740.db2.gz GCNDHONLDRBGCS-GASCZTMLSA-N 1 2 327.428 1.747 20 30 EDEDLO N#C[C@@]1(F)CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000615647334 450184864 /nfs/dbraw/zinc/18/48/64/450184864.db2.gz UXYQDFMHZBMNIV-INIZCTEOSA-N 1 2 336.436 1.330 20 30 EDEDLO N#Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000618715271 450281438 /nfs/dbraw/zinc/28/14/38/450281438.db2.gz BOGNJHIEJAJUJR-QGZVFWFLSA-N 1 2 349.456 1.187 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618798359 450304682 /nfs/dbraw/zinc/30/46/82/450304682.db2.gz VWCCZHXGAQKZPC-GUYCJALGSA-N 1 2 328.416 1.565 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CC(C3CCOCC3)C2)c1 ZINC000619706040 450312256 /nfs/dbraw/zinc/31/22/56/450312256.db2.gz LYROUBYHBYBWGT-UHFFFAOYSA-N 1 2 334.441 1.690 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000619719320 450319624 /nfs/dbraw/zinc/31/96/24/450319624.db2.gz OKYDSSFMVSQEFV-UYSNPLJNSA-N 1 2 337.464 1.027 20 30 EDEDLO C[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](C2CC2)O1 ZINC000625380632 450323054 /nfs/dbraw/zinc/32/30/54/450323054.db2.gz JAWCDLLBSSCCES-KSSFIOAISA-N 1 2 338.407 1.785 20 30 EDEDLO C[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](C2CC2)O1 ZINC000625380632 450323056 /nfs/dbraw/zinc/32/30/56/450323056.db2.gz JAWCDLLBSSCCES-KSSFIOAISA-N 1 2 338.407 1.785 20 30 EDEDLO C[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](C2CC2)O1 ZINC000625380633 450323533 /nfs/dbraw/zinc/32/35/33/450323533.db2.gz JAWCDLLBSSCCES-RDTXWAMCSA-N 1 2 338.407 1.785 20 30 EDEDLO C[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](C2CC2)O1 ZINC000625380633 450323539 /nfs/dbraw/zinc/32/35/39/450323539.db2.gz JAWCDLLBSSCCES-RDTXWAMCSA-N 1 2 338.407 1.785 20 30 EDEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000618893467 450328470 /nfs/dbraw/zinc/32/84/70/450328470.db2.gz MHCDUTHHBZAYIN-KRWDZBQOSA-N 1 2 325.412 1.917 20 30 EDEDLO C=C(C)CS(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680650 451518578 /nfs/dbraw/zinc/51/85/78/451518578.db2.gz STEKQZREDFBLAM-UHFFFAOYSA-N 1 2 327.475 1.630 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nn1 ZINC000640833249 451619492 /nfs/dbraw/zinc/61/94/92/451619492.db2.gz JXGRGKKKNXZXCZ-KCYZZUKISA-N 1 2 331.464 1.893 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nn1 ZINC000640837977 451624432 /nfs/dbraw/zinc/62/44/32/451624432.db2.gz FQICZCFGGQBHPX-UONOGXRCSA-N 1 2 343.406 1.969 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)nn1 ZINC000640852318 451638822 /nfs/dbraw/zinc/63/88/22/451638822.db2.gz QZDUGPSSZWGHEV-HZPDHXFCSA-N 1 2 339.443 1.872 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2c(F)cccc2F)nn1 ZINC000640894499 451678746 /nfs/dbraw/zinc/67/87/46/451678746.db2.gz XTDYXQAGMVTHQA-LLVKDONJSA-N 1 2 333.342 1.869 20 30 EDEDLO C=CCC[C@H](O)Cn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000641212058 451782901 /nfs/dbraw/zinc/78/29/01/451782901.db2.gz GKDJZFYUCMOGLM-IBGZPJMESA-N 1 2 341.459 1.927 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000649183219 451890581 /nfs/dbraw/zinc/89/05/81/451890581.db2.gz OJOMZTWZGPDSAT-QGZVFWFLSA-N 1 2 338.411 1.323 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C)o3)C2)nn1 ZINC000644680902 451935943 /nfs/dbraw/zinc/93/59/43/451935943.db2.gz HIIQKMSOYGIAEQ-CQSZACIVSA-N 1 2 344.419 1.497 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C)o3)C2)nn1 ZINC000644680902 451935951 /nfs/dbraw/zinc/93/59/51/451935951.db2.gz HIIQKMSOYGIAEQ-CQSZACIVSA-N 1 2 344.419 1.497 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](OC)C2)c(OC)c1 ZINC000639836664 452170276 /nfs/dbraw/zinc/17/02/76/452170276.db2.gz WAMPVUHMFJIDIC-YJBOKZPZSA-N 1 2 337.416 1.468 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](OC)C2)c(OC)c1 ZINC000639836664 452170283 /nfs/dbraw/zinc/17/02/83/452170283.db2.gz WAMPVUHMFJIDIC-YJBOKZPZSA-N 1 2 337.416 1.468 20 30 EDEDLO COCC#CC[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000677819297 487174576 /nfs/dbraw/zinc/17/45/76/487174576.db2.gz WXNYNQXKFPFMCW-UHFFFAOYSA-N 1 2 326.400 1.103 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000678889897 487376637 /nfs/dbraw/zinc/37/66/37/487376637.db2.gz AZAFSCHATROGQX-CQSZACIVSA-N 1 2 334.468 1.044 20 30 EDEDLO C=CCOCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000679585603 487441095 /nfs/dbraw/zinc/44/10/95/487441095.db2.gz COTXHVMDOKCDCW-OAHLLOKOSA-N 1 2 335.423 1.655 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)C[C@@H]21 ZINC000329740172 485552154 /nfs/dbraw/zinc/55/21/54/485552154.db2.gz VHIXZUOTRGTSLP-AALSBFMBSA-N 1 2 335.448 1.263 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)C[C@@H]21 ZINC000329740172 485552159 /nfs/dbraw/zinc/55/21/59/485552159.db2.gz VHIXZUOTRGTSLP-AALSBFMBSA-N 1 2 335.448 1.263 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000164627731 526591479 /nfs/dbraw/zinc/59/14/79/526591479.db2.gz YYUNDADXADDYJO-UHFFFAOYSA-N 1 2 330.432 1.437 20 30 EDEDLO C=C[C@](C)(CC)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000134997270 527609143 /nfs/dbraw/zinc/60/91/43/527609143.db2.gz UOFWNKIREYYCEF-LJQANCHMSA-N 1 2 344.459 1.839 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000177842312 527633469 /nfs/dbraw/zinc/63/34/69/527633469.db2.gz AFEPVSPWZPHBBR-ZDUSSCGKSA-N 1 2 335.477 1.558 20 30 EDEDLO CCOc1cccc(/C=[NH+]/C[C@H]2CCC[C@H]2NS(C)(=O)=O)c1O ZINC000129374219 528627813 /nfs/dbraw/zinc/62/78/13/528627813.db2.gz OYLMMMOSRCKZTI-JQWWKUHOSA-N 1 2 340.445 1.928 20 30 EDEDLO CCNC(=O)[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000339312853 535407925 /nfs/dbraw/zinc/40/79/25/535407925.db2.gz AMYUEPFYSAMBND-OAHLLOKOSA-N 1 2 327.388 1.859 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(Cc2noc(C)n2)C(C)=O)C1 ZINC000742228620 579443818 /nfs/dbraw/zinc/44/38/18/579443818.db2.gz FCEAUOROBIHROL-LBPRGKRZSA-N 1 2 343.225 1.709 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(Cc2noc(C)n2)C(C)=O)C1 ZINC000742228620 579443819 /nfs/dbraw/zinc/44/38/19/579443819.db2.gz FCEAUOROBIHROL-LBPRGKRZSA-N 1 2 343.225 1.709 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000743200022 579472988 /nfs/dbraw/zinc/47/29/88/579472988.db2.gz STSOKHNGWIWNNN-CYBMUJFWSA-N 1 2 335.379 1.680 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000743200022 579472990 /nfs/dbraw/zinc/47/29/90/579472990.db2.gz STSOKHNGWIWNNN-CYBMUJFWSA-N 1 2 335.379 1.680 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)nc1 ZINC000728809545 578552299 /nfs/dbraw/zinc/55/22/99/578552299.db2.gz POHUCRMLWXDIAF-IBGZPJMESA-N 1 2 335.407 1.866 20 30 EDEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000728928294 578554521 /nfs/dbraw/zinc/55/45/21/578554521.db2.gz PNUBJPAFCMQSLZ-JSGCOSHPSA-N 1 2 340.383 1.622 20 30 EDEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000728928294 578554522 /nfs/dbraw/zinc/55/45/22/578554522.db2.gz PNUBJPAFCMQSLZ-JSGCOSHPSA-N 1 2 340.383 1.622 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1cccc2ccccc21 ZINC000730282874 578639443 /nfs/dbraw/zinc/63/94/43/578639443.db2.gz QVJYSNBQAXQHKD-SFHVURJKSA-N 1 2 335.407 1.992 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1cccc2ccccc21 ZINC000730282874 578639445 /nfs/dbraw/zinc/63/94/45/578639445.db2.gz QVJYSNBQAXQHKD-SFHVURJKSA-N 1 2 335.407 1.992 20 30 EDEDLO N#Cc1cc(S(N)(=O)=O)ccc1NCCc1cn2ccccc2[nH+]1 ZINC000731902019 578682926 /nfs/dbraw/zinc/68/29/26/578682926.db2.gz SULLBLYBTFGKEE-UHFFFAOYSA-N 1 2 341.396 1.508 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000734435872 578814155 /nfs/dbraw/zinc/81/41/55/578814155.db2.gz WLNJRRMWDSYCLB-GOSISDBHSA-N 1 2 336.395 1.445 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C(N)=O)cc1 ZINC000737713403 579125623 /nfs/dbraw/zinc/12/56/23/579125623.db2.gz XHYRXSSDTIPUKH-HNNXBMFYSA-N 1 2 333.355 1.055 20 30 EDEDLO CN(C)c1nccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)n1 ZINC000739421719 579203635 /nfs/dbraw/zinc/20/36/35/579203635.db2.gz OLGHIJCXHSZCBO-UHFFFAOYSA-N 1 2 326.404 1.825 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000739912859 579267020 /nfs/dbraw/zinc/26/70/20/579267020.db2.gz WKOKAOJWHBRNLU-JKSUJKDBSA-N 1 2 330.384 1.857 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000739912859 579267021 /nfs/dbraw/zinc/26/70/21/579267021.db2.gz WKOKAOJWHBRNLU-JKSUJKDBSA-N 1 2 330.384 1.857 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 ZINC000744422939 579510218 /nfs/dbraw/zinc/51/02/18/579510218.db2.gz IARBDNUOPSIYGO-SFHVURJKSA-N 1 2 339.439 1.121 20 30 EDEDLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000745079180 579536565 /nfs/dbraw/zinc/53/65/65/579536565.db2.gz IXRSLJQIXGSLDB-JKSUJKDBSA-N 1 2 327.384 1.691 20 30 EDEDLO C[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000745079180 579536567 /nfs/dbraw/zinc/53/65/67/579536567.db2.gz IXRSLJQIXGSLDB-JKSUJKDBSA-N 1 2 327.384 1.691 20 30 EDEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1 ZINC000749790871 579739741 /nfs/dbraw/zinc/73/97/41/579739741.db2.gz ZUJBMOWOZADEEC-LBPRGKRZSA-N 1 2 345.403 1.710 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(CC(C)C)c2cccc(O)c2)CC1 ZINC000749800925 579740427 /nfs/dbraw/zinc/74/04/27/579740427.db2.gz BMZDYHXDYCTSAT-UHFFFAOYSA-N 1 2 329.444 1.632 20 30 EDEDLO C[C@@]([NH2+]CC(=O)NCCC#N)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000750058396 579750566 /nfs/dbraw/zinc/75/05/66/579750566.db2.gz SBAZALDYPFQRGD-AWEZNQCLSA-N 1 2 342.321 1.025 20 30 EDEDLO C=CC[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccncc1 ZINC000751800753 579822368 /nfs/dbraw/zinc/82/23/68/579822368.db2.gz SMWPHGVBKXQCGG-IRXDYDNUSA-N 1 2 348.447 1.033 20 30 EDEDLO CCOC(=O)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000754263283 579899796 /nfs/dbraw/zinc/89/97/96/579899796.db2.gz OGTOWKCOZFTAPS-YESZJQIVSA-N 1 2 332.400 1.540 20 30 EDEDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]CC(=O)NCCC#N)n2)cc1 ZINC000755163278 579921636 /nfs/dbraw/zinc/92/16/36/579921636.db2.gz KMWQMRNSVFYEIA-GFCCVEGCSA-N 1 2 327.388 1.979 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000755951626 579939448 /nfs/dbraw/zinc/93/94/48/579939448.db2.gz DHQPSCYAMCJDHX-QHCPKHFHSA-N 1 2 335.473 1.323 20 30 EDEDLO C[S@](=O)CCN1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000755951626 579939449 /nfs/dbraw/zinc/93/94/49/579939449.db2.gz DHQPSCYAMCJDHX-QHCPKHFHSA-N 1 2 335.473 1.323 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCCC[C@@H]1CCO ZINC000756028536 579942156 /nfs/dbraw/zinc/94/21/56/579942156.db2.gz OMVLDLUMHOHSBR-CQSZACIVSA-N 1 2 326.400 1.657 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000756028536 579942157 /nfs/dbraw/zinc/94/21/57/579942157.db2.gz OMVLDLUMHOHSBR-CQSZACIVSA-N 1 2 326.400 1.657 20 30 EDEDLO C#CCNC(=S)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000758190985 579976514 /nfs/dbraw/zinc/97/65/14/579976514.db2.gz QVEBJKSVLINVNY-UHFFFAOYSA-N 1 2 337.876 1.844 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000758248571 579978343 /nfs/dbraw/zinc/97/83/43/579978343.db2.gz VJBXNVUDINBIKY-JOCHJYFZSA-N 1 2 339.848 1.348 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000763560294 580101881 /nfs/dbraw/zinc/10/18/81/580101881.db2.gz LVGBFBVJQOTRCT-HSZRJFAPSA-N 1 2 335.473 1.323 20 30 EDEDLO C[S@@](=O)CCN1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000763560294 580101882 /nfs/dbraw/zinc/10/18/82/580101882.db2.gz LVGBFBVJQOTRCT-HSZRJFAPSA-N 1 2 335.473 1.323 20 30 EDEDLO C[C@H]1C(=NNC(=S)NCC[NH+]2CCOCC2)C[C@@H]1c1ccccc1 ZINC000767748845 580198534 /nfs/dbraw/zinc/19/85/34/580198534.db2.gz MCILRUCJSFYPQB-ZBFHGGJFSA-N 1 2 346.500 1.962 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(COC3CCOCC3)c2)CC1 ZINC000768925945 580224286 /nfs/dbraw/zinc/22/42/86/580224286.db2.gz PVOQYLYNTGDPDW-UHFFFAOYSA-N 1 2 342.439 1.773 20 30 EDEDLO Cc1nc(N2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)cc[nH+]1 ZINC000780661752 580530589 /nfs/dbraw/zinc/53/05/89/580530589.db2.gz YQQVXCFUDQETCX-UHFFFAOYSA-N 1 2 337.387 1.084 20 30 EDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000780679365 580531086 /nfs/dbraw/zinc/53/10/86/580531086.db2.gz AXFBDVKGJRNNNN-KBPBESRZSA-N 1 2 332.404 1.820 20 30 EDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000780679365 580531087 /nfs/dbraw/zinc/53/10/87/580531087.db2.gz AXFBDVKGJRNNNN-KBPBESRZSA-N 1 2 332.404 1.820 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC(=O)N(C)C[C@H]2C)c(OC)c1 ZINC000782593597 580579335 /nfs/dbraw/zinc/57/93/35/580579335.db2.gz CFDDGPJUQWHJTE-ZBFHGGJFSA-N 1 2 348.443 1.326 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC(=O)N(C)C[C@H]2C)c(OC)c1 ZINC000782593597 580579336 /nfs/dbraw/zinc/57/93/36/580579336.db2.gz CFDDGPJUQWHJTE-ZBFHGGJFSA-N 1 2 348.443 1.326 20 30 EDEDLO CC(C)OC[C@@H](O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782948627 580588928 /nfs/dbraw/zinc/58/89/28/580588928.db2.gz MXERWPDPEZFRPE-GFCCVEGCSA-N 1 2 331.210 1.872 20 30 EDEDLO C#CCOCCNc1c(C(=O)OCC)c[nH+]c2ccc(OC)cc21 ZINC000784240080 580616251 /nfs/dbraw/zinc/61/62/51/580616251.db2.gz RKFSYKIHWSYZPZ-UHFFFAOYSA-N 1 2 328.368 1.904 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCO1 ZINC000787137510 580688199 /nfs/dbraw/zinc/68/81/99/580688199.db2.gz JFHJVBWWJAWMCQ-CXAGYDPISA-N 1 2 328.416 1.565 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CCO1 ZINC000787137510 580688200 /nfs/dbraw/zinc/68/82/00/580688200.db2.gz JFHJVBWWJAWMCQ-CXAGYDPISA-N 1 2 328.416 1.565 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000787239355 580690323 /nfs/dbraw/zinc/69/03/23/580690323.db2.gz NGHQYXGJPKXLKC-QWRGUYRKSA-N 1 2 346.353 1.032 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000787239355 580690324 /nfs/dbraw/zinc/69/03/24/580690324.db2.gz NGHQYXGJPKXLKC-QWRGUYRKSA-N 1 2 346.353 1.032 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCc2ccc(OC)cc2)CC1 ZINC000788599009 580725478 /nfs/dbraw/zinc/72/54/78/580725478.db2.gz OZNBHEUJNYPYRM-UHFFFAOYSA-N 1 2 336.457 1.208 20 30 EDEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC[NH+](CCO)CC1 ZINC000790277445 580765769 /nfs/dbraw/zinc/76/57/69/580765769.db2.gz PKPNANXBZNHNLP-UHFFFAOYSA-N 1 2 326.318 1.193 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000793821053 580857151 /nfs/dbraw/zinc/85/71/51/580857151.db2.gz SIXJUEFZYZGNSN-GXTWGEPZSA-N 1 2 347.419 1.228 20 30 EDEDLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(C#N)CC1 ZINC000797605898 580978184 /nfs/dbraw/zinc/97/81/84/580978184.db2.gz XXBCNHMNGSBCBB-LLVKDONJSA-N 1 2 342.852 1.598 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000798276088 580992883 /nfs/dbraw/zinc/99/28/83/580992883.db2.gz YAEZFOZGMQJBMB-HUUCEWRRSA-N 1 2 344.415 1.634 20 30 EDEDLO COC[C@@H](C)NC(=S)N[NH+]=C(C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799106762 581016911 /nfs/dbraw/zinc/01/69/11/581016911.db2.gz FRYGLUOYLXMRQQ-MRVPVSSYSA-N 1 2 325.394 1.400 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1=O ZINC000799143271 581018604 /nfs/dbraw/zinc/01/86/04/581018604.db2.gz HSZJCTHBIREEDD-AWEZNQCLSA-N 1 2 329.360 1.621 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1=O ZINC000799143271 581018605 /nfs/dbraw/zinc/01/86/05/581018605.db2.gz HSZJCTHBIREEDD-AWEZNQCLSA-N 1 2 329.360 1.621 20 30 EDEDLO CCNc1nc(NCC)[nH+]c(NNC2=CC(=O)N3CCCC[C@H]23)n1 ZINC000799469620 581028638 /nfs/dbraw/zinc/02/86/38/581028638.db2.gz WJQYFUMQJVUURC-LLVKDONJSA-N 1 2 332.412 1.288 20 30 EDEDLO FC(F)C1CCC(=NNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000799468089 581028662 /nfs/dbraw/zinc/02/86/62/581028662.db2.gz PSWWAKRYXOFCSD-UHFFFAOYSA-N 1 2 334.436 1.594 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CSC)c2)C1 ZINC000891607393 591148130 /nfs/dbraw/zinc/14/81/30/591148130.db2.gz SQEJTFWVXANBIK-INIZCTEOSA-N 1 2 345.468 1.702 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(CSC)c2)C1 ZINC000891607393 591148131 /nfs/dbraw/zinc/14/81/31/591148131.db2.gz SQEJTFWVXANBIK-INIZCTEOSA-N 1 2 345.468 1.702 20 30 EDEDLO C#C[C@@H]1CCCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000896042474 591330260 /nfs/dbraw/zinc/33/02/60/591330260.db2.gz YFMQCKBTCBXHTO-MSOLQXFVSA-N 1 2 342.443 1.480 20 30 EDEDLO C#C[C@@H]1CCCCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000896042474 591330266 /nfs/dbraw/zinc/33/02/66/591330266.db2.gz YFMQCKBTCBXHTO-MSOLQXFVSA-N 1 2 342.443 1.480 20 30 EDEDLO C#CCC1(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CCOCC1 ZINC000888131498 591393277 /nfs/dbraw/zinc/39/32/77/591393277.db2.gz PIXPRVGXVBJDBL-UHFFFAOYSA-N 1 2 344.337 1.817 20 30 EDEDLO COC(=O)c1cnc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000894835578 591435837 /nfs/dbraw/zinc/43/58/37/591435837.db2.gz GEDLAEUAEUIMRR-GFCCVEGCSA-N 1 2 344.396 1.850 20 30 EDEDLO COC(=O)c1cnc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000894835578 591435840 /nfs/dbraw/zinc/43/58/40/591435840.db2.gz GEDLAEUAEUIMRR-GFCCVEGCSA-N 1 2 344.396 1.850 20 30 EDEDLO Cn1c[nH+]c(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000898613166 591439722 /nfs/dbraw/zinc/43/97/22/591439722.db2.gz ZHAUAZUTVVUCME-MRXNPFEDSA-N 1 2 325.372 1.575 20 30 EDEDLO Cn1c[nH+]c(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000898613164 591439795 /nfs/dbraw/zinc/43/97/95/591439795.db2.gz ZHAUAZUTVVUCME-INIZCTEOSA-N 1 2 325.372 1.575 20 30 EDEDLO C=CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cc1OC ZINC000896577916 591536930 /nfs/dbraw/zinc/53/69/30/591536930.db2.gz UOSLYUNZVUGSEF-ZBFHGGJFSA-N 1 2 347.459 1.624 20 30 EDEDLO C=CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)cc1OC ZINC000896577916 591536934 /nfs/dbraw/zinc/53/69/34/591536934.db2.gz UOSLYUNZVUGSEF-ZBFHGGJFSA-N 1 2 347.459 1.624 20 30 EDEDLO N#CCC(=O)N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000895065315 591559556 /nfs/dbraw/zinc/55/95/56/591559556.db2.gz CLOJKCHQCICFCM-UHFFFAOYSA-N 1 2 338.205 1.713 20 30 EDEDLO N#CCC(=O)N1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000895065679 591559582 /nfs/dbraw/zinc/55/95/82/591559582.db2.gz HBHWMEDADZPILD-UHFFFAOYSA-N 1 2 327.363 1.774 20 30 EDEDLO N#CC1CC[NH+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000141965689 591622714 /nfs/dbraw/zinc/62/27/14/591622714.db2.gz SMOCNLJSJBMBPU-UHFFFAOYSA-N 1 2 340.427 1.665 20 30 EDEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895164644 591630627 /nfs/dbraw/zinc/63/06/27/591630627.db2.gz HILIIBBZBAQWLS-JTQLQIEISA-N 1 2 336.314 1.139 20 30 EDEDLO C=C1CCC(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000896947567 591689549 /nfs/dbraw/zinc/68/95/49/591689549.db2.gz ASRDJAOYYMHSLA-MRXNPFEDSA-N 1 2 333.476 1.888 20 30 EDEDLO COCc1ncc2c(n1)CC[N@@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000895414241 591748901 /nfs/dbraw/zinc/74/89/01/591748901.db2.gz BXWRAYQUPZBTFZ-UHFFFAOYSA-N 1 2 334.383 1.701 20 30 EDEDLO COCc1ncc2c(n1)CC[N@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000895414241 591748904 /nfs/dbraw/zinc/74/89/04/591748904.db2.gz BXWRAYQUPZBTFZ-UHFFFAOYSA-N 1 2 334.383 1.701 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCn3nc(C(=O)OC)cc32)nn1 ZINC000897986856 591751148 /nfs/dbraw/zinc/75/11/48/591751148.db2.gz JWAYYKYLAGZBBD-CYBMUJFWSA-N 1 2 330.392 1.462 20 30 EDEDLO O=C1C[C@@H]([C@H]2CCCO2)CN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902607314 592024348 /nfs/dbraw/zinc/02/43/48/592024348.db2.gz HKNRBUKCVDJIPZ-GDBMZVCRSA-N 1 2 334.416 1.309 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000900592685 592062304 /nfs/dbraw/zinc/06/23/04/592062304.db2.gz LJLQQEXJIBCSSF-GUFYHEMZSA-N 1 2 330.428 1.959 20 30 EDEDLO N#Cc1ccccc1C(F)(F)C(=O)NCC[NH+]1CCSCC1 ZINC000900671863 592090319 /nfs/dbraw/zinc/09/03/19/592090319.db2.gz GGTCBGAHEWVNKT-UHFFFAOYSA-N 1 2 325.384 1.815 20 30 EDEDLO N#C[C@@H]1COCCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900845782 592145731 /nfs/dbraw/zinc/14/57/31/592145731.db2.gz CRZVPHKQLRNIHE-MRXNPFEDSA-N 1 2 325.372 1.360 20 30 EDEDLO C=C(CNC(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1)c1ccccc1 ZINC000908207991 592385281 /nfs/dbraw/zinc/38/52/81/592385281.db2.gz VUTNAHIAKGFIDA-HNNXBMFYSA-N 1 2 327.384 1.684 20 30 EDEDLO C=C(CNC(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1)c1ccccc1 ZINC000908207991 592385286 /nfs/dbraw/zinc/38/52/86/592385286.db2.gz VUTNAHIAKGFIDA-HNNXBMFYSA-N 1 2 327.384 1.684 20 30 EDEDLO C=CC[C@@H]([NH2+]C[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC ZINC000901596889 592406481 /nfs/dbraw/zinc/40/64/81/592406481.db2.gz SHAYIIZBEWCNEH-DYVFJYSZSA-N 1 2 342.436 1.720 20 30 EDEDLO C=CCn1c(-c2ncon2)nnc1N1CCN(C)c2[nH+]cccc2C1 ZINC000908737124 592589342 /nfs/dbraw/zinc/58/93/42/592589342.db2.gz WUGVMXUKXQQCTQ-UHFFFAOYSA-N 1 2 338.375 1.366 20 30 EDEDLO CO[C@H]1CC[N@H+](Cc2nc(C(=O)NCC#Cc3ccccc3)co2)C1 ZINC000905674783 592608469 /nfs/dbraw/zinc/60/84/69/592608469.db2.gz ZVNCVCATGARJEO-INIZCTEOSA-N 1 2 339.395 1.677 20 30 EDEDLO CO[C@H]1CC[N@@H+](Cc2nc(C(=O)NCC#Cc3ccccc3)co2)C1 ZINC000905674783 592608471 /nfs/dbraw/zinc/60/84/71/592608471.db2.gz ZVNCVCATGARJEO-INIZCTEOSA-N 1 2 339.395 1.677 20 30 EDEDLO C=CC[C@@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000905758936 592638215 /nfs/dbraw/zinc/63/82/15/592638215.db2.gz FMUFFEXYMHNTCO-OAHLLOKOSA-N 1 2 330.384 1.770 20 30 EDEDLO C#CC[C@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C(=O)OC ZINC000909888746 592708084 /nfs/dbraw/zinc/70/80/84/592708084.db2.gz DUFQXLBDBUXDQD-INIZCTEOSA-N 1 2 340.383 1.290 20 30 EDEDLO CN1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000907564577 592711042 /nfs/dbraw/zinc/71/10/42/592711042.db2.gz PHGJYEKKYOUZRS-GULCKSEBSA-N 1 2 327.432 1.945 20 30 EDEDLO CCN1CCN(C(=O)c2ccsc2C#N)C[C@H]1c1[nH+]ccn1C ZINC000907567913 592714045 /nfs/dbraw/zinc/71/40/45/592714045.db2.gz QRSUIBYEEWRQPH-ZDUSSCGKSA-N 1 2 329.429 1.872 20 30 EDEDLO CC(=O)CCn1cc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)nn1 ZINC000906316665 592793659 /nfs/dbraw/zinc/79/36/59/592793659.db2.gz FVAGGPHPVHKACV-UHFFFAOYSA-N 1 2 338.415 1.903 20 30 EDEDLO C/C(=C/C(=O)N[C@H]1CCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000907822067 592805220 /nfs/dbraw/zinc/80/52/20/592805220.db2.gz SFZKGJUKWRMEGI-BLSFAOBESA-N 1 2 325.412 1.940 20 30 EDEDLO C=CCC1(C(=O)NCCc2[nH]cc[nH+]2)CN(C(=O)OC(C)(C)C)C1 ZINC000906638378 592864360 /nfs/dbraw/zinc/86/43/60/592864360.db2.gz CFKNHSJSVQNYSD-UHFFFAOYSA-N 1 2 334.420 1.882 20 30 EDEDLO CCc1cc(=O)oc2cc(OC[C@H](O)C[N@H+](C)CCC#N)ccc12 ZINC000840753712 592935018 /nfs/dbraw/zinc/93/50/18/592935018.db2.gz UHHVHWGFVFXVNQ-CQSZACIVSA-N 1 2 330.384 1.941 20 30 EDEDLO CCc1cc(=O)oc2cc(OC[C@H](O)C[N@@H+](C)CCC#N)ccc12 ZINC000840753712 592935019 /nfs/dbraw/zinc/93/50/19/592935019.db2.gz UHHVHWGFVFXVNQ-CQSZACIVSA-N 1 2 330.384 1.941 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)c2coc(C[N@H+]3CC[C@H](OC)C3)n2)C1 ZINC000911515786 592938979 /nfs/dbraw/zinc/93/89/79/592938979.db2.gz VPGLGYXQCQIUSC-GJZGRUSLSA-N 1 2 331.416 1.771 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)c2coc(C[N@@H+]3CC[C@H](OC)C3)n2)C1 ZINC000911515786 592938981 /nfs/dbraw/zinc/93/89/81/592938981.db2.gz VPGLGYXQCQIUSC-GJZGRUSLSA-N 1 2 331.416 1.771 20 30 EDEDLO N#Cc1ccc2c(c1)CN(C(=O)c1coc(C[N@H+]3CC[C@H](O)C3)n1)C2 ZINC000912060396 593054069 /nfs/dbraw/zinc/05/40/69/593054069.db2.gz STCIHQILOSOCIV-HNNXBMFYSA-N 1 2 338.367 1.269 20 30 EDEDLO N#Cc1ccc2c(c1)CN(C(=O)c1coc(C[N@@H+]3CC[C@H](O)C3)n1)C2 ZINC000912060396 593054071 /nfs/dbraw/zinc/05/40/71/593054071.db2.gz STCIHQILOSOCIV-HNNXBMFYSA-N 1 2 338.367 1.269 20 30 EDEDLO C=CCCSCCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000912383889 593089775 /nfs/dbraw/zinc/08/97/75/593089775.db2.gz SMGMSQVHWZGTRJ-UHFFFAOYSA-N 1 2 337.489 1.859 20 30 EDEDLO NC(=[NH+]OCC(=O)NCC1CC1)c1ccc(Br)cc1 ZINC000782949567 593130865 /nfs/dbraw/zinc/13/08/65/593130865.db2.gz WVWZGBZDWSEODE-UHFFFAOYSA-N 1 2 326.194 1.612 20 30 EDEDLO C=CCN1C(=O)c2ccc(C(=O)O[C@H]3CC[N@@H+](CCF)C3)cc2C1=O ZINC000802244771 593238812 /nfs/dbraw/zinc/23/88/12/593238812.db2.gz SZZOEJLXDQHYAO-ZDUSSCGKSA-N 1 2 346.358 1.669 20 30 EDEDLO C=CCN1C(=O)c2ccc(C(=O)O[C@H]3CC[N@H+](CCF)C3)cc2C1=O ZINC000802244771 593238813 /nfs/dbraw/zinc/23/88/13/593238813.db2.gz SZZOEJLXDQHYAO-ZDUSSCGKSA-N 1 2 346.358 1.669 20 30 EDEDLO C=CCc1cc(OC)cc(C[N@H+]2CCOC[C@H]2CC(=O)OC)c1O ZINC000808213179 593240761 /nfs/dbraw/zinc/24/07/61/593240761.db2.gz NUYKGYAQESIGHG-OAHLLOKOSA-N 1 2 335.400 1.893 20 30 EDEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCOC[C@H]2CC(=O)OC)c1O ZINC000808213179 593240762 /nfs/dbraw/zinc/24/07/62/593240762.db2.gz NUYKGYAQESIGHG-OAHLLOKOSA-N 1 2 335.400 1.893 20 30 EDEDLO COCC#CC[NH+]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000808773162 593287199 /nfs/dbraw/zinc/28/71/99/593287199.db2.gz PJYPMEFHNGCZPS-MRXNPFEDSA-N 1 2 337.464 1.263 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccc(Cl)s1 ZINC000839388445 593294465 /nfs/dbraw/zinc/29/44/65/593294465.db2.gz IEDCFMPLJVNDEQ-UHFFFAOYSA-N 1 2 332.882 1.532 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(c2ccccc2OC)C(C)C)CC1 ZINC000810110785 593384201 /nfs/dbraw/zinc/38/42/01/593384201.db2.gz QAFSOOZHAFRULX-UHFFFAOYSA-N 1 2 329.444 1.687 20 30 EDEDLO C[C@H]1C[C@@H]1CN=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000758369493 593402135 /nfs/dbraw/zinc/40/21/35/593402135.db2.gz HBARPNQQNMLMOA-UONOGXRCSA-N 1 2 336.461 1.676 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(-c3cccnc3)s2)CC1 ZINC000761618326 593419069 /nfs/dbraw/zinc/41/90/69/593419069.db2.gz DCPIBJRJUBMJPS-UHFFFAOYSA-N 1 2 326.425 1.986 20 30 EDEDLO C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000806297849 593437239 /nfs/dbraw/zinc/43/72/39/593437239.db2.gz APCGVOUUUZTFBH-LJQANCHMSA-N 1 2 335.407 1.694 20 30 EDEDLO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000806297849 593437241 /nfs/dbraw/zinc/43/72/41/593437241.db2.gz APCGVOUUUZTFBH-LJQANCHMSA-N 1 2 335.407 1.694 20 30 EDEDLO CN(C)c1[nH+]cc(C=NN2C(=S)N=NC2[C@@H]2CCCCO2)n1C ZINC000811642785 593475487 /nfs/dbraw/zinc/47/54/87/593475487.db2.gz GMMRXLNBGBPNMH-NSHDSACASA-N 1 2 335.437 1.490 20 30 EDEDLO N#CCCCC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000812613848 593505376 /nfs/dbraw/zinc/50/53/76/593505376.db2.gz ATHKCBGNKRAHMY-UHFFFAOYSA-N 1 2 335.429 1.629 20 30 EDEDLO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000817283100 593588509 /nfs/dbraw/zinc/58/85/09/593588509.db2.gz XIEDKQFERSVCIC-RDJZCZTQSA-N 1 2 342.443 1.841 20 30 EDEDLO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000817283100 593588511 /nfs/dbraw/zinc/58/85/11/593588511.db2.gz XIEDKQFERSVCIC-RDJZCZTQSA-N 1 2 342.443 1.841 20 30 EDEDLO CCNc1nc(N=NCc2c(Cl)[nH+]c(N)n2C)nc(NCC)n1 ZINC000814725785 593601268 /nfs/dbraw/zinc/60/12/68/593601268.db2.gz PPEGGYMKYXEZHM-UHFFFAOYSA-N 1 2 338.807 1.150 20 30 EDEDLO CC(=[NH+]Nc1ccccc1S(N)(=O)=O)c1cc([N+](=O)[O-])ccc1N ZINC000814916331 593606734 /nfs/dbraw/zinc/60/67/34/593606734.db2.gz FRVOHVWAZZWPRR-UHFFFAOYSA-N 1 2 349.372 1.661 20 30 EDEDLO C[C@H]1C[N@H+](CCOC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000815477193 593637781 /nfs/dbraw/zinc/63/77/81/593637781.db2.gz ZKENQGGWEBPSPA-JTQLQIEISA-N 1 2 343.305 1.850 20 30 EDEDLO C[C@H]1C[N@@H+](CCOC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000815477193 593637783 /nfs/dbraw/zinc/63/77/83/593637783.db2.gz ZKENQGGWEBPSPA-JTQLQIEISA-N 1 2 343.305 1.850 20 30 EDEDLO C#C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(F)cc1 ZINC000819997531 593782139 /nfs/dbraw/zinc/78/21/39/593782139.db2.gz LJAUCZYGDIDSOZ-SQNIBIBYSA-N 1 2 346.402 1.496 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCCN(S(C)(=O)=O)CC1 ZINC000820617100 593845954 /nfs/dbraw/zinc/84/59/54/593845954.db2.gz OWUZNMPZQSONGH-UHFFFAOYSA-N 1 2 337.445 1.346 20 30 EDEDLO C#CC[NH+](CC#C)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000823845408 593871191 /nfs/dbraw/zinc/87/11/91/593871191.db2.gz QZIDUWDQPQOTGU-UHFFFAOYSA-N 1 2 331.383 1.429 20 30 EDEDLO C=CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000820765459 593885360 /nfs/dbraw/zinc/88/53/60/593885360.db2.gz MZEXPVZMHFCLFG-ZDUSSCGKSA-N 1 2 326.441 1.413 20 30 EDEDLO C=CCCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000820765459 593885361 /nfs/dbraw/zinc/88/53/61/593885361.db2.gz MZEXPVZMHFCLFG-ZDUSSCGKSA-N 1 2 326.441 1.413 20 30 EDEDLO C#CCN(CC(=O)NCc1ccc[nH+]c1N(C)C)C(=O)OC(C)(C)C ZINC000821959389 593973367 /nfs/dbraw/zinc/97/33/67/593973367.db2.gz ZSRKSIMCWOKOSK-UHFFFAOYSA-N 1 2 346.431 1.634 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCOCC1 ZINC000823177603 594165203 /nfs/dbraw/zinc/16/52/03/594165203.db2.gz HNEWKTDKFJZNDG-XIRDDKMYSA-N 1 2 330.432 1.904 20 30 EDEDLO Cc1cccn2c(C=NNCc3ccc(-c4nn[nH]n4)cc3)c[nH+]c12 ZINC000826308321 594417110 /nfs/dbraw/zinc/41/71/10/594417110.db2.gz ULWIXAYEZAPDLR-UHFFFAOYSA-N 1 2 332.371 1.947 20 30 EDEDLO Cc1cc[nH+]c(N2CCN(c3ncccc3C#N)CC2)c1-c1nn[nH]n1 ZINC000826311231 594418841 /nfs/dbraw/zinc/41/88/41/594418841.db2.gz XUTJBBYMDNVWQV-UHFFFAOYSA-N 1 2 347.386 1.163 20 30 EDEDLO Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000828984740 594543024 /nfs/dbraw/zinc/54/30/24/594543024.db2.gz HMFMTYWATLRPAW-PBHICJAKSA-N 1 2 347.390 1.824 20 30 EDEDLO Cc1ccc(C#N)cc1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000826817740 594581995 /nfs/dbraw/zinc/58/19/95/594581995.db2.gz HNHLCTURJTXTHY-DLBZAZTESA-N 1 2 348.406 1.857 20 30 EDEDLO C[N@@H+]1CCn2nc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2C1 ZINC000829418030 594610371 /nfs/dbraw/zinc/61/03/71/594610371.db2.gz SWHVJKAJVYTKJQ-OAHLLOKOSA-N 1 2 334.383 1.521 20 30 EDEDLO C[N@H+]1CCn2nc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2C1 ZINC000829418030 594610372 /nfs/dbraw/zinc/61/03/72/594610372.db2.gz SWHVJKAJVYTKJQ-OAHLLOKOSA-N 1 2 334.383 1.521 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1C#N ZINC000827344511 594663220 /nfs/dbraw/zinc/66/32/20/594663220.db2.gz DTGGXQLEZKSVRD-GWCFXTLKSA-N 1 2 332.429 1.547 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1C#N ZINC000827344511 594663221 /nfs/dbraw/zinc/66/32/21/594663221.db2.gz DTGGXQLEZKSVRD-GWCFXTLKSA-N 1 2 332.429 1.547 20 30 EDEDLO C[NH+]1CCN(C2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)CC1 ZINC000827462672 594674482 /nfs/dbraw/zinc/67/44/82/594674482.db2.gz RLLYSLWEVYIDCL-UHFFFAOYSA-N 1 2 341.459 1.209 20 30 EDEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2F)C[C@@H]1C ZINC000831651823 594690056 /nfs/dbraw/zinc/69/00/56/594690056.db2.gz NDLSRLHWFZMXAO-LBPRGKRZSA-N 1 2 333.363 1.407 20 30 EDEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(C#N)ccc2F)C[C@@H]1C ZINC000831651823 594690057 /nfs/dbraw/zinc/69/00/57/594690057.db2.gz NDLSRLHWFZMXAO-LBPRGKRZSA-N 1 2 333.363 1.407 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000831687415 594692558 /nfs/dbraw/zinc/69/25/58/594692558.db2.gz PYNLMMCFLPKNCJ-ZNMIVQPWSA-N 1 2 335.448 1.658 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000833305301 594823873 /nfs/dbraw/zinc/82/38/73/594823873.db2.gz MIVZIEKWLLJNLL-AWEZNQCLSA-N 1 2 346.412 1.222 20 30 EDEDLO C#CCCCS(=O)(=O)Nc1cc(C)nn1-c1cc(C)[nH+]c(C)n1 ZINC000840949081 594831893 /nfs/dbraw/zinc/83/18/93/594831893.db2.gz PYPWGCYJPHSTRG-UHFFFAOYSA-N 1 2 333.417 1.743 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(OC)c2)CC1 ZINC000841478695 594906642 /nfs/dbraw/zinc/90/66/42/594906642.db2.gz CWSYTYNHVLFMFW-UHFFFAOYSA-N 1 2 342.848 1.678 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000836604141 594978854 /nfs/dbraw/zinc/97/88/54/594978854.db2.gz DGAJRKKUMRSETL-OLZOCXBDSA-N 1 2 338.477 1.539 20 30 EDEDLO C#CC[C@H](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)C(=O)OC ZINC000837934901 595231175 /nfs/dbraw/zinc/23/11/75/595231175.db2.gz VBPSEMDOURSISS-AWEZNQCLSA-N 1 2 345.424 1.557 20 30 EDEDLO C#CC[C@H](NC(=O)C[N@@H+](CC)Cc1ccccc1Cl)C(=O)OC ZINC000837947711 595235840 /nfs/dbraw/zinc/23/58/40/595235840.db2.gz QSCLXOVXDXQBEH-HNNXBMFYSA-N 1 2 336.819 1.843 20 30 EDEDLO C#CC[C@H](NC(=O)C[N@H+](CC)Cc1ccccc1Cl)C(=O)OC ZINC000837947711 595235843 /nfs/dbraw/zinc/23/58/43/595235843.db2.gz QSCLXOVXDXQBEH-HNNXBMFYSA-N 1 2 336.819 1.843 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(-n3nnnc3C)ccc2F)C1 ZINC000847022007 595351814 /nfs/dbraw/zinc/35/18/14/595351814.db2.gz REUPXRVMSXEKIY-CYBMUJFWSA-N 1 2 342.378 1.394 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(-n3nnnc3C)ccc2F)C1 ZINC000847022007 595351816 /nfs/dbraw/zinc/35/18/16/595351816.db2.gz REUPXRVMSXEKIY-CYBMUJFWSA-N 1 2 342.378 1.394 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)C1 ZINC000847029521 595353341 /nfs/dbraw/zinc/35/33/41/595353341.db2.gz KMNYPRLAZJTJSM-NSHDSACASA-N 1 2 345.424 1.925 20 30 EDEDLO C#C[C@H]1CCC[N@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)C1 ZINC000847029521 595353344 /nfs/dbraw/zinc/35/33/44/595353344.db2.gz KMNYPRLAZJTJSM-NSHDSACASA-N 1 2 345.424 1.925 20 30 EDEDLO C=C(C)CONC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000844640078 595365948 /nfs/dbraw/zinc/36/59/48/595365948.db2.gz ZHPHGKMWKGCGNX-UHFFFAOYSA-N 1 2 346.431 1.980 20 30 EDEDLO COc1cccc([C@@H](C#N)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1OC ZINC000847444771 595421010 /nfs/dbraw/zinc/42/10/10/595421010.db2.gz KWPNFWVGIPMUHE-BXUZGUMPSA-N 1 2 328.372 1.987 20 30 EDEDLO COc1cccc([C@@H](C#N)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1OC ZINC000847444771 595421011 /nfs/dbraw/zinc/42/10/11/595421011.db2.gz KWPNFWVGIPMUHE-BXUZGUMPSA-N 1 2 328.372 1.987 20 30 EDEDLO COC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000852770007 595535688 /nfs/dbraw/zinc/53/56/88/595535688.db2.gz ALCRDMGXWDDTAQ-GFCCVEGCSA-N 1 2 330.388 1.706 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000857988315 595679325 /nfs/dbraw/zinc/67/93/25/595679325.db2.gz IIZAWYUQHGGCEJ-CQSZACIVSA-N 1 2 346.412 1.222 20 30 EDEDLO C=CCC[C@H](C)OC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000860423345 595680891 /nfs/dbraw/zinc/68/08/91/595680891.db2.gz MSDYRRHEDNCYDD-QEJZJMRPSA-N 1 2 335.404 1.606 20 30 EDEDLO C=CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@H](C)COC ZINC000853270153 595723804 /nfs/dbraw/zinc/72/38/04/595723804.db2.gz LGDDDYOJDDUVIO-CQSZACIVSA-N 1 2 329.404 2.000 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC[C@@H]1CS(=O)(=O)NC ZINC000853413241 595749329 /nfs/dbraw/zinc/74/93/29/595749329.db2.gz MWCPXSHHXOLRTI-CQSZACIVSA-N 1 2 337.445 1.392 20 30 EDEDLO Cc1nnc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)n1C ZINC000853436365 595751063 /nfs/dbraw/zinc/75/10/63/595751063.db2.gz VACCADWIXRYAOI-UHFFFAOYSA-N 1 2 335.803 1.195 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)C(C)C ZINC000858421778 595790817 /nfs/dbraw/zinc/79/08/17/595790817.db2.gz ITLUBVNBKIWQSV-SJORKVTESA-N 1 2 330.432 1.239 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)C(C)C ZINC000858421778 595790820 /nfs/dbraw/zinc/79/08/20/595790820.db2.gz ITLUBVNBKIWQSV-SJORKVTESA-N 1 2 330.432 1.239 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000850361154 595819321 /nfs/dbraw/zinc/81/93/21/595819321.db2.gz NIOHYZFPCLUTGM-ZFWWWQNUSA-N 1 2 343.832 1.254 20 30 EDEDLO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000853603352 595827080 /nfs/dbraw/zinc/82/70/80/595827080.db2.gz QLLYZOWPQBQCST-OAHLLOKOSA-N 1 2 342.443 1.403 20 30 EDEDLO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000853603352 595827081 /nfs/dbraw/zinc/82/70/81/595827081.db2.gz QLLYZOWPQBQCST-OAHLLOKOSA-N 1 2 342.443 1.403 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@@]2(C1=O)[C@H](C)CCC[C@@H]2C ZINC000853619450 595834225 /nfs/dbraw/zinc/83/42/25/595834225.db2.gz BPIYQPPWOQUXGW-HWWDLCQESA-N 1 2 335.448 1.662 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@@]2(C1=O)[C@H](C)CCC[C@@H]2C ZINC000853619450 595834230 /nfs/dbraw/zinc/83/42/30/595834230.db2.gz BPIYQPPWOQUXGW-HWWDLCQESA-N 1 2 335.448 1.662 20 30 EDEDLO C#CCOCC[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000851712770 595894004 /nfs/dbraw/zinc/89/40/04/595894004.db2.gz SVGLRPCFNZIKCR-UHFFFAOYSA-N 1 2 330.472 1.997 20 30 EDEDLO C#CCCOC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000858878464 595913189 /nfs/dbraw/zinc/91/31/89/595913189.db2.gz CECWDUZJHGYMPD-UHFFFAOYSA-N 1 2 332.400 1.981 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)CCn2cnc(Br)n2)n1 ZINC000851996100 596000456 /nfs/dbraw/zinc/00/04/56/596000456.db2.gz HUPSSAGVMOAYPQ-UHFFFAOYSA-N 1 2 337.225 1.392 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)CCn2cnc(Br)n2)n1 ZINC000851996100 596000460 /nfs/dbraw/zinc/00/04/60/596000460.db2.gz HUPSSAGVMOAYPQ-UHFFFAOYSA-N 1 2 337.225 1.392 20 30 EDEDLO CCc1noc(C[C@@]2(O)CCCN(c3cc(C)[nH+]cc3C#N)C2)n1 ZINC000856567573 596018833 /nfs/dbraw/zinc/01/88/33/596018833.db2.gz OZTIFRNRTVKTOM-KRWDZBQOSA-N 1 2 327.388 1.781 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CCC[C@](O)(Cc3nc(CC)no3)C2)nn1 ZINC000856596805 596029062 /nfs/dbraw/zinc/02/90/62/596029062.db2.gz MEKGTUNQOFBYTJ-KRWDZBQOSA-N 1 2 346.435 1.369 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@](O)(Cc3nc(CC)no3)C2)nn1 ZINC000856596805 596029065 /nfs/dbraw/zinc/02/90/65/596029065.db2.gz MEKGTUNQOFBYTJ-KRWDZBQOSA-N 1 2 346.435 1.369 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856608660 596033545 /nfs/dbraw/zinc/03/35/45/596033545.db2.gz QHOAYZPZAYTEMC-CWRNSKLLSA-N 1 2 331.416 1.345 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852314882 596122559 /nfs/dbraw/zinc/12/25/59/596122559.db2.gz VQZKTYGSUUWSAP-HOCLYGCPSA-N 1 2 325.372 1.386 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852314882 596122561 /nfs/dbraw/zinc/12/25/61/596122561.db2.gz VQZKTYGSUUWSAP-HOCLYGCPSA-N 1 2 325.372 1.386 20 30 EDEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)CC2 ZINC000862121313 596244314 /nfs/dbraw/zinc/24/43/14/596244314.db2.gz TXRTWMBKBBHURJ-SJORKVTESA-N 1 2 338.411 1.818 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000866598864 596265110 /nfs/dbraw/zinc/26/51/10/596265110.db2.gz TVHZYALMULSTJJ-GFCCVEGCSA-N 1 2 339.288 1.541 20 30 EDEDLO C#CC[C@H]1CCN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000862571201 596348050 /nfs/dbraw/zinc/34/80/50/596348050.db2.gz QDAQTFYLIILKJG-HNNXBMFYSA-N 1 2 348.468 1.507 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000865091340 596471278 /nfs/dbraw/zinc/47/12/78/596471278.db2.gz WHESLZQJINDMIL-HUUCEWRRSA-N 1 2 342.434 1.656 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000865091340 596471280 /nfs/dbraw/zinc/47/12/80/596471280.db2.gz WHESLZQJINDMIL-HUUCEWRRSA-N 1 2 342.434 1.656 20 30 EDEDLO O=S1(=O)CCC[C@@H](NN=C2CCCC[C@@H]2[NH+]2CCCCC2)C1 ZINC000863130003 596505280 /nfs/dbraw/zinc/50/52/80/596505280.db2.gz JTNKCPJZUFSBDO-ZBFHGGJFSA-N 1 2 327.494 1.938 20 30 EDEDLO COc1cccc(C[NH+]2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)c1 ZINC000867705702 596505574 /nfs/dbraw/zinc/50/55/74/596505574.db2.gz PCYQKUBXUIQFDJ-UHFFFAOYSA-N 1 2 349.456 1.446 20 30 EDEDLO N#CCc1ccc(CS(=O)(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000867714080 596511918 /nfs/dbraw/zinc/51/19/18/596511918.db2.gz WNKHFLJXPIWTEM-MRXNPFEDSA-N 1 2 339.436 1.606 20 30 EDEDLO N#CCc1ccc(CS(=O)(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1 ZINC000867714080 596511920 /nfs/dbraw/zinc/51/19/20/596511920.db2.gz WNKHFLJXPIWTEM-MRXNPFEDSA-N 1 2 339.436 1.606 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3c(F)cccc3F)ccc2=O)CC1 ZINC000863254697 596528533 /nfs/dbraw/zinc/52/85/33/596528533.db2.gz LNGCQMYATNGVQF-UHFFFAOYSA-N 1 2 344.365 1.397 20 30 EDEDLO C#CCCS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000867792285 596551684 /nfs/dbraw/zinc/55/16/84/596551684.db2.gz PGSGIEJHSMUEGJ-QGZVFWFLSA-N 1 2 336.457 1.139 20 30 EDEDLO C#CCCS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000867792285 596551686 /nfs/dbraw/zinc/55/16/86/596551686.db2.gz PGSGIEJHSMUEGJ-QGZVFWFLSA-N 1 2 336.457 1.139 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000867792281 596551730 /nfs/dbraw/zinc/55/17/30/596551730.db2.gz PFKRSPJHVPKWMF-QGZVFWFLSA-N 1 2 338.473 1.691 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000867792281 596551731 /nfs/dbraw/zinc/55/17/31/596551731.db2.gz PFKRSPJHVPKWMF-QGZVFWFLSA-N 1 2 338.473 1.691 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CCN1C1CC1 ZINC000865737623 596664726 /nfs/dbraw/zinc/66/47/26/596664726.db2.gz AJNISIBUUMMLIH-GXTWGEPZSA-N 1 2 326.391 1.162 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CCN1C1CC1 ZINC000865737623 596664730 /nfs/dbraw/zinc/66/47/30/596664730.db2.gz AJNISIBUUMMLIH-GXTWGEPZSA-N 1 2 326.391 1.162 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000871764900 596688711 /nfs/dbraw/zinc/68/87/11/596688711.db2.gz QPKHCPQQDAOZSH-JCNLHEQBSA-N 1 2 342.443 1.909 20 30 EDEDLO C#CC[C@H](COC)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000863799778 596690265 /nfs/dbraw/zinc/69/02/65/596690265.db2.gz QOKDJANNOIREOZ-DOTOQJQBSA-N 1 2 347.434 1.491 20 30 EDEDLO C=C(Cl)C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C(=O)OCC ZINC000870036124 596719289 /nfs/dbraw/zinc/71/92/89/596719289.db2.gz YQBKWFDKGRYPKQ-MFKMUULPSA-N 1 2 325.796 1.705 20 30 EDEDLO C=C(Cl)C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C(=O)OCC ZINC000870036124 596719292 /nfs/dbraw/zinc/71/92/92/596719292.db2.gz YQBKWFDKGRYPKQ-MFKMUULPSA-N 1 2 325.796 1.705 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(C#N)c1 ZINC000872476345 596927346 /nfs/dbraw/zinc/92/73/46/596927346.db2.gz XTBSKBSZOIFOLK-UHFFFAOYSA-N 1 2 337.445 1.256 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)c(C#N)c1 ZINC000872476345 596927347 /nfs/dbraw/zinc/92/73/47/596927347.db2.gz XTBSKBSZOIFOLK-UHFFFAOYSA-N 1 2 337.445 1.256 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@@H](Cc3ccccc3)CC2=O)C1=O ZINC000872604494 596985773 /nfs/dbraw/zinc/98/57/73/596985773.db2.gz VLNWUJUPCOUQCI-ZWKOTPCHSA-N 1 2 341.455 1.754 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@@H](Cc3ccccc3)CC2=O)C1=O ZINC000872604494 596985774 /nfs/dbraw/zinc/98/57/74/596985774.db2.gz VLNWUJUPCOUQCI-ZWKOTPCHSA-N 1 2 341.455 1.754 20 30 EDEDLO CC(C)[C@]1(C)NC(=O)N(C[N@H+](C)CCc2cccc(C#N)c2)C1=O ZINC000872706191 597038957 /nfs/dbraw/zinc/03/89/57/597038957.db2.gz XHWOFYJLGATGDC-SFHVURJKSA-N 1 2 328.416 1.957 20 30 EDEDLO CC(C)[C@]1(C)NC(=O)N(C[N@@H+](C)CCc2cccc(C#N)c2)C1=O ZINC000872706191 597038962 /nfs/dbraw/zinc/03/89/62/597038962.db2.gz XHWOFYJLGATGDC-SFHVURJKSA-N 1 2 328.416 1.957 20 30 EDEDLO C=CC(C)(C)CCCNC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000872925298 597126057 /nfs/dbraw/zinc/12/60/57/597126057.db2.gz PPAVZVZRNIFLCU-AWEZNQCLSA-N 1 2 332.448 1.845 20 30 EDEDLO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000876873794 597364528 /nfs/dbraw/zinc/36/45/28/597364528.db2.gz QJLBADQXPOHJPZ-MRVPVSSYSA-N 1 2 326.809 1.825 20 30 EDEDLO CC#CCCNC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000875505578 597456462 /nfs/dbraw/zinc/45/64/62/597456462.db2.gz RLLBZKVTUXGVDQ-SFHVURJKSA-N 1 2 329.444 1.908 20 30 EDEDLO CC#CCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000875505578 597456464 /nfs/dbraw/zinc/45/64/64/597456464.db2.gz RLLBZKVTUXGVDQ-SFHVURJKSA-N 1 2 329.444 1.908 20 30 EDEDLO C#CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2)C(=O)OC ZINC000877583757 597538804 /nfs/dbraw/zinc/53/88/04/597538804.db2.gz UEAAOKNSZXHKBR-MELADBBJSA-N 1 2 336.432 1.977 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)cc1 ZINC000877744974 597552285 /nfs/dbraw/zinc/55/22/85/597552285.db2.gz CTDHJQYZVXNETC-UHFFFAOYSA-N 1 2 333.457 1.505 20 30 EDEDLO CCN1CCC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1=O ZINC000878496271 597613998 /nfs/dbraw/zinc/61/39/98/597613998.db2.gz VNABLSNQGAUJFV-LJQANCHMSA-N 1 2 327.428 1.981 20 30 EDEDLO CCN1CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1=O ZINC000878496271 597614000 /nfs/dbraw/zinc/61/40/00/597614000.db2.gz VNABLSNQGAUJFV-LJQANCHMSA-N 1 2 327.428 1.981 20 30 EDEDLO C#CC[N@@H+](C[C@H](O)COc1ccc(C(C)=O)cc1OC)C1CSC1 ZINC000878913489 597753971 /nfs/dbraw/zinc/75/39/71/597753971.db2.gz RKFSHPSTCJAESC-INIZCTEOSA-N 1 2 349.452 1.688 20 30 EDEDLO C#CC[N@H+](C[C@H](O)COc1ccc(C(C)=O)cc1OC)C1CSC1 ZINC000878913489 597753973 /nfs/dbraw/zinc/75/39/73/597753973.db2.gz RKFSHPSTCJAESC-INIZCTEOSA-N 1 2 349.452 1.688 20 30 EDEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccccc2C(=O)OCC)CC1 ZINC000880480402 597942091 /nfs/dbraw/zinc/94/20/91/597942091.db2.gz RMZGZDPXYPOGIM-UHFFFAOYSA-N 1 2 344.411 1.652 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000884073824 597986285 /nfs/dbraw/zinc/98/62/85/597986285.db2.gz VVLVBYKLWLTBIY-HOTGVXAUSA-N 1 2 348.399 1.630 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000884123259 598001167 /nfs/dbraw/zinc/00/11/67/598001167.db2.gz NBLJZQOTADTCDF-KBPBESRZSA-N 1 2 346.383 1.525 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1SCCc2ccccc21 ZINC000884159191 598010702 /nfs/dbraw/zinc/01/07/02/598010702.db2.gz UZHLWDNPRWWXGO-GJZGRUSLSA-N 1 2 334.441 1.580 20 30 EDEDLO C=CCn1cc(C(=O)NC2C[NH+](CCCc3ccsc3)C2)nn1 ZINC001031069872 695460267 /nfs/dbraw/zinc/46/02/67/695460267.db2.gz CWXDMFQWZLEWKQ-UHFFFAOYSA-N 1 2 331.445 1.572 20 30 EDEDLO Cc1nc(N[C@@H]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]23)cc[nH+]1 ZINC001060516738 695690369 /nfs/dbraw/zinc/69/03/69/695690369.db2.gz CLHXIORFIQVDQN-DAXOMENPSA-N 1 2 336.399 1.948 20 30 EDEDLO CCn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000993168285 695717067 /nfs/dbraw/zinc/71/70/67/695717067.db2.gz HUHPQUDIQVFTJD-SWLSCSKDSA-N 1 2 341.419 1.281 20 30 EDEDLO CCn1nncc1C[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000993168285 695717069 /nfs/dbraw/zinc/71/70/69/695717069.db2.gz HUHPQUDIQVFTJD-SWLSCSKDSA-N 1 2 341.419 1.281 20 30 EDEDLO CCn1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1 ZINC000993205920 695796341 /nfs/dbraw/zinc/79/63/41/695796341.db2.gz SQRMHHHEMIBQFK-CXAGYDPISA-N 1 2 340.431 1.886 20 30 EDEDLO CCn1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1 ZINC000993205920 695796343 /nfs/dbraw/zinc/79/63/43/695796343.db2.gz SQRMHHHEMIBQFK-CXAGYDPISA-N 1 2 340.431 1.886 20 30 EDEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@@H]1C ZINC000993330856 695984765 /nfs/dbraw/zinc/98/47/65/695984765.db2.gz FVCLBMYCURRQSX-JSGCOSHPSA-N 1 2 338.429 1.289 20 30 EDEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@@H]1C ZINC000993330856 695984766 /nfs/dbraw/zinc/98/47/66/695984766.db2.gz FVCLBMYCURRQSX-JSGCOSHPSA-N 1 2 338.429 1.289 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@@H]1C ZINC000993335160 695991321 /nfs/dbraw/zinc/99/13/21/695991321.db2.gz VIVNCYREDLUHLQ-LSDHHAIUSA-N 1 2 337.851 1.878 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cccc(C)c2=O)[C@@H]1C ZINC000993335160 695991324 /nfs/dbraw/zinc/99/13/24/695991324.db2.gz VIVNCYREDLUHLQ-LSDHHAIUSA-N 1 2 337.851 1.878 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993995404 696486144 /nfs/dbraw/zinc/48/61/44/696486144.db2.gz PVBCMMGNMHEGJO-CJNGLKHVSA-N 1 2 338.415 1.470 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993995404 696486145 /nfs/dbraw/zinc/48/61/45/696486145.db2.gz PVBCMMGNMHEGJO-CJNGLKHVSA-N 1 2 338.415 1.470 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000994199089 696576030 /nfs/dbraw/zinc/57/60/30/696576030.db2.gz SNALCPWBCJMPLL-ZDUSSCGKSA-N 1 2 341.415 1.217 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000994199089 696576032 /nfs/dbraw/zinc/57/60/32/696576032.db2.gz SNALCPWBCJMPLL-ZDUSSCGKSA-N 1 2 341.415 1.217 20 30 EDEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001060727297 697237572 /nfs/dbraw/zinc/23/75/72/697237572.db2.gz ZDCQXHAIYGRSKB-WKILWMFISA-N 1 2 344.459 1.793 20 30 EDEDLO Cn1ccc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001031608467 697314014 /nfs/dbraw/zinc/31/40/14/697314014.db2.gz JYZHZIRMEYITJN-UHFFFAOYSA-N 1 2 325.387 1.878 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC000919875500 697357166 /nfs/dbraw/zinc/35/71/66/697357166.db2.gz VUEKHBOSSBOYAS-ZWKOTPCHSA-N 1 2 332.469 1.561 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC000919875500 697357167 /nfs/dbraw/zinc/35/71/67/697357167.db2.gz VUEKHBOSSBOYAS-ZWKOTPCHSA-N 1 2 332.469 1.561 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@H]2CCc3ccccc3C2)C1 ZINC000919875498 697357283 /nfs/dbraw/zinc/35/72/83/697357283.db2.gz VUEKHBOSSBOYAS-ROUUACIJSA-N 1 2 332.469 1.561 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@H]2CCc3ccccc3C2)C1 ZINC000919875498 697357284 /nfs/dbraw/zinc/35/72/84/697357284.db2.gz VUEKHBOSSBOYAS-ROUUACIJSA-N 1 2 332.469 1.561 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccn[nH]2)cc1C#N ZINC001038069929 697669095 /nfs/dbraw/zinc/66/90/95/697669095.db2.gz AXHWIXVTWOBVBO-CQSZACIVSA-N 1 2 325.372 1.294 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccn[nH]2)cc1C#N ZINC001038069929 697669097 /nfs/dbraw/zinc/66/90/97/697669097.db2.gz AXHWIXVTWOBVBO-CQSZACIVSA-N 1 2 325.372 1.294 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccnc2ccnn21 ZINC001031726874 697939445 /nfs/dbraw/zinc/93/94/45/697939445.db2.gz QCZHNYBAQJELIG-UHFFFAOYSA-N 1 2 345.406 1.443 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938529208 698225015 /nfs/dbraw/zinc/22/50/15/698225015.db2.gz AKSANOMQIANQNF-ZQIUZPCESA-N 1 2 346.431 1.041 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000994844444 698239349 /nfs/dbraw/zinc/23/93/49/698239349.db2.gz IDAJEFYNNUZNJI-UHFFFAOYSA-N 1 2 331.416 1.562 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)C1 ZINC000945410762 700224323 /nfs/dbraw/zinc/22/43/23/700224323.db2.gz DJZKWSAKHHSRJC-GOEBONIOSA-N 1 2 344.459 1.672 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000938716082 698545060 /nfs/dbraw/zinc/54/50/60/698545060.db2.gz JMZJCAAPNNTNRL-UONOGXRCSA-N 1 2 342.443 1.903 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3c(F)cccc3F)CC2)C1 ZINC000941487496 701555944 /nfs/dbraw/zinc/55/59/44/701555944.db2.gz LSVQDXSTWSNJJU-CQSZACIVSA-N 1 2 347.409 1.530 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3n[nH]cc3F)C2)ccc1F ZINC001031954526 701557349 /nfs/dbraw/zinc/55/73/49/701557349.db2.gz DEIJQJRBQKPCDQ-UHFFFAOYSA-N 1 2 331.326 1.421 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC001031774437 699146131 /nfs/dbraw/zinc/14/61/31/699146131.db2.gz DDZSXURDCBUMQE-UHFFFAOYSA-N 1 2 348.406 1.519 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)CC2)C1 ZINC000941536704 701574464 /nfs/dbraw/zinc/57/44/64/701574464.db2.gz CIKXWUBSSWZDJO-UONOGXRCSA-N 1 2 343.393 1.427 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(c4cccc(F)c4)CC3)CC2)C1 ZINC000941593899 701586842 /nfs/dbraw/zinc/58/68/42/701586842.db2.gz XBOWLYDIRJAATJ-UHFFFAOYSA-N 1 2 341.430 1.319 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(CC)c(C)s3)CC2)C1 ZINC000941660660 701608102 /nfs/dbraw/zinc/60/81/02/701608102.db2.gz SRDCOTWYIHZSHX-UHFFFAOYSA-N 1 2 331.485 1.694 20 30 EDEDLO Cn1nc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)cc1Cl ZINC001031833130 699750835 /nfs/dbraw/zinc/75/08/35/699750835.db2.gz CFHKGYHJVTVSCV-UHFFFAOYSA-N 1 2 343.818 1.807 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1 ZINC000941649461 701611260 /nfs/dbraw/zinc/61/12/60/701611260.db2.gz WQIQNDGFMYAASB-UHFFFAOYSA-N 1 2 336.439 1.172 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000941672381 701613801 /nfs/dbraw/zinc/61/38/01/701613801.db2.gz GUNLNSVQYZMKAR-UHFFFAOYSA-N 1 2 332.448 1.960 20 30 EDEDLO CCOc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)on1 ZINC001031851187 699955624 /nfs/dbraw/zinc/95/56/24/699955624.db2.gz KUKHIYVVYHVVSN-UHFFFAOYSA-N 1 2 346.412 1.868 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000945437352 700288549 /nfs/dbraw/zinc/28/85/49/700288549.db2.gz CSKMMKCBWGMYNH-OCCSQVGLSA-N 1 2 332.448 1.826 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)C[C@@H]3CCCO3)CC2)C1 ZINC000941681959 701626490 /nfs/dbraw/zinc/62/64/90/701626490.db2.gz ZXGOYXGCWVCZFQ-WMZOPIPTSA-N 1 2 333.476 1.043 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000945439728 700291865 /nfs/dbraw/zinc/29/18/65/700291865.db2.gz SGTLIANWWFSHDP-UONOGXRCSA-N 1 2 332.448 1.908 20 30 EDEDLO Cn1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c(Cl)n1 ZINC001032120147 701629004 /nfs/dbraw/zinc/62/90/04/701629004.db2.gz OBRNMEYAAUMSIO-UHFFFAOYSA-N 1 2 342.830 1.787 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cnc3c(c2)c(C)nn3C)C1 ZINC001031886510 700626495 /nfs/dbraw/zinc/62/64/95/700626495.db2.gz OAQSXYUSPXCHBB-UHFFFAOYSA-N 1 2 333.823 1.691 20 30 EDEDLO Cc1noc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)n1 ZINC000940658749 700820409 /nfs/dbraw/zinc/82/04/09/700820409.db2.gz RMRVQMDPIGEJLX-AWEZNQCLSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1noc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)n1 ZINC000940658749 700820412 /nfs/dbraw/zinc/82/04/12/700820412.db2.gz RMRVQMDPIGEJLX-AWEZNQCLSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940687249 700830024 /nfs/dbraw/zinc/83/00/24/700830024.db2.gz SDZKIQGCXSZBPO-HNNXBMFYSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1nonc1C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940687249 700830026 /nfs/dbraw/zinc/83/00/26/700830026.db2.gz SDZKIQGCXSZBPO-HNNXBMFYSA-N 1 2 342.403 1.608 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)CC2(C)C)C1 ZINC000941018582 701058213 /nfs/dbraw/zinc/05/82/13/701058213.db2.gz YHZRPUYPKCAQCE-OAHLLOKOSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)CC2(C)C)C1 ZINC000941018582 701058215 /nfs/dbraw/zinc/05/82/15/701058215.db2.gz YHZRPUYPKCAQCE-OAHLLOKOSA-N 1 2 331.464 1.888 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(N3CCN(C(=O)CC4CC4)CC3)C2)cc1 ZINC000941277125 701448973 /nfs/dbraw/zinc/44/89/73/701448973.db2.gz ZVJIEJXDYXYTHO-UHFFFAOYSA-N 1 2 338.455 1.687 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCN(C2C[NH+](C[C@H](F)CC)C2)CC1 ZINC000941438076 701540873 /nfs/dbraw/zinc/54/08/73/701540873.db2.gz IXWQNKJQUJCANB-MRXNPFEDSA-N 1 2 348.466 1.864 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC000999183820 706611473 /nfs/dbraw/zinc/61/14/73/706611473.db2.gz XVTLHTOZRWCJSM-ZNMIVQPWSA-N 1 2 334.420 1.440 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000941795402 701774611 /nfs/dbraw/zinc/77/46/11/701774611.db2.gz UOPJSOQHZKJPJC-ZWNOBZJWSA-N 1 2 341.253 1.769 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000941795402 701774615 /nfs/dbraw/zinc/77/46/15/701774615.db2.gz UOPJSOQHZKJPJC-ZWNOBZJWSA-N 1 2 341.253 1.769 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)nc1 ZINC001032135362 701896025 /nfs/dbraw/zinc/89/60/25/701896025.db2.gz RBJSLEFGYDUZPD-UHFFFAOYSA-N 1 2 348.381 1.935 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cscn2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941941277 702172882 /nfs/dbraw/zinc/17/28/82/702172882.db2.gz BJSFTMBCASKUCR-XHDPSFHLSA-N 1 2 329.429 1.983 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cscn2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941941277 702172886 /nfs/dbraw/zinc/17/28/86/702172886.db2.gz BJSFTMBCASKUCR-XHDPSFHLSA-N 1 2 329.429 1.983 20 30 EDEDLO Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)n1 ZINC000941967057 702227830 /nfs/dbraw/zinc/22/78/30/702227830.db2.gz PPBRYWHBTABBIT-GXFFZTMASA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1noc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)n1 ZINC000941967057 702227831 /nfs/dbraw/zinc/22/78/31/702227831.db2.gz PPBRYWHBTABBIT-GXFFZTMASA-N 1 2 328.376 1.218 20 30 EDEDLO C=C1CCC(C(=O)NC[C@H]2CCCN2C(=O)Cn2cc[nH+]c2)CC1 ZINC000944110013 702241980 /nfs/dbraw/zinc/24/19/80/702241980.db2.gz XAZJHUUFWVGQKS-MRXNPFEDSA-N 1 2 330.432 1.737 20 30 EDEDLO Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](C)C1 ZINC000941964825 702255998 /nfs/dbraw/zinc/25/59/98/702255998.db2.gz UKESIJIZIGPZKL-HZMBPMFUSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nonc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](C)C1 ZINC000941964825 702256001 /nfs/dbraw/zinc/25/60/01/702256001.db2.gz UKESIJIZIGPZKL-HZMBPMFUSA-N 1 2 328.376 1.218 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nonc3C)C[C@@H]2C)nc1 ZINC000944192985 702486291 /nfs/dbraw/zinc/48/62/91/702486291.db2.gz PRIAZBDYWIBRJO-SWLSCSKDSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nonc3C)C[C@@H]2C)nc1 ZINC000944192985 702486295 /nfs/dbraw/zinc/48/62/95/702486295.db2.gz PRIAZBDYWIBRJO-SWLSCSKDSA-N 1 2 339.399 1.395 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CCC(=O)N2)s1 ZINC001032678933 706699663 /nfs/dbraw/zinc/69/96/63/706699663.db2.gz UROXJXQMLVOQQU-AGIUHOORSA-N 1 2 344.440 1.074 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CCC(=O)N2)s1 ZINC001032678933 706699664 /nfs/dbraw/zinc/69/96/64/706699664.db2.gz UROXJXQMLVOQQU-AGIUHOORSA-N 1 2 344.440 1.074 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCOC2)cc1C#N ZINC001032307552 702916823 /nfs/dbraw/zinc/91/68/23/702916823.db2.gz PUXFWUDEQXKJAB-PVAVHDDUSA-N 1 2 341.411 1.388 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCOC2)cc1C#N ZINC001032307552 702916824 /nfs/dbraw/zinc/91/68/24/702916824.db2.gz PUXFWUDEQXKJAB-PVAVHDDUSA-N 1 2 341.411 1.388 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@@H]2C)CC1 ZINC000942600879 703116911 /nfs/dbraw/zinc/11/69/11/703116911.db2.gz WJJUHXTVMKHXON-DZGCQCFKSA-N 1 2 347.463 1.181 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@@H]2C)CC1 ZINC000942600879 703116912 /nfs/dbraw/zinc/11/69/12/703116912.db2.gz WJJUHXTVMKHXON-DZGCQCFKSA-N 1 2 347.463 1.181 20 30 EDEDLO C=CCCn1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)nn1 ZINC001032041432 703174544 /nfs/dbraw/zinc/17/45/44/703174544.db2.gz NNCYJFMCAWZDOQ-UHFFFAOYSA-N 1 2 349.438 1.568 20 30 EDEDLO CCc1onc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001032361678 703221484 /nfs/dbraw/zinc/22/14/84/703221484.db2.gz XNOUZASJKUFLEJ-KBPBESRZSA-N 1 2 339.399 1.844 20 30 EDEDLO CCc1onc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001032361678 703221486 /nfs/dbraw/zinc/22/14/86/703221486.db2.gz XNOUZASJKUFLEJ-KBPBESRZSA-N 1 2 339.399 1.844 20 30 EDEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c[nH]1 ZINC001032362793 703237785 /nfs/dbraw/zinc/23/77/85/703237785.db2.gz TVEGQVAMYSAQCS-ROUUACIJSA-N 1 2 331.379 1.857 20 30 EDEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c[nH]1 ZINC001032362793 703237787 /nfs/dbraw/zinc/23/77/87/703237787.db2.gz TVEGQVAMYSAQCS-ROUUACIJSA-N 1 2 331.379 1.857 20 30 EDEDLO N#CCSCC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795232 703379018 /nfs/dbraw/zinc/37/90/18/703379018.db2.gz IFJJVSUCFPFXIC-JOCQHMNTSA-N 1 2 349.460 1.000 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@H]2CCOC2)nc1C ZINC001032403192 703421606 /nfs/dbraw/zinc/42/16/06/703421606.db2.gz WABSNUHTIMFTEK-JYJNAYRXSA-N 1 2 328.416 1.075 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@H]2CCOC2)nc1C ZINC001032403192 703421607 /nfs/dbraw/zinc/42/16/07/703421607.db2.gz WABSNUHTIMFTEK-JYJNAYRXSA-N 1 2 328.416 1.075 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncn2cc(Cl)ccc12 ZINC001032412375 703461770 /nfs/dbraw/zinc/46/17/70/703461770.db2.gz VONFKTRNBGKWFJ-KBPBESRZSA-N 1 2 328.803 1.910 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ncn2cc(Cl)ccc12 ZINC001032412375 703461771 /nfs/dbraw/zinc/46/17/71/703461771.db2.gz VONFKTRNBGKWFJ-KBPBESRZSA-N 1 2 328.803 1.910 20 30 EDEDLO C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@@H](C)N1CC#N ZINC000921628945 703772869 /nfs/dbraw/zinc/77/28/69/703772869.db2.gz JJCOQOXGLKGOCC-OAGGEKHMSA-N 1 2 342.447 1.288 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000999293473 706790749 /nfs/dbraw/zinc/79/07/49/706790749.db2.gz UGWOLFXBGSQFDU-ZDUSSCGKSA-N 1 2 328.416 1.129 20 30 EDEDLO CCN1C[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CC1=O ZINC001004448404 704433538 /nfs/dbraw/zinc/43/35/38/704433538.db2.gz YHVPDDYKLSTXPQ-HZPDHXFCSA-N 1 2 332.448 1.081 20 30 EDEDLO CCN1C[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CC1=O ZINC001004448404 704433539 /nfs/dbraw/zinc/43/35/39/704433539.db2.gz YHVPDDYKLSTXPQ-HZPDHXFCSA-N 1 2 332.448 1.081 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C4CC4)o3)C2)[nH]1 ZINC000998961388 706381236 /nfs/dbraw/zinc/38/12/36/706381236.db2.gz MNHUDUDQNMUSJI-ZDUSSCGKSA-N 1 2 340.387 1.541 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccccc2C(N)=O)C1 ZINC001033324006 707527857 /nfs/dbraw/zinc/52/78/57/707527857.db2.gz LKSWQIJGJVILHM-CQSZACIVSA-N 1 2 335.835 1.613 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccccc2C(N)=O)C1 ZINC001033324006 707527861 /nfs/dbraw/zinc/52/78/61/707527861.db2.gz LKSWQIJGJVILHM-CQSZACIVSA-N 1 2 335.835 1.613 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(C)[nH]3)nn2)C1 ZINC000999973275 707586298 /nfs/dbraw/zinc/58/62/98/707586298.db2.gz YGIRNVXWEDTFJW-ZDUSSCGKSA-N 1 2 349.826 1.239 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cnc(C)[nH]3)nn2)C1 ZINC000999973275 707586300 /nfs/dbraw/zinc/58/63/00/707586300.db2.gz YGIRNVXWEDTFJW-ZDUSSCGKSA-N 1 2 349.826 1.239 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cnc(C)cn3)C2)c1 ZINC001033404968 707814102 /nfs/dbraw/zinc/81/41/02/707814102.db2.gz GZXOLMQLWYFNGS-SFHVURJKSA-N 1 2 335.411 1.508 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)c1 ZINC001033404968 707814107 /nfs/dbraw/zinc/81/41/07/707814107.db2.gz GZXOLMQLWYFNGS-SFHVURJKSA-N 1 2 335.411 1.508 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn3cc(C)cnc23)C1 ZINC001033469114 707929107 /nfs/dbraw/zinc/92/91/07/707929107.db2.gz CZCYEOTUKLXXTJ-CYBMUJFWSA-N 1 2 333.823 1.937 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3cc(C)cnc23)C1 ZINC001033469114 707929112 /nfs/dbraw/zinc/92/91/12/707929112.db2.gz CZCYEOTUKLXXTJ-CYBMUJFWSA-N 1 2 333.823 1.937 20 30 EDEDLO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033505918 707975118 /nfs/dbraw/zinc/97/51/18/707975118.db2.gz UYCDPJJTJLLJGQ-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033505918 707975119 /nfs/dbraw/zinc/97/51/19/707975119.db2.gz UYCDPJJTJLLJGQ-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3cnsn3)C2)cn1 ZINC001000731061 708061895 /nfs/dbraw/zinc/06/18/95/708061895.db2.gz YAMBABNYGVKDOS-AWEZNQCLSA-N 1 2 327.413 1.309 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OCC2CC2)nc1 ZINC001032801572 708083133 /nfs/dbraw/zinc/08/31/33/708083133.db2.gz DSGSAJMMSTWBBX-IRXDYDNUSA-N 1 2 325.412 1.792 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OCC2CC2)nc1 ZINC001032801572 708083134 /nfs/dbraw/zinc/08/31/34/708083134.db2.gz DSGSAJMMSTWBBX-IRXDYDNUSA-N 1 2 325.412 1.792 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CNc2nccnc2C#N)C1 ZINC001061004192 708149251 /nfs/dbraw/zinc/14/92/51/708149251.db2.gz HIHWPSSQMLLCST-QWHCGFSZSA-N 1 2 339.403 1.211 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CNc2nccnc2C#N)C1 ZINC001061004192 708149254 /nfs/dbraw/zinc/14/92/54/708149254.db2.gz HIHWPSSQMLLCST-QWHCGFSZSA-N 1 2 339.403 1.211 20 30 EDEDLO CN(C(=O)c1ncccn1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033521488 708160299 /nfs/dbraw/zinc/16/02/99/708160299.db2.gz AUYVBTWVQNCTOM-HNNXBMFYSA-N 1 2 339.374 1.834 20 30 EDEDLO CN(C(=O)c1ncccn1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033521488 708160301 /nfs/dbraw/zinc/16/03/01/708160301.db2.gz AUYVBTWVQNCTOM-HNNXBMFYSA-N 1 2 339.374 1.834 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)Cc2cc[nH]n2)CC1 ZINC001005204233 708197486 /nfs/dbraw/zinc/19/74/86/708197486.db2.gz LKDJXNNKZYSWKV-UHFFFAOYSA-N 1 2 341.253 1.784 20 30 EDEDLO CN(C(=O)Cc1nnc[nH]1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033563368 708238656 /nfs/dbraw/zinc/23/86/56/708238656.db2.gz VQZLEKPWXJSFKL-OAHLLOKOSA-N 1 2 342.378 1.091 20 30 EDEDLO CN(C(=O)Cc1nnc[nH]1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033563368 708238659 /nfs/dbraw/zinc/23/86/59/708238659.db2.gz VQZLEKPWXJSFKL-OAHLLOKOSA-N 1 2 342.378 1.091 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnnn3CC)C2)cn1 ZINC001033599940 708318763 /nfs/dbraw/zinc/31/87/63/708318763.db2.gz UTLBOFFWXOSYCG-INIZCTEOSA-N 1 2 338.415 1.021 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cnnn3CC)C2)cn1 ZINC001033599940 708318768 /nfs/dbraw/zinc/31/87/68/708318768.db2.gz UTLBOFFWXOSYCG-INIZCTEOSA-N 1 2 338.415 1.021 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC001033615314 708340635 /nfs/dbraw/zinc/34/06/35/708340635.db2.gz BMUPXKUURSHZPW-KGLIPLIRSA-N 1 2 327.856 1.721 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC001033615314 708340636 /nfs/dbraw/zinc/34/06/36/708340636.db2.gz BMUPXKUURSHZPW-KGLIPLIRSA-N 1 2 327.856 1.721 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@H]2C)C1 ZINC001005260506 708418126 /nfs/dbraw/zinc/41/81/26/708418126.db2.gz ZNVGXOMQRCRKBY-GDBMZVCRSA-N 1 2 344.459 1.672 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001033899853 709021316 /nfs/dbraw/zinc/02/13/16/709021316.db2.gz CODCRIQEJJJPQI-ZDUSSCGKSA-N 1 2 348.838 1.652 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001033899853 709021319 /nfs/dbraw/zinc/02/13/19/709021319.db2.gz CODCRIQEJJJPQI-ZDUSSCGKSA-N 1 2 348.838 1.652 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cc[nH]c(=O)c2)CC1 ZINC001002556753 709102673 /nfs/dbraw/zinc/10/26/73/709102673.db2.gz MFEGUZOTSDOSHV-UHFFFAOYSA-N 1 2 340.221 1.890 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001033954157 709135300 /nfs/dbraw/zinc/13/53/00/709135300.db2.gz KZXLTKCBDNIPSI-ZACQAIPSSA-N 1 2 346.475 1.917 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001033954157 709135301 /nfs/dbraw/zinc/13/53/01/709135301.db2.gz KZXLTKCBDNIPSI-ZACQAIPSSA-N 1 2 346.475 1.917 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033960029 709150328 /nfs/dbraw/zinc/15/03/28/709150328.db2.gz KCWFCBKOUPYKGI-BBWFWOEESA-N 1 2 333.432 1.997 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033960029 709150330 /nfs/dbraw/zinc/15/03/30/709150330.db2.gz KCWFCBKOUPYKGI-BBWFWOEESA-N 1 2 333.432 1.997 20 30 EDEDLO N#Cc1ccc(N[C@H]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC001061133346 709322461 /nfs/dbraw/zinc/32/24/61/709322461.db2.gz BQNLAKIVAOXRMB-RYUDHWBXSA-N 1 2 325.376 1.153 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC001034102499 709346241 /nfs/dbraw/zinc/34/62/41/709346241.db2.gz ZLYPDCGMGIFOFR-CYBMUJFWSA-N 1 2 341.253 1.913 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC001034102499 709346243 /nfs/dbraw/zinc/34/62/43/709346243.db2.gz ZLYPDCGMGIFOFR-CYBMUJFWSA-N 1 2 341.253 1.913 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nc(C)c(Br)s1 ZINC000921987346 709365086 /nfs/dbraw/zinc/36/50/86/709365086.db2.gz YFJUCCUGLRBYEW-UHFFFAOYSA-N 1 2 339.280 1.904 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3cnns3)C2)[nH]1 ZINC001034164292 709437465 /nfs/dbraw/zinc/43/74/65/709437465.db2.gz DZPKXFJDMIZNMQ-LBPRGKRZSA-N 1 2 330.417 1.522 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3cnns3)C2)[nH]1 ZINC001034164292 709437467 /nfs/dbraw/zinc/43/74/67/709437467.db2.gz DZPKXFJDMIZNMQ-LBPRGKRZSA-N 1 2 330.417 1.522 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nccn2C)C1 ZINC001034404964 709953161 /nfs/dbraw/zinc/95/31/61/709953161.db2.gz WSEMPAABUJLMRI-OAGGEKHMSA-N 1 2 332.448 1.482 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nccn2C)C1 ZINC001034404964 709953167 /nfs/dbraw/zinc/95/31/67/709953167.db2.gz WSEMPAABUJLMRI-OAGGEKHMSA-N 1 2 332.448 1.482 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 ZINC001034440918 710018132 /nfs/dbraw/zinc/01/81/32/710018132.db2.gz AGWMTLMTXXSBFC-HNNXBMFYSA-N 1 2 343.899 1.820 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 ZINC001034440918 710018135 /nfs/dbraw/zinc/01/81/35/710018135.db2.gz AGWMTLMTXXSBFC-HNNXBMFYSA-N 1 2 343.899 1.820 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001034453485 710060647 /nfs/dbraw/zinc/06/06/47/710060647.db2.gz HKMOIXGMAKDNSV-GFCCVEGCSA-N 1 2 334.811 1.461 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001034453485 710060652 /nfs/dbraw/zinc/06/06/52/710060652.db2.gz HKMOIXGMAKDNSV-GFCCVEGCSA-N 1 2 334.811 1.461 20 30 EDEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032894878 710643899 /nfs/dbraw/zinc/64/38/99/710643899.db2.gz YKJULLUXOFFGBT-DOTOQJQBSA-N 1 2 331.391 1.909 20 30 EDEDLO CN(C(=O)[C@H]1CCCO1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032894878 710643903 /nfs/dbraw/zinc/64/39/03/710643903.db2.gz YKJULLUXOFFGBT-DOTOQJQBSA-N 1 2 331.391 1.909 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001032973527 711072831 /nfs/dbraw/zinc/07/28/31/711072831.db2.gz AXGUAKQSMWEAJW-NSHDSACASA-N 1 2 340.221 1.842 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001032973527 711072832 /nfs/dbraw/zinc/07/28/32/711072832.db2.gz AXGUAKQSMWEAJW-NSHDSACASA-N 1 2 340.221 1.842 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032983546 711136895 /nfs/dbraw/zinc/13/68/95/711136895.db2.gz ZOACIEPGZJBHGG-GOSISDBHSA-N 1 2 340.402 1.676 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032983546 711136898 /nfs/dbraw/zinc/13/68/98/711136898.db2.gz ZOACIEPGZJBHGG-GOSISDBHSA-N 1 2 340.402 1.676 20 30 EDEDLO Cc1nc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)no1 ZINC001034911961 711340452 /nfs/dbraw/zinc/34/04/52/711340452.db2.gz LCEPRDFOOHNWSI-ZWNOBZJWSA-N 1 2 328.376 1.533 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc(C3CC3)cn2)CC1 ZINC001004471619 711847864 /nfs/dbraw/zinc/84/78/64/711847864.db2.gz BMQFWBBZCAGXJI-GOSISDBHSA-N 1 2 341.459 1.987 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc(C3CC3)cn2)CC1 ZINC001004471619 711847866 /nfs/dbraw/zinc/84/78/66/711847866.db2.gz BMQFWBBZCAGXJI-GOSISDBHSA-N 1 2 341.459 1.987 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCn3nccc32)CC1 ZINC001004471570 711847869 /nfs/dbraw/zinc/84/78/69/711847869.db2.gz AQVSJEZCZKLQSR-DLBZAZTESA-N 1 2 341.459 1.987 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCn3nccc32)CC1 ZINC001004471570 711847871 /nfs/dbraw/zinc/84/78/71/711847871.db2.gz AQVSJEZCZKLQSR-DLBZAZTESA-N 1 2 341.459 1.987 20 30 EDEDLO COCc1nn(C)cc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004472588 711849458 /nfs/dbraw/zinc/84/94/58/711849458.db2.gz GUYHWHKEUPLWHZ-KRWDZBQOSA-N 1 2 345.447 1.407 20 30 EDEDLO COCc1nn(C)cc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004472588 711849459 /nfs/dbraw/zinc/84/94/59/711849459.db2.gz GUYHWHKEUPLWHZ-KRWDZBQOSA-N 1 2 345.447 1.407 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC001004482181 711852524 /nfs/dbraw/zinc/85/25/24/711852524.db2.gz PGJNBWSIPDNLOR-KRWDZBQOSA-N 1 2 340.427 1.852 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(=O)Nc2ccccc2)CC1 ZINC001004482181 711852527 /nfs/dbraw/zinc/85/25/27/711852527.db2.gz PGJNBWSIPDNLOR-KRWDZBQOSA-N 1 2 340.427 1.852 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnn3cccnc23)CC1 ZINC001004504304 711892293 /nfs/dbraw/zinc/89/22/93/711892293.db2.gz CQXXSNKPXJVGKX-MRXNPFEDSA-N 1 2 338.415 1.569 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnn3cccnc23)CC1 ZINC001004504304 711892294 /nfs/dbraw/zinc/89/22/94/711892294.db2.gz CQXXSNKPXJVGKX-MRXNPFEDSA-N 1 2 338.415 1.569 20 30 EDEDLO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)N1CCCC1=O ZINC001004618087 712078380 /nfs/dbraw/zinc/07/83/80/712078380.db2.gz BCMUYFVMZXGQRZ-DLBZAZTESA-N 1 2 346.475 1.614 20 30 EDEDLO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)N1CCCC1=O ZINC001004618087 712078381 /nfs/dbraw/zinc/07/83/81/712078381.db2.gz BCMUYFVMZXGQRZ-DLBZAZTESA-N 1 2 346.475 1.614 20 30 EDEDLO CCn1nc(C)c(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004627215 712084924 /nfs/dbraw/zinc/08/49/24/712084924.db2.gz WZISGXYYMWSYLK-OAHLLOKOSA-N 1 2 330.436 1.447 20 30 EDEDLO CCn1nc(C)c(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004627215 712084927 /nfs/dbraw/zinc/08/49/27/712084927.db2.gz WZISGXYYMWSYLK-OAHLLOKOSA-N 1 2 330.436 1.447 20 30 EDEDLO N#CCCCCS(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000173892760 231062849 /nfs/dbraw/zinc/06/28/49/231062849.db2.gz OWRORDYFGZFCSM-OAHLLOKOSA-N 1 2 329.466 1.197 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000558723605 306246041 /nfs/dbraw/zinc/24/60/41/306246041.db2.gz RQBQPHYTTUVTIL-CYBMUJFWSA-N 1 2 333.413 1.628 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000558723605 306246042 /nfs/dbraw/zinc/24/60/42/306246042.db2.gz RQBQPHYTTUVTIL-CYBMUJFWSA-N 1 2 333.413 1.628 20 30 EDEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1coc(C2CCCCC2)n1 ZINC000328762907 539363250 /nfs/dbraw/zinc/36/32/50/539363250.db2.gz ZPICNQPEGGUAJZ-AWEZNQCLSA-N 1 2 337.420 1.720 20 30 EDEDLO Cc1cnc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cn1 ZINC000328953556 539378916 /nfs/dbraw/zinc/37/89/16/539378916.db2.gz YBIOUNWSZGSGNW-UHFFFAOYSA-N 1 2 331.420 1.034 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000329016198 539390497 /nfs/dbraw/zinc/39/04/97/539390497.db2.gz QLJBXQHPIHPUBA-OAHLLOKOSA-N 1 2 347.463 1.705 20 30 EDEDLO C[C@]1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCOC1 ZINC000329590447 539446061 /nfs/dbraw/zinc/44/60/61/539446061.db2.gz ZQPSENZAPYNQFW-PKOBYXMFSA-N 1 2 347.459 1.818 20 30 EDEDLO C[C@]1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOC1 ZINC000329590447 539446068 /nfs/dbraw/zinc/44/60/68/539446068.db2.gz ZQPSENZAPYNQFW-PKOBYXMFSA-N 1 2 347.459 1.818 20 30 EDEDLO Cc1noc(-c2ccccc2C(=O)NC[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000329640388 539452332 /nfs/dbraw/zinc/45/23/32/539452332.db2.gz ZUOXAZLAEHZMGZ-ZDUSSCGKSA-N 1 2 329.404 1.595 20 30 EDEDLO Cc1noc(-c2ccccc2C(=O)NC[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000329640388 539452336 /nfs/dbraw/zinc/45/23/36/539452336.db2.gz ZUOXAZLAEHZMGZ-ZDUSSCGKSA-N 1 2 329.404 1.595 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NCc3ccc(C#N)s3)ccn2)CC1 ZINC000560459927 306269627 /nfs/dbraw/zinc/26/96/27/306269627.db2.gz OLEMIIBUAIPEOI-UHFFFAOYSA-N 1 2 341.440 1.436 20 30 EDEDLO COCc1noc(CN2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000189615643 237075606 /nfs/dbraw/zinc/07/56/06/237075606.db2.gz QHJZNBKVSRMMQP-UHFFFAOYSA-N 1 2 327.388 1.405 20 30 EDEDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000565585128 306387154 /nfs/dbraw/zinc/38/71/54/306387154.db2.gz LKZNLFHPXLLWNH-DFEHZGFQSA-N 1 2 327.428 1.887 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](SCC)C(C)C)CC1 ZINC000078678712 201192052 /nfs/dbraw/zinc/19/20/52/201192052.db2.gz QBCNNCNAFSJNAD-MRXNPFEDSA-N 1 2 339.505 1.048 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](SCC)C(C)C)CC1 ZINC000078678712 201192056 /nfs/dbraw/zinc/19/20/56/201192056.db2.gz QBCNNCNAFSJNAD-MRXNPFEDSA-N 1 2 339.505 1.048 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCc1cccc(COCCOCC)c1)C1CC1 ZINC000274161766 201266733 /nfs/dbraw/zinc/26/67/33/201266733.db2.gz MFRPCNPILRMGHL-UHFFFAOYSA-N 1 2 344.455 1.954 20 30 EDEDLO C#CC[N@H+](CC(=O)NCc1cccc(COCCOCC)c1)C1CC1 ZINC000274161766 201266735 /nfs/dbraw/zinc/26/67/35/201266735.db2.gz MFRPCNPILRMGHL-UHFFFAOYSA-N 1 2 344.455 1.954 20 30 EDEDLO C#CC[NH+]1CCC(c2nc(CS(=O)(=O)CCCC)no2)CC1 ZINC000277890082 201307167 /nfs/dbraw/zinc/30/71/67/201307167.db2.gz HFGBRPFORFRNMM-UHFFFAOYSA-N 1 2 325.434 1.597 20 30 EDEDLO CCOC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000298213801 201353995 /nfs/dbraw/zinc/35/39/95/201353995.db2.gz YCHBLHFZJHYQAM-OAHLLOKOSA-N 1 2 333.388 1.072 20 30 EDEDLO COc1ccc(OC)c(C[NH+]2CCN(c3nccnc3C#N)CC2)c1 ZINC000072082104 203161772 /nfs/dbraw/zinc/16/17/72/203161772.db2.gz CWHKNVFWSDDRDF-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000109008783 204275017 /nfs/dbraw/zinc/27/50/17/204275017.db2.gz VJSVNPONMGEBGT-UHFFFAOYSA-N 1 2 339.436 1.943 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155495778 205012120 /nfs/dbraw/zinc/01/21/20/205012120.db2.gz OWPSJAKRYWMBFL-HNNXBMFYSA-N 1 2 342.447 1.283 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155495778 205012124 /nfs/dbraw/zinc/01/21/24/205012124.db2.gz OWPSJAKRYWMBFL-HNNXBMFYSA-N 1 2 342.447 1.283 20 30 EDEDLO N#Cc1ccccc1NC(=O)CCCC(=O)NCC[NH+]1CCOCC1 ZINC000133205378 205360524 /nfs/dbraw/zinc/36/05/24/205360524.db2.gz YMOHBDPYFPXTCU-UHFFFAOYSA-N 1 2 344.415 1.115 20 30 EDEDLO CCN(CC#N)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000345921155 284377036 /nfs/dbraw/zinc/37/70/36/284377036.db2.gz VGGMCHLIBIKGII-CJNGLKHVSA-N 1 2 329.404 1.234 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000155485711 206009977 /nfs/dbraw/zinc/00/99/77/206009977.db2.gz ADNYLPMDNAAXLT-ZDUSSCGKSA-N 1 2 338.371 1.967 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000155485711 206009984 /nfs/dbraw/zinc/00/99/84/206009984.db2.gz ADNYLPMDNAAXLT-ZDUSSCGKSA-N 1 2 338.371 1.967 20 30 EDEDLO Cc1ccc([C@H](CNC(=O)c2ccc(C#N)[nH]2)[NH+]2CCOCC2)cc1 ZINC000159758955 206261883 /nfs/dbraw/zinc/26/18/83/206261883.db2.gz HIOUHOVIVVEAEO-SFHVURJKSA-N 1 2 338.411 1.998 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H](SCC[NH+]2CCOCC2)C1=O ZINC000159848756 206266980 /nfs/dbraw/zinc/26/69/80/206266980.db2.gz UKXFDKJDBCBDRW-CYBMUJFWSA-N 1 2 337.470 1.790 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000247026668 139132002 /nfs/dbraw/zinc/13/20/02/139132002.db2.gz SVMWFVQDCFEEHQ-CRAIPNDOSA-N 1 2 328.368 1.964 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000247026668 139132003 /nfs/dbraw/zinc/13/20/03/139132003.db2.gz SVMWFVQDCFEEHQ-CRAIPNDOSA-N 1 2 328.368 1.964 20 30 EDEDLO C[N@H+](CC(=O)NCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000246233432 249307047 /nfs/dbraw/zinc/30/70/47/249307047.db2.gz HKZUCWSGHQDSHK-TZMCWYRMSA-N 1 2 328.199 1.523 20 30 EDEDLO C[N@@H+](CC(=O)NCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000246233432 249307051 /nfs/dbraw/zinc/30/70/51/249307051.db2.gz HKZUCWSGHQDSHK-TZMCWYRMSA-N 1 2 328.199 1.523 20 30 EDEDLO N#CCCCS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000264065908 249330282 /nfs/dbraw/zinc/33/02/82/249330282.db2.gz ANMCLPYHMWXMSV-UHFFFAOYSA-N 1 2 332.429 1.309 20 30 EDEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248706000 139172484 /nfs/dbraw/zinc/17/24/84/139172484.db2.gz ALPYYKMTYFTRDZ-WBAXXEDZSA-N 1 2 343.427 1.525 20 30 EDEDLO C[C@H](O)C[C@H]1COCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248706000 139172485 /nfs/dbraw/zinc/17/24/85/139172485.db2.gz ALPYYKMTYFTRDZ-WBAXXEDZSA-N 1 2 343.427 1.525 20 30 EDEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(CC#N)cc1 ZINC000343563488 250014323 /nfs/dbraw/zinc/01/43/23/250014323.db2.gz ZHFPJVHVSDWJRM-UHFFFAOYSA-N 1 2 331.416 1.060 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000341980936 250004272 /nfs/dbraw/zinc/00/42/72/250004272.db2.gz DHFSTHHVPSWPPZ-UHFFFAOYSA-N 1 2 338.249 1.873 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2cccc(C(=O)OC)n2)CC1 ZINC000341980153 250004924 /nfs/dbraw/zinc/00/49/24/250004924.db2.gz CHNJKIRHUUNAEV-UHFFFAOYSA-N 1 2 346.387 1.059 20 30 EDEDLO C=CCNC(=O)CNc1c(C(=O)OCC)c[nH+]c2ccc(OC)cc21 ZINC000346208307 250041108 /nfs/dbraw/zinc/04/11/08/250041108.db2.gz LNKMVNNCQWLTHH-UHFFFAOYSA-N 1 2 343.383 1.556 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000352019461 250068932 /nfs/dbraw/zinc/06/89/32/250068932.db2.gz FGNFOIQZXWYBLF-MCIONIFRSA-N 1 2 349.456 1.304 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000352019461 250068935 /nfs/dbraw/zinc/06/89/35/250068935.db2.gz FGNFOIQZXWYBLF-MCIONIFRSA-N 1 2 349.456 1.304 20 30 EDEDLO CN(C1(C#N)CCC1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000353789470 250083659 /nfs/dbraw/zinc/08/36/59/250083659.db2.gz AZQQIXRMMWYGFK-UHFFFAOYSA-N 1 2 330.413 1.998 20 30 EDEDLO CC(C)C[C@@H](CNS(=O)(=O)CCCCC#N)[NH+]1CCOCC1 ZINC000354450145 250090715 /nfs/dbraw/zinc/09/07/15/250090715.db2.gz BIVQCSBRSJUANN-HNNXBMFYSA-N 1 2 331.482 1.347 20 30 EDEDLO C=CCOCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000354791450 250097877 /nfs/dbraw/zinc/09/78/77/250097877.db2.gz NFTQFIVBNDFPOV-UHFFFAOYSA-N 1 2 334.416 1.216 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000361479550 250174208 /nfs/dbraw/zinc/17/42/08/250174208.db2.gz SJWIBDKAFHAKML-INIZCTEOSA-N 1 2 339.480 1.370 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000361479550 250174213 /nfs/dbraw/zinc/17/42/13/250174213.db2.gz SJWIBDKAFHAKML-INIZCTEOSA-N 1 2 339.480 1.370 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000365417413 250187351 /nfs/dbraw/zinc/18/73/51/250187351.db2.gz AUDNECPUMBFNTO-INIZCTEOSA-N 1 2 339.399 1.300 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000365417413 250187355 /nfs/dbraw/zinc/18/73/55/250187355.db2.gz AUDNECPUMBFNTO-INIZCTEOSA-N 1 2 339.399 1.300 20 30 EDEDLO C#CC[C@@H](C)NC(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000373587392 250242262 /nfs/dbraw/zinc/24/22/62/250242262.db2.gz WUJPLEYPUSOVCK-OAHLLOKOSA-N 1 2 343.475 1.767 20 30 EDEDLO C#C[C@H](C)NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000373670311 250243523 /nfs/dbraw/zinc/24/35/23/250243523.db2.gz AMRSWSJNLJBLAH-ZDUSSCGKSA-N 1 2 334.379 1.678 20 30 EDEDLO CC[NH+]1CCN(c2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2)CC1 ZINC000175293104 207113318 /nfs/dbraw/zinc/11/33/18/207113318.db2.gz VSLUKFVVBODVHR-UHFFFAOYSA-N 1 2 349.398 1.547 20 30 EDEDLO C=CCn1cc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)nn1 ZINC000424299711 252191714 /nfs/dbraw/zinc/19/17/14/252191714.db2.gz WDGXHVLKUIKTEU-AWEZNQCLSA-N 1 2 334.445 1.725 20 30 EDEDLO COC(=O)[C@H](C)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000101962885 533171675 /nfs/dbraw/zinc/17/16/75/533171675.db2.gz IDEFJIGBTPSFKG-LLVKDONJSA-N 1 2 342.399 1.455 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554702 533173677 /nfs/dbraw/zinc/17/36/77/533173677.db2.gz WBXASVHKPPKERP-HNNXBMFYSA-N 1 2 325.416 1.441 20 30 EDEDLO COC(=O)c1coc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1 ZINC000471828508 255015998 /nfs/dbraw/zinc/01/59/98/255015998.db2.gz VWADHTKDBDVXLH-UHFFFAOYSA-N 1 2 343.387 1.302 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(OC)c(O)c2)n1 ZINC000491289338 255120598 /nfs/dbraw/zinc/12/05/98/255120598.db2.gz YKGZZCCPOPUPBH-UHFFFAOYSA-N 1 2 329.400 1.879 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(OC)c(O)c2)n1 ZINC000491289338 255120600 /nfs/dbraw/zinc/12/06/00/255120600.db2.gz YKGZZCCPOPUPBH-UHFFFAOYSA-N 1 2 329.400 1.879 20 30 EDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000490713955 255102073 /nfs/dbraw/zinc/10/20/73/255102073.db2.gz MTTBMIFUSUQOGN-SFHVURJKSA-N 1 2 328.387 1.684 20 30 EDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000490713955 255102075 /nfs/dbraw/zinc/10/20/75/255102075.db2.gz MTTBMIFUSUQOGN-SFHVURJKSA-N 1 2 328.387 1.684 20 30 EDEDLO C#CCN(C(=O)c1ccc2[nH+]c(C)n(C)c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490720749 255102744 /nfs/dbraw/zinc/10/27/44/255102744.db2.gz SVZZHMMIKSYFCT-CQSZACIVSA-N 1 2 345.424 1.144 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(CC[C@H](C)O)cc2)CC1 ZINC000490762711 255106095 /nfs/dbraw/zinc/10/60/95/255106095.db2.gz KIVGSYJJTXTKBY-INIZCTEOSA-N 1 2 330.428 1.156 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](c3ccccc3)O[C@@H](C)C2)CC1 ZINC000490778666 255106440 /nfs/dbraw/zinc/10/64/40/255106440.db2.gz IMIMLUVBHPJOOR-HKUYNNGSSA-N 1 2 341.455 1.226 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000490799246 255107677 /nfs/dbraw/zinc/10/76/77/255107677.db2.gz DBCOKLWBOFWLMC-UHFFFAOYSA-N 1 2 333.391 1.577 20 30 EDEDLO C#CC[N@@H+](CCCN(CC)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000491041271 255115959 /nfs/dbraw/zinc/11/59/59/255115959.db2.gz YHQAQGDRSHANPR-CYBMUJFWSA-N 1 2 340.411 1.383 20 30 EDEDLO C#CC[N@H+](CCCN(CC)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000491041271 255115961 /nfs/dbraw/zinc/11/59/61/255115961.db2.gz YHQAQGDRSHANPR-CYBMUJFWSA-N 1 2 340.411 1.383 20 30 EDEDLO C#CC[N@@H+](CCCN(CC)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000491041276 255116027 /nfs/dbraw/zinc/11/60/27/255116027.db2.gz YHQAQGDRSHANPR-ZDUSSCGKSA-N 1 2 340.411 1.383 20 30 EDEDLO C#CC[N@H+](CCCN(CC)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000491041276 255116028 /nfs/dbraw/zinc/11/60/28/255116028.db2.gz YHQAQGDRSHANPR-ZDUSSCGKSA-N 1 2 340.411 1.383 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(C(=O)OCC)cs2)CC1 ZINC000491690114 255141567 /nfs/dbraw/zinc/14/15/67/255141567.db2.gz AOENTBXLWIGWNX-UHFFFAOYSA-N 1 2 335.429 1.281 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494032654 255232303 /nfs/dbraw/zinc/23/23/03/255232303.db2.gz JPCMVGZUQMYWMC-KBPBESRZSA-N 1 2 334.420 1.244 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494032654 255232304 /nfs/dbraw/zinc/23/23/04/255232304.db2.gz JPCMVGZUQMYWMC-KBPBESRZSA-N 1 2 334.420 1.244 20 30 EDEDLO CN(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)C(=O)OCc1ccccc1 ZINC000496215913 255365467 /nfs/dbraw/zinc/36/54/67/255365467.db2.gz ZCCVNRYSESJKSY-SFHVURJKSA-N 1 2 346.431 1.605 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000496471387 255395663 /nfs/dbraw/zinc/39/56/63/255395663.db2.gz QKPQUTMAUVNOCZ-ZDUSSCGKSA-N 1 2 347.419 1.167 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000496471387 255395664 /nfs/dbraw/zinc/39/56/64/255395664.db2.gz QKPQUTMAUVNOCZ-ZDUSSCGKSA-N 1 2 347.419 1.167 20 30 EDEDLO COc1cccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1F ZINC000090499585 533395422 /nfs/dbraw/zinc/39/54/22/533395422.db2.gz GIZDEXDQJQNYBK-UHFFFAOYSA-N 1 2 335.379 1.522 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C#N ZINC000331433065 141026575 /nfs/dbraw/zinc/02/65/75/141026575.db2.gz GHWYOCWXIMQSKE-HNNXBMFYSA-N 1 2 344.396 1.499 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331739269 141075679 /nfs/dbraw/zinc/07/56/79/141075679.db2.gz WMCJOCFSSOPQKE-GOSISDBHSA-N 1 2 331.391 1.647 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331739269 141075680 /nfs/dbraw/zinc/07/56/80/141075680.db2.gz WMCJOCFSSOPQKE-GOSISDBHSA-N 1 2 331.391 1.647 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000332688629 141229080 /nfs/dbraw/zinc/22/90/80/141229080.db2.gz VBEUYEFOJQCWON-SFHVURJKSA-N 1 2 347.415 1.996 20 30 EDEDLO Cc1cc(C)n2c(C[NH+]3CCN(c4cccc(C#N)n4)CC3)cnc2n1 ZINC000355458608 150277721 /nfs/dbraw/zinc/27/77/21/150277721.db2.gz RTBZJNXBADBCAA-UHFFFAOYSA-N 1 2 347.426 1.935 20 30 EDEDLO C[C@@H](c1cccc(NC(=O)c2cnn(C)c2C#N)c1)[NH+]1CCOCC1 ZINC000355670084 150356287 /nfs/dbraw/zinc/35/62/87/150356287.db2.gz DVBBGQUYQYFJSG-ZDUSSCGKSA-N 1 2 339.399 1.937 20 30 EDEDLO CC(C)OC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000372129574 156234387 /nfs/dbraw/zinc/23/43/87/156234387.db2.gz YCQCBRZIGISYAQ-AEFFLSMTSA-N 1 2 334.416 1.424 20 30 EDEDLO CC(C)OC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000372129574 156234389 /nfs/dbraw/zinc/23/43/89/156234389.db2.gz YCQCBRZIGISYAQ-AEFFLSMTSA-N 1 2 334.416 1.424 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1C#N ZINC000408363054 158342260 /nfs/dbraw/zinc/34/22/60/158342260.db2.gz UALGOYRADAQDPH-UHFFFAOYSA-N 1 2 331.401 1.553 20 30 EDEDLO Cc1nsc(N2CC[NH+](C[C@H](O)COCC(C)C)CC2)c1C#N ZINC000352188073 162038879 /nfs/dbraw/zinc/03/88/79/162038879.db2.gz FDYSJLSURHOXFD-AWEZNQCLSA-N 1 2 338.477 1.479 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000352326277 162118944 /nfs/dbraw/zinc/11/89/44/162118944.db2.gz DXWRCTFWHIOKER-HNNXBMFYSA-N 1 2 346.412 1.662 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000077836554 287291597 /nfs/dbraw/zinc/29/15/97/287291597.db2.gz BKPZDPRSYGUAQT-UHFFFAOYSA-N 1 2 337.383 1.900 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000080983005 287309997 /nfs/dbraw/zinc/30/99/97/287309997.db2.gz MJXAHYQIPBLPFL-SFHVURJKSA-N 1 2 338.411 1.700 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000124631910 287399522 /nfs/dbraw/zinc/39/95/22/287399522.db2.gz BZSXVHROPZOKHU-OAHLLOKOSA-N 1 2 344.459 1.599 20 30 EDEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000124631910 287399524 /nfs/dbraw/zinc/39/95/24/287399524.db2.gz BZSXVHROPZOKHU-OAHLLOKOSA-N 1 2 344.459 1.599 20 30 EDEDLO N#Cc1ncn(-c2ccccc2NC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000426822649 270012742 /nfs/dbraw/zinc/01/27/42/270012742.db2.gz DTQVGTKXBFHXNN-LBPRGKRZSA-N 1 2 333.355 1.537 20 30 EDEDLO CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CC(=O)N(C)C1=O ZINC000282522348 266043963 /nfs/dbraw/zinc/04/39/63/266043963.db2.gz POTXECJYOMFFAB-CYBMUJFWSA-N 1 2 346.387 1.176 20 30 EDEDLO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CC(=O)N(C)C1=O ZINC000282522348 266043968 /nfs/dbraw/zinc/04/39/68/266043968.db2.gz POTXECJYOMFFAB-CYBMUJFWSA-N 1 2 346.387 1.176 20 30 EDEDLO COc1ccccc1[C@H]1CN(C(=O)c2cnn(C)c2C#N)CC[NH2+]1 ZINC000337611913 266905082 /nfs/dbraw/zinc/90/50/82/266905082.db2.gz ZAPGPUJSJPQQAV-CQSZACIVSA-N 1 2 325.372 1.087 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H](C)[N@H+]1C ZINC000339065512 267059043 /nfs/dbraw/zinc/05/90/43/267059043.db2.gz GDONUZKRDNCHOH-PHIMTYICSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H](C)[N@@H+]1C ZINC000339065512 267059045 /nfs/dbraw/zinc/05/90/45/267059045.db2.gz GDONUZKRDNCHOH-PHIMTYICSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000299653434 267131066 /nfs/dbraw/zinc/13/10/66/267131066.db2.gz SZWSTMJMOIPAJX-CQSZACIVSA-N 1 2 349.438 1.896 20 30 EDEDLO Cc1cc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C#N)c(C)n1 ZINC000301755675 267346474 /nfs/dbraw/zinc/34/64/74/267346474.db2.gz DDOWFBSQNNGUHX-UHFFFAOYSA-N 1 2 336.461 1.491 20 30 EDEDLO Cc1ccn2cc(CNS(=O)(=O)c3cccnc3C#N)[nH+]c2c1 ZINC000428237944 268062844 /nfs/dbraw/zinc/06/28/44/268062844.db2.gz KRCSKQMSOSCNMX-UHFFFAOYSA-N 1 2 327.369 1.388 20 30 EDEDLO Cc1nc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)sc1C ZINC000514799245 268077841 /nfs/dbraw/zinc/07/78/41/268077841.db2.gz PYZCSSRFBXRQBN-UHFFFAOYSA-N 1 2 344.440 1.674 20 30 EDEDLO Cc1nn(C)cc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448576693 268092461 /nfs/dbraw/zinc/09/24/61/268092461.db2.gz DBONQYLOHVLXDO-UHFFFAOYSA-N 1 2 337.427 1.487 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000274228354 268114340 /nfs/dbraw/zinc/11/43/40/268114340.db2.gz PTYZILHCHPRFCN-UHFFFAOYSA-N 1 2 340.349 1.963 20 30 EDEDLO N#Cc1c(F)cccc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274239714 268117186 /nfs/dbraw/zinc/11/71/86/268117186.db2.gz SYDGEBHUAOVPDC-UHFFFAOYSA-N 1 2 328.365 1.128 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC([C@@H]3CCCO3)CC2)nc1 ZINC000289439233 268187251 /nfs/dbraw/zinc/18/72/51/268187251.db2.gz OHOFZTSLQBWZKX-INIZCTEOSA-N 1 2 349.456 1.618 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000428401490 268325141 /nfs/dbraw/zinc/32/51/41/268325141.db2.gz NCFXOZCFYKJAPC-UHFFFAOYSA-N 1 2 345.306 1.191 20 30 EDEDLO Cc1nc(N2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)cc[nH+]1 ZINC000279362154 273295602 /nfs/dbraw/zinc/29/56/02/273295602.db2.gz KPABUMZWGAJULN-UHFFFAOYSA-N 1 2 325.347 1.758 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)C(=O)C1 ZINC000374847647 277103792 /nfs/dbraw/zinc/10/37/92/277103792.db2.gz SGXZUIIZHDCEFY-UHFFFAOYSA-N 1 2 343.387 1.209 20 30 EDEDLO C[N@H+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)C(=O)C1 ZINC000374847647 277103793 /nfs/dbraw/zinc/10/37/93/277103793.db2.gz SGXZUIIZHDCEFY-UHFFFAOYSA-N 1 2 343.387 1.209 20 30 EDEDLO C=CCn1cc(CNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)nn1 ZINC000425794168 447305019 /nfs/dbraw/zinc/30/50/19/447305019.db2.gz ANQXTYWQAOKTNR-UHFFFAOYSA-N 1 2 328.376 1.039 20 30 EDEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000451932343 288284654 /nfs/dbraw/zinc/28/46/54/288284654.db2.gz MYTGANAABQIAEV-AWEZNQCLSA-N 1 2 325.409 1.802 20 30 EDEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000451932343 288284655 /nfs/dbraw/zinc/28/46/55/288284655.db2.gz MYTGANAABQIAEV-AWEZNQCLSA-N 1 2 325.409 1.802 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C#N)ccn2)nc[nH+]1 ZINC000287932211 288360101 /nfs/dbraw/zinc/36/01/01/288360101.db2.gz HDJLVSVXCRTGNI-ZDUSSCGKSA-N 1 2 337.387 1.184 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C#N)ccn2)[nH+]cn1 ZINC000287932211 288360106 /nfs/dbraw/zinc/36/01/06/288360106.db2.gz HDJLVSVXCRTGNI-ZDUSSCGKSA-N 1 2 337.387 1.184 20 30 EDEDLO N#C[C@H]1CSCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450400036 294852092 /nfs/dbraw/zinc/85/20/92/294852092.db2.gz BKNQTXJZOVGEFM-LBPRGKRZSA-N 1 2 343.368 1.862 20 30 EDEDLO C[C@@H]1[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000496377122 297738393 /nfs/dbraw/zinc/73/83/93/297738393.db2.gz KGMFITZXKVYYDH-PBFPGSCMSA-N 1 2 338.452 1.592 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)c1ccccc1 ZINC000372736989 303151944 /nfs/dbraw/zinc/15/19/44/303151944.db2.gz HOEHHHKNXBKUQU-ZVZYQTTQSA-N 1 2 340.427 1.519 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)c1ccccc1 ZINC000372736989 303151946 /nfs/dbraw/zinc/15/19/46/303151946.db2.gz HOEHHHKNXBKUQU-ZVZYQTTQSA-N 1 2 340.427 1.519 20 30 EDEDLO COc1cc(/C=C\C(=O)N2CCn3c[nH+]cc3C2)ccc1OCC#N ZINC000493516936 447337973 /nfs/dbraw/zinc/33/79/73/447337973.db2.gz JJFNRHPGSSYKTC-HYXAFXHYSA-N 1 2 338.367 1.850 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1C ZINC000493581198 447346180 /nfs/dbraw/zinc/34/61/80/447346180.db2.gz NSPQMSAGKWCPCR-ZBFHGGJFSA-N 1 2 331.416 1.904 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1C ZINC000493581198 447346184 /nfs/dbraw/zinc/34/61/84/447346184.db2.gz NSPQMSAGKWCPCR-ZBFHGGJFSA-N 1 2 331.416 1.904 20 30 EDEDLO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@]3(C#N)C[C@H]3C)CC2)cn1 ZINC000448922918 447356833 /nfs/dbraw/zinc/35/68/33/447356833.db2.gz STVYFCPTAIIYKU-CRAIPNDOSA-N 1 2 329.448 1.877 20 30 EDEDLO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@]3(C#N)C[C@H]3C)CC2)cn1 ZINC000448922918 447356839 /nfs/dbraw/zinc/35/68/39/447356839.db2.gz STVYFCPTAIIYKU-CRAIPNDOSA-N 1 2 329.448 1.877 20 30 EDEDLO Cn1ccnc1CN1CCC[C@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000554969434 306199359 /nfs/dbraw/zinc/19/93/59/306199359.db2.gz LJWBHBWDEHDUPK-LBPRGKRZSA-N 1 2 330.417 1.029 20 30 EDEDLO N#C[C@@H]1C[N@@H+](CC[C@H]2CCOC2=O)C[C@]12C(=O)Nc1ccccc12 ZINC000378291012 447414700 /nfs/dbraw/zinc/41/47/00/447414700.db2.gz NPBNDMJLGCSUIV-JCGVRSQUSA-N 1 2 325.368 1.285 20 30 EDEDLO N#C[C@@H]1C[N@H+](CC[C@H]2CCOC2=O)C[C@]12C(=O)Nc1ccccc12 ZINC000378291012 447414703 /nfs/dbraw/zinc/41/47/03/447414703.db2.gz NPBNDMJLGCSUIV-JCGVRSQUSA-N 1 2 325.368 1.285 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)N(C)CCC#N ZINC000045797973 441037272 /nfs/dbraw/zinc/03/72/72/441037272.db2.gz VPGCQICWLNNZMX-UHFFFAOYSA-N 1 2 335.433 1.415 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000047459599 441192553 /nfs/dbraw/zinc/19/25/53/441192553.db2.gz SNDGHKUNPIXXGO-UHFFFAOYSA-N 1 2 340.383 1.723 20 30 EDEDLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000047796370 441227885 /nfs/dbraw/zinc/22/78/85/441227885.db2.gz GCGPGCZMWXIKPB-VBQJREDUSA-N 1 2 338.452 1.640 20 30 EDEDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000047796370 441227889 /nfs/dbraw/zinc/22/78/89/441227889.db2.gz GCGPGCZMWXIKPB-VBQJREDUSA-N 1 2 338.452 1.640 20 30 EDEDLO Cc1csc(=O)n1CC[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481455 441245999 /nfs/dbraw/zinc/24/59/99/441245999.db2.gz PHBGKUIHQHUEEP-UHFFFAOYSA-N 1 2 329.429 1.307 20 30 EDEDLO CCC(C)(C)NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258597 441292445 /nfs/dbraw/zinc/29/24/45/441292445.db2.gz BCYQECMJDQIKAS-UHFFFAOYSA-N 1 2 328.460 1.981 20 30 EDEDLO CCC(C)(C)NC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023258597 441292449 /nfs/dbraw/zinc/29/24/49/441292449.db2.gz BCYQECMJDQIKAS-UHFFFAOYSA-N 1 2 328.460 1.981 20 30 EDEDLO N#Cc1ccc(OCC[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000023288068 441293246 /nfs/dbraw/zinc/29/32/46/441293246.db2.gz MDTBSFJMDXNBGH-UHFFFAOYSA-N 1 2 342.443 1.177 20 30 EDEDLO N#Cc1ccc(OCCN2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000023288068 441293250 /nfs/dbraw/zinc/29/32/50/441293250.db2.gz MDTBSFJMDXNBGH-UHFFFAOYSA-N 1 2 342.443 1.177 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000024594037 441314693 /nfs/dbraw/zinc/31/46/93/441314693.db2.gz UMDNGLCEDOWKPY-UHFFFAOYSA-N 1 2 332.429 1.503 20 30 EDEDLO CC(=O)NC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000050993236 441395610 /nfs/dbraw/zinc/39/56/10/441395610.db2.gz WXLDDBPVCMASLJ-UHFFFAOYSA-N 1 2 334.807 1.751 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](OCCO)C2)C1=O ZINC000083174352 441353202 /nfs/dbraw/zinc/35/32/02/441353202.db2.gz LLYXFJHKOZUDRF-KBPBESRZSA-N 1 2 335.429 1.198 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](OCCO)C2)C1=O ZINC000083174352 441353206 /nfs/dbraw/zinc/35/32/06/441353206.db2.gz LLYXFJHKOZUDRF-KBPBESRZSA-N 1 2 335.429 1.198 20 30 EDEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)N(C)CCC#N)CC2)c1 ZINC000027954559 441419342 /nfs/dbraw/zinc/41/93/42/441419342.db2.gz HZFRFAWJDVQIDW-UHFFFAOYSA-N 1 2 336.461 1.203 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000051154261 441401193 /nfs/dbraw/zinc/40/11/93/441401193.db2.gz DTUJLBLTEZASAQ-OAHLLOKOSA-N 1 2 330.432 1.522 20 30 EDEDLO COc1ccc(OC)c2c1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C[C@H]2O ZINC000053147004 441500604 /nfs/dbraw/zinc/50/06/04/441500604.db2.gz VLAHUOIVFDTSNH-GXTWGEPZSA-N 1 2 347.415 1.313 20 30 EDEDLO COc1ccc(OC)c2c1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C[C@H]2O ZINC000053147004 441500608 /nfs/dbraw/zinc/50/06/08/441500608.db2.gz VLAHUOIVFDTSNH-GXTWGEPZSA-N 1 2 347.415 1.313 20 30 EDEDLO CCOCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450319 441459886 /nfs/dbraw/zinc/45/98/86/441459886.db2.gz UBZUGWJFDDTCMO-HNNXBMFYSA-N 1 2 345.447 1.007 20 30 EDEDLO C[N@H+](CCN1CCOCC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075713516 441550240 /nfs/dbraw/zinc/55/02/40/441550240.db2.gz KEWBUSAWODRXJK-UHFFFAOYSA-N 1 2 327.388 1.372 20 30 EDEDLO C[N@@H+](CCN1CCOCC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075713516 441550245 /nfs/dbraw/zinc/55/02/45/441550245.db2.gz KEWBUSAWODRXJK-UHFFFAOYSA-N 1 2 327.388 1.372 20 30 EDEDLO CN(CC[NH+]1CCOCC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075713516 441550247 /nfs/dbraw/zinc/55/02/47/441550247.db2.gz KEWBUSAWODRXJK-UHFFFAOYSA-N 1 2 327.388 1.372 20 30 EDEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000053797951 441541480 /nfs/dbraw/zinc/54/14/80/441541480.db2.gz LBUWDQQLCXUCTC-UHFFFAOYSA-N 1 2 342.443 1.425 20 30 EDEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000053797951 441541483 /nfs/dbraw/zinc/54/14/83/441541483.db2.gz LBUWDQQLCXUCTC-UHFFFAOYSA-N 1 2 342.443 1.425 20 30 EDEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(O)(C(F)(F)F)CC2)c1 ZINC000089970883 441607865 /nfs/dbraw/zinc/60/78/65/441607865.db2.gz UYVXFHNUAVCJMK-UHFFFAOYSA-N 1 2 327.306 1.886 20 30 EDEDLO C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000076218662 441613462 /nfs/dbraw/zinc/61/34/62/441613462.db2.gz NYVLSCXKPCBTBX-AWEZNQCLSA-N 1 2 347.440 1.537 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000114736781 441680037 /nfs/dbraw/zinc/68/00/37/441680037.db2.gz CEQBQZGYBVJBBB-UHFFFAOYSA-N 1 2 330.413 1.806 20 30 EDEDLO CN(CCC#N)S(=O)(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000056076273 441687378 /nfs/dbraw/zinc/68/73/78/441687378.db2.gz XVWGBVYHKZDRHP-UHFFFAOYSA-N 1 2 333.417 1.111 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000076876094 441691204 /nfs/dbraw/zinc/69/12/04/441691204.db2.gz CBEKCBOGVDLVAN-QGZVFWFLSA-N 1 2 343.427 1.627 20 30 EDEDLO CCOc1ccc(C[NH+]2CCN(C(=O)CSCC#N)CC2)cc1 ZINC000041789156 441674340 /nfs/dbraw/zinc/67/43/40/441674340.db2.gz QIYPAIJOUDIMDY-UHFFFAOYSA-N 1 2 333.457 1.986 20 30 EDEDLO N#CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOCC1 ZINC000115467296 441747064 /nfs/dbraw/zinc/74/70/64/441747064.db2.gz OPVJIDMGHWLJRO-UHFFFAOYSA-N 1 2 341.327 1.583 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CC(N)=O)CC2)c(C#N)c1C ZINC000077168599 441726038 /nfs/dbraw/zinc/72/60/38/441726038.db2.gz UXKBBYVHTLCFDS-LLVKDONJSA-N 1 2 332.404 1.683 20 30 EDEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000138690299 441797074 /nfs/dbraw/zinc/79/70/74/441797074.db2.gz ZKMUTXJVHWAVRF-NEPJUHHUSA-N 1 2 349.456 1.519 20 30 EDEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000138690299 441797080 /nfs/dbraw/zinc/79/70/80/441797080.db2.gz ZKMUTXJVHWAVRF-NEPJUHHUSA-N 1 2 349.456 1.519 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)Cc2cc(C(C)=O)ccc2OC)CC1 ZINC000068445601 441800413 /nfs/dbraw/zinc/80/04/13/441800413.db2.gz VTOJHCLMXMFNBF-UHFFFAOYSA-N 1 2 328.412 1.608 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000122213927 441839904 /nfs/dbraw/zinc/83/99/04/441839904.db2.gz KCTFYKKCMYSKBL-FNORWQNLSA-N 1 2 344.415 1.528 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000122233881 441840160 /nfs/dbraw/zinc/84/01/60/441840160.db2.gz DXDZZVNJKVRNLI-UHFFFAOYSA-N 1 2 327.428 1.382 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000122233881 441840166 /nfs/dbraw/zinc/84/01/66/441840166.db2.gz DXDZZVNJKVRNLI-UHFFFAOYSA-N 1 2 327.428 1.382 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000043584901 441848043 /nfs/dbraw/zinc/84/80/43/441848043.db2.gz VIIVXTIHIKLEOP-ZDUSSCGKSA-N 1 2 346.431 1.520 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000043584901 441848047 /nfs/dbraw/zinc/84/80/47/441848047.db2.gz VIIVXTIHIKLEOP-ZDUSSCGKSA-N 1 2 346.431 1.520 20 30 EDEDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000122431367 441850283 /nfs/dbraw/zinc/85/02/83/441850283.db2.gz VSJLQIJIEHGVJD-HNNXBMFYSA-N 1 2 330.432 1.780 20 30 EDEDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000122431367 441850286 /nfs/dbraw/zinc/85/02/86/441850286.db2.gz VSJLQIJIEHGVJD-HNNXBMFYSA-N 1 2 330.432 1.780 20 30 EDEDLO Cc1cc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)s3)CC2)no1 ZINC000123146060 441877540 /nfs/dbraw/zinc/87/75/40/441877540.db2.gz RLVBKULLXSCSPP-UHFFFAOYSA-N 1 2 345.428 1.673 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000151041040 441994267 /nfs/dbraw/zinc/99/42/67/441994267.db2.gz LSFXWXDGYBTFDR-UHFFFAOYSA-N 1 2 344.371 1.866 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152189954 442178775 /nfs/dbraw/zinc/17/87/75/442178775.db2.gz LRJAVIQJTDSVBM-KSSFIOAISA-N 1 2 344.463 1.916 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152189954 442178778 /nfs/dbraw/zinc/17/87/78/442178778.db2.gz LRJAVIQJTDSVBM-KSSFIOAISA-N 1 2 344.463 1.916 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000153151091 442264844 /nfs/dbraw/zinc/26/48/44/442264844.db2.gz QEGUOZGCSYMZCP-KRWDZBQOSA-N 1 2 328.460 1.788 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153151091 442264846 /nfs/dbraw/zinc/26/48/46/442264846.db2.gz QEGUOZGCSYMZCP-KRWDZBQOSA-N 1 2 328.460 1.788 20 30 EDEDLO CC(=O)Nc1nc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cs1 ZINC000153293739 442273734 /nfs/dbraw/zinc/27/37/34/442273734.db2.gz CYEPUKYWPAVWBQ-UHFFFAOYSA-N 1 2 333.421 1.343 20 30 EDEDLO CC(=O)Nc1nc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cs1 ZINC000153293739 442273736 /nfs/dbraw/zinc/27/37/36/442273736.db2.gz CYEPUKYWPAVWBQ-UHFFFAOYSA-N 1 2 333.421 1.343 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000176975449 442279718 /nfs/dbraw/zinc/27/97/18/442279718.db2.gz QYYZFURLFSLBEP-UHFFFAOYSA-N 1 2 344.419 1.434 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2noc(CC)n2)CC1 ZINC000177306860 442326882 /nfs/dbraw/zinc/32/68/82/442326882.db2.gz RUCHKNLSOVYCNG-HNNXBMFYSA-N 1 2 347.463 1.339 20 30 EDEDLO CC(=O)Nc1ccccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000155223147 442382263 /nfs/dbraw/zinc/38/22/63/442382263.db2.gz ZLFDVSIPYFGLMO-UHFFFAOYSA-N 1 2 330.432 1.693 20 30 EDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000155308332 442386476 /nfs/dbraw/zinc/38/64/76/442386476.db2.gz MPDVECYNIJZLOX-CABCVRRESA-N 1 2 345.443 1.987 20 30 EDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000155308332 442386478 /nfs/dbraw/zinc/38/64/78/442386478.db2.gz MPDVECYNIJZLOX-CABCVRRESA-N 1 2 345.443 1.987 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)ccc1F ZINC000178032100 442402745 /nfs/dbraw/zinc/40/27/45/442402745.db2.gz LEIIXHGECXDHCL-UHFFFAOYSA-N 1 2 337.314 1.600 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](OCCO)C2)cc1Cl ZINC000172302742 442439787 /nfs/dbraw/zinc/43/97/87/442439787.db2.gz POHUKPKSGMXMHG-CQSZACIVSA-N 1 2 337.807 1.623 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](OCCO)C2)cc1Cl ZINC000172302742 442439790 /nfs/dbraw/zinc/43/97/90/442439790.db2.gz POHUKPKSGMXMHG-CQSZACIVSA-N 1 2 337.807 1.623 20 30 EDEDLO C=CC[N@@H+](CCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000178764641 442478449 /nfs/dbraw/zinc/47/84/49/442478449.db2.gz XJTWQIKHUIQDKE-CQSZACIVSA-N 1 2 325.430 1.749 20 30 EDEDLO C=CC[N@H+](CCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000178764641 442478456 /nfs/dbraw/zinc/47/84/56/442478456.db2.gz XJTWQIKHUIQDKE-CQSZACIVSA-N 1 2 325.430 1.749 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H](C)[N@H+]1C ZINC000135261429 442573055 /nfs/dbraw/zinc/57/30/55/442573055.db2.gz PKDKGHZVUYFAQQ-PHIMTYICSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H](C)[N@@H+]1C ZINC000135261429 442573059 /nfs/dbraw/zinc/57/30/59/442573059.db2.gz PKDKGHZVUYFAQQ-PHIMTYICSA-N 1 2 327.837 1.925 20 30 EDEDLO C=CC[C@@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000192483081 442652408 /nfs/dbraw/zinc/65/24/08/442652408.db2.gz OJSNSNDHMBYUSL-HPUBIQBYSA-N 1 2 325.453 1.520 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000192233692 442619078 /nfs/dbraw/zinc/61/90/78/442619078.db2.gz XLOUXCINHOXNNC-UHFFFAOYSA-N 1 2 328.153 1.795 20 30 EDEDLO C#CC[N@H+](C)CC(=O)Nc1ccc(I)cc1 ZINC000192233692 442619079 /nfs/dbraw/zinc/61/90/79/442619079.db2.gz XLOUXCINHOXNNC-UHFFFAOYSA-N 1 2 328.153 1.795 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H](C)OC(C)(C)C2)CC1 ZINC000180577208 442625265 /nfs/dbraw/zinc/62/52/65/442625265.db2.gz QOIIKLZYFALYHY-HOTGVXAUSA-N 1 2 336.480 1.178 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)OC(C)(C)C2)CC1 ZINC000180577208 442625267 /nfs/dbraw/zinc/62/52/67/442625267.db2.gz QOIIKLZYFALYHY-HOTGVXAUSA-N 1 2 336.480 1.178 20 30 EDEDLO C=C(C)[C@H]([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)c1ccc(F)c(F)c1 ZINC000187792830 442692365 /nfs/dbraw/zinc/69/23/65/442692365.db2.gz MXKKHDWMJABCIE-BZNIZROVSA-N 1 2 339.386 1.765 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc(N)c2ccccc2n1 ZINC000181409092 442695477 /nfs/dbraw/zinc/69/54/77/442695477.db2.gz XPLZAAFUBQVXMX-UHFFFAOYSA-N 1 2 340.431 1.260 20 30 EDEDLO C#CCOc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000188082173 442709408 /nfs/dbraw/zinc/70/94/08/442709408.db2.gz AEYYSQVQLSBHNE-HNNXBMFYSA-N 1 2 330.432 1.456 20 30 EDEDLO CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000246432243 442781246 /nfs/dbraw/zinc/78/12/46/442781246.db2.gz SZMKMALTJHFBFZ-HUUCEWRRSA-N 1 2 346.435 1.728 20 30 EDEDLO CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000246432243 442781249 /nfs/dbraw/zinc/78/12/49/442781249.db2.gz SZMKMALTJHFBFZ-HUUCEWRRSA-N 1 2 346.435 1.728 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000188805954 442818262 /nfs/dbraw/zinc/81/82/62/442818262.db2.gz OHNCBSWWRXYNRG-ZDUSSCGKSA-N 1 2 337.445 1.024 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@H+]1CC(C)(C)O ZINC000188805954 442818265 /nfs/dbraw/zinc/81/82/65/442818265.db2.gz OHNCBSWWRXYNRG-ZDUSSCGKSA-N 1 2 337.445 1.024 20 30 EDEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000268127863 442859366 /nfs/dbraw/zinc/85/93/66/442859366.db2.gz BTDZWLVXZQXKJI-ACJLOTCBSA-N 1 2 328.416 1.343 20 30 EDEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000268127863 442859368 /nfs/dbraw/zinc/85/93/68/442859368.db2.gz BTDZWLVXZQXKJI-ACJLOTCBSA-N 1 2 328.416 1.343 20 30 EDEDLO N#Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000159117358 318416719 /nfs/dbraw/zinc/41/67/19/318416719.db2.gz TYKXKIKVQFVDMX-UHFFFAOYSA-N 1 2 335.411 1.981 20 30 EDEDLO Cn1cc(CN(CCC#N)CC[NH+]2CCOCC2)c(C(C)(C)C)n1 ZINC000183373197 442925630 /nfs/dbraw/zinc/92/56/30/442925630.db2.gz NKNSOESPOFAHDF-UHFFFAOYSA-N 1 2 333.480 1.765 20 30 EDEDLO C[C@@H]1CC[C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 ZINC000190352923 443090638 /nfs/dbraw/zinc/09/06/38/443090638.db2.gz XVPZQRPKDAONHD-GDBMZVCRSA-N 1 2 349.456 1.432 20 30 EDEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000185112912 443139755 /nfs/dbraw/zinc/13/97/55/443139755.db2.gz COYHIMXFEXPIIH-CHNSCGDPSA-N 1 2 327.837 1.849 20 30 EDEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000185112912 443139760 /nfs/dbraw/zinc/13/97/60/443139760.db2.gz COYHIMXFEXPIIH-CHNSCGDPSA-N 1 2 327.837 1.849 20 30 EDEDLO C=CC[N@@H+](CCOC)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000191086977 443238867 /nfs/dbraw/zinc/23/88/67/443238867.db2.gz BADNKCYOQOHSPF-CYBMUJFWSA-N 1 2 338.429 1.774 20 30 EDEDLO C=CC[N@H+](CCOC)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000191086977 443238871 /nfs/dbraw/zinc/23/88/71/443238871.db2.gz BADNKCYOQOHSPF-CYBMUJFWSA-N 1 2 338.429 1.774 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccnc(C#N)c2)cc1 ZINC000610993806 450400211 /nfs/dbraw/zinc/40/02/11/450400211.db2.gz JCLOKBRQSUFBJC-UHFFFAOYSA-N 1 2 344.440 1.672 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccnc(C#N)c2)cc1 ZINC000610993806 450400217 /nfs/dbraw/zinc/40/02/17/450400217.db2.gz JCLOKBRQSUFBJC-UHFFFAOYSA-N 1 2 344.440 1.672 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000266849665 443267316 /nfs/dbraw/zinc/26/73/16/443267316.db2.gz CFJNYBLURWISCI-UHFFFAOYSA-N 1 2 325.416 1.192 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCc2nnnn2CC(F)(F)F)cc1 ZINC000191477865 443300623 /nfs/dbraw/zinc/30/06/23/443300623.db2.gz HHSHGLLLFCBUEV-UHFFFAOYSA-N 1 2 330.270 1.081 20 30 EDEDLO CNC(=O)[C@@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272522171 443349392 /nfs/dbraw/zinc/34/93/92/443349392.db2.gz HJYAHEJIVWAJHU-INIZCTEOSA-N 1 2 328.416 1.216 20 30 EDEDLO C=C(C)COc1cccc(NC(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000270598557 443476244 /nfs/dbraw/zinc/47/62/44/443476244.db2.gz XPLKTASGLKSNCU-INIZCTEOSA-N 1 2 349.431 1.456 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)c2ccccc21 ZINC000270589842 443477000 /nfs/dbraw/zinc/47/70/00/443477000.db2.gz BGXVYSXPKKUTSG-ZDUSSCGKSA-N 1 2 339.399 1.480 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)c2ccccc21 ZINC000270589842 443477006 /nfs/dbraw/zinc/47/70/06/443477006.db2.gz BGXVYSXPKKUTSG-ZDUSSCGKSA-N 1 2 339.399 1.480 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000272898557 443483084 /nfs/dbraw/zinc/48/30/84/443483084.db2.gz UPOMKFJOXCWSHJ-MRXNPFEDSA-N 1 2 338.473 1.787 20 30 EDEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ncnn1CC(F)F ZINC000279049942 443501303 /nfs/dbraw/zinc/50/13/03/443501303.db2.gz YJDDAPZOSOPHPT-UHFFFAOYSA-N 1 2 348.357 1.875 20 30 EDEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ncnn1CC(F)F ZINC000279049942 443501305 /nfs/dbraw/zinc/50/13/05/443501305.db2.gz YJDDAPZOSOPHPT-UHFFFAOYSA-N 1 2 348.357 1.875 20 30 EDEDLO CCc1nnc([C@@H]2C[N@H+](CCOc3cccc(C#N)c3)CCO2)o1 ZINC000279095890 443512498 /nfs/dbraw/zinc/51/24/98/443512498.db2.gz IUSCZEUOQUPNDS-HNNXBMFYSA-N 1 2 328.372 1.956 20 30 EDEDLO CCc1nnc([C@@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCO2)o1 ZINC000279095890 443512500 /nfs/dbraw/zinc/51/25/00/443512500.db2.gz IUSCZEUOQUPNDS-HNNXBMFYSA-N 1 2 328.372 1.956 20 30 EDEDLO COc1cc(C(N)=[NH+]OCc2nnc(C)n2C)cc(Cl)c1OC ZINC000273414337 443571854 /nfs/dbraw/zinc/57/18/54/443571854.db2.gz DYTILKAAXOWHMS-UHFFFAOYSA-N 1 2 339.783 1.631 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1ccc(OCC#N)cc1 ZINC000279280264 443548822 /nfs/dbraw/zinc/54/88/22/443548822.db2.gz KKAYANYRCJCLIH-HNNXBMFYSA-N 1 2 331.416 1.311 20 30 EDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000279848730 443632212 /nfs/dbraw/zinc/63/22/12/443632212.db2.gz ASWAXTJYPXJTII-QGZVFWFLSA-N 1 2 338.411 1.222 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000286702512 443721467 /nfs/dbraw/zinc/72/14/67/443721467.db2.gz ADOOBQCKZMHZFT-ZIAGYGMSSA-N 1 2 336.457 1.721 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000287525540 443746594 /nfs/dbraw/zinc/74/65/94/443746594.db2.gz RQZSBLKRCSIFML-SFHVURJKSA-N 1 2 342.439 1.816 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000287525540 443746597 /nfs/dbraw/zinc/74/65/97/443746597.db2.gz RQZSBLKRCSIFML-SFHVURJKSA-N 1 2 342.439 1.816 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc2[nH]c1=S ZINC000286855043 443727356 /nfs/dbraw/zinc/72/73/56/443727356.db2.gz BLNCVNUICFSSDV-NSHDSACASA-N 1 2 346.456 1.551 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000280762494 443743435 /nfs/dbraw/zinc/74/34/35/443743435.db2.gz OJEMMWIYFGODKH-GLXFQSAKSA-N 1 2 333.388 1.836 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000280762494 443743438 /nfs/dbraw/zinc/74/34/38/443743438.db2.gz OJEMMWIYFGODKH-GLXFQSAKSA-N 1 2 333.388 1.836 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284780022 443788365 /nfs/dbraw/zinc/78/83/65/443788365.db2.gz INWCUVPKEGJIEY-WBVHZDCISA-N 1 2 347.390 1.775 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284780022 443788369 /nfs/dbraw/zinc/78/83/69/443788369.db2.gz INWCUVPKEGJIEY-WBVHZDCISA-N 1 2 347.390 1.775 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000291519065 443760229 /nfs/dbraw/zinc/76/02/29/443760229.db2.gz UXJACFFYQMXVRG-CYBMUJFWSA-N 1 2 327.363 1.574 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000276602357 443761949 /nfs/dbraw/zinc/76/19/49/443761949.db2.gz OJDAXAQVRUPZEV-UHFFFAOYSA-N 1 2 337.427 1.963 20 30 EDEDLO C[C@@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccccc1Cl ZINC000284028077 443761972 /nfs/dbraw/zinc/76/19/72/443761972.db2.gz IJWGMYDZZHIUFK-ZWNOBZJWSA-N 1 2 325.796 1.985 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000288008370 443764550 /nfs/dbraw/zinc/76/45/50/443764550.db2.gz BUEDYZCIDCOJAG-SFHVURJKSA-N 1 2 329.444 1.595 20 30 EDEDLO Cc1nsc(N2CC[NH+]([C@@H]3CCCN(C(C)C)C3=O)CC2)c1C#N ZINC000288026739 443765253 /nfs/dbraw/zinc/76/52/53/443765253.db2.gz AEKAKWFATNBANE-OAHLLOKOSA-N 1 2 347.488 1.845 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1OC ZINC000284286345 443771592 /nfs/dbraw/zinc/77/15/92/443771592.db2.gz ZBUDISIZRILUSC-HZPDHXFCSA-N 1 2 346.427 1.805 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1OC ZINC000284286345 443771597 /nfs/dbraw/zinc/77/15/97/443771597.db2.gz ZBUDISIZRILUSC-HZPDHXFCSA-N 1 2 346.427 1.805 20 30 EDEDLO C#CCNc1nc(N2CCC[C@@H]2CF)nc(N2CCC[C@H]2CF)[nH+]1 ZINC000292898656 443873342 /nfs/dbraw/zinc/87/33/42/443873342.db2.gz WNOZMHUVBDPIKK-BETUJISGSA-N 1 2 336.390 1.793 20 30 EDEDLO C#CCNc1nc(N2CCC[C@H]2CF)nc(N2CCC[C@@H]2CF)[nH+]1 ZINC000292898656 443873348 /nfs/dbraw/zinc/87/33/48/443873348.db2.gz WNOZMHUVBDPIKK-BETUJISGSA-N 1 2 336.390 1.793 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1ccc(C#N)cn1 ZINC000281438779 443912353 /nfs/dbraw/zinc/91/23/53/443912353.db2.gz JYEGWBWYZSBLJH-GJZGRUSLSA-N 1 2 328.395 1.736 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285264031 443918250 /nfs/dbraw/zinc/91/82/50/443918250.db2.gz DSULSQSZPFDIGY-SJLPKXTDSA-N 1 2 343.427 1.313 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285264031 443918256 /nfs/dbraw/zinc/91/82/56/443918256.db2.gz DSULSQSZPFDIGY-SJLPKXTDSA-N 1 2 343.427 1.313 20 30 EDEDLO CC(C)[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCCO1 ZINC000293264276 443966918 /nfs/dbraw/zinc/96/69/18/443966918.db2.gz UPFWZTVZVBSXCN-OAHLLOKOSA-N 1 2 337.445 1.474 20 30 EDEDLO CC(C)[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCCO1 ZINC000293264276 443966919 /nfs/dbraw/zinc/96/69/19/443966919.db2.gz UPFWZTVZVBSXCN-OAHLLOKOSA-N 1 2 337.445 1.474 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)Cc3ccccc3)CC2)C1=O ZINC000281923316 444040819 /nfs/dbraw/zinc/04/08/19/444040819.db2.gz HISXFECBANIWJQ-QGZVFWFLSA-N 1 2 327.428 1.160 20 30 EDEDLO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000281963435 444050796 /nfs/dbraw/zinc/05/07/96/444050796.db2.gz BBWYXCRGCBREND-VDZJLULYSA-N 1 2 345.443 1.857 20 30 EDEDLO COc1cccc([C@@H]2C[C@H](O)C[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000281963435 444050799 /nfs/dbraw/zinc/05/07/99/444050799.db2.gz BBWYXCRGCBREND-VDZJLULYSA-N 1 2 345.443 1.857 20 30 EDEDLO C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000281807370 444011112 /nfs/dbraw/zinc/01/11/12/444011112.db2.gz RALKNJGPIQAWNG-ZIAGYGMSSA-N 1 2 347.444 1.859 20 30 EDEDLO Cn1c(Cl)cnc1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000281819718 444014564 /nfs/dbraw/zinc/01/45/64/444014564.db2.gz WUCPEGCTSTYYLV-AWEZNQCLSA-N 1 2 343.818 1.836 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)Cc3ccccc3F)CC2)C1=O ZINC000282013290 444062749 /nfs/dbraw/zinc/06/27/49/444062749.db2.gz OOURBXKYLWDELW-QGZVFWFLSA-N 1 2 345.418 1.299 20 30 EDEDLO N#Cc1ccncc1N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000561432517 321041230 /nfs/dbraw/zinc/04/12/30/321041230.db2.gz LRLISFWRXNSYKC-AWEZNQCLSA-N 1 2 336.399 1.061 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000562853255 321079920 /nfs/dbraw/zinc/07/99/20/321079920.db2.gz YPQUCDFDKVSRLB-GWCFXTLKSA-N 1 2 346.456 1.598 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000562853255 321079921 /nfs/dbraw/zinc/07/99/21/321079921.db2.gz YPQUCDFDKVSRLB-GWCFXTLKSA-N 1 2 346.456 1.598 20 30 EDEDLO COc1cc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)ccn1 ZINC000564772950 321146698 /nfs/dbraw/zinc/14/66/98/321146698.db2.gz ZGTVGHCOLWRBNP-UHFFFAOYSA-N 1 2 340.383 1.004 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000294230976 444105872 /nfs/dbraw/zinc/10/58/72/444105872.db2.gz BPOJKHUBXLCWPL-INIZCTEOSA-N 1 2 330.428 1.768 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000294236093 444106763 /nfs/dbraw/zinc/10/67/63/444106763.db2.gz BOHXZYHOGUVPBK-OAHLLOKOSA-N 1 2 343.427 1.244 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000294400003 444115449 /nfs/dbraw/zinc/11/54/49/444115449.db2.gz JDKZIJYSCQOTTI-AEFFLSMTSA-N 1 2 330.428 1.523 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000289394685 444128957 /nfs/dbraw/zinc/12/89/57/444128957.db2.gz MIHBCFLRMNCHKS-QGZVFWFLSA-N 1 2 345.443 1.211 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000289394685 444128962 /nfs/dbraw/zinc/12/89/62/444128962.db2.gz MIHBCFLRMNCHKS-QGZVFWFLSA-N 1 2 345.443 1.211 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000294859595 444151574 /nfs/dbraw/zinc/15/15/74/444151574.db2.gz GETKSTMTJFIJAO-RRFJBIMHSA-N 1 2 336.457 1.664 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000294859595 444151576 /nfs/dbraw/zinc/15/15/76/444151576.db2.gz GETKSTMTJFIJAO-RRFJBIMHSA-N 1 2 336.457 1.664 20 30 EDEDLO CC(=O)c1ccc(C#N)cc1NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000302097975 444204228 /nfs/dbraw/zinc/20/42/28/444204228.db2.gz JZOPSJOPCJFUEI-UHFFFAOYSA-N 1 2 349.456 1.682 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000290202664 444254312 /nfs/dbraw/zinc/25/43/12/444254312.db2.gz HZSCKSSDQKADKO-LJQANCHMSA-N 1 2 325.456 1.449 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C(C)C)cn2)CC1 ZINC000290327449 444267731 /nfs/dbraw/zinc/26/77/31/444267731.db2.gz WGDSXXMTJVVIFE-UHFFFAOYSA-N 1 2 342.443 1.102 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C(C)C)cn2)CC1 ZINC000290327449 444267732 /nfs/dbraw/zinc/26/77/32/444267732.db2.gz WGDSXXMTJVVIFE-UHFFFAOYSA-N 1 2 342.443 1.102 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C(=O)N1CCCC[C@@H]1C ZINC000328764632 444345021 /nfs/dbraw/zinc/34/50/21/444345021.db2.gz GJZRYINKTZHNTH-KKUMJFAQSA-N 1 2 347.463 1.913 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000337675598 444345752 /nfs/dbraw/zinc/34/57/52/444345752.db2.gz LIOXBDAUWBHFLJ-QGZVFWFLSA-N 1 2 342.443 1.411 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000337675598 444345755 /nfs/dbraw/zinc/34/57/55/444345755.db2.gz LIOXBDAUWBHFLJ-QGZVFWFLSA-N 1 2 342.443 1.411 20 30 EDEDLO CN(C(=O)NCc1ccc[nH+]c1N1CCOCC1)C1CCOCC1 ZINC000328780087 444350560 /nfs/dbraw/zinc/35/05/60/444350560.db2.gz GYLCFVYAUWECKY-UHFFFAOYSA-N 1 2 334.420 1.443 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1C#N ZINC000324553113 444355767 /nfs/dbraw/zinc/35/57/67/444355767.db2.gz QDZSEGXFAURCTK-WFASDCNBSA-N 1 2 334.445 1.509 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc1C#N ZINC000324553113 444355770 /nfs/dbraw/zinc/35/57/70/444355770.db2.gz QDZSEGXFAURCTK-WFASDCNBSA-N 1 2 334.445 1.509 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000340185731 444367685 /nfs/dbraw/zinc/36/76/85/444367685.db2.gz OYDXJCDJCXTGCD-UHFFFAOYSA-N 1 2 325.409 1.052 20 30 EDEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000328839988 444370143 /nfs/dbraw/zinc/37/01/43/444370143.db2.gz YYPMCDLZWUVLLZ-KGLIPLIRSA-N 1 2 326.404 1.445 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCN(C(C)=O)C2)c1C ZINC000331041910 444371676 /nfs/dbraw/zinc/37/16/76/444371676.db2.gz QWHNIMQIUFVSLC-CQSZACIVSA-N 1 2 334.420 1.674 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340221624 444372093 /nfs/dbraw/zinc/37/20/93/444372093.db2.gz IWFOSHAYXBVSDL-TZMCWYRMSA-N 1 2 346.456 1.840 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340221624 444372095 /nfs/dbraw/zinc/37/20/95/444372095.db2.gz IWFOSHAYXBVSDL-TZMCWYRMSA-N 1 2 346.456 1.840 20 30 EDEDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000321452133 444336166 /nfs/dbraw/zinc/33/61/66/444336166.db2.gz YCFQHQZIOAOJLA-JSGCOSHPSA-N 1 2 337.420 1.945 20 30 EDEDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000321452133 444336168 /nfs/dbraw/zinc/33/61/68/444336168.db2.gz YCFQHQZIOAOJLA-JSGCOSHPSA-N 1 2 337.420 1.945 20 30 EDEDLO O=C(CN1CC[NH+](CCN2CCNC2=O)CC1)NC1CCCCC1 ZINC000328920665 444404090 /nfs/dbraw/zinc/40/40/90/444404090.db2.gz BXPXKFKZAMWXJT-UHFFFAOYSA-N 1 2 337.468 1.123 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(NC(=O)C(N)=O)c3)n2c1 ZINC000337798466 444412738 /nfs/dbraw/zinc/41/27/38/444412738.db2.gz FJPYIALZJPBJSO-UHFFFAOYSA-N 1 2 334.339 1.242 20 30 EDEDLO Cc1cc(C)cc(C(=O)NCC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000328904026 444396146 /nfs/dbraw/zinc/39/61/46/444396146.db2.gz ISRGOLUHYWQFHO-IRXDYDNUSA-N 1 2 345.443 1.540 20 30 EDEDLO Cc1cc(C)cc(C(=O)NCC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000328904026 444396148 /nfs/dbraw/zinc/39/61/48/444396148.db2.gz ISRGOLUHYWQFHO-IRXDYDNUSA-N 1 2 345.443 1.540 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC[C@@H]3CCCO3)CC[C@@H]21 ZINC000329028449 444450807 /nfs/dbraw/zinc/45/08/07/444450807.db2.gz OXKMRQLTVHYHHI-BARDWOONSA-N 1 2 338.452 1.591 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC[C@@H]3CCCO3)CC[C@@H]21 ZINC000329028449 444450809 /nfs/dbraw/zinc/45/08/09/444450809.db2.gz OXKMRQLTVHYHHI-BARDWOONSA-N 1 2 338.452 1.591 20 30 EDEDLO C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ncc(Br)cn1 ZINC000329114864 444475843 /nfs/dbraw/zinc/47/58/43/444475843.db2.gz MGVHBJDDKGQKMU-WCBMZHEXSA-N 1 2 329.198 1.587 20 30 EDEDLO C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ncc(Br)cn1 ZINC000329114864 444475846 /nfs/dbraw/zinc/47/58/46/444475846.db2.gz MGVHBJDDKGQKMU-WCBMZHEXSA-N 1 2 329.198 1.587 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000331479422 444473716 /nfs/dbraw/zinc/47/37/16/444473716.db2.gz NUPYJROBRQMWAK-PMPSAXMXSA-N 1 2 347.463 1.779 20 30 EDEDLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCCCO1 ZINC000328704241 444435636 /nfs/dbraw/zinc/43/56/36/444435636.db2.gz OSNNVPDEQHDOSJ-QGZVFWFLSA-N 1 2 333.432 1.871 20 30 EDEDLO Cc1cn2cc(NC(=O)N3CCC(N4CN=NC4=O)CC3)ccc2[nH+]1 ZINC000328992883 444436538 /nfs/dbraw/zinc/43/65/38/444436538.db2.gz DQGXNZCRDDRIFR-UHFFFAOYSA-N 1 2 341.375 1.822 20 30 EDEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc(C#N)cc2)cn1 ZINC000579636465 321955903 /nfs/dbraw/zinc/95/59/03/321955903.db2.gz MAWKRRNWYIXMLQ-UHFFFAOYSA-N 1 2 334.383 1.831 20 30 EDEDLO Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000328733722 444444398 /nfs/dbraw/zinc/44/43/98/444444398.db2.gz JSUVRLHKMXWDAA-ZFWWWQNUSA-N 1 2 333.436 1.118 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cc(Br)ccn3)C[C@H]21 ZINC000329137432 444481445 /nfs/dbraw/zinc/48/14/45/444481445.db2.gz RKRBFPBYXSUSRI-MNOVXSKESA-N 1 2 341.209 1.404 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cc(Br)ccn3)C[C@H]21 ZINC000329137432 444481447 /nfs/dbraw/zinc/48/14/47/444481447.db2.gz RKRBFPBYXSUSRI-MNOVXSKESA-N 1 2 341.209 1.404 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331884380 444490213 /nfs/dbraw/zinc/49/02/13/444490213.db2.gz MZSVPNXQTAOBSW-HNNXBMFYSA-N 1 2 344.463 1.258 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000329171492 444490794 /nfs/dbraw/zinc/49/07/94/444490794.db2.gz KCXVWKGLJLMUQN-XUWVNRHRSA-N 1 2 348.447 1.628 20 30 EDEDLO O=C(N[C@H]1COC[C@H]1n1ccnn1)C1CC[NH+](CC(F)F)CC1 ZINC000329180281 444493546 /nfs/dbraw/zinc/49/35/46/444493546.db2.gz MYXKUHLIZNIAMG-NWDGAFQWSA-N 1 2 329.351 1.152 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2ccc(C#N)cn2)CC1 ZINC000581080471 322133906 /nfs/dbraw/zinc/13/39/06/322133906.db2.gz UBWGYBWTEXIIRU-UHFFFAOYSA-N 1 2 344.415 1.187 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2ccc(C#N)cn2)CC1 ZINC000581080471 322133907 /nfs/dbraw/zinc/13/39/07/322133907.db2.gz UBWGYBWTEXIIRU-UHFFFAOYSA-N 1 2 344.415 1.187 20 30 EDEDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000581951526 322237618 /nfs/dbraw/zinc/23/76/18/322237618.db2.gz FFHCOJPLRRGHDK-QHCPKHFHSA-N 1 2 335.429 1.229 20 30 EDEDLO C[C@H]1CCN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C[C@@H](C)C1 ZINC000332310933 444509151 /nfs/dbraw/zinc/50/91/51/444509151.db2.gz MTSZTZSBTMMJPL-GJZGRUSLSA-N 1 2 334.464 1.327 20 30 EDEDLO C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000332305332 444509462 /nfs/dbraw/zinc/50/94/62/444509462.db2.gz WEOREKMBOURIRC-BZUAXINKSA-N 1 2 346.475 1.612 20 30 EDEDLO Cc1nn(C)cc1[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329236690 444509519 /nfs/dbraw/zinc/50/95/19/444509519.db2.gz OMPRVTXIOGNKTL-KCQAQPDRSA-N 1 2 335.452 1.499 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@@H](C2CC2)C1)C1CCOCC1 ZINC000329241356 444510519 /nfs/dbraw/zinc/51/05/19/444510519.db2.gz RPNFIYPAIPTTGU-HZPDHXFCSA-N 1 2 348.447 1.913 20 30 EDEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1c(F)cncc1F ZINC000329390414 444560077 /nfs/dbraw/zinc/56/00/77/444560077.db2.gz UWXNGZIPWQMQFY-XDTLVQLUSA-N 1 2 326.347 1.350 20 30 EDEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1c(F)cncc1F ZINC000329390414 444560080 /nfs/dbraw/zinc/56/00/80/444560080.db2.gz UWXNGZIPWQMQFY-XDTLVQLUSA-N 1 2 326.347 1.350 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCN4CCOC[C@H]4C3)C2=O)cc1 ZINC000329420734 444573118 /nfs/dbraw/zinc/57/31/18/444573118.db2.gz HJTMIQIGZUUXIZ-QZTJIDSGSA-N 1 2 340.427 1.070 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCN4CCOC[C@H]4C3)C2=O)cc1 ZINC000329420734 444573120 /nfs/dbraw/zinc/57/31/20/444573120.db2.gz HJTMIQIGZUUXIZ-QZTJIDSGSA-N 1 2 340.427 1.070 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329426716 444574808 /nfs/dbraw/zinc/57/48/08/444574808.db2.gz GENVZPMVALMARK-OAHLLOKOSA-N 1 2 337.464 1.845 20 30 EDEDLO CN(C)c1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)c[nH+]1 ZINC000340935833 444584279 /nfs/dbraw/zinc/58/42/79/444584279.db2.gz IOXNCPMPVDNSRJ-UHFFFAOYSA-N 1 2 339.399 1.897 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@@H]2CO)c1C ZINC000343720822 444544030 /nfs/dbraw/zinc/54/40/30/444544030.db2.gz BGIPEHFMKORKCS-INIZCTEOSA-N 1 2 347.484 1.960 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@@H]2CO)c1C ZINC000343720822 444544036 /nfs/dbraw/zinc/54/40/36/444544036.db2.gz BGIPEHFMKORKCS-INIZCTEOSA-N 1 2 347.484 1.960 20 30 EDEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C1(N2CCOCC2)CCC1 ZINC000329354977 444547061 /nfs/dbraw/zinc/54/70/61/444547061.db2.gz YTFIJOWPEYXSID-HNNXBMFYSA-N 1 2 330.432 1.872 20 30 EDEDLO Cn1ncc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1-c1ccccc1 ZINC000329458245 444588515 /nfs/dbraw/zinc/58/85/15/444588515.db2.gz QZTMVCFMKHHGGV-CVEARBPZSA-N 1 2 341.415 1.647 20 30 EDEDLO Cn1ncc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1-c1ccccc1 ZINC000329458245 444588520 /nfs/dbraw/zinc/58/85/20/444588520.db2.gz QZTMVCFMKHHGGV-CVEARBPZSA-N 1 2 341.415 1.647 20 30 EDEDLO CCC(CC)[C@@H]1C[C@@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CCO1 ZINC000329506569 444607515 /nfs/dbraw/zinc/60/75/15/444607515.db2.gz AOIQEICPGWFTMA-LUKYLMHMSA-N 1 2 339.480 1.899 20 30 EDEDLO CCC(CC)[C@@H]1C[C@@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CCO1 ZINC000329506569 444607519 /nfs/dbraw/zinc/60/75/19/444607519.db2.gz AOIQEICPGWFTMA-LUKYLMHMSA-N 1 2 339.480 1.899 20 30 EDEDLO C=CCCCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000342476350 444707371 /nfs/dbraw/zinc/70/73/71/444707371.db2.gz HGMWTTQWXOJTBM-MRXNPFEDSA-N 1 2 329.444 1.802 20 30 EDEDLO C=CCCCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000342476350 444707376 /nfs/dbraw/zinc/70/73/76/444707376.db2.gz HGMWTTQWXOJTBM-MRXNPFEDSA-N 1 2 329.444 1.802 20 30 EDEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000341207337 444729257 /nfs/dbraw/zinc/72/92/57/444729257.db2.gz OAJWQAWTMPZYFN-UHFFFAOYSA-N 1 2 346.431 1.048 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1C#N ZINC000329706879 444687170 /nfs/dbraw/zinc/68/71/70/444687170.db2.gz LDOYFQRVSSTROC-SNVBAGLBSA-N 1 2 332.429 1.761 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1C#N ZINC000329706879 444687175 /nfs/dbraw/zinc/68/71/75/444687175.db2.gz LDOYFQRVSSTROC-SNVBAGLBSA-N 1 2 332.429 1.761 20 30 EDEDLO C[C@]1(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCCOC1 ZINC000329715201 444689606 /nfs/dbraw/zinc/68/96/06/444689606.db2.gz UQTWAYKOFVPJKT-SFHVURJKSA-N 1 2 337.464 1.704 20 30 EDEDLO CN(CC1CC1)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329851851 444740060 /nfs/dbraw/zinc/74/00/60/444740060.db2.gz RCCQQDKETWGBPZ-UHFFFAOYSA-N 1 2 331.420 1.357 20 30 EDEDLO Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cnn1C ZINC000329877845 444749757 /nfs/dbraw/zinc/74/97/57/444749757.db2.gz JWFFTPFNLGDIOV-QRTARXTBSA-N 1 2 349.479 1.399 20 30 EDEDLO COCC1(C#N)CCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000341261014 444753540 /nfs/dbraw/zinc/75/35/40/444753540.db2.gz SJIRQEVMRHRXEY-UHFFFAOYSA-N 1 2 341.415 1.839 20 30 EDEDLO CC(C)C[N@@H+]1CC[C@H](C[NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329901398 444760454 /nfs/dbraw/zinc/76/04/54/444760454.db2.gz GWSOWYPPVUYFEF-HZPDHXFCSA-N 1 2 333.480 1.927 20 30 EDEDLO CC(C)C[N@H+]1CC[C@H](C[NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329901398 444760460 /nfs/dbraw/zinc/76/04/60/444760460.db2.gz GWSOWYPPVUYFEF-HZPDHXFCSA-N 1 2 333.480 1.927 20 30 EDEDLO CN1CCO[C@@H]2C[N@H+](CC(=O)NC(=O)NCc3cccs3)C[C@H]21 ZINC000329925465 444771320 /nfs/dbraw/zinc/77/13/20/444771320.db2.gz JVMFDXQGCUMOIB-CHWSQXEVSA-N 1 2 338.433 1.133 20 30 EDEDLO CN1CCO[C@@H]2C[N@@H+](CC(=O)NC(=O)NCc3cccs3)C[C@H]21 ZINC000329925465 444771323 /nfs/dbraw/zinc/77/13/23/444771323.db2.gz JVMFDXQGCUMOIB-CHWSQXEVSA-N 1 2 338.433 1.133 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)NC(=O)NCc3cccs3)C[C@H]21 ZINC000329925465 444771326 /nfs/dbraw/zinc/77/13/26/444771326.db2.gz JVMFDXQGCUMOIB-CHWSQXEVSA-N 1 2 338.433 1.133 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)NC(=O)NCc3cccs3)C[C@H]21 ZINC000329925465 444771331 /nfs/dbraw/zinc/77/13/31/444771331.db2.gz JVMFDXQGCUMOIB-CHWSQXEVSA-N 1 2 338.433 1.133 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)C[C@H]21 ZINC000329938177 444778019 /nfs/dbraw/zinc/77/80/19/444778019.db2.gz SKBYVKJYOBBMMC-GHMZBOCLSA-N 1 2 346.309 1.366 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)C[C@H]21 ZINC000329938177 444778024 /nfs/dbraw/zinc/77/80/24/444778024.db2.gz SKBYVKJYOBBMMC-GHMZBOCLSA-N 1 2 346.309 1.366 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341331744 444782003 /nfs/dbraw/zinc/78/20/03/444782003.db2.gz QBDMRFCGXVNAAS-KBPBESRZSA-N 1 2 334.420 1.009 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCCOC2CCCC2)CCN1C ZINC000329970160 444792871 /nfs/dbraw/zinc/79/28/71/444792871.db2.gz UVERAHJFQBUIJC-OAHLLOKOSA-N 1 2 335.452 1.582 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3csc(=O)[nH]3)c[nH+]2)CCO1 ZINC000329961118 444788372 /nfs/dbraw/zinc/78/83/72/444788372.db2.gz SACJMXAXNZITCM-SNVBAGLBSA-N 1 2 334.401 1.974 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cnc(-c4ccccc4)nc3)C[C@H]21 ZINC000329963162 444789940 /nfs/dbraw/zinc/78/99/40/444789940.db2.gz TVPSQFUQVPZEPQ-CVEARBPZSA-N 1 2 339.399 1.704 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cnc(-c4ccccc4)nc3)C[C@H]21 ZINC000329963162 444789943 /nfs/dbraw/zinc/78/99/43/444789943.db2.gz TVPSQFUQVPZEPQ-CVEARBPZSA-N 1 2 339.399 1.704 20 30 EDEDLO CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000330103706 444844813 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/nfs/dbraw/zinc/80/38/86/445803886.db2.gz OIKGTAGSBLRZJX-UHFFFAOYSA-N 1 2 337.387 1.057 20 30 EDEDLO C[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000356534942 445846643 /nfs/dbraw/zinc/84/66/43/445846643.db2.gz OFDVYNUWGCODPV-HNNXBMFYSA-N 1 2 331.416 1.254 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(C(=O)c2ccco2)CC1)C1CC1 ZINC000364549951 445931253 /nfs/dbraw/zinc/93/12/53/445931253.db2.gz KWTRSJDOIUJOJA-GOSISDBHSA-N 1 2 344.415 1.236 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCN(C(=O)c2ccco2)CC1)C1CC1 ZINC000364549951 445931259 /nfs/dbraw/zinc/93/12/59/445931259.db2.gz KWTRSJDOIUJOJA-GOSISDBHSA-N 1 2 344.415 1.236 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2Cc3ccccc3O2)n1 ZINC000364844363 445961691 /nfs/dbraw/zinc/96/16/91/445961691.db2.gz NJXISAFUICAIDB-SFHVURJKSA-N 1 2 325.412 1.968 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2Cc3ccccc3O2)n1 ZINC000364844363 445961694 /nfs/dbraw/zinc/96/16/94/445961694.db2.gz NJXISAFUICAIDB-SFHVURJKSA-N 1 2 325.412 1.968 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CC12CCC2 ZINC000373178128 446076733 /nfs/dbraw/zinc/07/67/33/446076733.db2.gz GIBIOJCHDKNPDU-AWEZNQCLSA-N 1 2 345.399 1.982 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CC12CCC2 ZINC000373178128 446076737 /nfs/dbraw/zinc/07/67/37/446076737.db2.gz GIBIOJCHDKNPDU-AWEZNQCLSA-N 1 2 345.399 1.982 20 30 EDEDLO C=CCOCC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000354297044 446091774 /nfs/dbraw/zinc/09/17/74/446091774.db2.gz QDGKSJYXOWZEAZ-KRWDZBQOSA-N 1 2 345.399 1.846 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCNC(=O)C[C@H]2C)c1 ZINC000369441908 446121491 /nfs/dbraw/zinc/12/14/91/446121491.db2.gz WPSHYMYUKOJUCB-MRXNPFEDSA-N 1 2 342.443 1.761 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCNC(=O)C[C@H]2C)c1 ZINC000369441908 446121500 /nfs/dbraw/zinc/12/15/00/446121500.db2.gz WPSHYMYUKOJUCB-MRXNPFEDSA-N 1 2 342.443 1.761 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)cc(N(C)C)c2)CCO1 ZINC000351602073 446198813 /nfs/dbraw/zinc/19/88/13/446198813.db2.gz KNTCPHOLKTZDTJ-QGZVFWFLSA-N 1 2 330.432 1.465 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cc(N(C)C)c2)CCO1 ZINC000351602073 446198820 /nfs/dbraw/zinc/19/88/20/446198820.db2.gz KNTCPHOLKTZDTJ-QGZVFWFLSA-N 1 2 330.432 1.465 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000354448704 446211893 /nfs/dbraw/zinc/21/18/93/446211893.db2.gz IHCHHKVSMUVBAR-GXTWGEPZSA-N 1 2 335.429 1.252 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000354448704 446211898 /nfs/dbraw/zinc/21/18/98/446211898.db2.gz IHCHHKVSMUVBAR-GXTWGEPZSA-N 1 2 335.429 1.252 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(S(=O)(=O)c1ccc(C#N)c(C)c1)C2 ZINC000365535740 446245410 /nfs/dbraw/zinc/24/54/10/446245410.db2.gz QTMLJQUNUWGTFV-UHFFFAOYSA-N 1 2 330.413 1.885 20 30 EDEDLO C[C@H]1CN(C(=O)[C@@]2(C#N)CCc3ccccc3C2)CC[N@@H+]1CCO ZINC000370444281 446281842 /nfs/dbraw/zinc/28/18/42/446281842.db2.gz JVUDLNZUAUXFLF-KXBFYZLASA-N 1 2 327.428 1.210 20 30 EDEDLO C[C@H]1CN(C(=O)[C@@]2(C#N)CCc3ccccc3C2)CC[N@H+]1CCO ZINC000370444281 446281845 /nfs/dbraw/zinc/28/18/45/446281845.db2.gz JVUDLNZUAUXFLF-KXBFYZLASA-N 1 2 327.428 1.210 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000374584158 446377862 /nfs/dbraw/zinc/37/78/62/446377862.db2.gz KAJDZEGHUFSMPY-ZIAGYGMSSA-N 1 2 337.449 1.119 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000453671082 446590328 /nfs/dbraw/zinc/59/03/28/446590328.db2.gz MDINONGRUARULU-HNNXBMFYSA-N 1 2 349.394 1.595 20 30 EDEDLO C#CCCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000367808127 446591970 /nfs/dbraw/zinc/59/19/70/446591970.db2.gz ZENOEWHPLYXCIF-INIZCTEOSA-N 1 2 347.440 1.851 20 30 EDEDLO Cc1ncccc1O[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000375456698 446812991 /nfs/dbraw/zinc/81/29/91/446812991.db2.gz HSEVSMNWVGFTJW-YJBOKZPZSA-N 1 2 328.416 1.652 20 30 EDEDLO Cc1ncccc1O[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000375456698 446813000 /nfs/dbraw/zinc/81/30/00/446813000.db2.gz HSEVSMNWVGFTJW-YJBOKZPZSA-N 1 2 328.416 1.652 20 30 EDEDLO CN(C)c1ncnc(Cl)c1C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000368476245 446886857 /nfs/dbraw/zinc/88/68/57/446886857.db2.gz BRGTZJYXOAHOCX-UHFFFAOYSA-N 1 2 346.826 1.496 20 30 EDEDLO C=CCC1(C(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)CCOCC1 ZINC000424791055 446939796 /nfs/dbraw/zinc/93/97/96/446939796.db2.gz LGKFXNGZUOBVDZ-HNNXBMFYSA-N 1 2 332.448 1.988 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C2CCC2)C2CCC2)CC1 ZINC000375681623 446973532 /nfs/dbraw/zinc/97/35/32/446973532.db2.gz XAKVOOLYGPDMCJ-UHFFFAOYSA-N 1 2 345.487 1.487 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C2CCC2)C2CCC2)CC1 ZINC000375681623 446973539 /nfs/dbraw/zinc/97/35/39/446973539.db2.gz XAKVOOLYGPDMCJ-UHFFFAOYSA-N 1 2 345.487 1.487 20 30 EDEDLO Cc1cc(NCc2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c[nH+]1 ZINC000425239396 447075641 /nfs/dbraw/zinc/07/56/41/447075641.db2.gz KMDBVHRALDCFCW-UHFFFAOYSA-N 1 2 342.424 1.836 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444716411 447128583 /nfs/dbraw/zinc/12/85/83/447128583.db2.gz FXHHZOBOWQUEIW-BNOWGMLFSA-N 1 2 335.370 1.676 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444716411 447128591 /nfs/dbraw/zinc/12/85/91/447128591.db2.gz FXHHZOBOWQUEIW-BNOWGMLFSA-N 1 2 335.370 1.676 20 30 EDEDLO COc1cc(C(C)=O)c(OC)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414140972 447276801 /nfs/dbraw/zinc/27/68/01/447276801.db2.gz HCVORWZAUKMPQD-CYBMUJFWSA-N 1 2 336.388 1.492 20 30 EDEDLO COc1cc(C(C)=O)c(OC)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414140972 447276810 /nfs/dbraw/zinc/27/68/10/447276810.db2.gz HCVORWZAUKMPQD-CYBMUJFWSA-N 1 2 336.388 1.492 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000396813848 447547516 /nfs/dbraw/zinc/54/75/16/447547516.db2.gz TVNROPHWEQUWMA-JSGCOSHPSA-N 1 2 325.206 1.496 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000396813848 447547520 /nfs/dbraw/zinc/54/75/20/447547520.db2.gz TVNROPHWEQUWMA-JSGCOSHPSA-N 1 2 325.206 1.496 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000450896746 447608242 /nfs/dbraw/zinc/60/82/42/447608242.db2.gz OHNAYWWBRCUVSF-GFCCVEGCSA-N 1 2 327.344 1.465 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000450896746 447608246 /nfs/dbraw/zinc/60/82/46/447608246.db2.gz OHNAYWWBRCUVSF-GFCCVEGCSA-N 1 2 327.344 1.465 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)cc1 ZINC000450896746 447608252 /nfs/dbraw/zinc/60/82/52/447608252.db2.gz OHNAYWWBRCUVSF-GFCCVEGCSA-N 1 2 327.344 1.465 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)cc1 ZINC000450896746 447608257 /nfs/dbraw/zinc/60/82/57/447608257.db2.gz OHNAYWWBRCUVSF-GFCCVEGCSA-N 1 2 327.344 1.465 20 30 EDEDLO Cc1cc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)ncc1C#N ZINC000457737316 447624039 /nfs/dbraw/zinc/62/40/39/447624039.db2.gz PZEMNOCGTOCKEP-INIZCTEOSA-N 1 2 328.416 1.445 20 30 EDEDLO Cc1cc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)ncc1C#N ZINC000457737316 447624045 /nfs/dbraw/zinc/62/40/45/447624045.db2.gz PZEMNOCGTOCKEP-INIZCTEOSA-N 1 2 328.416 1.445 20 30 EDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000450949233 447629817 /nfs/dbraw/zinc/62/98/17/447629817.db2.gz SAPLSRKJDOVOCX-XJIUQZFPSA-N 1 2 333.411 1.341 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000459432996 447664890 /nfs/dbraw/zinc/66/48/90/447664890.db2.gz AUNAPZVRNTUPGP-LLVKDONJSA-N 1 2 329.316 1.935 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000459432996 447664895 /nfs/dbraw/zinc/66/48/95/447664895.db2.gz AUNAPZVRNTUPGP-LLVKDONJSA-N 1 2 329.316 1.935 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C#N)CC1(C)C ZINC000427885068 447667360 /nfs/dbraw/zinc/66/73/60/447667360.db2.gz HWUAVOKFSZWOMS-DYVFJYSZSA-N 1 2 331.420 1.292 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C#N)CC1(C)C ZINC000427885068 447667366 /nfs/dbraw/zinc/66/73/66/447667366.db2.gz HWUAVOKFSZWOMS-DYVFJYSZSA-N 1 2 331.420 1.292 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)o1 ZINC000427999576 447672639 /nfs/dbraw/zinc/67/26/39/447672639.db2.gz ZSVSWBFESOPMHD-UHFFFAOYSA-N 1 2 325.368 1.988 20 30 EDEDLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428798484 447716862 /nfs/dbraw/zinc/71/68/62/447716862.db2.gz BDHMYJCRXRAORW-CYBMUJFWSA-N 1 2 327.392 1.348 20 30 EDEDLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428798484 447716865 /nfs/dbraw/zinc/71/68/65/447716865.db2.gz BDHMYJCRXRAORW-CYBMUJFWSA-N 1 2 327.392 1.348 20 30 EDEDLO CN(C)C(=O)COC1C[NH+](Cc2cccc(OCCCC#N)c2)C1 ZINC000459598350 447717940 /nfs/dbraw/zinc/71/79/40/447717940.db2.gz WJVGYJRUYHFDDF-UHFFFAOYSA-N 1 2 331.416 1.658 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)CC(C)(C)CC#N ZINC000451530662 447737683 /nfs/dbraw/zinc/73/76/83/447737683.db2.gz IHJMGWGOUOWPGZ-ZIAGYGMSSA-N 1 2 329.466 1.051 20 30 EDEDLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)NC1(C#N)CCC1)CCO2 ZINC000451646905 447743874 /nfs/dbraw/zinc/74/38/74/447743874.db2.gz KWYFGQCQJGJCQT-CYBMUJFWSA-N 1 2 329.400 1.841 20 30 EDEDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)NC1(C#N)CCC1)CCO2 ZINC000451646905 447743876 /nfs/dbraw/zinc/74/38/76/447743876.db2.gz KWYFGQCQJGJCQT-CYBMUJFWSA-N 1 2 329.400 1.841 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451999600 447799027 /nfs/dbraw/zinc/79/90/27/447799027.db2.gz UPTHBDPKGCKFOI-XJKSGUPXSA-N 1 2 343.431 1.621 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451999600 447799031 /nfs/dbraw/zinc/79/90/31/447799031.db2.gz UPTHBDPKGCKFOI-XJKSGUPXSA-N 1 2 343.431 1.621 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452001471 447799460 /nfs/dbraw/zinc/79/94/60/447799460.db2.gz WOEUMEKNQSAYRC-CPUCHLNUSA-N 1 2 337.468 1.165 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452001471 447799463 /nfs/dbraw/zinc/79/94/63/447799463.db2.gz WOEUMEKNQSAYRC-CPUCHLNUSA-N 1 2 337.468 1.165 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCN1C(=O)c1cnn(C)c1 ZINC000452037447 447807485 /nfs/dbraw/zinc/80/74/85/447807485.db2.gz BEEFYOPWPHFRIY-ZDUSSCGKSA-N 1 2 341.390 1.777 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCN1C(=O)c1cnn(C)c1 ZINC000452037447 447807489 /nfs/dbraw/zinc/80/74/89/447807489.db2.gz BEEFYOPWPHFRIY-ZDUSSCGKSA-N 1 2 341.390 1.777 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000530337068 447863747 /nfs/dbraw/zinc/86/37/47/447863747.db2.gz KAFZDOOAJNZYGH-CYBMUJFWSA-N 1 2 342.447 1.360 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCOC)Cc1scnc1C ZINC000489410591 447855216 /nfs/dbraw/zinc/85/52/16/447855216.db2.gz HXMGBHDONVSLBT-CYBMUJFWSA-N 1 2 338.477 1.908 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCOC)Cc1scnc1C ZINC000489410591 447855217 /nfs/dbraw/zinc/85/52/17/447855217.db2.gz HXMGBHDONVSLBT-CYBMUJFWSA-N 1 2 338.477 1.908 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000478919680 447821908 /nfs/dbraw/zinc/82/19/08/447821908.db2.gz AXTIHGSKASGFNK-QGZVFWFLSA-N 1 2 343.427 1.430 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(S(C)(=O)=O)ccc1CC ZINC000490900941 447907668 /nfs/dbraw/zinc/90/76/68/447907668.db2.gz YPDCYOQJZJEUIR-OAHLLOKOSA-N 1 2 349.452 1.907 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(S(C)(=O)=O)ccc1CC ZINC000490900941 447907669 /nfs/dbraw/zinc/90/76/69/447907669.db2.gz YPDCYOQJZJEUIR-OAHLLOKOSA-N 1 2 349.452 1.907 20 30 EDEDLO C#CC[NH+]1CCN(c2cc(C(C)(C)C)nc(C(=O)OCC)n2)CC1 ZINC000491221643 447964381 /nfs/dbraw/zinc/96/43/81/447964381.db2.gz YMFOUIUTOLKXTM-UHFFFAOYSA-N 1 2 330.432 1.706 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C(=C)Cl)CC1 ZINC000491071926 447919139 /nfs/dbraw/zinc/91/91/39/447919139.db2.gz OQXHHJDXPRWDSX-UHFFFAOYSA-N 1 2 325.840 1.049 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C(=C)Cl)CC1 ZINC000491071926 447919146 /nfs/dbraw/zinc/91/91/46/447919146.db2.gz OQXHHJDXPRWDSX-UHFFFAOYSA-N 1 2 325.840 1.049 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000554520105 448027478 /nfs/dbraw/zinc/02/74/78/448027478.db2.gz JCZBSCVEODOTTG-ZDUSSCGKSA-N 1 2 342.490 1.202 20 30 EDEDLO COc1cc(/C=C\C(=O)NC[C@H]2C[N@H+](C)CCO2)ccc1OCC#N ZINC000491435675 448027527 /nfs/dbraw/zinc/02/75/27/448027527.db2.gz LFYVRPIBVYDNSY-VOKGJARPSA-N 1 2 345.399 1.058 20 30 EDEDLO COc1cc(/C=C\C(=O)NC[C@H]2C[N@@H+](C)CCO2)ccc1OCC#N ZINC000491435675 448027531 /nfs/dbraw/zinc/02/75/31/448027531.db2.gz LFYVRPIBVYDNSY-VOKGJARPSA-N 1 2 345.399 1.058 20 30 EDEDLO C=CCn1cc(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)nn1 ZINC000576390825 448042970 /nfs/dbraw/zinc/04/29/70/448042970.db2.gz MJFKYNGFSVBIDC-LBPRGKRZSA-N 1 2 328.420 1.732 20 30 EDEDLO C=CCn1cc(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)nn1 ZINC000576390825 448042977 /nfs/dbraw/zinc/04/29/77/448042977.db2.gz MJFKYNGFSVBIDC-LBPRGKRZSA-N 1 2 328.420 1.732 20 30 EDEDLO N#C[C@@H]1N(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCC[C@]12CCCCO2 ZINC000570732530 448057254 /nfs/dbraw/zinc/05/72/54/448057254.db2.gz LYIVIUMKLPFLFR-UWWQBHOKSA-N 1 2 328.416 1.899 20 30 EDEDLO C#CCN(CC#CC)CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000491554787 448057302 /nfs/dbraw/zinc/05/73/02/448057302.db2.gz MCVRXKSDSOOGLB-UHFFFAOYSA-N 1 2 330.457 1.636 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c(C#N)c1C ZINC000496984313 448096859 /nfs/dbraw/zinc/09/68/59/448096859.db2.gz SQSCNTYJTMEBPK-ZDUSSCGKSA-N 1 2 346.387 1.481 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c(C#N)c1C ZINC000496984313 448096865 /nfs/dbraw/zinc/09/68/65/448096865.db2.gz SQSCNTYJTMEBPK-ZDUSSCGKSA-N 1 2 346.387 1.481 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000555164502 448065159 /nfs/dbraw/zinc/06/51/59/448065159.db2.gz JGTUNXNVQYMIJT-GFCCVEGCSA-N 1 2 339.399 1.605 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000555164502 448065168 /nfs/dbraw/zinc/06/51/68/448065168.db2.gz JGTUNXNVQYMIJT-GFCCVEGCSA-N 1 2 339.399 1.605 20 30 EDEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)C1 ZINC000531353417 448068291 /nfs/dbraw/zinc/06/82/91/448068291.db2.gz YNVRAPIYAJIAKJ-QWHCGFSZSA-N 1 2 343.305 1.597 20 30 EDEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)C1 ZINC000531353417 448068295 /nfs/dbraw/zinc/06/82/95/448068295.db2.gz YNVRAPIYAJIAKJ-QWHCGFSZSA-N 1 2 343.305 1.597 20 30 EDEDLO C[C@H]1Oc2ccccc2N(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)C1=O ZINC000571350573 448139394 /nfs/dbraw/zinc/13/93/94/448139394.db2.gz RLTJPVGKQOQZQG-FZKQIMNGSA-N 1 2 344.415 1.151 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H]2CCCc3ccccc32)C1=O ZINC000531949603 448175027 /nfs/dbraw/zinc/17/50/27/448175027.db2.gz CDTOVTKXDBZMNB-MSOLQXFVSA-N 1 2 341.455 1.899 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H]2CCCc3ccccc32)C1=O ZINC000531949603 448175033 /nfs/dbraw/zinc/17/50/33/448175033.db2.gz CDTOVTKXDBZMNB-MSOLQXFVSA-N 1 2 341.455 1.899 20 30 EDEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)n1 ZINC000514910074 448222321 /nfs/dbraw/zinc/22/23/21/448222321.db2.gz UFZIKZBGPDEBGY-UHFFFAOYSA-N 1 2 337.383 1.457 20 30 EDEDLO COc1ccc(OC)c(C[NH+]2CCN(c3cc(C#N)ncn3)CC2)c1 ZINC000527383821 448222872 /nfs/dbraw/zinc/22/28/72/448222872.db2.gz ZRONJWVKDKXKDL-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO COCC(COC)[NH+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000591087344 448257417 /nfs/dbraw/zinc/25/74/17/448257417.db2.gz JTYWMFACYGNTHK-GOSISDBHSA-N 1 2 335.448 1.266 20 30 EDEDLO COc1cn(-c2ccccc2)nc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000564870648 448343445 /nfs/dbraw/zinc/34/34/45/448343445.db2.gz BKUPQIFOJJZZLQ-KRWDZBQOSA-N 1 2 327.388 1.455 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000572350572 448353680 /nfs/dbraw/zinc/35/36/80/448353680.db2.gz SSYGDRMLELWKIH-SRABZTEZSA-N 1 2 345.443 1.903 20 30 EDEDLO CCc1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1-c1ccccc1 ZINC000564660228 448334459 /nfs/dbraw/zinc/33/44/59/448334459.db2.gz GUVSPYNOVYAYQR-QGZVFWFLSA-N 1 2 326.404 1.403 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000577757292 448379866 /nfs/dbraw/zinc/37/98/66/448379866.db2.gz SIVOJKJVNKFPBH-INIZCTEOSA-N 1 2 349.822 1.443 20 30 EDEDLO COc1c(N)[nH+]cnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000566485049 448488924 /nfs/dbraw/zinc/48/89/24/448488924.db2.gz XDXQRECCVLBWAS-UHFFFAOYSA-N 1 2 344.806 1.919 20 30 EDEDLO COc1c(N)nc[nH+]c1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000566485049 448488929 /nfs/dbraw/zinc/48/89/29/448488929.db2.gz XDXQRECCVLBWAS-UHFFFAOYSA-N 1 2 344.806 1.919 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000591817974 448497614 /nfs/dbraw/zinc/49/76/14/448497614.db2.gz BFFZJZIRSYDIFW-ZDUSSCGKSA-N 1 2 339.443 1.231 20 30 EDEDLO C=CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CCS(=O)(=O)C1 ZINC000537835731 448571902 /nfs/dbraw/zinc/57/19/02/448571902.db2.gz VYMHHEXOGLOHFD-AWEZNQCLSA-N 1 2 346.412 1.083 20 30 EDEDLO C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CO1 ZINC000584718062 448607634 /nfs/dbraw/zinc/60/76/34/448607634.db2.gz OFIXSYNZHCAISL-WMLDXEAASA-N 1 2 328.416 1.563 20 30 EDEDLO COc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1OC(F)F ZINC000518278787 448660345 /nfs/dbraw/zinc/66/03/45/448660345.db2.gz PMYCXONYOPSMSF-HNNXBMFYSA-N 1 2 327.331 1.870 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000592147529 448707997 /nfs/dbraw/zinc/70/79/97/448707997.db2.gz PUCOAYCUNNGJJF-KBXCAEBGSA-N 1 2 344.415 1.691 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000592147529 448708001 /nfs/dbraw/zinc/70/80/01/448708001.db2.gz PUCOAYCUNNGJJF-KBXCAEBGSA-N 1 2 344.415 1.691 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000592149502 448710961 /nfs/dbraw/zinc/71/09/61/448710961.db2.gz QEGWRDREISSPJJ-KRWDZBQOSA-N 1 2 344.440 1.305 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000592149502 448710965 /nfs/dbraw/zinc/71/09/65/448710965.db2.gz QEGWRDREISSPJJ-KRWDZBQOSA-N 1 2 344.440 1.305 20 30 EDEDLO CC1(C)C[S@](=O)CC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000585816614 448791186 /nfs/dbraw/zinc/79/11/86/448791186.db2.gz YBMADWDVXCABOO-NPMXOYFQSA-N 1 2 336.457 1.335 20 30 EDEDLO CC1(C)C[S@](=O)CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000585816614 448791188 /nfs/dbraw/zinc/79/11/88/448791188.db2.gz YBMADWDVXCABOO-NPMXOYFQSA-N 1 2 336.457 1.335 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc(Br)cc1 ZINC000579663312 448843856 /nfs/dbraw/zinc/84/38/56/448843856.db2.gz WHZNKHPSJWJBSZ-AWEZNQCLSA-N 1 2 340.221 1.788 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)[nH]1 ZINC000568347117 448857670 /nfs/dbraw/zinc/85/76/70/448857670.db2.gz VFFAYNPYNKEQQY-UHFFFAOYSA-N 1 2 325.372 1.390 20 30 EDEDLO CCN1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H]1c1ncc[nH]1 ZINC000579834449 448890940 /nfs/dbraw/zinc/89/09/40/448890940.db2.gz VPJHMHYLGKQXDJ-OAHLLOKOSA-N 1 2 336.403 1.203 20 30 EDEDLO CCN1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@H]1c1ncc[nH]1 ZINC000579834449 448890945 /nfs/dbraw/zinc/89/09/45/448890945.db2.gz VPJHMHYLGKQXDJ-OAHLLOKOSA-N 1 2 336.403 1.203 20 30 EDEDLO N#Cc1cnn2cc(C[N@@H+]3CCn4c(nnc4C4CCCC4)C3)cnc12 ZINC000574877450 448978418 /nfs/dbraw/zinc/97/84/18/448978418.db2.gz PACPINUKKCUCRW-UHFFFAOYSA-N 1 2 348.414 1.866 20 30 EDEDLO N#Cc1cnn2cc(C[N@H+]3CCn4c(nnc4C4CCCC4)C3)cnc12 ZINC000574877450 448978421 /nfs/dbraw/zinc/97/84/21/448978421.db2.gz PACPINUKKCUCRW-UHFFFAOYSA-N 1 2 348.414 1.866 20 30 EDEDLO N#Cc1cccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000589256440 448997933 /nfs/dbraw/zinc/99/79/33/448997933.db2.gz FCUXFCFDGLIWFZ-UHFFFAOYSA-N 1 2 336.395 1.790 20 30 EDEDLO N#CC[C@@]1(O)CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000592839819 449012322 /nfs/dbraw/zinc/01/23/22/449012322.db2.gz NAPIJFQNXGCHJM-GOSISDBHSA-N 1 2 329.400 1.009 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCC(=O)NC3)CC2)cc1 ZINC000569438955 449024761 /nfs/dbraw/zinc/02/47/61/449024761.db2.gz IJBVHRJCUXIEPH-KRWDZBQOSA-N 1 2 340.427 1.119 20 30 EDEDLO C[C@@H]1CN(c2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn2)C[C@@H](C)O1 ZINC000575127740 449042858 /nfs/dbraw/zinc/04/28/58/449042858.db2.gz PTKFNONPHDMFNF-HBUWYVDXSA-N 1 2 345.447 1.269 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000575144706 449048432 /nfs/dbraw/zinc/04/84/32/449048432.db2.gz KGHZXKNQSOLLCG-KURKYZTESA-N 1 2 343.427 1.749 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000575144706 449048438 /nfs/dbraw/zinc/04/84/38/449048438.db2.gz KGHZXKNQSOLLCG-KURKYZTESA-N 1 2 343.427 1.749 20 30 EDEDLO N#Cc1nc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)[nH]c1C#N ZINC000522203996 449062301 /nfs/dbraw/zinc/06/23/01/449062301.db2.gz NAUMBRJXBRGPQJ-ZDUSSCGKSA-N 1 2 335.371 1.399 20 30 EDEDLO N#Cc1nc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH]c1C#N ZINC000522203996 449062306 /nfs/dbraw/zinc/06/23/06/449062306.db2.gz NAUMBRJXBRGPQJ-ZDUSSCGKSA-N 1 2 335.371 1.399 20 30 EDEDLO C[C@@H](CO)C1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000593084586 449126724 /nfs/dbraw/zinc/12/67/24/449126724.db2.gz SIQNQLCUYOBVAD-AWEZNQCLSA-N 1 2 336.457 1.672 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2)nc1 ZINC000590047275 449101191 /nfs/dbraw/zinc/10/11/91/449101191.db2.gz YNEHFWWXGDROIT-HNNXBMFYSA-N 1 2 325.372 1.610 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000593155765 449154592 /nfs/dbraw/zinc/15/45/92/449154592.db2.gz AUZJSXDWGFQWPC-QGZVFWFLSA-N 1 2 327.388 1.228 20 30 EDEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1n[nH]c3cc(C#N)c(C)cc31)CC2 ZINC000600082404 449179023 /nfs/dbraw/zinc/17/90/23/449179023.db2.gz BHUVRISPSGGTBV-GFCCVEGCSA-N 1 2 334.383 2.449 20 30 EDEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000595837788 449200115 /nfs/dbraw/zinc/20/01/15/449200115.db2.gz MLRRXIIKAHQOPM-WMZOPIPTSA-N 1 2 331.391 1.961 20 30 EDEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000595837788 449200120 /nfs/dbraw/zinc/20/01/20/449200120.db2.gz MLRRXIIKAHQOPM-WMZOPIPTSA-N 1 2 331.391 1.961 20 30 EDEDLO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595842216 449202764 /nfs/dbraw/zinc/20/27/64/449202764.db2.gz YMFUQSISIXUZQU-UGSOOPFHSA-N 1 2 329.400 1.713 20 30 EDEDLO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595842216 449202771 /nfs/dbraw/zinc/20/27/71/449202771.db2.gz YMFUQSISIXUZQU-UGSOOPFHSA-N 1 2 329.400 1.713 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996620 449181414 /nfs/dbraw/zinc/18/14/14/449181414.db2.gz KIJZDVPQUGJJOE-ZNMIVQPWSA-N 1 2 331.416 1.551 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996620 449181419 /nfs/dbraw/zinc/18/14/19/449181419.db2.gz KIJZDVPQUGJJOE-ZNMIVQPWSA-N 1 2 331.416 1.551 20 30 EDEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)nc1 ZINC000601850725 449183318 /nfs/dbraw/zinc/18/33/18/449183318.db2.gz FJVAKFHXPDVFPQ-UHFFFAOYSA-N 1 2 339.424 1.831 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000611272952 449244876 /nfs/dbraw/zinc/24/48/76/449244876.db2.gz DUZOOTNSWGXDPT-OAHLLOKOSA-N 1 2 342.399 1.748 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601971840 449255447 /nfs/dbraw/zinc/25/54/47/449255447.db2.gz WRQWHZXUABYAGD-CZUORRHYSA-N 1 2 328.416 1.828 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601971840 449255451 /nfs/dbraw/zinc/25/54/51/449255451.db2.gz WRQWHZXUABYAGD-CZUORRHYSA-N 1 2 328.416 1.828 20 30 EDEDLO CN(C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602078553 449326024 /nfs/dbraw/zinc/32/60/24/449326024.db2.gz WMUHZISQYRJBTP-CZUORRHYSA-N 1 2 337.383 1.961 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000594009498 449321396 /nfs/dbraw/zinc/32/13/96/449321396.db2.gz WQUWHCUQMMVQNR-KRWDZBQOSA-N 1 2 342.443 1.821 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2cc(C#N)cnn2)CC1)C1CCCCC1 ZINC000596112171 449366948 /nfs/dbraw/zinc/36/69/48/449366948.db2.gz IKLCHXIERZEQIS-UHFFFAOYSA-N 1 2 342.447 1.261 20 30 EDEDLO Cc1cn2ccc(C(=O)N(CCC#N)CCN3CCOCC3)cc2[nH+]1 ZINC000602087335 449333405 /nfs/dbraw/zinc/33/34/05/449333405.db2.gz XAQYSHOIADGTQQ-UHFFFAOYSA-N 1 2 341.415 1.331 20 30 EDEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000611552233 449333942 /nfs/dbraw/zinc/33/39/42/449333942.db2.gz SSOFZZWPSMDPCE-KRWDZBQOSA-N 1 2 330.407 1.630 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1C#N ZINC000602169730 449400376 /nfs/dbraw/zinc/40/03/76/449400376.db2.gz GZJHZPGMBMRHIE-NWDGAFQWSA-N 1 2 334.445 1.839 20 30 EDEDLO COC(=O)Cc1cc[nH+]c(N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000596237493 449432130 /nfs/dbraw/zinc/43/21/30/449432130.db2.gz HZOQRSNPXRMMFO-HNNXBMFYSA-N 1 2 338.367 1.721 20 30 EDEDLO Cc1nc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c(C)o1 ZINC000600563936 449445427 /nfs/dbraw/zinc/44/54/27/449445427.db2.gz VZDHYSBGZQUFBJ-UHFFFAOYSA-N 1 2 328.372 1.205 20 30 EDEDLO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000614300448 449550547 /nfs/dbraw/zinc/55/05/47/449550547.db2.gz HOCIWEGDFFOKFE-CQSZACIVSA-N 1 2 330.432 1.267 20 30 EDEDLO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000614300448 449550551 /nfs/dbraw/zinc/55/05/51/449550551.db2.gz HOCIWEGDFFOKFE-CQSZACIVSA-N 1 2 330.432 1.267 20 30 EDEDLO COC(=O)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H]1CCC[C@H](OC)C1 ZINC000598621714 449498942 /nfs/dbraw/zinc/49/89/42/449498942.db2.gz BUBCVJQERCVQEK-APIJFGDWSA-N 1 2 326.437 1.624 20 30 EDEDLO N#CC1(C[C@H](O)C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)CC1 ZINC000600733521 449523629 /nfs/dbraw/zinc/52/36/29/449523629.db2.gz DMJVIVPQQWEKBZ-ZDUSSCGKSA-N 1 2 327.388 1.528 20 30 EDEDLO N#CC1(C[C@H](O)C[NH2+]Cc2nnc(COc3ccccc3)[nH]2)CC1 ZINC000600733521 449523636 /nfs/dbraw/zinc/52/36/36/449523636.db2.gz DMJVIVPQQWEKBZ-ZDUSSCGKSA-N 1 2 327.388 1.528 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)C(C)(C)CO ZINC000596614085 449572998 /nfs/dbraw/zinc/57/29/98/449572998.db2.gz QMINVZLJRKNHCZ-IHRRRGAJSA-N 1 2 333.436 1.861 20 30 EDEDLO C[C@@](O)(C[C@@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000600846109 449573010 /nfs/dbraw/zinc/57/30/10/449573010.db2.gz LWQFSKPWDBEWHC-WOJBJXKFSA-N 1 2 343.471 1.588 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)C(C)(C)CO ZINC000596614086 449573690 /nfs/dbraw/zinc/57/36/90/449573690.db2.gz QMINVZLJRKNHCZ-MELADBBJSA-N 1 2 333.436 1.861 20 30 EDEDLO N#C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCN1Cc1ccccc1 ZINC000614307768 449555474 /nfs/dbraw/zinc/55/54/74/449555474.db2.gz DKQXJKWWRXLNSP-ROUUACIJSA-N 1 2 349.438 1.682 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cn3cc(C4CC4)cn3)CC2)cc1 ZINC000596657355 449589348 /nfs/dbraw/zinc/58/93/48/449589348.db2.gz QZCQUKFGXVGZCJ-UHFFFAOYSA-N 1 2 349.438 1.977 20 30 EDEDLO Cc1nnc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000596657315 449589800 /nfs/dbraw/zinc/58/98/00/449589800.db2.gz PDBMZFKVCZDMEQ-UHFFFAOYSA-N 1 2 341.440 1.605 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602461275 449607983 /nfs/dbraw/zinc/60/79/83/449607983.db2.gz FLBGATVNFOTJKM-OAHLLOKOSA-N 1 2 341.459 1.518 20 30 EDEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602463421 449608972 /nfs/dbraw/zinc/60/89/72/449608972.db2.gz UXXOUSDZTRQDLC-SECBINFHSA-N 1 2 346.250 1.830 20 30 EDEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602463421 449608978 /nfs/dbraw/zinc/60/89/78/449608978.db2.gz UXXOUSDZTRQDLC-SECBINFHSA-N 1 2 346.250 1.830 20 30 EDEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000594661248 449615057 /nfs/dbraw/zinc/61/50/57/449615057.db2.gz XRZASHGUNRHROP-DOMZBBRYSA-N 1 2 342.355 1.852 20 30 EDEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000594661248 449615060 /nfs/dbraw/zinc/61/50/60/449615060.db2.gz XRZASHGUNRHROP-DOMZBBRYSA-N 1 2 342.355 1.852 20 30 EDEDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2cccc(C#N)n2)c1 ZINC000602471829 449618555 /nfs/dbraw/zinc/61/85/55/449618555.db2.gz JMSFYZAOVKWZBK-UHFFFAOYSA-N 1 2 327.384 1.965 20 30 EDEDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cccc(C#N)n2)c1 ZINC000602471829 449618560 /nfs/dbraw/zinc/61/85/60/449618560.db2.gz JMSFYZAOVKWZBK-UHFFFAOYSA-N 1 2 327.384 1.965 20 30 EDEDLO COc1cc(C)[nH+]c(Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)c1 ZINC000601092317 449685803 /nfs/dbraw/zinc/68/58/03/449685803.db2.gz JRFBMAKLXGAWAC-UHFFFAOYSA-N 1 2 326.356 1.285 20 30 EDEDLO N#Cc1cc(F)c(N2CC[NH+](CCc3cnccn3)CC2)c(F)c1 ZINC000601253506 449776630 /nfs/dbraw/zinc/77/66/30/449776630.db2.gz SEIOTDLHTNFHTP-UHFFFAOYSA-N 1 2 329.354 1.991 20 30 EDEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000601252176 449775890 /nfs/dbraw/zinc/77/58/90/449775890.db2.gz GTXIAGYJSFYINB-QEJZJMRPSA-N 1 2 326.404 1.870 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)N2CCc3ccccc3C2)C[C@@H](C)N1CC#N ZINC000602858662 449867854 /nfs/dbraw/zinc/86/78/54/449867854.db2.gz CNQORHCKNOAYNY-HZPDHXFCSA-N 1 2 326.444 1.489 20 30 EDEDLO CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863897 449873021 /nfs/dbraw/zinc/87/30/21/449873021.db2.gz PQMYQZHCXPKYJT-KBPBESRZSA-N 1 2 348.413 1.951 20 30 EDEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(C)c(C#N)c1 ZINC000599302411 449875494 /nfs/dbraw/zinc/87/54/94/449875494.db2.gz IJCRFFWDDAXQMN-UHFFFAOYSA-N 1 2 331.416 1.174 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CC#N ZINC000602866223 449876007 /nfs/dbraw/zinc/87/60/07/449876007.db2.gz VIKKGASVLLZBSW-KBPBESRZSA-N 1 2 345.403 1.476 20 30 EDEDLO C[N@@H+](Cc1nnc2ccccn21)C[C@@H](O)COc1ccccc1C#N ZINC000599306789 449878840 /nfs/dbraw/zinc/87/88/40/449878840.db2.gz KVPHMHKPLSKYPJ-OAHLLOKOSA-N 1 2 337.383 1.473 20 30 EDEDLO C[N@H+](Cc1nnc2ccccn21)C[C@@H](O)COc1ccccc1C#N ZINC000599306789 449878847 /nfs/dbraw/zinc/87/88/47/449878847.db2.gz KVPHMHKPLSKYPJ-OAHLLOKOSA-N 1 2 337.383 1.473 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000602876393 449884984 /nfs/dbraw/zinc/88/49/84/449884984.db2.gz YQEYOOGAGXHRHW-UHFFFAOYSA-N 1 2 325.359 1.312 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)CCOCC1 ZINC000599396347 449942357 /nfs/dbraw/zinc/94/23/57/449942357.db2.gz ICQHIPJLBOBWMD-CHWSQXEVSA-N 1 2 336.392 1.026 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)CCOCC1 ZINC000599396347 449942363 /nfs/dbraw/zinc/94/23/63/449942363.db2.gz ICQHIPJLBOBWMD-CHWSQXEVSA-N 1 2 336.392 1.026 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000601425088 449944373 /nfs/dbraw/zinc/94/43/73/449944373.db2.gz TXLJCVUANXMRGR-QGZVFWFLSA-N 1 2 349.456 1.185 20 30 EDEDLO COC[C@]1(C(=O)OC)CCCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000602916338 449919725 /nfs/dbraw/zinc/91/97/25/449919725.db2.gz OZFRMMAFRXYVMD-SFHVURJKSA-N 1 2 332.400 1.981 20 30 EDEDLO COC[C@]1(C(=O)OC)CCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000602916338 449919729 /nfs/dbraw/zinc/91/97/29/449919729.db2.gz OZFRMMAFRXYVMD-SFHVURJKSA-N 1 2 332.400 1.981 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000601451288 449975370 /nfs/dbraw/zinc/97/53/70/449975370.db2.gz YIOGEFFHCBKUOF-HNNXBMFYSA-N 1 2 348.472 1.425 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000601451288 449975378 /nfs/dbraw/zinc/97/53/78/449975378.db2.gz YIOGEFFHCBKUOF-HNNXBMFYSA-N 1 2 348.472 1.425 20 30 EDEDLO C[N@H+](CC(=O)NCCCN1CCCCCC1=O)[C@H]1CCC[C@@H]1C#N ZINC000602976356 449976447 /nfs/dbraw/zinc/97/64/47/449976447.db2.gz OLIMTKWZLOYPTC-CVEARBPZSA-N 1 2 334.464 1.519 20 30 EDEDLO C[N@@H+](CC(=O)NCCCN1CCCCCC1=O)[C@H]1CCC[C@@H]1C#N ZINC000602976356 449976451 /nfs/dbraw/zinc/97/64/51/449976451.db2.gz OLIMTKWZLOYPTC-CVEARBPZSA-N 1 2 334.464 1.519 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602978457 449978602 /nfs/dbraw/zinc/97/86/02/449978602.db2.gz QYAGXXPAZNYNJK-DOMZBBRYSA-N 1 2 330.388 1.967 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602978457 449978605 /nfs/dbraw/zinc/97/86/05/449978605.db2.gz QYAGXXPAZNYNJK-DOMZBBRYSA-N 1 2 330.388 1.967 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C1 ZINC000601496366 450015171 /nfs/dbraw/zinc/01/51/71/450015171.db2.gz OKRMCOAHHRIPED-CQSZACIVSA-N 1 2 325.416 1.593 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C1 ZINC000601496366 450015177 /nfs/dbraw/zinc/01/51/77/450015177.db2.gz OKRMCOAHHRIPED-CQSZACIVSA-N 1 2 325.416 1.593 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000609538169 450046223 /nfs/dbraw/zinc/04/62/23/450046223.db2.gz NDNQSMFPGWAWIS-XYJFISCASA-N 1 2 333.480 1.595 20 30 EDEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)ncc1C#N ZINC000603119792 450081276 /nfs/dbraw/zinc/08/12/76/450081276.db2.gz NXWNNDMQDOLCQY-UHFFFAOYSA-N 1 2 336.399 2.006 20 30 EDEDLO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000597606105 450141990 /nfs/dbraw/zinc/14/19/90/450141990.db2.gz UWLBQUFRXQJKNA-GFCCVEGCSA-N 1 2 334.445 1.937 20 30 EDEDLO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000597606105 450141996 /nfs/dbraw/zinc/14/19/96/450141996.db2.gz UWLBQUFRXQJKNA-GFCCVEGCSA-N 1 2 334.445 1.937 20 30 EDEDLO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000610162040 450150383 /nfs/dbraw/zinc/15/03/83/450150383.db2.gz FUNVNIMMRBNPSK-BRWVUGGUSA-N 1 2 343.427 1.337 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597709419 450212464 /nfs/dbraw/zinc/21/24/64/450212464.db2.gz JRAQMICFTISUKM-RDJZCZTQSA-N 1 2 343.427 1.649 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1=O ZINC000619621235 450285483 /nfs/dbraw/zinc/28/54/83/450285483.db2.gz XLRXCZMIXLGVKE-QZTJIDSGSA-N 1 2 342.418 1.795 20 30 EDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000619718502 450318133 /nfs/dbraw/zinc/31/81/33/450318133.db2.gz PFYPSBXPCMHNCI-NEPJUHHUSA-N 1 2 336.354 1.837 20 30 EDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000619718502 450318137 /nfs/dbraw/zinc/31/81/37/450318137.db2.gz PFYPSBXPCMHNCI-NEPJUHHUSA-N 1 2 336.354 1.837 20 30 EDEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000618892541 450327740 /nfs/dbraw/zinc/32/77/40/450327740.db2.gz BZKOUCVALXZHJQ-OAHLLOKOSA-N 1 2 330.351 1.951 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCC[C@H]3CCCC[C@H]32)nn1 ZINC000640864809 451649627 /nfs/dbraw/zinc/64/96/27/451649627.db2.gz VDTQRHZUUJPPHB-NVXWUHKLSA-N 1 2 329.448 1.572 20 30 EDEDLO C=CCCn1cc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)nn1 ZINC000653589570 452027567 /nfs/dbraw/zinc/02/75/67/452027567.db2.gz REDVITAFHZFJHV-UHFFFAOYSA-N 1 2 339.399 1.582 20 30 EDEDLO C=CCCn1cc(C[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)nn1 ZINC000653589570 452027570 /nfs/dbraw/zinc/02/75/70/452027570.db2.gz REDVITAFHZFJHV-UHFFFAOYSA-N 1 2 339.399 1.582 20 30 EDEDLO C=CCN(C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@@H](C)COC ZINC000658375784 452889669 /nfs/dbraw/zinc/88/96/69/452889669.db2.gz MKELHMCICZZVFP-ZDUSSCGKSA-N 1 2 330.388 1.631 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000658579397 453143639 /nfs/dbraw/zinc/14/36/39/453143639.db2.gz GAKBDIJRFCCLTP-CQSZACIVSA-N 1 2 330.432 1.930 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000658579397 453143646 /nfs/dbraw/zinc/14/36/46/453143646.db2.gz GAKBDIJRFCCLTP-CQSZACIVSA-N 1 2 330.432 1.930 20 30 EDEDLO C=CCCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000660477130 453335166 /nfs/dbraw/zinc/33/51/66/453335166.db2.gz LRGWLAWOVYRUDJ-UHFFFAOYSA-N 1 2 333.432 1.773 20 30 EDEDLO COCC#CC[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000677480238 487097567 /nfs/dbraw/zinc/09/75/67/487097567.db2.gz VUSNUAVGYKEEKE-HNNXBMFYSA-N 1 2 333.407 1.420 20 30 EDEDLO C=CCOCCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000679588883 487441316 /nfs/dbraw/zinc/44/13/16/487441316.db2.gz UAXQGPAWLRAEAM-UHFFFAOYSA-N 1 2 334.416 1.381 20 30 EDEDLO C=CCOCCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000679588883 487441317 /nfs/dbraw/zinc/44/13/17/487441317.db2.gz UAXQGPAWLRAEAM-UHFFFAOYSA-N 1 2 334.416 1.381 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000669020150 485568149 /nfs/dbraw/zinc/56/81/49/485568149.db2.gz RHIJWIAHBCZVFO-AWEZNQCLSA-N 1 2 326.400 1.765 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)nc1 ZINC000598649053 485649503 /nfs/dbraw/zinc/64/95/03/485649503.db2.gz WQCWDCQGZNSMPM-UHFFFAOYSA-N 1 2 339.374 1.513 20 30 EDEDLO O=C(NO)c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000671995812 485885065 /nfs/dbraw/zinc/88/50/65/485885065.db2.gz LIBHCRAWDDVYAB-UHFFFAOYSA-N 1 2 337.339 1.316 20 30 EDEDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610988888 485901344 /nfs/dbraw/zinc/90/13/44/485901344.db2.gz VLVDMTKVFOLSQZ-WMZOPIPTSA-N 1 2 346.427 1.908 20 30 EDEDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610988888 485901350 /nfs/dbraw/zinc/90/13/50/485901350.db2.gz VLVDMTKVFOLSQZ-WMZOPIPTSA-N 1 2 346.427 1.908 20 30 EDEDLO C=C(C)Cn1c(-c2cc[nH]n2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000669337743 485983213 /nfs/dbraw/zinc/98/32/13/485983213.db2.gz RQEUMMJMRZOOAI-UHFFFAOYSA-N 1 2 331.424 1.013 20 30 EDEDLO C#CC[NH+]1CCN(CN2C[C@@H](Cc3cccc(F)c3)OC2=O)CC1 ZINC000491565810 486587170 /nfs/dbraw/zinc/58/71/70/486587170.db2.gz CLDRFHGNWPCZQX-QGZVFWFLSA-N 1 2 331.391 1.397 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000078531713 534256749 /nfs/dbraw/zinc/25/67/49/534256749.db2.gz GQQKEJLRSJTAMS-UHFFFAOYSA-N 1 2 341.415 1.946 20 30 EDEDLO N#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000108856708 534674978 /nfs/dbraw/zinc/67/49/78/534674978.db2.gz QQXKTIKMFAJEES-UHFFFAOYSA-N 1 2 334.807 1.128 20 30 EDEDLO N#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000108856708 534674984 /nfs/dbraw/zinc/67/49/84/534674984.db2.gz QQXKTIKMFAJEES-UHFFFAOYSA-N 1 2 334.807 1.128 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000112904555 526992049 /nfs/dbraw/zinc/99/20/49/526992049.db2.gz DGMRMADTAYPLMS-QGZVFWFLSA-N 1 2 341.455 1.464 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000112904555 526992055 /nfs/dbraw/zinc/99/20/55/526992055.db2.gz DGMRMADTAYPLMS-QGZVFWFLSA-N 1 2 341.455 1.464 20 30 EDEDLO C=CCc1cc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc(OC)c1OC ZINC000178620186 527233710 /nfs/dbraw/zinc/23/37/10/527233710.db2.gz AWDLVGUHWXLVOD-INIZCTEOSA-N 1 2 345.443 1.162 20 30 EDEDLO C=CCn1nnn(CN2CC[NH+](Cc3c(C)noc3C)CC2)c1=S ZINC000742548251 579454521 /nfs/dbraw/zinc/45/45/21/579454521.db2.gz WJTGXABNCCPUNJ-UHFFFAOYSA-N 1 2 349.464 1.375 20 30 EDEDLO COCCC1N=NC(=S)N1[NH+]=Cc1ccc(N(C)CCO)cc1 ZINC000743447605 579480293 /nfs/dbraw/zinc/48/02/93/579480293.db2.gz WENBBLUWPXBJAH-UHFFFAOYSA-N 1 2 335.433 1.066 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)nc1 ZINC000728961838 578555024 /nfs/dbraw/zinc/55/50/24/578555024.db2.gz ABIOYMXYEUIRBH-UHFFFAOYSA-N 1 2 342.443 1.079 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)nc1 ZINC000728961838 578555025 /nfs/dbraw/zinc/55/50/25/578555025.db2.gz ABIOYMXYEUIRBH-UHFFFAOYSA-N 1 2 342.443 1.079 20 30 EDEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000729384670 578566803 /nfs/dbraw/zinc/56/68/03/578566803.db2.gz CEZANMRSPHSVHF-CYBMUJFWSA-N 1 2 342.399 1.701 20 30 EDEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000729384670 578566804 /nfs/dbraw/zinc/56/68/04/578566804.db2.gz CEZANMRSPHSVHF-CYBMUJFWSA-N 1 2 342.399 1.701 20 30 EDEDLO N#Cc1ccc(NCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)nc1 ZINC000729921402 578599839 /nfs/dbraw/zinc/59/98/39/578599839.db2.gz VEQNMZSMMOIICE-CQSZACIVSA-N 1 2 339.403 1.228 20 30 EDEDLO N#Cc1ccc(NCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)nc1 ZINC000729921402 578599840 /nfs/dbraw/zinc/59/98/40/578599840.db2.gz VEQNMZSMMOIICE-CQSZACIVSA-N 1 2 339.403 1.228 20 30 EDEDLO C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000730271622 578637974 /nfs/dbraw/zinc/63/79/74/578637974.db2.gz DVSRQKNAJFKCDM-OALUTQOASA-N 1 2 341.455 1.101 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000730271622 578637975 /nfs/dbraw/zinc/63/79/75/578637975.db2.gz DVSRQKNAJFKCDM-OALUTQOASA-N 1 2 341.455 1.101 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000730271622 578637977 /nfs/dbraw/zinc/63/79/77/578637977.db2.gz DVSRQKNAJFKCDM-OALUTQOASA-N 1 2 341.455 1.101 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000730271622 578637978 /nfs/dbraw/zinc/63/79/78/578637978.db2.gz DVSRQKNAJFKCDM-OALUTQOASA-N 1 2 341.455 1.101 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000730281671 578639074 /nfs/dbraw/zinc/63/90/74/578639074.db2.gz RAUUZDNTXQSMOC-KRWDZBQOSA-N 1 2 331.391 1.698 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000730281671 578639075 /nfs/dbraw/zinc/63/90/75/578639075.db2.gz RAUUZDNTXQSMOC-KRWDZBQOSA-N 1 2 331.391 1.698 20 30 EDEDLO N#CCCN(CCC#N)C(=O)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000731907963 578682718 /nfs/dbraw/zinc/68/27/18/578682718.db2.gz ODHUYTAEVLLDBP-UHFFFAOYSA-N 1 2 325.328 1.147 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732667265 578723355 /nfs/dbraw/zinc/72/33/55/578723355.db2.gz MXZFNHPUTCDLBE-RHSMWYFYSA-N 1 2 349.862 1.129 20 30 EDEDLO CC(=NNS(=O)(=O)C(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735613980 578904673 /nfs/dbraw/zinc/90/46/73/578904673.db2.gz OCZSTCVUNKQFKS-MRXNPFEDSA-N 1 2 339.461 1.591 20 30 EDEDLO CC(=NNS(=O)(=O)C(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735613980 578904675 /nfs/dbraw/zinc/90/46/75/578904675.db2.gz OCZSTCVUNKQFKS-MRXNPFEDSA-N 1 2 339.461 1.591 20 30 EDEDLO C[C@H](O)CC[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000744407688 579509836 /nfs/dbraw/zinc/50/98/36/579509836.db2.gz ZPGCPIWLFFFWGR-WCQYABFASA-N 1 2 328.372 1.214 20 30 EDEDLO C[C@H](O)CC[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000744407688 579509837 /nfs/dbraw/zinc/50/98/37/579509837.db2.gz ZPGCPIWLFFFWGR-WCQYABFASA-N 1 2 328.372 1.214 20 30 EDEDLO C=CCn1nnn(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1=S ZINC000777555429 580444427 /nfs/dbraw/zinc/44/44/27/580444427.db2.gz AVOVNXUVKXYDEA-MRXNPFEDSA-N 1 2 342.428 1.548 20 30 EDEDLO C=CCn1nnn(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1=S ZINC000777555429 580444428 /nfs/dbraw/zinc/44/44/28/580444428.db2.gz AVOVNXUVKXYDEA-MRXNPFEDSA-N 1 2 342.428 1.548 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C)cc2C(F)(F)F)CC1 ZINC000750457880 579764771 /nfs/dbraw/zinc/76/47/71/579764771.db2.gz RWEGVXWQCMQFDG-UHFFFAOYSA-N 1 2 343.353 1.228 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000751441653 579806949 /nfs/dbraw/zinc/80/69/49/579806949.db2.gz FSLBOYXZYUTPAG-PXAZEXFGSA-N 1 2 332.404 1.583 20 30 EDEDLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000751669713 579816661 /nfs/dbraw/zinc/81/66/61/579816661.db2.gz ZEIOUPUBEXOISF-QWHCGFSZSA-N 1 2 333.413 1.753 20 30 EDEDLO C[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000751669713 579816662 /nfs/dbraw/zinc/81/66/62/579816662.db2.gz ZEIOUPUBEXOISF-QWHCGFSZSA-N 1 2 333.413 1.753 20 30 EDEDLO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCC(=O)N(C)C(C)(C)C#N ZINC000754511247 579904817 /nfs/dbraw/zinc/90/48/17/579904817.db2.gz HTCDJESOOLGJBB-OAHLLOKOSA-N 1 2 339.436 1.083 20 30 EDEDLO CC(C)CN=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000755553089 579929501 /nfs/dbraw/zinc/92/95/01/579929501.db2.gz NFZJUMAKCUUGFZ-UHFFFAOYSA-N 1 2 325.438 1.071 20 30 EDEDLO Cn1ccnc(N=NCc2c(-n3cc[nH+]c3)nc3ccccn32)c1=O ZINC000755760634 579934243 /nfs/dbraw/zinc/93/42/43/579934243.db2.gz IFTJZQLIPHTCPB-UHFFFAOYSA-N 1 2 334.343 1.060 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000756032605 579942276 /nfs/dbraw/zinc/94/22/76/579942276.db2.gz GNACTISVRJJRPY-OAHLLOKOSA-N 1 2 339.395 1.376 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000756032605 579942277 /nfs/dbraw/zinc/94/22/77/579942277.db2.gz GNACTISVRJJRPY-OAHLLOKOSA-N 1 2 339.395 1.376 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c(C)[nH+]1 ZINC000756151185 579944496 /nfs/dbraw/zinc/94/44/96/579944496.db2.gz KRUCWIXKEBUVSD-UHFFFAOYSA-N 1 2 338.371 1.132 20 30 EDEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]NC1CCOCC1 ZINC000757590589 579968525 /nfs/dbraw/zinc/96/85/25/579968525.db2.gz NQORDKZNYNDWGY-UHFFFAOYSA-N 1 2 325.372 1.587 20 30 EDEDLO COC(=O)c1ccc(O)c(C=NNc2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000761858675 580062630 /nfs/dbraw/zinc/06/26/30/580062630.db2.gz WVFMJXQYJZYCBS-UHFFFAOYSA-N 1 2 338.327 1.601 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)c1ccc(OCCC)cc1 ZINC000762289470 580071463 /nfs/dbraw/zinc/07/14/63/580071463.db2.gz YUIYPYVROXTTDJ-KRWDZBQOSA-N 1 2 328.412 1.872 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)c1ccc(OCCC)cc1 ZINC000762289470 580071464 /nfs/dbraw/zinc/07/14/64/580071464.db2.gz YUIYPYVROXTTDJ-KRWDZBQOSA-N 1 2 328.412 1.872 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@@H](CCC(N)=O)C3)c1=O)CCC2 ZINC000766618786 580170392 /nfs/dbraw/zinc/17/03/92/580170392.db2.gz FTDNXYOIGPSUQP-ZDUSSCGKSA-N 1 2 328.416 1.144 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@@H](CCC(N)=O)C3)c1=O)CCC2 ZINC000766618786 580170393 /nfs/dbraw/zinc/17/03/93/580170393.db2.gz FTDNXYOIGPSUQP-ZDUSSCGKSA-N 1 2 328.416 1.144 20 30 EDEDLO C#C[C@H](NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCCO1 ZINC000773787692 580346174 /nfs/dbraw/zinc/34/61/74/580346174.db2.gz JEPHQRLMEOSRIM-HOTGVXAUSA-N 1 2 338.367 1.108 20 30 EDEDLO C#C[C@H](NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F)[C@H]1CCCO1 ZINC000776226325 580411964 /nfs/dbraw/zinc/41/19/64/580411964.db2.gz GRZZLFBQFUPYCF-NWDGAFQWSA-N 1 2 344.337 1.768 20 30 EDEDLO COc1cccc(N[NH+]=Cc2c(C)nn(C)c2N2CCOCC2)n1 ZINC000779817515 580498467 /nfs/dbraw/zinc/49/84/67/580498467.db2.gz QLGXUTJQLCIEBE-UHFFFAOYSA-N 1 2 330.392 1.415 20 30 EDEDLO CC1(C#N)CC[NH+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000779878457 580500679 /nfs/dbraw/zinc/50/06/79/580500679.db2.gz KNGZHHDRYJWJFO-HNNXBMFYSA-N 1 2 326.400 1.733 20 30 EDEDLO C#CCNC(=S)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000780213025 580516219 /nfs/dbraw/zinc/51/62/19/580516219.db2.gz WYADEWJJVVGSGN-UHFFFAOYSA-N 1 2 330.457 1.270 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000780690979 580531278 /nfs/dbraw/zinc/53/12/78/580531278.db2.gz VIAWKXLIPLVFEJ-BEFAXECRSA-N 1 2 347.459 1.411 20 30 EDEDLO C#CCOc1ccccc1C[NH2+]Cc1ncccc1S(C)(=O)=O ZINC000785570606 580647460 /nfs/dbraw/zinc/64/74/60/580647460.db2.gz BQQXBHRAIXYPNM-UHFFFAOYSA-N 1 2 330.409 1.787 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)c2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000790117579 580762472 /nfs/dbraw/zinc/76/24/72/580762472.db2.gz AKOBFLZFFIYRGA-UHFFFAOYSA-N 1 2 334.383 1.759 20 30 EDEDLO CCCCCCCCC[NH+]1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000792256496 580815360 /nfs/dbraw/zinc/81/53/60/580815360.db2.gz XJRSJHURYZOOPN-DLBZAZTESA-N 1 2 346.537 1.513 20 30 EDEDLO CC(=O)NC[C@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793490536 580845605 /nfs/dbraw/zinc/84/56/05/580845605.db2.gz KULAACNBBVPLJR-OAHLLOKOSA-N 1 2 342.443 1.404 20 30 EDEDLO CC(=O)NC[C@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793490536 580845606 /nfs/dbraw/zinc/84/56/06/580845606.db2.gz KULAACNBBVPLJR-OAHLLOKOSA-N 1 2 342.443 1.404 20 30 EDEDLO COC(=O)[C@]1(C)CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793503666 580846319 /nfs/dbraw/zinc/84/63/19/580846319.db2.gz JASYWOHPRXODND-GOSISDBHSA-N 1 2 329.400 1.441 20 30 EDEDLO COC(=O)[C@]1(C)CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793503666 580846320 /nfs/dbraw/zinc/84/63/20/580846320.db2.gz JASYWOHPRXODND-GOSISDBHSA-N 1 2 329.400 1.441 20 30 EDEDLO CC(=O)OC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793513037 580846629 /nfs/dbraw/zinc/84/66/29/580846629.db2.gz XHXFUPCKSRCUNJ-UHFFFAOYSA-N 1 2 329.400 1.584 20 30 EDEDLO CCOC(=O)c1cnn(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000793589905 580848435 /nfs/dbraw/zinc/84/84/35/580848435.db2.gz IPVYBEAZFIEHNY-OAHLLOKOSA-N 1 2 341.371 1.437 20 30 EDEDLO CCOC(=O)c1cnn(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000793589905 580848436 /nfs/dbraw/zinc/84/84/36/580848436.db2.gz IPVYBEAZFIEHNY-OAHLLOKOSA-N 1 2 341.371 1.437 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000794094597 580873389 /nfs/dbraw/zinc/87/33/89/580873389.db2.gz RCWBUMHXRQSLRI-AWEZNQCLSA-N 1 2 331.347 1.818 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000794094597 580873390 /nfs/dbraw/zinc/87/33/90/580873390.db2.gz RCWBUMHXRQSLRI-AWEZNQCLSA-N 1 2 331.347 1.818 20 30 EDEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794634446 580900994 /nfs/dbraw/zinc/90/09/94/580900994.db2.gz QCIXQTGWFPSGQR-CYBMUJFWSA-N 1 2 331.449 1.854 20 30 EDEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000794634446 580900995 /nfs/dbraw/zinc/90/09/95/580900995.db2.gz QCIXQTGWFPSGQR-CYBMUJFWSA-N 1 2 331.449 1.854 20 30 EDEDLO CCOC1CC(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000795205226 580915618 /nfs/dbraw/zinc/91/56/18/580915618.db2.gz PDPMSRVBERBVTN-UHFFFAOYSA-N 1 2 347.459 1.971 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)OC[C@@H](C)C#N)[C@@H]1c1c[nH+]cn1C ZINC000796779164 580961749 /nfs/dbraw/zinc/96/17/49/580961749.db2.gz YNONXHHNSAWSDO-WOSRLPQWSA-N 1 2 332.404 1.813 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@](C)(c3ccccc3)CC2=O)C1=O ZINC000799144447 581018793 /nfs/dbraw/zinc/01/87/93/581018793.db2.gz YYMXMRSKKAPZOE-YLJYHZDGSA-N 1 2 341.455 1.853 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@](C)(c3ccccc3)CC2=O)C1=O ZINC000799144447 581018794 /nfs/dbraw/zinc/01/87/94/581018794.db2.gz YYMXMRSKKAPZOE-YLJYHZDGSA-N 1 2 341.455 1.853 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000801912114 581087741 /nfs/dbraw/zinc/08/77/41/581087741.db2.gz HQDTYOQWTDAGDZ-ZACQAIPSSA-N 1 2 336.480 1.037 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000801943690 581088735 /nfs/dbraw/zinc/08/87/35/581088735.db2.gz DSSMBAABSYNLDT-SECBINFHSA-N 1 2 335.355 1.608 20 30 EDEDLO COc1ccc(C(=O)C2CC[NH+](CC(=O)NCCC#N)CC2)cc1 ZINC000014327438 590744751 /nfs/dbraw/zinc/74/47/51/590744751.db2.gz XBTKNFVVOYBSLI-UHFFFAOYSA-N 1 2 329.400 1.620 20 30 EDEDLO Nc1ccc(CN=Nc2nc(Br)cn3ccnc23)c[nH+]1 ZINC000807975653 590978113 /nfs/dbraw/zinc/97/81/13/590978113.db2.gz WSGOKZSSKTYVNS-UHFFFAOYSA-N 1 2 332.165 1.915 20 30 EDEDLO Cn1nc2c(c1C[NH+]1CCN(c3ccc(C#N)cn3)CC1)COCC2 ZINC000891580796 591135812 /nfs/dbraw/zinc/13/58/12/591135812.db2.gz NJAQUPLHRXGGBX-UHFFFAOYSA-N 1 2 338.415 1.082 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)C1 ZINC000891607750 591145948 /nfs/dbraw/zinc/14/59/48/591145948.db2.gz UTVWYKHFKBUFJM-INIZCTEOSA-N 1 2 341.411 1.164 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)C1 ZINC000891607750 591145952 /nfs/dbraw/zinc/14/59/52/591145952.db2.gz UTVWYKHFKBUFJM-INIZCTEOSA-N 1 2 341.411 1.164 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3c2CCCC3)C1 ZINC000891608510 591148463 /nfs/dbraw/zinc/14/84/63/591148463.db2.gz YKYHHOGJMLITKR-MRXNPFEDSA-N 1 2 339.439 1.718 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3c2CCCC3)C1 ZINC000891608510 591148467 /nfs/dbraw/zinc/14/84/67/591148467.db2.gz YKYHHOGJMLITKR-MRXNPFEDSA-N 1 2 339.439 1.718 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)c1 ZINC000891704544 591192915 /nfs/dbraw/zinc/19/29/15/591192915.db2.gz CCLUHRPQLLWEDX-MRXNPFEDSA-N 1 2 341.459 1.785 20 30 EDEDLO CNc1cc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)nc[nH+]1 ZINC000891771419 591219130 /nfs/dbraw/zinc/21/91/30/591219130.db2.gz YEUUJWMKFBRKIF-UHFFFAOYSA-N 1 2 325.376 1.582 20 30 EDEDLO CNc1cc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)[nH+]cn1 ZINC000891771419 591219133 /nfs/dbraw/zinc/21/91/33/591219133.db2.gz YEUUJWMKFBRKIF-UHFFFAOYSA-N 1 2 325.376 1.582 20 30 EDEDLO C[C@@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896531292 591486989 /nfs/dbraw/zinc/48/69/89/591486989.db2.gz PDLWOBVNOPRCCM-PBHICJAKSA-N 1 2 328.460 1.586 20 30 EDEDLO C[C@@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896531292 591486992 /nfs/dbraw/zinc/48/69/92/591486992.db2.gz PDLWOBVNOPRCCM-PBHICJAKSA-N 1 2 328.460 1.586 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(C(=O)c2[nH]c3ccccc3c2C#N)CC1 ZINC000896601191 591548785 /nfs/dbraw/zinc/54/87/85/591548785.db2.gz GNRAXWYTIDEABV-DEOSSOPVSA-N 1 2 344.440 1.176 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccn2ccccc12 ZINC000896625144 591552953 /nfs/dbraw/zinc/55/29/53/591552953.db2.gz UYEMOOKJGVEKHI-UHFFFAOYSA-N 1 2 326.400 1.627 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899064098 591668039 /nfs/dbraw/zinc/66/80/39/591668039.db2.gz RAQXCZKIKCJOGV-OAHLLOKOSA-N 1 2 343.427 1.302 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899064098 591668040 /nfs/dbraw/zinc/66/80/40/591668040.db2.gz RAQXCZKIKCJOGV-OAHLLOKOSA-N 1 2 343.427 1.302 20 30 EDEDLO COC(=O)[C@H]1[C@H](C[NH+]2CCN(c3ccsc3C#N)CC2)C1(F)F ZINC000895235880 591671749 /nfs/dbraw/zinc/67/17/49/591671749.db2.gz NKDPFXHGQWWGGU-GXFFZTMASA-N 1 2 341.383 1.796 20 30 EDEDLO COc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000022183490 591878200 /nfs/dbraw/zinc/87/82/00/591878200.db2.gz BVYYHUMAGYAYFB-UHFFFAOYSA-N 1 2 331.347 1.788 20 30 EDEDLO CS[C@@H]1CCCC(=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000901130265 592235548 /nfs/dbraw/zinc/23/55/48/592235548.db2.gz QCYGNIVYIINNCE-CYBMUJFWSA-N 1 2 330.523 1.444 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000906784319 592333318 /nfs/dbraw/zinc/33/33/18/592333318.db2.gz YKEGGCKPUCJRIO-XMMPIXPASA-N 1 2 347.484 1.240 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901323224 592341553 /nfs/dbraw/zinc/34/15/53/592341553.db2.gz QBLLSXKMIUXLPP-OAHLLOKOSA-N 1 2 328.416 1.910 20 30 EDEDLO C[C@@H]1CN(C(=O)[C@]2(C#N)CC3CCC2CC3)C[C@H]1[NH+]1CCOCC1 ZINC000906845664 592368607 /nfs/dbraw/zinc/36/86/07/592368607.db2.gz XUHUVFRZHMGPSU-RSXWSZKTSA-N 1 2 331.460 1.886 20 30 EDEDLO N#CC1(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)CC[NH+](Cc2ccccc2)CC1 ZINC000907241009 592563747 /nfs/dbraw/zinc/56/37/47/592563747.db2.gz VZFQGWZLSBMOLB-KBAYOESNSA-N 1 2 337.423 1.886 20 30 EDEDLO C=CC[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)C(=O)OC ZINC000905748874 592628839 /nfs/dbraw/zinc/62/88/39/592628839.db2.gz BBYICYVAOXHVBM-KRWDZBQOSA-N 1 2 345.443 1.797 20 30 EDEDLO N#C[C@]1(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CCCOC1 ZINC000910776555 592893407 /nfs/dbraw/zinc/89/34/07/592893407.db2.gz CLEAKQFTRRWOME-GOSISDBHSA-N 1 2 325.412 1.794 20 30 EDEDLO N#C[C@]1(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)CCCOC1 ZINC000910776555 592893408 /nfs/dbraw/zinc/89/34/08/592893408.db2.gz CLEAKQFTRRWOME-GOSISDBHSA-N 1 2 325.412 1.794 20 30 EDEDLO C#CCCCNC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000806916098 593127685 /nfs/dbraw/zinc/12/76/85/593127685.db2.gz SCSDPKBQNRVMKS-UHFFFAOYSA-N 1 2 330.432 1.432 20 30 EDEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000807280117 593159246 /nfs/dbraw/zinc/15/92/46/593159246.db2.gz COYXBUZSCOMYBI-CYBMUJFWSA-N 1 2 332.747 1.380 20 30 EDEDLO Cn1c(CC#N)nn(C[N@@H+]2CCSC3(CCOCC3)C2)c1=S ZINC000794642491 593184819 /nfs/dbraw/zinc/18/48/19/593184819.db2.gz LKJPBXLTEGQOKY-UHFFFAOYSA-N 1 2 339.490 1.573 20 30 EDEDLO Cn1c(CC#N)nn(C[N@H+]2CCSC3(CCOCC3)C2)c1=S ZINC000794642491 593184821 /nfs/dbraw/zinc/18/48/21/593184821.db2.gz LKJPBXLTEGQOKY-UHFFFAOYSA-N 1 2 339.490 1.573 20 30 EDEDLO C=CCN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C(C)C ZINC000806088259 593192257 /nfs/dbraw/zinc/19/22/57/593192257.db2.gz PTPQEXZOWPXGFZ-HZPDHXFCSA-N 1 2 337.464 1.169 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](CN3C[C@H]4CCC[C@H]4C3=O)CC2)c1 ZINC000839956482 593228528 /nfs/dbraw/zinc/22/85/28/593228528.db2.gz BWYBFSIDRDASJE-HZPDHXFCSA-N 1 2 325.416 1.291 20 30 EDEDLO COC(=O)c1cn(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)nn1 ZINC000103265689 593240081 /nfs/dbraw/zinc/24/00/81/593240081.db2.gz NTNHGCDEGZYGQO-UHFFFAOYSA-N 1 2 340.387 1.106 20 30 EDEDLO COC(=O)c1cn(C[N@H+]2CCCN(c3ccccc3C#N)CC2)nn1 ZINC000103265689 593240082 /nfs/dbraw/zinc/24/00/82/593240082.db2.gz NTNHGCDEGZYGQO-UHFFFAOYSA-N 1 2 340.387 1.106 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000810031632 593375935 /nfs/dbraw/zinc/37/59/35/593375935.db2.gz RYOMJVOPUALFBH-AEFFLSMTSA-N 1 2 329.400 1.961 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3cnccc3C#N)CC2)S1 ZINC000805192362 593407588 /nfs/dbraw/zinc/40/75/88/593407588.db2.gz LPYLADFSAHBKFW-UHFFFAOYSA-N 1 2 329.429 1.592 20 30 EDEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)C1 ZINC000810536340 593410500 /nfs/dbraw/zinc/41/05/00/593410500.db2.gz QGXYWLGALBDOSK-SJCJKPOMSA-N 1 2 332.379 1.941 20 30 EDEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)C1 ZINC000810536340 593410502 /nfs/dbraw/zinc/41/05/02/593410502.db2.gz QGXYWLGALBDOSK-SJCJKPOMSA-N 1 2 332.379 1.941 20 30 EDEDLO C=CCN1CCN(C[N@H+]2CCCN(c3ncccc3F)CC2)C1=O ZINC000840056449 593431776 /nfs/dbraw/zinc/43/17/76/593431776.db2.gz ZMOBTIILUDLXQN-UHFFFAOYSA-N 1 2 333.411 1.614 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2CCCN(c3ncccc3F)CC2)C1=O ZINC000840056449 593431779 /nfs/dbraw/zinc/43/17/79/593431779.db2.gz ZMOBTIILUDLXQN-UHFFFAOYSA-N 1 2 333.411 1.614 20 30 EDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000805470750 593455939 /nfs/dbraw/zinc/45/59/39/593455939.db2.gz WMZNQUDDTDJATC-AWEZNQCLSA-N 1 2 342.355 1.372 20 30 EDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000805470750 593455940 /nfs/dbraw/zinc/45/59/40/593455940.db2.gz WMZNQUDDTDJATC-AWEZNQCLSA-N 1 2 342.355 1.372 20 30 EDEDLO C#C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000820476641 593822049 /nfs/dbraw/zinc/82/20/49/593822049.db2.gz FLYPKYSTDRRQIQ-WMLDXEAASA-N 1 2 333.407 1.862 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](CCOCCOC)CC1)c1ccccc1 ZINC000820584243 593837878 /nfs/dbraw/zinc/83/78/78/593837878.db2.gz OICJWCXUYVDPCO-SFHVURJKSA-N 1 2 345.443 1.351 20 30 EDEDLO COc1cc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)ccc1C#N ZINC000825298021 594163107 /nfs/dbraw/zinc/16/31/07/594163107.db2.gz SONCUZPEOPRGHG-UHFFFAOYSA-N 1 2 343.387 1.677 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(F)cc(C)cc2F)CC1 ZINC000826550975 594523113 /nfs/dbraw/zinc/52/31/13/594523113.db2.gz XXCPEVOYLZASPR-UHFFFAOYSA-N 1 2 349.381 1.171 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(F)cc(C)cc2F)CC1 ZINC000826550975 594523115 /nfs/dbraw/zinc/52/31/15/594523115.db2.gz XXCPEVOYLZASPR-UHFFFAOYSA-N 1 2 349.381 1.171 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000831687157 594692596 /nfs/dbraw/zinc/69/25/96/594692596.db2.gz JREKGFURVHAJDA-HOTGVXAUSA-N 1 2 347.459 1.946 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000831687826 594692732 /nfs/dbraw/zinc/69/27/32/594692732.db2.gz WUMUVRQLSRVFLI-UHFFFAOYSA-N 1 2 335.448 1.802 20 30 EDEDLO C[N@@H+](CC(=O)NCCC#N)C[C@@H](O)c1ccccc1Br ZINC000832672206 594768114 /nfs/dbraw/zinc/76/81/14/594768114.db2.gz IZIABNXLJFOGJH-CYBMUJFWSA-N 1 2 340.221 1.444 20 30 EDEDLO C[N@H+](CC(=O)NCCC#N)C[C@@H](O)c1ccccc1Br ZINC000832672206 594768115 /nfs/dbraw/zinc/76/81/15/594768115.db2.gz IZIABNXLJFOGJH-CYBMUJFWSA-N 1 2 340.221 1.444 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000840702604 594811491 /nfs/dbraw/zinc/81/14/91/594811491.db2.gz CFZGVKJACMWODP-ZBFHGGJFSA-N 1 2 338.411 1.990 20 30 EDEDLO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)N=S(C)(C)=O)C(C)C ZINC000867145755 594883885 /nfs/dbraw/zinc/88/38/85/594883885.db2.gz GZNYOPSJFMWCAJ-ZDUSSCGKSA-N 1 2 337.511 1.247 20 30 EDEDLO CCn1c(=O)c2ccccc2nc1N=NCC(C)(C)[NH+]1CCOCC1 ZINC000841616467 594929087 /nfs/dbraw/zinc/92/90/87/594929087.db2.gz LCBIRXGUCQVJSC-UHFFFAOYSA-N 1 2 343.431 1.925 20 30 EDEDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(C#N)c(Cl)n2)CC1 ZINC000837133030 595040568 /nfs/dbraw/zinc/04/05/68/595040568.db2.gz NBDVVNJAZDKNSH-UHFFFAOYSA-N 1 2 349.866 1.753 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000843246696 595049919 /nfs/dbraw/zinc/04/99/19/595049919.db2.gz VENBLKPPCDTJFW-GJZGRUSLSA-N 1 2 328.416 1.725 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)c1ncc(CC(=O)OCC)s1 ZINC000837187219 595052462 /nfs/dbraw/zinc/05/24/62/595052462.db2.gz DHESGGSKQGMJKA-ZDUSSCGKSA-N 1 2 335.429 1.309 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)c1ncc(CC(=O)OCC)s1 ZINC000837187219 595052464 /nfs/dbraw/zinc/05/24/64/595052464.db2.gz DHESGGSKQGMJKA-ZDUSSCGKSA-N 1 2 335.429 1.309 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000843255334 595053391 /nfs/dbraw/zinc/05/33/91/595053391.db2.gz ZOWLVILGGXFCMK-GVDBMIGSSA-N 1 2 342.443 1.555 20 30 EDEDLO CCN1C[C@@H](C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)OC1=O ZINC000846819032 595320744 /nfs/dbraw/zinc/32/07/44/595320744.db2.gz ZJJKVUPCOICWOF-CYBMUJFWSA-N 1 2 345.403 1.386 20 30 EDEDLO CNC(=O)Cc1nc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)cs1 ZINC000844369069 595332196 /nfs/dbraw/zinc/33/21/96/595332196.db2.gz HGJORUUCLXZBOH-OAHLLOKOSA-N 1 2 344.440 1.469 20 30 EDEDLO CNC(=O)Cc1nc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cs1 ZINC000844369069 595332199 /nfs/dbraw/zinc/33/21/99/595332199.db2.gz HGJORUUCLXZBOH-OAHLLOKOSA-N 1 2 344.440 1.469 20 30 EDEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000846955038 595342553 /nfs/dbraw/zinc/34/25/53/595342553.db2.gz KXFJJVLAAKKNSJ-CQSZACIVSA-N 1 2 325.771 1.570 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000847151163 595368221 /nfs/dbraw/zinc/36/82/21/595368221.db2.gz KPTCYIUNQUVNAX-HNNXBMFYSA-N 1 2 331.420 1.092 20 30 EDEDLO CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNCCCn1cc[nH+]c1 ZINC000848417399 595375752 /nfs/dbraw/zinc/37/57/52/595375752.db2.gz YDRDTWUDYWAAJH-UHFFFAOYSA-N 1 2 326.404 1.310 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000847295647 595389645 /nfs/dbraw/zinc/38/96/45/595389645.db2.gz NKJSQHPWSRBLNU-NVXWUHKLSA-N 1 2 337.489 1.249 20 30 EDEDLO C=CCN1CCN(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)C1=O ZINC000848496159 595396210 /nfs/dbraw/zinc/39/62/10/595396210.db2.gz XODTYJGRUNXKGU-UHFFFAOYSA-N 1 2 331.420 1.509 20 30 EDEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000845253890 595469660 /nfs/dbraw/zinc/46/96/60/595469660.db2.gz SRGGFVFOHBMHMA-INIZCTEOSA-N 1 2 327.388 1.209 20 30 EDEDLO C=C(C)CONC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000845594770 595522906 /nfs/dbraw/zinc/52/29/06/595522906.db2.gz MUOXZTSELINKSX-UHFFFAOYSA-N 1 2 349.431 1.705 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 ZINC000112920467 595569010 /nfs/dbraw/zinc/56/90/10/595569010.db2.gz TZGFIWGWDLHYNQ-INIZCTEOSA-N 1 2 333.338 1.235 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC000855245755 595644043 /nfs/dbraw/zinc/64/40/43/595644043.db2.gz QFFMCAFMISASIE-KSSFIOAISA-N 1 2 336.407 1.368 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC000855245755 595644045 /nfs/dbraw/zinc/64/40/45/595644045.db2.gz QFFMCAFMISASIE-KSSFIOAISA-N 1 2 336.407 1.368 20 30 EDEDLO N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000855304206 595668201 /nfs/dbraw/zinc/66/82/01/595668201.db2.gz GQHBPTTWRZGXKF-BEFAXECRSA-N 1 2 335.411 1.924 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000858117039 595703121 /nfs/dbraw/zinc/70/31/21/595703121.db2.gz XOAMHOMMKRDSDH-ZWKOTPCHSA-N 1 2 345.443 1.397 20 30 EDEDLO C#CC[C@H](COC)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000858117036 595703189 /nfs/dbraw/zinc/70/31/89/595703189.db2.gz XOAMHOMMKRDSDH-MSOLQXFVSA-N 1 2 345.443 1.397 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCCCOc1cccc(Cl)c1 ZINC000111182276 595713303 /nfs/dbraw/zinc/71/33/03/595713303.db2.gz WFXYYUMKEVVQMC-UHFFFAOYSA-N 1 2 327.812 1.730 20 30 EDEDLO COC[C@H](CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1)OC ZINC000853657995 595848279 /nfs/dbraw/zinc/84/82/79/595848279.db2.gz BTIIDJYVCBNNRP-QGZVFWFLSA-N 1 2 345.399 1.959 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)NCc2cc(C#N)ccc2F)[C@@H](C)CO1 ZINC000853796071 595883334 /nfs/dbraw/zinc/88/33/34/595883334.db2.gz ZLJGDSRMJQRQJN-STQMWFEESA-N 1 2 334.395 1.606 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)NCc2cc(C#N)ccc2F)[C@@H](C)CO1 ZINC000853796071 595883337 /nfs/dbraw/zinc/88/33/37/595883337.db2.gz ZLJGDSRMJQRQJN-STQMWFEESA-N 1 2 334.395 1.606 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2nsc3ccccc32)CC1 ZINC000851750451 595907186 /nfs/dbraw/zinc/90/71/86/595907186.db2.gz FNGBFTXUZJDHMD-UHFFFAOYSA-N 1 2 328.441 1.163 20 30 EDEDLO C#CCOCC[N@@H+](CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC000851844541 595944209 /nfs/dbraw/zinc/94/42/09/595944209.db2.gz XRHQZDHGBQVILD-UHFFFAOYSA-N 1 2 328.334 1.903 20 30 EDEDLO C#CCOCC[N@H+](CC(=O)NC)Cc1cccc(C(F)(F)F)c1 ZINC000851844541 595944212 /nfs/dbraw/zinc/94/42/12/595944212.db2.gz XRHQZDHGBQVILD-UHFFFAOYSA-N 1 2 328.334 1.903 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1CCOCC1 ZINC000852069202 596031979 /nfs/dbraw/zinc/03/19/79/596031979.db2.gz XAPXQXSJNRPSDH-GFCCVEGCSA-N 1 2 344.337 1.673 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C ZINC000859479781 596106422 /nfs/dbraw/zinc/10/64/22/596106422.db2.gz PJWHGZPEWPGVSJ-AWEZNQCLSA-N 1 2 325.453 1.866 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C ZINC000859479781 596106426 /nfs/dbraw/zinc/10/64/26/596106426.db2.gz PJWHGZPEWPGVSJ-AWEZNQCLSA-N 1 2 325.453 1.866 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1Cl ZINC000852435508 596160602 /nfs/dbraw/zinc/16/06/02/596160602.db2.gz PTPGVWBODLXJTJ-CYBMUJFWSA-N 1 2 348.790 1.677 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](N3CCOC3=O)C2)cc1Cl ZINC000852435508 596160604 /nfs/dbraw/zinc/16/06/04/596160604.db2.gz PTPGVWBODLXJTJ-CYBMUJFWSA-N 1 2 348.790 1.677 20 30 EDEDLO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1ccncc1C#N ZINC000859860715 596209871 /nfs/dbraw/zinc/20/98/71/596209871.db2.gz GVQPJGXFAICRLO-UHFFFAOYSA-N 1 2 334.420 1.926 20 30 EDEDLO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1ccncc1C#N ZINC000859860715 596209873 /nfs/dbraw/zinc/20/98/73/596209873.db2.gz GVQPJGXFAICRLO-UHFFFAOYSA-N 1 2 334.420 1.926 20 30 EDEDLO Cc1cccc(C[NH+]2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)c1 ZINC000864544166 596258755 /nfs/dbraw/zinc/25/87/55/596258755.db2.gz MMHJNQGJDGLVCY-LJQANCHMSA-N 1 2 327.428 1.960 20 30 EDEDLO N#C[C@]1(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CCCOC1 ZINC000866718311 596309134 /nfs/dbraw/zinc/30/91/34/596309134.db2.gz ZPVPLFJXUHRQDJ-GOSISDBHSA-N 1 2 331.391 1.790 20 30 EDEDLO C#CC[C@@H]1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000862573902 596348990 /nfs/dbraw/zinc/34/89/90/596348990.db2.gz GBBZVPSSIBDFDW-GDBMZVCRSA-N 1 2 330.432 1.355 20 30 EDEDLO C#CC[C@@H]1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000862573902 596348993 /nfs/dbraw/zinc/34/89/93/596348993.db2.gz GBBZVPSSIBDFDW-GDBMZVCRSA-N 1 2 330.432 1.355 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2[nH]c1=S ZINC000870967623 596421158 /nfs/dbraw/zinc/42/11/58/596421158.db2.gz GPIOHLVSBHKMNY-KLPPZKSPSA-N 1 2 344.440 1.338 20 30 EDEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000862969855 596468820 /nfs/dbraw/zinc/46/88/20/596468820.db2.gz OVUDRAKFAZZFMI-AWEZNQCLSA-N 1 2 326.318 1.504 20 30 EDEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000862969855 596468823 /nfs/dbraw/zinc/46/88/23/596468823.db2.gz OVUDRAKFAZZFMI-AWEZNQCLSA-N 1 2 326.318 1.504 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1C#N ZINC000871152069 596480579 /nfs/dbraw/zinc/48/05/79/596480579.db2.gz MNPXBTMXUQJAIU-UHFFFAOYSA-N 1 2 334.445 1.937 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1C#N ZINC000871152069 596480583 /nfs/dbraw/zinc/48/05/83/596480583.db2.gz MNPXBTMXUQJAIU-UHFFFAOYSA-N 1 2 334.445 1.937 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC000865177448 596501219 /nfs/dbraw/zinc/50/12/19/596501219.db2.gz CGWHWEIYRPUFAV-INIZCTEOSA-N 1 2 335.492 1.733 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC000865177448 596501221 /nfs/dbraw/zinc/50/12/21/596501221.db2.gz CGWHWEIYRPUFAV-INIZCTEOSA-N 1 2 335.492 1.733 20 30 EDEDLO CN(C)c1c(C=[NH+]NCC(C)(C)S(C)(=O)=O)ccc(F)c1F ZINC000863107978 596502691 /nfs/dbraw/zinc/50/26/91/596502691.db2.gz DOLRDSJPJMBGBR-UHFFFAOYSA-N 1 2 333.404 1.778 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(Cl)nc3ccccc32)CC1 ZINC000865421101 596569254 /nfs/dbraw/zinc/56/92/54/596569254.db2.gz XOOMXIUIEALCKP-UHFFFAOYSA-N 1 2 345.834 1.707 20 30 EDEDLO N#C[C@H]1CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCN1C1CC1 ZINC000865738353 596664998 /nfs/dbraw/zinc/66/49/98/596664998.db2.gz LRIUPNGTUSBWKE-SFHVURJKSA-N 1 2 335.411 1.614 20 30 EDEDLO C=C(Br)CNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868153700 596704142 /nfs/dbraw/zinc/70/41/42/596704142.db2.gz IYGSKMXUBKTJDP-UHFFFAOYSA-N 1 2 325.210 1.952 20 30 EDEDLO Cn1ncc(I)c1C[NH2+]Cc1ccc(C#N)o1 ZINC000865868760 596705690 /nfs/dbraw/zinc/70/56/90/596705690.db2.gz XDZAPBMHYLTEQV-UHFFFAOYSA-N 1 2 342.140 1.779 20 30 EDEDLO C=CCNC(=O)c1ccc(N2CCC(N3CC[NH+](C)CC3)CC2)nc1 ZINC000866214928 596830862 /nfs/dbraw/zinc/83/08/62/596830862.db2.gz SUPHNYSNYQULRJ-UHFFFAOYSA-N 1 2 343.475 1.214 20 30 EDEDLO C=CCNC(=S)NN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872329581 596881757 /nfs/dbraw/zinc/88/17/57/596881757.db2.gz SVZYYMVSBGRWJY-UHFFFAOYSA-N 1 2 348.472 1.382 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CCOC2(CCCC2)C1 ZINC000872329597 596881874 /nfs/dbraw/zinc/88/18/74/596881874.db2.gz UEFAOPLZJGOGCD-UHFFFAOYSA-N 1 2 340.493 1.262 20 30 EDEDLO C(=NN[C@@H]1CCCOC1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872366187 596895831 /nfs/dbraw/zinc/89/58/31/596895831.db2.gz SOUHNQLVEAOJRI-QGZVFWFLSA-N 1 2 333.432 1.500 20 30 EDEDLO Cc1cc(NC(=O)C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)ncc1C#N ZINC000874159677 596945495 /nfs/dbraw/zinc/94/54/95/596945495.db2.gz YBDYYWMDFNQLNP-INIZCTEOSA-N 1 2 349.394 1.503 20 30 EDEDLO Cc1cc(NC(=O)C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)ncc1C#N ZINC000874159677 596945497 /nfs/dbraw/zinc/94/54/97/596945497.db2.gz YBDYYWMDFNQLNP-INIZCTEOSA-N 1 2 349.394 1.503 20 30 EDEDLO C[N@H+](CCc1cccc(C#N)c1)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000872705889 597039135 /nfs/dbraw/zinc/03/91/35/597039135.db2.gz GNICYUWLVRBCDM-SFHVURJKSA-N 1 2 326.400 1.711 20 30 EDEDLO C[N@@H+](CCc1cccc(C#N)c1)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000872705889 597039138 /nfs/dbraw/zinc/03/91/38/597039138.db2.gz GNICYUWLVRBCDM-SFHVURJKSA-N 1 2 326.400 1.711 20 30 EDEDLO CC(C)C[C@@H]1NC(=O)N(C[N@H+](C)CCc2cccc(C#N)c2)C1=O ZINC000872705997 597039226 /nfs/dbraw/zinc/03/92/26/597039226.db2.gz MMKMKWROBGWHKC-INIZCTEOSA-N 1 2 328.416 1.957 20 30 EDEDLO CC(C)C[C@@H]1NC(=O)N(C[N@@H+](C)CCc2cccc(C#N)c2)C1=O ZINC000872705997 597039231 /nfs/dbraw/zinc/03/92/31/597039231.db2.gz MMKMKWROBGWHKC-INIZCTEOSA-N 1 2 328.416 1.957 20 30 EDEDLO CC(C)C[C@H]1CC(=O)N(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000872792983 597072348 /nfs/dbraw/zinc/07/23/48/597072348.db2.gz HJUOVDPJQLATRQ-INIZCTEOSA-N 1 2 341.459 1.927 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCn4cc[nH+]c43)CC2)cn1 ZINC000873026934 597164248 /nfs/dbraw/zinc/16/42/48/597164248.db2.gz LTIUIZLVOUBVIX-OAHLLOKOSA-N 1 2 337.387 1.126 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000125917700 597186354 /nfs/dbraw/zinc/18/63/54/597186354.db2.gz AOWYJZPZIKTKSB-MRXNPFEDSA-N 1 2 344.459 1.826 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC000876522438 597229418 /nfs/dbraw/zinc/22/94/18/597229418.db2.gz QXOYZSJWRVCSAM-UHFFFAOYSA-N 1 2 349.438 1.977 20 30 EDEDLO CN(C)c1ccc(C#N)cc1CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000876763082 597328889 /nfs/dbraw/zinc/32/88/89/597328889.db2.gz MANLXLNZYKALQN-QHCPKHFHSA-N 1 2 334.489 1.120 20 30 EDEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000873906540 597443924 /nfs/dbraw/zinc/44/39/24/597443924.db2.gz BSICXWLPSQNRHN-QMTHXVAHSA-N 1 2 341.346 1.963 20 30 EDEDLO CC#CCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@H]2C1 ZINC000875504844 597455724 /nfs/dbraw/zinc/45/57/24/597455724.db2.gz WJJVULMYENVEFB-JKSUJKDBSA-N 1 2 328.416 1.614 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000875541801 597470727 /nfs/dbraw/zinc/47/07/27/597470727.db2.gz QGPCGWNLADTSRE-FUHWJXTLSA-N 1 2 342.443 1.956 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000875541801 597470730 /nfs/dbraw/zinc/47/07/30/597470730.db2.gz QGPCGWNLADTSRE-FUHWJXTLSA-N 1 2 342.443 1.956 20 30 EDEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cccc(S(N)(=O)=O)c1)C2 ZINC000877659872 597545780 /nfs/dbraw/zinc/54/57/80/597545780.db2.gz FPVJFHAUUZETQA-UHFFFAOYSA-N 1 2 341.436 1.958 20 30 EDEDLO N#CCc1cccc2c1CC[N@H+](Cc1cccc(S(N)(=O)=O)c1)C2 ZINC000877659872 597545781 /nfs/dbraw/zinc/54/57/81/597545781.db2.gz FPVJFHAUUZETQA-UHFFFAOYSA-N 1 2 341.436 1.958 20 30 EDEDLO C=C(Cl)C[C@@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)C(=O)OCC ZINC000877671093 597546520 /nfs/dbraw/zinc/54/65/20/597546520.db2.gz FJHWZXFKHRQDJT-CYBMUJFWSA-N 1 2 331.844 1.796 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCOC(F)(F)F ZINC000878186211 597585204 /nfs/dbraw/zinc/58/52/04/597585204.db2.gz ROYDHQJRPPACBY-LLVKDONJSA-N 1 2 329.326 1.785 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCOC(F)(F)F ZINC000878186211 597585205 /nfs/dbraw/zinc/58/52/05/597585205.db2.gz ROYDHQJRPPACBY-LLVKDONJSA-N 1 2 329.326 1.785 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000878643556 597666304 /nfs/dbraw/zinc/66/63/04/597666304.db2.gz MRBZFBTXHCDLOX-WMZOPIPTSA-N 1 2 348.468 1.794 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000878643556 597666308 /nfs/dbraw/zinc/66/63/08/597666308.db2.gz MRBZFBTXHCDLOX-WMZOPIPTSA-N 1 2 348.468 1.794 20 30 EDEDLO Cn1ccn2c(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)nnc2c1=O ZINC000878844980 597733252 /nfs/dbraw/zinc/73/32/52/597733252.db2.gz BEPWEZDHVLWCDS-UHFFFAOYSA-N 1 2 334.383 1.469 20 30 EDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(CO)(CO)CC2)cc1Cl ZINC000879969225 597789286 /nfs/dbraw/zinc/78/92/86/597789286.db2.gz APUHHLOXIGJMQY-UHFFFAOYSA-N 1 2 337.807 1.217 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880055445 597824145 /nfs/dbraw/zinc/82/41/45/597824145.db2.gz YKFCHKWJYRQJFS-SCDSUCTJSA-N 1 2 333.354 1.837 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880055445 597824147 /nfs/dbraw/zinc/82/41/47/597824147.db2.gz YKFCHKWJYRQJFS-SCDSUCTJSA-N 1 2 333.354 1.837 20 30 EDEDLO CC(C)(CO)[NH+]1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000881987463 597829387 /nfs/dbraw/zinc/82/93/87/597829387.db2.gz UYCHBDVDQHJBRU-UHFFFAOYSA-N 1 2 339.237 1.609 20 30 EDEDLO CO[C@H]1COCC[C@@H]1[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000880428198 597930299 /nfs/dbraw/zinc/93/02/99/597930299.db2.gz HXEPCQRMMQRXLQ-HOTGVXAUSA-N 1 2 338.429 1.068 20 30 EDEDLO CO[C@H]1COCC[C@@H]1[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000880428198 597930303 /nfs/dbraw/zinc/93/03/03/597930303.db2.gz HXEPCQRMMQRXLQ-HOTGVXAUSA-N 1 2 338.429 1.068 20 30 EDEDLO CSc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000884058877 597982413 /nfs/dbraw/zinc/98/24/13/597982413.db2.gz XTXGOVLUOXCUNT-CYBMUJFWSA-N 1 2 348.472 1.800 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)COc1c(C)cccc1C ZINC000884100012 597994840 /nfs/dbraw/zinc/99/48/40/597994840.db2.gz HAZQMECFPUSORS-CABCVRRESA-N 1 2 334.416 1.634 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1 ZINC000884414805 598098047 /nfs/dbraw/zinc/09/80/47/598098047.db2.gz BJQXJHIVZIIRME-STQMWFEESA-N 1 2 340.326 1.858 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CCc2ccccc2CC1 ZINC000884428435 598102272 /nfs/dbraw/zinc/10/22/72/598102272.db2.gz CUZQTJHGBVCPRZ-KRWDZBQOSA-N 1 2 330.428 1.744 20 30 EDEDLO C[C@H](NS(=O)(=O)CC(C)(C)C#N)C1([NH+]2CCOCC2)CCCC1 ZINC000914237489 695295773 /nfs/dbraw/zinc/29/57/73/695295773.db2.gz YEUKUXYVKWSRGM-AWEZNQCLSA-N 1 2 343.493 1.489 20 30 EDEDLO Oc1ccc(/C=N/C[C@]2([NH+]3CCOCC3)CCSC2)c(O)c1O ZINC000915113368 695745151 /nfs/dbraw/zinc/74/51/51/695745151.db2.gz VLJHJXWIVHNHQO-BRMCRPDNSA-N 1 2 338.429 1.430 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000993226600 695855131 /nfs/dbraw/zinc/85/51/31/695855131.db2.gz YBOIWNZCWUBCSS-KUHUBIRLSA-N 1 2 344.459 1.482 20 30 EDEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@@H]1C ZINC000993330854 695984794 /nfs/dbraw/zinc/98/47/94/695984794.db2.gz FVCLBMYCURRQSX-GXTWGEPZSA-N 1 2 338.429 1.289 20 30 EDEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@@H]1C ZINC000993330854 695984796 /nfs/dbraw/zinc/98/47/96/695984796.db2.gz FVCLBMYCURRQSX-GXTWGEPZSA-N 1 2 338.429 1.289 20 30 EDEDLO C=CCOc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)[C@H]1C ZINC000993499294 696178433 /nfs/dbraw/zinc/17/84/33/696178433.db2.gz ONMJYNXYUWAPHP-HOCLYGCPSA-N 1 2 345.443 1.580 20 30 EDEDLO C=CCOc1ccccc1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)[C@H]1C ZINC000993499294 696178435 /nfs/dbraw/zinc/17/84/35/696178435.db2.gz ONMJYNXYUWAPHP-HOCLYGCPSA-N 1 2 345.443 1.580 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)NC1CCC(Nc2ncccc2C#N)CC1 ZINC001060599394 696249707 /nfs/dbraw/zinc/24/97/07/696249707.db2.gz YHHPADNEGZKMPP-UHFFFAOYSA-N 1 2 338.415 1.769 20 30 EDEDLO C[C@H]1[C@H](NC(=O)Cc2nc[nH]n2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994203285 696578495 /nfs/dbraw/zinc/57/84/95/696578495.db2.gz KVZVVFNEFORYCO-XJKSGUPXSA-N 1 2 338.415 1.388 20 30 EDEDLO C[C@H]1[C@H](NC(=O)Cc2nc[nH]n2)CCC[N@H+]1Cc1ccccc1C#N ZINC000994203285 696578497 /nfs/dbraw/zinc/57/84/97/696578497.db2.gz KVZVVFNEFORYCO-XJKSGUPXSA-N 1 2 338.415 1.388 20 30 EDEDLO C=C(Br)CN1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994512313 696957109 /nfs/dbraw/zinc/95/71/09/696957109.db2.gz XWGCGDPAHZIISX-STQMWFEESA-N 1 2 341.253 1.761 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2cn[nH]c2)C1 ZINC001031559434 697247805 /nfs/dbraw/zinc/24/78/05/697247805.db2.gz LKQDOTISUAEINW-UHFFFAOYSA-N 1 2 325.372 1.152 20 30 EDEDLO Cc1ncc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)[nH]1 ZINC001031581626 697279065 /nfs/dbraw/zinc/27/90/65/697279065.db2.gz DCIOFFYHYJNKSP-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000919769299 697332817 /nfs/dbraw/zinc/33/28/17/697332817.db2.gz LUZFBPYGHUJUIN-UHFFFAOYSA-N 1 2 345.509 1.689 20 30 EDEDLO Cc1nn(C)c(Cl)c1C[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031619480 697335852 /nfs/dbraw/zinc/33/58/52/697335852.db2.gz ZFDWSDQSSNELPP-UHFFFAOYSA-N 1 2 346.822 1.444 20 30 EDEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000921094276 697513572 /nfs/dbraw/zinc/51/35/72/697513572.db2.gz ZRCBEIUAIHSKGT-UHFFFAOYSA-N 1 2 336.442 1.555 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cc4n(n3)CCC4)C2)s1 ZINC001031716641 697745398 /nfs/dbraw/zinc/74/53/98/697745398.db2.gz LDMUUIIXJXGAHD-UHFFFAOYSA-N 1 2 341.440 1.624 20 30 EDEDLO C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001032074400 698118558 /nfs/dbraw/zinc/11/85/58/698118558.db2.gz QMFXRPDDUQIYOU-BLLLJJGKSA-N 1 2 331.391 1.670 20 30 EDEDLO O=C(C#CC1CC1)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060755264 698275933 /nfs/dbraw/zinc/27/59/33/698275933.db2.gz UDELPKUUTGJGQS-WKILWMFISA-N 1 2 328.416 1.088 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nc(Cl)sc3C)CC2)C1 ZINC000941479650 701552833 /nfs/dbraw/zinc/55/28/33/701552833.db2.gz OFDHWHHNPAPACI-UHFFFAOYSA-N 1 2 338.864 1.180 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(F)cc(C)cc3F)CC2)C1 ZINC000941479676 701552904 /nfs/dbraw/zinc/55/29/04/701552904.db2.gz PNXJXTDLOVFKLE-UHFFFAOYSA-N 1 2 347.409 1.739 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccnn2CC(F)(F)F)C1 ZINC001031752047 698957964 /nfs/dbraw/zinc/95/79/64/698957964.db2.gz WERBBPGSAXKRCD-UHFFFAOYSA-N 1 2 336.745 1.860 20 30 EDEDLO C=CCOc1cccnc1C(=O)NCC1C[NH+](Cc2conc2C)C1 ZINC001032114886 698960214 /nfs/dbraw/zinc/96/02/14/698960214.db2.gz MWGJJXGXMVPRKA-UHFFFAOYSA-N 1 2 342.399 1.805 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC000941538880 701569947 /nfs/dbraw/zinc/56/99/47/701569947.db2.gz OMMGBOGUVZPEIM-UHFFFAOYSA-N 1 2 349.837 1.944 20 30 EDEDLO C=CCOc1ccccc1C(=O)NCC1C[NH+](CC(=O)NC2CC2)C1 ZINC001031778741 699178655 /nfs/dbraw/zinc/17/86/55/699178655.db2.gz WTJJUTZYMLHSKU-UHFFFAOYSA-N 1 2 343.427 1.192 20 30 EDEDLO C#Cc1cncc(C(=O)N2CCN(C3C[NH+](C[C@@H](F)CC)C3)CC2)c1 ZINC000941559945 701583115 /nfs/dbraw/zinc/58/31/15/701583115.db2.gz PVXGHMGLZNUMOH-KRWDZBQOSA-N 1 2 344.434 1.253 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3oc(C(C)C)nc3C)CC2)C1 ZINC000941599625 701592342 /nfs/dbraw/zinc/59/23/42/701592342.db2.gz FFGMPFCWCNERQD-UHFFFAOYSA-N 1 2 330.432 1.182 20 30 EDEDLO CCOc1nc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)co1 ZINC001031814417 699499219 /nfs/dbraw/zinc/49/92/19/699499219.db2.gz DJWITGJKMBZDEQ-UHFFFAOYSA-N 1 2 340.383 1.807 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn([C@H](C)CC)c3C)CC2)C1 ZINC000941632955 701600942 /nfs/dbraw/zinc/60/09/42/701600942.db2.gz XRCLTGRRJXTXKV-OAHLLOKOSA-N 1 2 343.475 1.238 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCO[C@H](CCC)C3)CC2)C1 ZINC000941617642 701597906 /nfs/dbraw/zinc/59/79/06/701597906.db2.gz FMHIACLAEOUZHE-IEBWSBKVSA-N 1 2 347.503 1.433 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3C3CCCC3)CC2)C1 ZINC000941622673 701604631 /nfs/dbraw/zinc/60/46/31/701604631.db2.gz LTOHAUGNTLNYEZ-RBUKOAKNSA-N 1 2 329.488 1.664 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3csc4c3CCCC4)CC2)C1 ZINC000941660042 701607957 /nfs/dbraw/zinc/60/79/57/701607957.db2.gz DGVHSLZOQZTYHU-UHFFFAOYSA-N 1 2 343.496 1.702 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C(C)(F)F)cc3)CC2)C1 ZINC000941692389 701636917 /nfs/dbraw/zinc/63/69/17/701636917.db2.gz JJVYRSGEJDJXAZ-UHFFFAOYSA-N 1 2 347.409 1.874 20 30 EDEDLO Cc1nn(C)c(C)c1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031885525 700585849 /nfs/dbraw/zinc/58/58/49/700585849.db2.gz MUUKXQICYANDIT-UHFFFAOYSA-N 1 2 336.439 1.750 20 30 EDEDLO Cn1ncc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)n1 ZINC000940692716 700834389 /nfs/dbraw/zinc/83/43/89/700834389.db2.gz FNDGTOPJMZGIFU-HNNXBMFYSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1ncc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)n1 ZINC000940692716 700834391 /nfs/dbraw/zinc/83/43/91/700834391.db2.gz FNDGTOPJMZGIFU-HNNXBMFYSA-N 1 2 341.419 1.045 20 30 EDEDLO C=C(C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000182618562 700921340 /nfs/dbraw/zinc/92/13/40/700921340.db2.gz UJUGXJNKGDZXNH-INIZCTEOSA-N 1 2 332.360 1.827 20 30 EDEDLO C=C(C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000182618562 700921341 /nfs/dbraw/zinc/92/13/41/700921341.db2.gz UJUGXJNKGDZXNH-INIZCTEOSA-N 1 2 332.360 1.827 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3csc(=O)[nH]3)C2)cc1F ZINC001031914302 700967147 /nfs/dbraw/zinc/96/71/47/700967147.db2.gz GRGINPPMJDHKTO-UHFFFAOYSA-N 1 2 346.387 1.721 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccon3)CC2(C)C)nn1 ZINC000941084903 701126771 /nfs/dbraw/zinc/12/67/71/701126771.db2.gz HVDGOTMHGMKLEO-OAHLLOKOSA-N 1 2 344.419 1.483 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccon3)CC2(C)C)nn1 ZINC000941084903 701126772 /nfs/dbraw/zinc/12/67/72/701126772.db2.gz HVDGOTMHGMKLEO-OAHLLOKOSA-N 1 2 344.419 1.483 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@@H]1CCCc2nn[nH]c21 ZINC001031931507 701380914 /nfs/dbraw/zinc/38/09/14/701380914.db2.gz PVRFZZKWNTZYRV-QGZVFWFLSA-N 1 2 349.438 1.324 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@@H]1CCCc2n[nH]nc21 ZINC001031931507 701380917 /nfs/dbraw/zinc/38/09/17/701380917.db2.gz PVRFZZKWNTZYRV-QGZVFWFLSA-N 1 2 349.438 1.324 20 30 EDEDLO N#Cc1cccc(C[NH+]2CC(N3CCN(C(=O)C(F)F)CC3)C2)c1 ZINC000941260279 701435476 /nfs/dbraw/zinc/43/54/76/701435476.db2.gz MOFSIEXZVRWXHS-UHFFFAOYSA-N 1 2 334.370 1.152 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnc(CCC)c3)CC2)C1 ZINC000941444442 701536006 /nfs/dbraw/zinc/53/60/06/701536006.db2.gz MRMUSZYSRPCYHY-UHFFFAOYSA-N 1 2 326.444 1.109 20 30 EDEDLO Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)nc1 ZINC000941929576 702157063 /nfs/dbraw/zinc/15/70/63/702157063.db2.gz OIRRIVMFAHVKRU-ZFWWWQNUSA-N 1 2 338.415 1.625 20 30 EDEDLO Cc1cnc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)nc1 ZINC000941929576 702157068 /nfs/dbraw/zinc/15/70/68/702157068.db2.gz OIRRIVMFAHVKRU-ZFWWWQNUSA-N 1 2 338.415 1.625 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cscn2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941941271 702172863 /nfs/dbraw/zinc/17/28/63/702172863.db2.gz BJSFTMBCASKUCR-ABAIWWIYSA-N 1 2 329.429 1.983 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cscn2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941941271 702172869 /nfs/dbraw/zinc/17/28/69/702172869.db2.gz BJSFTMBCASKUCR-ABAIWWIYSA-N 1 2 329.429 1.983 20 30 EDEDLO CCn1ncc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)n1 ZINC000941963899 702252368 /nfs/dbraw/zinc/25/23/68/702252368.db2.gz NFCSXFIMVWSBEI-WBMJQRKESA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)n1 ZINC000941963899 702252372 /nfs/dbraw/zinc/25/23/72/702252372.db2.gz NFCSXFIMVWSBEI-WBMJQRKESA-N 1 2 341.419 1.138 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031986774 702380305 /nfs/dbraw/zinc/38/03/05/702380305.db2.gz CWTYSPIEHRHSBA-MOPGFXCFSA-N 1 2 342.414 1.816 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)ccc1F ZINC001031992835 702525634 /nfs/dbraw/zinc/52/56/34/702525634.db2.gz PASBQKVDWCYYSS-NUJGCVRESA-N 1 2 343.402 1.813 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)o3)C(C)(C)C2)cc1 ZINC000996115810 702544025 /nfs/dbraw/zinc/54/40/25/702544025.db2.gz PKFZXHQSAGXDDG-MRXNPFEDSA-N 1 2 338.411 2.000 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3C)C[C@H]2C)CC1 ZINC000942599674 703114993 /nfs/dbraw/zinc/11/49/93/703114993.db2.gz CKGJXOCRNDCKNO-GDBMZVCRSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3C)C[C@H]2C)CC1 ZINC000942599674 703114994 /nfs/dbraw/zinc/11/49/94/703114994.db2.gz CKGJXOCRNDCKNO-GDBMZVCRSA-N 1 2 331.464 1.888 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccc(C)n3)C[C@@H]2C)c1 ZINC000942616325 703130236 /nfs/dbraw/zinc/13/02/36/703130236.db2.gz KPIJNNHALIVFTH-KBXCAEBGSA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3nccc(C)n3)C[C@@H]2C)c1 ZINC000942616325 703130237 /nfs/dbraw/zinc/13/02/37/703130237.db2.gz KPIJNNHALIVFTH-KBXCAEBGSA-N 1 2 349.438 1.802 20 30 EDEDLO CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001032337977 703152784 /nfs/dbraw/zinc/15/27/84/703152784.db2.gz LQQLRYZSFMPFOE-KBPBESRZSA-N 1 2 339.399 1.844 20 30 EDEDLO CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001032337977 703152785 /nfs/dbraw/zinc/15/27/85/703152785.db2.gz LQQLRYZSFMPFOE-KBPBESRZSA-N 1 2 339.399 1.844 20 30 EDEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001060775301 703185175 /nfs/dbraw/zinc/18/51/75/703185175.db2.gz DKLPCMSTYOVNCN-KKUMJFAQSA-N 1 2 345.447 1.304 20 30 EDEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C(N)=O)c2)c[nH]1 ZINC001032362455 703229427 /nfs/dbraw/zinc/22/94/27/703229427.db2.gz BZCROWQFVMXACS-IRXDYDNUSA-N 1 2 349.394 1.084 20 30 EDEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C(N)=O)c2)c[nH]1 ZINC001032362455 703229428 /nfs/dbraw/zinc/22/94/28/703229428.db2.gz BZCROWQFVMXACS-IRXDYDNUSA-N 1 2 349.394 1.084 20 30 EDEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CC[NH+](Cc2nncn2C)CC1 ZINC000997002635 703259242 /nfs/dbraw/zinc/25/92/42/703259242.db2.gz BTXMLBQIACGDST-GFCCVEGCSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1ncc(C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC001032050552 703359261 /nfs/dbraw/zinc/35/92/61/703359261.db2.gz CVJKRKULNGLXAF-UHFFFAOYSA-N 1 2 343.818 1.182 20 30 EDEDLO C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CCN(CC#N)CC1 ZINC000997281180 703546156 /nfs/dbraw/zinc/54/61/56/703546156.db2.gz ZOMAQBKSJPODRI-QAPCUYQASA-N 1 2 348.491 1.370 20 30 EDEDLO C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CCN(CC#N)CC1 ZINC000997281180 703546158 /nfs/dbraw/zinc/54/61/58/703546158.db2.gz ZOMAQBKSJPODRI-QAPCUYQASA-N 1 2 348.491 1.370 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2nonc2C)CC1 ZINC001004268644 704093058 /nfs/dbraw/zinc/09/30/58/704093058.db2.gz YHVPDHRCEBMCAG-UHFFFAOYSA-N 1 2 329.198 1.481 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc(C3CC3)nn2)CC1 ZINC001004456199 704449388 /nfs/dbraw/zinc/44/93/88/704449388.db2.gz FVDZBEIRQQCWNU-QGZVFWFLSA-N 1 2 342.447 1.382 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc(C3CC3)nn2)CC1 ZINC001004456199 704449389 /nfs/dbraw/zinc/44/93/89/704449389.db2.gz FVDZBEIRQQCWNU-QGZVFWFLSA-N 1 2 342.447 1.382 20 30 EDEDLO Cc1nonc1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001032224539 704774756 /nfs/dbraw/zinc/77/47/56/704774756.db2.gz KUNMEYCHEGDNED-UHFFFAOYSA-N 1 2 344.802 1.745 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCN(C(C)(C)C)C1=O ZINC001032562388 704799226 /nfs/dbraw/zinc/79/92/26/704799226.db2.gz SHZYBASILZRQRN-SOUVJXGZSA-N 1 2 333.476 1.883 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCN(C(C)(C)C)C1=O ZINC001032562388 704799228 /nfs/dbraw/zinc/79/92/28/704799228.db2.gz SHZYBASILZRQRN-SOUVJXGZSA-N 1 2 333.476 1.883 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000945036210 704967667 /nfs/dbraw/zinc/96/76/67/704967667.db2.gz YNZMNZUMQZXCCQ-MGPQQGTHSA-N 1 2 341.415 1.124 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000945036210 704967669 /nfs/dbraw/zinc/96/76/69/704967669.db2.gz YNZMNZUMQZXCCQ-MGPQQGTHSA-N 1 2 341.415 1.124 20 30 EDEDLO CC(C)(C(=O)N1CC[C@H](C(F)(F)F)[C@H](NCC#N)C1)c1c[nH+]c[nH]1 ZINC000998303181 705714091 /nfs/dbraw/zinc/71/40/91/705714091.db2.gz KZRAXADTEOREMD-WDEREUQCSA-N 1 2 343.353 1.580 20 30 EDEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)O1 ZINC001032640624 706195782 /nfs/dbraw/zinc/19/57/82/706195782.db2.gz OINUXVIYHTVSFT-XFKAJCMBSA-N 1 2 325.412 1.911 20 30 EDEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)O1 ZINC001032640624 706195786 /nfs/dbraw/zinc/19/57/86/706195786.db2.gz OINUXVIYHTVSFT-XFKAJCMBSA-N 1 2 325.412 1.911 20 30 EDEDLO CCc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998958353 706398706 /nfs/dbraw/zinc/39/87/06/706398706.db2.gz UWQGXNABZDZMAW-DGCLKSJQSA-N 1 2 342.403 1.787 20 30 EDEDLO Cc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998959058 706399571 /nfs/dbraw/zinc/39/95/71/706399571.db2.gz XERFJBFCBVDTIH-ZWNOBZJWSA-N 1 2 328.376 1.533 20 30 EDEDLO COc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)nn1 ZINC001032715623 706962688 /nfs/dbraw/zinc/96/26/88/706962688.db2.gz FXESRCRBOXMPHZ-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO COc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)nn1 ZINC001032715623 706962690 /nfs/dbraw/zinc/96/26/90/706962690.db2.gz FXESRCRBOXMPHZ-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC001061615203 707195022 /nfs/dbraw/zinc/19/50/22/707195022.db2.gz JWKJXHKFMNHMKU-OAHLLOKOSA-N 1 2 348.447 1.219 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001033596969 708302859 /nfs/dbraw/zinc/30/28/59/708302859.db2.gz PQDFHWNKMNBPRL-LBPRGKRZSA-N 1 2 347.802 1.469 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001033596969 708302862 /nfs/dbraw/zinc/30/28/62/708302862.db2.gz PQDFHWNKMNBPRL-LBPRGKRZSA-N 1 2 347.802 1.469 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccns3)C2)cn1 ZINC001033604203 708326104 /nfs/dbraw/zinc/32/61/04/708326104.db2.gz QGIKYLXIIAETGR-HNNXBMFYSA-N 1 2 326.425 1.866 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccns3)C2)cn1 ZINC001033604203 708326106 /nfs/dbraw/zinc/32/61/06/708326106.db2.gz QGIKYLXIIAETGR-HNNXBMFYSA-N 1 2 326.425 1.866 20 30 EDEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CC[NH+](Cc2nccn2C)CC1 ZINC001005259970 708442750 /nfs/dbraw/zinc/44/27/50/708442750.db2.gz LVKRRUSBOJOOAT-UHFFFAOYSA-N 1 2 326.404 1.356 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2snnc2C)CC1 ZINC001002321592 708806299 /nfs/dbraw/zinc/80/62/99/708806299.db2.gz VUTVGIKPTCMYEB-UHFFFAOYSA-N 1 2 345.266 1.949 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001033805989 708810603 /nfs/dbraw/zinc/81/06/03/708810603.db2.gz KBIGJNKYNKQEJM-OAHLLOKOSA-N 1 2 341.419 1.234 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001033805989 708810606 /nfs/dbraw/zinc/81/06/06/708810606.db2.gz KBIGJNKYNKQEJM-OAHLLOKOSA-N 1 2 341.419 1.234 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001061096635 709041315 /nfs/dbraw/zinc/04/13/15/709041315.db2.gz VVHNBNOHFIMJLC-CHWSQXEVSA-N 1 2 325.376 1.084 20 30 EDEDLO N#Cc1cnc(N[C@@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001061096843 709042988 /nfs/dbraw/zinc/04/29/88/709042988.db2.gz YFHDELPHCAGLNO-OLZOCXBDSA-N 1 2 325.376 1.084 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)c3[nH]nc(C)c3C)CC2)C1=O ZINC001002491625 709044928 /nfs/dbraw/zinc/04/49/28/709044928.db2.gz DHFXKQZVLRHRAM-HNNXBMFYSA-N 1 2 345.447 1.008 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001034052056 709280916 /nfs/dbraw/zinc/28/09/16/709280916.db2.gz FLMJVIBGACUOSV-KGLIPLIRSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001034052056 709280918 /nfs/dbraw/zinc/28/09/18/709280918.db2.gz FLMJVIBGACUOSV-KGLIPLIRSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001016337340 709459299 /nfs/dbraw/zinc/45/92/99/709459299.db2.gz RCHVOBSKRFLGLT-LBPRGKRZSA-N 1 2 329.853 1.470 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001016337340 709459301 /nfs/dbraw/zinc/45/93/01/709459301.db2.gz RCHVOBSKRFLGLT-LBPRGKRZSA-N 1 2 329.853 1.470 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@]2(F)CCOC2)CC1 ZINC001003508304 710389571 /nfs/dbraw/zinc/38/95/71/710389571.db2.gz ODMCGJZWVQBORF-SFHVURJKSA-N 1 2 349.381 1.907 20 30 EDEDLO N#CCN[C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001034700901 710804897 /nfs/dbraw/zinc/80/48/97/710804897.db2.gz LBOQAEHDABDNEF-ULQDDVLXSA-N 1 2 334.464 1.028 20 30 EDEDLO N#CCN[C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001034700901 710804903 /nfs/dbraw/zinc/80/49/03/710804903.db2.gz LBOQAEHDABDNEF-ULQDDVLXSA-N 1 2 334.464 1.028 20 30 EDEDLO C=CCC(CC=C)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001061817307 711277312 /nfs/dbraw/zinc/27/73/12/711277312.db2.gz FPBDQFBQXOJWQA-HNNXBMFYSA-N 1 2 346.431 1.064 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001034887078 711292239 /nfs/dbraw/zinc/29/22/39/711292239.db2.gz RCGVECJBFDDZRO-WCQYABFASA-N 1 2 329.360 1.570 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ccc(=O)[nH]c2)CC1 ZINC001004090011 711440328 /nfs/dbraw/zinc/44/03/28/711440328.db2.gz BMLUCDHABOIFLB-UHFFFAOYSA-N 1 2 340.221 1.890 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001033134400 711895593 /nfs/dbraw/zinc/89/55/93/711895593.db2.gz VWSYIABGHYSOHW-AWEZNQCLSA-N 1 2 336.823 1.939 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001033134400 711895594 /nfs/dbraw/zinc/89/55/94/711895594.db2.gz VWSYIABGHYSOHW-AWEZNQCLSA-N 1 2 336.823 1.939 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2ncccn2)CC1 ZINC001004578638 712009967 /nfs/dbraw/zinc/00/99/67/712009967.db2.gz XAIAFVZIKXRPFC-INIZCTEOSA-N 1 2 327.432 1.636 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2ncccn2)CC1 ZINC001004578638 712009970 /nfs/dbraw/zinc/00/99/70/712009970.db2.gz XAIAFVZIKXRPFC-INIZCTEOSA-N 1 2 327.432 1.636 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001033165906 712287801 /nfs/dbraw/zinc/28/78/01/712287801.db2.gz POPNBPKJOGZXKI-LLVKDONJSA-N 1 2 341.209 1.237 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001033165906 712287803 /nfs/dbraw/zinc/28/78/03/712287803.db2.gz POPNBPKJOGZXKI-LLVKDONJSA-N 1 2 341.209 1.237 20 30 EDEDLO CC(=O)N1CCC(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000328750839 539362086 /nfs/dbraw/zinc/36/20/86/539362086.db2.gz CFNUZOJFSRNTPO-UHFFFAOYSA-N 1 2 345.447 1.124 20 30 EDEDLO Cc1noc([C@@H]2CCCCN2C(=O)NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000329227884 539421018 /nfs/dbraw/zinc/42/10/18/539421018.db2.gz BJIYRLTVFIPXOK-JSGCOSHPSA-N 1 2 337.424 1.540 20 30 EDEDLO Cn1c2nnc(C[NH2+][C@@H]3CCC[C@H]3C#N)n2c2ccsc2c1=O ZINC000329585286 539446048 /nfs/dbraw/zinc/44/60/48/539446048.db2.gz MEFAQLSGHSOVII-VHSXEESVSA-N 1 2 328.401 1.425 20 30 EDEDLO CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1c[nH+]c[nH]1)C2=O ZINC000329743535 539462326 /nfs/dbraw/zinc/46/23/26/539462326.db2.gz QBGJFVLXHRNEED-UHFFFAOYSA-N 1 2 333.392 1.961 20 30 EDEDLO CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1c[nH]c[nH+]1)C2=O ZINC000329743535 539462331 /nfs/dbraw/zinc/46/23/31/539462331.db2.gz QBGJFVLXHRNEED-UHFFFAOYSA-N 1 2 333.392 1.961 20 30 EDEDLO O=C(N[C@@H]1CCc2c1cccc2O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329748186 539462074 /nfs/dbraw/zinc/46/20/74/539462074.db2.gz SUDMEGHOUZUEHO-XJKSGUPXSA-N 1 2 331.416 1.700 20 30 EDEDLO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c2nccn21 ZINC000562998195 306315133 /nfs/dbraw/zinc/31/51/33/306315133.db2.gz BXCWSAOYCUEMBY-SWLSCSKDSA-N 1 2 330.413 1.824 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)nn1 ZINC000653776906 452110033 /nfs/dbraw/zinc/11/00/33/452110033.db2.gz FRDMHDWMDKRMML-CYBMUJFWSA-N 1 2 331.342 1.355 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCCCO3)CC2)cc1 ZINC000029188911 202183046 /nfs/dbraw/zinc/18/30/46/202183046.db2.gz XKPHOYOGUDBORJ-INIZCTEOSA-N 1 2 349.456 1.434 20 30 EDEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc(Cl)n1 ZINC000125704764 237167028 /nfs/dbraw/zinc/16/70/28/237167028.db2.gz ZDCXFUKEKZCTMR-UHFFFAOYSA-N 1 2 336.823 1.732 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177192387 237375266 /nfs/dbraw/zinc/37/52/66/237375266.db2.gz QFFITYBPOHIPEA-CQSZACIVSA-N 1 2 346.374 1.680 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177192387 237375270 /nfs/dbraw/zinc/37/52/70/237375270.db2.gz QFFITYBPOHIPEA-CQSZACIVSA-N 1 2 346.374 1.680 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCNC(=O)CC2)cc1C ZINC000054259333 201131635 /nfs/dbraw/zinc/13/16/35/201131635.db2.gz KZBPGTNCJGSMLA-UHFFFAOYSA-N 1 2 328.416 1.372 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCNC(=O)CC2)cc1C ZINC000054259333 201131639 /nfs/dbraw/zinc/13/16/39/201131639.db2.gz KZBPGTNCJGSMLA-UHFFFAOYSA-N 1 2 328.416 1.372 20 30 EDEDLO COCCN1C(=O)C2(CC2)[NH2+]C12CCN(c1ccc(C#N)cc1)CC2 ZINC000567141346 306439375 /nfs/dbraw/zinc/43/93/75/306439375.db2.gz VUXZSBQLKQHSSD-UHFFFAOYSA-N 1 2 340.427 1.466 20 30 EDEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554712 204010812 /nfs/dbraw/zinc/01/08/12/204010812.db2.gz JOHGJZWMVCZFQH-CQSZACIVSA-N 1 2 343.431 1.303 20 30 EDEDLO CCCC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000160767257 206312582 /nfs/dbraw/zinc/31/25/82/206312582.db2.gz DOJIIFASZLWLFX-OAHLLOKOSA-N 1 2 346.456 1.995 20 30 EDEDLO CCCC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000160767257 206312586 /nfs/dbraw/zinc/31/25/86/206312586.db2.gz DOJIIFASZLWLFX-OAHLLOKOSA-N 1 2 346.456 1.995 20 30 EDEDLO COc1ccnc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000160973602 206321324 /nfs/dbraw/zinc/32/13/24/206321324.db2.gz OJCYZVIPIJJZJV-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000161807183 206371168 /nfs/dbraw/zinc/37/11/68/206371168.db2.gz CEORZGOQCVNNJQ-OAHLLOKOSA-N 1 2 327.432 1.395 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000247231328 139141380 /nfs/dbraw/zinc/14/13/80/139141380.db2.gz XBGHKFQUSUVRAG-VYDXJSESSA-N 1 2 343.427 1.505 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000345815508 250036000 /nfs/dbraw/zinc/03/60/00/250036000.db2.gz KHPWFNQKZKLVGI-OAHLLOKOSA-N 1 2 335.408 1.198 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000352019462 250069137 /nfs/dbraw/zinc/06/91/37/250069137.db2.gz FGNFOIQZXWYBLF-MGPQQGTHSA-N 1 2 349.456 1.304 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000352019462 250069139 /nfs/dbraw/zinc/06/91/39/250069139.db2.gz FGNFOIQZXWYBLF-MGPQQGTHSA-N 1 2 349.456 1.304 20 30 EDEDLO Cc1occc1C(=O)NC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000346853402 250047749 /nfs/dbraw/zinc/04/77/49/250047749.db2.gz SLMHMYYNYDAZFH-UHFFFAOYSA-N 1 2 344.415 1.345 20 30 EDEDLO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C#N)CC3)C2=O)cc1 ZINC000352270100 250078441 /nfs/dbraw/zinc/07/84/41/250078441.db2.gz BZSFHWIMKCLODU-MRXNPFEDSA-N 1 2 327.384 1.953 20 30 EDEDLO C#CCCN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000368589018 250200074 /nfs/dbraw/zinc/20/00/74/250200074.db2.gz HNHWIIBHZPSBJH-IBGZPJMESA-N 1 2 325.456 1.819 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000368583320 250200724 /nfs/dbraw/zinc/20/07/24/250200724.db2.gz IJVFSGMGYBKVRB-CYBMUJFWSA-N 1 2 331.507 1.379 20 30 EDEDLO C#CCCCNC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000373461108 250238361 /nfs/dbraw/zinc/23/83/61/250238361.db2.gz PWNOPQKSWGOFCJ-GJZGRUSLSA-N 1 2 335.427 1.387 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000373981776 250249875 /nfs/dbraw/zinc/24/98/75/250249875.db2.gz ITGHEVMZOQVGPT-NVXWUHKLSA-N 1 2 325.453 1.522 20 30 EDEDLO O=C(C#Cc1ccccc1)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000378150794 250297781 /nfs/dbraw/zinc/29/77/81/250297781.db2.gz PEZZUZRAXQMYTP-IBGZPJMESA-N 1 2 328.412 1.036 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000410488620 250327049 /nfs/dbraw/zinc/32/70/49/250327049.db2.gz KZMCTLOSYSKNTC-UHFFFAOYSA-N 1 2 349.500 1.989 20 30 EDEDLO N#Cc1ncn(CC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)n1 ZINC000254942866 139207478 /nfs/dbraw/zinc/20/74/78/139207478.db2.gz VRPRZYSAHCAAHA-DAXSKMNVSA-N 1 2 336.399 1.007 20 30 EDEDLO C=CCn1cc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000424907653 252284773 /nfs/dbraw/zinc/28/47/73/252284773.db2.gz KQFGXOYYNUOGKE-UHFFFAOYSA-N 1 2 341.415 1.226 20 30 EDEDLO COc1ccc(C[C@@H](CO)CNc2cc(C)[nH+]cc2C#N)cc1O ZINC000425226003 252302610 /nfs/dbraw/zinc/30/26/10/252302610.db2.gz HAYALWWEABJXIN-CQSZACIVSA-N 1 2 327.384 1.661 20 30 EDEDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000570264237 306534566 /nfs/dbraw/zinc/53/45/66/306534566.db2.gz WLVRZSXNHYMPIT-INIZCTEOSA-N 1 2 343.475 1.968 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+](CCO)CCOCCO ZINC000459794580 255001589 /nfs/dbraw/zinc/00/15/89/255001589.db2.gz PTXFMSNMNRAGIA-UHFFFAOYSA-N 1 2 343.221 1.124 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+](CCO)CCOCCO ZINC000459794580 255001590 /nfs/dbraw/zinc/00/15/90/255001590.db2.gz PTXFMSNMNRAGIA-UHFFFAOYSA-N 1 2 343.221 1.124 20 30 EDEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1OC ZINC000488007202 255040149 /nfs/dbraw/zinc/04/01/49/255040149.db2.gz HZOVGVIKTSKLGV-LEWSCRJBSA-N 1 2 349.456 1.781 20 30 EDEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1OC ZINC000488007202 255040151 /nfs/dbraw/zinc/04/01/51/255040151.db2.gz HZOVGVIKTSKLGV-LEWSCRJBSA-N 1 2 349.456 1.781 20 30 EDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000490715697 255102190 /nfs/dbraw/zinc/10/21/90/255102190.db2.gz YWQLSOPONRCEQA-UHFFFAOYSA-N 1 2 340.423 1.547 20 30 EDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000490715697 255102192 /nfs/dbraw/zinc/10/21/92/255102192.db2.gz YWQLSOPONRCEQA-UHFFFAOYSA-N 1 2 340.423 1.547 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](C)c2sc(CC)nc2C)CC1 ZINC000491707990 255144380 /nfs/dbraw/zinc/14/43/80/255144380.db2.gz MHWKBUVRWUMVBM-OAHLLOKOSA-N 1 2 348.516 1.784 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](C)[C@H](C)c2sc(CC)nc2C)CC1 ZINC000491707990 255144381 /nfs/dbraw/zinc/14/43/81/255144381.db2.gz MHWKBUVRWUMVBM-OAHLLOKOSA-N 1 2 348.516 1.784 20 30 EDEDLO C#CCN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000491725471 255145260 /nfs/dbraw/zinc/14/52/60/255145260.db2.gz BLMGYRITJIMLFB-AWEZNQCLSA-N 1 2 347.846 1.637 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000491817643 255149638 /nfs/dbraw/zinc/14/96/38/255149638.db2.gz YVYOKKBUWWLCSY-QAPCUYQASA-N 1 2 343.427 1.946 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(N3CCCC3)c2)CC1 ZINC000491630712 255134058 /nfs/dbraw/zinc/13/40/58/255134058.db2.gz NKUQZMRUGBJJPP-UHFFFAOYSA-N 1 2 327.428 1.443 20 30 EDEDLO C[C@@]1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCO1 ZINC000331857014 141089820 /nfs/dbraw/zinc/08/98/20/141089820.db2.gz DJZJYOAIOZFNME-IBGZPJMESA-N 1 2 342.443 1.955 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C[C@H]21 ZINC000332196906 141138423 /nfs/dbraw/zinc/13/84/23/141138423.db2.gz RMYLJLMHWNBMEO-CVEARBPZSA-N 1 2 331.391 1.516 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C[C@H]21 ZINC000332196906 141138424 /nfs/dbraw/zinc/13/84/24/141138424.db2.gz RMYLJLMHWNBMEO-CVEARBPZSA-N 1 2 331.391 1.516 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000332678950 141227961 /nfs/dbraw/zinc/22/79/61/141227961.db2.gz RCTHZNVGVMRMGF-AWEZNQCLSA-N 1 2 330.388 1.505 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)o1 ZINC000340074153 142257459 /nfs/dbraw/zinc/25/74/59/142257459.db2.gz CFRAGLAVCAJUCQ-UHFFFAOYSA-N 1 2 338.367 1.208 20 30 EDEDLO Cn1c[nH+]c2c1CCN(CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000369778313 155173641 /nfs/dbraw/zinc/17/36/41/155173641.db2.gz QDGVIINFVDSLCZ-UHFFFAOYSA-N 1 2 329.791 1.942 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)o1 ZINC000352720256 149129005 /nfs/dbraw/zinc/12/90/05/149129005.db2.gz SOVLPZITQGFZDW-AEFFLSMTSA-N 1 2 337.379 1.877 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)o1 ZINC000352720256 149129006 /nfs/dbraw/zinc/12/90/06/149129006.db2.gz SOVLPZITQGFZDW-AEFFLSMTSA-N 1 2 337.379 1.877 20 30 EDEDLO Cc1cc(C[NH+]2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)on1 ZINC000360366727 152008458 /nfs/dbraw/zinc/00/84/58/152008458.db2.gz VFPGAKVSYQOJFO-KRWDZBQOSA-N 1 2 339.399 1.199 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000364404747 153229156 /nfs/dbraw/zinc/22/91/56/153229156.db2.gz DCKZINLHNFDJBC-CQSZACIVSA-N 1 2 345.428 1.330 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000364404747 153229158 /nfs/dbraw/zinc/22/91/58/153229158.db2.gz DCKZINLHNFDJBC-CQSZACIVSA-N 1 2 345.428 1.330 20 30 EDEDLO Cc1csc(NC(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)n1 ZINC000373400708 156834454 /nfs/dbraw/zinc/83/44/54/156834454.db2.gz RISYDNREEFHEDH-UHFFFAOYSA-N 1 2 331.405 1.190 20 30 EDEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1cncc(C#N)c1 ZINC000352189238 162040805 /nfs/dbraw/zinc/04/08/05/162040805.db2.gz LSPDEXWNIFTNRV-UHFFFAOYSA-N 1 2 331.401 1.307 20 30 EDEDLO CC(C)n1cnnc1C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000292375273 270010845 /nfs/dbraw/zinc/01/08/45/270010845.db2.gz JESBNMGYFZLFDW-OAHLLOKOSA-N 1 2 329.404 1.602 20 30 EDEDLO CC(C)n1cnnc1C[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000292375273 270010846 /nfs/dbraw/zinc/01/08/46/270010846.db2.gz JESBNMGYFZLFDW-OAHLLOKOSA-N 1 2 329.404 1.602 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193766870 266132725 /nfs/dbraw/zinc/13/27/25/266132725.db2.gz HNSAUPBNKZQBNV-OAHLLOKOSA-N 1 2 340.431 1.083 20 30 EDEDLO CC(C)OC[C@@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000433140507 266931591 /nfs/dbraw/zinc/93/15/91/266931591.db2.gz HSRQFHBIYDPQBS-OAHLLOKOSA-N 1 2 340.445 1.050 20 30 EDEDLO CC(C)OC[C@@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000433140507 266931593 /nfs/dbraw/zinc/93/15/93/266931593.db2.gz HSRQFHBIYDPQBS-OAHLLOKOSA-N 1 2 340.445 1.050 20 30 EDEDLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292145924 267006882 /nfs/dbraw/zinc/00/68/82/267006882.db2.gz JWKQCZFHNPPVQG-SMDDNHRTSA-N 1 2 325.376 1.489 20 30 EDEDLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292145924 267006887 /nfs/dbraw/zinc/00/68/87/267006887.db2.gz JWKQCZFHNPPVQG-SMDDNHRTSA-N 1 2 325.376 1.489 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)c1ncc(Br)cc1C#N ZINC000296727724 267157197 /nfs/dbraw/zinc/15/71/97/267157197.db2.gz IELNCLSDHMJMRV-LLVKDONJSA-N 1 2 339.237 1.873 20 30 EDEDLO CN(C)c1noc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)n1 ZINC000528779533 267295631 /nfs/dbraw/zinc/29/56/31/267295631.db2.gz VRDBAXDBKIXKLL-UHFFFAOYSA-N 1 2 327.388 1.803 20 30 EDEDLO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1S(N)(=O)=O ZINC000432981822 267310859 /nfs/dbraw/zinc/31/08/59/267310859.db2.gz AHYXORAUWAAYBX-UHFFFAOYSA-N 1 2 333.388 1.977 20 30 EDEDLO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1S(N)(=O)=O ZINC000432981822 267310861 /nfs/dbraw/zinc/31/08/61/267310861.db2.gz AHYXORAUWAAYBX-UHFFFAOYSA-N 1 2 333.388 1.977 20 30 EDEDLO CN1C(=O)NCC12CC[NH+](Cc1c(C#N)cccc1[N+](=O)[O-])CC2 ZINC000425539818 267330727 /nfs/dbraw/zinc/33/07/27/267330727.db2.gz KPYPTYCBZFCKFJ-UHFFFAOYSA-N 1 2 329.360 1.456 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc(C#N)cc1Cl ZINC000528132723 267332607 /nfs/dbraw/zinc/33/26/07/267332607.db2.gz NKNSEORUGYPXIU-MRXNPFEDSA-N 1 2 336.823 1.634 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc(C#N)cc1Cl ZINC000528132723 267332611 /nfs/dbraw/zinc/33/26/11/267332611.db2.gz NKNSEORUGYPXIU-MRXNPFEDSA-N 1 2 336.823 1.634 20 30 EDEDLO COC(=O)C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000494917193 267366956 /nfs/dbraw/zinc/36/69/56/267366956.db2.gz ASLNPLZCDUVWKW-OAHLLOKOSA-N 1 2 331.372 1.151 20 30 EDEDLO COC(=O)C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000494917193 267366959 /nfs/dbraw/zinc/36/69/59/267366959.db2.gz ASLNPLZCDUVWKW-OAHLLOKOSA-N 1 2 331.372 1.151 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000436420132 267391636 /nfs/dbraw/zinc/39/16/36/267391636.db2.gz KWRKYKBLNCSLAM-HUUCEWRRSA-N 1 2 331.372 1.149 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000436420132 267391639 /nfs/dbraw/zinc/39/16/39/267391639.db2.gz KWRKYKBLNCSLAM-HUUCEWRRSA-N 1 2 331.372 1.149 20 30 EDEDLO Cc1cccc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)c1C#N ZINC000443322766 268053942 /nfs/dbraw/zinc/05/39/42/268053942.db2.gz UKZFYXLOPYFCPJ-UHFFFAOYSA-N 1 2 328.353 1.409 20 30 EDEDLO Cc1oc(NC(=O)CN(C)C(C)(C)C[NH+]2CCOCC2)c(C#N)c1C ZINC000412094900 268105000 /nfs/dbraw/zinc/10/50/00/268105000.db2.gz QVLIGSVZSPUZMS-UHFFFAOYSA-N 1 2 348.447 1.749 20 30 EDEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000428249386 268163220 /nfs/dbraw/zinc/16/32/20/268163220.db2.gz SSOZEUPCMGNOOQ-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1c(F)cccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000428249386 268163221 /nfs/dbraw/zinc/16/32/21/268163221.db2.gz SSOZEUPCMGNOOQ-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2CCCC2(F)F)c1=O ZINC000514952644 268180136 /nfs/dbraw/zinc/18/01/36/268180136.db2.gz YSFBYXWZAPUSSY-HNNXBMFYSA-N 1 2 337.370 1.988 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCn3cc[nH+]c3)C2)nc1 ZINC000291588363 268180389 /nfs/dbraw/zinc/18/03/89/268180389.db2.gz FZJTWEHORGISGT-CQSZACIVSA-N 1 2 326.360 1.013 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nnnn3-c3ccccc3)C2)nc1 ZINC000292080268 268182614 /nfs/dbraw/zinc/18/26/14/268182614.db2.gz DNQDUIAWBZPENM-MRXNPFEDSA-N 1 2 347.382 1.582 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nnnn3-c3ccccc3)C2)nc1 ZINC000292080268 268182617 /nfs/dbraw/zinc/18/26/17/268182617.db2.gz DNQDUIAWBZPENM-MRXNPFEDSA-N 1 2 347.382 1.582 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC(=O)NCC3CC3)CC2)cc1 ZINC000427757901 268219349 /nfs/dbraw/zinc/21/93/49/268219349.db2.gz ZCHIZFVRLCTZJG-UHFFFAOYSA-N 1 2 340.427 1.119 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)c(F)c1 ZINC000530735666 268251825 /nfs/dbraw/zinc/25/18/25/268251825.db2.gz WKHRLCONSMNOIQ-UHFFFAOYSA-N 1 2 332.316 1.240 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)o2)c1 ZINC000527056490 268264561 /nfs/dbraw/zinc/26/45/61/268264561.db2.gz LCGQCROGRVEDIM-SQWLQELKSA-N 1 2 337.383 1.694 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)o2)c1 ZINC000527056490 268264564 /nfs/dbraw/zinc/26/45/64/268264564.db2.gz LCGQCROGRVEDIM-SQWLQELKSA-N 1 2 337.383 1.694 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000459333465 268290346 /nfs/dbraw/zinc/29/03/46/268290346.db2.gz IPTMOFDSNAJMBF-UHFFFAOYSA-N 1 2 338.371 1.969 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000459333465 268290348 /nfs/dbraw/zinc/29/03/48/268290348.db2.gz IPTMOFDSNAJMBF-UHFFFAOYSA-N 1 2 338.371 1.969 20 30 EDEDLO N#Cc1cnc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000428037271 268308375 /nfs/dbraw/zinc/30/83/75/268308375.db2.gz JPUQAIVEWSJOCJ-CQSZACIVSA-N 1 2 348.834 1.934 20 30 EDEDLO N#Cc1cnc(NCc2cc[nH+]c(N3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000296494535 268312538 /nfs/dbraw/zinc/31/25/38/268312538.db2.gz LEMKQKFIVWIENR-UHFFFAOYSA-N 1 2 340.343 1.705 20 30 EDEDLO N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)cc2)c1N ZINC000428341643 268316610 /nfs/dbraw/zinc/31/66/10/268316610.db2.gz PNGYMIFWZKMGRA-AWEZNQCLSA-N 1 2 347.382 1.267 20 30 EDEDLO N#Cc1nc(NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1[N+](=O)[O-] ZINC000302724290 268325108 /nfs/dbraw/zinc/32/51/08/268325108.db2.gz MWHUGIYQQZGYJU-OAHLLOKOSA-N 1 2 349.416 1.481 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)nc1 ZINC000107443172 272921497 /nfs/dbraw/zinc/92/14/97/272921497.db2.gz HTTQGDNAKUZTOJ-GOSISDBHSA-N 1 2 336.395 1.757 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@](O)(c3cn[nH]n3)C2)c1 ZINC000284783579 274330445 /nfs/dbraw/zinc/33/04/45/274330445.db2.gz KTWSITUEVPWOLM-CQSZACIVSA-N 1 2 348.204 1.532 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@](O)(c3cn[nH]n3)C2)c1 ZINC000284783579 274330446 /nfs/dbraw/zinc/33/04/46/274330446.db2.gz KTWSITUEVPWOLM-CQSZACIVSA-N 1 2 348.204 1.532 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@](O)(c3c[nH]nn3)C2)c1 ZINC000284783579 274330449 /nfs/dbraw/zinc/33/04/49/274330449.db2.gz KTWSITUEVPWOLM-CQSZACIVSA-N 1 2 348.204 1.532 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@](O)(c3c[nH]nn3)C2)c1 ZINC000284783579 274330450 /nfs/dbraw/zinc/33/04/50/274330450.db2.gz KTWSITUEVPWOLM-CQSZACIVSA-N 1 2 348.204 1.532 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367977637 275388484 /nfs/dbraw/zinc/38/84/84/275388484.db2.gz QVRXYGXYEYTNHG-GOSISDBHSA-N 1 2 339.483 1.696 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000367986774 277712953 /nfs/dbraw/zinc/71/29/53/277712953.db2.gz KFIBPHVAIQTTTK-IBGZPJMESA-N 1 2 344.480 1.535 20 30 EDEDLO CC(=O)Nc1ccc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1 ZINC000330360743 278162237 /nfs/dbraw/zinc/16/22/37/278162237.db2.gz XNFKRMLRWGOWJN-CVEARBPZSA-N 1 2 332.404 1.248 20 30 EDEDLO CC(=O)Nc1ccc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1 ZINC000330360743 278162238 /nfs/dbraw/zinc/16/22/38/278162238.db2.gz XNFKRMLRWGOWJN-CVEARBPZSA-N 1 2 332.404 1.248 20 30 EDEDLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000330360743 278162241 /nfs/dbraw/zinc/16/22/41/278162241.db2.gz XNFKRMLRWGOWJN-CVEARBPZSA-N 1 2 332.404 1.248 20 30 EDEDLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000330360743 278162243 /nfs/dbraw/zinc/16/22/43/278162243.db2.gz XNFKRMLRWGOWJN-CVEARBPZSA-N 1 2 332.404 1.248 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)CCCCC1 ZINC000330707069 303145307 /nfs/dbraw/zinc/14/53/07/303145307.db2.gz UMDQNLFZFXISQA-WCQYABFASA-N 1 2 333.354 1.717 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)CCCCC1 ZINC000330707069 303145309 /nfs/dbraw/zinc/14/53/09/303145309.db2.gz UMDQNLFZFXISQA-WCQYABFASA-N 1 2 333.354 1.717 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000448773275 447346354 /nfs/dbraw/zinc/34/63/54/447346354.db2.gz GYRYSNUMCJMXNY-INIZCTEOSA-N 1 2 334.445 1.133 20 30 EDEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000414896433 447348050 /nfs/dbraw/zinc/34/80/50/447348050.db2.gz BRIUKRQUIBHQDW-JKSUJKDBSA-N 1 2 349.394 1.901 20 30 EDEDLO Cn1cc(C[NH+]2CCN(Cc3cnc4ccc(C#N)cn34)CC2)cn1 ZINC000536683388 306025142 /nfs/dbraw/zinc/02/51/42/306025142.db2.gz GZUPVRFXQNGFGM-UHFFFAOYSA-N 1 2 335.415 1.257 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000546003748 306089515 /nfs/dbraw/zinc/08/95/15/306089515.db2.gz YYPDHQNSGGHSRX-UHFFFAOYSA-N 1 2 341.371 1.298 20 30 EDEDLO C=CCC[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)C(=O)OCC ZINC000449659175 447383088 /nfs/dbraw/zinc/38/30/88/447383088.db2.gz VGLHQUAHWBMWDZ-HNNXBMFYSA-N 1 2 330.384 1.770 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCN1C(=O)c1cnn(C)c1 ZINC000449764150 447391245 /nfs/dbraw/zinc/39/12/45/447391245.db2.gz ZAMWWHUSPCFIAK-LBPRGKRZSA-N 1 2 329.429 1.700 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCN1C(=O)c1cnn(C)c1 ZINC000449764150 447391251 /nfs/dbraw/zinc/39/12/51/447391251.db2.gz ZAMWWHUSPCFIAK-LBPRGKRZSA-N 1 2 329.429 1.700 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000377985409 447394701 /nfs/dbraw/zinc/39/47/01/447394701.db2.gz DWUBBANNFASHQO-FQEVSTJZSA-N 1 2 342.439 1.208 20 30 EDEDLO CNC(=O)C[N@@H+]1CCCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000378347735 447420085 /nfs/dbraw/zinc/42/00/85/447420085.db2.gz DQZMBKNEPZJAEA-UHFFFAOYSA-N 1 2 344.459 1.623 20 30 EDEDLO CNC(=O)C[N@H+]1CCCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000378347735 447420090 /nfs/dbraw/zinc/42/00/90/447420090.db2.gz DQZMBKNEPZJAEA-UHFFFAOYSA-N 1 2 344.459 1.623 20 30 EDEDLO C=CCC[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(=O)OCC ZINC000456612244 447424190 /nfs/dbraw/zinc/42/41/90/447424190.db2.gz RVCROIROJLBPAJ-CVEARBPZSA-N 1 2 338.448 1.644 20 30 EDEDLO C=CCC[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(=O)OCC ZINC000456612244 447424198 /nfs/dbraw/zinc/42/41/98/447424198.db2.gz RVCROIROJLBPAJ-CVEARBPZSA-N 1 2 338.448 1.644 20 30 EDEDLO C#CCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000073085950 441291586 /nfs/dbraw/zinc/29/15/86/441291586.db2.gz GJZRMTYTZDNONV-UHFFFAOYSA-N 1 2 336.395 1.964 20 30 EDEDLO CC1CCN(C(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000023257805 441292708 /nfs/dbraw/zinc/29/27/08/441292708.db2.gz RWZKZWOMUJPHDO-UHFFFAOYSA-N 1 2 340.471 1.934 20 30 EDEDLO CC1CCN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000023257805 441292714 /nfs/dbraw/zinc/29/27/14/441292714.db2.gz RWZKZWOMUJPHDO-UHFFFAOYSA-N 1 2 340.471 1.934 20 30 EDEDLO COC(=O)c1oc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1C ZINC000073651460 441338914 /nfs/dbraw/zinc/33/89/14/441338914.db2.gz ATTGSIIIXKCDCZ-UHFFFAOYSA-N 1 2 340.383 1.964 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000107432429 441416755 /nfs/dbraw/zinc/41/67/55/441416755.db2.gz XMCUTQDYFLQSMV-KRWDZBQOSA-N 1 2 336.395 1.584 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000107432429 441416759 /nfs/dbraw/zinc/41/67/59/441416759.db2.gz XMCUTQDYFLQSMV-KRWDZBQOSA-N 1 2 336.395 1.584 20 30 EDEDLO CCCCN(CC)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000074158024 441400606 /nfs/dbraw/zinc/40/06/06/441400606.db2.gz FYCZUOVHNXZDBE-UHFFFAOYSA-N 1 2 329.448 1.724 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nnn(Cc3cccs3)c2=S)CC1 ZINC000074171391 441403351 /nfs/dbraw/zinc/40/33/51/441403351.db2.gz UKZZIBODJYZKAQ-UHFFFAOYSA-N 1 2 334.474 1.127 20 30 EDEDLO C=CCNC(=O)[C@H](C)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000027545792 441404772 /nfs/dbraw/zinc/40/47/72/441404772.db2.gz ORNYQIAEKVWXTC-HNNXBMFYSA-N 1 2 331.464 1.721 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+](CC(N)=O)C3CCCC3)o2)c1 ZINC000075714862 441551983 /nfs/dbraw/zinc/55/19/83/441551983.db2.gz RNCPJUIRSUKLCH-UHFFFAOYSA-N 1 2 325.372 1.838 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+](CC(N)=O)C3CCCC3)o2)c1 ZINC000075714862 441551985 /nfs/dbraw/zinc/55/19/85/441551985.db2.gz RNCPJUIRSUKLCH-UHFFFAOYSA-N 1 2 325.372 1.838 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CSCC(F)(F)F ZINC000090499587 441631660 /nfs/dbraw/zinc/63/16/60/441631660.db2.gz YGIOVKPETRJDBS-UHFFFAOYSA-N 1 2 339.383 1.356 20 30 EDEDLO C=CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000067400046 441635880 /nfs/dbraw/zinc/63/58/80/441635880.db2.gz GAJBTVNKZWCAGC-OAHLLOKOSA-N 1 2 347.440 1.562 20 30 EDEDLO C=CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000067400046 441635886 /nfs/dbraw/zinc/63/58/86/441635886.db2.gz GAJBTVNKZWCAGC-OAHLLOKOSA-N 1 2 347.440 1.562 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000077214929 441734850 /nfs/dbraw/zinc/73/48/50/441734850.db2.gz MQXDKHMNPCQKQX-UHFFFAOYSA-N 1 2 339.399 1.577 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000077214929 441734855 /nfs/dbraw/zinc/73/48/55/441734855.db2.gz MQXDKHMNPCQKQX-UHFFFAOYSA-N 1 2 339.399 1.577 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)C(N)=O)cc1 ZINC000115596395 441763196 /nfs/dbraw/zinc/76/31/96/441763196.db2.gz POPOTTIYCHPSHU-SFHVURJKSA-N 1 2 335.411 1.870 20 30 EDEDLO C=CCCOCCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000121941576 441815888 /nfs/dbraw/zinc/81/58/88/441815888.db2.gz APFPGSGWDGKZBG-UHFFFAOYSA-N 1 2 334.420 1.310 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000068327568 441775475 /nfs/dbraw/zinc/77/54/75/441775475.db2.gz HDLGVIOHQQJEFB-INIZCTEOSA-N 1 2 346.500 1.799 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000068327568 441775480 /nfs/dbraw/zinc/77/54/80/441775480.db2.gz HDLGVIOHQQJEFB-INIZCTEOSA-N 1 2 346.500 1.799 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000138995969 441802286 /nfs/dbraw/zinc/80/22/86/441802286.db2.gz DSQFPOMGBXNSHR-CJNGLKHVSA-N 1 2 341.415 1.375 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000138995969 441802291 /nfs/dbraw/zinc/80/22/91/441802291.db2.gz DSQFPOMGBXNSHR-CJNGLKHVSA-N 1 2 341.415 1.375 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)c2ccco2)CC1 ZINC000092618187 441813261 /nfs/dbraw/zinc/81/32/61/441813261.db2.gz IAFMUCVNZWGHND-HOTGVXAUSA-N 1 2 332.448 1.965 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccco2)CC1 ZINC000092618187 441813267 /nfs/dbraw/zinc/81/32/67/441813267.db2.gz IAFMUCVNZWGHND-HOTGVXAUSA-N 1 2 332.448 1.965 20 30 EDEDLO CCC(CC)[C@@H](CNS(=O)(=O)CCCCC#N)[NH+]1CCOCC1 ZINC000068877009 441863062 /nfs/dbraw/zinc/86/30/62/441863062.db2.gz ARCLHCHDADHYFC-MRXNPFEDSA-N 1 2 345.509 1.737 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078623295 441954799 /nfs/dbraw/zinc/95/47/99/441954799.db2.gz DGGWKCWJVXYUMD-GFCCVEGCSA-N 1 2 337.383 1.037 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078623295 441954803 /nfs/dbraw/zinc/95/48/03/441954803.db2.gz DGGWKCWJVXYUMD-GFCCVEGCSA-N 1 2 337.383 1.037 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)c(F)c1 ZINC000151052451 441996831 /nfs/dbraw/zinc/99/68/31/441996831.db2.gz MWXVVHFROCBGDU-UHFFFAOYSA-N 1 2 348.403 1.751 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2CCC(C)(C)CC2)CC1 ZINC000126217974 442089905 /nfs/dbraw/zinc/08/99/05/442089905.db2.gz FIIJVHLBVZLFII-UHFFFAOYSA-N 1 2 347.503 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2CCC(C)(C)CC2)CC1 ZINC000126217974 442089908 /nfs/dbraw/zinc/08/99/08/442089908.db2.gz FIIJVHLBVZLFII-UHFFFAOYSA-N 1 2 347.503 1.877 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175883055 442140363 /nfs/dbraw/zinc/14/03/63/442140363.db2.gz ROTQXPVXMOBLQV-NWPKHEMWSA-N 1 2 347.463 1.015 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175883055 442140364 /nfs/dbraw/zinc/14/03/64/442140364.db2.gz ROTQXPVXMOBLQV-NWPKHEMWSA-N 1 2 347.463 1.015 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121154715 442184243 /nfs/dbraw/zinc/18/42/43/442184243.db2.gz RWAXRCIQPCNCJD-OAHLLOKOSA-N 1 2 346.475 1.662 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121154715 442184248 /nfs/dbraw/zinc/18/42/48/442184248.db2.gz RWAXRCIQPCNCJD-OAHLLOKOSA-N 1 2 346.475 1.662 20 30 EDEDLO CC(C)n1cc[nH+]c1CN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000176366619 442214465 /nfs/dbraw/zinc/21/44/65/442214465.db2.gz RCTKPLZDNVBQAZ-AWEZNQCLSA-N 1 2 325.420 1.836 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)CC1 ZINC000127975623 442236788 /nfs/dbraw/zinc/23/67/88/442236788.db2.gz PKEAQJNGDXCGTH-UHFFFAOYSA-N 1 2 349.456 1.283 20 30 EDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000170778305 442262661 /nfs/dbraw/zinc/26/26/61/442262661.db2.gz YXWUYPWONRIKLI-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000170778305 442262666 /nfs/dbraw/zinc/26/26/66/442262666.db2.gz YXWUYPWONRIKLI-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO C[N@H+](CC(=O)NCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000171732844 442374859 /nfs/dbraw/zinc/37/48/59/442374859.db2.gz HKZUCWSGHQDSHK-GXTWGEPZSA-N 1 2 328.199 1.523 20 30 EDEDLO C[N@@H+](CC(=O)NCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000171732844 442374861 /nfs/dbraw/zinc/37/48/61/442374861.db2.gz HKZUCWSGHQDSHK-GXTWGEPZSA-N 1 2 328.199 1.523 20 30 EDEDLO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000155235745 442383390 /nfs/dbraw/zinc/38/33/90/442383390.db2.gz XRXDTLCVCQMXSS-AWEZNQCLSA-N 1 2 347.463 1.595 20 30 EDEDLO C#CCCCCC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179789242 442503821 /nfs/dbraw/zinc/50/38/21/442503821.db2.gz MBBXLAKTYWINID-UHFFFAOYSA-N 1 2 337.464 1.849 20 30 EDEDLO CCOC(=O)c1csc(C2CC[NH+](CC(=O)NCC#N)CC2)n1 ZINC000191566292 442465518 /nfs/dbraw/zinc/46/55/18/442465518.db2.gz XSNLNURLEUUGCH-UHFFFAOYSA-N 1 2 336.417 1.139 20 30 EDEDLO CC(=O)NC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156684741 442509225 /nfs/dbraw/zinc/50/92/25/442509225.db2.gz RETCEOFVNSWSSF-INIZCTEOSA-N 1 2 349.456 1.180 20 30 EDEDLO CC(=O)NC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156684741 442509230 /nfs/dbraw/zinc/50/92/30/442509230.db2.gz RETCEOFVNSWSSF-INIZCTEOSA-N 1 2 349.456 1.180 20 30 EDEDLO Cc1cc(C#N)ccc1CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000186159651 442475756 /nfs/dbraw/zinc/47/57/56/442475756.db2.gz GHGAZNMKAAMFTK-HNNXBMFYSA-N 1 2 326.444 1.651 20 30 EDEDLO COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1C#N ZINC000134975128 442542476 /nfs/dbraw/zinc/54/24/76/442542476.db2.gz JKIYRIDJLPWPGO-QGZVFWFLSA-N 1 2 329.400 1.390 20 30 EDEDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)CC2(C#N)CC2)C[C@@H](C)O1 ZINC000180396449 442594417 /nfs/dbraw/zinc/59/44/17/442594417.db2.gz DAQLQWMORCGOKF-CHWSQXEVSA-N 1 2 329.466 1.097 20 30 EDEDLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)CC2(C#N)CC2)C[C@H](C)O1 ZINC000180396415 442594738 /nfs/dbraw/zinc/59/47/38/442594738.db2.gz DAQLQWMORCGOKF-BETUJISGSA-N 1 2 329.466 1.097 20 30 EDEDLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)CC2(C#N)CC2)C[C@H](C)O1 ZINC000180396415 442594740 /nfs/dbraw/zinc/59/47/40/442594740.db2.gz DAQLQWMORCGOKF-BETUJISGSA-N 1 2 329.466 1.097 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000192219593 442614882 /nfs/dbraw/zinc/61/48/82/442614882.db2.gz RPTPIKPLHHPRAP-ZDUSSCGKSA-N 1 2 339.317 1.858 20 30 EDEDLO C#CC[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000192219593 442614886 /nfs/dbraw/zinc/61/48/86/442614886.db2.gz RPTPIKPLHHPRAP-ZDUSSCGKSA-N 1 2 339.317 1.858 20 30 EDEDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193773055 442784673 /nfs/dbraw/zinc/78/46/73/442784673.db2.gz NZGTWVIWTPKSNG-OAHLLOKOSA-N 1 2 341.459 1.913 20 30 EDEDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000268205177 442899287 /nfs/dbraw/zinc/89/92/87/442899287.db2.gz GUMXELRZBQGXSO-MRXNPFEDSA-N 1 2 331.445 1.945 20 30 EDEDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000268205177 442899292 /nfs/dbraw/zinc/89/92/92/442899292.db2.gz GUMXELRZBQGXSO-MRXNPFEDSA-N 1 2 331.445 1.945 20 30 EDEDLO C=CCN(CC=C)C(=O)CN1CCc2[nH+]c[nH]c2[C@@H]1c1ccnn1C ZINC000625501939 450397110 /nfs/dbraw/zinc/39/71/10/450397110.db2.gz JMXBRNCPEPHYRT-SFHVURJKSA-N 1 2 340.431 1.291 20 30 EDEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(C(N)=O)CC1 ZINC000183814775 442966923 /nfs/dbraw/zinc/96/69/23/442966923.db2.gz XCIXQFMKJJJTCI-NSHDSACASA-N 1 2 332.429 1.627 20 30 EDEDLO Cc1nc(C(F)(F)F)c(CO[NH+]=C(N)CN2CCOCC2)s1 ZINC000184201538 443001582 /nfs/dbraw/zinc/00/15/82/443001582.db2.gz ZMAVQAMWANEMDI-UHFFFAOYSA-N 1 2 338.355 1.591 20 30 EDEDLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000185112877 443140297 /nfs/dbraw/zinc/14/02/97/443140297.db2.gz COYHIMXFEXPIIH-CWKPULSASA-N 1 2 327.837 1.849 20 30 EDEDLO C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000185112877 443140301 /nfs/dbraw/zinc/14/03/01/443140301.db2.gz COYHIMXFEXPIIH-CWKPULSASA-N 1 2 327.837 1.849 20 30 EDEDLO CO/N=C/c1ccc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000184948435 443104860 /nfs/dbraw/zinc/10/48/60/443104860.db2.gz HZIYBMMVENAXSZ-DEDYPNTBSA-N 1 2 339.399 1.728 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000185600895 443225492 /nfs/dbraw/zinc/22/54/92/443225492.db2.gz PKTFZKVVUFGVPG-INIZCTEOSA-N 1 2 326.444 1.709 20 30 EDEDLO C#CC[NH+]1CCN(CN2C[C@@H](c3cccc(OC)c3)CC2=O)CC1 ZINC000185643657 443231965 /nfs/dbraw/zinc/23/19/65/443231965.db2.gz AHRRSDUBFKUXDW-KRWDZBQOSA-N 1 2 327.428 1.219 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245598701 443239385 /nfs/dbraw/zinc/23/93/85/443239385.db2.gz DPPPOZISFZKMIY-ZBFHGGJFSA-N 1 2 331.416 1.330 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245598701 443239389 /nfs/dbraw/zinc/23/93/89/443239389.db2.gz DPPPOZISFZKMIY-ZBFHGGJFSA-N 1 2 331.416 1.330 20 30 EDEDLO C[C@H](c1cccc(NC(=O)N2CCO[C@@H](C#N)C2)c1)[NH+]1CCOCC1 ZINC000264406716 443280200 /nfs/dbraw/zinc/28/02/00/443280200.db2.gz QFKBBOCJOJHRMS-PBHICJAKSA-N 1 2 344.415 1.836 20 30 EDEDLO C[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+]1CCOCC1 ZINC000269607889 443362697 /nfs/dbraw/zinc/36/26/97/443362697.db2.gz AHUBHXKENRNVPJ-AWEZNQCLSA-N 1 2 328.416 1.567 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000269613703 443365839 /nfs/dbraw/zinc/36/58/39/443365839.db2.gz NDUYANZKMDKRRB-IRXDYDNUSA-N 1 2 329.448 1.576 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000269613703 443365844 /nfs/dbraw/zinc/36/58/44/443365844.db2.gz NDUYANZKMDKRRB-IRXDYDNUSA-N 1 2 329.448 1.576 20 30 EDEDLO CCOc1ccc(C(C)=O)cc1CO[NH+]=C(N)CN1CCOCC1 ZINC000264677017 443369829 /nfs/dbraw/zinc/36/98/29/443369829.db2.gz AZGCCTOWTHKRSN-UHFFFAOYSA-N 1 2 335.404 1.409 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)COCc1ccccc1 ZINC000267183404 443370663 /nfs/dbraw/zinc/37/06/63/443370663.db2.gz KVXGQKVWFIMLQM-IBGZPJMESA-N 1 2 347.459 1.112 20 30 EDEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@H](O)COCc1ccccc1 ZINC000267183404 443370664 /nfs/dbraw/zinc/37/06/64/443370664.db2.gz KVXGQKVWFIMLQM-IBGZPJMESA-N 1 2 347.459 1.112 20 30 EDEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@H](O)COCc1ccccc1 ZINC000267183404 443370667 /nfs/dbraw/zinc/37/06/67/443370667.db2.gz KVXGQKVWFIMLQM-IBGZPJMESA-N 1 2 347.459 1.112 20 30 EDEDLO C#CCNC(=O)c1ccc(N2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000267188423 443371418 /nfs/dbraw/zinc/37/14/18/443371418.db2.gz GVHUGVISSAMZEH-UHFFFAOYSA-N 1 2 335.411 1.162 20 30 EDEDLO N#CC1(CS(=O)(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000272814293 443455392 /nfs/dbraw/zinc/45/53/92/443455392.db2.gz DAULTQXXXXYDBM-INIZCTEOSA-N 1 2 349.456 1.111 20 30 EDEDLO N#CC1(CS(=O)(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000272814293 443455396 /nfs/dbraw/zinc/45/53/96/443455396.db2.gz DAULTQXXXXYDBM-INIZCTEOSA-N 1 2 349.456 1.111 20 30 EDEDLO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ncnn1CC(F)F ZINC000278834779 443456106 /nfs/dbraw/zinc/45/61/06/443456106.db2.gz DLUDXTFCXRRTLL-UHFFFAOYSA-N 1 2 348.357 1.875 20 30 EDEDLO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ncnn1CC(F)F ZINC000278834779 443456109 /nfs/dbraw/zinc/45/61/09/443456109.db2.gz DLUDXTFCXRRTLL-UHFFFAOYSA-N 1 2 348.357 1.875 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 ZINC000271410246 443503390 /nfs/dbraw/zinc/50/33/90/443503390.db2.gz KDNXRXPONYTGKC-UHFFFAOYSA-N 1 2 334.441 1.341 20 30 EDEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000271579849 443506187 /nfs/dbraw/zinc/50/61/87/443506187.db2.gz QUPGJTJPQUOYCO-KRWDZBQOSA-N 1 2 345.443 1.855 20 30 EDEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000271579849 443506190 /nfs/dbraw/zinc/50/61/90/443506190.db2.gz QUPGJTJPQUOYCO-KRWDZBQOSA-N 1 2 345.443 1.855 20 30 EDEDLO Cn1cc([C@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CCO2)cn1 ZINC000267645040 443525672 /nfs/dbraw/zinc/52/56/72/443525672.db2.gz WORFABFZRBNIKF-QGZVFWFLSA-N 1 2 339.399 1.694 20 30 EDEDLO Cn1cc([C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CCO2)cn1 ZINC000267645040 443525674 /nfs/dbraw/zinc/52/56/74/443525674.db2.gz WORFABFZRBNIKF-QGZVFWFLSA-N 1 2 339.399 1.694 20 30 EDEDLO COc1ccc(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1OCCCC#N ZINC000271164731 443493789 /nfs/dbraw/zinc/49/37/89/443493789.db2.gz KARCMQMAFBWPLU-INIZCTEOSA-N 1 2 333.388 1.064 20 30 EDEDLO COc1ccc(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1OCCCC#N ZINC000271164731 443493792 /nfs/dbraw/zinc/49/37/92/443493792.db2.gz KARCMQMAFBWPLU-INIZCTEOSA-N 1 2 333.388 1.064 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2CC(=C)C)CC1 ZINC000283397846 443622617 /nfs/dbraw/zinc/62/26/17/443622617.db2.gz WJEXNBORKCSYNM-INIZCTEOSA-N 1 2 347.463 1.333 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000279668461 443618456 /nfs/dbraw/zinc/61/84/56/443618456.db2.gz DUHUQHOFRXSARF-KRWDZBQOSA-N 1 2 344.459 1.586 20 30 EDEDLO COc1c[nH+]c(N2CCC(C#N)CC2)nc1N1CCC(C#N)CC1 ZINC000286159093 443658167 /nfs/dbraw/zinc/65/81/67/443658167.db2.gz HZSRUNKGBHXMNK-UHFFFAOYSA-N 1 2 326.404 1.965 20 30 EDEDLO C#C[C@@H](NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)C(C)C ZINC000286203838 443667739 /nfs/dbraw/zinc/66/77/39/443667739.db2.gz OCMKPNYRNLANLW-IIDMSEBBSA-N 1 2 342.443 1.636 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000283605959 443672135 /nfs/dbraw/zinc/67/21/35/443672135.db2.gz VCBZERFSHLCZKW-UHFFFAOYSA-N 1 2 328.416 1.886 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)o1 ZINC000286513326 443715056 /nfs/dbraw/zinc/71/50/56/443715056.db2.gz FEEIBAHSJHCTJF-UHFFFAOYSA-N 1 2 332.385 1.625 20 30 EDEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000298249992 443730220 /nfs/dbraw/zinc/73/02/20/443730220.db2.gz DJDIUOFZLSLFKN-UHFFFAOYSA-N 1 2 345.443 1.374 20 30 EDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000298259425 443732847 /nfs/dbraw/zinc/73/28/47/443732847.db2.gz VHHNUSXSIZJEEY-KRWDZBQOSA-N 1 2 326.375 1.800 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000298259425 443732851 /nfs/dbraw/zinc/73/28/51/443732851.db2.gz VHHNUSXSIZJEEY-KRWDZBQOSA-N 1 2 326.375 1.800 20 30 EDEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000298287768 443738113 /nfs/dbraw/zinc/73/81/13/443738113.db2.gz OBUZMAVLTIJJAH-UHFFFAOYSA-N 1 2 340.427 1.946 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000283855245 443743983 /nfs/dbraw/zinc/74/39/83/443743983.db2.gz KMDRCTDQHYILSN-CQSZACIVSA-N 1 2 342.399 1.269 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000284806450 443789521 /nfs/dbraw/zinc/78/95/21/443789521.db2.gz IMHHGHRWSGTCCK-DZGCQCFKSA-N 1 2 335.452 1.480 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000284806450 443789522 /nfs/dbraw/zinc/78/95/22/443789522.db2.gz IMHHGHRWSGTCCK-DZGCQCFKSA-N 1 2 335.452 1.480 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292387482 443792352 /nfs/dbraw/zinc/79/23/52/443792352.db2.gz XWGBUTCVFRDSFA-AWEZNQCLSA-N 1 2 338.429 1.312 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000292387482 443792354 /nfs/dbraw/zinc/79/23/54/443792354.db2.gz XWGBUTCVFRDSFA-AWEZNQCLSA-N 1 2 338.429 1.312 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)O[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000283881930 443753784 /nfs/dbraw/zinc/75/37/84/443753784.db2.gz CRWXSWWASIZTCG-IINYFYTJSA-N 1 2 334.376 1.440 20 30 EDEDLO Cc1nc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)ccc1C#N ZINC000291575270 443762220 /nfs/dbraw/zinc/76/22/20/443762220.db2.gz FKNOYOXKVAUPHX-GOSISDBHSA-N 1 2 335.411 1.610 20 30 EDEDLO Cc1c(NC(=O)[C@@H](C)O[NH+]=C(N)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284083364 443763822 /nfs/dbraw/zinc/76/38/22/443763822.db2.gz KNPRNSSQCZGHBU-ZWNOBZJWSA-N 1 2 336.348 1.698 20 30 EDEDLO NC(=[NH+]OCC(=O)Nc1ccccc1N1CCCC1=O)[C@H]1CCCO1 ZINC000284101713 443765903 /nfs/dbraw/zinc/76/59/03/443765903.db2.gz LFTJSQHYOCORQV-CQSZACIVSA-N 1 2 346.387 1.220 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2=O)cc1 ZINC000281084119 443813852 /nfs/dbraw/zinc/81/38/52/443813852.db2.gz FHMREXWOBBTJCJ-INIZCTEOSA-N 1 2 337.383 1.526 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2=O)cc1 ZINC000281084119 443813856 /nfs/dbraw/zinc/81/38/56/443813856.db2.gz FHMREXWOBBTJCJ-INIZCTEOSA-N 1 2 337.383 1.526 20 30 EDEDLO C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000288324743 443845231 /nfs/dbraw/zinc/84/52/31/443845231.db2.gz LGOVUIBQULRMQL-KGLIPLIRSA-N 1 2 337.445 1.087 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(Cl)cc2)C1=O ZINC000281348065 443886184 /nfs/dbraw/zinc/88/61/84/443886184.db2.gz MYIBCPSMAACXEE-HNNXBMFYSA-N 1 2 335.835 1.675 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(Cl)cc2)C1=O ZINC000281348065 443886187 /nfs/dbraw/zinc/88/61/87/443886187.db2.gz MYIBCPSMAACXEE-HNNXBMFYSA-N 1 2 335.835 1.675 20 30 EDEDLO CC(C)(C#N)c1ccc(C(=O)NCCC[N@@H+]2CCNC(=O)C2)cc1 ZINC000281375799 443893771 /nfs/dbraw/zinc/89/37/71/443893771.db2.gz YCJYSNSZZYIFJF-UHFFFAOYSA-N 1 2 328.416 1.039 20 30 EDEDLO CC(C)(C#N)c1ccc(C(=O)NCCC[N@H+]2CCNC(=O)C2)cc1 ZINC000281375799 443893779 /nfs/dbraw/zinc/89/37/79/443893779.db2.gz YCJYSNSZZYIFJF-UHFFFAOYSA-N 1 2 328.416 1.039 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3ccc(C)cc3)C2=O)C1=O ZINC000281381878 443895632 /nfs/dbraw/zinc/89/56/32/443895632.db2.gz PBYPXVAOLOKWTB-IRXDYDNUSA-N 1 2 327.428 1.819 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3ccc(C)cc3)C2=O)C1=O ZINC000281381878 443895635 /nfs/dbraw/zinc/89/56/35/443895635.db2.gz PBYPXVAOLOKWTB-IRXDYDNUSA-N 1 2 327.428 1.819 20 30 EDEDLO C#CCC(C)(C)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000281292408 443870917 /nfs/dbraw/zinc/87/09/17/443870917.db2.gz STDSOPSEQMHKLN-GJZGRUSLSA-N 1 2 334.439 1.840 20 30 EDEDLO C#CCN(CC#N)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000281542346 443939869 /nfs/dbraw/zinc/93/98/69/443939869.db2.gz ZOTKKXHKQQCJBN-UHFFFAOYSA-N 1 2 344.846 1.443 20 30 EDEDLO N#CCCOCC[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000293345664 443990483 /nfs/dbraw/zinc/99/04/83/443990483.db2.gz DKHCTTCDABLVGY-UHFFFAOYSA-N 1 2 340.427 1.785 20 30 EDEDLO CC#CC[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000293352395 443991826 /nfs/dbraw/zinc/99/18/26/443991826.db2.gz ZKQSDZPQXSXAHB-UHFFFAOYSA-N 1 2 330.388 1.199 20 30 EDEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000293352395 443991829 /nfs/dbraw/zinc/99/18/29/443991829.db2.gz ZKQSDZPQXSXAHB-UHFFFAOYSA-N 1 2 330.388 1.199 20 30 EDEDLO CN(Cc1cccc(C#N)c1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277496309 443996026 /nfs/dbraw/zinc/99/60/26/443996026.db2.gz QXDAMRUCQJDYRJ-UHFFFAOYSA-N 1 2 328.416 1.564 20 30 EDEDLO Cc1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1C#N ZINC000277806557 444045010 /nfs/dbraw/zinc/04/50/10/444045010.db2.gz HOTCEXPYRMZXMR-UHFFFAOYSA-N 1 2 342.424 1.773 20 30 EDEDLO N#CCOc1cccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000277861589 444053112 /nfs/dbraw/zinc/05/31/12/444053112.db2.gz ALDBQBKCIHHOFH-UHFFFAOYSA-N 1 2 330.388 1.575 20 30 EDEDLO N#Cc1csc(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)n1 ZINC000562078507 321046240 /nfs/dbraw/zinc/04/62/40/321046240.db2.gz KEMRNWVLHNQWGH-CQSZACIVSA-N 1 2 327.413 1.691 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2[nH]c1=S ZINC000285743638 444093950 /nfs/dbraw/zinc/09/39/50/444093950.db2.gz PKLGDBAPTSEFPL-LBPRGKRZSA-N 1 2 344.440 1.435 20 30 EDEDLO C=CCn1c(N2CC[NH+](CC(=O)NC3CC3)CC2)nnc1C(C)(C)C ZINC000282151484 444098397 /nfs/dbraw/zinc/09/83/97/444098397.db2.gz CDMAASXBHZZGAR-UHFFFAOYSA-N 1 2 346.479 1.162 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000289301911 444101909 /nfs/dbraw/zinc/10/19/09/444101909.db2.gz BQDQIBOSCJZXGP-UHFFFAOYSA-N 1 2 341.455 1.223 20 30 EDEDLO C#CC[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000285779765 444106539 /nfs/dbraw/zinc/10/65/39/444106539.db2.gz SMUWSZOQHQXLCQ-UHFFFAOYSA-N 1 2 342.439 1.924 20 30 EDEDLO C#CC[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000285779765 444106540 /nfs/dbraw/zinc/10/65/40/444106540.db2.gz SMUWSZOQHQXLCQ-UHFFFAOYSA-N 1 2 342.439 1.924 20 30 EDEDLO COc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1C#N ZINC000282300216 444142519 /nfs/dbraw/zinc/14/25/19/444142519.db2.gz MHGKRADLCGUIII-CQSZACIVSA-N 1 2 348.410 1.939 20 30 EDEDLO COc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)ccc1C#N ZINC000282300216 444142522 /nfs/dbraw/zinc/14/25/22/444142522.db2.gz MHGKRADLCGUIII-CQSZACIVSA-N 1 2 348.410 1.939 20 30 EDEDLO CCc1noc(C)c1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000573498082 321457603 /nfs/dbraw/zinc/45/76/03/321457603.db2.gz UQYHRSNYOGZTTM-UHFFFAOYSA-N 1 2 342.399 1.459 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000285938960 444158071 /nfs/dbraw/zinc/15/80/71/444158071.db2.gz URHNMYJNMPREGC-WBVHZDCISA-N 1 2 343.427 1.453 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000299739191 444128689 /nfs/dbraw/zinc/12/86/89/444128689.db2.gz LRDDXJTUMKRHKZ-KRWDZBQOSA-N 1 2 331.391 1.549 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000289821817 444207798 /nfs/dbraw/zinc/20/77/98/444207798.db2.gz OCLZPRFYACZLKL-OLMNPRSZSA-N 1 2 343.427 1.567 20 30 EDEDLO C[C@@]1(C2CC2)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000625531513 450412664 /nfs/dbraw/zinc/41/26/64/450412664.db2.gz XIEQWSBIDIYZKU-FQEVSTJZSA-N 1 2 338.407 1.787 20 30 EDEDLO C[C@@]1(C2CC2)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000625531513 450412666 /nfs/dbraw/zinc/41/26/66/450412666.db2.gz XIEQWSBIDIYZKU-FQEVSTJZSA-N 1 2 338.407 1.787 20 30 EDEDLO C#CCOc1ccc(CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000296424705 444228301 /nfs/dbraw/zinc/22/83/01/444228301.db2.gz NCWQAARJKNMTPI-HOTGVXAUSA-N 1 2 345.443 1.607 20 30 EDEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC[C@@H]1COc2ccccc2O1 ZINC000328771302 444347627 /nfs/dbraw/zinc/34/76/27/444347627.db2.gz GWHCIXAKRHSSDR-MGPQQGTHSA-N 1 2 345.399 1.834 20 30 EDEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC[C@@H]1COc2ccccc2O1 ZINC000328771302 444347630 /nfs/dbraw/zinc/34/76/30/444347630.db2.gz GWHCIXAKRHSSDR-MGPQQGTHSA-N 1 2 345.399 1.834 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CSC2(C)C)CC1 ZINC000328790821 444353729 /nfs/dbraw/zinc/35/37/29/444353729.db2.gz YZEVFJNQNDNYKD-CYBMUJFWSA-N 1 2 342.509 1.280 20 30 EDEDLO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC000328795032 444355543 /nfs/dbraw/zinc/35/55/43/444355543.db2.gz SWBXNNLVWNFSHI-KGLIPLIRSA-N 1 2 334.468 1.140 20 30 EDEDLO N#CC1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000340089379 444360129 /nfs/dbraw/zinc/36/01/29/444360129.db2.gz CAOMJCOAIXOZCT-UHFFFAOYSA-N 1 2 341.415 1.060 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000297755399 444329624 /nfs/dbraw/zinc/32/96/24/444329624.db2.gz PBXNZXBBTCTVHL-INIZCTEOSA-N 1 2 329.444 1.754 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000297755399 444329625 /nfs/dbraw/zinc/32/96/25/444329625.db2.gz PBXNZXBBTCTVHL-INIZCTEOSA-N 1 2 329.444 1.754 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CCCO2)cn1 ZINC000328637025 444406188 /nfs/dbraw/zinc/40/61/88/444406188.db2.gz OLEPBMYRCYKZSE-SOUVJXGZSA-N 1 2 339.415 1.015 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NC[C@H]2CCCO2)cn1 ZINC000328637025 444406190 /nfs/dbraw/zinc/40/61/90/444406190.db2.gz OLEPBMYRCYKZSE-SOUVJXGZSA-N 1 2 339.415 1.015 20 30 EDEDLO CCn1cnnc1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ncccn2)C1 ZINC000328927145 444407000 /nfs/dbraw/zinc/40/70/00/444407000.db2.gz WXCRUFRNIAEVOF-OLZOCXBDSA-N 1 2 329.408 1.944 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)COc2ccsc2)CC1 ZINC000328666452 444420802 /nfs/dbraw/zinc/42/08/02/444420802.db2.gz ZXLYXHXALDBWLO-GFCCVEGCSA-N 1 2 337.445 1.779 20 30 EDEDLO CCc1noc(CC)c1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328879432 444386524 /nfs/dbraw/zinc/38/65/24/444386524.db2.gz LKBZNUFOZAQFTA-HOCLYGCPSA-N 1 2 336.436 1.618 20 30 EDEDLO CCc1noc(CC)c1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328879432 444386527 /nfs/dbraw/zinc/38/65/27/444386527.db2.gz LKBZNUFOZAQFTA-HOCLYGCPSA-N 1 2 336.436 1.618 20 30 EDEDLO N#CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCC1 ZINC000328884121 444387272 /nfs/dbraw/zinc/38/72/72/444387272.db2.gz MRPFKHAQGQZNAB-AWEZNQCLSA-N 1 2 334.420 1.102 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000329014921 444445787 /nfs/dbraw/zinc/44/57/87/444445787.db2.gz JQCMSJSFPNGVOE-MCIONIFRSA-N 1 2 333.436 1.860 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000329014921 444445789 /nfs/dbraw/zinc/44/57/89/444445789.db2.gz JQCMSJSFPNGVOE-MCIONIFRSA-N 1 2 333.436 1.860 20 30 EDEDLO Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)C2)n[nH]1 ZINC000328757475 444450751 /nfs/dbraw/zinc/45/07/51/444450751.db2.gz VAQMOEPPKSMGTL-HZPDHXFCSA-N 1 2 348.495 1.447 20 30 EDEDLO Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)C[NH+]3CCN(C)CC3)C2)[nH]n1 ZINC000328757475 444450754 /nfs/dbraw/zinc/45/07/54/444450754.db2.gz VAQMOEPPKSMGTL-HZPDHXFCSA-N 1 2 348.495 1.447 20 30 EDEDLO CC(C)[C@@H]1C[N@H+](C)CCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000331234542 444453144 /nfs/dbraw/zinc/45/31/44/444453144.db2.gz CQGKERLBBUANJI-KRWDZBQOSA-N 1 2 335.473 1.604 20 30 EDEDLO CC(C)[C@@H]1C[N@@H+](C)CCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000331234542 444453146 /nfs/dbraw/zinc/45/31/46/444453146.db2.gz CQGKERLBBUANJI-KRWDZBQOSA-N 1 2 335.473 1.604 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000340595984 444455167 /nfs/dbraw/zinc/45/51/67/444455167.db2.gz MTZBEHLCUGDIIG-UHFFFAOYSA-N 1 2 340.431 1.168 20 30 EDEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000337840635 444432945 /nfs/dbraw/zinc/43/29/45/444432945.db2.gz FGLIWBCZCYGPCF-CQSZACIVSA-N 1 2 346.479 1.377 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000337850333 444436080 /nfs/dbraw/zinc/43/60/80/444436080.db2.gz REEOVIQHWGQRGL-IIDMSEBBSA-N 1 2 336.480 1.810 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000337850333 444436083 /nfs/dbraw/zinc/43/60/83/444436083.db2.gz REEOVIQHWGQRGL-IIDMSEBBSA-N 1 2 336.480 1.810 20 30 EDEDLO CC(C)(C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)[NH+]1CCOCC1 ZINC000328734341 444444605 /nfs/dbraw/zinc/44/46/05/444444605.db2.gz KBQSCERIABMQMZ-HNNXBMFYSA-N 1 2 337.464 1.702 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3nccn3-c3ccccc3)C[C@@H]21 ZINC000329138734 444481507 /nfs/dbraw/zinc/48/15/07/444481507.db2.gz SCFBQBYCQKQFCJ-JKSUJKDBSA-N 1 2 341.415 1.823 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3nccn3-c3ccccc3)C[C@@H]21 ZINC000329138734 444481511 /nfs/dbraw/zinc/48/15/11/444481511.db2.gz SCFBQBYCQKQFCJ-JKSUJKDBSA-N 1 2 341.415 1.823 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cncc(C#N)c1)CCC2 ZINC000580366156 322041883 /nfs/dbraw/zinc/04/18/83/322041883.db2.gz ORQXXCXGVVJHLY-ZDUSSCGKSA-N 1 2 331.401 1.314 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)C[C@H]21 ZINC000329210837 444502456 /nfs/dbraw/zinc/50/24/56/444502456.db2.gz YYOJSOALUIRECV-KZNAEPCWSA-N 1 2 327.428 1.690 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)C[C@H]21 ZINC000329210837 444502460 /nfs/dbraw/zinc/50/24/60/444502460.db2.gz YYOJSOALUIRECV-KZNAEPCWSA-N 1 2 327.428 1.690 20 30 EDEDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[C@H]1CCCOC1 ZINC000329232021 444507373 /nfs/dbraw/zinc/50/73/73/444507373.db2.gz LALNHEPAJPRKIH-YHUYYLMFSA-N 1 2 325.453 1.511 20 30 EDEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CCO1 ZINC000329234709 444508240 /nfs/dbraw/zinc/50/82/40/444508240.db2.gz HZZUCXPTDLELQW-IKGGRYGDSA-N 1 2 340.512 1.720 20 30 EDEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CCO1 ZINC000329234709 444508244 /nfs/dbraw/zinc/50/82/44/444508244.db2.gz HZZUCXPTDLELQW-IKGGRYGDSA-N 1 2 340.512 1.720 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@](C)(O)C1)C1CCOCC1 ZINC000329317480 444532410 /nfs/dbraw/zinc/53/24/10/444532410.db2.gz HVGVHNKJFKSMSX-PBHICJAKSA-N 1 2 336.436 1.649 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329412965 444569481 /nfs/dbraw/zinc/56/94/81/444569481.db2.gz YKSIKZSAWQUSJI-GFCCVEGCSA-N 1 2 328.438 1.120 20 30 EDEDLO C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)[C@H](C)CO1 ZINC000329358714 444549087 /nfs/dbraw/zinc/54/90/87/444549087.db2.gz XFYLNDQFTZBKAS-NFAWXSAZSA-N 1 2 336.436 1.911 20 30 EDEDLO Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000329460550 444589287 /nfs/dbraw/zinc/58/92/87/444589287.db2.gz RYKMQCKCNYIKCT-IRXDYDNUSA-N 1 2 347.459 1.735 20 30 EDEDLO Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000329460550 444589290 /nfs/dbraw/zinc/58/92/90/444589290.db2.gz RYKMQCKCNYIKCT-IRXDYDNUSA-N 1 2 347.459 1.735 20 30 EDEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCSC1 ZINC000329536248 444618619 /nfs/dbraw/zinc/61/86/19/444618619.db2.gz UHOXLMWNKZYENC-KBPBESRZSA-N 1 2 341.477 1.019 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cn(C)nc1C1CC1 ZINC000329645688 444663713 /nfs/dbraw/zinc/66/37/13/444663713.db2.gz ZNSOXGNNNMAVEA-TZMCWYRMSA-N 1 2 333.436 1.638 20 30 EDEDLO C[C@H](C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)n1cnc(C#N)n1 ZINC000342379186 444665751 /nfs/dbraw/zinc/66/57/51/444665751.db2.gz BSBZYDQTYLILKN-SECBINFHSA-N 1 2 329.751 1.328 20 30 EDEDLO CO[C@@H]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329653943 444666985 /nfs/dbraw/zinc/66/69/85/444666985.db2.gz LLXPPWLSXNLGOH-HRCADAONSA-N 1 2 325.453 1.512 20 30 EDEDLO Cc1ccc(N2CCC[C@@H]([NH+]=C([O-])N3CCn4c[nH+]cc4C3)C2)nn1 ZINC000329658770 444668762 /nfs/dbraw/zinc/66/87/62/444668762.db2.gz NMVKOFFPGNPVIL-CQSZACIVSA-N 1 2 341.419 1.380 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](C(=O)Nc3cc[nH+]cc3O)C2)c(F)c1 ZINC000342400223 444675504 /nfs/dbraw/zinc/67/55/04/444675504.db2.gz KEDMRLGPSTVFNK-GFCCVEGCSA-N 1 2 326.331 1.685 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)CC2)cn1 ZINC000329607422 444646021 /nfs/dbraw/zinc/64/60/21/444646021.db2.gz IJRUOBCYZYWSKW-SJORKVTESA-N 1 2 347.463 1.409 20 30 EDEDLO C[C@H](CNC(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000329709911 444688313 /nfs/dbraw/zinc/68/83/13/444688313.db2.gz LVXGWGYNQKLHCB-KFWWJZLASA-N 1 2 325.453 1.511 20 30 EDEDLO Cn1cc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c([C@H]2CCOC2)n1 ZINC000329847348 444738541 /nfs/dbraw/zinc/73/85/41/444738541.db2.gz MSEOSCKNACTUCZ-ZDUSSCGKSA-N 1 2 336.436 1.339 20 30 EDEDLO Cn1cc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c([C@H]2CCOC2)n1 ZINC000329847348 444738546 /nfs/dbraw/zinc/73/85/46/444738546.db2.gz MSEOSCKNACTUCZ-ZDUSSCGKSA-N 1 2 336.436 1.339 20 30 EDEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCO[C@@]2(CCOC2)C1 ZINC000329911170 444764351 /nfs/dbraw/zinc/76/43/51/444764351.db2.gz WHXPOGSTRAQNSI-KRWDZBQOSA-N 1 2 334.420 1.167 20 30 EDEDLO CCN1CCN(C(=O)N[C@H](C)CN2CCCC2=O)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329968354 444791727 /nfs/dbraw/zinc/79/17/27/444791727.db2.gz TVBYECUDEYBWQI-ZIAGYGMSSA-N 1 2 348.451 1.013 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCOc4ccc(F)cc43)C[C@H]21 ZINC000329973935 444794597 /nfs/dbraw/zinc/79/45/97/444794597.db2.gz XCDZGIKLAISVMZ-IIAWOOMASA-N 1 2 335.379 1.578 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCOc4ccc(F)cc43)C[C@H]21 ZINC000329973935 444794604 /nfs/dbraw/zinc/79/46/04/444794604.db2.gz XCDZGIKLAISVMZ-IIAWOOMASA-N 1 2 335.379 1.578 20 30 EDEDLO CCN1CCN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329996570 444804376 /nfs/dbraw/zinc/80/43/76/444804376.db2.gz PDASBWAEIFLQCP-FPCVCCKLSA-N 1 2 347.463 1.960 20 30 EDEDLO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330003664 444807894 /nfs/dbraw/zinc/80/78/94/444807894.db2.gz ZWLNKWHPFLEVPJ-LLVKDONJSA-N 1 2 336.436 1.813 20 30 EDEDLO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330003664 444807896 /nfs/dbraw/zinc/80/78/96/444807896.db2.gz ZWLNKWHPFLEVPJ-LLVKDONJSA-N 1 2 336.436 1.813 20 30 EDEDLO CC(C)N1C(=O)C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000336884470 444831578 /nfs/dbraw/zinc/83/15/78/444831578.db2.gz BGLSQVPPUWXUMN-MRXNPFEDSA-N 1 2 345.443 1.629 20 30 EDEDLO CC(C)N1C(=O)C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000336884470 444831581 /nfs/dbraw/zinc/83/15/81/444831581.db2.gz BGLSQVPPUWXUMN-MRXNPFEDSA-N 1 2 345.443 1.629 20 30 EDEDLO Cc1nnc([C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)[nH]1 ZINC000336887115 444833658 /nfs/dbraw/zinc/83/36/58/444833658.db2.gz HPXGOLKIKBQYFE-WBVHZDCISA-N 1 2 341.415 1.952 20 30 EDEDLO Cc1nnc([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)[nH]1 ZINC000336887115 444833659 /nfs/dbraw/zinc/83/36/59/444833659.db2.gz HPXGOLKIKBQYFE-WBVHZDCISA-N 1 2 341.415 1.952 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000336899072 444840920 /nfs/dbraw/zinc/84/09/20/444840920.db2.gz AQPMGZPBDKIXFJ-UHFFFAOYSA-N 1 2 337.449 1.120 20 30 EDEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCc1[nH]cc[nH+]1 ZINC000336949774 444870140 /nfs/dbraw/zinc/87/01/40/444870140.db2.gz SDTADAUWYQIZDH-UHFFFAOYSA-N 1 2 337.387 1.232 20 30 EDEDLO CCOC(=O)[C@H](NCc1c[nH+]c2ccc(C#N)cn12)[C@@H]1CCCOC1 ZINC000342799314 444871795 /nfs/dbraw/zinc/87/17/95/444871795.db2.gz KLEMVNSMVWZJRG-RHSMWYFYSA-N 1 2 342.399 1.654 20 30 EDEDLO O=C(NC[C@H](O)C1CCOCC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330348506 444947288 /nfs/dbraw/zinc/94/72/88/444947288.db2.gz ITVUXLJAQGCFRP-HOTGVXAUSA-N 1 2 326.437 1.374 20 30 EDEDLO O=C(NC[C@H](O)C1CCOCC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330348506 444947291 /nfs/dbraw/zinc/94/72/91/444947291.db2.gz ITVUXLJAQGCFRP-HOTGVXAUSA-N 1 2 326.437 1.374 20 30 EDEDLO N#CCCOCC[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000339006463 444982214 /nfs/dbraw/zinc/98/22/14/444982214.db2.gz LUQPVVKUMJZLMI-UHFFFAOYSA-N 1 2 335.835 1.957 20 30 EDEDLO C=CCOCC(=O)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCOCC2)C1 ZINC000342949661 444960669 /nfs/dbraw/zinc/96/06/69/444960669.db2.gz FKXRADZTAOYZKJ-OAHLLOKOSA-N 1 2 348.447 1.151 20 30 EDEDLO CC(C)C(=O)NC1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000330403256 444967795 /nfs/dbraw/zinc/96/77/95/444967795.db2.gz LVEDLQCQYXVPOJ-UHFFFAOYSA-N 1 2 347.463 1.798 20 30 EDEDLO CCOC(=O)c1cnc(N2CC[NH+](CCOCCC#N)CC2)s1 ZINC000339008614 444983097 /nfs/dbraw/zinc/98/30/97/444983097.db2.gz WQMNYVDXMABNBH-UHFFFAOYSA-N 1 2 338.433 1.372 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CC2)C1=O ZINC000337223054 444993124 /nfs/dbraw/zinc/99/31/24/444993124.db2.gz MINVRXFIKAPDGK-KRWDZBQOSA-N 1 2 341.455 1.553 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CC2)C1=O ZINC000337223054 444993127 /nfs/dbraw/zinc/99/31/27/444993127.db2.gz MINVRXFIKAPDGK-KRWDZBQOSA-N 1 2 341.455 1.553 20 30 EDEDLO C=CCOCC[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000339046043 445007062 /nfs/dbraw/zinc/00/70/62/445007062.db2.gz UZNRFKLXMHCFAI-CQSZACIVSA-N 1 2 330.384 1.186 20 30 EDEDLO C=CCOCC[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000339046043 445007065 /nfs/dbraw/zinc/00/70/65/445007065.db2.gz UZNRFKLXMHCFAI-CQSZACIVSA-N 1 2 330.384 1.186 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000330500388 445007415 /nfs/dbraw/zinc/00/74/15/445007415.db2.gz OODFGXQBTDXVGG-APWZRJJASA-N 1 2 343.475 1.955 20 30 EDEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC(C)(C)O1 ZINC000330514996 445013714 /nfs/dbraw/zinc/01/37/14/445013714.db2.gz DMYVSJADPTWLMY-JKIFEVAISA-N 1 2 325.453 1.555 20 30 EDEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC(C)(C)O1 ZINC000330514996 445013715 /nfs/dbraw/zinc/01/37/15/445013715.db2.gz DMYVSJADPTWLMY-JKIFEVAISA-N 1 2 325.453 1.555 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C2 ZINC000344546655 445050556 /nfs/dbraw/zinc/05/05/56/445050556.db2.gz VBBHLDMHQJODNX-LLVKDONJSA-N 1 2 348.428 1.939 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000330596669 445053632 /nfs/dbraw/zinc/05/36/32/445053632.db2.gz YKXBOELRTPWGII-GJZGRUSLSA-N 1 2 335.473 1.746 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000330596669 445053635 /nfs/dbraw/zinc/05/36/35/445053635.db2.gz YKXBOELRTPWGII-GJZGRUSLSA-N 1 2 335.473 1.746 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000339177797 445074603 /nfs/dbraw/zinc/07/46/03/445074603.db2.gz WIDHZIYQCIKZEJ-YJYMSZOUSA-N 1 2 349.394 1.225 20 30 EDEDLO C[C@@H](CC#N)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339274069 445130087 /nfs/dbraw/zinc/13/00/87/445130087.db2.gz JYRYKZDVMSOWJY-SWLSCSKDSA-N 1 2 331.420 1.436 20 30 EDEDLO C[C@@H](CC#N)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339274069 445130089 /nfs/dbraw/zinc/13/00/89/445130089.db2.gz JYRYKZDVMSOWJY-SWLSCSKDSA-N 1 2 331.420 1.436 20 30 EDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000337521176 445117862 /nfs/dbraw/zinc/11/78/62/445117862.db2.gz PKDXGJYSPQHWKA-INIZCTEOSA-N 1 2 349.456 1.074 20 30 EDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000337521176 445117868 /nfs/dbraw/zinc/11/78/68/445117868.db2.gz PKDXGJYSPQHWKA-INIZCTEOSA-N 1 2 349.456 1.074 20 30 EDEDLO COC(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1C ZINC000330856289 445168201 /nfs/dbraw/zinc/16/82/01/445168201.db2.gz SDTLNLQIFFWKPP-AWEZNQCLSA-N 1 2 334.420 1.353 20 30 EDEDLO COC(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1C ZINC000330856289 445168203 /nfs/dbraw/zinc/16/82/03/445168203.db2.gz SDTLNLQIFFWKPP-AWEZNQCLSA-N 1 2 334.420 1.353 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000339860830 445174940 /nfs/dbraw/zinc/17/49/40/445174940.db2.gz YQXKSKIVYPPFLX-HNNXBMFYSA-N 1 2 344.390 1.799 20 30 EDEDLO CN(CC(C)(C)C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330885984 445181129 /nfs/dbraw/zinc/18/11/29/445181129.db2.gz MBRBCTKVWFLWRP-UHFFFAOYSA-N 1 2 347.463 1.993 20 30 EDEDLO CC(=O)N1CC[NH+](CCNC(=O)c2cnc(C)nc2C(C)C)CC1 ZINC000330793511 445144216 /nfs/dbraw/zinc/14/42/16/445144216.db2.gz VJVTVGMSMQNWKK-UHFFFAOYSA-N 1 2 333.436 1.377 20 30 EDEDLO C=CCCc1ccccc1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000337586561 445152656 /nfs/dbraw/zinc/15/26/56/445152656.db2.gz FMNQXJIWZMQGMO-QGZVFWFLSA-N 1 2 347.459 1.962 20 30 EDEDLO C[C@H]1[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCC[N@@H+]1C ZINC000343477446 445230173 /nfs/dbraw/zinc/23/01/73/445230173.db2.gz CQTFOFTZCSNAOO-XJKSGUPXSA-N 1 2 349.456 1.072 20 30 EDEDLO C[C@H]1[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCC[N@H+]1C ZINC000343477446 445230174 /nfs/dbraw/zinc/23/01/74/445230174.db2.gz CQTFOFTZCSNAOO-XJKSGUPXSA-N 1 2 349.456 1.072 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000347341220 445236577 /nfs/dbraw/zinc/23/65/77/445236577.db2.gz YIKVCLFCEBJEMD-JOYOTFMFSA-N 1 2 337.485 1.996 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000347341220 445236579 /nfs/dbraw/zinc/23/65/79/445236579.db2.gz YIKVCLFCEBJEMD-JOYOTFMFSA-N 1 2 337.485 1.996 20 30 EDEDLO Cc1cccc([C@H](CNC(=O)NCCCC#N)[NH+]2CCOCC2)c1 ZINC000343611240 445262988 /nfs/dbraw/zinc/26/29/88/445262988.db2.gz UXEOAIRLIMEBHZ-KRWDZBQOSA-N 1 2 330.432 1.971 20 30 EDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000348538347 445319754 /nfs/dbraw/zinc/31/97/54/445319754.db2.gz BLVOQIPHAULERY-GFCCVEGCSA-N 1 2 346.387 1.730 20 30 EDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000348538347 445319757 /nfs/dbraw/zinc/31/97/57/445319757.db2.gz BLVOQIPHAULERY-GFCCVEGCSA-N 1 2 346.387 1.730 20 30 EDEDLO C=CCOC[C@H]1NC(=O)N([C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1=O ZINC000348391750 445274411 /nfs/dbraw/zinc/27/44/11/445274411.db2.gz QNEVPBZMKNOHOB-QWHCGFSZSA-N 1 2 346.431 1.618 20 30 EDEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)o1 ZINC000348408666 445280991 /nfs/dbraw/zinc/28/09/91/445280991.db2.gz MRUXDFRLTFVWQA-HUUCEWRRSA-N 1 2 333.436 1.326 20 30 EDEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000351705252 445282270 /nfs/dbraw/zinc/28/22/70/445282270.db2.gz XMYNIXJVLUHZIS-SZMVWBNQSA-N 1 2 343.427 1.503 20 30 EDEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000351705252 445282271 /nfs/dbraw/zinc/28/22/71/445282271.db2.gz XMYNIXJVLUHZIS-SZMVWBNQSA-N 1 2 343.427 1.503 20 30 EDEDLO C=CCOC[C@H]1NC(=O)N(Cc2ccc(N3CCCC3)[nH+]c2)C1=O ZINC000348472837 445303096 /nfs/dbraw/zinc/30/30/96/445303096.db2.gz FBRIKZLFEYMXKQ-CQSZACIVSA-N 1 2 330.388 1.305 20 30 EDEDLO Cc1nc(NCc2cccc(C(=O)N3CCO[C@H](C#N)C3)c2)cc[nH+]1 ZINC000348869908 445424024 /nfs/dbraw/zinc/42/40/24/445424024.db2.gz QGBHZENXAXIFKW-MRXNPFEDSA-N 1 2 337.383 1.762 20 30 EDEDLO N#C[C@@H]1CSCCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000355459343 445462715 /nfs/dbraw/zinc/46/27/15/445462715.db2.gz URNVPLJHNAREOR-MRXNPFEDSA-N 1 2 326.425 1.941 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000352313373 445519645 /nfs/dbraw/zinc/51/96/45/445519645.db2.gz CVXJDXNLAXCRCV-HNNXBMFYSA-N 1 2 330.432 1.591 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000352315440 445519755 /nfs/dbraw/zinc/51/97/55/445519755.db2.gz OMUMSTMQQNHLMF-HNNXBMFYSA-N 1 2 339.480 1.417 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000352315440 445519759 /nfs/dbraw/zinc/51/97/59/445519759.db2.gz OMUMSTMQQNHLMF-HNNXBMFYSA-N 1 2 339.480 1.417 20 30 EDEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC000352868195 445561236 /nfs/dbraw/zinc/56/12/36/445561236.db2.gz CHSCFOIMJPIQIX-CQSZACIVSA-N 1 2 334.445 1.664 20 30 EDEDLO CC[N@H+](CC(=O)N(CCC#N)CCC#N)CC(=O)N1CCCCCC1 ZINC000353193826 445580298 /nfs/dbraw/zinc/58/02/98/445580298.db2.gz BZIOHPGAEVMZCA-UHFFFAOYSA-N 1 2 347.463 1.367 20 30 EDEDLO CC[N@@H+](CC(=O)N(CCC#N)CCC#N)CC(=O)N1CCCCCC1 ZINC000353193826 445580301 /nfs/dbraw/zinc/58/03/01/445580301.db2.gz BZIOHPGAEVMZCA-UHFFFAOYSA-N 1 2 347.463 1.367 20 30 EDEDLO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)N1CCCCCC1 ZINC000353218771 445581436 /nfs/dbraw/zinc/58/14/36/445581436.db2.gz KKLVUZQMYADMNM-IBGZPJMESA-N 1 2 348.491 1.908 20 30 EDEDLO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)N1CCCCCC1 ZINC000353218771 445581442 /nfs/dbraw/zinc/58/14/42/445581442.db2.gz KKLVUZQMYADMNM-IBGZPJMESA-N 1 2 348.491 1.908 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cnn(C(F)F)c1 ZINC000357822657 445585436 /nfs/dbraw/zinc/58/54/36/445585436.db2.gz UCFZRPNXOVKKIF-UHFFFAOYSA-N 1 2 342.350 1.358 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@@H](CC)C(=O)OC)CC1 ZINC000352670533 445546841 /nfs/dbraw/zinc/54/68/41/445546841.db2.gz FZPHBEWDFYCUTN-CVEARBPZSA-N 1 2 337.464 1.145 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)C(N)=O)cc1 ZINC000360060088 445549380 /nfs/dbraw/zinc/54/93/80/445549380.db2.gz LBIVAVXEVINOEZ-GOSISDBHSA-N 1 2 348.406 1.767 20 30 EDEDLO CCN1CCN(C(=O)NCc2ccc(C#N)cc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000353470637 445616772 /nfs/dbraw/zinc/61/67/72/445616772.db2.gz FJXYHWCYMYMIHK-INIZCTEOSA-N 1 2 338.415 1.870 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1C#N ZINC000349757064 445668283 /nfs/dbraw/zinc/66/82/83/445668283.db2.gz JNBGLPKSKPKDAM-MFKMUULPSA-N 1 2 334.445 1.793 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1C#N ZINC000349757064 445668288 /nfs/dbraw/zinc/66/82/88/445668288.db2.gz JNBGLPKSKPKDAM-MFKMUULPSA-N 1 2 334.445 1.793 20 30 EDEDLO C=CCCCNC(=O)N(C)C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000350041466 445755681 /nfs/dbraw/zinc/75/56/81/445755681.db2.gz MSLZWBMIJYZARD-HZPDHXFCSA-N 1 2 337.443 1.940 20 30 EDEDLO C=CCCCNC(=O)N(C)C[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000350041466 445755685 /nfs/dbraw/zinc/75/56/85/445755685.db2.gz MSLZWBMIJYZARD-HZPDHXFCSA-N 1 2 337.443 1.940 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000361544027 445812609 /nfs/dbraw/zinc/81/26/09/445812609.db2.gz RLYYRJMIVVUHMC-NSHDSACASA-N 1 2 346.214 1.628 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000363954648 445887809 /nfs/dbraw/zinc/88/78/09/445887809.db2.gz QJXVRFHPMCFLHT-RKVPGOIHSA-N 1 2 335.448 1.597 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000363954648 445887813 /nfs/dbraw/zinc/88/78/13/445887813.db2.gz QJXVRFHPMCFLHT-RKVPGOIHSA-N 1 2 335.448 1.597 20 30 EDEDLO N#Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)ccc1[N+](=O)[O-] ZINC000372957624 445943743 /nfs/dbraw/zinc/94/37/43/445943743.db2.gz RGXVWZUKIGZTLQ-KRWDZBQOSA-N 1 2 346.387 1.760 20 30 EDEDLO CCn1cc[nH+]c1CN1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000364354737 445914822 /nfs/dbraw/zinc/91/48/22/445914822.db2.gz BODWXIWHLHXWJV-UHFFFAOYSA-N 1 2 326.404 1.451 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000366154417 446045852 /nfs/dbraw/zinc/04/58/52/446045852.db2.gz MLHMHSMRVCRMSH-SFHVURJKSA-N 1 2 345.443 1.914 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000366154417 446045854 /nfs/dbraw/zinc/04/58/54/446045854.db2.gz MLHMHSMRVCRMSH-SFHVURJKSA-N 1 2 345.443 1.914 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cnc3ccc(C#N)cn13)C[C@@H](C)O2 ZINC000369291270 446052934 /nfs/dbraw/zinc/05/29/34/446052934.db2.gz XRIVBXSQPHOPHH-HBUWYVDXSA-N 1 2 326.400 1.974 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cnc3ccc(C#N)cn13)C[C@@H](C)O2 ZINC000369291270 446052940 /nfs/dbraw/zinc/05/29/40/446052940.db2.gz XRIVBXSQPHOPHH-HBUWYVDXSA-N 1 2 326.400 1.974 20 30 EDEDLO CC[C@@H](C(=O)OC)N1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000583875672 326158791 /nfs/dbraw/zinc/15/87/91/326158791.db2.gz PPCGDQWATFFPEP-HNNXBMFYSA-N 1 2 346.387 1.536 20 30 EDEDLO N#Cc1ncn(C2CC[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC2)n1 ZINC000369313100 446067287 /nfs/dbraw/zinc/06/72/87/446067287.db2.gz WLTSHJFHMIBYHT-UHFFFAOYSA-N 1 2 346.341 1.704 20 30 EDEDLO C#CC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000366302241 446138036 /nfs/dbraw/zinc/13/80/36/446138036.db2.gz RNWPIIFRMLZEPG-QZTJIDSGSA-N 1 2 327.428 1.913 20 30 EDEDLO C#CC[C@@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000366302241 446138044 /nfs/dbraw/zinc/13/80/44/446138044.db2.gz RNWPIIFRMLZEPG-QZTJIDSGSA-N 1 2 327.428 1.913 20 30 EDEDLO CN(C[C@H]1CCn2cc[nH+]c2C1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000369350908 446094215 /nfs/dbraw/zinc/09/42/15/446094215.db2.gz XVRZPVSZBMMKFE-LBPRGKRZSA-N 1 2 331.401 1.033 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369386081 446113027 /nfs/dbraw/zinc/11/30/27/446113027.db2.gz ONBAIVPIPIAMJA-CQSZACIVSA-N 1 2 332.404 1.188 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369386081 446113033 /nfs/dbraw/zinc/11/30/33/446113033.db2.gz ONBAIVPIPIAMJA-CQSZACIVSA-N 1 2 332.404 1.188 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000369411328 446118311 /nfs/dbraw/zinc/11/83/11/446118311.db2.gz KDYUOUBNRVRYNP-HNNXBMFYSA-N 1 2 331.416 1.709 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000369411328 446118318 /nfs/dbraw/zinc/11/83/18/446118318.db2.gz KDYUOUBNRVRYNP-HNNXBMFYSA-N 1 2 331.416 1.709 20 30 EDEDLO CCCCCCCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000369507946 446126760 /nfs/dbraw/zinc/12/67/60/446126760.db2.gz SNCVPEOVFKSDMK-MRXNPFEDSA-N 1 2 339.480 1.396 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)cc1 ZINC000354430517 446199158 /nfs/dbraw/zinc/19/91/58/446199158.db2.gz XIJTUCWWOMKBBW-OAHLLOKOSA-N 1 2 341.333 1.564 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)cc1 ZINC000354430517 446199164 /nfs/dbraw/zinc/19/91/64/446199164.db2.gz XIJTUCWWOMKBBW-OAHLLOKOSA-N 1 2 341.333 1.564 20 30 EDEDLO N#Cc1cccc(-n2ccc(C(=O)NCCNc3cccc[nH+]3)n2)c1 ZINC000362344757 446327196 /nfs/dbraw/zinc/32/71/96/446327196.db2.gz ADZANASAAPBJHD-UHFFFAOYSA-N 1 2 332.367 1.981 20 30 EDEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C3(C(N)=O)CCCC3)CC2)cc1 ZINC000370565703 446334198 /nfs/dbraw/zinc/33/41/98/446334198.db2.gz NAUILVCUQILITE-KRWDZBQOSA-N 1 2 342.443 1.007 20 30 EDEDLO CN(C1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)c1ccc(C#N)o1 ZINC000376276983 446410288 /nfs/dbraw/zinc/41/02/88/446410288.db2.gz BDLRBJJTCYBPAW-UHFFFAOYSA-N 1 2 346.412 1.836 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000375004052 446506998 /nfs/dbraw/zinc/50/69/98/446506998.db2.gz LVMOXCVUWKHNAX-OAHLLOKOSA-N 1 2 330.413 1.892 20 30 EDEDLO CC(C)OC[C@H](CO)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000433242080 446552516 /nfs/dbraw/zinc/55/25/16/446552516.db2.gz ABZGIINDUXHDPD-HNNXBMFYSA-N 1 2 330.388 1.826 20 30 EDEDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000433242080 446552522 /nfs/dbraw/zinc/55/25/22/446552522.db2.gz ABZGIINDUXHDPD-HNNXBMFYSA-N 1 2 330.388 1.826 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000433261136 446552873 /nfs/dbraw/zinc/55/28/73/446552873.db2.gz MSWQFOXDFJZKOI-JCEJCQQGSA-N 1 2 337.485 1.855 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000433261136 446552877 /nfs/dbraw/zinc/55/28/77/446552877.db2.gz MSWQFOXDFJZKOI-JCEJCQQGSA-N 1 2 337.485 1.855 20 30 EDEDLO Cc1cccc(S(=O)(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1C#N ZINC000420455177 446632680 /nfs/dbraw/zinc/63/26/80/446632680.db2.gz ZAHLNWSSUKHUGU-NSHDSACASA-N 1 2 329.372 1.390 20 30 EDEDLO COc1cc(C[NH+]2CCN(c3cncc(C#N)n3)CC2)cc(OC)c1 ZINC000420601200 446698662 /nfs/dbraw/zinc/69/86/62/446698662.db2.gz NIOLRDAMTZBIAJ-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(F)cc2)no1 ZINC000368204552 446707003 /nfs/dbraw/zinc/70/70/03/446707003.db2.gz XYPXUBQFKIWWOE-JTQLQIEISA-N 1 2 347.350 1.538 20 30 EDEDLO CC(C)[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 ZINC000440053138 446833988 /nfs/dbraw/zinc/83/39/88/446833988.db2.gz QTDSUDSTAYCUKT-UHFFFAOYSA-N 1 2 325.409 1.553 20 30 EDEDLO Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)nn1CCC#N ZINC000371407919 446836018 /nfs/dbraw/zinc/83/60/18/446836018.db2.gz FEXXLESUFGCBMJ-MRXNPFEDSA-N 1 2 338.415 2.103 20 30 EDEDLO Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)nn1CCC#N ZINC000371407919 446836023 /nfs/dbraw/zinc/83/60/23/446836023.db2.gz FEXXLESUFGCBMJ-MRXNPFEDSA-N 1 2 338.415 2.103 20 30 EDEDLO Cc1cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1C#N ZINC000375519512 446868809 /nfs/dbraw/zinc/86/88/09/446868809.db2.gz AJTRGRHLSQIXNC-IAGOWNOFSA-N 1 2 349.456 1.086 20 30 EDEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000368520181 446916897 /nfs/dbraw/zinc/91/68/97/446916897.db2.gz SZEOYQBIHJIXBK-CYBMUJFWSA-N 1 2 331.254 1.902 20 30 EDEDLO C=C(Br)C[N@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000368520181 446916903 /nfs/dbraw/zinc/91/69/03/446916903.db2.gz SZEOYQBIHJIXBK-CYBMUJFWSA-N 1 2 331.254 1.902 20 30 EDEDLO CCn1cc[nH+]c1CN1CCCN(C(=O)NCCCCC#N)CC1 ZINC000371663882 446945341 /nfs/dbraw/zinc/94/53/41/446945341.db2.gz NNUBECHNMIROJN-UHFFFAOYSA-N 1 2 332.452 1.814 20 30 EDEDLO CCn1ccnc1C[N@@H+]1CCCN(C(=O)NCCCCC#N)CC1 ZINC000371663882 446945349 /nfs/dbraw/zinc/94/53/49/446945349.db2.gz NNUBECHNMIROJN-UHFFFAOYSA-N 1 2 332.452 1.814 20 30 EDEDLO CCn1ccnc1C[N@H+]1CCCN(C(=O)NCCCCC#N)CC1 ZINC000371663882 446945355 /nfs/dbraw/zinc/94/53/55/446945355.db2.gz NNUBECHNMIROJN-UHFFFAOYSA-N 1 2 332.452 1.814 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377330718 447069936 /nfs/dbraw/zinc/06/99/36/447069936.db2.gz OSUHQNHXKODAQH-ZDUSSCGKSA-N 1 2 325.372 1.517 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377330718 447069940 /nfs/dbraw/zinc/06/99/40/447069940.db2.gz OSUHQNHXKODAQH-ZDUSSCGKSA-N 1 2 325.372 1.517 20 30 EDEDLO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000444790834 447137288 /nfs/dbraw/zinc/13/72/88/447137288.db2.gz KQCOALUYMBAAKM-ZWKOTPCHSA-N 1 2 335.448 1.993 20 30 EDEDLO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000444790834 447137292 /nfs/dbraw/zinc/13/72/92/447137292.db2.gz KQCOALUYMBAAKM-ZWKOTPCHSA-N 1 2 335.448 1.993 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CCO2 ZINC000375922191 447151461 /nfs/dbraw/zinc/15/14/61/447151461.db2.gz VGJULOMYHHTINR-QAPCUYQASA-N 1 2 335.448 1.551 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CCO2 ZINC000375922191 447151469 /nfs/dbraw/zinc/15/14/69/447151469.db2.gz VGJULOMYHHTINR-QAPCUYQASA-N 1 2 335.448 1.551 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000376006104 447205851 /nfs/dbraw/zinc/20/58/51/447205851.db2.gz IJDYHQRLAMRHOE-SJLPKXTDSA-N 1 2 329.400 1.767 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000376006104 447205857 /nfs/dbraw/zinc/20/58/57/447205857.db2.gz IJDYHQRLAMRHOE-SJLPKXTDSA-N 1 2 329.400 1.767 20 30 EDEDLO CN(C(=O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)C1(C#N)CCCCC1 ZINC000377581715 447221864 /nfs/dbraw/zinc/22/18/64/447221864.db2.gz HIAARWXYWVZEHX-UHFFFAOYSA-N 1 2 346.435 1.375 20 30 EDEDLO N#Cc1cc(F)c(N2CC[NH+](C3(C(N)=O)CCCC3)CC2)c(F)c1 ZINC000377582816 447223850 /nfs/dbraw/zinc/22/38/50/447223850.db2.gz MSQFEXAFEYXAJG-UHFFFAOYSA-N 1 2 334.370 1.757 20 30 EDEDLO N#Cc1cc(Br)cnc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000450332463 447458052 /nfs/dbraw/zinc/45/80/52/447458052.db2.gz UYPUNEABRJLAIM-UHFFFAOYSA-N 1 2 347.220 1.761 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(C2CC2)nc1 ZINC000459366926 447647028 /nfs/dbraw/zinc/64/70/28/447647028.db2.gz YJUFOSDGBZGUQA-ZDUSSCGKSA-N 1 2 335.415 1.726 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(C2CC2)nc1 ZINC000459366926 447647032 /nfs/dbraw/zinc/64/70/32/447647032.db2.gz YJUFOSDGBZGUQA-ZDUSSCGKSA-N 1 2 335.415 1.726 20 30 EDEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000408311669 447648958 /nfs/dbraw/zinc/64/89/58/447648958.db2.gz ZFPCDYIYUADORD-UHFFFAOYSA-N 1 2 343.493 1.179 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000408084878 447628230 /nfs/dbraw/zinc/62/82/30/447628230.db2.gz UPPNSQDXBZCPJB-GHMZBOCLSA-N 1 2 338.389 1.180 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000408084878 447628237 /nfs/dbraw/zinc/62/82/37/447628237.db2.gz UPPNSQDXBZCPJB-GHMZBOCLSA-N 1 2 338.389 1.180 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000410583966 447702146 /nfs/dbraw/zinc/70/21/46/447702146.db2.gz RSSPXUPEOZFZJH-UHFFFAOYSA-N 1 2 347.463 1.259 20 30 EDEDLO C[C@H](NC(=O)CNC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N)c1ccc(F)cc1 ZINC000459462366 447675703 /nfs/dbraw/zinc/67/57/03/447675703.db2.gz JLIXTTOHBVEPNR-DUVNUKRYSA-N 1 2 346.406 1.401 20 30 EDEDLO C=CC[C@@H](C)NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495972746 447686018 /nfs/dbraw/zinc/68/60/18/447686018.db2.gz AISKGDRYARQTIP-KGLIPLIRSA-N 1 2 340.468 1.801 20 30 EDEDLO C=CC[C@@H](C)NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495972746 447686021 /nfs/dbraw/zinc/68/60/21/447686021.db2.gz AISKGDRYARQTIP-KGLIPLIRSA-N 1 2 340.468 1.801 20 30 EDEDLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000429402969 447746989 /nfs/dbraw/zinc/74/69/89/447746989.db2.gz OEVBZRYHZXNESE-MRXNPFEDSA-N 1 2 332.448 1.712 20 30 EDEDLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000429402969 447746991 /nfs/dbraw/zinc/74/69/91/447746991.db2.gz OEVBZRYHZXNESE-MRXNPFEDSA-N 1 2 332.448 1.712 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCCCCC#N)cn1 ZINC000471815453 447814419 /nfs/dbraw/zinc/81/44/19/447814419.db2.gz JOCMGNJQAMVXOB-GJZGRUSLSA-N 1 2 336.415 1.326 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCCCCC#N)cn1 ZINC000471815453 447814420 /nfs/dbraw/zinc/81/44/20/447814420.db2.gz JOCMGNJQAMVXOB-GJZGRUSLSA-N 1 2 336.415 1.326 20 30 EDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000496405613 447769518 /nfs/dbraw/zinc/76/95/18/447769518.db2.gz JKSRXQUZHQJBOM-LLVKDONJSA-N 1 2 345.407 2.363 20 30 EDEDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000451929882 447788603 /nfs/dbraw/zinc/78/86/03/447788603.db2.gz OSJRWWDUUKUVEC-JTQLQIEISA-N 1 2 349.372 1.722 20 30 EDEDLO COCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCO[C@H]1C ZINC000489514042 447861368 /nfs/dbraw/zinc/86/13/68/447861368.db2.gz PZEWHHIHULTHBI-DZGCQCFKSA-N 1 2 335.404 1.832 20 30 EDEDLO COCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCO[C@H]1C ZINC000489514042 447861374 /nfs/dbraw/zinc/86/13/74/447861374.db2.gz PZEWHHIHULTHBI-DZGCQCFKSA-N 1 2 335.404 1.832 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(CC(F)(F)F)no2)CC1 ZINC000491156332 447942558 /nfs/dbraw/zinc/94/25/58/447942558.db2.gz ZHHWYBQDBJHNKN-UHFFFAOYSA-N 1 2 330.310 1.136 20 30 EDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491165040 447944898 /nfs/dbraw/zinc/94/48/98/447944898.db2.gz HXRSNTQCNKUSNA-AWEZNQCLSA-N 1 2 328.478 1.002 20 30 EDEDLO C#CC(C)(C)[N@H+](C)CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491165040 447944900 /nfs/dbraw/zinc/94/49/00/447944900.db2.gz HXRSNTQCNKUSNA-AWEZNQCLSA-N 1 2 328.478 1.002 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000491210825 447959156 /nfs/dbraw/zinc/95/91/56/447959156.db2.gz ZFWRFYFHPVKBAG-ZDUSSCGKSA-N 1 2 339.388 1.484 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000491210825 447959158 /nfs/dbraw/zinc/95/91/58/447959158.db2.gz ZFWRFYFHPVKBAG-ZDUSSCGKSA-N 1 2 339.388 1.484 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cnc3c(C#N)cnn3c1)C[C@@H](C)O2 ZINC000575923275 447928959 /nfs/dbraw/zinc/92/89/59/447928959.db2.gz AEGTXRJSUBYOFO-IIYDPXPESA-N 1 2 327.388 1.369 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cnc3c(C#N)cnn3c1)C[C@@H](C)O2 ZINC000575923275 447928962 /nfs/dbraw/zinc/92/89/62/447928962.db2.gz AEGTXRJSUBYOFO-IIYDPXPESA-N 1 2 327.388 1.369 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000491371609 448006405 /nfs/dbraw/zinc/00/64/05/448006405.db2.gz FUVKHZFKDBFNEL-QGZVFWFLSA-N 1 2 338.411 1.669 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(F)c2C)CC1 ZINC000491747315 448102160 /nfs/dbraw/zinc/10/21/60/448102160.db2.gz WJLXTHSKUIFYGD-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2C)CC1 ZINC000491747315 448102168 /nfs/dbraw/zinc/10/21/68/448102168.db2.gz WJLXTHSKUIFYGD-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496991802 448103002 /nfs/dbraw/zinc/10/30/02/448103002.db2.gz COQJXBOFDQDKSP-LBPRGKRZSA-N 1 2 335.408 1.922 20 30 EDEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCC(C#N)(c2ccccn2)CC1 ZINC000576479197 448066299 /nfs/dbraw/zinc/06/62/99/448066299.db2.gz MRSLRXUGVWYVBN-UHFFFAOYSA-N 1 2 334.387 1.402 20 30 EDEDLO C[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+]1CCOCC1 ZINC000505383175 448115272 /nfs/dbraw/zinc/11/52/72/448115272.db2.gz WKCGCJUYSCSYSU-CYBMUJFWSA-N 1 2 331.391 1.566 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)CN(c2cccc(C(=O)OC)c2)C1=O ZINC000491776750 448117243 /nfs/dbraw/zinc/11/72/43/448117243.db2.gz FDIZEGOQEOVIQC-LBPRGKRZSA-N 1 2 329.356 1.153 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)CN(c2cccc(C(=O)OC)c2)C1=O ZINC000491776750 448117245 /nfs/dbraw/zinc/11/72/45/448117245.db2.gz FDIZEGOQEOVIQC-LBPRGKRZSA-N 1 2 329.356 1.153 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](CC)(c2ccc(OC)cc2)C1=O ZINC000491780764 448120249 /nfs/dbraw/zinc/12/02/49/448120249.db2.gz KXDMAGXYKGXJFI-SCLBCKFNSA-N 1 2 329.400 1.763 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](CC)(c2ccc(OC)cc2)C1=O ZINC000491780764 448120256 /nfs/dbraw/zinc/12/02/56/448120256.db2.gz KXDMAGXYKGXJFI-SCLBCKFNSA-N 1 2 329.400 1.763 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000491784702 448122289 /nfs/dbraw/zinc/12/22/89/448122289.db2.gz LPADECIUWBLNDW-AWEZNQCLSA-N 1 2 334.445 1.995 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000491787926 448123482 /nfs/dbraw/zinc/12/34/82/448123482.db2.gz YGXMQBAAKJPIHV-SUMWQHHRSA-N 1 2 341.411 1.811 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000491787926 448123484 /nfs/dbraw/zinc/12/34/84/448123484.db2.gz YGXMQBAAKJPIHV-SUMWQHHRSA-N 1 2 341.411 1.811 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000491787926 448123488 /nfs/dbraw/zinc/12/34/88/448123488.db2.gz YGXMQBAAKJPIHV-SUMWQHHRSA-N 1 2 341.411 1.811 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000491787926 448123491 /nfs/dbraw/zinc/12/34/91/448123491.db2.gz YGXMQBAAKJPIHV-SUMWQHHRSA-N 1 2 341.411 1.811 20 30 EDEDLO C=CCN(C(=O)c1ccc2[nH+]c(C)n(C)c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000526987958 448132878 /nfs/dbraw/zinc/13/28/78/448132878.db2.gz NILGATLCVXINJB-CQSZACIVSA-N 1 2 347.440 1.697 20 30 EDEDLO CN(CCCc1[nH]nc(N)c1C#N)c1[nH+]c2cccc(F)c2n1C ZINC000514837665 448211383 /nfs/dbraw/zinc/21/13/83/448211383.db2.gz RQIJWOQHWNNWTB-UHFFFAOYSA-N 1 2 327.367 1.958 20 30 EDEDLO Cc1[nH+]c2ccc(C(=O)NCC3CCN(CC#N)CC3)cc2n1C ZINC000527248988 448194187 /nfs/dbraw/zinc/19/41/87/448194187.db2.gz YOVZIPJGWOXXDP-UHFFFAOYSA-N 1 2 325.416 1.847 20 30 EDEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)nnn1-c1ccc(C)cc1 ZINC000514942335 448229836 /nfs/dbraw/zinc/22/98/36/448229836.db2.gz XAYVXJZPAMVOPJ-QGZVFWFLSA-N 1 2 326.404 1.458 20 30 EDEDLO COC(=O)c1cc2cc(C[NH+]3CCN(C(=O)CC#N)CC3)ccc2o1 ZINC000582494732 448253553 /nfs/dbraw/zinc/25/35/53/448253553.db2.gz GSSDEJZLQKATCL-UHFFFAOYSA-N 1 2 341.367 1.777 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000562735329 448266655 /nfs/dbraw/zinc/26/66/55/448266655.db2.gz OEKJHUPOFKOTRM-CABCVRRESA-N 1 2 333.413 1.553 20 30 EDEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000533087126 448354591 /nfs/dbraw/zinc/35/45/91/448354591.db2.gz XLNVXBQTYBIGCZ-LBPRGKRZSA-N 1 2 345.371 1.283 20 30 EDEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000533087126 448354601 /nfs/dbraw/zinc/35/46/01/448354601.db2.gz XLNVXBQTYBIGCZ-LBPRGKRZSA-N 1 2 345.371 1.283 20 30 EDEDLO N#CCCn1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c(-c2ccncc2)n1 ZINC000516318934 448413150 /nfs/dbraw/zinc/41/31/50/448413150.db2.gz VJTNUPQZWCUPSF-CALCHBBNSA-N 1 2 339.399 1.458 20 30 EDEDLO N#CCCn1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)c(-c2ccncc2)n1 ZINC000516318934 448413156 /nfs/dbraw/zinc/41/31/56/448413156.db2.gz VJTNUPQZWCUPSF-CALCHBBNSA-N 1 2 339.399 1.458 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1 ZINC000572594828 448416160 /nfs/dbraw/zinc/41/61/60/448416160.db2.gz GMUJSZCJJKHWOP-CQSZACIVSA-N 1 2 330.413 1.202 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000516654294 448458183 /nfs/dbraw/zinc/45/81/83/448458183.db2.gz MBRQRYALGPGHSW-VQIMIIECSA-N 1 2 342.443 1.499 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(COC2CCOCC2)c1 ZINC000584294762 448478221 /nfs/dbraw/zinc/47/82/21/448478221.db2.gz FPZSBRKJSVDFRR-IBGZPJMESA-N 1 2 345.443 1.956 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000572845635 448478267 /nfs/dbraw/zinc/47/82/67/448478267.db2.gz IHAYBJLMBBIGQN-FHLIZLRMSA-N 1 2 327.428 1.841 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000584333630 448486108 /nfs/dbraw/zinc/48/61/08/448486108.db2.gz USSMSHZXARZJDA-BMFZPTHFSA-N 1 2 346.431 1.449 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000536768085 448542197 /nfs/dbraw/zinc/54/21/97/448542197.db2.gz RLMZRPLIWQDESN-UHFFFAOYSA-N 1 2 335.411 1.531 20 30 EDEDLO C[C@@H](NC(=O)C[NH+]1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000578585774 448584232 /nfs/dbraw/zinc/58/42/32/448584232.db2.gz CHAABSNQQLIVOA-MRXNPFEDSA-N 1 2 349.438 1.953 20 30 EDEDLO C=CCNC(=O)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000540716784 448644079 /nfs/dbraw/zinc/64/40/79/448644079.db2.gz KOWVKVIIXWNSEL-HNNXBMFYSA-N 1 2 327.388 1.111 20 30 EDEDLO Cn1c2nnc(C[NH+]3CCC(CC#N)CC3)n2c2ccsc2c1=O ZINC000541020281 448664669 /nfs/dbraw/zinc/66/46/69/448664669.db2.gz NRFBBTWFYMGDEH-UHFFFAOYSA-N 1 2 342.428 1.768 20 30 EDEDLO C[C@H](C#N)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000541018638 448665182 /nfs/dbraw/zinc/66/51/82/448665182.db2.gz GAJYYMRPBSTHFK-ZIAGYGMSSA-N 1 2 335.477 1.495 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528780363 448672615 /nfs/dbraw/zinc/67/26/15/448672615.db2.gz DOSLHVYXOURFHU-DDVRHSHMSA-N 1 2 331.441 1.871 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528780363 448672622 /nfs/dbraw/zinc/67/26/22/448672622.db2.gz DOSLHVYXOURFHU-DDVRHSHMSA-N 1 2 331.441 1.871 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)ccc2n1C ZINC000541875673 448699217 /nfs/dbraw/zinc/69/92/17/448699217.db2.gz XDPSMHPQOJCFOS-UHFFFAOYSA-N 1 2 339.399 1.973 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000592149580 448710600 /nfs/dbraw/zinc/71/06/00/448710600.db2.gz RMGPQEDYSVRMQQ-KRWDZBQOSA-N 1 2 330.388 1.302 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000592149580 448710605 /nfs/dbraw/zinc/71/06/05/448710605.db2.gz RMGPQEDYSVRMQQ-KRWDZBQOSA-N 1 2 330.388 1.302 20 30 EDEDLO C[C@@H](OCCCNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592150937 448712278 /nfs/dbraw/zinc/71/22/78/448712278.db2.gz KALNEOZYUOVOSM-APWZRJJASA-N 1 2 345.443 1.621 20 30 EDEDLO C[C@@H](OCCCNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592150937 448712281 /nfs/dbraw/zinc/71/22/81/448712281.db2.gz KALNEOZYUOVOSM-APWZRJJASA-N 1 2 345.443 1.621 20 30 EDEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000586785131 448811109 /nfs/dbraw/zinc/81/11/09/448811109.db2.gz WLNCWYLUOWJPFL-CABCVRRESA-N 1 2 340.370 1.848 20 30 EDEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000586785131 448811115 /nfs/dbraw/zinc/81/11/15/448811115.db2.gz WLNCWYLUOWJPFL-CABCVRRESA-N 1 2 340.370 1.848 20 30 EDEDLO COCc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1C#N ZINC000529212296 448792304 /nfs/dbraw/zinc/79/23/04/448792304.db2.gz IFDAEMBURGZUCZ-MRXNPFEDSA-N 1 2 331.420 1.072 20 30 EDEDLO COCc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1C#N ZINC000529212296 448792306 /nfs/dbraw/zinc/79/23/06/448792306.db2.gz IFDAEMBURGZUCZ-MRXNPFEDSA-N 1 2 331.420 1.072 20 30 EDEDLO N#C[C@@H]1CSCCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000546085970 448821121 /nfs/dbraw/zinc/82/11/21/448821121.db2.gz PUXFHACUDPPHOV-CQSZACIVSA-N 1 2 348.453 1.561 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000579616512 448838685 /nfs/dbraw/zinc/83/86/85/448838685.db2.gz SQMQTPGIXKCGPO-ZDUSSCGKSA-N 1 2 342.490 1.344 20 30 EDEDLO C[C@H](NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000587700402 448842629 /nfs/dbraw/zinc/84/26/29/448842629.db2.gz DBXHYOSYAKSHAF-WFASDCNBSA-N 1 2 337.383 1.063 20 30 EDEDLO C[NH+]1CCN(C(=O)c2ccc(-c3noc(C(C)(C)C#N)n3)cn2)CC1 ZINC000547150023 448860336 /nfs/dbraw/zinc/86/03/36/448860336.db2.gz FGEYNBXLDNWEAM-UHFFFAOYSA-N 1 2 340.387 1.320 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000580317442 448945110 /nfs/dbraw/zinc/94/51/10/448945110.db2.gz YLKCBCMDCJXASK-CQSZACIVSA-N 1 2 326.303 1.376 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000582099099 449008765 /nfs/dbraw/zinc/00/87/65/449008765.db2.gz UCCWSWXTKVYPOW-HIFRSBDPSA-N 1 2 336.457 1.578 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000582099099 449008768 /nfs/dbraw/zinc/00/87/68/449008768.db2.gz UCCWSWXTKVYPOW-HIFRSBDPSA-N 1 2 336.457 1.578 20 30 EDEDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc(C#N)c(F)c1)CC2 ZINC000589411249 449014231 /nfs/dbraw/zinc/01/42/31/449014231.db2.gz ZDLXLBSKNQTBLK-UHFFFAOYSA-N 1 2 327.319 1.183 20 30 EDEDLO C=CCN(C(=O)Cn1cc[nH+]c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000575053083 449023635 /nfs/dbraw/zinc/02/36/35/449023635.db2.gz MCDQVNGKNWQLIX-AWEZNQCLSA-N 1 2 337.387 1.635 20 30 EDEDLO CCN1CCN(C(=O)NCC#Cc2ccccc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000548668340 449075141 /nfs/dbraw/zinc/07/51/41/449075141.db2.gz VZHLPJZSEIKZOE-KRWDZBQOSA-N 1 2 337.427 1.850 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000522525908 449082558 /nfs/dbraw/zinc/08/25/58/449082558.db2.gz JXKSUYUBDOJZLR-AWEZNQCLSA-N 1 2 347.415 1.027 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000522525908 449082566 /nfs/dbraw/zinc/08/25/66/449082566.db2.gz JXKSUYUBDOJZLR-AWEZNQCLSA-N 1 2 347.415 1.027 20 30 EDEDLO C[C@@H]1CN(c2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn2)C[C@@H](C)O1 ZINC000575127743 449043469 /nfs/dbraw/zinc/04/34/69/449043469.db2.gz PTKFNONPHDMFNF-LBTNJELSSA-N 1 2 345.447 1.269 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1C#N ZINC000522167554 449058263 /nfs/dbraw/zinc/05/82/63/449058263.db2.gz PDLYKDYFYSSBAX-NSHDSACASA-N 1 2 334.445 1.841 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1C#N ZINC000522167554 449058267 /nfs/dbraw/zinc/05/82/67/449058267.db2.gz PDLYKDYFYSSBAX-NSHDSACASA-N 1 2 334.445 1.841 20 30 EDEDLO N#Cc1sccc1N1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000595629125 449090001 /nfs/dbraw/zinc/09/00/01/449090001.db2.gz CRMFXFJJLQZODG-GFCCVEGCSA-N 1 2 325.459 1.176 20 30 EDEDLO N#CCc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000595654668 449100136 /nfs/dbraw/zinc/10/01/36/449100136.db2.gz WBHWTWMZCXGGSR-KRWDZBQOSA-N 1 2 328.416 1.369 20 30 EDEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CC(C#N)C2)CC1 ZINC000590104636 449107731 /nfs/dbraw/zinc/10/77/31/449107731.db2.gz CKRCPWMAJXPVBY-UHFFFAOYSA-N 1 2 327.388 1.061 20 30 EDEDLO CC[C@@H](C#N)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000593636316 449122113 /nfs/dbraw/zinc/12/21/13/449122113.db2.gz UDNRIRKEYUFMDQ-HNNXBMFYSA-N 1 2 328.416 1.839 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)nc1 ZINC000590416617 449152549 /nfs/dbraw/zinc/15/25/49/449152549.db2.gz DZPFWOUFTPWRDF-GJZGRUSLSA-N 1 2 337.383 1.392 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C1CC1 ZINC000593128926 449146515 /nfs/dbraw/zinc/14/65/15/449146515.db2.gz LXUOBVAGPJAFDH-LSDHHAIUSA-N 1 2 345.399 1.838 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C1CC1 ZINC000593128926 449146521 /nfs/dbraw/zinc/14/65/21/449146521.db2.gz LXUOBVAGPJAFDH-LSDHHAIUSA-N 1 2 345.399 1.838 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756406 449149406 /nfs/dbraw/zinc/14/94/06/449149406.db2.gz FSSXFJAVLOMKLG-VGTOOOLASA-N 1 2 331.441 1.892 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756406 449149410 /nfs/dbraw/zinc/14/94/10/449149410.db2.gz FSSXFJAVLOMKLG-VGTOOOLASA-N 1 2 331.441 1.892 20 30 EDEDLO Cc1cccc(OCCNC(=O)C[NH+]2CCN(CCC#N)CC2)c1 ZINC000611174559 449200877 /nfs/dbraw/zinc/20/08/77/449200877.db2.gz LLKZYIPUIQPYNP-UHFFFAOYSA-N 1 2 330.432 1.021 20 30 EDEDLO C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174353 449200944 /nfs/dbraw/zinc/20/09/44/449200944.db2.gz CLPNVGSCGZTIRG-CQSZACIVSA-N 1 2 334.851 1.876 20 30 EDEDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175286 449201854 /nfs/dbraw/zinc/20/18/54/449201854.db2.gz ZLFRGGVIKAZUCB-IAGOWNOFSA-N 1 2 336.480 1.229 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595823925 449186195 /nfs/dbraw/zinc/18/61/95/449186195.db2.gz UVPGGUHWQHYETG-BBRMVZONSA-N 1 2 343.431 1.573 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595823925 449186200 /nfs/dbraw/zinc/18/62/00/449186200.db2.gz UVPGGUHWQHYETG-BBRMVZONSA-N 1 2 343.431 1.573 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2c(c1)COC2 ZINC000604538696 449248492 /nfs/dbraw/zinc/24/84/92/449248492.db2.gz IPGYNIHEBFQGHN-UHFFFAOYSA-N 1 2 329.400 1.405 20 30 EDEDLO CN1CCCC[C@H]([N@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000601970929 449253389 /nfs/dbraw/zinc/25/33/89/449253389.db2.gz RASOQTSDWGZLAI-DLBZAZTESA-N 1 2 340.427 1.606 20 30 EDEDLO CN1CCCC[C@H]([N@@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000601970929 449253395 /nfs/dbraw/zinc/25/33/95/449253395.db2.gz RASOQTSDWGZLAI-DLBZAZTESA-N 1 2 340.427 1.606 20 30 EDEDLO Cc1onc(CC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1C#N ZINC000611524254 449319997 /nfs/dbraw/zinc/31/99/97/449319997.db2.gz OCVZIOFEZRVVQR-AWEZNQCLSA-N 1 2 332.404 1.111 20 30 EDEDLO C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000590762332 449282332 /nfs/dbraw/zinc/28/23/32/449282332.db2.gz SYAJQLGUARPLDD-IUODEOHRSA-N 1 2 325.372 1.138 20 30 EDEDLO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000590762332 449282336 /nfs/dbraw/zinc/28/23/36/449282336.db2.gz SYAJQLGUARPLDD-IUODEOHRSA-N 1 2 325.372 1.138 20 30 EDEDLO C[C@H]1CN(c2ccc(CNc3c(C#N)cnn3C)c[nH+]2)C[C@H](C)O1 ZINC000596077992 449352051 /nfs/dbraw/zinc/35/20/51/449352051.db2.gz XQPWLJHEFPKMJQ-STQMWFEESA-N 1 2 326.404 1.912 20 30 EDEDLO Cc1ccc(C#N)nc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000596107278 449364785 /nfs/dbraw/zinc/36/47/85/449364785.db2.gz LWBFEUAOMYSTJC-HNNXBMFYSA-N 1 2 341.459 1.831 20 30 EDEDLO C=CCSCCNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000598977752 449678230 /nfs/dbraw/zinc/67/82/30/449678230.db2.gz COSWKSJOALTLGL-UHFFFAOYSA-N 1 2 337.493 2.539 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3sccc3C2)C[C@H](C)N1CC#N ZINC000602856929 449865906 /nfs/dbraw/zinc/86/59/06/449865906.db2.gz MWKYNBAHMIKIAP-OKILXGFUSA-N 1 2 332.473 1.551 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3C2)C[C@H](C)N1CC#N ZINC000602856929 449865914 /nfs/dbraw/zinc/86/59/14/449865914.db2.gz MWKYNBAHMIKIAP-OKILXGFUSA-N 1 2 332.473 1.551 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H](C)N1CC#N ZINC000602858071 449867009 /nfs/dbraw/zinc/86/70/09/449867009.db2.gz YOVJBSSDWOBDGM-CALCHBBNSA-N 1 2 339.443 1.851 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H](C)N1CC#N ZINC000602858071 449867016 /nfs/dbraw/zinc/86/70/16/449867016.db2.gz YOVJBSSDWOBDGM-CALCHBBNSA-N 1 2 339.443 1.851 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@@H](C)N1CC#N ZINC000602858219 449867313 /nfs/dbraw/zinc/86/73/13/449867313.db2.gz QIIGFSNYUCADQY-BFYDXBDKSA-N 1 2 342.443 1.545 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@H](C)N1CC#N ZINC000602859914 449869731 /nfs/dbraw/zinc/86/97/31/449869731.db2.gz HDXCNUQWWGDXEY-UXLLHSPISA-N 1 2 342.443 1.024 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@H](C)N1CC#N ZINC000602859914 449869737 /nfs/dbraw/zinc/86/97/37/449869737.db2.gz HDXCNUQWWGDXEY-UXLLHSPISA-N 1 2 342.443 1.024 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000601373998 449888528 /nfs/dbraw/zinc/88/85/28/449888528.db2.gz KNMBPOMKXLJRLN-FZMZJTMJSA-N 1 2 341.408 1.003 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000601373998 449888531 /nfs/dbraw/zinc/88/85/31/449888531.db2.gz KNMBPOMKXLJRLN-FZMZJTMJSA-N 1 2 341.408 1.003 20 30 EDEDLO N#Cc1sccc1N1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602885288 449892370 /nfs/dbraw/zinc/89/23/70/449892370.db2.gz SORNHQXEDSDGQK-OAHLLOKOSA-N 1 2 330.457 1.895 20 30 EDEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000601376887 449892761 /nfs/dbraw/zinc/89/27/61/449892761.db2.gz VPIDIOIFQODBTL-JKSUJKDBSA-N 1 2 337.445 1.281 20 30 EDEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000601376887 449892766 /nfs/dbraw/zinc/89/27/66/449892766.db2.gz VPIDIOIFQODBTL-JKSUJKDBSA-N 1 2 337.445 1.281 20 30 EDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597248476 449895050 /nfs/dbraw/zinc/89/50/50/449895050.db2.gz XJBUYHAWVSOCLJ-MRXNPFEDSA-N 1 2 342.443 1.997 20 30 EDEDLO N#CC1(CNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CCCCC1 ZINC000597281590 449916513 /nfs/dbraw/zinc/91/65/13/449916513.db2.gz ITMKPCZAKJNBIX-UHFFFAOYSA-N 1 2 339.399 1.541 20 30 EDEDLO C[N@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602973866 449974955 /nfs/dbraw/zinc/97/49/55/449974955.db2.gz GQBDMGZDGAHLME-SJORKVTESA-N 1 2 342.443 1.515 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602973866 449974962 /nfs/dbraw/zinc/97/49/62/449974962.db2.gz GQBDMGZDGAHLME-SJORKVTESA-N 1 2 342.443 1.515 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602978460 449977849 /nfs/dbraw/zinc/97/78/49/449977849.db2.gz QYAGXXPAZNYNJK-WFASDCNBSA-N 1 2 330.388 1.967 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602978460 449977853 /nfs/dbraw/zinc/97/78/53/449977853.db2.gz QYAGXXPAZNYNJK-WFASDCNBSA-N 1 2 330.388 1.967 20 30 EDEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1C[C@@H](O)CC(C)(C)C#N ZINC000599446395 449982696 /nfs/dbraw/zinc/98/26/96/449982696.db2.gz RVNBOWDSLDCELM-LRDDRELGSA-N 1 2 328.420 1.391 20 30 EDEDLO N#Cc1cccnc1-n1cc(Nc2cc(-n3cc[nH+]c3)ncn2)cn1 ZINC000613114341 450028167 /nfs/dbraw/zinc/02/81/67/450028167.db2.gz BOHKIHWYCHGBNH-UHFFFAOYSA-N 1 2 329.327 1.858 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000609486707 450037230 /nfs/dbraw/zinc/03/72/30/450037230.db2.gz POBFOKIPPUGYON-MAUKXSAKSA-N 1 2 346.450 1.996 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000609537986 450045828 /nfs/dbraw/zinc/04/58/28/450045828.db2.gz GRJFLMVBQVGPJH-ROUUACIJSA-N 1 2 328.460 1.982 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H](C)CC#N)c2)CC1 ZINC000597540103 450093511 /nfs/dbraw/zinc/09/35/11/450093511.db2.gz FZPNAPPMRDWFRY-AWEZNQCLSA-N 1 2 328.416 1.839 20 30 EDEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595384624 450099706 /nfs/dbraw/zinc/09/97/06/450099706.db2.gz ZQELXFVHAJKDMG-SNVBAGLBSA-N 1 2 348.384 1.118 20 30 EDEDLO COC1CC[NH+](Cc2cn(Cc3cccc(C#N)c3F)nn2)CC1 ZINC000603237254 450166232 /nfs/dbraw/zinc/16/62/32/450166232.db2.gz PKCNNSKWFQMIQM-UHFFFAOYSA-N 1 2 329.379 1.948 20 30 EDEDLO N#CC1(c2ccccn2)CC[NH+](Cc2coc(S(N)(=O)=O)c2)CC1 ZINC000595472518 450166395 /nfs/dbraw/zinc/16/63/95/450166395.db2.gz MBOUCWWHNGGIKV-UHFFFAOYSA-N 1 2 346.412 1.379 20 30 EDEDLO COc1cc(C#N)ccc1Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000603240233 450168174 /nfs/dbraw/zinc/16/81/74/450168174.db2.gz DBWGHWYOPXCFLU-UHFFFAOYSA-N 1 2 329.429 1.755 20 30 EDEDLO N#Cc1cc(Br)ccc1Cn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000603242280 450170352 /nfs/dbraw/zinc/17/03/52/450170352.db2.gz RINSEHUGGOPOEY-AWEZNQCLSA-N 1 2 348.204 1.621 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3c(C#N)cnn3-c3ccccc3)CC2)cn1 ZINC000603290816 450216532 /nfs/dbraw/zinc/21/65/32/450216532.db2.gz GXRFNOAXWIATII-UHFFFAOYSA-N 1 2 347.426 1.800 20 30 EDEDLO C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000595538045 450217283 /nfs/dbraw/zinc/21/72/83/450217283.db2.gz GIEMIDPPPWHCAS-RHSMWYFYSA-N 1 2 328.416 1.735 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000597677627 450189081 /nfs/dbraw/zinc/18/90/81/450189081.db2.gz GSESGDTVDCEKMY-OAHLLOKOSA-N 1 2 348.472 1.475 20 30 EDEDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000601734288 450198852 /nfs/dbraw/zinc/19/88/52/450198852.db2.gz IXMHGPXOSAMIDE-LBPRGKRZSA-N 1 2 342.321 1.375 20 30 EDEDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000601734288 450198856 /nfs/dbraw/zinc/19/88/56/450198856.db2.gz IXMHGPXOSAMIDE-LBPRGKRZSA-N 1 2 342.321 1.375 20 30 EDEDLO COC[C@@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1ccco1 ZINC000625316985 450288767 /nfs/dbraw/zinc/28/87/67/450288767.db2.gz BIBVXNMFIFNFKT-MRXNPFEDSA-N 1 2 338.363 1.856 20 30 EDEDLO C=C[C@@](C)(O)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000613745904 450294180 /nfs/dbraw/zinc/29/41/80/450294180.db2.gz PXEHXJOADYUBIH-RDTXWAMCSA-N 1 2 331.416 1.599 20 30 EDEDLO CS(=O)(=O)N1CCN(c2ccc(N[C@@H]3CC[C@H](C#N)C3)c[nH+]2)CC1 ZINC000619673743 450304745 /nfs/dbraw/zinc/30/47/45/450304745.db2.gz GQLZRMAOTHEGEG-UONOGXRCSA-N 1 2 349.460 1.267 20 30 EDEDLO CC(=O)NCC(=O)N1CCC[N@H+](CC#Cc2ccccc2Cl)CC1 ZINC000625961797 450544308 /nfs/dbraw/zinc/54/43/08/450544308.db2.gz UMWBKOYUNGWXAQ-UHFFFAOYSA-N 1 2 347.846 1.362 20 30 EDEDLO CC(=O)NCC(=O)N1CCC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC000625961797 450544310 /nfs/dbraw/zinc/54/43/10/450544310.db2.gz UMWBKOYUNGWXAQ-UHFFFAOYSA-N 1 2 347.846 1.362 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626141318 450582390 /nfs/dbraw/zinc/58/23/90/450582390.db2.gz OLWFNXXANPRTCC-GFCCVEGCSA-N 1 2 333.388 1.019 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626141318 450582391 /nfs/dbraw/zinc/58/23/91/450582391.db2.gz OLWFNXXANPRTCC-GFCCVEGCSA-N 1 2 333.388 1.019 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633283518 450772996 /nfs/dbraw/zinc/77/29/96/450772996.db2.gz NPIOTPFIYXLNAU-SJORKVTESA-N 1 2 345.447 1.080 20 30 EDEDLO C=C(C)C[C@@H]1NC(=O)N(C[C@H](c2ccccc2)[NH+]2CCOCC2)C1=O ZINC000630970598 451515398 /nfs/dbraw/zinc/51/53/98/451515398.db2.gz OHVHGDSUGPLQRS-DLBZAZTESA-N 1 2 343.427 1.947 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)nn1 ZINC000640781210 451577867 /nfs/dbraw/zinc/57/78/67/451577867.db2.gz LBIAXVUITUYTKJ-ZDUSSCGKSA-N 1 2 339.399 1.793 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)n1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000640920104 451690971 /nfs/dbraw/zinc/69/09/71/451690971.db2.gz MJGOKCBKLMPJMP-HNNXBMFYSA-N 1 2 347.463 1.651 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)nn1 ZINC000653776906 452110026 /nfs/dbraw/zinc/11/00/26/452110026.db2.gz FRDMHDWMDKRMML-CYBMUJFWSA-N 1 2 331.342 1.355 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)nn1 ZINC000657432217 452246156 /nfs/dbraw/zinc/24/61/56/452246156.db2.gz CUTZLIYNHWJJOG-MRXNPFEDSA-N 1 2 326.404 1.534 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000662079301 452824929 /nfs/dbraw/zinc/82/49/29/452824929.db2.gz MEDMTNQZHBILQC-ZNMIVQPWSA-N 1 2 326.462 1.205 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000662079301 452824937 /nfs/dbraw/zinc/82/49/37/452824937.db2.gz MEDMTNQZHBILQC-ZNMIVQPWSA-N 1 2 326.462 1.205 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)nn1 ZINC000648266164 452956357 /nfs/dbraw/zinc/95/63/57/452956357.db2.gz PJQQHHLPQIQORS-GFCCVEGCSA-N 1 2 328.420 1.703 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660633729 453475240 /nfs/dbraw/zinc/47/52/40/453475240.db2.gz BWVHKRSVNWCMRY-QGZVFWFLSA-N 1 2 345.443 1.868 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000668055014 487080287 /nfs/dbraw/zinc/08/02/87/487080287.db2.gz OHIGJDKWRNVZDM-GFCCVEGCSA-N 1 2 346.353 1.875 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1-n1cncn1)[C@@H]1CCS(=O)(=O)C1 ZINC000678204663 487265364 /nfs/dbraw/zinc/26/53/64/487265364.db2.gz HMBSPMMEKHXNRV-OAHLLOKOSA-N 1 2 332.429 1.442 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1-n1cncn1)[C@@H]1CCS(=O)(=O)C1 ZINC000678204663 487265367 /nfs/dbraw/zinc/26/53/67/487265367.db2.gz HMBSPMMEKHXNRV-OAHLLOKOSA-N 1 2 332.429 1.442 20 30 EDEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)CCN1CCCS1(=O)=O ZINC000674462580 487260873 /nfs/dbraw/zinc/26/08/73/487260873.db2.gz VCBNLSUYAJQFFP-UHFFFAOYSA-N 1 2 326.849 1.659 20 30 EDEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)CCN1CCCS1(=O)=O ZINC000674462580 487260876 /nfs/dbraw/zinc/26/08/76/487260876.db2.gz VCBNLSUYAJQFFP-UHFFFAOYSA-N 1 2 326.849 1.659 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000053423231 487435772 /nfs/dbraw/zinc/43/57/72/487435772.db2.gz GNFDIIHHPHPRRK-UHFFFAOYSA-N 1 2 339.443 1.358 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000266007286 534861951 /nfs/dbraw/zinc/86/19/51/534861951.db2.gz QRHRCIHRIWCWKR-HUUCEWRRSA-N 1 2 345.447 1.161 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000266007286 534861954 /nfs/dbraw/zinc/86/19/54/534861954.db2.gz QRHRCIHRIWCWKR-HUUCEWRRSA-N 1 2 345.447 1.161 20 30 EDEDLO CCC(CC)(NC(=O)C1C[NH+](Cc2cc(C#N)ccc2F)C1)C(N)=O ZINC000353203853 534996825 /nfs/dbraw/zinc/99/68/25/534996825.db2.gz MKWFXZWAMUSVJD-UHFFFAOYSA-N 1 2 346.406 1.289 20 30 EDEDLO CC(C)(CNC(=O)CN1CCc2ccc(C#N)cc21)[NH+]1CCOCC1 ZINC000270202558 535102122 /nfs/dbraw/zinc/10/21/22/535102122.db2.gz CJNWXZYNLNTSAE-UHFFFAOYSA-N 1 2 342.443 1.148 20 30 EDEDLO N#CCn1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000741210110 579401130 /nfs/dbraw/zinc/40/11/30/579401130.db2.gz UJERXNWGWZBMHA-MRXNPFEDSA-N 1 2 325.372 1.246 20 30 EDEDLO N#CCn1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000741210110 579401131 /nfs/dbraw/zinc/40/11/31/579401131.db2.gz UJERXNWGWZBMHA-MRXNPFEDSA-N 1 2 325.372 1.246 20 30 EDEDLO C=CCNC(=O)COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741356928 579412832 /nfs/dbraw/zinc/41/28/32/579412832.db2.gz ROYMNCFDAWEESA-MRXNPFEDSA-N 1 2 332.400 1.123 20 30 EDEDLO C=CCNC(=O)COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741356928 579412833 /nfs/dbraw/zinc/41/28/33/579412833.db2.gz ROYMNCFDAWEESA-MRXNPFEDSA-N 1 2 332.400 1.123 20 30 EDEDLO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[NH+]2CCC(C)(O)CC2)C1=O ZINC000759752391 580013921 /nfs/dbraw/zinc/01/39/21/580013921.db2.gz SATIREAPGIKTPQ-SFHVURJKSA-N 1 2 342.399 1.130 20 30 EDEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726253645 578338121 /nfs/dbraw/zinc/33/81/21/578338121.db2.gz DYACJFASGSPSPG-OAHLLOKOSA-N 1 2 333.407 1.691 20 30 EDEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726253645 578338122 /nfs/dbraw/zinc/33/81/22/578338122.db2.gz DYACJFASGSPSPG-OAHLLOKOSA-N 1 2 333.407 1.691 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)cn1 ZINC000728859562 578553156 /nfs/dbraw/zinc/55/31/56/578553156.db2.gz RFAXOVGBFOFGBV-UHFFFAOYSA-N 1 2 348.406 1.120 20 30 EDEDLO C=C(C)CNC(=S)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000729160264 578560328 /nfs/dbraw/zinc/56/03/28/578560328.db2.gz MLXFJXCELUOCSG-UHFFFAOYSA-N 1 2 347.488 1.324 20 30 EDEDLO COCC[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000731211529 578670847 /nfs/dbraw/zinc/67/08/47/578670847.db2.gz MQXQGRIDPNLFED-HNNXBMFYSA-N 1 2 338.429 1.224 20 30 EDEDLO COCC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000731211529 578670848 /nfs/dbraw/zinc/67/08/48/578670848.db2.gz MQXQGRIDPNLFED-HNNXBMFYSA-N 1 2 338.429 1.224 20 30 EDEDLO CC(C)CCN=Nc1ncccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000734750000 578835452 /nfs/dbraw/zinc/83/54/52/578835452.db2.gz IFAKQJNLYFWTSJ-UHFFFAOYSA-N 1 2 339.465 1.462 20 30 EDEDLO C=CCN1CC(=O)N(C[C@H](c2cccs2)[NH+]2CCOCC2)C1=O ZINC000760924462 580041595 /nfs/dbraw/zinc/04/15/95/580041595.db2.gz ADUPIGUVTYGTFQ-CYBMUJFWSA-N 1 2 335.429 1.572 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(C)ccc3ncccc32)CC1 ZINC000744245554 579505102 /nfs/dbraw/zinc/50/51/02/579505102.db2.gz ZLIDNVHQBABYRY-UHFFFAOYSA-N 1 2 343.452 1.873 20 30 EDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000745079562 579536529 /nfs/dbraw/zinc/53/65/29/579536529.db2.gz NADALVLCLCWTES-MRXNPFEDSA-N 1 2 329.400 1.961 20 30 EDEDLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000745079562 579536531 /nfs/dbraw/zinc/53/65/31/579536531.db2.gz NADALVLCLCWTES-MRXNPFEDSA-N 1 2 329.400 1.961 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000746853189 579613122 /nfs/dbraw/zinc/61/31/22/579613122.db2.gz QXXUVSVGWHKMPM-UHFFFAOYSA-N 1 2 335.448 1.601 20 30 EDEDLO N#CCC[C@@H](NC(=S)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000747707690 579655095 /nfs/dbraw/zinc/65/50/95/579655095.db2.gz ABXUYMHNNCFKCU-MRXNPFEDSA-N 1 2 332.473 1.828 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)NC2(c3cccc(C#N)c3)CC2)CCO1 ZINC000749186572 579715729 /nfs/dbraw/zinc/71/57/29/579715729.db2.gz POMXMKRXMGYBCU-AWEZNQCLSA-N 1 2 328.416 1.567 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)NC2(c3cccc(C#N)c3)CC2)CCO1 ZINC000749186572 579715730 /nfs/dbraw/zinc/71/57/30/579715730.db2.gz POMXMKRXMGYBCU-AWEZNQCLSA-N 1 2 328.416 1.567 20 30 EDEDLO CCOc1cccc(C=[NH+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O ZINC000751890265 579826514 /nfs/dbraw/zinc/82/65/14/579826514.db2.gz LMIBCGILSADFKK-ONORYSHOSA-N 1 2 345.399 1.930 20 30 EDEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]CC(=O)NCCC#N)n1 ZINC000755041681 579918735 /nfs/dbraw/zinc/91/87/35/579918735.db2.gz RUNMLOHRHGGBOV-LLVKDONJSA-N 1 2 329.360 1.426 20 30 EDEDLO Cc1ccnc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCOCC2)c1 ZINC000755903255 579937631 /nfs/dbraw/zinc/93/76/31/579937631.db2.gz ONSPLAJJRJOGHY-UHFFFAOYSA-N 1 2 347.810 1.698 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCNc2ncccc2C#N)C1 ZINC000756689286 579955064 /nfs/dbraw/zinc/95/50/64/579955064.db2.gz KKDJRFYYJYMQHD-CQSZACIVSA-N 1 2 339.403 1.298 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000762925110 580088092 /nfs/dbraw/zinc/08/80/92/580088092.db2.gz KOIRIBOQPMJNRZ-VZWMTCDZSA-N 1 2 342.443 1.610 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000762925110 580088093 /nfs/dbraw/zinc/08/80/93/580088093.db2.gz KOIRIBOQPMJNRZ-VZWMTCDZSA-N 1 2 342.443 1.610 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000765803179 580151686 /nfs/dbraw/zinc/15/16/86/580151686.db2.gz PZYQSWHMCQZGIF-INIZCTEOSA-N 1 2 329.375 1.099 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000765803179 580151687 /nfs/dbraw/zinc/15/16/87/580151687.db2.gz PZYQSWHMCQZGIF-INIZCTEOSA-N 1 2 329.375 1.099 20 30 EDEDLO CNC(=O)CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766635804 580170862 /nfs/dbraw/zinc/17/08/62/580170862.db2.gz CFNZIEBGBZMZGE-UHFFFAOYSA-N 1 2 328.416 1.014 20 30 EDEDLO N#CCN1CC[NH+](Cc2ccccc2I)CC1 ZINC000769299068 580233139 /nfs/dbraw/zinc/23/31/39/580233139.db2.gz SZMSIISNDSXUNB-UHFFFAOYSA-N 1 2 341.196 1.932 20 30 EDEDLO NS(=O)(=O)c1ccccc1N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000773126527 580327878 /nfs/dbraw/zinc/32/78/78/580327878.db2.gz ZBBVFSVDAMMGAD-UHFFFAOYSA-N 1 2 345.428 1.775 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCCO1 ZINC000773563832 580341591 /nfs/dbraw/zinc/34/15/91/580341591.db2.gz UXPGFNIUFXLAFB-CVEARBPZSA-N 1 2 333.457 1.756 20 30 EDEDLO C[N@H+](CC(=O)[C@@H](C#N)C(=O)NCc1ccccc1)[C@H]1CCSC1 ZINC000773973492 580350770 /nfs/dbraw/zinc/35/07/70/580350770.db2.gz FIEXTMLJLQAGLS-LSDHHAIUSA-N 1 2 331.441 1.449 20 30 EDEDLO C[N@@H+](CC(=O)[C@@H](C#N)C(=O)NCc1ccccc1)[C@H]1CCSC1 ZINC000773973492 580350771 /nfs/dbraw/zinc/35/07/71/580350771.db2.gz FIEXTMLJLQAGLS-LSDHHAIUSA-N 1 2 331.441 1.449 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)[C@@H](C#N)C1 ZINC000779418892 580485275 /nfs/dbraw/zinc/48/52/75/580485275.db2.gz TWEXCHKILUCFFW-OUJBWJOFSA-N 1 2 337.342 1.648 20 30 EDEDLO CC1(C#N)CC[NH+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000779878814 580500711 /nfs/dbraw/zinc/50/07/11/580500711.db2.gz DQENHFOWKXHMAF-UHFFFAOYSA-N 1 2 340.383 1.561 20 30 EDEDLO CC1(C#N)CC[NH+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC1 ZINC000779880209 580500785 /nfs/dbraw/zinc/50/07/85/580500785.db2.gz XQTVMUYDWRFHMU-UHFFFAOYSA-N 1 2 332.404 1.693 20 30 EDEDLO C[NH+](C)[C@@H](C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000780093914 580512659 /nfs/dbraw/zinc/51/26/59/580512659.db2.gz HXXJOGLHKNEGGW-AEFFLSMTSA-N 1 2 329.400 1.641 20 30 EDEDLO CC[N@H+](C)[C@H](C(=O)OCCn1ncc(C#N)c1N)c1ccccc1 ZINC000780353710 580519450 /nfs/dbraw/zinc/51/94/50/580519450.db2.gz GHAONYVXGIMGRY-HNNXBMFYSA-N 1 2 327.388 1.573 20 30 EDEDLO CC[N@@H+](C)[C@H](C(=O)OCCn1ncc(C#N)c1N)c1ccccc1 ZINC000780353710 580519451 /nfs/dbraw/zinc/51/94/51/580519451.db2.gz GHAONYVXGIMGRY-HNNXBMFYSA-N 1 2 327.388 1.573 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781997212 580563072 /nfs/dbraw/zinc/56/30/72/580563072.db2.gz AXQPAMUNFPKIKJ-AWEZNQCLSA-N 1 2 329.356 1.347 20 30 EDEDLO COc1ccc(N2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)cc1F ZINC000784341965 580618901 /nfs/dbraw/zinc/61/89/01/580618901.db2.gz NVHVUNLPVGWBAQ-UHFFFAOYSA-N 1 2 346.406 1.519 20 30 EDEDLO CO[C@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC[C@@H]1C ZINC000784364907 580619531 /nfs/dbraw/zinc/61/95/31/580619531.db2.gz JMTUXEGXNBYAJK-BBRMVZONSA-N 1 2 326.400 1.777 20 30 EDEDLO CO[C@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC[C@@H]1C ZINC000784364907 580619532 /nfs/dbraw/zinc/61/95/32/580619532.db2.gz JMTUXEGXNBYAJK-BBRMVZONSA-N 1 2 326.400 1.777 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000784917995 580631828 /nfs/dbraw/zinc/63/18/28/580631828.db2.gz KKCDJLZZILNZHO-CRAIPNDOSA-N 1 2 343.427 1.791 20 30 EDEDLO C#CCCCNC(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000787196978 580689150 /nfs/dbraw/zinc/68/91/50/580689150.db2.gz ISTJSZJOHZPWLV-UHFFFAOYSA-N 1 2 342.443 1.608 20 30 EDEDLO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000789519656 580748398 /nfs/dbraw/zinc/74/83/98/580748398.db2.gz MIZYRKLPLLMKGP-LBPRGKRZSA-N 1 2 336.465 1.355 20 30 EDEDLO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000789519656 580748399 /nfs/dbraw/zinc/74/83/99/580748399.db2.gz MIZYRKLPLLMKGP-LBPRGKRZSA-N 1 2 336.465 1.355 20 30 EDEDLO NC(=NOCc1ncccn1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000790499659 580771810 /nfs/dbraw/zinc/77/18/10/580771810.db2.gz WXWAAJYHPGHPIV-UHFFFAOYSA-N 1 2 327.388 1.146 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2F)CC1 ZINC000790834506 580779726 /nfs/dbraw/zinc/77/97/26/580779726.db2.gz BELDTLCGAOPBKD-UHFFFAOYSA-N 1 2 326.393 1.164 20 30 EDEDLO CC1(C)SC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000793594540 580848640 /nfs/dbraw/zinc/84/86/40/580848640.db2.gz ZZQUSWZDEAYFFY-GFCCVEGCSA-N 1 2 346.412 1.838 20 30 EDEDLO CC1(C)SC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000793594540 580848641 /nfs/dbraw/zinc/84/86/41/580848641.db2.gz ZZQUSWZDEAYFFY-GFCCVEGCSA-N 1 2 346.412 1.838 20 30 EDEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1=S ZINC000794629597 580900586 /nfs/dbraw/zinc/90/05/86/580900586.db2.gz XWHWDEXCBVOJNA-ZDUSSCGKSA-N 1 2 348.476 1.309 20 30 EDEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1=S ZINC000794629597 580900587 /nfs/dbraw/zinc/90/05/87/580900587.db2.gz XWHWDEXCBVOJNA-ZDUSSCGKSA-N 1 2 348.476 1.309 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000795045250 580911202 /nfs/dbraw/zinc/91/12/02/580911202.db2.gz WZPYGOXRBSDABM-QGZVFWFLSA-N 1 2 327.363 1.343 20 30 EDEDLO Cc1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1C#N ZINC000799625931 581033150 /nfs/dbraw/zinc/03/31/50/581033150.db2.gz VADYCWGIOASSPG-UHFFFAOYSA-N 1 2 349.456 1.106 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000802013354 581089752 /nfs/dbraw/zinc/08/97/52/581089752.db2.gz APOVLNYKSPCVFI-SCLBCKFNSA-N 1 2 340.358 1.630 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000802013354 581089753 /nfs/dbraw/zinc/08/97/53/581089753.db2.gz APOVLNYKSPCVFI-SCLBCKFNSA-N 1 2 340.358 1.630 20 30 EDEDLO CC(C)(C)c1nc(N2CCN(c3ccccc3C#N)CC2)nc(N)[nH+]1 ZINC000892246671 590884477 /nfs/dbraw/zinc/88/44/77/590884477.db2.gz XYNOKGJAOILGNE-UHFFFAOYSA-N 1 2 337.431 1.950 20 30 EDEDLO COC(=O)[C@H]1[C@H](C[NH+]2CCN(c3ncccc3C#N)CC2)C1(F)F ZINC000893916489 591137143 /nfs/dbraw/zinc/13/71/43/591137143.db2.gz ITMSKOPLVWQOMC-QWHCGFSZSA-N 1 2 336.342 1.130 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C#N)c(F)cc2C)C1 ZINC000891604188 591145153 /nfs/dbraw/zinc/14/51/53/591145153.db2.gz VWMZGPPSJBTYAR-CQSZACIVSA-N 1 2 342.374 1.158 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C#N)c(F)cc2C)C1 ZINC000891604188 591145154 /nfs/dbraw/zinc/14/51/54/591145154.db2.gz VWMZGPPSJBTYAR-CQSZACIVSA-N 1 2 342.374 1.158 20 30 EDEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3nccn3C3CC3)C2=O)cc1 ZINC000894004829 591165830 /nfs/dbraw/zinc/16/58/30/591165830.db2.gz ALUBRPZDIJPNPM-KRWDZBQOSA-N 1 2 335.411 1.980 20 30 EDEDLO COC(=O)[C@@H]1[C@@H](C[NH+]2CCN(c3cnccc3C#N)CC2)C1(F)F ZINC000894844507 591440747 /nfs/dbraw/zinc/44/07/47/591440747.db2.gz QUPGAGRNTXMRMT-OCCSQVGLSA-N 1 2 336.342 1.130 20 30 EDEDLO Cn1c[nH+]c(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000898629857 591442947 /nfs/dbraw/zinc/44/29/47/591442947.db2.gz VUEPGEVDUBMWMS-UHFFFAOYSA-N 1 2 338.415 1.714 20 30 EDEDLO Cn1c2ccc(C[NH+]3CCN(C(=O)CC#N)CC3)cc2sc1=O ZINC000895066943 591561117 /nfs/dbraw/zinc/56/11/17/591561117.db2.gz ZWBOAEJXCVRQNI-UHFFFAOYSA-N 1 2 330.413 1.158 20 30 EDEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000898896535 591590862 /nfs/dbraw/zinc/59/08/62/591590862.db2.gz VOYWPUUBYUXRKY-CQSZACIVSA-N 1 2 328.347 1.312 20 30 EDEDLO C#Cc1ccc(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)cc1 ZINC000899027751 591641645 /nfs/dbraw/zinc/64/16/45/591641645.db2.gz ZSLBAGHJUDINPG-ZWKOTPCHSA-N 1 2 333.391 1.659 20 30 EDEDLO C#CCCCNC(=O)C(=O)N1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000897774606 591651123 /nfs/dbraw/zinc/65/11/23/591651123.db2.gz ZJGLRLBOWIUVJX-UHFFFAOYSA-N 1 2 341.455 1.423 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3C[C@]4(CCCOC4)C3=O)C2)nc1 ZINC000902279283 591961364 /nfs/dbraw/zinc/96/13/64/591961364.db2.gz VJZRZWZVWWUBDA-YJBOKZPZSA-N 1 2 342.399 1.003 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3C[C@]4(CCCOC4)C3=O)C2)nc1 ZINC000902279283 591961367 /nfs/dbraw/zinc/96/13/67/591961367.db2.gz VJZRZWZVWWUBDA-YJBOKZPZSA-N 1 2 342.399 1.003 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2sc(C)cc2C)CC1 ZINC000900584818 592069972 /nfs/dbraw/zinc/06/99/72/592069972.db2.gz BOIXLWPNSWOTJF-UHFFFAOYSA-N 1 2 347.484 1.191 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2sc(C)cc2C)CC1 ZINC000900584818 592069975 /nfs/dbraw/zinc/06/99/75/592069975.db2.gz BOIXLWPNSWOTJF-UHFFFAOYSA-N 1 2 347.484 1.191 20 30 EDEDLO N#C[C@H]1COCCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900845781 592145627 /nfs/dbraw/zinc/14/56/27/592145627.db2.gz CRZVPHKQLRNIHE-INIZCTEOSA-N 1 2 325.372 1.360 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000908072518 592306129 /nfs/dbraw/zinc/30/61/29/592306129.db2.gz JXXNUBRHGBZBCF-ROUUACIJSA-N 1 2 327.428 1.649 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000908072518 592306132 /nfs/dbraw/zinc/30/61/32/592306132.db2.gz JXXNUBRHGBZBCF-ROUUACIJSA-N 1 2 327.428 1.649 20 30 EDEDLO N#C[C@@]1(C(=O)N2CC[NH+](CCn3cncn3)CC2)CC2CCC1CC2 ZINC000906775077 592327767 /nfs/dbraw/zinc/32/77/67/592327767.db2.gz NUOJHHOHTGDXLW-HTWSVDAQSA-N 1 2 342.447 1.142 20 30 EDEDLO O[C@@H]1CCCC[C@H]1NN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000901332970 592332575 /nfs/dbraw/zinc/33/25/75/592332575.db2.gz UJVWXNBJHWXJQM-RTBURBONSA-N 1 2 347.459 1.625 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C(F)(F)c1ccccc1C#N ZINC000908146573 592335785 /nfs/dbraw/zinc/33/57/85/592335785.db2.gz UONKWOOPDCSYNQ-ZFWWWQNUSA-N 1 2 349.381 1.972 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3nccnc3Cl)CC2)cc1 ZINC000905248014 592475876 /nfs/dbraw/zinc/47/58/76/592475876.db2.gz BWGUAKDMEDNNBX-UHFFFAOYSA-N 1 2 341.802 1.960 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000907062236 592500889 /nfs/dbraw/zinc/50/08/89/592500889.db2.gz CTECUEHJMLURQO-AEFFLSMTSA-N 1 2 348.468 1.399 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)cc1 ZINC000907263020 592576046 /nfs/dbraw/zinc/57/60/46/592576046.db2.gz RETBWSRKTKOYRX-IRXDYDNUSA-N 1 2 348.468 1.446 20 30 EDEDLO C=CC[C@H]([NH2+][C@H](Cc1ccccc1)CN1CCOCC1)C(=O)OC ZINC000905759123 592638154 /nfs/dbraw/zinc/63/81/54/592638154.db2.gz IWRADUOSWBWKTI-MSOLQXFVSA-N 1 2 332.444 1.637 20 30 EDEDLO C=CC[C@H](N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)C(=O)OC ZINC000905759123 592638156 /nfs/dbraw/zinc/63/81/56/592638156.db2.gz IWRADUOSWBWKTI-MSOLQXFVSA-N 1 2 332.444 1.637 20 30 EDEDLO N#Cc1cc(Cl)cc(Cn2cc(CC[NH+]3CCOCC3)nn2)c1 ZINC000905840111 592651792 /nfs/dbraw/zinc/65/17/92/592651792.db2.gz TZNGOPWTMFDSRG-UHFFFAOYSA-N 1 2 331.807 1.726 20 30 EDEDLO C/C(=C\C(=O)N[C@H]1CCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000907822070 592805353 /nfs/dbraw/zinc/80/53/53/592805353.db2.gz SFZKGJUKWRMEGI-MDNBWPLSSA-N 1 2 325.412 1.940 20 30 EDEDLO CC[C@H](C(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911712168 592985921 /nfs/dbraw/zinc/98/59/21/592985921.db2.gz SWTPQVFCCNTOMJ-MWDXBVQZSA-N 1 2 336.480 1.321 20 30 EDEDLO CC[C@H](C(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911712168 592985924 /nfs/dbraw/zinc/98/59/24/592985924.db2.gz SWTPQVFCCNTOMJ-MWDXBVQZSA-N 1 2 336.480 1.321 20 30 EDEDLO C#CCCCNC(=O)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000806914849 593127560 /nfs/dbraw/zinc/12/75/60/593127560.db2.gz GROKRSMRUBJLMQ-UHFFFAOYSA-N 1 2 347.484 1.484 20 30 EDEDLO CN(C)c1c(C=[NH+]Nc2ccccc2Cl)c(=O)n(C)c(=O)n1C ZINC000807944222 593212189 /nfs/dbraw/zinc/21/21/89/593212189.db2.gz UVERTHKCAUONQU-UHFFFAOYSA-N 1 2 335.795 1.249 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2ccccc2COC)CC1 ZINC000804969505 593322399 /nfs/dbraw/zinc/32/23/99/593322399.db2.gz GENOCVFJEGZUTF-UHFFFAOYSA-N 1 2 336.457 1.304 20 30 EDEDLO C[C@@H](c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1)n1cnc(C#N)n1 ZINC000809418365 593337476 /nfs/dbraw/zinc/33/74/76/593337476.db2.gz SMOOQSAWABSUAT-JTQLQIEISA-N 1 2 333.315 1.390 20 30 EDEDLO COC(=O)[C@@H](NC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1)C(C)C ZINC000809995163 593374103 /nfs/dbraw/zinc/37/41/03/593374103.db2.gz MPWXROMFQUHOQB-AWEZNQCLSA-N 1 2 339.367 1.085 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810073178 593380230 /nfs/dbraw/zinc/38/02/30/593380230.db2.gz QAPSIYUDVRZXGI-CYBMUJFWSA-N 1 2 338.452 1.546 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810073178 593380233 /nfs/dbraw/zinc/38/02/33/593380233.db2.gz QAPSIYUDVRZXGI-CYBMUJFWSA-N 1 2 338.452 1.546 20 30 EDEDLO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCOC1 ZINC000812878875 593511834 /nfs/dbraw/zinc/51/18/34/593511834.db2.gz JHCQUIQVIXUTAG-TZMCWYRMSA-N 1 2 340.383 1.622 20 30 EDEDLO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCOC1 ZINC000812878875 593511835 /nfs/dbraw/zinc/51/18/35/593511835.db2.gz JHCQUIQVIXUTAG-TZMCWYRMSA-N 1 2 340.383 1.622 20 30 EDEDLO O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000816756539 593548285 /nfs/dbraw/zinc/54/82/85/593548285.db2.gz ZJNDUSOJEOOFPG-CABCVRRESA-N 1 2 335.379 1.287 20 30 EDEDLO O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000816756539 593548287 /nfs/dbraw/zinc/54/82/87/593548287.db2.gz ZJNDUSOJEOOFPG-CABCVRRESA-N 1 2 335.379 1.287 20 30 EDEDLO CC(=[NH+]NC[C@@H](C)O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000814959703 593607951 /nfs/dbraw/zinc/60/79/51/593607951.db2.gz LAYBYCXHLOHRBK-MRVPVSSYSA-N 1 2 338.205 1.985 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(OC[C@H]2CCCO2)cc1 ZINC000819411137 593753832 /nfs/dbraw/zinc/75/38/32/593753832.db2.gz KQMBSALWPUOMJU-SJLPKXTDSA-N 1 2 333.432 1.863 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(OC[C@H]2CCCO2)cc1 ZINC000819411137 593753833 /nfs/dbraw/zinc/75/38/33/593753833.db2.gz KQMBSALWPUOMJU-SJLPKXTDSA-N 1 2 333.432 1.863 20 30 EDEDLO N#Cc1c(=O)n(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc2c1CCCC2 ZINC000819896718 593775083 /nfs/dbraw/zinc/77/50/83/593775083.db2.gz HIFLVORPYUYEOZ-OAHLLOKOSA-N 1 2 338.415 1.485 20 30 EDEDLO N#Cc1c(=O)n(C[N@H+]2CCC[C@@H](n3ccnn3)C2)cc2c1CCCC2 ZINC000819896718 593775084 /nfs/dbraw/zinc/77/50/84/593775084.db2.gz HIFLVORPYUYEOZ-OAHLLOKOSA-N 1 2 338.415 1.485 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1 ZINC000824160209 593941064 /nfs/dbraw/zinc/94/10/64/593941064.db2.gz INSWXDCKTNSHKQ-INIZCTEOSA-N 1 2 343.475 1.807 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1 ZINC000824160209 593941066 /nfs/dbraw/zinc/94/10/66/593941066.db2.gz INSWXDCKTNSHKQ-INIZCTEOSA-N 1 2 343.475 1.807 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000824160209 593941068 /nfs/dbraw/zinc/94/10/68/593941068.db2.gz INSWXDCKTNSHKQ-INIZCTEOSA-N 1 2 343.475 1.807 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000824160209 593941071 /nfs/dbraw/zinc/94/10/71/593941071.db2.gz INSWXDCKTNSHKQ-INIZCTEOSA-N 1 2 343.475 1.807 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000824160209 593941074 /nfs/dbraw/zinc/94/10/74/593941074.db2.gz INSWXDCKTNSHKQ-INIZCTEOSA-N 1 2 343.475 1.807 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000824160209 593941077 /nfs/dbraw/zinc/94/10/77/593941077.db2.gz INSWXDCKTNSHKQ-INIZCTEOSA-N 1 2 343.475 1.807 20 30 EDEDLO COc1cc([C@@H](C#N)NC(=O)Cc2[nH]cc[nH+]2)cc(OC)c1OC ZINC000825050260 594122183 /nfs/dbraw/zinc/12/21/83/594122183.db2.gz QKFDQLUFARCAGT-LLVKDONJSA-N 1 2 330.344 1.359 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000829991849 594309292 /nfs/dbraw/zinc/30/92/92/594309292.db2.gz ONRLANJCVMDNFS-ZIAGYGMSSA-N 1 2 325.206 1.833 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000829991849 594309295 /nfs/dbraw/zinc/30/92/95/594309295.db2.gz ONRLANJCVMDNFS-ZIAGYGMSSA-N 1 2 325.206 1.833 20 30 EDEDLO COc1cccc([C@@H](C#N)NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c1OC ZINC000826143088 594344035 /nfs/dbraw/zinc/34/40/35/594344035.db2.gz SBVITJKJHQTJSV-IAQYHMDHSA-N 1 2 340.383 1.913 20 30 EDEDLO COc1cccc([C@@H](C#N)NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c1OC ZINC000826143088 594344038 /nfs/dbraw/zinc/34/40/38/594344038.db2.gz SBVITJKJHQTJSV-IAQYHMDHSA-N 1 2 340.383 1.913 20 30 EDEDLO C#CC1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000828115539 594344318 /nfs/dbraw/zinc/34/43/18/594344318.db2.gz ZCWVXICCPVOLTH-UHFFFAOYSA-N 1 2 329.425 1.965 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)S1 ZINC000830759952 594472106 /nfs/dbraw/zinc/47/21/06/594472106.db2.gz KJZYJQIZTCXIDI-GFCCVEGCSA-N 1 2 344.506 1.365 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccsc2Cl)CC1 ZINC000826549197 594522842 /nfs/dbraw/zinc/52/28/42/594522842.db2.gz ASTWHDSGUYOGNJ-UHFFFAOYSA-N 1 2 339.848 1.299 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccsc2Cl)CC1 ZINC000826549197 594522843 /nfs/dbraw/zinc/52/28/43/594522843.db2.gz ASTWHDSGUYOGNJ-UHFFFAOYSA-N 1 2 339.848 1.299 20 30 EDEDLO CON=C(C(=O)NC[C@H]1c2ccccc2C[N@H+]1C)c1csc(N)n1 ZINC000826688031 594555851 /nfs/dbraw/zinc/55/58/51/594555851.db2.gz CIEREDSUNSLAJG-ZDUSSCGKSA-N 1 2 345.428 1.379 20 30 EDEDLO CON=C(C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)c1csc(N)n1 ZINC000826688031 594555853 /nfs/dbraw/zinc/55/58/53/594555853.db2.gz CIEREDSUNSLAJG-ZDUSSCGKSA-N 1 2 345.428 1.379 20 30 EDEDLO NC(C[NH+]1CCSCC1)=NOCc1nc(-c2ccccc2)no1 ZINC000121439643 594875169 /nfs/dbraw/zinc/87/51/69/594875169.db2.gz XLPQFAYTWBJVAR-UHFFFAOYSA-N 1 2 333.417 1.574 20 30 EDEDLO C[C@@H](O[NH+]=C(N)COC[C@@H]1CCCO1)C(=O)Nc1cccc(C#N)c1 ZINC000842657072 595160907 /nfs/dbraw/zinc/16/09/07/595160907.db2.gz VYIUBJILRJSFPU-DOMZBBRYSA-N 1 2 346.387 1.579 20 30 EDEDLO C#CC[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C(=O)OC ZINC000837940113 595232891 /nfs/dbraw/zinc/23/28/91/595232891.db2.gz ZPLTZVPFAGUBJF-JKSUJKDBSA-N 1 2 346.452 1.458 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000844528000 595355443 /nfs/dbraw/zinc/35/54/43/595355443.db2.gz SSBIGICTUPAOQC-YVEFUNNKSA-N 1 2 338.452 1.592 20 30 EDEDLO CON(C)CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000849174279 595491014 /nfs/dbraw/zinc/49/10/14/595491014.db2.gz PMCQORZVMKPBGF-UHFFFAOYSA-N 1 2 329.404 1.139 20 30 EDEDLO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ncnn21 ZINC000849323520 595505927 /nfs/dbraw/zinc/50/59/27/595505927.db2.gz YTBLBSKJJUVLDD-KCXAZCMYSA-N 1 2 336.399 1.941 20 30 EDEDLO Cc1c[nH+]c2c(c1)N(C(=O)CCNC(=O)C1N=CC=CC1=O)CCN2 ZINC000857998216 595683319 /nfs/dbraw/zinc/68/33/19/595683319.db2.gz OTWSEWIRJHLKEP-BMRADRMJSA-N 1 2 341.371 1.065 20 30 EDEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015165 595686032 /nfs/dbraw/zinc/68/60/32/595686032.db2.gz SIACBJNMAUFOPI-INIZCTEOSA-N 1 2 328.416 1.832 20 30 EDEDLO N#CCCNC(=O)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015165 595686034 /nfs/dbraw/zinc/68/60/34/595686034.db2.gz SIACBJNMAUFOPI-INIZCTEOSA-N 1 2 328.416 1.832 20 30 EDEDLO Cn1c(C=NNC(=S)NCC[NH+]2CCOCC2)cc2ccccc21 ZINC000853263323 595722254 /nfs/dbraw/zinc/72/22/54/595722254.db2.gz HAYYXUBYFFIXOY-UHFFFAOYSA-N 1 2 345.472 1.309 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000855492776 595727750 /nfs/dbraw/zinc/72/77/50/595727750.db2.gz REHVBLKKLODXOD-UHFFFAOYSA-N 1 2 327.384 1.680 20 30 EDEDLO C=CCCn1cc(C[NH2+]CCS(=O)(=O)Cc2ccccc2)nn1 ZINC000850076963 595733867 /nfs/dbraw/zinc/73/38/67/595733867.db2.gz HADYGBCONKKAFA-UHFFFAOYSA-N 1 2 334.445 1.559 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000858265904 595746839 /nfs/dbraw/zinc/74/68/39/595746839.db2.gz WFWDJQSBKOCNSP-HNNXBMFYSA-N 1 2 328.416 1.913 20 30 EDEDLO C#CC[C@H](COC)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000858285164 595753425 /nfs/dbraw/zinc/75/34/25/595753425.db2.gz HTILFBSCTWHBFY-DOMZBBRYSA-N 1 2 339.386 1.905 20 30 EDEDLO C=CC[N@H+](CN1Cc2ccc(C(=O)OC)cc2C1=O)[C@H](C)COC ZINC000853533711 595788908 /nfs/dbraw/zinc/78/89/08/595788908.db2.gz AZGDBYHMMAFWCK-CYBMUJFWSA-N 1 2 332.400 1.909 20 30 EDEDLO C=CC[N@@H+](CN1Cc2ccc(C(=O)OC)cc2C1=O)[C@H](C)COC ZINC000853533711 595788912 /nfs/dbraw/zinc/78/89/12/595788912.db2.gz AZGDBYHMMAFWCK-CYBMUJFWSA-N 1 2 332.400 1.909 20 30 EDEDLO C=CCN(C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@H](C)COC ZINC000853589178 595817526 /nfs/dbraw/zinc/81/75/26/595817526.db2.gz JNZDUICNVSWTAZ-CQSZACIVSA-N 1 2 329.404 2.000 20 30 EDEDLO N#CCC1(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000853658066 595848236 /nfs/dbraw/zinc/84/82/36/595848236.db2.gz KLAIDHWUBIARHA-UHFFFAOYSA-N 1 2 328.416 1.850 20 30 EDEDLO C#CCOCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 ZINC000851779014 595920243 /nfs/dbraw/zinc/92/02/43/595920243.db2.gz OGHAMWDFNFVHGH-SFHVURJKSA-N 1 2 344.455 1.865 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)c2ccco2)CC1 ZINC000859224694 596010121 /nfs/dbraw/zinc/01/01/21/596010121.db2.gz HEDDJXUUUUJOGI-OAHLLOKOSA-N 1 2 331.416 1.057 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)c2ccco2)CC1 ZINC000859224694 596010125 /nfs/dbraw/zinc/01/01/25/596010125.db2.gz HEDDJXUUUUJOGI-OAHLLOKOSA-N 1 2 331.416 1.057 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852109475 596046709 /nfs/dbraw/zinc/04/67/09/596046709.db2.gz AMRTVEARRKXTSV-QGZVFWFLSA-N 1 2 343.427 1.315 20 30 EDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859348926 596058765 /nfs/dbraw/zinc/05/87/65/596058765.db2.gz KFRVWKPDWPRCPT-HNNXBMFYSA-N 1 2 336.432 1.335 20 30 EDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859348926 596058770 /nfs/dbraw/zinc/05/87/70/596058770.db2.gz KFRVWKPDWPRCPT-HNNXBMFYSA-N 1 2 336.432 1.335 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332665 596128517 /nfs/dbraw/zinc/12/85/17/596128517.db2.gz UUANOXKUVXFSDX-GOSISDBHSA-N 1 2 325.416 1.701 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332665 596128520 /nfs/dbraw/zinc/12/85/20/596128520.db2.gz UUANOXKUVXFSDX-GOSISDBHSA-N 1 2 325.416 1.701 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C(\C)c2cccs2)CC1 ZINC000857117787 596161919 /nfs/dbraw/zinc/16/19/19/596161919.db2.gz TXXQHYHGIZKKDV-FYWRMAATSA-N 1 2 345.468 1.435 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C(\C)c2cccs2)CC1 ZINC000857117787 596161921 /nfs/dbraw/zinc/16/19/21/596161921.db2.gz TXXQHYHGIZKKDV-FYWRMAATSA-N 1 2 345.468 1.435 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852736463 596236115 /nfs/dbraw/zinc/23/61/15/596236115.db2.gz YCQZXOSYHYMCBY-YNEHKIRRSA-N 1 2 327.400 1.061 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852736463 596236116 /nfs/dbraw/zinc/23/61/16/596236116.db2.gz YCQZXOSYHYMCBY-YNEHKIRRSA-N 1 2 327.400 1.061 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000869100886 596408724 /nfs/dbraw/zinc/40/87/24/596408724.db2.gz LKLHAMVKVAMUFL-MSOLQXFVSA-N 1 2 347.459 1.432 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000869100886 596408725 /nfs/dbraw/zinc/40/87/25/596408725.db2.gz LKLHAMVKVAMUFL-MSOLQXFVSA-N 1 2 347.459 1.432 20 30 EDEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000865042944 596453747 /nfs/dbraw/zinc/45/37/47/596453747.db2.gz RLQNSPMQTQJWRA-QPJJXVBHSA-N 1 2 345.399 1.998 20 30 EDEDLO N#Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)co1 ZINC000869485055 596538437 /nfs/dbraw/zinc/53/84/37/596538437.db2.gz IEFYSWUSIKLEJQ-INIZCTEOSA-N 1 2 326.356 1.177 20 30 EDEDLO N#Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)co1 ZINC000869485055 596538440 /nfs/dbraw/zinc/53/84/40/596538440.db2.gz IEFYSWUSIKLEJQ-INIZCTEOSA-N 1 2 326.356 1.177 20 30 EDEDLO COC(=O)[C@H]1C[N@H+](Cn2ccc(C)c(C#N)c2=O)Cc2ccccc21 ZINC000863334055 596554103 /nfs/dbraw/zinc/55/41/03/596554103.db2.gz URVLAOSBERRQMD-KRWDZBQOSA-N 1 2 337.379 1.758 20 30 EDEDLO COC(=O)[C@H]1C[N@@H+](Cn2ccc(C)c(C#N)c2=O)Cc2ccccc21 ZINC000863334055 596554105 /nfs/dbraw/zinc/55/41/05/596554105.db2.gz URVLAOSBERRQMD-KRWDZBQOSA-N 1 2 337.379 1.758 20 30 EDEDLO COC1(C(N)=[NH+]OCC(=O)NCc2ccc(C#N)cc2)CCCC1 ZINC000863479348 596593303 /nfs/dbraw/zinc/59/33/03/596593303.db2.gz JRVRBAXYHWEMOH-UHFFFAOYSA-N 1 2 330.388 1.632 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865594894 596621312 /nfs/dbraw/zinc/62/13/12/596621312.db2.gz VGNLVZHDGQUYMY-UHFFFAOYSA-N 1 2 341.337 1.358 20 30 EDEDLO N#Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)co1 ZINC000865716601 596658556 /nfs/dbraw/zinc/65/85/56/596658556.db2.gz AWMFSUHNPBSYKO-KRWDZBQOSA-N 1 2 339.395 1.825 20 30 EDEDLO N#C[C@@]1(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)CC12CCCC2 ZINC000870059921 596729427 /nfs/dbraw/zinc/72/94/27/596729427.db2.gz OJUKNKCSYPWOEL-MAUKXSAKSA-N 1 2 333.432 1.020 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)NC1CCN(c2ccccc2C#N)CC1 ZINC000868281780 596762519 /nfs/dbraw/zinc/76/25/19/596762519.db2.gz PBBNRZPKZVUVDD-UHFFFAOYSA-N 1 2 338.415 1.760 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000868538384 596877448 /nfs/dbraw/zinc/87/74/48/596877448.db2.gz UKPDTWVSFIXXHX-ZWKOTPCHSA-N 1 2 329.444 1.907 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000868538384 596877451 /nfs/dbraw/zinc/87/74/51/596877451.db2.gz UKPDTWVSFIXXHX-ZWKOTPCHSA-N 1 2 329.444 1.907 20 30 EDEDLO C(=NN=c1[nH]c2cc[nH+]cc2s1)c1cn(C[C@@H]2CCCO2)nn1 ZINC000872411418 596900107 /nfs/dbraw/zinc/90/01/07/596900107.db2.gz GSZROKBHNOCHMF-NSHDSACASA-N 1 2 329.389 1.908 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000872437010 596906913 /nfs/dbraw/zinc/90/69/13/596906913.db2.gz YAGQXDJWAKGIKL-UHFFFAOYSA-N 1 2 330.413 1.806 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000872643540 597006484 /nfs/dbraw/zinc/00/64/84/597006484.db2.gz JXLFQPVDYIFYMQ-MRXNPFEDSA-N 1 2 337.445 1.088 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000872643540 597006489 /nfs/dbraw/zinc/00/64/89/597006489.db2.gz JXLFQPVDYIFYMQ-MRXNPFEDSA-N 1 2 337.445 1.088 20 30 EDEDLO Cc1ccccc1[C@H]1CC(=O)N(C[NH+]2CCN(CCC#N)CC2)C1 ZINC000872734704 597051740 /nfs/dbraw/zinc/05/17/40/597051740.db2.gz SHRLVRXUABVYJY-KRWDZBQOSA-N 1 2 326.444 1.800 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000874698580 597141562 /nfs/dbraw/zinc/14/15/62/597141562.db2.gz HZWBIIOVHCCMDK-GDBMZVCRSA-N 1 2 331.416 1.553 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000874698580 597141564 /nfs/dbraw/zinc/14/15/64/597141564.db2.gz HZWBIIOVHCCMDK-GDBMZVCRSA-N 1 2 331.416 1.553 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCC[N@H+]1C[C@H]3CC[C@@H](C1)O3)C2 ZINC000876282670 597161050 /nfs/dbraw/zinc/16/10/50/597161050.db2.gz WPOCRQPAROEAPK-OKZBNKHCSA-N 1 2 340.427 1.188 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)C2 ZINC000876282670 597161051 /nfs/dbraw/zinc/16/10/51/597161051.db2.gz WPOCRQPAROEAPK-OKZBNKHCSA-N 1 2 340.427 1.188 20 30 EDEDLO CC(C)NC(=O)CN1CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876546658 597235080 /nfs/dbraw/zinc/23/50/80/597235080.db2.gz PEEJLPVLQLMPQL-UHFFFAOYSA-N 1 2 343.475 1.266 20 30 EDEDLO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876637470 597270742 /nfs/dbraw/zinc/27/07/42/597270742.db2.gz WVZLNRAEMYYIOI-HNNXBMFYSA-N 1 2 341.839 1.841 20 30 EDEDLO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876637470 597270744 /nfs/dbraw/zinc/27/07/44/597270744.db2.gz WVZLNRAEMYYIOI-HNNXBMFYSA-N 1 2 341.839 1.841 20 30 EDEDLO C#CCOc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000126319465 597420414 /nfs/dbraw/zinc/42/04/14/597420414.db2.gz FNIUQUOBWWGHFV-INIZCTEOSA-N 1 2 341.455 1.483 20 30 EDEDLO C#CCOc1ccccc1CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000126319465 597420417 /nfs/dbraw/zinc/42/04/17/597420417.db2.gz FNIUQUOBWWGHFV-INIZCTEOSA-N 1 2 341.455 1.483 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)cc2[nH]c1=S ZINC000877174301 597452167 /nfs/dbraw/zinc/45/21/67/597452167.db2.gz RPKDSAGZMKAFAQ-JQWIXIFHSA-N 1 2 344.440 1.433 20 30 EDEDLO C#C[C@@H](NC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1)[C@H]1CCCO1 ZINC000875505981 597456489 /nfs/dbraw/zinc/45/64/89/597456489.db2.gz ARDLDTYEZRNFCI-GVDBMIGSSA-N 1 2 340.427 1.756 20 30 EDEDLO N#Cc1cccc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)n1 ZINC000877496669 597525102 /nfs/dbraw/zinc/52/51/02/597525102.db2.gz WKEOTHBPPXFVJE-UHFFFAOYSA-N 1 2 326.322 1.844 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000877545373 597533351 /nfs/dbraw/zinc/53/33/51/597533351.db2.gz GYSRWJQFHAWPBY-UHFFFAOYSA-N 1 2 335.473 1.881 20 30 EDEDLO COCCn1cc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)cn1 ZINC000877747123 597552803 /nfs/dbraw/zinc/55/28/03/597552803.db2.gz VXCPAQKLGFZCLC-UHFFFAOYSA-N 1 2 343.406 1.862 20 30 EDEDLO COc1cc(C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)ccc1C#N ZINC000877815684 597559981 /nfs/dbraw/zinc/55/99/81/597559981.db2.gz NSQKINCMMNLPEN-CALCHBBNSA-N 1 2 334.441 1.823 20 30 EDEDLO COc1cc(C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)ccc1C#N ZINC000877815684 597559982 /nfs/dbraw/zinc/55/99/82/597559982.db2.gz NSQKINCMMNLPEN-CALCHBBNSA-N 1 2 334.441 1.823 20 30 EDEDLO C=CC[C@H](C(=O)OC)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000877941953 597565204 /nfs/dbraw/zinc/56/52/04/597565204.db2.gz QHYQFQCHTRALJC-QGZVFWFLSA-N 1 2 348.443 1.939 20 30 EDEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000878515201 597619972 /nfs/dbraw/zinc/61/99/72/597619972.db2.gz MEKZZWWTDGOMTR-CYBMUJFWSA-N 1 2 342.436 1.456 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1)C1CC1 ZINC000879688930 597686617 /nfs/dbraw/zinc/68/66/17/597686617.db2.gz GJFZLDDFJCSJLI-QFBILLFUSA-N 1 2 339.443 1.674 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1)C1CC1 ZINC000879688930 597686619 /nfs/dbraw/zinc/68/66/19/597686619.db2.gz GJFZLDDFJCSJLI-QFBILLFUSA-N 1 2 339.443 1.674 20 30 EDEDLO COC[C@@]1(C(=O)OC)CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000879028697 597791085 /nfs/dbraw/zinc/79/10/85/597791085.db2.gz LCAGXLKHPWFAEX-FUHWJXTLSA-N 1 2 332.400 1.636 20 30 EDEDLO COC[C@@]1(C(=O)OC)CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000879028697 597791088 /nfs/dbraw/zinc/79/10/88/597791088.db2.gz LCAGXLKHPWFAEX-FUHWJXTLSA-N 1 2 332.400 1.636 20 30 EDEDLO N#Cc1ccc([C@H](O)CN2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000879420765 597912609 /nfs/dbraw/zinc/91/26/09/597912609.db2.gz QMVGWFPLXZACET-LJQANCHMSA-N 1 2 337.427 1.242 20 30 EDEDLO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000880561633 597964048 /nfs/dbraw/zinc/96/40/48/597964048.db2.gz HWBQZFCDUBEJLZ-OAHLLOKOSA-N 1 2 326.299 1.269 20 30 EDEDLO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000880561633 597964050 /nfs/dbraw/zinc/96/40/50/597964050.db2.gz HWBQZFCDUBEJLZ-OAHLLOKOSA-N 1 2 326.299 1.269 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1OC(F)F ZINC000884064384 597984195 /nfs/dbraw/zinc/98/41/95/597984195.db2.gz FYVUTMMNACZXHM-NSHDSACASA-N 1 2 328.315 1.351 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ccc(CC)cc2)CC1 ZINC000884227513 598036485 /nfs/dbraw/zinc/03/64/85/598036485.db2.gz RHDFEWRCTLRQQH-KRWDZBQOSA-N 1 2 345.443 1.344 20 30 EDEDLO COC1CC[NH+](Cc2cn(Cc3ccc(OCC#N)cc3)nn2)CC1 ZINC000881286259 598117307 /nfs/dbraw/zinc/11/73/07/598117307.db2.gz VVZAPCKKQDVVME-UHFFFAOYSA-N 1 2 341.415 1.840 20 30 EDEDLO Cc1ncc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000882962321 598118661 /nfs/dbraw/zinc/11/86/61/598118661.db2.gz PKIOMDLODPHVCT-UHFFFAOYSA-N 1 2 330.388 1.652 20 30 EDEDLO C[N@H+](CCO)Cc1cn(Cc2cc(Cl)ccc2OCC#N)nn1 ZINC000881303218 598121649 /nfs/dbraw/zinc/12/16/49/598121649.db2.gz WBFUUDGOHLWLRI-UHFFFAOYSA-N 1 2 335.795 1.306 20 30 EDEDLO C[N@@H+](CCO)Cc1cn(Cc2cc(Cl)ccc2OCC#N)nn1 ZINC000881303218 598121652 /nfs/dbraw/zinc/12/16/52/598121652.db2.gz WBFUUDGOHLWLRI-UHFFFAOYSA-N 1 2 335.795 1.306 20 30 EDEDLO C=C1CC(C)(C(=O)NCC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001060462395 695230473 /nfs/dbraw/zinc/23/04/73/695230473.db2.gz BKAOOYPSIHOKKB-CQSZACIVSA-N 1 2 330.432 1.663 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](NC(=O)CC)[C@H]2C)c1 ZINC000992908398 695444789 /nfs/dbraw/zinc/44/47/89/695444789.db2.gz DDKKQRKACMMJQJ-RHSMWYFYSA-N 1 2 327.428 1.986 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)CC)[C@H]2C)c1 ZINC000992908398 695444790 /nfs/dbraw/zinc/44/47/90/695444790.db2.gz DDKKQRKACMMJQJ-RHSMWYFYSA-N 1 2 327.428 1.986 20 30 EDEDLO C=CCn1cc(C(=O)NC2C[NH+](CCc3ccccc3CC)C2)nn1 ZINC001031069883 695460386 /nfs/dbraw/zinc/46/03/86/695460386.db2.gz DSWKVNXWUPGKJW-UHFFFAOYSA-N 1 2 339.443 1.683 20 30 EDEDLO Cc1nc(N[C@@H]2CC[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]23)cc[nH+]1 ZINC001060527258 695769924 /nfs/dbraw/zinc/76/99/24/695769924.db2.gz VSFPDUGXZJVZKR-BPLDGKMQSA-N 1 2 336.399 1.948 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993292232 695912358 /nfs/dbraw/zinc/91/23/58/695912358.db2.gz DBBXFEYFDYURHY-BBRMVZONSA-N 1 2 338.415 1.470 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993292232 695912360 /nfs/dbraw/zinc/91/23/60/695912360.db2.gz DBBXFEYFDYURHY-BBRMVZONSA-N 1 2 338.415 1.470 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993299516 695922040 /nfs/dbraw/zinc/92/20/40/695922040.db2.gz NPGPPJPXTHUFFB-RISCZKNCSA-N 1 2 344.444 1.531 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993299516 695922042 /nfs/dbraw/zinc/92/20/42/695922042.db2.gz NPGPPJPXTHUFFB-RISCZKNCSA-N 1 2 344.444 1.531 20 30 EDEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@H]1C ZINC000993330858 695984609 /nfs/dbraw/zinc/98/46/09/695984609.db2.gz FVCLBMYCURRQSX-OCCSQVGLSA-N 1 2 338.429 1.289 20 30 EDEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@H]1C ZINC000993330858 695984610 /nfs/dbraw/zinc/98/46/10/695984610.db2.gz FVCLBMYCURRQSX-OCCSQVGLSA-N 1 2 338.429 1.289 20 30 EDEDLO N#Cc1cccnc1N[C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]12 ZINC001060556637 695989682 /nfs/dbraw/zinc/98/96/82/695989682.db2.gz HDAUWKPQBOUUIE-FVQBIDKESA-N 1 2 336.399 1.568 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3cnc(C)nc3)[C@@H]2C)c1 ZINC000993772800 696367953 /nfs/dbraw/zinc/36/79/53/696367953.db2.gz NVYOOBYLQJMKMR-KUHUBIRLSA-N 1 2 349.438 1.944 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnc(C)nc3)[C@@H]2C)c1 ZINC000993772800 696367955 /nfs/dbraw/zinc/36/79/55/696367955.db2.gz NVYOOBYLQJMKMR-KUHUBIRLSA-N 1 2 349.438 1.944 20 30 EDEDLO Cc1cc(C=NN2CC[NH+](C)CC2)c(C)n1CCN1CCOCC1 ZINC000915934211 696605191 /nfs/dbraw/zinc/60/51/91/696605191.db2.gz WDTYMHYOMAWNQM-UHFFFAOYSA-N 1 2 333.480 1.018 20 30 EDEDLO N#Cc1ccc(NCCNC(=O)NCCCCn2cc[nH+]c2)nc1 ZINC000918141696 697136568 /nfs/dbraw/zinc/13/65/68/697136568.db2.gz ZCZNMRXTWXMHNT-UHFFFAOYSA-N 1 2 327.392 1.341 20 30 EDEDLO C#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060719441 697182231 /nfs/dbraw/zinc/18/22/31/697182231.db2.gz FJGQYCCQZWRHEZ-SHTZXODSSA-N 1 2 330.432 1.547 20 30 EDEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060728500 697246078 /nfs/dbraw/zinc/24/60/78/697246078.db2.gz LUVYMRMFHBBGCL-SHTZXODSSA-N 1 2 330.432 1.403 20 30 EDEDLO Cc1ocnc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031568215 697259352 /nfs/dbraw/zinc/25/93/52/697259352.db2.gz TYWOEPFXMINMQT-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO N#Cc1c[nH]c(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001031603031 697302613 /nfs/dbraw/zinc/30/26/13/697302613.db2.gz DJZCVPRVGGNHLL-UHFFFAOYSA-N 1 2 337.358 1.759 20 30 EDEDLO N#Cc1c[nH]c(C(=O)NCC2C[NH+](Cc3nc4ccccc4o3)C2)c1 ZINC001031603036 697302730 /nfs/dbraw/zinc/30/27/30/697302730.db2.gz DODSFNOVIPWDAZ-UHFFFAOYSA-N 1 2 335.367 1.889 20 30 EDEDLO N#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccncc3Cl)C2)[nH]1 ZINC001031619360 697336666 /nfs/dbraw/zinc/33/66/66/697336666.db2.gz VEIPFMBHBRJVLA-UHFFFAOYSA-N 1 2 329.791 1.797 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000994622918 697337725 /nfs/dbraw/zinc/33/77/25/697337725.db2.gz FFNSWVVTXDWNIY-ZDUSSCGKSA-N 1 2 344.459 1.752 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000994622918 697337727 /nfs/dbraw/zinc/33/77/27/697337727.db2.gz FFNSWVVTXDWNIY-ZDUSSCGKSA-N 1 2 344.459 1.752 20 30 EDEDLO C#CC[C@H](CO)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000920835285 697484136 /nfs/dbraw/zinc/48/41/36/697484136.db2.gz FHHBKGFOCMDNGY-HZPDHXFCSA-N 1 2 326.400 1.387 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)CC1 ZINC000921436829 697612393 /nfs/dbraw/zinc/61/23/93/697612393.db2.gz FAPQRFGDCRNYHV-ZDUSSCGKSA-N 1 2 336.461 1.156 20 30 EDEDLO C[C@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001032074402 698118689 /nfs/dbraw/zinc/11/86/89/698118689.db2.gz QMFXRPDDUQIYOU-MLGOLLRUSA-N 1 2 331.391 1.670 20 30 EDEDLO C=CCn1cccc1C(=O)NCC1C[NH+](Cc2cnc(C)nc2)C1 ZINC001031732989 698192372 /nfs/dbraw/zinc/19/23/72/698192372.db2.gz HTCKWTRJCOFCPX-UHFFFAOYSA-N 1 2 325.416 1.634 20 30 EDEDLO CCCn1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)nn1 ZINC001032080875 698335744 /nfs/dbraw/zinc/33/57/44/698335744.db2.gz RIWRZSOFRSRANT-UHFFFAOYSA-N 1 2 344.444 1.483 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3c(C)cccc3Cl)CC2)C1 ZINC000941474902 701551127 /nfs/dbraw/zinc/55/11/27/701551127.db2.gz DIRMVBRDCXFIIW-UHFFFAOYSA-N 1 2 345.874 1.653 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)n(CC)c3C)CC2)C1 ZINC000941476052 701551710 /nfs/dbraw/zinc/55/17/10/701551710.db2.gz INXVTKQIAZNTEZ-UHFFFAOYSA-N 1 2 342.487 1.590 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)C1 ZINC000941480512 701553267 /nfs/dbraw/zinc/55/32/67/701553267.db2.gz NOMHDONVPQMNIS-UHFFFAOYSA-N 1 2 341.455 1.469 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)[nH]1 ZINC000941526782 701570842 /nfs/dbraw/zinc/57/08/42/701570842.db2.gz GRJYYOWTFGISFU-CYBMUJFWSA-N 1 2 348.366 1.179 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3(C(F)F)CCC3)CC2)C1 ZINC000941533344 701573360 /nfs/dbraw/zinc/57/33/60/701573360.db2.gz AUGPLXADADJZAL-UHFFFAOYSA-N 1 2 325.403 1.274 20 30 EDEDLO CO[C@@H]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031793822 699277142 /nfs/dbraw/zinc/27/71/42/699277142.db2.gz OUQCYLSCVQPDHI-QZTJIDSGSA-N 1 2 327.428 1.921 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)ccc3F)CC2)C1 ZINC000941581916 701589246 /nfs/dbraw/zinc/58/92/46/701589246.db2.gz AUSAUJHRGOQHCL-UHFFFAOYSA-N 1 2 329.419 1.599 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCO[C@@H](C(C)C)C3)CC2)C1 ZINC000941632639 701600873 /nfs/dbraw/zinc/60/08/73/701600873.db2.gz MKMKLMPQICOAAG-PKOBYXMFSA-N 1 2 347.503 1.289 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000939481588 699629327 /nfs/dbraw/zinc/62/93/27/699629327.db2.gz BYLAUFJENLSSGF-RDTXWAMCSA-N 1 2 332.448 1.922 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]3C3CCCC3)CC2)C1 ZINC000941622672 701604670 /nfs/dbraw/zinc/60/46/70/701604670.db2.gz LTOHAUGNTLNYEZ-OALUTQOASA-N 1 2 329.488 1.664 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3csnn3)C2)nc1 ZINC000939553797 699703875 /nfs/dbraw/zinc/70/38/75/699703875.db2.gz CHDMMURMXYTXPU-XHDPSFHLSA-N 1 2 327.413 1.165 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3ccccc3Cl)CC2)C1 ZINC000941660305 701607927 /nfs/dbraw/zinc/60/79/27/701607927.db2.gz IKQYZKVZQBQINR-UHFFFAOYSA-N 1 2 345.874 1.734 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC4(CCC4)CO3)CC2)C1 ZINC000941642580 701609051 /nfs/dbraw/zinc/60/90/51/701609051.db2.gz NSRWJEGHPROSFX-GOSISDBHSA-N 1 2 345.487 1.187 20 30 EDEDLO C=C1CCC(C(=O)N2CCCN(C(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC000941669712 701612715 /nfs/dbraw/zinc/61/27/15/701612715.db2.gz GLRCYKYRKUAYJI-UHFFFAOYSA-N 1 2 344.459 1.770 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3ccccc3)CC2)C1 ZINC000941675290 701614949 /nfs/dbraw/zinc/61/49/49/701614949.db2.gz XZZRMGAVEQOGDL-SFHVURJKSA-N 1 2 339.483 1.717 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1 ZINC000944239434 701622466 /nfs/dbraw/zinc/62/24/66/701622466.db2.gz AOGUHDJWCXJEAQ-RKVPGOIHSA-N 1 2 348.447 1.205 20 30 EDEDLO Cc1nccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)n1 ZINC001032194863 701648511 /nfs/dbraw/zinc/64/85/11/701648511.db2.gz YSPFWGBLKVEGGV-UHFFFAOYSA-N 1 2 327.413 1.580 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C(C)(C)C1 ZINC000940857917 700956757 /nfs/dbraw/zinc/95/67/57/700956757.db2.gz GQMNTRKWTXXTNW-LLVKDONJSA-N 1 2 342.241 1.544 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C(C)(C)C1 ZINC000940857917 700956758 /nfs/dbraw/zinc/95/67/58/700956758.db2.gz GQMNTRKWTXXTNW-LLVKDONJSA-N 1 2 342.241 1.544 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000945936906 701319035 /nfs/dbraw/zinc/31/90/35/701319035.db2.gz REVNWTMJQXNGFB-CVEARBPZSA-N 1 2 340.427 1.205 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000946038390 701366157 /nfs/dbraw/zinc/36/61/57/701366157.db2.gz QHGAPLWIXATGBI-HZPDHXFCSA-N 1 2 342.443 1.689 20 30 EDEDLO Cc1ccncc1C[NH+]1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000941404332 701518756 /nfs/dbraw/zinc/51/87/56/701518756.db2.gz ZXIWOBTYMZDKOG-UHFFFAOYSA-N 1 2 338.455 1.132 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[C@H](OC)C3)CC2)C1 ZINC000941427540 701526142 /nfs/dbraw/zinc/52/61/42/701526142.db2.gz FAYFWFSLTRAZGE-MJGOQNOKSA-N 1 2 347.503 1.433 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3csc(C)c3C)CC2)C1 ZINC000941419956 701532600 /nfs/dbraw/zinc/53/26/00/701532600.db2.gz MSRUAZLHDHMEHR-UHFFFAOYSA-N 1 2 331.485 1.830 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC=CCCC3)CC2)C1 ZINC000941451959 701547480 /nfs/dbraw/zinc/54/74/80/701547480.db2.gz OXOVFPNKZTUVPG-GOSISDBHSA-N 1 2 329.488 1.975 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](C)C1 ZINC000941851168 701958714 /nfs/dbraw/zinc/95/87/14/701958714.db2.gz RNRDPWVSPRLAEF-CABZTGNLSA-N 1 2 327.226 1.759 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](C)C1 ZINC000941851168 701958719 /nfs/dbraw/zinc/95/87/19/701958719.db2.gz RNRDPWVSPRLAEF-CABZTGNLSA-N 1 2 327.226 1.759 20 30 EDEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)C[C@H]1C ZINC000944445596 702034070 /nfs/dbraw/zinc/03/40/70/702034070.db2.gz PYOOTXBODPXFQP-RDTXWAMCSA-N 1 2 338.411 1.620 20 30 EDEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](Cc2cnon2)C[C@H]1C ZINC000944445596 702034075 /nfs/dbraw/zinc/03/40/75/702034075.db2.gz PYOOTXBODPXFQP-RDTXWAMCSA-N 1 2 338.411 1.620 20 30 EDEDLO CCc1noc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)n1 ZINC000941963882 702252014 /nfs/dbraw/zinc/25/20/14/702252014.db2.gz NCGKTWZNJSLKLB-RISCZKNCSA-N 1 2 342.403 1.472 20 30 EDEDLO CCc1noc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)n1 ZINC000941963882 702252019 /nfs/dbraw/zinc/25/20/19/702252019.db2.gz NCGKTWZNJSLKLB-RISCZKNCSA-N 1 2 342.403 1.472 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C[C@@H]2C)cn1 ZINC000944213164 702541718 /nfs/dbraw/zinc/54/17/18/702541718.db2.gz BRLNYXFHVIMPFH-BLLLJJGKSA-N 1 2 338.415 1.130 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)[nH]3)C[C@@H]2C)cn1 ZINC000944213164 702541722 /nfs/dbraw/zinc/54/17/22/702541722.db2.gz BRLNYXFHVIMPFH-BLLLJJGKSA-N 1 2 338.415 1.130 20 30 EDEDLO CCn1nc(C)cc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031999705 702688847 /nfs/dbraw/zinc/68/88/47/702688847.db2.gz FJWWJBPGJASRKR-UHFFFAOYSA-N 1 2 336.439 1.925 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(CC)o2)C(C)(C)C1 ZINC000996332384 702716517 /nfs/dbraw/zinc/71/65/17/702716517.db2.gz ZSSPDMSZSXTGOW-HZSPNIEDSA-N 1 2 348.447 1.550 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000942363054 702864483 /nfs/dbraw/zinc/86/44/83/702864483.db2.gz DFARDPAXOPBKBT-LSDHHAIUSA-N 1 2 342.443 1.519 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3C)C[C@@H]2C)CC1 ZINC000942599675 703115006 /nfs/dbraw/zinc/11/50/06/703115006.db2.gz CKGJXOCRNDCKNO-GOEBONIOSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3C)C[C@@H]2C)CC1 ZINC000942599675 703115007 /nfs/dbraw/zinc/11/50/07/703115007.db2.gz CKGJXOCRNDCKNO-GOEBONIOSA-N 1 2 331.464 1.888 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)c1 ZINC001032338525 703155267 /nfs/dbraw/zinc/15/52/67/703155267.db2.gz WVZSMAJJPOLTEN-IRXDYDNUSA-N 1 2 331.379 1.857 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)c1 ZINC001032338525 703155268 /nfs/dbraw/zinc/15/52/68/703155268.db2.gz WVZSMAJJPOLTEN-IRXDYDNUSA-N 1 2 331.379 1.857 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)O)cc1C#N ZINC001032379943 703348632 /nfs/dbraw/zinc/34/86/32/703348632.db2.gz NMFBMKSFLWGTPV-HOTGVXAUSA-N 1 2 343.427 1.513 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)O)cc1C#N ZINC001032379943 703348634 /nfs/dbraw/zinc/34/86/34/703348634.db2.gz NMFBMKSFLWGTPV-HOTGVXAUSA-N 1 2 343.427 1.513 20 30 EDEDLO C=CCO[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795075 703378369 /nfs/dbraw/zinc/37/83/69/703378369.db2.gz FOMWCOQBGJRMCY-RBSFLKMASA-N 1 2 348.447 1.335 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795134 703378618 /nfs/dbraw/zinc/37/86/18/703378618.db2.gz GILIWLJKGYYADP-HDJSIYSDSA-N 1 2 332.448 1.956 20 30 EDEDLO CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000942854215 703387642 /nfs/dbraw/zinc/38/76/42/703387642.db2.gz OUOOIPMTVIOEIT-GXTWGEPZSA-N 1 2 339.399 1.786 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCOC2)cc1C#N ZINC001038096118 703469771 /nfs/dbraw/zinc/46/97/71/703469771.db2.gz LVEDSACJYJSKNP-GDBMZVCRSA-N 1 2 329.400 1.294 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCOC2)cc1C#N ZINC001038096118 703469774 /nfs/dbraw/zinc/46/97/74/703469774.db2.gz LVEDSACJYJSKNP-GDBMZVCRSA-N 1 2 329.400 1.294 20 30 EDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001032454973 703632092 /nfs/dbraw/zinc/63/20/92/703632092.db2.gz SVIVWLKATHVDEW-NXOAAHMSSA-N 1 2 329.444 1.086 20 30 EDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001032454973 703632093 /nfs/dbraw/zinc/63/20/93/703632093.db2.gz SVIVWLKATHVDEW-NXOAAHMSSA-N 1 2 329.444 1.086 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1-n1ccnn1 ZINC001032466378 703648817 /nfs/dbraw/zinc/64/88/17/703648817.db2.gz VCRUMTXHYODBBL-STQMWFEESA-N 1 2 327.413 1.251 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1-n1ccnn1 ZINC001032466378 703648818 /nfs/dbraw/zinc/64/88/18/703648818.db2.gz VCRUMTXHYODBBL-STQMWFEESA-N 1 2 327.413 1.251 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnc[nH]c2=O)c1 ZINC001032466884 703649284 /nfs/dbraw/zinc/64/92/84/703649284.db2.gz GTKPWFKYBBBICT-GJZGRUSLSA-N 1 2 335.367 1.153 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnc[nH]c2=O)c1 ZINC001032466884 703649285 /nfs/dbraw/zinc/64/92/85/703649285.db2.gz GTKPWFKYBBBICT-GJZGRUSLSA-N 1 2 335.367 1.153 20 30 EDEDLO Cc1nnccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032499838 703813815 /nfs/dbraw/zinc/81/38/15/703813815.db2.gz GZIAFNMBMUAFKL-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO Cc1nnccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032499838 703813818 /nfs/dbraw/zinc/81/38/18/703813818.db2.gz GZIAFNMBMUAFKL-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)CC2)o1 ZINC000997553128 703825757 /nfs/dbraw/zinc/82/57/57/703825757.db2.gz VLSNWJUDPVYQQL-NSHDSACASA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1c(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cnn1C ZINC001004445104 704427673 /nfs/dbraw/zinc/42/76/73/704427673.db2.gz DPCMFQGUMNPTIP-QGZVFWFLSA-N 1 2 329.448 1.498 20 30 EDEDLO Cc1c(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cnn1C ZINC001004445104 704427675 /nfs/dbraw/zinc/42/76/75/704427675.db2.gz DPCMFQGUMNPTIP-QGZVFWFLSA-N 1 2 329.448 1.498 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CCC(=O)NC2)CC1 ZINC001004457743 704451100 /nfs/dbraw/zinc/45/11/00/704451100.db2.gz LLUALXUITGCDHS-GOEBONIOSA-N 1 2 332.448 1.129 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CCC(=O)NC2)CC1 ZINC001004457743 704451101 /nfs/dbraw/zinc/45/11/01/704451101.db2.gz LLUALXUITGCDHS-GOEBONIOSA-N 1 2 332.448 1.129 20 30 EDEDLO Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)o1 ZINC000995633588 704607364 /nfs/dbraw/zinc/60/73/64/704607364.db2.gz JDFLVYKSRZCNAO-IINYFYTJSA-N 1 2 342.403 1.779 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000998194432 705507345 /nfs/dbraw/zinc/50/73/45/705507345.db2.gz GPKONJLGMQGBOU-HNNXBMFYSA-N 1 2 325.416 1.908 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2oc(C)nc2C)c1 ZINC001032616960 705640590 /nfs/dbraw/zinc/64/05/90/705640590.db2.gz DOMWVDMZOGPSOA-IRXDYDNUSA-N 1 2 336.395 1.767 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2oc(C)nc2C)c1 ZINC001032616960 705640592 /nfs/dbraw/zinc/64/05/92/705640592.db2.gz DOMWVDMZOGPSOA-IRXDYDNUSA-N 1 2 336.395 1.767 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2noc(-c3ccccc3)n2)C1 ZINC000998745730 706179659 /nfs/dbraw/zinc/17/96/59/706179659.db2.gz JIZGYMRMKVGXRW-DZGCQCFKSA-N 1 2 339.399 1.977 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC000998757692 706192939 /nfs/dbraw/zinc/19/29/39/706192939.db2.gz YLAHKPYWOYWEJM-HUUCEWRRSA-N 1 2 338.415 1.508 20 30 EDEDLO CCc1noc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998933515 706343257 /nfs/dbraw/zinc/34/32/57/706343257.db2.gz URFNANVGIDBADM-YPMHNXCESA-N 1 2 342.403 1.787 20 30 EDEDLO CCO[C@H](C)c1noc(C[NH2+][C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999117521 706543612 /nfs/dbraw/zinc/54/36/12/706543612.db2.gz OIYCHYAYVNOAQU-HIFRSBDPSA-N 1 2 346.431 1.661 20 30 EDEDLO O=C(C#CC1CC1)N1CCC[C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC000999132606 706568309 /nfs/dbraw/zinc/56/83/09/706568309.db2.gz GZMAFWCSBTUIEG-OAHLLOKOSA-N 1 2 340.383 1.824 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nocc2C)C1 ZINC000999390165 706903123 /nfs/dbraw/zinc/90/31/23/706903123.db2.gz DRHNKXBNKTUDEO-RDJZCZTQSA-N 1 2 330.432 1.161 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001033243906 707204636 /nfs/dbraw/zinc/20/46/36/707204636.db2.gz LOKFMQCSDVGJGW-GJZGRUSLSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001033243906 707204638 /nfs/dbraw/zinc/20/46/38/707204638.db2.gz LOKFMQCSDVGJGW-GJZGRUSLSA-N 1 2 327.856 1.530 20 30 EDEDLO CN(C(=O)c1cn(C)ccc1=O)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033257171 707259239 /nfs/dbraw/zinc/25/92/39/707259239.db2.gz NYEGDJQHXVPNAQ-GOSISDBHSA-N 1 2 349.434 1.583 20 30 EDEDLO CN(C(=O)c1cn(C)ccc1=O)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033257171 707259240 /nfs/dbraw/zinc/25/92/40/707259240.db2.gz NYEGDJQHXVPNAQ-GOSISDBHSA-N 1 2 349.434 1.583 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001033277778 707344231 /nfs/dbraw/zinc/34/42/31/707344231.db2.gz CEVDBICFRGZIJG-ZIAGYGMSSA-N 1 2 337.855 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nncn3CC2)C1 ZINC001033277778 707344236 /nfs/dbraw/zinc/34/42/36/707344236.db2.gz CEVDBICFRGZIJG-ZIAGYGMSSA-N 1 2 337.855 1.516 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2COCCN2CCCC)C1 ZINC001033297753 707434168 /nfs/dbraw/zinc/43/41/68/707434168.db2.gz SXKPUKOFLLQORK-JKSUJKDBSA-N 1 2 343.899 1.773 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCCN2CCCC)C1 ZINC001033297753 707434171 /nfs/dbraw/zinc/43/41/71/707434171.db2.gz SXKPUKOFLLQORK-JKSUJKDBSA-N 1 2 343.899 1.773 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033312723 707470045 /nfs/dbraw/zinc/47/00/45/707470045.db2.gz QCCSYJHHLOXILE-HNNXBMFYSA-N 1 2 344.415 1.875 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033312723 707470047 /nfs/dbraw/zinc/47/00/47/707470047.db2.gz QCCSYJHHLOXILE-HNNXBMFYSA-N 1 2 344.415 1.875 20 30 EDEDLO C[C@@H]([NH2+]Cc1nc(N(C)C)no1)[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001004855914 707474312 /nfs/dbraw/zinc/47/43/12/707474312.db2.gz SRHLBCGOHJULFQ-HIFRSBDPSA-N 1 2 345.447 1.408 20 30 EDEDLO C=CCCC(=O)N1CCOC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001061593760 707620417 /nfs/dbraw/zinc/62/04/17/707620417.db2.gz ZCFMZZPADGVJFB-LSDHHAIUSA-N 1 2 334.420 1.144 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C(=O)N(C)C ZINC001032737156 707755990 /nfs/dbraw/zinc/75/59/90/707755990.db2.gz HNVPFIBJRFIBGV-GJZGRUSLSA-N 1 2 325.412 1.310 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C(=O)N(C)C ZINC001032737156 707755993 /nfs/dbraw/zinc/75/59/93/707755993.db2.gz HNVPFIBJRFIBGV-GJZGRUSLSA-N 1 2 325.412 1.310 20 30 EDEDLO O=C(c1ccc(=O)[nH]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032763819 707895217 /nfs/dbraw/zinc/89/52/17/707895217.db2.gz TVEPHSDVURJVMP-ROUUACIJSA-N 1 2 333.391 1.738 20 30 EDEDLO O=C(c1ccc(=O)[nH]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032763819 707895220 /nfs/dbraw/zinc/89/52/20/707895220.db2.gz TVEPHSDVURJVMP-ROUUACIJSA-N 1 2 333.391 1.738 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@H+](CC=C(Cl)Cl)C2)nn1 ZINC001033484212 707951462 /nfs/dbraw/zinc/95/14/62/707951462.db2.gz OONNGOFNAAFKOP-NSHDSACASA-N 1 2 344.246 1.929 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](CC=C(Cl)Cl)C2)nn1 ZINC001033484212 707951466 /nfs/dbraw/zinc/95/14/66/707951466.db2.gz OONNGOFNAAFKOP-NSHDSACASA-N 1 2 344.246 1.929 20 30 EDEDLO CN(C(=O)c1cccnn1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033525932 708141304 /nfs/dbraw/zinc/14/13/04/708141304.db2.gz JLHIWBMESAYGBL-KRWDZBQOSA-N 1 2 338.386 1.814 20 30 EDEDLO CN(C(=O)c1cccnn1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033525932 708141308 /nfs/dbraw/zinc/14/13/08/708141308.db2.gz JLHIWBMESAYGBL-KRWDZBQOSA-N 1 2 338.386 1.814 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CNc2ncccc2C#N)C1 ZINC001061004721 708151339 /nfs/dbraw/zinc/15/13/39/708151339.db2.gz RMKAESJGBZYPBD-ZIAGYGMSSA-N 1 2 338.415 1.816 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CNc2ncccc2C#N)C1 ZINC001061004721 708151342 /nfs/dbraw/zinc/15/13/42/708151342.db2.gz RMKAESJGBZYPBD-ZIAGYGMSSA-N 1 2 338.415 1.816 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001033569300 708270558 /nfs/dbraw/zinc/27/05/58/708270558.db2.gz UAVVHUCTDQXPRJ-KGLIPLIRSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001033569300 708270559 /nfs/dbraw/zinc/27/05/59/708270559.db2.gz UAVVHUCTDQXPRJ-KGLIPLIRSA-N 1 2 327.856 1.530 20 30 EDEDLO N#Cc1cnc(N2CC[C@@H](CNC(=O)c3cccc4[nH+]ccn43)C2)cn1 ZINC001061680005 708421415 /nfs/dbraw/zinc/42/14/15/708421415.db2.gz GMNCQVNBFIZBKH-ZDUSSCGKSA-N 1 2 347.382 1.252 20 30 EDEDLO CC(C)C#CC(=O)N1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001061035903 708431165 /nfs/dbraw/zinc/43/11/65/708431165.db2.gz WEHMJXBAXJYFRS-UHFFFAOYSA-N 1 2 342.443 1.453 20 30 EDEDLO CC(C)C#CC(=O)N1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001061035903 708431168 /nfs/dbraw/zinc/43/11/68/708431168.db2.gz WEHMJXBAXJYFRS-UHFFFAOYSA-N 1 2 342.443 1.453 20 30 EDEDLO C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001033839899 708870519 /nfs/dbraw/zinc/87/05/19/708870519.db2.gz TWFWISLDGUWELE-AWEZNQCLSA-N 1 2 338.429 1.243 20 30 EDEDLO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001033839899 708870521 /nfs/dbraw/zinc/87/05/21/708870521.db2.gz TWFWISLDGUWELE-AWEZNQCLSA-N 1 2 338.429 1.243 20 30 EDEDLO Cc1cc(N[C@@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c(C#N)cn1 ZINC001061094645 709030685 /nfs/dbraw/zinc/03/06/85/709030685.db2.gz HAIBTJNNJJADIM-CVEARBPZSA-N 1 2 338.415 1.420 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001033906658 709036701 /nfs/dbraw/zinc/03/67/01/709036701.db2.gz GEVQXTUNVQFRST-KGLIPLIRSA-N 1 2 327.856 1.578 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001033906658 709036704 /nfs/dbraw/zinc/03/67/04/709036704.db2.gz GEVQXTUNVQFRST-KGLIPLIRSA-N 1 2 327.856 1.578 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001033954224 709135182 /nfs/dbraw/zinc/13/51/82/709135182.db2.gz MJBQEVCPCDOHOF-OAGGEKHMSA-N 1 2 332.448 1.434 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001033954224 709135184 /nfs/dbraw/zinc/13/51/84/709135184.db2.gz MJBQEVCPCDOHOF-OAGGEKHMSA-N 1 2 332.448 1.434 20 30 EDEDLO Cc1cc(C#N)nc(N[C@H]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001061137052 709348155 /nfs/dbraw/zinc/34/81/55/709348155.db2.gz RCXRDQBFGYNCMD-STQMWFEESA-N 1 2 339.403 1.462 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001002782943 709388662 /nfs/dbraw/zinc/38/86/62/709388662.db2.gz TXDMHULZOLIBNL-HNAYVOBHSA-N 1 2 344.459 1.622 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001002783672 709389696 /nfs/dbraw/zinc/38/96/96/709389696.db2.gz WLZYQGBBJRCYDE-KXBFYZLASA-N 1 2 344.459 1.622 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3cnns3)C2)[nH]1 ZINC001034164290 709437620 /nfs/dbraw/zinc/43/76/20/709437620.db2.gz DZPKXFJDMIZNMQ-GFCCVEGCSA-N 1 2 330.417 1.522 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cnns3)C2)[nH]1 ZINC001034164290 709437622 /nfs/dbraw/zinc/43/76/22/709437622.db2.gz DZPKXFJDMIZNMQ-GFCCVEGCSA-N 1 2 330.417 1.522 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001002847686 709457897 /nfs/dbraw/zinc/45/78/97/709457897.db2.gz XCMLVPOLEQWLMJ-SJORKVTESA-N 1 2 347.463 1.360 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)C[C@H]2CCNC2=O)CC1 ZINC001003007875 709777400 /nfs/dbraw/zinc/77/74/00/709777400.db2.gz OHHQRSZJOBUXPS-LLVKDONJSA-N 1 2 344.253 1.002 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001034324894 709810848 /nfs/dbraw/zinc/81/08/48/709810848.db2.gz WJYKUYFSSVSAOG-LBPRGKRZSA-N 1 2 325.796 1.715 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2coc(C(N)=O)c2)C1 ZINC001034324894 709810852 /nfs/dbraw/zinc/81/08/52/709810852.db2.gz WJYKUYFSSVSAOG-LBPRGKRZSA-N 1 2 325.796 1.715 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001034344698 709834505 /nfs/dbraw/zinc/83/45/05/709834505.db2.gz KCVVFASKSJEGHI-NSHDSACASA-N 1 2 342.241 1.606 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001034344698 709834508 /nfs/dbraw/zinc/83/45/08/709834508.db2.gz KCVVFASKSJEGHI-NSHDSACASA-N 1 2 342.241 1.606 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncc(C)o3)C2)nn1 ZINC001034433362 710004496 /nfs/dbraw/zinc/00/44/96/710004496.db2.gz VZXZJERDZWPUMI-CQSZACIVSA-N 1 2 344.419 1.545 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCCC[N@H+](Cc3ncc(C)o3)C2)nn1 ZINC001034433362 710004499 /nfs/dbraw/zinc/00/44/99/710004499.db2.gz VZXZJERDZWPUMI-CQSZACIVSA-N 1 2 344.419 1.545 20 30 EDEDLO Cn1cncc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001003254381 710179234 /nfs/dbraw/zinc/17/92/34/710179234.db2.gz BXVNKEDEDREMPW-UHFFFAOYSA-N 1 2 341.390 1.825 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001034526930 710179657 /nfs/dbraw/zinc/17/96/57/710179657.db2.gz BVFFEVDORKTKGU-LBPRGKRZSA-N 1 2 341.253 1.913 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001034526930 710179658 /nfs/dbraw/zinc/17/96/58/710179658.db2.gz BVFFEVDORKTKGU-LBPRGKRZSA-N 1 2 341.253 1.913 20 30 EDEDLO CN(c1ncc(C#N)cc1F)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001061270832 710379860 /nfs/dbraw/zinc/37/98/60/710379860.db2.gz ASWBYZRKFAAARG-CQSZACIVSA-N 1 2 342.378 1.485 20 30 EDEDLO C=CCn1cc(C[NH2+]Cc2ccccc2O[C@@H](C)C(=O)OC)nn1 ZINC000922198304 710409140 /nfs/dbraw/zinc/40/91/40/710409140.db2.gz QOUUVBRXCFFFRX-ZDUSSCGKSA-N 1 2 330.388 1.694 20 30 EDEDLO CN(c1ncccc1C#N)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001061281430 710423306 /nfs/dbraw/zinc/42/33/06/710423306.db2.gz YLCKNWTYNBZPCI-MRXNPFEDSA-N 1 2 338.415 1.736 20 30 EDEDLO CN(c1ncccc1C#N)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001061281430 710423309 /nfs/dbraw/zinc/42/33/09/710423309.db2.gz YLCKNWTYNBZPCI-MRXNPFEDSA-N 1 2 338.415 1.736 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CC[NH+](Cc3nccc(C)n3)CC2)c1 ZINC001003594401 710431839 /nfs/dbraw/zinc/43/18/39/710431839.db2.gz OIXLMBMILZAEOZ-UHFFFAOYSA-N 1 2 335.411 1.556 20 30 EDEDLO CN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032927068 710787155 /nfs/dbraw/zinc/78/71/55/710787155.db2.gz WPAMYUDPOKELIR-MRXNPFEDSA-N 1 2 326.375 1.747 20 30 EDEDLO CN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032927068 710787159 /nfs/dbraw/zinc/78/71/59/710787159.db2.gz WPAMYUDPOKELIR-MRXNPFEDSA-N 1 2 326.375 1.747 20 30 EDEDLO CN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032927068 710787164 /nfs/dbraw/zinc/78/71/64/710787164.db2.gz WPAMYUDPOKELIR-MRXNPFEDSA-N 1 2 326.375 1.747 20 30 EDEDLO CN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032927068 710787167 /nfs/dbraw/zinc/78/71/67/710787167.db2.gz WPAMYUDPOKELIR-MRXNPFEDSA-N 1 2 326.375 1.747 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001061797118 710953739 /nfs/dbraw/zinc/95/37/39/710953739.db2.gz KATJQHPSYAQAKR-DZGCQCFKSA-N 1 2 348.447 1.207 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccn(CC)n3)CC2)nc1 ZINC001004003082 711241513 /nfs/dbraw/zinc/24/15/13/711241513.db2.gz GTNFLAXIASZUEW-UHFFFAOYSA-N 1 2 337.427 1.674 20 30 EDEDLO COc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001033011905 711243869 /nfs/dbraw/zinc/24/38/69/711243869.db2.gz QJMCLLVVIPYZPK-CQSZACIVSA-N 1 2 340.387 1.031 20 30 EDEDLO COc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001033011905 711243874 /nfs/dbraw/zinc/24/38/74/711243874.db2.gz QJMCLLVVIPYZPK-CQSZACIVSA-N 1 2 340.387 1.031 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001004054892 711379151 /nfs/dbraw/zinc/37/91/51/711379151.db2.gz CXJPBBNRTHNRRD-UHFFFAOYSA-N 1 2 336.439 1.725 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@H]2CCCC[C@H]2Cc2n[nH]c(=O)n2C)nn1 ZINC000922404327 711484128 /nfs/dbraw/zinc/48/41/28/711484128.db2.gz KMCWQVGRQIXKLK-ZFWWWQNUSA-N 1 2 345.451 1.579 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]2CNC(=O)c2cccc3[nH+]ccn32)cn1 ZINC001061413701 711602063 /nfs/dbraw/zinc/60/20/63/711602063.db2.gz KJLQFDJHEWBDIS-HNNXBMFYSA-N 1 2 346.394 2.000 20 30 EDEDLO Cc1nc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c(=O)[nH]c1C ZINC001004471759 711848321 /nfs/dbraw/zinc/84/83/21/711848321.db2.gz YTZKIHDXINEGMO-OAHLLOKOSA-N 1 2 343.431 1.227 20 30 EDEDLO Cc1nc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c(=O)[nH]c1C ZINC001004471759 711848324 /nfs/dbraw/zinc/84/83/24/711848324.db2.gz YTZKIHDXINEGMO-OAHLLOKOSA-N 1 2 343.431 1.227 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001004476505 711856522 /nfs/dbraw/zinc/85/65/22/711856522.db2.gz YHMXJSAEGYVVSX-IRXDYDNUSA-N 1 2 341.459 1.672 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001004476505 711856523 /nfs/dbraw/zinc/85/65/23/711856523.db2.gz YHMXJSAEGYVVSX-IRXDYDNUSA-N 1 2 341.459 1.672 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001004521724 711920566 /nfs/dbraw/zinc/92/05/66/711920566.db2.gz SXBAYRFYCPKCOE-ZIAGYGMSSA-N 1 2 330.432 1.310 20 30 EDEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033147149 712038304 /nfs/dbraw/zinc/03/83/04/712038304.db2.gz UIZFTQRGHROMKR-MRXNPFEDSA-N 1 2 327.432 1.754 20 30 EDEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033147149 712038306 /nfs/dbraw/zinc/03/83/06/712038306.db2.gz UIZFTQRGHROMKR-MRXNPFEDSA-N 1 2 327.432 1.754 20 30 EDEDLO CN1C(=O)CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004603327 712052044 /nfs/dbraw/zinc/05/20/44/712052044.db2.gz YMLAGSLOCMRIFD-HOTGVXAUSA-N 1 2 332.448 1.224 20 30 EDEDLO CN1C(=O)CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004603327 712052045 /nfs/dbraw/zinc/05/20/45/712052045.db2.gz YMLAGSLOCMRIFD-HOTGVXAUSA-N 1 2 332.448 1.224 20 30 EDEDLO CN(C)c1ccc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)nn1 ZINC001004607983 712060578 /nfs/dbraw/zinc/06/05/78/712060578.db2.gz WLOCISKTBUHWJE-MRXNPFEDSA-N 1 2 342.447 1.383 20 30 EDEDLO CN(C)c1ccc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)nn1 ZINC001004607983 712060581 /nfs/dbraw/zinc/06/05/81/712060581.db2.gz WLOCISKTBUHWJE-MRXNPFEDSA-N 1 2 342.447 1.383 20 30 EDEDLO C[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004637743 712107173 /nfs/dbraw/zinc/10/71/73/712107173.db2.gz WLSUVFVUFHRJKE-PBHICJAKSA-N 1 2 329.448 1.750 20 30 EDEDLO C[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004637743 712107174 /nfs/dbraw/zinc/10/71/74/712107174.db2.gz WLSUVFVUFHRJKE-PBHICJAKSA-N 1 2 329.448 1.750 20 30 EDEDLO C[C@@H](CNC(=O)N=c1nc(C(C)(C)C)[nH]s1)[NH+]1CCOCC1 ZINC000329106133 539407522 /nfs/dbraw/zinc/40/75/22/539407522.db2.gz HIFJZWOHQNHKLQ-JTQLQIEISA-N 1 2 327.454 1.304 20 30 EDEDLO CC(C)CC(=O)N1CCC(NC([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329607495 539449021 /nfs/dbraw/zinc/44/90/21/539449021.db2.gz MUGGUQKTRCHSCT-AWEZNQCLSA-N 1 2 347.463 1.808 20 30 EDEDLO CC(C)CC(=O)N1CCC(NC([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329607495 539449026 /nfs/dbraw/zinc/44/90/26/539449026.db2.gz MUGGUQKTRCHSCT-AWEZNQCLSA-N 1 2 347.463 1.808 20 30 EDEDLO O=C(Nc1cccc(-n2cccn2)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329614369 539450198 /nfs/dbraw/zinc/45/01/98/539450198.db2.gz FBRCJAWOHCQUQK-KRWDZBQOSA-N 1 2 341.415 1.824 20 30 EDEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)c1 ZINC000329623658 539451018 /nfs/dbraw/zinc/45/10/18/539451018.db2.gz UWOVCXCZKCYUEI-GXTWGEPZSA-N 1 2 333.413 1.918 20 30 EDEDLO O=C(NC1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1)C1CC1 ZINC000330314881 539549161 /nfs/dbraw/zinc/54/91/61/539549161.db2.gz PIVRMYGALUPGRP-UHFFFAOYSA-N 1 2 343.427 1.710 20 30 EDEDLO CCO[C@H]1C[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000562469072 306299478 /nfs/dbraw/zinc/29/94/78/306299478.db2.gz FKMHMXZWAIRYOA-IRXDYDNUSA-N 1 2 328.416 1.563 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(F)cc3c2OCOC3)CC1 ZINC000024242657 540087030 /nfs/dbraw/zinc/08/70/30/540087030.db2.gz HWANQGZCAFZFCI-UHFFFAOYSA-N 1 2 349.406 1.112 20 30 EDEDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)CC(=O)NC1(C#N)CCCCC1 ZINC000123827663 237141835 /nfs/dbraw/zinc/14/18/35/237141835.db2.gz QDUGHGKAZLDLSG-OAHLLOKOSA-N 1 2 342.443 1.878 20 30 EDEDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)CC(=O)NC1(C#N)CCCCC1 ZINC000123827663 237141842 /nfs/dbraw/zinc/14/18/42/237141842.db2.gz QDUGHGKAZLDLSG-OAHLLOKOSA-N 1 2 342.443 1.878 20 30 EDEDLO C#CC[N@@H+](CC(=O)N(CCC(N)=O)c1ccccc1OC)C1CC1 ZINC000274201585 201267315 /nfs/dbraw/zinc/26/73/15/201267315.db2.gz RRIVJGCODYEFRP-UHFFFAOYSA-N 1 2 329.400 1.001 20 30 EDEDLO C#CC[N@H+](CC(=O)N(CCC(N)=O)c1ccccc1OC)C1CC1 ZINC000274201585 201267318 /nfs/dbraw/zinc/26/73/18/201267318.db2.gz RRIVJGCODYEFRP-UHFFFAOYSA-N 1 2 329.400 1.001 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)C1CC1 ZINC000274185430 201271651 /nfs/dbraw/zinc/27/16/51/201271651.db2.gz PLWZPMGTKUOSHY-UHFFFAOYSA-N 1 2 325.412 1.293 20 30 EDEDLO C#CC[N@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)C1CC1 ZINC000274185430 201271655 /nfs/dbraw/zinc/27/16/55/201271655.db2.gz PLWZPMGTKUOSHY-UHFFFAOYSA-N 1 2 325.412 1.293 20 30 EDEDLO C#CCCCCNC(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000275757205 201286970 /nfs/dbraw/zinc/28/69/70/201286970.db2.gz RGNYKBNCNTUPNG-AWEZNQCLSA-N 1 2 330.436 1.078 20 30 EDEDLO C#CCCCCNC(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000275757205 201286971 /nfs/dbraw/zinc/28/69/71/201286971.db2.gz RGNYKBNCNTUPNG-AWEZNQCLSA-N 1 2 330.436 1.078 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)n1 ZINC000279621014 201320235 /nfs/dbraw/zinc/32/02/35/201320235.db2.gz XVWOZCDJIXIKLD-HOTGVXAUSA-N 1 2 347.463 1.157 20 30 EDEDLO CC1(C)C[C@H](O)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000295562852 201349283 /nfs/dbraw/zinc/34/92/83/201349283.db2.gz UBNNVYBSTLMNND-OAHLLOKOSA-N 1 2 336.457 1.815 20 30 EDEDLO CC1(C)C[C@H](O)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000295562852 201349285 /nfs/dbraw/zinc/34/92/85/201349285.db2.gz UBNNVYBSTLMNND-OAHLLOKOSA-N 1 2 336.457 1.815 20 30 EDEDLO CC1(C)NC(=O)N(CC[NH+]2CCN(c3ccccc3C#N)CC2)C1=O ZINC000101554412 204010224 /nfs/dbraw/zinc/01/02/24/204010224.db2.gz JUHBCYZPAJFIHI-UHFFFAOYSA-N 1 2 341.415 1.011 20 30 EDEDLO CCOCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554475 204010672 /nfs/dbraw/zinc/01/06/72/204010672.db2.gz NDDJPNXGXWEDQX-INIZCTEOSA-N 1 2 344.459 1.612 20 30 EDEDLO C=CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cccc(C#N)c1 ZINC000119653835 204204553 /nfs/dbraw/zinc/20/45/53/204204553.db2.gz FFZSMMXKTOMPFY-CQSZACIVSA-N 1 2 328.416 1.139 20 30 EDEDLO C=CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cccc(C#N)c1 ZINC000119653835 204204557 /nfs/dbraw/zinc/20/45/57/204204557.db2.gz FFZSMMXKTOMPFY-CQSZACIVSA-N 1 2 328.416 1.139 20 30 EDEDLO O=S(=O)([C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1)N1CCCC1 ZINC000157265762 205187694 /nfs/dbraw/zinc/18/76/94/205187694.db2.gz CPNRWJBFULXPOE-QGZVFWFLSA-N 1 2 336.432 1.677 20 30 EDEDLO O=S(=O)([C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1)N1CCCC1 ZINC000157265762 205187698 /nfs/dbraw/zinc/18/76/98/205187698.db2.gz CPNRWJBFULXPOE-QGZVFWFLSA-N 1 2 336.432 1.677 20 30 EDEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000151424548 205640828 /nfs/dbraw/zinc/64/08/28/205640828.db2.gz HCRRLKCNKQKTBY-CZUORRHYSA-N 1 2 337.383 1.803 20 30 EDEDLO CC(C)N(C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C ZINC000155596958 206018306 /nfs/dbraw/zinc/01/83/06/206018306.db2.gz LEGRCWDVWJLVPO-HNNXBMFYSA-N 1 2 344.463 1.504 20 30 EDEDLO CC(C)N(C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)C(C)C ZINC000155596958 206018314 /nfs/dbraw/zinc/01/83/14/206018314.db2.gz LEGRCWDVWJLVPO-HNNXBMFYSA-N 1 2 344.463 1.504 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155733258 206029667 /nfs/dbraw/zinc/02/96/67/206029667.db2.gz MFYSXLOYUHIDAA-UHFFFAOYSA-N 1 2 330.417 1.562 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246291650 139102860 /nfs/dbraw/zinc/10/28/60/139102860.db2.gz BAVIVRMJWDLQNO-QGTPRVQTSA-N 1 2 343.427 1.425 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000160404555 206295834 /nfs/dbraw/zinc/29/58/34/206295834.db2.gz GGLQRMLFLLQDRR-ZDUSSCGKSA-N 1 2 337.445 1.113 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000337843268 249968804 /nfs/dbraw/zinc/96/88/04/249968804.db2.gz GYBPMVDURCDCJY-CQSZACIVSA-N 1 2 347.444 1.500 20 30 EDEDLO CN(CCC(F)(F)F)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000344118479 250016187 /nfs/dbraw/zinc/01/61/87/250016187.db2.gz CBRFKYBGYOKNIU-UHFFFAOYSA-N 1 2 336.358 1.538 20 30 EDEDLO CCOc1ccccc1N1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000346834259 250046514 /nfs/dbraw/zinc/04/65/14/250046514.db2.gz LEBZVNDAYOKUDG-UHFFFAOYSA-N 1 2 342.443 1.770 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](Cn3cncn3)C2)cc(OC)c1O ZINC000353648976 250082975 /nfs/dbraw/zinc/08/29/75/250082975.db2.gz WUFYSJSOQADQBE-INIZCTEOSA-N 1 2 344.415 1.622 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCO[C@H](Cn3cncn3)C2)cc(OC)c1O ZINC000353648976 250082979 /nfs/dbraw/zinc/08/29/79/250082979.db2.gz WUFYSJSOQADQBE-INIZCTEOSA-N 1 2 344.415 1.622 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000354884707 250100397 /nfs/dbraw/zinc/10/03/97/250100397.db2.gz RPNXWSXDISBKTN-NWANDNLSSA-N 1 2 331.420 1.292 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000354884707 250100403 /nfs/dbraw/zinc/10/04/03/250100403.db2.gz RPNXWSXDISBKTN-NWANDNLSSA-N 1 2 331.420 1.292 20 30 EDEDLO CC(C)(C#N)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000358620568 250139660 /nfs/dbraw/zinc/13/96/60/250139660.db2.gz ZLXRPODNGKKFLA-UHFFFAOYSA-N 1 2 325.416 1.935 20 30 EDEDLO C[C@@H](CC#N)N(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000366095365 250189846 /nfs/dbraw/zinc/18/98/46/250189846.db2.gz KXUQHJCBXXGDNW-WMZOPIPTSA-N 1 2 344.459 1.238 20 30 EDEDLO C[C@@H](CC#N)N(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000366095365 250189847 /nfs/dbraw/zinc/18/98/47/250189847.db2.gz KXUQHJCBXXGDNW-WMZOPIPTSA-N 1 2 344.459 1.238 20 30 EDEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000362185337 250179185 /nfs/dbraw/zinc/17/91/85/250179185.db2.gz KORWHBCBZROBFR-UHFFFAOYSA-N 1 2 348.491 1.719 20 30 EDEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000362185337 250179188 /nfs/dbraw/zinc/17/91/88/250179188.db2.gz KORWHBCBZROBFR-UHFFFAOYSA-N 1 2 348.491 1.719 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000368822596 250201209 /nfs/dbraw/zinc/20/12/09/250201209.db2.gz LBWRNJYNGKGOFW-GOEBONIOSA-N 1 2 344.415 1.754 20 30 EDEDLO C#CCCS(=O)(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000377341925 250289487 /nfs/dbraw/zinc/28/94/87/250289487.db2.gz IOVBCMSSTKBNKG-STQMWFEESA-N 1 2 330.450 1.603 20 30 EDEDLO C#CCCS(=O)(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000377341925 250289490 /nfs/dbraw/zinc/28/94/90/250289490.db2.gz IOVBCMSSTKBNKG-STQMWFEESA-N 1 2 330.450 1.603 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000378093687 250296248 /nfs/dbraw/zinc/29/62/48/250296248.db2.gz LIBCONGEMCHGKI-FGTMMUONSA-N 1 2 327.428 1.345 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000378093687 250296253 /nfs/dbraw/zinc/29/62/53/250296253.db2.gz LIBCONGEMCHGKI-FGTMMUONSA-N 1 2 327.428 1.345 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)[C@@H](C)C[N@@H+]1CCO ZINC000416655107 251097931 /nfs/dbraw/zinc/09/79/31/251097931.db2.gz DCWWMKCPSJQZCD-CABCVRRESA-N 1 2 343.493 1.177 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)[C@@H](C)C[N@H+]1CCO ZINC000416655107 251097936 /nfs/dbraw/zinc/09/79/36/251097936.db2.gz DCWWMKCPSJQZCD-CABCVRRESA-N 1 2 343.493 1.177 20 30 EDEDLO Cc1nc(C)n(C[C@H]2C[N@H+](Cc3ccc(C#N)c(C)c3)CCO2)n1 ZINC000487855102 255037384 /nfs/dbraw/zinc/03/73/84/255037384.db2.gz FOUYRBBLZUENNH-GOSISDBHSA-N 1 2 325.416 1.976 20 30 EDEDLO Cc1nc(C)n(C[C@H]2C[N@@H+](Cc3ccc(C#N)c(C)c3)CCO2)n1 ZINC000487855102 255037385 /nfs/dbraw/zinc/03/73/85/255037385.db2.gz FOUYRBBLZUENNH-GOSISDBHSA-N 1 2 325.416 1.976 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1C#N ZINC000489052940 255063043 /nfs/dbraw/zinc/06/30/43/255063043.db2.gz PTLMRZRDPNWYRO-NEPJUHHUSA-N 1 2 334.445 1.983 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(NC(=O)OC)c2C)CC1 ZINC000491674004 255138674 /nfs/dbraw/zinc/13/86/74/255138674.db2.gz QVWBUARDUXFKCS-UHFFFAOYSA-N 1 2 344.415 1.363 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000491692808 255142182 /nfs/dbraw/zinc/14/21/82/255142182.db2.gz JJSBXOMHOOTAKA-LSDHHAIUSA-N 1 2 343.427 1.498 20 30 EDEDLO C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493324242 255204283 /nfs/dbraw/zinc/20/42/83/255204283.db2.gz QUTPRHJFSSVUSK-SNKFXZKGSA-N 1 2 328.416 1.165 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189846628 533503870 /nfs/dbraw/zinc/50/38/70/533503870.db2.gz JDILGQZXCODMEC-OAHLLOKOSA-N 1 2 331.416 1.792 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189846628 533503874 /nfs/dbraw/zinc/50/38/74/533503874.db2.gz JDILGQZXCODMEC-OAHLLOKOSA-N 1 2 331.416 1.792 20 30 EDEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@H]2CNC(=O)O2)CC1 ZINC000269978983 140027527 /nfs/dbraw/zinc/02/75/27/140027527.db2.gz NKOXWKALHUPHBK-LLVKDONJSA-N 1 2 343.343 1.037 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000270949232 140205851 /nfs/dbraw/zinc/20/58/51/140205851.db2.gz SOGGYXWJGADFBB-GXTWGEPZSA-N 1 2 344.415 1.792 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000270949232 140205853 /nfs/dbraw/zinc/20/58/53/140205853.db2.gz SOGGYXWJGADFBB-GXTWGEPZSA-N 1 2 344.415 1.792 20 30 EDEDLO N#Cc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)c(Cl)c1 ZINC000271457203 140297980 /nfs/dbraw/zinc/29/79/80/140297980.db2.gz SPNFCTLZCHACQB-GFCCVEGCSA-N 1 2 338.795 1.026 20 30 EDEDLO CC(=O)N1CC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000331129218 140985530 /nfs/dbraw/zinc/98/55/30/140985530.db2.gz SFCIWHUURZQVIW-SFHVURJKSA-N 1 2 340.427 1.071 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000331510499 141040836 /nfs/dbraw/zinc/04/08/36/141040836.db2.gz CQIPKMRQCPKQOB-KGLIPLIRSA-N 1 2 346.456 1.716 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000331510499 141040837 /nfs/dbraw/zinc/04/08/37/141040837.db2.gz CQIPKMRQCPKQOB-KGLIPLIRSA-N 1 2 346.456 1.716 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331739271 141075752 /nfs/dbraw/zinc/07/57/52/141075752.db2.gz WMCJOCFSSOPQKE-SFHVURJKSA-N 1 2 331.391 1.647 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331739271 141075753 /nfs/dbraw/zinc/07/57/53/141075753.db2.gz WMCJOCFSSOPQKE-SFHVURJKSA-N 1 2 331.391 1.647 20 30 EDEDLO C[C@]1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCO1 ZINC000331857016 141089735 /nfs/dbraw/zinc/08/97/35/141089735.db2.gz DJZJYOAIOZFNME-LJQANCHMSA-N 1 2 342.443 1.955 20 30 EDEDLO Cc1onc(CC(=O)N2CC[NH+](Cc3ccncc3)CC2)c1C#N ZINC000332327022 141162860 /nfs/dbraw/zinc/16/28/60/141162860.db2.gz XPJCMOQZTGJPRI-UHFFFAOYSA-N 1 2 325.372 1.137 20 30 EDEDLO N#Cc1ccncc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000345369566 143083164 /nfs/dbraw/zinc/08/31/64/143083164.db2.gz NLZZZXMNAMZSAZ-UHFFFAOYSA-N 1 2 335.367 1.049 20 30 EDEDLO N#Cc1ccncc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000345369566 143083165 /nfs/dbraw/zinc/08/31/65/143083165.db2.gz NLZZZXMNAMZSAZ-UHFFFAOYSA-N 1 2 335.367 1.049 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CC1(CS(C)(=O)=O)CC1 ZINC000348053626 143395992 /nfs/dbraw/zinc/39/59/92/143395992.db2.gz VUJKVGIYJMFZGG-UHFFFAOYSA-N 1 2 336.457 1.831 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CC1(CS(C)(=O)=O)CC1 ZINC000348053626 143395993 /nfs/dbraw/zinc/39/59/93/143395993.db2.gz VUJKVGIYJMFZGG-UHFFFAOYSA-N 1 2 336.457 1.831 20 30 EDEDLO Cc1ccc(N2CCC(C(=O)Nc3nc(C#N)c(C#N)[nH]3)CC2)[nH+]c1 ZINC000194135725 292128999 /nfs/dbraw/zinc/12/89/99/292128999.db2.gz WOSUCWIPDNGOBT-UHFFFAOYSA-N 1 2 335.371 1.712 20 30 EDEDLO Cc1nn(C)c(C)c1[C@@H]1[C@H]([NH2+]Cc2nc(C#N)cs2)CC(=O)N1C ZINC000352869324 149196173 /nfs/dbraw/zinc/19/61/73/149196173.db2.gz HIIBAUMZCIYUQX-WBMJQRKESA-N 1 2 344.444 1.427 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3nccnc3C#N)CC2)no1 ZINC000353210553 149325032 /nfs/dbraw/zinc/32/50/32/149325032.db2.gz PTAJMWYDVAHLEL-ZDUSSCGKSA-N 1 2 327.392 1.531 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3nccnc3C#N)CC2)no1 ZINC000353210553 149325034 /nfs/dbraw/zinc/32/50/34/149325034.db2.gz PTAJMWYDVAHLEL-ZDUSSCGKSA-N 1 2 327.392 1.531 20 30 EDEDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355111870 150121578 /nfs/dbraw/zinc/12/15/78/150121578.db2.gz YHAADZDFXDBGAE-AWEZNQCLSA-N 1 2 329.448 1.769 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000360235116 151960595 /nfs/dbraw/zinc/96/05/95/151960595.db2.gz RTMNWIRWEBVMCV-UHFFFAOYSA-N 1 2 337.420 1.697 20 30 EDEDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc(F)cc1C#N)CC2 ZINC000363700453 153033521 /nfs/dbraw/zinc/03/35/21/153033521.db2.gz WQCAQEXEWKVMOH-UHFFFAOYSA-N 1 2 327.319 1.183 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1Cl ZINC000364965686 153385017 /nfs/dbraw/zinc/38/50/17/153385017.db2.gz ZJZKRWLYFFJLAB-DETPVDSQSA-N 1 2 346.818 1.736 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1Cl ZINC000364965686 153385018 /nfs/dbraw/zinc/38/50/18/153385018.db2.gz ZJZKRWLYFFJLAB-DETPVDSQSA-N 1 2 346.818 1.736 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1 ZINC000369598261 155104104 /nfs/dbraw/zinc/10/41/04/155104104.db2.gz XHJKHUQHSJMAHD-BPQIPLTHSA-N 1 2 344.411 1.368 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)cc1 ZINC000369598261 155104107 /nfs/dbraw/zinc/10/41/07/155104107.db2.gz XHJKHUQHSJMAHD-BPQIPLTHSA-N 1 2 344.411 1.368 20 30 EDEDLO C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1c1ccc(C#N)cc1F ZINC000374154540 157169038 /nfs/dbraw/zinc/16/90/38/157169038.db2.gz XSFJWKYIORTSOG-HOCLYGCPSA-N 1 2 332.423 1.538 20 30 EDEDLO C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1c1ccc(C#N)cc1F ZINC000374154540 157169039 /nfs/dbraw/zinc/16/90/39/157169039.db2.gz XSFJWKYIORTSOG-HOCLYGCPSA-N 1 2 332.423 1.538 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000408002056 158238684 /nfs/dbraw/zinc/23/86/84/158238684.db2.gz KJHQCDIRABJGOC-OAHLLOKOSA-N 1 2 327.432 1.476 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)C1CC1 ZINC000352301137 162104943 /nfs/dbraw/zinc/10/49/43/162104943.db2.gz CKOKUUWDMKYPJQ-CQSZACIVSA-N 1 2 334.376 1.860 20 30 EDEDLO N#Cc1sccc1N1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000527537154 269982482 /nfs/dbraw/zinc/98/24/82/269982482.db2.gz XTCQYYBJSAWNRK-UHFFFAOYSA-N 1 2 329.429 1.945 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)cc1F ZINC000290234440 270010676 /nfs/dbraw/zinc/01/06/76/270010676.db2.gz LJKMVFNMFRCFJV-UHFFFAOYSA-N 1 2 341.346 1.485 20 30 EDEDLO COC(=O)c1cccc(C[NH+]2CCC(N3CCNC3=O)CC2)c1C#N ZINC000533778654 270016106 /nfs/dbraw/zinc/01/61/06/270016106.db2.gz WACBWYVWRQAHOD-UHFFFAOYSA-N 1 2 342.399 1.334 20 30 EDEDLO C[C@H]1SCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1C ZINC000290484387 267248935 /nfs/dbraw/zinc/24/89/35/267248935.db2.gz XLYOOTRUISVWPX-NWDGAFQWSA-N 1 2 325.459 1.553 20 30 EDEDLO C[C@H]1SCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1C ZINC000290484387 267248938 /nfs/dbraw/zinc/24/89/38/267248938.db2.gz XLYOOTRUISVWPX-NWDGAFQWSA-N 1 2 325.459 1.553 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000529750643 267969285 /nfs/dbraw/zinc/96/92/85/267969285.db2.gz GGICAIAFAHNQNZ-LJQANCHMSA-N 1 2 343.427 1.212 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000529750643 267969290 /nfs/dbraw/zinc/96/92/90/267969290.db2.gz GGICAIAFAHNQNZ-LJQANCHMSA-N 1 2 343.427 1.212 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000440229839 268066052 /nfs/dbraw/zinc/06/60/52/268066052.db2.gz UFTORCWQHWIPRJ-UHFFFAOYSA-N 1 2 349.394 1.549 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281197721 268100890 /nfs/dbraw/zinc/10/08/90/268100890.db2.gz CGCIQMZMECLQQV-YPMHNXCESA-N 1 2 348.790 1.580 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281197721 268100893 /nfs/dbraw/zinc/10/08/93/268100893.db2.gz CGCIQMZMECLQQV-YPMHNXCESA-N 1 2 348.790 1.580 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(C(F)F)C2)c(C#N)c1C ZINC000451435796 268104403 /nfs/dbraw/zinc/10/44/03/268104403.db2.gz RESNUSZZUZRSCE-BJOHPYRUSA-N 1 2 327.331 1.797 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(C(F)F)C2)c(C#N)c1C ZINC000451435796 268104404 /nfs/dbraw/zinc/10/44/04/268104404.db2.gz RESNUSZZUZRSCE-BJOHPYRUSA-N 1 2 327.331 1.797 20 30 EDEDLO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000428249382 268163399 /nfs/dbraw/zinc/16/33/99/268163399.db2.gz SSOZEUPCMGNOOQ-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1c(F)cccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000428249382 268163400 /nfs/dbraw/zinc/16/34/00/268163400.db2.gz SSOZEUPCMGNOOQ-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccncc2OCC(F)F)C(N)=O)cc1 ZINC000442122934 268262171 /nfs/dbraw/zinc/26/21/71/268262171.db2.gz GDXLIGYTRYJRPT-MRXNPFEDSA-N 1 2 346.337 1.913 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000281052663 268307730 /nfs/dbraw/zinc/30/77/30/268307730.db2.gz QZAQGZQMUHCEKF-UHFFFAOYSA-N 1 2 330.413 1.838 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+](CCCO)Cc1ccccn1 ZINC000281052663 268307733 /nfs/dbraw/zinc/30/77/33/268307733.db2.gz QZAQGZQMUHCEKF-UHFFFAOYSA-N 1 2 330.413 1.838 20 30 EDEDLO N#Cc1cnn2cc(C[N@@H+](CCC3CCCCC3)CC(N)=O)cnc12 ZINC000517031513 268317382 /nfs/dbraw/zinc/31/73/82/268317382.db2.gz INZDXVNMGRZFAP-UHFFFAOYSA-N 1 2 340.431 1.859 20 30 EDEDLO N#Cc1cnn2cc(C[N@H+](CCC3CCCCC3)CC(N)=O)cnc12 ZINC000517031513 268317383 /nfs/dbraw/zinc/31/73/83/268317383.db2.gz INZDXVNMGRZFAP-UHFFFAOYSA-N 1 2 340.431 1.859 20 30 EDEDLO Cc1nc(C(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)ccc1C#N ZINC000275875822 268380112 /nfs/dbraw/zinc/38/01/12/268380112.db2.gz GTHPGMPOKZNFKD-HNNXBMFYSA-N 1 2 336.399 1.398 20 30 EDEDLO Cc1nc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)ccc1C#N ZINC000275875822 268380113 /nfs/dbraw/zinc/38/01/13/268380113.db2.gz GTHPGMPOKZNFKD-HNNXBMFYSA-N 1 2 336.399 1.398 20 30 EDEDLO C=CC[C@H]1N(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCC1(C)C ZINC000346990662 275434640 /nfs/dbraw/zinc/43/46/40/275434640.db2.gz VYBFOMLPIVRHND-LSDHHAIUSA-N 1 2 344.459 1.907 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000333367989 298136531 /nfs/dbraw/zinc/13/65/31/298136531.db2.gz YUZPZKGOVKTICJ-JKSUJKDBSA-N 1 2 349.475 1.987 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000333367989 298136534 /nfs/dbraw/zinc/13/65/34/298136534.db2.gz YUZPZKGOVKTICJ-JKSUJKDBSA-N 1 2 349.475 1.987 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CC#N ZINC000286071621 302995191 /nfs/dbraw/zinc/99/51/91/302995191.db2.gz DFZDERNXPGHNFU-LBPRGKRZSA-N 1 2 333.392 1.454 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1[C@H](C(=O)N2CC(C)(C#N)C2)CCC(=O)N1C1CC1 ZINC000346703037 303029464 /nfs/dbraw/zinc/02/94/64/303029464.db2.gz QKWNORGPFUHWIM-CJNGLKHVSA-N 1 2 341.415 1.234 20 30 EDEDLO N#C[C@H]1CC[C@@H](NC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)C1 ZINC000425863249 447339970 /nfs/dbraw/zinc/33/99/70/447339970.db2.gz NTJWHLZCTWTCHS-JKSUJKDBSA-N 1 2 346.431 1.816 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(O)c(F)c1 ZINC000448833412 447349758 /nfs/dbraw/zinc/34/97/58/447349758.db2.gz CWGBBJMJWCWBEC-UHFFFAOYSA-N 1 2 335.379 1.148 20 30 EDEDLO COCCO[C@@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000536374622 306020429 /nfs/dbraw/zinc/02/04/29/306020429.db2.gz MPSSNBVKCYJWAT-OAHLLOKOSA-N 1 2 332.400 1.972 20 30 EDEDLO COCCO[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000536374622 306020430 /nfs/dbraw/zinc/02/04/30/306020430.db2.gz MPSSNBVKCYJWAT-OAHLLOKOSA-N 1 2 332.400 1.972 20 30 EDEDLO N#Cc1ncc(OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC000547956327 306115991 /nfs/dbraw/zinc/11/59/91/306115991.db2.gz YAOQMHZHLRGEEZ-UHFFFAOYSA-N 1 2 343.412 1.133 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCO1 ZINC000556821279 306218701 /nfs/dbraw/zinc/21/87/01/306218701.db2.gz CARKBFMMNNNMFD-OKZBNKHCSA-N 1 2 327.428 1.889 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCO1 ZINC000556821279 306218702 /nfs/dbraw/zinc/21/87/02/306218702.db2.gz CARKBFMMNNNMFD-OKZBNKHCSA-N 1 2 327.428 1.889 20 30 EDEDLO C=CCC[C@H](CO)NC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000458472163 447380019 /nfs/dbraw/zinc/38/00/19/447380019.db2.gz HOVVQFOJQDFIEB-ZIAGYGMSSA-N 1 2 348.451 1.113 20 30 EDEDLO C=CCC[C@H](CO)NC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000458472163 447380022 /nfs/dbraw/zinc/38/00/22/447380022.db2.gz HOVVQFOJQDFIEB-ZIAGYGMSSA-N 1 2 348.451 1.113 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000045097069 440949318 /nfs/dbraw/zinc/94/93/18/440949318.db2.gz ZTXPFQZPXOXJPT-AWEZNQCLSA-N 1 2 346.431 1.071 20 30 EDEDLO C[C@](C#N)(NC(=O)C[NH+]1CCN(c2ccccc2O)CC1)C1CC1 ZINC000006982754 441028068 /nfs/dbraw/zinc/02/80/68/441028068.db2.gz SIRDDEBJTJIPSG-GOSISDBHSA-N 1 2 328.416 1.323 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3nccs3)CC2)cc1 ZINC000071080799 441138320 /nfs/dbraw/zinc/13/83/20/441138320.db2.gz NYJYGLROJOZSSO-UHFFFAOYSA-N 1 2 341.440 1.771 20 30 EDEDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481627 441246637 /nfs/dbraw/zinc/24/66/37/441246637.db2.gz NZGTWVIWTPKSNG-HNNXBMFYSA-N 1 2 341.459 1.913 20 30 EDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000081514993 441279931 /nfs/dbraw/zinc/27/99/31/441279931.db2.gz DZUXJLJZNIMPNV-HUUCEWRRSA-N 1 2 331.416 1.909 20 30 EDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000081514993 441279935 /nfs/dbraw/zinc/27/99/35/441279935.db2.gz DZUXJLJZNIMPNV-HUUCEWRRSA-N 1 2 331.416 1.909 20 30 EDEDLO COc1cc(C(N)=[NH+]OCC(=O)NCC(C)C)cc(Cl)c1OC ZINC000063458312 441329594 /nfs/dbraw/zinc/32/95/94/441329594.db2.gz DALWXUJRLGBBRM-UHFFFAOYSA-N 1 2 343.811 1.766 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(OCC)ccc2OCC)CC1 ZINC000085269574 441430987 /nfs/dbraw/zinc/43/09/87/441430987.db2.gz JDCUOTVJSLHVJC-UHFFFAOYSA-N 1 2 345.443 1.673 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857047 441476449 /nfs/dbraw/zinc/47/64/49/441476449.db2.gz ZRRDOSZRIULVHY-LBPRGKRZSA-N 1 2 347.394 1.054 20 30 EDEDLO COc1ccccc1N1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000052634644 441465716 /nfs/dbraw/zinc/46/57/16/441465716.db2.gz NASHQIWKGQFZPY-OAHLLOKOSA-N 1 2 330.432 1.578 20 30 EDEDLO Cc1nc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1C#N ZINC000031935840 441541280 /nfs/dbraw/zinc/54/12/80/441541280.db2.gz IOVKJVQWNDZTNZ-QGZVFWFLSA-N 1 2 346.456 1.199 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(=O)n3nccc3[nH]2)CC1 ZINC000088524456 441511758 /nfs/dbraw/zinc/51/17/58/441511758.db2.gz COIQRJQPKQRNPO-KRWDZBQOSA-N 1 2 348.410 1.405 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000066818657 441571915 /nfs/dbraw/zinc/57/19/15/441571915.db2.gz QNRXFWJVKCAZSA-UHFFFAOYSA-N 1 2 334.387 1.711 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000066867204 441577286 /nfs/dbraw/zinc/57/72/86/441577286.db2.gz OCEBTWKIWPPFMZ-UHFFFAOYSA-N 1 2 333.476 1.912 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000055546214 441654282 /nfs/dbraw/zinc/65/42/82/441654282.db2.gz VXGBSPXPEDPAQA-UHFFFAOYSA-N 1 2 333.335 1.513 20 30 EDEDLO N#CCNC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000076667790 441672104 /nfs/dbraw/zinc/67/21/04/441672104.db2.gz XJRIFGQBKBMQEK-UHFFFAOYSA-N 1 2 326.322 1.467 20 30 EDEDLO CCCCOCCNC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000055901109 441672907 /nfs/dbraw/zinc/67/29/07/441672907.db2.gz XUICZJIPAGEWPC-UHFFFAOYSA-N 1 2 345.447 1.008 20 30 EDEDLO CN(CC[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1)C(=O)OC(C)(C)C ZINC000091766797 441737680 /nfs/dbraw/zinc/73/76/80/441737680.db2.gz JCSCQSKRGAZQFA-KRWDZBQOSA-N 1 2 338.452 1.594 20 30 EDEDLO CN(CC[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1)C(=O)OC(C)(C)C ZINC000091766797 441737684 /nfs/dbraw/zinc/73/76/84/441737684.db2.gz JCSCQSKRGAZQFA-KRWDZBQOSA-N 1 2 338.452 1.594 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C(N)=O)c1ccc(C#N)cc1)C2 ZINC000115543334 441754092 /nfs/dbraw/zinc/75/40/92/441754092.db2.gz UCPUPKWYSZWYHU-QGZVFWFLSA-N 1 2 337.427 2.000 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000115597971 441764232 /nfs/dbraw/zinc/76/42/32/441764232.db2.gz IKFVZELURNFSSZ-INIZCTEOSA-N 1 2 342.786 1.966 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000042295273 441721451 /nfs/dbraw/zinc/72/14/51/441721451.db2.gz LFHYODIZTFAQEB-ZDUSSCGKSA-N 1 2 344.415 1.043 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000042295273 441721454 /nfs/dbraw/zinc/72/14/54/441721454.db2.gz LFHYODIZTFAQEB-ZDUSSCGKSA-N 1 2 344.415 1.043 20 30 EDEDLO CCc1nc(CN2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)no1 ZINC000121528925 441725154 /nfs/dbraw/zinc/72/51/54/441725154.db2.gz MSZDJOJTVBNXPH-UHFFFAOYSA-N 1 2 329.379 1.961 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000141937025 441858225 /nfs/dbraw/zinc/85/82/25/441858225.db2.gz ABKQURNDSSTQCD-ZDUSSCGKSA-N 1 2 336.461 1.290 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000141937025 441858228 /nfs/dbraw/zinc/85/82/28/441858228.db2.gz ABKQURNDSSTQCD-ZDUSSCGKSA-N 1 2 336.461 1.290 20 30 EDEDLO C=CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000117762639 441878824 /nfs/dbraw/zinc/87/88/24/441878824.db2.gz MSLFIEBKTCEFEY-MRXNPFEDSA-N 1 2 345.424 1.688 20 30 EDEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000118393349 441894671 /nfs/dbraw/zinc/89/46/71/441894671.db2.gz YUDRHDMYHCWWRA-ZDUSSCGKSA-N 1 2 326.400 1.042 20 30 EDEDLO COCCc1noc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000151155339 442016927 /nfs/dbraw/zinc/01/69/27/442016927.db2.gz BMJGYWFFKVZKSR-UHFFFAOYSA-N 1 2 343.387 1.591 20 30 EDEDLO COCCc1noc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000151155339 442016934 /nfs/dbraw/zinc/01/69/34/442016934.db2.gz BMJGYWFFKVZKSR-UHFFFAOYSA-N 1 2 343.387 1.591 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000151270656 442034894 /nfs/dbraw/zinc/03/48/94/442034894.db2.gz HCFCWMVKHLSURV-HKUYNNGSSA-N 1 2 349.438 1.855 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@](C)(CCCCCC)C2=O)CC1 ZINC000151385041 442053622 /nfs/dbraw/zinc/05/36/22/442053622.db2.gz PPSZSCYCCCTAOL-GOSISDBHSA-N 1 2 334.464 1.476 20 30 EDEDLO C=C(C)CN(CC)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000079543137 442059499 /nfs/dbraw/zinc/05/94/99/442059499.db2.gz MRSVLZKVTPBEDV-MRXNPFEDSA-N 1 2 327.494 1.802 20 30 EDEDLO C[C@@H](CC#N)N(C)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000163139747 442146054 /nfs/dbraw/zinc/14/60/54/442146054.db2.gz BCASKUOKDGNKJE-HNNXBMFYSA-N 1 2 343.431 1.271 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000164383620 442195858 /nfs/dbraw/zinc/19/58/58/442195858.db2.gz CQZWQWJHQGGEDL-UHFFFAOYSA-N 1 2 349.456 1.317 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000166169408 442214244 /nfs/dbraw/zinc/21/42/44/442214244.db2.gz XZOGFANZATZDOE-HNNXBMFYSA-N 1 2 342.424 1.901 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CCN1CC(F)F ZINC000153485613 442285194 /nfs/dbraw/zinc/28/51/94/442285194.db2.gz GAZQDVUSWWSYMZ-AWEZNQCLSA-N 1 2 341.406 1.304 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCN1CC(F)F ZINC000153485613 442285196 /nfs/dbraw/zinc/28/51/96/442285196.db2.gz GAZQDVUSWWSYMZ-AWEZNQCLSA-N 1 2 341.406 1.304 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000170928713 442290735 /nfs/dbraw/zinc/29/07/35/442290735.db2.gz MQPCFMGMQFZNDV-QGZVFWFLSA-N 1 2 342.443 1.761 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000170928713 442290739 /nfs/dbraw/zinc/29/07/39/442290739.db2.gz MQPCFMGMQFZNDV-QGZVFWFLSA-N 1 2 342.443 1.761 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(N3CCCCC3=O)CC2)cc1 ZINC000153093683 442260286 /nfs/dbraw/zinc/26/02/86/442260286.db2.gz XNVZXCOGIKAROC-SFHVURJKSA-N 1 2 340.427 1.562 20 30 EDEDLO CN1CC[NH+]([C@@H](C(=O)N2CCC(C#N)CC2)c2ccccc2)CC1 ZINC000171680318 442369642 /nfs/dbraw/zinc/36/96/42/442369642.db2.gz CRYSRTSGCAALOY-GOSISDBHSA-N 1 2 326.444 1.737 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(F)cc1C#N ZINC000132808736 442400571 /nfs/dbraw/zinc/40/05/71/442400571.db2.gz PLMUUUBCSPTTNC-UHFFFAOYSA-N 1 2 345.378 1.777 20 30 EDEDLO CCOc1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1O ZINC000154773601 442355861 /nfs/dbraw/zinc/35/58/61/442355861.db2.gz SEHRIYYBRQWFTE-UHFFFAOYSA-N 1 2 333.432 1.839 20 30 EDEDLO CCOc1cccc(C[N@H+](CCC#N)CCN2CCOCC2)c1O ZINC000154773601 442355864 /nfs/dbraw/zinc/35/58/64/442355864.db2.gz SEHRIYYBRQWFTE-UHFFFAOYSA-N 1 2 333.432 1.839 20 30 EDEDLO CCOc1cccc(C[N@@H+](CCC#N)CCN2CCOCC2)c1O ZINC000154773601 442355866 /nfs/dbraw/zinc/35/58/66/442355866.db2.gz SEHRIYYBRQWFTE-UHFFFAOYSA-N 1 2 333.432 1.839 20 30 EDEDLO C[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccncc1 ZINC000156281266 442462798 /nfs/dbraw/zinc/46/27/98/442462798.db2.gz HKYSLPUEZSKGHF-MRXNPFEDSA-N 1 2 330.432 1.650 20 30 EDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000134317279 442469275 /nfs/dbraw/zinc/46/92/75/442469275.db2.gz XHLFTFUBZMNSIX-AWEZNQCLSA-N 1 2 325.409 1.599 20 30 EDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000134317279 442469279 /nfs/dbraw/zinc/46/92/79/442469279.db2.gz XHLFTFUBZMNSIX-AWEZNQCLSA-N 1 2 325.409 1.599 20 30 EDEDLO CCN(CC)C(=O)CN1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000186163271 442475046 /nfs/dbraw/zinc/47/50/46/442475046.db2.gz VNKREZRHCGUHTR-UHFFFAOYSA-N 1 2 328.460 1.853 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186163271 442475051 /nfs/dbraw/zinc/47/50/51/442475051.db2.gz VNKREZRHCGUHTR-UHFFFAOYSA-N 1 2 328.460 1.853 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178775470 442481373 /nfs/dbraw/zinc/48/13/73/442481373.db2.gz XETATOYQLRJVFR-LJQANCHMSA-N 1 2 346.450 1.998 20 30 EDEDLO COc1ccc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cc1C#N ZINC000134950843 442540212 /nfs/dbraw/zinc/54/02/12/442540212.db2.gz BEUOYXPNGFETQV-CQSZACIVSA-N 1 2 342.443 1.352 20 30 EDEDLO COc1ccc(C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1C#N ZINC000134950843 442540220 /nfs/dbraw/zinc/54/02/20/442540220.db2.gz BEUOYXPNGFETQV-CQSZACIVSA-N 1 2 342.443 1.352 20 30 EDEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000191994792 442559173 /nfs/dbraw/zinc/55/91/73/442559173.db2.gz QBYCVUAAYKRFFS-SFHVURJKSA-N 1 2 343.471 1.197 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1F ZINC000191986814 442555966 /nfs/dbraw/zinc/55/59/66/442555966.db2.gz VLMQTRLQHASPSW-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1F ZINC000191986814 442555972 /nfs/dbraw/zinc/55/59/72/442555972.db2.gz VLMQTRLQHASPSW-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO C=CCNC(=O)CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000180400114 442595888 /nfs/dbraw/zinc/59/58/88/442595888.db2.gz PEOIFNMHGPJJRU-UHFFFAOYSA-N 1 2 345.447 1.419 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CC1CCSCC1 ZINC000135489411 442602218 /nfs/dbraw/zinc/60/22/18/442602218.db2.gz WPLCLRCVRIEQRM-UHFFFAOYSA-N 1 2 325.478 1.594 20 30 EDEDLO NC(=[NH+]OCC(=O)NCc1cccs1)c1ccc2c(c1)CCO2 ZINC000158163290 442651169 /nfs/dbraw/zinc/65/11/69/442651169.db2.gz IISVAHRGRPSZHU-UHFFFAOYSA-N 1 2 331.397 1.636 20 30 EDEDLO Cc1nnc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)n1C ZINC000181880634 442720357 /nfs/dbraw/zinc/72/03/57/442720357.db2.gz QGNOQTMQWDIYDA-UHFFFAOYSA-N 1 2 329.408 1.346 20 30 EDEDLO C#CCOc1ccccc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000188105817 442712252 /nfs/dbraw/zinc/71/22/52/442712252.db2.gz ORRMGUUDPJAUPQ-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO C#CCOc1ccccc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000188105817 442712256 /nfs/dbraw/zinc/71/22/56/442712256.db2.gz ORRMGUUDPJAUPQ-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000265448498 442776725 /nfs/dbraw/zinc/77/67/25/442776725.db2.gz SOHDRTQZJZSSJJ-CYBMUJFWSA-N 1 2 335.452 1.175 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000265447903 442776785 /nfs/dbraw/zinc/77/67/85/442776785.db2.gz AEPOCTZNUZXKBE-HNNXBMFYSA-N 1 2 327.432 1.476 20 30 EDEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000268243433 442915141 /nfs/dbraw/zinc/91/51/41/442915141.db2.gz RVHIJIXADJLJCS-CQSZACIVSA-N 1 2 325.409 1.601 20 30 EDEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000268243433 442915143 /nfs/dbraw/zinc/91/51/43/442915143.db2.gz RVHIJIXADJLJCS-CQSZACIVSA-N 1 2 325.409 1.601 20 30 EDEDLO C=C(C)CN(CC)C(=O)CN1CCc2[nH+]c[nH]c2[C@@H]1c1ccnn1C ZINC000625502031 450397588 /nfs/dbraw/zinc/39/75/88/450397588.db2.gz MDXHTQUJENIAIE-SFHVURJKSA-N 1 2 342.447 1.515 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)c1ccccc1F ZINC000268386490 442970597 /nfs/dbraw/zinc/97/05/97/442970597.db2.gz ZKRAGYALBCOWJZ-DYVFJYSZSA-N 1 2 341.390 1.731 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)c1ccccc1F ZINC000268386490 442970600 /nfs/dbraw/zinc/97/06/00/442970600.db2.gz ZKRAGYALBCOWJZ-DYVFJYSZSA-N 1 2 341.390 1.731 20 30 EDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000249874642 443008345 /nfs/dbraw/zinc/00/83/45/443008345.db2.gz LDZZVJBPLKHZOJ-LSDHHAIUSA-N 1 2 346.431 1.434 20 30 EDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000249874642 443008347 /nfs/dbraw/zinc/00/83/47/443008347.db2.gz LDZZVJBPLKHZOJ-LSDHHAIUSA-N 1 2 346.431 1.434 20 30 EDEDLO CCc1nnc(C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000190670512 443160932 /nfs/dbraw/zinc/16/09/32/443160932.db2.gz RQNXZGNQPIDFHD-QGZVFWFLSA-N 1 2 332.452 1.601 20 30 EDEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)n1 ZINC000190670512 443160935 /nfs/dbraw/zinc/16/09/35/443160935.db2.gz RQNXZGNQPIDFHD-QGZVFWFLSA-N 1 2 332.452 1.601 20 30 EDEDLO CCc1nc(C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)n[nH]1 ZINC000190670512 443160939 /nfs/dbraw/zinc/16/09/39/443160939.db2.gz RQNXZGNQPIDFHD-QGZVFWFLSA-N 1 2 332.452 1.601 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1CCC ZINC000245732211 443247058 /nfs/dbraw/zinc/24/70/58/443247058.db2.gz JPGSFMNVPXUEFO-IAGOWNOFSA-N 1 2 332.444 1.755 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCNC(=O)[C@H]1CCC ZINC000245732211 443247062 /nfs/dbraw/zinc/24/70/62/443247062.db2.gz JPGSFMNVPXUEFO-IAGOWNOFSA-N 1 2 332.444 1.755 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000264166229 443253895 /nfs/dbraw/zinc/25/38/95/443253895.db2.gz KZLRKGIQDASACI-UHFFFAOYSA-N 1 2 327.428 1.201 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000264166229 443253900 /nfs/dbraw/zinc/25/39/00/443253900.db2.gz KZLRKGIQDASACI-UHFFFAOYSA-N 1 2 327.428 1.201 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610994352 450401074 /nfs/dbraw/zinc/40/10/74/450401074.db2.gz DQTBZMDZDBFZLX-OAHLLOKOSA-N 1 2 327.432 1.082 20 30 EDEDLO C=CC[N@@H+](C[C@@H](O)c1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000264576459 443333203 /nfs/dbraw/zinc/33/32/03/443333203.db2.gz UGWQYTUNUCURGK-IUODEOHRSA-N 1 2 331.384 1.673 20 30 EDEDLO C=CC[N@H+](C[C@@H](O)c1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000264576459 443333209 /nfs/dbraw/zinc/33/32/09/443333209.db2.gz UGWQYTUNUCURGK-IUODEOHRSA-N 1 2 331.384 1.673 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(C#N)c1C ZINC000269642125 443375671 /nfs/dbraw/zinc/37/56/71/443375671.db2.gz SFTQQSKLHPMGBH-KGLIPLIRSA-N 1 2 335.429 1.913 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@H]3COCC[C@H]32)c(C#N)c1C ZINC000269642125 443375676 /nfs/dbraw/zinc/37/56/76/443375676.db2.gz SFTQQSKLHPMGBH-KGLIPLIRSA-N 1 2 335.429 1.913 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000264626218 443352630 /nfs/dbraw/zinc/35/26/30/443352630.db2.gz SPCCLWMKNIIYMD-HIFRSBDPSA-N 1 2 341.333 1.562 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000264626218 443352633 /nfs/dbraw/zinc/35/26/33/443352633.db2.gz SPCCLWMKNIIYMD-HIFRSBDPSA-N 1 2 341.333 1.562 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cc(O)ccc1Br ZINC000272869273 443472906 /nfs/dbraw/zinc/47/29/06/443472906.db2.gz SEHORKOOGKUZJP-UHFFFAOYSA-N 1 2 334.235 1.845 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)N(C)[C@H](C)CC#N ZINC000282899746 443463272 /nfs/dbraw/zinc/46/32/72/443463272.db2.gz FFYGDJSRFZRUQP-CYBMUJFWSA-N 1 2 349.460 1.803 20 30 EDEDLO CC(C)(C)OC(=O)CNC(=O)CO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000272969065 443505511 /nfs/dbraw/zinc/50/55/11/443505511.db2.gz QWRGXXNQYBMTCM-UHFFFAOYSA-N 1 2 343.330 1.060 20 30 EDEDLO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000271709454 443510000 /nfs/dbraw/zinc/51/00/00/443510000.db2.gz GMOHBBQTWFYCML-ZDUSSCGKSA-N 1 2 341.429 1.585 20 30 EDEDLO C=CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000271709454 443510001 /nfs/dbraw/zinc/51/00/01/443510001.db2.gz GMOHBBQTWFYCML-ZDUSSCGKSA-N 1 2 341.429 1.585 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)N(CCC#N)c1ccccc1 ZINC000273940027 443587989 /nfs/dbraw/zinc/58/79/89/443587989.db2.gz DHNBETCGDZYLJH-UONOGXRCSA-N 1 2 326.404 1.801 20 30 EDEDLO Cn1c2ccc(NC(=O)C(=O)NCCCC#N)cc2[nH+]c1C1CC1 ZINC000273145642 443549945 /nfs/dbraw/zinc/54/99/45/443549945.db2.gz VAVQXQRNVWWLOC-UHFFFAOYSA-N 1 2 325.372 1.809 20 30 EDEDLO C[N@H+](CCN1CCOC(C)(C)C1)CC(=O)Nc1sccc1C#N ZINC000279727047 443625865 /nfs/dbraw/zinc/62/58/65/443625865.db2.gz MTCXYPSMOVMRQU-UHFFFAOYSA-N 1 2 336.461 1.601 20 30 EDEDLO C[N@@H+](CCN1CCOC(C)(C)C1)CC(=O)Nc1sccc1C#N ZINC000279727047 443625868 /nfs/dbraw/zinc/62/58/68/443625868.db2.gz MTCXYPSMOVMRQU-UHFFFAOYSA-N 1 2 336.461 1.601 20 30 EDEDLO CN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000283316466 443599623 /nfs/dbraw/zinc/59/96/23/443599623.db2.gz PZCHPZSLHBRKDA-UHFFFAOYSA-N 1 2 325.372 1.761 20 30 EDEDLO C=C[C@H](CO)NC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000290922361 443711740 /nfs/dbraw/zinc/71/17/40/443711740.db2.gz FKWLJQWKWIQUCO-ZIAGYGMSSA-N 1 2 339.461 1.276 20 30 EDEDLO C=C[C@@H](CO)NC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000290922359 443712083 /nfs/dbraw/zinc/71/20/83/443712083.db2.gz FKWLJQWKWIQUCO-UONOGXRCSA-N 1 2 339.461 1.276 20 30 EDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)c1ccc(C#N)o1 ZINC000286472656 443712588 /nfs/dbraw/zinc/71/25/88/443712588.db2.gz AABHSPZIOAPEPQ-UHFFFAOYSA-N 1 2 348.306 1.731 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)(C)C ZINC000290940458 443716117 /nfs/dbraw/zinc/71/61/17/443716117.db2.gz FXGIRDKYZAIDIF-KGLIPLIRSA-N 1 2 344.463 1.834 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)(C)C ZINC000290940458 443716121 /nfs/dbraw/zinc/71/61/21/443716121.db2.gz FXGIRDKYZAIDIF-KGLIPLIRSA-N 1 2 344.463 1.834 20 30 EDEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[C@H]1O ZINC000286727250 443722393 /nfs/dbraw/zinc/72/23/93/443722393.db2.gz XNTFMIIGCLCBND-NWANDNLSSA-N 1 2 340.383 1.357 20 30 EDEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[C@H]1O ZINC000286727250 443722398 /nfs/dbraw/zinc/72/23/98/443722398.db2.gz XNTFMIIGCLCBND-NWANDNLSSA-N 1 2 340.383 1.357 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C(=O)OC)C2CC2)c(OC)c1 ZINC000284849563 443790201 /nfs/dbraw/zinc/79/02/01/443790201.db2.gz COUOFHDKSARDFF-YJBOKZPZSA-N 1 2 349.427 1.705 20 30 EDEDLO Cc1[nH]nc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000287849927 443758806 /nfs/dbraw/zinc/75/88/06/443758806.db2.gz DPTSXSFHWHSWEL-OAHLLOKOSA-N 1 2 325.372 1.429 20 30 EDEDLO Cc1[nH]nc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000287849927 443758809 /nfs/dbraw/zinc/75/88/09/443758809.db2.gz DPTSXSFHWHSWEL-OAHLLOKOSA-N 1 2 325.372 1.429 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)COc2ccc(C#N)cc2)CCN1C ZINC000276621999 443768689 /nfs/dbraw/zinc/76/86/89/443768689.db2.gz JXHYLUAGBHIEJH-MRXNPFEDSA-N 1 2 339.399 1.186 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cc3cccc(OCC#N)c3)C[C@@H]21 ZINC000284190206 443769975 /nfs/dbraw/zinc/76/99/75/443769975.db2.gz SPOWOVSELMNIFN-DLBZAZTESA-N 1 2 329.400 1.063 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3cccc(OCC#N)c3)C[C@@H]21 ZINC000284190206 443769977 /nfs/dbraw/zinc/76/99/77/443769977.db2.gz SPOWOVSELMNIFN-DLBZAZTESA-N 1 2 329.400 1.063 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)CSCC#N ZINC000281122108 443825146 /nfs/dbraw/zinc/82/51/46/443825146.db2.gz GAWZCHKSDQFUKE-STQMWFEESA-N 1 2 339.440 1.048 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(OCC#N)c3)C[C@@H]21 ZINC000285068474 443843747 /nfs/dbraw/zinc/84/37/47/443843747.db2.gz XLBGDBACDZVZSM-JKSUJKDBSA-N 1 2 330.388 1.526 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc(OCC#N)c3)C[C@@H]21 ZINC000285068474 443843750 /nfs/dbraw/zinc/84/37/50/443843750.db2.gz XLBGDBACDZVZSM-JKSUJKDBSA-N 1 2 330.388 1.526 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000298771140 443864009 /nfs/dbraw/zinc/86/40/09/443864009.db2.gz AOVQHAGMIMIHGL-GFCCVEGCSA-N 1 2 333.413 1.736 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000298771140 443864010 /nfs/dbraw/zinc/86/40/10/443864010.db2.gz AOVQHAGMIMIHGL-GFCCVEGCSA-N 1 2 333.413 1.736 20 30 EDEDLO COC(=O)N1CCN(c2ccc(Nc3ccc(C#N)cn3)c[nH+]2)CC1 ZINC000292873661 443866308 /nfs/dbraw/zinc/86/63/08/443866308.db2.gz UAQJJUWZVHNVBY-UHFFFAOYSA-N 1 2 338.371 1.980 20 30 EDEDLO CC[C@](C)(C#N)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000285232704 443905573 /nfs/dbraw/zinc/90/55/73/443905573.db2.gz VRDWVTOJLYMBLL-LJQANCHMSA-N 1 2 344.459 1.873 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000285381391 443963135 /nfs/dbraw/zinc/96/31/35/443963135.db2.gz ZVRIUSBJHFXVIX-UHFFFAOYSA-N 1 2 326.400 1.913 20 30 EDEDLO Cc1cc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cc(C#N)n1 ZINC000553044772 320935170 /nfs/dbraw/zinc/93/51/70/320935170.db2.gz JGLNKMHMFGAXLN-UHFFFAOYSA-N 1 2 327.432 1.618 20 30 EDEDLO CC(C)(C)n1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000299500227 444064004 /nfs/dbraw/zinc/06/40/04/444064004.db2.gz GFBNOVBKAXFUJU-UHFFFAOYSA-N 1 2 333.436 1.326 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000294520669 444120316 /nfs/dbraw/zinc/12/03/16/444120316.db2.gz IEOUMQGHQAROHR-ROUUACIJSA-N 1 2 344.455 1.774 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(C)C ZINC000282262226 444130092 /nfs/dbraw/zinc/13/00/92/444130092.db2.gz PGCUZLAWSSZLIE-GOSISDBHSA-N 1 2 329.444 1.976 20 30 EDEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000301298872 444161583 /nfs/dbraw/zinc/16/15/83/444161583.db2.gz ZHVMYRCWFROGIR-UHFFFAOYSA-N 1 2 341.459 1.770 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000296315929 444219572 /nfs/dbraw/zinc/21/95/72/444219572.db2.gz FVGHPVNTFVOXTR-UHFFFAOYSA-N 1 2 345.443 1.609 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000296315929 444219575 /nfs/dbraw/zinc/21/95/75/444219575.db2.gz FVGHPVNTFVOXTR-UHFFFAOYSA-N 1 2 345.443 1.609 20 30 EDEDLO Cc1ccc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)nc1C#N ZINC000302731163 444221728 /nfs/dbraw/zinc/22/17/28/444221728.db2.gz WDUKAHAOJIZFKX-UHFFFAOYSA-N 1 2 349.438 1.700 20 30 EDEDLO C#CC[C@H](Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1)C(N)=O ZINC000301822961 444192564 /nfs/dbraw/zinc/19/25/64/444192564.db2.gz KYPCODQFVXAUTO-ZDUSSCGKSA-N 1 2 325.328 1.649 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@H](O)C2)cc1C ZINC000295779552 444192730 /nfs/dbraw/zinc/19/27/30/444192730.db2.gz ZAIJWQRCAMKWTJ-QGZVFWFLSA-N 1 2 331.416 1.243 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@H](O)C2)cc1C ZINC000295779552 444192731 /nfs/dbraw/zinc/19/27/31/444192731.db2.gz ZAIJWQRCAMKWTJ-QGZVFWFLSA-N 1 2 331.416 1.243 20 30 EDEDLO CO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1(C)C ZINC000295883966 444194040 /nfs/dbraw/zinc/19/40/40/444194040.db2.gz GFWNVNCYELCBST-AWEZNQCLSA-N 1 2 337.445 1.474 20 30 EDEDLO CO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1(C)C ZINC000295883966 444194041 /nfs/dbraw/zinc/19/40/41/444194041.db2.gz GFWNVNCYELCBST-AWEZNQCLSA-N 1 2 337.445 1.474 20 30 EDEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000296006957 444198635 /nfs/dbraw/zinc/19/86/35/444198635.db2.gz NEZDRWCZXJWZNV-HZPDHXFCSA-N 1 2 343.427 1.700 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CC(F)F)nc[nH+]1 ZINC000330991872 444349243 /nfs/dbraw/zinc/34/92/43/444349243.db2.gz UHZGEIOJWUNMSQ-JTQLQIEISA-N 1 2 328.367 1.598 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CC(F)F)[nH+]cn1 ZINC000330991872 444349247 /nfs/dbraw/zinc/34/92/47/444349247.db2.gz UHZGEIOJWUNMSQ-JTQLQIEISA-N 1 2 328.367 1.598 20 30 EDEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCc2n[nH]nc2C1 ZINC000328793760 444354297 /nfs/dbraw/zinc/35/42/97/444354297.db2.gz SCHKQHAQQRAPJX-ZDUSSCGKSA-N 1 2 342.403 1.298 20 30 EDEDLO CC[C@H](C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000328802524 444357877 /nfs/dbraw/zinc/35/78/77/444357877.db2.gz ZZQCYKMZHFPMOF-MGPQQGTHSA-N 1 2 339.436 1.368 20 30 EDEDLO CC[C@H](C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O)[N@H+]1CCO[C@H](CC)C1 ZINC000328802524 444357881 /nfs/dbraw/zinc/35/78/81/444357881.db2.gz ZZQCYKMZHFPMOF-MGPQQGTHSA-N 1 2 339.436 1.368 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000340224752 444371942 /nfs/dbraw/zinc/37/19/42/444371942.db2.gz CEPAJLDPSHRZHE-UHFFFAOYSA-N 1 2 332.448 1.969 20 30 EDEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2COCCN2C)cc1 ZINC000328939355 444413322 /nfs/dbraw/zinc/41/33/22/444413322.db2.gz HDBMJDJMDSSPLQ-ZWKOTPCHSA-N 1 2 347.459 1.655 20 30 EDEDLO Cc1c(CC(=O)NC[C@@H]2C[N@H+](C)CCO2)nnn1-c1ccc(C)cc1 ZINC000328662511 444418988 /nfs/dbraw/zinc/41/89/88/444418988.db2.gz APUUFESPZYLXIV-MRXNPFEDSA-N 1 2 343.431 1.714 20 30 EDEDLO Cc1c(CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)nnn1-c1ccc(C)cc1 ZINC000328662511 444418993 /nfs/dbraw/zinc/41/89/93/444418993.db2.gz APUUFESPZYLXIV-MRXNPFEDSA-N 1 2 343.431 1.714 20 30 EDEDLO Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2=O)cn1 ZINC000328956164 444422317 /nfs/dbraw/zinc/42/23/17/444422317.db2.gz NNGIGQHGAFKEJX-DOMZBBRYSA-N 1 2 342.403 1.331 20 30 EDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000328602054 444390213 /nfs/dbraw/zinc/39/02/13/444390213.db2.gz GOBKRFGNQSBLGM-GOEBONIOSA-N 1 2 348.447 1.944 20 30 EDEDLO CO[C@H]1C[C@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)N(C(C)=O)C1 ZINC000328613030 444394277 /nfs/dbraw/zinc/39/42/77/444394277.db2.gz PXWHUMWKDMKKGK-JKSUJKDBSA-N 1 2 346.431 1.643 20 30 EDEDLO Cc1cc(N2CCC[C@@H](N3CC[NH+](CCCC#N)CC3)C2=O)n(C)n1 ZINC000331396597 444469921 /nfs/dbraw/zinc/46/99/21/444469921.db2.gz CFHWSNHPGFHKSS-MRXNPFEDSA-N 1 2 344.463 1.145 20 30 EDEDLO O=C(N[C@H]1CCCN(c2cccnn2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329100872 444472272 /nfs/dbraw/zinc/47/22/72/444472272.db2.gz MSLHZVCYXKXJLA-HNNXBMFYSA-N 1 2 345.447 1.657 20 30 EDEDLO C[C@H](O)CC(C)(C)CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000331174155 444430658 /nfs/dbraw/zinc/43/06/58/444430658.db2.gz DUUDZKDFAOGKNH-KBPBESRZSA-N 1 2 337.468 1.420 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2nccn2-c2ccccc2)C1 ZINC000328739136 444445489 /nfs/dbraw/zinc/44/54/89/444445489.db2.gz LCCVIITWWYKRPQ-OAHLLOKOSA-N 1 2 328.420 1.444 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2nccn2-c2ccccc2)C1 ZINC000328739136 444445494 /nfs/dbraw/zinc/44/54/94/444445494.db2.gz LCCVIITWWYKRPQ-OAHLLOKOSA-N 1 2 328.420 1.444 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CSCN1C(=O)C1CCC1 ZINC000329167610 444489693 /nfs/dbraw/zinc/48/96/93/444489693.db2.gz INRDEUFMTAVMGW-TZMCWYRMSA-N 1 2 341.477 1.365 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CSCN1C(=O)C1CCC1 ZINC000329167610 444489695 /nfs/dbraw/zinc/48/96/95/444489695.db2.gz INRDEUFMTAVMGW-TZMCWYRMSA-N 1 2 341.477 1.365 20 30 EDEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000332115460 444501180 /nfs/dbraw/zinc/50/11/80/444501180.db2.gz BHNMFVRSTVFUCJ-UHFFFAOYSA-N 1 2 343.366 1.366 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCO[C@]2(CCCOC2)C1 ZINC000329240441 444509844 /nfs/dbraw/zinc/50/98/44/444509844.db2.gz QYGNRIYOUSUYAB-QGZVFWFLSA-N 1 2 334.420 1.515 20 30 EDEDLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329240028 444509919 /nfs/dbraw/zinc/50/99/19/444509919.db2.gz QSNGZPJSJQOINO-BNOWGMLFSA-N 1 2 349.435 1.756 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000332345819 444510725 /nfs/dbraw/zinc/51/07/25/444510725.db2.gz SZNVMNKPTNYWOL-CQSZACIVSA-N 1 2 341.477 1.228 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000332345819 444510728 /nfs/dbraw/zinc/51/07/28/444510728.db2.gz SZNVMNKPTNYWOL-CQSZACIVSA-N 1 2 341.477 1.228 20 30 EDEDLO Cc1cc(NC(=O)Nc2ccccc2C[NH+]2CCOCC2)nn1C ZINC000329310977 444530849 /nfs/dbraw/zinc/53/08/49/444530849.db2.gz RAHBHENCJHZUQJ-UHFFFAOYSA-N 1 2 329.404 2.218 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000329310465 444530933 /nfs/dbraw/zinc/53/09/33/444530933.db2.gz ZLAUEWJOHLIZIV-IJEWVQPXSA-N 1 2 347.463 1.507 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1COc2ccccc21 ZINC000329316956 444532895 /nfs/dbraw/zinc/53/28/95/444532895.db2.gz FECFCLZNFNBYNH-OAGGEKHMSA-N 1 2 345.443 1.872 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)C1CC1 ZINC000332795868 444556280 /nfs/dbraw/zinc/55/62/80/444556280.db2.gz SBRQSROIHWTFBT-SJCJKPOMSA-N 1 2 329.404 1.545 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)C1CC1 ZINC000332795868 444556282 /nfs/dbraw/zinc/55/62/82/444556282.db2.gz SBRQSROIHWTFBT-SJCJKPOMSA-N 1 2 329.404 1.545 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)CCO1 ZINC000329401578 444564540 /nfs/dbraw/zinc/56/45/40/444564540.db2.gz BLRNUKHINNLXMS-MFKMUULPSA-N 1 2 342.359 1.622 20 30 EDEDLO C[C@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)[C@H]1CCCOC1 ZINC000329477540 444596367 /nfs/dbraw/zinc/59/63/67/444596367.db2.gz BYMQNOIQMCSPCO-HOCLYGCPSA-N 1 2 335.452 1.267 20 30 EDEDLO O=C(C1CC1)N1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329617104 444650391 /nfs/dbraw/zinc/65/03/91/444650391.db2.gz QAMVRUIHISVHSM-CYBMUJFWSA-N 1 2 331.420 1.125 20 30 EDEDLO O=C(C1CC1)N1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329617104 444650392 /nfs/dbraw/zinc/65/03/92/444650392.db2.gz QAMVRUIHISVHSM-CYBMUJFWSA-N 1 2 331.420 1.125 20 30 EDEDLO C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@H](C)S1(=O)=O ZINC000329625144 444653741 /nfs/dbraw/zinc/65/37/41/444653741.db2.gz SQDWGJUPEXTMOA-XQQFMLRXSA-N 1 2 340.449 1.182 20 30 EDEDLO Cc1cccc2c1OC[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C2 ZINC000329601393 444644516 /nfs/dbraw/zinc/64/45/16/444644516.db2.gz KOCPPQSDMHPXBJ-CVEARBPZSA-N 1 2 332.448 1.048 20 30 EDEDLO Cc1cccc2c1OC[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C2 ZINC000329601393 444644519 /nfs/dbraw/zinc/64/45/19/444644519.db2.gz KOCPPQSDMHPXBJ-CVEARBPZSA-N 1 2 332.448 1.048 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)C[C@@H]21 ZINC000329773394 444712237 /nfs/dbraw/zinc/71/22/37/444712237.db2.gz HZRYDSXKAPKFTD-QWHCGFSZSA-N 1 2 338.795 1.784 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)C[C@@H]21 ZINC000329773394 444712243 /nfs/dbraw/zinc/71/22/43/444712243.db2.gz HZRYDSXKAPKFTD-QWHCGFSZSA-N 1 2 338.795 1.784 20 30 EDEDLO CCC1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCOCC1 ZINC000329798320 444720725 /nfs/dbraw/zinc/72/07/25/444720725.db2.gz GGJHMTJIPSDUDQ-MRXNPFEDSA-N 1 2 339.480 1.904 20 30 EDEDLO Cn1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c([C@H]2CCOC2)n1 ZINC000329839552 444736357 /nfs/dbraw/zinc/73/63/57/444736357.db2.gz JFVJFAOJSNPMPY-UONOGXRCSA-N 1 2 341.415 1.903 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4c(c3)OCCCO4)C[C@H]21 ZINC000329898105 444757598 /nfs/dbraw/zinc/75/75/98/444757598.db2.gz DNMSUOSLDORSJW-RHSMWYFYSA-N 1 2 347.415 1.277 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4c(c3)OCCCO4)C[C@H]21 ZINC000329898105 444757602 /nfs/dbraw/zinc/75/76/02/444757602.db2.gz DNMSUOSLDORSJW-RHSMWYFYSA-N 1 2 347.415 1.277 20 30 EDEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1)C(=O)N1CCCCC1 ZINC000329906299 444762972 /nfs/dbraw/zinc/76/29/72/444762972.db2.gz SBGWVOIZASIMBT-FMKPAKJESA-N 1 2 337.464 1.843 20 30 EDEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1)C(=O)N1CCCCC1 ZINC000329906299 444762977 /nfs/dbraw/zinc/76/29/77/444762977.db2.gz SBGWVOIZASIMBT-FMKPAKJESA-N 1 2 337.464 1.843 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@H]21 ZINC000329922392 444769801 /nfs/dbraw/zinc/76/98/01/444769801.db2.gz GJKWKNOXIQDZOC-CHWSQXEVSA-N 1 2 336.461 1.972 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@H]21 ZINC000329922392 444769804 /nfs/dbraw/zinc/76/98/04/444769804.db2.gz GJKWKNOXIQDZOC-CHWSQXEVSA-N 1 2 336.461 1.972 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(-n4cccn4)c3)C[C@@H]21 ZINC000329925445 444771148 /nfs/dbraw/zinc/77/11/48/444771148.db2.gz JUNLEKJNPJWUAB-HOTGVXAUSA-N 1 2 327.388 1.433 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(-n4cccn4)c3)C[C@@H]21 ZINC000329925445 444771151 /nfs/dbraw/zinc/77/11/51/444771151.db2.gz JUNLEKJNPJWUAB-HOTGVXAUSA-N 1 2 327.388 1.433 20 30 EDEDLO COc1cc(OC)c(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1F ZINC000329931907 444774786 /nfs/dbraw/zinc/77/47/86/444774786.db2.gz PFULPMNNXHZZQK-DOMZBBRYSA-N 1 2 339.367 1.403 20 30 EDEDLO COc1cc(OC)c(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1F ZINC000329931907 444774787 /nfs/dbraw/zinc/77/47/87/444774787.db2.gz PFULPMNNXHZZQK-DOMZBBRYSA-N 1 2 339.367 1.403 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329944758 444781152 /nfs/dbraw/zinc/78/11/52/444781152.db2.gz FJVBMOPJGWYEPY-NUTKFTJISA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329944758 444781156 /nfs/dbraw/zinc/78/11/56/444781156.db2.gz FJVBMOPJGWYEPY-NUTKFTJISA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000329944758 444781160 /nfs/dbraw/zinc/78/11/60/444781160.db2.gz FJVBMOPJGWYEPY-NUTKFTJISA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000329944758 444781162 /nfs/dbraw/zinc/78/11/62/444781162.db2.gz FJVBMOPJGWYEPY-NUTKFTJISA-N 1 2 349.431 1.695 20 30 EDEDLO CCN1CCN(C(=O)NCc2ncccc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330005796 444808559 /nfs/dbraw/zinc/80/85/59/444808559.db2.gz CGCUGFDYEKYLPD-HNNXBMFYSA-N 1 2 328.420 1.906 20 30 EDEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000329956060 444785440 /nfs/dbraw/zinc/78/54/40/444785440.db2.gz OSLFOFMEGWTXAA-UGQVUOCMSA-N 1 2 330.432 1.907 20 30 EDEDLO [O-]C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329956060 444785447 /nfs/dbraw/zinc/78/54/47/444785447.db2.gz OSLFOFMEGWTXAA-UGQVUOCMSA-N 1 2 330.432 1.907 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC2(C)CC2)CC1 ZINC000330044811 444823234 /nfs/dbraw/zinc/82/32/34/444823234.db2.gz FYBZDHYTIOIZLR-OAHLLOKOSA-N 1 2 336.480 1.719 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@]2(CCOC2)O1 ZINC000330076658 444836027 /nfs/dbraw/zinc/83/60/27/444836027.db2.gz MLWRWIWAWNZSIL-FZKQIMNGSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@]2(CCOC2)O1 ZINC000330076658 444836029 /nfs/dbraw/zinc/83/60/29/444836029.db2.gz MLWRWIWAWNZSIL-FZKQIMNGSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@]2(CCOC2)O1 ZINC000330076660 444836057 /nfs/dbraw/zinc/83/60/57/444836057.db2.gz MLWRWIWAWNZSIL-UGSOOPFHSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@]2(CCOC2)O1 ZINC000330076660 444836059 /nfs/dbraw/zinc/83/60/59/444836059.db2.gz MLWRWIWAWNZSIL-UGSOOPFHSA-N 1 2 340.383 1.988 20 30 EDEDLO Cc1cc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc(C#N)n1 ZINC000341448690 444837218 /nfs/dbraw/zinc/83/72/18/444837218.db2.gz CAFQBNNWOLCFGD-UHFFFAOYSA-N 1 2 341.459 1.786 20 30 EDEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330080750 444837891 /nfs/dbraw/zinc/83/78/91/444837891.db2.gz JMWMERQHENBQHJ-PMPSAXMXSA-N 1 2 326.485 1.330 20 30 EDEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330080750 444837894 /nfs/dbraw/zinc/83/78/94/444837894.db2.gz JMWMERQHENBQHJ-PMPSAXMXSA-N 1 2 326.485 1.330 20 30 EDEDLO CS(=O)(=O)C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000330094979 444842195 /nfs/dbraw/zinc/84/21/95/444842195.db2.gz URPRERVZCQDBHQ-CYBMUJFWSA-N 1 2 330.450 1.164 20 30 EDEDLO CS(=O)(=O)C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000330094979 444842197 /nfs/dbraw/zinc/84/21/97/444842197.db2.gz URPRERVZCQDBHQ-CYBMUJFWSA-N 1 2 330.450 1.164 20 30 EDEDLO C=CCCOCCCCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000342858263 444898241 /nfs/dbraw/zinc/89/82/41/444898241.db2.gz XRTSNVCSBPLNKE-UHFFFAOYSA-N 1 2 334.464 1.827 20 30 EDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000338880720 444910323 /nfs/dbraw/zinc/91/03/23/444910323.db2.gz PHWKUCJRKSPNEK-UHFFFAOYSA-N 1 2 334.416 1.664 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2sc(C)nc2C)C1 ZINC000330601142 445055526 /nfs/dbraw/zinc/05/55/26/445055526.db2.gz IAOMNJXBNBUXOU-GFCCVEGCSA-N 1 2 325.434 1.950 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2sc(C)nc2C)C1 ZINC000330601142 445055529 /nfs/dbraw/zinc/05/55/29/445055529.db2.gz IAOMNJXBNBUXOU-GFCCVEGCSA-N 1 2 325.434 1.950 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000339155625 445062345 /nfs/dbraw/zinc/06/23/45/445062345.db2.gz OIWBKJUBUZPKHL-UHFFFAOYSA-N 1 2 331.353 1.550 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000330643397 445076055 /nfs/dbraw/zinc/07/60/55/445076055.db2.gz DYDBUIMKYIMOHX-BEFAXECRSA-N 1 2 344.459 1.957 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1)OCC ZINC000339431944 445139017 /nfs/dbraw/zinc/13/90/17/445139017.db2.gz YNVKCCIBDSJXKE-MRXNPFEDSA-N 1 2 339.480 1.370 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339780212 445168423 /nfs/dbraw/zinc/16/84/23/445168423.db2.gz QGRHYGXHCHPXLC-COXVUDFISA-N 1 2 333.407 1.942 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339780212 445168428 /nfs/dbraw/zinc/16/84/28/445168428.db2.gz QGRHYGXHCHPXLC-COXVUDFISA-N 1 2 333.407 1.942 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCSC[C@@H]2CO)c(C)c1 ZINC000330862656 445171665 /nfs/dbraw/zinc/17/16/65/445171665.db2.gz XMFXQYCJEBPJDQ-ZDUSSCGKSA-N 1 2 337.445 1.375 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCSC[C@@H]2CO)c(C)c1 ZINC000330862656 445171668 /nfs/dbraw/zinc/17/16/68/445171668.db2.gz XMFXQYCJEBPJDQ-ZDUSSCGKSA-N 1 2 337.445 1.375 20 30 EDEDLO C[C@]([NH2+]CC(=O)NCc1cccc(C#N)c1)(C(N)=O)c1ccccc1 ZINC000337640421 445182351 /nfs/dbraw/zinc/18/23/51/445182351.db2.gz FIQISCLDCRJWBU-LJQANCHMSA-N 1 2 336.395 1.165 20 30 EDEDLO CCN(CCC#N)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000345424921 445186196 /nfs/dbraw/zinc/18/61/96/445186196.db2.gz HFWYCGMOKQMOAJ-WMLDXEAASA-N 1 2 343.431 1.624 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2nc(C)c(C)nc2C)C1 ZINC000330898202 445187056 /nfs/dbraw/zinc/18/70/56/445187056.db2.gz UURFVXPEVFPZNS-CQSZACIVSA-N 1 2 334.420 1.591 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2nc(C)c(C)nc2C)C1 ZINC000330898202 445187058 /nfs/dbraw/zinc/18/70/58/445187058.db2.gz UURFVXPEVFPZNS-CQSZACIVSA-N 1 2 334.420 1.591 20 30 EDEDLO C[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000339700677 445161503 /nfs/dbraw/zinc/16/15/03/445161503.db2.gz DORUMDYFGZGOAZ-WMZOPIPTSA-N 1 2 342.443 1.116 20 30 EDEDLO Cc1nn(C)c(C)c1[C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346471923 445215958 /nfs/dbraw/zinc/21/59/58/445215958.db2.gz BNMOIODTABSRFB-AWEZNQCLSA-N 1 2 347.463 1.215 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346496378 445217077 /nfs/dbraw/zinc/21/70/77/445217077.db2.gz ULWRRLDQMXAYEX-LSDHHAIUSA-N 1 2 347.484 1.958 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346496378 445217080 /nfs/dbraw/zinc/21/70/80/445217080.db2.gz ULWRRLDQMXAYEX-LSDHHAIUSA-N 1 2 347.484 1.958 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C#N)ccc1Cl ZINC000354522227 445278001 /nfs/dbraw/zinc/27/80/01/445278001.db2.gz SANROGVWRLTKME-ZDUSSCGKSA-N 1 2 332.747 1.449 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C#N)ccc1Cl ZINC000354522227 445278006 /nfs/dbraw/zinc/27/80/06/445278006.db2.gz SANROGVWRLTKME-ZDUSSCGKSA-N 1 2 332.747 1.449 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000354676734 445336449 /nfs/dbraw/zinc/33/64/49/445336449.db2.gz IEWMHPJINORZSH-UKRRQHHQSA-N 1 2 328.416 1.876 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000354676734 445336451 /nfs/dbraw/zinc/33/64/51/445336451.db2.gz IEWMHPJINORZSH-UKRRQHHQSA-N 1 2 328.416 1.876 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000354676737 445336504 /nfs/dbraw/zinc/33/65/04/445336504.db2.gz IEWMHPJINORZSH-ZFWWWQNUSA-N 1 2 328.416 1.876 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000354676737 445336506 /nfs/dbraw/zinc/33/65/06/445336506.db2.gz IEWMHPJINORZSH-ZFWWWQNUSA-N 1 2 328.416 1.876 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@H](F)C[C@H]2CNc2ccc(Cl)c(C#N)n2)cn1 ZINC000359658101 445360600 /nfs/dbraw/zinc/36/06/00/445360600.db2.gz BCDZLUMQGXLVTM-OLZOCXBDSA-N 1 2 348.813 2.365 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@H](F)C[C@H]2CNc2ccc(Cl)c(C#N)n2)cn1 ZINC000359658101 445360606 /nfs/dbraw/zinc/36/06/06/445360606.db2.gz BCDZLUMQGXLVTM-OLZOCXBDSA-N 1 2 348.813 2.365 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348772835 445372477 /nfs/dbraw/zinc/37/24/77/445372477.db2.gz IWWTWSCBEFMRES-CVEARBPZSA-N 1 2 349.500 1.668 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348772835 445372484 /nfs/dbraw/zinc/37/24/84/445372484.db2.gz IWWTWSCBEFMRES-CVEARBPZSA-N 1 2 349.500 1.668 20 30 EDEDLO CCCCN(CC)C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000362465108 445395296 /nfs/dbraw/zinc/39/52/96/445395296.db2.gz SEZYLFDSXAFWSX-OAHLLOKOSA-N 1 2 344.463 1.507 20 30 EDEDLO CCCCN(CC)C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000362465108 445395299 /nfs/dbraw/zinc/39/52/99/445395299.db2.gz SEZYLFDSXAFWSX-OAHLLOKOSA-N 1 2 344.463 1.507 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCCC1 ZINC000352863299 445560342 /nfs/dbraw/zinc/56/03/42/445560342.db2.gz UKUHTXMDBFSOGN-OAHLLOKOSA-N 1 2 341.477 1.197 20 30 EDEDLO C=CC[N@@H+](CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000357548102 445565715 /nfs/dbraw/zinc/56/57/15/445565715.db2.gz ABFVPTIHPUZKIU-HNNXBMFYSA-N 1 2 328.478 1.309 20 30 EDEDLO C=CC[N@H+](CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000357548102 445565720 /nfs/dbraw/zinc/56/57/20/445565720.db2.gz ABFVPTIHPUZKIU-HNNXBMFYSA-N 1 2 328.478 1.309 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C(F)(F)F ZINC000353152233 445577173 /nfs/dbraw/zinc/57/71/73/445577173.db2.gz ICLOOGPRZRINRQ-NXEZZACHSA-N 1 2 335.326 1.078 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C(F)(F)F ZINC000353152233 445577176 /nfs/dbraw/zinc/57/71/76/445577176.db2.gz ICLOOGPRZRINRQ-NXEZZACHSA-N 1 2 335.326 1.078 20 30 EDEDLO N#Cc1ccc(OC2CC[NH+](Cc3cc(=O)n4[nH]ccc4n3)CC2)cc1 ZINC000363005154 445646199 /nfs/dbraw/zinc/64/61/99/445646199.db2.gz UXRSTGKWLDZAGR-UHFFFAOYSA-N 1 2 349.394 1.938 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)NCC(C)(C)C#N)[C@@H]1c1c[nH+]cn1C ZINC000360257383 445660691 /nfs/dbraw/zinc/66/06/91/445660691.db2.gz PZNNXASHULBWKB-CZUORRHYSA-N 1 2 345.447 1.776 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000363197396 445717108 /nfs/dbraw/zinc/71/71/08/445717108.db2.gz MQIDBOHDMCDPNV-UKRRQHHQSA-N 1 2 341.415 1.375 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000363197396 445717111 /nfs/dbraw/zinc/71/71/11/445717111.db2.gz MQIDBOHDMCDPNV-UKRRQHHQSA-N 1 2 341.415 1.375 20 30 EDEDLO Cn1ccnc1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356399831 445772620 /nfs/dbraw/zinc/77/26/20/445772620.db2.gz UHFHXNVMHAJTPL-GXTWGEPZSA-N 1 2 348.451 1.793 20 30 EDEDLO Cn1ccnc1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356399831 445772626 /nfs/dbraw/zinc/77/26/26/445772626.db2.gz UHFHXNVMHAJTPL-GXTWGEPZSA-N 1 2 348.451 1.793 20 30 EDEDLO CC#CCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000361292110 445759124 /nfs/dbraw/zinc/75/91/24/445759124.db2.gz XZPFILHLASNCCD-GASCZTMLSA-N 1 2 330.432 1.908 20 30 EDEDLO CCc1nnc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000391951108 325737651 /nfs/dbraw/zinc/73/76/51/325737651.db2.gz HSGNPDKMIMFUNT-UHFFFAOYSA-N 1 2 336.442 1.536 20 30 EDEDLO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)cc1 ZINC000364715721 445948728 /nfs/dbraw/zinc/94/87/28/445948728.db2.gz TWGCJYYRSPLAAP-OAHLLOKOSA-N 1 2 340.383 1.908 20 30 EDEDLO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)cc1 ZINC000364715721 445948734 /nfs/dbraw/zinc/94/87/34/445948734.db2.gz TWGCJYYRSPLAAP-OAHLLOKOSA-N 1 2 340.383 1.908 20 30 EDEDLO N#Cc1cccc(CCNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000366151244 446044533 /nfs/dbraw/zinc/04/45/33/446044533.db2.gz IOEVJHNPZHGDDF-QGZVFWFLSA-N 1 2 328.416 1.263 20 30 EDEDLO N#Cc1cccc(CCNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000366151244 446044541 /nfs/dbraw/zinc/04/45/41/446044541.db2.gz IOEVJHNPZHGDDF-QGZVFWFLSA-N 1 2 328.416 1.263 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000365136207 446046997 /nfs/dbraw/zinc/04/69/97/446046997.db2.gz JQUSANKJHBSRFL-SJLPKXTDSA-N 1 2 349.475 1.123 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000365136207 446047002 /nfs/dbraw/zinc/04/70/02/446047002.db2.gz JQUSANKJHBSRFL-SJLPKXTDSA-N 1 2 349.475 1.123 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CC12CCC2 ZINC000373178873 446078145 /nfs/dbraw/zinc/07/81/45/446078145.db2.gz IYNUUHIYSNRRTF-LBPRGKRZSA-N 1 2 333.413 1.833 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CC12CCC2 ZINC000373178873 446078148 /nfs/dbraw/zinc/07/81/48/446078148.db2.gz IYNUUHIYSNRRTF-LBPRGKRZSA-N 1 2 333.413 1.833 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000373272727 446137125 /nfs/dbraw/zinc/13/71/25/446137125.db2.gz UQNPUYRDWFAKNT-KZNAEPCWSA-N 1 2 335.492 1.454 20 30 EDEDLO C[C@@H]1C[C@]2(C[C@H]2C(=O)N(CCC#N)CC[NH+]2CCOCC2)CCO1 ZINC000373374921 446189055 /nfs/dbraw/zinc/18/90/55/446189055.db2.gz BPFZMXTXMKQFEG-RYRKJORJSA-N 1 2 335.448 1.266 20 30 EDEDLO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373411440 446206877 /nfs/dbraw/zinc/20/68/77/446206877.db2.gz GUOJSTWMHBPJDD-ZDUSSCGKSA-N 1 2 349.402 1.524 20 30 EDEDLO N#Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)cc1 ZINC000370297021 446220132 /nfs/dbraw/zinc/22/01/32/446220132.db2.gz FCUWOKLRNVRPMX-INIZCTEOSA-N 1 2 341.415 1.376 20 30 EDEDLO N#Cc1nc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cncnc2)ccc1Cl ZINC000365581140 446260951 /nfs/dbraw/zinc/26/09/51/446260951.db2.gz MQONKKYMCAOVPC-STQMWFEESA-N 1 2 346.797 2.421 20 30 EDEDLO N#Cc1nc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cncnc2)ccc1Cl ZINC000365581140 446260954 /nfs/dbraw/zinc/26/09/54/446260954.db2.gz MQONKKYMCAOVPC-STQMWFEESA-N 1 2 346.797 2.421 20 30 EDEDLO C[C@@H]1CN(C(=O)[C@]2(C#N)CCc3ccccc3C2)CC[N@@H+]1CCO ZINC000370444279 446281371 /nfs/dbraw/zinc/28/13/71/446281371.db2.gz JVUDLNZUAUXFLF-DNVCBOLYSA-N 1 2 327.428 1.210 20 30 EDEDLO C[C@@H]1CN(C(=O)[C@]2(C#N)CCc3ccccc3C2)CC[N@H+]1CCO ZINC000370444279 446281376 /nfs/dbraw/zinc/28/13/76/446281376.db2.gz JVUDLNZUAUXFLF-DNVCBOLYSA-N 1 2 327.428 1.210 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@]2(CCCOC2)O1 ZINC000373637924 446287385 /nfs/dbraw/zinc/28/73/85/446287385.db2.gz LKIQZDIBRJDGLC-KDOFPFPSSA-N 1 2 326.400 1.976 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@]2(CCCOC2)O1 ZINC000373637924 446287391 /nfs/dbraw/zinc/28/73/91/446287391.db2.gz LKIQZDIBRJDGLC-KDOFPFPSSA-N 1 2 326.400 1.976 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370546685 446327246 /nfs/dbraw/zinc/32/72/46/446327246.db2.gz MRFRVTJDGXWXEL-KBPBESRZSA-N 1 2 349.456 1.788 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370546685 446327250 /nfs/dbraw/zinc/32/72/50/446327250.db2.gz MRFRVTJDGXWXEL-KBPBESRZSA-N 1 2 349.456 1.788 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)NCC2(CC#N)CC2)C1 ZINC000370700210 446393397 /nfs/dbraw/zinc/39/33/97/446393397.db2.gz MQLQNWTVOQYFQP-CQSZACIVSA-N 1 2 328.420 1.386 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)NCC2(CC#N)CC2)C1 ZINC000370700210 446393399 /nfs/dbraw/zinc/39/33/99/446393399.db2.gz MQLQNWTVOQYFQP-CQSZACIVSA-N 1 2 328.420 1.386 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)C2(c3cccc(C#N)c3)CC2)CCO1 ZINC000435024564 446674130 /nfs/dbraw/zinc/67/41/30/446674130.db2.gz DUYAVKALLJNYQU-UHFFFAOYSA-N 1 2 327.428 1.817 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)C2(c3cccc(C#N)c3)CC2)CCO1 ZINC000435024564 446674135 /nfs/dbraw/zinc/67/41/35/446674135.db2.gz DUYAVKALLJNYQU-UHFFFAOYSA-N 1 2 327.428 1.817 20 30 EDEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC000420604533 446698584 /nfs/dbraw/zinc/69/85/84/446698584.db2.gz SGBZYQUPHZTGSS-GJZGRUSLSA-N 1 2 342.447 1.165 20 30 EDEDLO COCC(COC)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000411863702 446700333 /nfs/dbraw/zinc/70/03/33/446700333.db2.gz QVAVTQWKXIVONY-UHFFFAOYSA-N 1 2 333.432 1.216 20 30 EDEDLO C#CCOc1ccc(C[NH+]2CCN([C@H]3CCCCNC3=O)CC2)cc1 ZINC000371313107 446766588 /nfs/dbraw/zinc/76/65/88/446766588.db2.gz GEACXNGARNVABS-IBGZPJMESA-N 1 2 341.455 1.485 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C#N ZINC000439670339 446826398 /nfs/dbraw/zinc/82/63/98/446826398.db2.gz AUSXYCIVZLQBRW-JQWIXIFHSA-N 1 2 334.445 1.935 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N ZINC000439670339 446826403 /nfs/dbraw/zinc/82/64/03/446826403.db2.gz AUSXYCIVZLQBRW-JQWIXIFHSA-N 1 2 334.445 1.935 20 30 EDEDLO CN(C)c1ncc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000371465437 446873401 /nfs/dbraw/zinc/87/34/01/446873401.db2.gz DNXSTQDCDRBZGG-IFXJQAMLSA-N 1 2 348.410 1.388 20 30 EDEDLO CN(C)c1ncc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000371465437 446873410 /nfs/dbraw/zinc/87/34/10/446873410.db2.gz DNXSTQDCDRBZGG-IFXJQAMLSA-N 1 2 348.410 1.388 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000442572849 446908357 /nfs/dbraw/zinc/90/83/57/446908357.db2.gz BGHVREPDHBCYAY-KRWDZBQOSA-N 1 2 332.404 1.422 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368515554 446913915 /nfs/dbraw/zinc/91/39/15/446913915.db2.gz VHMFYVPBDVWIHR-CQSZACIVSA-N 1 2 341.415 1.339 20 30 EDEDLO C=CCOCCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000371637850 446940963 /nfs/dbraw/zinc/94/09/63/446940963.db2.gz MAWHSEAHENONID-UHFFFAOYSA-N 1 2 338.477 1.871 20 30 EDEDLO C=CCOCCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000371637850 446940969 /nfs/dbraw/zinc/94/09/69/446940969.db2.gz MAWHSEAHENONID-UHFFFAOYSA-N 1 2 338.477 1.871 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000368661035 447012995 /nfs/dbraw/zinc/01/29/95/447012995.db2.gz DQICGNAVXGVADX-AWEZNQCLSA-N 1 2 345.447 1.190 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000368661035 447013000 /nfs/dbraw/zinc/01/30/00/447013000.db2.gz DQICGNAVXGVADX-AWEZNQCLSA-N 1 2 345.447 1.190 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)Cc2ccccc21 ZINC000372175844 447021890 /nfs/dbraw/zinc/02/18/90/447021890.db2.gz MSOYCBDMMBWHDQ-WMLDXEAASA-N 1 2 343.427 1.909 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)Cc2ccccc21 ZINC000372175844 447021892 /nfs/dbraw/zinc/02/18/92/447021892.db2.gz MSOYCBDMMBWHDQ-WMLDXEAASA-N 1 2 343.427 1.909 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)c1 ZINC000372345371 447043651 /nfs/dbraw/zinc/04/36/51/447043651.db2.gz JYMOOXWQXYVUKZ-HNNXBMFYSA-N 1 2 327.344 1.736 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)c1 ZINC000372345371 447043657 /nfs/dbraw/zinc/04/36/57/447043657.db2.gz JYMOOXWQXYVUKZ-HNNXBMFYSA-N 1 2 327.344 1.736 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000368788228 447106876 /nfs/dbraw/zinc/10/68/76/447106876.db2.gz MZZMLHVUYSBLDM-UHFFFAOYSA-N 1 2 344.459 1.654 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccccn2)CC1 ZINC000368788228 447106883 /nfs/dbraw/zinc/10/68/83/447106883.db2.gz MZZMLHVUYSBLDM-UHFFFAOYSA-N 1 2 344.459 1.654 20 30 EDEDLO C=CCn1cc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)nn1 ZINC000425397900 447144893 /nfs/dbraw/zinc/14/48/93/447144893.db2.gz SMUIVYZGYXWYPE-UHFFFAOYSA-N 1 2 329.408 1.039 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000372661651 447211491 /nfs/dbraw/zinc/21/14/91/447211491.db2.gz YDYLJGSLUJLIEB-HUUCEWRRSA-N 1 2 331.372 1.149 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000372661651 447211498 /nfs/dbraw/zinc/21/14/98/447211498.db2.gz YDYLJGSLUJLIEB-HUUCEWRRSA-N 1 2 331.372 1.149 20 30 EDEDLO C[C@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000455791742 447230252 /nfs/dbraw/zinc/23/02/52/447230252.db2.gz QTBUWXZZEZDONE-QWRGUYRKSA-N 1 2 337.811 1.837 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010102 447262287 /nfs/dbraw/zinc/26/22/87/447262287.db2.gz NJEVJCVPHZWADN-BBRMVZONSA-N 1 2 348.407 1.483 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010102 447262292 /nfs/dbraw/zinc/26/22/92/447262292.db2.gz NJEVJCVPHZWADN-BBRMVZONSA-N 1 2 348.407 1.483 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000377646466 447268620 /nfs/dbraw/zinc/26/86/20/447268620.db2.gz DKPSMWRVSZYNFN-JSGCOSHPSA-N 1 2 334.217 1.889 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000377646466 447268625 /nfs/dbraw/zinc/26/86/25/447268625.db2.gz DKPSMWRVSZYNFN-JSGCOSHPSA-N 1 2 334.217 1.889 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@@](C)(c2ccc(F)cc2)C1=O ZINC000414127855 447277100 /nfs/dbraw/zinc/27/71/00/447277100.db2.gz QMFPVRYZUARSQK-YJBOKZPZSA-N 1 2 347.390 1.049 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@@](C)(c2ccc(F)cc2)C1=O ZINC000414127855 447277108 /nfs/dbraw/zinc/27/71/08/447277108.db2.gz QMFPVRYZUARSQK-YJBOKZPZSA-N 1 2 347.390 1.049 20 30 EDEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000392850221 447527362 /nfs/dbraw/zinc/52/73/62/447527362.db2.gz QEBSFYLPKRZOIO-GJZGRUSLSA-N 1 2 327.388 1.264 20 30 EDEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000392850221 447527367 /nfs/dbraw/zinc/52/73/67/447527367.db2.gz QEBSFYLPKRZOIO-GJZGRUSLSA-N 1 2 327.388 1.264 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000416374719 447584778 /nfs/dbraw/zinc/58/47/78/447584778.db2.gz NNELLWRWPSLKOK-GWCFXTLKSA-N 1 2 338.820 1.994 20 30 EDEDLO Cn1cc(Cl)c(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000393313190 447528727 /nfs/dbraw/zinc/52/87/27/447528727.db2.gz BEEARDVILUMMFI-UHFFFAOYSA-N 1 2 338.820 1.509 20 30 EDEDLO C=CC(C)(C)CNC(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000458992306 447531776 /nfs/dbraw/zinc/53/17/76/447531776.db2.gz VTTNOPOPFDGTJF-CYBMUJFWSA-N 1 2 332.452 1.487 20 30 EDEDLO C=CC(C)(C)CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000458992306 447531779 /nfs/dbraw/zinc/53/17/79/447531779.db2.gz VTTNOPOPFDGTJF-CYBMUJFWSA-N 1 2 332.452 1.487 20 30 EDEDLO CC(C)(CC#N)CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000457651160 447610348 /nfs/dbraw/zinc/61/03/48/447610348.db2.gz LWTKFKXRIVNPBC-UHFFFAOYSA-N 1 2 331.420 1.657 20 30 EDEDLO CCCn1cc(C[N@@H+]2CCCN(S(=O)(=O)[C@@H](C)C#N)CC2)cn1 ZINC000416464646 447610590 /nfs/dbraw/zinc/61/05/90/447610590.db2.gz XMQCDAIDVVXBHI-AWEZNQCLSA-N 1 2 339.465 1.043 20 30 EDEDLO CCCn1cc(C[N@H+]2CCCN(S(=O)(=O)[C@@H](C)C#N)CC2)cn1 ZINC000416464646 447610594 /nfs/dbraw/zinc/61/05/94/447610594.db2.gz XMQCDAIDVVXBHI-AWEZNQCLSA-N 1 2 339.465 1.043 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)C#CC(C)(C)C ZINC000495873383 447614486 /nfs/dbraw/zinc/61/44/86/447614486.db2.gz JIFBKSMDSYVKEC-AWEZNQCLSA-N 1 2 337.464 1.703 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)C#CC(C)(C)C ZINC000495873383 447614491 /nfs/dbraw/zinc/61/44/91/447614491.db2.gz JIFBKSMDSYVKEC-AWEZNQCLSA-N 1 2 337.464 1.703 20 30 EDEDLO COCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1c(C)nn(C)c1C ZINC000459564599 447707484 /nfs/dbraw/zinc/70/74/84/447707484.db2.gz ILCVRANNNBAQRI-SFHVURJKSA-N 1 2 347.463 1.294 20 30 EDEDLO COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1c(C)nn(C)c1C ZINC000459564599 447707491 /nfs/dbraw/zinc/70/74/91/447707491.db2.gz ILCVRANNNBAQRI-SFHVURJKSA-N 1 2 347.463 1.294 20 30 EDEDLO C=CC[N@@H+](CCC#N)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000428856082 447718483 /nfs/dbraw/zinc/71/84/83/447718483.db2.gz JULPIWUXAHZZEH-UHFFFAOYSA-N 1 2 336.417 1.064 20 30 EDEDLO C=CC[N@H+](CCC#N)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000428856082 447718489 /nfs/dbraw/zinc/71/84/89/447718489.db2.gz JULPIWUXAHZZEH-UHFFFAOYSA-N 1 2 336.417 1.064 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000451645023 447742977 /nfs/dbraw/zinc/74/29/77/447742977.db2.gz XQWOWEXDNOKKEC-CQSZACIVSA-N 1 2 331.416 1.898 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000451645023 447742980 /nfs/dbraw/zinc/74/29/80/447742980.db2.gz XQWOWEXDNOKKEC-CQSZACIVSA-N 1 2 331.416 1.898 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000451689216 447747130 /nfs/dbraw/zinc/74/71/30/447747130.db2.gz LJNLQRLHFUYFIT-LBPRGKRZSA-N 1 2 325.438 1.283 20 30 EDEDLO NC(=O)C[C@H]1COCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000452092273 447814851 /nfs/dbraw/zinc/81/48/51/447814851.db2.gz WNYKCMGJYRXJDY-AWEZNQCLSA-N 1 2 326.318 1.633 20 30 EDEDLO NC(=O)C[C@H]1COCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000452092273 447814853 /nfs/dbraw/zinc/81/48/53/447814853.db2.gz WNYKCMGJYRXJDY-AWEZNQCLSA-N 1 2 326.318 1.633 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876049 447770664 /nfs/dbraw/zinc/77/06/64/447770664.db2.gz XLBBHINCMJDGFU-CYBMUJFWSA-N 1 2 334.386 1.565 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876049 447770667 /nfs/dbraw/zinc/77/06/67/447770667.db2.gz XLBBHINCMJDGFU-CYBMUJFWSA-N 1 2 334.386 1.565 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)C(C)C ZINC000490997498 447913673 /nfs/dbraw/zinc/91/36/73/447913673.db2.gz SYCDVBPBYAIIKA-IAGOWNOFSA-N 1 2 348.491 1.372 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CCC(C)C)n2C[C@@H]2CCCO2)CC1 ZINC000491165334 447945091 /nfs/dbraw/zinc/94/50/91/447945091.db2.gz KCFZJQFGZTZWCH-KRWDZBQOSA-N 1 2 345.491 1.801 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)CC1 ZINC000491167304 447946500 /nfs/dbraw/zinc/94/65/00/447946500.db2.gz XGBBMMLXNAQJFO-UHFFFAOYSA-N 1 2 339.399 1.769 20 30 EDEDLO C=C(Cl)CNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496811361 447931823 /nfs/dbraw/zinc/93/18/23/447931823.db2.gz UBSOMZIPASZSCP-LBPRGKRZSA-N 1 2 346.859 1.589 20 30 EDEDLO C=C(Cl)CNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496811361 447931828 /nfs/dbraw/zinc/93/18/28/447931828.db2.gz UBSOMZIPASZSCP-LBPRGKRZSA-N 1 2 346.859 1.589 20 30 EDEDLO CC1CC(C#N)(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)C1 ZINC000576165538 447988730 /nfs/dbraw/zinc/98/87/30/447988730.db2.gz JRORBUZVDBMAGY-UHFFFAOYSA-N 1 2 326.404 1.585 20 30 EDEDLO Cc1cc(NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C#N)c[nH+]1 ZINC000496878193 447995583 /nfs/dbraw/zinc/99/55/83/447995583.db2.gz YCUMTHCMZGOWHV-AWEZNQCLSA-N 1 2 332.404 1.731 20 30 EDEDLO C#C[C@H](CC)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000491525856 448054276 /nfs/dbraw/zinc/05/42/76/448054276.db2.gz VWRGNLOLQRQYIO-IIAWOOMASA-N 1 2 330.432 1.906 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cnn(CCC)c2C2CC2)CC1 ZINC000491659513 448075820 /nfs/dbraw/zinc/07/58/20/448075820.db2.gz IMAFLUPTOHFIJZ-UHFFFAOYSA-N 1 2 329.448 1.360 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C(=O)CC)cc2F)CC1 ZINC000491738222 448094875 /nfs/dbraw/zinc/09/48/75/448094875.db2.gz OUKSOKHJVUMBRQ-UHFFFAOYSA-N 1 2 332.375 1.575 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)n3cc(C)ccc3n2)C1=O ZINC000531694672 448129027 /nfs/dbraw/zinc/12/90/27/448129027.db2.gz FAGOVPHZOILIKV-OAHLLOKOSA-N 1 2 326.400 1.222 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(C)ccc3n2)C1=O ZINC000531694672 448129030 /nfs/dbraw/zinc/12/90/30/448129030.db2.gz FAGOVPHZOILIKV-OAHLLOKOSA-N 1 2 326.400 1.222 20 30 EDEDLO C=CCCC1(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)CC1 ZINC000556756026 448151024 /nfs/dbraw/zinc/15/10/24/448151024.db2.gz YFZIKCUNMIHUNW-DZGCQCFKSA-N 1 2 330.432 1.802 20 30 EDEDLO CC1CC(C#N)(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000531812798 448151147 /nfs/dbraw/zinc/15/11/47/448151147.db2.gz FNPKVFCGYBWHCF-UHFFFAOYSA-N 1 2 332.448 1.083 20 30 EDEDLO CC1CC(C#N)(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000531812798 448151151 /nfs/dbraw/zinc/15/11/51/448151151.db2.gz FNPKVFCGYBWHCF-UHFFFAOYSA-N 1 2 332.448 1.083 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000562027762 448241995 /nfs/dbraw/zinc/24/19/95/448241995.db2.gz DAISYOJWSDHBLF-JKSUJKDBSA-N 1 2 337.464 1.171 20 30 EDEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000563627222 448310488 /nfs/dbraw/zinc/31/04/88/448310488.db2.gz ZJAHXVWFRFEOLF-MRXNPFEDSA-N 1 2 346.822 1.803 20 30 EDEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000582729085 448323964 /nfs/dbraw/zinc/32/39/64/448323964.db2.gz ARDLEJZHPIZLAX-UHFFFAOYSA-N 1 2 336.461 1.332 20 30 EDEDLO COc1ccccc1N1C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1=O ZINC000563220056 448291265 /nfs/dbraw/zinc/29/12/65/448291265.db2.gz FQYKAJRHBOCUSK-SCLBCKFNSA-N 1 2 344.415 1.008 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000577468775 448302694 /nfs/dbraw/zinc/30/26/94/448302694.db2.gz RYPDCUJIALGPGJ-UDTPNQRGSA-N 1 2 339.439 1.983 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CSc1ccc2c(c1)OCCO2 ZINC000565051377 448352914 /nfs/dbraw/zinc/35/29/14/448352914.db2.gz MNFGAUWLWJXPBI-INIZCTEOSA-N 1 2 335.429 1.510 20 30 EDEDLO COCCOc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(Cl)c1 ZINC000583028611 448407337 /nfs/dbraw/zinc/40/73/37/448407337.db2.gz SJKRCNCHTYBAPK-INIZCTEOSA-N 1 2 339.823 1.939 20 30 EDEDLO Cc1nc(SCC(=O)N[C@](C)(C#N)C[NH+](C)C)c(C#N)c(C)c1C ZINC000565777709 448380077 /nfs/dbraw/zinc/38/00/77/448380077.db2.gz MDXFUFHJPHPSNE-QGZVFWFLSA-N 1 2 345.472 1.931 20 30 EDEDLO Cc1cccc(NC(=O)CSCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000584056054 448469996 /nfs/dbraw/zinc/46/99/96/448469996.db2.gz CEQLHTLAXCMUSN-KRWDZBQOSA-N 1 2 348.472 1.627 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)C[C@@H]21 ZINC000516960895 448509533 /nfs/dbraw/zinc/50/95/33/448509533.db2.gz WTPSXHFKFSSVER-OKZBNKHCSA-N 1 2 340.427 1.660 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)C[C@@H]21 ZINC000516960895 448509537 /nfs/dbraw/zinc/50/95/37/448509537.db2.gz WTPSXHFKFSSVER-OKZBNKHCSA-N 1 2 340.427 1.660 20 30 EDEDLO N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)c1 ZINC000516972427 448513404 /nfs/dbraw/zinc/51/34/04/448513404.db2.gz DPRVDASRFDMBGH-HNNXBMFYSA-N 1 2 336.399 1.061 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)nn1 ZINC000573676674 448686982 /nfs/dbraw/zinc/68/69/82/448686982.db2.gz IZCMGPDQSSTQLU-HNNXBMFYSA-N 1 2 340.431 1.768 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146488 448706305 /nfs/dbraw/zinc/70/63/05/448706305.db2.gz IIQKZFHDNBGXPK-ZBEGNZNMSA-N 1 2 339.342 1.965 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146488 448706311 /nfs/dbraw/zinc/70/63/11/448706311.db2.gz IIQKZFHDNBGXPK-ZBEGNZNMSA-N 1 2 339.342 1.965 20 30 EDEDLO COc1ccc(N2C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC2=O)cc1 ZINC000573776285 448707456 /nfs/dbraw/zinc/70/74/56/448707456.db2.gz UUNBWLIPVOBWKX-SCLBCKFNSA-N 1 2 344.415 1.008 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149777 448710856 /nfs/dbraw/zinc/71/08/56/448710856.db2.gz WHXGLAKBUNDPED-PXAZEXFGSA-N 1 2 330.388 1.322 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149777 448710860 /nfs/dbraw/zinc/71/08/60/448710860.db2.gz WHXGLAKBUNDPED-PXAZEXFGSA-N 1 2 330.388 1.322 20 30 EDEDLO CC1(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000579174138 448730932 /nfs/dbraw/zinc/73/09/32/448730932.db2.gz OVHRVLNRGSOGAZ-UHFFFAOYSA-N 1 2 333.457 1.948 20 30 EDEDLO CC1(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000579174138 448730935 /nfs/dbraw/zinc/73/09/35/448730935.db2.gz OVHRVLNRGSOGAZ-UHFFFAOYSA-N 1 2 333.457 1.948 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000585731100 448750336 /nfs/dbraw/zinc/75/03/36/448750336.db2.gz HWESWNZFMVMBQG-CHWSQXEVSA-N 1 2 325.372 1.137 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000567893277 448781141 /nfs/dbraw/zinc/78/11/41/448781141.db2.gz SXOOFQKNRANLGV-HOCLYGCPSA-N 1 2 346.431 1.309 20 30 EDEDLO C=CCSCCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000586812549 448816424 /nfs/dbraw/zinc/81/64/24/448816424.db2.gz KPAMNFUPTNJPAI-OAHLLOKOSA-N 1 2 333.457 1.325 20 30 EDEDLO C=CCSCCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000586812549 448816428 /nfs/dbraw/zinc/81/64/28/448816428.db2.gz KPAMNFUPTNJPAI-OAHLLOKOSA-N 1 2 333.457 1.325 20 30 EDEDLO Cc1csc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1C#N ZINC000579727508 448864834 /nfs/dbraw/zinc/86/48/34/448864834.db2.gz NYNBYRPPUYTETO-LBPRGKRZSA-N 1 2 338.433 1.085 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000592522983 448877144 /nfs/dbraw/zinc/87/71/44/448877144.db2.gz UZSSXQZBVDLALE-CQSZACIVSA-N 1 2 335.205 1.947 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000592522983 448877147 /nfs/dbraw/zinc/87/71/47/448877147.db2.gz UZSSXQZBVDLALE-CQSZACIVSA-N 1 2 335.205 1.947 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000520253273 448878452 /nfs/dbraw/zinc/87/84/52/448878452.db2.gz WIZZCBDMBGIXDA-UHFFFAOYSA-N 1 2 345.447 1.296 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000568587755 448889575 /nfs/dbraw/zinc/88/95/75/448889575.db2.gz RAQXQAWDLMOTTE-LSDHHAIUSA-N 1 2 325.453 1.378 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000568587755 448889577 /nfs/dbraw/zinc/88/95/77/448889577.db2.gz RAQXQAWDLMOTTE-LSDHHAIUSA-N 1 2 325.453 1.378 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000547971086 448954775 /nfs/dbraw/zinc/95/47/75/448954775.db2.gz FAMWWFHCKOKLBL-IINYFYTJSA-N 1 2 331.441 1.892 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000547971086 448954779 /nfs/dbraw/zinc/95/47/79/448954779.db2.gz FAMWWFHCKOKLBL-IINYFYTJSA-N 1 2 331.441 1.892 20 30 EDEDLO N#Cc1cncc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000574910060 448987700 /nfs/dbraw/zinc/98/77/00/448987700.db2.gz AAYQJBZHXTVFNE-UHFFFAOYSA-N 1 2 342.447 1.485 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1)OCC ZINC000581731170 448984251 /nfs/dbraw/zinc/98/42/51/448984251.db2.gz MTJYSLGBHMRBTO-RHSMWYFYSA-N 1 2 335.448 1.529 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC(C)(C)CC#N)C(C)(C)CO ZINC000582074009 449005222 /nfs/dbraw/zinc/00/52/22/449005222.db2.gz XUFFXKVMGMHXES-LBPRGKRZSA-N 1 2 342.465 1.339 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548306368 449015933 /nfs/dbraw/zinc/01/59/33/449015933.db2.gz SXVCFDWWXOAQMO-ZDUSSCGKSA-N 1 2 332.747 1.449 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548306368 449015936 /nfs/dbraw/zinc/01/59/36/449015936.db2.gz SXVCFDWWXOAQMO-ZDUSSCGKSA-N 1 2 332.747 1.449 20 30 EDEDLO N#Cc1ccc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)nc1N ZINC000569378027 449018149 /nfs/dbraw/zinc/01/81/49/449018149.db2.gz DFTWMBKYODMKOM-INIZCTEOSA-N 1 2 341.390 2.160 20 30 EDEDLO CCCCC(=O)N1CSC[C@@H]1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000582244449 449047462 /nfs/dbraw/zinc/04/74/62/449047462.db2.gz BKPBNALZNMUJCL-IUODEOHRSA-N 1 2 326.466 1.038 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000592922717 449059099 /nfs/dbraw/zinc/05/90/99/449059099.db2.gz CPMREMXNGQKBNZ-CQSZACIVSA-N 1 2 331.441 1.766 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000592924695 449061282 /nfs/dbraw/zinc/06/12/82/449061282.db2.gz KAJPHOLXOMISGZ-CYBMUJFWSA-N 1 2 328.328 1.285 20 30 EDEDLO C=CCCSCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000595720582 449131914 /nfs/dbraw/zinc/13/19/14/449131914.db2.gz MBCQSZRDVJBWBC-CABCVRRESA-N 1 2 327.494 1.800 20 30 EDEDLO C[C@@H](CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)n1cc[nH+]c1 ZINC000593048373 449113976 /nfs/dbraw/zinc/11/39/76/449113976.db2.gz HVHJYDCTBAZVSG-AWEZNQCLSA-N 1 2 338.415 1.886 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000593156383 449154328 /nfs/dbraw/zinc/15/43/28/449154328.db2.gz WCSLNWYIYVZJOS-SFHVURJKSA-N 1 2 342.399 1.023 20 30 EDEDLO C[C@H](c1ccccc1)N1C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1=O ZINC000593155559 449154472 /nfs/dbraw/zinc/15/44/72/449154472.db2.gz BWFNVPAHXGJJDQ-SIXWZSSISA-N 1 2 342.443 1.556 20 30 EDEDLO COC(=O)[C@@](C)(CCF)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000595774515 449158313 /nfs/dbraw/zinc/15/83/13/449158313.db2.gz NYHMIGOQCFYMQB-CQSZACIVSA-N 1 2 327.381 1.829 20 30 EDEDLO CCO[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595748394 449144418 /nfs/dbraw/zinc/14/44/18/449144418.db2.gz SRLOPNRJXLFPEG-IYARVYRRSA-N 1 2 342.443 1.953 20 30 EDEDLO CC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1nnc2n1CCCCC2 ZINC000595802068 449175734 /nfs/dbraw/zinc/17/57/34/449175734.db2.gz YSANGMCSJLYZDZ-KBPBESRZSA-N 1 2 344.463 1.996 20 30 EDEDLO CCOC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595835500 449197188 /nfs/dbraw/zinc/19/71/88/449197188.db2.gz RXIQOHUGDSOYCO-MAUKXSAKSA-N 1 2 332.400 1.839 20 30 EDEDLO CCOC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595835500 449197192 /nfs/dbraw/zinc/19/71/92/449197192.db2.gz RXIQOHUGDSOYCO-MAUKXSAKSA-N 1 2 332.400 1.839 20 30 EDEDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611173992 449199266 /nfs/dbraw/zinc/19/92/66/449199266.db2.gz UIEFQQOMHQPKGL-KRWDZBQOSA-N 1 2 328.460 1.873 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCN(CCC#N)CC1 ZINC000611175197 449200971 /nfs/dbraw/zinc/20/09/71/449200971.db2.gz ARKPIMWSRSDMNR-CQSZACIVSA-N 1 2 344.415 1.316 20 30 EDEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1)c1ccc(F)cc1 ZINC000611174739 449201253 /nfs/dbraw/zinc/20/12/53/449201253.db2.gz PQCNODZPTBTMPF-GJZGRUSLSA-N 1 2 332.423 1.923 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c(SC)[nH]c1=O)[C@@H]1CC[N@H+](CC)C1 ZINC000598041259 449208699 /nfs/dbraw/zinc/20/86/99/449208699.db2.gz KMSADNGNWXQDCI-GFCCVEGCSA-N 1 2 334.445 1.937 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c(SC)[nH]c1=O)[C@@H]1CC[N@@H+](CC)C1 ZINC000598041259 449208702 /nfs/dbraw/zinc/20/87/02/449208702.db2.gz KMSADNGNWXQDCI-GFCCVEGCSA-N 1 2 334.445 1.937 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc(C4CC4)o3)CC2)c1C#N ZINC000600151409 449215904 /nfs/dbraw/zinc/21/59/04/449215904.db2.gz LAXAMUVMCUKROZ-UHFFFAOYSA-N 1 2 326.404 1.788 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595827310 449190095 /nfs/dbraw/zinc/19/00/95/449190095.db2.gz BQDBGMXODGZRMJ-CRAIPNDOSA-N 1 2 341.411 1.717 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595827310 449190101 /nfs/dbraw/zinc/19/01/01/449190101.db2.gz BQDBGMXODGZRMJ-CRAIPNDOSA-N 1 2 341.411 1.717 20 30 EDEDLO CCn1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000593389262 449258409 /nfs/dbraw/zinc/25/84/09/449258409.db2.gz POBOBVMOATXQLW-UHFFFAOYSA-N 1 2 337.427 1.662 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000593887146 449264084 /nfs/dbraw/zinc/26/40/84/449264084.db2.gz OREHGZNWMPKVBB-UHFFFAOYSA-N 1 2 331.416 1.173 20 30 EDEDLO Cc1cn2ccc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2[nH+]1 ZINC000602055497 449306307 /nfs/dbraw/zinc/30/63/07/449306307.db2.gz PIELUBHBEJSASI-UHFFFAOYSA-N 1 2 346.394 1.872 20 30 EDEDLO CC[N@H+](CC(=O)N(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000611515192 449317841 /nfs/dbraw/zinc/31/78/41/449317841.db2.gz JMTSZCMKIJEIRM-MRXNPFEDSA-N 1 2 328.416 1.464 20 30 EDEDLO CC[N@@H+](CC(=O)N(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000611515192 449317845 /nfs/dbraw/zinc/31/78/45/449317845.db2.gz JMTSZCMKIJEIRM-MRXNPFEDSA-N 1 2 328.416 1.464 20 30 EDEDLO N#Cc1cnnc(NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000596097943 449360733 /nfs/dbraw/zinc/36/07/33/449360733.db2.gz KZRNUNSZDHLUBM-UHFFFAOYSA-N 1 2 339.399 1.671 20 30 EDEDLO CCc1c[nH]c(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[nH+]1 ZINC000602090198 449336543 /nfs/dbraw/zinc/33/65/43/449336543.db2.gz SFCBMWOZLGDHPK-UHFFFAOYSA-N 1 2 341.390 1.874 20 30 EDEDLO COCCN(CCC#N)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000594273472 449424425 /nfs/dbraw/zinc/42/44/25/449424425.db2.gz OZOLGFGBLQJUEG-NSHDSACASA-N 1 2 332.326 1.845 20 30 EDEDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160433 449486065 /nfs/dbraw/zinc/48/60/65/449486065.db2.gz WRWOZXOSMGVRQX-HNNXBMFYSA-N 1 2 329.400 1.351 20 30 EDEDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160433 449486069 /nfs/dbraw/zinc/48/60/69/449486069.db2.gz WRWOZXOSMGVRQX-HNNXBMFYSA-N 1 2 329.400 1.351 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598643586 449515120 /nfs/dbraw/zinc/51/51/20/449515120.db2.gz DQJZREAMKCNNOQ-HNNXBMFYSA-N 1 2 335.429 1.008 20 30 EDEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000596599479 449568494 /nfs/dbraw/zinc/56/84/94/449568494.db2.gz VRLIWZMOEMWOSE-UHFFFAOYSA-N 1 2 328.420 1.450 20 30 EDEDLO CC1(C)Cc2n[nH]cc2C[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000596599479 449568499 /nfs/dbraw/zinc/56/84/99/449568499.db2.gz VRLIWZMOEMWOSE-UHFFFAOYSA-N 1 2 328.420 1.450 20 30 EDEDLO C[C@@H](CC#N)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000596586212 449562907 /nfs/dbraw/zinc/56/29/07/449562907.db2.gz GQVLYJVCHDCBFZ-LBPRGKRZSA-N 1 2 340.387 1.536 20 30 EDEDLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602437712 449586407 /nfs/dbraw/zinc/58/64/07/449586407.db2.gz XHTZHQFMALXRHM-LBPRGKRZSA-N 1 2 340.449 1.538 20 30 EDEDLO COc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)nc1 ZINC000612332580 449648166 /nfs/dbraw/zinc/64/81/66/449648166.db2.gz JIVYTWWJEGWNIP-UHFFFAOYSA-N 1 2 333.392 1.170 20 30 EDEDLO C=CCn1cc(CNc2cc(CCC(=O)OCC)[nH+]c(C)n2)nn1 ZINC000601179110 449736784 /nfs/dbraw/zinc/73/67/84/449736784.db2.gz LOGMZCFQCMKIPR-UHFFFAOYSA-N 1 2 330.392 1.670 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000612529600 449755624 /nfs/dbraw/zinc/75/56/24/449755624.db2.gz HGQFMXCEHGVPGG-GOSISDBHSA-N 1 2 347.434 1.941 20 30 EDEDLO C[N@@H+]1CCOC[C@H]1CNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000599161800 449770972 /nfs/dbraw/zinc/77/09/72/449770972.db2.gz WAHDXHDILPFIPI-SNVBAGLBSA-N 1 2 336.317 1.688 20 30 EDEDLO C[N@H+]1CCOC[C@H]1CNc1c(C#N)cnc2c(F)c(F)c(F)cc21 ZINC000599161800 449770976 /nfs/dbraw/zinc/77/09/76/449770976.db2.gz WAHDXHDILPFIPI-SNVBAGLBSA-N 1 2 336.317 1.688 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccnn1CC1CC1 ZINC000597026265 449773662 /nfs/dbraw/zinc/77/36/62/449773662.db2.gz GFCODIHCVWNDBS-CQSZACIVSA-N 1 2 337.431 1.665 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccnn1CC1CC1 ZINC000597026265 449773666 /nfs/dbraw/zinc/77/36/66/449773666.db2.gz GFCODIHCVWNDBS-CQSZACIVSA-N 1 2 337.431 1.665 20 30 EDEDLO CCCn1nccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000597027909 449775062 /nfs/dbraw/zinc/77/50/62/449775062.db2.gz SYVWJXJCLALUMG-CQSZACIVSA-N 1 2 325.420 1.665 20 30 EDEDLO CCCn1nccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000597027909 449775065 /nfs/dbraw/zinc/77/50/65/449775065.db2.gz SYVWJXJCLALUMG-CQSZACIVSA-N 1 2 325.420 1.665 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccccc2F)C[C@@H](C)N1CC#N ZINC000602857006 449865558 /nfs/dbraw/zinc/86/55/58/449865558.db2.gz NTGWDOWXCBSFFG-HUUCEWRRSA-N 1 2 332.423 1.702 20 30 EDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000602865442 449875097 /nfs/dbraw/zinc/87/50/97/449875097.db2.gz YDBDKMDCCRYZEL-AWEZNQCLSA-N 1 2 328.416 1.431 20 30 EDEDLO N#Cc1ccc(Br)c(C[NH+]2CCN(c3nc[nH]n3)CC2)c1 ZINC000602869709 449879539 /nfs/dbraw/zinc/87/95/39/449879539.db2.gz OHEDCNUFFDAYGR-UHFFFAOYSA-N 1 2 347.220 1.761 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000602878795 449886634 /nfs/dbraw/zinc/88/66/34/449886634.db2.gz ATVZMAXPYUQZGC-INIZCTEOSA-N 1 2 330.413 1.892 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000602878795 449886638 /nfs/dbraw/zinc/88/66/38/449886638.db2.gz ATVZMAXPYUQZGC-INIZCTEOSA-N 1 2 330.413 1.892 20 30 EDEDLO N#Cc1c(F)cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1F ZINC000597307855 449935987 /nfs/dbraw/zinc/93/59/87/449935987.db2.gz UKNVARMVAZICDU-ZDUSSCGKSA-N 1 2 335.354 1.773 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609110492 449960661 /nfs/dbraw/zinc/96/06/61/449960661.db2.gz XJWHEOKKGUZPIJ-SFHVURJKSA-N 1 2 342.443 1.318 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000601444777 449967793 /nfs/dbraw/zinc/96/77/93/449967793.db2.gz XTUQANWFXFPSFX-WBVHZDCISA-N 1 2 349.456 1.186 20 30 EDEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000601444777 449967800 /nfs/dbraw/zinc/96/78/00/449967800.db2.gz XTUQANWFXFPSFX-WBVHZDCISA-N 1 2 349.456 1.186 20 30 EDEDLO N#C[C@]1(F)CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000615528127 450125139 /nfs/dbraw/zinc/12/51/39/450125139.db2.gz WKYRLPGELOFWEC-QGZVFWFLSA-N 1 2 332.379 1.988 20 30 EDEDLO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000610162041 450150038 /nfs/dbraw/zinc/15/00/38/450150038.db2.gz FUNVNIMMRBNPSK-GVDBMIGSSA-N 1 2 343.427 1.337 20 30 EDEDLO C[N@H+](CCO)Cc1cn(Cc2ccc(C#N)cc2OC(F)F)nn1 ZINC000603238114 450167499 /nfs/dbraw/zinc/16/74/99/450167499.db2.gz QRTFMZRKEHJBFJ-UHFFFAOYSA-N 1 2 337.330 1.224 20 30 EDEDLO C[N@@H+](CCO)Cc1cn(Cc2ccc(C#N)cc2OC(F)F)nn1 ZINC000603238114 450167503 /nfs/dbraw/zinc/16/75/03/450167503.db2.gz QRTFMZRKEHJBFJ-UHFFFAOYSA-N 1 2 337.330 1.224 20 30 EDEDLO C[C@H](CC#N)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601643794 450136522 /nfs/dbraw/zinc/13/65/22/450136522.db2.gz JVSZHMLWXWRMEH-CQSZACIVSA-N 1 2 333.457 1.417 20 30 EDEDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000601736827 450201853 /nfs/dbraw/zinc/20/18/53/450201853.db2.gz RRSAXJFQAIGUJJ-OAHLLOKOSA-N 1 2 340.383 1.616 20 30 EDEDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000601736827 450201856 /nfs/dbraw/zinc/20/18/56/450201856.db2.gz RRSAXJFQAIGUJJ-OAHLLOKOSA-N 1 2 340.383 1.616 20 30 EDEDLO N#CCc1cccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000619487428 450488563 /nfs/dbraw/zinc/48/85/63/450488563.db2.gz CHUSZBOLRFCNIH-MRXNPFEDSA-N 1 2 349.456 1.238 20 30 EDEDLO C[C@H](C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)n1cnc(C#N)n1 ZINC000619594894 450513672 /nfs/dbraw/zinc/51/36/72/450513672.db2.gz JKVIKNZCWCJBGT-UKRRQHHQSA-N 1 2 349.398 1.544 20 30 EDEDLO CCOC[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000625953353 450541747 /nfs/dbraw/zinc/54/17/47/450541747.db2.gz BILGVOQTFOHUPL-HNNXBMFYSA-N 1 2 342.395 1.023 20 30 EDEDLO CCOC[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000625953353 450541750 /nfs/dbraw/zinc/54/17/50/450541750.db2.gz BILGVOQTFOHUPL-HNNXBMFYSA-N 1 2 342.395 1.023 20 30 EDEDLO C=C(C)COCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000623769434 450580031 /nfs/dbraw/zinc/58/00/31/450580031.db2.gz YHXJXAZMUHAPMM-QGZVFWFLSA-N 1 2 348.447 1.174 20 30 EDEDLO C=C(C)COCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000623769434 450580033 /nfs/dbraw/zinc/58/00/33/450580033.db2.gz YHXJXAZMUHAPMM-QGZVFWFLSA-N 1 2 348.447 1.174 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)n1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000640924776 451692549 /nfs/dbraw/zinc/69/25/49/451692549.db2.gz ZVOWDCSZNXZHLS-HNNXBMFYSA-N 1 2 349.479 1.875 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NCCc2ccccc2)nn1 ZINC000640881705 451670792 /nfs/dbraw/zinc/67/07/92/451670792.db2.gz RURRUHPBZAHZSM-OAHLLOKOSA-N 1 2 325.416 1.311 20 30 EDEDLO C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641291702 451817626 /nfs/dbraw/zinc/81/76/26/451817626.db2.gz USHQUKZOGHEWOM-UHFFFAOYSA-N 1 2 335.429 1.910 20 30 EDEDLO C=CCCNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000658387848 452906817 /nfs/dbraw/zinc/90/68/17/452906817.db2.gz HAWDBSINVDKLAF-CQSZACIVSA-N 1 2 331.416 1.711 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000658418792 452941192 /nfs/dbraw/zinc/94/11/92/452941192.db2.gz UVEHDSNMIXXJHU-MRXNPFEDSA-N 1 2 342.443 1.545 20 30 EDEDLO C=CCn1cc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)nn1 ZINC000648257943 452951777 /nfs/dbraw/zinc/95/17/77/452951777.db2.gz SGYBOHBHYGKQGJ-UHFFFAOYSA-N 1 2 340.431 1.464 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3ccc(N)cc3s2)CC1 ZINC000663359034 453777663 /nfs/dbraw/zinc/77/76/63/453777663.db2.gz BXAWWSSMMYGVMO-UHFFFAOYSA-N 1 2 331.445 1.303 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672781920 486798818 /nfs/dbraw/zinc/79/88/18/486798818.db2.gz GMHGGNKDBMQCQR-HOTGVXAUSA-N 1 2 337.464 1.171 20 30 EDEDLO C=C(C)[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000677476402 487094997 /nfs/dbraw/zinc/09/49/97/487094997.db2.gz OVPMXHMNLZNGJQ-OAHLLOKOSA-N 1 2 344.864 1.583 20 30 EDEDLO CC[N@H+](CC#CCOC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000677817398 487174615 /nfs/dbraw/zinc/17/46/15/487174615.db2.gz PAQSGNLIEUFODD-UHFFFAOYSA-N 1 2 345.399 1.824 20 30 EDEDLO CC[N@@H+](CC#CCOC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000677817398 487174618 /nfs/dbraw/zinc/17/46/18/487174618.db2.gz PAQSGNLIEUFODD-UHFFFAOYSA-N 1 2 345.399 1.824 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000668361014 485641663 /nfs/dbraw/zinc/64/16/63/485641663.db2.gz PKIQMMHPOSURLG-OAHLLOKOSA-N 1 2 337.464 1.028 20 30 EDEDLO COC(=O)[C@H](COC(C)C)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000610848689 485896398 /nfs/dbraw/zinc/89/63/98/485896398.db2.gz KLQACAHRCJPWJS-INIZCTEOSA-N 1 2 347.415 1.785 20 30 EDEDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000610848689 485896403 /nfs/dbraw/zinc/89/64/03/485896403.db2.gz KLQACAHRCJPWJS-INIZCTEOSA-N 1 2 347.415 1.785 20 30 EDEDLO C=CC[N@H+](Cc1cc2ccccc2[nH]c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000111236513 526331942 /nfs/dbraw/zinc/33/19/42/526331942.db2.gz WOLYQJINNGEQFZ-HNNXBMFYSA-N 1 2 332.425 1.703 20 30 EDEDLO C=CC[N@@H+](Cc1cc2ccccc2[nH]c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000111236513 526331949 /nfs/dbraw/zinc/33/19/49/526331949.db2.gz WOLYQJINNGEQFZ-HNNXBMFYSA-N 1 2 332.425 1.703 20 30 EDEDLO C=C(C)COc1cc(C[NH+]2CCN(C(=O)[C@H](C)O)CC2)ccc1OC ZINC000093707075 526659646 /nfs/dbraw/zinc/65/96/46/526659646.db2.gz SXWBSFZSKQRVBV-HNNXBMFYSA-N 1 2 348.443 1.675 20 30 EDEDLO C=CC1CC[NH+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000111259323 526979135 /nfs/dbraw/zinc/97/91/35/526979135.db2.gz YOVMCAOHXJBORJ-INIZCTEOSA-N 1 2 342.505 1.556 20 30 EDEDLO C#CCOc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000174484335 527095369 /nfs/dbraw/zinc/09/53/69/527095369.db2.gz BYAPREPOTFCBHK-KRWDZBQOSA-N 1 2 328.412 1.635 20 30 EDEDLO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352841718 536321057 /nfs/dbraw/zinc/32/10/57/536321057.db2.gz SFJZLCBIZHMZBF-SNVBAGLBSA-N 1 2 336.442 1.774 20 30 EDEDLO COCCn1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC000271106105 536840737 /nfs/dbraw/zinc/84/07/37/536840737.db2.gz WFSMNNVXCOTDDK-UHFFFAOYSA-N 1 2 343.406 1.862 20 30 EDEDLO C[C@@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC000740987814 579392447 /nfs/dbraw/zinc/39/24/47/579392447.db2.gz RZZCWJHKBHSXAZ-AWEZNQCLSA-N 1 2 343.427 1.737 20 30 EDEDLO C[C@@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)[N@H+]1CCc2ccccc2C1 ZINC000740987814 579392448 /nfs/dbraw/zinc/39/24/48/579392448.db2.gz RZZCWJHKBHSXAZ-AWEZNQCLSA-N 1 2 343.427 1.737 20 30 EDEDLO CC[NH+](CC)CC#C[C@H](C)OC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000759582765 580009666 /nfs/dbraw/zinc/00/96/66/580009666.db2.gz MAHKDPVVECWQIR-NSHDSACASA-N 1 2 336.354 1.720 20 30 EDEDLO COCC#CC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759878787 580017803 /nfs/dbraw/zinc/01/78/03/580017803.db2.gz NEAMSBMOWYTNFX-UHFFFAOYSA-N 1 2 334.416 1.484 20 30 EDEDLO C[S@@](=O)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000735103167 578860289 /nfs/dbraw/zinc/86/02/89/578860289.db2.gz MKLHTZBMQQYCMN-XMMPIXPASA-N 1 2 348.472 1.154 20 30 EDEDLO C[S@@](=O)CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000735103167 578860291 /nfs/dbraw/zinc/86/02/91/578860291.db2.gz MKLHTZBMQQYCMN-XMMPIXPASA-N 1 2 348.472 1.154 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000761018639 580044684 /nfs/dbraw/zinc/04/46/84/580044684.db2.gz CJYDDJTZYSCGAD-LLVKDONJSA-N 1 2 345.334 1.068 20 30 EDEDLO CC(C)(CNN=Cc1cc(-n2cc[nH+]c2)cs1)S(C)(=O)=O ZINC000774479062 579084558 /nfs/dbraw/zinc/08/45/58/579084558.db2.gz KUKYOMNYWQSSHI-UHFFFAOYSA-N 1 2 326.447 1.681 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000744418951 579510046 /nfs/dbraw/zinc/51/00/46/579510046.db2.gz ASTFOYRUHDQQMR-CQSZACIVSA-N 1 2 345.830 1.470 20 30 EDEDLO COc1ccc(CNC(=O)C(=O)Nc2ccc(C)[nH+]c2C)cc1C#N ZINC000747496696 579646204 /nfs/dbraw/zinc/64/62/04/579646204.db2.gz PIUYKGRKIRQVFA-UHFFFAOYSA-N 1 2 338.367 1.834 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCCN(C)c3cc(F)ccc32)CC1 ZINC000748821418 579702349 /nfs/dbraw/zinc/70/23/49/579702349.db2.gz PWOSPEZOKSOXGL-UHFFFAOYSA-N 1 2 344.434 1.249 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=S)NC[C@H]3CCOC3)CC2)cc1 ZINC000749637834 579733230 /nfs/dbraw/zinc/73/32/30/579733230.db2.gz AQSCTVOKGUNSJU-QGZVFWFLSA-N 1 2 344.484 1.587 20 30 EDEDLO CCOCCO[C@H]1CC[N@@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000750262331 579757514 /nfs/dbraw/zinc/75/75/14/579757514.db2.gz MQENYAJMJKKKPY-DLBZAZTESA-N 1 2 332.400 1.900 20 30 EDEDLO CCOCCO[C@H]1CC[N@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000750262331 579757515 /nfs/dbraw/zinc/75/75/15/579757515.db2.gz MQENYAJMJKKKPY-DLBZAZTESA-N 1 2 332.400 1.900 20 30 EDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000751669711 579816656 /nfs/dbraw/zinc/81/66/56/579816656.db2.gz ZEIOUPUBEXOISF-CHWSQXEVSA-N 1 2 333.413 1.753 20 30 EDEDLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000751669711 579816657 /nfs/dbraw/zinc/81/66/57/579816657.db2.gz ZEIOUPUBEXOISF-CHWSQXEVSA-N 1 2 333.413 1.753 20 30 EDEDLO C[C@@H]1COCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000753984913 579892827 /nfs/dbraw/zinc/89/28/27/579892827.db2.gz GQMQHAKPERBNRH-UGSOOPFHSA-N 1 2 342.399 1.251 20 30 EDEDLO C[C@@H]1COCC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000753984913 579892828 /nfs/dbraw/zinc/89/28/28/579892828.db2.gz GQMQHAKPERBNRH-UGSOOPFHSA-N 1 2 342.399 1.251 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](CC(=O)OC)C2)c(O)c(OC)c1 ZINC000754738380 579910528 /nfs/dbraw/zinc/91/05/28/579910528.db2.gz AOVAQKHUKWRBCZ-OAHLLOKOSA-N 1 2 335.400 1.893 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCO[C@H](CC(=O)OC)C2)c(O)c(OC)c1 ZINC000754738380 579910529 /nfs/dbraw/zinc/91/05/29/579910529.db2.gz AOVAQKHUKWRBCZ-OAHLLOKOSA-N 1 2 335.400 1.893 20 30 EDEDLO Cn1c[nH+]cc1C=NN1C(=S)N=NC1[C@H]1COc2ccccc2O1 ZINC000755543953 579929268 /nfs/dbraw/zinc/92/92/68/579929268.db2.gz WFSFKJZEXFOUCU-CYBMUJFWSA-N 1 2 342.384 1.695 20 30 EDEDLO C#CCOCCC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000755905301 579937711 /nfs/dbraw/zinc/93/77/11/579937711.db2.gz OVXWTPHSIJRCMU-OAHLLOKOSA-N 1 2 335.473 1.193 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000757574783 579968243 /nfs/dbraw/zinc/96/82/43/579968243.db2.gz GNARYYKFOHUFDV-CHWSQXEVSA-N 1 2 333.392 1.148 20 30 EDEDLO C#CC[C@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccccc1 ZINC000764461491 580120743 /nfs/dbraw/zinc/12/07/43/580120743.db2.gz HZTXJQQGMZVVKZ-SFHVURJKSA-N 1 2 345.443 1.087 20 30 EDEDLO COC(=O)[C@@H]1CC12CC[NH+](Cn1cc3c(c(C#N)c1=O)CCC3)CC2 ZINC000766619892 580170405 /nfs/dbraw/zinc/17/04/05/580170405.db2.gz OVCPJLQOTODXPJ-INIZCTEOSA-N 1 2 341.411 1.441 20 30 EDEDLO C=CCN1C(=O)c2ccc(C(=O)OCCn3cc[nH+]c3)cc2C1=O ZINC000771853573 580296671 /nfs/dbraw/zinc/29/66/71/580296671.db2.gz HRHNTOPLGMGVAZ-UHFFFAOYSA-N 1 2 325.324 1.522 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772050872 580301902 /nfs/dbraw/zinc/30/19/02/580301902.db2.gz RKGMXRITLSCNHD-IUODEOHRSA-N 1 2 327.450 1.021 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772050872 580301903 /nfs/dbraw/zinc/30/19/03/580301903.db2.gz RKGMXRITLSCNHD-IUODEOHRSA-N 1 2 327.450 1.021 20 30 EDEDLO C#C[C@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000773614323 580342604 /nfs/dbraw/zinc/34/26/04/580342604.db2.gz QOXVZIHQAIAENP-HNNXBMFYSA-N 1 2 334.464 1.032 20 30 EDEDLO C[C@H]1C[NH+]=C(NN=Cc2csc(-c3ccc4c(c3)OCO4)n2)N1 ZINC000779791423 580497286 /nfs/dbraw/zinc/49/72/86/580497286.db2.gz IYPSPKUPYBRACD-VIFPVBQESA-N 1 2 329.385 1.810 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000780679367 580531094 /nfs/dbraw/zinc/53/10/94/580531094.db2.gz AXFBDVKGJRNNNN-UONOGXRCSA-N 1 2 332.404 1.820 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000780679367 580531095 /nfs/dbraw/zinc/53/10/95/580531095.db2.gz AXFBDVKGJRNNNN-UONOGXRCSA-N 1 2 332.404 1.820 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000782055247 580565144 /nfs/dbraw/zinc/56/51/44/580565144.db2.gz PGLHUQXTENWUAL-GDBMZVCRSA-N 1 2 349.456 1.031 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000782055247 580565145 /nfs/dbraw/zinc/56/51/45/580565145.db2.gz PGLHUQXTENWUAL-GDBMZVCRSA-N 1 2 349.456 1.031 20 30 EDEDLO C#CCCCCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000783015126 580591709 /nfs/dbraw/zinc/59/17/09/580591709.db2.gz XJYIHSJFAUALBE-AWEZNQCLSA-N 1 2 331.420 1.014 20 30 EDEDLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000784228032 580615976 /nfs/dbraw/zinc/61/59/76/580615976.db2.gz CWMNHCXBCAOAIT-MRXNPFEDSA-N 1 2 329.400 1.785 20 30 EDEDLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000784228032 580615977 /nfs/dbraw/zinc/61/59/77/580615977.db2.gz CWMNHCXBCAOAIT-MRXNPFEDSA-N 1 2 329.400 1.785 20 30 EDEDLO C[C@H](OC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(=O)NC1(C#N)CCC1 ZINC000787785127 580705710 /nfs/dbraw/zinc/70/57/10/580705710.db2.gz ZYNTWMZKWYGZPN-DZGCQCFKSA-N 1 2 329.400 1.783 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789771060 580753149 /nfs/dbraw/zinc/75/31/49/580753149.db2.gz USTIPTJPNPIPCC-KRWDZBQOSA-N 1 2 347.802 1.526 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789771060 580753150 /nfs/dbraw/zinc/75/31/50/580753150.db2.gz USTIPTJPNPIPCC-KRWDZBQOSA-N 1 2 347.802 1.526 20 30 EDEDLO CO[C@@H](C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000795747441 580936416 /nfs/dbraw/zinc/93/64/16/580936416.db2.gz AQNWPMJKNWOWBX-SJCJKPOMSA-N 1 2 330.388 1.249 20 30 EDEDLO CO[C@@H](C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000795747441 580936417 /nfs/dbraw/zinc/93/64/17/580936417.db2.gz AQNWPMJKNWOWBX-SJCJKPOMSA-N 1 2 330.388 1.249 20 30 EDEDLO C=C(C)C[N@H+](CC(=O)NCc1ccccn1)Cc1ccc(CO)o1 ZINC000796383334 580952631 /nfs/dbraw/zinc/95/26/31/580952631.db2.gz OMOXCBFQGIEFMQ-UHFFFAOYSA-N 1 2 329.400 1.861 20 30 EDEDLO C=C(C)C[N@@H+](CC(=O)NCc1ccccn1)Cc1ccc(CO)o1 ZINC000796383334 580952632 /nfs/dbraw/zinc/95/26/32/580952632.db2.gz OMOXCBFQGIEFMQ-UHFFFAOYSA-N 1 2 329.400 1.861 20 30 EDEDLO C#CC[N@@H+](CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)Cc1ccccc1 ZINC000796641044 580958693 /nfs/dbraw/zinc/95/86/93/580958693.db2.gz UWOMLKNALJNLOF-CRAIPNDOSA-N 1 2 330.428 1.826 20 30 EDEDLO C#CC[N@H+](CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)Cc1ccccc1 ZINC000796641044 580958694 /nfs/dbraw/zinc/95/86/94/580958694.db2.gz UWOMLKNALJNLOF-CRAIPNDOSA-N 1 2 330.428 1.826 20 30 EDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000799977470 581040322 /nfs/dbraw/zinc/04/03/22/581040322.db2.gz WUYSQAUHMYUMIY-AWEZNQCLSA-N 1 2 346.383 1.793 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800120571 581043736 /nfs/dbraw/zinc/04/37/36/581043736.db2.gz TZQVJRWSAYUUAG-LBPRGKRZSA-N 1 2 347.415 1.472 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800120571 581043737 /nfs/dbraw/zinc/04/37/37/581043737.db2.gz TZQVJRWSAYUUAG-LBPRGKRZSA-N 1 2 347.415 1.472 20 30 EDEDLO C#CC[N@@H+](Cc1ccc([Si](C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000801931879 581088435 /nfs/dbraw/zinc/08/84/35/581088435.db2.gz CRWLZCROXIOZTD-MRXNPFEDSA-N 1 2 335.545 1.854 20 30 EDEDLO C#CC[N@H+](Cc1ccc([Si](C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000801931879 581088436 /nfs/dbraw/zinc/08/84/36/581088436.db2.gz CRWLZCROXIOZTD-MRXNPFEDSA-N 1 2 335.545 1.854 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnn(C2CCC2)c1 ZINC000892224550 590873331 /nfs/dbraw/zinc/87/33/31/590873331.db2.gz XCWGPPKUURRTNQ-CQSZACIVSA-N 1 2 337.431 1.980 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnn(C2CCC2)c1 ZINC000892224550 590873334 /nfs/dbraw/zinc/87/33/34/590873334.db2.gz XCWGPPKUURRTNQ-CQSZACIVSA-N 1 2 337.431 1.980 20 30 EDEDLO C#CCCOc1ccc(C(=O)O[C@@H]2C[N@H+](C)[C@](C)(C(=O)OC)C2)cc1 ZINC000893577575 590980819 /nfs/dbraw/zinc/98/08/19/590980819.db2.gz NTOHGSPMMAATTR-LPHOPBHVSA-N 1 2 345.395 1.881 20 30 EDEDLO C#CCCOc1ccc(C(=O)O[C@@H]2C[N@@H+](C)[C@](C)(C(=O)OC)C2)cc1 ZINC000893577575 590980821 /nfs/dbraw/zinc/98/08/21/590980821.db2.gz NTOHGSPMMAATTR-LPHOPBHVSA-N 1 2 345.395 1.881 20 30 EDEDLO COC(=O)[C@H]1[C@H](C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C1(F)F ZINC000893923740 591139999 /nfs/dbraw/zinc/13/99/99/591139999.db2.gz HKQVHRWRXWBZAA-GXTWGEPZSA-N 1 2 336.342 1.130 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000891606867 591147421 /nfs/dbraw/zinc/14/74/21/591147421.db2.gz PQBJGPZHBQXWFU-CQSZACIVSA-N 1 2 344.802 1.364 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 ZINC000891606867 591147422 /nfs/dbraw/zinc/14/74/22/591147422.db2.gz PQBJGPZHBQXWFU-CQSZACIVSA-N 1 2 344.802 1.364 20 30 EDEDLO C#CC1(O)CN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)C1 ZINC000891656488 591170886 /nfs/dbraw/zinc/17/08/86/591170886.db2.gz OWSQGOIHVAOYOW-CQSZACIVSA-N 1 2 328.347 1.038 20 30 EDEDLO CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2C[NH2+]CCC#N)C1 ZINC000894082410 591183430 /nfs/dbraw/zinc/18/34/30/591183430.db2.gz DNYUTZLWTULNAH-CYBMUJFWSA-N 1 2 334.424 1.853 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000894916120 591473243 /nfs/dbraw/zinc/47/32/43/591473243.db2.gz QYGKWYCROBDRPV-INIZCTEOSA-N 1 2 325.372 1.575 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896532529 591496331 /nfs/dbraw/zinc/49/63/31/591496331.db2.gz LSZPGQVLHGBCNA-RKVPGOIHSA-N 1 2 328.460 1.487 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896532529 591496333 /nfs/dbraw/zinc/49/63/33/591496333.db2.gz LSZPGQVLHGBCNA-RKVPGOIHSA-N 1 2 328.460 1.487 20 30 EDEDLO C#CC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000898736259 591500333 /nfs/dbraw/zinc/50/03/33/591500333.db2.gz NSWLMLXVHPPNFS-IUODEOHRSA-N 1 2 348.353 1.471 20 30 EDEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000895067297 591561660 /nfs/dbraw/zinc/56/16/60/591561660.db2.gz TVOQSRCHTFZNKU-QGZVFWFLSA-N 1 2 329.400 1.412 20 30 EDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC2CCN(CC#N)CC2)[nH]n1 ZINC000896667928 591571861 /nfs/dbraw/zinc/57/18/61/591571861.db2.gz OIOAHVUNZIQXFF-MRXNPFEDSA-N 1 2 330.436 1.142 20 30 EDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC2CCN(CC#N)CC2)[nH]n1 ZINC000896667928 591571865 /nfs/dbraw/zinc/57/18/65/591571865.db2.gz OIOAHVUNZIQXFF-MRXNPFEDSA-N 1 2 330.436 1.142 20 30 EDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC2CCN(CC#N)CC2)n[nH]1 ZINC000896667928 591571868 /nfs/dbraw/zinc/57/18/68/591571868.db2.gz OIOAHVUNZIQXFF-MRXNPFEDSA-N 1 2 330.436 1.142 20 30 EDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC2CCN(CC#N)CC2)n[nH]1 ZINC000896667928 591571870 /nfs/dbraw/zinc/57/18/70/591571870.db2.gz OIOAHVUNZIQXFF-MRXNPFEDSA-N 1 2 330.436 1.142 20 30 EDEDLO CC(C)(C)OC(=O)N1CCOC[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000897628721 591595920 /nfs/dbraw/zinc/59/59/20/591595920.db2.gz AMMMXDDNOZSLPV-GFCCVEGCSA-N 1 2 338.433 1.740 20 30 EDEDLO COc1cc(Br)c(C[NH2+][C@@H]2CCCN(O)C2=O)cc1O ZINC000895163641 591629772 /nfs/dbraw/zinc/62/97/72/591629772.db2.gz WXVPSTQBBGNLLD-SNVBAGLBSA-N 1 2 345.193 1.633 20 30 EDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)[nH]n1 ZINC000899182755 591716833 /nfs/dbraw/zinc/71/68/33/591716833.db2.gz AGZHINVYYWEKRM-QAPCUYQASA-N 1 2 335.411 1.945 20 30 EDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)[nH]n1 ZINC000899182755 591716834 /nfs/dbraw/zinc/71/68/34/591716834.db2.gz AGZHINVYYWEKRM-QAPCUYQASA-N 1 2 335.411 1.945 20 30 EDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)n[nH]1 ZINC000899182755 591716835 /nfs/dbraw/zinc/71/68/35/591716835.db2.gz AGZHINVYYWEKRM-QAPCUYQASA-N 1 2 335.411 1.945 20 30 EDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)n[nH]1 ZINC000899182755 591716836 /nfs/dbraw/zinc/71/68/36/591716836.db2.gz AGZHINVYYWEKRM-QAPCUYQASA-N 1 2 335.411 1.945 20 30 EDEDLO Cc1cc(C#N)cc(C)c1C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000895339349 591718047 /nfs/dbraw/zinc/71/80/47/591718047.db2.gz MFNUCFGFHZTTRP-HSZRJFAPSA-N 1 2 333.457 1.311 20 30 EDEDLO COC(=O)c1ccc(NCc2nc(C[NH+](C)C)cs2)c(C#N)n1 ZINC000895480919 591773092 /nfs/dbraw/zinc/77/30/92/591773092.db2.gz OUAUPGRMFDARIS-UHFFFAOYSA-N 1 2 331.401 1.870 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)[C@@H]3[C@H]4CC[C@H](C4=C(C)C)[C@@H]3C2=O)CC1 ZINC000902041786 591901454 /nfs/dbraw/zinc/90/14/54/591901454.db2.gz QFQHELQCRPEWTN-YJEJQGFLSA-N 1 2 341.455 1.172 20 30 EDEDLO Cc1cc(C)c(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000900457275 592023424 /nfs/dbraw/zinc/02/34/24/592023424.db2.gz VREOZGCDKAOYRT-UHFFFAOYSA-N 1 2 335.473 1.982 20 30 EDEDLO Cc1cc(C(N)=[NH+]OCC(=O)N2C[C@H](C)OC(C)(C)C2)ccc1F ZINC000902699677 592044672 /nfs/dbraw/zinc/04/46/72/592044672.db2.gz PZHSLYUCOAJNBR-LBPRGKRZSA-N 1 2 337.395 1.797 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000900557562 592059125 /nfs/dbraw/zinc/05/91/25/592059125.db2.gz UKWGGJHZARRSAQ-CMDGGOBGSA-N 1 2 330.428 1.961 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000900557562 592059128 /nfs/dbraw/zinc/05/91/28/592059128.db2.gz UKWGGJHZARRSAQ-CMDGGOBGSA-N 1 2 330.428 1.961 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903026564 592107684 /nfs/dbraw/zinc/10/76/84/592107684.db2.gz JBQZYEAKOHOHKX-LBPRGKRZSA-N 1 2 328.401 1.535 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903026564 592107686 /nfs/dbraw/zinc/10/76/86/592107686.db2.gz JBQZYEAKOHOHKX-LBPRGKRZSA-N 1 2 328.401 1.535 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903030210 592110052 /nfs/dbraw/zinc/11/00/52/592110052.db2.gz IZTLTOZVANQIPW-DZGCQCFKSA-N 1 2 336.399 1.862 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903030210 592110053 /nfs/dbraw/zinc/11/00/53/592110053.db2.gz IZTLTOZVANQIPW-DZGCQCFKSA-N 1 2 336.399 1.862 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1 ZINC000900877663 592154209 /nfs/dbraw/zinc/15/42/09/592154209.db2.gz DFNVJBZOEIIYKE-RUEXWFJESA-N 1 2 342.439 1.913 20 30 EDEDLO CCN(C)c1ccc(/C=C/C(=O)c2cn(CC(=O)OC)nn2)c[nH+]1 ZINC000905084514 592390292 /nfs/dbraw/zinc/39/02/92/592390292.db2.gz LCTAQWLTZQCMJX-FNORWQNLSA-N 1 2 329.360 1.198 20 30 EDEDLO C[C@@H]1[C@@](F)(Cl)[C@@]1(C)C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000905422246 592526152 /nfs/dbraw/zinc/52/61/52/592526152.db2.gz MOSNTYOVWPEIMA-DRZSPHRISA-N 1 2 336.864 1.329 20 30 EDEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@@H+](C)C[C@@H](C)O2)n1CC=C ZINC000908694404 592573975 /nfs/dbraw/zinc/57/39/75/592573975.db2.gz BGFBRARJRKLLGQ-BZUAXINKSA-N 1 2 329.448 1.848 20 30 EDEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@H+](C)C[C@@H](C)O2)n1CC=C ZINC000908694404 592573978 /nfs/dbraw/zinc/57/39/78/592573978.db2.gz BGFBRARJRKLLGQ-BZUAXINKSA-N 1 2 329.448 1.848 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ncon3)n2Cc2ccccc2)CC1 ZINC000908982280 592696528 /nfs/dbraw/zinc/69/65/28/592696528.db2.gz OLBFKJFLSXZVRK-UHFFFAOYSA-N 1 2 349.398 1.132 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@]2(C#N)CC3CCC2CC3)CCN1C ZINC000907563803 592710627 /nfs/dbraw/zinc/71/06/27/592710627.db2.gz IPXKWXCHQAQIDP-IADFQQGMSA-N 1 2 341.459 1.955 20 30 EDEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC(C)(C)O ZINC000734149735 592957281 /nfs/dbraw/zinc/95/72/81/592957281.db2.gz IJLJVGWQDFHPDA-LBPRGKRZSA-N 1 2 328.372 1.214 20 30 EDEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC(C)(C)O ZINC000734149735 592957282 /nfs/dbraw/zinc/95/72/82/592957282.db2.gz IJLJVGWQDFHPDA-LBPRGKRZSA-N 1 2 328.372 1.214 20 30 EDEDLO C#CCCCNC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000806914347 593127401 /nfs/dbraw/zinc/12/74/01/593127401.db2.gz BLXOPKOMCBGNAJ-UHFFFAOYSA-N 1 2 338.411 1.272 20 30 EDEDLO C=CCN(C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)C(C)C ZINC000839245642 593279230 /nfs/dbraw/zinc/27/92/30/593279230.db2.gz CLLIBRWODKHTBQ-INIZCTEOSA-N 1 2 344.459 1.710 20 30 EDEDLO N#CC1(OCCOC(=O)Cc2cn3ccccc3[nH+]2)CCOCC1 ZINC000809082873 593316049 /nfs/dbraw/zinc/31/60/49/593316049.db2.gz PSBJUHJPYALFTL-UHFFFAOYSA-N 1 2 329.356 1.509 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2scnc2Br)CC1 ZINC000757896541 593388922 /nfs/dbraw/zinc/38/89/22/593388922.db2.gz YMKMJPZMRWHSHD-UHFFFAOYSA-N 1 2 328.235 1.687 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C(=O)[C@@]3(CCCO3)[C@@H]2C(C)C)C1=O ZINC000840063622 593452294 /nfs/dbraw/zinc/45/22/94/593452294.db2.gz LDNMFTQDESMDHH-RLFYNMQTSA-N 1 2 335.448 1.079 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C(=O)[C@@]3(CCCO3)[C@@H]2C(C)C)C1=O ZINC000840063622 593452295 /nfs/dbraw/zinc/45/22/95/593452295.db2.gz LDNMFTQDESMDHH-RLFYNMQTSA-N 1 2 335.448 1.079 20 30 EDEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000805470772 593455818 /nfs/dbraw/zinc/45/58/18/593455818.db2.gz WYJMICFAUUYMHW-LSDHHAIUSA-N 1 2 332.356 1.036 20 30 EDEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000805470772 593455821 /nfs/dbraw/zinc/45/58/21/593455821.db2.gz WYJMICFAUUYMHW-LSDHHAIUSA-N 1 2 332.356 1.036 20 30 EDEDLO Cc1sc2ncn(N=Cc3c[nH+]c(N(C)C)n3C)c(=O)c2c1C ZINC000811631618 593475330 /nfs/dbraw/zinc/47/53/30/593475330.db2.gz GHQWLBHQDSCKHM-UHFFFAOYSA-N 1 2 330.417 1.757 20 30 EDEDLO CC[C@H](O)CN[NH+]=Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O ZINC000811654445 593475743 /nfs/dbraw/zinc/47/57/43/593475743.db2.gz PYQJIPLKZHQVSH-LBPRGKRZSA-N 1 2 337.383 1.655 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000817283096 593588682 /nfs/dbraw/zinc/58/86/82/593588682.db2.gz XIEDKQFERSVCIC-DOTOQJQBSA-N 1 2 342.443 1.841 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000817283096 593588683 /nfs/dbraw/zinc/58/86/83/593588683.db2.gz XIEDKQFERSVCIC-DOTOQJQBSA-N 1 2 342.443 1.841 20 30 EDEDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)CC(C)(C)C#N)CC2)cc1 ZINC000814670047 593600373 /nfs/dbraw/zinc/60/03/73/593600373.db2.gz KJOUWSBGCUCGHC-UHFFFAOYSA-N 1 2 344.459 1.825 20 30 EDEDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)CC(C)(C)C#N)CC2)cc1 ZINC000814670047 593600374 /nfs/dbraw/zinc/60/03/74/593600374.db2.gz KJOUWSBGCUCGHC-UHFFFAOYSA-N 1 2 344.459 1.825 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1ccc(C)nc1C ZINC000814716503 593601176 /nfs/dbraw/zinc/60/11/76/593601176.db2.gz CYUHAUKAKZPWKN-UHFFFAOYSA-N 1 2 335.477 1.219 20 30 EDEDLO C=CCCCC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819734888 593766160 /nfs/dbraw/zinc/76/61/60/593766160.db2.gz WTCQQQIHMYCQNW-UHFFFAOYSA-N 1 2 340.431 1.867 20 30 EDEDLO C#C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(F)cc1 ZINC000819997530 593782177 /nfs/dbraw/zinc/78/21/77/593782177.db2.gz LJAUCZYGDIDSOZ-KURKYZTESA-N 1 2 346.402 1.496 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ccnc(Cl)c2)c1=O ZINC000821044613 593952293 /nfs/dbraw/zinc/95/22/93/593952293.db2.gz SWGVMMPHPPNNJT-UHFFFAOYSA-N 1 2 344.802 1.649 20 30 EDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000822451341 594050828 /nfs/dbraw/zinc/05/08/28/594050828.db2.gz KYBGKUWPXCMATB-GJZGRUSLSA-N 1 2 344.415 1.916 20 30 EDEDLO C#CC1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000825754244 594238733 /nfs/dbraw/zinc/23/87/33/594238733.db2.gz XWNKHGJSMUOVBW-QGZVFWFLSA-N 1 2 337.489 1.249 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826549611 594522797 /nfs/dbraw/zinc/52/27/97/594522797.db2.gz ANALGIXTVNELQQ-OTWHNJEPSA-N 1 2 344.455 1.903 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826549611 594522798 /nfs/dbraw/zinc/52/27/98/594522798.db2.gz ANALGIXTVNELQQ-OTWHNJEPSA-N 1 2 344.455 1.903 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC000826555743 594524647 /nfs/dbraw/zinc/52/46/47/594524647.db2.gz VFHWYSZCXGDQGX-KRWDZBQOSA-N 1 2 325.428 1.189 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC000826555743 594524648 /nfs/dbraw/zinc/52/46/48/594524648.db2.gz VFHWYSZCXGDQGX-KRWDZBQOSA-N 1 2 325.428 1.189 20 30 EDEDLO C#CCCOc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000826883343 594594548 /nfs/dbraw/zinc/59/45/48/594594548.db2.gz VNJQIAYNZQWDEN-KRWDZBQOSA-N 1 2 328.412 1.635 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000829345025 594599970 /nfs/dbraw/zinc/59/99/70/594599970.db2.gz FYXLSBNSFOPLEQ-QVKFZJNVSA-N 1 2 325.865 1.901 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000831413673 594626455 /nfs/dbraw/zinc/62/64/55/594626455.db2.gz JYEWZTNUOHMSEJ-JFIYKMOQSA-N 1 2 336.395 1.995 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2[nH]c3ccccc3c2CC(=O)OC)CC1 ZINC000827518852 594678212 /nfs/dbraw/zinc/67/82/12/594678212.db2.gz FSGFMDXKLLNRSE-UHFFFAOYSA-N 1 2 339.395 1.274 20 30 EDEDLO N#Cc1ccc(OC2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)nc1 ZINC000831554827 594682956 /nfs/dbraw/zinc/68/29/56/594682956.db2.gz FNHVOAAMWMYEOB-UHFFFAOYSA-N 1 2 325.372 1.725 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000831687570 594692712 /nfs/dbraw/zinc/69/27/12/594692712.db2.gz SDBVOXLUJRICTQ-ZNMIVQPWSA-N 1 2 335.448 1.849 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000831687828 594692735 /nfs/dbraw/zinc/69/27/35/594692735.db2.gz WUQDQXHPDYHRSC-CQSZACIVSA-N 1 2 335.448 1.945 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000831687871 594692749 /nfs/dbraw/zinc/69/27/49/594692749.db2.gz YBQNKTGQVSZHGH-CQSZACIVSA-N 1 2 329.400 1.470 20 30 EDEDLO CC(C)N(C(=O)[C@@H](C)ON=C(N)C[NH+]1CCSCC1)C(C)C ZINC000121438467 594874042 /nfs/dbraw/zinc/87/40/42/594874042.db2.gz JVIVISLBIDQVKP-CYBMUJFWSA-N 1 2 330.498 1.358 20 30 EDEDLO Cc1cccc(-c2noc(CON=C(N)C[NH+]3CCSCC3)n2)c1 ZINC000121443082 594973381 /nfs/dbraw/zinc/97/33/81/594973381.db2.gz HGIQBIRLLZTOPO-UHFFFAOYSA-N 1 2 347.444 1.883 20 30 EDEDLO N#CCSc1ccccc1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836864183 595006646 /nfs/dbraw/zinc/00/66/46/595006646.db2.gz JWIBYYSPNOHHRI-OKILXGFUSA-N 1 2 331.441 1.895 20 30 EDEDLO N#CCSc1ccccc1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836864183 595006649 /nfs/dbraw/zinc/00/66/49/595006649.db2.gz JWIBYYSPNOHHRI-OKILXGFUSA-N 1 2 331.441 1.895 20 30 EDEDLO C#CC1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCN(C)CC2)CC1 ZINC000843707540 595170519 /nfs/dbraw/zinc/17/05/19/595170519.db2.gz VUQSLQFVYDWNJW-IBGZPJMESA-N 1 2 325.456 1.847 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2csc(-c3cccnc3)n2)CC1 ZINC000101694523 595208400 /nfs/dbraw/zinc/20/84/00/595208400.db2.gz NMNXIQMYAHBUSX-UHFFFAOYSA-N 1 2 326.425 1.525 20 30 EDEDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ncc(C#N)cc1C ZINC000842964220 595245340 /nfs/dbraw/zinc/24/53/40/595245340.db2.gz AHUTVUYXQGDWAW-HIFRSBDPSA-N 1 2 333.388 1.154 20 30 EDEDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ncc(C#N)cc1C ZINC000842964220 595245344 /nfs/dbraw/zinc/24/53/44/595245344.db2.gz AHUTVUYXQGDWAW-HIFRSBDPSA-N 1 2 333.388 1.154 20 30 EDEDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(C#N)cc1C ZINC000842972640 595252035 /nfs/dbraw/zinc/25/20/35/595252035.db2.gz FGWPGVXLAGITMB-ZBFHGGJFSA-N 1 2 332.400 1.759 20 30 EDEDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(C#N)cc1C ZINC000842972640 595252037 /nfs/dbraw/zinc/25/20/37/595252037.db2.gz FGWPGVXLAGITMB-ZBFHGGJFSA-N 1 2 332.400 1.759 20 30 EDEDLO CCN1C[C@H](C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)OC1=O ZINC000846825830 595321849 /nfs/dbraw/zinc/32/18/49/595321849.db2.gz NJEVUBSFHQMTES-DLBZAZTESA-N 1 2 328.416 1.710 20 30 EDEDLO C[NH+](C)[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)c1ccc(Cl)cc1 ZINC000848131158 595323567 /nfs/dbraw/zinc/32/35/67/595323567.db2.gz ZNZJABRYSPCQMV-QWHCGFSZSA-N 1 2 325.796 1.439 20 30 EDEDLO C[N@@H+](Cc1nnnn1Cc1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844366298 595331302 /nfs/dbraw/zinc/33/13/02/595331302.db2.gz IHNLQDHDWRMQIF-SFHVURJKSA-N 1 2 348.410 1.758 20 30 EDEDLO C[N@H+](Cc1nnnn1Cc1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844366298 595331305 /nfs/dbraw/zinc/33/13/05/595331305.db2.gz IHNLQDHDWRMQIF-SFHVURJKSA-N 1 2 348.410 1.758 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(Cl)s3)ccc2=O)CC1 ZINC000844682355 595372152 /nfs/dbraw/zinc/37/21/52/595372152.db2.gz GXMJDQKBVFBWJG-UHFFFAOYSA-N 1 2 348.859 1.834 20 30 EDEDLO CCOC(=O)CC[N@H+](Cn1nc(CC#N)n(C)c1=S)C(C)C ZINC000848503796 595398124 /nfs/dbraw/zinc/39/81/24/595398124.db2.gz PZQOTBYQQXTQBC-UHFFFAOYSA-N 1 2 325.438 1.638 20 30 EDEDLO CCOC(=O)CC[N@@H+](Cn1nc(CC#N)n(C)c1=S)C(C)C ZINC000848503796 595398125 /nfs/dbraw/zinc/39/81/25/595398125.db2.gz PZQOTBYQQXTQBC-UHFFFAOYSA-N 1 2 325.438 1.638 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852759791 595531603 /nfs/dbraw/zinc/53/16/03/595531603.db2.gz VGXLYYFQHISKOS-UTUOFQBUSA-N 1 2 348.369 1.136 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852759791 595531606 /nfs/dbraw/zinc/53/16/06/595531606.db2.gz VGXLYYFQHISKOS-UTUOFQBUSA-N 1 2 348.369 1.136 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)CC1 ZINC000112920502 595569451 /nfs/dbraw/zinc/56/94/51/595569451.db2.gz VMMAJGBDPUHRLK-PBHICJAKSA-N 1 2 325.412 1.672 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000850994194 595697255 /nfs/dbraw/zinc/69/72/55/595697255.db2.gz BTTGIFJNEIHMKC-JKSUJKDBSA-N 1 2 346.431 1.455 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000850994194 595697257 /nfs/dbraw/zinc/69/72/57/595697257.db2.gz BTTGIFJNEIHMKC-JKSUJKDBSA-N 1 2 346.431 1.455 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000849961046 595703534 /nfs/dbraw/zinc/70/35/34/595703534.db2.gz HQQQDXWDPLEHQF-HNNXBMFYSA-N 1 2 328.372 1.781 20 30 EDEDLO CC(C)[C@H](NC(=O)CO[NH+]=C(N)CN1CCOCC1)c1ccccc1 ZINC000111181566 595712445 /nfs/dbraw/zinc/71/24/45/595712445.db2.gz MIJSGQGXWWOXGU-SFHVURJKSA-N 1 2 348.447 1.121 20 30 EDEDLO C=CC[N@H+](CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O)[C@H](C)COC ZINC000853535700 595789695 /nfs/dbraw/zinc/78/96/95/595789695.db2.gz ZVICFZDMEIKVCU-KGLIPLIRSA-N 1 2 341.452 1.592 20 30 EDEDLO C=CC[N@@H+](CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O)[C@H](C)COC ZINC000853535700 595789697 /nfs/dbraw/zinc/78/96/97/595789697.db2.gz ZVICFZDMEIKVCU-KGLIPLIRSA-N 1 2 341.452 1.592 20 30 EDEDLO NC(=[NH+]OC[C@@H]1COCCO1)c1ccc(OCc2cccnc2)cc1 ZINC000853660002 595848770 /nfs/dbraw/zinc/84/87/70/595848770.db2.gz YRQRYHRYQFQCHH-KRWDZBQOSA-N 1 2 343.383 1.713 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(Cl)c3c2C(=O)OC3)CC1 ZINC000853695682 595857512 /nfs/dbraw/zinc/85/75/12/595857512.db2.gz KEDOEKVRVWXVNN-UHFFFAOYSA-N 1 2 348.786 1.167 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000853853059 595901680 /nfs/dbraw/zinc/90/16/80/595901680.db2.gz QHEIHDWWHQMLRJ-CQSZACIVSA-N 1 2 337.445 1.344 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000859023434 595952982 /nfs/dbraw/zinc/95/29/82/595952982.db2.gz ZEPRALCNHDIHBZ-WMZOPIPTSA-N 1 2 344.459 1.898 20 30 EDEDLO C#C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCOCC1 ZINC000851949500 595982396 /nfs/dbraw/zinc/98/23/96/595982396.db2.gz FTEOPDQHNZIPAD-MRXNPFEDSA-N 1 2 330.432 1.490 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859357442 596062721 /nfs/dbraw/zinc/06/27/21/596062721.db2.gz PQFKIKRAYGTUGU-UHFFFAOYSA-N 1 2 335.448 1.411 20 30 EDEDLO C[C@@](O)(C[N@@H+]1CCC[C@@H](CC#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000852319423 596125270 /nfs/dbraw/zinc/12/52/70/596125270.db2.gz MFIGNJGPRXPWMU-WMLDXEAASA-N 1 2 336.457 1.923 20 30 EDEDLO C[C@@](O)(C[N@H+]1CCC[C@@H](CC#N)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000852319423 596125272 /nfs/dbraw/zinc/12/52/72/596125272.db2.gz MFIGNJGPRXPWMU-WMLDXEAASA-N 1 2 336.457 1.923 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000852489885 596180262 /nfs/dbraw/zinc/18/02/62/596180262.db2.gz IKASGYSLXCRUPP-XMMPIXPASA-N 1 2 343.456 1.449 20 30 EDEDLO N#C[C@@H](C(=O)C[N@@H+]1CCC2(COC2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000852683875 596226956 /nfs/dbraw/zinc/22/69/56/596226956.db2.gz UBWYZPFJQROPNB-ZDUSSCGKSA-N 1 2 338.367 1.234 20 30 EDEDLO N#C[C@@H](C(=O)C[N@H+]1CCC2(COC2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000852683875 596226959 /nfs/dbraw/zinc/22/69/59/596226959.db2.gz UBWYZPFJQROPNB-ZDUSSCGKSA-N 1 2 338.367 1.234 20 30 EDEDLO C#CCC[N@@H+](CCOC)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000852750346 596237818 /nfs/dbraw/zinc/23/78/18/596237818.db2.gz QUFWVHXWESHQII-UHFFFAOYSA-N 1 2 330.475 1.470 20 30 EDEDLO C#CCC[N@H+](CCOC)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000852750346 596237819 /nfs/dbraw/zinc/23/78/19/596237819.db2.gz QUFWVHXWESHQII-UHFFFAOYSA-N 1 2 330.475 1.470 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000862232479 596282164 /nfs/dbraw/zinc/28/21/64/596282164.db2.gz ZLFGYPLUVVSDHF-UHFFFAOYSA-N 1 2 341.390 1.368 20 30 EDEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868900450 596345692 /nfs/dbraw/zinc/34/56/92/596345692.db2.gz HYUUXGIFGYOYKL-PSQUURQMSA-N 1 2 325.412 1.940 20 30 EDEDLO C#CC[C@H]1CCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000862569125 596348182 /nfs/dbraw/zinc/34/81/82/596348182.db2.gz NPZGTVRANKULIA-HNNXBMFYSA-N 1 2 342.439 1.934 20 30 EDEDLO C#CC[C@H]1CCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000862569125 596348184 /nfs/dbraw/zinc/34/81/84/596348184.db2.gz NPZGTVRANKULIA-HNNXBMFYSA-N 1 2 342.439 1.934 20 30 EDEDLO C#CCC1(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CCCCC1 ZINC000862643309 596371539 /nfs/dbraw/zinc/37/15/39/596371539.db2.gz PFRAOLYWNMFRQC-FQEVSTJZSA-N 1 2 348.487 1.692 20 30 EDEDLO C#CCC1(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CCCCC1 ZINC000862643309 596371543 /nfs/dbraw/zinc/37/15/43/596371543.db2.gz PFRAOLYWNMFRQC-FQEVSTJZSA-N 1 2 348.487 1.692 20 30 EDEDLO N#Cc1ccccc1/C=C/C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871221353 596502457 /nfs/dbraw/zinc/50/24/57/596502457.db2.gz XHIDWRWARBHEOH-AATRIKPKSA-N 1 2 347.422 1.748 20 30 EDEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)CC2(C)COC2)c1=S ZINC000863296827 596541524 /nfs/dbraw/zinc/54/15/24/596541524.db2.gz PUXDFTSKHNOHEY-UHFFFAOYSA-N 1 2 346.460 1.983 20 30 EDEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)CC2(C)COC2)c1=S ZINC000863296827 596541527 /nfs/dbraw/zinc/54/15/27/596541527.db2.gz PUXDFTSKHNOHEY-UHFFFAOYSA-N 1 2 346.460 1.983 20 30 EDEDLO CCO[C@@H](CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000863456166 596590320 /nfs/dbraw/zinc/59/03/20/596590320.db2.gz ITOFSAOYKJLGRZ-SFHVURJKSA-N 1 2 347.459 1.971 20 30 EDEDLO C#CCOCCC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000863481429 596594136 /nfs/dbraw/zinc/59/41/36/596594136.db2.gz CYLNEPNCYGIPSE-UHFFFAOYSA-N 1 2 325.412 1.852 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)nc1 ZINC000871541629 596620369 /nfs/dbraw/zinc/62/03/69/596620369.db2.gz DEZSMYNVIHUKBT-UHFFFAOYSA-N 1 2 343.427 1.599 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC000865795960 596687510 /nfs/dbraw/zinc/68/75/10/596687510.db2.gz PBISEUUGPFKYPD-WKILWMFISA-N 1 2 349.475 1.847 20 30 EDEDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c(C#N)c1 ZINC000871806767 596704699 /nfs/dbraw/zinc/70/46/99/596704699.db2.gz GKDKYMAXFDGCQL-MRXNPFEDSA-N 1 2 342.424 1.597 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)S1 ZINC000865984802 596748130 /nfs/dbraw/zinc/74/81/30/596748130.db2.gz FAJZZGNVTDWJRL-INIZCTEOSA-N 1 2 336.461 1.332 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000874707612 597152590 /nfs/dbraw/zinc/15/25/90/597152590.db2.gz CPFBWLLNFLZIOF-QGZVFWFLSA-N 1 2 345.418 1.956 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000874707612 597152592 /nfs/dbraw/zinc/15/25/92/597152592.db2.gz CPFBWLLNFLZIOF-QGZVFWFLSA-N 1 2 345.418 1.956 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@H+](C)CC(=O)NCc1ccco1 ZINC000876544071 597234067 /nfs/dbraw/zinc/23/40/67/597234067.db2.gz QDNUBEQTMWKBPV-UHFFFAOYSA-N 1 2 326.400 1.965 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@@H+](C)CC(=O)NCc1ccco1 ZINC000876544071 597234069 /nfs/dbraw/zinc/23/40/69/597234069.db2.gz QDNUBEQTMWKBPV-UHFFFAOYSA-N 1 2 326.400 1.965 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2[nH]c1=S ZINC000877166054 597449854 /nfs/dbraw/zinc/44/98/54/597449854.db2.gz VCNBPQRLWOSTPW-RYUDHWBXSA-N 1 2 342.424 1.058 20 30 EDEDLO C#CC(C)(C)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000878132340 597580606 /nfs/dbraw/zinc/58/06/06/597580606.db2.gz SCNQCEWGWXMKQZ-UHFFFAOYSA-N 1 2 328.416 1.608 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1)C1CC1 ZINC000879497706 597608236 /nfs/dbraw/zinc/60/82/36/597608236.db2.gz GJFZLDDFJCSJLI-VQIMIIECSA-N 1 2 339.443 1.674 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1)C1CC1 ZINC000879497706 597608238 /nfs/dbraw/zinc/60/82/38/597608238.db2.gz GJFZLDDFJCSJLI-VQIMIIECSA-N 1 2 339.443 1.674 20 30 EDEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000879584953 597644543 /nfs/dbraw/zinc/64/45/43/597644543.db2.gz NVZRMBLBBUGNIQ-MRXNPFEDSA-N 1 2 326.444 1.939 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3ccc(O)c(Cl)c3)CC2)C1=O ZINC000879447161 597919175 /nfs/dbraw/zinc/91/91/75/597919175.db2.gz FUVPVFXHFIJYPF-INIZCTEOSA-N 1 2 349.862 1.950 20 30 EDEDLO C=CCN1CC[C@H](N2CC[NH+](Cc3cccc(OC)c3)CC2)C1=O ZINC000879448789 597920592 /nfs/dbraw/zinc/92/05/92/597920592.db2.gz BUIHELUSBVUQAR-SFHVURJKSA-N 1 2 329.444 1.600 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3cccc(OC)c3)CC2)C1=O ZINC000879448789 597920594 /nfs/dbraw/zinc/92/05/94/597920594.db2.gz BUIHELUSBVUQAR-SFHVURJKSA-N 1 2 329.444 1.600 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463224 597924586 /nfs/dbraw/zinc/92/45/86/597924586.db2.gz DIWMQKDUYRAXJP-AWEZNQCLSA-N 1 2 333.432 1.517 20 30 EDEDLO C#CCC1(O)CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC000880482577 597942490 /nfs/dbraw/zinc/94/24/90/597942490.db2.gz NKXCINZUNMVYTD-UHFFFAOYSA-N 1 2 342.486 1.349 20 30 EDEDLO C#C[C@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)C1CCOCC1 ZINC000882415016 597959770 /nfs/dbraw/zinc/95/97/70/597959770.db2.gz XHUJDUAJKOBYKD-KRWDZBQOSA-N 1 2 348.468 1.381 20 30 EDEDLO C#C[C@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)C1CCOCC1 ZINC000882415016 597959772 /nfs/dbraw/zinc/95/97/72/597959772.db2.gz XHUJDUAJKOBYKD-KRWDZBQOSA-N 1 2 348.468 1.381 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000884146953 598007808 /nfs/dbraw/zinc/00/78/08/598007808.db2.gz WGIKRNQREUNBPX-KCQAQPDRSA-N 1 2 326.437 1.391 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(F)cc1OC(F)F ZINC000884154444 598009558 /nfs/dbraw/zinc/00/95/58/598009558.db2.gz GWXDSYOZCIGOST-VIFPVBQESA-N 1 2 332.278 1.812 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cc(F)ccc1OC(F)F ZINC000884417091 598098454 /nfs/dbraw/zinc/09/84/54/598098454.db2.gz XUJGOQQKWCIVID-NSHDSACASA-N 1 2 346.305 1.490 20 30 EDEDLO C=CCC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060463942 695243336 /nfs/dbraw/zinc/24/33/36/695243336.db2.gz KTDMILDSSNAXJK-CQSZACIVSA-N 1 2 332.448 1.909 20 30 EDEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cn3)C2)c[nH]1 ZINC001007133824 695466274 /nfs/dbraw/zinc/46/62/74/695466274.db2.gz JBYIPIFZAQCPGC-OAHLLOKOSA-N 1 2 327.363 1.815 20 30 EDEDLO N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cn3)C2)c[nH]1 ZINC001007133824 695466275 /nfs/dbraw/zinc/46/62/75/695466275.db2.gz JBYIPIFZAQCPGC-OAHLLOKOSA-N 1 2 327.363 1.815 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)cn1 ZINC001060557944 695994563 /nfs/dbraw/zinc/99/45/63/695994563.db2.gz SXSGPFIIHBDJFX-AFAVFJNCSA-N 1 2 336.399 1.568 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000993492826 696196592 /nfs/dbraw/zinc/19/65/92/696196592.db2.gz SCSOVBBSXBQNJJ-GDIGMMSISA-N 1 2 344.459 1.861 20 30 EDEDLO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)sn1 ZINC001007154780 696306472 /nfs/dbraw/zinc/30/64/72/696306472.db2.gz ILPWLWMABSHPAZ-GFCCVEGCSA-N 1 2 345.428 1.746 20 30 EDEDLO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)sn1 ZINC001007154780 696306473 /nfs/dbraw/zinc/30/64/73/696306473.db2.gz ILPWLWMABSHPAZ-GFCCVEGCSA-N 1 2 345.428 1.746 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@@H]1C ZINC000993702086 696336151 /nfs/dbraw/zinc/33/61/51/696336151.db2.gz ILDHIXQETHCLMU-AAEUAGOBSA-N 1 2 348.838 1.699 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccnc3c2nnn3C)[C@@H]1C ZINC000993702086 696336154 /nfs/dbraw/zinc/33/61/54/696336154.db2.gz ILDHIXQETHCLMU-AAEUAGOBSA-N 1 2 348.838 1.699 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cncs3)[C@H]2C)nn1 ZINC000993942045 696471467 /nfs/dbraw/zinc/47/14/67/696471467.db2.gz BSSLDIMXODOLGY-JSGCOSHPSA-N 1 2 346.460 1.704 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cncs3)[C@H]2C)nn1 ZINC000993942045 696471469 /nfs/dbraw/zinc/47/14/69/696471469.db2.gz BSSLDIMXODOLGY-JSGCOSHPSA-N 1 2 346.460 1.704 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2cnon2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000994045554 696505148 /nfs/dbraw/zinc/50/51/48/696505148.db2.gz VLZXSQHAQSMBEI-GXFFZTMASA-N 1 2 331.401 1.786 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2cnon2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000994045554 696505149 /nfs/dbraw/zinc/50/51/49/696505149.db2.gz VLZXSQHAQSMBEI-GXFFZTMASA-N 1 2 331.401 1.786 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](CCCN2CCCC2=O)C1 ZINC001031313283 696641751 /nfs/dbraw/zinc/64/17/51/696641751.db2.gz HJUAETYECYPTCH-UHFFFAOYSA-N 1 2 339.439 1.023 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000154720420 697164761 /nfs/dbraw/zinc/16/47/61/697164761.db2.gz YLDCZJMNRMJZRS-UHFFFAOYSA-N 1 2 341.337 1.144 20 30 EDEDLO Cc1nnsc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031543511 697229812 /nfs/dbraw/zinc/22/98/12/697229812.db2.gz XFSKCYDEVZZXIZ-UHFFFAOYSA-N 1 2 326.425 1.560 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000994621596 697336255 /nfs/dbraw/zinc/33/62/55/697336255.db2.gz CTLALAHXTBEWSW-ZDUSSCGKSA-N 1 2 330.432 1.375 20 30 EDEDLO Cc1nc(C[NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)c(C)s1 ZINC001031620224 697339006 /nfs/dbraw/zinc/33/90/06/697339006.db2.gz DFIVDAFZJSWOTD-UHFFFAOYSA-N 1 2 329.429 1.822 20 30 EDEDLO N#Cc1cc(C(=O)NCC2C[NH+](Cc3cc(C4CC4)no3)C2)c[nH]1 ZINC001031622873 697352420 /nfs/dbraw/zinc/35/24/20/697352420.db2.gz LHCYURIPZLWMQA-UHFFFAOYSA-N 1 2 325.372 1.614 20 30 EDEDLO Cn1cc(Cl)c(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)n1 ZINC001031695488 697552508 /nfs/dbraw/zinc/55/25/08/697552508.db2.gz LSHILJQSOBUYRV-UHFFFAOYSA-N 1 2 343.818 1.807 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921323765 697564968 /nfs/dbraw/zinc/56/49/68/697564968.db2.gz NDZGMLMFQWKQEV-UONOGXRCSA-N 1 2 337.470 1.416 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921323765 697564970 /nfs/dbraw/zinc/56/49/70/697564970.db2.gz NDZGMLMFQWKQEV-UONOGXRCSA-N 1 2 337.470 1.416 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000921439661 697613973 /nfs/dbraw/zinc/61/39/73/697613973.db2.gz GYRPRTGGIVHITG-UHFFFAOYSA-N 1 2 337.401 1.279 20 30 EDEDLO C=CCn1cccc1C(=O)NCC1C[NH+](Cc2cnnn2CC)C1 ZINC001031733080 698196525 /nfs/dbraw/zinc/19/65/25/698196525.db2.gz LLDMBCULFACLEO-UHFFFAOYSA-N 1 2 328.420 1.147 20 30 EDEDLO C#CCOc1ccccc1NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000185103765 698951304 /nfs/dbraw/zinc/95/13/04/698951304.db2.gz YMUCCWYYRPHXSC-UHFFFAOYSA-N 1 2 348.362 1.601 20 30 EDEDLO Cc1[nH]c(=O)[nH]c1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031750875 698953300 /nfs/dbraw/zinc/95/33/00/698953300.db2.gz XYLYYLUWWGWSII-UHFFFAOYSA-N 1 2 342.374 1.276 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3nc(C)cs3)CC2)C1 ZINC000941487647 701555923 /nfs/dbraw/zinc/55/59/23/701555923.db2.gz PNCNBOZBEXDCHM-UHFFFAOYSA-N 1 2 346.500 1.236 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)cc(C)nc3C)CC2)C1 ZINC000941496846 701560004 /nfs/dbraw/zinc/56/00/04/701560004.db2.gz XQTCRNJSSWSFSU-UHFFFAOYSA-N 1 2 340.471 1.472 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)c(Cl)c3F)CC2)C1 ZINC000941500285 701561089 /nfs/dbraw/zinc/56/10/89/701561089.db2.gz PRPMKHATTGABDC-UHFFFAOYSA-N 1 2 349.837 1.863 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001031784964 699220247 /nfs/dbraw/zinc/22/02/47/699220247.db2.gz ZYQJZHZWQTUGLW-GOSISDBHSA-N 1 2 349.438 1.565 20 30 EDEDLO CO[C@@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001031790950 699245714 /nfs/dbraw/zinc/24/57/14/699245714.db2.gz FYIGFJQKKJUSCH-MAUKXSAKSA-N 1 2 327.428 1.921 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCO[C@@H](CC)C3)CC2)C1 ZINC000941632399 701600528 /nfs/dbraw/zinc/60/05/28/701600528.db2.gz DJZXGSUKKBKFJQ-HKUYNNGSSA-N 1 2 347.503 1.433 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]c4ncccc34)CC2)C1 ZINC000941665177 701619156 /nfs/dbraw/zinc/61/91/56/701619156.db2.gz DPHFIRAXYBMSRG-UHFFFAOYSA-N 1 2 337.427 1.028 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)c(F)c(C)c3)CC2)C1 ZINC000941668559 701622398 /nfs/dbraw/zinc/62/23/98/701622398.db2.gz PAPWJYWGPBLZRC-UHFFFAOYSA-N 1 2 343.446 1.908 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1 ZINC000940157912 700289362 /nfs/dbraw/zinc/28/93/62/700289362.db2.gz FICOMEVWBJUQCK-HNNXBMFYSA-N 1 2 347.488 1.106 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940157954 700289926 /nfs/dbraw/zinc/28/99/26/700289926.db2.gz HQPBCOLLCJWXFP-HNNXBMFYSA-N 1 2 347.488 1.106 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3ccccc3C)CC2)C1 ZINC000941682183 701626589 /nfs/dbraw/zinc/62/65/89/701626589.db2.gz HBMRGHJPYDYWPI-SFHVURJKSA-N 1 2 339.483 1.635 20 30 EDEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)CC1 ZINC000945503073 700379510 /nfs/dbraw/zinc/37/95/10/700379510.db2.gz UCRQQUAYTROKOY-RDJZCZTQSA-N 1 2 344.459 1.983 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)C1 ZINC000945550271 700467687 /nfs/dbraw/zinc/46/76/87/700467687.db2.gz PSBITVFNDTYWRM-UKRRQHHQSA-N 1 2 330.432 1.662 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cncc(OC)n3)C2)cc1 ZINC001031892293 700686209 /nfs/dbraw/zinc/68/62/09/700686209.db2.gz VTLRYXZPLHKNIW-UHFFFAOYSA-N 1 2 336.395 1.328 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000940720521 700869408 /nfs/dbraw/zinc/86/94/08/700869408.db2.gz YLKNRHHFEAGQAV-VYDXJSESSA-N 1 2 346.431 1.041 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000940720521 700869410 /nfs/dbraw/zinc/86/94/10/700869410.db2.gz YLKNRHHFEAGQAV-VYDXJSESSA-N 1 2 346.431 1.041 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000946033985 701364696 /nfs/dbraw/zinc/36/46/96/701364696.db2.gz IVGFNUDIUCDIGO-GOEBONIOSA-N 1 2 342.443 1.758 20 30 EDEDLO C[C@H](c1ccccc1F)[NH+]1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000941338749 701477347 /nfs/dbraw/zinc/47/73/47/701477347.db2.gz HHMGLCOWUBZDOD-LSDHHAIUSA-N 1 2 344.434 1.875 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3coc(C(C)(C)C)n3)CC2)C1 ZINC000941404296 701518646 /nfs/dbraw/zinc/51/86/46/701518646.db2.gz YCMXNHQAOCCPTE-UHFFFAOYSA-N 1 2 330.432 1.047 20 30 EDEDLO C=C1CCC(C(=O)NCC2C[NH+](CC(=O)NC3CCCC3)C2)CC1 ZINC001031952016 701542935 /nfs/dbraw/zinc/54/29/35/701542935.db2.gz UZISFPOZVIATLD-UHFFFAOYSA-N 1 2 333.476 1.840 20 30 EDEDLO Cn1ccc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001032187192 702367029 /nfs/dbraw/zinc/36/70/29/702367029.db2.gz IPILYWPCSSTYGW-UHFFFAOYSA-N 1 2 327.363 1.293 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC001031988567 702430663 /nfs/dbraw/zinc/43/06/63/702430663.db2.gz DMOVAIZVSXDTQF-XYPHTWIQSA-N 1 2 349.475 1.073 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)C[C@H]2C)cn1 ZINC000944215020 702545551 /nfs/dbraw/zinc/54/55/51/702545551.db2.gz PSOMELDJWOMFDC-WBMJQRKESA-N 1 2 325.372 1.086 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)C[C@H]2C)cn1 ZINC000944215020 702545555 /nfs/dbraw/zinc/54/55/55/702545555.db2.gz PSOMELDJWOMFDC-WBMJQRKESA-N 1 2 325.372 1.086 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000942364592 702874993 /nfs/dbraw/zinc/87/49/93/702874993.db2.gz HURLXNQMZFFCPA-ZIAGYGMSSA-N 1 2 330.432 1.662 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000942364592 702874996 /nfs/dbraw/zinc/87/49/96/702874996.db2.gz HURLXNQMZFFCPA-ZIAGYGMSSA-N 1 2 330.432 1.662 20 30 EDEDLO COCc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)no1 ZINC001032032508 703091057 /nfs/dbraw/zinc/09/10/57/703091057.db2.gz YAKFAYHBNLSJPB-UHFFFAOYSA-N 1 2 339.395 1.534 20 30 EDEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CC[NH+](Cc2cnon2)CC1 ZINC000997029811 703281234 /nfs/dbraw/zinc/28/12/34/703281234.db2.gz LFQTUPPLUGBPTP-LLVKDONJSA-N 1 2 328.376 1.300 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(OC)nn2)C1 ZINC001032046957 703291541 /nfs/dbraw/zinc/29/15/41/703291541.db2.gz KBMXXHGCWIYHAG-RDJZCZTQSA-N 1 2 346.431 1.014 20 30 EDEDLO C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067686751 703459791 /nfs/dbraw/zinc/45/97/91/703459791.db2.gz VWMPLOWMCQCVDA-CQSZACIVSA-N 1 2 336.436 1.159 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001060815081 703496093 /nfs/dbraw/zinc/49/60/93/703496093.db2.gz JCMZMQYJFZDBPA-UBHSHLNASA-N 1 2 331.420 1.212 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(C(CC)CC)C1 ZINC001032432543 703601030 /nfs/dbraw/zinc/60/10/30/703601030.db2.gz ZHPZIZCYVIMFBV-PVAVHDDUSA-N 1 2 331.460 1.332 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(C(CC)CC)C1 ZINC001032432543 703601032 /nfs/dbraw/zinc/60/10/32/703601032.db2.gz ZHPZIZCYVIMFBV-PVAVHDDUSA-N 1 2 331.460 1.332 20 30 EDEDLO C=C(Br)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1 ZINC001032438182 703607085 /nfs/dbraw/zinc/60/70/85/703607085.db2.gz KKGQXTDZHIWTPB-STQMWFEESA-N 1 2 339.237 1.536 20 30 EDEDLO C=C(Br)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]c[nH]1 ZINC001032438182 703607086 /nfs/dbraw/zinc/60/70/86/703607086.db2.gz KKGQXTDZHIWTPB-STQMWFEESA-N 1 2 339.237 1.536 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1NC(C)=O ZINC001032433567 703612432 /nfs/dbraw/zinc/61/24/32/703612432.db2.gz QANRPZREVOPVSX-GJZGRUSLSA-N 1 2 329.375 1.706 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1NC(C)=O ZINC001032433567 703612434 /nfs/dbraw/zinc/61/24/34/703612434.db2.gz QANRPZREVOPVSX-GJZGRUSLSA-N 1 2 329.375 1.706 20 30 EDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000921571389 703618682 /nfs/dbraw/zinc/61/86/82/703618682.db2.gz FHIGHMHHVKTTKJ-INIZCTEOSA-N 1 2 346.431 1.477 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nnc(C(F)F)s2)C(C)(C)C1 ZINC000995580351 704051441 /nfs/dbraw/zinc/05/14/41/704051441.db2.gz KPQKRMLODWWMAM-RKDXNWHRSA-N 1 2 343.403 1.962 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000999293347 706790838 /nfs/dbraw/zinc/79/08/38/706790838.db2.gz SCFMJNLBFPZMQW-CYBMUJFWSA-N 1 2 328.416 1.129 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nc(C(F)F)no2)C(C)(C)C1 ZINC000995587469 704551948 /nfs/dbraw/zinc/55/19/48/704551948.db2.gz ZJCAIEAPLFNBOB-DTWKUNHWSA-N 1 2 327.335 1.493 20 30 EDEDLO Cc1nc[nH]c1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032229703 704969917 /nfs/dbraw/zinc/96/99/17/704969917.db2.gz GGEPUFGICARQSX-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1conc1CC ZINC001032638330 706086991 /nfs/dbraw/zinc/08/69/91/706086991.db2.gz RDDISCNFOZRUJU-MPTYRVRUSA-N 1 2 331.416 1.613 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1conc1CC ZINC001032638330 706086993 /nfs/dbraw/zinc/08/69/93/706086993.db2.gz RDDISCNFOZRUJU-MPTYRVRUSA-N 1 2 331.416 1.613 20 30 EDEDLO C=C1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC000999113264 706539866 /nfs/dbraw/zinc/53/98/66/706539866.db2.gz PGYZNZOVIIEJHF-HZPDHXFCSA-N 1 2 342.443 1.597 20 30 EDEDLO CCO[C@@H](C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999117519 706543811 /nfs/dbraw/zinc/54/38/11/706543811.db2.gz OIYCHYAYVNOAQU-DZGCQCFKSA-N 1 2 346.431 1.661 20 30 EDEDLO C[C@H]([NH2+]Cc1cnsn1)[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001004806410 707311298 /nfs/dbraw/zinc/31/12/98/707311298.db2.gz FFICMWSNIZWSNE-NHYWBVRUSA-N 1 2 344.444 1.911 20 30 EDEDLO CN(C(=O)[C@@]1(F)CCOC1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033369196 707701633 /nfs/dbraw/zinc/70/16/33/707701633.db2.gz LXBJHLCQWURUNY-MAUKXSAKSA-N 1 2 349.381 1.859 20 30 EDEDLO CN(C(=O)[C@@]1(F)CCOC1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033369196 707701637 /nfs/dbraw/zinc/70/16/37/707701637.db2.gz LXBJHLCQWURUNY-MAUKXSAKSA-N 1 2 349.381 1.859 20 30 EDEDLO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001032724558 707705419 /nfs/dbraw/zinc/70/54/19/707705419.db2.gz ZYGRFRHZUMNPMJ-GJZGRUSLSA-N 1 2 340.431 1.675 20 30 EDEDLO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001032724558 707705422 /nfs/dbraw/zinc/70/54/22/707705422.db2.gz ZYGRFRHZUMNPMJ-GJZGRUSLSA-N 1 2 340.431 1.675 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3ncn(C)c3n2)C1 ZINC001033410702 707774867 /nfs/dbraw/zinc/77/48/67/707774867.db2.gz XOSYSZBZJLPUEG-LBPRGKRZSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3ncn(C)c3n2)C1 ZINC001033410702 707774872 /nfs/dbraw/zinc/77/48/72/707774872.db2.gz XOSYSZBZJLPUEG-LBPRGKRZSA-N 1 2 333.823 1.867 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1C#N ZINC001032759379 707868057 /nfs/dbraw/zinc/86/80/57/707868057.db2.gz KUUOILULKGINNR-OALUTQOASA-N 1 2 349.438 1.710 20 30 EDEDLO Cc1nc(NC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)ccc1C#N ZINC001060954272 708044415 /nfs/dbraw/zinc/04/44/15/708044415.db2.gz DLYLHGFFVCFHAQ-HNNXBMFYSA-N 1 2 338.415 1.809 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001061663063 708104903 /nfs/dbraw/zinc/10/49/03/708104903.db2.gz GHISETYKGWFJDV-GOEBONIOSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001061663063 708104907 /nfs/dbraw/zinc/10/49/07/708104907.db2.gz GHISETYKGWFJDV-GOEBONIOSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001033569299 708270444 /nfs/dbraw/zinc/27/04/44/708270444.db2.gz UAVVHUCTDQXPRJ-KBPBESRZSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001033569299 708270447 /nfs/dbraw/zinc/27/04/47/708270447.db2.gz UAVVHUCTDQXPRJ-KBPBESRZSA-N 1 2 327.856 1.530 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnnn3CC)C2)cn1 ZINC001033599941 708318896 /nfs/dbraw/zinc/31/88/96/708318896.db2.gz UTLBOFFWXOSYCG-MRXNPFEDSA-N 1 2 338.415 1.021 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnnn3CC)C2)cn1 ZINC001033599941 708318897 /nfs/dbraw/zinc/31/88/97/708318897.db2.gz UTLBOFFWXOSYCG-MRXNPFEDSA-N 1 2 338.415 1.021 20 30 EDEDLO CN(C(=O)c1ccn(C)n1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033656200 708425393 /nfs/dbraw/zinc/42/53/93/708425393.db2.gz NRSGOBZTRUBAER-OAHLLOKOSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1ccn(C)n1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033656200 708425394 /nfs/dbraw/zinc/42/53/94/708425394.db2.gz NRSGOBZTRUBAER-OAHLLOKOSA-N 1 2 341.390 1.777 20 30 EDEDLO Cc1conc1C[NH+]1CCC(N(C)C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001005261941 708426036 /nfs/dbraw/zinc/42/60/36/708426036.db2.gz XLXQLDFZQORTOO-UHFFFAOYSA-N 1 2 327.388 1.919 20 30 EDEDLO N#Cc1cncc(N2CC[C@H](CNC(=O)c3cccc4[nH+]ccn43)C2)n1 ZINC001061681398 708447783 /nfs/dbraw/zinc/44/77/83/708447783.db2.gz XYQLIQIDXVLSKA-CYBMUJFWSA-N 1 2 347.382 1.252 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC001033672092 708463501 /nfs/dbraw/zinc/46/35/01/708463501.db2.gz MXESTSIOEZHJTB-ZDUSSCGKSA-N 1 2 326.238 1.999 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC001033672092 708463504 /nfs/dbraw/zinc/46/35/04/708463504.db2.gz MXESTSIOEZHJTB-ZDUSSCGKSA-N 1 2 326.238 1.999 20 30 EDEDLO Cc1cnc(C[NH+]2CCC(N(C)C(=O)c3c[nH]c(C#N)c3)CC2)nc1 ZINC001005277074 708505938 /nfs/dbraw/zinc/50/59/38/708505938.db2.gz XRHNOZHZSMBXAQ-UHFFFAOYSA-N 1 2 338.415 1.721 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001033786596 708695762 /nfs/dbraw/zinc/69/57/62/708695762.db2.gz XEMWKJGNZCHEMH-MRXNPFEDSA-N 1 2 340.431 1.839 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001033786596 708695764 /nfs/dbraw/zinc/69/57/64/708695764.db2.gz XEMWKJGNZCHEMH-MRXNPFEDSA-N 1 2 340.431 1.839 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033802558 708796325 /nfs/dbraw/zinc/79/63/25/708796325.db2.gz XAOXZSRKGZDLRV-HNNXBMFYSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033802558 708796329 /nfs/dbraw/zinc/79/63/29/708796329.db2.gz XAOXZSRKGZDLRV-HNNXBMFYSA-N 1 2 327.388 1.919 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001033834438 708861427 /nfs/dbraw/zinc/86/14/27/708861427.db2.gz GKHVDECIZAIKLP-GUTXKFCHSA-N 1 2 343.265 1.854 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001033834438 708861430 /nfs/dbraw/zinc/86/14/30/708861430.db2.gz GKHVDECIZAIKLP-GUTXKFCHSA-N 1 2 343.265 1.854 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2cnns2)CC1 ZINC001002412370 708920016 /nfs/dbraw/zinc/92/00/16/708920016.db2.gz PVCVSIHEIZTUCN-UHFFFAOYSA-N 1 2 345.403 1.943 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnc3n[nH]nc32)C1 ZINC001033893975 709009395 /nfs/dbraw/zinc/00/93/95/709009395.db2.gz CRHTYTHAVMWACK-LLVKDONJSA-N 1 2 334.811 1.642 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnc3n[nH]nc32)C1 ZINC001033893975 709009398 /nfs/dbraw/zinc/00/93/98/709009398.db2.gz CRHTYTHAVMWACK-LLVKDONJSA-N 1 2 334.811 1.642 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H](Nc2cnc(C#N)cn2)C1 ZINC001061098683 709071267 /nfs/dbraw/zinc/07/12/67/709071267.db2.gz PYYJAGMTZTYKKM-CHWSQXEVSA-N 1 2 339.403 1.462 20 30 EDEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3cnnn3C)C2)cc1 ZINC001033921532 709074403 /nfs/dbraw/zinc/07/44/03/709074403.db2.gz BOEBZMBFSYHRSV-QGZVFWFLSA-N 1 2 337.427 1.533 20 30 EDEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3cnnn3C)C2)cc1 ZINC001033921532 709074406 /nfs/dbraw/zinc/07/44/06/709074406.db2.gz BOEBZMBFSYHRSV-QGZVFWFLSA-N 1 2 337.427 1.533 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001034013399 709227088 /nfs/dbraw/zinc/22/70/88/709227088.db2.gz CKPVTZMTEYQHHE-LSDHHAIUSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCCN(C)C2=O)C1 ZINC001034013399 709227089 /nfs/dbraw/zinc/22/70/89/709227089.db2.gz CKPVTZMTEYQHHE-LSDHHAIUSA-N 1 2 341.883 1.920 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)C2)nn1 ZINC001061136051 709343995 /nfs/dbraw/zinc/34/39/95/709343995.db2.gz KFTAQBXVYXYEAQ-KBPBESRZSA-N 1 2 341.419 1.716 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001034117790 709380206 /nfs/dbraw/zinc/38/02/06/709380206.db2.gz PUULRPCNZLSMDO-NSHDSACASA-N 1 2 327.226 1.903 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001034117790 709380207 /nfs/dbraw/zinc/38/02/07/709380207.db2.gz PUULRPCNZLSMDO-NSHDSACASA-N 1 2 327.226 1.903 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001002783014 709389075 /nfs/dbraw/zinc/38/90/75/709389075.db2.gz VCGLVFLBVOLRAD-OAHLLOKOSA-N 1 2 344.459 1.622 20 30 EDEDLO Cc1conc1C[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171602 709486029 /nfs/dbraw/zinc/48/60/29/709486029.db2.gz VFXVAINKCYXPPK-CQSZACIVSA-N 1 2 327.388 1.967 20 30 EDEDLO Cc1conc1C[N@H+]1CCCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171602 709486032 /nfs/dbraw/zinc/48/60/32/709486032.db2.gz VFXVAINKCYXPPK-CQSZACIVSA-N 1 2 327.388 1.967 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001034288284 709710997 /nfs/dbraw/zinc/71/09/97/709710997.db2.gz IDJCAQOTQBHVEM-LBPRGKRZSA-N 1 2 348.834 1.913 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001034288284 709711000 /nfs/dbraw/zinc/71/10/00/709711000.db2.gz IDJCAQOTQBHVEM-LBPRGKRZSA-N 1 2 348.834 1.913 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001034339629 709802397 /nfs/dbraw/zinc/80/23/97/709802397.db2.gz JRRLVFLJYHGRDO-RYUDHWBXSA-N 1 2 344.253 1.002 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001034339629 709802401 /nfs/dbraw/zinc/80/24/01/709802401.db2.gz JRRLVFLJYHGRDO-RYUDHWBXSA-N 1 2 344.253 1.002 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nnc(C)o2)C1 ZINC001034438865 710015039 /nfs/dbraw/zinc/01/50/39/710015039.db2.gz KLSWOPKTHCYRIS-ZOBUZTSGSA-N 1 2 348.447 1.830 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nnc(C)o2)C1 ZINC001034438865 710015041 /nfs/dbraw/zinc/01/50/41/710015041.db2.gz KLSWOPKTHCYRIS-ZOBUZTSGSA-N 1 2 348.447 1.830 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nccn2C)C1 ZINC001034442595 710021484 /nfs/dbraw/zinc/02/14/84/710021484.db2.gz QUPMTBYGBODLOK-RYRKJORJSA-N 1 2 346.475 1.872 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nccn2C)C1 ZINC001034442595 710021488 /nfs/dbraw/zinc/02/14/88/710021488.db2.gz QUPMTBYGBODLOK-RYRKJORJSA-N 1 2 346.475 1.872 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC001003209715 710120561 /nfs/dbraw/zinc/12/05/61/710120561.db2.gz JJVAXPYTRNCCEK-UHFFFAOYSA-N 1 2 348.366 1.036 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)CCc3c[nH]c[nH+]3)C2)cc1 ZINC001003536720 710406739 /nfs/dbraw/zinc/40/67/39/710406739.db2.gz WOUDSYIZMZBQCB-UHFFFAOYSA-N 1 2 336.395 1.212 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)CCc3c[nH+]c[nH]3)C2)cc1 ZINC001003536720 710406740 /nfs/dbraw/zinc/40/67/40/710406740.db2.gz WOUDSYIZMZBQCB-UHFFFAOYSA-N 1 2 336.395 1.212 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC001032916317 710733590 /nfs/dbraw/zinc/73/35/90/710733590.db2.gz AZODELUSBVKBOW-OLZOCXBDSA-N 1 2 331.254 1.997 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC001032916317 710733591 /nfs/dbraw/zinc/73/35/91/710733591.db2.gz AZODELUSBVKBOW-OLZOCXBDSA-N 1 2 331.254 1.997 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC001032916319 710733752 /nfs/dbraw/zinc/73/37/52/710733752.db2.gz AZODELUSBVKBOW-STQMWFEESA-N 1 2 331.254 1.997 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCO2)C1 ZINC001032916319 710733754 /nfs/dbraw/zinc/73/37/54/710733754.db2.gz AZODELUSBVKBOW-STQMWFEESA-N 1 2 331.254 1.997 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N(C)C(=O)c3scnc3C)C2)C1=O ZINC001032933596 710887036 /nfs/dbraw/zinc/88/70/36/710887036.db2.gz ZFZHDEMDXKSCJO-KGLIPLIRSA-N 1 2 348.472 1.385 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](N(C)C(=O)c3scnc3C)C2)C1=O ZINC001032933596 710887043 /nfs/dbraw/zinc/88/70/43/710887043.db2.gz ZFZHDEMDXKSCJO-KGLIPLIRSA-N 1 2 348.472 1.385 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](N(C)C(=O)c3cnc(C)s3)C2)C1=O ZINC001032953711 710935143 /nfs/dbraw/zinc/93/51/43/710935143.db2.gz ZZAMCNBBPGKKMW-ZIAGYGMSSA-N 1 2 348.472 1.385 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N(C)C(=O)c3cnc(C)s3)C2)C1=O ZINC001032953711 710935144 /nfs/dbraw/zinc/93/51/44/710935144.db2.gz ZZAMCNBBPGKKMW-ZIAGYGMSSA-N 1 2 348.472 1.385 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3nc(C)no3)CC2)nc1 ZINC001003997650 711233782 /nfs/dbraw/zinc/23/37/82/711233782.db2.gz HCUWXAFAEIHLBT-LBPRGKRZSA-N 1 2 339.399 1.710 20 30 EDEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033021106 711323256 /nfs/dbraw/zinc/32/32/56/711323256.db2.gz VDILDGBCPOROTA-MRXNPFEDSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033021106 711323259 /nfs/dbraw/zinc/32/32/59/711323259.db2.gz VDILDGBCPOROTA-MRXNPFEDSA-N 1 2 327.363 1.767 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](N(C)C(=O)c3ccns3)C2)C1=O ZINC001033128512 711879495 /nfs/dbraw/zinc/87/94/95/711879495.db2.gz SSBYBHFAYBFDAY-STQMWFEESA-N 1 2 334.445 1.076 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](N(C)C(=O)c3ccns3)C2)C1=O ZINC001033128512 711879497 /nfs/dbraw/zinc/87/94/97/711879497.db2.gz SSBYBHFAYBFDAY-STQMWFEESA-N 1 2 334.445 1.076 20 30 EDEDLO CN1C(=O)CC[C@H]1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004508864 711898538 /nfs/dbraw/zinc/89/85/38/711898538.db2.gz VIGPMEIHQMQYAF-JKSUJKDBSA-N 1 2 332.448 1.224 20 30 EDEDLO CN1C(=O)CC[C@H]1CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004508864 711898540 /nfs/dbraw/zinc/89/85/40/711898540.db2.gz VIGPMEIHQMQYAF-JKSUJKDBSA-N 1 2 332.448 1.224 20 30 EDEDLO COc1cc(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)ccn1 ZINC001004548624 711959555 /nfs/dbraw/zinc/95/95/55/711959555.db2.gz SCZZZTIWINARSR-KRWDZBQOSA-N 1 2 342.443 1.859 20 30 EDEDLO COc1cc(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)ccn1 ZINC001004548624 711959557 /nfs/dbraw/zinc/95/95/57/711959557.db2.gz SCZZZTIWINARSR-KRWDZBQOSA-N 1 2 342.443 1.859 20 30 EDEDLO COCc1nc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)co1 ZINC001004592156 712029787 /nfs/dbraw/zinc/02/97/87/712029787.db2.gz LKXYEAURRZCQPV-HNNXBMFYSA-N 1 2 332.404 1.661 20 30 EDEDLO COCc1nc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)co1 ZINC001004592156 712029789 /nfs/dbraw/zinc/02/97/89/712029789.db2.gz LKXYEAURRZCQPV-HNNXBMFYSA-N 1 2 332.404 1.661 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000369262278 282095967 /nfs/dbraw/zinc/09/59/67/282095967.db2.gz AGIJPVAKBXTXFS-QGZVFWFLSA-N 1 2 335.411 1.993 20 30 EDEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000129875641 529897791 /nfs/dbraw/zinc/89/77/91/529897791.db2.gz OXWCDLXUOMTAIX-UHFFFAOYSA-N 1 2 329.335 1.381 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000329166899 539418501 /nfs/dbraw/zinc/41/85/01/539418501.db2.gz ICLCRKKCTNPKLT-GDBMZVCRSA-N 1 2 336.480 1.227 20 30 EDEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NCC2(C)COC2)cc1 ZINC000329432441 539436158 /nfs/dbraw/zinc/43/61/58/539436158.db2.gz KOLZYGXZWSQEGX-QGZVFWFLSA-N 1 2 347.459 1.908 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000066472675 215044429 /nfs/dbraw/zinc/04/44/29/215044429.db2.gz CVOVAVWXGGTNJR-MRXNPFEDSA-N 1 2 331.441 1.973 20 30 EDEDLO N#CCC1(CS(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000333759436 539652860 /nfs/dbraw/zinc/65/28/60/539652860.db2.gz ZKJJXCMWHOFHKE-UHFFFAOYSA-N 1 2 339.486 1.889 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1C#N ZINC000075939526 138244465 /nfs/dbraw/zinc/24/44/65/138244465.db2.gz AZWOCAGGKCEHLO-NSHDSACASA-N 1 2 334.445 1.985 20 30 EDEDLO N#Cc1cccc(-n2ccc(C(=O)N[C@@H]3CCc4[nH+]ccn4C3)n2)c1 ZINC000369161752 283202105 /nfs/dbraw/zinc/20/21/05/283202105.db2.gz FTTFZIPOMFVYCL-CQSZACIVSA-N 1 2 332.367 1.685 20 30 EDEDLO N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cn1 ZINC000359850202 283217451 /nfs/dbraw/zinc/21/74/51/283217451.db2.gz VXXCIULGFNDUQS-LBPRGKRZSA-N 1 2 333.355 1.537 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)NCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000124035339 138323308 /nfs/dbraw/zinc/32/33/08/138323308.db2.gz CNCJYEKCYCTHKA-UHFFFAOYSA-N 1 2 348.334 1.963 20 30 EDEDLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000124390618 138326258 /nfs/dbraw/zinc/32/62/58/138326258.db2.gz JYNJNXHKAXDNHN-UHFFFAOYSA-N 1 2 339.428 1.619 20 30 EDEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCC[NH+]2CCSCC2)c1 ZINC000228884173 139023673 /nfs/dbraw/zinc/02/36/73/139023673.db2.gz ZCSJOYSOYNSHPQ-UHFFFAOYSA-N 1 2 345.877 1.539 20 30 EDEDLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000111345691 220141908 /nfs/dbraw/zinc/14/19/08/220141908.db2.gz TVMOLHKNGYZHKJ-UHFFFAOYSA-N 1 2 341.408 1.040 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000341852315 250000958 /nfs/dbraw/zinc/00/09/58/250000958.db2.gz XXZFCOQWUJQRIP-ZIAGYGMSSA-N 1 2 334.464 1.979 20 30 EDEDLO Cn1nccc1[C@@H]1[C@H]([NH2+]C[C@H](C#N)CCC#N)CC(=O)N1C1CC1 ZINC000346718216 250044914 /nfs/dbraw/zinc/04/49/14/250044914.db2.gz XGRSTMIOWJCWIY-QEORTHHSSA-N 1 2 326.404 1.258 20 30 EDEDLO C[C@H](C#N)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000345239860 250026612 /nfs/dbraw/zinc/02/66/12/250026612.db2.gz QTIFPWUOESRBRE-GFCCVEGCSA-N 1 2 327.388 1.536 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N(CCn2c(C)[nH+]c3ccccc32)C1=O ZINC000348494395 250056328 /nfs/dbraw/zinc/05/63/28/250056328.db2.gz LJLXOGMVVFOIBA-AWEZNQCLSA-N 1 2 328.372 1.468 20 30 EDEDLO COCC1(C#N)CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000354348458 250086930 /nfs/dbraw/zinc/08/69/30/250086930.db2.gz MKAZIUQFZCKUAL-UHFFFAOYSA-N 1 2 327.388 1.796 20 30 EDEDLO C=C(C)COCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000354425157 250089469 /nfs/dbraw/zinc/08/94/69/250089469.db2.gz UFVWKGBURQCUJJ-UHFFFAOYSA-N 1 2 342.443 1.978 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C#N)c1ccccc1Cl ZINC000354512859 250091506 /nfs/dbraw/zinc/09/15/06/250091506.db2.gz ORAZDTAUMOBWIW-CQSZACIVSA-N 1 2 336.823 1.477 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C#N)c1ccccc1Cl ZINC000354512859 250091511 /nfs/dbraw/zinc/09/15/11/250091511.db2.gz ORAZDTAUMOBWIW-CQSZACIVSA-N 1 2 336.823 1.477 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1nnc2ccccn21 ZINC000355280813 250110069 /nfs/dbraw/zinc/11/00/69/250110069.db2.gz PQGGIMRCMMLFGR-IIYDPXPESA-N 1 2 328.420 1.823 20 30 EDEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000358704352 250143424 /nfs/dbraw/zinc/14/34/24/250143424.db2.gz MDNXXWDLPGXGMX-CHWSQXEVSA-N 1 2 339.386 1.775 20 30 EDEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000358704352 250143426 /nfs/dbraw/zinc/14/34/26/250143426.db2.gz MDNXXWDLPGXGMX-CHWSQXEVSA-N 1 2 339.386 1.775 20 30 EDEDLO Cc1cccc2[nH+]c(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cn21 ZINC000362720641 250183744 /nfs/dbraw/zinc/18/37/44/250183744.db2.gz YKTJCLWIVHVRBG-INIZCTEOSA-N 1 2 338.415 1.525 20 30 EDEDLO C#CCN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1CCCC1 ZINC000367990096 250198777 /nfs/dbraw/zinc/19/87/77/250198777.db2.gz ZUVFNJWPUAGQMC-UHFFFAOYSA-N 1 2 345.447 1.625 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000373215390 250234511 /nfs/dbraw/zinc/23/45/11/250234511.db2.gz IUTXANNBNQSJBC-SJORKVTESA-N 1 2 338.496 1.389 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374292007 250259240 /nfs/dbraw/zinc/25/92/40/250259240.db2.gz MMEZMGXFOPADCO-GOSISDBHSA-N 1 2 339.443 1.993 20 30 EDEDLO C#CC[C@H](C)NC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000376227360 250285986 /nfs/dbraw/zinc/28/59/86/250285986.db2.gz QMSBKOBYBILPCT-BLLLJJGKSA-N 1 2 339.399 1.237 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488748942 255052015 /nfs/dbraw/zinc/05/20/15/255052015.db2.gz QKQAIWVYZXZVAO-HOTGVXAUSA-N 1 2 349.479 1.072 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488748942 255052016 /nfs/dbraw/zinc/05/20/16/255052016.db2.gz QKQAIWVYZXZVAO-HOTGVXAUSA-N 1 2 349.479 1.072 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000490605349 255094266 /nfs/dbraw/zinc/09/42/66/255094266.db2.gz PZGSICHPQSYRGZ-HUUCEWRRSA-N 1 2 343.427 1.122 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000490605349 255094268 /nfs/dbraw/zinc/09/42/68/255094268.db2.gz PZGSICHPQSYRGZ-HUUCEWRRSA-N 1 2 343.427 1.122 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCCCO2)CC1 ZINC000491067531 255118085 /nfs/dbraw/zinc/11/80/85/255118085.db2.gz IYKKIMOEQGISOP-KRWDZBQOSA-N 1 2 343.475 1.555 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000490657694 255098158 /nfs/dbraw/zinc/09/81/58/255098158.db2.gz ZKKSHKPNGFPYNW-SJORKVTESA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000490657694 255098160 /nfs/dbraw/zinc/09/81/60/255098160.db2.gz ZKKSHKPNGFPYNW-SJORKVTESA-N 1 2 333.476 1.487 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(NC(=O)OCC)c2)CC1 ZINC000491704071 255143546 /nfs/dbraw/zinc/14/35/46/255143546.db2.gz HDMOAHAOTNHYGK-UHFFFAOYSA-N 1 2 345.399 1.411 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494033636 255232685 /nfs/dbraw/zinc/23/26/85/255232685.db2.gz NIJTXZCXZZLKHJ-AWEZNQCLSA-N 1 2 331.372 1.472 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494033636 255232686 /nfs/dbraw/zinc/23/26/86/255232686.db2.gz NIJTXZCXZZLKHJ-AWEZNQCLSA-N 1 2 331.372 1.472 20 30 EDEDLO C#CC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000494695888 255258826 /nfs/dbraw/zinc/25/88/26/255258826.db2.gz YYVSFBVIVVFPDA-KGLIPLIRSA-N 1 2 338.452 1.249 20 30 EDEDLO C#CC[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000494695888 255258827 /nfs/dbraw/zinc/25/88/27/255258827.db2.gz YYVSFBVIVVFPDA-KGLIPLIRSA-N 1 2 338.452 1.249 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)O[C@@]2(CCc3ccccc32)C1=O ZINC000496075003 255349565 /nfs/dbraw/zinc/34/95/65/255349565.db2.gz FFXUUTUJFIJWSZ-RDTXWAMCSA-N 1 2 343.383 1.013 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)O[C@@]2(CCc3ccccc32)C1=O ZINC000496075003 255349566 /nfs/dbraw/zinc/34/95/66/255349566.db2.gz FFXUUTUJFIJWSZ-RDTXWAMCSA-N 1 2 343.383 1.013 20 30 EDEDLO C[C@@H](C(=O)N[C@@H](C#N)C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117797256 221089886 /nfs/dbraw/zinc/08/98/86/221089886.db2.gz KFPVAWNSDNBYQD-GUYCJALGSA-N 1 2 330.407 1.755 20 30 EDEDLO C[C@@H](NC(=O)CSc1ccc(C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000264272916 139392205 /nfs/dbraw/zinc/39/22/05/139392205.db2.gz NUMXRLZSTBNECK-ZIAGYGMSSA-N 1 2 333.457 1.876 20 30 EDEDLO N#Cc1ccc(CC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000264325689 139397364 /nfs/dbraw/zinc/39/73/64/139397364.db2.gz RIDTWBKGNRVDEC-UHFFFAOYSA-N 1 2 339.399 1.268 20 30 EDEDLO COc1ccc(C[NH+]2CCN(C(=O)CN(C)CCC#N)CC2)cc1 ZINC000177182372 533559803 /nfs/dbraw/zinc/55/98/03/533559803.db2.gz AFLQTPBOOYIAPT-UHFFFAOYSA-N 1 2 330.432 1.185 20 30 EDEDLO N#Cc1ccc(CNC(=O)CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000271049562 140227098 /nfs/dbraw/zinc/22/70/98/140227098.db2.gz WMJFDAASQQMUCN-UHFFFAOYSA-N 1 2 349.438 1.387 20 30 EDEDLO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](F)C[C@@H]2C(N)=O)cc1Cl ZINC000346060020 143162905 /nfs/dbraw/zinc/16/29/05/143162905.db2.gz FFLBBDGTZCMWRQ-ZWNOBZJWSA-N 1 2 338.770 1.438 20 30 EDEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](F)C[C@@H]2C(N)=O)cc1Cl ZINC000346060020 143162906 /nfs/dbraw/zinc/16/29/06/143162906.db2.gz FFLBBDGTZCMWRQ-ZWNOBZJWSA-N 1 2 338.770 1.438 20 30 EDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000369681503 155134225 /nfs/dbraw/zinc/13/42/25/155134225.db2.gz MNWWRYATFMUZSA-UHFFFAOYSA-N 1 2 337.383 1.830 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c[nH]1 ZINC000355458187 150276448 /nfs/dbraw/zinc/27/64/48/150276448.db2.gz QVVFHIZQJSRZIK-UHFFFAOYSA-N 1 2 325.372 1.390 20 30 EDEDLO COc1cc(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)ccc1C#N ZINC000357665101 151108409 /nfs/dbraw/zinc/10/84/09/151108409.db2.gz NRDMUHAGTAEXBM-ZDUSSCGKSA-N 1 2 332.404 1.087 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000360402936 152022642 /nfs/dbraw/zinc/02/26/42/152022642.db2.gz YGABFZPMXLHWLQ-UKRRQHHQSA-N 1 2 341.367 1.075 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000360402936 152022647 /nfs/dbraw/zinc/02/26/47/152022647.db2.gz YGABFZPMXLHWLQ-UKRRQHHQSA-N 1 2 341.367 1.075 20 30 EDEDLO N#Cc1ccsc1C(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000363619807 153014886 /nfs/dbraw/zinc/01/48/86/153014886.db2.gz JNUBKIRQFCDTOI-UHFFFAOYSA-N 1 2 346.456 1.566 20 30 EDEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000364740819 153320015 /nfs/dbraw/zinc/32/00/15/153320015.db2.gz SHSAZDBJMSEDBT-FUHWJXTLSA-N 1 2 349.394 1.795 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000370235098 155392795 /nfs/dbraw/zinc/39/27/95/155392795.db2.gz HHGBWLKWMRNNSP-QGZVFWFLSA-N 1 2 341.411 1.763 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cnnn3-c3ccccc3)CC2)cn1 ZINC000367355957 154087154 /nfs/dbraw/zinc/08/71/54/154087154.db2.gz IFLHTLZOOYXNTP-UHFFFAOYSA-N 1 2 345.410 1.856 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)COCC(F)(F)F)CCO2)c1 ZINC000367779253 154267228 /nfs/dbraw/zinc/26/72/28/154267228.db2.gz NAAQCSWAUMMOSM-LSDHHAIUSA-N 1 2 344.333 1.871 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)COCC(F)(F)F)CCO2)c1 ZINC000367779253 154267233 /nfs/dbraw/zinc/26/72/33/154267233.db2.gz NAAQCSWAUMMOSM-LSDHHAIUSA-N 1 2 344.333 1.871 20 30 EDEDLO N#Cc1cnccc1N1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000372233049 156280848 /nfs/dbraw/zinc/28/08/48/156280848.db2.gz RKFMKYHSEUIKCS-LJQANCHMSA-N 1 2 347.422 1.881 20 30 EDEDLO C[N@H+](CCN1CCCC1=O)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000112703621 287341093 /nfs/dbraw/zinc/34/10/93/287341093.db2.gz XXGGZCFYEJWUAK-UHFFFAOYSA-N 1 2 334.807 1.704 20 30 EDEDLO C[N@@H+](CCN1CCCC1=O)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000112703621 287341094 /nfs/dbraw/zinc/34/10/94/287341094.db2.gz XXGGZCFYEJWUAK-UHFFFAOYSA-N 1 2 334.807 1.704 20 30 EDEDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000160307862 225385122 /nfs/dbraw/zinc/38/51/22/225385122.db2.gz AHNKUUPWCNBUCE-UHFFFAOYSA-N 1 2 339.436 1.943 20 30 EDEDLO CCN(CC)C(=O)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000153621318 287629250 /nfs/dbraw/zinc/62/92/50/287629250.db2.gz UBSCXJKPZLKLDO-KRWDZBQOSA-N 1 2 342.443 1.665 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000296068909 270011244 /nfs/dbraw/zinc/01/12/44/270011244.db2.gz PISXHGMBNHEWNN-GFCCVEGCSA-N 1 2 325.409 1.553 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000296068909 270011245 /nfs/dbraw/zinc/01/12/45/270011245.db2.gz PISXHGMBNHEWNN-GFCCVEGCSA-N 1 2 325.409 1.553 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281022098 266277059 /nfs/dbraw/zinc/27/70/59/266277059.db2.gz VVJYCQIXELZYLH-SFHVURJKSA-N 1 2 340.427 1.421 20 30 EDEDLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292165884 267142769 /nfs/dbraw/zinc/14/27/69/267142769.db2.gz LLBPFKWIASWXRE-YPMHNXCESA-N 1 2 343.412 1.890 20 30 EDEDLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292165884 267142772 /nfs/dbraw/zinc/14/27/72/267142772.db2.gz LLBPFKWIASWXRE-YPMHNXCESA-N 1 2 343.412 1.890 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H](C)[NH+]1C ZINC000339074012 267236188 /nfs/dbraw/zinc/23/61/88/267236188.db2.gz HXJDCRKONTUUJS-QWRGUYRKSA-N 1 2 327.837 1.925 20 30 EDEDLO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1S(N)(=O)=O ZINC000432992208 267314957 /nfs/dbraw/zinc/31/49/57/267314957.db2.gz NEHWYMOXZBEFCA-UHFFFAOYSA-N 1 2 333.388 1.977 20 30 EDEDLO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1S(N)(=O)=O ZINC000432992208 267314959 /nfs/dbraw/zinc/31/49/59/267314959.db2.gz NEHWYMOXZBEFCA-UHFFFAOYSA-N 1 2 333.388 1.977 20 30 EDEDLO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)ccc1C#N ZINC000277512529 267358724 /nfs/dbraw/zinc/35/87/24/267358724.db2.gz BUYYHKQHLGORQB-UHFFFAOYSA-N 1 2 337.445 1.256 20 30 EDEDLO Cc1cc(S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)ccc1C#N ZINC000277512529 267358727 /nfs/dbraw/zinc/35/87/27/267358727.db2.gz BUYYHKQHLGORQB-UHFFFAOYSA-N 1 2 337.445 1.256 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000288214458 268078584 /nfs/dbraw/zinc/07/85/84/268078584.db2.gz DILXFDTYMQWQKI-HNNXBMFYSA-N 1 2 330.413 1.991 20 30 EDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000343346562 268090611 /nfs/dbraw/zinc/09/06/11/268090611.db2.gz UAYLWNPNKCUHNX-AEFFLSMTSA-N 1 2 338.411 1.220 20 30 EDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000343346562 268090614 /nfs/dbraw/zinc/09/06/14/268090614.db2.gz UAYLWNPNKCUHNX-AEFFLSMTSA-N 1 2 338.411 1.220 20 30 EDEDLO N#Cc1cccc(C#N)c1NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000302828737 268234445 /nfs/dbraw/zinc/23/44/45/268234445.db2.gz JBEKECAAWRUQKW-UHFFFAOYSA-N 1 2 333.399 1.454 20 30 EDEDLO N#Cc1ccnc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000301662522 268298528 /nfs/dbraw/zinc/29/85/28/268298528.db2.gz VCXLFOZKSAOLGD-HNNXBMFYSA-N 1 2 349.416 1.481 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000528400801 268301154 /nfs/dbraw/zinc/30/11/54/268301154.db2.gz QLCXFFHVXUSVFJ-QAPCUYQASA-N 1 2 328.368 1.964 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000528400801 268301156 /nfs/dbraw/zinc/30/11/56/268301156.db2.gz QLCXFFHVXUSVFJ-QAPCUYQASA-N 1 2 328.368 1.964 20 30 EDEDLO N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)cc2)c1N ZINC000428341644 268316291 /nfs/dbraw/zinc/31/62/91/268316291.db2.gz PNGYMIFWZKMGRA-CQSZACIVSA-N 1 2 347.382 1.267 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)nc1 ZINC000107443174 272921552 /nfs/dbraw/zinc/92/15/52/272921552.db2.gz HTTQGDNAKUZTOJ-SFHVURJKSA-N 1 2 336.395 1.757 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000281974616 275419706 /nfs/dbraw/zinc/41/97/06/275419706.db2.gz YUVMXUGUOVLWOD-OCCSQVGLSA-N 1 2 337.387 1.999 20 30 EDEDLO C=C[C@H](C)NC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000345259920 276922308 /nfs/dbraw/zinc/92/23/08/276922308.db2.gz SQZPNQDTWFSLBT-NORZTCDRSA-N 1 2 331.420 1.488 20 30 EDEDLO N#Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)cc1C(F)(F)F ZINC000269351775 279524453 /nfs/dbraw/zinc/52/44/53/279524453.db2.gz JWLBRVSTEPYSIQ-CYBMUJFWSA-N 1 2 329.322 1.682 20 30 EDEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000332533589 288294685 /nfs/dbraw/zinc/29/46/85/288294685.db2.gz SWYCDGFVVSNGEB-TZMCWYRMSA-N 1 2 337.420 1.945 20 30 EDEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000332533589 288294686 /nfs/dbraw/zinc/29/46/86/288294686.db2.gz SWYCDGFVVSNGEB-TZMCWYRMSA-N 1 2 337.420 1.945 20 30 EDEDLO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000070979810 441131133 /nfs/dbraw/zinc/13/11/33/441131133.db2.gz XXINVHXNYUOBGW-SJORKVTESA-N 1 2 334.441 1.726 20 30 EDEDLO N#Cc1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000070979810 441131135 /nfs/dbraw/zinc/13/11/35/441131135.db2.gz XXINVHXNYUOBGW-SJORKVTESA-N 1 2 334.441 1.726 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CSC(=O)N3)CC2)cc1 ZINC000081230188 441241330 /nfs/dbraw/zinc/24/13/30/441241330.db2.gz OHSUSCFEBKMGOU-CQSZACIVSA-N 1 2 330.413 1.027 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)cc1 ZINC000017843485 441245074 /nfs/dbraw/zinc/24/50/74/441245074.db2.gz IIWGATCBEALLSI-UHFFFAOYSA-N 1 2 348.406 1.615 20 30 EDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000081257197 441245413 /nfs/dbraw/zinc/24/54/13/441245413.db2.gz GGPWXYQETGXYHT-CYBMUJFWSA-N 1 2 343.305 1.768 20 30 EDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000081257197 441245416 /nfs/dbraw/zinc/24/54/16/441245416.db2.gz GGPWXYQETGXYHT-CYBMUJFWSA-N 1 2 343.305 1.768 20 30 EDEDLO CO/N=C(/C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccco1 ZINC000072844457 441269193 /nfs/dbraw/zinc/26/91/93/441269193.db2.gz WCLJJWMZHHDSMT-CAPFRKAQSA-N 1 2 344.371 1.178 20 30 EDEDLO Cc1nc(CC(N)=[NH+]O[C@H]2CCCN(c3cnn(C)c3)C2=O)cs1 ZINC000072920059 441275952 /nfs/dbraw/zinc/27/59/52/441275952.db2.gz MLKIOKQSPFQXAO-ZDUSSCGKSA-N 1 2 348.432 1.212 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C)n1 ZINC000072978233 441281587 /nfs/dbraw/zinc/28/15/87/441281587.db2.gz BZQASISDXDUNKX-HNNXBMFYSA-N 1 2 343.431 1.555 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C)n1 ZINC000072978233 441281592 /nfs/dbraw/zinc/28/15/92/441281592.db2.gz BZQASISDXDUNKX-HNNXBMFYSA-N 1 2 343.431 1.555 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nc(C)c3ccccc3n2)CC1 ZINC000024796637 441321337 /nfs/dbraw/zinc/32/13/37/441321337.db2.gz XFYMLJHQPAJLDN-UHFFFAOYSA-N 1 2 339.443 1.358 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000085288589 441432088 /nfs/dbraw/zinc/43/20/88/441432088.db2.gz BKTBPURLWTWPLP-UHFFFAOYSA-N 1 2 330.388 1.401 20 30 EDEDLO Cc1cc(CN2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)no1 ZINC000052816552 441476519 /nfs/dbraw/zinc/47/65/19/441476519.db2.gz JQBJWKDHFQVAKP-MAUKXSAKSA-N 1 2 347.463 1.544 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc2c(c1)CCO2 ZINC000066345919 441522135 /nfs/dbraw/zinc/52/21/35/441522135.db2.gz GCCFGHWRJAVUCY-UHFFFAOYSA-N 1 2 343.427 1.238 20 30 EDEDLO N#CCCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000111326484 441533666 /nfs/dbraw/zinc/53/36/66/441533666.db2.gz MZWBVMYBQRSLLE-UHFFFAOYSA-N 1 2 339.436 1.967 20 30 EDEDLO N#CCCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000111326484 441533671 /nfs/dbraw/zinc/53/36/71/441533671.db2.gz MZWBVMYBQRSLLE-UHFFFAOYSA-N 1 2 339.436 1.967 20 30 EDEDLO Cc1cccc(N2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)c1 ZINC000054983846 441609178 /nfs/dbraw/zinc/60/91/78/441609178.db2.gz NEZXXIJODSZKFY-UHFFFAOYSA-N 1 2 339.443 1.773 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090201587 441626468 /nfs/dbraw/zinc/62/64/68/441626468.db2.gz SUJVUXLOYJEIGL-CVEARBPZSA-N 1 2 349.456 1.398 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090201587 441626470 /nfs/dbraw/zinc/62/64/70/441626470.db2.gz SUJVUXLOYJEIGL-CVEARBPZSA-N 1 2 349.456 1.398 20 30 EDEDLO N#CCNC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000076610230 441666161 /nfs/dbraw/zinc/66/61/61/441666161.db2.gz BYTHMEBEGLIMRH-UHFFFAOYSA-N 1 2 342.359 1.686 20 30 EDEDLO C[C@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158234192 441710607 /nfs/dbraw/zinc/71/06/07/441710607.db2.gz PCWXVXRJZAJRJV-SWLSCSKDSA-N 1 2 331.416 1.953 20 30 EDEDLO N#CCCn1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000173364065 441725373 /nfs/dbraw/zinc/72/53/73/441725373.db2.gz DMLIYRYXGBGKFC-OAHLLOKOSA-N 1 2 346.435 1.515 20 30 EDEDLO CN1CC[C@@H](O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)C1=O ZINC000116267743 441806475 /nfs/dbraw/zinc/80/64/75/441806475.db2.gz ZUECRJTXTKPABN-MRXNPFEDSA-N 1 2 340.383 1.528 20 30 EDEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)C1 ZINC000094157357 441908518 /nfs/dbraw/zinc/90/85/18/441908518.db2.gz LIWAZIRQRLUJNM-WBVHZDCISA-N 1 2 341.459 1.770 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1C ZINC000078273299 441913361 /nfs/dbraw/zinc/91/33/61/441913361.db2.gz UDJBTDZHNSWJEI-QGZVFWFLSA-N 1 2 342.443 1.890 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2C(N)=O)cc1C ZINC000078273299 441913367 /nfs/dbraw/zinc/91/33/67/441913367.db2.gz UDJBTDZHNSWJEI-QGZVFWFLSA-N 1 2 342.443 1.890 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000078345115 441921415 /nfs/dbraw/zinc/92/14/15/441921415.db2.gz JZOIHLDMTQIPAZ-CVEARBPZSA-N 1 2 339.457 1.274 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000078345115 441921419 /nfs/dbraw/zinc/92/14/19/441921419.db2.gz JZOIHLDMTQIPAZ-CVEARBPZSA-N 1 2 339.457 1.274 20 30 EDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174832482 441972497 /nfs/dbraw/zinc/97/24/97/441972497.db2.gz AHAQQSORHKQHOJ-KRWDZBQOSA-N 1 2 338.411 1.948 20 30 EDEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174832482 441972504 /nfs/dbraw/zinc/97/25/04/441972504.db2.gz AHAQQSORHKQHOJ-KRWDZBQOSA-N 1 2 338.411 1.948 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119472468 441936170 /nfs/dbraw/zinc/93/61/70/441936170.db2.gz HHFZFNBSTAFAEK-UHFFFAOYSA-N 1 2 346.431 1.590 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000126212645 442089511 /nfs/dbraw/zinc/08/95/11/442089511.db2.gz HOCAMJDOKHPTFG-KRWDZBQOSA-N 1 2 347.503 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000126212645 442089516 /nfs/dbraw/zinc/08/95/16/442089516.db2.gz HOCAMJDOKHPTFG-KRWDZBQOSA-N 1 2 347.503 1.877 20 30 EDEDLO C#CCN(CC#C)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000120713191 442121892 /nfs/dbraw/zinc/12/18/92/442121892.db2.gz ODTGEQVMEVPUSN-UHFFFAOYSA-N 1 2 326.396 1.157 20 30 EDEDLO C#CCN(CC#C)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000120713191 442121895 /nfs/dbraw/zinc/12/18/95/442121895.db2.gz ODTGEQVMEVPUSN-UHFFFAOYSA-N 1 2 326.396 1.157 20 30 EDEDLO Cc1cc[nH+]c(N2CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000166386419 442216203 /nfs/dbraw/zinc/21/62/03/442216203.db2.gz SRTPNMYYNIJGHQ-APWZRJJASA-N 1 2 343.475 1.955 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153235835 442269869 /nfs/dbraw/zinc/26/98/69/442269869.db2.gz WWHIBMLYOCKNGN-UHFFFAOYSA-N 1 2 341.371 1.609 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153235835 442269872 /nfs/dbraw/zinc/26/98/72/442269872.db2.gz WWHIBMLYOCKNGN-UHFFFAOYSA-N 1 2 341.371 1.609 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000128510246 442270800 /nfs/dbraw/zinc/27/08/00/442270800.db2.gz XKVYPTAHNBNXSI-HNNXBMFYSA-N 1 2 344.440 1.935 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000128510246 442270803 /nfs/dbraw/zinc/27/08/03/442270803.db2.gz XKVYPTAHNBNXSI-HNNXBMFYSA-N 1 2 344.440 1.935 20 30 EDEDLO N#CCCCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000170878115 442281511 /nfs/dbraw/zinc/28/15/11/442281511.db2.gz JFVQLHAWSFNSNH-OAHLLOKOSA-N 1 2 326.466 1.187 20 30 EDEDLO COc1ccc(F)cc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000171026032 442300894 /nfs/dbraw/zinc/30/08/94/442300894.db2.gz IFEDZJJULBEJIC-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO C=CCC(CC=C)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000133119386 442407273 /nfs/dbraw/zinc/40/72/73/442407273.db2.gz JXTJFGOMFCFRCU-UHFFFAOYSA-N 1 2 333.476 1.815 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2cccc(C)c2C#N)C[C@H]1C ZINC000133275926 442411254 /nfs/dbraw/zinc/41/12/54/442411254.db2.gz UWYHWLWDVBUDAT-CQSZACIVSA-N 1 2 337.445 1.208 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)c2cccc(C)c2C#N)C[C@H]1C ZINC000133275926 442411256 /nfs/dbraw/zinc/41/12/56/442411256.db2.gz UWYHWLWDVBUDAT-CQSZACIVSA-N 1 2 337.445 1.208 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@H](CO)O[C@@H](C)C2)cc1OCCCC#N ZINC000191532149 442459502 /nfs/dbraw/zinc/45/95/02/442459502.db2.gz YMYXTKPHRVKZBO-GOEBONIOSA-N 1 2 334.416 1.959 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)cc1OCCCC#N ZINC000191532149 442459506 /nfs/dbraw/zinc/45/95/06/442459506.db2.gz YMYXTKPHRVKZBO-GOEBONIOSA-N 1 2 334.416 1.959 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000134917835 442537460 /nfs/dbraw/zinc/53/74/60/442537460.db2.gz YQOGKCBZVYOKAK-QGZVFWFLSA-N 1 2 328.420 1.614 20 30 EDEDLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 ZINC000157437821 442584529 /nfs/dbraw/zinc/58/45/29/442584529.db2.gz CCDZYADTQXVCKO-UHFFFAOYSA-N 1 2 341.408 1.040 20 30 EDEDLO C=CCNC(=O)CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000180400927 442595613 /nfs/dbraw/zinc/59/56/13/442595613.db2.gz ALVHUTLNBOJIGO-UHFFFAOYSA-N 1 2 345.447 1.563 20 30 EDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000192236302 442620016 /nfs/dbraw/zinc/62/00/16/442620016.db2.gz KUDMPPCQFQYTLU-CYBMUJFWSA-N 1 2 337.445 1.265 20 30 EDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000192236302 442620019 /nfs/dbraw/zinc/62/00/19/442620019.db2.gz KUDMPPCQFQYTLU-CYBMUJFWSA-N 1 2 337.445 1.265 20 30 EDEDLO C[N@H+](CCc1nccs1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000157874044 442623741 /nfs/dbraw/zinc/62/37/41/442623741.db2.gz VMEQFLUEOQAHKJ-UHFFFAOYSA-N 1 2 335.454 1.963 20 30 EDEDLO C[N@@H+](CCc1nccs1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000157874044 442623744 /nfs/dbraw/zinc/62/37/44/442623744.db2.gz VMEQFLUEOQAHKJ-UHFFFAOYSA-N 1 2 335.454 1.963 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)NC[C@H](C)C#N)CC1 ZINC000186877281 442624489 /nfs/dbraw/zinc/62/44/89/442624489.db2.gz KSGKILZYDQNZDU-CQSZACIVSA-N 1 2 343.431 1.632 20 30 EDEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(C#N)c(O)c2)C[C@@H](C)O1 ZINC000188241460 442728018 /nfs/dbraw/zinc/72/80/18/442728018.db2.gz PTEZKNBEPNZMHE-CHWSQXEVSA-N 1 2 331.416 1.881 20 30 EDEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000193771337 442783222 /nfs/dbraw/zinc/78/32/22/442783222.db2.gz RHQZZBTXENWHMF-HNNXBMFYSA-N 1 2 327.432 1.334 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246896421 442820067 /nfs/dbraw/zinc/82/00/67/442820067.db2.gz FLLWKOILGFBMKW-DAOPMYJZSA-N 1 2 337.445 1.256 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246896421 442820069 /nfs/dbraw/zinc/82/00/69/442820069.db2.gz FLLWKOILGFBMKW-DAOPMYJZSA-N 1 2 337.445 1.256 20 30 EDEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000248497055 442897443 /nfs/dbraw/zinc/89/74/43/442897443.db2.gz JZLZVPDIPMSWPU-NVXWUHKLSA-N 1 2 332.400 1.716 20 30 EDEDLO CCOC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000248497055 442897449 /nfs/dbraw/zinc/89/74/49/442897449.db2.gz JZLZVPDIPMSWPU-NVXWUHKLSA-N 1 2 332.400 1.716 20 30 EDEDLO COc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)n1 ZINC000268360683 442960929 /nfs/dbraw/zinc/96/09/29/442960929.db2.gz LSYCFCMZIOUVGI-UHFFFAOYSA-N 1 2 347.419 1.478 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000268521920 443020047 /nfs/dbraw/zinc/02/00/47/443020047.db2.gz VGLQGSOHBINACA-RYUDHWBXSA-N 1 2 330.363 1.973 20 30 EDEDLO COC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccco1 ZINC000184561035 443040110 /nfs/dbraw/zinc/04/01/10/443040110.db2.gz NSZIDCPLHUWAIZ-OAHLLOKOSA-N 1 2 334.397 1.902 20 30 EDEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000185112900 443139796 /nfs/dbraw/zinc/13/97/96/443139796.db2.gz COYHIMXFEXPIIH-UZJPJQLHSA-N 1 2 327.837 1.849 20 30 EDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000185112900 443139798 /nfs/dbraw/zinc/13/97/98/443139798.db2.gz COYHIMXFEXPIIH-UZJPJQLHSA-N 1 2 327.837 1.849 20 30 EDEDLO N#Cc1cccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000266696622 443211760 /nfs/dbraw/zinc/21/17/60/443211760.db2.gz VUFDGFQAAYYCRS-QGZVFWFLSA-N 1 2 328.416 1.564 20 30 EDEDLO CCOC(=O)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C(C)(C)C ZINC000269269953 443259468 /nfs/dbraw/zinc/25/94/68/443259468.db2.gz IUUIPOSJMIVFEF-UHFFFAOYSA-N 1 2 331.416 1.838 20 30 EDEDLO CCOC(=O)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C(C)(C)C ZINC000269269953 443259471 /nfs/dbraw/zinc/25/94/71/443259471.db2.gz IUUIPOSJMIVFEF-UHFFFAOYSA-N 1 2 331.416 1.838 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266870667 443273728 /nfs/dbraw/zinc/27/37/28/443273728.db2.gz PXGLYCUVTBUCHF-HZMBPMFUSA-N 1 2 327.306 1.884 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000266870667 443273732 /nfs/dbraw/zinc/27/37/32/443273732.db2.gz PXGLYCUVTBUCHF-HZMBPMFUSA-N 1 2 327.306 1.884 20 30 EDEDLO N#CC1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCCC1 ZINC000264338447 443261117 /nfs/dbraw/zinc/26/11/17/443261117.db2.gz VBAPIZJKTOVEKF-UHFFFAOYSA-N 1 2 331.420 1.628 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000278557136 443361966 /nfs/dbraw/zinc/36/19/66/443361966.db2.gz PFPHWITYRPVJQL-QGPMSJSTSA-N 1 2 345.443 1.904 20 30 EDEDLO N#Cc1ccc(NCCC[N@@H+]2CCNC(=O)C2)cc1C(F)(F)F ZINC000278720839 443413899 /nfs/dbraw/zinc/41/38/99/443413899.db2.gz KCDALEWBKRZZGE-UHFFFAOYSA-N 1 2 326.322 1.811 20 30 EDEDLO N#Cc1ccc(NCCC[N@H+]2CCNC(=O)C2)cc1C(F)(F)F ZINC000278720839 443413905 /nfs/dbraw/zinc/41/39/05/443413905.db2.gz KCDALEWBKRZZGE-UHFFFAOYSA-N 1 2 326.322 1.811 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267315135 443415621 /nfs/dbraw/zinc/41/56/21/443415621.db2.gz DVAFQOTUGKJURI-AWEZNQCLSA-N 1 2 337.383 1.935 20 30 EDEDLO C=CCNC(=O)c1ccc(N2CC[NH+](Cc3cc(C)no3)CC2)nc1 ZINC000264823655 443441787 /nfs/dbraw/zinc/44/17/87/443441787.db2.gz CXJCQVSJRNEGDW-UHFFFAOYSA-N 1 2 341.415 1.616 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000267568594 443499710 /nfs/dbraw/zinc/49/97/10/443499710.db2.gz QMVIECUXJZIWNH-UHFFFAOYSA-N 1 2 341.346 1.485 20 30 EDEDLO COC(=O)C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000267717162 443552203 /nfs/dbraw/zinc/55/22/03/443552203.db2.gz AAELERZSDUZUHE-AWEZNQCLSA-N 1 2 331.372 1.151 20 30 EDEDLO COC(=O)C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000267717162 443552205 /nfs/dbraw/zinc/55/22/05/443552205.db2.gz AAELERZSDUZUHE-AWEZNQCLSA-N 1 2 331.372 1.151 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000274062264 443592597 /nfs/dbraw/zinc/59/25/97/443592597.db2.gz AJBLSCBDHYHQRX-HZSPNIEDSA-N 1 2 349.456 1.447 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000274062264 443592601 /nfs/dbraw/zinc/59/26/01/443592601.db2.gz AJBLSCBDHYHQRX-HZSPNIEDSA-N 1 2 349.456 1.447 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)CCN1C ZINC000280121073 443667899 /nfs/dbraw/zinc/66/78/99/443667899.db2.gz AONCSPREEMBDDX-OAHLLOKOSA-N 1 2 326.360 1.693 20 30 EDEDLO C[C@@H](NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000283768333 443713044 /nfs/dbraw/zinc/71/30/44/443713044.db2.gz CLXXUGWNMIEWMK-QWHCGFSZSA-N 1 2 325.372 1.137 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)ccc3C)n2C)CC1 ZINC000283780174 443715970 /nfs/dbraw/zinc/71/59/70/443715970.db2.gz KTHTYVWLANVAJD-UHFFFAOYSA-N 1 2 339.443 1.766 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCCC#N ZINC000286769397 443724253 /nfs/dbraw/zinc/72/42/53/443724253.db2.gz QPTAEODEVKYLOS-MRXNPFEDSA-N 1 2 342.443 1.529 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCCC#N ZINC000286769397 443724259 /nfs/dbraw/zinc/72/42/59/443724259.db2.gz QPTAEODEVKYLOS-MRXNPFEDSA-N 1 2 342.443 1.529 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3cc(C#N)ccn3)CC2)S1 ZINC000287520881 443746577 /nfs/dbraw/zinc/74/65/77/443746577.db2.gz HORFOBGRADGPKI-UHFFFAOYSA-N 1 2 329.429 1.592 20 30 EDEDLO C[N@@H+]1CCN(C(=O)C(=O)NCCCCC#N)[C@H](c2ccccc2)C1 ZINC000286822027 443726456 /nfs/dbraw/zinc/72/64/56/443726456.db2.gz XGGGIHFNIVJYKP-INIZCTEOSA-N 1 2 328.416 1.312 20 30 EDEDLO C[N@H+]1CCN(C(=O)C(=O)NCCCCC#N)[C@H](c2ccccc2)C1 ZINC000286822027 443726460 /nfs/dbraw/zinc/72/64/60/443726460.db2.gz XGGGIHFNIVJYKP-INIZCTEOSA-N 1 2 328.416 1.312 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286996493 443731388 /nfs/dbraw/zinc/73/13/88/443731388.db2.gz MOTWIKOGWGJKPL-UKRRQHHQSA-N 1 2 344.415 1.894 20 30 EDEDLO COc1cc(OC)nc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000287085296 443734659 /nfs/dbraw/zinc/73/46/59/443734659.db2.gz UIXBGNZLXDHCLU-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC(C)(C)C(F)(F)F)CC1 ZINC000280752524 443743501 /nfs/dbraw/zinc/74/35/01/443743501.db2.gz PSDSSWUBHHZJBE-UHFFFAOYSA-N 1 2 347.381 1.249 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC(C)(C)C(F)(F)F)CC1 ZINC000280752524 443743503 /nfs/dbraw/zinc/74/35/03/443743503.db2.gz PSDSSWUBHHZJBE-UHFFFAOYSA-N 1 2 347.381 1.249 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000292256662 443787571 /nfs/dbraw/zinc/78/75/71/443787571.db2.gz FDJIGLQHEPVTCZ-LSDHHAIUSA-N 1 2 346.431 1.213 20 30 EDEDLO C#CCN(C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000291175457 443752045 /nfs/dbraw/zinc/75/20/45/443752045.db2.gz GYXIUNLJMUYUCG-UHFFFAOYSA-N 1 2 331.416 1.172 20 30 EDEDLO COCC[NH+]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280845124 443757759 /nfs/dbraw/zinc/75/77/59/443757759.db2.gz JUXZFUBCVVRDGS-KRWDZBQOSA-N 1 2 326.400 1.031 20 30 EDEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C#N)ccn3)CC2)n1 ZINC000287994847 443762592 /nfs/dbraw/zinc/76/25/92/443762592.db2.gz VJLXUHUSJWXASN-CYBMUJFWSA-N 1 2 342.403 1.756 20 30 EDEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cc(C#N)ccn3)CC2)n1 ZINC000287994847 443762598 /nfs/dbraw/zinc/76/25/98/443762598.db2.gz VJLXUHUSJWXASN-CYBMUJFWSA-N 1 2 342.403 1.756 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)C[C@@H]21 ZINC000284190167 443769993 /nfs/dbraw/zinc/76/99/93/443769993.db2.gz SPHTVAOBMQNTPG-LETPOXDLSA-N 1 2 341.411 1.534 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)C[C@@H]21 ZINC000284190167 443769995 /nfs/dbraw/zinc/76/99/95/443769995.db2.gz SPHTVAOBMQNTPG-LETPOXDLSA-N 1 2 341.411 1.534 20 30 EDEDLO NC(=[NH+]OCC(=O)NCCOc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000284373702 443773674 /nfs/dbraw/zinc/77/36/74/443773674.db2.gz LQQAJUSSVYADBI-ZDUSSCGKSA-N 1 2 341.795 1.303 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000284498437 443778233 /nfs/dbraw/zinc/77/82/33/443778233.db2.gz BKEFLIWKBFWLJF-DZGCQCFKSA-N 1 2 333.436 1.256 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000284498437 443778235 /nfs/dbraw/zinc/77/82/35/443778235.db2.gz BKEFLIWKBFWLJF-DZGCQCFKSA-N 1 2 333.436 1.256 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCOc2cccc(C)c2)C1=O ZINC000281212827 443849320 /nfs/dbraw/zinc/84/93/20/443849320.db2.gz DFVNKYBRWMPUPW-KRWDZBQOSA-N 1 2 345.443 1.209 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCOc2cccc(C)c2)C1=O ZINC000281212827 443849322 /nfs/dbraw/zinc/84/93/22/443849322.db2.gz DFVNKYBRWMPUPW-KRWDZBQOSA-N 1 2 345.443 1.209 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000281399511 443899929 /nfs/dbraw/zinc/89/99/29/443899929.db2.gz MKTNFZVSTCQIJP-APWZRJJASA-N 1 2 344.459 1.301 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2cc(C#N)ccn2)C1 ZINC000288643406 443943367 /nfs/dbraw/zinc/94/33/67/443943367.db2.gz UJEOCIKGNSXBTP-CQSZACIVSA-N 1 2 337.383 1.708 20 30 EDEDLO COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000281963431 444050927 /nfs/dbraw/zinc/05/09/27/444050927.db2.gz BBWYXCRGCBREND-HHXXYDBFSA-N 1 2 345.443 1.857 20 30 EDEDLO COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000281963431 444050929 /nfs/dbraw/zinc/05/09/29/444050929.db2.gz BBWYXCRGCBREND-HHXXYDBFSA-N 1 2 345.443 1.857 20 30 EDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000561911064 321044619 /nfs/dbraw/zinc/04/46/19/321044619.db2.gz MRTBWIQKCNWIJV-BJFPOWJFSA-N 1 2 325.459 1.790 20 30 EDEDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000561911064 321044621 /nfs/dbraw/zinc/04/46/21/321044621.db2.gz MRTBWIQKCNWIJV-BJFPOWJFSA-N 1 2 325.459 1.790 20 30 EDEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cn1 ZINC000565368935 321184590 /nfs/dbraw/zinc/18/45/90/321184590.db2.gz YZKLXHJQOIULQQ-UHFFFAOYSA-N 1 2 340.387 1.518 20 30 EDEDLO N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)Cn1cc[nH+]c1 ZINC000569520200 321328878 /nfs/dbraw/zinc/32/88/78/321328878.db2.gz HATAOZOKZFMBDH-UHFFFAOYSA-N 1 2 349.398 1.272 20 30 EDEDLO CN1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000294320646 444112782 /nfs/dbraw/zinc/11/27/82/444112782.db2.gz JZXKPTOSWYSJQK-KRWDZBQOSA-N 1 2 340.427 1.071 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000278376776 444147255 /nfs/dbraw/zinc/14/72/55/444147255.db2.gz HCCYPHJKEJBXMQ-NVXWUHKLSA-N 1 2 331.416 1.516 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000289508619 444161423 /nfs/dbraw/zinc/16/14/23/444161423.db2.gz HYDINCKXMVVXJQ-HKUYNNGSSA-N 1 2 332.444 1.812 20 30 EDEDLO Cc1nc(N2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)cc[nH+]1 ZINC000294974748 444162370 /nfs/dbraw/zinc/16/23/70/444162370.db2.gz OMGIQSPXDNTHHV-GOSISDBHSA-N 1 2 325.416 1.908 20 30 EDEDLO C#CCCOc1ccc(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000296280515 444217271 /nfs/dbraw/zinc/21/72/71/444217271.db2.gz MSMMSEYFKQISNB-INIZCTEOSA-N 1 2 330.428 1.881 20 30 EDEDLO C[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000305813437 444281750 /nfs/dbraw/zinc/28/17/50/444281750.db2.gz IYJOOJNCFYDZLR-KBPBESRZSA-N 1 2 341.333 1.909 20 30 EDEDLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000305813437 444281751 /nfs/dbraw/zinc/28/17/51/444281751.db2.gz IYJOOJNCFYDZLR-KBPBESRZSA-N 1 2 341.333 1.909 20 30 EDEDLO C[C@](O)(CNC(=O)c1coc(C2CCCC2)n1)C[NH+]1CCOCC1 ZINC000328785947 444351859 /nfs/dbraw/zinc/35/18/59/444351859.db2.gz WJAHJSVGSVNDOC-KRWDZBQOSA-N 1 2 337.420 1.720 20 30 EDEDLO Cc1c(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cnn1CC(C)C ZINC000328966357 444426967 /nfs/dbraw/zinc/42/69/67/444426967.db2.gz MVCDDANZMPFNCM-HZPDHXFCSA-N 1 2 335.452 1.798 20 30 EDEDLO Cc1c(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cnn1CC(C)C ZINC000328966357 444426972 /nfs/dbraw/zinc/42/69/72/444426972.db2.gz MVCDDANZMPFNCM-HZPDHXFCSA-N 1 2 335.452 1.798 20 30 EDEDLO Cn1cc(CC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)cn1 ZINC000328637784 444407154 /nfs/dbraw/zinc/40/71/54/444407154.db2.gz OVAIBAYRJCBZNT-GJZGRUSLSA-N 1 2 334.399 1.265 20 30 EDEDLO Cn1cc(CC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)cn1 ZINC000328637784 444407157 /nfs/dbraw/zinc/40/71/57/444407157.db2.gz OVAIBAYRJCBZNT-GJZGRUSLSA-N 1 2 334.399 1.265 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ncnn2C(C)(C)C)CC1 ZINC000328672487 444423855 /nfs/dbraw/zinc/42/38/55/444423855.db2.gz IEHUAYZNWLHDKF-ZDUSSCGKSA-N 1 2 334.468 1.658 20 30 EDEDLO COC1CCC(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000328857957 444377776 /nfs/dbraw/zinc/37/77/76/444377776.db2.gz DLGFONZYZPVBJK-GQGLESIBSA-N 1 2 339.480 1.901 20 30 EDEDLO COC1CCC(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000328857957 444377778 /nfs/dbraw/zinc/37/77/78/444377778.db2.gz DLGFONZYZPVBJK-GQGLESIBSA-N 1 2 339.480 1.901 20 30 EDEDLO CCN1CCN(S(=O)(=O)CCCCC#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000331161233 444425085 /nfs/dbraw/zinc/42/50/85/444425085.db2.gz GBUINYCTGTURGR-ZDUSSCGKSA-N 1 2 325.438 1.112 20 30 EDEDLO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328867950 444381551 /nfs/dbraw/zinc/38/15/51/444381551.db2.gz OMQQPYUSLYNMMZ-STQMWFEESA-N 1 2 343.435 1.812 20 30 EDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000298026786 444390714 /nfs/dbraw/zinc/39/07/14/444390714.db2.gz DXWDNHFBOXAUJQ-HOCLYGCPSA-N 1 2 345.418 1.373 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000298026786 444390718 /nfs/dbraw/zinc/39/07/18/444390718.db2.gz DXWDNHFBOXAUJQ-HOCLYGCPSA-N 1 2 345.418 1.373 20 30 EDEDLO C=CCn1c(CC(C)(C)C)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000337766951 444395855 /nfs/dbraw/zinc/39/58/55/444395855.db2.gz CBFXLPGWQJXJBL-HNNXBMFYSA-N 1 2 333.480 1.964 20 30 EDEDLO COC(=O)[C@@H]([N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1(OC)CCC1 ZINC000298045005 444395958 /nfs/dbraw/zinc/39/59/58/444395958.db2.gz HTPJCSOTGXDJIY-GDBMZVCRSA-N 1 2 345.399 1.517 20 30 EDEDLO COC(=O)[C@@H]([N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1(OC)CCC1 ZINC000298045005 444395962 /nfs/dbraw/zinc/39/59/62/444395962.db2.gz HTPJCSOTGXDJIY-GDBMZVCRSA-N 1 2 345.399 1.517 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000328910651 444398303 /nfs/dbraw/zinc/39/83/03/444398303.db2.gz NQKKGIPXSJPITH-OCCSQVGLSA-N 1 2 341.477 1.365 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(=O)NC3CCCCC3)CC[C@@H]21 ZINC000328991453 444436593 /nfs/dbraw/zinc/43/65/93/444436593.db2.gz VKGKCXHDJNPMHV-OLZOCXBDSA-N 1 2 337.424 1.492 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NC(=O)NC3CCCCC3)CC[C@@H]21 ZINC000328991453 444436597 /nfs/dbraw/zinc/43/65/97/444436597.db2.gz VKGKCXHDJNPMHV-OLZOCXBDSA-N 1 2 337.424 1.492 20 30 EDEDLO C[C@@H]1CN(C(=O)[C@H](C#N)CCc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000331696168 444482822 /nfs/dbraw/zinc/48/28/22/444482822.db2.gz USXOHGCXISQKNW-NZSAHSFTSA-N 1 2 341.455 1.938 20 30 EDEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3c(C)noc3C)C2)CC1 ZINC000329174073 444491622 /nfs/dbraw/zinc/49/16/22/444491622.db2.gz LUJDKSZGADUDGS-HNNXBMFYSA-N 1 2 335.452 1.417 20 30 EDEDLO C[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)[C@H]2CCCC[C@@H]12 ZINC000332312503 444509649 /nfs/dbraw/zinc/50/96/49/444509649.db2.gz XSIVANKWEOVZCU-PMPSAXMXSA-N 1 2 346.475 1.470 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCO[C@@H](C(N)=O)C1)C2 ZINC000329243203 444510562 /nfs/dbraw/zinc/51/05/62/444510562.db2.gz SSHNJUZMMJPZJK-NWDGAFQWSA-N 1 2 349.435 1.645 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CC(C)(C)OC3(C)C)CC2)cn1 ZINC000329300076 444526258 /nfs/dbraw/zinc/52/62/58/444526258.db2.gz VKTBAPFBWDSFQV-OAHLLOKOSA-N 1 2 349.479 1.798 20 30 EDEDLO CC(C)(C)OC[C@H](O)C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000338186360 444554502 /nfs/dbraw/zinc/55/45/02/444554502.db2.gz POAYFJKGEDSXMB-IQUTYRLHSA-N 1 2 343.427 1.508 20 30 EDEDLO CC(C)(C)OC[C@H](O)C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000338186360 444554503 /nfs/dbraw/zinc/55/45/03/444554503.db2.gz POAYFJKGEDSXMB-IQUTYRLHSA-N 1 2 343.427 1.508 20 30 EDEDLO Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)no1 ZINC000329378919 444556595 /nfs/dbraw/zinc/55/65/95/444556595.db2.gz MTHFUMKGJNJENF-JSGCOSHPSA-N 1 2 336.440 1.065 20 30 EDEDLO C=CC[N@H+](Cc1n[nH]c(=O)[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000340886460 444558887 /nfs/dbraw/zinc/55/88/87/444558887.db2.gz GKEFLTDBMYQPSK-NSHDSACASA-N 1 2 326.364 1.235 20 30 EDEDLO C=CC[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000340886460 444558896 /nfs/dbraw/zinc/55/88/96/444558896.db2.gz GKEFLTDBMYQPSK-NSHDSACASA-N 1 2 326.364 1.235 20 30 EDEDLO O=C(N[C@@H]1CCCSC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000329335009 444539267 /nfs/dbraw/zinc/53/92/67/444539267.db2.gz XOXLWQHCVQEZJE-UONOGXRCSA-N 1 2 341.477 1.019 20 30 EDEDLO CCn1cccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1=O ZINC000329356622 444548322 /nfs/dbraw/zinc/54/83/22/444548322.db2.gz WGQCICZAYJYWIS-INIZCTEOSA-N 1 2 333.432 1.968 20 30 EDEDLO CCn1cccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1=O ZINC000329356622 444548324 /nfs/dbraw/zinc/54/83/24/444548324.db2.gz WGQCICZAYJYWIS-INIZCTEOSA-N 1 2 333.432 1.968 20 30 EDEDLO O=C(NC1CC1)N[C@H]1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000329501245 444605616 /nfs/dbraw/zinc/60/56/16/444605616.db2.gz KJCZBWVKFMBLQJ-ZDUSSCGKSA-N 1 2 344.406 1.230 20 30 EDEDLO O=C(NCCn1cnnc1C1CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329520435 444613190 /nfs/dbraw/zinc/61/31/90/444613190.db2.gz FLAAFJHMAPEDLM-OAHLLOKOSA-N 1 2 333.436 1.755 20 30 EDEDLO O=C(NCCn1cnnc1C1CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329520435 444613193 /nfs/dbraw/zinc/61/31/93/444613193.db2.gz FLAAFJHMAPEDLM-OAHLLOKOSA-N 1 2 333.436 1.755 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000342356172 444652513 /nfs/dbraw/zinc/65/25/13/444652513.db2.gz KXZQIDXAKMOIIH-HUUCEWRRSA-N 1 2 343.431 1.325 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000342356172 444652516 /nfs/dbraw/zinc/65/25/16/444652516.db2.gz KXZQIDXAKMOIIH-HUUCEWRRSA-N 1 2 343.431 1.325 20 30 EDEDLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000329629884 444657045 /nfs/dbraw/zinc/65/70/45/444657045.db2.gz QMFPWXJMXKKEOY-UHFFFAOYSA-N 1 2 342.355 1.155 20 30 EDEDLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000329629884 444657049 /nfs/dbraw/zinc/65/70/49/444657049.db2.gz QMFPWXJMXKKEOY-UHFFFAOYSA-N 1 2 342.355 1.155 20 30 EDEDLO O=C(NC1CC1)c1cccc(S(=O)(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000329656466 444667645 /nfs/dbraw/zinc/66/76/45/444667645.db2.gz GHDMUTSEFLJFBD-UHFFFAOYSA-N 1 2 346.412 1.555 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4ncccc4c3)C[C@@H]21 ZINC000329671840 444673878 /nfs/dbraw/zinc/67/38/78/444673878.db2.gz SFVDLAYWRIVOOE-DLBZAZTESA-N 1 2 326.400 1.664 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4ncccc4c3)C[C@@H]21 ZINC000329671840 444673881 /nfs/dbraw/zinc/67/38/81/444673881.db2.gz SFVDLAYWRIVOOE-DLBZAZTESA-N 1 2 326.400 1.664 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000329606398 444646752 /nfs/dbraw/zinc/64/67/52/444646752.db2.gz MLQVCEQNIDNHKT-JTQLQIEISA-N 1 2 343.225 1.100 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000329606398 444646753 /nfs/dbraw/zinc/64/67/53/444646753.db2.gz MLQVCEQNIDNHKT-JTQLQIEISA-N 1 2 343.225 1.100 20 30 EDEDLO CCO[C@@H]1C[C@@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C12CCCC2 ZINC000329609192 444647617 /nfs/dbraw/zinc/64/76/17/444647617.db2.gz NIDJQNBSQZPILI-ZJIFWQFVSA-N 1 2 337.464 1.653 20 30 EDEDLO CCO[C@@H]1C[C@@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C12CCCC2 ZINC000329609192 444647620 /nfs/dbraw/zinc/64/76/20/444647620.db2.gz NIDJQNBSQZPILI-ZJIFWQFVSA-N 1 2 337.464 1.653 20 30 EDEDLO O=C(NC[C@@H]1CCCCS1(=O)=O)N1CC[NH+](C2CCC2)CC1 ZINC000329766513 444708999 /nfs/dbraw/zinc/70/89/99/444708999.db2.gz YGLMLRSKKLTEQA-AWEZNQCLSA-N 1 2 329.466 1.038 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2cnnn2C)CC1 ZINC000329812213 444726322 /nfs/dbraw/zinc/72/63/22/444726322.db2.gz RWNLHSPACDKNHI-UHFFFAOYSA-N 1 2 342.403 1.116 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](COC(F)F)C2)nc1 ZINC000343943927 444684672 /nfs/dbraw/zinc/68/46/72/444684672.db2.gz APJIKEHTADNJCJ-LBPRGKRZSA-N 1 2 345.371 1.288 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](COC(F)F)C2)nc1 ZINC000343943927 444684679 /nfs/dbraw/zinc/68/46/79/444684679.db2.gz APJIKEHTADNJCJ-LBPRGKRZSA-N 1 2 345.371 1.288 20 30 EDEDLO C[C@]1(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCCOC1 ZINC000329700478 444685165 /nfs/dbraw/zinc/68/51/65/444685165.db2.gz GTUPFGBQFUNHAY-KRWDZBQOSA-N 1 2 333.436 1.372 20 30 EDEDLO C[C@@H]1[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)CCC[N@@H+]1C ZINC000343957114 444694263 /nfs/dbraw/zinc/69/42/63/444694263.db2.gz IBLJGYNCRXDRTI-NOZJJQNGSA-N 1 2 329.372 1.597 20 30 EDEDLO C[C@@H]1[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)CCC[N@H+]1C ZINC000343957114 444694268 /nfs/dbraw/zinc/69/42/68/444694268.db2.gz IBLJGYNCRXDRTI-NOZJJQNGSA-N 1 2 329.372 1.597 20 30 EDEDLO [O-]C(NCCc1cn2c([nH+]1)CCCC2)=[NH+][C@@H]1CCc2c[nH]nc2C1 ZINC000329857803 444742312 /nfs/dbraw/zinc/74/23/12/444742312.db2.gz ZOPURGRWEWVYQV-CYBMUJFWSA-N 1 2 328.420 1.546 20 30 EDEDLO [O-]C(N[C@@H]1CCc2c[nH]nc2C1)=[NH+]CCc1cn2c([nH+]1)CCCC2 ZINC000329857803 444742315 /nfs/dbraw/zinc/74/23/15/444742315.db2.gz ZOPURGRWEWVYQV-CYBMUJFWSA-N 1 2 328.420 1.546 20 30 EDEDLO O=C(C[NH+]1CCC(Oc2ccccn2)CC1)NCC(=O)N1CCCC1 ZINC000329896752 444758046 /nfs/dbraw/zinc/75/80/46/444758046.db2.gz CQRZDGPFEWOFMQ-UHFFFAOYSA-N 1 2 346.431 1.504 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccccc3O[C@H]3CCOC3)C[C@H]21 ZINC000329919131 444769176 /nfs/dbraw/zinc/76/91/76/444769176.db2.gz GFEBNDBIAVGCCB-YSVLISHTSA-N 1 2 347.415 1.415 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccccc3O[C@H]3CCOC3)C[C@H]21 ZINC000329919131 444769182 /nfs/dbraw/zinc/76/91/82/444769182.db2.gz GFEBNDBIAVGCCB-YSVLISHTSA-N 1 2 347.415 1.415 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H]1C=CCCC1 ZINC000329926304 444772282 /nfs/dbraw/zinc/77/22/82/444772282.db2.gz WBLOADVOLLYVCN-ZNMIVQPWSA-N 1 2 335.427 1.945 20 30 EDEDLO Cc1cc(NC(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)on1 ZINC000344095254 444778766 /nfs/dbraw/zinc/77/87/66/444778766.db2.gz ACWKAVYOLXIFPI-UHFFFAOYSA-N 1 2 328.372 1.942 20 30 EDEDLO Cc1cc(NC(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)on1 ZINC000344095254 444778769 /nfs/dbraw/zinc/77/87/69/444778769.db2.gz ACWKAVYOLXIFPI-UHFFFAOYSA-N 1 2 328.372 1.942 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329967151 444792135 /nfs/dbraw/zinc/79/21/35/444792135.db2.gz SITJRQIYKIPYJC-KFNAQCHYSA-N 1 2 333.388 1.407 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329967151 444792138 /nfs/dbraw/zinc/79/21/38/444792138.db2.gz SITJRQIYKIPYJC-KFNAQCHYSA-N 1 2 333.388 1.407 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329967151 444792142 /nfs/dbraw/zinc/79/21/42/444792142.db2.gz SITJRQIYKIPYJC-KFNAQCHYSA-N 1 2 333.388 1.407 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329967151 444792147 /nfs/dbraw/zinc/79/21/47/444792147.db2.gz SITJRQIYKIPYJC-KFNAQCHYSA-N 1 2 333.388 1.407 20 30 EDEDLO CO[C@H](C)c1nc(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000329980319 444797656 /nfs/dbraw/zinc/79/76/56/444797656.db2.gz LCKKPCHDUUCHGT-WXHSDQCUSA-N 1 2 340.449 1.279 20 30 EDEDLO CO[C@H](C)c1nc(CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000329980319 444797660 /nfs/dbraw/zinc/79/76/60/444797660.db2.gz LCKKPCHDUUCHGT-WXHSDQCUSA-N 1 2 340.449 1.279 20 30 EDEDLO CCN1CCN(C(=O)NCCc2nccs2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329963129 444789752 /nfs/dbraw/zinc/78/97/52/444789752.db2.gz PROMOMINDRMDSV-GFCCVEGCSA-N 1 2 334.449 1.702 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000330088467 444840394 /nfs/dbraw/zinc/84/03/94/444840394.db2.gz USBVMKPSHLEUKS-PBHICJAKSA-N 1 2 349.431 1.400 20 30 EDEDLO CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000330103702 444845354 /nfs/dbraw/zinc/84/53/54/444845354.db2.gz GNFUAMYEHOHDPA-JTQLQIEISA-N 1 2 347.444 1.979 20 30 EDEDLO CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000330103702 444845356 /nfs/dbraw/zinc/84/53/56/444845356.db2.gz GNFUAMYEHOHDPA-JTQLQIEISA-N 1 2 347.444 1.979 20 30 EDEDLO O=C(N[C@@H]1CCCc2cn[nH]c21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330125988 444853627 /nfs/dbraw/zinc/85/36/27/444853627.db2.gz IODWXEAWXBRVOX-UKRRQHHQSA-N 1 2 333.436 1.355 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000336930013 444859245 /nfs/dbraw/zinc/85/92/45/444859245.db2.gz YTVBHLAIKJMMKW-CQSZACIVSA-N 1 2 347.444 1.357 20 30 EDEDLO C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCCC[C@@H]1C ZINC000330190945 444879580 /nfs/dbraw/zinc/87/95/80/444879580.db2.gz MTMWHOMHHDTLHF-MELADBBJSA-N 1 2 333.436 1.491 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000330194690 444881847 /nfs/dbraw/zinc/88/18/47/444881847.db2.gz OWBVUPCLYLGENM-GFCCVEGCSA-N 1 2 331.401 1.173 20 30 EDEDLO C=C(C)COc1cc(C[NH+]2CCN(C(=O)CO)CC2)ccc1OC ZINC000342855002 444896117 /nfs/dbraw/zinc/89/61/17/444896117.db2.gz HTINLISEMFJBDB-UHFFFAOYSA-N 1 2 334.416 1.287 20 30 EDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC(=O)N1CCCC1 ZINC000330275125 444917777 /nfs/dbraw/zinc/91/77/77/444917777.db2.gz LBNBSBJHHDUBPK-AWEZNQCLSA-N 1 2 333.436 1.966 20 30 EDEDLO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000330289140 444923656 /nfs/dbraw/zinc/92/36/56/444923656.db2.gz DRDPUCVRBAITQS-LSDHHAIUSA-N 1 2 332.404 1.120 20 30 EDEDLO C[C@@H]1CCS(=O)(=O)CCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000330338602 444942832 /nfs/dbraw/zinc/94/28/32/444942832.db2.gz VPNFEFLJPWVDAE-CHWSQXEVSA-N 1 2 340.449 1.184 20 30 EDEDLO CCCC[N@H+](CC(=O)N(CC)CCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000343046963 445026598 /nfs/dbraw/zinc/02/65/98/445026598.db2.gz UMYOHBPKSXPIPS-CQSZACIVSA-N 1 2 329.466 1.038 20 30 EDEDLO CCCC[N@@H+](CC(=O)N(CC)CCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000343046963 445026604 /nfs/dbraw/zinc/02/66/04/445026604.db2.gz UMYOHBPKSXPIPS-CQSZACIVSA-N 1 2 329.466 1.038 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCc2ccccc2C)C1=O ZINC000337221612 444992085 /nfs/dbraw/zinc/99/20/85/444992085.db2.gz LKTFOUNQYCBBDZ-NVXWUHKLSA-N 1 2 329.444 1.718 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCc2ccccc2C)C1=O ZINC000337221612 444992089 /nfs/dbraw/zinc/99/20/89/444992089.db2.gz LKTFOUNQYCBBDZ-NVXWUHKLSA-N 1 2 329.444 1.718 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(F)cc2)C1=O ZINC000337236702 444998520 /nfs/dbraw/zinc/99/85/20/444998520.db2.gz YECDZIPEOZWUIW-BBRMVZONSA-N 1 2 333.407 1.722 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(F)cc2)C1=O ZINC000337236702 444998526 /nfs/dbraw/zinc/99/85/26/444998526.db2.gz YECDZIPEOZWUIW-BBRMVZONSA-N 1 2 333.407 1.722 20 30 EDEDLO Cc1nc(S(=O)(=O)N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cs1 ZINC000339033280 444998897 /nfs/dbraw/zinc/99/88/97/444998897.db2.gz NNZCLETZBXHZTP-OLZOCXBDSA-N 1 2 340.474 1.450 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000330483703 445000390 /nfs/dbraw/zinc/00/03/90/445000390.db2.gz VVCSPDSHSULQFJ-GOSISDBHSA-N 1 2 329.448 1.567 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000330643398 445076244 /nfs/dbraw/zinc/07/62/44/445076244.db2.gz DYDBUIMKYIMOHX-DNVCBOLYSA-N 1 2 344.459 1.957 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000339759886 445167746 /nfs/dbraw/zinc/16/77/46/445167746.db2.gz PGOOBVSZVBHSEM-AWEZNQCLSA-N 1 2 346.818 1.924 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339490319 445145457 /nfs/dbraw/zinc/14/54/57/445145457.db2.gz KKPMETFUCYUHBG-UHFFFAOYSA-N 1 2 342.399 1.271 20 30 EDEDLO CN(C)[C@H](C(=O)N1C[C@@H](C#N)[C@@H](c2ccccc2)C1)c1c[nH+]cn1C ZINC000346416528 445214429 /nfs/dbraw/zinc/21/44/29/445214429.db2.gz ZNJJGUBVIJYSFZ-NUJGCVRESA-N 1 2 337.427 1.789 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000343410576 445217777 /nfs/dbraw/zinc/21/77/77/445217777.db2.gz UUPLMFORQKWKFF-UHFFFAOYSA-N 1 2 337.427 1.231 20 30 EDEDLO CC[N@H+](CCC#N)[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000348543740 445321680 /nfs/dbraw/zinc/32/16/80/445321680.db2.gz MGAOHHVOLHQKIV-CQSZACIVSA-N 1 2 331.416 1.741 20 30 EDEDLO CC[N@@H+](CCC#N)[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000348543740 445321682 /nfs/dbraw/zinc/32/16/82/445321682.db2.gz MGAOHHVOLHQKIV-CQSZACIVSA-N 1 2 331.416 1.741 20 30 EDEDLO C=CCCCNC(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000343649345 445281330 /nfs/dbraw/zinc/28/13/30/445281330.db2.gz YBEYZZWUOHYFRE-WMLDXEAASA-N 1 2 330.432 1.945 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000348414758 445283065 /nfs/dbraw/zinc/28/30/65/445283065.db2.gz YHHIBEORKOHQDQ-HOTGVXAUSA-N 1 2 333.480 1.901 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000348414758 445283069 /nfs/dbraw/zinc/28/30/69/445283069.db2.gz YHHIBEORKOHQDQ-HOTGVXAUSA-N 1 2 333.480 1.901 20 30 EDEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000351716157 445289368 /nfs/dbraw/zinc/28/93/68/445289368.db2.gz BVIXSIHJPROLMZ-UHFFFAOYSA-N 1 2 330.344 1.824 20 30 EDEDLO N#Cc1cscc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000351839854 445339036 /nfs/dbraw/zinc/33/90/36/445339036.db2.gz VWRYQAOOYTUJKC-UHFFFAOYSA-N 1 2 340.408 1.715 20 30 EDEDLO N#Cc1cscc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000351839854 445339038 /nfs/dbraw/zinc/33/90/38/445339038.db2.gz VWRYQAOOYTUJKC-UHFFFAOYSA-N 1 2 340.408 1.715 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@@H]2CNc2ccc(Cl)c(C#N)n2)cn1 ZINC000359658102 445360906 /nfs/dbraw/zinc/36/09/06/445360906.db2.gz BCDZLUMQGXLVTM-QWHCGFSZSA-N 1 2 348.813 2.365 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@@H]2CNc2ccc(Cl)c(C#N)n2)cn1 ZINC000359658102 445360909 /nfs/dbraw/zinc/36/09/09/445360909.db2.gz BCDZLUMQGXLVTM-QWHCGFSZSA-N 1 2 348.813 2.365 20 30 EDEDLO N#Cc1ccc(OC2CN(C(=O)C3([NH+]4CCOCC4)CCC3)C2)cc1 ZINC000359853696 445461426 /nfs/dbraw/zinc/46/14/26/445461426.db2.gz TVSAQZVZBUQNBN-UHFFFAOYSA-N 1 2 341.411 1.403 20 30 EDEDLO COC(=O)C1(NC(=O)C[NH+]2CCC(F)(C#N)CC2)CCCCC1 ZINC000352489973 445533083 /nfs/dbraw/zinc/53/30/83/445533083.db2.gz FLRDRWISJFEYIF-UHFFFAOYSA-N 1 2 325.384 1.306 20 30 EDEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCC(=O)OC ZINC000352903263 445564075 /nfs/dbraw/zinc/56/40/75/445564075.db2.gz PIOVFBRLICXGQA-CQSZACIVSA-N 1 2 336.436 1.520 20 30 EDEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCC(=O)OC ZINC000352903263 445564081 /nfs/dbraw/zinc/56/40/81/445564081.db2.gz PIOVFBRLICXGQA-CQSZACIVSA-N 1 2 336.436 1.520 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000357838467 445586282 /nfs/dbraw/zinc/58/62/82/445586282.db2.gz LCJIVRTWSAVRGQ-INIZCTEOSA-N 1 2 335.452 1.020 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000357838467 445586286 /nfs/dbraw/zinc/58/62/86/445586286.db2.gz LCJIVRTWSAVRGQ-INIZCTEOSA-N 1 2 335.452 1.020 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000352686340 445547789 /nfs/dbraw/zinc/54/77/89/445547789.db2.gz NGFXHEUKJRJCMA-HZSPNIEDSA-N 1 2 341.333 1.577 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000352686340 445547792 /nfs/dbraw/zinc/54/77/92/445547792.db2.gz NGFXHEUKJRJCMA-HZSPNIEDSA-N 1 2 341.333 1.577 20 30 EDEDLO Cn1ncc(C(=O)NC[C@H]2C[C@@H](F)C[N@@H+]2Cc2cccs2)c1C#N ZINC000356103082 445622817 /nfs/dbraw/zinc/62/28/17/445622817.db2.gz TZADUCMMBANLJU-VXGBXAGGSA-N 1 2 347.419 1.696 20 30 EDEDLO Cn1ncc(C(=O)NC[C@H]2C[C@@H](F)C[N@H+]2Cc2cccs2)c1C#N ZINC000356103082 445622819 /nfs/dbraw/zinc/62/28/19/445622819.db2.gz TZADUCMMBANLJU-VXGBXAGGSA-N 1 2 347.419 1.696 20 30 EDEDLO CC(C)N1C(=O)N[C@]2(CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1=O ZINC000360140437 445591330 /nfs/dbraw/zinc/59/13/30/445591330.db2.gz JYZUQLPOPVKYOK-KRWDZBQOSA-N 1 2 330.363 1.602 20 30 EDEDLO CC(C)N1C(=O)N[C@]2(CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1=O ZINC000360140437 445591331 /nfs/dbraw/zinc/59/13/31/445591331.db2.gz JYZUQLPOPVKYOK-KRWDZBQOSA-N 1 2 330.363 1.602 20 30 EDEDLO CO[C@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000349775530 445674141 /nfs/dbraw/zinc/67/41/41/445674141.db2.gz RFCSRYBQKGPHHK-MSOLQXFVSA-N 1 2 342.443 1.953 20 30 EDEDLO N#Cc1ccc(-n2ccc(NC(=O)NCc3[nH]cc[nH+]3)n2)c(Cl)c1 ZINC000360390159 445704159 /nfs/dbraw/zinc/70/41/59/445704159.db2.gz RTVOYJRXOUDJCM-UHFFFAOYSA-N 1 2 341.762 2.442 20 30 EDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356331593 445738249 /nfs/dbraw/zinc/73/82/49/445738249.db2.gz MSPMIZRAUKHJHA-MSOLQXFVSA-N 1 2 345.443 1.225 20 30 EDEDLO Cc1n[nH]c(C2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)n1 ZINC000366006380 445957955 /nfs/dbraw/zinc/95/79/55/445957955.db2.gz LPAKYBZSOUOREC-UHFFFAOYSA-N 1 2 338.415 1.481 20 30 EDEDLO Cc1nc(C2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)n[nH]1 ZINC000366006380 445957961 /nfs/dbraw/zinc/95/79/61/445957961.db2.gz LPAKYBZSOUOREC-UHFFFAOYSA-N 1 2 338.415 1.481 20 30 EDEDLO Cc1nnc(C2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)[nH]1 ZINC000366006380 445957972 /nfs/dbraw/zinc/95/79/72/445957972.db2.gz LPAKYBZSOUOREC-UHFFFAOYSA-N 1 2 338.415 1.481 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000372988591 445962030 /nfs/dbraw/zinc/96/20/30/445962030.db2.gz DMOUFBVXCYEZRI-UHFFFAOYSA-N 1 2 340.368 1.012 20 30 EDEDLO C=CCOc1cccc(NS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000361809737 445963521 /nfs/dbraw/zinc/96/35/21/445963521.db2.gz SNRPYTNCNMHDHK-UHFFFAOYSA-N 1 2 340.445 1.715 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000364900630 445966300 /nfs/dbraw/zinc/96/63/00/445966300.db2.gz MVBHTMOOKLHRNJ-CYBMUJFWSA-N 1 2 347.433 1.235 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000583852828 326151262 /nfs/dbraw/zinc/15/12/62/326151262.db2.gz OCGDSOSQMGSLPA-UHFFFAOYSA-N 1 2 337.383 1.442 20 30 EDEDLO C=CCOCCCC(=O)NC[C@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351536791 446137550 /nfs/dbraw/zinc/13/75/50/446137550.db2.gz SDIUNEZTFGRODM-JKSUJKDBSA-N 1 2 338.427 1.432 20 30 EDEDLO C=CCOCCCC(=O)NC[C@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351536791 446137552 /nfs/dbraw/zinc/13/75/52/446137552.db2.gz SDIUNEZTFGRODM-JKSUJKDBSA-N 1 2 338.427 1.432 20 30 EDEDLO CN(C[C@@H]1CCn2cc[nH+]c2C1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000369348021 446091675 /nfs/dbraw/zinc/09/16/75/446091675.db2.gz GSBSCVLZCGUFQU-GFCCVEGCSA-N 1 2 348.403 1.777 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000365241166 446095303 /nfs/dbraw/zinc/09/53/03/446095303.db2.gz LCCGWVCOZISGBZ-LIRRHRJNSA-N 1 2 331.379 1.742 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000365241166 446095309 /nfs/dbraw/zinc/09/53/09/446095309.db2.gz LCCGWVCOZISGBZ-LIRRHRJNSA-N 1 2 331.379 1.742 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000365241165 446095877 /nfs/dbraw/zinc/09/58/77/446095877.db2.gz LCCGWVCOZISGBZ-KUHUBIRLSA-N 1 2 331.379 1.742 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000365241165 446095878 /nfs/dbraw/zinc/09/58/78/446095878.db2.gz LCCGWVCOZISGBZ-KUHUBIRLSA-N 1 2 331.379 1.742 20 30 EDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN3C(=O)N(C)C(=O)[C@H]3C2)cc1 ZINC000369415583 446118957 /nfs/dbraw/zinc/11/89/57/446118957.db2.gz AMCNFTOACSMGRQ-IUODEOHRSA-N 1 2 328.372 1.056 20 30 EDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN3C(=O)N(C)C(=O)[C@H]3C2)cc1 ZINC000369415583 446118958 /nfs/dbraw/zinc/11/89/58/446118958.db2.gz AMCNFTOACSMGRQ-IUODEOHRSA-N 1 2 328.372 1.056 20 30 EDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000369523652 446127724 /nfs/dbraw/zinc/12/77/24/446127724.db2.gz XALCGAUKGDSWNP-PJIJBLCYSA-N 1 2 340.427 1.587 20 30 EDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000369523652 446127728 /nfs/dbraw/zinc/12/77/28/446127728.db2.gz XALCGAUKGDSWNP-PJIJBLCYSA-N 1 2 340.427 1.587 20 30 EDEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000370257041 446199896 /nfs/dbraw/zinc/19/98/96/446199896.db2.gz RTRSLSCHWDXGSR-UHFFFAOYSA-N 1 2 334.445 1.292 20 30 EDEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000370257041 446199900 /nfs/dbraw/zinc/19/99/00/446199900.db2.gz RTRSLSCHWDXGSR-UHFFFAOYSA-N 1 2 334.445 1.292 20 30 EDEDLO N#Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)cc1 ZINC000370297022 446219569 /nfs/dbraw/zinc/21/95/69/446219569.db2.gz FCUWOKLRNVRPMX-MRXNPFEDSA-N 1 2 341.415 1.376 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366449258 446220370 /nfs/dbraw/zinc/22/03/70/446220370.db2.gz VUIIGLFQWRHFNW-GJZGRUSLSA-N 1 2 343.493 1.284 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366449258 446220374 /nfs/dbraw/zinc/22/03/74/446220374.db2.gz VUIIGLFQWRHFNW-GJZGRUSLSA-N 1 2 343.493 1.284 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])ccc1NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000370573393 446336726 /nfs/dbraw/zinc/33/67/26/446336726.db2.gz DOGAPAKABLUWCY-KRWDZBQOSA-N 1 2 346.387 1.760 20 30 EDEDLO C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1c1ccc(F)cc1C#N ZINC000374153217 446354453 /nfs/dbraw/zinc/35/44/53/446354453.db2.gz GHTWDBWRYZHLAX-WMLDXEAASA-N 1 2 332.423 1.538 20 30 EDEDLO C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1c1ccc(F)cc1C#N ZINC000374153217 446354457 /nfs/dbraw/zinc/35/44/57/446354457.db2.gz GHTWDBWRYZHLAX-WMLDXEAASA-N 1 2 332.423 1.538 20 30 EDEDLO Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(C#N)o3)CC2)[nH+]c1 ZINC000376242072 446395938 /nfs/dbraw/zinc/39/59/38/446395938.db2.gz LOKMIFXDVVPTKU-UHFFFAOYSA-N 1 2 346.412 1.802 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374830997 446409803 /nfs/dbraw/zinc/40/98/03/446409803.db2.gz VNKIZEHWVPYSRW-UHFFFAOYSA-N 1 2 349.456 1.567 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000374830997 446409807 /nfs/dbraw/zinc/40/98/07/446409807.db2.gz VNKIZEHWVPYSRW-UHFFFAOYSA-N 1 2 349.456 1.567 20 30 EDEDLO C[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411439422 446544151 /nfs/dbraw/zinc/54/41/51/446544151.db2.gz PYCUAQBDTXSHRT-CHWSQXEVSA-N 1 2 327.306 1.519 20 30 EDEDLO C[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411439422 446544156 /nfs/dbraw/zinc/54/41/56/446544156.db2.gz PYCUAQBDTXSHRT-CHWSQXEVSA-N 1 2 327.306 1.519 20 30 EDEDLO C[N@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)CC(C)(C)C#N ZINC000433306891 446554163 /nfs/dbraw/zinc/55/41/63/446554163.db2.gz UFVWLVPORQVYLB-UHFFFAOYSA-N 1 2 330.432 1.372 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)CC(C)(C)C#N ZINC000433306891 446554168 /nfs/dbraw/zinc/55/41/68/446554168.db2.gz UFVWLVPORQVYLB-UHFFFAOYSA-N 1 2 330.432 1.372 20 30 EDEDLO C=CCn1c([C@@H]2CCCCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000453439111 446557283 /nfs/dbraw/zinc/55/72/83/446557283.db2.gz LEHLYFQFKHCFCM-HNNXBMFYSA-N 1 2 335.452 1.474 20 30 EDEDLO C#CCNC(=O)c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)nc1 ZINC000368107412 446645055 /nfs/dbraw/zinc/64/50/55/446645055.db2.gz FKJPABDQUPLRRH-UHFFFAOYSA-N 1 2 332.367 1.637 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434698407 446658252 /nfs/dbraw/zinc/65/82/52/446658252.db2.gz UZNGSJALOFKJLV-MAUKXSAKSA-N 1 2 338.496 1.472 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434698407 446658257 /nfs/dbraw/zinc/65/82/57/446658257.db2.gz UZNGSJALOFKJLV-MAUKXSAKSA-N 1 2 338.496 1.472 20 30 EDEDLO C=CCOC[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000435945109 446717542 /nfs/dbraw/zinc/71/75/42/446717542.db2.gz UPCDSPDJJLTDFK-CVEARBPZSA-N 1 2 332.400 1.121 20 30 EDEDLO C=CCOC[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)C(=O)OC ZINC000435945109 446717548 /nfs/dbraw/zinc/71/75/48/446717548.db2.gz UPCDSPDJJLTDFK-CVEARBPZSA-N 1 2 332.400 1.121 20 30 EDEDLO N#CCCn1ccc(=NC(=O)NCCNc2ccc3ccccc3[nH+]2)[nH]1 ZINC000438334533 446792204 /nfs/dbraw/zinc/79/22/04/446792204.db2.gz YEOPGFJMYARFSB-UHFFFAOYSA-N 1 2 349.398 1.422 20 30 EDEDLO C=CCC[C@H](CO)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000454529049 446900767 /nfs/dbraw/zinc/90/07/67/446900767.db2.gz FEEUQTAKGWGYSJ-MRXNPFEDSA-N 1 2 333.432 1.967 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)[C@H]1C(=O)OC ZINC000441649342 446871900 /nfs/dbraw/zinc/87/19/00/446871900.db2.gz GYTGPSPLMYYVCO-HZPDHXFCSA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)[C@H]1C(=O)OC ZINC000441649342 446871908 /nfs/dbraw/zinc/87/19/08/446871908.db2.gz GYTGPSPLMYYVCO-HZPDHXFCSA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000371536787 446919631 /nfs/dbraw/zinc/91/96/31/446919631.db2.gz GHGJEALJXSVIEV-GJZGRUSLSA-N 1 2 348.399 1.598 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000371536787 446919639 /nfs/dbraw/zinc/91/96/39/446919639.db2.gz GHGJEALJXSVIEV-GJZGRUSLSA-N 1 2 348.399 1.598 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2ccc(C(=O)NC)n2C)C1=O ZINC000375613864 446924164 /nfs/dbraw/zinc/92/41/64/446924164.db2.gz PKKFGPWLZQFEKN-WBVHZDCISA-N 1 2 344.459 1.699 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2ccc(C(=O)NC)n2C)C1=O ZINC000375613864 446924170 /nfs/dbraw/zinc/92/41/70/446924170.db2.gz PKKFGPWLZQFEKN-WBVHZDCISA-N 1 2 344.459 1.699 20 30 EDEDLO Cc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1C#N ZINC000375621843 446930505 /nfs/dbraw/zinc/93/05/05/446930505.db2.gz XQLCPFPGJGFOMK-GOSISDBHSA-N 1 2 345.468 1.804 20 30 EDEDLO N#Cc1cccc(-c2c[nH+]c(CNc3nccn(C(F)F)c3=O)[nH]2)c1 ZINC000377175273 446971439 /nfs/dbraw/zinc/97/14/39/446971439.db2.gz LDYOSPQOWIPKLZ-UHFFFAOYSA-N 1 2 342.309 2.512 20 30 EDEDLO Cc1cc(N2CCN(c3nccn4cnnc34)[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425245552 447078626 /nfs/dbraw/zinc/07/86/26/447078626.db2.gz WRTAIYQKYODQLG-CYBMUJFWSA-N 1 2 334.387 1.415 20 30 EDEDLO CC(C)(C)N1CC[C@@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)C1=O ZINC000425400657 447146364 /nfs/dbraw/zinc/14/63/64/447146364.db2.gz CVZKKNBXINIUHY-OAHLLOKOSA-N 1 2 327.432 1.475 20 30 EDEDLO C=CCn1cc(C[NH2+]Cc2c(C)nn(CC(=O)OCC)c2C)nn1 ZINC000425359703 447127892 /nfs/dbraw/zinc/12/78/92/447127892.db2.gz WMXHEYCPGILBCK-UHFFFAOYSA-N 1 2 332.408 1.130 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368964797 447230524 /nfs/dbraw/zinc/23/05/24/447230524.db2.gz HQANLXQMKDJLMI-GHJWDPDVSA-N 1 2 346.818 1.736 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368964797 447230530 /nfs/dbraw/zinc/23/05/30/447230530.db2.gz HQANLXQMKDJLMI-GHJWDPDVSA-N 1 2 346.818 1.736 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccn(C(CC)CC)n2)CC1 ZINC000448059681 447302976 /nfs/dbraw/zinc/30/29/76/447302976.db2.gz DEBVCTCSMXSQHG-UHFFFAOYSA-N 1 2 333.480 1.664 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495703118 447553995 /nfs/dbraw/zinc/55/39/95/447553995.db2.gz ZPKCEIUNOQHSLX-KBPBESRZSA-N 1 2 336.436 1.300 20 30 EDEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)N(C)CCC#N ZINC000428378505 447693261 /nfs/dbraw/zinc/69/32/61/447693261.db2.gz XFORWHDHVUUMIH-UHFFFAOYSA-N 1 2 327.454 1.248 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc(C(=O)OC)s3)CC2)C1=O ZINC000459513076 447693986 /nfs/dbraw/zinc/69/39/86/447693986.db2.gz OKICIYZWVYSFGL-ZDUSSCGKSA-N 1 2 349.456 1.444 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C(C)(C)C(N)=O)cc1 ZINC000451142844 447698963 /nfs/dbraw/zinc/69/89/63/447698963.db2.gz XLMXUZZLKQGBOW-UHFFFAOYSA-N 1 2 346.431 1.528 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C(C)(C)C(N)=O)cc1 ZINC000451142844 447698964 /nfs/dbraw/zinc/69/89/64/447698964.db2.gz XLMXUZZLKQGBOW-UHFFFAOYSA-N 1 2 346.431 1.528 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000459432998 447664290 /nfs/dbraw/zinc/66/42/90/447664290.db2.gz AUNAPZVRNTUPGP-NSHDSACASA-N 1 2 329.316 1.935 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000459432998 447664297 /nfs/dbraw/zinc/66/42/97/447664297.db2.gz AUNAPZVRNTUPGP-NSHDSACASA-N 1 2 329.316 1.935 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000459818241 447763415 /nfs/dbraw/zinc/76/34/15/447763415.db2.gz OTTYAJBWLREQRW-OAHLLOKOSA-N 1 2 330.432 1.402 20 30 EDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451357999 447727191 /nfs/dbraw/zinc/72/71/91/447727191.db2.gz FIRQELKSFMMYDY-NWDGAFQWSA-N 1 2 325.409 1.552 20 30 EDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451357999 447727194 /nfs/dbraw/zinc/72/71/94/447727194.db2.gz FIRQELKSFMMYDY-NWDGAFQWSA-N 1 2 325.409 1.552 20 30 EDEDLO Cc1ccoc1C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000429402967 447746803 /nfs/dbraw/zinc/74/68/03/447746803.db2.gz OEVBZRYHZXNESE-INIZCTEOSA-N 1 2 332.448 1.712 20 30 EDEDLO Cc1ccoc1C[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000429402967 447746806 /nfs/dbraw/zinc/74/68/06/447746806.db2.gz OEVBZRYHZXNESE-INIZCTEOSA-N 1 2 332.448 1.712 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430406050 447773173 /nfs/dbraw/zinc/77/31/73/447773173.db2.gz SZFWAUYQQFXBAH-ZBFHGGJFSA-N 1 2 346.431 1.213 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430406050 447773178 /nfs/dbraw/zinc/77/31/78/447773178.db2.gz SZFWAUYQQFXBAH-ZBFHGGJFSA-N 1 2 346.431 1.213 20 30 EDEDLO C[C@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c2[nH+]ccn21 ZINC000451947003 447794430 /nfs/dbraw/zinc/79/44/30/447794430.db2.gz OCQNIIVWQOAXHY-ONGXEEELSA-N 1 2 347.356 1.647 20 30 EDEDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)ccc1C#N ZINC000488082664 447841742 /nfs/dbraw/zinc/84/17/42/447841742.db2.gz YORYXGZMYISGQZ-OAHLLOKOSA-N 1 2 341.459 1.831 20 30 EDEDLO Cc1nc(CN2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cs1 ZINC000530337583 447863872 /nfs/dbraw/zinc/86/38/72/447863872.db2.gz RPHHZOPHYBNDGX-ZDUSSCGKSA-N 1 2 347.488 1.520 20 30 EDEDLO C#CCNC(=O)c1ccc(NCc2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000490651658 447894170 /nfs/dbraw/zinc/89/41/70/447894170.db2.gz USBLBPWEGRTXAD-UHFFFAOYSA-N 1 2 331.379 2.242 20 30 EDEDLO C#C[C@H](CC)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000491219351 447961896 /nfs/dbraw/zinc/96/18/96/447961896.db2.gz DOGGLILAKOKAGD-CYBMUJFWSA-N 1 2 329.404 1.003 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CCC1 ZINC000525886571 448048490 /nfs/dbraw/zinc/04/84/90/448048490.db2.gz XJYKXLWQQJGGAL-UHFFFAOYSA-N 1 2 344.434 1.896 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CCC1 ZINC000525886571 448048496 /nfs/dbraw/zinc/04/84/96/448048496.db2.gz XJYKXLWQQJGGAL-UHFFFAOYSA-N 1 2 344.434 1.896 20 30 EDEDLO CN(C)c1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2ccccc2n1 ZINC000576683505 448112347 /nfs/dbraw/zinc/11/23/47/448112347.db2.gz NECVNPMHWBGPKR-GOSISDBHSA-N 1 2 325.416 1.874 20 30 EDEDLO N#CC1(NC(=O)CN2CCc3c([nH+]cn3-c3ccccc3)C2)CCC1 ZINC000527135845 448168614 /nfs/dbraw/zinc/16/86/14/448168614.db2.gz PSXCSRYQWYNQRE-UHFFFAOYSA-N 1 2 335.411 1.793 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527135578 448169074 /nfs/dbraw/zinc/16/90/74/448169074.db2.gz RCDMFFFSIDFWLU-HZPDHXFCSA-N 1 2 347.459 1.993 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527135578 448169078 /nfs/dbraw/zinc/16/90/78/448169078.db2.gz RCDMFFFSIDFWLU-HZPDHXFCSA-N 1 2 347.459 1.993 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCC(c3ccccc3)=N2)C1=O ZINC000532475364 448263974 /nfs/dbraw/zinc/26/39/74/448263974.db2.gz AYGRAQYKVOEDGJ-KRWDZBQOSA-N 1 2 340.427 1.342 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCC(c3ccccc3)=N2)C1=O ZINC000532475364 448263983 /nfs/dbraw/zinc/26/39/83/448263983.db2.gz AYGRAQYKVOEDGJ-KRWDZBQOSA-N 1 2 340.427 1.342 20 30 EDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1-c1nc(C)cc(C)n1 ZINC000563816073 448314808 /nfs/dbraw/zinc/31/48/08/448314808.db2.gz ZQUBBBKGFLLBDS-QGZVFWFLSA-N 1 2 341.419 1.161 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)C=Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000492759755 448282548 /nfs/dbraw/zinc/28/25/48/448282548.db2.gz CQVJFTJRZLHRQV-SBSDFTTDSA-N 1 2 335.367 1.606 20 30 EDEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3ccccn3)CC1)CCOC2 ZINC000582826302 448348752 /nfs/dbraw/zinc/34/87/52/448348752.db2.gz GUAVHOWPVHTVTB-UHFFFAOYSA-N 1 2 335.411 1.743 20 30 EDEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000591375707 448350475 /nfs/dbraw/zinc/35/04/75/448350475.db2.gz VIDGEYUWWLIEKS-DNVCBOLYSA-N 1 2 343.427 1.937 20 30 EDEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000591375707 448350480 /nfs/dbraw/zinc/35/04/80/448350480.db2.gz VIDGEYUWWLIEKS-DNVCBOLYSA-N 1 2 343.427 1.937 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000582840160 448354028 /nfs/dbraw/zinc/35/40/28/448354028.db2.gz KXFJXSVLRRQMJF-XHSDSOJGSA-N 1 2 330.432 1.491 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000582840160 448354034 /nfs/dbraw/zinc/35/40/34/448354034.db2.gz KXFJXSVLRRQMJF-XHSDSOJGSA-N 1 2 330.432 1.491 20 30 EDEDLO N#CC1CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000565290577 448363009 /nfs/dbraw/zinc/36/30/09/448363009.db2.gz OWSDOCQETHXSIT-UHFFFAOYSA-N 1 2 346.456 1.154 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000578108202 448461274 /nfs/dbraw/zinc/46/12/74/448461274.db2.gz JMMNDAYKJZEBKJ-GOSISDBHSA-N 1 2 344.415 1.152 20 30 EDEDLO Cc1nsc(NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)c1C#N ZINC000584336981 448487070 /nfs/dbraw/zinc/48/70/70/448487070.db2.gz GJTOSDBXRJEQOT-UHFFFAOYSA-N 1 2 345.432 1.406 20 30 EDEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(N3CN=NC3=O)CC2)c1 ZINC000572982069 448514489 /nfs/dbraw/zinc/51/44/89/448514489.db2.gz JYRPFZMJFWJRTK-UHFFFAOYSA-N 1 2 326.360 1.131 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000573200996 448566088 /nfs/dbraw/zinc/56/60/88/448566088.db2.gz YRZGYMKOTJLWBM-OAHLLOKOSA-N 1 2 345.428 1.261 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000573200996 448566094 /nfs/dbraw/zinc/56/60/94/448566094.db2.gz YRZGYMKOTJLWBM-OAHLLOKOSA-N 1 2 345.428 1.261 20 30 EDEDLO COc1ccc2ncc(C#N)c(NC[C@H]3CN(C)CC[N@@H+]3C)c2c1 ZINC000591912947 448571334 /nfs/dbraw/zinc/57/13/34/448571334.db2.gz WZBDMPPVNXRXKR-AWEZNQCLSA-N 1 2 325.416 1.195 20 30 EDEDLO COc1ccc2ncc(C#N)c(NC[C@H]3CN(C)CC[N@H+]3C)c2c1 ZINC000591912947 448571337 /nfs/dbraw/zinc/57/13/37/448571337.db2.gz WZBDMPPVNXRXKR-AWEZNQCLSA-N 1 2 325.416 1.195 20 30 EDEDLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccncc1C#N ZINC000592121825 448696118 /nfs/dbraw/zinc/69/61/18/448696118.db2.gz DXVMLTOFNLWGRU-UHFFFAOYSA-N 1 2 346.412 1.111 20 30 EDEDLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccncc1C#N ZINC000592121825 448696122 /nfs/dbraw/zinc/69/61/22/448696122.db2.gz DXVMLTOFNLWGRU-UHFFFAOYSA-N 1 2 346.412 1.111 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1F ZINC000592147717 448707262 /nfs/dbraw/zinc/70/72/62/448707262.db2.gz NTTBYYZVPWOVJN-QGZVFWFLSA-N 1 2 335.379 1.143 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1F ZINC000592147717 448707266 /nfs/dbraw/zinc/70/72/66/448707266.db2.gz NTTBYYZVPWOVJN-QGZVFWFLSA-N 1 2 335.379 1.143 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592147274 448708008 /nfs/dbraw/zinc/70/80/08/448708008.db2.gz MYUYZYRTZQHUMT-SFHVURJKSA-N 1 2 347.415 1.013 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1OC ZINC000592147274 448708011 /nfs/dbraw/zinc/70/80/11/448708011.db2.gz MYUYZYRTZQHUMT-SFHVURJKSA-N 1 2 347.415 1.013 20 30 EDEDLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149909 448709939 /nfs/dbraw/zinc/70/99/39/448709939.db2.gz ZPTLQFGAQAIXRY-INIZCTEOSA-N 1 2 337.807 1.315 20 30 EDEDLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149909 448709944 /nfs/dbraw/zinc/70/99/44/448709944.db2.gz ZPTLQFGAQAIXRY-INIZCTEOSA-N 1 2 337.807 1.315 20 30 EDEDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)cccc1[N+](=O)[O-] ZINC000592149619 448710530 /nfs/dbraw/zinc/71/05/30/448710530.db2.gz SGNHXWBOHKVHEU-BLLLJJGKSA-N 1 2 332.360 1.581 20 30 EDEDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)cccc1[N+](=O)[O-] ZINC000592149619 448710535 /nfs/dbraw/zinc/71/05/35/448710535.db2.gz SGNHXWBOHKVHEU-BLLLJJGKSA-N 1 2 332.360 1.581 20 30 EDEDLO COC(=O)c1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc(C(=O)OC)c1 ZINC000592150844 448712059 /nfs/dbraw/zinc/71/20/59/448712059.db2.gz HOZOXSKEFMVCSJ-KRWDZBQOSA-N 1 2 332.356 1.110 20 30 EDEDLO COC(=O)c1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc(C(=O)OC)c1 ZINC000592150844 448712062 /nfs/dbraw/zinc/71/20/62/448712062.db2.gz HOZOXSKEFMVCSJ-KRWDZBQOSA-N 1 2 332.356 1.110 20 30 EDEDLO COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@](O)(CC#N)C3)C2=O)c1 ZINC000592150308 448712219 /nfs/dbraw/zinc/71/22/19/448712219.db2.gz DOZVXFYCDVPWES-FUHWJXTLSA-N 1 2 345.399 1.160 20 30 EDEDLO COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@](O)(CC#N)C3)C2=O)c1 ZINC000592150308 448712221 /nfs/dbraw/zinc/71/22/21/448712221.db2.gz DOZVXFYCDVPWES-FUHWJXTLSA-N 1 2 345.399 1.160 20 30 EDEDLO C=CCn1cc(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000579347944 448772202 /nfs/dbraw/zinc/77/22/02/448772202.db2.gz VRRHATLLJJOVOE-HIFRSBDPSA-N 1 2 329.408 1.453 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000585800781 448782882 /nfs/dbraw/zinc/78/28/82/448782882.db2.gz LFBSTQIGVRWFBG-RCCFBDPRSA-N 1 2 343.427 1.749 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000585800781 448782885 /nfs/dbraw/zinc/78/28/85/448782885.db2.gz LFBSTQIGVRWFBG-RCCFBDPRSA-N 1 2 343.427 1.749 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000519678629 448815841 /nfs/dbraw/zinc/81/58/41/448815841.db2.gz GIVYSBHDYMUCHJ-QGZVFWFLSA-N 1 2 327.388 1.629 20 30 EDEDLO C=CCC[C@H]1NC(=O)N(Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1=O ZINC000520205712 448870672 /nfs/dbraw/zinc/87/06/72/448870672.db2.gz DZXWDTADLDJUDH-UKRRQHHQSA-N 1 2 344.415 1.693 20 30 EDEDLO CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)CC1(CC#N)CC1 ZINC000568370185 448861961 /nfs/dbraw/zinc/86/19/61/448861961.db2.gz KTBKAIPECNKXMP-UHFFFAOYSA-N 1 2 329.466 1.053 20 30 EDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@](C)(C#N)CN(C)C ZINC000568637920 448900444 /nfs/dbraw/zinc/90/04/44/448900444.db2.gz GTPKQLXVDLHUDV-MRXNPFEDSA-N 1 2 335.358 1.583 20 30 EDEDLO CNC(=O)NC[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000529642911 448915128 /nfs/dbraw/zinc/91/51/28/448915128.db2.gz OXMKBSUWOGNMBO-KRWDZBQOSA-N 1 2 346.431 1.499 20 30 EDEDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000529642911 448915133 /nfs/dbraw/zinc/91/51/33/448915133.db2.gz OXMKBSUWOGNMBO-KRWDZBQOSA-N 1 2 346.431 1.499 20 30 EDEDLO C=CCCCCCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000581556722 448978799 /nfs/dbraw/zinc/97/87/99/448978799.db2.gz PJWZOKPQGUUMDP-UHFFFAOYSA-N 1 2 335.452 2.083 20 30 EDEDLO CCn1c2nnc(C[NH2+][C@@H]3CCC[C@H]3C#N)n2c2ccccc2c1=O ZINC000589164115 448980173 /nfs/dbraw/zinc/98/01/73/448980173.db2.gz QIWXUZHIIRHSEB-GXTWGEPZSA-N 1 2 336.399 1.846 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595606570 449075274 /nfs/dbraw/zinc/07/52/74/449075274.db2.gz IIBXXASJMPMGRX-ZBFHGGJFSA-N 1 2 325.372 1.386 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595606570 449075278 /nfs/dbraw/zinc/07/52/78/449075278.db2.gz IIBXXASJMPMGRX-ZBFHGGJFSA-N 1 2 325.372 1.386 20 30 EDEDLO CCCCC(=O)N1CSC[C@@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000582244448 449046830 /nfs/dbraw/zinc/04/68/30/449046830.db2.gz BKPBNALZNMUJCL-DOMZBBRYSA-N 1 2 326.466 1.038 20 30 EDEDLO C[C@@H](CO)C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000593081685 449125891 /nfs/dbraw/zinc/12/58/91/449125891.db2.gz HEDMSROUXVEHRZ-ZDUSSCGKSA-N 1 2 337.445 1.067 20 30 EDEDLO N#Cc1sccc1N1CC[NH+](Cc2cc(=O)n3nccc3[nH]2)CC1 ZINC000595632590 449090536 /nfs/dbraw/zinc/09/05/36/449090536.db2.gz ZBSYUYWWZMOBNT-UHFFFAOYSA-N 1 2 340.412 1.278 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000590354488 449135891 /nfs/dbraw/zinc/13/58/91/449135891.db2.gz ZZWMIXUIFSXQRH-UHFFFAOYSA-N 1 2 328.376 1.196 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(O)(CO)CC1 ZINC000595734154 449136779 /nfs/dbraw/zinc/13/67/79/449136779.db2.gz WANWTBVLAQWONA-UHFFFAOYSA-N 1 2 335.429 1.060 20 30 EDEDLO N#Cc1nc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)sc1Cl ZINC000590573022 449197112 /nfs/dbraw/zinc/19/71/12/449197112.db2.gz QQXDNVYFCLXJGO-UHFFFAOYSA-N 1 2 334.792 1.743 20 30 EDEDLO CCCCNC(=O)CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000604271942 449199450 /nfs/dbraw/zinc/19/94/50/449199450.db2.gz POTSPCZJSWMMGZ-UHFFFAOYSA-N 1 2 344.459 1.471 20 30 EDEDLO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840249 449200539 /nfs/dbraw/zinc/20/05/39/449200539.db2.gz PXWOSJYVUWJFKA-SPYBWZPUSA-N 1 2 343.427 1.909 20 30 EDEDLO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840249 449200545 /nfs/dbraw/zinc/20/05/45/449200545.db2.gz PXWOSJYVUWJFKA-SPYBWZPUSA-N 1 2 343.427 1.909 20 30 EDEDLO CC[N@H+](CC(=O)N(C)C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000611204885 449213318 /nfs/dbraw/zinc/21/33/18/449213318.db2.gz FXGOXTYBOHTKEW-LLVKDONJSA-N 1 2 348.472 1.846 20 30 EDEDLO CC[N@@H+](CC(=O)N(C)C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000611204885 449213325 /nfs/dbraw/zinc/21/33/25/449213325.db2.gz FXGOXTYBOHTKEW-LLVKDONJSA-N 1 2 348.472 1.846 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595826278 449189344 /nfs/dbraw/zinc/18/93/44/449189344.db2.gz LTWCFJHJZJRFFN-DZGCQCFKSA-N 1 2 343.431 1.573 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595826278 449189349 /nfs/dbraw/zinc/18/93/49/449189349.db2.gz LTWCFJHJZJRFFN-DZGCQCFKSA-N 1 2 343.431 1.573 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595866147 449219080 /nfs/dbraw/zinc/21/90/80/449219080.db2.gz FGVVRPREWIBIKT-ZBFHGGJFSA-N 1 2 325.359 1.642 20 30 EDEDLO CN1CCCC[C@H]([N@H+](C)CC(=O)NCc2cccc(C#N)c2)C1=O ZINC000601971201 449253432 /nfs/dbraw/zinc/25/34/32/449253432.db2.gz VQUZZFDTOLQEBB-INIZCTEOSA-N 1 2 328.416 1.117 20 30 EDEDLO CN1CCCC[C@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C1=O ZINC000601971201 449253441 /nfs/dbraw/zinc/25/34/41/449253441.db2.gz VQUZZFDTOLQEBB-INIZCTEOSA-N 1 2 328.416 1.117 20 30 EDEDLO CN(C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[C@H]1C#N ZINC000602078551 449326078 /nfs/dbraw/zinc/32/60/78/449326078.db2.gz WMUHZISQYRJBTP-BBRMVZONSA-N 1 2 337.383 1.961 20 30 EDEDLO CN1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000596070285 449346881 /nfs/dbraw/zinc/34/68/81/449346881.db2.gz QDJRNCMCFRKBAL-RTBURBONSA-N 1 2 325.460 1.836 20 30 EDEDLO N#CCN1CCC(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000602108270 449351326 /nfs/dbraw/zinc/35/13/26/449351326.db2.gz IGGJRUQSVJHTIW-ZDUSSCGKSA-N 1 2 343.353 1.728 20 30 EDEDLO N#Cc1ccc(NCC(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000598342265 449356955 /nfs/dbraw/zinc/35/69/55/449356955.db2.gz FJTZGZICOWSGQV-UHFFFAOYSA-N 1 2 342.443 1.541 20 30 EDEDLO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)c1C#N ZINC000600425875 449369085 /nfs/dbraw/zinc/36/90/85/449369085.db2.gz PWTZGWYQAYVSIC-GFCCVEGCSA-N 1 2 346.456 1.613 20 30 EDEDLO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2COCC[N@H+]2C)c1C#N ZINC000600425875 449369087 /nfs/dbraw/zinc/36/90/87/449369087.db2.gz PWTZGWYQAYVSIC-GFCCVEGCSA-N 1 2 346.456 1.613 20 30 EDEDLO Cn1cc[nH+]c1[C@H](CC(=O)N[C@]1(C#N)CCSC1)C(F)(F)F ZINC000594258063 449415337 /nfs/dbraw/zinc/41/53/37/449415337.db2.gz ZURSWYHQYIJWKO-CABZTGNLSA-N 1 2 332.351 1.972 20 30 EDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000598592871 449480875 /nfs/dbraw/zinc/48/08/75/449480875.db2.gz NWGIAGSGSNAHLY-MRXNPFEDSA-N 1 2 333.407 1.771 20 30 EDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000598592871 449480880 /nfs/dbraw/zinc/48/08/80/449480880.db2.gz NWGIAGSGSNAHLY-MRXNPFEDSA-N 1 2 333.407 1.771 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000614219352 449513793 /nfs/dbraw/zinc/51/37/93/449513793.db2.gz KTKPIVZOGZTVGS-LESCRADOSA-N 1 2 346.427 1.766 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000614219352 449513797 /nfs/dbraw/zinc/51/37/97/449513797.db2.gz KTKPIVZOGZTVGS-LESCRADOSA-N 1 2 346.427 1.766 20 30 EDEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596581455 449560344 /nfs/dbraw/zinc/56/03/44/449560344.db2.gz OTZPUUYDWNEGLI-WMZOPIPTSA-N 1 2 340.427 1.662 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)c(OC)c1)C[C@H](O)C(F)(F)F ZINC000594611729 449594007 /nfs/dbraw/zinc/59/40/07/449594007.db2.gz CMMRABDCKDWWGY-AWEZNQCLSA-N 1 2 332.322 1.938 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)c(OC)c1)C[C@H](O)C(F)(F)F ZINC000594611729 449594013 /nfs/dbraw/zinc/59/40/13/449594013.db2.gz CMMRABDCKDWWGY-AWEZNQCLSA-N 1 2 332.322 1.938 20 30 EDEDLO N#C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000602465340 449610665 /nfs/dbraw/zinc/61/06/65/449610665.db2.gz PRWRWRKHWIENKH-GOSISDBHSA-N 1 2 331.416 1.122 20 30 EDEDLO CC(C)[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)N1Cc2ccccc2C1=O ZINC000598836541 449615115 /nfs/dbraw/zinc/61/51/15/449615115.db2.gz LUXDUEPYKDGPJV-QFBILLFUSA-N 1 2 342.443 1.627 20 30 EDEDLO C[C@@H](CC1(C#N)CCOCC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000602578444 449685311 /nfs/dbraw/zinc/68/53/11/449685311.db2.gz USVWXALVSJTPQR-INIZCTEOSA-N 1 2 347.463 1.726 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(c3cc(C#N)nc(C4CC4)n3)C2)CC1 ZINC000601112831 449697345 /nfs/dbraw/zinc/69/73/45/449697345.db2.gz HIMPAAMRDJNBPP-MRXNPFEDSA-N 1 2 326.448 1.442 20 30 EDEDLO CCCCNC(=O)C[NH+]1CCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601100233 449689455 /nfs/dbraw/zinc/68/94/55/449689455.db2.gz JAGZGMMULQMKDT-UHFFFAOYSA-N 1 2 342.447 1.264 20 30 EDEDLO COc1cccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602855804 449862080 /nfs/dbraw/zinc/86/20/80/449862080.db2.gz ITUSWLAKCITCRU-XHSDSOJGSA-N 1 2 344.459 1.618 20 30 EDEDLO COc1cccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602855804 449862086 /nfs/dbraw/zinc/86/20/86/449862086.db2.gz ITUSWLAKCITCRU-XHSDSOJGSA-N 1 2 344.459 1.618 20 30 EDEDLO C[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000602865444 449875473 /nfs/dbraw/zinc/87/54/73/449875473.db2.gz YDBDKMDCCRYZEL-CQSZACIVSA-N 1 2 328.416 1.431 20 30 EDEDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1OC ZINC000602866547 449876227 /nfs/dbraw/zinc/87/62/27/449876227.db2.gz VWLLXZJYWUYKBX-OKILXGFUSA-N 1 2 346.431 1.560 20 30 EDEDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1OC ZINC000602866547 449876233 /nfs/dbraw/zinc/87/62/33/449876233.db2.gz VWLLXZJYWUYKBX-OKILXGFUSA-N 1 2 346.431 1.560 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000614923485 449878237 /nfs/dbraw/zinc/87/82/37/449878237.db2.gz NQLXFVFFSIQENF-UHFFFAOYSA-N 1 2 333.432 1.334 20 30 EDEDLO Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[C@@H](CC#N)C3)cc2[nH+]1 ZINC000595043377 449848031 /nfs/dbraw/zinc/84/80/31/449848031.db2.gz WTXRWDUIWUJMLX-STQMWFEESA-N 1 2 325.372 1.780 20 30 EDEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000602846237 449852713 /nfs/dbraw/zinc/85/27/13/449852713.db2.gz DPBSBJWLGVIKCD-HZSPNIEDSA-N 1 2 328.416 1.114 20 30 EDEDLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000602846237 449852716 /nfs/dbraw/zinc/85/27/16/449852716.db2.gz DPBSBJWLGVIKCD-HZSPNIEDSA-N 1 2 328.416 1.114 20 30 EDEDLO C=CCCSCCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000597296363 449926897 /nfs/dbraw/zinc/92/68/97/449926897.db2.gz LNUXTAHHNRLCFL-MRXNPFEDSA-N 1 2 347.484 1.715 20 30 EDEDLO C=CCCSCCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000597296363 449926900 /nfs/dbraw/zinc/92/69/00/449926900.db2.gz LNUXTAHHNRLCFL-MRXNPFEDSA-N 1 2 347.484 1.715 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CCn3ccccc3=O)CC2)c(F)c1 ZINC000608788568 449938958 /nfs/dbraw/zinc/93/89/58/449938958.db2.gz BBRZYKJHMVRCEQ-UHFFFAOYSA-N 1 2 326.375 1.681 20 30 EDEDLO CC[C@@H](C)[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)OC ZINC000599396016 449942682 /nfs/dbraw/zinc/94/26/82/449942682.db2.gz FWZHSAMIENNJNL-CQSZACIVSA-N 1 2 342.395 1.560 20 30 EDEDLO CC[C@@H](C)[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)OC ZINC000599396016 449942684 /nfs/dbraw/zinc/94/26/84/449942684.db2.gz FWZHSAMIENNJNL-CQSZACIVSA-N 1 2 342.395 1.560 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CCO1 ZINC000609110392 449960832 /nfs/dbraw/zinc/96/08/32/449960832.db2.gz WPAHMGGJACHGDF-QAPCUYQASA-N 1 2 342.443 1.364 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CCO1 ZINC000609110392 449960839 /nfs/dbraw/zinc/96/08/39/449960839.db2.gz WPAHMGGJACHGDF-QAPCUYQASA-N 1 2 342.443 1.364 20 30 EDEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1C[C@H](O)CC(C)(C)C#N ZINC000599446396 449982239 /nfs/dbraw/zinc/98/22/39/449982239.db2.gz RVNBOWDSLDCELM-MLGOLLRUSA-N 1 2 328.420 1.391 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000602987684 449984897 /nfs/dbraw/zinc/98/48/97/449984897.db2.gz OEFIGSDBYFABSM-UONOGXRCSA-N 1 2 341.333 1.277 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000602987684 449984901 /nfs/dbraw/zinc/98/49/01/449984901.db2.gz OEFIGSDBYFABSM-UONOGXRCSA-N 1 2 341.333 1.277 20 30 EDEDLO N#Cc1cc(N2CC[NH+](CC(=O)N3CCCC3)CC2)nc2ccccc12 ZINC000609890785 450111918 /nfs/dbraw/zinc/11/19/18/450111918.db2.gz WPOLAARFPUTYKU-UHFFFAOYSA-N 1 2 349.438 1.851 20 30 EDEDLO CN(C(=O)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1)C1(C#N)CCCCC1 ZINC000603182235 450121380 /nfs/dbraw/zinc/12/13/80/450121380.db2.gz YHYHYNYYCDIAGW-OAHLLOKOSA-N 1 2 344.463 1.505 20 30 EDEDLO N#C[C@@]1(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCSC1 ZINC000610157464 450148601 /nfs/dbraw/zinc/14/86/01/450148601.db2.gz BYGLIZIAJXEHMQ-WBVHZDCISA-N 1 2 331.441 1.403 20 30 EDEDLO N#C[C@@]1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCSC1 ZINC000610157464 450148607 /nfs/dbraw/zinc/14/86/07/450148607.db2.gz BYGLIZIAJXEHMQ-WBVHZDCISA-N 1 2 331.441 1.403 20 30 EDEDLO N#C[C@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)CC12CCCC2 ZINC000597640506 450164574 /nfs/dbraw/zinc/16/45/74/450164574.db2.gz LDSOUXATIZMVAG-KDOFPFPSSA-N 1 2 343.431 1.872 20 30 EDEDLO N#C[C@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)CC12CCCC2 ZINC000597640506 450164581 /nfs/dbraw/zinc/16/45/81/450164581.db2.gz LDSOUXATIZMVAG-KDOFPFPSSA-N 1 2 343.431 1.872 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)ccc2n1C ZINC000615631091 450176151 /nfs/dbraw/zinc/17/61/51/450176151.db2.gz ALXQPNWEJGCTJC-INIZCTEOSA-N 1 2 329.335 1.284 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599667147 450139429 /nfs/dbraw/zinc/13/94/29/450139429.db2.gz CNFZSOXJNAULBN-INIZCTEOSA-N 1 2 329.400 1.521 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599667147 450139433 /nfs/dbraw/zinc/13/94/33/450139433.db2.gz CNFZSOXJNAULBN-INIZCTEOSA-N 1 2 329.400 1.521 20 30 EDEDLO COc1cc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c(F)cc1C#N ZINC000599811222 450231240 /nfs/dbraw/zinc/23/12/40/450231240.db2.gz SDSNZWRQZZFQTQ-CYBMUJFWSA-N 1 2 348.378 1.644 20 30 EDEDLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@](F)(C#N)C1 ZINC000615639524 450181703 /nfs/dbraw/zinc/18/17/03/450181703.db2.gz MDWCRMBPTACWGW-YOEHRIQHSA-N 1 2 331.395 1.056 20 30 EDEDLO COCc1cc(C#N)ccc1N1CC[NH+](C(C)(C)C(=O)OC)CC1 ZINC000603348916 450257902 /nfs/dbraw/zinc/25/79/02/450257902.db2.gz VIKUNZSYFHYGHW-UHFFFAOYSA-N 1 2 331.416 1.778 20 30 EDEDLO N#Cc1csc(C(=O)N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000603410124 450286305 /nfs/dbraw/zinc/28/63/05/450286305.db2.gz SRUXJXVNXBCGNL-OAHLLOKOSA-N 1 2 348.472 1.146 20 30 EDEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000619716403 450317442 /nfs/dbraw/zinc/31/74/42/450317442.db2.gz BAAZJNMZKPPSMX-INIZCTEOSA-N 1 2 334.416 1.549 20 30 EDEDLO C=CCOc1ccccc1CNS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631941895 450898878 /nfs/dbraw/zinc/89/88/78/450898878.db2.gz KGMGUVHQCWAGJV-HNNXBMFYSA-N 1 2 340.445 1.001 20 30 EDEDLO C=CCOc1ccccc1CNS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631941895 450898885 /nfs/dbraw/zinc/89/88/85/450898885.db2.gz KGMGUVHQCWAGJV-HNNXBMFYSA-N 1 2 340.445 1.001 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2csc(-c3cnn(C)c3)n2)nn1 ZINC000640960501 451705978 /nfs/dbraw/zinc/70/59/78/451705978.db2.gz HUJIRQPDDXIPOY-UHFFFAOYSA-N 1 2 327.417 1.296 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2cc(C)cc(C)c2)nn1 ZINC000641204496 451780487 /nfs/dbraw/zinc/78/04/87/451780487.db2.gz XJIMAUXNNDQAEV-KRWDZBQOSA-N 1 2 328.416 1.448 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@H](CC)c2cccc(S(N)(=O)=O)c2)nn1 ZINC000653604772 452037125 /nfs/dbraw/zinc/03/71/25/452037125.db2.gz XWRUZSOLBHFYQD-MRXNPFEDSA-N 1 2 349.460 1.743 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000645297890 452276584 /nfs/dbraw/zinc/27/65/84/452276584.db2.gz MAUCWJDRFBQIAB-IUODEOHRSA-N 1 2 339.386 1.641 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000650040634 452477581 /nfs/dbraw/zinc/47/75/81/452477581.db2.gz PBYDFUGJZNTQDB-TXEJJXNPSA-N 1 2 345.424 1.108 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000650040634 452477586 /nfs/dbraw/zinc/47/75/86/452477586.db2.gz PBYDFUGJZNTQDB-TXEJJXNPSA-N 1 2 345.424 1.108 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657923762 452614621 /nfs/dbraw/zinc/61/46/21/452614621.db2.gz IBGGNDZHVZSUEJ-XJKSGUPXSA-N 1 2 342.399 1.679 20 30 EDEDLO C=CCOCCCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000666395971 452840693 /nfs/dbraw/zinc/84/06/93/452840693.db2.gz IMZFDJDZWDOPIW-UHFFFAOYSA-N 1 2 334.420 1.941 20 30 EDEDLO COCCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1C ZINC000646031149 453028630 /nfs/dbraw/zinc/02/86/30/453028630.db2.gz AOQMAGGSWHZUCF-SFHVURJKSA-N 1 2 333.432 1.675 20 30 EDEDLO COCCCn1c(C)cc(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1C ZINC000646031149 453028632 /nfs/dbraw/zinc/02/86/32/453028632.db2.gz AOQMAGGSWHZUCF-SFHVURJKSA-N 1 2 333.432 1.675 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000658522214 453075253 /nfs/dbraw/zinc/07/52/53/453075253.db2.gz MWQSRRZXCHFRLO-AWEZNQCLSA-N 1 2 330.432 1.930 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000680451281 486779672 /nfs/dbraw/zinc/77/96/72/486779672.db2.gz AHPWRCBJUXIUHU-AWEZNQCLSA-N 1 2 346.431 1.133 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672760993 486793198 /nfs/dbraw/zinc/79/31/98/486793198.db2.gz DJQPCKCGBVPQAU-UHFFFAOYSA-N 1 2 344.415 1.010 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413965097 486863453 /nfs/dbraw/zinc/86/34/53/486863453.db2.gz GHIBTMFSFDCCII-CQSZACIVSA-N 1 2 331.416 1.553 20 30 EDEDLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](CC#CCOC)CC2)cc1 ZINC000677818007 487174880 /nfs/dbraw/zinc/17/48/80/487174880.db2.gz SBHHJSYDFHAGHR-QGZVFWFLSA-N 1 2 344.455 1.810 20 30 EDEDLO CN1CN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1=O ZINC000329742165 485553197 /nfs/dbraw/zinc/55/31/97/485553197.db2.gz PFQVTTNWMGINMR-UHFFFAOYSA-N 1 2 331.420 1.608 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(NC(N)=O)CC2)c(C#N)c1C ZINC000174914356 534548828 /nfs/dbraw/zinc/54/88/28/534548828.db2.gz LFWQRIIBTHZKAH-JTQLQIEISA-N 1 2 333.392 1.228 20 30 EDEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@H](CNC(C)=O)C2)ccc1OC ZINC000179718533 526660320 /nfs/dbraw/zinc/66/03/20/526660320.db2.gz NXZFJMFWZGFVRJ-QGZVFWFLSA-N 1 2 348.443 1.987 20 30 EDEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@H](CNC(C)=O)C2)ccc1OC ZINC000179718533 526660324 /nfs/dbraw/zinc/66/03/24/526660324.db2.gz NXZFJMFWZGFVRJ-QGZVFWFLSA-N 1 2 348.443 1.987 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000188696082 526748829 /nfs/dbraw/zinc/74/88/29/526748829.db2.gz IGDIFYKHVAOKAI-MRXNPFEDSA-N 1 2 349.456 1.434 20 30 EDEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)NC(C)C)CC2)c1 ZINC000171926398 526899791 /nfs/dbraw/zinc/89/97/91/526899791.db2.gz NIUINIOOEITHRJ-UHFFFAOYSA-N 1 2 331.460 1.894 20 30 EDEDLO C=CCOc1cccc(CN2CC[NH+](CC(=O)NC(C)C)CC2)c1 ZINC000171926398 526899797 /nfs/dbraw/zinc/89/97/97/526899797.db2.gz NIUINIOOEITHRJ-UHFFFAOYSA-N 1 2 331.460 1.894 20 30 EDEDLO C=CC1CC[NH+](CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000111260258 526979283 /nfs/dbraw/zinc/97/92/83/526979283.db2.gz GPEZBXQKFBEHLE-MRXNPFEDSA-N 1 2 342.505 1.700 20 30 EDEDLO C=CCCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000102242312 527077801 /nfs/dbraw/zinc/07/78/01/527077801.db2.gz PEPRMWCVWDKVBO-UHFFFAOYSA-N 1 2 331.416 1.653 20 30 EDEDLO C=CCc1cc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc(OC)c1OC ZINC000178620177 527233872 /nfs/dbraw/zinc/23/38/72/527233872.db2.gz AWDLVGUHWXLVOD-MRXNPFEDSA-N 1 2 345.443 1.162 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000101555098 528359297 /nfs/dbraw/zinc/35/92/97/528359297.db2.gz ADQHJDIPPMDQLK-UHFFFAOYSA-N 1 2 338.452 1.549 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000101555098 528359304 /nfs/dbraw/zinc/35/93/04/528359304.db2.gz ADQHJDIPPMDQLK-UHFFFAOYSA-N 1 2 338.452 1.549 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177400549 528364275 /nfs/dbraw/zinc/36/42/75/528364275.db2.gz GGVBQPKQGPEVKI-INIZCTEOSA-N 1 2 336.823 1.392 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000171760421 529132880 /nfs/dbraw/zinc/13/28/80/529132880.db2.gz AYUMXRQOWOXPCK-UHFFFAOYSA-N 1 2 337.445 1.088 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000171760421 529132882 /nfs/dbraw/zinc/13/28/82/529132882.db2.gz AYUMXRQOWOXPCK-UHFFFAOYSA-N 1 2 337.445 1.088 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cnc4ccc(C#N)cn34)[C@H]2C1 ZINC000247052065 536700392 /nfs/dbraw/zinc/70/03/92/536700392.db2.gz VBBHQNXSRWYEDZ-IKGGRYGDSA-N 1 2 326.400 1.974 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cnc4ccc(C#N)cn34)[C@H]2C1 ZINC000247052065 536700398 /nfs/dbraw/zinc/70/03/98/536700398.db2.gz VBBHQNXSRWYEDZ-IKGGRYGDSA-N 1 2 326.400 1.974 20 30 EDEDLO CCc1noc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000742357626 579449761 /nfs/dbraw/zinc/44/97/61/579449761.db2.gz YXFCMRHDBDODCX-UHFFFAOYSA-N 1 2 345.403 1.301 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000728857722 578553090 /nfs/dbraw/zinc/55/30/90/578553090.db2.gz WGJUUHHEHAJETD-UHFFFAOYSA-N 1 2 330.391 1.893 20 30 EDEDLO C=CC[N@@H+](CCc1ccccc1)Cn1cc(S(=O)(=O)N(C)C)cn1 ZINC000738029299 578625742 /nfs/dbraw/zinc/62/57/42/578625742.db2.gz FSGKQCFODQSQQT-UHFFFAOYSA-N 1 2 348.472 1.822 20 30 EDEDLO C=CC[N@H+](CCc1ccccc1)Cn1cc(S(=O)(=O)N(C)C)cn1 ZINC000738029299 578625743 /nfs/dbraw/zinc/62/57/43/578625743.db2.gz FSGKQCFODQSQQT-UHFFFAOYSA-N 1 2 348.472 1.822 20 30 EDEDLO C[N@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CCOC1 ZINC000730259616 578637516 /nfs/dbraw/zinc/63/75/16/578637516.db2.gz SYCBANRXAROTDM-PBHICJAKSA-N 1 2 328.372 1.003 20 30 EDEDLO C[N@@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CCOC1 ZINC000730259616 578637517 /nfs/dbraw/zinc/63/75/17/578637517.db2.gz SYCBANRXAROTDM-PBHICJAKSA-N 1 2 328.372 1.003 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1 ZINC000732065430 578688968 /nfs/dbraw/zinc/68/89/68/578688968.db2.gz GAWZAYGIRKTDGS-INIZCTEOSA-N 1 2 337.383 1.007 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1 ZINC000732065430 578688969 /nfs/dbraw/zinc/68/89/69/578688969.db2.gz GAWZAYGIRKTDGS-INIZCTEOSA-N 1 2 337.383 1.007 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2cccnc2N=NCc2ccco2)CC1 ZINC000734750107 578835406 /nfs/dbraw/zinc/83/54/06/578835406.db2.gz KDHCWUDBRJCQBE-UHFFFAOYSA-N 1 2 349.416 1.057 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000738552720 579190804 /nfs/dbraw/zinc/19/08/04/579190804.db2.gz MTUHERCWKZKCCC-QAPCUYQASA-N 1 2 327.428 1.948 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000738552720 579190806 /nfs/dbraw/zinc/19/08/06/579190806.db2.gz MTUHERCWKZKCCC-QAPCUYQASA-N 1 2 327.428 1.948 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000777389826 580440605 /nfs/dbraw/zinc/44/06/05/580440605.db2.gz VQNGOHGZSRNYSY-UHFFFAOYSA-N 1 2 337.427 1.373 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCCc3cc(F)cc(F)c32)CC1 ZINC000746503058 579598733 /nfs/dbraw/zinc/59/87/33/579598733.db2.gz NVEOQLGCUSXHQP-UHFFFAOYSA-N 1 2 333.382 1.495 20 30 EDEDLO N#CCOc1ccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000777503630 580442823 /nfs/dbraw/zinc/44/28/23/580442823.db2.gz AZNZLPBKBTWKMH-CQSZACIVSA-N 1 2 325.372 1.600 20 30 EDEDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)CC(C)(C)C#N)C[C@@H](C)O1 ZINC000777817655 580451157 /nfs/dbraw/zinc/45/11/57/580451157.db2.gz QQHAGCGGAXOHID-CHWSQXEVSA-N 1 2 331.482 1.343 20 30 EDEDLO N#Cc1c(F)cccc1S(=O)(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000751491886 579810103 /nfs/dbraw/zinc/81/01/03/579810103.db2.gz NEOSRUCDBWNXPD-UHFFFAOYSA-N 1 2 334.376 1.989 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1CC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000752019856 579833913 /nfs/dbraw/zinc/83/39/13/579833913.db2.gz YXZQIQITUDLZBD-MRXNPFEDSA-N 1 2 337.441 1.577 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1CC(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000752019856 579833916 /nfs/dbraw/zinc/83/39/16/579833916.db2.gz YXZQIQITUDLZBD-MRXNPFEDSA-N 1 2 337.441 1.577 20 30 EDEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@@H](CC(=O)OC)C2)c1O ZINC000754740490 579910490 /nfs/dbraw/zinc/91/04/90/579910490.db2.gz UBMHQKAUIPVOKX-INIZCTEOSA-N 1 2 335.400 1.893 20 30 EDEDLO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H](CC(=O)OC)C2)c1O ZINC000754740490 579910491 /nfs/dbraw/zinc/91/04/91/579910491.db2.gz UBMHQKAUIPVOKX-INIZCTEOSA-N 1 2 335.400 1.893 20 30 EDEDLO Fc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)cc1Cl ZINC000755500687 579928195 /nfs/dbraw/zinc/92/81/95/579928195.db2.gz ZQEGEQUPAIGHPX-UHFFFAOYSA-N 1 2 344.843 1.609 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000755619150 579931066 /nfs/dbraw/zinc/93/10/66/579931066.db2.gz IYOPDRQNDMPYQG-GJZGRUSLSA-N 1 2 347.365 1.284 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000755619150 579931067 /nfs/dbraw/zinc/93/10/67/579931067.db2.gz IYOPDRQNDMPYQG-GJZGRUSLSA-N 1 2 347.365 1.284 20 30 EDEDLO Cn1c[nH+]cc1C=Nn1cnc2ccc(Br)cc2c1=O ZINC000755627198 579931204 /nfs/dbraw/zinc/93/12/04/579931204.db2.gz KBJWUMOXAZAOHT-UHFFFAOYSA-N 1 2 332.161 1.775 20 30 EDEDLO COC(=O)c1ccc(N[NH+]=Cc2cnc(N3CCOCC3)s2)nc1 ZINC000758140401 579975903 /nfs/dbraw/zinc/97/59/03/579975903.db2.gz TWLVPWQAQKEDOR-UHFFFAOYSA-N 1 2 347.400 1.607 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(S(=O)(=O)CCCCC#N)CC2)S1 ZINC000758447845 579982818 /nfs/dbraw/zinc/98/28/18/579982818.db2.gz RYACXIBRUNXKDD-UHFFFAOYSA-N 1 2 344.506 1.509 20 30 EDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765339897 580140237 /nfs/dbraw/zinc/14/02/37/580140237.db2.gz RZAAHLMXXVTGOQ-AWEZNQCLSA-N 1 2 344.415 1.964 20 30 EDEDLO Cc1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c(N(C)C)[nH+]1 ZINC000771434819 580286798 /nfs/dbraw/zinc/28/67/98/580286798.db2.gz AKHZILLJQZGDJT-UHFFFAOYSA-N 1 2 337.383 1.696 20 30 EDEDLO COc1cccc(NC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000773973498 580350730 /nfs/dbraw/zinc/35/07/30/580350730.db2.gz FJZZWFSDXJPDKS-DZGCQCFKSA-N 1 2 347.440 1.780 20 30 EDEDLO COc1cccc(NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000773973498 580350731 /nfs/dbraw/zinc/35/07/31/580350731.db2.gz FJZZWFSDXJPDKS-DZGCQCFKSA-N 1 2 347.440 1.780 20 30 EDEDLO C[C@@H]1CCOCC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000774645579 580368705 /nfs/dbraw/zinc/36/87/05/580368705.db2.gz AOPMLZQAUUVAAS-ACJLOTCBSA-N 1 2 342.399 1.394 20 30 EDEDLO C[C@@H]1CCOCC[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000774645579 580368706 /nfs/dbraw/zinc/36/87/06/580368706.db2.gz AOPMLZQAUUVAAS-ACJLOTCBSA-N 1 2 342.399 1.394 20 30 EDEDLO C#C[C@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@@H]1CCCO1 ZINC000775683867 580397191 /nfs/dbraw/zinc/39/71/91/580397191.db2.gz SUUFRFOCNYVZOY-HOCLYGCPSA-N 1 2 344.415 1.529 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nc2cc(S(=O)(=O)CC)ccc2o1)[C@@H]1CCCO1 ZINC000775784612 580400191 /nfs/dbraw/zinc/40/01/91/580400191.db2.gz KNNNNGLAOJVZQG-ZFWWWQNUSA-N 1 2 348.424 1.892 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1nc2cc(S(=O)(=O)CC)ccc2o1)[C@@H]1CCCO1 ZINC000775784609 580400198 /nfs/dbraw/zinc/40/01/98/580400198.db2.gz KNNNNGLAOJVZQG-HIFRSBDPSA-N 1 2 348.424 1.892 20 30 EDEDLO C#C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000775792339 580400807 /nfs/dbraw/zinc/40/08/07/580400807.db2.gz QQHKCYKEODFXHA-MELADBBJSA-N 1 2 337.217 1.746 20 30 EDEDLO COc1ccc(-c2nnn(C[NH+]3CCC(CC#N)CC3)n2)cc1OC ZINC000781571324 580552640 /nfs/dbraw/zinc/55/26/40/580552640.db2.gz CWRWKRCTSWJYSC-UHFFFAOYSA-N 1 2 342.403 1.940 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccccc2-c2ccno2)CC1 ZINC000782422125 580574714 /nfs/dbraw/zinc/57/47/14/580574714.db2.gz CYBWLOFGDPAUCS-UHFFFAOYSA-N 1 2 345.424 1.671 20 30 EDEDLO COc1ccc(O)c(/C=N\[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000782879828 580587434 /nfs/dbraw/zinc/58/74/34/580587434.db2.gz IKQMLWQXJLNFEV-PFHZTYADSA-N 1 2 342.399 1.744 20 30 EDEDLO C[C@@H]1C[NH+]=C(NN=Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)N1 ZINC000783862139 580607718 /nfs/dbraw/zinc/60/77/18/580607718.db2.gz LXNKGDUPPVVGKA-MRVPVSSYSA-N 1 2 338.202 1.845 20 30 EDEDLO CO[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC[C@H]1C ZINC000784364917 580619518 /nfs/dbraw/zinc/61/95/18/580619518.db2.gz JMTUXEGXNBYAJK-CZUORRHYSA-N 1 2 326.400 1.777 20 30 EDEDLO CO[C@@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC[C@H]1C ZINC000784364917 580619519 /nfs/dbraw/zinc/61/95/19/580619519.db2.gz JMTUXEGXNBYAJK-CZUORRHYSA-N 1 2 326.400 1.777 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CC(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000787651444 580700651 /nfs/dbraw/zinc/70/06/51/580700651.db2.gz DZHPEGSBLGTRQX-GFCCVEGCSA-N 1 2 340.383 1.839 20 30 EDEDLO C#CCn1cc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)cn1 ZINC000788217946 580714385 /nfs/dbraw/zinc/71/43/85/580714385.db2.gz ULKUTRWWSBEKSP-UHFFFAOYSA-N 1 2 338.411 1.279 20 30 EDEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2nc3c(cnn3C)c(=O)[nH]2)cn1 ZINC000790164249 580763732 /nfs/dbraw/zinc/76/37/32/580763732.db2.gz NNJIVOQYWOLCAC-UHFFFAOYSA-N 1 2 340.391 1.755 20 30 EDEDLO Cn1c[nH+]c(CN=Nc2ncnc3c2c(Br)nn3C)c1 ZINC000794506549 580895241 /nfs/dbraw/zinc/89/52/41/580895241.db2.gz RLAJZHQPMBRXSK-UHFFFAOYSA-N 1 2 335.169 1.305 20 30 EDEDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCCSCC#N)CC1 ZINC000796569787 580956739 /nfs/dbraw/zinc/95/67/39/580956739.db2.gz XOBLGYSJZPCGNO-UHFFFAOYSA-N 1 2 348.490 1.076 20 30 EDEDLO C#CC[N@@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)Cc1ccccc1 ZINC000796632027 580958494 /nfs/dbraw/zinc/95/84/94/580958494.db2.gz KWDYAKZPFPMJAW-QGZVFWFLSA-N 1 2 330.428 1.826 20 30 EDEDLO C#CC[N@H+](CC(=O)N[C@H](CC(C)C)C(=O)OC)Cc1ccccc1 ZINC000796632027 580958495 /nfs/dbraw/zinc/95/84/95/580958495.db2.gz KWDYAKZPFPMJAW-QGZVFWFLSA-N 1 2 330.428 1.826 20 30 EDEDLO Cc1ccn(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c(=O)c1C#N ZINC000797418843 580975347 /nfs/dbraw/zinc/97/53/47/580975347.db2.gz XCURPZNHQLEQGH-RVKKMQEKSA-N 1 2 331.416 1.644 20 30 EDEDLO Cc1ccn(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c(=O)c1C#N ZINC000797418843 580975348 /nfs/dbraw/zinc/97/53/48/580975348.db2.gz XCURPZNHQLEQGH-RVKKMQEKSA-N 1 2 331.416 1.644 20 30 EDEDLO CCC(CC)[C@H](CNS(=O)(=O)CC(C)(C)C#N)[NH+]1CCOCC1 ZINC000798225915 580991441 /nfs/dbraw/zinc/99/14/41/580991441.db2.gz ROEPZLOCDMWWKI-HNNXBMFYSA-N 1 2 345.509 1.593 20 30 EDEDLO COC[C@]1(C)CC(=O)N(C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1 ZINC000799943535 581039427 /nfs/dbraw/zinc/03/94/27/581039427.db2.gz JREPAGUYMWWCOL-GOSISDBHSA-N 1 2 342.443 1.781 20 30 EDEDLO C[C@@H]1C[N@H+](CCOC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000800223089 581048105 /nfs/dbraw/zinc/04/81/05/581048105.db2.gz QDSKVQBFNZQVJN-PBHICJAKSA-N 1 2 327.384 1.504 20 30 EDEDLO C[C@@H]1C[N@@H+](CCOC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000800223089 581048106 /nfs/dbraw/zinc/04/81/06/581048106.db2.gz QDSKVQBFNZQVJN-PBHICJAKSA-N 1 2 327.384 1.504 20 30 EDEDLO CC#CC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000801186513 581067482 /nfs/dbraw/zinc/06/74/82/581067482.db2.gz LPXOKDMHUIOBMK-GOSISDBHSA-N 1 2 339.439 1.345 20 30 EDEDLO Cc1cc(C)cc(OCC(=O)N2CC[NH+](CCO[C@H](C)C#N)CC2)c1 ZINC000801933817 581088531 /nfs/dbraw/zinc/08/85/31/581088531.db2.gz GGYOIBZLHSPAAY-QGZVFWFLSA-N 1 2 345.443 1.755 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2csc(C#N)c2)CC1 ZINC000891903489 590681944 /nfs/dbraw/zinc/68/19/44/590681944.db2.gz LNWHLYSZCCBNOM-UHFFFAOYSA-N 1 2 349.456 1.853 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2csc(C#N)c2)CC1 ZINC000891903489 590681948 /nfs/dbraw/zinc/68/19/48/590681948.db2.gz LNWHLYSZCCBNOM-UHFFFAOYSA-N 1 2 349.456 1.853 20 30 EDEDLO C[C@@]1(C#N)CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000892282526 590912104 /nfs/dbraw/zinc/91/21/04/590912104.db2.gz UKNXXFVXLGSWEL-QGZVFWFLSA-N 1 2 325.372 1.696 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)COc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893565687 590964823 /nfs/dbraw/zinc/96/48/23/590964823.db2.gz HRBJCGVVUQZVPB-WMLDXEAASA-N 1 2 332.356 1.116 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)COc2ccc(C#N)cc2)C[N@H+]1C ZINC000893565687 590964826 /nfs/dbraw/zinc/96/48/26/590964826.db2.gz HRBJCGVVUQZVPB-WMLDXEAASA-N 1 2 332.356 1.116 20 30 EDEDLO C#CCCOc1ccc(C(=O)O[C@@H]2C[N@H+](C)[C@@](C)(C(=O)OC)C2)cc1 ZINC000893577577 590980772 /nfs/dbraw/zinc/98/07/72/590980772.db2.gz NTOHGSPMMAATTR-QFBILLFUSA-N 1 2 345.395 1.881 20 30 EDEDLO C#CCCOc1ccc(C(=O)O[C@@H]2C[N@@H+](C)[C@@](C)(C(=O)OC)C2)cc1 ZINC000893577577 590980776 /nfs/dbraw/zinc/98/07/76/590980776.db2.gz NTOHGSPMMAATTR-QFBILLFUSA-N 1 2 345.395 1.881 20 30 EDEDLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000891550294 591119714 /nfs/dbraw/zinc/11/97/14/591119714.db2.gz AVUOZVMJGAQCMI-UHFFFAOYSA-N 1 2 339.428 1.619 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000891607360 591147985 /nfs/dbraw/zinc/14/79/85/591147985.db2.gz SGYQPYKFNRVKKD-SNVBAGLBSA-N 1 2 339.317 1.256 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000891607360 591147990 /nfs/dbraw/zinc/14/79/90/591147990.db2.gz SGYQPYKFNRVKKD-SNVBAGLBSA-N 1 2 339.317 1.256 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](CC2CC2)NC(=O)OC(C)(C)C)CC1 ZINC000895898097 591299076 /nfs/dbraw/zinc/29/90/76/591299076.db2.gz KISSWOPZYPPOAV-OAHLLOKOSA-N 1 2 335.448 1.457 20 30 EDEDLO Cc1[nH+]c2ccccn2c1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000898959252 591616577 /nfs/dbraw/zinc/61/65/77/591616577.db2.gz LXWQGMRQRJXVPH-OAHLLOKOSA-N 1 2 338.415 1.525 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899060245 591664373 /nfs/dbraw/zinc/66/43/73/591664373.db2.gz GRJHYTQAOBCWTG-OAHLLOKOSA-N 1 2 341.452 1.523 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899060245 591664376 /nfs/dbraw/zinc/66/43/76/591664376.db2.gz GRJHYTQAOBCWTG-OAHLLOKOSA-N 1 2 341.452 1.523 20 30 EDEDLO Cc1cc(CN2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2c([nH+]1)CCCC2 ZINC000897057747 591726501 /nfs/dbraw/zinc/72/65/01/591726501.db2.gz IGRVMIQZBGGVFY-QAPCUYQASA-N 1 2 345.468 1.639 20 30 EDEDLO C[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902600554 592022572 /nfs/dbraw/zinc/02/25/72/592022572.db2.gz WAUVKOITABQFLI-MRXNPFEDSA-N 1 2 333.388 1.002 20 30 EDEDLO O=C1[C@H](C2CC2)[C@@H](C2CC2)N1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902609184 592024688 /nfs/dbraw/zinc/02/46/88/592024688.db2.gz NWVOINPJYKYRKB-IAGOWNOFSA-N 1 2 330.428 1.929 20 30 EDEDLO Cc1nc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)sc1SCC#N ZINC000900480755 592030032 /nfs/dbraw/zinc/03/00/32/592030032.db2.gz OXBOOJNFXZSRIT-ZANVPECISA-N 1 2 326.447 1.461 20 30 EDEDLO Cc1nc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)sc1SCC#N ZINC000900480755 592030034 /nfs/dbraw/zinc/03/00/34/592030034.db2.gz OXBOOJNFXZSRIT-ZANVPECISA-N 1 2 326.447 1.461 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ncc(Br)s2)C1 ZINC000902730463 592053575 /nfs/dbraw/zinc/05/35/75/592053575.db2.gz RXUGKPORXVVGAW-VIFPVBQESA-N 1 2 328.235 1.733 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ncc(Br)s2)C1 ZINC000902730463 592053578 /nfs/dbraw/zinc/05/35/78/592053578.db2.gz RXUGKPORXVVGAW-VIFPVBQESA-N 1 2 328.235 1.733 20 30 EDEDLO Cc1ccc(C(=O)/C=C\C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000900877664 592154274 /nfs/dbraw/zinc/15/42/74/592154274.db2.gz DFNVJBZOEIIYKE-UGKULVSSSA-N 1 2 342.439 1.913 20 30 EDEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000908148643 592336444 /nfs/dbraw/zinc/33/64/44/592336444.db2.gz NYPJJFAPRZJLNO-MHWRWJLKSA-N 1 2 348.443 1.955 20 30 EDEDLO Cc1nsc(N2CCN(C(=O)CNc3cccc[nH+]3)CC2)c1C#N ZINC000908285782 592424514 /nfs/dbraw/zinc/42/45/14/592424514.db2.gz VNFQIRGZLDWVJR-UHFFFAOYSA-N 1 2 342.428 1.479 20 30 EDEDLO Cn1cc[nH+]c1CNc1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)cc1 ZINC000908407237 592483451 /nfs/dbraw/zinc/48/34/51/592483451.db2.gz URHGBCYOVXGNCX-CQSZACIVSA-N 1 2 343.387 1.142 20 30 EDEDLO C=CC[C@@H]([NH2+]CCOc1ccc(NS(C)(=O)=O)cc1)C(=O)OC ZINC000905761525 592638722 /nfs/dbraw/zinc/63/87/22/592638722.db2.gz HEXMVJINNIRBMA-CQSZACIVSA-N 1 2 342.417 1.144 20 30 EDEDLO C=CC[C@H]([NH2+]C[C@@H]1CCn2ncc(C(=O)NC(C)C)c2C1)C(=O)OC ZINC000905764540 592639356 /nfs/dbraw/zinc/63/93/56/592639356.db2.gz SDNWVUJWXLIMDD-HIFRSBDPSA-N 1 2 348.447 1.291 20 30 EDEDLO N#Cc1ccnc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000909026571 592718227 /nfs/dbraw/zinc/71/82/27/592718227.db2.gz FUUUXZSAYDHUMI-GOSISDBHSA-N 1 2 337.379 1.897 20 30 EDEDLO N#Cc1ccnc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000909026571 592718230 /nfs/dbraw/zinc/71/82/30/592718230.db2.gz FUUUXZSAYDHUMI-GOSISDBHSA-N 1 2 337.379 1.897 20 30 EDEDLO CC[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000907812021 592801861 /nfs/dbraw/zinc/80/18/61/592801861.db2.gz GRCFKAMYIKMMTJ-HZPDHXFCSA-N 1 2 349.431 1.311 20 30 EDEDLO CC[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000907812021 592801865 /nfs/dbraw/zinc/80/18/65/592801865.db2.gz GRCFKAMYIKMMTJ-HZPDHXFCSA-N 1 2 349.431 1.311 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2c2c[nH+]cn2C)C1 ZINC000910842604 592895884 /nfs/dbraw/zinc/89/58/84/592895884.db2.gz NUAJIQLGUQKKSH-HOTGVXAUSA-N 1 2 342.443 1.736 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000912399645 593093051 /nfs/dbraw/zinc/09/30/51/593093051.db2.gz CQBQDGMKMKVEAN-NTCAYCPXSA-N 1 2 336.432 1.068 20 30 EDEDLO C=CCN1CCN(C[N@H+](C)CCn2cc(Br)cn2)C1=O ZINC000840073871 593116890 /nfs/dbraw/zinc/11/68/90/593116890.db2.gz MNQRMNPLJFMURE-UHFFFAOYSA-N 1 2 342.241 1.459 20 30 EDEDLO C=CCN1CCN(C[N@@H+](C)CCn2cc(Br)cn2)C1=O ZINC000840073871 593116892 /nfs/dbraw/zinc/11/68/92/593116892.db2.gz MNQRMNPLJFMURE-UHFFFAOYSA-N 1 2 342.241 1.459 20 30 EDEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000807284625 593161147 /nfs/dbraw/zinc/16/11/47/593161147.db2.gz OUNGZMJGSNJAHR-ZDUSSCGKSA-N 1 2 332.747 1.380 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000807335749 593164477 /nfs/dbraw/zinc/16/44/77/593164477.db2.gz NADJBJQINMALHT-HNNXBMFYSA-N 1 2 337.379 1.780 20 30 EDEDLO NC(CCO)=[NH+]OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000121352268 593246781 /nfs/dbraw/zinc/24/67/81/593246781.db2.gz BKICAUSDKSOJPX-UHFFFAOYSA-N 1 2 330.175 1.745 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCN(C=O)CC1 ZINC000839019672 593252711 /nfs/dbraw/zinc/25/27/11/593252711.db2.gz WKHAGOROEZEAJU-PQUAAJSLSA-N 1 2 334.464 1.470 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCCN(C=O)CC1 ZINC000839019672 593252714 /nfs/dbraw/zinc/25/27/14/593252714.db2.gz WKHAGOROEZEAJU-PQUAAJSLSA-N 1 2 334.464 1.470 20 30 EDEDLO C=CCN1CCN(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)C1=O ZINC000839967669 593254203 /nfs/dbraw/zinc/25/42/03/593254203.db2.gz BAMXIJUSSAMCPD-UHFFFAOYSA-N 1 2 328.416 1.884 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)C1=O ZINC000839967669 593254204 /nfs/dbraw/zinc/25/42/04/593254204.db2.gz BAMXIJUSSAMCPD-UHFFFAOYSA-N 1 2 328.416 1.884 20 30 EDEDLO COc1ncnc(N)c1C=[NH+]N[C@H](C)CCc1ccc2c(c1)OCO2 ZINC000802714892 593271483 /nfs/dbraw/zinc/27/14/83/593271483.db2.gz VBJKZQNPBNREFO-LLVKDONJSA-N 1 2 343.387 1.741 20 30 EDEDLO C=CCN(C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)C(C)C ZINC000839245644 593279068 /nfs/dbraw/zinc/27/90/68/593279068.db2.gz CLLIBRWODKHTBQ-MRXNPFEDSA-N 1 2 344.459 1.710 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@@H]1CCCO1 ZINC000839564740 593339289 /nfs/dbraw/zinc/33/92/89/593339289.db2.gz SQLQLNXKRBYVNR-HOTGVXAUSA-N 1 2 349.394 1.792 20 30 EDEDLO COCC(COC)N1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000839621799 593352749 /nfs/dbraw/zinc/35/27/49/593352749.db2.gz MTXSOTBXAULTOR-UHFFFAOYSA-N 1 2 333.432 1.368 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000810031634 593376091 /nfs/dbraw/zinc/37/60/91/593376091.db2.gz RYOMJVOPUALFBH-SJLPKXTDSA-N 1 2 329.400 1.961 20 30 EDEDLO CN(CCC#N)c1ccc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1 ZINC000769481309 593444255 /nfs/dbraw/zinc/44/42/55/593444255.db2.gz TUACWBHHTXKVLZ-XMMPIXPASA-N 1 2 348.516 1.533 20 30 EDEDLO CN(CCC#N)c1ccc(C[NH+]2CCN(CC[S@@](C)=O)CC2)cc1 ZINC000769481309 593444258 /nfs/dbraw/zinc/44/42/58/593444258.db2.gz TUACWBHHTXKVLZ-XMMPIXPASA-N 1 2 348.516 1.533 20 30 EDEDLO N#CCOc1cccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000820000305 593782393 /nfs/dbraw/zinc/78/23/93/593782393.db2.gz CAUMUNMNXVCGSU-OAHLLOKOSA-N 1 2 330.388 1.527 20 30 EDEDLO C#C[C@@H](C)NC(=O)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000820436290 593818968 /nfs/dbraw/zinc/81/89/68/593818968.db2.gz VCDHGRJAIJDPEF-CZUORRHYSA-N 1 2 335.835 1.722 20 30 EDEDLO Cc1cn2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2[nH+]1 ZINC000822551696 594066104 /nfs/dbraw/zinc/06/61/04/594066104.db2.gz YZYBWMLBLPFQNN-UHFFFAOYSA-N 1 2 346.394 1.872 20 30 EDEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000823056733 594145940 /nfs/dbraw/zinc/14/59/40/594145940.db2.gz GINYOSXZIUZOBA-UHFFFAOYSA-N 1 2 325.372 1.005 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000823649515 594224532 /nfs/dbraw/zinc/22/45/32/594224532.db2.gz FAHPOLDESJOXOS-OAHLLOKOSA-N 1 2 342.399 1.262 20 30 EDEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826387170 594454965 /nfs/dbraw/zinc/45/49/65/594454965.db2.gz JFHDFANXTCOHGH-UHFFFAOYSA-N 1 2 335.371 1.654 20 30 EDEDLO NC(=[NH+]OCCOc1ccccc1-c1nn[nH]n1)c1ccc(F)cc1 ZINC000826387985 594455476 /nfs/dbraw/zinc/45/54/76/594455476.db2.gz CSOORUMSGCCJOR-UHFFFAOYSA-N 1 2 342.334 1.722 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829462720 594619202 /nfs/dbraw/zinc/61/92/02/594619202.db2.gz KOZIZPXMTNINTF-UHFFFAOYSA-N 1 2 341.371 1.226 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829462720 594619204 /nfs/dbraw/zinc/61/92/04/594619204.db2.gz KOZIZPXMTNINTF-UHFFFAOYSA-N 1 2 341.371 1.226 20 30 EDEDLO C#Cc1cnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)nc1 ZINC000827322802 594661149 /nfs/dbraw/zinc/66/11/49/594661149.db2.gz ACANUWODZCIEMY-UHFFFAOYSA-N 1 2 336.395 1.551 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000831691234 594693021 /nfs/dbraw/zinc/69/30/21/594693021.db2.gz JMGGFFJINYMWBA-CYBMUJFWSA-N 1 2 347.390 1.782 20 30 EDEDLO C=CC[C@H](Cc1ccccc1)NC(=S)NCC[NH+]1CCOCC1 ZINC000840864370 594822265 /nfs/dbraw/zinc/82/22/65/594822265.db2.gz ARKKPKIPVDEKIG-QGZVFWFLSA-N 1 2 333.501 1.970 20 30 EDEDLO COCCOCCN1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000846116149 595146647 /nfs/dbraw/zinc/14/66/47/595146647.db2.gz FTPQCFFSICXOEA-KRWDZBQOSA-N 1 2 347.459 1.758 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000834542832 595159152 /nfs/dbraw/zinc/15/91/52/595159152.db2.gz LYOVDDDREYFCIN-HNNXBMFYSA-N 1 2 338.411 1.255 20 30 EDEDLO N#Cc1ccc(OCCCO[NH+]=C(N)COC[C@H]2CCOC2)cc1 ZINC000842657957 595161886 /nfs/dbraw/zinc/16/18/86/595161886.db2.gz MQJWFRXRPKRFHJ-HNNXBMFYSA-N 1 2 333.388 1.879 20 30 EDEDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cccc(CC#N)c1 ZINC000842962211 595243484 /nfs/dbraw/zinc/24/34/84/595243484.db2.gz GOANYZJQNBEPHR-RHSMWYFYSA-N 1 2 332.400 1.645 20 30 EDEDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cccc(CC#N)c1 ZINC000842962211 595243487 /nfs/dbraw/zinc/24/34/87/595243487.db2.gz GOANYZJQNBEPHR-RHSMWYFYSA-N 1 2 332.400 1.645 20 30 EDEDLO C#CCO[C@@H](C)C(=O)OCC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000835186890 595276141 /nfs/dbraw/zinc/27/61/41/595276141.db2.gz KXLGXNSYIUCUIH-HNNXBMFYSA-N 1 2 336.457 1.447 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844267271 595314515 /nfs/dbraw/zinc/31/45/15/595314515.db2.gz AQOWNGGLVOICFN-HNNXBMFYSA-N 1 2 327.388 1.058 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844308125 595321125 /nfs/dbraw/zinc/32/11/25/595321125.db2.gz QUARIZSBYPNIKR-QZTJIDSGSA-N 1 2 340.427 1.852 20 30 EDEDLO C[NH+](C)[C@@H](C(=O)N[C@H]1CCCN(O)C1=O)c1cccc(Cl)c1 ZINC000848138169 595326806 /nfs/dbraw/zinc/32/68/06/595326806.db2.gz JYWLMCWXDDRARD-QWHCGFSZSA-N 1 2 325.796 1.439 20 30 EDEDLO COc1ccccc1-c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)no1 ZINC000844529143 595355788 /nfs/dbraw/zinc/35/57/88/595355788.db2.gz OGAVPPNJNSOAHX-KRWDZBQOSA-N 1 2 328.372 1.924 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848494821 595396033 /nfs/dbraw/zinc/39/60/33/595396033.db2.gz SROBYOANQWFHEM-DYVFJYSZSA-N 1 2 329.356 1.835 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848494821 595396035 /nfs/dbraw/zinc/39/60/35/595396035.db2.gz SROBYOANQWFHEM-DYVFJYSZSA-N 1 2 329.356 1.835 20 30 EDEDLO CCc1nocc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000848508704 595399544 /nfs/dbraw/zinc/39/95/44/595399544.db2.gz QBRDVNLUSAJWPB-UHFFFAOYSA-N 1 2 344.415 1.906 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@@H](C)CC(F)(F)F)CC1 ZINC000849372258 595514860 /nfs/dbraw/zinc/51/48/60/595514860.db2.gz KAIRCPUKMGHQCX-LBPRGKRZSA-N 1 2 326.384 1.546 20 30 EDEDLO COc1ccc(CNC(=O)[C@@H](C#N)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000845452336 595500213 /nfs/dbraw/zinc/50/02/13/595500213.db2.gz TVPCRISYPPISEH-BBRMVZONSA-N 1 2 340.383 1.868 20 30 EDEDLO COC(=O)[C@H](NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1ccc(C#N)cc1 ZINC000849322192 595506063 /nfs/dbraw/zinc/50/60/63/595506063.db2.gz PKDLNLBMHFSVHD-GRDNDAEWSA-N 1 2 331.416 1.471 20 30 EDEDLO COC(=O)[C@H](NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1ccc(C#N)cc1 ZINC000849322192 595506065 /nfs/dbraw/zinc/50/60/65/595506065.db2.gz PKDLNLBMHFSVHD-GRDNDAEWSA-N 1 2 331.416 1.471 20 30 EDEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)C1CCOCC1 ZINC000850689438 595594581 /nfs/dbraw/zinc/59/45/81/595594581.db2.gz PSGKRGLUHMODCS-OAHLLOKOSA-N 1 2 340.383 1.126 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccccc1CC#N)C(C)(C)CO ZINC000855112325 595600150 /nfs/dbraw/zinc/60/01/50/595600150.db2.gz DXELKHQBCWVAHT-KRWDZBQOSA-N 1 2 340.427 1.905 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000858098667 595699944 /nfs/dbraw/zinc/69/99/44/595699944.db2.gz CLLUGSCIEALZMC-SFHVURJKSA-N 1 2 345.443 1.356 20 30 EDEDLO C#CC[C@H](COC)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000858123718 595704629 /nfs/dbraw/zinc/70/46/29/595704629.db2.gz ILIKVPJXDBJJEZ-MSOLQXFVSA-N 1 2 345.443 1.397 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000858128381 595707801 /nfs/dbraw/zinc/70/78/01/595707801.db2.gz LRRMSHPNWMYHEC-MRXNPFEDSA-N 1 2 346.431 1.146 20 30 EDEDLO C#Cc1cccnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000853269302 595723922 /nfs/dbraw/zinc/72/39/22/595723922.db2.gz OAENIPHWHSGRIB-OAHLLOKOSA-N 1 2 326.444 1.632 20 30 EDEDLO C#Cc1cccnc1N1CC[NH+](CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000853301593 595731946 /nfs/dbraw/zinc/73/19/46/595731946.db2.gz JBVMSKDXMCKAJT-AEFFLSMTSA-N 1 2 340.471 1.880 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000853619990 595834246 /nfs/dbraw/zinc/83/42/46/595834246.db2.gz PKZJJPRJAYNRKG-INIZCTEOSA-N 1 2 329.400 1.079 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000853619990 595834248 /nfs/dbraw/zinc/83/42/48/595834248.db2.gz PKZJJPRJAYNRKG-INIZCTEOSA-N 1 2 329.400 1.079 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1Cc2ccc(C(=O)OC)cc2C1=O ZINC000853621304 595834868 /nfs/dbraw/zinc/83/48/68/595834868.db2.gz XWUPYPBOXYHROU-UHFFFAOYSA-N 1 2 330.384 1.358 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1Cc2ccc(C(=O)OC)cc2C1=O ZINC000853621304 595834870 /nfs/dbraw/zinc/83/48/70/595834870.db2.gz XWUPYPBOXYHROU-UHFFFAOYSA-N 1 2 330.384 1.358 20 30 EDEDLO C#CCCN(CCOC)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000853813861 595888815 /nfs/dbraw/zinc/88/88/15/595888815.db2.gz CUTWONZQTAUXFF-UHFFFAOYSA-N 1 2 328.416 1.867 20 30 EDEDLO C#CCOCC[NH+]1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000851734226 595901369 /nfs/dbraw/zinc/90/13/69/595901369.db2.gz PHRAUAXHAJVKGL-UHFFFAOYSA-N 1 2 332.400 1.111 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3cn[nH]c3)n2Cc2ccccc2)CC1 ZINC000858924636 595923724 /nfs/dbraw/zinc/92/37/24/595923724.db2.gz NYKRFNUEWGGJAF-UHFFFAOYSA-N 1 2 347.426 1.472 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000859026689 595954187 /nfs/dbraw/zinc/95/41/87/595954187.db2.gz SRSBZGJYNQASLC-QGZVFWFLSA-N 1 2 330.432 1.337 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)n1 ZINC000861394507 595970403 /nfs/dbraw/zinc/97/04/03/595970403.db2.gz QKEDCXWLISTCEN-OAHLLOKOSA-N 1 2 325.416 1.632 20 30 EDEDLO C#CCCN(CCOC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000856385965 595971293 /nfs/dbraw/zinc/97/12/93/595971293.db2.gz DMUIOKULRUVOHM-UHFFFAOYSA-N 1 2 342.355 1.892 20 30 EDEDLO C#C[C@H](NC(=O)NCc1cn2ccc(C)cc2[nH+]1)C1CCOCC1 ZINC000852124363 596051904 /nfs/dbraw/zinc/05/19/04/596051904.db2.gz TUPPFIYRZPZAHL-INIZCTEOSA-N 1 2 326.400 1.870 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000859357884 596063427 /nfs/dbraw/zinc/06/34/27/596063427.db2.gz ZARPWEPSBMIFPC-OAHLLOKOSA-N 1 2 333.432 1.377 20 30 EDEDLO CCCc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)s1 ZINC000857205826 596185797 /nfs/dbraw/zinc/18/57/97/596185797.db2.gz NHDFOQFAWJNVEM-UHFFFAOYSA-N 1 2 340.518 1.831 20 30 EDEDLO N#Cc1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)co1 ZINC000864617733 596286028 /nfs/dbraw/zinc/28/60/28/596286028.db2.gz UEQBBEKQIQFWNU-QGZVFWFLSA-N 1 2 325.368 1.955 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864800612 596362357 /nfs/dbraw/zinc/36/23/57/596362357.db2.gz AYGPUDXOAGCTIL-NSCUHMNNSA-N 1 2 343.427 1.422 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000869193388 596442229 /nfs/dbraw/zinc/44/22/29/596442229.db2.gz PZGBTPPLGWZHQX-QZTJIDSGSA-N 1 2 340.427 1.142 20 30 EDEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000862968037 596468232 /nfs/dbraw/zinc/46/82/32/596468232.db2.gz DWHDGZGUIWSYRU-KRWDZBQOSA-N 1 2 327.428 1.817 20 30 EDEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000862968037 596468235 /nfs/dbraw/zinc/46/82/35/596468235.db2.gz DWHDGZGUIWSYRU-KRWDZBQOSA-N 1 2 327.428 1.817 20 30 EDEDLO O=C(C#Cc1cccs1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871218138 596500456 /nfs/dbraw/zinc/50/04/56/596500456.db2.gz GRKLCQPKEJKVJF-UHFFFAOYSA-N 1 2 326.425 1.277 20 30 EDEDLO C[C@H]1C[NH+]=C(NN=C2C(=O)Nc3ccc(F)c(Br)c32)N1 ZINC000863104822 596503017 /nfs/dbraw/zinc/50/30/17/596503017.db2.gz FOLIIVUWVTVHOR-YFKPBYRVSA-N 1 2 340.156 1.182 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000867751406 596530870 /nfs/dbraw/zinc/53/08/70/596530870.db2.gz LDDLZLTYISDBIM-DZGCQCFKSA-N 1 2 349.460 1.202 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc3sc(CC)cc3c2=O)CC1 ZINC000863358632 596561465 /nfs/dbraw/zinc/56/14/65/596561465.db2.gz QENIOENHFJENTR-UHFFFAOYSA-N 1 2 343.452 1.403 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000867899870 596608245 /nfs/dbraw/zinc/60/82/45/596608245.db2.gz QPEDXMOJHAGVGT-UHFFFAOYSA-N 1 2 342.424 1.902 20 30 EDEDLO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(C#N)c1O ZINC000866367049 596867719 /nfs/dbraw/zinc/86/77/19/596867719.db2.gz FQKXLXZRDSWJKD-GFCCVEGCSA-N 1 2 338.429 1.508 20 30 EDEDLO CC(Cc1cccc(C)c1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000872328930 596881355 /nfs/dbraw/zinc/88/13/55/596881355.db2.gz HDRWRBKWNFAGIV-UHFFFAOYSA-N 1 2 334.489 1.710 20 30 EDEDLO N#Cc1cc(F)cc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000866470281 596891200 /nfs/dbraw/zinc/89/12/00/596891200.db2.gz RJHAQLJWVLWWCZ-UHFFFAOYSA-N 1 2 348.403 1.751 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCC[C@H]2C#N)c(N(C)C)[nH+]1 ZINC000874051665 596908995 /nfs/dbraw/zinc/90/89/95/596908995.db2.gz YYQXFGMRSNQELA-JSGCOSHPSA-N 1 2 329.404 1.545 20 30 EDEDLO N#C[C@H]1CC[C@@H](NC(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)C1 ZINC000875682293 596946200 /nfs/dbraw/zinc/94/62/00/596946200.db2.gz BRIPJPAMZUCLMA-DRPJVOAASA-N 1 2 341.415 1.239 20 30 EDEDLO CC(C)n1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1Br ZINC000875704850 596953428 /nfs/dbraw/zinc/95/34/28/596953428.db2.gz ITUUIOQDOPKJQN-ZDUSSCGKSA-N 1 2 342.241 1.800 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000876444221 597207147 /nfs/dbraw/zinc/20/71/47/597207147.db2.gz MSQUCLJAYDVRFW-WKILWMFISA-N 1 2 329.448 1.439 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(F)cc(OCC)c2)CC1 ZINC000876554148 597237813 /nfs/dbraw/zinc/23/78/13/597237813.db2.gz DJSHQHYINNCFFX-UHFFFAOYSA-N 1 2 335.423 1.644 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(F)cc(OCC)c2)CC1 ZINC000876554148 597237817 /nfs/dbraw/zinc/23/78/17/597237817.db2.gz DJSHQHYINNCFFX-UHFFFAOYSA-N 1 2 335.423 1.644 20 30 EDEDLO C=C/C=C\CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000877946364 597565557 /nfs/dbraw/zinc/56/55/57/597565557.db2.gz WEUSCMSJYAYKGF-ARJAWSKDSA-N 1 2 331.441 1.997 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000878111934 597579434 /nfs/dbraw/zinc/57/94/34/597579434.db2.gz KSIDVDFEWIGTRP-SJORKVTESA-N 1 2 349.456 1.051 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000878111934 597579435 /nfs/dbraw/zinc/57/94/35/597579435.db2.gz KSIDVDFEWIGTRP-SJORKVTESA-N 1 2 349.456 1.051 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCO[C@@]2(CCOC2)C1)c1ccccc1 ZINC000878441912 597602221 /nfs/dbraw/zinc/60/22/21/597602221.db2.gz WDKYMIQQTCQYAO-RBUKOAKNSA-N 1 2 328.412 1.918 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCO[C@@]2(CCOC2)C1)c1ccccc1 ZINC000878441912 597602222 /nfs/dbraw/zinc/60/22/22/597602222.db2.gz WDKYMIQQTCQYAO-RBUKOAKNSA-N 1 2 328.412 1.918 20 30 EDEDLO C[C@@]1(C(F)(F)F)C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000879500937 597610268 /nfs/dbraw/zinc/61/02/68/597610268.db2.gz DLVMDDMWTUXPMV-OLZOCXBDSA-N 1 2 336.354 1.711 20 30 EDEDLO C[C@@]1(C(F)(F)F)C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000879500937 597610273 /nfs/dbraw/zinc/61/02/73/597610273.db2.gz DLVMDDMWTUXPMV-OLZOCXBDSA-N 1 2 336.354 1.711 20 30 EDEDLO N#Cc1cc(F)ccc1N1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000879590948 597648150 /nfs/dbraw/zinc/64/81/50/597648150.db2.gz OCNOYDVKYAXGEO-GOSISDBHSA-N 1 2 342.418 1.973 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762452 597714373 /nfs/dbraw/zinc/71/43/73/597714373.db2.gz GZPXXADFILWLIQ-CQSZACIVSA-N 1 2 333.354 1.330 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879762452 597714377 /nfs/dbraw/zinc/71/43/77/597714377.db2.gz GZPXXADFILWLIQ-CQSZACIVSA-N 1 2 333.354 1.330 20 30 EDEDLO CO[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000880304785 597896616 /nfs/dbraw/zinc/89/66/16/597896616.db2.gz RDCRKZFWTJKJGT-HNNXBMFYSA-N 1 2 341.333 1.828 20 30 EDEDLO CO[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000880304785 597896619 /nfs/dbraw/zinc/89/66/19/597896619.db2.gz RDCRKZFWTJKJGT-HNNXBMFYSA-N 1 2 341.333 1.828 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)c1cccc(OC(F)(F)F)c1 ZINC000884126348 598002010 /nfs/dbraw/zinc/00/20/10/598002010.db2.gz WXUTZTSVZGILJQ-LBPRGKRZSA-N 1 2 346.305 1.995 20 30 EDEDLO Cc1nc(N[C@@H]2CC[C@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@H]32)cc[nH+]1 ZINC001060527259 695769992 /nfs/dbraw/zinc/76/99/92/695769992.db2.gz VSFPDUGXZJVZKR-NWANDNLSSA-N 1 2 336.399 1.948 20 30 EDEDLO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)nn1C ZINC000993206940 695798494 /nfs/dbraw/zinc/79/84/94/695798494.db2.gz ULSZSUAWHSKWHJ-SUMWQHHRSA-N 1 2 340.431 1.711 20 30 EDEDLO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)nn1C ZINC000993206940 695798496 /nfs/dbraw/zinc/79/84/96/695798496.db2.gz ULSZSUAWHSKWHJ-SUMWQHHRSA-N 1 2 340.431 1.711 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(C)=O)C[C@H]2c2c[nH+]cn2C)CC1 ZINC000993573089 696227480 /nfs/dbraw/zinc/22/74/80/696227480.db2.gz GWHAPCHHZGAVAS-HZPDHXFCSA-N 1 2 330.432 1.597 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@@H]1C ZINC000993986126 696482402 /nfs/dbraw/zinc/48/24/02/696482402.db2.gz LBROLIWFGAYSJY-WCQYABFASA-N 1 2 349.822 1.770 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3n[nH]c(=O)n3c2)[C@@H]1C ZINC000993986126 696482404 /nfs/dbraw/zinc/48/24/04/696482404.db2.gz LBROLIWFGAYSJY-WCQYABFASA-N 1 2 349.822 1.770 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CCN(C(C)=O)CC2)[C@H]1C ZINC000994373152 696767778 /nfs/dbraw/zinc/76/77/78/696767778.db2.gz INVFFLPXBJXTBP-CJNGLKHVSA-N 1 2 341.883 1.967 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CCN(C(C)=O)CC2)[C@H]1C ZINC000994373152 696767779 /nfs/dbraw/zinc/76/77/79/696767779.db2.gz INVFFLPXBJXTBP-CJNGLKHVSA-N 1 2 341.883 1.967 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000352252654 697141094 /nfs/dbraw/zinc/14/10/94/697141094.db2.gz TXFBBPBZZNOJEO-LSDHHAIUSA-N 1 2 332.448 1.987 20 30 EDEDLO O=C(C#CC1CC1)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060730720 697270669 /nfs/dbraw/zinc/27/06/69/697270669.db2.gz WOVMBMPTSOYROM-SHTZXODSSA-N 1 2 328.416 1.157 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccsc2C#N)C[C@H]1C(C)(C)C ZINC000919604038 697304290 /nfs/dbraw/zinc/30/42/90/697304290.db2.gz OCIJQWPVEGZNCK-ZDUSSCGKSA-N 1 2 327.475 1.971 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccsc2C#N)C[C@H]1C(C)(C)C ZINC000919604038 697304292 /nfs/dbraw/zinc/30/42/92/697304292.db2.gz OCIJQWPVEGZNCK-ZDUSSCGKSA-N 1 2 327.475 1.971 20 30 EDEDLO Cn1cc(C[NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)c(C(F)F)n1 ZINC001031622901 697352982 /nfs/dbraw/zinc/35/29/82/697352982.db2.gz MSTNNGIBKWUBFX-UHFFFAOYSA-N 1 2 348.357 1.419 20 30 EDEDLO COc1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)on1 ZINC001031624320 697357400 /nfs/dbraw/zinc/35/74/00/697357400.db2.gz BJIWAUDRVXJQPV-UHFFFAOYSA-N 1 2 343.358 1.536 20 30 EDEDLO N#CCC1(CS(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000920616689 697454181 /nfs/dbraw/zinc/45/41/81/697454181.db2.gz WATVDDGNGZPHJZ-UHFFFAOYSA-N 1 2 334.445 1.982 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccnn1C(F)F ZINC001031697676 697600375 /nfs/dbraw/zinc/60/03/75/697600375.db2.gz CCISOZLZEIAXQM-UHFFFAOYSA-N 1 2 344.365 1.992 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001031712612 697726323 /nfs/dbraw/zinc/72/63/23/697726323.db2.gz DPTCUHWIHJHGLN-AWEZNQCLSA-N 1 2 341.883 1.824 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000943341659 698161475 /nfs/dbraw/zinc/16/14/75/698161475.db2.gz CXKKDYXEDWYMRU-CRAIPNDOSA-N 1 2 332.448 1.983 20 30 EDEDLO Cn1nccc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031870469 700217577 /nfs/dbraw/zinc/21/75/77/700217577.db2.gz PTERSGOYICHSSE-QZTJIDSGSA-N 1 2 349.438 1.643 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@H](C)C1 ZINC000943717779 698734930 /nfs/dbraw/zinc/73/49/30/698734930.db2.gz PUOKHYFNIHBTAX-ZYHUDNBSSA-N 1 2 339.237 1.825 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@H](C)C1 ZINC000943717779 698734931 /nfs/dbraw/zinc/73/49/31/698734931.db2.gz PUOKHYFNIHBTAX-ZYHUDNBSSA-N 1 2 339.237 1.825 20 30 EDEDLO C=CCOc1ccccc1C(=O)NCC1C[NH+](CC(=O)N2CCC2)C1 ZINC001031778633 699178326 /nfs/dbraw/zinc/17/83/26/699178326.db2.gz SQZWMOUOLMDDIX-UHFFFAOYSA-N 1 2 343.427 1.145 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CC)no3)C2)c1 ZINC000939114862 699196694 /nfs/dbraw/zinc/19/66/94/699196694.db2.gz ZLSHTYSIDAHNKD-IUODEOHRSA-N 1 2 339.399 1.259 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3conc3C3CC3)CC2)C1 ZINC000941560112 701583037 /nfs/dbraw/zinc/58/30/37/701583037.db2.gz XNGCGMQKKYQTTC-UHFFFAOYSA-N 1 2 328.416 1.017 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N[C@@H](CC(C)C)C2)C1 ZINC001031801335 699345721 /nfs/dbraw/zinc/34/57/21/699345721.db2.gz CLOLSOKKBVKQAP-CABCVRRESA-N 1 2 341.883 1.728 20 30 EDEDLO C[C@@H]1COCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031960413 701584846 /nfs/dbraw/zinc/58/48/46/701584846.db2.gz LCYRNKULCRIMGR-DYVFJYSZSA-N 1 2 345.418 1.918 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)OC3CCCC3)CC2)C1 ZINC000941590393 701585449 /nfs/dbraw/zinc/58/54/49/701585449.db2.gz NPALYDMCFRUYKN-LJQANCHMSA-N 1 2 347.503 1.576 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3csc(Cl)c3)CC2)C1 ZINC000941595123 701587039 /nfs/dbraw/zinc/58/70/39/701587039.db2.gz DUIUCUOVMOFEGP-UHFFFAOYSA-N 1 2 337.876 1.867 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCO[C@@H](CCC)C3)CC2)C1 ZINC000941617644 701597812 /nfs/dbraw/zinc/59/78/12/701597812.db2.gz FMHIACLAEOUZHE-MJGOQNOKSA-N 1 2 347.503 1.433 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000939483129 699616220 /nfs/dbraw/zinc/61/62/20/699616220.db2.gz WTZFOXYOGNVKIU-RDTXWAMCSA-N 1 2 332.448 1.624 20 30 EDEDLO C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C[C@H]1C ZINC000939505612 699643438 /nfs/dbraw/zinc/64/34/38/699643438.db2.gz HZXVZUWBXSZERL-YGRLFVJLSA-N 1 2 348.838 1.613 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3oc(CCC)nc3C)CC2)C1 ZINC000941639767 701603178 /nfs/dbraw/zinc/60/31/78/701603178.db2.gz YMTZBYIIVBOASX-UHFFFAOYSA-N 1 2 344.459 1.401 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccn3C3CCCC3)CC2)C1 ZINC000941621179 701604090 /nfs/dbraw/zinc/60/40/90/701604090.db2.gz WJDCKQGLDMRQKX-UHFFFAOYSA-N 1 2 340.471 1.678 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3OCC)CC2)C1 ZINC000941654919 701606134 /nfs/dbraw/zinc/60/61/34/701606134.db2.gz OHSQJVXPOUAVST-UHFFFAOYSA-N 1 2 327.428 1.161 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)o3)[C@@H](C)C2)cn1 ZINC000939567784 699710713 /nfs/dbraw/zinc/71/07/13/699710713.db2.gz NGQYGRUHODGXIT-NHYWBVRUSA-N 1 2 325.372 1.005 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4ccccc4o3)CC2)C1 ZINC000941657714 701607203 /nfs/dbraw/zinc/60/72/03/701607203.db2.gz JVCRVNOSJCTRQP-UHFFFAOYSA-N 1 2 337.423 1.898 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4nccnc4c3)CC2)C1 ZINC000941660356 701608042 /nfs/dbraw/zinc/60/80/42/701608042.db2.gz KKESHZOMKBFYPA-UHFFFAOYSA-N 1 2 349.438 1.095 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(C4CCCCC4)CC3)CC2)C1 ZINC000941653235 701612439 /nfs/dbraw/zinc/61/24/39/701612439.db2.gz JIFKXQYVXGHYKL-UHFFFAOYSA-N 1 2 329.488 1.809 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(Cl)cn3CC)CC2)C1 ZINC000941668582 701622674 /nfs/dbraw/zinc/62/26/74/701622674.db2.gz PNDNNLLSZMHKOF-UHFFFAOYSA-N 1 2 348.878 1.627 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)C[C@H]3CCCO3)CC2)C1 ZINC000941681957 701626520 /nfs/dbraw/zinc/62/65/20/701626520.db2.gz ZXGOYXGCWVCZFQ-FUHWJXTLSA-N 1 2 333.476 1.043 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CC3CCC(OC)CC3)CC2)C1 ZINC000941684974 701630421 /nfs/dbraw/zinc/63/04/21/701630421.db2.gz JIHYSMKUMKBGLU-UHFFFAOYSA-N 1 2 333.476 1.043 20 30 EDEDLO COc1nc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)co1 ZINC001031880706 700499117 /nfs/dbraw/zinc/49/91/17/700499117.db2.gz NTXSVKYSISCEES-UHFFFAOYSA-N 1 2 325.368 1.397 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3nnnn3C)CC2(C)C)C1 ZINC000941018547 701058143 /nfs/dbraw/zinc/05/81/43/701058143.db2.gz XTYCPRKKUMHCAB-KBPBESRZSA-N 1 2 346.479 1.844 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3nnnn3C)CC2(C)C)C1 ZINC000941018547 701058145 /nfs/dbraw/zinc/05/81/45/701058145.db2.gz XTYCPRKKUMHCAB-KBPBESRZSA-N 1 2 346.479 1.844 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nccn2C)CC1(C)C ZINC000941040274 701062286 /nfs/dbraw/zinc/06/22/86/701062286.db2.gz ZHGQXPBHBGEYRN-OWCLPIDISA-N 1 2 346.475 1.728 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nccn2C)CC1(C)C ZINC000941040274 701062287 /nfs/dbraw/zinc/06/22/87/701062287.db2.gz ZHGQXPBHBGEYRN-OWCLPIDISA-N 1 2 346.475 1.728 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000945999733 701353385 /nfs/dbraw/zinc/35/33/85/701353385.db2.gz BYBGXKMCKNSDMU-ZBFHGGJFSA-N 1 2 344.459 1.922 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3C3CCC3)CC2)C1 ZINC000941410869 701527144 /nfs/dbraw/zinc/52/71/44/701527144.db2.gz PXOYWCLMWSLFEV-UHFFFAOYSA-N 1 2 341.459 1.073 20 30 EDEDLO CC1(C(=O)N2CCN(C3C[NH+](Cc4cccc(C#N)c4)C3)CC2)CC1 ZINC000941418347 701531573 /nfs/dbraw/zinc/53/15/73/701531573.db2.gz PBKHEAVVVLSSQE-UHFFFAOYSA-N 1 2 338.455 1.687 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cccc4cnccc43)CC2)C1 ZINC000941455685 701542795 /nfs/dbraw/zinc/54/27/95/701542795.db2.gz AMQRFBLADPJJRD-UHFFFAOYSA-N 1 2 348.450 1.239 20 30 EDEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3ccc(OC)nn3)C2)CC1 ZINC001031952063 701543032 /nfs/dbraw/zinc/54/30/32/701543032.db2.gz XNWMXFDXWWOHET-UHFFFAOYSA-N 1 2 330.432 1.780 20 30 EDEDLO C=C1CCC(C(=O)NCC2C[NH+](C[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001031951835 701548507 /nfs/dbraw/zinc/54/85/07/701548507.db2.gz QAKVTLWKGGTMAO-CQSZACIVSA-N 1 2 340.489 1.216 20 30 EDEDLO O=C(C#CC1CC1)N1CCC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000944008059 701851841 /nfs/dbraw/zinc/85/18/41/701851841.db2.gz AMWZKESWISJFQS-OAHLLOKOSA-N 1 2 336.395 1.469 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)nc1 ZINC001032135317 701895953 /nfs/dbraw/zinc/89/59/53/701895953.db2.gz PFYFDKHBSCUYKD-UHFFFAOYSA-N 1 2 348.381 1.935 20 30 EDEDLO CCn1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)n1 ZINC000941963898 702252349 /nfs/dbraw/zinc/25/23/49/702252349.db2.gz NFCSXFIMVWSBEI-MLGOLLRUSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)n1 ZINC000941963898 702252352 /nfs/dbraw/zinc/25/23/52/702252352.db2.gz NFCSXFIMVWSBEI-MLGOLLRUSA-N 1 2 341.419 1.138 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000944183702 702465279 /nfs/dbraw/zinc/46/52/79/702465279.db2.gz WATOYWUEYDJMRX-LSDHHAIUSA-N 1 2 344.459 1.765 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000944183696 702465436 /nfs/dbraw/zinc/46/54/36/702465436.db2.gz VVLSMWWRXBTDHM-RBSFLKMASA-N 1 2 344.459 1.843 20 30 EDEDLO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001032670138 706673117 /nfs/dbraw/zinc/67/31/17/706673117.db2.gz NZBIJNGTQLXAFF-IHRRRGAJSA-N 1 2 331.441 1.917 20 30 EDEDLO C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001032670138 706673120 /nfs/dbraw/zinc/67/31/20/706673120.db2.gz NZBIJNGTQLXAFF-IHRRRGAJSA-N 1 2 331.441 1.917 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)C[C@H]2C)nc1 ZINC000944193603 702489219 /nfs/dbraw/zinc/48/92/19/702489219.db2.gz YAWJSOPOLMMYCP-DOMZBBRYSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)C[C@H]2C)nc1 ZINC000944193603 702489221 /nfs/dbraw/zinc/48/92/21/702489221.db2.gz YAWJSOPOLMMYCP-DOMZBBRYSA-N 1 2 339.399 1.395 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CCCO2)s1 ZINC001032293765 702578893 /nfs/dbraw/zinc/57/88/93/702578893.db2.gz DOVPVYXOZJEYEF-IHRRRGAJSA-N 1 2 331.441 1.974 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CCCO2)s1 ZINC001032293765 702578897 /nfs/dbraw/zinc/57/88/97/702578897.db2.gz DOVPVYXOZJEYEF-IHRRRGAJSA-N 1 2 331.441 1.974 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000942216991 702719475 /nfs/dbraw/zinc/71/94/75/702719475.db2.gz UMUCTFCFNRGNQH-ABAIWWIYSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000942216991 702719476 /nfs/dbraw/zinc/71/94/76/702719476.db2.gz UMUCTFCFNRGNQH-ABAIWWIYSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000942216421 702731221 /nfs/dbraw/zinc/73/12/21/702731221.db2.gz MCICRBUNXKWHFS-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000942216421 702731222 /nfs/dbraw/zinc/73/12/22/702731222.db2.gz MCICRBUNXKWHFS-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000942216421 702731224 /nfs/dbraw/zinc/73/12/24/702731224.db2.gz MCICRBUNXKWHFS-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000942216421 702731225 /nfs/dbraw/zinc/73/12/25/702731225.db2.gz MCICRBUNXKWHFS-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C=CCn1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)nn1 ZINC001032035508 703103139 /nfs/dbraw/zinc/10/31/39/703103139.db2.gz BVKKPBQQWADCDL-UHFFFAOYSA-N 1 2 335.411 1.177 20 30 EDEDLO C[C@@H](NC(=O)c1cnn[nH]1)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000997201460 703482975 /nfs/dbraw/zinc/48/29/75/703482975.db2.gz QZHYXYZTCUFAPP-CYBMUJFWSA-N 1 2 338.415 1.707 20 30 EDEDLO C#CCC[NH+]1CCC([C@H](C)NC(=O)c2cncc3nc[nH]c32)CC1 ZINC000997605674 703903172 /nfs/dbraw/zinc/90/31/72/703903172.db2.gz SDXXJJGCIGYCGJ-ZDUSSCGKSA-N 1 2 325.416 1.812 20 30 EDEDLO N#Cc1cccnc1N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061477786 704258227 /nfs/dbraw/zinc/25/82/27/704258227.db2.gz NDUCUHMIHVCWAH-RBSFLKMASA-N 1 2 336.399 1.565 20 30 EDEDLO N#Cc1cccnc1N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061477786 704258231 /nfs/dbraw/zinc/25/82/31/704258231.db2.gz NDUCUHMIHVCWAH-RBSFLKMASA-N 1 2 336.399 1.565 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@@H](C)C1 ZINC000944919318 704770907 /nfs/dbraw/zinc/77/09/07/704770907.db2.gz NWTDAIIDQQGHLW-CMPLNLGQSA-N 1 2 341.253 1.769 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@@H](C)C1 ZINC000944919318 704770909 /nfs/dbraw/zinc/77/09/09/704770909.db2.gz NWTDAIIDQQGHLW-CMPLNLGQSA-N 1 2 341.253 1.769 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@]2(F)CCOC2)c1 ZINC001032587021 705106506 /nfs/dbraw/zinc/10/65/06/705106506.db2.gz GZUPFOOBIJTGOD-BQFCYCMXSA-N 1 2 329.375 1.472 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@]2(F)CCOC2)c1 ZINC001032587021 705106508 /nfs/dbraw/zinc/10/65/08/705106508.db2.gz GZUPFOOBIJTGOD-BQFCYCMXSA-N 1 2 329.375 1.472 20 30 EDEDLO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC000998046052 705241750 /nfs/dbraw/zinc/24/17/50/705241750.db2.gz UKWDUAFKWKXOFB-HFTRVMKXSA-N 1 2 348.406 1.838 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cncc(C)c1 ZINC001032638022 706076450 /nfs/dbraw/zinc/07/64/50/706076450.db2.gz GCIVQERUEPWVAF-FJIDUMEYSA-N 1 2 327.428 1.766 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cncc(C)c1 ZINC001032638022 706076451 /nfs/dbraw/zinc/07/64/51/706076451.db2.gz GCIVQERUEPWVAF-FJIDUMEYSA-N 1 2 327.428 1.766 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(F)F)s2)C1 ZINC000998756679 706191692 /nfs/dbraw/zinc/19/16/92/706191692.db2.gz VLCQBRFSZSINCF-DTWKUNHWSA-N 1 2 329.376 1.716 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C2 ZINC000999736591 707282847 /nfs/dbraw/zinc/28/28/47/707282847.db2.gz XONOJQOJYZHYFO-RDBSUJKOSA-N 1 2 330.432 1.803 20 30 EDEDLO Cc1n[nH]nc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033318732 707513614 /nfs/dbraw/zinc/51/36/14/707513614.db2.gz ORXCYVZHRWWAAX-CQSZACIVSA-N 1 2 342.378 1.470 20 30 EDEDLO Cc1n[nH]nc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033318732 707513620 /nfs/dbraw/zinc/51/36/20/707513620.db2.gz ORXCYVZHRWWAAX-CQSZACIVSA-N 1 2 342.378 1.470 20 30 EDEDLO CN(C(=O)[C@@]1(F)CCOC1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033369195 707701803 /nfs/dbraw/zinc/70/18/03/707701803.db2.gz LXBJHLCQWURUNY-CRAIPNDOSA-N 1 2 349.381 1.859 20 30 EDEDLO CN(C(=O)[C@@]1(F)CCOC1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033369195 707701808 /nfs/dbraw/zinc/70/18/08/707701808.db2.gz LXBJHLCQWURUNY-CRAIPNDOSA-N 1 2 349.381 1.859 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnnn3CC)C2)c1 ZINC001033405021 707813971 /nfs/dbraw/zinc/81/39/71/707813971.db2.gz IOAIKABSAQDBGU-MRXNPFEDSA-N 1 2 338.415 1.021 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnnn3CC)C2)c1 ZINC001033405021 707813974 /nfs/dbraw/zinc/81/39/74/707813974.db2.gz IOAIKABSAQDBGU-MRXNPFEDSA-N 1 2 338.415 1.021 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C(N)=O)c2)c1 ZINC001032785228 707990852 /nfs/dbraw/zinc/99/08/52/707990852.db2.gz BVNBWURQHDVWRJ-HOTGVXAUSA-N 1 2 349.394 1.084 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C(N)=O)c2)c1 ZINC001032785228 707990854 /nfs/dbraw/zinc/99/08/54/707990854.db2.gz BVNBWURQHDVWRJ-HOTGVXAUSA-N 1 2 349.394 1.084 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CNc2cnc(C#N)cn2)C1 ZINC001061004683 708151129 /nfs/dbraw/zinc/15/11/29/708151129.db2.gz QMRULWOZTYROHF-STQMWFEESA-N 1 2 339.403 1.211 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CNc2cnc(C#N)cn2)C1 ZINC001061004683 708151131 /nfs/dbraw/zinc/15/11/31/708151131.db2.gz QMRULWOZTYROHF-STQMWFEESA-N 1 2 339.403 1.211 20 30 EDEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001033616349 708342789 /nfs/dbraw/zinc/34/27/89/708342789.db2.gz HCWGZRGUHMACFA-QGZVFWFLSA-N 1 2 337.427 1.072 20 30 EDEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001033616349 708342793 /nfs/dbraw/zinc/34/27/93/708342793.db2.gz HCWGZRGUHMACFA-QGZVFWFLSA-N 1 2 337.427 1.072 20 30 EDEDLO Cc1ccnc(C[NH+]2CCC(N(C)C(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001005260607 708419162 /nfs/dbraw/zinc/41/91/62/708419162.db2.gz PGMAWHIRIXKNHW-UHFFFAOYSA-N 1 2 338.415 1.721 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001033673007 708465689 /nfs/dbraw/zinc/46/56/89/708465689.db2.gz VCVOXALSGAEOHS-CYBMUJFWSA-N 1 2 337.855 1.520 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001033673007 708465690 /nfs/dbraw/zinc/46/56/90/708465690.db2.gz VCVOXALSGAEOHS-CYBMUJFWSA-N 1 2 337.855 1.520 20 30 EDEDLO C=CCCC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001061040882 708498202 /nfs/dbraw/zinc/49/82/02/708498202.db2.gz KXMUDHZCRZVSJS-HUUCEWRRSA-N 1 2 342.443 1.930 20 30 EDEDLO C=CCCC(=O)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001061040882 708498203 /nfs/dbraw/zinc/49/82/03/708498203.db2.gz KXMUDHZCRZVSJS-HUUCEWRRSA-N 1 2 342.443 1.930 20 30 EDEDLO CCn1ccc(C[NH+]2CCC(N(C)C(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001005276646 708505264 /nfs/dbraw/zinc/50/52/64/708505264.db2.gz JWBIKYBKGMXPOW-UHFFFAOYSA-N 1 2 340.431 1.839 20 30 EDEDLO CCN(C(=O)c1ncn(C)n1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033822351 708845631 /nfs/dbraw/zinc/84/56/31/708845631.db2.gz XXKSDNAWZMSZDW-INIZCTEOSA-N 1 2 338.415 1.423 20 30 EDEDLO CCN(C(=O)c1ncn(C)n1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033822351 708845633 /nfs/dbraw/zinc/84/56/33/708845633.db2.gz XXKSDNAWZMSZDW-INIZCTEOSA-N 1 2 338.415 1.423 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccn3nnnc23)C1 ZINC001033850228 708901565 /nfs/dbraw/zinc/90/15/65/708901565.db2.gz MIGQAWBDWMHSDO-GFCCVEGCSA-N 1 2 334.811 1.413 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccn3nnnc23)C1 ZINC001033850228 708901567 /nfs/dbraw/zinc/90/15/67/708901567.db2.gz MIGQAWBDWMHSDO-GFCCVEGCSA-N 1 2 334.811 1.413 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccnn2CCOC)C1 ZINC001033867057 708951142 /nfs/dbraw/zinc/95/11/42/708951142.db2.gz OKDARMSPWFWYJV-AWEZNQCLSA-N 1 2 340.855 1.818 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnn2CCOC)C1 ZINC001033867057 708951146 /nfs/dbraw/zinc/95/11/46/708951146.db2.gz OKDARMSPWFWYJV-AWEZNQCLSA-N 1 2 340.855 1.818 20 30 EDEDLO C=CCOc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](CC(N)=O)C2)cc1 ZINC001033879961 708976234 /nfs/dbraw/zinc/97/62/34/708976234.db2.gz IIZGNEDVVRRNSS-OAHLLOKOSA-N 1 2 331.416 1.273 20 30 EDEDLO C=CCOc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](CC(N)=O)C2)cc1 ZINC001033879961 708976236 /nfs/dbraw/zinc/97/62/36/708976236.db2.gz IIZGNEDVVRRNSS-OAHLLOKOSA-N 1 2 331.416 1.273 20 30 EDEDLO Cc1cc(C#N)nc(N[C@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001061095928 709015045 /nfs/dbraw/zinc/01/50/45/709015045.db2.gz PEVGGGNYWMNKPP-KGLIPLIRSA-N 1 2 339.403 1.393 20 30 EDEDLO CCN(C(=O)c1cnon1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033993872 709202450 /nfs/dbraw/zinc/20/24/50/709202450.db2.gz BMOAOSDOUCGDMY-AWEZNQCLSA-N 1 2 343.362 1.817 20 30 EDEDLO CCN(C(=O)c1cnon1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033993872 709202452 /nfs/dbraw/zinc/20/24/52/709202452.db2.gz BMOAOSDOUCGDMY-AWEZNQCLSA-N 1 2 343.362 1.817 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001034031037 709259029 /nfs/dbraw/zinc/25/90/29/709259029.db2.gz CYCBMOAZSRQIPT-ZIAGYGMSSA-N 1 2 327.856 1.673 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001034031037 709259030 /nfs/dbraw/zinc/25/90/30/709259030.db2.gz CYCBMOAZSRQIPT-ZIAGYGMSSA-N 1 2 327.856 1.673 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001034031036 709259112 /nfs/dbraw/zinc/25/91/12/709259112.db2.gz CYCBMOAZSRQIPT-UONOGXRCSA-N 1 2 327.856 1.673 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001034031036 709259114 /nfs/dbraw/zinc/25/91/14/709259114.db2.gz CYCBMOAZSRQIPT-UONOGXRCSA-N 1 2 327.856 1.673 20 30 EDEDLO C=CCCCC(=O)NCCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001058081758 709991105 /nfs/dbraw/zinc/99/11/05/709991105.db2.gz VXOOQNBPAKYOEI-UHFFFAOYSA-N 1 2 344.415 1.241 20 30 EDEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H](NC(=O)c2cnon2)C1 ZINC001034448803 710048845 /nfs/dbraw/zinc/04/88/45/710048845.db2.gz AFSGQXRMRKZHRW-OAHLLOKOSA-N 1 2 325.372 1.726 20 30 EDEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H](NC(=O)c2cnon2)C1 ZINC001034448803 710048849 /nfs/dbraw/zinc/04/88/49/710048849.db2.gz AFSGQXRMRKZHRW-OAHLLOKOSA-N 1 2 325.372 1.726 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)c3nnc[nH]3)CC2)c1 ZINC001003814152 710587086 /nfs/dbraw/zinc/58/70/86/710587086.db2.gz QHORSYMTQGQULI-UHFFFAOYSA-N 1 2 328.351 1.210 20 30 EDEDLO CN(C(=O)c1cn(C)cn1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033011298 711240303 /nfs/dbraw/zinc/24/03/03/711240303.db2.gz WCGKJKMCCPVZEV-OAHLLOKOSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1cn(C)cn1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033011298 711240307 /nfs/dbraw/zinc/24/03/07/711240307.db2.gz WCGKJKMCCPVZEV-OAHLLOKOSA-N 1 2 341.390 1.777 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3nncn3C)CC2)nc1 ZINC001004005709 711248791 /nfs/dbraw/zinc/24/87/91/711248791.db2.gz WMQHZXAIPUMOFB-ZDUSSCGKSA-N 1 2 338.415 1.147 20 30 EDEDLO CCc1c(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cnn1C ZINC001004478120 711857692 /nfs/dbraw/zinc/85/76/92/711857692.db2.gz UUNWURUCWUQJOL-QGZVFWFLSA-N 1 2 329.448 1.823 20 30 EDEDLO CCc1c(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cnn1C ZINC001004478120 711857695 /nfs/dbraw/zinc/85/76/95/711857695.db2.gz UUNWURUCWUQJOL-QGZVFWFLSA-N 1 2 329.448 1.823 20 30 EDEDLO Cn1ccnc1CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004497445 711885593 /nfs/dbraw/zinc/88/55/93/711885593.db2.gz JCSKQOGDKAJPRR-INIZCTEOSA-N 1 2 329.448 1.579 20 30 EDEDLO Cn1ccnc1CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004497445 711885594 /nfs/dbraw/zinc/88/55/94/711885594.db2.gz JCSKQOGDKAJPRR-INIZCTEOSA-N 1 2 329.448 1.579 20 30 EDEDLO Cc1n[nH]c(=O)c(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1C ZINC001004499052 711889056 /nfs/dbraw/zinc/88/90/56/711889056.db2.gz KLQXCFGOXBMJIC-HNNXBMFYSA-N 1 2 343.431 1.639 20 30 EDEDLO Cc1n[nH]c(=O)c(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1C ZINC001004499052 711889060 /nfs/dbraw/zinc/88/90/60/711889060.db2.gz KLQXCFGOXBMJIC-HNNXBMFYSA-N 1 2 343.431 1.639 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001033151911 712138621 /nfs/dbraw/zinc/13/86/21/712138621.db2.gz NNZIIFLKOVMVAM-CZUORRHYSA-N 1 2 347.846 1.799 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001033151911 712138623 /nfs/dbraw/zinc/13/86/23/712138623.db2.gz NNZIIFLKOVMVAM-CZUORRHYSA-N 1 2 347.846 1.799 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001033165907 712287517 /nfs/dbraw/zinc/28/75/17/712287517.db2.gz POPNBPKJOGZXKI-NSHDSACASA-N 1 2 341.209 1.237 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001033165907 712287521 /nfs/dbraw/zinc/28/75/21/712287521.db2.gz POPNBPKJOGZXKI-NSHDSACASA-N 1 2 341.209 1.237 20 30 EDEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814806 529837232 /nfs/dbraw/zinc/83/72/32/529837232.db2.gz DGIUMACHQGOYTC-VQIMIIECSA-N 1 2 340.427 1.532 20 30 EDEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814806 529837234 /nfs/dbraw/zinc/83/72/34/529837234.db2.gz DGIUMACHQGOYTC-VQIMIIECSA-N 1 2 340.427 1.532 20 30 EDEDLO C[N@H+](CC(=O)NCC#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445902558 282353832 /nfs/dbraw/zinc/35/38/32/282353832.db2.gz FFCPATRMFMZCKB-GFCCVEGCSA-N 1 2 338.205 1.844 20 30 EDEDLO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445902558 282353834 /nfs/dbraw/zinc/35/38/34/282353834.db2.gz FFCPATRMFMZCKB-GFCCVEGCSA-N 1 2 338.205 1.844 20 30 EDEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCNC(=O)CC1)C1CCOCC1 ZINC000329349494 539430932 /nfs/dbraw/zinc/43/09/32/539430932.db2.gz SROVJPNJFHVBDF-OAHLLOKOSA-N 1 2 349.435 1.947 20 30 EDEDLO C[C@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[C@H]1CCCCO1 ZINC000329453703 539437913 /nfs/dbraw/zinc/43/79/13/539437913.db2.gz NRNCCSGIHQGLOA-QWHCGFSZSA-N 1 2 326.441 1.789 20 30 EDEDLO Cc1nc(C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)ccc1C#N ZINC000561697275 306290168 /nfs/dbraw/zinc/29/01/68/306290168.db2.gz GJIFYBLAFQTDRU-UHFFFAOYSA-N 1 2 349.398 1.534 20 30 EDEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000158050525 539989196 /nfs/dbraw/zinc/98/91/96/539989196.db2.gz MMBFLYXFOGVVCB-HNNXBMFYSA-N 1 2 326.849 1.705 20 30 EDEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000158050525 539989197 /nfs/dbraw/zinc/98/91/97/539989197.db2.gz MMBFLYXFOGVVCB-HNNXBMFYSA-N 1 2 326.849 1.705 20 30 EDEDLO N#Cc1csc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000084183063 138269818 /nfs/dbraw/zinc/26/98/18/138269818.db2.gz UUTBFXUTKQLPLO-OAHLLOKOSA-N 1 2 337.470 1.557 20 30 EDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(N3CCCC3=O)CC2)cc1 ZINC000104729594 138300592 /nfs/dbraw/zinc/30/05/92/138300592.db2.gz TXZSWOBCDMXDRY-UHFFFAOYSA-N 1 2 326.400 1.584 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093077776 138291754 /nfs/dbraw/zinc/29/17/54/138291754.db2.gz CTHRBVUDNKNALD-AWEZNQCLSA-N 1 2 330.432 1.716 20 30 EDEDLO N#Cc1nc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)ccc1Cl ZINC000364055489 283249557 /nfs/dbraw/zinc/24/95/57/283249557.db2.gz MMKCEBFJSBJIGE-CQSZACIVSA-N 1 2 333.823 1.397 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)N(CC)CCC#N)[C@H]1c1c[nH+]cn1C ZINC000355040692 283311071 /nfs/dbraw/zinc/31/10/71/283311071.db2.gz QBUSCIDPFAPOFC-PBHICJAKSA-N 1 2 345.447 1.872 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000088523946 237000386 /nfs/dbraw/zinc/00/03/86/237000386.db2.gz XUUIIWHCEHPWFI-QGZVFWFLSA-N 1 2 340.387 1.674 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000176891178 237360255 /nfs/dbraw/zinc/36/02/55/237360255.db2.gz RSRHGJBGRMGUMQ-UHFFFAOYSA-N 1 2 337.427 1.896 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2noc3c2CCCC3)c1 ZINC000564869346 306367825 /nfs/dbraw/zinc/36/78/25/306367825.db2.gz UQUVBSQAHUQOSY-UHFFFAOYSA-N 1 2 345.424 1.989 20 30 EDEDLO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000267307967 249359352 /nfs/dbraw/zinc/35/93/52/249359352.db2.gz MBKYKYZAQQXAMF-GFCCVEGCSA-N 1 2 346.383 1.542 20 30 EDEDLO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000267307967 249359356 /nfs/dbraw/zinc/35/93/56/249359356.db2.gz MBKYKYZAQQXAMF-GFCCVEGCSA-N 1 2 346.383 1.542 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000341857582 250000622 /nfs/dbraw/zinc/00/06/22/250000622.db2.gz BOGYKGPZRKMOTM-QGZVFWFLSA-N 1 2 328.416 1.915 20 30 EDEDLO C=CCOc1cccnc1C(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000345407280 250030103 /nfs/dbraw/zinc/03/01/03/250030103.db2.gz HTNLWDYFYMMGGK-GJZGRUSLSA-N 1 2 333.432 1.828 20 30 EDEDLO C=CCN(CCOC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000358294731 250130232 /nfs/dbraw/zinc/13/02/32/250130232.db2.gz RFZZBKQNKAJZME-SFHVURJKSA-N 1 2 347.459 1.731 20 30 EDEDLO C=CCN(CCOC)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000358294731 250130238 /nfs/dbraw/zinc/13/02/38/250130238.db2.gz RFZZBKQNKAJZME-SFHVURJKSA-N 1 2 347.459 1.731 20 30 EDEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000358634668 250141713 /nfs/dbraw/zinc/14/17/13/250141713.db2.gz SUXSWVFZVWXJHF-UHFFFAOYSA-N 1 2 339.417 1.867 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCn2c[nH+]cc2C1 ZINC000367902445 250197670 /nfs/dbraw/zinc/19/76/70/250197670.db2.gz YWHYPGMGZUWZTO-UHFFFAOYSA-N 1 2 326.404 1.585 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000372334564 250218018 /nfs/dbraw/zinc/21/80/18/250218018.db2.gz RIICZWHGOVAQIZ-AWEZNQCLSA-N 1 2 340.431 1.743 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000372334564 250218021 /nfs/dbraw/zinc/21/80/21/250218021.db2.gz RIICZWHGOVAQIZ-AWEZNQCLSA-N 1 2 340.431 1.743 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2nccnc2C)CC1 ZINC000374126992 250254189 /nfs/dbraw/zinc/25/41/89/250254189.db2.gz UBUXSGWCPKUUQI-INIZCTEOSA-N 1 2 331.464 1.720 20 30 EDEDLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nc(C)nc(C)c2C#N)CC1 ZINC000249684751 139196871 /nfs/dbraw/zinc/19/68/71/139196871.db2.gz FCBXAEVUNJNYSU-LBPRGKRZSA-N 1 2 333.461 1.610 20 30 EDEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@H]2CC(N)=O)ccc1OC ZINC000449766532 254645975 /nfs/dbraw/zinc/64/59/75/254645975.db2.gz BPJAPOYGUYNPRL-OAHLLOKOSA-N 1 2 334.416 1.726 20 30 EDEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@H]2CC(N)=O)ccc1OC ZINC000449766532 254645977 /nfs/dbraw/zinc/64/59/77/254645977.db2.gz BPJAPOYGUYNPRL-OAHLLOKOSA-N 1 2 334.416 1.726 20 30 EDEDLO C#CCN(CC#CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000490699210 255101040 /nfs/dbraw/zinc/10/10/40/255101040.db2.gz PDZLXEBJKMVVAO-LJQANCHMSA-N 1 2 339.439 1.556 20 30 EDEDLO C#CCN(CC#CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000490699210 255101042 /nfs/dbraw/zinc/10/10/42/255101042.db2.gz PDZLXEBJKMVVAO-LJQANCHMSA-N 1 2 339.439 1.556 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](C)c2sc(C)nc2C)CC1 ZINC000490760216 255105256 /nfs/dbraw/zinc/10/52/56/255105256.db2.gz KBUBXIDAVNLYTK-CQSZACIVSA-N 1 2 334.489 1.530 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](C)[C@H](C)c2sc(C)nc2C)CC1 ZINC000490760216 255105258 /nfs/dbraw/zinc/10/52/58/255105258.db2.gz KBUBXIDAVNLYTK-CQSZACIVSA-N 1 2 334.489 1.530 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H]3CCC(=O)c4cccc2c43)CC1 ZINC000490974203 255113550 /nfs/dbraw/zinc/11/35/50/255113550.db2.gz OGIAQTSYIOFFRU-OAHLLOKOSA-N 1 2 337.423 1.344 20 30 EDEDLO C#CCN1C(=O)C[C@H]([NH+]2CCC(c3ncccc3Cl)CC2)C1=O ZINC000491641409 255136131 /nfs/dbraw/zinc/13/61/31/255136131.db2.gz QLKWPOLOERRNIR-AWEZNQCLSA-N 1 2 331.803 1.675 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000491667656 255137493 /nfs/dbraw/zinc/13/74/93/255137493.db2.gz YDWHVHNICOEUFW-UHFFFAOYSA-N 1 2 348.378 1.304 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000491667656 255137494 /nfs/dbraw/zinc/13/74/94/255137494.db2.gz YDWHVHNICOEUFW-UHFFFAOYSA-N 1 2 348.378 1.304 20 30 EDEDLO C#CCNC(=O)C1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000491691121 255141514 /nfs/dbraw/zinc/14/15/14/255141514.db2.gz NWIVUNRDBHFYPH-UHFFFAOYSA-N 1 2 343.431 1.055 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O ZINC000491731540 255146431 /nfs/dbraw/zinc/14/64/31/255146431.db2.gz IPPFESDVPWFGGG-XHDPSFHLSA-N 1 2 339.317 1.907 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O ZINC000491731540 255146432 /nfs/dbraw/zinc/14/64/32/255146432.db2.gz IPPFESDVPWFGGG-XHDPSFHLSA-N 1 2 339.317 1.907 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2nc3cc(C)cc(C)c3o2)CC1 ZINC000491821488 255150160 /nfs/dbraw/zinc/15/01/60/255150160.db2.gz WAWZVCIOLTXYBF-UHFFFAOYSA-N 1 2 326.400 1.316 20 30 EDEDLO C#CCN(CC#C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000491624270 255133238 /nfs/dbraw/zinc/13/32/38/255133238.db2.gz GQFAWEXIXDLMGX-UHFFFAOYSA-N 1 2 344.484 1.882 20 30 EDEDLO COCCOc1cccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000493488879 255211696 /nfs/dbraw/zinc/21/16/96/255211696.db2.gz HQAPABUQNNCLMP-GFOMBABLSA-N 1 2 331.416 1.685 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494033637 255232750 /nfs/dbraw/zinc/23/27/50/255232750.db2.gz NIJTXZCXZZLKHJ-CQSZACIVSA-N 1 2 331.372 1.472 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494033637 255232751 /nfs/dbraw/zinc/23/27/51/255232751.db2.gz NIJTXZCXZZLKHJ-CQSZACIVSA-N 1 2 331.372 1.472 20 30 EDEDLO CC#CCCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495876600 255334110 /nfs/dbraw/zinc/33/41/10/255334110.db2.gz ONVAQAXVPUVQCO-OAHLLOKOSA-N 1 2 337.464 1.847 20 30 EDEDLO CC#CCCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495876600 255334111 /nfs/dbraw/zinc/33/41/11/255334111.db2.gz ONVAQAXVPUVQCO-OAHLLOKOSA-N 1 2 337.464 1.847 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091084383 533239378 /nfs/dbraw/zinc/23/93/78/533239378.db2.gz YSVLZXTWDUJPBH-AWEZNQCLSA-N 1 2 342.434 1.990 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(CC(F)F)CC1 ZINC000091084383 533239384 /nfs/dbraw/zinc/23/93/84/533239384.db2.gz YSVLZXTWDUJPBH-AWEZNQCLSA-N 1 2 342.434 1.990 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174932696 533339047 /nfs/dbraw/zinc/33/90/47/533339047.db2.gz WDJTXMGOSGCNAR-AWEZNQCLSA-N 1 2 338.415 1.441 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000270937097 140202815 /nfs/dbraw/zinc/20/28/15/140202815.db2.gz QXCULILBGDJMEL-CYBMUJFWSA-N 1 2 346.456 1.872 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000270937097 140202817 /nfs/dbraw/zinc/20/28/17/140202817.db2.gz QXCULILBGDJMEL-CYBMUJFWSA-N 1 2 346.456 1.872 20 30 EDEDLO N#Cc1csc(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)n1 ZINC000352836930 149185535 /nfs/dbraw/zinc/18/55/35/149185535.db2.gz NDQLNFSHIRJBKY-SNVBAGLBSA-N 1 2 343.455 1.001 20 30 EDEDLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355099011 150115724 /nfs/dbraw/zinc/11/57/24/150115724.db2.gz FWFYPDFWKNNZCL-CABCVRRESA-N 1 2 329.448 1.769 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)c1cccc(C#N)c1 ZINC000370050312 155303796 /nfs/dbraw/zinc/30/37/96/155303796.db2.gz OZWNAKOXNFVDJN-CRAIPNDOSA-N 1 2 342.443 1.035 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)c1cccc(C#N)c1 ZINC000370050312 155303801 /nfs/dbraw/zinc/30/38/01/155303801.db2.gz OZWNAKOXNFVDJN-CRAIPNDOSA-N 1 2 342.443 1.035 20 30 EDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000364722423 153314385 /nfs/dbraw/zinc/31/43/85/153314385.db2.gz KQLMAGWYPAHUAR-QGZVFWFLSA-N 1 2 349.456 1.185 20 30 EDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000364722423 153314387 /nfs/dbraw/zinc/31/43/87/153314387.db2.gz KQLMAGWYPAHUAR-QGZVFWFLSA-N 1 2 349.456 1.185 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2N1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000364829142 153345774 /nfs/dbraw/zinc/34/57/74/153345774.db2.gz SVTHJXYSXLAPKR-UHFFFAOYSA-N 1 2 347.382 1.084 20 30 EDEDLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367122492 154014803 /nfs/dbraw/zinc/01/48/03/154014803.db2.gz BRLOGTPJFDPONL-MRXNPFEDSA-N 1 2 337.445 1.261 20 30 EDEDLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367122492 154014806 /nfs/dbraw/zinc/01/48/06/154014806.db2.gz BRLOGTPJFDPONL-MRXNPFEDSA-N 1 2 337.445 1.261 20 30 EDEDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000367974860 154350964 /nfs/dbraw/zinc/35/09/64/154350964.db2.gz URUOGQDYHYLPSJ-UHFFFAOYSA-N 1 2 340.424 1.011 20 30 EDEDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000367974860 154350968 /nfs/dbraw/zinc/35/09/68/154350968.db2.gz URUOGQDYHYLPSJ-UHFFFAOYSA-N 1 2 340.424 1.011 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@]2(CCCOC2)O1 ZINC000373804066 157012624 /nfs/dbraw/zinc/01/26/24/157012624.db2.gz GIPPBUHBDDZKFH-HNAYVOBHSA-N 1 2 343.427 1.444 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@]2(CCCOC2)O1 ZINC000373804066 157012631 /nfs/dbraw/zinc/01/26/31/157012631.db2.gz GIPPBUHBDDZKFH-HNAYVOBHSA-N 1 2 343.427 1.444 20 30 EDEDLO N#Cc1ccccc1OCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000374009581 157106306 /nfs/dbraw/zinc/10/63/06/157106306.db2.gz ZGDRVNXFQNALFO-QGZVFWFLSA-N 1 2 343.427 1.650 20 30 EDEDLO C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1c1ccc(Cl)c(C#N)n1 ZINC000374153071 157167098 /nfs/dbraw/zinc/16/70/98/157167098.db2.gz DZWCZCSWZJAAHP-UONOGXRCSA-N 1 2 349.866 1.448 20 30 EDEDLO C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1c1ccc(Cl)c(C#N)n1 ZINC000374153071 157167102 /nfs/dbraw/zinc/16/71/02/157167102.db2.gz DZWCZCSWZJAAHP-UONOGXRCSA-N 1 2 349.866 1.448 20 30 EDEDLO C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000352261195 162081359 /nfs/dbraw/zinc/08/13/59/162081359.db2.gz LWXLRSQPWKKFME-ZIAGYGMSSA-N 1 2 345.418 1.954 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000352315644 162112584 /nfs/dbraw/zinc/11/25/84/162112584.db2.gz XJQVQWXHKVPWNM-UHFFFAOYSA-N 1 2 343.412 1.296 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](SCC[NH+]3CCOCC3)C2=O)cc1 ZINC000160017125 225319537 /nfs/dbraw/zinc/31/95/37/225319537.db2.gz XRPGSQMYVOKOJQ-INIZCTEOSA-N 1 2 331.441 1.729 20 30 EDEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCN1Cc1ccccc1 ZINC000161660510 225668255 /nfs/dbraw/zinc/66/82/55/225668255.db2.gz KAAHUBIRTHRKQM-MSOLQXFVSA-N 1 2 349.438 1.682 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(C#N)CC1)c1ccc(F)cc1 ZINC000164441557 226074289 /nfs/dbraw/zinc/07/42/89/226074289.db2.gz QCOZCVHQMLTVCZ-AWEZNQCLSA-N 1 2 348.403 1.872 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274165630 269827544 /nfs/dbraw/zinc/82/75/44/269827544.db2.gz HFXPPMMTSKEMHO-BLLLJJGKSA-N 1 2 341.415 1.421 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274165630 269827545 /nfs/dbraw/zinc/82/75/45/269827545.db2.gz HFXPPMMTSKEMHO-BLLLJJGKSA-N 1 2 341.415 1.421 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000534430383 270016208 /nfs/dbraw/zinc/01/62/08/270016208.db2.gz OQGNJHVKHRHDHU-AWEZNQCLSA-N 1 2 329.400 1.835 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000534430383 270016209 /nfs/dbraw/zinc/01/62/09/270016209.db2.gz OQGNJHVKHRHDHU-AWEZNQCLSA-N 1 2 329.400 1.835 20 30 EDEDLO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](C)[S@@]1=O ZINC000285798970 266380220 /nfs/dbraw/zinc/38/02/20/266380220.db2.gz FRYRWBUVEXDVDT-QKCVQASDSA-N 1 2 336.457 1.529 20 30 EDEDLO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H](C)[S@@]1=O ZINC000285798970 266380223 /nfs/dbraw/zinc/38/02/23/266380223.db2.gz FRYRWBUVEXDVDT-QKCVQASDSA-N 1 2 336.457 1.529 20 30 EDEDLO C[C@@H]1CCOCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000367666423 267024760 /nfs/dbraw/zinc/02/47/60/267024760.db2.gz VXJDSXGIAVCJMC-CQSZACIVSA-N 1 2 339.399 1.793 20 30 EDEDLO C[C@@H]1CCOCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000367666423 267024761 /nfs/dbraw/zinc/02/47/61/267024761.db2.gz VXJDSXGIAVCJMC-CQSZACIVSA-N 1 2 339.399 1.793 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292375503 267112815 /nfs/dbraw/zinc/11/28/15/267112815.db2.gz YWNSLTANUYBYKZ-YJBOKZPZSA-N 1 2 339.399 1.215 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292375503 267112818 /nfs/dbraw/zinc/11/28/18/267112818.db2.gz YWNSLTANUYBYKZ-YJBOKZPZSA-N 1 2 339.399 1.215 20 30 EDEDLO C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000293018887 267176971 /nfs/dbraw/zinc/17/69/71/267176971.db2.gz HVHQWKJZJFUXTQ-KBPBESRZSA-N 1 2 330.432 1.463 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)S1 ZINC000285476366 267242448 /nfs/dbraw/zinc/24/24/48/267242448.db2.gz BDOWTMXWBHNOHD-NSHDSACASA-N 1 2 332.404 1.946 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nc2ccccn2c1C#N ZINC000528129862 267329954 /nfs/dbraw/zinc/32/99/54/267329954.db2.gz HFTIYJWZOVAIQE-SFHVURJKSA-N 1 2 341.415 1.234 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nc2ccccn2c1C#N ZINC000528129862 267329958 /nfs/dbraw/zinc/32/99/58/267329958.db2.gz HFTIYJWZOVAIQE-SFHVURJKSA-N 1 2 341.415 1.234 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000457470009 268095996 /nfs/dbraw/zinc/09/59/96/268095996.db2.gz YIHNQXKSMKZOOD-UHFFFAOYSA-N 1 2 339.399 1.825 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000186573859 276089667 /nfs/dbraw/zinc/08/96/67/276089667.db2.gz BFZOQJRTOGFRIP-UHFFFAOYSA-N 1 2 345.403 1.457 20 30 EDEDLO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000331224255 288956597 /nfs/dbraw/zinc/95/65/97/288956597.db2.gz BFOGOSADJPOBRK-UHFFFAOYSA-N 1 2 341.358 1.528 20 30 EDEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495703119 289235477 /nfs/dbraw/zinc/23/54/77/289235477.db2.gz ZPKCEIUNOQHSLX-KGLIPLIRSA-N 1 2 336.436 1.300 20 30 EDEDLO Cc1nc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1C#N ZINC000171865655 293161621 /nfs/dbraw/zinc/16/16/21/293161621.db2.gz LWPTVMMRRMSBOM-INIZCTEOSA-N 1 2 328.416 1.589 20 30 EDEDLO COC[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC(C)(C)O1 ZINC000330539810 293232143 /nfs/dbraw/zinc/23/21/43/293232143.db2.gz RNBKUGLIKCJVNJ-OAHLLOKOSA-N 1 2 337.464 1.797 20 30 EDEDLO COC[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC(C)(C)O1 ZINC000330539810 293232149 /nfs/dbraw/zinc/23/21/49/293232149.db2.gz RNBKUGLIKCJVNJ-OAHLLOKOSA-N 1 2 337.464 1.797 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@H](C#N)C1 ZINC000493515204 447337094 /nfs/dbraw/zinc/33/70/94/447337094.db2.gz FDYJYOVOWCOFEU-ZYOFXKKJSA-N 1 2 331.376 1.394 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000456266586 447352868 /nfs/dbraw/zinc/35/28/68/447352868.db2.gz PWXBKNHARGKXFD-PMPSAXMXSA-N 1 2 348.447 1.333 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000456266586 447352874 /nfs/dbraw/zinc/35/28/74/447352874.db2.gz PWXBKNHARGKXFD-PMPSAXMXSA-N 1 2 348.447 1.333 20 30 EDEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC000546653652 306094836 /nfs/dbraw/zinc/09/48/36/306094836.db2.gz WJYNPJNJYBEFOS-IYBDPMFKSA-N 1 2 341.459 1.580 20 30 EDEDLO CC(C)CN(C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1)C(C)C ZINC000555650374 306204632 /nfs/dbraw/zinc/20/46/32/306204632.db2.gz FBIRXEAUVRACCV-UHFFFAOYSA-N 1 2 343.475 1.968 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)N3CCC(C#N)CC3)c[nH+]2)CCO1 ZINC000057993196 441147827 /nfs/dbraw/zinc/14/78/27/441147827.db2.gz YMMDQINLNJHWKC-AWEZNQCLSA-N 1 2 343.431 1.752 20 30 EDEDLO CC(C)CN(C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1)C1CC1 ZINC000101543805 441157227 /nfs/dbraw/zinc/15/72/27/441157227.db2.gz FHWMILQFZPJZJJ-UHFFFAOYSA-N 1 2 341.459 1.722 20 30 EDEDLO CCCCOCCNC(=O)CO[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000060454659 441243849 /nfs/dbraw/zinc/24/38/49/441243849.db2.gz JESCAVRFGNSQPD-UHFFFAOYSA-N 1 2 337.420 1.459 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(O)CC1 ZINC000073619373 441333521 /nfs/dbraw/zinc/33/35/21/441333521.db2.gz GRCBFPONLPOBKP-AWEZNQCLSA-N 1 2 331.416 1.787 20 30 EDEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073647702 441338329 /nfs/dbraw/zinc/33/83/29/441338329.db2.gz ZYHOWOPKKGLUQE-OAHLLOKOSA-N 1 2 329.448 1.626 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](Cc2ccccc2F)C2CC2)CC1 ZINC000081646052 441299156 /nfs/dbraw/zinc/29/91/56/441299156.db2.gz XSXKNHKURYTETP-UHFFFAOYSA-N 1 2 329.419 1.568 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](Cc2ccccc2F)C2CC2)CC1 ZINC000081646052 441299161 /nfs/dbraw/zinc/29/91/61/441299161.db2.gz XSXKNHKURYTETP-UHFFFAOYSA-N 1 2 329.419 1.568 20 30 EDEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000051422962 441409993 /nfs/dbraw/zinc/40/99/93/441409993.db2.gz HZGLNQLJCBCASB-MRXNPFEDSA-N 1 2 344.459 1.469 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cnccn2)CC1 ZINC000027631639 441410025 /nfs/dbraw/zinc/41/00/25/441410025.db2.gz PDFGRLZRHJEAAP-WMLDXEAASA-N 1 2 330.436 1.042 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000051426383 441410665 /nfs/dbraw/zinc/41/06/65/441410665.db2.gz LIGWVOIIEDOCRG-INIZCTEOSA-N 1 2 344.459 1.825 20 30 EDEDLO C=CC[NH+](CC=C)CC(=O)N(CCC(N)=O)c1ccccc1OC ZINC000051766901 441423150 /nfs/dbraw/zinc/42/31/50/441423150.db2.gz MBVDIKAENGSDAB-UHFFFAOYSA-N 1 2 331.416 1.578 20 30 EDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000028659097 441435470 /nfs/dbraw/zinc/43/54/70/441435470.db2.gz UBRWMGJHHSKSME-INIZCTEOSA-N 1 2 328.416 1.486 20 30 EDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000028659097 441435473 /nfs/dbraw/zinc/43/54/73/441435473.db2.gz UBRWMGJHHSKSME-INIZCTEOSA-N 1 2 328.416 1.486 20 30 EDEDLO Cc1cccc(N2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1 ZINC000027383884 441401411 /nfs/dbraw/zinc/40/14/11/441401411.db2.gz WZFWOUNZWAEKAC-IBGZPJMESA-N 1 2 326.444 1.926 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(Cc3csc(C)n3)oc2=S)CC1 ZINC000074171315 441403332 /nfs/dbraw/zinc/40/33/32/441403332.db2.gz FDRMGJGKPRLTEU-UHFFFAOYSA-N 1 2 349.485 1.770 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000052892906 441484991 /nfs/dbraw/zinc/48/49/91/441484991.db2.gz XUOZMQVBUGIIFC-INIZCTEOSA-N 1 2 344.415 1.282 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000052892906 441484993 /nfs/dbraw/zinc/48/49/93/441484993.db2.gz XUOZMQVBUGIIFC-INIZCTEOSA-N 1 2 344.415 1.282 20 30 EDEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444733 441458816 /nfs/dbraw/zinc/45/88/16/441458816.db2.gz LIJMZLLKGGHOEU-NVXWUHKLSA-N 1 2 341.459 1.770 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450392 441460250 /nfs/dbraw/zinc/46/02/50/441460250.db2.gz ZNRLICFVEXADQF-INIZCTEOSA-N 1 2 341.459 1.888 20 30 EDEDLO COC(=O)c1cc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)oc1C ZINC000053815618 441544218 /nfs/dbraw/zinc/54/42/18/441544218.db2.gz HRPZADQYSQQTOS-KRWDZBQOSA-N 1 2 335.404 1.861 20 30 EDEDLO COC(=O)c1cc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)oc1C ZINC000053815618 441544219 /nfs/dbraw/zinc/54/42/19/441544219.db2.gz HRPZADQYSQQTOS-KRWDZBQOSA-N 1 2 335.404 1.861 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000067117932 441606391 /nfs/dbraw/zinc/60/63/91/441606391.db2.gz GBUSMSXSFPLJON-HNNXBMFYSA-N 1 2 337.489 1.227 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000067117932 441606396 /nfs/dbraw/zinc/60/63/96/441606396.db2.gz GBUSMSXSFPLJON-HNNXBMFYSA-N 1 2 337.489 1.227 20 30 EDEDLO CNC(=O)[C@H](C)C[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091071822 441656266 /nfs/dbraw/zinc/65/62/66/441656266.db2.gz YNDZNHJPGLPQNV-CYBMUJFWSA-N 1 2 325.416 1.866 20 30 EDEDLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091071822 441656270 /nfs/dbraw/zinc/65/62/70/441656270.db2.gz YNDZNHJPGLPQNV-CYBMUJFWSA-N 1 2 325.416 1.866 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000091077509 441656997 /nfs/dbraw/zinc/65/69/97/441656997.db2.gz ZSROBRQSEYTBSH-SFHVURJKSA-N 1 2 335.411 1.297 20 30 EDEDLO C=CC[N@@H+](Cc1cc(OC)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361257 441793974 /nfs/dbraw/zinc/79/39/74/441793974.db2.gz AQVLNOFEGSFNAH-CQSZACIVSA-N 1 2 325.430 1.879 20 30 EDEDLO C=CC[N@H+](Cc1cc(OC)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361257 441793978 /nfs/dbraw/zinc/79/39/78/441793978.db2.gz AQVLNOFEGSFNAH-CQSZACIVSA-N 1 2 325.430 1.879 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2ccccc2F)CC1 ZINC000092617648 441813969 /nfs/dbraw/zinc/81/39/69/441813969.db2.gz DCZRJJFOLQLNJH-GOSISDBHSA-N 1 2 346.450 1.950 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2ccccc2F)CC1 ZINC000092617648 441813976 /nfs/dbraw/zinc/81/39/76/441813976.db2.gz DCZRJJFOLQLNJH-GOSISDBHSA-N 1 2 346.450 1.950 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000078803482 441973790 /nfs/dbraw/zinc/97/37/90/441973790.db2.gz AWFPRKGQRBWXSV-CQSZACIVSA-N 1 2 341.415 1.704 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000078803482 441973795 /nfs/dbraw/zinc/97/37/95/441973795.db2.gz AWFPRKGQRBWXSV-CQSZACIVSA-N 1 2 341.415 1.704 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161279349 441981063 /nfs/dbraw/zinc/98/10/63/441981063.db2.gz AYOMDGQMPJXQFI-KOLCDFICSA-N 1 2 337.342 1.022 20 30 EDEDLO CC(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000126232283 442090803 /nfs/dbraw/zinc/09/08/03/442090803.db2.gz SOJRJSRXYNINTD-CYBMUJFWSA-N 1 2 348.834 1.998 20 30 EDEDLO CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000126232283 442090805 /nfs/dbraw/zinc/09/08/05/442090805.db2.gz SOJRJSRXYNINTD-CYBMUJFWSA-N 1 2 348.834 1.998 20 30 EDEDLO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000120443260 442073670 /nfs/dbraw/zinc/07/36/70/442073670.db2.gz GGCGFUFQVPJDJU-MRXNPFEDSA-N 1 2 338.860 1.848 20 30 EDEDLO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000120443260 442073671 /nfs/dbraw/zinc/07/36/71/442073671.db2.gz GGCGFUFQVPJDJU-MRXNPFEDSA-N 1 2 338.860 1.848 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)CCCCC)CC1 ZINC000080061777 442111195 /nfs/dbraw/zinc/11/11/95/442111195.db2.gz FIOGGPDKWDWYHS-KRWDZBQOSA-N 1 2 335.492 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)CCCCC)CC1 ZINC000080061777 442111197 /nfs/dbraw/zinc/11/11/97/442111197.db2.gz FIOGGPDKWDWYHS-KRWDZBQOSA-N 1 2 335.492 1.877 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000151739692 442114107 /nfs/dbraw/zinc/11/41/07/442114107.db2.gz SGUGRGDWBVKXHD-WDEREUQCSA-N 1 2 325.434 1.970 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000176213524 442192419 /nfs/dbraw/zinc/19/24/19/442192419.db2.gz ATYSHSHPFRIGBV-OAHLLOKOSA-N 1 2 344.440 1.935 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000176213524 442192425 /nfs/dbraw/zinc/19/24/25/442192425.db2.gz ATYSHSHPFRIGBV-OAHLLOKOSA-N 1 2 344.440 1.935 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c(C)[nH+]1 ZINC000176609787 442239896 /nfs/dbraw/zinc/23/98/96/442239896.db2.gz HFSDIPHJLOSFEP-UHFFFAOYSA-N 1 2 326.331 1.964 20 30 EDEDLO CCOC(=O)N1CCC(NC(=O)C[N@H+](CCC#N)CC2CC2)CC1 ZINC000177030017 442288172 /nfs/dbraw/zinc/28/81/72/442288172.db2.gz NRMNCDFJNWVZFA-UHFFFAOYSA-N 1 2 336.436 1.349 20 30 EDEDLO CCOC(=O)N1CCC(NC(=O)C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000177030017 442288174 /nfs/dbraw/zinc/28/81/74/442288174.db2.gz NRMNCDFJNWVZFA-UHFFFAOYSA-N 1 2 336.436 1.349 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000177264169 442321796 /nfs/dbraw/zinc/32/17/96/442321796.db2.gz TVHIHRZYGCUELX-VKJFTORMSA-N 1 2 342.443 1.538 20 30 EDEDLO CC[C@@](C)(O)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000153988924 442315186 /nfs/dbraw/zinc/31/51/86/442315186.db2.gz NRYUIUDADXZFDU-GOSISDBHSA-N 1 2 328.416 1.807 20 30 EDEDLO CC#CCC[NH+]1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000155088425 442374863 /nfs/dbraw/zinc/37/48/63/442374863.db2.gz LFNLMCPGJHQYJP-UHFFFAOYSA-N 1 2 327.494 1.527 20 30 EDEDLO CCCn1nc(C)c(CN(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000154787591 442357169 /nfs/dbraw/zinc/35/71/69/442357169.db2.gz VHLWZRNREPQRRF-UHFFFAOYSA-N 1 2 333.480 1.958 20 30 EDEDLO COC(=O)c1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)o1 ZINC000155629167 442414568 /nfs/dbraw/zinc/41/45/68/442414568.db2.gz MRTBEQTUHMHYSM-GFCCVEGCSA-N 1 2 341.371 1.439 20 30 EDEDLO COC(=O)c1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)o1 ZINC000155629167 442414569 /nfs/dbraw/zinc/41/45/69/442414569.db2.gz MRTBEQTUHMHYSM-GFCCVEGCSA-N 1 2 341.371 1.439 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178435371 442433824 /nfs/dbraw/zinc/43/38/24/442433824.db2.gz AAUSVJCSBHGQED-HXOBKFHXSA-N 1 2 335.473 1.910 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178435371 442433825 /nfs/dbraw/zinc/43/38/25/442433825.db2.gz AAUSVJCSBHGQED-HXOBKFHXSA-N 1 2 335.473 1.910 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178461346 442435870 /nfs/dbraw/zinc/43/58/70/442435870.db2.gz SAPNJGTUJHACKD-UHFFFAOYSA-N 1 2 344.415 1.032 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178461346 442435874 /nfs/dbraw/zinc/43/58/74/442435874.db2.gz SAPNJGTUJHACKD-UHFFFAOYSA-N 1 2 344.415 1.032 20 30 EDEDLO Cc1cc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)n2ncnc2n1 ZINC000133949076 442442347 /nfs/dbraw/zinc/44/23/47/442442347.db2.gz VBFVGMXAPLDUDQ-UHFFFAOYSA-N 1 2 339.428 1.688 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000186267121 442501066 /nfs/dbraw/zinc/50/10/66/442501066.db2.gz ALOVHYKCRFXOBN-GFCCVEGCSA-N 1 2 327.363 1.904 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000186267121 442501073 /nfs/dbraw/zinc/50/10/73/442501073.db2.gz ALOVHYKCRFXOBN-GFCCVEGCSA-N 1 2 327.363 1.904 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000157597750 442595856 /nfs/dbraw/zinc/59/58/56/442595856.db2.gz ITXGQPJEDBVBTA-UHFFFAOYSA-N 1 2 345.403 1.457 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157199474 442561040 /nfs/dbraw/zinc/56/10/40/442561040.db2.gz TTWYEISPPJFQHT-CXAGYDPISA-N 1 2 338.452 1.640 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157199474 442561043 /nfs/dbraw/zinc/56/10/43/442561043.db2.gz TTWYEISPPJFQHT-CXAGYDPISA-N 1 2 338.452 1.640 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135639213 442621229 /nfs/dbraw/zinc/62/12/29/442621229.db2.gz RCUONWOVICHWOS-CQSZACIVSA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135639213 442621232 /nfs/dbraw/zinc/62/12/32/442621232.db2.gz RCUONWOVICHWOS-CQSZACIVSA-N 1 2 329.400 1.767 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000180577189 442625319 /nfs/dbraw/zinc/62/53/19/442625319.db2.gz QOIIKLZYFALYHY-CVEARBPZSA-N 1 2 336.480 1.178 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000180577189 442625326 /nfs/dbraw/zinc/62/53/26/442625326.db2.gz QOIIKLZYFALYHY-CVEARBPZSA-N 1 2 336.480 1.178 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000192823965 442690070 /nfs/dbraw/zinc/69/00/70/442690070.db2.gz BFGIQEMMXYEOAM-MRXNPFEDSA-N 1 2 344.459 1.653 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000188087556 442710232 /nfs/dbraw/zinc/71/02/32/442710232.db2.gz GLLNMWNNLJBANV-UHFFFAOYSA-N 1 2 337.445 1.256 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000188087556 442710235 /nfs/dbraw/zinc/71/02/35/442710235.db2.gz GLLNMWNNLJBANV-UHFFFAOYSA-N 1 2 337.445 1.256 20 30 EDEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 ZINC000181690373 442710275 /nfs/dbraw/zinc/71/02/75/442710275.db2.gz QCEATZOWEXZRBM-CYBMUJFWSA-N 1 2 330.388 1.080 20 30 EDEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc([S@@](C)=O)cc1 ZINC000246831887 442816491 /nfs/dbraw/zinc/81/64/91/442816491.db2.gz BDRXGPDZYDXOPO-GAJHUEQPSA-N 1 2 333.457 1.664 20 30 EDEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc([S@@](C)=O)cc1 ZINC000246831887 442816493 /nfs/dbraw/zinc/81/64/93/442816493.db2.gz BDRXGPDZYDXOPO-GAJHUEQPSA-N 1 2 333.457 1.664 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000183217019 442905286 /nfs/dbraw/zinc/90/52/86/442905286.db2.gz ONWKIWQVTFMEAO-AWEZNQCLSA-N 1 2 328.372 1.079 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1cccc(O)c1 ZINC000183520049 442937666 /nfs/dbraw/zinc/93/76/66/442937666.db2.gz DNFLVSCNOZBYMR-AATRIKPKSA-N 1 2 329.400 1.480 20 30 EDEDLO COCCO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000189694604 442995002 /nfs/dbraw/zinc/99/50/02/442995002.db2.gz RDMYDKYVYDZXLN-HNNXBMFYSA-N 1 2 338.429 1.069 20 30 EDEDLO COCCO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000189694604 442995005 /nfs/dbraw/zinc/99/50/05/442995005.db2.gz RDMYDKYVYDZXLN-HNNXBMFYSA-N 1 2 338.429 1.069 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266239676 443070197 /nfs/dbraw/zinc/07/01/97/443070197.db2.gz VYFZECJCPDYRCJ-MRXNPFEDSA-N 1 2 349.456 1.210 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000268801190 443112716 /nfs/dbraw/zinc/11/27/16/443112716.db2.gz YSRPKIQFGXBVDL-OAHLLOKOSA-N 1 2 343.431 1.128 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000185255184 443170902 /nfs/dbraw/zinc/17/09/02/443170902.db2.gz VZNYEDLHKAHPEI-NSHDSACASA-N 1 2 335.408 1.780 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000185574268 443221758 /nfs/dbraw/zinc/22/17/58/443221758.db2.gz QUOVQUUFBUTWLM-MSOLQXFVSA-N 1 2 347.459 1.605 20 30 EDEDLO Cc1cc2cn[nH]c2c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000263866058 443240772 /nfs/dbraw/zinc/24/07/72/443240772.db2.gz YPAGINNEKDYXIE-UHFFFAOYSA-N 1 2 341.415 1.559 20 30 EDEDLO Cc1cc2c[nH]nc2c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000263866058 443240776 /nfs/dbraw/zinc/24/07/76/443240776.db2.gz YPAGINNEKDYXIE-UHFFFAOYSA-N 1 2 341.415 1.559 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185463253 443203588 /nfs/dbraw/zinc/20/35/88/443203588.db2.gz MQGKLRRQZAGGNN-KSSFIOAISA-N 1 2 340.431 1.972 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000272715925 443419728 /nfs/dbraw/zinc/41/97/28/443419728.db2.gz LSOGIRBZGJYOQL-UHFFFAOYSA-N 1 2 348.363 1.070 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](NC(N)=O)C2)cc1 ZINC000270614022 443476127 /nfs/dbraw/zinc/47/61/27/443476127.db2.gz FCMLQGWFRQIFNG-LSDHHAIUSA-N 1 2 343.431 1.373 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](NC(N)=O)C2)cc1 ZINC000270614022 443476133 /nfs/dbraw/zinc/47/61/33/443476133.db2.gz FCMLQGWFRQIFNG-LSDHHAIUSA-N 1 2 343.431 1.373 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000272864026 443471768 /nfs/dbraw/zinc/47/17/68/443471768.db2.gz REPCOUOKFFYZPH-ZDUSSCGKSA-N 1 2 345.490 1.251 20 30 EDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(c2ncccc2C#N)CCO1 ZINC000279055931 443503760 /nfs/dbraw/zinc/50/37/60/443503760.db2.gz AMIUOFVIJAVMGM-HNNXBMFYSA-N 1 2 346.431 1.432 20 30 EDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(c2ncccc2C#N)CCO1 ZINC000279055931 443503764 /nfs/dbraw/zinc/50/37/64/443503764.db2.gz AMIUOFVIJAVMGM-HNNXBMFYSA-N 1 2 346.431 1.432 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000279198399 443532122 /nfs/dbraw/zinc/53/21/22/443532122.db2.gz JSLHFKBCAWFMLP-CQSZACIVSA-N 1 2 326.356 1.274 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000279198399 443532124 /nfs/dbraw/zinc/53/21/24/443532124.db2.gz JSLHFKBCAWFMLP-CQSZACIVSA-N 1 2 326.356 1.274 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000273490721 443576970 /nfs/dbraw/zinc/57/69/70/443576970.db2.gz SJNNQUWJXGPZDM-GJZGRUSLSA-N 1 2 332.379 1.885 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000279256507 443541716 /nfs/dbraw/zinc/54/17/16/443541716.db2.gz ALEQDZJNDGRIFY-HOTGVXAUSA-N 1 2 333.480 1.522 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000279256507 443541720 /nfs/dbraw/zinc/54/17/20/443541720.db2.gz ALEQDZJNDGRIFY-HOTGVXAUSA-N 1 2 333.480 1.522 20 30 EDEDLO N#CCCCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000273151233 443552294 /nfs/dbraw/zinc/55/22/94/443552294.db2.gz LZTJFUUUAIODLE-UHFFFAOYSA-N 1 2 346.431 1.501 20 30 EDEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283321219 443600752 /nfs/dbraw/zinc/60/07/52/443600752.db2.gz QVTVABHSNMJWTL-UHFFFAOYSA-N 1 2 340.427 1.994 20 30 EDEDLO C=CCNC(=O)CNc1cc(N[C@H]2CCCO[C@@H]2C(C)C)[nH+]cn1 ZINC000275806788 443643750 /nfs/dbraw/zinc/64/37/50/443643750.db2.gz VASYICAJPYUOHJ-SUMWQHHRSA-N 1 2 333.436 1.806 20 30 EDEDLO C=CCNC(=O)CNc1cc(N[C@H]2CCCO[C@@H]2C(C)C)nc[nH+]1 ZINC000275806788 443643752 /nfs/dbraw/zinc/64/37/52/443643752.db2.gz VASYICAJPYUOHJ-SUMWQHHRSA-N 1 2 333.436 1.806 20 30 EDEDLO NC(=NOCc1ccc(F)cn1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000276030057 443649418 /nfs/dbraw/zinc/64/94/18/443649418.db2.gz DAFTUYJBLVPYBQ-UHFFFAOYSA-N 1 2 344.390 1.890 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000276085380 443650932 /nfs/dbraw/zinc/65/09/32/443650932.db2.gz XKJQFGQIBZZNKB-RDTXWAMCSA-N 1 2 347.463 1.320 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000276085380 443650936 /nfs/dbraw/zinc/65/09/36/443650936.db2.gz XKJQFGQIBZZNKB-RDTXWAMCSA-N 1 2 347.463 1.320 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)CCN1C ZINC000280130883 443670110 /nfs/dbraw/zinc/67/01/10/443670110.db2.gz BEILUAQKAFFQFD-ZDUSSCGKSA-N 1 2 327.348 1.088 20 30 EDEDLO CC(C)Nc1nc(NCc2ccc(C#N)cc2)nc(NCCO)[nH+]1 ZINC000283771905 443714422 /nfs/dbraw/zinc/71/44/22/443714422.db2.gz OWVXDLDFMLDMEL-UHFFFAOYSA-N 1 2 327.392 1.580 20 30 EDEDLO CC(C)Nc1nc(NCCO)[nH+]c(NCc2ccc(C#N)cc2)n1 ZINC000283771905 443714426 /nfs/dbraw/zinc/71/44/26/443714426.db2.gz OWVXDLDFMLDMEL-UHFFFAOYSA-N 1 2 327.392 1.580 20 30 EDEDLO CC(C)Nc1nc(NCCO)nc(NCc2ccc(C#N)cc2)[nH+]1 ZINC000283771905 443714430 /nfs/dbraw/zinc/71/44/30/443714430.db2.gz OWVXDLDFMLDMEL-UHFFFAOYSA-N 1 2 327.392 1.580 20 30 EDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000298255620 443732029 /nfs/dbraw/zinc/73/20/29/443732029.db2.gz UTENHIUAPBRMDJ-HNNXBMFYSA-N 1 2 345.418 1.340 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000298255620 443732033 /nfs/dbraw/zinc/73/20/33/443732033.db2.gz UTENHIUAPBRMDJ-HNNXBMFYSA-N 1 2 345.418 1.340 20 30 EDEDLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292312112 443789431 /nfs/dbraw/zinc/78/94/31/443789431.db2.gz VJGYTISFXITSHR-GXTWGEPZSA-N 1 2 338.371 1.224 20 30 EDEDLO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292312112 443789433 /nfs/dbraw/zinc/78/94/33/443789433.db2.gz VJGYTISFXITSHR-GXTWGEPZSA-N 1 2 338.371 1.224 20 30 EDEDLO C=CCOc1ccc(CNC(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000287844292 443758629 /nfs/dbraw/zinc/75/86/29/443758629.db2.gz CXAFMPDAYAYOMR-UHFFFAOYSA-N 1 2 333.432 1.725 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000291687709 443764966 /nfs/dbraw/zinc/76/49/66/443764966.db2.gz SDOIIUOZKXTWCD-ZFWWWQNUSA-N 1 2 340.387 1.401 20 30 EDEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000284136073 443767637 /nfs/dbraw/zinc/76/76/37/443767637.db2.gz YCWOTUUMLQYWMH-HNNXBMFYSA-N 1 2 332.448 1.983 20 30 EDEDLO CN1CCO[C@H]2CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000284335305 443772781 /nfs/dbraw/zinc/77/27/81/443772781.db2.gz BURVTMQBUGYKIK-MSOLQXFVSA-N 1 2 342.443 1.338 20 30 EDEDLO CN1CCO[C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000284335305 443772784 /nfs/dbraw/zinc/77/27/84/443772784.db2.gz BURVTMQBUGYKIK-MSOLQXFVSA-N 1 2 342.443 1.338 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000284335305 443772788 /nfs/dbraw/zinc/77/27/88/443772788.db2.gz BURVTMQBUGYKIK-MSOLQXFVSA-N 1 2 342.443 1.338 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000284335305 443772792 /nfs/dbraw/zinc/77/27/92/443772792.db2.gz BURVTMQBUGYKIK-MSOLQXFVSA-N 1 2 342.443 1.338 20 30 EDEDLO C[C@@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000284552491 443779161 /nfs/dbraw/zinc/77/91/61/443779161.db2.gz WAJFVNTUDWDRMT-ZWNOBZJWSA-N 1 2 325.796 1.985 20 30 EDEDLO Cc1cccc(C)c1OCCNC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284621700 443782452 /nfs/dbraw/zinc/78/24/52/443782452.db2.gz ZREXLRHKSNIBIU-CQSZACIVSA-N 1 2 335.404 1.266 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1=O ZINC000281187823 443842439 /nfs/dbraw/zinc/84/24/39/443842439.db2.gz BJPLQTCYAWWBTH-KRWDZBQOSA-N 1 2 340.427 1.652 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1=O ZINC000281187823 443842443 /nfs/dbraw/zinc/84/24/43/443842443.db2.gz BJPLQTCYAWWBTH-KRWDZBQOSA-N 1 2 340.427 1.652 20 30 EDEDLO CS(=O)(=O)NCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000285378285 443961526 /nfs/dbraw/zinc/96/15/26/443961526.db2.gz GLAJUBYZENIEIX-UHFFFAOYSA-N 1 2 325.409 1.459 20 30 EDEDLO Cc1noc([C@]2(O)CC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000277312541 443961585 /nfs/dbraw/zinc/96/15/85/443961585.db2.gz FGEAVPMWSLVACG-DIFFPNOSSA-N 1 2 341.371 1.170 20 30 EDEDLO Cc1noc([C@]2(O)CC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000277312541 443961588 /nfs/dbraw/zinc/96/15/88/443961588.db2.gz FGEAVPMWSLVACG-DIFFPNOSSA-N 1 2 341.371 1.170 20 30 EDEDLO C[C@H]1COCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277430002 443986727 /nfs/dbraw/zinc/98/67/27/443986727.db2.gz JMQFHUGWAZFDGC-MAUKXSAKSA-N 1 2 342.443 1.810 20 30 EDEDLO Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)ccc1C#N ZINC000277967796 444070759 /nfs/dbraw/zinc/07/07/59/444070759.db2.gz LFAFIYPXMYRFKL-PBHICJAKSA-N 1 2 349.456 1.208 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1C#N ZINC000570140497 321339018 /nfs/dbraw/zinc/33/90/18/321339018.db2.gz OVMWBRASQNSYLK-ACJLOTCBSA-N 1 2 330.384 1.725 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1C#N ZINC000570140497 321339020 /nfs/dbraw/zinc/33/90/20/321339020.db2.gz OVMWBRASQNSYLK-ACJLOTCBSA-N 1 2 330.384 1.725 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1C#N ZINC000570140501 321339104 /nfs/dbraw/zinc/33/91/04/321339104.db2.gz OVMWBRASQNSYLK-UGSOOPFHSA-N 1 2 330.384 1.725 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1C#N ZINC000570140501 321339106 /nfs/dbraw/zinc/33/91/06/321339106.db2.gz OVMWBRASQNSYLK-UGSOOPFHSA-N 1 2 330.384 1.725 20 30 EDEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1COC[C@H]1O ZINC000285825399 444120425 /nfs/dbraw/zinc/12/04/25/444120425.db2.gz GYGUWDPCGRYMOJ-SJLPKXTDSA-N 1 2 327.384 1.429 20 30 EDEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1COC[C@H]1O ZINC000285825399 444120431 /nfs/dbraw/zinc/12/04/31/444120431.db2.gz GYGUWDPCGRYMOJ-SJLPKXTDSA-N 1 2 327.384 1.429 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000294705430 444139951 /nfs/dbraw/zinc/13/99/51/444139951.db2.gz LLCBMXKMSIVRKO-GFCCVEGCSA-N 1 2 338.205 1.381 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000294705430 444139954 /nfs/dbraw/zinc/13/99/54/444139954.db2.gz LLCBMXKMSIVRKO-GFCCVEGCSA-N 1 2 338.205 1.381 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccccc1 ZINC000285892416 444143179 /nfs/dbraw/zinc/14/31/79/444143179.db2.gz ZGTLCFNWGRBMDT-UHFFFAOYSA-N 1 2 328.412 1.533 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccccc1 ZINC000285892416 444143182 /nfs/dbraw/zinc/14/31/82/444143182.db2.gz ZGTLCFNWGRBMDT-UHFFFAOYSA-N 1 2 328.412 1.533 20 30 EDEDLO C#CCCOc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000295154302 444167517 /nfs/dbraw/zinc/16/75/17/444167517.db2.gz AMNSINQQSHSRRM-ROUUACIJSA-N 1 2 328.412 1.634 20 30 EDEDLO C#CCCOc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000295154302 444167520 /nfs/dbraw/zinc/16/75/20/444167520.db2.gz AMNSINQQSHSRRM-ROUUACIJSA-N 1 2 328.412 1.634 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000299709988 444121783 /nfs/dbraw/zinc/12/17/83/444121783.db2.gz PAOOAGGXBFTTOX-UHFFFAOYSA-N 1 2 330.388 1.442 20 30 EDEDLO Cc1ccc(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)nc1C#N ZINC000302725177 444221220 /nfs/dbraw/zinc/22/12/20/444221220.db2.gz RLYDAQNEMPZANI-MRXNPFEDSA-N 1 2 341.459 1.785 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCOC[C@@H](O)C1 ZINC000295608952 444190440 /nfs/dbraw/zinc/19/04/40/444190440.db2.gz NQGDKRCJVSVWRV-GJZGRUSLSA-N 1 2 347.415 1.023 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCOC[C@@H](O)C1 ZINC000295608952 444190441 /nfs/dbraw/zinc/19/04/41/444190441.db2.gz NQGDKRCJVSVWRV-GJZGRUSLSA-N 1 2 347.415 1.023 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(C)(C)CO ZINC000295839035 444193774 /nfs/dbraw/zinc/19/37/74/444193774.db2.gz WDESDVAIIVKFBJ-CQSZACIVSA-N 1 2 348.428 1.330 20 30 EDEDLO C#CCOc1ccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000297130982 444275591 /nfs/dbraw/zinc/27/55/91/444275591.db2.gz SGPWPCLADCTONE-QZTJIDSGSA-N 1 2 343.427 1.313 20 30 EDEDLO C#CCOc1ccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000297130982 444275593 /nfs/dbraw/zinc/27/55/93/444275593.db2.gz SGPWPCLADCTONE-QZTJIDSGSA-N 1 2 343.427 1.313 20 30 EDEDLO CCN1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330991323 444349015 /nfs/dbraw/zinc/34/90/15/444349015.db2.gz MXFGQXZXBWGLDD-VKJFTORMSA-N 1 2 346.479 1.531 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN([C@H](C)C(=O)NC3CCCC3)CC2)C1=O ZINC000328777440 444349679 /nfs/dbraw/zinc/34/96/79/444349679.db2.gz IKIWJHBLIDCMQB-WBVHZDCISA-N 1 2 348.491 1.679 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(S(=O)(=O)CC3(C#N)CCCCC3)C[C@H]21 ZINC000328828704 444366619 /nfs/dbraw/zinc/36/66/19/444366619.db2.gz IZZUZWXGOREZLF-CABCVRRESA-N 1 2 341.477 1.195 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(S(=O)(=O)CC3(C#N)CCCCC3)C[C@H]21 ZINC000328828704 444366622 /nfs/dbraw/zinc/36/66/22/444366622.db2.gz IZZUZWXGOREZLF-CABCVRRESA-N 1 2 341.477 1.195 20 30 EDEDLO CC(=O)N1CC[C@@H](CN(C)C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000328837130 444368830 /nfs/dbraw/zinc/36/88/30/444368830.db2.gz MYQASUZBIKUDJG-AWEZNQCLSA-N 1 2 329.404 1.549 20 30 EDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000331127114 444405860 /nfs/dbraw/zinc/40/58/60/444405860.db2.gz OAJGFYXOXKZWIZ-AWEZNQCLSA-N 1 2 336.480 1.906 20 30 EDEDLO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000331127114 444405864 /nfs/dbraw/zinc/40/58/64/444405864.db2.gz OAJGFYXOXKZWIZ-AWEZNQCLSA-N 1 2 336.480 1.906 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1COCCN1C)c1ccc(F)cc1 ZINC000328934955 444410888 /nfs/dbraw/zinc/41/08/88/444410888.db2.gz FKJSCPQBWWXTEZ-HUUCEWRRSA-N 1 2 332.379 1.936 20 30 EDEDLO O=C(CC[N@@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)Nc1ccccc1 ZINC000328948875 444417998 /nfs/dbraw/zinc/41/79/98/444417998.db2.gz HCQYXHBCJHRRPJ-ZBFHGGJFSA-N 1 2 349.406 1.936 20 30 EDEDLO O=C(CC[N@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)Nc1ccccc1 ZINC000328948875 444418003 /nfs/dbraw/zinc/41/80/03/444418003.db2.gz HCQYXHBCJHRRPJ-ZBFHGGJFSA-N 1 2 349.406 1.936 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cnc(C4CC4)nc3)C[C@H]21 ZINC000328864954 444380299 /nfs/dbraw/zinc/38/02/99/444380299.db2.gz GHRWBKZFFQYGLW-HZPDHXFCSA-N 1 2 345.447 1.215 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cnc(C4CC4)nc3)C[C@H]21 ZINC000328864954 444380304 /nfs/dbraw/zinc/38/03/04/444380304.db2.gz GHRWBKZFFQYGLW-HZPDHXFCSA-N 1 2 345.447 1.215 20 30 EDEDLO O=C(CCNC(=O)[C@@H]1CCC(=O)N1)N1CCN(c2cccc[nH+]2)CC1 ZINC000328898798 444392574 /nfs/dbraw/zinc/39/25/74/444392574.db2.gz YGNNMDFZZSIMAR-ZDUSSCGKSA-N 1 2 345.403 1.196 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccccc3-n3cccn3)C[C@H]21 ZINC000328969828 444429212 /nfs/dbraw/zinc/42/92/12/444429212.db2.gz UNYIDNSTFUBOPV-SJORKVTESA-N 1 2 341.415 1.823 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccccc3-n3cccn3)C[C@H]21 ZINC000328969828 444429216 /nfs/dbraw/zinc/42/92/16/444429216.db2.gz UNYIDNSTFUBOPV-SJORKVTESA-N 1 2 341.415 1.823 20 30 EDEDLO C=CCn1c(CCC(C)C)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000337862937 444440743 /nfs/dbraw/zinc/44/07/43/444440743.db2.gz OFZTYQLUQRYOTB-INIZCTEOSA-N 1 2 333.480 1.964 20 30 EDEDLO Cc1ncc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(C2CC2)n1 ZINC000329128350 444478608 /nfs/dbraw/zinc/47/86/08/444478608.db2.gz NIYUZWSXONJBQJ-CABCVRRESA-N 1 2 331.420 1.613 20 30 EDEDLO Cc1ncc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c(C2CC2)n1 ZINC000329128350 444478609 /nfs/dbraw/zinc/47/86/09/444478609.db2.gz NIYUZWSXONJBQJ-CABCVRRESA-N 1 2 331.420 1.613 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000329149902 444484858 /nfs/dbraw/zinc/48/48/58/444484858.db2.gz ZENLXFHWXMCSOY-GFCCVEGCSA-N 1 2 345.407 1.083 20 30 EDEDLO CC(=O)N1CCC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000329166757 444489974 /nfs/dbraw/zinc/48/99/74/444489974.db2.gz IEXDDZIGFKKKFC-GDBMZVCRSA-N 1 2 341.477 1.162 20 30 EDEDLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000329182015 444493894 /nfs/dbraw/zinc/49/38/94/444493894.db2.gz NRCPDPODWFQEDH-MNOVXSKESA-N 1 2 336.417 1.353 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nnc(C3CC3)s2)nc1 ZINC000580553558 322065870 /nfs/dbraw/zinc/06/58/70/322065870.db2.gz ABJZYFBOAHOUAG-UHFFFAOYSA-N 1 2 349.441 1.246 20 30 EDEDLO Cc1ccn2cc(CNC(=O)NC[C@H]3CC(=O)N(C4CC4)C3)[nH+]c2c1 ZINC000329321560 444535071 /nfs/dbraw/zinc/53/50/71/444535071.db2.gz JFIKRTBUGSUHCD-CYBMUJFWSA-N 1 2 341.415 1.657 20 30 EDEDLO C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000332305340 444509133 /nfs/dbraw/zinc/50/91/33/444509133.db2.gz WEOREKMBOURIRC-PMPSAXMXSA-N 1 2 346.475 1.612 20 30 EDEDLO CC(C)(C)OC[C@H](O)C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000338186362 444554292 /nfs/dbraw/zinc/55/42/92/444554292.db2.gz POAYFJKGEDSXMB-LPMFXHHGSA-N 1 2 343.427 1.508 20 30 EDEDLO CC(C)(C)OC[C@H](O)C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000338186362 444554295 /nfs/dbraw/zinc/55/42/95/444554295.db2.gz POAYFJKGEDSXMB-LPMFXHHGSA-N 1 2 343.427 1.508 20 30 EDEDLO Cc1noc([C@H]2CCCN2C(=O)NCC2([NH+]3CCOCC3)CC2)n1 ZINC000329424281 444573754 /nfs/dbraw/zinc/57/37/54/444573754.db2.gz GBOAVZVBQMATMJ-CYBMUJFWSA-N 1 2 335.408 1.294 20 30 EDEDLO CO[C@@H]1CCCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329434245 444577909 /nfs/dbraw/zinc/57/79/09/444577909.db2.gz IUQHCTDRMPJZIR-HUUCEWRRSA-N 1 2 336.436 1.913 20 30 EDEDLO C[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)c1nnc2n1CCCC2 ZINC000329333291 444538191 /nfs/dbraw/zinc/53/81/91/444538191.db2.gz NKBNGBHQGQSYFM-ZDUSSCGKSA-N 1 2 333.436 1.887 20 30 EDEDLO CCn1cccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1=O ZINC000329356623 444547715 /nfs/dbraw/zinc/54/77/15/444547715.db2.gz WGQCICZAYJYWIS-MRXNPFEDSA-N 1 2 333.432 1.968 20 30 EDEDLO CCn1cccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1=O ZINC000329356623 444547721 /nfs/dbraw/zinc/54/77/21/444547721.db2.gz WGQCICZAYJYWIS-MRXNPFEDSA-N 1 2 333.432 1.968 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329559282 444628114 /nfs/dbraw/zinc/62/81/14/444628114.db2.gz LVEKMDPVQUSVAF-QWHCGFSZSA-N 1 2 340.449 1.470 20 30 EDEDLO Cn1ncc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1-c1ccccc1 ZINC000329458252 444588245 /nfs/dbraw/zinc/58/82/45/444588245.db2.gz QZTMVCFMKHHGGV-HZPDHXFCSA-N 1 2 341.415 1.647 20 30 EDEDLO Cn1ncc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1-c1ccccc1 ZINC000329458252 444588247 /nfs/dbraw/zinc/58/82/47/444588247.db2.gz QZTMVCFMKHHGGV-HZPDHXFCSA-N 1 2 341.415 1.647 20 30 EDEDLO O=S1(=O)CCCC[C@@H]1C[NH+]=C([O-])N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329501582 444606464 /nfs/dbraw/zinc/60/64/64/444606464.db2.gz GHYZUTOZQUGVMZ-ZIAGYGMSSA-N 1 2 340.449 1.229 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000329501582 444606468 /nfs/dbraw/zinc/60/64/68/444606468.db2.gz GHYZUTOZQUGVMZ-ZIAGYGMSSA-N 1 2 340.449 1.229 20 30 EDEDLO Cc1nn(C)c2cc(NC(=O)NC[C@H]3CN(C)CC[N@@H+]3C)ccc12 ZINC000329622372 444652622 /nfs/dbraw/zinc/65/26/22/444652622.db2.gz NKVKKBWMTGIAAG-AWEZNQCLSA-N 1 2 330.436 1.453 20 30 EDEDLO Cc1nn(C)c2cc(NC(=O)NC[C@H]3CN(C)CC[N@H+]3C)ccc12 ZINC000329622372 444652625 /nfs/dbraw/zinc/65/26/25/444652625.db2.gz NKVKKBWMTGIAAG-AWEZNQCLSA-N 1 2 330.436 1.453 20 30 EDEDLO C[N@H+](CC(=O)Nc1nc2c(s1)CCCC2)[C@]1(CO)CCOC1 ZINC000329658705 444668727 /nfs/dbraw/zinc/66/87/27/444668727.db2.gz NLNPTVHCHFGNBG-HNNXBMFYSA-N 1 2 325.434 1.693 20 30 EDEDLO C[N@@H+](CC(=O)Nc1nc2c(s1)CCCC2)[C@]1(CO)CCOC1 ZINC000329658705 444668731 /nfs/dbraw/zinc/66/87/31/444668731.db2.gz NLNPTVHCHFGNBG-HNNXBMFYSA-N 1 2 325.434 1.693 20 30 EDEDLO CN1CCN(CC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1=O ZINC000329671611 444674384 /nfs/dbraw/zinc/67/43/84/444674384.db2.gz SELFBTFPMHFAIG-UHFFFAOYSA-N 1 2 345.447 1.302 20 30 EDEDLO O=C(NC[C@@H]1CCCS1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000329688971 444679863 /nfs/dbraw/zinc/67/98/63/444679863.db2.gz CKBWAGAFSYWDLL-DZGCQCFKSA-N 1 2 345.534 1.594 20 30 EDEDLO Cn1nc(CCNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c2ccccc21 ZINC000329598710 444643328 /nfs/dbraw/zinc/64/33/28/444643328.db2.gz JMCRPFLNEPXFIF-DLBZAZTESA-N 1 2 343.431 1.045 20 30 EDEDLO Cn1nc(CCNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c2ccccc21 ZINC000329598710 444643330 /nfs/dbraw/zinc/64/33/30/444643330.db2.gz JMCRPFLNEPXFIF-DLBZAZTESA-N 1 2 343.431 1.045 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCOCC2(CCOCC2)C1 ZINC000329721002 444692353 /nfs/dbraw/zinc/69/23/53/444692353.db2.gz DTIMWDUGKJVQQQ-CYBMUJFWSA-N 1 2 334.420 1.310 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCOCC2(CCOCC2)C1 ZINC000329721002 444692358 /nfs/dbraw/zinc/69/23/58/444692358.db2.gz DTIMWDUGKJVQQQ-CYBMUJFWSA-N 1 2 334.420 1.310 20 30 EDEDLO C[C@H](Cn1cccn1)[NH+]=C([O-])N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000329850552 444739231 /nfs/dbraw/zinc/73/92/31/444739231.db2.gz ZTAQOUMMMWNQEY-HZPDHXFCSA-N 1 2 335.452 1.372 20 30 EDEDLO C[C@H](Cn1cccn1)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000329850552 444739234 /nfs/dbraw/zinc/73/92/34/444739234.db2.gz ZTAQOUMMMWNQEY-HZPDHXFCSA-N 1 2 335.452 1.372 20 30 EDEDLO C[C@@H]1CN(C([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)CC2(CCOCC2)O1 ZINC000329918600 444768194 /nfs/dbraw/zinc/76/81/94/444768194.db2.gz RGQLWGLXKYLOBF-HUUCEWRRSA-N 1 2 348.447 1.629 20 30 EDEDLO CCOC1CC(CNC(=O)c2csc(=O)[nH]2)([NH+]2CCOCC2)C1 ZINC000329922974 444770195 /nfs/dbraw/zinc/77/01/95/444770195.db2.gz IFXRGSKGHKLNTF-UHFFFAOYSA-N 1 2 341.433 1.423 20 30 EDEDLO CCC1(CNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CCOCC1 ZINC000329947136 444781847 /nfs/dbraw/zinc/78/18/47/444781847.db2.gz GVYKJPABDROVJR-HNNXBMFYSA-N 1 2 349.479 1.829 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCc3nc4ccccc4[nH]3)C[C@@H]21 ZINC000329977092 444796755 /nfs/dbraw/zinc/79/67/55/444796755.db2.gz FXAVDONPUPBWFO-LSDHHAIUSA-N 1 2 329.404 1.034 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCc3nc4ccccc4[nH]3)C[C@@H]21 ZINC000329977092 444796756 /nfs/dbraw/zinc/79/67/56/444796756.db2.gz FXAVDONPUPBWFO-LSDHHAIUSA-N 1 2 329.404 1.034 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)CCN1C ZINC000329998259 444805108 /nfs/dbraw/zinc/80/51/08/444805108.db2.gz RZRXVSFBKLQTOL-QLFBSQMISA-N 1 2 333.436 1.190 20 30 EDEDLO COC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCC(C)CC1 ZINC000330027721 444816943 /nfs/dbraw/zinc/81/69/43/444816943.db2.gz NLASMFRVLLUMOZ-DGNOSDGRSA-N 1 2 325.453 1.511 20 30 EDEDLO COC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCC(C)CC1 ZINC000330027721 444816945 /nfs/dbraw/zinc/81/69/45/444816945.db2.gz NLASMFRVLLUMOZ-DGNOSDGRSA-N 1 2 325.453 1.511 20 30 EDEDLO Cc1ccc2c(CCNC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c[nH]c2c1 ZINC000329957065 444786831 /nfs/dbraw/zinc/78/68/31/444786831.db2.gz LPWGXLWJIBPWBG-MSOLQXFVSA-N 1 2 342.443 1.948 20 30 EDEDLO Cc1ccc2c(CCNC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c[nH]c2c1 ZINC000329957065 444786833 /nfs/dbraw/zinc/78/68/33/444786833.db2.gz LPWGXLWJIBPWBG-MSOLQXFVSA-N 1 2 342.443 1.948 20 30 EDEDLO Cc1nnc([C@@H]2CCCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)[nH]1 ZINC000336887114 444834024 /nfs/dbraw/zinc/83/40/24/444834024.db2.gz HPXGOLKIKBQYFE-RDJZCZTQSA-N 1 2 341.415 1.952 20 30 EDEDLO Cc1nnc([C@@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)[nH]1 ZINC000336887114 444834029 /nfs/dbraw/zinc/83/40/29/444834029.db2.gz HPXGOLKIKBQYFE-RDJZCZTQSA-N 1 2 341.415 1.952 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000336896344 444839534 /nfs/dbraw/zinc/83/95/34/444839534.db2.gz NNPOMYHUMHPVEV-KBPBESRZSA-N 1 2 325.438 1.246 20 30 EDEDLO O=C(C[N@@H+]1CCO[C@H](C2CC2)C1)NC[C@H]1COc2ccccc2O1 ZINC000330113097 444848596 /nfs/dbraw/zinc/84/85/96/444848596.db2.gz CMHSENXUVHOWCG-YOEHRIQHSA-N 1 2 332.400 1.894 20 30 EDEDLO O=C(C[N@H+]1CCO[C@H](C2CC2)C1)NC[C@H]1COc2ccccc2O1 ZINC000330113097 444848599 /nfs/dbraw/zinc/84/85/99/444848599.db2.gz CMHSENXUVHOWCG-YOEHRIQHSA-N 1 2 332.400 1.894 20 30 EDEDLO C=C(C)Cn1c(C(C)C)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000338792575 444853466 /nfs/dbraw/zinc/85/34/66/444853466.db2.gz ZIIBIEQVMVSNOW-UHFFFAOYSA-N 1 2 334.468 1.236 20 30 EDEDLO CN(C)c1nc2cc(NC(=O)NC[C@H]3CN(C)CC[N@@H+]3C)ccc2o1 ZINC000330136038 444858200 /nfs/dbraw/zinc/85/82/00/444858200.db2.gz TXDJRPQQXVYWBS-ZDUSSCGKSA-N 1 2 346.435 1.466 20 30 EDEDLO CN(C)c1nc2cc(NC(=O)NC[C@H]3CN(C)CC[N@H+]3C)ccc2o1 ZINC000330136038 444858202 /nfs/dbraw/zinc/85/82/02/444858202.db2.gz TXDJRPQQXVYWBS-ZDUSSCGKSA-N 1 2 346.435 1.466 20 30 EDEDLO CN1CCC[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1=O ZINC000330158683 444867466 /nfs/dbraw/zinc/86/74/66/444867466.db2.gz QDJWAFPKAFUINE-MRXNPFEDSA-N 1 2 331.416 1.444 20 30 EDEDLO C[C@H](C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)n1cnc(C#N)n1 ZINC000336946451 444868198 /nfs/dbraw/zinc/86/81/98/444868198.db2.gz MHNNWGWXTLXCMT-NEPJUHHUSA-N 1 2 341.419 1.336 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)c1 ZINC000342869180 444904898 /nfs/dbraw/zinc/90/48/98/444904898.db2.gz UOYNFMMHEPNOCG-HNNXBMFYSA-N 1 2 343.431 1.293 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)c1 ZINC000342869180 444904902 /nfs/dbraw/zinc/90/49/02/444904902.db2.gz UOYNFMMHEPNOCG-HNNXBMFYSA-N 1 2 343.431 1.293 20 30 EDEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)N3CCCCCC3)CC2)C1 ZINC000338892721 444916898 /nfs/dbraw/zinc/91/68/98/444916898.db2.gz FONKEXKLMIJGEO-HOTGVXAUSA-N 1 2 340.493 1.417 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)CCC3CCCC3)CC2)C1=O ZINC000337125977 444953347 /nfs/dbraw/zinc/95/33/47/444953347.db2.gz FJFYTGNSFUEIJJ-QGZVFWFLSA-N 1 2 333.476 1.888 20 30 EDEDLO N#Cc1ncn(CCNC(=O)CCn2c3ccccc3[nH+]c2C2CC2)n1 ZINC000343037159 445020872 /nfs/dbraw/zinc/02/08/72/445020872.db2.gz GVQDLJVEXGXVFM-UHFFFAOYSA-N 1 2 349.398 1.583 20 30 EDEDLO COC(=O)[C@@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1C(=O)OC ZINC000341829314 445022116 /nfs/dbraw/zinc/02/21/16/445022116.db2.gz BROOFDRYUYAOTD-HOTGVXAUSA-N 1 2 336.432 1.045 20 30 EDEDLO COC(=O)[C@@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1C(=O)OC ZINC000341829314 445022119 /nfs/dbraw/zinc/02/21/19/445022119.db2.gz BROOFDRYUYAOTD-HOTGVXAUSA-N 1 2 336.432 1.045 20 30 EDEDLO Cc1cc(C[N@@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)ccc1C#N ZINC000344510243 445022980 /nfs/dbraw/zinc/02/29/80/445022980.db2.gz HGYPMTOMRHZHRS-SJORKVTESA-N 1 2 331.391 1.638 20 30 EDEDLO Cc1cc(C[N@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)ccc1C#N ZINC000344510243 445022985 /nfs/dbraw/zinc/02/29/85/445022985.db2.gz HGYPMTOMRHZHRS-SJORKVTESA-N 1 2 331.391 1.638 20 30 EDEDLO CCC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000330458126 444989120 /nfs/dbraw/zinc/98/91/20/444989120.db2.gz IAIREBSQQWFDLW-AWEZNQCLSA-N 1 2 333.436 1.552 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCc2cc(F)cc(F)c2)C1=O ZINC000337224929 444992792 /nfs/dbraw/zinc/99/27/92/444992792.db2.gz NWAFTNWGVKBGAX-OAHLLOKOSA-N 1 2 337.370 1.300 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCc2cc(F)cc(F)c2)C1=O ZINC000337224929 444992794 /nfs/dbraw/zinc/99/27/94/444992794.db2.gz NWAFTNWGVKBGAX-OAHLLOKOSA-N 1 2 337.370 1.300 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](CCCC)C(=O)Nc2cc(C)on2)C1=O ZINC000337235736 444997701 /nfs/dbraw/zinc/99/77/01/444997701.db2.gz XUOYUZUCGJMCHQ-HUUCEWRRSA-N 1 2 348.447 2.199 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](CCCC)C(=O)Nc2cc(C)on2)C1=O ZINC000337235736 444997702 /nfs/dbraw/zinc/99/77/02/444997702.db2.gz XUOYUZUCGJMCHQ-HUUCEWRRSA-N 1 2 348.447 2.199 20 30 EDEDLO CC(C)Cn1ncc(NC(=O)N2CC[NH+](CCO)CC2)c1C(F)F ZINC000330499776 445007821 /nfs/dbraw/zinc/00/78/21/445007821.db2.gz LAJOLLBJIZYZIE-UHFFFAOYSA-N 1 2 345.394 1.632 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000330500390 445007985 /nfs/dbraw/zinc/00/79/85/445007985.db2.gz OODFGXQBTDXVGG-QFBILLFUSA-N 1 2 343.475 1.955 20 30 EDEDLO CCC(=O)N[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000330508529 445010842 /nfs/dbraw/zinc/01/08/42/445010842.db2.gz GQWAGPRNOXDTRX-CQSZACIVSA-N 1 2 340.468 1.002 20 30 EDEDLO CCC(=O)N[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000330508529 445010848 /nfs/dbraw/zinc/01/08/48/445010848.db2.gz GQWAGPRNOXDTRX-CQSZACIVSA-N 1 2 340.468 1.002 20 30 EDEDLO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000339185468 445078101 /nfs/dbraw/zinc/07/81/01/445078101.db2.gz OQIUVSZHNXWSJT-CQSZACIVSA-N 1 2 346.456 1.841 20 30 EDEDLO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000339185468 445078107 /nfs/dbraw/zinc/07/81/07/445078107.db2.gz OQIUVSZHNXWSJT-CQSZACIVSA-N 1 2 346.456 1.841 20 30 EDEDLO CS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000337473634 445096723 /nfs/dbraw/zinc/09/67/23/445096723.db2.gz WZGOLGWGWMHYRO-NSHDSACASA-N 1 2 327.431 1.067 20 30 EDEDLO 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EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNc1nccc(C#N)c1Cl ZINC000516975846 448514672 /nfs/dbraw/zinc/51/46/72/448514672.db2.gz KKQKZBNBCSIKSH-STQMWFEESA-N 1 2 348.813 2.365 20 30 EDEDLO N#CC[C@@]1(O)CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000591916520 448574120 /nfs/dbraw/zinc/57/41/20/448574120.db2.gz LXXGXWHYSUATTF-QGZVFWFLSA-N 1 2 329.404 1.110 20 30 EDEDLO CCN(C(=O)[C@H](C)[NH+]1CCC(CC#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000541025152 448665100 /nfs/dbraw/zinc/66/51/00/448665100.db2.gz UGHXSRXPOKEPFA-DZGCQCFKSA-N 1 2 341.477 1.036 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000573696983 448693436 /nfs/dbraw/zinc/69/34/36/448693436.db2.gz OHQVHLKCIWLINW-CABCVRRESA-N 1 2 325.453 1.074 20 30 EDEDLO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccncc3C#N)CC2)n1 ZINC000592117236 448694636 /nfs/dbraw/zinc/69/46/36/448694636.db2.gz UBDXRJAHUFOIQK-UHFFFAOYSA-N 1 2 340.387 1.628 20 30 EDEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149192 448710944 /nfs/dbraw/zinc/71/09/44/448710944.db2.gz KLIOMHBBDQXEDO-GOSISDBHSA-N 1 2 331.416 1.440 20 30 EDEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149192 448710946 /nfs/dbraw/zinc/71/09/46/448710946.db2.gz KLIOMHBBDQXEDO-GOSISDBHSA-N 1 2 331.416 1.440 20 30 EDEDLO CN(CCCc1[nH]nc(N)c1C#N)c1[nH+]c2ccc(F)cc2n1C ZINC000518879673 448717468 /nfs/dbraw/zinc/71/74/68/448717468.db2.gz PDHGEHWBCROGRH-UHFFFAOYSA-N 1 2 327.367 1.958 20 30 EDEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567994805 448796403 /nfs/dbraw/zinc/79/64/03/448796403.db2.gz VPOBPEXOESTBNA-CQSZACIVSA-N 1 2 331.376 1.702 20 30 EDEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567994805 448796407 /nfs/dbraw/zinc/79/64/07/448796407.db2.gz VPOBPEXOESTBNA-CQSZACIVSA-N 1 2 331.376 1.702 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000574222569 448822962 /nfs/dbraw/zinc/82/29/62/448822962.db2.gz NZEJBQTXLIHQOD-LJQANCHMSA-N 1 2 339.443 1.992 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000579921336 448908510 /nfs/dbraw/zinc/90/85/10/448908510.db2.gz FQBFMMALDCWKMU-RRQGHBQHSA-N 1 2 329.400 1.305 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000579921336 448908514 /nfs/dbraw/zinc/90/85/14/448908514.db2.gz FQBFMMALDCWKMU-RRQGHBQHSA-N 1 2 329.400 1.305 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000582219824 449038472 /nfs/dbraw/zinc/03/84/72/449038472.db2.gz SGCHYJHDOXRUEO-XHSDSOJGSA-N 1 2 325.453 1.330 20 30 EDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000597857965 449126423 /nfs/dbraw/zinc/12/64/23/449126423.db2.gz OIODFRPBLRZCEL-CYBMUJFWSA-N 1 2 327.363 1.905 20 30 EDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000597857965 449126426 /nfs/dbraw/zinc/12/64/26/449126426.db2.gz OIODFRPBLRZCEL-CYBMUJFWSA-N 1 2 327.363 1.905 20 30 EDEDLO N#Cc1ccsc1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000590219191 449116576 /nfs/dbraw/zinc/11/65/76/449116576.db2.gz BBLZRXXFSQJGMP-UHFFFAOYSA-N 1 2 340.408 1.690 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000597848144 449121818 /nfs/dbraw/zinc/12/18/18/449121818.db2.gz UVEYJHQQDWMFBA-AWEZNQCLSA-N 1 2 327.388 1.485 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(O)(CO)CC1 ZINC000595737977 449140005 /nfs/dbraw/zinc/14/00/05/449140005.db2.gz SVTXMMAJPWIGKA-CQSZACIVSA-N 1 2 349.406 1.280 20 30 EDEDLO N#Cc1sccc1N1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000597939108 449150265 /nfs/dbraw/zinc/15/02/65/449150265.db2.gz LTQHBZCCKRCIEB-GFCCVEGCSA-N 1 2 341.440 1.797 20 30 EDEDLO N#Cc1sccc1N1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000597939108 449150267 /nfs/dbraw/zinc/15/02/67/449150267.db2.gz LTQHBZCCKRCIEB-GFCCVEGCSA-N 1 2 341.440 1.797 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC(CO)(CO)C1 ZINC000595805591 449178060 /nfs/dbraw/zinc/17/80/60/449178060.db2.gz HYXWBSGSZLYWCA-UHFFFAOYSA-N 1 2 325.206 1.497 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC(CO)(CO)C1 ZINC000595805591 449178064 /nfs/dbraw/zinc/17/80/64/449178064.db2.gz HYXWBSGSZLYWCA-UHFFFAOYSA-N 1 2 325.206 1.497 20 30 EDEDLO CCCOc1cccc(CNC(=O)C[NH+]2CCN(CCC#N)CC2)c1 ZINC000611175127 449200466 /nfs/dbraw/zinc/20/04/66/449200466.db2.gz UQLJHOYWVZTWCH-UHFFFAOYSA-N 1 2 344.459 1.623 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595865532 449217805 /nfs/dbraw/zinc/21/78/05/449217805.db2.gz ADPGJOQRAVJDSK-IAQYHMDHSA-N 1 2 325.359 1.596 20 30 EDEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000595828644 449191289 /nfs/dbraw/zinc/19/12/89/449191289.db2.gz UTWSTYYNFXNHAW-CQSZACIVSA-N 1 2 335.452 1.017 20 30 EDEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000595828644 449191297 /nfs/dbraw/zinc/19/12/97/449191297.db2.gz UTWSTYYNFXNHAW-CQSZACIVSA-N 1 2 335.452 1.017 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000593886205 449263567 /nfs/dbraw/zinc/26/35/67/449263567.db2.gz FQLVJJROMNMRTQ-UHFFFAOYSA-N 1 2 335.379 1.118 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000594009029 449321069 /nfs/dbraw/zinc/32/10/69/449321069.db2.gz ZDULBTUOWPHWKP-GFCCVEGCSA-N 1 2 338.433 1.157 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNc3c(C#N)cnn3C)c[nH+]2)C[C@H](C)O1 ZINC000596077988 449352571 /nfs/dbraw/zinc/35/25/71/449352571.db2.gz XQPWLJHEFPKMJQ-BETUJISGSA-N 1 2 326.404 1.912 20 30 EDEDLO Cc1ccc(C#N)nc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000596107279 449364100 /nfs/dbraw/zinc/36/41/00/449364100.db2.gz LWBFEUAOMYSTJC-OAHLLOKOSA-N 1 2 341.459 1.831 20 30 EDEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000611552443 449333398 /nfs/dbraw/zinc/33/33/98/449333398.db2.gz BAXWJWJPPVGJOA-GOSISDBHSA-N 1 2 332.423 1.340 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598460208 449406363 /nfs/dbraw/zinc/40/63/63/449406363.db2.gz SNWDVVNBTYCWSW-LBPRGKRZSA-N 1 2 327.388 1.819 20 30 EDEDLO CC[C@@]1(O)CCN(c2[nH+]c(C)cc(N3CC[C@@](O)(CC)C3)c2C#N)C1 ZINC000596207165 449414169 /nfs/dbraw/zinc/41/41/69/449414169.db2.gz CSINKLTTZBTGSL-RBUKOAKNSA-N 1 2 344.459 1.964 20 30 EDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000594274436 449425301 /nfs/dbraw/zinc/42/53/01/449425301.db2.gz ZPXMWXOHKNASTG-HNNXBMFYSA-N 1 2 329.444 1.964 20 30 EDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000594274436 449425306 /nfs/dbraw/zinc/42/53/06/449425306.db2.gz ZPXMWXOHKNASTG-HNNXBMFYSA-N 1 2 329.444 1.964 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000596137872 449381859 /nfs/dbraw/zinc/38/18/59/449381859.db2.gz ZCZHNNOYGDRSBX-CQSZACIVSA-N 1 2 330.432 1.813 20 30 EDEDLO COCC(COC)[NH+]1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596271281 449448136 /nfs/dbraw/zinc/44/81/36/449448136.db2.gz YURRWXAFVLQGJR-UHFFFAOYSA-N 1 2 330.841 1.452 20 30 EDEDLO CO[C@@H]1C[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C[C@@H]1OC ZINC000617065399 449450438 /nfs/dbraw/zinc/45/04/38/449450438.db2.gz YIPHEESCWWONFK-HDICACEKSA-N 1 2 326.400 1.898 20 30 EDEDLO CO[C@@H]1C[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C[C@@H]1OC ZINC000617065399 449450441 /nfs/dbraw/zinc/45/04/41/449450441.db2.gz YIPHEESCWWONFK-HDICACEKSA-N 1 2 326.400 1.898 20 30 EDEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000602371056 449547331 /nfs/dbraw/zinc/54/73/31/449547331.db2.gz GFYCFFPXUBACIO-QGZVFWFLSA-N 1 2 328.416 1.563 20 30 EDEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000602371056 449547333 /nfs/dbraw/zinc/54/73/33/449547333.db2.gz GFYCFFPXUBACIO-QGZVFWFLSA-N 1 2 328.416 1.563 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598645090 449515481 /nfs/dbraw/zinc/51/54/81/449515481.db2.gz YZZRXWFOIDODAC-DOTOQJQBSA-N 1 2 349.456 1.300 20 30 EDEDLO C=CCn1cc(C[NH2+]Cc2cc(C(=O)OC)c3n2CCCC3)nn1 ZINC000598646610 449516674 /nfs/dbraw/zinc/51/66/74/449516674.db2.gz UXBJFDULOFIFTN-UHFFFAOYSA-N 1 2 329.404 1.678 20 30 EDEDLO C[C@@H](CC#N)[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602463423 449609592 /nfs/dbraw/zinc/60/95/92/449609592.db2.gz UXXOUSDZTRQDLC-VIFPVBQESA-N 1 2 346.250 1.830 20 30 EDEDLO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602463423 449609596 /nfs/dbraw/zinc/60/95/96/449609596.db2.gz UXXOUSDZTRQDLC-VIFPVBQESA-N 1 2 346.250 1.830 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC000602473534 449619912 /nfs/dbraw/zinc/61/99/12/449619912.db2.gz AKJHZERNYFFLJV-UHFFFAOYSA-N 1 2 344.440 1.672 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2cccc(C#N)n2)cc1 ZINC000602473534 449619917 /nfs/dbraw/zinc/61/99/17/449619917.db2.gz AKJHZERNYFFLJV-UHFFFAOYSA-N 1 2 344.440 1.672 20 30 EDEDLO CC[C@@H](C#N)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000601028717 449662240 /nfs/dbraw/zinc/66/22/40/449662240.db2.gz VBKXDFIBMFUBAW-AWEZNQCLSA-N 1 2 334.395 1.602 20 30 EDEDLO C=CCn1cc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)nn1 ZINC000614668085 449751633 /nfs/dbraw/zinc/75/16/33/449751633.db2.gz AYADHAVEEXBMTL-UHFFFAOYSA-N 1 2 346.460 1.699 20 30 EDEDLO C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](CC3(CC#N)CC3)CC2)C1 ZINC000602793622 449813010 /nfs/dbraw/zinc/81/30/10/449813010.db2.gz ZBJLFCSJTCCNDT-IRXDYDNUSA-N 1 2 332.492 1.993 20 30 EDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000602804803 449822987 /nfs/dbraw/zinc/82/29/87/449822987.db2.gz LHJAOTWYBPATNS-ACJLOTCBSA-N 1 2 327.384 1.269 20 30 EDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000602804803 449822992 /nfs/dbraw/zinc/82/29/92/449822992.db2.gz LHJAOTWYBPATNS-ACJLOTCBSA-N 1 2 327.384 1.269 20 30 EDEDLO COCCS(=O)(=O)c1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000617773212 449835994 /nfs/dbraw/zinc/83/59/94/449835994.db2.gz NIHVKAKUDJMRIC-HNNXBMFYSA-N 1 2 335.429 1.640 20 30 EDEDLO N#CCC1(C[NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)CC1 ZINC000602764343 449791636 /nfs/dbraw/zinc/79/16/36/449791636.db2.gz QRTISYWFNWGOGN-UHFFFAOYSA-N 1 2 338.455 1.887 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)NC(=O)Nc2ccccc2)C[C@H](C)N1CC#N ZINC000602860467 449869831 /nfs/dbraw/zinc/86/98/31/449869831.db2.gz IKIGCLIQWQOCDV-KBPBESRZSA-N 1 2 329.404 1.253 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)C[C@H](C)N1CC#N ZINC000602863272 449873056 /nfs/dbraw/zinc/87/30/56/449873056.db2.gz PIRRGJOBCZEESV-GASCZTMLSA-N 1 2 344.463 1.855 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccnn2C2CCCC2)C[C@H](C)N1CC#N ZINC000602863272 449873062 /nfs/dbraw/zinc/87/30/62/449873062.db2.gz PIRRGJOBCZEESV-GASCZTMLSA-N 1 2 344.463 1.855 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)NC(=O)NC2CCCCC2)C[C@H](C)N1CC#N ZINC000602867076 449876173 /nfs/dbraw/zinc/87/61/73/449876173.db2.gz XIJOKHLCUADMOF-KBPBESRZSA-N 1 2 335.452 1.063 20 30 EDEDLO COCCc1noc(C[N@H+](C)C[C@@H](O)COc2ccccc2C#N)n1 ZINC000599310708 449882036 /nfs/dbraw/zinc/88/20/36/449882036.db2.gz ANIYCBUOHXSWHS-CQSZACIVSA-N 1 2 346.387 1.002 20 30 EDEDLO COCCc1noc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C#N)n1 ZINC000599310708 449882042 /nfs/dbraw/zinc/88/20/42/449882042.db2.gz ANIYCBUOHXSWHS-CQSZACIVSA-N 1 2 346.387 1.002 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1C#N ZINC000595125967 449885666 /nfs/dbraw/zinc/88/56/66/449885666.db2.gz LOGWJUWGQKUMHM-UONOGXRCSA-N 1 2 344.415 1.031 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1C#N ZINC000595125967 449885670 /nfs/dbraw/zinc/88/56/70/449885670.db2.gz LOGWJUWGQKUMHM-UONOGXRCSA-N 1 2 344.415 1.031 20 30 EDEDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000602878197 449887085 /nfs/dbraw/zinc/88/70/85/449887085.db2.gz RYFYAGRBDVXVAW-IAGOWNOFSA-N 1 2 346.427 1.432 20 30 EDEDLO CCn1nc(C)c(C[N@H+](C)CC(=O)N(CCC#N)CCC#N)c1C ZINC000602924126 449924027 /nfs/dbraw/zinc/92/40/27/449924027.db2.gz COXBAGZGAAGZDX-UHFFFAOYSA-N 1 2 330.436 1.608 20 30 EDEDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)N(CCC#N)CCC#N)c1C ZINC000602924126 449924033 /nfs/dbraw/zinc/92/40/33/449924033.db2.gz COXBAGZGAAGZDX-UHFFFAOYSA-N 1 2 330.436 1.608 20 30 EDEDLO N#Cc1cc(S(=O)(=O)NCC[NH+]2Cc3ccccc3C2)ccc1F ZINC000609134424 449964659 /nfs/dbraw/zinc/96/46/59/449964659.db2.gz OMMQFJGSOZTGKI-UHFFFAOYSA-N 1 2 345.399 1.991 20 30 EDEDLO COCCN(CCC#N)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000609136252 449965024 /nfs/dbraw/zinc/96/50/24/449965024.db2.gz HTAWWQVQSFEVES-UHFFFAOYSA-N 1 2 333.436 1.021 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000609152771 449969523 /nfs/dbraw/zinc/96/95/23/449969523.db2.gz UQUNMUDHFBEAPQ-MRXNPFEDSA-N 1 2 325.416 1.569 20 30 EDEDLO CCOC(=O)[C@@]1(C)C[N@H+](CCOc2ccc(C#N)cc2OC)CCO1 ZINC000603004099 449999805 /nfs/dbraw/zinc/99/98/05/449999805.db2.gz KFEAQSMAXAHVIY-GOSISDBHSA-N 1 2 348.399 1.600 20 30 EDEDLO CCOC(=O)[C@@]1(C)C[N@@H+](CCOc2ccc(C#N)cc2OC)CCO1 ZINC000603004099 449999807 /nfs/dbraw/zinc/99/98/07/449999807.db2.gz KFEAQSMAXAHVIY-GOSISDBHSA-N 1 2 348.399 1.600 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000613062735 450004702 /nfs/dbraw/zinc/00/47/02/450004702.db2.gz WFAVYPUDQGWJOJ-UONOGXRCSA-N 1 2 332.452 1.663 20 30 EDEDLO Cc1ccn2cc(CNC(=O)NC3CCN(CC#N)CC3)[nH+]c2c1 ZINC000609338223 450013610 /nfs/dbraw/zinc/01/36/10/450013610.db2.gz VIFOWNRQNUDQDP-UHFFFAOYSA-N 1 2 326.404 1.430 20 30 EDEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 ZINC000613204996 450078275 /nfs/dbraw/zinc/07/82/75/450078275.db2.gz CTSMAAZOYQJKFM-GFCCVEGCSA-N 1 2 344.444 2.264 20 30 EDEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000599575164 450078449 /nfs/dbraw/zinc/07/84/49/450078449.db2.gz NMLBPRDDQSZXNG-UHFFFAOYSA-N 1 2 344.806 1.739 20 30 EDEDLO C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000613268657 450111228 /nfs/dbraw/zinc/11/12/28/450111228.db2.gz ZHRDTILOONQUFK-CQSZACIVSA-N 1 2 337.445 1.261 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C#N)cc2OC(F)F)nn1 ZINC000603231610 450160826 /nfs/dbraw/zinc/16/08/26/450160826.db2.gz ADLBBVMGELYXEZ-UHFFFAOYSA-N 1 2 331.326 1.912 20 30 EDEDLO N#Cc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)cc1 ZINC000597639487 450163717 /nfs/dbraw/zinc/16/37/17/450163717.db2.gz AILCZVBYHQLRNL-INIZCTEOSA-N 1 2 339.399 1.512 20 30 EDEDLO N#Cc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)cc1 ZINC000597639487 450163721 /nfs/dbraw/zinc/16/37/21/450163721.db2.gz AILCZVBYHQLRNL-INIZCTEOSA-N 1 2 339.399 1.512 20 30 EDEDLO N#Cc1cccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)c1 ZINC000597642634 450166308 /nfs/dbraw/zinc/16/63/08/450166308.db2.gz VJTIUUXGHWOSSB-INIZCTEOSA-N 1 2 339.399 1.512 20 30 EDEDLO N#Cc1cccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)c1 ZINC000597642634 450166315 /nfs/dbraw/zinc/16/63/15/450166315.db2.gz VJTIUUXGHWOSSB-INIZCTEOSA-N 1 2 339.399 1.512 20 30 EDEDLO N#CCCCCC(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000597677993 450190088 /nfs/dbraw/zinc/19/00/88/450190088.db2.gz KNXGLCATIKAHQW-HNNXBMFYSA-N 1 2 325.478 1.737 20 30 EDEDLO N#CCc1cccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000619493143 450490115 /nfs/dbraw/zinc/49/01/15/450490115.db2.gz GSJKBIJMAKZQCS-HNNXBMFYSA-N 1 2 342.424 1.705 20 30 EDEDLO C=CCNC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000626379419 450713080 /nfs/dbraw/zinc/71/30/80/450713080.db2.gz CYHLVEXMOODAQW-OAHLLOKOSA-N 1 2 335.835 1.723 20 30 EDEDLO C=CCNC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000626379419 450713088 /nfs/dbraw/zinc/71/30/88/450713088.db2.gz CYHLVEXMOODAQW-OAHLLOKOSA-N 1 2 335.835 1.723 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000636673554 451403159 /nfs/dbraw/zinc/40/31/59/451403159.db2.gz VFCBCOJKKFYANQ-HUUCEWRRSA-N 1 2 339.480 1.320 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nn1 ZINC000640837975 451624546 /nfs/dbraw/zinc/62/45/46/451624546.db2.gz FQICZCFGGQBHPX-KBPBESRZSA-N 1 2 343.406 1.969 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H]2CCOc3ccccc32)nn1 ZINC000640843264 451629875 /nfs/dbraw/zinc/62/98/75/451629875.db2.gz DOWPPSQWBINVIK-MRXNPFEDSA-N 1 2 339.399 1.031 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2ccc(C)c(F)c2)nn1 ZINC000640896655 451679914 /nfs/dbraw/zinc/67/99/14/451679914.db2.gz JPVPGSPZIFJXFJ-UHFFFAOYSA-N 1 2 329.379 1.155 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000640924696 451692769 /nfs/dbraw/zinc/69/27/69/451692769.db2.gz YGVFZXHCQIGGBN-HNNXBMFYSA-N 1 2 335.452 1.138 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COCc2ccccc2F)nn1 ZINC000641196782 451776193 /nfs/dbraw/zinc/77/61/93/451776193.db2.gz INXQQMDWIDQMPH-INIZCTEOSA-N 1 2 332.379 1.108 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CCCS(=O)(=O)c2cccc(C)c2)nn1 ZINC000641137086 451759228 /nfs/dbraw/zinc/75/92/28/451759228.db2.gz IHZHDOKWISMCGB-UHFFFAOYSA-N 1 2 346.456 1.563 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)nn1 ZINC000641151908 451763031 /nfs/dbraw/zinc/76/30/31/451763031.db2.gz UNEUVDGSMFJESK-HNNXBMFYSA-N 1 2 331.464 1.676 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(O)(CO)CC1 ZINC000661618000 452437866 /nfs/dbraw/zinc/43/78/66/452437866.db2.gz SZPJIYLSUABPCK-UHFFFAOYSA-N 1 2 336.457 1.722 20 30 EDEDLO C=CCOc1ccc(CC(=O)N2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC000648092741 452813809 /nfs/dbraw/zinc/81/38/09/452813809.db2.gz VVGWOVJSXCZMAP-UHFFFAOYSA-N 1 2 345.443 1.026 20 30 EDEDLO C=CCn1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000648256945 452951977 /nfs/dbraw/zinc/95/19/77/452951977.db2.gz GZFBHYWXYNOEJM-UHFFFAOYSA-N 1 2 327.388 1.549 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)nn1 ZINC000648266165 452957061 /nfs/dbraw/zinc/95/70/61/452957061.db2.gz PJQQHHLPQIQORS-LBPRGKRZSA-N 1 2 328.420 1.703 20 30 EDEDLO C=C[C@](C)(O)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000667363580 453577394 /nfs/dbraw/zinc/57/73/94/453577394.db2.gz HZRDVTOAYMMIHW-KRWDZBQOSA-N 1 2 348.834 1.569 20 30 EDEDLO C=CC[N@@H+](CCS(=O)(=O)c1cccc(OC)c1)[C@H](C)COC ZINC000661243888 453772978 /nfs/dbraw/zinc/77/29/78/453772978.db2.gz NUKXHDANHYNNHR-CQSZACIVSA-N 1 2 327.446 1.992 20 30 EDEDLO C=CC[N@H+](CCS(=O)(=O)c1cccc(OC)c1)[C@H](C)COC ZINC000661243888 453772981 /nfs/dbraw/zinc/77/29/81/453772981.db2.gz NUKXHDANHYNNHR-CQSZACIVSA-N 1 2 327.446 1.992 20 30 EDEDLO CCN1C(=O)[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)CCN2C1=O ZINC000676715945 486852657 /nfs/dbraw/zinc/85/26/57/486852657.db2.gz PKXLUOYUJUHTSA-HNNXBMFYSA-N 1 2 331.803 1.660 20 30 EDEDLO CCN1C(=O)[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)CCN2C1=O ZINC000676715945 486852661 /nfs/dbraw/zinc/85/26/61/486852661.db2.gz PKXLUOYUJUHTSA-HNNXBMFYSA-N 1 2 331.803 1.660 20 30 EDEDLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)CCCCC#N)C[C@H](C)O1 ZINC000109337466 534436855 /nfs/dbraw/zinc/43/68/55/534436855.db2.gz CVEZMGBRIYSZKG-OKILXGFUSA-N 1 2 331.482 1.487 20 30 EDEDLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)CCCCC#N)C[C@H](C)O1 ZINC000109337466 534436863 /nfs/dbraw/zinc/43/68/63/534436863.db2.gz CVEZMGBRIYSZKG-OKILXGFUSA-N 1 2 331.482 1.487 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155313993 526606561 /nfs/dbraw/zinc/60/65/61/526606561.db2.gz ONTFCPYNGKFZKP-VIFPVBQESA-N 1 2 347.341 1.271 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155313993 526606566 /nfs/dbraw/zinc/60/65/66/526606566.db2.gz ONTFCPYNGKFZKP-VIFPVBQESA-N 1 2 347.341 1.271 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C(C)C)cc2)CC1 ZINC000104007872 526997847 /nfs/dbraw/zinc/99/78/47/526997847.db2.gz HNDOYNKWKMCHRV-UHFFFAOYSA-N 1 2 341.455 1.707 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C(C)C)cc2)CC1 ZINC000104007872 526997852 /nfs/dbraw/zinc/99/78/52/526997852.db2.gz HNDOYNKWKMCHRV-UHFFFAOYSA-N 1 2 341.455 1.707 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2C)CC1 ZINC000129377690 526997886 /nfs/dbraw/zinc/99/78/86/526997886.db2.gz CUMXVNGQXDAJAI-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2C)CC1 ZINC000129377690 526997891 /nfs/dbraw/zinc/99/78/91/526997891.db2.gz CUMXVNGQXDAJAI-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO CC(C)CCc1noc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000176265004 527872992 /nfs/dbraw/zinc/87/29/92/527872992.db2.gz GJQLRBXQLUTFIO-UHFFFAOYSA-N 1 2 335.452 1.706 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000330369749 535775055 /nfs/dbraw/zinc/77/50/55/535775055.db2.gz CFWWSLYRLUDLRC-ILXRZTDVSA-N 1 2 339.465 1.492 20 30 EDEDLO C=C(COC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1)C(=O)OCC ZINC000741022450 579394075 /nfs/dbraw/zinc/39/40/75/579394075.db2.gz VXLGMLBQUNJZRV-KKUMJFAQSA-N 1 2 327.421 1.783 20 30 EDEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741384723 579414102 /nfs/dbraw/zinc/41/41/02/579414102.db2.gz DPUSETUFQXXNKL-HOCLYGCPSA-N 1 2 332.400 1.121 20 30 EDEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741384723 579414103 /nfs/dbraw/zinc/41/41/03/579414103.db2.gz DPUSETUFQXXNKL-HOCLYGCPSA-N 1 2 332.400 1.121 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)nc1 ZINC000742853730 579464078 /nfs/dbraw/zinc/46/40/78/579464078.db2.gz RKQWGWGAUADWQD-AWEZNQCLSA-N 1 2 336.399 1.293 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)nc1 ZINC000742853730 579464079 /nfs/dbraw/zinc/46/40/79/579464079.db2.gz RKQWGWGAUADWQD-AWEZNQCLSA-N 1 2 336.399 1.293 20 30 EDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000743854936 579492366 /nfs/dbraw/zinc/49/23/66/579492366.db2.gz UNSYXDSUMMSANI-UHFFFAOYSA-N 1 2 339.439 1.302 20 30 EDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000743854936 579492368 /nfs/dbraw/zinc/49/23/68/579492368.db2.gz UNSYXDSUMMSANI-UHFFFAOYSA-N 1 2 339.439 1.302 20 30 EDEDLO C#CC[N@H+](CC#CC)CC(=O)N(CC)C[C@@H]1COc2ccccc2O1 ZINC000743852534 579492406 /nfs/dbraw/zinc/49/24/06/579492406.db2.gz UQGMHGXNPOELDW-QGZVFWFLSA-N 1 2 340.423 1.633 20 30 EDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(CC)C[C@@H]1COc2ccccc2O1 ZINC000743852534 579492407 /nfs/dbraw/zinc/49/24/07/579492407.db2.gz UQGMHGXNPOELDW-QGZVFWFLSA-N 1 2 340.423 1.633 20 30 EDEDLO C#CC[N@@H+](CCCS(=O)(=O)CCOC)Cc1ccc(F)cc1 ZINC000727829501 578539137 /nfs/dbraw/zinc/53/91/37/578539137.db2.gz CRSXPAYWRQHZQL-UHFFFAOYSA-N 1 2 327.421 1.712 20 30 EDEDLO C#CC[N@H+](CCCS(=O)(=O)CCOC)Cc1ccc(F)cc1 ZINC000727829501 578539138 /nfs/dbraw/zinc/53/91/38/578539138.db2.gz CRSXPAYWRQHZQL-UHFFFAOYSA-N 1 2 327.421 1.712 20 30 EDEDLO C#Cc1ccc(C(=O)NC2(c3noc(C[NH+](C)C)n3)CCCC2)nc1 ZINC000728862994 578553297 /nfs/dbraw/zinc/55/32/97/578553297.db2.gz UOHSKDULAZMBCX-UHFFFAOYSA-N 1 2 339.399 1.707 20 30 EDEDLO CNC(=O)CC[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000728928441 578554491 /nfs/dbraw/zinc/55/44/91/578554491.db2.gz WHYKUACMRVPMMN-NSHDSACASA-N 1 2 330.413 1.540 20 30 EDEDLO CNC(=O)CC[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000728928441 578554492 /nfs/dbraw/zinc/55/44/92/578554492.db2.gz WHYKUACMRVPMMN-NSHDSACASA-N 1 2 330.413 1.540 20 30 EDEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000729926020 578601816 /nfs/dbraw/zinc/60/18/16/578601816.db2.gz JWXVQFAFIYVIDU-ZDUSSCGKSA-N 1 2 342.399 1.389 20 30 EDEDLO C[N@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCOC1 ZINC000730259619 578637430 /nfs/dbraw/zinc/63/74/30/578637430.db2.gz SYCBANRXAROTDM-YOEHRIQHSA-N 1 2 328.372 1.003 20 30 EDEDLO C[N@@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCOC1 ZINC000730259619 578637432 /nfs/dbraw/zinc/63/74/32/578637432.db2.gz SYCBANRXAROTDM-YOEHRIQHSA-N 1 2 328.372 1.003 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000730277847 578638457 /nfs/dbraw/zinc/63/84/57/578638457.db2.gz GEMYKLISXYJKPZ-KRWDZBQOSA-N 1 2 325.412 1.845 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000730277847 578638458 /nfs/dbraw/zinc/63/84/58/578638458.db2.gz GEMYKLISXYJKPZ-KRWDZBQOSA-N 1 2 325.412 1.845 20 30 EDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1=S ZINC000732189119 578696212 /nfs/dbraw/zinc/69/62/12/578696212.db2.gz AMQKUMKSARHZAW-CYBMUJFWSA-N 1 2 336.465 1.287 20 30 EDEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1=S ZINC000732189119 578696214 /nfs/dbraw/zinc/69/62/14/578696214.db2.gz AMQKUMKSARHZAW-CYBMUJFWSA-N 1 2 336.465 1.287 20 30 EDEDLO Cc1cccn2cc(CC(=O)OCC(=O)N(C)C(C)(C)C#N)[nH+]c12 ZINC000732357472 578707856 /nfs/dbraw/zinc/70/78/56/578707856.db2.gz FXVWYTTZZNYHNR-UHFFFAOYSA-N 1 2 328.372 1.489 20 30 EDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000732649153 578721741 /nfs/dbraw/zinc/72/17/41/578721741.db2.gz PNVQTGNSJNLIDI-OAHLLOKOSA-N 1 2 337.427 1.797 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732809785 578730943 /nfs/dbraw/zinc/73/09/43/578730943.db2.gz HEQRPRDWFWYHTG-BXUZGUMPSA-N 1 2 348.369 1.136 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732809785 578730944 /nfs/dbraw/zinc/73/09/44/578730944.db2.gz HEQRPRDWFWYHTG-BXUZGUMPSA-N 1 2 348.369 1.136 20 30 EDEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000733295356 578757845 /nfs/dbraw/zinc/75/78/45/578757845.db2.gz ZQDIPTSRGAKUDB-SFHVURJKSA-N 1 2 331.416 1.632 20 30 EDEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000733295356 578757846 /nfs/dbraw/zinc/75/78/46/578757846.db2.gz ZQDIPTSRGAKUDB-SFHVURJKSA-N 1 2 331.416 1.632 20 30 EDEDLO CC#CC[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000735447781 578885290 /nfs/dbraw/zinc/88/52/90/578885290.db2.gz GLBQMABLYHUFLX-UHFFFAOYSA-N 1 2 333.399 1.560 20 30 EDEDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000761054615 580045614 /nfs/dbraw/zinc/04/56/14/580045614.db2.gz HOAWZZATRVDUBW-JSGCOSHPSA-N 1 2 349.394 1.434 20 30 EDEDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000761054615 580045615 /nfs/dbraw/zinc/04/56/15/580045615.db2.gz HOAWZZATRVDUBW-JSGCOSHPSA-N 1 2 349.394 1.434 20 30 EDEDLO N#CCC[C@@H](C#N)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000737683373 579125256 /nfs/dbraw/zinc/12/52/56/579125256.db2.gz KBLUWGHRISXFGV-AWEZNQCLSA-N 1 2 336.403 1.432 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000788086318 579139603 /nfs/dbraw/zinc/13/96/03/579139603.db2.gz ZPRAUWALKNOYBM-CYBMUJFWSA-N 1 2 335.379 1.795 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000788086318 579139604 /nfs/dbraw/zinc/13/96/04/579139604.db2.gz ZPRAUWALKNOYBM-CYBMUJFWSA-N 1 2 335.379 1.795 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCNC(=O)CC1 ZINC000744206649 579503430 /nfs/dbraw/zinc/50/34/30/579503430.db2.gz SKPRVHPHNOJHGP-ZDUSSCGKSA-N 1 2 335.367 1.046 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCNC(=O)CC1 ZINC000744206649 579503431 /nfs/dbraw/zinc/50/34/31/579503431.db2.gz SKPRVHPHNOJHGP-ZDUSSCGKSA-N 1 2 335.367 1.046 20 30 EDEDLO CC[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@H]1CCCO1 ZINC000744402609 579509640 /nfs/dbraw/zinc/50/96/40/579509640.db2.gz VDVVSCBNJFZUBU-CQSZACIVSA-N 1 2 326.400 1.921 20 30 EDEDLO CC[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@H]1CCCO1 ZINC000744402609 579509642 /nfs/dbraw/zinc/50/96/42/579509642.db2.gz VDVVSCBNJFZUBU-CQSZACIVSA-N 1 2 326.400 1.921 20 30 EDEDLO CC[N@H+](C)[C@@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000745097857 579538543 /nfs/dbraw/zinc/53/85/43/579538543.db2.gz MDGSWALPJNQSEV-GDBMZVCRSA-N 1 2 331.416 1.983 20 30 EDEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000745097857 579538545 /nfs/dbraw/zinc/53/85/45/579538545.db2.gz MDGSWALPJNQSEV-GDBMZVCRSA-N 1 2 331.416 1.983 20 30 EDEDLO COc1ccc(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1C#N ZINC000746731111 579608419 /nfs/dbraw/zinc/60/84/19/579608419.db2.gz NINNJZVDUZWGMD-KGLIPLIRSA-N 1 2 346.431 1.475 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000749874011 579742689 /nfs/dbraw/zinc/74/26/89/579742689.db2.gz LLNFVZPOINYPQM-UHFFFAOYSA-N 1 2 333.395 1.199 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)CC1 ZINC000751382013 579803753 /nfs/dbraw/zinc/80/37/53/579803753.db2.gz FFIUCXKIFBRHDJ-UHFFFAOYSA-N 1 2 339.370 1.368 20 30 EDEDLO CCOc1ccc(C=[NH+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c(O)c1 ZINC000751891215 579826502 /nfs/dbraw/zinc/82/65/02/579826502.db2.gz XAUJXLABWPMVLH-GATKTMFZSA-N 1 2 345.399 1.930 20 30 EDEDLO O=C1Nc2c(c(Cl)ccc2F)C1=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753932751 579891417 /nfs/dbraw/zinc/89/14/17/579891417.db2.gz AIBUYOVQBGNYNH-NXEZZACHSA-N 1 2 335.770 1.995 20 30 EDEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]CC(=O)NCCC#N)n1 ZINC000755041682 579918676 /nfs/dbraw/zinc/91/86/76/579918676.db2.gz RUNMLOHRHGGBOV-NSHDSACASA-N 1 2 329.360 1.426 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N=NCC(C)(C)C)nc2)CC1 ZINC000755552540 579929522 /nfs/dbraw/zinc/92/95/22/579929522.db2.gz IIHAGHWUNYGOSD-UHFFFAOYSA-N 1 2 339.465 1.462 20 30 EDEDLO CC(C)CN=Nc1ncccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000755730839 579933621 /nfs/dbraw/zinc/93/36/21/579933621.db2.gz NQZAAIWQXNAFHJ-UHFFFAOYSA-N 1 2 325.438 1.071 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](C#N)C1 ZINC000757574790 579968249 /nfs/dbraw/zinc/96/82/49/579968249.db2.gz GNARYYKFOHUFDV-STQMWFEESA-N 1 2 333.392 1.148 20 30 EDEDLO CCCCNC(=O)C1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000758203038 579976722 /nfs/dbraw/zinc/97/67/22/579976722.db2.gz CLDAIBZYTKCWQC-UHFFFAOYSA-N 1 2 330.432 1.614 20 30 EDEDLO CCOC(=O)c1nn(C)cc1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761857986 580062713 /nfs/dbraw/zinc/06/27/13/580062713.db2.gz PWNGWUVNTUTMEX-UHFFFAOYSA-N 1 2 340.347 1.019 20 30 EDEDLO Cc1ncc(CO)c(/C=[NH+]\CC2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000762435697 580074327 /nfs/dbraw/zinc/07/43/27/580074327.db2.gz HSFKSENBDLCNPR-WSVATBPTSA-N 1 2 335.404 1.874 20 30 EDEDLO CCC1(CC)C(=NNC(=S)NCC[NH+]2CCOCC2)C[C@@H]1OC ZINC000762605364 580078817 /nfs/dbraw/zinc/07/88/17/580078817.db2.gz UYHGTCZKIVOWQM-AWEZNQCLSA-N 1 2 342.509 1.364 20 30 EDEDLO C[C@]1(CCc2ccccc2)NC(=O)N(N=Cc2ccc[nH+]c2N)C1=O ZINC000764669348 580126205 /nfs/dbraw/zinc/12/62/05/580126205.db2.gz LYUDFMTUXCJVOD-GOSISDBHSA-N 1 2 337.383 1.941 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000769216765 580231258 /nfs/dbraw/zinc/23/12/58/580231258.db2.gz JXMPSWMZDWIQBX-UHFFFAOYSA-N 1 2 341.864 1.234 20 30 EDEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000772226504 580305497 /nfs/dbraw/zinc/30/54/97/580305497.db2.gz NJVJHVAKPBISJX-LBPRGKRZSA-N 1 2 329.809 1.105 20 30 EDEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000772226504 580305498 /nfs/dbraw/zinc/30/54/98/580305498.db2.gz NJVJHVAKPBISJX-LBPRGKRZSA-N 1 2 329.809 1.105 20 30 EDEDLO CC(CCCC(F)(F)F)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000774320403 580359617 /nfs/dbraw/zinc/35/96/17/580359617.db2.gz LVRWCOWIAKXEBR-UHFFFAOYSA-N 1 2 340.415 1.891 20 30 EDEDLO C#C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000775340729 580388692 /nfs/dbraw/zinc/38/86/92/580388692.db2.gz MPBSSYCSPLRVCL-MSOLQXFVSA-N 1 2 328.412 1.429 20 30 EDEDLO Cc1[nH+]cc(C=NNC2CCS(=O)(=O)CC2)n1-c1ccccc1 ZINC000776793269 580429208 /nfs/dbraw/zinc/42/92/08/580429208.db2.gz WXSJULLEEUDLJA-UHFFFAOYSA-N 1 2 332.429 1.681 20 30 EDEDLO CC(C)COC[C@H](O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000779392379 580484838 /nfs/dbraw/zinc/48/48/38/580484838.db2.gz MNHVFGVQCIHCIM-ZNMIVQPWSA-N 1 2 341.452 1.369 20 30 EDEDLO CCCC[C@H](ON=C(C)C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000781075405 580541468 /nfs/dbraw/zinc/54/14/68/580541468.db2.gz SPYSVHMOAQQEMR-INIZCTEOSA-N 1 2 340.468 1.238 20 30 EDEDLO CN(C)c1cc(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)cc[nH+]1 ZINC000782109500 580566451 /nfs/dbraw/zinc/56/64/51/580566451.db2.gz BHOBWMUAIMSXTM-LJQANCHMSA-N 1 2 349.394 1.986 20 30 EDEDLO C[C@H]1C[C@@H](CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000783029498 580591999 /nfs/dbraw/zinc/59/19/99/580591999.db2.gz NXWCURALMGTATD-RDJZCZTQSA-N 1 2 347.459 1.971 20 30 EDEDLO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1=S ZINC000788380151 580719833 /nfs/dbraw/zinc/71/98/33/580719833.db2.gz AXHWYDUQWUZXTR-INIZCTEOSA-N 1 2 333.461 1.647 20 30 EDEDLO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1=S ZINC000788380151 580719834 /nfs/dbraw/zinc/71/98/34/580719834.db2.gz AXHWYDUQWUZXTR-INIZCTEOSA-N 1 2 333.461 1.647 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000791872137 580804182 /nfs/dbraw/zinc/80/41/82/580804182.db2.gz VTOOBSRFRPLVJD-ROUUACIJSA-N 1 2 339.439 1.310 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000791872137 580804183 /nfs/dbraw/zinc/80/41/83/580804183.db2.gz VTOOBSRFRPLVJD-ROUUACIJSA-N 1 2 339.439 1.310 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000792305135 580817059 /nfs/dbraw/zinc/81/70/59/580817059.db2.gz FOBXRDSDYUUXJE-UHFFFAOYSA-N 1 2 338.385 1.133 20 30 EDEDLO C#CC[N@H+](C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000792305135 580817060 /nfs/dbraw/zinc/81/70/60/580817060.db2.gz FOBXRDSDYUUXJE-UHFFFAOYSA-N 1 2 338.385 1.133 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](Cn1cc3c(c(C#N)c1=O)CCC3)CCO2 ZINC000794658414 580901606 /nfs/dbraw/zinc/90/16/06/580901606.db2.gz IJWRBCJAWGSBPD-ACJLOTCBSA-N 1 2 329.400 1.046 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](Cn1cc3c(c(C#N)c1=O)CCC3)CCO2 ZINC000794658414 580901607 /nfs/dbraw/zinc/90/16/07/580901607.db2.gz IJWRBCJAWGSBPD-ACJLOTCBSA-N 1 2 329.400 1.046 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000799074413 581015628 /nfs/dbraw/zinc/01/56/28/581015628.db2.gz HVJBXIACGQRTED-IAGOWNOFSA-N 1 2 332.469 1.667 20 30 EDEDLO O=C1C=C([NH2+]Nc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H]2CCCN12 ZINC000799478462 581028870 /nfs/dbraw/zinc/02/88/70/581028870.db2.gz GNJAINHDSRXXHB-OAHLLOKOSA-N 1 2 348.428 1.290 20 30 EDEDLO C=CC[C@@H]1CCN1C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000890555491 590657161 /nfs/dbraw/zinc/65/71/61/590657161.db2.gz AANGYEQKDHYTPM-CQSZACIVSA-N 1 2 336.457 1.813 20 30 EDEDLO C#Cc1cccc(CNC(=O)c2cccn2CC[NH+]2CCOCC2)c1 ZINC000909389915 590936082 /nfs/dbraw/zinc/93/60/82/590936082.db2.gz BULIXHVWKULEIN-UHFFFAOYSA-N 1 2 337.423 1.732 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000891536802 591114497 /nfs/dbraw/zinc/11/44/97/591114497.db2.gz NWNSELJSEQOMTL-UHFFFAOYSA-N 1 2 328.460 1.380 20 30 EDEDLO N#Cc1cc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)cs1 ZINC000893881388 591126969 /nfs/dbraw/zinc/12/69/69/591126969.db2.gz BIGRKKSAFMRZPY-UHFFFAOYSA-N 1 2 339.486 1.315 20 30 EDEDLO CCN(CC)C(=O)CN1CCC[N@H+](Cc2csc(C#N)c2)CC1 ZINC000891591057 591139183 /nfs/dbraw/zinc/13/91/83/591139183.db2.gz AANOCBALXZVXBG-UHFFFAOYSA-N 1 2 334.489 1.996 20 30 EDEDLO CCN(CC)C(=O)CN1CCC[N@@H+](Cc2csc(C#N)c2)CC1 ZINC000891591057 591139186 /nfs/dbraw/zinc/13/91/86/591139186.db2.gz AANOCBALXZVXBG-UHFFFAOYSA-N 1 2 334.489 1.996 20 30 EDEDLO N#Cc1cc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cs1 ZINC000891591140 591139228 /nfs/dbraw/zinc/13/92/28/591139228.db2.gz DMGAYECPZAEDTH-UHFFFAOYSA-N 1 2 332.473 1.750 20 30 EDEDLO N#Cc1cc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cs1 ZINC000891591140 591139230 /nfs/dbraw/zinc/13/92/30/591139230.db2.gz DMGAYECPZAEDTH-UHFFFAOYSA-N 1 2 332.473 1.750 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000891608577 591148845 /nfs/dbraw/zinc/14/88/45/591148845.db2.gz 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C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CC[C@H](OCC)C1 ZINC000908695802 592575053 /nfs/dbraw/zinc/57/50/53/592575053.db2.gz UPNJIYZBOFIIGK-KKUMJFAQSA-N 1 2 335.452 1.471 20 30 EDEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CC[C@H](OCC)C1 ZINC000908695802 592575055 /nfs/dbraw/zinc/57/50/55/592575055.db2.gz UPNJIYZBOFIIGK-KKUMJFAQSA-N 1 2 335.452 1.471 20 30 EDEDLO C=CCn1nnn(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1=S ZINC000905677086 592608973 /nfs/dbraw/zinc/60/89/73/592608973.db2.gz WUAIHCCESOTXIX-WBVHZDCISA-N 1 2 343.456 1.853 20 30 EDEDLO C=CCn1nnn(C[N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1=S ZINC000905677086 592608974 /nfs/dbraw/zinc/60/89/74/592608974.db2.gz WUAIHCCESOTXIX-WBVHZDCISA-N 1 2 343.456 1.853 20 30 EDEDLO C#CC[N@@H+](CN1C(=O)C(=O)N(Cc2ccc(OC)cc2)C1=O)C(C)C ZINC000905743338 592634677 /nfs/dbraw/zinc/63/46/77/592634677.db2.gz OJJXXZUPIAESII-UHFFFAOYSA-N 1 2 343.383 1.287 20 30 EDEDLO C#CC[N@H+](CN1C(=O)C(=O)N(Cc2ccc(OC)cc2)C1=O)C(C)C ZINC000905743338 592634678 /nfs/dbraw/zinc/63/46/78/592634678.db2.gz OJJXXZUPIAESII-UHFFFAOYSA-N 1 2 343.383 1.287 20 30 EDEDLO C#CC[N@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(C)C ZINC000905743523 592634829 /nfs/dbraw/zinc/63/48/29/592634829.db2.gz UEYHCVNZQOQCAT-QGZVFWFLSA-N 1 2 344.371 1.663 20 30 EDEDLO C#CC[N@@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(C)C ZINC000905743523 592634830 /nfs/dbraw/zinc/63/48/30/592634830.db2.gz UEYHCVNZQOQCAT-QGZVFWFLSA-N 1 2 344.371 1.663 20 30 EDEDLO C=CC[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(=O)OC ZINC000905756107 592637594 /nfs/dbraw/zinc/63/75/94/592637594.db2.gz PIJOXSKUPOLQTI-RDJZCZTQSA-N 1 2 345.443 1.596 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccsc1C#N ZINC000907568553 592713794 /nfs/dbraw/zinc/71/37/94/592713794.db2.gz WQEMABDEQFXPFE-RYUDHWBXSA-N 1 2 347.419 1.696 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)CC(C)(C)C#N ZINC000907581002 592721092 /nfs/dbraw/zinc/72/10/92/592721092.db2.gz IEQSKIYUOFXMDV-MRXNPFEDSA-N 1 2 339.399 1.582 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000805807631 593145865 /nfs/dbraw/zinc/14/58/65/593145865.db2.gz LIVDGEFMURAYFX-SJORKVTESA-N 1 2 341.411 1.717 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000805807631 593145866 /nfs/dbraw/zinc/14/58/66/593145866.db2.gz LIVDGEFMURAYFX-SJORKVTESA-N 1 2 341.411 1.717 20 30 EDEDLO C#CCC[C@@H](O)CNc1nc(NC[C@@H](O)CCC#C)c(Cl)c[nH+]1 ZINC000798419393 593200905 /nfs/dbraw/zinc/20/09/05/593200905.db2.gz KLYAJWIJWKJAJI-QWHCGFSZSA-N 1 2 336.823 1.502 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000839170306 593270435 /nfs/dbraw/zinc/27/04/35/593270435.db2.gz LDRVKVJUVXWKFN-KHGNHVIDSA-N 1 2 330.428 1.152 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000839170306 593270436 /nfs/dbraw/zinc/27/04/36/593270436.db2.gz LDRVKVJUVXWKFN-KHGNHVIDSA-N 1 2 330.428 1.152 20 30 EDEDLO C#C[C@H]([NH2+]CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C)[C@H]1CCCO1 ZINC000839565035 593339393 /nfs/dbraw/zinc/33/93/93/593339393.db2.gz UQEMFEKABDEGJX-DZGCQCFKSA-N 1 2 332.400 1.761 20 30 EDEDLO CON=CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000809742342 593357540 /nfs/dbraw/zinc/35/75/40/593357540.db2.gz SWFBNJSXQLTMLO-HIFRSBDPSA-N 1 2 325.796 1.460 20 30 EDEDLO CON=CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000809742342 593357542 /nfs/dbraw/zinc/35/75/42/593357542.db2.gz SWFBNJSXQLTMLO-HIFRSBDPSA-N 1 2 325.796 1.460 20 30 EDEDLO CC[C@](C)(C#N)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000803787388 593363535 /nfs/dbraw/zinc/36/35/35/593363535.db2.gz WPPVPGLKRJRFDQ-QGZVFWFLSA-N 1 2 349.456 1.875 20 30 EDEDLO C#CCNC(=S)NC[C@H](c1ccc(OC)cc1)[NH+]1CCOCC1 ZINC000758181625 593395129 /nfs/dbraw/zinc/39/51/29/593395129.db2.gz RZRAHTBTTPRTIB-MRXNPFEDSA-N 1 2 333.457 1.166 20 30 EDEDLO COc1cc[nH+]cc1COC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000805439361 593450681 /nfs/dbraw/zinc/45/06/81/593450681.db2.gz VCOXUSFSGQEUOX-UHFFFAOYSA-N 1 2 325.324 1.435 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)CC(C)C ZINC000813426086 593532271 /nfs/dbraw/zinc/53/22/71/593532271.db2.gz YGZNMNZTVLHZEV-MRXNPFEDSA-N 1 2 347.463 1.881 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)CC(C)C ZINC000813426086 593532273 /nfs/dbraw/zinc/53/22/73/593532273.db2.gz YGZNMNZTVLHZEV-MRXNPFEDSA-N 1 2 347.463 1.881 20 30 EDEDLO OCCC[C@H]1CCCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000814717377 593601356 /nfs/dbraw/zinc/60/13/56/593601356.db2.gz UZJTZWHUSPWGCS-CQSZACIVSA-N 1 2 342.509 1.101 20 30 EDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000814828630 593604455 /nfs/dbraw/zinc/60/44/55/593604455.db2.gz MDKSMHUKMUYZKJ-UHFFFAOYSA-N 1 2 343.359 1.753 20 30 EDEDLO CS(=O)(=O)CC1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000814886326 593606030 /nfs/dbraw/zinc/60/60/30/593606030.db2.gz YJDQCJLQSCXSDM-HIDCPEKUSA-N 1 2 326.466 1.437 20 30 EDEDLO C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000817843750 593640288 /nfs/dbraw/zinc/64/02/88/593640288.db2.gz HLSPFNBZLUKHMA-KRWDZBQOSA-N 1 2 336.395 1.344 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(OC[C@H]2CCCO2)cc1 ZINC000819411136 593753829 /nfs/dbraw/zinc/75/38/29/593753829.db2.gz KQMBSALWPUOMJU-FUHWJXTLSA-N 1 2 333.432 1.863 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(OC[C@H]2CCCO2)cc1 ZINC000819411136 593753830 /nfs/dbraw/zinc/75/38/30/593753830.db2.gz KQMBSALWPUOMJU-FUHWJXTLSA-N 1 2 333.432 1.863 20 30 EDEDLO C=CCCNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000820765458 593885317 /nfs/dbraw/zinc/88/53/17/593885317.db2.gz MZEXPVZMHFCLFG-CYBMUJFWSA-N 1 2 326.441 1.413 20 30 EDEDLO C=CCCNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000820765458 593885318 /nfs/dbraw/zinc/88/53/18/593885318.db2.gz MZEXPVZMHFCLFG-CYBMUJFWSA-N 1 2 326.441 1.413 20 30 EDEDLO Cn1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000822218653 594013261 /nfs/dbraw/zinc/01/32/61/594013261.db2.gz WSPBGCIVCWSZPC-UHFFFAOYSA-N 1 2 343.818 1.903 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000822713481 594090150 /nfs/dbraw/zinc/09/01/50/594090150.db2.gz RNSSZLXMVAQSCK-CQSZACIVSA-N 1 2 336.395 1.593 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000822713481 594090152 /nfs/dbraw/zinc/09/01/52/594090152.db2.gz RNSSZLXMVAQSCK-CQSZACIVSA-N 1 2 336.395 1.593 20 30 EDEDLO CC(C)(C(=O)N1CC[NH+](Cc2cn[nH]c2)CC1)c1ccc(C#N)cc1 ZINC000823002981 594134953 /nfs/dbraw/zinc/13/49/53/594134953.db2.gz IHLVSRWFGDLULB-UHFFFAOYSA-N 1 2 337.427 1.903 20 30 EDEDLO C#CC1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 ZINC000830329825 594376207 /nfs/dbraw/zinc/37/62/07/594376207.db2.gz IMOWUTKLADLGRL-UHFFFAOYSA-N 1 2 331.441 1.619 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3c(Cl)cc(F)cc3C2)CC1 ZINC000830357105 594381948 /nfs/dbraw/zinc/38/19/48/594381948.db2.gz LFBBOSNGPJNNMB-UHFFFAOYSA-N 1 2 349.837 1.615 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)o3)CC2)c1 ZINC000826387678 594455367 /nfs/dbraw/zinc/45/53/67/594455367.db2.gz KJPREEGIALPOKY-UHFFFAOYSA-N 1 2 336.359 1.049 20 30 EDEDLO COC(=O)C1(C#N)CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000828970496 594540192 /nfs/dbraw/zinc/54/01/92/594540192.db2.gz YTVLBDOOZVPPPA-UHFFFAOYSA-N 1 2 329.404 1.750 20 30 EDEDLO COC(=O)C1(C#N)CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000828970496 594540195 /nfs/dbraw/zinc/54/01/95/594540195.db2.gz YTVLBDOOZVPPPA-UHFFFAOYSA-N 1 2 329.404 1.750 20 30 EDEDLO C[C@H](C(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1)n1cnc(C#N)n1 ZINC000829048447 594557143 /nfs/dbraw/zinc/55/71/43/594557143.db2.gz WQEJWHQIILNTNY-OCCSQVGLSA-N 1 2 337.387 1.117 20 30 EDEDLO C#CCNC(=O)C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000832673190 594768297 /nfs/dbraw/zinc/76/82/97/594768297.db2.gz PHHHCRXBCOWUBW-ZDUSSCGKSA-N 1 2 325.206 1.164 20 30 EDEDLO C#CCNC(=O)C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000832673190 594768298 /nfs/dbraw/zinc/76/82/98/594768298.db2.gz PHHHCRXBCOWUBW-ZDUSSCGKSA-N 1 2 325.206 1.164 20 30 EDEDLO CC(C)CCC[C@@H](C)NC(=O)CON=C(N)C[NH+]1CCSCC1 ZINC000121430137 594867877 /nfs/dbraw/zinc/86/78/77/594867877.db2.gz DBLMPXKCTSYQJZ-CQSZACIVSA-N 1 2 344.525 1.655 20 30 EDEDLO C#Cc1cccc(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000836659043 594984885 /nfs/dbraw/zinc/98/48/85/594984885.db2.gz VFYCPRMPVYOMPZ-YJBOKZPZSA-N 1 2 327.428 1.673 20 30 EDEDLO CN(C[C@H](O)c1cccc(C#N)c1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000845608541 595031775 /nfs/dbraw/zinc/03/17/75/595031775.db2.gz LLRMPUQZSLMLGB-INIZCTEOSA-N 1 2 339.399 1.355 20 30 EDEDLO CN(C[C@H](O)c1cccc(C#N)c1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000845608541 595031778 /nfs/dbraw/zinc/03/17/78/595031778.db2.gz LLRMPUQZSLMLGB-INIZCTEOSA-N 1 2 339.399 1.355 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)[C@H]1CCCC[C@H]1C ZINC000834920474 595238889 /nfs/dbraw/zinc/23/88/89/595238889.db2.gz QSPBLSXIYZLMHC-HIFRSBDPSA-N 1 2 326.510 1.985 20 30 EDEDLO C#CCO[C@@H](C)C(=O)OC[C@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000835197921 595278053 /nfs/dbraw/zinc/27/80/53/595278053.db2.gz XEZJZKWBNCOVFX-UONOGXRCSA-N 1 2 325.405 1.374 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)OC[C@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000835197823 595277961 /nfs/dbraw/zinc/27/79/61/595277961.db2.gz VVRNHWNVLJSIPL-CQSZACIVSA-N 1 2 347.415 1.860 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)OC[C@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000835197823 595277963 /nfs/dbraw/zinc/27/79/63/595277963.db2.gz VVRNHWNVLJSIPL-CQSZACIVSA-N 1 2 347.415 1.860 20 30 EDEDLO C#CCO[C@@H](C)C(=O)OC[C@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000835197921 595278050 /nfs/dbraw/zinc/27/80/50/595278050.db2.gz XEZJZKWBNCOVFX-UONOGXRCSA-N 1 2 325.405 1.374 20 30 EDEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844269424 595314434 /nfs/dbraw/zinc/31/44/34/595314434.db2.gz NEWJGTNZROHMSM-CQSZACIVSA-N 1 2 344.390 1.803 20 30 EDEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000844278409 595315458 /nfs/dbraw/zinc/31/54/58/595315458.db2.gz HONZOHLFYHJYLJ-INIZCTEOSA-N 1 2 327.388 1.520 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000844528823 595355557 /nfs/dbraw/zinc/35/55/57/595355557.db2.gz MBENPCVXQDEYKG-SFHVURJKSA-N 1 2 344.415 1.152 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](Cn3cc(-c4ccncn4)cn3)CC2)n1 ZINC000848483965 595392141 /nfs/dbraw/zinc/39/21/41/595392141.db2.gz BXHHEDCGWGDUMK-UHFFFAOYSA-N 1 2 346.398 1.386 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(F)c3cccnc23)CC1 ZINC000844768034 595393240 /nfs/dbraw/zinc/39/32/40/595393240.db2.gz HBPLUICPRYTIHZ-UHFFFAOYSA-N 1 2 327.359 1.530 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000845502488 595508086 /nfs/dbraw/zinc/50/80/86/595508086.db2.gz LPMJCAOJRMNFHN-DLBZAZTESA-N 1 2 340.427 1.777 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000112920489 595569002 /nfs/dbraw/zinc/56/90/02/595569002.db2.gz OXAIGDSPNPZIIN-UKRRQHHQSA-N 1 2 343.402 1.811 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000112920436 595569381 /nfs/dbraw/zinc/56/93/81/595569381.db2.gz NWZXIGHFVQSJJO-UHFFFAOYSA-N 1 2 328.372 1.560 20 30 EDEDLO Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)nc1 ZINC000858032668 595687787 /nfs/dbraw/zinc/68/77/87/595687787.db2.gz MMGHMSINWYMSJY-YJBOKZPZSA-N 1 2 330.432 1.898 20 30 EDEDLO Cc1ccc(O[C@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)nc1 ZINC000858032668 595687790 /nfs/dbraw/zinc/68/77/90/595687790.db2.gz MMGHMSINWYMSJY-YJBOKZPZSA-N 1 2 330.432 1.898 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000858195781 595726766 /nfs/dbraw/zinc/72/67/66/595726766.db2.gz CJAUTOFISZTSMH-NSHDSACASA-N 1 2 332.326 1.673 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O ZINC000853621238 595835009 /nfs/dbraw/zinc/83/50/09/595835009.db2.gz VEEXZQUDPPUKQF-HXUWFJFHSA-N 1 2 340.423 1.559 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O ZINC000853621238 595835013 /nfs/dbraw/zinc/83/50/13/595835013.db2.gz VEEXZQUDPPUKQF-HXUWFJFHSA-N 1 2 340.423 1.559 20 30 EDEDLO Cc1nonc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000853657270 595848471 /nfs/dbraw/zinc/84/84/71/595848471.db2.gz BYRUUVAYWGYXSV-UHFFFAOYSA-N 1 2 331.376 1.047 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000854113782 595979437 /nfs/dbraw/zinc/97/94/37/595979437.db2.gz KITVWERGLUZFNH-ZDUSSCGKSA-N 1 2 334.420 1.951 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000852319450 596125077 /nfs/dbraw/zinc/12/50/77/596125077.db2.gz MZHPGGUUUCSUAN-MRXNPFEDSA-N 1 2 328.412 1.677 20 30 EDEDLO C#CCNC(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000852319450 596125079 /nfs/dbraw/zinc/12/50/79/596125079.db2.gz MZHPGGUUUCSUAN-MRXNPFEDSA-N 1 2 328.412 1.677 20 30 EDEDLO C#CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C(=O)OC ZINC000861950855 596158960 /nfs/dbraw/zinc/15/89/60/596158960.db2.gz LSHZRONFWYQJTQ-JKSUJKDBSA-N 1 2 348.830 1.986 20 30 EDEDLO C#CC[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C(=O)OC ZINC000861950855 596158962 /nfs/dbraw/zinc/15/89/62/596158962.db2.gz LSHZRONFWYQJTQ-JKSUJKDBSA-N 1 2 348.830 1.986 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c(C#N)c1C ZINC000852435511 596160620 /nfs/dbraw/zinc/16/06/20/596160620.db2.gz PUMNJMOEPNMBDI-DGCLKSJQSA-N 1 2 346.387 1.622 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CCOC3=O)C2)c(C#N)c1C ZINC000852435511 596160622 /nfs/dbraw/zinc/16/06/22/596160622.db2.gz PUMNJMOEPNMBDI-DGCLKSJQSA-N 1 2 346.387 1.622 20 30 EDEDLO CCc1ccc(C#CC(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000854725915 596176071 /nfs/dbraw/zinc/17/60/71/596176071.db2.gz CEQOSMINHSJTFS-IBGZPJMESA-N 1 2 326.440 1.924 20 30 EDEDLO C#CCCCCCC(=O)O[C@@H]1C[C@@H]2C(=O)NCc3ccc[nH+]c3N2C1 ZINC000870521059 596269645 /nfs/dbraw/zinc/26/96/45/596269645.db2.gz DJMRNETWTAWYKL-HZPDHXFCSA-N 1 2 341.411 1.786 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCN(c2nccnn2)CC1 ZINC000862442597 596330955 /nfs/dbraw/zinc/33/09/55/596330955.db2.gz IZTFZQYXAXDCIQ-UHFFFAOYSA-N 1 2 343.818 1.859 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000869233772 596455728 /nfs/dbraw/zinc/45/57/28/596455728.db2.gz FBUXQMUHSVZFCY-WSGSOLELSA-N 1 2 340.427 1.354 20 30 EDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@@]1(C#N)CCCOC1 ZINC000865136677 596488147 /nfs/dbraw/zinc/48/81/47/596488147.db2.gz WMQKLTLTGVUQAG-CYBMUJFWSA-N 1 2 330.310 1.724 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2cccnc2N=NC[C@@H]2CC23CC3)CC1 ZINC000863094080 596502072 /nfs/dbraw/zinc/50/20/72/596502072.db2.gz LLQGJPGHDQARGY-ZDUSSCGKSA-N 1 2 349.460 1.216 20 30 EDEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000865464730 596583188 /nfs/dbraw/zinc/58/31/88/596583188.db2.gz NZYFTWNQTALABM-HNNXBMFYSA-N 1 2 326.400 1.616 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)cn1 ZINC000863498090 596599754 /nfs/dbraw/zinc/59/97/54/596599754.db2.gz JLOZRIJGYORXFC-SFHVURJKSA-N 1 2 336.395 1.089 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)cn1 ZINC000863498090 596599755 /nfs/dbraw/zinc/59/97/55/596599755.db2.gz JLOZRIJGYORXFC-SFHVURJKSA-N 1 2 336.395 1.089 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1=O ZINC000871672517 596666768 /nfs/dbraw/zinc/66/67/68/596666768.db2.gz QPDQLBRENPMWDV-NJAFHUGGSA-N 1 2 343.427 1.510 20 30 EDEDLO Cc1cc(C(N)=[NH+]OCc2cn(C[C@@H]3CCOC3)nn2)ccc1F ZINC000871727989 596679662 /nfs/dbraw/zinc/67/96/62/596679662.db2.gz IGSSZJZYTHYRCV-LBPRGKRZSA-N 1 2 333.367 1.599 20 30 EDEDLO C=C(C)CN(CC)C(=O)COC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000869972840 596694521 /nfs/dbraw/zinc/69/45/21/596694521.db2.gz STAPLMNOURBBHW-UHFFFAOYSA-N 1 2 333.363 1.984 20 30 EDEDLO N#C[C@@H](C(=O)Cc1cn2cc(F)ccc2[nH+]1)C(=O)NC1CCCC1 ZINC000870159943 596780959 /nfs/dbraw/zinc/78/09/59/596780959.db2.gz UPMWPOLOSNSMTB-AWEZNQCLSA-N 1 2 328.347 1.784 20 30 EDEDLO Cc1c(Cl)cccc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000872328931 596881359 /nfs/dbraw/zinc/88/13/59/596881359.db2.gz HEJDZCRCGLLASP-UHFFFAOYSA-N 1 2 340.880 1.779 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N=NC3CC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000872351547 596884199 /nfs/dbraw/zinc/88/41/99/596884199.db2.gz YZEIQKKMVGXWPJ-CJNGLKHVSA-N 1 2 348.472 1.821 20 30 EDEDLO S=C1N=NC([C@@H]2CCCCO2)N1N=Cc1c[nH]c2nc[nH+]cc12 ZINC000872353409 596884214 /nfs/dbraw/zinc/88/42/14/596884214.db2.gz HHJLEAJMTYUPEB-NSHDSACASA-N 1 2 329.389 1.914 20 30 EDEDLO O[C@@H]1CCC[C@H]1NN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872385648 596897108 /nfs/dbraw/zinc/89/71/08/596897108.db2.gz KSFXDLIJLCXUFN-QZTJIDSGSA-N 1 2 333.432 1.235 20 30 EDEDLO C=CCN1CCN(C[NH+]2CCC(c3cc(C(=O)OC)on3)CC2)C1=O ZINC000872702029 597037639 /nfs/dbraw/zinc/03/76/39/597037639.db2.gz SNRSQBIKKOSKMT-UHFFFAOYSA-N 1 2 348.403 1.522 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000876037288 597069826 /nfs/dbraw/zinc/06/98/26/597069826.db2.gz BGKGUCGETRDYIQ-OAHLLOKOSA-N 1 2 346.456 1.178 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000874701376 597144941 /nfs/dbraw/zinc/14/49/41/597144941.db2.gz VCZDSJUFLZXJQB-HOCLYGCPSA-N 1 2 331.416 1.553 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000874701376 597144943 /nfs/dbraw/zinc/14/49/43/597144943.db2.gz VCZDSJUFLZXJQB-HOCLYGCPSA-N 1 2 331.416 1.553 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)[C@H](C)CO1 ZINC000876278158 597159363 /nfs/dbraw/zinc/15/93/63/597159363.db2.gz CPRYFJDTOOYWAT-HBUWYVDXSA-N 1 2 342.443 1.434 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)[C@H](C)CO1 ZINC000876278158 597159366 /nfs/dbraw/zinc/15/93/66/597159366.db2.gz CPRYFJDTOOYWAT-HBUWYVDXSA-N 1 2 342.443 1.434 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000875228489 597342101 /nfs/dbraw/zinc/34/21/01/597342101.db2.gz GGKPIWZRDDCSDL-AWEZNQCLSA-N 1 2 330.432 1.721 20 30 EDEDLO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000873823541 597405659 /nfs/dbraw/zinc/40/56/59/597405659.db2.gz ZIBABJMNVIBGLG-UHFFFAOYSA-N 1 2 346.435 1.055 20 30 EDEDLO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000873823541 597405660 /nfs/dbraw/zinc/40/56/60/597405660.db2.gz ZIBABJMNVIBGLG-UHFFFAOYSA-N 1 2 346.435 1.055 20 30 EDEDLO CO[C@H]1C[C@H]2CN(C(=O)NCC(C)(C)C#N)Cc3ccc[nH+]c3N2C1 ZINC000875479288 597445882 /nfs/dbraw/zinc/44/58/82/597445882.db2.gz YQPHLZIVCPTPLI-GJZGRUSLSA-N 1 2 343.431 1.750 20 30 EDEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2sccc2CC#N)[C@H](C)C1 ZINC000875527327 597465637 /nfs/dbraw/zinc/46/56/37/597465637.db2.gz BKNPMBXHVHQUJQ-GFCCVEGCSA-N 1 2 335.429 1.524 20 30 EDEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2sccc2CC#N)[C@H](C)C1 ZINC000875527327 597465639 /nfs/dbraw/zinc/46/56/39/597465639.db2.gz BKNPMBXHVHQUJQ-GFCCVEGCSA-N 1 2 335.429 1.524 20 30 EDEDLO Cn1ncc2cc(C[NH+]3CCN(c4cnccc4C#N)CC3)cnc21 ZINC000877546409 597533268 /nfs/dbraw/zinc/53/32/68/597533268.db2.gz JTCGEVVCWSSSOQ-UHFFFAOYSA-N 1 2 333.399 1.557 20 30 EDEDLO C#C[C@H]1COCCN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000877585127 597538725 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C#CC[NH+]1CCC(NS(=O)(=O)c2cc3cn[nH]c3cc2C)CC1 ZINC000921437368 697612735 /nfs/dbraw/zinc/61/27/35/697612735.db2.gz VVDZBUJMHDKSQZ-UHFFFAOYSA-N 1 2 332.429 1.247 20 30 EDEDLO CC(=O)c1ccc(NC(=O)CO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000179925287 698465820 /nfs/dbraw/zinc/46/58/20/698465820.db2.gz GWRLGDPYFBQMAE-UHFFFAOYSA-N 1 2 326.356 1.754 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4c3O[C@H](C)C4)CC2)C1 ZINC000941489267 701556683 /nfs/dbraw/zinc/55/66/83/701556683.db2.gz DDPDBUCPPYIUDS-OAHLLOKOSA-N 1 2 339.439 1.085 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)C1 ZINC000939103273 699166401 /nfs/dbraw/zinc/16/64/01/699166401.db2.gz PLCQZIVHMVPCJY-QWHCGFSZSA-N 1 2 333.436 1.428 20 30 EDEDLO C=CCOc1ccc(C(=O)NCC2C[NH+](Cc3ccnn3C)C2)cc1 ZINC001031778598 699177973 /nfs/dbraw/zinc/17/79/73/699177973.db2.gz QPBIFJNQNQWGBX-UHFFFAOYSA-N 1 2 340.427 1.847 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CCCCO3)CC2)C1 ZINC000941586961 701591075 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/nfs/dbraw/zinc/54/28/54/701542854.db2.gz GPCOTOYSUVYGRM-UHFFFAOYSA-N 1 2 340.471 1.129 20 30 EDEDLO O=C(C#CC1CC1)N1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000944383567 701856695 /nfs/dbraw/zinc/85/66/95/701856695.db2.gz PZPQNGZHRKYKBQ-UHFFFAOYSA-N 1 2 340.427 1.207 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001032202401 701919784 /nfs/dbraw/zinc/91/97/84/701919784.db2.gz OUMBESXWOLMLCE-OAHLLOKOSA-N 1 2 341.883 1.824 20 30 EDEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047348 702012351 /nfs/dbraw/zinc/01/23/51/702012351.db2.gz PYFWGUPLYBWJSC-WBVHZDCISA-N 1 2 337.427 1.226 20 30 EDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047348 702012357 /nfs/dbraw/zinc/01/23/57/702012357.db2.gz PYFWGUPLYBWJSC-WBVHZDCISA-N 1 2 337.427 1.226 20 30 EDEDLO C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3cc2F)C1 ZINC001047453219 702203471 /nfs/dbraw/zinc/20/34/71/702203471.db2.gz GTGUZUXRBWKGCY-ROUUACIJSA-N 1 2 326.371 1.729 20 30 EDEDLO C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3ccccc3cc2F)C1 ZINC001047453219 702203475 /nfs/dbraw/zinc/20/34/75/702203475.db2.gz GTGUZUXRBWKGCY-ROUUACIJSA-N 1 2 326.371 1.729 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)o1 ZINC000941962687 702247344 /nfs/dbraw/zinc/24/73/44/702247344.db2.gz GNASHAOIQFUWNY-YGRLFVJLSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)o1 ZINC000941962687 702247348 /nfs/dbraw/zinc/24/73/48/702247348.db2.gz GNASHAOIQFUWNY-YGRLFVJLSA-N 1 2 328.376 1.218 20 30 EDEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ncccc2C)nn1 ZINC001032671353 706675421 /nfs/dbraw/zinc/67/54/21/706675421.db2.gz NVQXREQKTCFAHZ-GJZGRUSLSA-N 1 2 338.415 1.266 20 30 EDEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ncccc2C)nn1 ZINC001032671353 706675424 /nfs/dbraw/zinc/67/54/24/706675424.db2.gz NVQXREQKTCFAHZ-GJZGRUSLSA-N 1 2 338.415 1.266 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C[C@H]2C)cn1 ZINC000944213166 702541419 /nfs/dbraw/zinc/54/14/19/702541419.db2.gz BRLNYXFHVIMPFH-MLGOLLRUSA-N 1 2 338.415 1.130 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)[nH]3)C[C@H]2C)cn1 ZINC000944213166 702541422 /nfs/dbraw/zinc/54/14/22/702541422.db2.gz BRLNYXFHVIMPFH-MLGOLLRUSA-N 1 2 338.415 1.130 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)C[C@@H]2C)cn1 ZINC000944213667 702542162 /nfs/dbraw/zinc/54/21/62/702542162.db2.gz FWSDBGPKHMEOIJ-LRDDRELGSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)C[C@@H]2C)cn1 ZINC000944213667 702542164 /nfs/dbraw/zinc/54/21/64/702542164.db2.gz FWSDBGPKHMEOIJ-LRDDRELGSA-N 1 2 339.399 1.395 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000942364770 702875038 /nfs/dbraw/zinc/87/50/38/702875038.db2.gz JMYBVPAUPWRFDC-HUUCEWRRSA-N 1 2 330.432 1.908 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](CNC(=O)C#CC2CC2)CC1 ZINC001060769237 703099270 /nfs/dbraw/zinc/09/92/70/703099270.db2.gz CCQUBALLNWGNCW-WKILWMFISA-N 1 2 342.443 1.465 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@H]2C)CC1 ZINC000942599762 703114792 /nfs/dbraw/zinc/11/47/92/703114792.db2.gz FEVTURPAOWVVMM-PBHICJAKSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)C[C@H]2C)CC1 ZINC000942599762 703114793 /nfs/dbraw/zinc/11/47/93/703114793.db2.gz FEVTURPAOWVVMM-PBHICJAKSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cn(CC)nn3)C[C@H]2C)C1 ZINC000942608270 703124182 /nfs/dbraw/zinc/12/41/82/703124182.db2.gz SHLPWSQXABFROV-ZBFHGGJFSA-N 1 2 331.464 1.981 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cn(CC)nn3)C[C@H]2C)C1 ZINC000942608270 703124183 /nfs/dbraw/zinc/12/41/83/703124183.db2.gz SHLPWSQXABFROV-ZBFHGGJFSA-N 1 2 331.464 1.981 20 30 EDEDLO CC(=O)N1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032212890 703938319 /nfs/dbraw/zinc/93/83/19/703938319.db2.gz RRYSYDIIXPKZBF-GOSISDBHSA-N 1 2 340.427 1.117 20 30 EDEDLO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033061675 703977041 /nfs/dbraw/zinc/97/70/41/703977041.db2.gz PWIMMLBNJJUZBX-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033061675 703977045 /nfs/dbraw/zinc/97/70/45/703977045.db2.gz PWIMMLBNJJUZBX-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033087585 704161251 /nfs/dbraw/zinc/16/12/51/704161251.db2.gz WUYUXLWSWVWALE-ZACQAIPSSA-N 1 2 332.448 1.434 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033087585 704161252 /nfs/dbraw/zinc/16/12/52/704161252.db2.gz WUYUXLWSWVWALE-ZACQAIPSSA-N 1 2 332.448 1.434 20 30 EDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000922780452 704333284 /nfs/dbraw/zinc/33/32/84/704333284.db2.gz BTEJWUGAQSNIQS-OAHLLOKOSA-N 1 2 334.395 1.607 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC000944998089 704906460 /nfs/dbraw/zinc/90/64/60/704906460.db2.gz IUZVCZJJLSNJGW-UHFFFAOYSA-N 1 2 344.459 1.924 20 30 EDEDLO Cc1nc[nH]c1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001032229679 704967026 /nfs/dbraw/zinc/96/70/26/704967026.db2.gz DNUWQYOFAKPQEF-UHFFFAOYSA-N 1 2 326.375 1.571 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C(N)=O)c2)C1 ZINC001032617907 705646307 /nfs/dbraw/zinc/64/63/07/705646307.db2.gz ZYXXEWXXWNHDEE-IRXDYDNUSA-N 1 2 339.439 1.927 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C(N)=O)c2)C1 ZINC001032617907 705646310 /nfs/dbraw/zinc/64/63/10/705646310.db2.gz ZYXXEWXXWNHDEE-IRXDYDNUSA-N 1 2 339.439 1.927 20 30 EDEDLO C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC000998316567 705737098 /nfs/dbraw/zinc/73/70/98/705737098.db2.gz PHSJVOGURUYGGU-MQYQWHSLSA-N 1 2 337.383 1.356 20 30 EDEDLO Cc1nn[nH]c1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC000999862661 707501288 /nfs/dbraw/zinc/50/12/88/707501288.db2.gz DYPJJRJCBGDLHN-OAHLLOKOSA-N 1 2 342.378 1.518 20 30 EDEDLO COCc1noc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001004855901 707474423 /nfs/dbraw/zinc/47/44/23/707474423.db2.gz SLNNSAOVWBDHNK-UKRRQHHQSA-N 1 2 346.431 1.489 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](n2cc(CNC(C)=O)nn2)C1 ZINC000999937383 707578108 /nfs/dbraw/zinc/57/81/08/707578108.db2.gz IHSXEXLLGFCTAU-LBPRGKRZSA-N 1 2 328.214 1.070 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](n2cc(CNC(C)=O)nn2)C1 ZINC000999937383 707578111 /nfs/dbraw/zinc/57/81/11/707578111.db2.gz IHSXEXLLGFCTAU-LBPRGKRZSA-N 1 2 328.214 1.070 20 30 EDEDLO CCc1nc[nH]c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032757458 707847304 /nfs/dbraw/zinc/84/73/04/707847304.db2.gz SKBQSTVSQAWRHK-HOTGVXAUSA-N 1 2 335.411 1.943 20 30 EDEDLO CCc1nc[nH]c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032757458 707847310 /nfs/dbraw/zinc/84/73/10/707847310.db2.gz SKBQSTVSQAWRHK-HOTGVXAUSA-N 1 2 335.411 1.943 20 30 EDEDLO N#Cc1cnc(NC[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)cn1 ZINC001060944803 708011814 /nfs/dbraw/zinc/01/18/14/708011814.db2.gz YBWFXFPBTVOQCT-ZDUSSCGKSA-N 1 2 347.382 1.570 20 30 EDEDLO C#CCCCC(=O)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001060988252 708101548 /nfs/dbraw/zinc/10/15/48/708101548.db2.gz MDWQFRWEYAKUBP-UHFFFAOYSA-N 1 2 328.416 1.138 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2ccnn2C)CC1 ZINC001005167151 708103687 /nfs/dbraw/zinc/10/36/87/708103687.db2.gz HTWLXGQPKPVYMR-UHFFFAOYSA-N 1 2 341.253 1.865 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3c(cnn3C)c2)C1 ZINC001033528441 708147483 /nfs/dbraw/zinc/14/74/83/708147483.db2.gz AUZGGXZIMKUYMN-AWEZNQCLSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3c(cnn3C)c2)C1 ZINC001033528441 708147487 /nfs/dbraw/zinc/14/74/87/708147487.db2.gz AUZGGXZIMKUYMN-AWEZNQCLSA-N 1 2 333.823 1.867 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CNc2ccc(C#N)cn2)C1 ZINC001061004133 708148582 /nfs/dbraw/zinc/14/85/82/708148582.db2.gz FWEUFRUXBHENHD-HIFRSBDPSA-N 1 2 338.415 1.816 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CNc2ccc(C#N)cn2)C1 ZINC001061004133 708148585 /nfs/dbraw/zinc/14/85/85/708148585.db2.gz FWEUFRUXBHENHD-HIFRSBDPSA-N 1 2 338.415 1.816 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cnc(C)cn3)C2)nc1 ZINC001033595092 708292655 /nfs/dbraw/zinc/29/26/55/708292655.db2.gz ACPXWVWNIGBYPA-KRWDZBQOSA-N 1 2 335.411 1.508 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)nc1 ZINC001033595092 708292657 /nfs/dbraw/zinc/29/26/57/708292657.db2.gz ACPXWVWNIGBYPA-KRWDZBQOSA-N 1 2 335.411 1.508 20 30 EDEDLO CCc1nnc(C[NH+]2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)o1 ZINC001005227307 708306790 /nfs/dbraw/zinc/30/67/90/708306790.db2.gz SJLBRPXLOVMWQL-UHFFFAOYSA-N 1 2 342.403 1.568 20 30 EDEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CC[NH+](Cc2nccn2C)CC1 ZINC001005258613 708441198 /nfs/dbraw/zinc/44/11/98/708441198.db2.gz FFTPLLQFXRQDIY-UHFFFAOYSA-N 1 2 326.404 1.356 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2COCCO2)C1 ZINC001033760083 708639975 /nfs/dbraw/zinc/63/99/75/708639975.db2.gz DBKAURAXJVKYIJ-OLZOCXBDSA-N 1 2 347.253 1.233 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2COCCO2)C1 ZINC001033760083 708639976 /nfs/dbraw/zinc/63/99/76/708639976.db2.gz DBKAURAXJVKYIJ-OLZOCXBDSA-N 1 2 347.253 1.233 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001033796933 708727655 /nfs/dbraw/zinc/72/76/55/708727655.db2.gz WENSNUYLYKANSX-CQSZACIVSA-N 1 2 341.419 1.234 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001033796933 708727657 /nfs/dbraw/zinc/72/76/57/708727657.db2.gz WENSNUYLYKANSX-CQSZACIVSA-N 1 2 341.419 1.234 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C)n[nH]2)cc1C#N ZINC001038080310 708820531 /nfs/dbraw/zinc/82/05/31/708820531.db2.gz CDUNGNUAYAWXHH-HNNXBMFYSA-N 1 2 339.399 1.603 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C)n[nH]2)cc1C#N ZINC001038080310 708820536 /nfs/dbraw/zinc/82/05/36/708820536.db2.gz CDUNGNUAYAWXHH-HNNXBMFYSA-N 1 2 339.399 1.603 20 30 EDEDLO CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@H]1CCN(CC#N)C1 ZINC001033839554 708869751 /nfs/dbraw/zinc/86/97/51/708869751.db2.gz XNCDPIDLCCUUAR-IXDOHACOSA-N 1 2 341.459 1.600 20 30 EDEDLO CCN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033887987 708997473 /nfs/dbraw/zinc/99/74/73/708997473.db2.gz MHMOWTRSOWWDNC-MRXNPFEDSA-N 1 2 341.390 1.532 20 30 EDEDLO CCN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033887987 708997474 /nfs/dbraw/zinc/99/74/74/708997474.db2.gz MHMOWTRSOWWDNC-MRXNPFEDSA-N 1 2 341.390 1.532 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H](Nc2nccnc2C#N)C1 ZINC001061096793 709041976 /nfs/dbraw/zinc/04/19/76/709041976.db2.gz XVKDFBVSHBSYHN-CHWSQXEVSA-N 1 2 339.403 1.164 20 30 EDEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3cnc(C)cn3)C2)nc1 ZINC001034022390 709275750 /nfs/dbraw/zinc/27/57/50/709275750.db2.gz HPQONMDHTLCNGU-GOSISDBHSA-N 1 2 349.438 1.898 20 30 EDEDLO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)nc1 ZINC001034022390 709275752 /nfs/dbraw/zinc/27/57/52/709275752.db2.gz HPQONMDHTLCNGU-GOSISDBHSA-N 1 2 349.438 1.898 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001002761426 709370249 /nfs/dbraw/zinc/37/02/49/709370249.db2.gz GALVLUIACCTKLT-DNVCBOLYSA-N 1 2 344.459 1.622 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001034117789 709380227 /nfs/dbraw/zinc/38/02/27/709380227.db2.gz PUULRPCNZLSMDO-LLVKDONJSA-N 1 2 327.226 1.903 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001034117789 709380230 /nfs/dbraw/zinc/38/02/30/709380230.db2.gz PUULRPCNZLSMDO-LLVKDONJSA-N 1 2 327.226 1.903 20 30 EDEDLO Cc1nnc([C@H](C)[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001034165515 709439101 /nfs/dbraw/zinc/43/91/01/709439101.db2.gz WTXBHIIFTXLGJO-SMDDNHRTSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1nnc([C@H](C)[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001034165515 709439103 /nfs/dbraw/zinc/43/91/03/709439103.db2.gz WTXBHIIFTXLGJO-SMDDNHRTSA-N 1 2 342.403 1.923 20 30 EDEDLO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccsc1C#N ZINC000922027371 709453226 /nfs/dbraw/zinc/45/32/26/709453226.db2.gz XBAWWBPJODIKKC-GFCCVEGCSA-N 1 2 327.475 1.971 20 30 EDEDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccsc1C#N ZINC000922027371 709453227 /nfs/dbraw/zinc/45/32/27/709453227.db2.gz XBAWWBPJODIKKC-GFCCVEGCSA-N 1 2 327.475 1.971 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001034233092 709592904 /nfs/dbraw/zinc/59/29/04/709592904.db2.gz LIWUSBWJCWIDNY-GFCCVEGCSA-N 1 2 342.241 1.157 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001034233092 709592905 /nfs/dbraw/zinc/59/29/05/709592905.db2.gz LIWUSBWJCWIDNY-GFCCVEGCSA-N 1 2 342.241 1.157 20 30 EDEDLO CN(c1ccc(C#N)nc1)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001061220660 709786515 /nfs/dbraw/zinc/78/65/15/709786515.db2.gz JPTGKAGNPSTCBG-MRXNPFEDSA-N 1 2 338.415 1.357 20 30 EDEDLO C=CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001061744579 709868814 /nfs/dbraw/zinc/86/88/14/709868814.db2.gz IVFKLUXESSWKFB-CQSZACIVSA-N 1 2 348.447 1.207 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@@H+](Cc3ccn(C)n3)C2)c1 ZINC001034393073 709926889 /nfs/dbraw/zinc/92/68/89/709926889.db2.gz QSNYOMMQQFGEKQ-KRWDZBQOSA-N 1 2 337.427 1.581 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CCCC[N@H+](Cc3ccn(C)n3)C2)c1 ZINC001034393073 709926891 /nfs/dbraw/zinc/92/68/91/709926891.db2.gz QSNYOMMQQFGEKQ-KRWDZBQOSA-N 1 2 337.427 1.581 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cnns2)C1 ZINC001034405346 709950094 /nfs/dbraw/zinc/95/00/94/709950094.db2.gz AFCXXRZKPPQNIF-CFVMTHIKSA-N 1 2 336.461 1.600 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cnns2)C1 ZINC001034405346 709950096 /nfs/dbraw/zinc/95/00/96/709950096.db2.gz AFCXXRZKPPQNIF-CFVMTHIKSA-N 1 2 336.461 1.600 20 30 EDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001061750350 709957200 /nfs/dbraw/zinc/95/72/00/709957200.db2.gz VJMXYQXIPRIXIG-OAHLLOKOSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001061750350 709957203 /nfs/dbraw/zinc/95/72/03/709957203.db2.gz VJMXYQXIPRIXIG-OAHLLOKOSA-N 1 2 348.447 1.288 20 30 EDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000922241003 710498989 /nfs/dbraw/zinc/49/89/89/710498989.db2.gz GSOMXPCRTGXGJH-SJLPKXTDSA-N 1 2 342.443 1.956 20 30 EDEDLO COc1ccc(C[NH+]2CCC(NC(=O)c3ncn[nH]3)CC2)cc1C#N ZINC001003812960 710578969 /nfs/dbraw/zinc/57/89/69/710578969.db2.gz AFRNXABLPSVATR-UHFFFAOYSA-N 1 2 340.387 1.079 20 30 EDEDLO COc1ccc(C[NH+]2CCC(NC(=O)c3nc[nH]n3)CC2)cc1C#N ZINC001003812960 710578970 /nfs/dbraw/zinc/57/89/70/710578970.db2.gz AFRNXABLPSVATR-UHFFFAOYSA-N 1 2 340.387 1.079 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC001061770483 710607242 /nfs/dbraw/zinc/60/72/42/710607242.db2.gz KQUFXBCENIRXJU-RBSFLKMASA-N 1 2 336.399 1.423 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC001061770483 710607245 /nfs/dbraw/zinc/60/72/45/710607245.db2.gz KQUFXBCENIRXJU-RBSFLKMASA-N 1 2 336.399 1.423 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)[nH]n2)C1 ZINC001032892779 710633651 /nfs/dbraw/zinc/63/36/51/710633651.db2.gz WFSQXUATOZPGIH-SNVBAGLBSA-N 1 2 341.209 1.237 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)[nH]n2)C1 ZINC001032892779 710633652 /nfs/dbraw/zinc/63/36/52/710633652.db2.gz WFSQXUATOZPGIH-SNVBAGLBSA-N 1 2 341.209 1.237 20 30 EDEDLO N#Cc1nccc(N2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001061774269 710653509 /nfs/dbraw/zinc/65/35/09/710653509.db2.gz NIUMNXGSMLFBDV-GFCCVEGCSA-N 1 2 347.382 1.481 20 30 EDEDLO CN(C(=O)[C@H]1COCCO1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032920110 710768376 /nfs/dbraw/zinc/76/83/76/710768376.db2.gz MYDCGQGAOVVFSZ-DOTOQJQBSA-N 1 2 347.390 1.145 20 30 EDEDLO CN(C(=O)[C@H]1COCCO1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032920110 710768382 /nfs/dbraw/zinc/76/83/82/710768382.db2.gz MYDCGQGAOVVFSZ-DOTOQJQBSA-N 1 2 347.390 1.145 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC001061795945 710939978 /nfs/dbraw/zinc/93/99/78/710939978.db2.gz ACNNPJZOAUAEOE-CVEARBPZSA-N 1 2 348.447 1.219 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922325102 711021083 /nfs/dbraw/zinc/02/10/83/711021083.db2.gz XNPULMXNBPODMX-IUODEOHRSA-N 1 2 338.477 1.985 20 30 EDEDLO CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(C#N)c1O ZINC000925359009 711372351 /nfs/dbraw/zinc/37/23/51/711372351.db2.gz JSFYFQMLJQNKDA-OAHLLOKOSA-N 1 2 337.445 1.730 20 30 EDEDLO COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)on1 ZINC001033022595 711373989 /nfs/dbraw/zinc/37/39/89/711373989.db2.gz OSBAEENHTYZCLO-GFCCVEGCSA-N 1 2 329.360 1.229 20 30 EDEDLO COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)on1 ZINC001033022595 711373992 /nfs/dbraw/zinc/37/39/92/711373992.db2.gz OSBAEENHTYZCLO-GFCCVEGCSA-N 1 2 329.360 1.229 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCNC(=O)CC2)CC1 ZINC001004498144 711886394 /nfs/dbraw/zinc/88/63/94/711886394.db2.gz NBIFRTDNZZMWFO-HZPDHXFCSA-N 1 2 332.448 1.129 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCNC(=O)CC2)CC1 ZINC001004498144 711886396 /nfs/dbraw/zinc/88/63/96/711886396.db2.gz NBIFRTDNZZMWFO-HZPDHXFCSA-N 1 2 332.448 1.129 20 30 EDEDLO Cn1c(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cccc1=O ZINC001004542694 711953842 /nfs/dbraw/zinc/95/38/42/711953842.db2.gz NBHQALRYRNIGBY-OAHLLOKOSA-N 1 2 328.416 1.225 20 30 EDEDLO Cn1c(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cccc1=O ZINC001004542694 711953844 /nfs/dbraw/zinc/95/38/44/711953844.db2.gz NBHQALRYRNIGBY-OAHLLOKOSA-N 1 2 328.416 1.225 20 30 EDEDLO CCCN1C[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CC1=O ZINC001004581464 712014015 /nfs/dbraw/zinc/01/40/15/712014015.db2.gz TVODKTJAYQZHPG-DLBZAZTESA-N 1 2 346.475 1.471 20 30 EDEDLO CCCN1C[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CC1=O ZINC001004581464 712014017 /nfs/dbraw/zinc/01/40/17/712014017.db2.gz TVODKTJAYQZHPG-DLBZAZTESA-N 1 2 346.475 1.471 20 30 EDEDLO COCc1nocc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004599220 712043027 /nfs/dbraw/zinc/04/30/27/712043027.db2.gz ZAYQWAYQCKADTB-MRXNPFEDSA-N 1 2 332.404 1.661 20 30 EDEDLO COCc1nocc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004599220 712043031 /nfs/dbraw/zinc/04/30/31/712043031.db2.gz ZAYQWAYQCKADTB-MRXNPFEDSA-N 1 2 332.404 1.661 20 30 EDEDLO Cc1cnn(CCC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1 ZINC001004618515 712079168 /nfs/dbraw/zinc/07/91/68/712079168.db2.gz FPQUXFOREJRQJO-QGZVFWFLSA-N 1 2 329.448 1.808 20 30 EDEDLO Cc1cnn(CCC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1 ZINC001004618515 712079170 /nfs/dbraw/zinc/07/91/70/712079170.db2.gz FPQUXFOREJRQJO-QGZVFWFLSA-N 1 2 329.448 1.808 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001033168956 712316701 /nfs/dbraw/zinc/31/67/01/712316701.db2.gz HSHUQDXOWDTMOP-SNVBAGLBSA-N 1 2 343.225 1.479 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001033168956 712316703 /nfs/dbraw/zinc/31/67/03/712316703.db2.gz HSHUQDXOWDTMOP-SNVBAGLBSA-N 1 2 343.225 1.479 20 30 EDEDLO N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000557747749 306233807 /nfs/dbraw/zinc/23/38/07/306233807.db2.gz ACMPAIQLIZBDNL-CQSZACIVSA-N 1 2 336.399 1.445 20 30 EDEDLO C[C@H](CNC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000328916239 539377882 /nfs/dbraw/zinc/37/78/82/539377882.db2.gz KCQXFKMVWXKOEU-RBSFLKMASA-N 1 2 327.469 1.804 20 30 EDEDLO CN1C(=O)CC[C@H]1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329241219 539422421 /nfs/dbraw/zinc/42/24/21/539422421.db2.gz NKDUJTNEUYSKPU-AWEZNQCLSA-N 1 2 343.387 1.608 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000102178589 219189515 /nfs/dbraw/zinc/18/95/15/219189515.db2.gz KRBBCEHSHSXPNQ-NSHDSACASA-N 1 2 349.822 1.625 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000102178589 219189516 /nfs/dbraw/zinc/18/95/16/219189516.db2.gz KRBBCEHSHSXPNQ-NSHDSACASA-N 1 2 349.822 1.625 20 30 EDEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000103493970 219306499 /nfs/dbraw/zinc/30/64/99/219306499.db2.gz UTABCWUQOLCFEF-MRXNPFEDSA-N 1 2 344.459 1.217 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000562254054 306293109 /nfs/dbraw/zinc/29/31/09/306293109.db2.gz SGSHVRFAJFQSIM-DZGCQCFKSA-N 1 2 344.415 1.894 20 30 EDEDLO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000078519431 138257672 /nfs/dbraw/zinc/25/76/72/138257672.db2.gz ZWDIHVRAXIGGMW-XJKSGUPXSA-N 1 2 349.456 1.024 20 30 EDEDLO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000078519431 138257673 /nfs/dbraw/zinc/25/76/73/138257673.db2.gz ZWDIHVRAXIGGMW-XJKSGUPXSA-N 1 2 349.456 1.024 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093077779 138291621 /nfs/dbraw/zinc/29/16/21/138291621.db2.gz CTHRBVUDNKNALD-CQSZACIVSA-N 1 2 330.432 1.716 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1csc(-c2cccs2)n1 ZINC000111182272 237111624 /nfs/dbraw/zinc/11/16/24/237111624.db2.gz TXEDSGWJNKYTDG-UHFFFAOYSA-N 1 2 338.458 1.993 20 30 EDEDLO C[C@]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)(C(N)=O)c1cccc(Cl)c1 ZINC000177416377 237381848 /nfs/dbraw/zinc/38/18/48/237381848.db2.gz RDIGFVQYNUIADD-IAGOWNOFSA-N 1 2 348.834 1.439 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000177648696 237397923 /nfs/dbraw/zinc/39/79/23/237397923.db2.gz YOVBYEGKKVGEGZ-UHFFFAOYSA-N 1 2 338.411 1.659 20 30 EDEDLO COc1ccccc1C[N@H+](CCO)CC(=O)NC1(C#N)CCCCC1 ZINC000264089315 249332960 /nfs/dbraw/zinc/33/29/60/249332960.db2.gz PRXGLVDWXPXWAT-UHFFFAOYSA-N 1 2 345.443 1.832 20 30 EDEDLO COc1ccccc1C[N@@H+](CCO)CC(=O)NC1(C#N)CCCCC1 ZINC000264089315 249332964 /nfs/dbraw/zinc/33/29/64/249332964.db2.gz PRXGLVDWXPXWAT-UHFFFAOYSA-N 1 2 345.443 1.832 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000266383455 249348304 /nfs/dbraw/zinc/34/83/04/249348304.db2.gz IPWSGDOMGZUZGT-CYBMUJFWSA-N 1 2 335.379 1.680 20 30 EDEDLO C=CCCN(C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000342545061 250006850 /nfs/dbraw/zinc/00/68/50/250006850.db2.gz ZIGVVMCKUODMMP-UHFFFAOYSA-N 1 2 345.447 1.338 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CC#N)c2)C1 ZINC000354896643 250101911 /nfs/dbraw/zinc/10/19/11/250101911.db2.gz JEYBXTPROPGKSJ-HNNXBMFYSA-N 1 2 329.400 1.367 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CC#N)c2)C1 ZINC000354896643 250101913 /nfs/dbraw/zinc/10/19/13/250101913.db2.gz JEYBXTPROPGKSJ-HNNXBMFYSA-N 1 2 329.400 1.367 20 30 EDEDLO C=C[C@@H](CO)NC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000354655536 250096652 /nfs/dbraw/zinc/09/66/52/250096652.db2.gz CLVXTVXAQRRXQD-LBPRGKRZSA-N 1 2 327.340 1.476 20 30 EDEDLO C=C[C@H](CO)NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000358704355 250143678 /nfs/dbraw/zinc/14/36/78/250143678.db2.gz MDNXXWDLPGXGMX-OLZOCXBDSA-N 1 2 339.386 1.775 20 30 EDEDLO C=C[C@H](CO)NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000358704355 250143682 /nfs/dbraw/zinc/14/36/82/250143682.db2.gz MDNXXWDLPGXGMX-OLZOCXBDSA-N 1 2 339.386 1.775 20 30 EDEDLO CC(C)(C#N)CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000358616832 250139617 /nfs/dbraw/zinc/13/96/17/250139617.db2.gz IPJOVZOGMGKYIS-UHFFFAOYSA-N 1 2 330.432 1.942 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000358707838 250142696 /nfs/dbraw/zinc/14/26/96/250142696.db2.gz MQWUFEGJVLLFKI-CQSZACIVSA-N 1 2 349.479 1.311 20 30 EDEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000373511971 250240647 /nfs/dbraw/zinc/24/06/47/250240647.db2.gz FGNFOIQZXWYBLF-IHRRRGAJSA-N 1 2 349.456 1.304 20 30 EDEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000373511971 250240651 /nfs/dbraw/zinc/24/06/51/250240651.db2.gz FGNFOIQZXWYBLF-IHRRRGAJSA-N 1 2 349.456 1.304 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000374334687 250258899 /nfs/dbraw/zinc/25/88/99/250258899.db2.gz XULUIWDAZVZTBT-SFHVURJKSA-N 1 2 348.406 1.994 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000374334687 250258905 /nfs/dbraw/zinc/25/89/05/250258905.db2.gz XULUIWDAZVZTBT-SFHVURJKSA-N 1 2 348.406 1.994 20 30 EDEDLO C=CCc1cc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc(OC)c1O ZINC000377705103 250291525 /nfs/dbraw/zinc/29/15/25/250291525.db2.gz RPSDGMDXBAJCQR-GOEBONIOSA-N 1 2 337.441 1.748 20 30 EDEDLO C=CCc1cc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc(OC)c1O ZINC000377705103 250291528 /nfs/dbraw/zinc/29/15/28/250291528.db2.gz RPSDGMDXBAJCQR-GOEBONIOSA-N 1 2 337.441 1.748 20 30 EDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)nn1 ZINC000424297874 252192828 /nfs/dbraw/zinc/19/28/28/252192828.db2.gz RFKCKNOSHQNZKC-LBPRGKRZSA-N 1 2 335.433 1.686 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374024991 285040251 /nfs/dbraw/zinc/04/02/51/285040251.db2.gz HIOVTOVHKWDHSJ-XLMAVXFVSA-N 1 2 337.464 1.653 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374024991 285040254 /nfs/dbraw/zinc/04/02/54/285040254.db2.gz HIOVTOVHKWDHSJ-XLMAVXFVSA-N 1 2 337.464 1.653 20 30 EDEDLO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)n1 ZINC000459484552 254979809 /nfs/dbraw/zinc/97/98/09/254979809.db2.gz SYFZEKHQNZCOGN-CMPLNLGQSA-N 1 2 336.417 1.469 20 30 EDEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)Cc3[nH]cc[nH+]3)C2)n1 ZINC000471970174 255018173 /nfs/dbraw/zinc/01/81/73/255018173.db2.gz MWNXFNKNYDLRTC-OAHLLOKOSA-N 1 2 338.415 1.860 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 ZINC000491066946 255117625 /nfs/dbraw/zinc/11/76/25/255117625.db2.gz FOPKRBZIBSWGJT-LBPRGKRZSA-N 1 2 348.472 1.548 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCO2)CC1 ZINC000491069149 255117890 /nfs/dbraw/zinc/11/78/90/255117890.db2.gz TZJJEZONNSNRHN-MRXNPFEDSA-N 1 2 329.448 1.480 20 30 EDEDLO C#CCN1CCN(C(=O)C[NH2+]C2(c3nc(C)cs3)CCC2)CC1 ZINC000491039117 255115107 /nfs/dbraw/zinc/11/51/07/255115107.db2.gz NFPYFWULXCKBSY-UHFFFAOYSA-N 1 2 332.473 1.198 20 30 EDEDLO C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)cc1 ZINC000491041163 255115727 /nfs/dbraw/zinc/11/57/27/255115727.db2.gz XVJXAHACXNHANR-CQSZACIVSA-N 1 2 346.412 1.202 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(C(=O)NC)c2)n1 ZINC000491636885 255135760 /nfs/dbraw/zinc/13/57/60/255135760.db2.gz UFPREKDHTBJXTB-UHFFFAOYSA-N 1 2 340.427 1.525 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(C(=O)NC)c2)n1 ZINC000491636885 255135762 /nfs/dbraw/zinc/13/57/62/255135762.db2.gz UFPREKDHTBJXTB-UHFFFAOYSA-N 1 2 340.427 1.525 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000491726572 255145303 /nfs/dbraw/zinc/14/53/03/255145303.db2.gz KCGTYFYRNBPSJP-BRWVUGGUSA-N 1 2 333.476 1.342 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000491726572 255145306 /nfs/dbraw/zinc/14/53/06/255145306.db2.gz KCGTYFYRNBPSJP-BRWVUGGUSA-N 1 2 333.476 1.342 20 30 EDEDLO Cc1nn(C)c(Cl)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000154897785 224323720 /nfs/dbraw/zinc/32/37/20/224323720.db2.gz OAKQYGUJDGQKTC-NSHDSACASA-N 1 2 345.838 1.754 20 30 EDEDLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000154897785 224323723 /nfs/dbraw/zinc/32/37/23/224323723.db2.gz OAKQYGUJDGQKTC-NSHDSACASA-N 1 2 345.838 1.754 20 30 EDEDLO O=C(C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1)NC1CC1 ZINC000155189192 224374161 /nfs/dbraw/zinc/37/41/61/224374161.db2.gz YPMOOYHETPISMP-UHFFFAOYSA-N 1 2 331.847 1.588 20 30 EDEDLO Cn1c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cccc1=O ZINC000270095702 140045117 /nfs/dbraw/zinc/04/51/17/140045117.db2.gz DIGWRMQYKRHIGK-UHFFFAOYSA-N 1 2 336.395 1.215 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270990791 140215013 /nfs/dbraw/zinc/21/50/13/140215013.db2.gz YAWVHJXHUQBWCB-CZUORRHYSA-N 1 2 326.400 1.582 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270990791 140215015 /nfs/dbraw/zinc/21/50/15/140215015.db2.gz YAWVHJXHUQBWCB-CZUORRHYSA-N 1 2 326.400 1.582 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000331595219 141053946 /nfs/dbraw/zinc/05/39/46/141053946.db2.gz YTWGKCHCYILKRI-CQSZACIVSA-N 1 2 332.429 1.325 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000331595219 141053948 /nfs/dbraw/zinc/05/39/48/141053948.db2.gz YTWGKCHCYILKRI-CQSZACIVSA-N 1 2 332.429 1.325 20 30 EDEDLO COc1ccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1C#N ZINC000333566927 141337985 /nfs/dbraw/zinc/33/79/85/141337985.db2.gz PABGAGILGQWDLY-QGZVFWFLSA-N 1 2 334.441 1.968 20 30 EDEDLO COc1ccc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1C#N ZINC000333566927 141337986 /nfs/dbraw/zinc/33/79/86/141337986.db2.gz PABGAGILGQWDLY-QGZVFWFLSA-N 1 2 334.441 1.968 20 30 EDEDLO CN(C)c1ccc(CNS(=O)(=O)Cc2cc(C#N)ccc2F)c[nH+]1 ZINC000347044987 143275797 /nfs/dbraw/zinc/27/57/97/143275797.db2.gz AYVQMPUKIOHYIP-UHFFFAOYSA-N 1 2 348.403 1.778 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)[C@@H]1C ZINC000347189006 143292943 /nfs/dbraw/zinc/29/29/43/143292943.db2.gz CWXVTRBGDSWYFI-NQBHXWOUSA-N 1 2 333.388 1.979 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)[C@@H]1C ZINC000347189006 143292944 /nfs/dbraw/zinc/29/29/44/143292944.db2.gz CWXVTRBGDSWYFI-NQBHXWOUSA-N 1 2 333.388 1.979 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000572845636 306600911 /nfs/dbraw/zinc/60/09/11/306600911.db2.gz IHAYBJLMBBIGQN-JCGIZDLHSA-N 1 2 327.428 1.841 20 30 EDEDLO CC[C@H](C(=O)OC)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000352661239 149106020 /nfs/dbraw/zinc/10/60/20/149106020.db2.gz RJLMXEUTMHLUPS-MRXNPFEDSA-N 1 2 331.416 1.506 20 30 EDEDLO CCCN(CCC)C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355119021 150125134 /nfs/dbraw/zinc/12/51/34/150125134.db2.gz CMGUEIHQLGMDOJ-UHFFFAOYSA-N 1 2 329.448 1.724 20 30 EDEDLO Cn1ncc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1C#N ZINC000355468155 150281254 /nfs/dbraw/zinc/28/12/54/150281254.db2.gz RUCMKRIAOVHSPO-LLVKDONJSA-N 1 2 326.404 1.531 20 30 EDEDLO CCOCc1nc([C@H](C)NCc2c[nH+]c3ccc(C#N)cn23)no1 ZINC000356284479 150583310 /nfs/dbraw/zinc/58/33/10/150583310.db2.gz PNFWCUPYDOCZRQ-NSHDSACASA-N 1 2 326.360 1.976 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000364570077 153275074 /nfs/dbraw/zinc/27/50/74/153275074.db2.gz PBQFPHXHYABPKX-AWEZNQCLSA-N 1 2 330.413 1.604 20 30 EDEDLO CCN1CCO[C@@H](C[NH+]2CCN(c3nc(C)ccc3C#N)CC2)C1 ZINC000378330300 158143418 /nfs/dbraw/zinc/14/34/18/158143418.db2.gz GJSBWYAQVPTBAT-QGZVFWFLSA-N 1 2 329.448 1.104 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3cc(C#N)ccc3F)C[C@H]21 ZINC000408021046 158243145 /nfs/dbraw/zinc/24/31/45/158243145.db2.gz GDPMDZGLVBXGQU-HZPDHXFCSA-N 1 2 332.379 1.312 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3cc(C#N)ccc3F)C[C@H]21 ZINC000408021046 158243146 /nfs/dbraw/zinc/24/31/46/158243146.db2.gz GDPMDZGLVBXGQU-HZPDHXFCSA-N 1 2 332.379 1.312 20 30 EDEDLO Cc1cc(C#N)cc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000408104456 158267226 /nfs/dbraw/zinc/26/72/26/158267226.db2.gz QBJGCHRZAREZNR-OAHLLOKOSA-N 1 2 327.432 1.395 20 30 EDEDLO CNC(=O)C[NH+]1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000352305765 162107444 /nfs/dbraw/zinc/10/74/44/162107444.db2.gz TXEJRKTWXZFOOI-UHFFFAOYSA-N 1 2 345.353 1.253 20 30 EDEDLO N#Cc1csc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c1 ZINC000133201975 287535748 /nfs/dbraw/zinc/53/57/48/287535748.db2.gz AUVMYBHMLCZPFI-UHFFFAOYSA-N 1 2 327.413 1.436 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)c1C#N ZINC000441769182 269920021 /nfs/dbraw/zinc/92/00/21/269920021.db2.gz VFHRJPXJTVCCFU-UHFFFAOYSA-N 1 2 337.383 1.583 20 30 EDEDLO N#Cc1cc(C(=O)NCC[NH+]2CCOCC2)cnc1C(F)(F)F ZINC000292811728 270010761 /nfs/dbraw/zinc/01/07/61/270010761.db2.gz XGUHYVLULURJOW-UHFFFAOYSA-N 1 2 328.294 1.034 20 30 EDEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCC[C@H](C(N)=O)C2)nn1 ZINC000301991919 270011555 /nfs/dbraw/zinc/01/15/55/270011555.db2.gz MYYGRXGTSXFCAD-ZDUSSCGKSA-N 1 2 337.387 1.057 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1 ZINC000412103939 270011776 /nfs/dbraw/zinc/01/17/76/270011776.db2.gz LYCGQTURXHMQPC-GXTWGEPZSA-N 1 2 325.206 1.496 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1 ZINC000412103939 270011777 /nfs/dbraw/zinc/01/17/77/270011777.db2.gz LYCGQTURXHMQPC-GXTWGEPZSA-N 1 2 325.206 1.496 20 30 EDEDLO N#Cc1csc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)n1 ZINC000520471019 270015312 /nfs/dbraw/zinc/01/53/12/270015312.db2.gz VSDISYNSOBNZQT-UHFFFAOYSA-N 1 2 327.413 1.559 20 30 EDEDLO N#Cc1csc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)n1 ZINC000520471019 270015313 /nfs/dbraw/zinc/01/53/13/270015313.db2.gz VSDISYNSOBNZQT-UHFFFAOYSA-N 1 2 327.413 1.559 20 30 EDEDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000294771243 266256178 /nfs/dbraw/zinc/25/61/78/266256178.db2.gz KDIBFGGKXUSKGZ-QHCPKHFHSA-N 1 2 334.441 1.834 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000279584941 267157912 /nfs/dbraw/zinc/15/79/12/267157912.db2.gz UTCYCGUQIULIST-CABCVRRESA-N 1 2 330.432 1.981 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CCO2 ZINC000280449916 267247285 /nfs/dbraw/zinc/24/72/85/267247285.db2.gz NPHZEQYMPTWRMI-ACJLOTCBSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CCO2 ZINC000280449916 267247288 /nfs/dbraw/zinc/24/72/88/267247288.db2.gz NPHZEQYMPTWRMI-ACJLOTCBSA-N 1 2 340.383 1.988 20 30 EDEDLO CCn1nc(C)c(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1C ZINC000471808277 267261077 /nfs/dbraw/zinc/26/10/77/267261077.db2.gz DLZRCCBQFPYPIK-UHFFFAOYSA-N 1 2 341.463 1.756 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCO[C@]4(CCCOC4)C3)C2=O)cc1 ZINC000285443927 268126958 /nfs/dbraw/zinc/12/69/58/268126958.db2.gz XTEWUOFHBDJPDF-PKOBYXMFSA-N 1 2 341.411 1.545 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCO[C@]4(CCCOC4)C3)C2=O)cc1 ZINC000285443927 268126960 /nfs/dbraw/zinc/12/69/60/268126960.db2.gz XTEWUOFHBDJPDF-PKOBYXMFSA-N 1 2 341.411 1.545 20 30 EDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000443322695 268158674 /nfs/dbraw/zinc/15/86/74/268158674.db2.gz TZIDSTOYTFQRFG-UHFFFAOYSA-N 1 2 348.771 1.754 20 30 EDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000443083269 268159637 /nfs/dbraw/zinc/15/96/37/268159637.db2.gz CDKCAUNHSBZKRH-UHFFFAOYSA-N 1 2 345.877 1.539 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@H]2CCCC2(F)F)c1=O ZINC000514952660 268179440 /nfs/dbraw/zinc/17/94/40/268179440.db2.gz YSFBYXWZAPUSSY-OAHLLOKOSA-N 1 2 337.370 1.988 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000286632734 268194051 /nfs/dbraw/zinc/19/40/51/268194051.db2.gz NFZMFWJQKJFCPH-UHFFFAOYSA-N 1 2 345.424 1.700 20 30 EDEDLO N#Cc1ccc(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)cc1F ZINC000456835503 268231261 /nfs/dbraw/zinc/23/12/61/268231261.db2.gz KVRWHQXNISGVRN-QGZVFWFLSA-N 1 2 331.391 1.814 20 30 EDEDLO N#Cc1ccc(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)cc1F ZINC000456835503 268231264 /nfs/dbraw/zinc/23/12/64/268231264.db2.gz KVRWHQXNISGVRN-QGZVFWFLSA-N 1 2 331.391 1.814 20 30 EDEDLO N#Cc1nccnc1NCc1ccc[nH+]c1N1CCC[C@@H](C(N)=O)C1 ZINC000301206742 268331985 /nfs/dbraw/zinc/33/19/85/268331985.db2.gz RZOMKSOOUAVITO-CYBMUJFWSA-N 1 2 337.387 1.057 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CCN1C ZINC000275561897 268360783 /nfs/dbraw/zinc/36/07/83/268360783.db2.gz PVQYJGYTHQUDGY-HNNXBMFYSA-N 1 2 342.378 1.951 20 30 EDEDLO C#CCC1(C(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)CCCCC1 ZINC000372693788 277671014 /nfs/dbraw/zinc/67/10/14/277671014.db2.gz JZHQQCVWBPSZSY-HXUWFJFHSA-N 1 2 348.487 1.958 20 30 EDEDLO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329287004 279133269 /nfs/dbraw/zinc/13/32/69/279133269.db2.gz OZAZHLPTNWXBST-YUELXQCFSA-N 1 2 348.451 1.130 20 30 EDEDLO CC[N@H+](Cc1nc(N)nc(N(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000083168723 279243101 /nfs/dbraw/zinc/24/31/01/279243101.db2.gz RSTWUADESZXZPN-LBPRGKRZSA-N 1 2 325.420 1.975 20 30 EDEDLO CC[N@@H+](Cc1nc(N)nc(N(C)C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000083168723 279243105 /nfs/dbraw/zinc/24/31/05/279243105.db2.gz RSTWUADESZXZPN-LBPRGKRZSA-N 1 2 325.420 1.975 20 30 EDEDLO CCN1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1=O ZINC000190199318 279291160 /nfs/dbraw/zinc/29/11/60/279291160.db2.gz JPKOUZCMQSWMEF-INIZCTEOSA-N 1 2 326.400 1.218 20 30 EDEDLO CCN1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1=O ZINC000190199318 279291161 /nfs/dbraw/zinc/29/11/61/279291161.db2.gz JPKOUZCMQSWMEF-INIZCTEOSA-N 1 2 326.400 1.218 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000177000208 294985169 /nfs/dbraw/zinc/98/51/69/294985169.db2.gz LVBXJNODJALBBE-ZDUSSCGKSA-N 1 2 333.413 1.564 20 30 EDEDLO COC(=O)c1cccc(C[NH2+][C@@H](c2nncn2C)C(C)C)c1C#N ZINC000551993682 306172973 /nfs/dbraw/zinc/17/29/73/306172973.db2.gz RBLOTBUJQCGHLH-OAHLLOKOSA-N 1 2 327.388 1.960 20 30 EDEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000556944613 306221635 /nfs/dbraw/zinc/22/16/35/306221635.db2.gz BDFHPNZJNJSHKW-MRXNPFEDSA-N 1 2 341.459 1.866 20 30 EDEDLO N#CCC(=O)N1CCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000493698538 447373369 /nfs/dbraw/zinc/37/33/69/447373369.db2.gz WUWNVDYDYOUCJT-ZZXKWVIFSA-N 1 2 349.394 1.470 20 30 EDEDLO C=CCC[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)C(=O)OCC ZINC000456615032 447423660 /nfs/dbraw/zinc/42/36/60/447423660.db2.gz WBODTFPSMVFBBQ-CYBMUJFWSA-N 1 2 332.391 1.978 20 30 EDEDLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@@]3(C#N)C[C@H]3C)CC2)c1 ZINC000450141856 447429373 /nfs/dbraw/zinc/42/93/73/447429373.db2.gz APGQIYAWSHALQX-DNVCBOLYSA-N 1 2 343.427 1.768 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000044743606 440883439 /nfs/dbraw/zinc/88/34/39/440883439.db2.gz ROAXYKNVVUNZCH-CQSZACIVSA-N 1 2 332.423 1.730 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000045555232 441001769 /nfs/dbraw/zinc/00/17/69/441001769.db2.gz XKOLLRJRPGNHEY-UHFFFAOYSA-N 1 2 345.403 1.457 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000046586475 441115310 /nfs/dbraw/zinc/11/53/10/441115310.db2.gz NLBXSWNBFQVLRA-SFHVURJKSA-N 1 2 330.432 1.569 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1ccc(F)cc1 ZINC000060855786 441259152 /nfs/dbraw/zinc/25/91/52/441259152.db2.gz ZRRXEXUXCNMMRR-UHFFFAOYSA-N 1 2 335.379 1.279 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000024371351 441309795 /nfs/dbraw/zinc/30/97/95/441309795.db2.gz YEEOCPJQPXMTTC-LBPRGKRZSA-N 1 2 335.404 1.536 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC000024371351 441309799 /nfs/dbraw/zinc/30/97/99/441309799.db2.gz YEEOCPJQPXMTTC-LBPRGKRZSA-N 1 2 335.404 1.536 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000064432509 441378513 /nfs/dbraw/zinc/37/85/13/441378513.db2.gz AUJNXPINIOFBSS-UHFFFAOYSA-N 1 2 330.812 1.809 20 30 EDEDLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000026958308 441391737 /nfs/dbraw/zinc/39/17/37/441391737.db2.gz VXSZGVJRSKZKRH-OAHLLOKOSA-N 1 2 337.445 1.193 20 30 EDEDLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000026958308 441391739 /nfs/dbraw/zinc/39/17/39/441391739.db2.gz VXSZGVJRSKZKRH-OAHLLOKOSA-N 1 2 337.445 1.193 20 30 EDEDLO CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)C[C@H](C)C#N ZINC000064249010 441368058 /nfs/dbraw/zinc/36/80/58/441368058.db2.gz VDCVCHMFPVDOLY-MRXNPFEDSA-N 1 2 348.491 1.719 20 30 EDEDLO CC[N@H+](CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)C[C@H](C)C#N ZINC000064249010 441368064 /nfs/dbraw/zinc/36/80/64/441368064.db2.gz VDCVCHMFPVDOLY-MRXNPFEDSA-N 1 2 348.491 1.719 20 30 EDEDLO N#C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCN1Cc1ccccc1 ZINC000074673239 441455319 /nfs/dbraw/zinc/45/53/19/441455319.db2.gz JCALAXWVILQVLE-GOSISDBHSA-N 1 2 337.427 1.900 20 30 EDEDLO COc1cccc(N2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1 ZINC000030963748 441508995 /nfs/dbraw/zinc/50/89/95/441508995.db2.gz MFPUKNYNDOXKKL-LJQANCHMSA-N 1 2 342.443 1.626 20 30 EDEDLO COc1ccccc1C[NH+]1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000076343201 441632965 /nfs/dbraw/zinc/63/29/65/441632965.db2.gz JNKSXLZRZXJWFH-MRXNPFEDSA-N 1 2 344.459 1.573 20 30 EDEDLO COc1ccccc1CN1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000076343201 441632969 /nfs/dbraw/zinc/63/29/69/441632969.db2.gz JNKSXLZRZXJWFH-MRXNPFEDSA-N 1 2 344.459 1.573 20 30 EDEDLO CC(=O)NCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000076997244 441709118 /nfs/dbraw/zinc/70/91/18/441709118.db2.gz KAFDMUVCBLNDLQ-UHFFFAOYSA-N 1 2 348.834 1.998 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1 ZINC000121580358 441735529 /nfs/dbraw/zinc/73/55/29/441735529.db2.gz ZAHFIPIOVRGJOI-UHFFFAOYSA-N 1 2 345.428 1.178 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3c[nH]cn3)CC2)cc1 ZINC000121580358 441735532 /nfs/dbraw/zinc/73/55/32/441735532.db2.gz ZAHFIPIOVRGJOI-UHFFFAOYSA-N 1 2 345.428 1.178 20 30 EDEDLO CCc1cccc(NC(=O)C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115598857 441763944 /nfs/dbraw/zinc/76/39/44/441763944.db2.gz RMRYOKQJHDBMES-GOSISDBHSA-N 1 2 336.395 1.875 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000042331481 441724679 /nfs/dbraw/zinc/72/46/79/441724679.db2.gz IRPRJDKHHMEGMQ-CVEARBPZSA-N 1 2 337.464 1.123 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139012753 441803138 /nfs/dbraw/zinc/80/31/38/441803138.db2.gz MQIDBOHDMCDPNV-HIFRSBDPSA-N 1 2 341.415 1.375 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139012753 441803141 /nfs/dbraw/zinc/80/31/41/441803141.db2.gz MQIDBOHDMCDPNV-HIFRSBDPSA-N 1 2 341.415 1.375 20 30 EDEDLO N#CCCCCS(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000068898390 441865348 /nfs/dbraw/zinc/86/53/48/441865348.db2.gz CQHGHHIJTVXAJS-UHFFFAOYSA-N 1 2 327.475 1.719 20 30 EDEDLO N#CCCCCS(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000068898390 441865354 /nfs/dbraw/zinc/86/53/54/441865354.db2.gz CQHGHHIJTVXAJS-UHFFFAOYSA-N 1 2 327.475 1.719 20 30 EDEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)CCCCC#N)C[C@@H](C)O1 ZINC000068900952 441866328 /nfs/dbraw/zinc/86/63/28/441866328.db2.gz XBQDOYJISWFTKH-OAGGEKHMSA-N 1 2 343.493 1.584 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000143219116 441869772 /nfs/dbraw/zinc/86/97/72/441869772.db2.gz IFDMPYMWRNUTRG-GFCCVEGCSA-N 1 2 341.371 1.297 20 30 EDEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000122041770 441831131 /nfs/dbraw/zinc/83/11/31/441831131.db2.gz WJRSYWQWIVOOMW-CABCVRRESA-N 1 2 343.399 1.933 20 30 EDEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000122041770 441831134 /nfs/dbraw/zinc/83/11/34/441831134.db2.gz WJRSYWQWIVOOMW-CABCVRRESA-N 1 2 343.399 1.933 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C[C@@H]21 ZINC000159725402 441833256 /nfs/dbraw/zinc/83/32/56/441833256.db2.gz AKDQSYYLFQQRKS-JKSUJKDBSA-N 1 2 329.400 1.257 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C[C@@H]21 ZINC000159725402 441833260 /nfs/dbraw/zinc/83/32/60/441833260.db2.gz AKDQSYYLFQQRKS-JKSUJKDBSA-N 1 2 329.400 1.257 20 30 EDEDLO N#Cc1cccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000043329154 441835208 /nfs/dbraw/zinc/83/52/08/441835208.db2.gz JTFSLHBGINOOLX-QGZVFWFLSA-N 1 2 346.456 1.888 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000078803479 441974088 /nfs/dbraw/zinc/97/40/88/441974088.db2.gz AWFPRKGQRBWXSV-AWEZNQCLSA-N 1 2 341.415 1.704 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000078803479 441974090 /nfs/dbraw/zinc/97/40/90/441974090.db2.gz AWFPRKGQRBWXSV-AWEZNQCLSA-N 1 2 341.415 1.704 20 30 EDEDLO CCC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000161089050 441955166 /nfs/dbraw/zinc/95/51/66/441955166.db2.gz OWAXRGATAPNWJP-CQSZACIVSA-N 1 2 332.429 1.605 20 30 EDEDLO CCC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000161089050 441955171 /nfs/dbraw/zinc/95/51/71/441955171.db2.gz OWAXRGATAPNWJP-CQSZACIVSA-N 1 2 332.429 1.605 20 30 EDEDLO CCC(CC)n1nccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000120129563 442013901 /nfs/dbraw/zinc/01/39/01/442013901.db2.gz BAKBLNDWIKVTKX-UHFFFAOYSA-N 1 2 347.463 1.932 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(CC)c2)CC1 ZINC000126219698 442089721 /nfs/dbraw/zinc/08/97/21/442089721.db2.gz MFABMUYCIAYZSS-UHFFFAOYSA-N 1 2 341.455 1.075 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(CC)c2)CC1 ZINC000126219698 442089722 /nfs/dbraw/zinc/08/97/22/442089722.db2.gz MFABMUYCIAYZSS-UHFFFAOYSA-N 1 2 341.455 1.075 20 30 EDEDLO CCc1ccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000162594738 442106467 /nfs/dbraw/zinc/10/64/67/442106467.db2.gz YOTMGPCIZGCAOX-UHFFFAOYSA-N 1 2 329.444 1.866 20 30 EDEDLO COCCC[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000121066458 442172402 /nfs/dbraw/zinc/17/24/02/442172402.db2.gz VVCSXYLALVFGQX-KRWDZBQOSA-N 1 2 339.432 1.703 20 30 EDEDLO COCCC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000121066458 442172404 /nfs/dbraw/zinc/17/24/04/442172404.db2.gz VVCSXYLALVFGQX-KRWDZBQOSA-N 1 2 339.432 1.703 20 30 EDEDLO NC(CCO)=[NH+]OCC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000121379149 442209668 /nfs/dbraw/zinc/20/96/68/442209668.db2.gz JOYUTHJMHRHCOG-UHFFFAOYSA-N 1 2 337.273 1.132 20 30 EDEDLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000128242881 442254811 /nfs/dbraw/zinc/25/48/11/442254811.db2.gz YMQRYAKDYDBDAV-ZWNOBZJWSA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000128242881 442254812 /nfs/dbraw/zinc/25/48/12/442254812.db2.gz YMQRYAKDYDBDAV-ZWNOBZJWSA-N 1 2 343.836 1.209 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000128242538 442254976 /nfs/dbraw/zinc/25/49/76/442254976.db2.gz OAFSLFRCBLZDDO-HNNXBMFYSA-N 1 2 327.428 1.939 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)N2CCCCC2)c1 ZINC000128242538 442254979 /nfs/dbraw/zinc/25/49/79/442254979.db2.gz OAFSLFRCBLZDDO-HNNXBMFYSA-N 1 2 327.428 1.939 20 30 EDEDLO C=CCNc1ncc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)s1 ZINC000128717712 442284297 /nfs/dbraw/zinc/28/42/97/442284297.db2.gz XPPICPQXEBEDNB-UHFFFAOYSA-N 1 2 346.460 1.433 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178070164 442405562 /nfs/dbraw/zinc/40/55/62/442405562.db2.gz VCGVDTCRNZMBBI-UHFFFAOYSA-N 1 2 336.351 1.910 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000178468356 442436462 /nfs/dbraw/zinc/43/64/62/442436462.db2.gz FZOLXNXTFJSYDH-KBPBESRZSA-N 1 2 344.415 1.031 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178587608 442445548 /nfs/dbraw/zinc/44/55/48/442445548.db2.gz WJXSYGASJFWZAR-UHFFFAOYSA-N 1 2 326.375 1.994 20 30 EDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000134320157 442469103 /nfs/dbraw/zinc/46/91/03/442469103.db2.gz NVMRUNJDUABCMP-AWEZNQCLSA-N 1 2 325.409 1.599 20 30 EDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000134320157 442469106 /nfs/dbraw/zinc/46/91/06/442469106.db2.gz NVMRUNJDUABCMP-AWEZNQCLSA-N 1 2 325.409 1.599 20 30 EDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000134350590 442472721 /nfs/dbraw/zinc/47/27/21/442472721.db2.gz SAYJYTSFFBDADE-AWEZNQCLSA-N 1 2 325.409 1.599 20 30 EDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000134350590 442472724 /nfs/dbraw/zinc/47/27/24/442472724.db2.gz SAYJYTSFFBDADE-AWEZNQCLSA-N 1 2 325.409 1.599 20 30 EDEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000172799748 442544786 /nfs/dbraw/zinc/54/47/86/442544786.db2.gz MBRXLLCPQIYJDK-UHFFFAOYSA-N 1 2 348.366 1.260 20 30 EDEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2 ZINC000172799748 442544790 /nfs/dbraw/zinc/54/47/90/442544790.db2.gz MBRXLLCPQIYJDK-UHFFFAOYSA-N 1 2 348.366 1.260 20 30 EDEDLO CC(C)[C@@H](O)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000179230783 442601539 /nfs/dbraw/zinc/60/15/39/442601539.db2.gz DIHBRFGYMCWNCV-AWEZNQCLSA-N 1 2 328.416 1.663 20 30 EDEDLO CN1CCc2ccc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc21 ZINC000157713471 442606269 /nfs/dbraw/zinc/60/62/69/442606269.db2.gz QVJKKHGROXZCHA-UHFFFAOYSA-N 1 2 342.443 1.367 20 30 EDEDLO C=CC[N@H+](CCC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000181485121 442700107 /nfs/dbraw/zinc/70/01/07/442700107.db2.gz RLCAOXLDVXCJSR-MRXNPFEDSA-N 1 2 337.441 1.795 20 30 EDEDLO C=CC[N@@H+](CCC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000181485121 442700110 /nfs/dbraw/zinc/70/01/10/442700110.db2.gz RLCAOXLDVXCJSR-MRXNPFEDSA-N 1 2 337.441 1.795 20 30 EDEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1CCCS1(=O)=O ZINC000610967028 450395273 /nfs/dbraw/zinc/39/52/73/450395273.db2.gz NQMPMRRFODTFIW-IAGOWNOFSA-N 1 2 333.457 1.794 20 30 EDEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCN1CCCS1(=O)=O ZINC000610967028 450395276 /nfs/dbraw/zinc/39/52/76/450395276.db2.gz NQMPMRRFODTFIW-IAGOWNOFSA-N 1 2 333.457 1.794 20 30 EDEDLO COc1ccc([C@@H](NC(=O)NC[C@@H](C)C#N)c2[nH+]ccn2C)cc1 ZINC000182383482 442762581 /nfs/dbraw/zinc/76/25/81/442762581.db2.gz LSTLSDCHIBSHKG-SWLSCSKDSA-N 1 2 327.388 1.977 20 30 EDEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cn3cnc(C#N)n3)n2)C1 ZINC000193720380 442772865 /nfs/dbraw/zinc/77/28/65/442772865.db2.gz VQJZYJGPEROJCG-NSHDSACASA-N 1 2 345.432 1.477 20 30 EDEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cn3cnc(C#N)n3)n2)C1 ZINC000193720380 442772870 /nfs/dbraw/zinc/77/28/70/442772870.db2.gz VQJZYJGPEROJCG-NSHDSACASA-N 1 2 345.432 1.477 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248453601 442893328 /nfs/dbraw/zinc/89/33/28/442893328.db2.gz QQRWCYSTHOYIKB-UKRRQHHQSA-N 1 2 343.493 1.004 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248453601 442893333 /nfs/dbraw/zinc/89/33/33/442893333.db2.gz QQRWCYSTHOYIKB-UKRRQHHQSA-N 1 2 343.493 1.004 20 30 EDEDLO CCCN1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1=O ZINC000189390262 442937306 /nfs/dbraw/zinc/93/73/06/442937306.db2.gz JPBKZXGUZMZQBQ-HNNXBMFYSA-N 1 2 334.464 1.662 20 30 EDEDLO CCCN1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1=O ZINC000189390262 442937310 /nfs/dbraw/zinc/93/73/10/442937310.db2.gz JPBKZXGUZMZQBQ-HNNXBMFYSA-N 1 2 334.464 1.662 20 30 EDEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000266247075 443073435 /nfs/dbraw/zinc/07/34/35/443073435.db2.gz YYQLFCZAUOZSPK-OCCSQVGLSA-N 1 2 337.424 1.265 20 30 EDEDLO Cn1cc(-c2cc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)on2)cn1 ZINC000184986644 443112450 /nfs/dbraw/zinc/11/24/50/443112450.db2.gz GXPBTNKMLNGXMG-UHFFFAOYSA-N 1 2 349.398 1.664 20 30 EDEDLO C=CCN(CCOC)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000190753531 443176991 /nfs/dbraw/zinc/17/69/91/443176991.db2.gz WEDJSHXRVHXQJD-UHFFFAOYSA-N 1 2 342.399 1.687 20 30 EDEDLO COC(=O)C[NH+]1CCC(Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000185576561 443221669 /nfs/dbraw/zinc/22/16/69/443221669.db2.gz MXRUDTUOHDMTDH-UHFFFAOYSA-N 1 2 340.387 1.188 20 30 EDEDLO Cc1nc(N2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)cc[nH+]1 ZINC000185444292 443200744 /nfs/dbraw/zinc/20/07/44/443200744.db2.gz UOGSLBNPSHDQRD-UHFFFAOYSA-N 1 2 343.337 1.897 20 30 EDEDLO CCN(CCC#N)C(=O)CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264147631 443253105 /nfs/dbraw/zinc/25/31/05/443253105.db2.gz ZNTHWVQHFKKQNS-UHFFFAOYSA-N 1 2 331.342 1.639 20 30 EDEDLO N#Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000269264447 443257320 /nfs/dbraw/zinc/25/73/20/443257320.db2.gz BGFBOFILPNWNIA-GFCCVEGCSA-N 1 2 329.322 1.682 20 30 EDEDLO C=C1CC[NH+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)CC1 ZINC000264504402 443310515 /nfs/dbraw/zinc/31/05/15/443310515.db2.gz DFGUKTGCGSYKPI-QGZVFWFLSA-N 1 2 328.412 1.765 20 30 EDEDLO COc1cc(C[NH+]2CCN(c3nccnc3C#N)CC2)cc(OC)c1 ZINC000267007753 443312385 /nfs/dbraw/zinc/31/23/85/443312385.db2.gz FUFVDJBMPKLYHY-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272613223 443383019 /nfs/dbraw/zinc/38/30/19/443383019.db2.gz SSGOOUXUWVTTFV-CYBMUJFWSA-N 1 2 328.416 1.999 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000264706600 443383674 /nfs/dbraw/zinc/38/36/74/443383674.db2.gz CYYREVMOXQXRFN-UHFFFAOYSA-N 1 2 333.457 1.831 20 30 EDEDLO C=CCCC(=O)N1CC[NH+](CCNC(=O)c2ccc(OC)cc2)CC1 ZINC000264806418 443433331 /nfs/dbraw/zinc/43/33/31/443433331.db2.gz WHFQBSJGTQJJNR-UHFFFAOYSA-N 1 2 345.443 1.535 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000282882479 443459154 /nfs/dbraw/zinc/45/91/54/443459154.db2.gz PWNDAZYWTWOWCL-CYBMUJFWSA-N 1 2 337.449 1.108 20 30 EDEDLO Cn1cnc2cc(CN(CCC#N)CC[NH+]3CCOCC3)ccc21 ZINC000271774453 443514006 /nfs/dbraw/zinc/51/40/06/443514006.db2.gz FWQGEVJGMFUUTO-UHFFFAOYSA-N 1 2 327.432 1.621 20 30 EDEDLO Cc1ccnc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c1C#N ZINC000273053943 443529908 /nfs/dbraw/zinc/52/99/08/443529908.db2.gz RMSVKYVMYABCRA-UHFFFAOYSA-N 1 2 327.432 1.396 20 30 EDEDLO C#CCN(C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C1CC1 ZINC000274103596 443594961 /nfs/dbraw/zinc/59/49/61/443594961.db2.gz KKQRVKGFKRQARR-AWEZNQCLSA-N 1 2 328.420 1.294 20 30 EDEDLO C#CCN(C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)C1CC1 ZINC000274103596 443594966 /nfs/dbraw/zinc/59/49/66/443594966.db2.gz KKQRVKGFKRQARR-AWEZNQCLSA-N 1 2 328.420 1.294 20 30 EDEDLO C=CCOc1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000274214107 443598463 /nfs/dbraw/zinc/59/84/63/443598463.db2.gz LRHSBWDFGMHDCT-UHFFFAOYSA-N 1 2 341.429 1.682 20 30 EDEDLO COCCOCCOCCC/[NH+]=C/c1c(O)c(C)ncc1CO ZINC000274342977 443603140 /nfs/dbraw/zinc/60/31/40/443603140.db2.gz BNPPBVDAUCKMKN-GZTJUZNOSA-N 1 2 326.393 1.077 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000280275370 443688516 /nfs/dbraw/zinc/68/85/16/443688516.db2.gz WBAOQFPCFFRKOW-GOSISDBHSA-N 1 2 342.439 1.958 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000280275370 443688518 /nfs/dbraw/zinc/68/85/18/443688518.db2.gz WBAOQFPCFFRKOW-GOSISDBHSA-N 1 2 342.439 1.958 20 30 EDEDLO C=CCCN(C)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000276292591 443682579 /nfs/dbraw/zinc/68/25/79/443682579.db2.gz UHMLQSIYESKQQK-UHFFFAOYSA-N 1 2 330.432 1.545 20 30 EDEDLO C=CCCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000280452855 443714192 /nfs/dbraw/zinc/71/41/92/443714192.db2.gz LKLQPKXDMKCJFN-UHFFFAOYSA-N 1 2 331.416 1.540 20 30 EDEDLO CC1(C)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000280479016 443721514 /nfs/dbraw/zinc/72/15/14/443721514.db2.gz LEQQVAHEKAZPMP-IBGZPJMESA-N 1 2 343.427 1.444 20 30 EDEDLO CC1(C)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000280479016 443721516 /nfs/dbraw/zinc/72/15/16/443721516.db2.gz LEQQVAHEKAZPMP-IBGZPJMESA-N 1 2 343.427 1.444 20 30 EDEDLO CC[C@](C)(C#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000286927693 443729754 /nfs/dbraw/zinc/72/97/54/443729754.db2.gz ZSEKTMZUEDEINN-YQQAZPJKSA-N 1 2 335.427 1.731 20 30 EDEDLO CC[C@](C)(C#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000286927693 443729757 /nfs/dbraw/zinc/72/97/57/443729757.db2.gz ZSEKTMZUEDEINN-YQQAZPJKSA-N 1 2 335.427 1.731 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2ccccc2OCC#N)CCN1C ZINC000276516301 443731316 /nfs/dbraw/zinc/73/13/16/443731316.db2.gz CTFUHXGEKYHJIW-HNNXBMFYSA-N 1 2 339.399 1.451 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccnc(C#N)c1)C1CCOCC1 ZINC000287145136 443736087 /nfs/dbraw/zinc/73/60/87/443736087.db2.gz ZBKAJSQAYUZFRK-OAHLLOKOSA-N 1 2 325.372 1.584 20 30 EDEDLO CC1(C)C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000280588883 443736799 /nfs/dbraw/zinc/73/67/99/443736799.db2.gz UDRSOBKJLRNGIV-SFHVURJKSA-N 1 2 329.400 1.767 20 30 EDEDLO CC1(C)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000280588883 443736802 /nfs/dbraw/zinc/73/68/02/443736802.db2.gz UDRSOBKJLRNGIV-SFHVURJKSA-N 1 2 329.400 1.767 20 30 EDEDLO CN1CCO[C@@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000284693579 443783826 /nfs/dbraw/zinc/78/38/26/443783826.db2.gz IBYQNQQXGNTUTC-JKSUJKDBSA-N 1 2 348.834 1.555 20 30 EDEDLO CN1CCO[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000284693579 443783831 /nfs/dbraw/zinc/78/38/31/443783831.db2.gz IBYQNQQXGNTUTC-JKSUJKDBSA-N 1 2 348.834 1.555 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000284693579 443783836 /nfs/dbraw/zinc/78/38/36/443783836.db2.gz IBYQNQQXGNTUTC-JKSUJKDBSA-N 1 2 348.834 1.555 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000284693579 443783838 /nfs/dbraw/zinc/78/38/38/443783838.db2.gz IBYQNQQXGNTUTC-JKSUJKDBSA-N 1 2 348.834 1.555 20 30 EDEDLO CN1C[C@@H]2[C@@H](CCC[N@@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000284769085 443787873 /nfs/dbraw/zinc/78/78/73/443787873.db2.gz GYIDNUABYAMLLQ-UKRRQHHQSA-N 1 2 346.818 1.703 20 30 EDEDLO CN1C[C@@H]2[C@@H](CCC[N@H+]2CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000284769085 443787878 /nfs/dbraw/zinc/78/78/78/443787878.db2.gz GYIDNUABYAMLLQ-UKRRQHHQSA-N 1 2 346.818 1.703 20 30 EDEDLO COCC[C@H]1COCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000291299536 443755490 /nfs/dbraw/zinc/75/54/90/443755490.db2.gz RYCMAWUBRILURA-ZWKOTPCHSA-N 1 2 343.427 1.791 20 30 EDEDLO COCC[C@H]1COCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000291299536 443755494 /nfs/dbraw/zinc/75/54/94/443755494.db2.gz RYCMAWUBRILURA-ZWKOTPCHSA-N 1 2 343.427 1.791 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000280852507 443758657 /nfs/dbraw/zinc/75/86/57/443758657.db2.gz YNYHFGKRVPDWTK-CXAGYDPISA-N 1 2 331.420 1.148 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000280852507 443758661 /nfs/dbraw/zinc/75/86/61/443758661.db2.gz YNYHFGKRVPDWTK-CXAGYDPISA-N 1 2 331.420 1.148 20 30 EDEDLO CO[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOC1 ZINC000276638801 443774325 /nfs/dbraw/zinc/77/43/25/443774325.db2.gz WDFOYKDHDHUEKE-SFHVURJKSA-N 1 2 329.400 1.008 20 30 EDEDLO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292068695 443775551 /nfs/dbraw/zinc/77/55/51/443775551.db2.gz CMYPEDWOYJJCEP-AWEZNQCLSA-N 1 2 327.837 1.677 20 30 EDEDLO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292068695 443775555 /nfs/dbraw/zinc/77/55/55/443775555.db2.gz CMYPEDWOYJJCEP-AWEZNQCLSA-N 1 2 327.837 1.677 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000284498441 443778174 /nfs/dbraw/zinc/77/81/74/443778174.db2.gz BKEFLIWKBFWLJF-UKRRQHHQSA-N 1 2 333.436 1.256 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000284498441 443778179 /nfs/dbraw/zinc/77/81/79/443778179.db2.gz BKEFLIWKBFWLJF-UKRRQHHQSA-N 1 2 333.436 1.256 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)cc1 ZINC000285043354 443833995 /nfs/dbraw/zinc/83/39/95/443833995.db2.gz PTFPQSQAFFZSEQ-UHFFFAOYSA-N 1 2 340.343 1.148 20 30 EDEDLO Cc1oc(NC(=O)CN2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(C#N)c1C ZINC000284965804 443800828 /nfs/dbraw/zinc/80/08/28/443800828.db2.gz XLZNUWCGYCAYLY-HUUCEWRRSA-N 1 2 332.404 1.112 20 30 EDEDLO Cc1oc(NC(=O)CN2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(C#N)c1C ZINC000284965804 443800831 /nfs/dbraw/zinc/80/08/31/443800831.db2.gz XLZNUWCGYCAYLY-HUUCEWRRSA-N 1 2 332.404 1.112 20 30 EDEDLO N#CCCN(CCN1CCc2ccccc21)CC[NH+]1CCOCC1 ZINC000292584048 443801567 /nfs/dbraw/zinc/80/15/67/443801567.db2.gz UPNWKNFJUVFIII-UHFFFAOYSA-N 1 2 328.460 1.597 20 30 EDEDLO N#CCC[N@H+](CCN1CCc2ccccc21)CCN1CCOCC1 ZINC000292584048 443801570 /nfs/dbraw/zinc/80/15/70/443801570.db2.gz UPNWKNFJUVFIII-UHFFFAOYSA-N 1 2 328.460 1.597 20 30 EDEDLO N#CCC[N@@H+](CCN1CCc2ccccc21)CCN1CCOCC1 ZINC000292584048 443801571 /nfs/dbraw/zinc/80/15/71/443801571.db2.gz UPNWKNFJUVFIII-UHFFFAOYSA-N 1 2 328.460 1.597 20 30 EDEDLO C#CCC(CC#C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000288343397 443850691 /nfs/dbraw/zinc/85/06/91/443850691.db2.gz YTEGCGLJWUSORB-UXHICEINSA-N 1 2 336.435 1.761 20 30 EDEDLO C#CCC(CC#C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000288343397 443850694 /nfs/dbraw/zinc/85/06/94/443850694.db2.gz YTEGCGLJWUSORB-UXHICEINSA-N 1 2 336.435 1.761 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000281233251 443855642 /nfs/dbraw/zinc/85/56/42/443855642.db2.gz FOJQYVJXDMZRCE-IUODEOHRSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000281233251 443855645 /nfs/dbraw/zinc/85/56/45/443855645.db2.gz FOJQYVJXDMZRCE-IUODEOHRSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCCc2ccccc2C)C1=O ZINC000281241502 443856895 /nfs/dbraw/zinc/85/68/95/443856895.db2.gz GEFOLSJGMHUBPD-AEFFLSMTSA-N 1 2 343.471 1.761 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCCc2ccccc2C)C1=O ZINC000281241502 443856899 /nfs/dbraw/zinc/85/68/99/443856899.db2.gz GEFOLSJGMHUBPD-AEFFLSMTSA-N 1 2 343.471 1.761 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000298760929 443860992 /nfs/dbraw/zinc/86/09/92/443860992.db2.gz XJZSZRCVQKLMIO-HOCLYGCPSA-N 1 2 346.431 1.368 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000298760929 443860996 /nfs/dbraw/zinc/86/09/96/443860996.db2.gz XJZSZRCVQKLMIO-HOCLYGCPSA-N 1 2 346.431 1.368 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)C2=Cc3ccccc3OC2)CC1 ZINC000276891281 443866579 /nfs/dbraw/zinc/86/65/79/443866579.db2.gz LHTKVBSAYYAOHN-UHFFFAOYSA-N 1 2 332.425 1.391 20 30 EDEDLO COC(=O)N1CCN(c2ccc(Nc3cnc(C#N)cn3)c[nH+]2)CC1 ZINC000292882901 443869573 /nfs/dbraw/zinc/86/95/73/443869573.db2.gz UXAOAYNSBXQFSE-UHFFFAOYSA-N 1 2 339.359 1.375 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)C1=O ZINC000281303587 443874046 /nfs/dbraw/zinc/87/40/46/443874046.db2.gz JZURYBRSDNWGAK-CJNGLKHVSA-N 1 2 326.400 1.604 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)C1=O ZINC000281303587 443874050 /nfs/dbraw/zinc/87/40/50/443874050.db2.gz JZURYBRSDNWGAK-CJNGLKHVSA-N 1 2 326.400 1.604 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3ccc(OCC#N)cc3)C[C@H]21 ZINC000285318828 443940318 /nfs/dbraw/zinc/94/03/18/443940318.db2.gz HYWULOSLVHASBF-IAGOWNOFSA-N 1 2 344.415 1.203 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3ccc(OCC#N)cc3)C[C@H]21 ZINC000285318828 443940322 /nfs/dbraw/zinc/94/03/22/443940322.db2.gz HYWULOSLVHASBF-IAGOWNOFSA-N 1 2 344.415 1.203 20 30 EDEDLO C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)n1cnc(C#N)n1 ZINC000538407601 320743428 /nfs/dbraw/zinc/74/34/28/320743428.db2.gz GYGUYNGRCMASTB-DOMZBBRYSA-N 1 2 335.371 1.350 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1)C1CC1 ZINC000281565423 443946090 /nfs/dbraw/zinc/94/60/90/443946090.db2.gz DANJYONKNJXJAI-JFIYKMOQSA-N 1 2 331.391 1.742 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1)C1CC1 ZINC000281565423 443946093 /nfs/dbraw/zinc/94/60/93/443946093.db2.gz DANJYONKNJXJAI-JFIYKMOQSA-N 1 2 331.391 1.742 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285264040 443918172 /nfs/dbraw/zinc/91/81/72/443918172.db2.gz DSULSQSZPFDIGY-WMZOPIPTSA-N 1 2 343.427 1.313 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285264040 443918178 /nfs/dbraw/zinc/91/81/78/443918178.db2.gz DSULSQSZPFDIGY-WMZOPIPTSA-N 1 2 343.427 1.313 20 30 EDEDLO C=C(C)CCc1noc([C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000285275959 443923297 /nfs/dbraw/zinc/92/32/97/443923297.db2.gz ZCTRKLCVQXLAJO-CQSZACIVSA-N 1 2 334.420 1.226 20 30 EDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000299160197 443970907 /nfs/dbraw/zinc/97/09/07/443970907.db2.gz KPSQWVFQZDJLIH-UONOGXRCSA-N 1 2 332.404 1.044 20 30 EDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000299160197 443970908 /nfs/dbraw/zinc/97/09/08/443970908.db2.gz KPSQWVFQZDJLIH-UONOGXRCSA-N 1 2 332.404 1.044 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288784272 443982188 /nfs/dbraw/zinc/98/21/88/443982188.db2.gz JLHUCPKIZJWKJG-KRWDZBQOSA-N 1 2 329.400 1.914 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288784272 443982192 /nfs/dbraw/zinc/98/21/92/443982192.db2.gz JLHUCPKIZJWKJG-KRWDZBQOSA-N 1 2 329.400 1.914 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000281719451 443987993 /nfs/dbraw/zinc/98/79/93/443987993.db2.gz FBVODVLMTSWAAT-MSOLQXFVSA-N 1 2 344.459 1.890 20 30 EDEDLO C=CCCOCCNC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000285625971 444051967 /nfs/dbraw/zinc/05/19/67/444051967.db2.gz SORLPHRSHQQDJF-HNNXBMFYSA-N 1 2 336.436 1.780 20 30 EDEDLO CO[C@@H](C)C[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000285689032 444073604 /nfs/dbraw/zinc/07/36/04/444073604.db2.gz NQPHBNKRMLPYEW-AAEUAGOBSA-N 1 2 328.372 1.478 20 30 EDEDLO CO[C@@H](C)C[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000285689032 444073606 /nfs/dbraw/zinc/07/36/06/444073606.db2.gz NQPHBNKRMLPYEW-AAEUAGOBSA-N 1 2 328.372 1.478 20 30 EDEDLO CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560989653 321030322 /nfs/dbraw/zinc/03/03/22/321030322.db2.gz KTJXWGROKINWFJ-UHFFFAOYSA-N 1 2 333.351 1.803 20 30 EDEDLO Cn1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1Cl ZINC000294320614 444112333 /nfs/dbraw/zinc/11/23/33/444112333.db2.gz JYXJROMHLHLKSE-UHFFFAOYSA-N 1 2 343.818 1.903 20 30 EDEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OC[C@H]3CNC(=O)O3)c2)n1 ZINC000282216656 444116489 /nfs/dbraw/zinc/11/64/89/444116489.db2.gz JSZGGIQLLHEYIB-OAHLLOKOSA-N 1 2 343.387 1.294 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1(C)C ZINC000296131734 444207461 /nfs/dbraw/zinc/20/74/61/444207461.db2.gz MYEXYBGTUBNMBB-AWEZNQCLSA-N 1 2 337.383 1.840 20 30 EDEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)nn3)CC2)cc1F ZINC000301828917 444192522 /nfs/dbraw/zinc/19/25/22/444192522.db2.gz GMJTZBXFABXVMU-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000289736090 444196890 /nfs/dbraw/zinc/19/68/90/444196890.db2.gz JIQZGRNJCMTCIU-RVKKMQEKSA-N 1 2 342.443 1.680 20 30 EDEDLO N#Cc1cccc(-n2ccc(-c3nc([C@@H]4C[NH+]5CCN4CC5)no3)n2)c1 ZINC000289761199 444199955 /nfs/dbraw/zinc/19/99/55/444199955.db2.gz PDOZATQFKKXQDT-INIZCTEOSA-N 1 2 347.382 1.466 20 30 EDEDLO C=CCNc1ncc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)s1 ZINC000290360312 444271833 /nfs/dbraw/zinc/27/18/33/444271833.db2.gz GNQVGGISKNATSH-CHWSQXEVSA-N 1 2 336.461 1.676 20 30 EDEDLO C[N@H+](CCc1ccncc1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290033450 444233440 /nfs/dbraw/zinc/23/34/40/444233440.db2.gz UFSMAGTYSPMPLN-UHFFFAOYSA-N 1 2 330.413 1.296 20 30 EDEDLO C[N@@H+](CCc1ccncc1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290033450 444233442 /nfs/dbraw/zinc/23/34/42/444233442.db2.gz UFSMAGTYSPMPLN-UHFFFAOYSA-N 1 2 330.413 1.296 20 30 EDEDLO CC(C)(C)n1ncnc1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000328768670 444345640 /nfs/dbraw/zinc/34/56/40/444345640.db2.gz GDDPGDVEECSJFZ-UHFFFAOYSA-N 1 2 338.456 1.148 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000297901050 444352557 /nfs/dbraw/zinc/35/25/57/444352557.db2.gz YQGBAENBJKLPCD-HZPDHXFCSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000297901050 444352564 /nfs/dbraw/zinc/35/25/64/444352564.db2.gz YQGBAENBJKLPCD-HZPDHXFCSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@H](CCS(C)(=O)=O)NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000331046956 444373075 /nfs/dbraw/zinc/37/30/75/444373075.db2.gz VFXIDVPTMPZNKP-OCCSQVGLSA-N 1 2 341.433 1.272 20 30 EDEDLO CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ncccn2)C1 ZINC000328927144 444406504 /nfs/dbraw/zinc/40/65/04/444406504.db2.gz WXCRUFRNIAEVOF-CHWSQXEVSA-N 1 2 329.408 1.944 20 30 EDEDLO C=CCCCNC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000340462502 444387838 /nfs/dbraw/zinc/38/78/38/444387838.db2.gz ZGDOLGBTGVTATB-UHFFFAOYSA-N 1 2 326.400 1.630 20 30 EDEDLO C#C[C@H](NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(C)C ZINC000298023244 444389743 /nfs/dbraw/zinc/38/97/43/444389743.db2.gz PYIRROJIAQKRNR-ULQDDVLXSA-N 1 2 349.454 1.632 20 30 EDEDLO C#C[C@H](NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(C)C ZINC000298023244 444389745 /nfs/dbraw/zinc/38/97/45/444389745.db2.gz PYIRROJIAQKRNR-ULQDDVLXSA-N 1 2 349.454 1.632 20 30 EDEDLO CC(C)c1nc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cs1 ZINC000331117627 444401484 /nfs/dbraw/zinc/40/14/84/444401484.db2.gz WCRDAQXMVUOXEQ-HNNXBMFYSA-N 1 2 327.450 1.654 20 30 EDEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C[C@H](C)O1 ZINC000331258392 444458449 /nfs/dbraw/zinc/45/84/49/444458449.db2.gz FPTINMDXCYPECE-GUTXKFCHSA-N 1 2 341.452 1.474 20 30 EDEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C[C@H](C)O1 ZINC000331258392 444458450 /nfs/dbraw/zinc/45/84/50/444458450.db2.gz FPTINMDXCYPECE-GUTXKFCHSA-N 1 2 341.452 1.474 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccnc(OC(F)F)c2)C(N)=O)cc1 ZINC000340630975 444464669 /nfs/dbraw/zinc/46/46/69/444464669.db2.gz YVMXRZJZMLZEJY-CQSZACIVSA-N 1 2 332.310 1.871 20 30 EDEDLO O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328678567 444427219 /nfs/dbraw/zinc/42/72/19/444427219.db2.gz BFPGLYXMOVISQP-ZBFHGGJFSA-N 1 2 347.463 1.745 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC(F)F)nc3)C[C@@H]21 ZINC000328686591 444429850 /nfs/dbraw/zinc/42/98/50/444429850.db2.gz GKMFEQIGDLRWDC-WDEREUQCSA-N 1 2 328.319 1.243 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC(F)F)nc3)C[C@@H]21 ZINC000328686591 444429855 /nfs/dbraw/zinc/42/98/55/444429855.db2.gz GKMFEQIGDLRWDC-WDEREUQCSA-N 1 2 328.319 1.243 20 30 EDEDLO CN(C[C@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ncccc1C#N ZINC000337843230 444433282 /nfs/dbraw/zinc/43/32/82/444433282.db2.gz GKLWTNJSRONBLR-GOEBONIOSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ncccc1C#N ZINC000337843230 444433284 /nfs/dbraw/zinc/43/32/84/444433284.db2.gz GKLWTNJSRONBLR-GOEBONIOSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc(C#N)cn1 ZINC000337876468 444445087 /nfs/dbraw/zinc/44/50/87/444445087.db2.gz ZEAYWCWEUSMILD-ZBFHGGJFSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccnn1C)c1ccc(C#N)cn1 ZINC000337876468 444445090 /nfs/dbraw/zinc/44/50/90/444445090.db2.gz ZEAYWCWEUSMILD-ZBFHGGJFSA-N 1 2 328.395 1.736 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2nccn3ccnc23)CCO1 ZINC000329195022 444497533 /nfs/dbraw/zinc/49/75/33/444497533.db2.gz SFGFSFUBTQBIAX-YPMHNXCESA-N 1 2 326.360 1.688 20 30 EDEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000580892778 322109215 /nfs/dbraw/zinc/10/92/15/322109215.db2.gz KYYZSAPKJKGTJY-UHFFFAOYSA-N 1 2 347.378 1.946 20 30 EDEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000580892778 322109218 /nfs/dbraw/zinc/10/92/18/322109218.db2.gz KYYZSAPKJKGTJY-UHFFFAOYSA-N 1 2 347.378 1.946 20 30 EDEDLO C[C@H](CC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC000581013568 322125016 /nfs/dbraw/zinc/12/50/16/322125016.db2.gz BHTXHZFUWPOWGG-UKRRQHHQSA-N 1 2 325.372 1.781 20 30 EDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000332160703 444503161 /nfs/dbraw/zinc/50/31/61/444503161.db2.gz YSNBXMZNHMPHJD-QZTJIDSGSA-N 1 2 342.443 1.116 20 30 EDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000332160703 444503163 /nfs/dbraw/zinc/50/31/63/444503163.db2.gz YSNBXMZNHMPHJD-QZTJIDSGSA-N 1 2 342.443 1.116 20 30 EDEDLO Cc1cccc(NC(=O)NCC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000329219237 444504842 /nfs/dbraw/zinc/50/48/42/444504842.db2.gz ASLWVLYVDZTGDQ-OAHLLOKOSA-N 1 2 333.436 1.523 20 30 EDEDLO Cc1cccc(NC(=O)NCC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000329219237 444504843 /nfs/dbraw/zinc/50/48/43/444504843.db2.gz ASLWVLYVDZTGDQ-OAHLLOKOSA-N 1 2 333.436 1.523 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@@]3(CCCOC3)C1)CCC2 ZINC000329234196 444508082 /nfs/dbraw/zinc/50/80/82/444508082.db2.gz MPPIOLAKKIYLCR-YJBOKZPZSA-N 1 2 348.447 1.864 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000329261169 444515225 /nfs/dbraw/zinc/51/52/25/444515225.db2.gz ZCIIKGUGTXHTPV-CVEARBPZSA-N 1 2 344.463 1.239 20 30 EDEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1=O ZINC000329261973 444515799 /nfs/dbraw/zinc/51/57/99/444515799.db2.gz DDMGQGGIRSGAGP-LUYZLQTOSA-N 1 2 335.448 1.596 20 30 EDEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1=O ZINC000329261973 444515801 /nfs/dbraw/zinc/51/58/01/444515801.db2.gz DDMGQGGIRSGAGP-LUYZLQTOSA-N 1 2 335.448 1.596 20 30 EDEDLO CCN1CCOC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000329406319 444566420 /nfs/dbraw/zinc/56/64/20/444566420.db2.gz XGIUKAHSXHVEII-QZTJIDSGSA-N 1 2 347.459 1.737 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000329414713 444570111 /nfs/dbraw/zinc/57/01/11/444570111.db2.gz CVYOJUUYDLJNJU-MRXNPFEDSA-N 1 2 339.480 1.902 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000329414713 444570115 /nfs/dbraw/zinc/57/01/15/444570115.db2.gz CVYOJUUYDLJNJU-MRXNPFEDSA-N 1 2 339.480 1.902 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCOc3ccc(C#N)cc3)C[C@H]21 ZINC000332762955 444542492 /nfs/dbraw/zinc/54/24/92/444542492.db2.gz XGGDIOJLAXDKFI-SJORKVTESA-N 1 2 344.415 1.052 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)NCCOc3ccc(C#N)cc3)C[C@H]21 ZINC000332762955 444542496 /nfs/dbraw/zinc/54/24/96/444542496.db2.gz XGGDIOJLAXDKFI-SJORKVTESA-N 1 2 344.415 1.052 20 30 EDEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@@H](C#N)C1)C1CCOCC1 ZINC000329355651 444547172 /nfs/dbraw/zinc/54/71/72/444547172.db2.gz VWLWRBZBWYNEFY-LSDHHAIUSA-N 1 2 347.419 1.509 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3(c4ccccn4)CCC3)C[C@H]21 ZINC000329498025 444604531 /nfs/dbraw/zinc/60/45/31/444604531.db2.gz VEYMRPDNLPOYAH-HUUCEWRRSA-N 1 2 330.432 1.432 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3(c4ccccn4)CCC3)C[C@H]21 ZINC000329498025 444604534 /nfs/dbraw/zinc/60/45/34/444604534.db2.gz VEYMRPDNLPOYAH-HUUCEWRRSA-N 1 2 330.432 1.432 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000338371885 444660043 /nfs/dbraw/zinc/66/00/43/444660043.db2.gz WUOBXOVOLSFEGH-ZBFHGGJFSA-N 1 2 336.399 1.336 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000338371885 444660046 /nfs/dbraw/zinc/66/00/46/444660046.db2.gz WUOBXOVOLSFEGH-ZBFHGGJFSA-N 1 2 336.399 1.336 20 30 EDEDLO C[C@@H](C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)n1cnc(C#N)n1 ZINC000342379190 444665600 /nfs/dbraw/zinc/66/56/00/444665600.db2.gz BSBZYDQTYLILKN-VIFPVBQESA-N 1 2 329.751 1.328 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@H]3CCOc4ccccc43)C[C@@H]21 ZINC000329612865 444648137 /nfs/dbraw/zinc/64/81/37/444648137.db2.gz OOZDFXSQUCBDRC-UKPHBRMFSA-N 1 2 331.416 1.482 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@H]3CCOc4ccccc43)C[C@@H]21 ZINC000329612865 444648139 /nfs/dbraw/zinc/64/81/39/444648139.db2.gz OOZDFXSQUCBDRC-UKPHBRMFSA-N 1 2 331.416 1.482 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H](CCO)C2)nc[nH+]1 ZINC000329790283 444717886 /nfs/dbraw/zinc/71/78/86/444717886.db2.gz CRRORRZXEBDNAP-UONOGXRCSA-N 1 2 348.451 1.105 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H](CCO)C2)[nH+]cn1 ZINC000329790283 444717889 /nfs/dbraw/zinc/71/78/89/444717889.db2.gz CRRORRZXEBDNAP-UONOGXRCSA-N 1 2 348.451 1.105 20 30 EDEDLO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000329720142 444691584 /nfs/dbraw/zinc/69/15/84/444691584.db2.gz BNSAAVZMSJOQSC-CYBMUJFWSA-N 1 2 330.450 1.165 20 30 EDEDLO Cc1nn(C)c(C)c1C[C@H](C)[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329913897 444766050 /nfs/dbraw/zinc/76/60/50/444766050.db2.gz XQJQRTBHMOQTHQ-SWLSCSKDSA-N 1 2 344.463 1.931 20 30 EDEDLO Cc1nn(C)c(C)c1C[C@H](C)NC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329913897 444766054 /nfs/dbraw/zinc/76/60/54/444766054.db2.gz XQJQRTBHMOQTHQ-SWLSCSKDSA-N 1 2 344.463 1.931 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000329925740 444772568 /nfs/dbraw/zinc/77/25/68/444772568.db2.gz VREYABUUICWMCT-VBQJREDUSA-N 1 2 336.436 1.893 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000329925740 444772570 /nfs/dbraw/zinc/77/25/70/444772570.db2.gz VREYABUUICWMCT-VBQJREDUSA-N 1 2 336.436 1.893 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)C[C@@H]21 ZINC000329930126 444774120 /nfs/dbraw/zinc/77/41/20/444774120.db2.gz ODEIIXLXXHJNJX-WFASDCNBSA-N 1 2 333.388 1.754 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)C[C@@H]21 ZINC000329930126 444774122 /nfs/dbraw/zinc/77/41/22/444774122.db2.gz ODEIIXLXXHJNJX-WFASDCNBSA-N 1 2 333.388 1.754 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cnn(CC(F)(F)F)c3)C[C@H]21 ZINC000329938553 444778220 /nfs/dbraw/zinc/77/82/20/444778220.db2.gz SMZNSAFGLGSLEB-GHMZBOCLSA-N 1 2 333.314 1.006 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cnn(CC(F)(F)F)c3)C[C@H]21 ZINC000329938553 444778221 /nfs/dbraw/zinc/77/82/21/444778221.db2.gz SMZNSAFGLGSLEB-GHMZBOCLSA-N 1 2 333.314 1.006 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)cn1 ZINC000329940691 444778805 /nfs/dbraw/zinc/77/88/05/444778805.db2.gz BUHOCORZGXHUDS-ZACQAIPSSA-N 1 2 347.463 1.409 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC000329949840 444782646 /nfs/dbraw/zinc/78/26/46/444782646.db2.gz BXFJJAOVGZRVOL-YDHLFZDLSA-N 1 2 341.383 1.576 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC000329949840 444782648 /nfs/dbraw/zinc/78/26/48/444782648.db2.gz BXFJJAOVGZRVOL-YDHLFZDLSA-N 1 2 341.383 1.576 20 30 EDEDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N[C@H]1CC[S@@](=O)C1 ZINC000329991172 444803046 /nfs/dbraw/zinc/80/30/46/444803046.db2.gz JQUYANXMEBEIKT-PSLXWICFSA-N 1 2 336.461 1.597 20 30 EDEDLO C[C@H](CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)Cn1cccn1 ZINC000329993993 444803984 /nfs/dbraw/zinc/80/39/84/444803984.db2.gz LVWWFFYGDLGONZ-HUUCEWRRSA-N 1 2 345.451 1.155 20 30 EDEDLO CCOC(=O)C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCC1 ZINC000342668238 444805420 /nfs/dbraw/zinc/80/54/20/444805420.db2.gz XKUHGBYMWAFWOG-MRXNPFEDSA-N 1 2 332.400 1.716 20 30 EDEDLO CCOC(=O)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCC1 ZINC000342668238 444805424 /nfs/dbraw/zinc/80/54/24/444805424.db2.gz XKUHGBYMWAFWOG-MRXNPFEDSA-N 1 2 332.400 1.716 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000336917440 444851504 /nfs/dbraw/zinc/85/15/04/444851504.db2.gz ODFKFHLWIFIOHT-SNVBAGLBSA-N 1 2 341.824 1.414 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000336916954 444851526 /nfs/dbraw/zinc/85/15/26/444851526.db2.gz NVDZMIXWSDKNOP-CYBMUJFWSA-N 1 2 349.460 1.661 20 30 EDEDLO C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CCCc4cn[nH]c43)CC2)CCO1 ZINC000330131179 444855684 /nfs/dbraw/zinc/85/56/84/444855684.db2.gz KVLQZYKUXYZTCK-CJNGLKHVSA-N 1 2 347.463 1.886 20 30 EDEDLO C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@H]3CCCc4cn[nH]c43)CC2)CCO1 ZINC000330131179 444855688 /nfs/dbraw/zinc/85/56/88/444855688.db2.gz KVLQZYKUXYZTCK-CJNGLKHVSA-N 1 2 347.463 1.886 20 30 EDEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000338830852 444876160 /nfs/dbraw/zinc/87/61/60/444876160.db2.gz QUXOKIFROMLNMM-UHFFFAOYSA-N 1 2 346.479 1.380 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330245187 444904424 /nfs/dbraw/zinc/90/44/24/444904424.db2.gz DPSPYEYTZZWAJU-MCIONIFRSA-N 1 2 331.482 1.487 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330245187 444904428 /nfs/dbraw/zinc/90/44/28/444904428.db2.gz DPSPYEYTZZWAJU-MCIONIFRSA-N 1 2 331.482 1.487 20 30 EDEDLO Cc1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)c(=O)n1C ZINC000330246856 444905088 /nfs/dbraw/zinc/90/50/88/444905088.db2.gz YMKCFMWVJOSAJE-UHFFFAOYSA-N 1 2 329.404 1.641 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000330248692 444906633 /nfs/dbraw/zinc/90/66/33/444906633.db2.gz ZKKPUACGFCYOTN-LSDHHAIUSA-N 1 2 325.453 1.703 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000330248692 444906637 /nfs/dbraw/zinc/90/66/37/444906637.db2.gz ZKKPUACGFCYOTN-LSDHHAIUSA-N 1 2 325.453 1.703 20 30 EDEDLO CC1CCC(NC(=O)C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000330277980 444919270 /nfs/dbraw/zinc/91/92/70/444919270.db2.gz PAACPFKGYHUPLS-RUXDESIVSA-N 1 2 331.482 1.487 20 30 EDEDLO CC1CCC(NC(=O)C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000330277980 444919273 /nfs/dbraw/zinc/91/92/73/444919273.db2.gz PAACPFKGYHUPLS-RUXDESIVSA-N 1 2 331.482 1.487 20 30 EDEDLO C=CCOCC[N@@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000339014106 444986161 /nfs/dbraw/zinc/98/61/61/444986161.db2.gz KHPUBOVOLURISQ-UHFFFAOYSA-N 1 2 333.392 1.314 20 30 EDEDLO C=CCOCC[N@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000339014106 444986164 /nfs/dbraw/zinc/98/61/64/444986164.db2.gz KHPUBOVOLURISQ-UHFFFAOYSA-N 1 2 333.392 1.314 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000339157624 445063030 /nfs/dbraw/zinc/06/30/30/445063030.db2.gz LSBOQTRGDNCWKF-IIAWOOMASA-N 1 2 343.493 1.186 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000339157624 445063034 /nfs/dbraw/zinc/06/30/34/445063034.db2.gz LSBOQTRGDNCWKF-IIAWOOMASA-N 1 2 343.493 1.186 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337441075 445081962 /nfs/dbraw/zinc/08/19/62/445081962.db2.gz GBYRRBPMGJXMEL-HOTGVXAUSA-N 1 2 339.457 1.274 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337441075 445081966 /nfs/dbraw/zinc/08/19/66/445081966.db2.gz GBYRRBPMGJXMEL-HOTGVXAUSA-N 1 2 339.457 1.274 20 30 EDEDLO N#Cc1ccc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)[nH]1 ZINC000343132840 445086024 /nfs/dbraw/zinc/08/60/24/445086024.db2.gz LSTFVALSQTXXJS-UHFFFAOYSA-N 1 2 336.355 1.852 20 30 EDEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000339223230 445098660 /nfs/dbraw/zinc/09/86/60/445098660.db2.gz MRJQPYHDSVYQHY-MRXNPFEDSA-N 1 2 341.459 1.866 20 30 EDEDLO Cc1sc2nc(C[N@@H+](C)CCNC(=O)N(C)C)nc(N)c2c1C ZINC000330693367 445099232 /nfs/dbraw/zinc/09/92/32/445099232.db2.gz HRHHOLIMTLFGAN-UHFFFAOYSA-N 1 2 336.465 1.798 20 30 EDEDLO Cc1sc2nc(C[N@H+](C)CCNC(=O)N(C)C)nc(N)c2c1C ZINC000330693367 445099235 /nfs/dbraw/zinc/09/92/35/445099235.db2.gz HRHHOLIMTLFGAN-UHFFFAOYSA-N 1 2 336.465 1.798 20 30 EDEDLO COCc1cccc(CNC(=O)C[NH+]2CCC(C#N)(COC)CC2)c1 ZINC000341993555 445112674 /nfs/dbraw/zinc/11/26/74/445112674.db2.gz PNVGMEMOQRHSPN-UHFFFAOYSA-N 1 2 345.443 1.701 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000341993818 445112689 /nfs/dbraw/zinc/11/26/89/445112689.db2.gz PPOOZSUHLHAAQM-UHFFFAOYSA-N 1 2 347.415 1.894 20 30 EDEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000342012021 445122422 /nfs/dbraw/zinc/12/24/22/445122422.db2.gz FGCLPOZYTDXORD-YJBOKZPZSA-N 1 2 345.443 1.799 20 30 EDEDLO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000337636029 445181094 /nfs/dbraw/zinc/18/10/94/445181094.db2.gz QAALVAJLMLMOEM-HNNXBMFYSA-N 1 2 345.443 1.581 20 30 EDEDLO CN(C)[C@H](C(=O)N1C[C@H](C#N)[C@H](c2ccccc2)C1)c1c[nH+]cn1C ZINC000346416523 445214183 /nfs/dbraw/zinc/21/41/83/445214183.db2.gz ZNJJGUBVIJYSFZ-BQFCYCMXSA-N 1 2 337.427 1.789 20 30 EDEDLO Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346471931 445215677 /nfs/dbraw/zinc/21/56/77/445215677.db2.gz BNMOIODTABSRFB-CQSZACIVSA-N 1 2 347.463 1.215 20 30 EDEDLO CC(C)N(C[C@@H](C)O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000330942618 445198278 /nfs/dbraw/zinc/19/82/78/445198278.db2.gz CXGCHWPOOHUFIC-CQSZACIVSA-N 1 2 336.436 1.423 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000343327124 445200272 /nfs/dbraw/zinc/20/02/72/445200272.db2.gz AMHKJMPAHNSQJC-RRFJBIMHSA-N 1 2 325.453 1.073 20 30 EDEDLO Cc1nc(C)n(C[C@H]2C[N@H+](Cc3ccc(CC#N)cc3)CCO2)n1 ZINC000343515843 445237016 /nfs/dbraw/zinc/23/70/16/445237016.db2.gz USFMBUHXOMNQIW-GOSISDBHSA-N 1 2 325.416 1.862 20 30 EDEDLO Cc1nc(C)n(C[C@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CCO2)n1 ZINC000343515843 445237018 /nfs/dbraw/zinc/23/70/18/445237018.db2.gz USFMBUHXOMNQIW-GOSISDBHSA-N 1 2 325.416 1.862 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000347662453 445244283 /nfs/dbraw/zinc/24/42/83/445244283.db2.gz BBCIBGGTCUZAGP-ARJAWSKDSA-N 1 2 335.398 1.898 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000347662453 445244285 /nfs/dbraw/zinc/24/42/85/445244285.db2.gz BBCIBGGTCUZAGP-ARJAWSKDSA-N 1 2 335.398 1.898 20 30 EDEDLO C=CCCCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000351690298 445273831 /nfs/dbraw/zinc/27/38/31/445273831.db2.gz DGZIPMQYVLKJAO-INIZCTEOSA-N 1 2 336.480 1.681 20 30 EDEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000359888088 445475685 /nfs/dbraw/zinc/47/56/85/445475685.db2.gz DROXZKNOYSPNLF-ZFWWWQNUSA-N 1 2 337.383 1.834 20 30 EDEDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)nn1 ZINC000359971675 445509960 /nfs/dbraw/zinc/50/99/60/445509960.db2.gz CSHGSRFDTDMDHV-CQSZACIVSA-N 1 2 329.335 1.522 20 30 EDEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)nn1 ZINC000359971675 445509965 /nfs/dbraw/zinc/50/99/65/445509965.db2.gz CSHGSRFDTDMDHV-CQSZACIVSA-N 1 2 329.335 1.522 20 30 EDEDLO N#CCNC(=O)CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000349333893 445566285 /nfs/dbraw/zinc/56/62/85/445566285.db2.gz UYLOMFFQGSKORI-UHFFFAOYSA-N 1 2 325.328 1.635 20 30 EDEDLO C=CCOC[C@@H](NC(=O)CCn1c(C)[nH+]c2ccccc21)C(=O)OC ZINC000357694159 445576874 /nfs/dbraw/zinc/57/68/74/445576874.db2.gz GZIYLONPGOTCTI-OAHLLOKOSA-N 1 2 345.399 1.595 20 30 EDEDLO C=CCOc1ccccc1C[NH2+]Cc1cn([C@H]2COC[C@H]2OC)nn1 ZINC000353215017 445581134 /nfs/dbraw/zinc/58/11/34/445581134.db2.gz VQNYJVWDEVMFIG-FUHWJXTLSA-N 1 2 344.415 1.719 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000357836291 445586520 /nfs/dbraw/zinc/58/65/20/445586520.db2.gz AJBUSQGGOFXVMT-WMLDXEAASA-N 1 2 347.463 1.185 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000357836291 445586523 /nfs/dbraw/zinc/58/65/23/445586523.db2.gz AJBUSQGGOFXVMT-WMLDXEAASA-N 1 2 347.463 1.185 20 30 EDEDLO Cc1cc(C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)ccc1C#N ZINC000362959999 445627614 /nfs/dbraw/zinc/62/76/14/445627614.db2.gz HWZRNSWGYJXIOW-OAHLLOKOSA-N 1 2 326.444 1.651 20 30 EDEDLO Cc1cc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)ccc1C#N ZINC000362959999 445627619 /nfs/dbraw/zinc/62/76/19/445627619.db2.gz HWZRNSWGYJXIOW-OAHLLOKOSA-N 1 2 326.444 1.651 20 30 EDEDLO C[C@@H](CNC(=O)C[C@H](CC#N)c1ccccc1)[NH+]1CCN(C)CC1 ZINC000356113615 445629201 /nfs/dbraw/zinc/62/92/01/445629201.db2.gz QPBSPTDSXYCTPZ-WMZOPIPTSA-N 1 2 328.460 1.826 20 30 EDEDLO CN(C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000353362952 445590941 /nfs/dbraw/zinc/59/09/41/445590941.db2.gz HJOKDXFTIFEOTC-GDBMZVCRSA-N 1 2 344.394 1.304 20 30 EDEDLO CN(C[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000353362952 445590943 /nfs/dbraw/zinc/59/09/43/445590943.db2.gz HJOKDXFTIFEOTC-GDBMZVCRSA-N 1 2 344.394 1.304 20 30 EDEDLO Cc1nnc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)Cc2nc(C#N)cs2)o1 ZINC000356400106 445772870 /nfs/dbraw/zinc/77/28/70/445772870.db2.gz DGRUNJZMZJTRGX-ZYHUDNBSSA-N 1 2 336.396 1.755 20 30 EDEDLO Cc1nnc(N2C[C@H](F)C[C@@H]2C[N@H+](C)Cc2nc(C#N)cs2)o1 ZINC000356400106 445772875 /nfs/dbraw/zinc/77/28/75/445772875.db2.gz DGRUNJZMZJTRGX-ZYHUDNBSSA-N 1 2 336.396 1.755 20 30 EDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000363330974 445769037 /nfs/dbraw/zinc/76/90/37/445769037.db2.gz DWMCIBNAQHGPJI-UONOGXRCSA-N 1 2 334.372 1.208 20 30 EDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000363330974 445769040 /nfs/dbraw/zinc/76/90/40/445769040.db2.gz DWMCIBNAQHGPJI-UONOGXRCSA-N 1 2 334.372 1.208 20 30 EDEDLO C[NH+](C)[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1ccco1 ZINC000354076865 445889777 /nfs/dbraw/zinc/88/97/77/445889777.db2.gz VVXADGVIIZLDFI-CYBMUJFWSA-N 1 2 325.434 1.886 20 30 EDEDLO CC#CCCNC(=O)[C@@H]1CCC(=O)N(CCC)[C@@H]1c1c[nH+]cn1C ZINC000356711795 445957764 /nfs/dbraw/zinc/95/77/64/445957764.db2.gz VJYPEBLHUNJXRG-PBHICJAKSA-N 1 2 330.432 1.639 20 30 EDEDLO CN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000364983348 445973016 /nfs/dbraw/zinc/97/30/16/445973016.db2.gz GUJZEHGBALPPEP-HZPDHXFCSA-N 1 2 326.400 1.216 20 30 EDEDLO CN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000364983348 445973025 /nfs/dbraw/zinc/97/30/25/445973025.db2.gz GUJZEHGBALPPEP-HZPDHXFCSA-N 1 2 326.400 1.216 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)cc1F ZINC000354206296 446000613 /nfs/dbraw/zinc/00/06/13/446000613.db2.gz JXYJKIMHAVVPLV-UHFFFAOYSA-N 1 2 337.314 1.600 20 30 EDEDLO CC(C)COC[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000361938768 446087818 /nfs/dbraw/zinc/08/78/18/446087818.db2.gz LJHKWJOAGOFTEX-SFHVURJKSA-N 1 2 345.443 1.236 20 30 EDEDLO CC(C)COC[C@@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000361938768 446087824 /nfs/dbraw/zinc/08/78/24/446087824.db2.gz LJHKWJOAGOFTEX-SFHVURJKSA-N 1 2 345.443 1.236 20 30 EDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000369523651 446128478 /nfs/dbraw/zinc/12/84/78/446128478.db2.gz XALCGAUKGDSWNP-LPMFXHHGSA-N 1 2 340.427 1.587 20 30 EDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000369523651 446128483 /nfs/dbraw/zinc/12/84/83/446128483.db2.gz XALCGAUKGDSWNP-LPMFXHHGSA-N 1 2 340.427 1.587 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000351544936 446145803 /nfs/dbraw/zinc/14/58/03/446145803.db2.gz PCQVCCFFHXNDCE-IBGZPJMESA-N 1 2 345.443 1.954 20 30 EDEDLO COC(=O)c1cc(F)ccc1C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373405979 446203664 /nfs/dbraw/zinc/20/36/64/446203664.db2.gz PNQLBOMZFLDRKR-UHFFFAOYSA-N 1 2 343.362 1.913 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000359520487 446273417 /nfs/dbraw/zinc/27/34/17/446273417.db2.gz KUTOKJQXMGZXPL-MRXNPFEDSA-N 1 2 345.349 1.776 20 30 EDEDLO CCn1cc[nH+]c1CN1CCCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000366762684 446339100 /nfs/dbraw/zinc/33/91/00/446339100.db2.gz YAWPAPYWROPLQE-UHFFFAOYSA-N 1 2 344.463 1.814 20 30 EDEDLO CCn1ccnc1C[N@@H+]1CCCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000366762684 446339104 /nfs/dbraw/zinc/33/91/04/446339104.db2.gz YAWPAPYWROPLQE-UHFFFAOYSA-N 1 2 344.463 1.814 20 30 EDEDLO CCn1ccnc1C[N@H+]1CCCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000366762684 446339110 /nfs/dbraw/zinc/33/91/10/446339110.db2.gz YAWPAPYWROPLQE-UHFFFAOYSA-N 1 2 344.463 1.814 20 30 EDEDLO O=C1CO[C@H]2CC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 ZINC000366785636 446350622 /nfs/dbraw/zinc/35/06/22/446350622.db2.gz HOLHBSDEMJFSHB-CABCVRRESA-N 1 2 338.329 1.646 20 30 EDEDLO O=C1CO[C@H]2CC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 ZINC000366785636 446350625 /nfs/dbraw/zinc/35/06/25/446350625.db2.gz HOLHBSDEMJFSHB-CABCVRRESA-N 1 2 338.329 1.646 20 30 EDEDLO C=CCNC(=O)C[NH2+]Cc1ccc(F)cc1I ZINC000417958187 446399227 /nfs/dbraw/zinc/39/92/27/446399227.db2.gz FXLOJGSWSVBKSN-UHFFFAOYSA-N 1 2 348.159 1.822 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000411187254 446421278 /nfs/dbraw/zinc/42/12/78/446421278.db2.gz PQUOXVQFWNQGRU-GOEBONIOSA-N 1 2 347.434 1.926 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000411187254 446421284 /nfs/dbraw/zinc/42/12/84/446421284.db2.gz PQUOXVQFWNQGRU-GOEBONIOSA-N 1 2 347.434 1.926 20 30 EDEDLO C=C(C)CS(=O)(=O)N1CCC[N@@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000367188743 446520647 /nfs/dbraw/zinc/52/06/47/446520647.db2.gz UPSZFHHCPZTBCC-UHFFFAOYSA-N 1 2 340.493 1.878 20 30 EDEDLO C=C(C)CS(=O)(=O)N1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000367188743 446520652 /nfs/dbraw/zinc/52/06/52/446520652.db2.gz UPSZFHHCPZTBCC-UHFFFAOYSA-N 1 2 340.493 1.878 20 30 EDEDLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+](C)CC(C)(C)C#N ZINC000433313218 446554622 /nfs/dbraw/zinc/55/46/22/446554622.db2.gz PGNUMUPWULWFQK-MRXNPFEDSA-N 1 2 343.427 1.594 20 30 EDEDLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+](C)CC(C)(C)C#N ZINC000433313218 446554632 /nfs/dbraw/zinc/55/46/32/446554632.db2.gz PGNUMUPWULWFQK-MRXNPFEDSA-N 1 2 343.427 1.594 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NCc3cccc(C#N)c3)[C@@H]2C1 ZINC000371060902 446604799 /nfs/dbraw/zinc/60/47/99/446604799.db2.gz AYDYMVAIDAKPSJ-KURKYZTESA-N 1 2 343.427 1.443 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)[C@@H]2C1 ZINC000371060902 446604805 /nfs/dbraw/zinc/60/48/05/446604805.db2.gz AYDYMVAIDAKPSJ-KURKYZTESA-N 1 2 343.427 1.443 20 30 EDEDLO C[C@@H]1C[N@@H+](CCN(C)[C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000434698899 446658605 /nfs/dbraw/zinc/65/86/05/446658605.db2.gz XNCSAGZOCRBWDO-VBQJREDUSA-N 1 2 330.432 1.126 20 30 EDEDLO C[C@@H]1C[N@H+](CCN(C)[C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000434698899 446658611 /nfs/dbraw/zinc/65/86/11/446658611.db2.gz XNCSAGZOCRBWDO-VBQJREDUSA-N 1 2 330.432 1.126 20 30 EDEDLO C[C@@H]1CN(CC[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000434698899 446658613 /nfs/dbraw/zinc/65/86/13/446658613.db2.gz XNCSAGZOCRBWDO-VBQJREDUSA-N 1 2 330.432 1.126 20 30 EDEDLO C[C@@H]1CN(CC[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000434698899 446658614 /nfs/dbraw/zinc/65/86/14/446658614.db2.gz XNCSAGZOCRBWDO-VBQJREDUSA-N 1 2 330.432 1.126 20 30 EDEDLO C[N@@H+]1CC[C@@H]2CCN(CCS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 ZINC000375245958 446667251 /nfs/dbraw/zinc/66/72/51/446667251.db2.gz VYUFNKZXJKDVOQ-WBVHZDCISA-N 1 2 333.457 1.358 20 30 EDEDLO C[N@H+]1CC[C@@H]2CCN(CCS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 ZINC000375245958 446667254 /nfs/dbraw/zinc/66/72/54/446667254.db2.gz VYUFNKZXJKDVOQ-WBVHZDCISA-N 1 2 333.457 1.358 20 30 EDEDLO CN1CC[C@@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 ZINC000375245958 446667257 /nfs/dbraw/zinc/66/72/57/446667257.db2.gz VYUFNKZXJKDVOQ-WBVHZDCISA-N 1 2 333.457 1.358 20 30 EDEDLO CN1CC[C@@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 ZINC000375245958 446667259 /nfs/dbraw/zinc/66/72/59/446667259.db2.gz VYUFNKZXJKDVOQ-WBVHZDCISA-N 1 2 333.457 1.358 20 30 EDEDLO N#CCCn1ccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000438330222 446792071 /nfs/dbraw/zinc/79/20/71/446792071.db2.gz JBNFACMOXMWOOL-UHFFFAOYSA-N 1 2 328.376 1.739 20 30 EDEDLO N#CCCCC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439289896 446811885 /nfs/dbraw/zinc/81/18/85/446811885.db2.gz QTSIENIWJLZSNI-UHFFFAOYSA-N 1 2 342.387 1.131 20 30 EDEDLO CN(C)c1ncnc2c1CN(Cc1c[nH+]c3ccc(C#N)cn13)CC2 ZINC000371385487 446823735 /nfs/dbraw/zinc/82/37/35/446823735.db2.gz XODOMFGCEWZISR-UHFFFAOYSA-N 1 2 333.399 1.620 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCN(c4cccnn4)CC3)o2)c1 ZINC000441547321 446868987 /nfs/dbraw/zinc/86/89/87/446868987.db2.gz WFYPJHMGDJJQEF-UHFFFAOYSA-N 1 2 347.382 1.720 20 30 EDEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCC(C)(C)CCC#N)C2)CC1 ZINC000377034805 446875984 /nfs/dbraw/zinc/87/59/84/446875984.db2.gz XENNSOWYVMEBDE-INIZCTEOSA-N 1 2 335.496 1.738 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000424536365 446892842 /nfs/dbraw/zinc/89/28/42/446892842.db2.gz FUBNLRPLBVBJTO-UHFFFAOYSA-N 1 2 331.445 1.874 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368515553 446912752 /nfs/dbraw/zinc/91/27/52/446912752.db2.gz VHMFYVPBDVWIHR-AWEZNQCLSA-N 1 2 341.415 1.339 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](OCC3CC3)C2)nc1 ZINC000368578430 446955426 /nfs/dbraw/zinc/95/54/26/446955426.db2.gz MZPTVYPHMXBNHZ-MRXNPFEDSA-N 1 2 349.456 1.618 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](OCC3CC3)C2)nc1 ZINC000368578430 446955431 /nfs/dbraw/zinc/95/54/31/446955431.db2.gz MZPTVYPHMXBNHZ-MRXNPFEDSA-N 1 2 349.456 1.618 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442847372 446987571 /nfs/dbraw/zinc/98/75/71/446987571.db2.gz QIFNSIKYUYBVIE-KSSFIOAISA-N 1 2 340.464 1.890 20 30 EDEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000425211145 447065410 /nfs/dbraw/zinc/06/54/10/447065410.db2.gz XHVCMVJUYFJTTC-UHFFFAOYSA-N 1 2 337.445 1.290 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)no1 ZINC000375763494 447031942 /nfs/dbraw/zinc/03/19/42/447031942.db2.gz JYICSKSZHLXGAG-MRXNPFEDSA-N 1 2 339.399 1.746 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)no1 ZINC000375763494 447031950 /nfs/dbraw/zinc/03/19/50/447031950.db2.gz JYICSKSZHLXGAG-MRXNPFEDSA-N 1 2 339.399 1.746 20 30 EDEDLO C=C(Br)C[N@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000368855689 447161189 /nfs/dbraw/zinc/16/11/89/447161189.db2.gz SZWFIZBXOOKYIE-JTQLQIEISA-N 1 2 329.198 1.610 20 30 EDEDLO C=C(Br)C[N@@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000368855689 447161197 /nfs/dbraw/zinc/16/11/97/447161197.db2.gz SZWFIZBXOOKYIE-JTQLQIEISA-N 1 2 329.198 1.610 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000425462564 447174478 /nfs/dbraw/zinc/17/44/78/447174478.db2.gz FIOBGYIVNMUSDO-HUUCEWRRSA-N 1 2 330.432 1.981 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000425462564 447174486 /nfs/dbraw/zinc/17/44/86/447174486.db2.gz FIOBGYIVNMUSDO-HUUCEWRRSA-N 1 2 330.432 1.981 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000447815067 447291758 /nfs/dbraw/zinc/29/17/58/447291758.db2.gz BKULJRQVRCDLPK-RKYPPNDESA-N 1 2 337.464 1.698 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000447815067 447291764 /nfs/dbraw/zinc/29/17/64/447291764.db2.gz BKULJRQVRCDLPK-RKYPPNDESA-N 1 2 337.464 1.698 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1cnc2c3ccccc3oc2c1=O ZINC000414110782 447275058 /nfs/dbraw/zinc/27/50/58/447275058.db2.gz OPVPWASLKZELDW-GFCCVEGCSA-N 1 2 326.356 1.349 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1cnc2c3ccccc3oc2c1=O ZINC000414110782 447275062 /nfs/dbraw/zinc/27/50/62/447275062.db2.gz OPVPWASLKZELDW-GFCCVEGCSA-N 1 2 326.356 1.349 20 30 EDEDLO C[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000422292016 447449287 /nfs/dbraw/zinc/44/92/87/447449287.db2.gz FUMYVLQAHLXHMA-MRXNPFEDSA-N 1 2 342.443 1.529 20 30 EDEDLO C[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000422292016 447449290 /nfs/dbraw/zinc/44/92/90/447449290.db2.gz FUMYVLQAHLXHMA-MRXNPFEDSA-N 1 2 342.443 1.529 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000456986043 447498740 /nfs/dbraw/zinc/49/87/40/447498740.db2.gz IZIYHRYLDHNFAK-SJORKVTESA-N 1 2 334.416 1.532 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000495749468 447578413 /nfs/dbraw/zinc/57/84/13/447578413.db2.gz MHIIVTFRUNXRJK-HUUCEWRRSA-N 1 2 338.452 1.152 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000495749468 447578419 /nfs/dbraw/zinc/57/84/19/447578419.db2.gz MHIIVTFRUNXRJK-HUUCEWRRSA-N 1 2 338.452 1.152 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000394451454 447537518 /nfs/dbraw/zinc/53/75/18/447537518.db2.gz ZADTYZXOSRKIOX-DOTOQJQBSA-N 1 2 342.443 1.682 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000394451454 447537525 /nfs/dbraw/zinc/53/75/25/447537525.db2.gz ZADTYZXOSRKIOX-DOTOQJQBSA-N 1 2 342.443 1.682 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000394451454 447537531 /nfs/dbraw/zinc/53/75/31/447537531.db2.gz ZADTYZXOSRKIOX-DOTOQJQBSA-N 1 2 342.443 1.682 20 30 EDEDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428461957 447703993 /nfs/dbraw/zinc/70/39/93/447703993.db2.gz SOYLWMKONHZHSS-CQSZACIVSA-N 1 2 339.436 1.991 20 30 EDEDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428461957 447703998 /nfs/dbraw/zinc/70/39/98/447703998.db2.gz SOYLWMKONHZHSS-CQSZACIVSA-N 1 2 339.436 1.991 20 30 EDEDLO CCOCC[N@@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)C[C@@H]1C ZINC000451212564 447706462 /nfs/dbraw/zinc/70/64/62/447706462.db2.gz ZYKFVKTVBVEKHB-AWEZNQCLSA-N 1 2 329.466 1.053 20 30 EDEDLO CCOCC[N@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)C[C@@H]1C ZINC000451212564 447706469 /nfs/dbraw/zinc/70/64/69/447706469.db2.gz ZYKFVKTVBVEKHB-AWEZNQCLSA-N 1 2 329.466 1.053 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000416609960 447659210 /nfs/dbraw/zinc/65/92/10/447659210.db2.gz NPGMMPFTHHYNJH-HNNXBMFYSA-N 1 2 336.461 1.283 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)N(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000416609960 447659227 /nfs/dbraw/zinc/65/92/27/447659227.db2.gz NPGMMPFTHHYNJH-HNNXBMFYSA-N 1 2 336.461 1.283 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c[nH]1 ZINC000471817356 447814347 /nfs/dbraw/zinc/81/43/47/447814347.db2.gz UAEHALZXFXJTJG-UHFFFAOYSA-N 1 2 342.403 1.037 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000430410399 447773782 /nfs/dbraw/zinc/77/37/82/447773782.db2.gz WHYFMLMCSGOGJL-GDBMZVCRSA-N 1 2 346.431 1.144 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](CCSc2ccccc2F)CC1 ZINC000491165753 447946059 /nfs/dbraw/zinc/94/60/59/447946059.db2.gz NBVYRQQHLXRIMN-UHFFFAOYSA-N 1 2 335.448 1.285 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCOC2)CC1 ZINC000491201365 447953305 /nfs/dbraw/zinc/95/33/05/447953305.db2.gz GXYULBZHLXPPFL-MRXNPFEDSA-N 1 2 345.491 1.658 20 30 EDEDLO Cc1nc(N)c(CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c[nH+]1 ZINC000552018390 447925965 /nfs/dbraw/zinc/92/59/65/447925965.db2.gz MOXMLNSCBWFOAM-UHFFFAOYSA-N 1 2 340.387 1.205 20 30 EDEDLO C#C[C@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C(C)(C)C ZINC000491229561 447967609 /nfs/dbraw/zinc/96/76/09/447967609.db2.gz ICQDMEFWWZREFO-INIZCTEOSA-N 1 2 348.491 1.278 20 30 EDEDLO Cn1c2ccc(CNC(=O)Cn3cnc(C#N)n3)cc2[nH+]c1C1CC1 ZINC000576306682 448023796 /nfs/dbraw/zinc/02/37/96/448023796.db2.gz FESOGBIDIVTTCX-UHFFFAOYSA-N 1 2 335.371 1.230 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2c(F)c(F)cc(F)c2F)CC1 ZINC000491485668 448040131 /nfs/dbraw/zinc/04/01/31/448040131.db2.gz QFKGJPYSTZHGOM-UHFFFAOYSA-N 1 2 330.281 1.399 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCCO2)CC1 ZINC000491661851 448077908 /nfs/dbraw/zinc/07/79/08/448077908.db2.gz BAAWLWZTHKYLPI-QGZVFWFLSA-N 1 2 343.475 1.870 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000491662224 448078318 /nfs/dbraw/zinc/07/83/18/448078318.db2.gz NYPFYCOXVJUYQC-KRWDZBQOSA-N 1 2 342.443 1.862 20 30 EDEDLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(CCC#N)CC1 ZINC000576581456 448089812 /nfs/dbraw/zinc/08/98/12/448089812.db2.gz VJJKPGJCHGBHDJ-HIFRSBDPSA-N 1 2 341.477 1.036 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000491750900 448104498 /nfs/dbraw/zinc/10/44/98/448104498.db2.gz VUWSCJVDIGVISX-OAHLLOKOSA-N 1 2 342.443 1.753 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000491615151 448063457 /nfs/dbraw/zinc/06/34/57/448063457.db2.gz BMKSYKAXZPTNGR-ZDUSSCGKSA-N 1 2 348.472 1.760 20 30 EDEDLO C#C[C@H](C)[N@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000491615151 448063460 /nfs/dbraw/zinc/06/34/60/448063460.db2.gz BMKSYKAXZPTNGR-ZDUSSCGKSA-N 1 2 348.472 1.760 20 30 EDEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2cc(CC#N)ccn2)CC1 ZINC000531924230 448173152 /nfs/dbraw/zinc/17/31/52/448173152.db2.gz ISJICZMXIXLXFP-UHFFFAOYSA-N 1 2 338.415 1.732 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000532212728 448215727 /nfs/dbraw/zinc/21/57/27/448215727.db2.gz HLYVXILZNRVYBX-VQBCORBOSA-N 1 2 345.487 1.790 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000532212728 448215731 /nfs/dbraw/zinc/21/57/31/448215731.db2.gz HLYVXILZNRVYBX-VQBCORBOSA-N 1 2 345.487 1.790 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ncn(C)n2)c(OC)c1 ZINC000563528815 448306294 /nfs/dbraw/zinc/30/62/94/448306294.db2.gz HWNKSZWRIPGHNT-AWEZNQCLSA-N 1 2 332.404 1.082 20 30 EDEDLO N#Cc1ccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)nc1N ZINC000563728245 448312778 /nfs/dbraw/zinc/31/27/78/448312778.db2.gz BSQIJDHASZAZFX-ZDUSSCGKSA-N 1 2 329.429 2.082 20 30 EDEDLO Cn1cc[nH+]c1[C@H](CC(=O)N1CCSC[C@H]1C#N)C(F)(F)F ZINC000565192425 448358930 /nfs/dbraw/zinc/35/89/30/448358930.db2.gz OUBSFIJUYJJEKN-ZJUUUORDSA-N 1 2 332.351 1.924 20 30 EDEDLO CCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000532924872 448333837 /nfs/dbraw/zinc/33/38/37/448333837.db2.gz SZLFQCUEECZKQU-CQSZACIVSA-N 1 2 328.416 1.830 20 30 EDEDLO CCC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000532924872 448333842 /nfs/dbraw/zinc/33/38/42/448333842.db2.gz SZLFQCUEECZKQU-CQSZACIVSA-N 1 2 328.416 1.830 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000577927943 448416367 /nfs/dbraw/zinc/41/63/67/448416367.db2.gz IZHMAKKDFLQWEX-RPVQJOFSSA-N 1 2 329.400 1.355 20 30 EDEDLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000577927943 448416372 /nfs/dbraw/zinc/41/63/72/448416372.db2.gz IZHMAKKDFLQWEX-RPVQJOFSSA-N 1 2 329.400 1.355 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nc3ccccc3n2CC)CC1 ZINC000534333751 448448069 /nfs/dbraw/zinc/44/80/69/448448069.db2.gz QIQWJHSFBYHPLN-UHFFFAOYSA-N 1 2 341.459 1.476 20 30 EDEDLO C=CC[N@H+](CCCn1c2ccccc2[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000537513008 448559423 /nfs/dbraw/zinc/55/94/23/448559423.db2.gz BSQQAMNYDCYGLS-CQSZACIVSA-N 1 2 349.456 1.807 20 30 EDEDLO C=CC[N@@H+](CCCn1c2ccccc2[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000537513008 448559427 /nfs/dbraw/zinc/55/94/27/448559427.db2.gz BSQQAMNYDCYGLS-CQSZACIVSA-N 1 2 349.456 1.807 20 30 EDEDLO COc1ccc2ncc(C#N)c(NCC[N@@H+]3CCOC[C@H]3C)c2c1 ZINC000591907427 448562986 /nfs/dbraw/zinc/56/29/86/448562986.db2.gz BEBDTAIODSMNRJ-CYBMUJFWSA-N 1 2 326.400 1.670 20 30 EDEDLO COc1ccc2ncc(C#N)c(NCC[N@H+]3CCOC[C@H]3C)c2c1 ZINC000591907427 448562990 /nfs/dbraw/zinc/56/29/90/448562990.db2.gz BEBDTAIODSMNRJ-CYBMUJFWSA-N 1 2 326.400 1.670 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3cn[nH]c3C2)c1 ZINC000578522894 448570134 /nfs/dbraw/zinc/57/01/34/448570134.db2.gz BJHQOKCJDPFSNO-CQSZACIVSA-N 1 2 330.413 1.202 20 30 EDEDLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c(C#N)cn1 ZINC000584716477 448606217 /nfs/dbraw/zinc/60/62/17/448606217.db2.gz OXYISYAPOBRFDQ-OAHLLOKOSA-N 1 2 327.432 1.395 20 30 EDEDLO C[C@@]1(C(F)F)C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528560605 448588241 /nfs/dbraw/zinc/58/82/41/448588241.db2.gz LUUYTQBAGVMSFU-BBRMVZONSA-N 1 2 326.343 1.654 20 30 EDEDLO C[C@@]1(C(F)F)C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528560605 448588244 /nfs/dbraw/zinc/58/82/44/448588244.db2.gz LUUYTQBAGVMSFU-BBRMVZONSA-N 1 2 326.343 1.654 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528780364 448673062 /nfs/dbraw/zinc/67/30/62/448673062.db2.gz DOSLHVYXOURFHU-BWZIXVDQSA-N 1 2 331.441 1.871 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528780364 448673071 /nfs/dbraw/zinc/67/30/71/448673071.db2.gz DOSLHVYXOURFHU-BWZIXVDQSA-N 1 2 331.441 1.871 20 30 EDEDLO CC(C)NC(=O)NCC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000592102696 448685897 /nfs/dbraw/zinc/68/58/97/448685897.db2.gz VDIJMDCBPMGNHV-KRWDZBQOSA-N 1 2 347.438 1.716 20 30 EDEDLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149712 448710801 /nfs/dbraw/zinc/71/08/01/448710801.db2.gz UXIRGHLFEJSRFJ-SUMWQHHRSA-N 1 2 331.441 1.864 20 30 EDEDLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149712 448710802 /nfs/dbraw/zinc/71/08/02/448710802.db2.gz UXIRGHLFEJSRFJ-SUMWQHHRSA-N 1 2 331.441 1.864 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000518796219 448713039 /nfs/dbraw/zinc/71/30/39/448713039.db2.gz WXCFZSUFIXVUNB-MLGOLLRUSA-N 1 2 340.343 1.632 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000567847075 448773531 /nfs/dbraw/zinc/77/35/31/448773531.db2.gz ODGQHUSQSDWYAO-CABCVRRESA-N 1 2 332.404 1.061 20 30 EDEDLO N#Cc1cccc(N2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)n1 ZINC000545477258 448798146 /nfs/dbraw/zinc/79/81/46/448798146.db2.gz HUYSKBJDAUYSMW-UHFFFAOYSA-N 1 2 331.383 1.805 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000580697864 448954243 /nfs/dbraw/zinc/95/42/43/448954243.db2.gz QQYAEMPIZSTLED-MSOLQXFVSA-N 1 2 340.427 1.729 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000569106493 448962212 /nfs/dbraw/zinc/96/22/12/448962212.db2.gz KMLBIRGCCBKFAA-CYBMUJFWSA-N 1 2 341.209 1.052 20 30 EDEDLO CC(=O)N(CCc1ccccc1)CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000521882755 449024187 /nfs/dbraw/zinc/02/41/87/449024187.db2.gz OIHQBZAYVBHDPQ-GOSISDBHSA-N 1 2 330.432 1.038 20 30 EDEDLO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000582363084 449076466 /nfs/dbraw/zinc/07/64/66/449076466.db2.gz HQULDIPVRKTKCC-MRAWALMUSA-N 1 2 328.416 1.855 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000611083842 449163514 /nfs/dbraw/zinc/16/35/14/449163514.db2.gz CWGDROSWVOKQCB-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000611083842 449163517 /nfs/dbraw/zinc/16/35/17/449163517.db2.gz CWGDROSWVOKQCB-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000595786485 449164176 /nfs/dbraw/zinc/16/41/76/449164176.db2.gz RIQAJWIPBQLOLB-OSAQELSMSA-N 1 2 344.333 1.950 20 30 EDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000595786485 449164183 /nfs/dbraw/zinc/16/41/83/449164183.db2.gz RIQAJWIPBQLOLB-OSAQELSMSA-N 1 2 344.333 1.950 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4ncccn4n3)CC2)cc1 ZINC000590410180 449150862 /nfs/dbraw/zinc/15/08/62/449150862.db2.gz DRQLCMFFTTZRFL-UHFFFAOYSA-N 1 2 346.394 1.559 20 30 EDEDLO Cc1ccc(CN(C(=O)C[NH+]2CCN(CCC#N)CC2)C2CC2)o1 ZINC000611173900 449199492 /nfs/dbraw/zinc/19/94/92/449199492.db2.gz PYWABKXTRDNZAL-UHFFFAOYSA-N 1 2 330.432 1.610 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595866138 449219004 /nfs/dbraw/zinc/21/90/04/449219004.db2.gz FGVVRPREWIBIKT-GDBMZVCRSA-N 1 2 325.359 1.642 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C(N)=O)C2)cc1OCCCC#N ZINC000600193276 449237931 /nfs/dbraw/zinc/23/79/31/449237931.db2.gz MWJRFWWSIUPPRU-GUYCJALGSA-N 1 2 347.415 1.452 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@H](C(N)=O)C2)cc1OCCCC#N ZINC000600193276 449237936 /nfs/dbraw/zinc/23/79/36/449237936.db2.gz MWJRFWWSIUPPRU-GUYCJALGSA-N 1 2 347.415 1.452 20 30 EDEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000601966619 449250315 /nfs/dbraw/zinc/25/03/15/449250315.db2.gz AQEGADAGNLKDQW-CQSZACIVSA-N 1 2 344.440 1.978 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000593443938 449286492 /nfs/dbraw/zinc/28/64/92/449286492.db2.gz OUZKKOBPDHTDIA-INIZCTEOSA-N 1 2 329.448 1.454 20 30 EDEDLO N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000602032122 449288704 /nfs/dbraw/zinc/28/87/04/449288704.db2.gz VEDPRIUFOSVSGA-UHFFFAOYSA-N 1 2 341.346 1.696 20 30 EDEDLO Cc1nc(CN2CC[NH+](CCCOc3cccc(C#N)c3)CC2)n[nH]1 ZINC000611431307 449289467 /nfs/dbraw/zinc/28/94/67/449289467.db2.gz NVMBIYVTSIUQBR-UHFFFAOYSA-N 1 2 340.431 1.572 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000590782436 449292356 /nfs/dbraw/zinc/29/23/56/449292356.db2.gz QZDUFXUQDVZGFG-MRXNPFEDSA-N 1 2 337.383 1.865 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602200579 449429018 /nfs/dbraw/zinc/42/90/18/449429018.db2.gz UPCQKNKFJYMVNA-UHFFFAOYSA-N 1 2 335.411 1.657 20 30 EDEDLO COC(=O)Cc1cc[nH+]c(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000596237494 449431981 /nfs/dbraw/zinc/43/19/81/449431981.db2.gz HZOQRSNPXRMMFO-OAHLLOKOSA-N 1 2 338.367 1.721 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC000594219766 449395141 /nfs/dbraw/zinc/39/51/41/449395141.db2.gz JSERIFKFCSUNJT-QGZVFWFLSA-N 1 2 341.459 1.482 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC000594219766 449395143 /nfs/dbraw/zinc/39/51/43/449395143.db2.gz JSERIFKFCSUNJT-QGZVFWFLSA-N 1 2 341.459 1.482 20 30 EDEDLO C[C@@H](NC(=O)N1Cc2ccc(C#N)cc2C1)[C@@H](C)[NH+]1CCOCC1 ZINC000594222690 449396009 /nfs/dbraw/zinc/39/60/09/449396009.db2.gz ZFICABZMUZIOOM-ZIAGYGMSSA-N 1 2 328.416 1.693 20 30 EDEDLO CC(C)(C#N)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000602289099 449493528 /nfs/dbraw/zinc/49/35/28/449493528.db2.gz ZXCDZHRDDBBIBE-OAHLLOKOSA-N 1 2 331.420 1.131 20 30 EDEDLO CC(C)(C#N)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000602289099 449493532 /nfs/dbraw/zinc/49/35/32/449493532.db2.gz ZXCDZHRDDBBIBE-OAHLLOKOSA-N 1 2 331.420 1.131 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000594684733 449624441 /nfs/dbraw/zinc/62/44/41/449624441.db2.gz BWKSTNQSRBKVHF-CYBMUJFWSA-N 1 2 344.444 1.737 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3C#N)nn2)C1 ZINC000600971349 449625023 /nfs/dbraw/zinc/62/50/23/449625023.db2.gz YMCAGLQWLVHLMW-CQSZACIVSA-N 1 2 325.372 1.524 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3C#N)nn2)C1 ZINC000600971349 449625030 /nfs/dbraw/zinc/62/50/30/449625030.db2.gz YMCAGLQWLVHLMW-CQSZACIVSA-N 1 2 325.372 1.524 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598947311 449665520 /nfs/dbraw/zinc/66/55/20/449665520.db2.gz KXLXRDZSQSKRAJ-CYBMUJFWSA-N 1 2 326.356 1.273 20 30 EDEDLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000594794440 449705120 /nfs/dbraw/zinc/70/51/20/449705120.db2.gz FMYLHEISQIRRGG-AWEZNQCLSA-N 1 2 349.456 1.432 20 30 EDEDLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000594794440 449705126 /nfs/dbraw/zinc/70/51/26/449705126.db2.gz FMYLHEISQIRRGG-AWEZNQCLSA-N 1 2 349.456 1.432 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000594816923 449725701 /nfs/dbraw/zinc/72/57/01/449725701.db2.gz MEQYGLHOXJGAPQ-CABCVRRESA-N 1 2 343.493 1.489 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000594816923 449725707 /nfs/dbraw/zinc/72/57/07/449725707.db2.gz MEQYGLHOXJGAPQ-CABCVRRESA-N 1 2 343.493 1.489 20 30 EDEDLO CNS(=O)(=O)c1ccc([C@@H](C)[NH+]2CCN(CCC#N)CC2)cc1 ZINC000601316024 449824809 /nfs/dbraw/zinc/82/48/09/449824809.db2.gz ROYXCKXNKALPRK-CQSZACIVSA-N 1 2 336.461 1.187 20 30 EDEDLO COCC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000597133370 449830005 /nfs/dbraw/zinc/83/00/05/449830005.db2.gz SQQGAQQSWRFJTE-QGZVFWFLSA-N 1 2 348.468 1.877 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000597133370 449830011 /nfs/dbraw/zinc/83/00/11/449830011.db2.gz SQQGAQQSWRFJTE-QGZVFWFLSA-N 1 2 348.468 1.877 20 30 EDEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000599194570 449791688 /nfs/dbraw/zinc/79/16/88/449791688.db2.gz RIGBDXPFYTZPHV-KSZLIROESA-N 1 2 342.443 1.798 20 30 EDEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000599194570 449791692 /nfs/dbraw/zinc/79/16/92/449791692.db2.gz RIGBDXPFYTZPHV-KSZLIROESA-N 1 2 342.443 1.798 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)NCC2(c3ccccc3)CC2)C[C@@H](C)N1CC#N ZINC000602854150 449860855 /nfs/dbraw/zinc/86/08/55/449860855.db2.gz AFKGGGDQKCDEHR-IAGOWNOFSA-N 1 2 340.471 1.753 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@@H](C)N1CC#N ZINC000602854801 449862885 /nfs/dbraw/zinc/86/28/85/449862885.db2.gz DOWLLMCPHMIDLJ-QBPKDAKJSA-N 1 2 334.464 1.075 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)N2CCCc3ccccc32)C[C@@H](C)N1CC#N ZINC000602857011 449866632 /nfs/dbraw/zinc/86/66/32/449866632.db2.gz NVMAAIMQZSCRIH-HZPDHXFCSA-N 1 2 326.444 1.884 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602880951 449887837 /nfs/dbraw/zinc/88/78/37/449887837.db2.gz OQZIPEKOAZYKHP-MRXNPFEDSA-N 1 2 330.413 1.892 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602880951 449887843 /nfs/dbraw/zinc/88/78/43/449887843.db2.gz OQZIPEKOAZYKHP-MRXNPFEDSA-N 1 2 330.413 1.892 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000597241750 449890614 /nfs/dbraw/zinc/89/06/14/449890614.db2.gz GQRRELUQWIEOPZ-RCCFBDPRSA-N 1 2 349.438 1.760 20 30 EDEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597248475 449895149 /nfs/dbraw/zinc/89/51/49/449895149.db2.gz XJBUYHAWVSOCLJ-INIZCTEOSA-N 1 2 342.443 1.997 20 30 EDEDLO COC(=O)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000599372591 449927118 /nfs/dbraw/zinc/92/71/18/449927118.db2.gz XDTLKKUHDPCHCQ-HOTGVXAUSA-N 1 2 338.448 1.769 20 30 EDEDLO CC(C)(CC#N)CS(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000601424608 449943802 /nfs/dbraw/zinc/94/38/02/449943802.db2.gz NLTYQUBMYORUCK-AWEZNQCLSA-N 1 2 329.466 1.053 20 30 EDEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nnc3n2CCOC3)CC1 ZINC000602902181 449908382 /nfs/dbraw/zinc/90/83/82/449908382.db2.gz UWWMOSYKZMIEEE-UHFFFAOYSA-N 1 2 338.415 1.756 20 30 EDEDLO CC1(C)[C@H](NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000601453348 449975950 /nfs/dbraw/zinc/97/59/50/449975950.db2.gz RYZKIIIGLHWVCX-CVEARBPZSA-N 1 2 349.456 1.336 20 30 EDEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000599439490 449976504 /nfs/dbraw/zinc/97/65/04/449976504.db2.gz UIICUHNFYUFHSC-UHFFFAOYSA-N 1 2 341.415 1.487 20 30 EDEDLO COc1cc(C#N)ccc1OCCN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599439490 449976507 /nfs/dbraw/zinc/97/65/07/449976507.db2.gz UIICUHNFYUFHSC-UHFFFAOYSA-N 1 2 341.415 1.487 20 30 EDEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602975367 449976616 /nfs/dbraw/zinc/97/66/16/449976616.db2.gz ABDIUCRYNZETTE-DLBZAZTESA-N 1 2 348.491 1.716 20 30 EDEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602975367 449976621 /nfs/dbraw/zinc/97/66/21/449976621.db2.gz ABDIUCRYNZETTE-DLBZAZTESA-N 1 2 348.491 1.716 20 30 EDEDLO COC(=O)[C@@]1([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC[C@@H](C)CC1 ZINC000599465769 449997709 /nfs/dbraw/zinc/99/77/09/449997709.db2.gz QROYOPUKCDJURP-MPGHIAIKSA-N 1 2 338.448 1.769 20 30 EDEDLO C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@@H](C)N1CC#N ZINC000603099600 450065457 /nfs/dbraw/zinc/06/54/57/450065457.db2.gz SBFLTAUJBUSHNB-BFYDXBDKSA-N 1 2 334.464 1.075 20 30 EDEDLO C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@@H](C)N1CC#N ZINC000603099600 450065464 /nfs/dbraw/zinc/06/54/64/450065464.db2.gz SBFLTAUJBUSHNB-BFYDXBDKSA-N 1 2 334.464 1.075 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609387278 450022629 /nfs/dbraw/zinc/02/26/29/450022629.db2.gz FTPSFRUZGWRNLY-INIZCTEOSA-N 1 2 330.413 1.922 20 30 EDEDLO N#Cc1ccc(NC(=O)Cn2cc(C[NH+]3CCSCC3)nn2)cc1 ZINC000603168144 450108560 /nfs/dbraw/zinc/10/85/60/450108560.db2.gz ONRKAHIHMDCDGM-UHFFFAOYSA-N 1 2 342.428 1.337 20 30 EDEDLO N#Cc1ccc(OCCn2cc(CC[NH+]3CCOCC3)nn2)cc1 ZINC000603179524 450117674 /nfs/dbraw/zinc/11/76/74/450117674.db2.gz XXHOLCXQIAKBCR-UHFFFAOYSA-N 1 2 327.388 1.103 20 30 EDEDLO N#Cc1cccc(CC(=O)N2CCc3[nH]c[nH+]c3C23CCOCC3)c1 ZINC000601655569 450146339 /nfs/dbraw/zinc/14/63/39/450146339.db2.gz QRJCGXJNFKEAFZ-UHFFFAOYSA-N 1 2 336.395 1.914 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@](C)(C#N)C3)c[nH+]2)CCO1 ZINC000595454609 450154180 /nfs/dbraw/zinc/15/41/80/450154180.db2.gz JJLIUSKTUPYOLD-KSSFIOAISA-N 1 2 343.431 1.752 20 30 EDEDLO Cc1cc(NCCNC(=O)Nc2cccc(C#N)n2)nc(C(C)C)[nH+]1 ZINC000599797098 450224725 /nfs/dbraw/zinc/22/47/25/450224725.db2.gz DWAZASHTSFDNIR-UHFFFAOYSA-N 1 2 339.403 2.409 20 30 EDEDLO Cc1nsc(N2CC[NH+](CCO[C@H]3CC3(F)F)CC2)c1C#N ZINC000595495789 450184172 /nfs/dbraw/zinc/18/41/72/450184172.db2.gz SDDIZBHBSJNRPS-LBPRGKRZSA-N 1 2 328.388 1.869 20 30 EDEDLO C=C(C)C[C@H](NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1)C(=O)OC ZINC000601780720 450235947 /nfs/dbraw/zinc/23/59/47/450235947.db2.gz CDTGRVDSILRAIU-ILXRZTDVSA-N 1 2 326.437 1.500 20 30 EDEDLO C=C(C)C[C@H](NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1)C(=O)OC ZINC000601780720 450235952 /nfs/dbraw/zinc/23/59/52/450235952.db2.gz CDTGRVDSILRAIU-ILXRZTDVSA-N 1 2 326.437 1.500 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000595601143 450256573 /nfs/dbraw/zinc/25/65/73/450256573.db2.gz NLLUADTXSIPNBP-HNNXBMFYSA-N 1 2 348.834 1.828 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000619718793 450317940 /nfs/dbraw/zinc/31/79/40/450317940.db2.gz XLSSUUTUEWVTNP-QGZVFWFLSA-N 1 2 334.416 1.549 20 30 EDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000626165654 450597566 /nfs/dbraw/zinc/59/75/66/450597566.db2.gz CAXXBROEYRWNAD-CQSZACIVSA-N 1 2 340.876 1.953 20 30 EDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000626165654 450597569 /nfs/dbraw/zinc/59/75/69/450597569.db2.gz CAXXBROEYRWNAD-CQSZACIVSA-N 1 2 340.876 1.953 20 30 EDEDLO C=CCn1c(-c2cn[nH]c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000624853313 451027937 /nfs/dbraw/zinc/02/79/37/451027937.db2.gz SPCYOIZFVQIKIQ-UHFFFAOYSA-N 1 2 336.403 1.576 20 30 EDEDLO C=C(C)C[C@@H]1NC(=O)N(Cc2cc[nH+]c(N3CCOCC3)c2)C1=O ZINC000630967925 451513888 /nfs/dbraw/zinc/51/38/88/451513888.db2.gz QMSHJRSVSKYDOQ-AWEZNQCLSA-N 1 2 330.388 1.305 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(F)cc2F)nn1 ZINC000640885620 451672562 /nfs/dbraw/zinc/67/25/62/451672562.db2.gz KHJWHCJQYCRQLV-NSHDSACASA-N 1 2 333.342 1.869 20 30 EDEDLO C=CCn1c([C@H]2CCO[C@@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000647371268 452194240 /nfs/dbraw/zinc/19/42/40/452194240.db2.gz NQZPDYVUARYMKB-CABCVRRESA-N 1 2 335.452 1.125 20 30 EDEDLO C=CCOc1cccnc1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056414 452224860 /nfs/dbraw/zinc/22/48/60/452224860.db2.gz ZMRGZBPBLAVYCI-SOUVJXGZSA-N 1 2 333.432 1.874 20 30 EDEDLO C=CCOc1cccnc1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056414 452224864 /nfs/dbraw/zinc/22/48/64/452224864.db2.gz ZMRGZBPBLAVYCI-SOUVJXGZSA-N 1 2 333.432 1.874 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCc2nc(COC)ncc2C1 ZINC000639911463 452233060 /nfs/dbraw/zinc/23/30/60/452233060.db2.gz YUWDCKUWDBIGBV-CQSZACIVSA-N 1 2 332.448 1.794 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCc2nc(COC)ncc2C1 ZINC000639911463 452233064 /nfs/dbraw/zinc/23/30/64/452233064.db2.gz YUWDCKUWDBIGBV-CQSZACIVSA-N 1 2 332.448 1.794 20 30 EDEDLO C=CCCn1cc(CS(=O)(=O)Cc2cn3ccccc3[nH+]2)nn1 ZINC000656173488 452933776 /nfs/dbraw/zinc/93/37/76/452933776.db2.gz UOTJOJKWEDQUAS-UHFFFAOYSA-N 1 2 331.401 1.617 20 30 EDEDLO C=CCn1cc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)nn1 ZINC000648737091 453223516 /nfs/dbraw/zinc/22/35/16/453223516.db2.gz XIZGHTWAVSFSTC-UHFFFAOYSA-N 1 2 326.404 1.779 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)Nc2c[nH+]c3c(C)cccn23)C1=O ZINC000667956704 487031925 /nfs/dbraw/zinc/03/19/25/487031925.db2.gz LTMLGZPUZMQWHU-ZDUSSCGKSA-N 1 2 327.388 1.893 20 30 EDEDLO C=CCn1c(Nc2c(C)nn(C)c2C)nnc1[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000669010770 485549219 /nfs/dbraw/zinc/54/92/19/485549219.db2.gz DJQCRZZTNVNVSB-BXUZGUMPSA-N 1 2 345.451 1.950 20 30 EDEDLO C=CCn1c(Nc2c(C)nn(C)c2C)nnc1[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000669010770 485549221 /nfs/dbraw/zinc/54/92/21/485549221.db2.gz DJQCRZZTNVNVSB-BXUZGUMPSA-N 1 2 345.451 1.950 20 30 EDEDLO C=C(C)[C@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)OCC ZINC000270032494 534332395 /nfs/dbraw/zinc/33/23/95/534332395.db2.gz LYBRIOBOLIEWPH-INIZCTEOSA-N 1 2 333.432 1.906 20 30 EDEDLO Cc1ncc(C[NH+]2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)s1 ZINC000105813992 534738311 /nfs/dbraw/zinc/73/83/11/534738311.db2.gz QCMRKYFNDRGQTK-ZDUSSCGKSA-N 1 2 335.477 1.330 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000103157623 526729931 /nfs/dbraw/zinc/72/99/31/526729931.db2.gz PJSFJLGDSJOXIT-UHFFFAOYSA-N 1 2 330.812 1.809 20 30 EDEDLO C=CC[N@H+](CC(=O)NCCCN1CCCC1=O)Cc1cccs1 ZINC000102695026 527582793 /nfs/dbraw/zinc/58/27/93/527582793.db2.gz LQAXVKFCOMKTGE-UHFFFAOYSA-N 1 2 335.473 1.865 20 30 EDEDLO C=CC[N@@H+](CC(=O)NCCCN1CCCC1=O)Cc1cccs1 ZINC000102695026 527582797 /nfs/dbraw/zinc/58/27/97/527582797.db2.gz LQAXVKFCOMKTGE-UHFFFAOYSA-N 1 2 335.473 1.865 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177408188 527616529 /nfs/dbraw/zinc/61/65/29/527616529.db2.gz PDYYTKVLBHXGAF-KRWDZBQOSA-N 1 2 335.835 1.831 20 30 EDEDLO CC[C@H](C)c1ccc(NC(=O)CO[NH+]=C(N)CN2CCOCC2)cc1 ZINC000111181606 529273531 /nfs/dbraw/zinc/27/35/31/529273531.db2.gz HKROLQROUQBYGN-AWEZNQCLSA-N 1 2 348.447 1.760 20 30 EDEDLO CCCNC(=O)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000042685528 535012781 /nfs/dbraw/zinc/01/27/81/535012781.db2.gz GGPXGMKCINEJQK-UHFFFAOYSA-N 1 2 334.445 1.796 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000330587350 535305777 /nfs/dbraw/zinc/30/57/77/535305777.db2.gz NYJCXIHIVDQQJD-QFBILLFUSA-N 1 2 343.475 1.642 20 30 EDEDLO COCCn1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cn1 ZINC000271040961 536841110 /nfs/dbraw/zinc/84/11/10/536841110.db2.gz MSNRXFZBRVJJNJ-UHFFFAOYSA-N 1 2 325.416 1.723 20 30 EDEDLO CCO[C@@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)C12CCC2 ZINC000741161129 579400077 /nfs/dbraw/zinc/40/00/77/579400077.db2.gz INSCVUPGKODMDL-CQSZACIVSA-N 1 2 340.493 1.118 20 30 EDEDLO C=CCNC(=O)[C@@H](C)OC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741352770 579412437 /nfs/dbraw/zinc/41/24/37/579412437.db2.gz KIJRUCCWGDYDSW-WBVHZDCISA-N 1 2 346.427 1.511 20 30 EDEDLO C=CCNC(=O)[C@@H](C)OC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741352770 579412438 /nfs/dbraw/zinc/41/24/38/579412438.db2.gz KIJRUCCWGDYDSW-WBVHZDCISA-N 1 2 346.427 1.511 20 30 EDEDLO C#CCC[NH+]1CCC(NC(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000743493196 579481988 /nfs/dbraw/zinc/48/19/88/579481988.db2.gz JDKWKYUAMFLNFQ-UHFFFAOYSA-N 1 2 338.411 1.795 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000743916693 579493986 /nfs/dbraw/zinc/49/39/86/579493986.db2.gz COGUJJQKFTVDIL-UHFFFAOYSA-N 1 2 342.330 1.015 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](C[C@@H]3CC3(Cl)Cl)CC2)c1C#N ZINC000788274931 578330450 /nfs/dbraw/zinc/33/04/50/578330450.db2.gz JVKBLGFUGOKFPB-NSHDSACASA-N 1 2 328.247 1.916 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000728801922 578552211 /nfs/dbraw/zinc/55/22/11/578552211.db2.gz HKWKMJXOAMZHLZ-IBGZPJMESA-N 1 2 335.407 1.694 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000728801922 578552212 /nfs/dbraw/zinc/55/22/12/578552212.db2.gz HKWKMJXOAMZHLZ-IBGZPJMESA-N 1 2 335.407 1.694 20 30 EDEDLO C[NH+](C)CCCNC(=S)NN=Cc1cc([N+](=O)[O-])ccc1O ZINC000731928302 578683674 /nfs/dbraw/zinc/68/36/74/578683674.db2.gz IBPNJFAJZHBOSI-UHFFFAOYSA-N 1 2 325.394 1.050 20 30 EDEDLO C[N@@H+](CC(=O)N1CCOCC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000732180172 578695740 /nfs/dbraw/zinc/69/57/40/578695740.db2.gz YXPKBTNHIUIFRK-UHFFFAOYSA-N 1 2 339.399 1.170 20 30 EDEDLO C[N@H+](CC(=O)N1CCOCC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000732180172 578695741 /nfs/dbraw/zinc/69/57/41/578695741.db2.gz YXPKBTNHIUIFRK-UHFFFAOYSA-N 1 2 339.399 1.170 20 30 EDEDLO Cn1c[nH+]c2c1CCN(Cc1nc3ccccc3c(=O)n1CC#N)C2 ZINC000732214041 578698002 /nfs/dbraw/zinc/69/80/02/578698002.db2.gz TVMXJMUOWFQTKF-UHFFFAOYSA-N 1 2 334.383 1.212 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000733161486 578746198 /nfs/dbraw/zinc/74/61/98/578746198.db2.gz SHBZKKHPYPBHSX-UHFFFAOYSA-N 1 2 336.439 1.939 20 30 EDEDLO CCOC[C@H](O)C[NH+]1CCN(c2snc(Cl)c2C#N)CC1 ZINC000736287628 578972334 /nfs/dbraw/zinc/97/23/34/578972334.db2.gz FYYSPMAKEDKQCZ-SNVBAGLBSA-N 1 2 330.841 1.188 20 30 EDEDLO CC[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@@H]1CCCO1 ZINC000744402608 579509620 /nfs/dbraw/zinc/50/96/20/579509620.db2.gz VDVVSCBNJFZUBU-AWEZNQCLSA-N 1 2 326.400 1.921 20 30 EDEDLO CC[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@@H]1CCCO1 ZINC000744402608 579509621 /nfs/dbraw/zinc/50/96/21/579509621.db2.gz VDVVSCBNJFZUBU-AWEZNQCLSA-N 1 2 326.400 1.921 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(CC)Cc2c(F)cccc2F)CC1 ZINC000748813050 579700870 /nfs/dbraw/zinc/70/08/70/579700870.db2.gz QBWVMJADAOPJLZ-UHFFFAOYSA-N 1 2 335.398 1.564 20 30 EDEDLO CCOCCCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000749787194 579739589 /nfs/dbraw/zinc/73/95/89/579739589.db2.gz GEWVTQFTOKWVAW-NSHDSACASA-N 1 2 327.812 1.908 20 30 EDEDLO C#CCOc1ccc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)cc1 ZINC000751005439 579790877 /nfs/dbraw/zinc/79/08/77/579790877.db2.gz SIUFEPIMUNQJHF-UHFFFAOYSA-N 1 2 344.415 1.112 20 30 EDEDLO CCN(CCC#N)C(=O)COC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000754512721 579904983 /nfs/dbraw/zinc/90/49/83/579904983.db2.gz WZDFQIZUJKZHBW-INIZCTEOSA-N 1 2 339.436 1.085 20 30 EDEDLO CCn1cc[nH+]c1CN=Nc1ccc(S(=O)(=O)NC(C)C)cn1 ZINC000755646025 579931728 /nfs/dbraw/zinc/93/17/28/579931728.db2.gz QFUUQHLNASRMIS-UHFFFAOYSA-N 1 2 336.421 1.431 20 30 EDEDLO Cc1cc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc[nH+]1 ZINC000757807096 579971614 /nfs/dbraw/zinc/97/16/14/579971614.db2.gz DIRBPKVCRFCBDP-TZMCWYRMSA-N 1 2 345.403 1.693 20 30 EDEDLO N#Cc1ccc([C@H](O)CS(=O)(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000763243011 580096249 /nfs/dbraw/zinc/09/62/49/580096249.db2.gz XERIXMGHDLKSAT-MRXNPFEDSA-N 1 2 341.392 1.854 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764076183 580112822 /nfs/dbraw/zinc/11/28/22/580112822.db2.gz IUGONBUXKITOBW-FGTMMUONSA-N 1 2 347.409 1.924 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764076183 580112823 /nfs/dbraw/zinc/11/28/23/580112823.db2.gz IUGONBUXKITOBW-FGTMMUONSA-N 1 2 347.409 1.924 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000765171743 580136627 /nfs/dbraw/zinc/13/66/27/580136627.db2.gz OPCYNZOBNCMNDO-UHFFFAOYSA-N 1 2 347.362 1.430 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000765278913 580139164 /nfs/dbraw/zinc/13/91/64/580139164.db2.gz CZVCSOMEYPHVKO-UHFFFAOYSA-N 1 2 329.400 1.685 20 30 EDEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000768220311 580209223 /nfs/dbraw/zinc/20/92/23/580209223.db2.gz NOWUQKCIBNNQHE-UHFFFAOYSA-N 1 2 337.423 1.995 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)CC1 ZINC000772113832 580303566 /nfs/dbraw/zinc/30/35/66/580303566.db2.gz JMVOELIYFVCELW-AWEZNQCLSA-N 1 2 345.424 1.516 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCCO1 ZINC000773245555 580331638 /nfs/dbraw/zinc/33/16/38/580331638.db2.gz KDGAVNUDVXURKL-RDJZCZTQSA-N 1 2 342.374 1.991 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCO1 ZINC000773245553 580331648 /nfs/dbraw/zinc/33/16/48/580331648.db2.gz KDGAVNUDVXURKL-NVXWUHKLSA-N 1 2 342.374 1.991 20 30 EDEDLO COc1ccccc1NC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773979742 580350942 /nfs/dbraw/zinc/35/09/42/580350942.db2.gz KEVBCXYFNUIDLB-QWHCGFSZSA-N 1 2 347.440 1.780 20 30 EDEDLO C#CCOc1ccccc1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000776087843 580407602 /nfs/dbraw/zinc/40/76/02/580407602.db2.gz WIBGMNNXKZFIQG-UHFFFAOYSA-N 1 2 344.415 1.112 20 30 EDEDLO C[C@@H]1C[NH+]=C(NN=C2C(=O)Nc3cc(OC(F)(F)F)ccc32)N1 ZINC000779794681 580497435 /nfs/dbraw/zinc/49/74/35/580497435.db2.gz LCJRYYXDVVLPGT-ZCFIWIBFSA-N 1 2 327.266 1.179 20 30 EDEDLO C[NH+](C)[C@H](C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000780087710 580512386 /nfs/dbraw/zinc/51/23/86/580512386.db2.gz DWKZXDGJCJZQJX-DLBZAZTESA-N 1 2 337.379 1.931 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000784339319 580618789 /nfs/dbraw/zinc/61/87/89/580618789.db2.gz GQQVMOLTZOKBOW-OAQYLSRUSA-N 1 2 325.865 1.708 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(F)nc3C)CC2)c1C#N ZINC000787286519 580691813 /nfs/dbraw/zinc/69/18/13/580691813.db2.gz KUDHMRFJIGEBQP-UHFFFAOYSA-N 1 2 328.395 1.765 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000787462535 580695742 /nfs/dbraw/zinc/69/57/42/580695742.db2.gz JURSZQIFKHVNLT-UHFFFAOYSA-N 1 2 327.388 1.308 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000791068916 580783853 /nfs/dbraw/zinc/78/38/53/580783853.db2.gz FBUFUOUXUBUZRK-IRXDYDNUSA-N 1 2 348.491 1.517 20 30 EDEDLO CC1(C)CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000793590011 580848386 /nfs/dbraw/zinc/84/83/86/580848386.db2.gz KLASBIDFPFOAML-ZDUSSCGKSA-N 1 2 328.372 1.149 20 30 EDEDLO CC1(C)CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000793590011 580848387 /nfs/dbraw/zinc/84/83/87/580848387.db2.gz KLASBIDFPFOAML-ZDUSSCGKSA-N 1 2 328.372 1.149 20 30 EDEDLO C=CC[N@@H+](CCC(=O)N1CCOc2ccccc21)CC(=O)OCC ZINC000794548390 580897157 /nfs/dbraw/zinc/89/71/57/580897157.db2.gz MFCSFHSTLFQRPZ-UHFFFAOYSA-N 1 2 332.400 1.853 20 30 EDEDLO C=CC[N@H+](CCC(=O)N1CCOc2ccccc21)CC(=O)OCC ZINC000794548390 580897158 /nfs/dbraw/zinc/89/71/58/580897158.db2.gz MFCSFHSTLFQRPZ-UHFFFAOYSA-N 1 2 332.400 1.853 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@H+](Cn1cc3c(c(C#N)c1=O)CCC3)CCO2 ZINC000794658428 580901626 /nfs/dbraw/zinc/90/16/26/580901626.db2.gz IJWRBCJAWGSBPD-UGSOOPFHSA-N 1 2 329.400 1.046 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cn1cc3c(c(C#N)c1=O)CCC3)CCO2 ZINC000794658428 580901627 /nfs/dbraw/zinc/90/16/27/580901627.db2.gz IJWRBCJAWGSBPD-UGSOOPFHSA-N 1 2 329.400 1.046 20 30 EDEDLO Cc1ccn(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(=O)c1C#N ZINC000795714046 580935141 /nfs/dbraw/zinc/93/51/41/580935141.db2.gz CPVSYDBSJPMDAS-CQSZACIVSA-N 1 2 329.322 1.765 20 30 EDEDLO Cc1ccn(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(=O)c1C#N ZINC000795714046 580935142 /nfs/dbraw/zinc/93/51/42/580935142.db2.gz CPVSYDBSJPMDAS-CQSZACIVSA-N 1 2 329.322 1.765 20 30 EDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000796632624 580958504 /nfs/dbraw/zinc/95/85/04/580958504.db2.gz XEZMULNMSMRDTP-SNVBAGLBSA-N 1 2 334.326 1.856 20 30 EDEDLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CC1(C#N)CC1 ZINC000797605899 580978125 /nfs/dbraw/zinc/97/81/25/580978125.db2.gz XXBCNHMNGSBCBB-NSHDSACASA-N 1 2 342.852 1.598 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000800903349 581061314 /nfs/dbraw/zinc/06/13/14/581061314.db2.gz WOTXXYRWQMVDSS-ZDUSSCGKSA-N 1 2 333.417 1.441 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)CCc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893564943 590963416 /nfs/dbraw/zinc/96/34/16/590963416.db2.gz CVWGMYMEKNJGEB-YJBOKZPZSA-N 1 2 330.384 1.670 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)CCc2ccc(C#N)cc2)C[N@H+]1C ZINC000893564943 590963419 /nfs/dbraw/zinc/96/34/19/590963419.db2.gz CVWGMYMEKNJGEB-YJBOKZPZSA-N 1 2 330.384 1.670 20 30 EDEDLO C#CC1(O)CN(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000891661110 591173548 /nfs/dbraw/zinc/17/35/48/591173548.db2.gz FLCWHMUKNCUDGX-CQSZACIVSA-N 1 2 328.347 1.038 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000892882250 591214211 /nfs/dbraw/zinc/21/42/11/591214211.db2.gz LIBFSAJHCRPISE-OAHLLOKOSA-N 1 2 327.432 1.395 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C)c(Cl)c2)CC1 ZINC000895919677 591304433 /nfs/dbraw/zinc/30/44/33/591304433.db2.gz AWHXQJRDDAXIQQ-UHFFFAOYSA-N 1 2 341.864 1.234 20 30 EDEDLO Cc1c(C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)cnn1CCC#N ZINC000896680348 591579838 /nfs/dbraw/zinc/57/98/38/591579838.db2.gz UOIVHVYPGLJKSB-LBPRGKRZSA-N 1 2 346.460 1.354 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000895201658 591655527 /nfs/dbraw/zinc/65/55/27/591655527.db2.gz NWGWHVZZYMTPSY-CYBMUJFWSA-N 1 2 340.383 1.956 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](Nc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C1 ZINC000895201658 591655530 /nfs/dbraw/zinc/65/55/30/591655530.db2.gz NWGWHVZZYMTPSY-CYBMUJFWSA-N 1 2 340.383 1.956 20 30 EDEDLO CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C(=O)[C@H]21 ZINC000899895496 591973266 /nfs/dbraw/zinc/97/32/66/591973266.db2.gz USSFTEPFBUWQPI-BIYBGRMPSA-N 1 2 345.443 1.170 20 30 EDEDLO CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C(=O)[C@H]21 ZINC000899895496 591973268 /nfs/dbraw/zinc/97/32/68/591973268.db2.gz USSFTEPFBUWQPI-BIYBGRMPSA-N 1 2 345.443 1.170 20 30 EDEDLO CS(=O)(=O)N(Cc1cn2c([nH+]1)CCCC2)Cc1cncc(C#N)c1 ZINC000902350497 591984986 /nfs/dbraw/zinc/98/49/86/591984986.db2.gz VJTKJMMDFQJBSU-UHFFFAOYSA-N 1 2 345.428 1.448 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)S1 ZINC000900843335 592144801 /nfs/dbraw/zinc/14/48/01/592144801.db2.gz NKXRMVPVZHMYQX-AWEZNQCLSA-N 1 2 343.452 1.280 20 30 EDEDLO CC1(C)CC[N@H+](CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000908083603 592291349 /nfs/dbraw/zinc/29/13/49/592291349.db2.gz UNKVAIYWUGYOSJ-UHFFFAOYSA-N 1 2 343.399 1.847 20 30 EDEDLO CC1(C)CC[N@@H+](CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000908083603 592291352 /nfs/dbraw/zinc/29/13/52/592291352.db2.gz UNKVAIYWUGYOSJ-UHFFFAOYSA-N 1 2 343.399 1.847 20 30 EDEDLO CCn1ncc(/C=C/C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)n1 ZINC000901438190 592363479 /nfs/dbraw/zinc/36/34/79/592363479.db2.gz LXSSMQXZWJPUEC-GQCTYLIASA-N 1 2 342.399 1.732 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(O)Cc1ccccc1 ZINC000904166013 592447650 /nfs/dbraw/zinc/44/76/50/592447650.db2.gz XIPROPXQFRKDKX-MRXNPFEDSA-N 1 2 344.415 1.901 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(O)Cc1ccccc1 ZINC000904166013 592447653 /nfs/dbraw/zinc/44/76/53/592447653.db2.gz XIPROPXQFRKDKX-MRXNPFEDSA-N 1 2 344.415 1.901 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000907027273 592485217 /nfs/dbraw/zinc/48/52/17/592485217.db2.gz SGRLBDOKFHDKHB-WMLDXEAASA-N 1 2 334.441 1.009 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000907269888 592566719 /nfs/dbraw/zinc/56/67/19/592566719.db2.gz WZPNAZCCWKFRJD-HNNXBMFYSA-N 1 2 348.468 1.542 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000907269888 592566722 /nfs/dbraw/zinc/56/67/22/592566722.db2.gz WZPNAZCCWKFRJD-HNNXBMFYSA-N 1 2 348.468 1.542 20 30 EDEDLO C=CCn1c(-c2cccnn2)nnc1N1CCN(C)c2[nH+]cccc2C1 ZINC000908710042 592583900 /nfs/dbraw/zinc/58/39/00/592583900.db2.gz JPEQJBOAXLHJNK-UHFFFAOYSA-N 1 2 348.414 1.773 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(OC)c2OC)C1 ZINC000907397678 592626653 /nfs/dbraw/zinc/62/66/53/592626653.db2.gz WBIAOWARZKMKBL-CYBMUJFWSA-N 1 2 338.429 1.080 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(OC)c2OC)C1 ZINC000907397678 592626656 /nfs/dbraw/zinc/62/66/56/592626656.db2.gz WBIAOWARZKMKBL-CYBMUJFWSA-N 1 2 338.429 1.080 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000907758660 592779995 /nfs/dbraw/zinc/77/99/95/592779995.db2.gz RQIGXTLUZFRHPL-UHFFFAOYSA-N 1 2 327.428 1.699 20 30 EDEDLO C[C@H]1c2c[nH]nc2CC[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000906473496 592834069 /nfs/dbraw/zinc/83/40/69/592834069.db2.gz XXAGGGKTJBUJNL-CABCVRRESA-N 1 2 345.447 1.150 20 30 EDEDLO N#CC1(CNC(=O)c2cccn2CC[NH+]2CCOCC2)CCCC1 ZINC000911873191 593028961 /nfs/dbraw/zinc/02/89/61/593028961.db2.gz SIILLJCRFBWZNX-UHFFFAOYSA-N 1 2 330.432 1.634 20 30 EDEDLO C#CCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)C1CSC1 ZINC000912367166 593090535 /nfs/dbraw/zinc/09/05/35/593090535.db2.gz UVSPMWCIDWBMRN-UHFFFAOYSA-N 1 2 332.473 1.209 20 30 EDEDLO CN(Cc1ccccc1)C(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000787070575 593150459 /nfs/dbraw/zinc/15/04/59/593150459.db2.gz XTAHDBUMPIPURH-JKSUJKDBSA-N 1 2 345.468 1.791 20 30 EDEDLO CN(Cc1ccccc1)C(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000787070575 593150460 /nfs/dbraw/zinc/15/04/60/593150460.db2.gz XTAHDBUMPIPURH-JKSUJKDBSA-N 1 2 345.468 1.791 20 30 EDEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000807283547 593160508 /nfs/dbraw/zinc/16/05/08/593160508.db2.gz BOOLMBZNINLYPC-HOTGVXAUSA-N 1 2 340.383 1.628 20 30 EDEDLO N#CCN1CCC(OC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000805898453 593160753 /nfs/dbraw/zinc/16/07/53/593160753.db2.gz LAQTXJFGECKHIP-UHFFFAOYSA-N 1 2 343.427 1.664 20 30 EDEDLO C[C@H](C#N)OCCON=C(N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000802728632 593272774 /nfs/dbraw/zinc/27/27/74/593272774.db2.gz JMIOLDBEXHYYJU-OAHLLOKOSA-N 1 2 331.420 1.236 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000810043973 593377140 /nfs/dbraw/zinc/37/71/40/593377140.db2.gz KGQUGLARQQIUFI-UHFFFAOYSA-N 1 2 339.380 1.617 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810073955 593380448 /nfs/dbraw/zinc/38/04/48/593380448.db2.gz IQBOJZRENWWSAL-KRWDZBQOSA-N 1 2 338.452 1.592 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810073955 593380451 /nfs/dbraw/zinc/38/04/51/593380451.db2.gz IQBOJZRENWWSAL-KRWDZBQOSA-N 1 2 338.452 1.592 20 30 EDEDLO C#CCNC(=S)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000758183560 593395186 /nfs/dbraw/zinc/39/51/86/593395186.db2.gz IBYVWWQLQMSJPQ-UHFFFAOYSA-N 1 2 331.441 1.083 20 30 EDEDLO C#C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000806441931 593445774 /nfs/dbraw/zinc/44/57/74/593445774.db2.gz GXDAZNONXQNWHA-CQSZACIVSA-N 1 2 328.416 1.494 20 30 EDEDLO N#CC1(c2ccccn2)CC[NH+](CN2C(=O)CC3(CCC3)C2=O)CC1 ZINC000840067432 593461272 /nfs/dbraw/zinc/46/12/72/593461272.db2.gz LLLIYFQFLHDOFB-UHFFFAOYSA-N 1 2 338.411 1.825 20 30 EDEDLO Cc1ccc(C)c(S(=O)(=O)NN=Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000811629778 593475418 /nfs/dbraw/zinc/47/54/18/593475418.db2.gz GGASSXCJXPXWTQ-UHFFFAOYSA-N 1 2 335.433 1.415 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cccc(C2CC2)c1 ZINC000817321880 593592401 /nfs/dbraw/zinc/59/24/01/593592401.db2.gz FJRGTPGBZUOYKO-UHFFFAOYSA-N 1 2 332.473 1.694 20 30 EDEDLO CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@@H+](C3CC3)C[C@@H]2C)o1 ZINC000820108779 593791881 /nfs/dbraw/zinc/79/18/81/593791881.db2.gz SJFVHLWAMABSGC-JTQLQIEISA-N 1 2 344.423 1.935 20 30 EDEDLO CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@H+](C3CC3)C[C@@H]2C)o1 ZINC000820108779 593791882 /nfs/dbraw/zinc/79/18/82/593791882.db2.gz SJFVHLWAMABSGC-JTQLQIEISA-N 1 2 344.423 1.935 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)S1 ZINC000823890900 593881169 /nfs/dbraw/zinc/88/11/69/593881169.db2.gz DGKKANFLDVFTEL-QWHCGFSZSA-N 1 2 335.477 1.887 20 30 EDEDLO C=CC[N@@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000823904282 593884576 /nfs/dbraw/zinc/88/45/76/593884576.db2.gz ZNGRNMAHLFJVCU-UHFFFAOYSA-N 1 2 335.433 1.537 20 30 EDEDLO C=CC[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000823904282 593884578 /nfs/dbraw/zinc/88/45/78/593884578.db2.gz ZNGRNMAHLFJVCU-UHFFFAOYSA-N 1 2 335.433 1.537 20 30 EDEDLO C#CCO[C@H](C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000822524548 594062099 /nfs/dbraw/zinc/06/20/99/594062099.db2.gz YXZCULWCXSOILG-SOUVJXGZSA-N 1 2 331.416 1.350 20 30 EDEDLO C#CCCOc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000823128909 594157355 /nfs/dbraw/zinc/15/73/55/594157355.db2.gz KWKRYCFGFFCBKC-JKSUJKDBSA-N 1 2 330.428 1.928 20 30 EDEDLO C#C[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)C1CCOCC1 ZINC000823158618 594162052 /nfs/dbraw/zinc/16/20/52/594162052.db2.gz JAXGWASMWCIMFA-HUUCEWRRSA-N 1 2 348.447 1.207 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cnn3c2CCC3)[C@@H](C#N)C1 ZINC000825509382 594194721 /nfs/dbraw/zinc/19/47/21/594194721.db2.gz JXPDSVUZHNHGTK-JSGCOSHPSA-N 1 2 331.420 1.678 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)S1 ZINC000827685364 594257759 /nfs/dbraw/zinc/25/77/59/594257759.db2.gz MEKVZMTXFMKXJX-SNVBAGLBSA-N 1 2 332.389 1.475 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000829983460 594306691 /nfs/dbraw/zinc/30/66/91/594306691.db2.gz VKPQLQABHDAXBY-BEFAXECRSA-N 1 2 342.443 1.964 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829983460 594306695 /nfs/dbraw/zinc/30/66/95/594306695.db2.gz VKPQLQABHDAXBY-BEFAXECRSA-N 1 2 342.443 1.964 20 30 EDEDLO N#Cc1cnccc1C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000828457359 594425516 /nfs/dbraw/zinc/42/55/16/594425516.db2.gz PSQLIJXZNRGCTF-UHFFFAOYSA-N 1 2 326.322 1.844 20 30 EDEDLO NC(=[NH+]OCc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CCO2 ZINC000826389168 594456348 /nfs/dbraw/zinc/45/63/48/594456348.db2.gz RHKGUUXZIFQCAR-UHFFFAOYSA-N 1 2 336.355 1.639 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000829048026 594557445 /nfs/dbraw/zinc/55/74/45/594557445.db2.gz JTDLGIFSPFIGIP-AWEZNQCLSA-N 1 2 331.407 1.645 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000829048026 594557446 /nfs/dbraw/zinc/55/74/46/594557446.db2.gz JTDLGIFSPFIGIP-AWEZNQCLSA-N 1 2 331.407 1.645 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(N)c(OC(F)(F)F)c2)CC1 ZINC000827519917 594678309 /nfs/dbraw/zinc/67/83/09/594678309.db2.gz WWRZIESSUXXIKI-UHFFFAOYSA-N 1 2 327.306 1.558 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)NCCc2ccccc2C)CC1 ZINC000831687079 594692547 /nfs/dbraw/zinc/69/25/47/594692547.db2.gz GUTHBFHRAOIYMF-UHFFFAOYSA-N 1 2 343.427 1.433 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 ZINC000832392927 594747032 /nfs/dbraw/zinc/74/70/32/594747032.db2.gz BSEVHEJZEQJEKH-LBPRGKRZSA-N 1 2 338.371 1.031 20 30 EDEDLO Cn1c(=O)c2ccccc2nc1N=NCC(C)(C)[NH+]1CCOCC1 ZINC000841615895 594929287 /nfs/dbraw/zinc/92/92/87/594929287.db2.gz CVPRUQSLXRBJGV-UHFFFAOYSA-N 1 2 329.404 1.442 20 30 EDEDLO COc1ccc(C(N)=[NH+]O[C@@H](C(=O)N2CCOCC2)C(C)C)cc1 ZINC000842021527 595003763 /nfs/dbraw/zinc/00/37/63/595003763.db2.gz PVMSCQIDOLCKBN-OAHLLOKOSA-N 1 2 335.404 1.216 20 30 EDEDLO C=C[C@@H](C)ONC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000845643048 595037865 /nfs/dbraw/zinc/03/78/65/595037865.db2.gz VTMYZBVNPKNCOY-OAHLLOKOSA-N 1 2 349.431 1.703 20 30 EDEDLO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000834488541 595140379 /nfs/dbraw/zinc/14/03/79/595140379.db2.gz DFNDFAAEXLSWTG-RDDDGLTNSA-N 1 2 334.177 1.167 20 30 EDEDLO C#CCOc1ccc(C(=O)O[C@@H](COC)C[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000842972256 595251593 /nfs/dbraw/zinc/25/15/93/595251593.db2.gz UYTWQTFGZWEERS-MAUKXSAKSA-N 1 2 347.411 1.591 20 30 EDEDLO C#CCOc1ccc(C(=O)O[C@@H](COC)C[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000842972256 595251596 /nfs/dbraw/zinc/25/15/96/595251596.db2.gz UYTWQTFGZWEERS-MAUKXSAKSA-N 1 2 347.411 1.591 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](C[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC000846960433 595343042 /nfs/dbraw/zinc/34/30/42/595343042.db2.gz TXFLRPYNJRHVKG-HNNXBMFYSA-N 1 2 348.399 1.516 20 30 EDEDLO C#Cc1cccc(CNC(=O)N2CC[NH+](CCOCCOC)CC2)c1 ZINC000845247196 595468273 /nfs/dbraw/zinc/46/82/73/595468273.db2.gz RAKVPODZFPXIIK-UHFFFAOYSA-N 1 2 345.443 1.158 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2[nH]c(C)c(C(=O)OC)c2CCC)CC1 ZINC000112920953 595569437 /nfs/dbraw/zinc/56/94/37/595569437.db2.gz UMOIOGWOXMEDLN-UHFFFAOYSA-N 1 2 331.416 1.453 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000860197123 595610122 /nfs/dbraw/zinc/61/01/22/595610122.db2.gz QOYNQVUQOKUVFC-LBPRGKRZSA-N 1 2 325.409 1.459 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000860197123 595610124 /nfs/dbraw/zinc/61/01/24/595610124.db2.gz QOYNQVUQOKUVFC-LBPRGKRZSA-N 1 2 325.409 1.459 20 30 EDEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857942879 595660959 /nfs/dbraw/zinc/66/09/59/595660959.db2.gz BEPOCPOTQXSFDD-SJKOYZFVSA-N 1 2 332.404 1.576 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(Cl)nc3cc(C)nn32)CC1 ZINC000853104261 595665648 /nfs/dbraw/zinc/66/56/48/595665648.db2.gz GVEAKAQBUSSJPD-UHFFFAOYSA-N 1 2 348.838 1.115 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC(NC(=O)COC)CC1 ZINC000853169734 595689511 /nfs/dbraw/zinc/68/95/11/595689511.db2.gz JBFWMJRKAQAKNI-UHFFFAOYSA-N 1 2 331.416 1.605 20 30 EDEDLO CC(C)[C@@H]1CCN(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000853513795 595778512 /nfs/dbraw/zinc/77/85/12/595778512.db2.gz DBBDFSQIQJNIAM-HOTGVXAUSA-N 1 2 328.416 1.868 20 30 EDEDLO CC(C)[C@@H]1CCN(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000853513795 595778514 /nfs/dbraw/zinc/77/85/14/595778514.db2.gz DBBDFSQIQJNIAM-HOTGVXAUSA-N 1 2 328.416 1.868 20 30 EDEDLO CC(C)NC(=O)[C@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000853601561 595825200 /nfs/dbraw/zinc/82/52/00/595825200.db2.gz JUJWMXMJLQHBRJ-LBPRGKRZSA-N 1 2 336.465 1.211 20 30 EDEDLO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000853601561 595825202 /nfs/dbraw/zinc/82/52/02/595825202.db2.gz JUJWMXMJLQHBRJ-LBPRGKRZSA-N 1 2 336.465 1.211 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)c1 ZINC000858645320 595854243 /nfs/dbraw/zinc/85/42/43/595854243.db2.gz LKWDRSUHZBNUPB-OAHLLOKOSA-N 1 2 336.395 1.490 20 30 EDEDLO C#C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000856113142 595899414 /nfs/dbraw/zinc/89/94/14/595899414.db2.gz NUAWSCRWXKFBCF-LJQANCHMSA-N 1 2 342.439 1.677 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)OCC2CCCCC2)CC1 ZINC000858994987 595943655 /nfs/dbraw/zinc/94/36/55/595943655.db2.gz JABKXGRFKRXFTI-UHFFFAOYSA-N 1 2 335.448 1.460 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)OCC2CCCCC2)CC1 ZINC000858994987 595943660 /nfs/dbraw/zinc/94/36/60/595943660.db2.gz JABKXGRFKRXFTI-UHFFFAOYSA-N 1 2 335.448 1.460 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000854006523 595950649 /nfs/dbraw/zinc/95/06/49/595950649.db2.gz IDGSBLWZJUXZFQ-CYBMUJFWSA-N 1 2 332.404 1.184 20 30 EDEDLO C#CC[C@H](COC)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000859031848 595956764 /nfs/dbraw/zinc/95/67/64/595956764.db2.gz YSGDIWQVZLLRBL-DOTOQJQBSA-N 1 2 330.432 1.508 20 30 EDEDLO C#C[C@H](CC)NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000854070896 595967263 /nfs/dbraw/zinc/96/72/63/595967263.db2.gz UBXRETIFXJBHEB-OAHLLOKOSA-N 1 2 325.416 1.573 20 30 EDEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000859348927 596058620 /nfs/dbraw/zinc/05/86/20/596058620.db2.gz KFRVWKPDWPRCPT-OAHLLOKOSA-N 1 2 336.432 1.335 20 30 EDEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000859348927 596058625 /nfs/dbraw/zinc/05/86/25/596058625.db2.gz KFRVWKPDWPRCPT-OAHLLOKOSA-N 1 2 336.432 1.335 20 30 EDEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000852193396 596081249 /nfs/dbraw/zinc/08/12/49/596081249.db2.gz MRKABTMYHJLNFR-UHFFFAOYSA-N 1 2 346.406 1.704 20 30 EDEDLO CCCCCCCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000859435087 596095475 /nfs/dbraw/zinc/09/54/75/596095475.db2.gz RQNDEHYCXLHLPF-HNNXBMFYSA-N 1 2 325.453 1.006 20 30 EDEDLO C#C[C@@](C)(CC)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000854698550 596164782 /nfs/dbraw/zinc/16/47/82/596164782.db2.gz BKFYHOJLTNFVNY-IBGZPJMESA-N 1 2 330.428 1.980 20 30 EDEDLO C#C[C@@](C)(CC)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000854698550 596164783 /nfs/dbraw/zinc/16/47/83/596164783.db2.gz BKFYHOJLTNFVNY-IBGZPJMESA-N 1 2 330.428 1.980 20 30 EDEDLO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)ccc1C#N ZINC000854729784 596178327 /nfs/dbraw/zinc/17/83/27/596178327.db2.gz DMMHNFGRWYDPAH-MRXNPFEDSA-N 1 2 329.400 1.504 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000852488970 596179557 /nfs/dbraw/zinc/17/95/57/596179557.db2.gz DTJPBQWSPCNTDY-UHFFFAOYSA-N 1 2 336.233 1.321 20 30 EDEDLO N#Cc1ccc(-c2cc(N3CC[NH+](CC4OCCO4)CC3)n[nH]2)cc1 ZINC000852490929 596180476 /nfs/dbraw/zinc/18/04/76/596180476.db2.gz QRCAHGSECQMZBY-UHFFFAOYSA-N 1 2 339.399 1.443 20 30 EDEDLO N#Cc1ccc(NCCNC(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)nc1 ZINC000864822789 596372879 /nfs/dbraw/zinc/37/28/79/596372879.db2.gz OJVDXQGBHXSNIT-ZDUSSCGKSA-N 1 2 337.374 1.458 20 30 EDEDLO N#Cc1ccc(NCCNC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)nc1 ZINC000864822789 596372880 /nfs/dbraw/zinc/37/28/80/596372880.db2.gz OJVDXQGBHXSNIT-ZDUSSCGKSA-N 1 2 337.374 1.458 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000865089489 596469702 /nfs/dbraw/zinc/46/97/02/596469702.db2.gz DZKPQILKLKIYAZ-MRXNPFEDSA-N 1 2 343.406 1.708 20 30 EDEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000867680363 596492936 /nfs/dbraw/zinc/49/29/36/596492936.db2.gz JKOPTIHINHAZHL-UHFFFAOYSA-N 1 2 346.412 1.970 20 30 EDEDLO N#CC1(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)CC2(CC2)C1 ZINC000869350306 596496882 /nfs/dbraw/zinc/49/68/82/596496882.db2.gz YYJAKRXZAZVIRN-LSDHHAIUSA-N 1 2 338.411 1.447 20 30 EDEDLO N#CCc1ccsc1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871219959 596501832 /nfs/dbraw/zinc/50/18/32/596501832.db2.gz JYHGJJQIUQTIPN-UHFFFAOYSA-N 1 2 341.440 1.605 20 30 EDEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000865464731 596583168 /nfs/dbraw/zinc/58/31/68/596583168.db2.gz NZYFTWNQTALABM-OAHLLOKOSA-N 1 2 326.400 1.616 20 30 EDEDLO CN1CCN(S(=O)(=O)c2ccc(C#N)cc2F)Cc2ccc[nH+]c21 ZINC000867899432 596607695 /nfs/dbraw/zinc/60/76/95/596607695.db2.gz AORAKRJAMTYXSL-UHFFFAOYSA-N 1 2 346.387 1.733 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(Br)cn3ccnc23)CC1 ZINC000865795833 596687418 /nfs/dbraw/zinc/68/74/18/596687418.db2.gz SRLLYVDYURQZGX-UHFFFAOYSA-N 1 2 347.216 1.488 20 30 EDEDLO C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(=O)OCC ZINC000870035165 596718933 /nfs/dbraw/zinc/71/89/33/596718933.db2.gz MYOJZIQYAXYLGX-DGCLKSJQSA-N 1 2 325.796 1.636 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000870093486 596747730 /nfs/dbraw/zinc/74/77/30/596747730.db2.gz JPMAZSVLERAARR-INIZCTEOSA-N 1 2 335.411 1.666 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCO1 ZINC000868368134 596807110 /nfs/dbraw/zinc/80/71/10/596807110.db2.gz BBHVVDJVBKARNM-QGZVFWFLSA-N 1 2 342.443 1.435 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCO1 ZINC000868368134 596807112 /nfs/dbraw/zinc/80/71/12/596807112.db2.gz BBHVVDJVBKARNM-QGZVFWFLSA-N 1 2 342.443 1.435 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(C)cc(C(F)(F)F)n2)CC1 ZINC000874264737 596991253 /nfs/dbraw/zinc/99/12/53/596991253.db2.gz XZSWVJAXOOLDRH-UHFFFAOYSA-N 1 2 326.322 1.585 20 30 EDEDLO Cc1ccn(C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)c(=O)c1C#N ZINC000872660731 597016200 /nfs/dbraw/zinc/01/62/00/597016200.db2.gz VZTHXORLFGRBAX-UHFFFAOYSA-N 1 2 336.395 1.072 20 30 EDEDLO Cc1ccn(C[N@H+]2CCc3c(CC(N)=O)cccc3C2)c(=O)c1C#N ZINC000872660731 597016204 /nfs/dbraw/zinc/01/62/04/597016204.db2.gz VZTHXORLFGRBAX-UHFFFAOYSA-N 1 2 336.395 1.072 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCOc2ccc(CCC(C)=O)cc2)CC1 ZINC000124302542 597112974 /nfs/dbraw/zinc/11/29/74/597112974.db2.gz JKTLQLXJUDQZDY-UHFFFAOYSA-N 1 2 342.439 1.755 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C(C)(C)c2ccc3c(c2)OCCO3)CC1 ZINC000124304288 597113545 /nfs/dbraw/zinc/11/35/45/597113545.db2.gz MRGZDNCJGCUIJQ-UHFFFAOYSA-N 1 2 328.412 1.513 20 30 EDEDLO CN(C)c1ccc(C#N)cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000876509376 597225402 /nfs/dbraw/zinc/22/54/02/597225402.db2.gz CCNKZJSMVXXUDB-UHFFFAOYSA-N 1 2 341.459 1.672 20 30 EDEDLO C=CCSCCNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000875131461 597295208 /nfs/dbraw/zinc/29/52/08/597295208.db2.gz DIVRGWCEMGVNEF-HNNXBMFYSA-N 1 2 333.457 1.325 20 30 EDEDLO C=CCSCCNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000875131461 597295211 /nfs/dbraw/zinc/29/52/11/597295211.db2.gz DIVRGWCEMGVNEF-HNNXBMFYSA-N 1 2 333.457 1.325 20 30 EDEDLO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877592290 597539889 /nfs/dbraw/zinc/53/98/89/597539889.db2.gz FRBJSVBYYTWXGV-LBPRGKRZSA-N 1 2 325.821 1.945 20 30 EDEDLO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877592290 597539890 /nfs/dbraw/zinc/53/98/90/597539890.db2.gz FRBJSVBYYTWXGV-LBPRGKRZSA-N 1 2 325.821 1.945 20 30 EDEDLO C=C(Cl)C[C@@H](NC1CC[NH+](CC(=O)OC)CC1)C(=O)OCC ZINC000877671277 597546575 /nfs/dbraw/zinc/54/65/75/597546575.db2.gz HAWZVIXBDNSMIJ-CYBMUJFWSA-N 1 2 332.828 1.288 20 30 EDEDLO C=C(C)COc1cc(C[N@H+](C)CCS(N)(=O)=O)ccc1OC ZINC000877827208 597560797 /nfs/dbraw/zinc/56/07/97/597560797.db2.gz OZSPLILJIXILBN-UHFFFAOYSA-N 1 2 328.434 1.370 20 30 EDEDLO C=C(C)COc1cc(C[N@@H+](C)CCS(N)(=O)=O)ccc1OC ZINC000877827208 597560798 /nfs/dbraw/zinc/56/07/98/597560798.db2.gz OZSPLILJIXILBN-UHFFFAOYSA-N 1 2 328.434 1.370 20 30 EDEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(C(=O)N(C)C)CC1)c1ccccc1 ZINC000877897613 597562688 /nfs/dbraw/zinc/56/26/88/597562688.db2.gz NMCOPHXXHFTUBP-LJQANCHMSA-N 1 2 342.443 1.726 20 30 EDEDLO CC1CCN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000879585406 597645277 /nfs/dbraw/zinc/64/52/77/597645277.db2.gz XJDXUUMRKYXVCW-UHFFFAOYSA-N 1 2 326.444 1.939 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C[C@@H](C)O1 ZINC000879590946 597648143 /nfs/dbraw/zinc/64/81/43/597648143.db2.gz OCMZNCFVUGGWJV-HZPDHXFCSA-N 1 2 346.450 1.929 20 30 EDEDLO CC(C)(O)C1CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000879627712 597664811 /nfs/dbraw/zinc/66/48/11/597664811.db2.gz PSTWRRVAIGIUOS-UHFFFAOYSA-N 1 2 340.427 1.903 20 30 EDEDLO COCC#CC[N@@H+]1C[C@@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000880218409 597875278 /nfs/dbraw/zinc/87/52/78/597875278.db2.gz HUBCSNNNHITXMO-CRAIPNDOSA-N 1 2 338.448 1.737 20 30 EDEDLO COCC#CC[N@H+]1C[C@@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000880218409 597875280 /nfs/dbraw/zinc/87/52/80/597875280.db2.gz HUBCSNNNHITXMO-CRAIPNDOSA-N 1 2 338.448 1.737 20 30 EDEDLO C#CCC1(O)CC[NH+](CCS(=O)(=O)c2cccc(OC)c2)CC1 ZINC000880479534 597941842 /nfs/dbraw/zinc/94/18/42/597941842.db2.gz QYMZBRLZKFUTRG-UHFFFAOYSA-N 1 2 337.441 1.319 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](OC)c1ccccc1Cl ZINC000884173771 598014281 /nfs/dbraw/zinc/01/42/81/598014281.db2.gz DAMAAKFYAPMMRS-KBPBESRZSA-N 1 2 340.807 1.590 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1csc(C(C)(C)C)n1 ZINC000884319781 598064881 /nfs/dbraw/zinc/06/48/81/598064881.db2.gz DAGXUFWVVPQECQ-LBPRGKRZSA-N 1 2 339.461 1.546 20 30 EDEDLO N#CCc1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000881146368 598086735 /nfs/dbraw/zinc/08/67/35/598086735.db2.gz PKQDJELVCWHLBD-HNNXBMFYSA-N 1 2 329.404 1.476 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000884391916 598091031 /nfs/dbraw/zinc/09/10/31/598091031.db2.gz MYZIACVBLPEVQW-OUAUKWLOSA-N 1 2 338.326 1.049 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000884418936 598099475 /nfs/dbraw/zinc/09/94/75/598099475.db2.gz APAIJLBINROXQA-VWYCJHECSA-N 1 2 338.326 1.001 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC(C)(C)Cc1ccc(C#N)cc1 ZINC000914082875 695080501 /nfs/dbraw/zinc/08/05/01/695080501.db2.gz LMUDDXZFVXMGKB-HNNXBMFYSA-N 1 2 344.459 1.899 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C[C@H]1C ZINC000914126459 695134325 /nfs/dbraw/zinc/13/43/25/695134325.db2.gz ZNQVRGMCUICJKV-GFCCVEGCSA-N 1 2 343.474 1.102 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C[C@H]1C ZINC000914126459 695134327 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348.447 1.093 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H]1C ZINC000994483962 696924053 /nfs/dbraw/zinc/92/40/53/696924053.db2.gz IIRKSERHRGUZKV-NWDGAFQWSA-N 1 2 326.828 1.059 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H]1C ZINC000994483962 696924056 /nfs/dbraw/zinc/92/40/56/696924056.db2.gz IIRKSERHRGUZKV-NWDGAFQWSA-N 1 2 326.828 1.059 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000994562758 697137952 /nfs/dbraw/zinc/13/79/52/697137952.db2.gz MIWCIMKEOCSAHE-FZKQIMNGSA-N 1 2 330.432 1.375 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)C3=COCCO3)C2)cc1F ZINC001031527402 697214224 /nfs/dbraw/zinc/21/42/24/697214224.db2.gz DOKXUEFYXONLAZ-UHFFFAOYSA-N 1 2 331.347 1.134 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3cc[n+]([O-])cc3)C2)ccc1F ZINC001031530836 697215710 /nfs/dbraw/zinc/21/57/10/697215710.db2.gz DOGWORHJRWZDJX-UHFFFAOYSA-N 1 2 340.358 1.193 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1COCCO1 ZINC001031554835 697240773 /nfs/dbraw/zinc/24/07/73/697240773.db2.gz KFMGBXWECSNGMS-QGZVFWFLSA-N 1 2 348.830 1.155 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCOC3)C2)c(F)c1 ZINC001031576876 697272485 /nfs/dbraw/zinc/27/24/85/697272485.db2.gz GKEFGHXWAVIVGK-INIZCTEOSA-N 1 2 331.391 1.672 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3CCCOC3)C2)c1 ZINC001031578459 697273230 /nfs/dbraw/zinc/27/32/30/697273230.db2.gz YINWOEQFMPEIJA-OAHLLOKOSA-N 1 2 331.391 1.672 20 30 EDEDLO CC(C)(C#N)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000919352848 697273246 /nfs/dbraw/zinc/27/32/46/697273246.db2.gz UQHHGCXCCLZHEQ-UHFFFAOYSA-N 1 2 335.429 1.485 20 30 EDEDLO N#Cc1ccc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC001031619034 697336088 /nfs/dbraw/zinc/33/60/88/697336088.db2.gz IMQFTNKDVQEGQD-UHFFFAOYSA-N 1 2 336.370 1.739 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCC[C@@H](C#N)C2)nc[nH+]1 ZINC000920835815 697484338 /nfs/dbraw/zinc/48/43/38/697484338.db2.gz NNKIODVAKMANJH-KBPBESRZSA-N 1 2 343.435 1.432 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCC[C@@H](C#N)C2)[nH+]cn1 ZINC000920835815 697484340 /nfs/dbraw/zinc/48/43/40/697484340.db2.gz NNKIODVAKMANJH-KBPBESRZSA-N 1 2 343.435 1.432 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@@H](C)C1 ZINC000943548412 698492961 /nfs/dbraw/zinc/49/29/61/698492961.db2.gz NICCOVIHKGONBP-ONGXEEELSA-N 1 2 342.241 1.164 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@@H](C)C1 ZINC000943548412 698492962 /nfs/dbraw/zinc/49/29/62/698492962.db2.gz NICCOVIHKGONBP-ONGXEEELSA-N 1 2 342.241 1.164 20 30 EDEDLO Cc1ncn(C)c1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031747325 698901053 /nfs/dbraw/zinc/90/10/53/698901053.db2.gz HYCLBBCDZHXGLJ-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@]34CCO[C@H]3CCCC4)CC2)C1 ZINC000941483988 701554454 /nfs/dbraw/zinc/55/44/54/701554454.db2.gz LWWVJDZSMUGNIU-ICSRJNTNSA-N 1 2 345.487 1.187 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cccc(C)c3Cl)CC2)C1 ZINC000941484603 701554927 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C#CC[NH+]1CC(N2CCN(C(=O)c3ncsc3C(C)C)CC2)C1 ZINC000941636796 701602106 /nfs/dbraw/zinc/60/21/06/701602106.db2.gz UPLFHNZFPQBYLN-UHFFFAOYSA-N 1 2 332.473 1.342 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)C1 ZINC000941657004 701606689 /nfs/dbraw/zinc/60/66/89/701606689.db2.gz PLQJCCBFHJRDIH-UHFFFAOYSA-N 1 2 325.456 1.769 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3(c4ccccc4)CC3)CC2)C1 ZINC000941657639 701606995 /nfs/dbraw/zinc/60/69/95/701606995.db2.gz FUOJXGZOYVLRRY-UHFFFAOYSA-N 1 2 337.467 1.570 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3ccc(F)c(F)c3)CC2)C1 ZINC000941672366 701613708 /nfs/dbraw/zinc/61/37/08/701613708.db2.gz UDHJSSCDVJLMJX-AWEZNQCLSA-N 1 2 347.409 1.530 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3ccccc3C)CC2)C1 ZINC000941674770 701614688 /nfs/dbraw/zinc/61/46/88/701614688.db2.gz KUVMBNUMHZISHK-GOSISDBHSA-N 1 2 339.483 1.950 20 30 EDEDLO NC(=NOCCOCC1CC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000181608049 699860045 /nfs/dbraw/zinc/86/00/45/699860045.db2.gz SWYQQTAWLIFKKX-UHFFFAOYSA-N 1 2 333.432 1.582 20 30 EDEDLO Cn1c(Cl)ncc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031847399 699910139 /nfs/dbraw/zinc/91/01/39/699910139.db2.gz QJEPZHDOQRCYJU-UHFFFAOYSA-N 1 2 349.847 1.868 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc(CC(C)C)s3)CC2)C1 ZINC000941682518 701627436 /nfs/dbraw/zinc/62/74/36/701627436.db2.gz WEZYTHWJUVGGAL-UHFFFAOYSA-N 1 2 346.500 1.417 20 30 EDEDLO CC1(C)C[N@H+](Cc2ncccn2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940656554 700819029 /nfs/dbraw/zinc/81/90/29/700819029.db2.gz DQFYAGXGBBODSE-OAHLLOKOSA-N 1 2 338.415 1.707 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ncccn2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940656554 700819031 /nfs/dbraw/zinc/81/90/31/700819031.db2.gz DQFYAGXGBBODSE-OAHLLOKOSA-N 1 2 338.415 1.707 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000941218023 701400708 /nfs/dbraw/zinc/40/07/08/701400708.db2.gz CPZXLJSQDGMZGQ-ZIAGYGMSSA-N 1 2 330.432 1.375 20 30 EDEDLO CC(C)CC(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941284741 701444069 /nfs/dbraw/zinc/44/40/69/701444069.db2.gz WFWLVUVRYIGKTP-UHFFFAOYSA-N 1 2 340.471 1.933 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C(C)C)nc3)CC2)C1 ZINC000941437249 701540414 /nfs/dbraw/zinc/54/04/14/701540414.db2.gz XLOAPBOCHCQVQD-UHFFFAOYSA-N 1 2 340.471 1.670 20 30 EDEDLO CCc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995790179 702083980 /nfs/dbraw/zinc/08/39/80/702083980.db2.gz HFVPQJWJCWCVAE-GXTWGEPZSA-N 1 2 330.432 1.933 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC000942130994 702635340 /nfs/dbraw/zinc/63/53/40/702635340.db2.gz QYVLGCHFGNIJFC-HIFRSBDPSA-N 1 2 342.447 1.741 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC000942130994 702635341 /nfs/dbraw/zinc/63/53/41/702635341.db2.gz QYVLGCHFGNIJFC-HIFRSBDPSA-N 1 2 342.447 1.741 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)C[C@@H]2C)cc1 ZINC000942553205 703065429 /nfs/dbraw/zinc/06/54/29/703065429.db2.gz MRYDWOCMMMNVPS-YOEHRIQHSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)C[C@@H]2C)cc1 ZINC000942553205 703065432 /nfs/dbraw/zinc/06/54/32/703065432.db2.gz MRYDWOCMMMNVPS-YOEHRIQHSA-N 1 2 337.427 1.437 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)C[C@H]2C)CC1 ZINC000942600731 703116452 /nfs/dbraw/zinc/11/64/52/703116452.db2.gz UMPPACAQBJHVSA-ZBFHGGJFSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)C[C@H]2C)CC1 ZINC000942600731 703116454 /nfs/dbraw/zinc/11/64/54/703116454.db2.gz UMPPACAQBJHVSA-ZBFHGGJFSA-N 1 2 331.464 1.888 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2COC(=O)C2)s1 ZINC001032355078 703205061 /nfs/dbraw/zinc/20/50/61/703205061.db2.gz FIASBLNDZGTSNM-AVGNSLFASA-N 1 2 345.424 1.358 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2COC(=O)C2)s1 ZINC001032355078 703205062 /nfs/dbraw/zinc/20/50/62/703205062.db2.gz FIASBLNDZGTSNM-AVGNSLFASA-N 1 2 345.424 1.358 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001032401152 703415691 /nfs/dbraw/zinc/41/56/91/703415691.db2.gz IDAWJMWOWGLWCI-PVAVHDDUSA-N 1 2 328.387 1.685 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2cc(F)ccc2C1 ZINC001032401152 703415693 /nfs/dbraw/zinc/41/56/93/703415693.db2.gz IDAWJMWOWGLWCI-PVAVHDDUSA-N 1 2 328.387 1.685 20 30 EDEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060816014 703503339 /nfs/dbraw/zinc/50/33/39/703503339.db2.gz UHFPFYKFCSSSGR-IHRRRGAJSA-N 1 2 331.420 1.293 20 30 EDEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060816014 703503341 /nfs/dbraw/zinc/50/33/41/703503341.db2.gz UHFPFYKFCSSSGR-IHRRRGAJSA-N 1 2 331.420 1.293 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C(C)(C)C1 ZINC000995567040 704006654 /nfs/dbraw/zinc/00/66/54/704006654.db2.gz VPAYVJHJZHMPKY-WCQYABFASA-N 1 2 331.420 1.508 20 30 EDEDLO Cc1noc(C[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)n1 ZINC000995643419 704668733 /nfs/dbraw/zinc/66/87/33/704668733.db2.gz CDEPIDSBMQVXRJ-ZDUSSCGKSA-N 1 2 328.376 1.218 20 30 EDEDLO CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCCN(CC#N)CC1 ZINC000998053357 705257057 /nfs/dbraw/zinc/25/70/57/705257057.db2.gz RYIFCZSELMHGDM-CVEARBPZSA-N 1 2 329.448 1.672 20 30 EDEDLO N#CCN[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000998273781 705654254 /nfs/dbraw/zinc/65/42/54/705654254.db2.gz CSMIMQCZRPDQKM-NWDGAFQWSA-N 1 2 329.326 1.166 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C(N)=O)[nH]2)c1 ZINC001032632197 705777914 /nfs/dbraw/zinc/77/79/14/705777914.db2.gz PDXCSTCZMXZJBJ-GJZGRUSLSA-N 1 2 349.394 1.084 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C(N)=O)[nH]2)c1 ZINC001032632197 705777917 /nfs/dbraw/zinc/77/79/17/705777917.db2.gz PDXCSTCZMXZJBJ-GJZGRUSLSA-N 1 2 349.394 1.084 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)[nH]1 ZINC000998961386 706381060 /nfs/dbraw/zinc/38/10/60/706381060.db2.gz MNHUDUDQNMUSJI-CYBMUJFWSA-N 1 2 340.387 1.541 20 30 EDEDLO COCc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999127908 706529660 /nfs/dbraw/zinc/52/96/60/706529660.db2.gz KPGKQSZSZDHZKX-GXTWGEPZSA-N 1 2 332.404 1.271 20 30 EDEDLO C=C1CCC(C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC000999354436 706843575 /nfs/dbraw/zinc/84/35/75/706843575.db2.gz IXHFGRASTXUTQO-OAHLLOKOSA-N 1 2 342.443 1.903 20 30 EDEDLO C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001061631303 707416767 /nfs/dbraw/zinc/41/67/67/707416767.db2.gz RYIDERCZNGSCTC-ZBFHGGJFSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001061631303 707416770 /nfs/dbraw/zinc/41/67/70/707416770.db2.gz RYIDERCZNGSCTC-ZBFHGGJFSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCCN2CCCC)C1 ZINC001033297750 707434212 /nfs/dbraw/zinc/43/42/12/707434212.db2.gz SXKPUKOFLLQORK-CVEARBPZSA-N 1 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C=CC(C)(C)C(=O)N1CC[C@H](CNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001060957173 708049205 /nfs/dbraw/zinc/04/92/05/708049205.db2.gz ILUSTVZNMFYTKL-CQSZACIVSA-N 1 2 343.475 1.937 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC001060957179 708049232 /nfs/dbraw/zinc/04/92/32/708049232.db2.gz IPDVMTCOLMXMTD-ZDUSSCGKSA-N 1 2 332.452 1.719 20 30 EDEDLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033519033 708115108 /nfs/dbraw/zinc/11/51/08/708115108.db2.gz RIKOSRWALILQQF-CYBMUJFWSA-N 1 2 328.351 1.162 20 30 EDEDLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033519033 708115109 /nfs/dbraw/zinc/11/51/09/708115109.db2.gz RIKOSRWALILQQF-CYBMUJFWSA-N 1 2 328.351 1.162 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001033563604 708239283 /nfs/dbraw/zinc/23/92/83/708239283.db2.gz YFHAMMUWAHJXOF-HOCLYGCPSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001033563604 708239287 /nfs/dbraw/zinc/23/92/87/708239287.db2.gz YFHAMMUWAHJXOF-HOCLYGCPSA-N 1 2 327.856 1.530 20 30 EDEDLO N#Cc1cnccc1NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001061022299 708253730 /nfs/dbraw/zinc/25/37/30/708253730.db2.gz WLTPNWZWIWQURW-BPLDGKMQSA-N 1 2 336.399 1.162 20 30 EDEDLO N#Cc1cnccc1NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001061022299 708253735 /nfs/dbraw/zinc/25/37/35/708253735.db2.gz WLTPNWZWIWQURW-BPLDGKMQSA-N 1 2 336.399 1.162 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001033638995 708401346 /nfs/dbraw/zinc/40/13/46/708401346.db2.gz YGYIECXVWMYAEG-OAHLLOKOSA-N 1 2 346.822 1.561 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001033638995 708401348 /nfs/dbraw/zinc/40/13/48/708401348.db2.gz YGYIECXVWMYAEG-OAHLLOKOSA-N 1 2 346.822 1.561 20 30 EDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001061042915 708513553 /nfs/dbraw/zinc/51/35/53/708513553.db2.gz HCEHXBTZSBEWPQ-JKSUJKDBSA-N 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ZINC001033954155 709135313 /nfs/dbraw/zinc/13/53/13/709135313.db2.gz KZXLTKCBDNIPSI-BBWFWOEESA-N 1 2 346.475 1.917 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cc(C)ncn2)CC1 ZINC001002619851 709178255 /nfs/dbraw/zinc/17/82/55/709178255.db2.gz JGNUSUBDJSKMMI-UHFFFAOYSA-N 1 2 339.237 1.888 20 30 EDEDLO C=CCn1cc(C(=O)N(CC)[C@H]2CC[N@H+](Cc3ccns3)C2)nn1 ZINC001033979755 709187356 /nfs/dbraw/zinc/18/73/56/709187356.db2.gz MPGBHEQPUIHRDM-ZDUSSCGKSA-N 1 2 346.460 1.657 20 30 EDEDLO C=CCn1cc(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccns3)C2)nn1 ZINC001033979755 709187358 /nfs/dbraw/zinc/18/73/58/709187358.db2.gz MPGBHEQPUIHRDM-ZDUSSCGKSA-N 1 2 346.460 1.657 20 30 EDEDLO CCn1c(C)nnc1C[NH+]1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001002624727 709198288 /nfs/dbraw/zinc/19/82/88/709198288.db2.gz COVJVRXOFCXVEA-UHFFFAOYSA-N 1 2 341.419 1.201 20 30 EDEDLO CCN(C(=O)c1cnon1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033995796 709207253 /nfs/dbraw/zinc/20/72/53/709207253.db2.gz JZKPRFJPOSCYRD-CQSZACIVSA-N 1 2 343.362 1.817 20 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/nfs/dbraw/zinc/56/23/20/709562320.db2.gz BEWNTJCQHXTGDS-OAGGEKHMSA-N 1 2 348.447 1.830 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001034256853 709641097 /nfs/dbraw/zinc/64/10/97/709641097.db2.gz CTIHSKUSJGXSRK-CYBMUJFWSA-N 1 2 348.838 1.770 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)C1 ZINC001034256853 709641102 /nfs/dbraw/zinc/64/11/02/709641102.db2.gz CTIHSKUSJGXSRK-CYBMUJFWSA-N 1 2 348.838 1.770 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001034339129 709800720 /nfs/dbraw/zinc/80/07/20/709800720.db2.gz CZPPFQQOJSMMNY-CYBMUJFWSA-N 1 2 334.811 1.461 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001034339129 709800726 /nfs/dbraw/zinc/80/07/26/709800726.db2.gz CZPPFQQOJSMMNY-CYBMUJFWSA-N 1 2 334.811 1.461 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001003030446 709837917 /nfs/dbraw/zinc/83/79/17/709837917.db2.gz RBHATXAZRDJDJH-UHFFFAOYSA-N 1 2 327.432 1.802 20 30 EDEDLO N#CCc1cccc(NC(=O)c2cccn2CC[NH+]2CCOCC2)n1 ZINC000922157957 709979811 /nfs/dbraw/zinc/97/98/11/709979811.db2.gz XUYVTJKEAVCYHC-UHFFFAOYSA-N 1 2 339.399 1.534 20 30 EDEDLO CN(c1ncc(C#N)cc1F)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001061270831 710379879 /nfs/dbraw/zinc/37/98/79/710379879.db2.gz ASWBYZRKFAAARG-AWEZNQCLSA-N 1 2 342.378 1.485 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922323674 711001315 /nfs/dbraw/zinc/00/13/15/711001315.db2.gz FVBMMOOHUNKOCZ-JYJNAYRXSA-N 1 2 325.453 1.378 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001032973525 711072722 /nfs/dbraw/zinc/07/27/22/711072722.db2.gz AXGUAKQSMWEAJW-LLVKDONJSA-N 1 2 340.221 1.842 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(=O)[nH]2)C1 ZINC001032973525 711072725 /nfs/dbraw/zinc/07/27/25/711072725.db2.gz AXGUAKQSMWEAJW-LLVKDONJSA-N 1 2 340.221 1.842 20 30 EDEDLO CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)o1 ZINC001034912135 711340721 /nfs/dbraw/zinc/34/07/21/711340721.db2.gz SKNJVCRKQFZVEN-CQSZACIVSA-N 1 2 342.403 1.787 20 30 EDEDLO COc1nscc1C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001033024368 711397210 /nfs/dbraw/zinc/39/72/10/711397210.db2.gz WTFAQUPKASZRIU-AWEZNQCLSA-N 1 2 345.428 1.698 20 30 EDEDLO COc1nscc1C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001033024368 711397214 /nfs/dbraw/zinc/39/72/14/711397214.db2.gz WTFAQUPKASZRIU-AWEZNQCLSA-N 1 2 345.428 1.698 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2CNC(=O)c2cccc3[nH+]ccn32)nc1 ZINC001061413995 711603220 /nfs/dbraw/zinc/60/32/20/711603220.db2.gz RQDLKCPODQNATH-OAHLLOKOSA-N 1 2 346.394 2.000 20 30 EDEDLO CC(C)N1C(=O)CC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004519294 711933498 /nfs/dbraw/zinc/93/34/98/711933498.db2.gz BVORFPOMQIUKER-IRXDYDNUSA-N 1 2 346.475 1.612 20 30 EDEDLO CC(C)N1C(=O)CC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004519294 711933501 /nfs/dbraw/zinc/93/35/01/711933501.db2.gz BVORFPOMQIUKER-IRXDYDNUSA-N 1 2 346.475 1.612 20 30 EDEDLO CCCN1C[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CC1=O ZINC001004581465 712014086 /nfs/dbraw/zinc/01/40/86/712014086.db2.gz TVODKTJAYQZHPG-IAGOWNOFSA-N 1 2 346.475 1.471 20 30 EDEDLO CCCN1C[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CC1=O ZINC001004581465 712014087 /nfs/dbraw/zinc/01/40/87/712014087.db2.gz TVODKTJAYQZHPG-IAGOWNOFSA-N 1 2 346.475 1.471 20 30 EDEDLO C[C@@H](Cc1cnn(C)c1)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004591093 712027884 /nfs/dbraw/zinc/02/78/84/712027884.db2.gz JEEPFPRXFCVYGM-YJBOKZPZSA-N 1 2 343.475 1.825 20 30 EDEDLO C[C@@H](Cc1cnn(C)c1)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004591093 712027885 /nfs/dbraw/zinc/02/78/85/712027885.db2.gz JEEPFPRXFCVYGM-YJBOKZPZSA-N 1 2 343.475 1.825 20 30 EDEDLO Cc1cc(NC(=O)C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)no1 ZINC001004626749 712084619 /nfs/dbraw/zinc/08/46/19/712084619.db2.gz ZEMJBOSZIFPOQZ-AWEZNQCLSA-N 1 2 345.403 1.148 20 30 EDEDLO Cc1cc(NC(=O)C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)no1 ZINC001004626749 712084620 /nfs/dbraw/zinc/08/46/20/712084620.db2.gz ZEMJBOSZIFPOQZ-AWEZNQCLSA-N 1 2 345.403 1.148 20 30 EDEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2 ZINC000054391423 214235928 /nfs/dbraw/zinc/23/59/28/214235928.db2.gz COQCBVABRKOJDF-CYBMUJFWSA-N 1 2 328.416 1.764 20 30 EDEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2 ZINC000054391423 214235931 /nfs/dbraw/zinc/23/59/31/214235931.db2.gz COQCBVABRKOJDF-CYBMUJFWSA-N 1 2 328.416 1.764 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CC(=O)N(C)C1)CC2 ZINC000330315797 539549252 /nfs/dbraw/zinc/54/92/52/539549252.db2.gz PSRZIOAKQXWFOP-CQSZACIVSA-N 1 2 347.415 1.249 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CC(=O)N(C)C1)CC2 ZINC000330315797 539549256 /nfs/dbraw/zinc/54/92/56/539549256.db2.gz PSRZIOAKQXWFOP-CQSZACIVSA-N 1 2 347.415 1.249 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2ccccc2C#N)CC1 ZINC000102402424 219200567 /nfs/dbraw/zinc/20/05/67/219200567.db2.gz QAHVPGAVYZELIN-UHFFFAOYSA-N 1 2 343.427 1.792 20 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/nfs/dbraw/zinc/08/46/13/237084613.db2.gz OUJKOLGNVPDCFR-MRXNPFEDSA-N 1 2 343.431 1.896 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000227019354 139022240 /nfs/dbraw/zinc/02/22/40/139022240.db2.gz FTZSTBIHRMLJBY-UHFFFAOYSA-N 1 2 325.459 1.194 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000266007282 248023627 /nfs/dbraw/zinc/02/36/27/248023627.db2.gz QRHRCIHRIWCWKR-GJZGRUSLSA-N 1 2 345.447 1.161 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000266007282 248023630 /nfs/dbraw/zinc/02/36/30/248023630.db2.gz QRHRCIHRIWCWKR-GJZGRUSLSA-N 1 2 345.447 1.161 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000264989110 249341324 /nfs/dbraw/zinc/34/13/24/249341324.db2.gz JPUJLMJNHIEUNJ-UHFFFAOYSA-N 1 2 333.457 1.262 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000264989110 249341327 /nfs/dbraw/zinc/34/13/27/249341327.db2.gz JPUJLMJNHIEUNJ-UHFFFAOYSA-N 1 2 333.457 1.262 20 30 EDEDLO CN(C)c1[nH+]cccc1NC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000266853359 249348996 /nfs/dbraw/zinc/34/89/96/249348996.db2.gz QARSNIXBZIORFL-PEZBUJJGSA-N 1 2 329.360 1.003 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@@H+](CCO)CCCO)c2ccccc21 ZINC000266951353 249351984 /nfs/dbraw/zinc/35/19/84/249351984.db2.gz UGMVTFCNQSGQDS-UHFFFAOYSA-N 1 2 329.400 1.414 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@H+](CCO)CCCO)c2ccccc21 ZINC000266951353 249351987 /nfs/dbraw/zinc/35/19/87/249351987.db2.gz UGMVTFCNQSGQDS-UHFFFAOYSA-N 1 2 329.400 1.414 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000285938957 249642089 /nfs/dbraw/zinc/64/20/89/249642089.db2.gz URHNMYJNMPREGC-RDJZCZTQSA-N 1 2 343.427 1.453 20 30 EDEDLO Cc1nc(N2CCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)cc[nH+]1 ZINC000298221593 249784772 /nfs/dbraw/zinc/78/47/72/249784772.db2.gz VUGXBYQPOVCFJJ-GJZGRUSLSA-N 1 2 328.420 1.699 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000341867305 250002714 /nfs/dbraw/zinc/00/27/14/250002714.db2.gz JYVCUBZAZIAHHW-HOCLYGCPSA-N 1 2 348.447 1.291 20 30 EDEDLO COCC1(C#N)CC[NH+]([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000341969930 250004436 /nfs/dbraw/zinc/00/44/36/250004436.db2.gz COELYEXCCPEGTJ-LBPRGKRZSA-N 1 2 333.354 1.792 20 30 EDEDLO C=CCNC(=O)CNc1cc(Nc2ccc(OC)cc2OC)nc[nH+]1 ZINC000346256008 250041730 /nfs/dbraw/zinc/04/17/30/250041730.db2.gz DOEFIKMYLMUTAL-UHFFFAOYSA-N 1 2 343.387 1.952 20 30 EDEDLO COCCN1C(=O)N[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000345606706 250032595 /nfs/dbraw/zinc/03/25/95/250032595.db2.gz RMWMUTQUTHINNQ-SJORKVTESA-N 1 2 347.846 1.806 20 30 EDEDLO COCCN1C(=O)N[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000345606706 250032597 /nfs/dbraw/zinc/03/25/97/250032597.db2.gz RMWMUTQUTHINNQ-SJORKVTESA-N 1 2 347.846 1.806 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C#N)CCCCC1 ZINC000352169457 250074867 /nfs/dbraw/zinc/07/48/67/250074867.db2.gz XMPFTSPJOVQVRM-HNNXBMFYSA-N 1 2 345.447 1.826 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C#N)CCCCC1 ZINC000352169457 250074870 /nfs/dbraw/zinc/07/48/70/250074870.db2.gz XMPFTSPJOVQVRM-HNNXBMFYSA-N 1 2 345.447 1.826 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000352250035 250077385 /nfs/dbraw/zinc/07/73/85/250077385.db2.gz MZDGBEGJKTYIAB-GJZGRUSLSA-N 1 2 325.453 1.027 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000352301785 250079619 /nfs/dbraw/zinc/07/96/19/250079619.db2.gz HUYOBJLLKZNMPI-WCQYABFASA-N 1 2 325.438 1.187 20 30 EDEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@@H](Cn3cncn3)C2)c1 ZINC000353642281 250081991 /nfs/dbraw/zinc/08/19/91/250081991.db2.gz HQUXKHBFXKPGSA-GOSISDBHSA-N 1 2 341.415 1.862 20 30 EDEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@@H](Cn3cncn3)C2)c1 ZINC000353642281 250081995 /nfs/dbraw/zinc/08/19/95/250081995.db2.gz HQUXKHBFXKPGSA-GOSISDBHSA-N 1 2 341.415 1.862 20 30 EDEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000358496862 250136850 /nfs/dbraw/zinc/13/68/50/250136850.db2.gz KCGHIVRDOHQJHE-UHFFFAOYSA-N 1 2 339.417 1.867 20 30 EDEDLO C=CCC[C@@H](O)CN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000370495224 250207576 /nfs/dbraw/zinc/20/75/76/250207576.db2.gz SLKOQWMEOYFMOR-PBHICJAKSA-N 1 2 328.416 1.443 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000373438602 250238685 /nfs/dbraw/zinc/23/86/85/250238685.db2.gz FXZIACYPFKSAIW-DLBZAZTESA-N 1 2 333.395 1.990 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000417760240 251259118 /nfs/dbraw/zinc/25/91/18/251259118.db2.gz JBSVTFWHVSRDNN-ZDUSSCGKSA-N 1 2 338.358 1.481 20 30 EDEDLO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000263706792 139354295 /nfs/dbraw/zinc/35/42/95/139354295.db2.gz OWWQJNFFZHYROV-INIZCTEOSA-N 1 2 328.416 1.877 20 30 EDEDLO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000263706792 139354296 /nfs/dbraw/zinc/35/42/96/139354296.db2.gz OWWQJNFFZHYROV-INIZCTEOSA-N 1 2 328.416 1.877 20 30 EDEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3cnc(C)c(C#N)c3)cn2c1 ZINC000489109638 255064873 /nfs/dbraw/zinc/06/48/73/255064873.db2.gz LAILYEGUWBQHIY-UHFFFAOYSA-N 1 2 341.396 1.696 20 30 EDEDLO COCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCOC1 ZINC000490099365 255078976 /nfs/dbraw/zinc/07/89/76/255078976.db2.gz UYPHKSGIMZXDLK-CQSZACIVSA-N 1 2 337.807 1.887 20 30 EDEDLO COCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCOC1 ZINC000490099365 255078977 /nfs/dbraw/zinc/07/89/77/255078977.db2.gz UYPHKSGIMZXDLK-CQSZACIVSA-N 1 2 337.807 1.887 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000491066433 255117574 /nfs/dbraw/zinc/11/75/74/255117574.db2.gz CGKCADOITPYDJB-AWEZNQCLSA-N 1 2 338.415 1.185 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000491068331 255117823 /nfs/dbraw/zinc/11/78/23/255117823.db2.gz OBPUWWKNJDFRDJ-LBPRGKRZSA-N 1 2 349.381 1.753 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)Cc1ccccc1 ZINC000491817979 255149521 /nfs/dbraw/zinc/14/95/21/255149521.db2.gz WOSSBGSDNUWCKR-UHFFFAOYSA-N 1 2 349.438 1.261 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)Cc1ccccc1 ZINC000491817979 255149522 /nfs/dbraw/zinc/14/95/22/255149522.db2.gz WOSSBGSDNUWCKR-UHFFFAOYSA-N 1 2 349.438 1.261 20 30 EDEDLO COc1cc(/C=C\C(=O)N2CC(n3cc[nH+]c3)C2)ccc1OCC#N ZINC000491838530 255151496 /nfs/dbraw/zinc/15/14/96/255151496.db2.gz NGVHIGMLTFLJMQ-HYXAFXHYSA-N 1 2 338.367 1.891 20 30 EDEDLO Cc1c(/C=C\C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1C ZINC000492247806 255165069 /nfs/dbraw/zinc/16/50/69/255165069.db2.gz JPQLEYIEBGSCON-FPLPWBNLSA-N 1 2 349.438 1.958 20 30 EDEDLO C#C[C@@H](CC)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000491626004 255133350 /nfs/dbraw/zinc/13/33/50/255133350.db2.gz ICELOUFCTGZIIN-HOCLYGCPSA-N 1 2 343.427 1.546 20 30 EDEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000117077187 221031308 /nfs/dbraw/zinc/03/13/08/221031308.db2.gz GUCGVQXHFKGXGN-HNNXBMFYSA-N 1 2 344.459 1.453 20 30 EDEDLO COc1ccc(C[NH+]2CCN(c3cnc(C#N)cn3)CC2)cc1F ZINC000133004044 533562405 /nfs/dbraw/zinc/56/24/05/533562405.db2.gz IBLNMFBAVNMMIB-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO COCCO[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000331558134 141047957 /nfs/dbraw/zinc/04/79/57/141047957.db2.gz JZQLGZWVSCWMMU-HUUCEWRRSA-N 1 2 349.456 1.852 20 30 EDEDLO COCCO[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000331558134 141047958 /nfs/dbraw/zinc/04/79/58/141047958.db2.gz JZQLGZWVSCWMMU-HUUCEWRRSA-N 1 2 349.456 1.852 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)C1=O ZINC000333330414 141300543 /nfs/dbraw/zinc/30/05/43/141300543.db2.gz RDLFTSIPMXXCGJ-OLZOCXBDSA-N 1 2 342.428 1.723 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](c3nnc[nH]3)C2)C1=O ZINC000333330414 141300544 /nfs/dbraw/zinc/30/05/44/141300544.db2.gz RDLFTSIPMXXCGJ-OLZOCXBDSA-N 1 2 342.428 1.723 20 30 EDEDLO C[C@@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)c1ccc(C#N)cc1 ZINC000340145861 142282081 /nfs/dbraw/zinc/28/20/81/142282081.db2.gz CJTXUGIXHNBDNG-CYBMUJFWSA-N 1 2 347.378 1.700 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](C)CCNC(=O)N(C)C)c(C#N)c1C ZINC000355066573 150100560 /nfs/dbraw/zinc/10/05/60/150100560.db2.gz KEDSIPCPCBGUBL-UHFFFAOYSA-N 1 2 337.449 1.378 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](C)CCNC(=O)N(C)C)c(C#N)c1C ZINC000355066573 150100563 /nfs/dbraw/zinc/10/05/63/150100563.db2.gz KEDSIPCPCBGUBL-UHFFFAOYSA-N 1 2 337.449 1.378 20 30 EDEDLO CCOCCCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355111758 150122066 /nfs/dbraw/zinc/12/20/66/150122066.db2.gz XTRFCPRJPCYMKR-HNNXBMFYSA-N 1 2 345.447 1.007 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000357393964 151017021 /nfs/dbraw/zinc/01/70/21/151017021.db2.gz UMDBVOVWROHWGS-UHFFFAOYSA-N 1 2 340.368 1.394 20 30 EDEDLO COc1cc(CNC(=O)N(C)CCCn2cc[nH+]c2)ccc1C#N ZINC000358251427 151317945 /nfs/dbraw/zinc/31/79/45/151317945.db2.gz BPFLEAUJSCNVSD-UHFFFAOYSA-N 1 2 327.388 1.995 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(C#N)c1C ZINC000361437841 152395866 /nfs/dbraw/zinc/39/58/66/152395866.db2.gz QLUNWLPXFPNSPK-OAHLLOKOSA-N 1 2 347.415 1.977 20 30 EDEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000285594098 286337555 /nfs/dbraw/zinc/33/75/55/286337555.db2.gz UCQYKNSATHNKBW-AUCUTYNJSA-N 1 2 340.445 1.928 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000367388457 154099281 /nfs/dbraw/zinc/09/92/81/154099281.db2.gz PLZZSFSBEIXQDE-LBPRGKRZSA-N 1 2 337.383 1.037 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000367388457 154099284 /nfs/dbraw/zinc/09/92/84/154099284.db2.gz PLZZSFSBEIXQDE-LBPRGKRZSA-N 1 2 337.383 1.037 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)NCc1cccc(C#N)c1)CCO2 ZINC000369393538 155012033 /nfs/dbraw/zinc/01/20/33/155012033.db2.gz XISCNVMXNBKQRB-KDOFPFPSSA-N 1 2 329.400 1.054 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)NCc1cccc(C#N)c1)CCO2 ZINC000369393538 155012036 /nfs/dbraw/zinc/01/20/36/155012036.db2.gz XISCNVMXNBKQRB-KDOFPFPSSA-N 1 2 329.400 1.054 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000352415627 162171846 /nfs/dbraw/zinc/17/18/46/162171846.db2.gz OQHOPOMFYQSFDX-HUUCEWRRSA-N 1 2 329.791 1.882 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000352415627 162171847 /nfs/dbraw/zinc/17/18/47/162171847.db2.gz OQHOPOMFYQSFDX-HUUCEWRRSA-N 1 2 329.791 1.882 20 30 EDEDLO COC(=O)[C@H](c1cccnc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942671 287326244 /nfs/dbraw/zinc/32/62/44/287326244.db2.gz JDBDVKPPFCMRTK-AWEZNQCLSA-N 1 2 328.376 1.037 20 30 EDEDLO COC(=O)[C@H](c1cccnc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942671 287326245 /nfs/dbraw/zinc/32/62/45/287326245.db2.gz JDBDVKPPFCMRTK-AWEZNQCLSA-N 1 2 328.376 1.037 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H](SCC[NH+]2CCOCC2)C1=O ZINC000159848630 225289488 /nfs/dbraw/zinc/28/94/88/225289488.db2.gz UKXFDKJDBCBDRW-ZDUSSCGKSA-N 1 2 337.470 1.790 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1C#N ZINC000124311614 287397158 /nfs/dbraw/zinc/39/71/58/287397158.db2.gz YPTMKQRQAKBGMU-UHFFFAOYSA-N 1 2 348.472 1.819 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121167248 221775383 /nfs/dbraw/zinc/77/53/83/221775383.db2.gz GPVNSXYWCHZAII-CQSZACIVSA-N 1 2 340.427 1.830 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121167248 221775386 /nfs/dbraw/zinc/77/53/86/221775386.db2.gz GPVNSXYWCHZAII-CQSZACIVSA-N 1 2 340.427 1.830 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122385136 222076367 /nfs/dbraw/zinc/07/63/67/222076367.db2.gz FRZCZRYWFWYWAT-SNVBAGLBSA-N 1 2 340.326 1.586 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122385136 222076371 /nfs/dbraw/zinc/07/63/71/222076371.db2.gz FRZCZRYWFWYWAT-SNVBAGLBSA-N 1 2 340.326 1.586 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000151123664 287592781 /nfs/dbraw/zinc/59/27/81/287592781.db2.gz QYXJEYBTMTURJK-UHFFFAOYSA-N 1 2 334.376 1.920 20 30 EDEDLO CO[C@H](C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 ZINC000425388217 269759933 /nfs/dbraw/zinc/75/99/33/269759933.db2.gz WLNBHZRBDRMGGK-MRXNPFEDSA-N 1 2 349.456 1.290 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000534430384 270016270 /nfs/dbraw/zinc/01/62/70/270016270.db2.gz OQGNJHVKHRHDHU-CQSZACIVSA-N 1 2 329.400 1.835 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000534430384 270016271 /nfs/dbraw/zinc/01/62/71/270016271.db2.gz OQGNJHVKHRHDHU-CQSZACIVSA-N 1 2 329.400 1.835 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000330594402 266156367 /nfs/dbraw/zinc/15/63/67/266156367.db2.gz WVYXCNBLNIKILI-HUUCEWRRSA-N 1 2 335.473 1.746 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000330594402 266156372 /nfs/dbraw/zinc/15/63/72/266156372.db2.gz WVYXCNBLNIKILI-HUUCEWRRSA-N 1 2 335.473 1.746 20 30 EDEDLO CCOC(=O)c1c(NC(=O)NCc2c[nH+]cn2C)c(C#N)cn1CC ZINC000421182242 267138632 /nfs/dbraw/zinc/13/86/32/267138632.db2.gz KONFBSRODNIKLO-UHFFFAOYSA-N 1 2 344.375 1.612 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451999596 267810201 /nfs/dbraw/zinc/81/02/01/267810201.db2.gz UPTHBDPKGCKFOI-CJNGLKHVSA-N 1 2 343.431 1.621 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451999596 267810204 /nfs/dbraw/zinc/81/02/04/267810204.db2.gz UPTHBDPKGCKFOI-CJNGLKHVSA-N 1 2 343.431 1.621 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CCN3CCNC3=O)CC2)c(Cl)c1 ZINC000289412626 268116467 /nfs/dbraw/zinc/11/64/67/268116467.db2.gz LZOKYLTYQILQCO-UHFFFAOYSA-N 1 2 333.823 1.359 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000440274919 269622863 /nfs/dbraw/zinc/62/28/63/269622863.db2.gz IEARJKZRCORLDR-CYBMUJFWSA-N 1 2 344.415 1.446 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000440274919 269622864 /nfs/dbraw/zinc/62/28/64/269622864.db2.gz IEARJKZRCORLDR-CYBMUJFWSA-N 1 2 344.415 1.446 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C#N)oc2C)nc[nH+]1 ZINC000280685607 273385450 /nfs/dbraw/zinc/38/54/50/273385450.db2.gz RCLJQWGYDSGROP-GFCCVEGCSA-N 1 2 340.387 1.690 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C#N)oc2C)[nH+]cn1 ZINC000280685607 273385451 /nfs/dbraw/zinc/38/54/51/273385451.db2.gz RCLJQWGYDSGROP-GFCCVEGCSA-N 1 2 340.387 1.690 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@@](O)(c3cn[nH]n3)C2)c(Br)c1 ZINC000284941742 274396052 /nfs/dbraw/zinc/39/60/52/274396052.db2.gz WNZDATUOMXLYOF-AWEZNQCLSA-N 1 2 348.204 1.532 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](O)(c3cn[nH]n3)C2)c(Br)c1 ZINC000284941742 274396055 /nfs/dbraw/zinc/39/60/55/274396055.db2.gz WNZDATUOMXLYOF-AWEZNQCLSA-N 1 2 348.204 1.532 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@@](O)(c3c[nH]nn3)C2)c(Br)c1 ZINC000284941742 274396056 /nfs/dbraw/zinc/39/60/56/274396056.db2.gz WNZDATUOMXLYOF-AWEZNQCLSA-N 1 2 348.204 1.532 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@](O)(c3c[nH]nn3)C2)c(Br)c1 ZINC000284941742 274396058 /nfs/dbraw/zinc/39/60/58/274396058.db2.gz WNZDATUOMXLYOF-AWEZNQCLSA-N 1 2 348.204 1.532 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000548480092 306129284 /nfs/dbraw/zinc/12/92/84/306129284.db2.gz IUSNMEMPKUARDO-CQSZACIVSA-N 1 2 327.432 1.523 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(C(=O)OC)oc2CC)CC1 ZINC000426357401 447422676 /nfs/dbraw/zinc/42/26/76/447422676.db2.gz QBYOOEGYPKTXBM-UHFFFAOYSA-N 1 2 349.431 1.048 20 30 EDEDLO COc1cc(C[NH+]2CCN(C(=O)[C@]3(C#N)C[C@@H]3C)CC2)cc(OC)c1 ZINC000450032100 447424218 /nfs/dbraw/zinc/42/42/18/447424218.db2.gz KKKXBIAZIWOOHL-LIRRHRJNSA-N 1 2 343.427 1.898 20 30 EDEDLO NC(=O)c1ccc(C[N@H+](CC(=O)Nc2nncs2)C2CC2)cc1 ZINC000045810761 441042058 /nfs/dbraw/zinc/04/20/58/441042058.db2.gz XEQMGRIABDNLCI-UHFFFAOYSA-N 1 2 331.401 1.890 20 30 EDEDLO NC(=O)c1ccc(C[N@@H+](CC(=O)Nc2nncs2)C2CC2)cc1 ZINC000045810761 441042065 /nfs/dbraw/zinc/04/20/65/441042065.db2.gz XEQMGRIABDNLCI-UHFFFAOYSA-N 1 2 331.401 1.890 20 30 EDEDLO COc1cccc(CN(C)C(=O)C[NH+]2CCC(C#N)CC2)c1OC ZINC000057907302 441142533 /nfs/dbraw/zinc/14/25/33/441142533.db2.gz QQNVRLUALUNDBP-UHFFFAOYSA-N 1 2 331.416 1.898 20 30 EDEDLO N#CC1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000057873084 441140089 /nfs/dbraw/zinc/14/00/89/441140089.db2.gz UAQTVJRCFCKCOQ-UHFFFAOYSA-N 1 2 342.443 1.693 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000071855687 441170444 /nfs/dbraw/zinc/17/04/44/441170444.db2.gz CRYYDXFPJBDHPH-CYBMUJFWSA-N 1 2 341.415 1.375 20 30 EDEDLO CCN(CCC#N)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000081017945 441221361 /nfs/dbraw/zinc/22/13/61/441221361.db2.gz RETJAXVHQVOSPN-UHFFFAOYSA-N 1 2 344.459 1.371 20 30 EDEDLO CN(C)C(=O)CCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000072813308 441262624 /nfs/dbraw/zinc/26/26/24/441262624.db2.gz VWGDPPZYDYTQIV-UHFFFAOYSA-N 1 2 342.443 1.461 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(NC(N)=O)CC1 ZINC000081540308 441285522 /nfs/dbraw/zinc/28/55/22/441285522.db2.gz OCIUGTRDEBQKTF-JTQLQIEISA-N 1 2 349.822 1.671 20 30 EDEDLO N#CC1(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CCC1 ZINC000450249613 447438752 /nfs/dbraw/zinc/43/87/52/447438752.db2.gz BBGJAUXHUWTGTP-UHFFFAOYSA-N 1 2 343.456 1.567 20 30 EDEDLO N#Cc1c(CN2CC[NH+](CC(=O)NC3CC3)CC2)cn2ccccc12 ZINC000073344064 441311737 /nfs/dbraw/zinc/31/17/37/441311737.db2.gz CQCSOOOTVFHXMU-UHFFFAOYSA-N 1 2 337.427 1.207 20 30 EDEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000064722431 441390000 /nfs/dbraw/zinc/39/00/00/441390000.db2.gz AVKOLLVRZIONBB-UHFFFAOYSA-N 1 2 335.411 1.710 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000083169516 441352568 /nfs/dbraw/zinc/35/25/68/441352568.db2.gz HCLFHDREYOUQIG-WBVHZDCISA-N 1 2 329.400 1.620 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000083169516 441352573 /nfs/dbraw/zinc/35/25/73/441352573.db2.gz HCLFHDREYOUQIG-WBVHZDCISA-N 1 2 329.400 1.620 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(NC(C)=O)cc2Cl)CC1 ZINC000085276026 441431764 /nfs/dbraw/zinc/43/17/64/441431764.db2.gz JLFCOTWSHZBWLL-UHFFFAOYSA-N 1 2 348.834 1.488 20 30 EDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000030278155 441488058 /nfs/dbraw/zinc/48/80/58/441488058.db2.gz JPTNEVROTZZJQA-UHFFFAOYSA-N 1 2 326.400 1.487 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000052659639 441466591 /nfs/dbraw/zinc/46/65/91/441466591.db2.gz SUTJWRVSIPTNMA-HNNXBMFYSA-N 1 2 345.443 1.266 20 30 EDEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000052659639 441466595 /nfs/dbraw/zinc/46/65/95/441466595.db2.gz SUTJWRVSIPTNMA-HNNXBMFYSA-N 1 2 345.443 1.266 20 30 EDEDLO COC(=O)CC[N@@H+]1CCN(c2snc(Cl)c2C#N)[C@@H](C)C1 ZINC000089265277 441532240 /nfs/dbraw/zinc/53/22/40/441532240.db2.gz NRMTVIQBFAEEMR-VIFPVBQESA-N 1 2 328.825 1.742 20 30 EDEDLO COC(=O)CC[N@H+]1CCN(c2snc(Cl)c2C#N)[C@@H](C)C1 ZINC000089265277 441532243 /nfs/dbraw/zinc/53/22/43/441532243.db2.gz NRMTVIQBFAEEMR-VIFPVBQESA-N 1 2 328.825 1.742 20 30 EDEDLO C=CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000066559396 441543106 /nfs/dbraw/zinc/54/31/06/441543106.db2.gz PVOMCNSZAUDMBE-ZDUSSCGKSA-N 1 2 340.401 1.649 20 30 EDEDLO C=CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000066559396 441543110 /nfs/dbraw/zinc/54/31/10/441543110.db2.gz PVOMCNSZAUDMBE-ZDUSSCGKSA-N 1 2 340.401 1.649 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000109756644 441504047 /nfs/dbraw/zinc/50/40/47/441504047.db2.gz RNPGTVOCNZILLH-JSGCOSHPSA-N 1 2 327.306 1.884 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000109756644 441504050 /nfs/dbraw/zinc/50/40/50/441504050.db2.gz RNPGTVOCNZILLH-JSGCOSHPSA-N 1 2 327.306 1.884 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000091769529 441739591 /nfs/dbraw/zinc/73/95/91/441739591.db2.gz PLLSXKMKOQWLNI-QGZVFWFLSA-N 1 2 340.468 1.840 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000091769529 441739597 /nfs/dbraw/zinc/73/95/97/441739597.db2.gz PLLSXKMKOQWLNI-QGZVFWFLSA-N 1 2 340.468 1.840 20 30 EDEDLO Cc1cccn2cc(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)[nH+]c12 ZINC000068329015 441776322 /nfs/dbraw/zinc/77/63/22/441776322.db2.gz GDCMLHHVSLSCNS-KRWDZBQOSA-N 1 2 339.443 1.878 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2cscn2)CC1 ZINC000068333800 441776578 /nfs/dbraw/zinc/77/65/78/441776578.db2.gz VHUHTMWCYLGEQE-HNNXBMFYSA-N 1 2 334.489 1.850 20 30 EDEDLO C#CC[N@H+](Cc1cccc(-n2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092193012 441776713 /nfs/dbraw/zinc/77/67/13/441776713.db2.gz ZONWGCOQZMAYHF-QGZVFWFLSA-N 1 2 329.425 1.495 20 30 EDEDLO C#CC[N@@H+](Cc1cccc(-n2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092193012 441776723 /nfs/dbraw/zinc/77/67/23/441776723.db2.gz ZONWGCOQZMAYHF-QGZVFWFLSA-N 1 2 329.425 1.495 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)s1 ZINC000121857077 441797118 /nfs/dbraw/zinc/79/71/18/441797118.db2.gz GUBVQZXSEUOMPF-UHFFFAOYSA-N 1 2 332.473 1.750 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)s1 ZINC000121857077 441797124 /nfs/dbraw/zinc/79/71/24/441797124.db2.gz GUBVQZXSEUOMPF-UHFFFAOYSA-N 1 2 332.473 1.750 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000042978828 441804208 /nfs/dbraw/zinc/80/42/08/441804208.db2.gz QXUNFNNNRFUQLR-IBGZPJMESA-N 1 2 343.427 1.870 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000042978828 441804211 /nfs/dbraw/zinc/80/42/11/441804211.db2.gz QXUNFNNNRFUQLR-IBGZPJMESA-N 1 2 343.427 1.870 20 30 EDEDLO N#CCCCCS(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000068899343 441865309 /nfs/dbraw/zinc/86/53/09/441865309.db2.gz YVMZZUXEJFDSHE-UHFFFAOYSA-N 1 2 341.502 1.932 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000124312229 441916290 /nfs/dbraw/zinc/91/62/90/441916290.db2.gz PVNSEEMEFRNROS-UHFFFAOYSA-N 1 2 341.383 1.553 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCc1ccccn1 ZINC000078678019 441962148 /nfs/dbraw/zinc/96/21/48/441962148.db2.gz XLRSSCCGCREUOX-UHFFFAOYSA-N 1 2 330.432 1.479 20 30 EDEDLO Cc1ccc(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)cc1F ZINC000078686482 441962982 /nfs/dbraw/zinc/96/29/82/441962982.db2.gz CQPYHERKGXYUFF-UHFFFAOYSA-N 1 2 348.422 1.621 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000120530392 442090653 /nfs/dbraw/zinc/09/06/53/442090653.db2.gz NPKGJRPZXPXZRC-HNNXBMFYSA-N 1 2 344.459 1.599 20 30 EDEDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000120530392 442090658 /nfs/dbraw/zinc/09/06/58/442090658.db2.gz NPKGJRPZXPXZRC-HNNXBMFYSA-N 1 2 344.459 1.599 20 30 EDEDLO C#CC[N@@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000126248014 442093036 /nfs/dbraw/zinc/09/30/36/442093036.db2.gz TUHRANRBUYKDRV-MRXNPFEDSA-N 1 2 332.425 1.449 20 30 EDEDLO C#CC[N@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000126248014 442093041 /nfs/dbraw/zinc/09/30/41/442093041.db2.gz TUHRANRBUYKDRV-MRXNPFEDSA-N 1 2 332.425 1.449 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000069875776 442065078 /nfs/dbraw/zinc/06/50/78/442065078.db2.gz OAADQHDWZWFYSQ-PBHICJAKSA-N 1 2 330.436 1.042 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000126212436 442089380 /nfs/dbraw/zinc/08/93/80/442089380.db2.gz HOCAMJDOKHPTFG-QGZVFWFLSA-N 1 2 347.503 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000126212436 442089383 /nfs/dbraw/zinc/08/93/83/442089383.db2.gz HOCAMJDOKHPTFG-QGZVFWFLSA-N 1 2 347.503 1.877 20 30 EDEDLO C#CCNC(=O)c1ccccc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000151778900 442118354 /nfs/dbraw/zinc/11/83/54/442118354.db2.gz PHMIPWBMWXHPJF-ZDUSSCGKSA-N 1 2 331.441 1.425 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1(C)C ZINC000126578234 442123697 /nfs/dbraw/zinc/12/36/97/442123697.db2.gz BVWUJFVAMPBLIH-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1(C)C ZINC000126578234 442123701 /nfs/dbraw/zinc/12/37/01/442123701.db2.gz BVWUJFVAMPBLIH-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166306116 442215820 /nfs/dbraw/zinc/21/58/20/442215820.db2.gz PIASANSRABPHFT-MRXNPFEDSA-N 1 2 329.448 1.520 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([NH2+]Cc2nnc3n2CCCC3)C1=O ZINC000176800505 442259148 /nfs/dbraw/zinc/25/91/48/442259148.db2.gz ZWXVHRUYRWNVAL-LBPRGKRZSA-N 1 2 342.428 1.443 20 30 EDEDLO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000177468642 442345177 /nfs/dbraw/zinc/34/51/77/442345177.db2.gz KQYFUWUSMHWAHT-PIGZYNQJSA-N 1 2 333.388 1.980 20 30 EDEDLO COC(=O)[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000177468642 442345180 /nfs/dbraw/zinc/34/51/80/442345180.db2.gz KQYFUWUSMHWAHT-PIGZYNQJSA-N 1 2 333.388 1.980 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134358484 442473810 /nfs/dbraw/zinc/47/38/10/442473810.db2.gz AVFMFFOHCQDROY-HNNXBMFYSA-N 1 2 337.445 1.469 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134358484 442473814 /nfs/dbraw/zinc/47/38/14/442473814.db2.gz AVFMFFOHCQDROY-HNNXBMFYSA-N 1 2 337.445 1.469 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CC#Cc2ccccc2)C1 ZINC000191982946 442554234 /nfs/dbraw/zinc/55/42/34/442554234.db2.gz MLJAKENDFDNHCS-SFHVURJKSA-N 1 2 342.439 1.772 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CC#Cc2ccccc2)C1 ZINC000191982946 442554235 /nfs/dbraw/zinc/55/42/35/442554235.db2.gz MLJAKENDFDNHCS-SFHVURJKSA-N 1 2 342.439 1.772 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)nc1 ZINC000179988645 442525854 /nfs/dbraw/zinc/52/58/54/442525854.db2.gz XSCXUNVZQCATCA-UHFFFAOYSA-N 1 2 327.413 1.436 20 30 EDEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(N3CCCNC3=O)CC2)c1 ZINC000135425454 442594384 /nfs/dbraw/zinc/59/43/84/442594384.db2.gz DVWFOQHRSLYKNG-UHFFFAOYSA-N 1 2 341.415 1.376 20 30 EDEDLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccccc1C#N ZINC000180600762 442632199 /nfs/dbraw/zinc/63/21/99/442632199.db2.gz KGTIOUFWHGCJLK-MRXNPFEDSA-N 1 2 330.432 1.540 20 30 EDEDLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ccccc1C#N ZINC000180600762 442632201 /nfs/dbraw/zinc/63/22/01/442632201.db2.gz KGTIOUFWHGCJLK-MRXNPFEDSA-N 1 2 330.432 1.540 20 30 EDEDLO C=C(C)CN(C)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000181000697 442673737 /nfs/dbraw/zinc/67/37/37/442673737.db2.gz VIGKPUGXPJQWBF-UHFFFAOYSA-N 1 2 345.447 1.501 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265671497 442873437 /nfs/dbraw/zinc/87/34/37/442873437.db2.gz XNNDLFVDSDHUOK-DZGCQCFKSA-N 1 2 335.473 1.814 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265671497 442873443 /nfs/dbraw/zinc/87/34/43/442873443.db2.gz XNNDLFVDSDHUOK-DZGCQCFKSA-N 1 2 335.473 1.814 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000183293294 442919034 /nfs/dbraw/zinc/91/90/34/442919034.db2.gz DBQJYZVNBKPDON-UHFFFAOYSA-N 1 2 349.394 1.054 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(CCOC)CC1 ZINC000194620170 442925753 /nfs/dbraw/zinc/92/57/53/442925753.db2.gz BBESBSXBVYKLFL-GOSISDBHSA-N 1 2 334.460 1.419 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)CC#N)c(OC)c1 ZINC000268347101 442956613 /nfs/dbraw/zinc/95/66/13/442956613.db2.gz CCQFBWSUHVNLPN-JSGCOSHPSA-N 1 2 336.388 1.455 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)CC#N)c(OC)c1 ZINC000268347101 442956619 /nfs/dbraw/zinc/95/66/19/442956619.db2.gz CCQFBWSUHVNLPN-JSGCOSHPSA-N 1 2 336.388 1.455 20 30 EDEDLO COCCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000249420027 442973733 /nfs/dbraw/zinc/97/37/33/442973733.db2.gz WYGIBSDJMKSMJM-TZMCWYRMSA-N 1 2 335.404 1.832 20 30 EDEDLO COCCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000249420027 442973737 /nfs/dbraw/zinc/97/37/37/442973737.db2.gz WYGIBSDJMKSMJM-TZMCWYRMSA-N 1 2 335.404 1.832 20 30 EDEDLO CCC[C@@H]1C[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CCO1 ZINC000183973859 442979744 /nfs/dbraw/zinc/97/97/44/442979744.db2.gz KROFFNKGBDFBAN-IAGOWNOFSA-N 1 2 337.464 1.656 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000265971560 442989428 /nfs/dbraw/zinc/98/94/28/442989428.db2.gz KXSVVTWYIHRWGS-GFCCVEGCSA-N 1 2 336.457 1.995 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000265971560 442989431 /nfs/dbraw/zinc/98/94/31/442989431.db2.gz KXSVVTWYIHRWGS-GFCCVEGCSA-N 1 2 336.457 1.995 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\c1ccnc(Cl)c1 ZINC000255304573 443093667 /nfs/dbraw/zinc/09/36/67/443093667.db2.gz OHBZICVPOWXNLU-IHWYPQMZSA-N 1 2 348.834 1.823 20 30 EDEDLO CCN1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1=O ZINC000190216497 443072636 /nfs/dbraw/zinc/07/26/36/443072636.db2.gz YXDQXZKCYSGKPH-MRXNPFEDSA-N 1 2 342.443 1.876 20 30 EDEDLO CCN1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1=O ZINC000190216497 443072638 /nfs/dbraw/zinc/07/26/38/443072638.db2.gz YXDQXZKCYSGKPH-MRXNPFEDSA-N 1 2 342.443 1.876 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000266368669 443108267 /nfs/dbraw/zinc/10/82/67/443108267.db2.gz RAXIOHNHMYJTLV-WBVHZDCISA-N 1 2 343.427 1.649 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000185273848 443174088 /nfs/dbraw/zinc/17/40/88/443174088.db2.gz GPCJVEYLNMNNML-CABCVRRESA-N 1 2 332.379 1.885 20 30 EDEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCC(=O)NC3CC3)c2)n1 ZINC000263659797 443235458 /nfs/dbraw/zinc/23/54/58/443235458.db2.gz DFSQAPAGXIDZBM-UHFFFAOYSA-N 1 2 341.415 1.464 20 30 EDEDLO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cn(-c2ccccc2)nn1 ZINC000185467964 443204357 /nfs/dbraw/zinc/20/43/57/443204357.db2.gz SMJWCTDHQJPUFN-SCLBCKFNSA-N 1 2 338.415 1.726 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185489547 443207750 /nfs/dbraw/zinc/20/77/50/443207750.db2.gz KLZCOHBPHIWRPY-AWEZNQCLSA-N 1 2 326.404 1.680 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)CC1 ZINC000278524321 443353173 /nfs/dbraw/zinc/35/31/73/443353173.db2.gz DBEJMESMYZZEKS-IRXDYDNUSA-N 1 2 344.463 1.239 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)CC1 ZINC000278524321 443353176 /nfs/dbraw/zinc/35/31/76/443353176.db2.gz DBEJMESMYZZEKS-IRXDYDNUSA-N 1 2 344.463 1.239 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000267345118 443425905 /nfs/dbraw/zinc/42/59/05/443425905.db2.gz FFAZTFKOXUADPL-UHFFFAOYSA-N 1 2 345.410 1.856 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000264827855 443443488 /nfs/dbraw/zinc/44/34/88/443443488.db2.gz ZLEQOULCZQBWSU-WMZOPIPTSA-N 1 2 344.459 1.731 20 30 EDEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000278759584 443428463 /nfs/dbraw/zinc/42/84/63/443428463.db2.gz XTVYYEMYPJRWIQ-ZFWWWQNUSA-N 1 2 337.420 1.824 20 30 EDEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000271376764 443501878 /nfs/dbraw/zinc/50/18/78/443501878.db2.gz SKVVUEHXQIRTGK-IBGZPJMESA-N 1 2 341.411 1.640 20 30 EDEDLO COC(=O)c1ccc2c(c1)C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC2 ZINC000271376764 443501881 /nfs/dbraw/zinc/50/18/81/443501881.db2.gz SKVVUEHXQIRTGK-IBGZPJMESA-N 1 2 341.411 1.640 20 30 EDEDLO C#CC[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CC1 ZINC000274017254 443591379 /nfs/dbraw/zinc/59/13/79/443591379.db2.gz BPXDVGDRWGLSRZ-UHFFFAOYSA-N 1 2 331.441 1.762 20 30 EDEDLO C#CC[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1CC1 ZINC000274017254 443591383 /nfs/dbraw/zinc/59/13/83/443591383.db2.gz BPXDVGDRWGLSRZ-UHFFFAOYSA-N 1 2 331.441 1.762 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000279445427 443586026 /nfs/dbraw/zinc/58/60/26/443586026.db2.gz KENVKQROMPYHDL-UHFFFAOYSA-N 1 2 347.463 1.159 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)NCC[N@H+]2CCOC(C)(C)C2)n1 ZINC000279445427 443586033 /nfs/dbraw/zinc/58/60/33/443586033.db2.gz KENVKQROMPYHDL-UHFFFAOYSA-N 1 2 347.463 1.159 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000279851835 443632903 /nfs/dbraw/zinc/63/29/03/443632903.db2.gz SBHUIYWYPKLOJO-GLJUWKHASA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000279851835 443632907 /nfs/dbraw/zinc/63/29/07/443632907.db2.gz SBHUIYWYPKLOJO-GLJUWKHASA-N 1 2 329.400 1.765 20 30 EDEDLO COCCOCCOCC[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000276304046 443685251 /nfs/dbraw/zinc/68/52/51/443685251.db2.gz WGBKOTZTXFGKJJ-UHFFFAOYSA-N 1 2 341.433 1.170 20 30 EDEDLO COCCOCCOCC[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000276304046 443685255 /nfs/dbraw/zinc/68/52/55/443685255.db2.gz WGBKOTZTXFGKJJ-UHFFFAOYSA-N 1 2 341.433 1.170 20 30 EDEDLO CC#CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000286248763 443676376 /nfs/dbraw/zinc/67/63/76/443676376.db2.gz NBLPXHAHOGXMSI-ZDUSSCGKSA-N 1 2 332.404 1.564 20 30 EDEDLO C=CCOc1ccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000286726404 443722735 /nfs/dbraw/zinc/72/27/35/443722735.db2.gz CSCGYZDFXKHHMS-QZTJIDSGSA-N 1 2 345.443 1.866 20 30 EDEDLO C=CCOc1ccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000286726404 443722742 /nfs/dbraw/zinc/72/27/42/443722742.db2.gz CSCGYZDFXKHHMS-QZTJIDSGSA-N 1 2 345.443 1.866 20 30 EDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2cncc3ncnn32)CC1 ZINC000276502335 443725955 /nfs/dbraw/zinc/72/59/55/443725955.db2.gz PMJKIMGFTPVEGO-UHFFFAOYSA-N 1 2 349.398 1.327 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284780010 443788467 /nfs/dbraw/zinc/78/84/67/443788467.db2.gz INWCUVPKEGJIEY-DOTOQJQBSA-N 1 2 347.390 1.775 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284780010 443788471 /nfs/dbraw/zinc/78/84/71/443788471.db2.gz INWCUVPKEGJIEY-DOTOQJQBSA-N 1 2 347.390 1.775 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000287572472 443747866 /nfs/dbraw/zinc/74/78/66/443747866.db2.gz DEVPVHAYSSIIJV-CHWSQXEVSA-N 1 2 336.440 1.489 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000287572472 443747872 /nfs/dbraw/zinc/74/78/72/443747872.db2.gz DEVPVHAYSSIIJV-CHWSQXEVSA-N 1 2 336.440 1.489 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000287572472 443747877 /nfs/dbraw/zinc/74/78/77/443747877.db2.gz DEVPVHAYSSIIJV-CHWSQXEVSA-N 1 2 336.440 1.489 20 30 EDEDLO N#Cc1cc(N2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)ccn1 ZINC000287613831 443749504 /nfs/dbraw/zinc/74/95/04/443749504.db2.gz YXMZIIUQWATNGZ-IBGZPJMESA-N 1 2 347.422 1.881 20 30 EDEDLO C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000287864938 443758440 /nfs/dbraw/zinc/75/84/40/443758440.db2.gz WVWNNYRTZUBECK-KRWDZBQOSA-N 1 2 328.460 1.467 20 30 EDEDLO Cc1nsc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c1C#N ZINC000291446277 443759057 /nfs/dbraw/zinc/75/90/57/443759057.db2.gz CDMUJQKDCQJKQF-UHFFFAOYSA-N 1 2 326.429 1.856 20 30 EDEDLO CCOCc1ccccc1CNC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283961162 443759555 /nfs/dbraw/zinc/75/95/55/443759555.db2.gz FZXDRBFFWPZRCM-HNNXBMFYSA-N 1 2 335.404 1.307 20 30 EDEDLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000287911373 443760648 /nfs/dbraw/zinc/76/06/48/443760648.db2.gz OKSRABQCHRDIDZ-KRWDZBQOSA-N 1 2 329.448 1.184 20 30 EDEDLO COc1ccc(CN(C(=O)CO[NH+]=C(N)[C@@H]2CCCO2)C2CC2)cc1 ZINC000284022550 443761459 /nfs/dbraw/zinc/76/14/59/443761459.db2.gz ICOAHRAWWSDCEV-INIZCTEOSA-N 1 2 347.415 1.654 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C[C@H]21 ZINC000284169898 443768700 /nfs/dbraw/zinc/76/87/00/443768700.db2.gz RMIHJRRQUHAYTJ-IAGOWNOFSA-N 1 2 325.412 1.787 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C[C@H]21 ZINC000284169898 443768706 /nfs/dbraw/zinc/76/87/06/443768706.db2.gz RMIHJRRQUHAYTJ-IAGOWNOFSA-N 1 2 325.412 1.787 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000292116417 443778144 /nfs/dbraw/zinc/77/81/44/443778144.db2.gz JQWDMWSBJINTDI-CQSZACIVSA-N 1 2 328.478 1.332 20 30 EDEDLO CCn1nc(C)c(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000292140086 443778942 /nfs/dbraw/zinc/77/89/42/443778942.db2.gz CSVYKXWTVKMCIV-UHFFFAOYSA-N 1 2 347.463 1.137 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C1=O ZINC000281197556 443845481 /nfs/dbraw/zinc/84/54/81/443845481.db2.gz CDMMMTWXYAKYED-OAHLLOKOSA-N 1 2 346.818 1.869 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C1=O ZINC000281197556 443845484 /nfs/dbraw/zinc/84/54/84/443845484.db2.gz CDMMMTWXYAKYED-OAHLLOKOSA-N 1 2 346.818 1.869 20 30 EDEDLO Cc1oc(NC(=O)CN2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C#N)c1C ZINC000284965807 443800944 /nfs/dbraw/zinc/80/09/44/443800944.db2.gz XLZNUWCGYCAYLY-LSDHHAIUSA-N 1 2 332.404 1.112 20 30 EDEDLO Cc1oc(NC(=O)CN2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c(C#N)c1C ZINC000284965807 443800949 /nfs/dbraw/zinc/80/09/49/443800949.db2.gz XLZNUWCGYCAYLY-LSDHHAIUSA-N 1 2 332.404 1.112 20 30 EDEDLO C#CCCCCC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000281346505 443885265 /nfs/dbraw/zinc/88/52/65/443885265.db2.gz XJBHOCDDJZMEDG-HOTGVXAUSA-N 1 2 334.439 1.985 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NCc2cccc(OC)c2)C1=O ZINC000281381917 443895292 /nfs/dbraw/zinc/89/52/92/443895292.db2.gz PCJVYKILFYWUKZ-YOEHRIQHSA-N 1 2 345.443 1.419 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCc2cccc(OC)c2)C1=O ZINC000281381917 443895297 /nfs/dbraw/zinc/89/52/97/443895297.db2.gz PCJVYKILFYWUKZ-YOEHRIQHSA-N 1 2 345.443 1.419 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000285129023 443866145 /nfs/dbraw/zinc/86/61/45/443866145.db2.gz QKXHFTQMSPJKKL-DLBZAZTESA-N 1 2 341.411 1.402 20 30 EDEDLO CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CCn2cc[nH+]c2)C1=O ZINC000298805730 443872994 /nfs/dbraw/zinc/87/29/94/443872994.db2.gz OBGQQMVTZXPRIE-KRWDZBQOSA-N 1 2 349.435 1.975 20 30 EDEDLO COc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(OC)c1 ZINC000298805674 443873111 /nfs/dbraw/zinc/87/31/11/443873111.db2.gz NYRVLJVHTNLVHU-UHFFFAOYSA-N 1 2 347.415 1.392 20 30 EDEDLO C#CCNc1nc(N2CCC[C@H]2CF)nc(N2CCC[C@H]2CF)[nH+]1 ZINC000292898666 443873125 /nfs/dbraw/zinc/87/31/25/443873125.db2.gz WNOZMHUVBDPIKK-STQMWFEESA-N 1 2 336.390 1.793 20 30 EDEDLO C#CCNc1nc(N2CCC[C@H]2CF)[nH+]c(N2CCC[C@H]2CF)n1 ZINC000292898666 443873133 /nfs/dbraw/zinc/87/31/33/443873133.db2.gz WNOZMHUVBDPIKK-STQMWFEESA-N 1 2 336.390 1.793 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OCC)cc2)C1=O ZINC000281316762 443878502 /nfs/dbraw/zinc/87/85/02/443878502.db2.gz KXQPKWRIYDHVMV-MRXNPFEDSA-N 1 2 331.416 1.743 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(OCC)cc2)C1=O ZINC000281316762 443878505 /nfs/dbraw/zinc/87/85/05/443878505.db2.gz KXQPKWRIYDHVMV-MRXNPFEDSA-N 1 2 331.416 1.743 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000285331762 443944723 /nfs/dbraw/zinc/94/47/23/443944723.db2.gz XMIKAZJMWGFXAF-UHFFFAOYSA-N 1 2 342.399 1.197 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2F)C1=O ZINC000281432931 443910265 /nfs/dbraw/zinc/91/02/65/443910265.db2.gz SQYBNQWGCHXZET-MRXNPFEDSA-N 1 2 333.407 1.503 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2F)C1=O ZINC000281432931 443910269 /nfs/dbraw/zinc/91/02/69/443910269.db2.gz SQYBNQWGCHXZET-MRXNPFEDSA-N 1 2 333.407 1.503 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(C#N)c1C ZINC000281451688 443915503 /nfs/dbraw/zinc/91/55/03/443915503.db2.gz USUHMMQGMSLDTH-YPMHNXCESA-N 1 2 348.428 1.605 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(C#N)c1C ZINC000281451688 443915507 /nfs/dbraw/zinc/91/55/07/443915507.db2.gz USUHMMQGMSLDTH-YPMHNXCESA-N 1 2 348.428 1.605 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000285407360 443973817 /nfs/dbraw/zinc/97/38/17/443973817.db2.gz UMWHZVKLUQBICW-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000285407360 443973820 /nfs/dbraw/zinc/97/38/20/443973820.db2.gz UMWHZVKLUQBICW-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO COC[C@H]1CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000293616834 444072104 /nfs/dbraw/zinc/07/21/04/444072104.db2.gz QBENUYAAEXRACV-OAHLLOKOSA-N 1 2 325.372 1.403 20 30 EDEDLO COC[C@H]1CC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000293616834 444072110 /nfs/dbraw/zinc/07/21/10/444072110.db2.gz QBENUYAAEXRACV-OAHLLOKOSA-N 1 2 325.372 1.403 20 30 EDEDLO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)ccc1C#N ZINC000278095794 444094607 /nfs/dbraw/zinc/09/46/07/444094607.db2.gz VZVFHIANNVRSOT-INIZCTEOSA-N 1 2 349.456 1.352 20 30 EDEDLO N#C[C@]1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC12CCCC2 ZINC000294640601 444132857 /nfs/dbraw/zinc/13/28/57/444132857.db2.gz QMLJGWYNKJUZJB-SFHVURJKSA-N 1 2 343.431 1.628 20 30 EDEDLO C#Cc1ccccc1CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000289823843 444207946 /nfs/dbraw/zinc/20/79/46/444207946.db2.gz AZSZFWBQTWFYED-UHFFFAOYSA-N 1 2 338.411 1.378 20 30 EDEDLO CC(C)n1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 ZINC000290220674 444255781 /nfs/dbraw/zinc/25/57/81/444255781.db2.gz WZGAOPHVENADLK-KRWDZBQOSA-N 1 2 338.415 1.621 20 30 EDEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000337683770 444351204 /nfs/dbraw/zinc/35/12/04/444351204.db2.gz JGVAMWGDUSPZCC-AWEZNQCLSA-N 1 2 348.422 1.361 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N(C)C2CCOCC2)CC1 ZINC000328785576 444352315 /nfs/dbraw/zinc/35/23/15/444352315.db2.gz IUAVYZVVJWRFJQ-CYBMUJFWSA-N 1 2 338.452 1.342 20 30 EDEDLO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC000328795033 444355441 /nfs/dbraw/zinc/35/54/41/444355441.db2.gz SWBXNNLVWNFSHI-ZIAGYGMSSA-N 1 2 334.468 1.140 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)c(C)c1 ZINC000331008276 444356587 /nfs/dbraw/zinc/35/65/87/444356587.db2.gz YKHFCFBLIMWHTA-QLFBSQMISA-N 1 2 349.431 1.435 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](CO)C2)c(C)c1 ZINC000331008276 444356592 /nfs/dbraw/zinc/35/65/92/444356592.db2.gz YKHFCFBLIMWHTA-QLFBSQMISA-N 1 2 349.431 1.435 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1ccnc(C#N)c1 ZINC000290887440 444334836 /nfs/dbraw/zinc/33/48/36/444334836.db2.gz COLAGJHIZMUYIZ-YOEHRIQHSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1ccnc(C#N)c1 ZINC000290887440 444334838 /nfs/dbraw/zinc/33/48/38/444334838.db2.gz COLAGJHIZMUYIZ-YOEHRIQHSA-N 1 2 328.395 1.736 20 30 EDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCN(CC(F)(F)F)CC1 ZINC000328613352 444393717 /nfs/dbraw/zinc/39/37/17/444393717.db2.gz QGOVCSXSGTVQCX-GFCCVEGCSA-N 1 2 345.369 1.854 20 30 EDEDLO CCn1cnnc1[C@@H]1CN(C(=O)Nc2ccc(C)[nH+]c2C)CCO1 ZINC000328619916 444396463 /nfs/dbraw/zinc/39/64/63/444396463.db2.gz GKORVCWFFVHQFL-AWEZNQCLSA-N 1 2 330.392 1.929 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)C[C@@H]21 ZINC000328913329 444399626 /nfs/dbraw/zinc/39/96/26/444399626.db2.gz HZRNCRKBNYUAJM-NWDGAFQWSA-N 1 2 340.305 1.127 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)C[C@@H]21 ZINC000328913329 444399631 /nfs/dbraw/zinc/39/96/31/444399631.db2.gz HZRNCRKBNYUAJM-NWDGAFQWSA-N 1 2 340.305 1.127 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000579097050 321881769 /nfs/dbraw/zinc/88/17/69/321881769.db2.gz KEPPVVMDEKWEQH-UHFFFAOYSA-N 1 2 325.372 1.598 20 30 EDEDLO CC(=O)Nc1ccc(CC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000328914908 444400273 /nfs/dbraw/zinc/40/02/73/444400273.db2.gz QNWMOPLYBLCSPC-IAGOWNOFSA-N 1 2 331.416 1.769 20 30 EDEDLO CC(=O)Nc1ccc(CC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000328914908 444400276 /nfs/dbraw/zinc/40/02/76/444400276.db2.gz QNWMOPLYBLCSPC-IAGOWNOFSA-N 1 2 331.416 1.769 20 30 EDEDLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328683986 444428479 /nfs/dbraw/zinc/42/84/79/444428479.db2.gz PMJRKMQQJQWTIE-NYTXWWLZSA-N 1 2 332.400 1.955 20 30 EDEDLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328683986 444428481 /nfs/dbraw/zinc/42/84/81/444428481.db2.gz PMJRKMQQJQWTIE-NYTXWWLZSA-N 1 2 332.400 1.955 20 30 EDEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000337849790 444435782 /nfs/dbraw/zinc/43/57/82/444435782.db2.gz IPTAQFKOYCBHIG-AWEZNQCLSA-N 1 2 328.420 1.370 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cnn2ncccc12)C1CCOCC1 ZINC000329171851 444491142 /nfs/dbraw/zinc/49/11/42/444491142.db2.gz KGCAAGHJBVGEGM-OAHLLOKOSA-N 1 2 340.387 1.935 20 30 EDEDLO C[C@H](NC(=O)N1CCCC[C@@H]1c1cc[nH]n1)[C@H](C)[NH+]1CCOCC1 ZINC000329237170 444509179 /nfs/dbraw/zinc/50/91/79/444509179.db2.gz KBMIUJPIAVTAEF-OFQRWUPVSA-N 1 2 335.452 1.960 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000329241496 444510512 /nfs/dbraw/zinc/51/05/12/444510512.db2.gz RRGRAYQKVFDTPM-SIXLDLHFSA-N 1 2 337.464 1.653 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCO[C@H](C#N)C1)C2 ZINC000329271676 444517867 /nfs/dbraw/zinc/51/78/67/444517867.db2.gz JJIZTMFPXFYVGJ-QWHCGFSZSA-N 1 2 331.420 1.634 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC000332617692 444522651 /nfs/dbraw/zinc/52/26/51/444522651.db2.gz STSTWURAIXNNCN-OWCLPIDISA-N 1 2 346.475 1.518 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000343742355 444558860 /nfs/dbraw/zinc/55/88/60/444558860.db2.gz UUPLHTYYFDZRHV-KRWDZBQOSA-N 1 2 347.484 1.960 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000343742355 444558863 /nfs/dbraw/zinc/55/88/63/444558863.db2.gz UUPLHTYYFDZRHV-KRWDZBQOSA-N 1 2 347.484 1.960 20 30 EDEDLO Cn1ccnc(NC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1=O ZINC000329421097 444573129 /nfs/dbraw/zinc/57/31/29/444573129.db2.gz HLHBXVUQFMCVJW-NSHDSACASA-N 1 2 344.419 1.615 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC1 ZINC000329445753 444581465 /nfs/dbraw/zinc/58/14/65/444581465.db2.gz NVWULNDUBMDBCF-UPJWGTAASA-N 1 2 336.436 1.393 20 30 EDEDLO CN(C(=O)C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1)C1(C#N)CCCCC1 ZINC000329561414 444629178 /nfs/dbraw/zinc/62/91/78/444629178.db2.gz JFJICDLZKSNZHL-AWEZNQCLSA-N 1 2 341.477 1.038 20 30 EDEDLO CN(C(=O)C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1)C1(C#N)CCCCC1 ZINC000329561414 444629181 /nfs/dbraw/zinc/62/91/81/444629181.db2.gz JFJICDLZKSNZHL-AWEZNQCLSA-N 1 2 341.477 1.038 20 30 EDEDLO NC(=O)N1CCC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329452326 444585563 /nfs/dbraw/zinc/58/55/63/444585563.db2.gz MEXZXSYUXWDGLP-UKRRQHHQSA-N 1 2 338.452 1.791 20 30 EDEDLO NC(=O)N1CCC[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329452326 444585568 /nfs/dbraw/zinc/58/55/68/444585568.db2.gz MEXZXSYUXWDGLP-UKRRQHHQSA-N 1 2 338.452 1.791 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)[C@@H](C(=O)OC)C1 ZINC000343859829 444631970 /nfs/dbraw/zinc/63/19/70/444631970.db2.gz VTYMDSKVQZXOCB-HZPDHXFCSA-N 1 2 330.384 1.679 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)[C@@H](C(=O)OC)C1 ZINC000343859829 444631974 /nfs/dbraw/zinc/63/19/74/444631974.db2.gz VTYMDSKVQZXOCB-HZPDHXFCSA-N 1 2 330.384 1.679 20 30 EDEDLO CC(C)c1nnc2n1C[C@H](NC(=O)C1([NH+]3CCOCC3)CCC1)CC2 ZINC000329480191 444597310 /nfs/dbraw/zinc/59/73/10/444597310.db2.gz VMIWXIKVOMZKFM-CQSZACIVSA-N 1 2 347.463 1.928 20 30 EDEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@]2(CCOC2)O1 ZINC000329622994 444653781 /nfs/dbraw/zinc/65/37/81/444653781.db2.gz SBDIZJKXUGBYJY-PXAZEXFGSA-N 1 2 334.420 1.451 20 30 EDEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@]2(CCOC2)O1 ZINC000329622994 444653787 /nfs/dbraw/zinc/65/37/87/444653787.db2.gz SBDIZJKXUGBYJY-PXAZEXFGSA-N 1 2 334.420 1.451 20 30 EDEDLO CCC1(CC)[C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)[C@H](C)[C@H]1OC ZINC000329626843 444654890 /nfs/dbraw/zinc/65/48/90/444654890.db2.gz UCORADLWENSZET-AALSBFMBSA-N 1 2 339.480 1.755 20 30 EDEDLO CCC1(CC)[C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)[C@H](C)[C@H]1OC ZINC000329626843 444654893 /nfs/dbraw/zinc/65/48/93/444654893.db2.gz UCORADLWENSZET-AALSBFMBSA-N 1 2 339.480 1.755 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc2c(c1)OCO2 ZINC000329721035 444692833 /nfs/dbraw/zinc/69/28/33/444692833.db2.gz DUYJHDAVNJFTAQ-ZFWWWQNUSA-N 1 2 347.415 1.797 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3C[C@@H]4CCC[C@@H]43)ccn2)CC1 ZINC000329845834 444737904 /nfs/dbraw/zinc/73/79/04/444737904.db2.gz OTAYBCCOUDZWOM-BBRMVZONSA-N 1 2 343.431 1.499 20 30 EDEDLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NC[C@H]1COc2ccccc2O1 ZINC000329871998 444748257 /nfs/dbraw/zinc/74/82/57/444748257.db2.gz BDQAMWBLYOPLKT-KBXCAEBGSA-N 1 2 348.399 1.274 20 30 EDEDLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NC[C@H]1COc2ccccc2O1 ZINC000329871998 444748258 /nfs/dbraw/zinc/74/82/58/444748258.db2.gz BDQAMWBLYOPLKT-KBXCAEBGSA-N 1 2 348.399 1.274 20 30 EDEDLO Cc1c(C(=O)N[C@@H](C)C[NH+]2CCOCC2)nnn1CC1CCCC1 ZINC000329883353 444752539 /nfs/dbraw/zinc/75/25/39/444752539.db2.gz QXZJYRRMLFNCED-ZDUSSCGKSA-N 1 2 335.452 1.802 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@H](C3CCC3)C2)CC1 ZINC000334038096 444756027 /nfs/dbraw/zinc/75/60/27/444756027.db2.gz NRWFPNFFQCSLGA-MSOLQXFVSA-N 1 2 348.491 1.180 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@H](C3CCC3)C2)CC1 ZINC000334038096 444756031 /nfs/dbraw/zinc/75/60/31/444756031.db2.gz NRWFPNFFQCSLGA-MSOLQXFVSA-N 1 2 348.491 1.180 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000342589382 444760071 /nfs/dbraw/zinc/76/00/71/444760071.db2.gz BZUOVLAKCUBWKP-VIFPVBQESA-N 1 2 326.328 1.400 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@@H]21 ZINC000329922394 444769726 /nfs/dbraw/zinc/76/97/26/444769726.db2.gz GJKWKNOXIQDZOC-QWHCGFSZSA-N 1 2 336.461 1.972 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@@H]21 ZINC000329922394 444769729 /nfs/dbraw/zinc/76/97/29/444769729.db2.gz GJKWKNOXIQDZOC-QWHCGFSZSA-N 1 2 336.461 1.972 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(N4CCCC4)nc3)C[C@@H]21 ZINC000329971522 444793644 /nfs/dbraw/zinc/79/36/44/444793644.db2.gz YOLKUYXILLCCSO-LSDHHAIUSA-N 1 2 331.420 1.242 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(N4CCCC4)nc3)C[C@@H]21 ZINC000329971522 444793647 /nfs/dbraw/zinc/79/36/47/444793647.db2.gz YOLKUYXILLCCSO-LSDHHAIUSA-N 1 2 331.420 1.242 20 30 EDEDLO C[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@@]2(CCCOC2)O1 ZINC000330076339 444835239 /nfs/dbraw/zinc/83/52/39/444835239.db2.gz MIWNFFBBBNTWBH-RDTXWAMCSA-N 1 2 348.447 1.903 20 30 EDEDLO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)[NH+](C)C ZINC000344210841 444841737 /nfs/dbraw/zinc/84/17/37/444841737.db2.gz CWUALUYKWBKCCM-CQSZACIVSA-N 1 2 349.412 1.741 20 30 EDEDLO Cc1ccn2cc(CNC(=O)C(=O)Nc3cccc(C#N)c3)[nH+]c2c1 ZINC000342804511 444874430 /nfs/dbraw/zinc/87/44/30/444874430.db2.gz TWXDDLSFTAXLEK-UHFFFAOYSA-N 1 2 333.351 1.769 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000344292150 444883743 /nfs/dbraw/zinc/88/37/43/444883743.db2.gz FLJOZNSFIUHVJR-UHFFFAOYSA-N 1 2 342.380 1.875 20 30 EDEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CC2(C1)CCCC2 ZINC000330260972 444911995 /nfs/dbraw/zinc/91/19/95/444911995.db2.gz TWSOGBQJAZEJSV-UHFFFAOYSA-N 1 2 348.491 1.721 20 30 EDEDLO C[C@@H](C(=O)NCc1[nH+]ccn1CCc1ccccc1)n1cnc(C#N)n1 ZINC000337046891 444916260 /nfs/dbraw/zinc/91/62/60/444916260.db2.gz LQKMRARNMNNSMX-AWEZNQCLSA-N 1 2 349.398 1.466 20 30 EDEDLO O=C1C[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CN1C1CCCCC1 ZINC000330276704 444918210 /nfs/dbraw/zinc/91/82/10/444918210.db2.gz NHHXQEFXUAYHLI-KBPBESRZSA-N 1 2 345.447 1.635 20 30 EDEDLO O=C1C[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CN1C1CCCCC1 ZINC000330276704 444918214 /nfs/dbraw/zinc/91/82/14/444918214.db2.gz NHHXQEFXUAYHLI-KBPBESRZSA-N 1 2 345.447 1.635 20 30 EDEDLO CC[N@H+](CC(=O)NCCn1cnc(C#N)n1)Cc1ccccc1Cl ZINC000342888872 444920348 /nfs/dbraw/zinc/92/03/48/444920348.db2.gz DRGUYPLFWYOORC-UHFFFAOYSA-N 1 2 346.822 1.441 20 30 EDEDLO CC[N@@H+](CC(=O)NCCn1cnc(C#N)n1)Cc1ccccc1Cl ZINC000342888872 444920351 /nfs/dbraw/zinc/92/03/51/444920351.db2.gz DRGUYPLFWYOORC-UHFFFAOYSA-N 1 2 346.822 1.441 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCCc2ccccc2)C1=O ZINC000337227245 444994413 /nfs/dbraw/zinc/99/44/13/444994413.db2.gz PWYKSAZGMJTKQB-WBVHZDCISA-N 1 2 329.444 1.453 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCCc2ccccc2)C1=O ZINC000337227245 444994420 /nfs/dbraw/zinc/99/44/20/444994420.db2.gz PWYKSAZGMJTKQB-WBVHZDCISA-N 1 2 329.444 1.453 20 30 EDEDLO COC[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC(C)(C)O1 ZINC000330516350 445014789 /nfs/dbraw/zinc/01/47/89/445014789.db2.gz FFAGDZNIVDMWKT-LSDHHAIUSA-N 1 2 337.464 1.843 20 30 EDEDLO COC[C@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC(C)(C)O1 ZINC000330516350 445014791 /nfs/dbraw/zinc/01/47/91/445014791.db2.gz FFAGDZNIVDMWKT-LSDHHAIUSA-N 1 2 337.464 1.843 20 30 EDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000337408745 445066672 /nfs/dbraw/zinc/06/66/72/445066672.db2.gz PCCVYCAFZLKGBS-HNNXBMFYSA-N 1 2 332.429 1.605 20 30 EDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000337408745 445066678 /nfs/dbraw/zinc/06/66/78/445066678.db2.gz PCCVYCAFZLKGBS-HNNXBMFYSA-N 1 2 332.429 1.605 20 30 EDEDLO CS(=O)(=O)[C@H]1CCCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000337408745 445066684 /nfs/dbraw/zinc/06/66/84/445066684.db2.gz PCCVYCAFZLKGBS-HNNXBMFYSA-N 1 2 332.429 1.605 20 30 EDEDLO CO[C@@H]1C[C@H](C(N)=O)[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000344528979 445036715 /nfs/dbraw/zinc/03/67/15/445036715.db2.gz XMWAYYBPDRZMEM-ZIAGYGMSSA-N 1 2 342.317 1.511 20 30 EDEDLO CO[C@@H]1C[C@H](C(N)=O)[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000344528979 445036716 /nfs/dbraw/zinc/03/67/16/445036716.db2.gz XMWAYYBPDRZMEM-ZIAGYGMSSA-N 1 2 342.317 1.511 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000337357641 445046693 /nfs/dbraw/zinc/04/66/93/445046693.db2.gz CHTGQPWXZKMBBU-ZDUSSCGKSA-N 1 2 341.415 1.375 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000330762149 445130984 /nfs/dbraw/zinc/13/09/84/445130984.db2.gz NWGDGGQVZKEVDA-CABCVRRESA-N 1 2 334.464 1.708 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000330762149 445130986 /nfs/dbraw/zinc/13/09/86/445130986.db2.gz NWGDGGQVZKEVDA-CABCVRRESA-N 1 2 334.464 1.708 20 30 EDEDLO C[C@H](c1ncc(Br)cn1)[N@H+](C)CCNC(=O)N(C)C ZINC000330707251 445106018 /nfs/dbraw/zinc/10/60/18/445106018.db2.gz LYHMACUECZWMGL-SECBINFHSA-N 1 2 330.230 1.708 20 30 EDEDLO C[C@H](c1ncc(Br)cn1)[N@@H+](C)CCNC(=O)N(C)C ZINC000330707251 445106022 /nfs/dbraw/zinc/10/60/22/445106022.db2.gz LYHMACUECZWMGL-SECBINFHSA-N 1 2 330.230 1.708 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000339860044 445174744 /nfs/dbraw/zinc/17/47/44/445174744.db2.gz RZAFKGGIEHPLPS-AWEZNQCLSA-N 1 2 330.363 1.409 20 30 EDEDLO CC1(CO)CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000330888086 445181816 /nfs/dbraw/zinc/18/18/16/445181816.db2.gz UABFQVBMTKIGDE-UHFFFAOYSA-N 1 2 334.342 1.954 20 30 EDEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@]1=O ZINC000330832793 445158689 /nfs/dbraw/zinc/15/86/89/445158689.db2.gz HLRJWVFVQKIVMS-RKFFSXRUSA-N 1 2 339.848 1.993 20 30 EDEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@]1=O ZINC000330832793 445158694 /nfs/dbraw/zinc/15/86/94/445158694.db2.gz HLRJWVFVQKIVMS-RKFFSXRUSA-N 1 2 339.848 1.993 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000346506237 445217317 /nfs/dbraw/zinc/21/73/17/445217317.db2.gz RCABMBXHVAXWSZ-NPMABZOXSA-N 1 2 333.457 1.807 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000346506237 445217319 /nfs/dbraw/zinc/21/73/19/445217319.db2.gz RCABMBXHVAXWSZ-NPMABZOXSA-N 1 2 333.457 1.807 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000343327978 445200583 /nfs/dbraw/zinc/20/05/83/445200583.db2.gz BPVZDLMVMAPCLV-JKSUJKDBSA-N 1 2 339.480 1.417 20 30 EDEDLO N#Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)cc1 ZINC000343441922 445223514 /nfs/dbraw/zinc/22/35/14/445223514.db2.gz MBEPWPFPMDUJAI-UHFFFAOYSA-N 1 2 336.395 1.715 20 30 EDEDLO CCCN(CCC)S(=O)(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000347121530 445232356 /nfs/dbraw/zinc/23/23/56/445232356.db2.gz GETYPLNXKJINMX-UHFFFAOYSA-N 1 2 344.525 1.911 20 30 EDEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000348332679 445259373 /nfs/dbraw/zinc/25/93/73/445259373.db2.gz VIXIEDNRVLXARF-MRXNPFEDSA-N 1 2 332.835 1.801 20 30 EDEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000348539046 445319855 /nfs/dbraw/zinc/31/98/55/445319855.db2.gz SNNFXNVCERREJJ-UKRRQHHQSA-N 1 2 349.456 1.444 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000351820031 445333146 /nfs/dbraw/zinc/33/31/46/445333146.db2.gz MUFVHUVICAKBRA-UHFFFAOYSA-N 1 2 331.391 1.520 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncccc2C(=O)OC(C)C)CC1 ZINC000359706413 445385672 /nfs/dbraw/zinc/38/56/72/445385672.db2.gz LBSDFUVDHCZJQY-UHFFFAOYSA-N 1 2 346.431 1.071 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355101664 445444276 /nfs/dbraw/zinc/44/42/76/445444276.db2.gz JBFNBSUBXFTTPE-INIZCTEOSA-N 1 2 341.459 1.888 20 30 EDEDLO CCOC(=O)[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000359843800 445456810 /nfs/dbraw/zinc/45/68/10/445456810.db2.gz RXKGAZMMUIHGNZ-DOTOQJQBSA-N 1 2 332.400 1.885 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1)OCC ZINC000362742689 445527970 /nfs/dbraw/zinc/52/79/70/445527970.db2.gz WENPIZXIVGDKCB-JKSUJKDBSA-N 1 2 337.464 1.171 20 30 EDEDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000352887038 445563209 /nfs/dbraw/zinc/56/32/09/445563209.db2.gz FUICLTGEXOUMQX-UHFFFAOYSA-N 1 2 343.493 1.443 20 30 EDEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)N1CCCCCC1 ZINC000353171707 445577923 /nfs/dbraw/zinc/57/79/23/445577923.db2.gz MNTDKLFLDJNVRY-SFHVURJKSA-N 1 2 336.480 1.765 20 30 EDEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)N1CCCCCC1 ZINC000353171707 445577924 /nfs/dbraw/zinc/57/79/24/445577924.db2.gz MNTDKLFLDJNVRY-SFHVURJKSA-N 1 2 336.480 1.765 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1C#N ZINC000349757062 445667896 /nfs/dbraw/zinc/66/78/96/445667896.db2.gz JNBGLPKSKPKDAM-GWCFXTLKSA-N 1 2 334.445 1.793 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1C#N ZINC000349757062 445667899 /nfs/dbraw/zinc/66/78/99/445667899.db2.gz JNBGLPKSKPKDAM-GWCFXTLKSA-N 1 2 334.445 1.793 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000363330975 445768859 /nfs/dbraw/zinc/76/88/59/445768859.db2.gz DWMCIBNAQHGPJI-ZIAGYGMSSA-N 1 2 334.372 1.208 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000363330975 445768862 /nfs/dbraw/zinc/76/88/62/445768862.db2.gz DWMCIBNAQHGPJI-ZIAGYGMSSA-N 1 2 334.372 1.208 20 30 EDEDLO Cc1nc(C2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)no1 ZINC000363444550 445806541 /nfs/dbraw/zinc/80/65/41/445806541.db2.gz UEIJVYWIQSSEEA-UHFFFAOYSA-N 1 2 339.399 1.746 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356474904 445810652 /nfs/dbraw/zinc/81/06/52/445810652.db2.gz LQMCQTMSJMPSMH-CXAGYDPISA-N 1 2 332.452 1.417 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356474904 445810654 /nfs/dbraw/zinc/81/06/54/445810654.db2.gz LQMCQTMSJMPSMH-CXAGYDPISA-N 1 2 332.452 1.417 20 30 EDEDLO N#Cc1cnc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000356598480 445878721 /nfs/dbraw/zinc/87/87/21/445878721.db2.gz NZEDUMQJBWBASA-CYBMUJFWSA-N 1 2 334.807 1.543 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000363540275 445851068 /nfs/dbraw/zinc/85/10/68/445851068.db2.gz UQBRNENBRDKBDN-UHFFFAOYSA-N 1 2 338.411 1.065 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000363540275 445851072 /nfs/dbraw/zinc/85/10/72/445851072.db2.gz UQBRNENBRDKBDN-UHFFFAOYSA-N 1 2 338.411 1.065 20 30 EDEDLO C=CC[N@@H+](Cc1ccc2c(c1)oc(=O)n2C)[C@H]1CCS(=O)(=O)C1 ZINC000350628138 445863295 /nfs/dbraw/zinc/86/32/95/445863295.db2.gz HUFABPZGVRKLJW-ZDUSSCGKSA-N 1 2 336.413 1.307 20 30 EDEDLO C=CC[N@H+](Cc1ccc2c(c1)oc(=O)n2C)[C@H]1CCS(=O)(=O)C1 ZINC000350628138 445863299 /nfs/dbraw/zinc/86/32/99/445863299.db2.gz HUFABPZGVRKLJW-ZDUSSCGKSA-N 1 2 336.413 1.307 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(C#N)CCc2ccccc2C1 ZINC000364183652 445900003 /nfs/dbraw/zinc/90/00/03/445900003.db2.gz YDPZCWSYUOMHHJ-OXJNMPFZSA-N 1 2 341.455 1.864 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000369169350 445966601 /nfs/dbraw/zinc/96/66/01/445966601.db2.gz ZZOMVUGZSVLKNP-UHFFFAOYSA-N 1 2 344.415 1.406 20 30 EDEDLO C=CCCC1(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000356726526 445970197 /nfs/dbraw/zinc/97/01/97/445970197.db2.gz HIUMHTJGYOGEFT-AWEZNQCLSA-N 1 2 330.432 1.774 20 30 EDEDLO CCOC1CC(CNC(=O)c2cscc2C#N)([NH+]2CCOCC2)C1 ZINC000351078834 445989078 /nfs/dbraw/zinc/98/90/78/445989078.db2.gz MJRXQVAAMQUDCA-UHFFFAOYSA-N 1 2 349.456 1.619 20 30 EDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(N3CN=NC3=O)CC2)cc1 ZINC000583330403 326052485 /nfs/dbraw/zinc/05/24/85/326052485.db2.gz YLWDIIJPMNHZIV-UHFFFAOYSA-N 1 2 326.360 1.131 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1CNC(=O)c1cccc(C#N)c1 ZINC000351514315 446116346 /nfs/dbraw/zinc/11/63/46/446116346.db2.gz OISPMHXDCYLVEA-CVEARBPZSA-N 1 2 341.390 1.634 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@@]2(CCCOC2)O1 ZINC000373637928 446287039 /nfs/dbraw/zinc/28/70/39/446287039.db2.gz LKIQZDIBRJDGLC-RDTXWAMCSA-N 1 2 326.400 1.976 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@@]2(CCCOC2)O1 ZINC000373637928 446287042 /nfs/dbraw/zinc/28/70/42/446287042.db2.gz LKIQZDIBRJDGLC-RDTXWAMCSA-N 1 2 326.400 1.976 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000370460670 446288584 /nfs/dbraw/zinc/28/85/84/446288584.db2.gz LVRFADZAPVQZFP-UHFFFAOYSA-N 1 2 327.388 1.541 20 30 EDEDLO N#Cc1cc(NC(=O)c2cnn(CC[NH+]3CCOCC3)c2)ccc1F ZINC000365691342 446302458 /nfs/dbraw/zinc/30/24/58/446302458.db2.gz KZWJNAXEIKPQGU-UHFFFAOYSA-N 1 2 343.362 1.478 20 30 EDEDLO N#Cc1cccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)c1 ZINC000370567962 446335563 /nfs/dbraw/zinc/33/55/63/446335563.db2.gz FPWPIFWPVHUXJM-GOSISDBHSA-N 1 2 344.415 1.561 20 30 EDEDLO CCn1ccnc1C[N@@H+]1CCCN(c2nc(C)cc(C#N)n2)CC1 ZINC000376186471 446372091 /nfs/dbraw/zinc/37/20/91/446372091.db2.gz HOVUJCMQXGRVPZ-UHFFFAOYSA-N 1 2 325.420 1.585 20 30 EDEDLO CCn1ccnc1C[N@H+]1CCCN(c2nc(C)cc(C#N)n2)CC1 ZINC000376186471 446372094 /nfs/dbraw/zinc/37/20/94/446372094.db2.gz HOVUJCMQXGRVPZ-UHFFFAOYSA-N 1 2 325.420 1.585 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000370695974 446391107 /nfs/dbraw/zinc/39/11/07/446391107.db2.gz AKRWMHBTYJSWLV-YJBOKZPZSA-N 1 2 335.448 1.599 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000370695974 446391112 /nfs/dbraw/zinc/39/11/12/446391112.db2.gz AKRWMHBTYJSWLV-YJBOKZPZSA-N 1 2 335.448 1.599 20 30 EDEDLO Cc1nc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000411051271 446397879 /nfs/dbraw/zinc/39/78/79/446397879.db2.gz MERRKPATWGBNFE-KRWDZBQOSA-N 1 2 336.395 2.101 20 30 EDEDLO Cc1nc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000411051271 446397886 /nfs/dbraw/zinc/39/78/86/446397886.db2.gz MERRKPATWGBNFE-KRWDZBQOSA-N 1 2 336.395 2.101 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](n3cncn3)C2)c(C#N)c1C ZINC000376338038 446438774 /nfs/dbraw/zinc/43/87/74/446438774.db2.gz YVUXGLISYZGKHY-WCQYABFASA-N 1 2 328.376 1.634 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](n3cncn3)C2)c(C#N)c1C ZINC000376338038 446438782 /nfs/dbraw/zinc/43/87/82/446438782.db2.gz YVUXGLISYZGKHY-WCQYABFASA-N 1 2 328.376 1.634 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000366934691 446416553 /nfs/dbraw/zinc/41/65/53/446416553.db2.gz QWMHIFNDAFGLMF-IBGZPJMESA-N 1 2 343.427 1.969 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000366934691 446416556 /nfs/dbraw/zinc/41/65/56/446416556.db2.gz QWMHIFNDAFGLMF-IBGZPJMESA-N 1 2 343.427 1.969 20 30 EDEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C#N)CC1 ZINC000433300933 446553311 /nfs/dbraw/zinc/55/33/11/446553311.db2.gz FPSKHQNMHZRELI-UHFFFAOYSA-N 1 2 336.480 1.573 20 30 EDEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C#N)CC1 ZINC000433300933 446553318 /nfs/dbraw/zinc/55/33/18/446553318.db2.gz FPSKHQNMHZRELI-UHFFFAOYSA-N 1 2 336.480 1.573 20 30 EDEDLO COc1ccc(CCNC(=O)C[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000433303350 446554259 /nfs/dbraw/zinc/55/42/59/446554259.db2.gz HYISSMHSEAGNGI-UHFFFAOYSA-N 1 2 333.432 1.844 20 30 EDEDLO COc1ccc(CCNC(=O)C[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000433303350 446554265 /nfs/dbraw/zinc/55/42/65/446554265.db2.gz HYISSMHSEAGNGI-UHFFFAOYSA-N 1 2 333.432 1.844 20 30 EDEDLO C=CCOCC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000433437989 446573309 /nfs/dbraw/zinc/57/33/09/446573309.db2.gz VXMZBMNTEBWSIH-OAHLLOKOSA-N 1 2 331.416 1.864 20 30 EDEDLO C=C(C)COCCNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000433538265 446586960 /nfs/dbraw/zinc/58/69/60/446586960.db2.gz IAPAHTMCWLGIRN-HNNXBMFYSA-N 1 2 348.447 1.903 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000375241281 446664451 /nfs/dbraw/zinc/66/44/51/446664451.db2.gz RPJMZMDDYMXGMT-MLGOLLRUSA-N 1 2 340.343 1.632 20 30 EDEDLO C[C@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000435092213 446677810 /nfs/dbraw/zinc/67/78/10/446677810.db2.gz SDWVWAREDRUZHO-YJBOKZPZSA-N 1 2 339.439 1.769 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000375384628 446762173 /nfs/dbraw/zinc/76/21/73/446762173.db2.gz PJZNLIUMFQZQRC-IRXDYDNUSA-N 1 2 334.441 1.975 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000375384628 446762174 /nfs/dbraw/zinc/76/21/74/446762174.db2.gz PJZNLIUMFQZQRC-IRXDYDNUSA-N 1 2 334.441 1.975 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3ncccc3C2)CC1 ZINC000368322027 446785956 /nfs/dbraw/zinc/78/59/56/446785956.db2.gz RLBJBRFMKOYRGH-GOSISDBHSA-N 1 2 341.459 1.132 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3ncccc3C2)CC1 ZINC000368322027 446785962 /nfs/dbraw/zinc/78/59/62/446785962.db2.gz RLBJBRFMKOYRGH-GOSISDBHSA-N 1 2 341.459 1.132 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439447520 446817259 /nfs/dbraw/zinc/81/72/59/446817259.db2.gz RIPINELMMWUQHX-ZDUSSCGKSA-N 1 2 346.862 1.996 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1C#N ZINC000439498546 446819232 /nfs/dbraw/zinc/81/92/32/446819232.db2.gz ZCGYSCDQTREWNN-GFCCVEGCSA-N 1 2 346.456 1.939 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)C2)no1 ZINC000368388224 446829931 /nfs/dbraw/zinc/82/99/31/446829931.db2.gz AJQWHIKUIDYAIO-AWEZNQCLSA-N 1 2 342.359 1.869 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)C2)no1 ZINC000368388224 446829936 /nfs/dbraw/zinc/82/99/36/446829936.db2.gz AJQWHIKUIDYAIO-AWEZNQCLSA-N 1 2 342.359 1.869 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000375496237 446847508 /nfs/dbraw/zinc/84/75/08/446847508.db2.gz DGINLOLWGJXYMH-AWEZNQCLSA-N 1 2 338.839 1.469 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000375496237 446847517 /nfs/dbraw/zinc/84/75/17/446847517.db2.gz DGINLOLWGJXYMH-AWEZNQCLSA-N 1 2 338.839 1.469 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412094413 446853233 /nfs/dbraw/zinc/85/32/33/446853233.db2.gz DZWFEMKLLYTDTH-GMXABZIVSA-N 1 2 337.807 1.214 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412094413 446853236 /nfs/dbraw/zinc/85/32/36/446853236.db2.gz DZWFEMKLLYTDTH-GMXABZIVSA-N 1 2 337.807 1.214 20 30 EDEDLO C=CCn1cc(C[NH2+][C@H](CCCC)C(=O)Nc2cc(C)on2)nn1 ZINC000424138762 446860012 /nfs/dbraw/zinc/86/00/12/446860012.db2.gz MVFXZASPUWFPRK-CQSZACIVSA-N 1 2 332.408 2.048 20 30 EDEDLO COC(=O)[C@H](O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000441248636 446865828 /nfs/dbraw/zinc/86/58/28/446865828.db2.gz WBTGWZKEXRTEQV-MLGOLLRUSA-N 1 2 345.399 1.131 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(CC#N)CC1)C1CCOCC1 ZINC000375677163 446970749 /nfs/dbraw/zinc/97/07/49/446970749.db2.gz QBLBUUFXXYXXJA-CQSZACIVSA-N 1 2 331.420 1.881 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)N2CCn3cc(C)[nH+]c3C2)c1 ZINC000371736124 446955368 /nfs/dbraw/zinc/95/53/68/446955368.db2.gz NJASQHLPCAFYHY-UHFFFAOYSA-N 1 2 340.383 1.737 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000420992051 446971963 /nfs/dbraw/zinc/97/19/63/446971963.db2.gz XSAJHZWTVOFWLU-QGZVFWFLSA-N 1 2 342.443 1.761 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000420992051 446971971 /nfs/dbraw/zinc/97/19/71/446971971.db2.gz XSAJHZWTVOFWLU-QGZVFWFLSA-N 1 2 342.443 1.761 20 30 EDEDLO Cc1cc(NCCC(=O)N2CCN(c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425220972 447070531 /nfs/dbraw/zinc/07/05/31/447070531.db2.gz JBHDIUURCSWNBK-UHFFFAOYSA-N 1 2 349.438 1.834 20 30 EDEDLO Cc1cc(S(=O)(=O)NC[C@@H]2CCn3cc[nH+]c3C2)ccc1C#N ZINC000368916238 447201159 /nfs/dbraw/zinc/20/11/59/447201159.db2.gz XZUGBRJCNNEOGG-CYBMUJFWSA-N 1 2 330.413 1.604 20 30 EDEDLO CC[C@@](C)(C(=O)OC)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC1CC1 ZINC000425518689 447207234 /nfs/dbraw/zinc/20/72/34/447207234.db2.gz ZVOTUKHVQURFRJ-ROUUACIJSA-N 1 2 335.448 1.849 20 30 EDEDLO CC[C@@](C)(C(=O)OC)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC1CC1 ZINC000425518689 447207244 /nfs/dbraw/zinc/20/72/44/447207244.db2.gz ZVOTUKHVQURFRJ-ROUUACIJSA-N 1 2 335.448 1.849 20 30 EDEDLO CC(C)(CNC(=O)Nc1cnc(C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000455746020 447220572 /nfs/dbraw/zinc/22/05/72/447220572.db2.gz AZCFGAQCHIFTFT-UHFFFAOYSA-N 1 2 337.811 1.839 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)o2)cc1 ZINC000368974588 447239752 /nfs/dbraw/zinc/23/97/52/447239752.db2.gz OHIILDFLDFIVQC-SQWLQELKSA-N 1 2 337.383 1.694 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)o2)cc1 ZINC000368974588 447239754 /nfs/dbraw/zinc/23/97/54/447239754.db2.gz OHIILDFLDFIVQC-SQWLQELKSA-N 1 2 337.383 1.694 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000413877062 447261881 /nfs/dbraw/zinc/26/18/81/447261881.db2.gz LBPNMWZRPMSDNP-QGZVFWFLSA-N 1 2 328.453 1.021 20 30 EDEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000369018194 447267114 /nfs/dbraw/zinc/26/71/14/447267114.db2.gz RQNBWBYNHYUORT-NSHDSACASA-N 1 2 345.827 1.864 20 30 EDEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000369018194 447267116 /nfs/dbraw/zinc/26/71/16/447267116.db2.gz RQNBWBYNHYUORT-NSHDSACASA-N 1 2 345.827 1.864 20 30 EDEDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)ncc1C#N ZINC000457425270 447577366 /nfs/dbraw/zinc/57/73/66/447577366.db2.gz QJZGOJIOKBVISA-UHFFFAOYSA-N 1 2 337.383 1.423 20 30 EDEDLO C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)C[C@@H]1n1cc[nH+]c1 ZINC000422483435 447586572 /nfs/dbraw/zinc/58/65/72/447586572.db2.gz XJDUIIJXZAXWSR-KGLIPLIRSA-N 1 2 331.420 1.349 20 30 EDEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)S(=O)(=O)[C@@H](C)C#N ZINC000416409507 447593118 /nfs/dbraw/zinc/59/31/18/447593118.db2.gz BLQMBPDXWMTOBS-AWEZNQCLSA-N 1 2 336.461 1.862 20 30 EDEDLO COC(=O)c1cccc2c1CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000459533224 447697869 /nfs/dbraw/zinc/69/78/69/447697869.db2.gz GFZULGCVZIEJGM-IBGZPJMESA-N 1 2 341.411 1.640 20 30 EDEDLO COC(=O)c1cccc2c1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000459533224 447697874 /nfs/dbraw/zinc/69/78/74/447697874.db2.gz GFZULGCVZIEJGM-IBGZPJMESA-N 1 2 341.411 1.640 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000496065128 447702324 /nfs/dbraw/zinc/70/23/24/447702324.db2.gz WKFDLZNMHNLUPQ-OAHLLOKOSA-N 1 2 327.388 1.869 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000496065128 447702330 /nfs/dbraw/zinc/70/23/30/447702330.db2.gz WKFDLZNMHNLUPQ-OAHLLOKOSA-N 1 2 327.388 1.869 20 30 EDEDLO CCOCC[N@@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@H]1C ZINC000451205502 447705198 /nfs/dbraw/zinc/70/51/98/447705198.db2.gz AKZJUINLCKJOGJ-CQSZACIVSA-N 1 2 331.482 1.299 20 30 EDEDLO CCOCC[N@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@H]1C ZINC000451205502 447705201 /nfs/dbraw/zinc/70/52/01/447705201.db2.gz AKZJUINLCKJOGJ-CQSZACIVSA-N 1 2 331.482 1.299 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451207301 447705555 /nfs/dbraw/zinc/70/55/55/447705555.db2.gz KEEBWAGLCXNAHE-AWEZNQCLSA-N 1 2 342.443 1.758 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451207301 447705559 /nfs/dbraw/zinc/70/55/59/447705559.db2.gz KEEBWAGLCXNAHE-AWEZNQCLSA-N 1 2 342.443 1.758 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408349856 447653519 /nfs/dbraw/zinc/65/35/19/447653519.db2.gz UZNAVSZSOSHAPZ-JLSDUUJJSA-N 1 2 337.464 1.699 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000408349856 447653524 /nfs/dbraw/zinc/65/35/24/447653524.db2.gz UZNAVSZSOSHAPZ-JLSDUUJJSA-N 1 2 337.464 1.699 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)CC1(CC#N)CC1 ZINC000451022440 447653532 /nfs/dbraw/zinc/65/35/32/447653532.db2.gz HVWDKIHSKKIOOZ-UHFFFAOYSA-N 1 2 332.429 1.958 20 30 EDEDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000408404041 447657324 /nfs/dbraw/zinc/65/73/24/447657324.db2.gz NGAYWAOIGNBJIK-NSHDSACASA-N 1 2 343.474 1.085 20 30 EDEDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000408404041 447657330 /nfs/dbraw/zinc/65/73/30/447657330.db2.gz NGAYWAOIGNBJIK-NSHDSACASA-N 1 2 343.474 1.085 20 30 EDEDLO CS(=O)(=O)NCC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428956569 447720724 /nfs/dbraw/zinc/72/07/24/447720724.db2.gz OJMRZLNGKFHCPU-UHFFFAOYSA-N 1 2 325.409 1.459 20 30 EDEDLO C[C@@H]1[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000496377120 447760964 /nfs/dbraw/zinc/76/09/64/447760964.db2.gz KGMFITZXKVYYDH-IIYDPXPESA-N 1 2 338.452 1.592 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451875998 447770954 /nfs/dbraw/zinc/77/09/54/447770954.db2.gz XCYMVYMOERGONB-KBPBESRZSA-N 1 2 348.413 1.811 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451875998 447770956 /nfs/dbraw/zinc/77/09/56/447770956.db2.gz XCYMVYMOERGONB-KBPBESRZSA-N 1 2 348.413 1.811 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)C[NH+]2CC(C)(C)C2)[C@H](C#N)C1 ZINC000496644444 447840020 /nfs/dbraw/zinc/84/00/20/447840020.db2.gz WNWNNAFSLZJLLJ-CYBMUJFWSA-N 1 2 336.436 1.300 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000523120080 447873681 /nfs/dbraw/zinc/87/36/81/447873681.db2.gz IUGFOHJNINUHDX-UHFFFAOYSA-N 1 2 348.366 1.830 20 30 EDEDLO C[C@@H]1CCC[C@@H](OCC(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000523650935 447896048 /nfs/dbraw/zinc/89/60/48/447896048.db2.gz IVWSNZZSIQSDSF-IAGOWNOFSA-N 1 2 337.464 1.656 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000491155494 447941742 /nfs/dbraw/zinc/94/17/42/447941742.db2.gz RSIOHIRNWLNJDQ-GFCCVEGCSA-N 1 2 348.834 1.523 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2c(C)c([N+](=O)[O-])ccc2F)CC1 ZINC000491105449 447925125 /nfs/dbraw/zinc/92/51/25/447925125.db2.gz VUIGFBTWBUQYKF-UHFFFAOYSA-N 1 2 334.351 1.232 20 30 EDEDLO C#CCN(C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000491451405 448030687 /nfs/dbraw/zinc/03/06/87/448030687.db2.gz FYFGLADKCHCEAZ-UHFFFAOYSA-N 1 2 340.427 1.135 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(-c3nccs3)c2)CC1 ZINC000491749661 448102546 /nfs/dbraw/zinc/10/25/46/448102546.db2.gz ZMBFMIWQUWBGTF-UHFFFAOYSA-N 1 2 341.436 1.966 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576759195 448134415 /nfs/dbraw/zinc/13/44/15/448134415.db2.gz UXJAJGYJPRSEPK-CZUORRHYSA-N 1 2 330.388 1.761 20 30 EDEDLO N#CCNC(=O)C[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000507278778 448137248 /nfs/dbraw/zinc/13/72/48/448137248.db2.gz LDWKWKGLRMTRFZ-QGZVFWFLSA-N 1 2 340.358 1.735 20 30 EDEDLO N#Cc1ccc(/C=C/C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000492096030 448178878 /nfs/dbraw/zinc/17/88/78/448178878.db2.gz OKSJEHKNFLLPHA-AATRIKPKSA-N 1 2 336.399 1.007 20 30 EDEDLO C=CCCCNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000559859458 448211507 /nfs/dbraw/zinc/21/15/07/448211507.db2.gz RYQPLRGLLAPPSZ-UHFFFAOYSA-N 1 2 344.459 1.007 20 30 EDEDLO CC(C)Cn1ccnc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000514598135 448169722 /nfs/dbraw/zinc/16/97/22/448169722.db2.gz FKENXZWYUVFHHH-UHFFFAOYSA-N 1 2 346.456 1.974 20 30 EDEDLO C[C@@H](NC(=O)CCc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000514942154 448229362 /nfs/dbraw/zinc/22/93/62/448229362.db2.gz SVICNOBWUNVLRH-RDTXWAMCSA-N 1 2 330.432 1.084 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000561387092 448237073 /nfs/dbraw/zinc/23/70/73/448237073.db2.gz SDCUIVHQAQBCEG-CYBMUJFWSA-N 1 2 327.384 1.811 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000561387092 448237081 /nfs/dbraw/zinc/23/70/81/448237081.db2.gz SDCUIVHQAQBCEG-CYBMUJFWSA-N 1 2 327.384 1.811 20 30 EDEDLO Cc1ccc(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)nc1 ZINC000492462078 448217751 /nfs/dbraw/zinc/21/77/51/448217751.db2.gz QIIOAXQZXPKPHA-AATRIKPKSA-N 1 2 328.416 1.478 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(OC[C@@H]2CCCO2)c1 ZINC000515166617 448267382 /nfs/dbraw/zinc/26/73/82/448267382.db2.gz XEDKGNZMFCFTMM-WMZOPIPTSA-N 1 2 333.432 1.863 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(OC[C@@H]2CCCO2)c1 ZINC000515166617 448267385 /nfs/dbraw/zinc/26/73/85/448267385.db2.gz XEDKGNZMFCFTMM-WMZOPIPTSA-N 1 2 333.432 1.863 20 30 EDEDLO Cc1ncsc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000582557940 448275337 /nfs/dbraw/zinc/27/53/37/448275337.db2.gz YQTCEVVNEFDDGD-UHFFFAOYSA-N 1 2 330.413 1.365 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000563861085 448316766 /nfs/dbraw/zinc/31/67/66/448316766.db2.gz FDBXRPICIWYHKW-SJORKVTESA-N 1 2 338.411 2.470 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2cn[nH]c2C)c(OC)c1 ZINC000582720194 448319798 /nfs/dbraw/zinc/31/97/98/448319798.db2.gz DOGVTUVVRBKJGV-INIZCTEOSA-N 1 2 331.416 1.985 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000563203411 448290538 /nfs/dbraw/zinc/29/05/38/448290538.db2.gz ZJLLJOKUVYINSX-IEBWSBKVSA-N 1 2 349.438 1.855 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000563362390 448295934 /nfs/dbraw/zinc/29/59/34/448295934.db2.gz BWDUGZNGGITZIH-IAGOWNOFSA-N 1 2 348.491 1.514 20 30 EDEDLO N#Cc1ccc(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000527698755 448340032 /nfs/dbraw/zinc/34/00/32/448340032.db2.gz DADYNQNQBFLNAV-UHFFFAOYSA-N 1 2 336.395 1.967 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000572487337 448392719 /nfs/dbraw/zinc/39/27/19/448392719.db2.gz BRWVQOOTMFHCQW-INIZCTEOSA-N 1 2 330.367 1.039 20 30 EDEDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(C#Cc2ccccc2)cc1 ZINC000533477661 448408149 /nfs/dbraw/zinc/40/81/49/448408149.db2.gz AYSICQVPVOOYEM-OAQYLSRUSA-N 1 2 345.446 1.816 20 30 EDEDLO C[C@H](C#N)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000583353015 448431845 /nfs/dbraw/zinc/43/18/45/448431845.db2.gz XWKZQMPQZQQCSL-DOMZBBRYSA-N 1 2 331.420 1.293 20 30 EDEDLO C[C@H](C#N)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000583353015 448431849 /nfs/dbraw/zinc/43/18/49/448431849.db2.gz XWKZQMPQZQQCSL-DOMZBBRYSA-N 1 2 331.420 1.293 20 30 EDEDLO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1nc(C2CCCCC2)no1 ZINC000578063847 448451216 /nfs/dbraw/zinc/45/12/16/448451216.db2.gz BEXSJSCZHWEYFA-ZFWWWQNUSA-N 1 2 335.452 1.974 20 30 EDEDLO C[C@H](NC[C@H](O)C[N@H+](C)CCC#N)c1nc(C2CCCCC2)no1 ZINC000578063847 448451219 /nfs/dbraw/zinc/45/12/19/448451219.db2.gz BEXSJSCZHWEYFA-ZFWWWQNUSA-N 1 2 335.452 1.974 20 30 EDEDLO C[C@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1nc(C2CCCCC2)no1 ZINC000578063847 448451221 /nfs/dbraw/zinc/45/12/21/448451221.db2.gz BEXSJSCZHWEYFA-ZFWWWQNUSA-N 1 2 335.452 1.974 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000578350329 448524827 /nfs/dbraw/zinc/52/48/27/448524827.db2.gz LQNVFLGLQLUROV-YJBOKZPZSA-N 1 2 330.428 1.840 20 30 EDEDLO C[N@H+](CC(=O)NCc1ccccc1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000566646392 448527489 /nfs/dbraw/zinc/52/74/89/448527489.db2.gz KAQJJPYAQHSVBZ-GOSISDBHSA-N 1 2 328.416 1.043 20 30 EDEDLO C[N@@H+](CC(=O)NCc1ccccc1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000566646392 448527494 /nfs/dbraw/zinc/52/74/94/448527494.db2.gz KAQJJPYAQHSVBZ-GOSISDBHSA-N 1 2 328.416 1.043 20 30 EDEDLO N#CCc1ccc(CS(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000566852727 448570929 /nfs/dbraw/zinc/57/09/29/448570929.db2.gz NOMPJIKVZDSELQ-OAHLLOKOSA-N 1 2 330.413 1.384 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C[C@@H]21 ZINC000573332362 448601879 /nfs/dbraw/zinc/60/18/79/448601879.db2.gz XRFWWMQUQBLTOH-DLBZAZTESA-N 1 2 325.412 1.521 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C[C@@H]21 ZINC000573332362 448601882 /nfs/dbraw/zinc/60/18/82/448601882.db2.gz XRFWWMQUQBLTOH-DLBZAZTESA-N 1 2 325.412 1.521 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)CCCCOc2cccc(C#N)c2)CCO1 ZINC000517669109 448603073 /nfs/dbraw/zinc/60/30/73/448603073.db2.gz VQPJFEVEVUBKGD-INIZCTEOSA-N 1 2 345.443 1.944 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)CCCCOc2cccc(C#N)c2)CCO1 ZINC000517669109 448603076 /nfs/dbraw/zinc/60/30/76/448603076.db2.gz VQPJFEVEVUBKGD-INIZCTEOSA-N 1 2 345.443 1.944 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CCC(OC[C@H]2CCCO2)CC1 ZINC000578775960 448635059 /nfs/dbraw/zinc/63/50/59/448635059.db2.gz PXTLVUBTHRQQEH-IOTAOYMUSA-N 1 2 337.464 1.701 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000540361098 448636365 /nfs/dbraw/zinc/63/63/65/448636365.db2.gz RKSNDLJQOPMJGK-ZBFHGGJFSA-N 1 2 328.416 1.993 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000592148985 448709118 /nfs/dbraw/zinc/70/91/18/448709118.db2.gz GJIYAHFGPVYGJQ-CQSZACIVSA-N 1 2 338.205 1.738 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000592148985 448709122 /nfs/dbraw/zinc/70/91/22/448709122.db2.gz GJIYAHFGPVYGJQ-CQSZACIVSA-N 1 2 338.205 1.738 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000592148216 448709488 /nfs/dbraw/zinc/70/94/88/448709488.db2.gz RZAYTTIFLPNADX-MRXNPFEDSA-N 1 2 337.807 1.185 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000592148216 448709493 /nfs/dbraw/zinc/70/94/93/448709493.db2.gz RZAYTTIFLPNADX-MRXNPFEDSA-N 1 2 337.807 1.185 20 30 EDEDLO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149709 448710624 /nfs/dbraw/zinc/71/06/24/448710624.db2.gz UXIRGHLFEJSRFJ-CXAGYDPISA-N 1 2 331.441 1.864 20 30 EDEDLO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149709 448710625 /nfs/dbraw/zinc/71/06/25/448710625.db2.gz UXIRGHLFEJSRFJ-CXAGYDPISA-N 1 2 331.441 1.864 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149517 448710804 /nfs/dbraw/zinc/71/08/04/448710804.db2.gz QJKXQXREGVYNDV-MAUKXSAKSA-N 1 2 326.400 1.672 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149517 448710805 /nfs/dbraw/zinc/71/08/05/448710805.db2.gz QJKXQXREGVYNDV-MAUKXSAKSA-N 1 2 326.400 1.672 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000592151279 448712438 /nfs/dbraw/zinc/71/24/38/448712438.db2.gz LHKYVAZFYIBDDG-GDBMZVCRSA-N 1 2 337.782 1.935 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000592151279 448712442 /nfs/dbraw/zinc/71/24/42/448712442.db2.gz LHKYVAZFYIBDDG-GDBMZVCRSA-N 1 2 337.782 1.935 20 30 EDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000567377899 448680936 /nfs/dbraw/zinc/68/09/36/448680936.db2.gz IDFRIFQBTZDVKQ-KRWDZBQOSA-N 1 2 342.443 1.931 20 30 EDEDLO CCC(C#N)(CC)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000529013155 448735808 /nfs/dbraw/zinc/73/58/08/448735808.db2.gz WJVWKLMOUWBHGX-CYBMUJFWSA-N 1 2 331.420 1.357 20 30 EDEDLO CCNC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000519054766 448737050 /nfs/dbraw/zinc/73/70/50/448737050.db2.gz VBZXVHVLODLQDO-UHFFFAOYSA-N 1 2 337.427 1.673 20 30 EDEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)nnn1Cc1ccc(F)cc1 ZINC000579958028 448922575 /nfs/dbraw/zinc/92/25/75/448922575.db2.gz NWDRXAFHQCVSBW-QGZVFWFLSA-N 1 2 344.394 1.348 20 30 EDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000581550575 448979321 /nfs/dbraw/zinc/97/93/21/448979321.db2.gz FVCAOGUGVXCPIM-CQSZACIVSA-N 1 2 347.382 1.845 20 30 EDEDLO CC(C)Oc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000581669879 448982124 /nfs/dbraw/zinc/98/21/24/448982124.db2.gz KKWLZIJJCDGBCK-INIZCTEOSA-N 1 2 334.376 1.956 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)CCC1 ZINC000568967853 448945080 /nfs/dbraw/zinc/94/50/80/448945080.db2.gz LDMDTQZSXZPPOH-LJQANCHMSA-N 1 2 339.395 1.659 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)CCC1 ZINC000568967853 448945088 /nfs/dbraw/zinc/94/50/88/448945088.db2.gz LDMDTQZSXZPPOH-LJQANCHMSA-N 1 2 339.395 1.659 20 30 EDEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000595609017 449076567 /nfs/dbraw/zinc/07/65/67/449076567.db2.gz DXYWUAGYHSLEPC-CYBMUJFWSA-N 1 2 346.456 1.828 20 30 EDEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000595609017 449076572 /nfs/dbraw/zinc/07/65/72/449076572.db2.gz DXYWUAGYHSLEPC-CYBMUJFWSA-N 1 2 346.456 1.828 20 30 EDEDLO COc1cccnc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000548446554 449046566 /nfs/dbraw/zinc/04/65/66/449046566.db2.gz QHPWZFDPXSSEFV-UHFFFAOYSA-N 1 2 333.392 1.170 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000522191909 449061023 /nfs/dbraw/zinc/06/10/23/449061023.db2.gz RHLMWBSWYMTSEC-UHFFFAOYSA-N 1 2 343.387 1.358 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC(=O)N(C)CC1 ZINC000595775006 449159125 /nfs/dbraw/zinc/15/91/25/449159125.db2.gz YTADHRYPUPJEGE-NSHDSACASA-N 1 2 346.456 1.600 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC(=O)N(C)CC1 ZINC000595775006 449159126 /nfs/dbraw/zinc/15/91/26/449159126.db2.gz YTADHRYPUPJEGE-NSHDSACASA-N 1 2 346.456 1.600 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000595752210 449147277 /nfs/dbraw/zinc/14/72/77/449147277.db2.gz TWYYXKZLMHOUQQ-QGZVFWFLSA-N 1 2 334.441 1.569 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000595752210 449147281 /nfs/dbraw/zinc/14/72/81/449147281.db2.gz TWYYXKZLMHOUQQ-QGZVFWFLSA-N 1 2 334.441 1.569 20 30 EDEDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCN(CCC#N)CC1 ZINC000611175027 449200456 /nfs/dbraw/zinc/20/04/56/449200456.db2.gz VMLXRUPGJZTWEO-HNNXBMFYSA-N 1 2 332.423 1.704 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H](C#N)CCc2ccccc2)[C@H](C)CO1 ZINC000597999376 449185435 /nfs/dbraw/zinc/18/54/35/449185435.db2.gz WBHJZXVBLWDVSQ-JFIYKMOQSA-N 1 2 329.444 1.984 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C#N)CCc2ccccc2)[C@H](C)CO1 ZINC000597999376 449185439 /nfs/dbraw/zinc/18/54/39/449185439.db2.gz WBHJZXVBLWDVSQ-JFIYKMOQSA-N 1 2 329.444 1.984 20 30 EDEDLO N#C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCSC1 ZINC000590627732 449226843 /nfs/dbraw/zinc/22/68/43/449226843.db2.gz QDRZVNLBDZUPNL-HNNXBMFYSA-N 1 2 343.368 1.910 20 30 EDEDLO C[C@@]1(C(F)F)C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000595917107 449251699 /nfs/dbraw/zinc/25/16/99/449251699.db2.gz QPEZUBMSMLVEPI-CJNGLKHVSA-N 1 2 326.343 1.654 20 30 EDEDLO C[C@@]1(C(F)F)C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000595917107 449251704 /nfs/dbraw/zinc/25/17/04/449251704.db2.gz QPEZUBMSMLVEPI-CJNGLKHVSA-N 1 2 326.343 1.654 20 30 EDEDLO N#Cc1ccccc1N1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000593444572 449288063 /nfs/dbraw/zinc/28/80/63/449288063.db2.gz WRUQZJFTHTYPGA-UHFFFAOYSA-N 1 2 349.438 1.982 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(C#N)cn2)C1 ZINC000593952173 449304112 /nfs/dbraw/zinc/30/41/12/449304112.db2.gz OYQNKHOAJXBPPW-HNNXBMFYSA-N 1 2 344.415 1.187 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(C#N)cn2)C1 ZINC000593952173 449304114 /nfs/dbraw/zinc/30/41/14/449304114.db2.gz OYQNKHOAJXBPPW-HNNXBMFYSA-N 1 2 344.415 1.187 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1Cc1ccccc1 ZINC000602096825 449341798 /nfs/dbraw/zinc/34/17/98/449341798.db2.gz LWUQXEULLHRBOB-BRWVUGGUSA-N 1 2 335.411 1.750 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1Cc1ccccc1 ZINC000602096825 449341804 /nfs/dbraw/zinc/34/18/04/449341804.db2.gz LWUQXEULLHRBOB-BRWVUGGUSA-N 1 2 335.411 1.750 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594218290 449394176 /nfs/dbraw/zinc/39/41/76/449394176.db2.gz IVQDWVKSILQNTK-HNNXBMFYSA-N 1 2 342.443 1.957 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594218290 449394180 /nfs/dbraw/zinc/39/41/80/449394180.db2.gz IVQDWVKSILQNTK-HNNXBMFYSA-N 1 2 342.443 1.957 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NC(C)(C)c2cccc(C#N)c2)C1 ZINC000596295536 449460347 /nfs/dbraw/zinc/46/03/47/449460347.db2.gz WJURLHZNEFLXLU-MRXNPFEDSA-N 1 2 329.448 1.338 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC(C)(C)c2cccc(C#N)c2)C1 ZINC000596295536 449460354 /nfs/dbraw/zinc/46/03/54/449460354.db2.gz WJURLHZNEFLXLU-MRXNPFEDSA-N 1 2 329.448 1.338 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CCN(c3ccsc3C#N)CC2)nc[nH+]1 ZINC000596353413 449480413 /nfs/dbraw/zinc/48/04/13/449480413.db2.gz YESGBHQOVAZLAC-GFCCVEGCSA-N 1 2 344.444 1.529 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CCN(c3ccsc3C#N)CC2)[nH+]cn1 ZINC000596353413 449480416 /nfs/dbraw/zinc/48/04/16/449480416.db2.gz YESGBHQOVAZLAC-GFCCVEGCSA-N 1 2 344.444 1.529 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)NCCOc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000596408301 449491606 /nfs/dbraw/zinc/49/16/06/449491606.db2.gz JPUXRVLADURPDR-GJZGRUSLSA-N 1 2 346.431 1.345 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)NCCOc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000596408301 449491610 /nfs/dbraw/zinc/49/16/10/449491610.db2.gz JPUXRVLADURPDR-GJZGRUSLSA-N 1 2 346.431 1.345 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598645094 449515151 /nfs/dbraw/zinc/51/51/51/449515151.db2.gz YZZRXWFOIDODAC-RDJZCZTQSA-N 1 2 349.456 1.300 20 30 EDEDLO COc1nc(C)cc(C)c1C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000598650149 449519483 /nfs/dbraw/zinc/51/94/83/449519483.db2.gz RLOITQGILSLFMZ-SFHVURJKSA-N 1 2 330.432 1.947 20 30 EDEDLO COc1nc(C)cc(C)c1C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000598650149 449519493 /nfs/dbraw/zinc/51/94/93/449519493.db2.gz RLOITQGILSLFMZ-SFHVURJKSA-N 1 2 330.432 1.947 20 30 EDEDLO N#C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCO1 ZINC000602402731 449568562 /nfs/dbraw/zinc/56/85/62/449568562.db2.gz UPSXPYVEZBFZTO-CQSZACIVSA-N 1 2 347.444 1.069 20 30 EDEDLO Cc1ccnc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c1C#N ZINC000612079469 449555172 /nfs/dbraw/zinc/55/51/72/449555172.db2.gz SKVRQLYOHGYYFO-HNNXBMFYSA-N 1 2 341.459 1.831 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cc4c(cn3)OCCO4)CC2)nc1 ZINC000602442207 449590178 /nfs/dbraw/zinc/59/01/78/449590178.db2.gz UVOPCAACAHJYIR-UHFFFAOYSA-N 1 2 337.383 1.442 20 30 EDEDLO N#Cc1ccc(N2CCN(Cc3cc4c(c[nH+]3)OCCO4)CC2)nc1 ZINC000602442207 449590184 /nfs/dbraw/zinc/59/01/84/449590184.db2.gz UVOPCAACAHJYIR-UHFFFAOYSA-N 1 2 337.383 1.442 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1cccc(C#N)n1 ZINC000602477245 449622711 /nfs/dbraw/zinc/62/27/11/449622711.db2.gz ZSKYOKYGSVGTSS-SFHVURJKSA-N 1 2 346.394 1.583 20 30 EDEDLO COC(=O)[C@H]1CCC[N@H+](Cc2cn(Cc3cccc(C#N)c3)nn2)C1 ZINC000600972297 449626309 /nfs/dbraw/zinc/62/63/09/449626309.db2.gz FBHTXGKBUJDLLG-INIZCTEOSA-N 1 2 339.399 1.583 20 30 EDEDLO COC(=O)[C@H]1CCC[N@@H+](Cc2cn(Cc3cccc(C#N)c3)nn2)C1 ZINC000600972297 449626312 /nfs/dbraw/zinc/62/63/12/449626312.db2.gz FBHTXGKBUJDLLG-INIZCTEOSA-N 1 2 339.399 1.583 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(F)c1N ZINC000602484641 449626738 /nfs/dbraw/zinc/62/67/38/449626738.db2.gz LELLVWLEXXZPAQ-GFCCVEGCSA-N 1 2 326.379 1.780 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(F)c1N ZINC000602484641 449626741 /nfs/dbraw/zinc/62/67/41/449626741.db2.gz LELLVWLEXXZPAQ-GFCCVEGCSA-N 1 2 326.379 1.780 20 30 EDEDLO COc1ccnc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1F ZINC000594730115 449653882 /nfs/dbraw/zinc/65/38/82/449653882.db2.gz BGAYAULQJFGZMU-UHFFFAOYSA-N 1 2 349.387 1.664 20 30 EDEDLO C[C@H](CC1(C#N)CCOCC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000602578445 449684572 /nfs/dbraw/zinc/68/45/72/449684572.db2.gz USVWXALVSJTPQR-MRXNPFEDSA-N 1 2 347.463 1.726 20 30 EDEDLO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000594790628 449700796 /nfs/dbraw/zinc/70/07/96/449700796.db2.gz VISAHFOLRDJYFC-LLVKDONJSA-N 1 2 343.399 1.988 20 30 EDEDLO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000594790628 449700800 /nfs/dbraw/zinc/70/08/00/449700800.db2.gz VISAHFOLRDJYFC-LLVKDONJSA-N 1 2 343.399 1.988 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3cnc(C)nc3C)CC2)c1C#N ZINC000602630913 449716901 /nfs/dbraw/zinc/71/69/01/449716901.db2.gz PBQKRBURAUXXPM-AWEZNQCLSA-N 1 2 339.447 1.890 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601239148 449767518 /nfs/dbraw/zinc/76/75/18/449767518.db2.gz FQJLJXBNYUCQJT-UHFFFAOYSA-N 1 2 341.440 1.775 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)nn1 ZINC000597118483 449824797 /nfs/dbraw/zinc/82/47/97/449824797.db2.gz WTBDBBWTFQMTMA-UHFFFAOYSA-N 1 2 327.348 1.929 20 30 EDEDLO CCN(Cc1ccccc1)C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602855779 449862487 /nfs/dbraw/zinc/86/24/87/449862487.db2.gz IKDCKPGIOLFANH-IAGOWNOFSA-N 1 2 328.460 1.953 20 30 EDEDLO C=CCCSCCNC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000597188260 449863578 /nfs/dbraw/zinc/86/35/78/449863578.db2.gz RZQNOTMMPNOMPV-UHFFFAOYSA-N 1 2 336.461 1.189 20 30 EDEDLO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857138 449866540 /nfs/dbraw/zinc/86/65/40/449866540.db2.gz OWGAGQYFYOSJIZ-ZNMIVQPWSA-N 1 2 332.452 1.709 20 30 EDEDLO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857138 449866542 /nfs/dbraw/zinc/86/65/42/449866542.db2.gz OWGAGQYFYOSJIZ-ZNMIVQPWSA-N 1 2 332.452 1.709 20 30 EDEDLO Cc1ccc(CN(C(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)C2CC2)o1 ZINC000602860504 449868798 /nfs/dbraw/zinc/86/87/98/449868798.db2.gz IXIHCMNDIXTMNY-HUUCEWRRSA-N 1 2 344.459 1.997 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000614923526 449878606 /nfs/dbraw/zinc/87/86/06/449878606.db2.gz BDGMWGKIAAFTSI-ZWNOBZJWSA-N 1 2 337.342 1.430 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000614923526 449878612 /nfs/dbraw/zinc/87/86/12/449878612.db2.gz BDGMWGKIAAFTSI-ZWNOBZJWSA-N 1 2 337.342 1.430 20 30 EDEDLO C[C@]1(C#N)CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000595184453 449929807 /nfs/dbraw/zinc/92/98/07/449929807.db2.gz UVRSNRNTMMCUPT-LJQANCHMSA-N 1 2 340.427 1.093 20 30 EDEDLO N#Cc1ccc(CNC(=O)NCC2([NH+]3CCOCC3)CC2)c(F)c1 ZINC000617952632 449947522 /nfs/dbraw/zinc/94/75/22/449947522.db2.gz FLWSHPBAMVTDHM-UHFFFAOYSA-N 1 2 332.379 1.361 20 30 EDEDLO CN(CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602980039 449977912 /nfs/dbraw/zinc/97/79/12/449977912.db2.gz KTLMIULHHYIUMZ-RDJZCZTQSA-N 1 2 330.432 1.548 20 30 EDEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2cnccn2)CC1 ZINC000595293923 450007942 /nfs/dbraw/zinc/00/79/42/450007942.db2.gz CSIBWEYZNRUCGO-UHFFFAOYSA-N 1 2 336.399 1.499 20 30 EDEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2cnccn2)CC1 ZINC000595293923 450007947 /nfs/dbraw/zinc/00/79/47/450007947.db2.gz CSIBWEYZNRUCGO-UHFFFAOYSA-N 1 2 336.399 1.499 20 30 EDEDLO CN(C[C@H]1C[N@H+](C)CCO1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000601488585 450009203 /nfs/dbraw/zinc/00/92/03/450009203.db2.gz IMLKLPUUMXGTEJ-CQSZACIVSA-N 1 2 329.466 1.053 20 30 EDEDLO CN(C[C@H]1C[N@@H+](C)CCO1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000601488585 450009205 /nfs/dbraw/zinc/00/92/05/450009205.db2.gz IMLKLPUUMXGTEJ-CQSZACIVSA-N 1 2 329.466 1.053 20 30 EDEDLO C[C@@H]1C[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H](C)C1(F)F ZINC000599516252 450037213 /nfs/dbraw/zinc/03/72/13/450037213.db2.gz ZNOGJPPDCYHHEQ-VXGBXAGGSA-N 1 2 343.399 1.950 20 30 EDEDLO N#CCCCCS(=O)(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601517311 450039112 /nfs/dbraw/zinc/03/91/12/450039112.db2.gz FPEWVZVHEYPRAP-UHFFFAOYSA-N 1 2 337.445 1.533 20 30 EDEDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000599562929 450062469 /nfs/dbraw/zinc/06/24/69/450062469.db2.gz KEZIXXXXUOITST-QGZVFWFLSA-N 1 2 342.355 1.372 20 30 EDEDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000599562929 450062474 /nfs/dbraw/zinc/06/24/74/450062474.db2.gz KEZIXXXXUOITST-QGZVFWFLSA-N 1 2 342.355 1.372 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000609631465 450077373 /nfs/dbraw/zinc/07/73/73/450077373.db2.gz HKDBMBSIGBHDRV-PKOBYXMFSA-N 1 2 342.487 1.900 20 30 EDEDLO CCCC(=O)NC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000609671820 450082254 /nfs/dbraw/zinc/08/22/54/450082254.db2.gz RWYUTFDTCIYKKJ-QGZVFWFLSA-N 1 2 328.416 1.465 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000615435361 450096558 /nfs/dbraw/zinc/09/65/58/450096558.db2.gz IWDZWKLOCLLGKA-INIZCTEOSA-N 1 2 329.400 1.447 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000615435361 450096565 /nfs/dbraw/zinc/09/65/65/450096565.db2.gz IWDZWKLOCLLGKA-INIZCTEOSA-N 1 2 329.400 1.447 20 30 EDEDLO Cc1nc(NC(=O)c2ccc3[nH+]ccn3c2)n(-c2ccc(C#N)cc2)n1 ZINC000610110461 450141774 /nfs/dbraw/zinc/14/17/74/450141774.db2.gz YNVQILLAPIHCHB-UHFFFAOYSA-N 1 2 343.350 1.769 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599679965 450147041 /nfs/dbraw/zinc/14/70/41/450147041.db2.gz OGRHFVAAXSVATO-YOEHRIQHSA-N 1 2 343.427 1.767 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599679965 450147046 /nfs/dbraw/zinc/14/70/46/450147046.db2.gz OGRHFVAAXSVATO-YOEHRIQHSA-N 1 2 343.427 1.767 20 30 EDEDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678356 450147099 /nfs/dbraw/zinc/14/70/99/450147099.db2.gz UMOJULCAIMZIHR-LBPRGKRZSA-N 1 2 337.431 1.705 20 30 EDEDLO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678356 450147102 /nfs/dbraw/zinc/14/71/02/450147102.db2.gz UMOJULCAIMZIHR-LBPRGKRZSA-N 1 2 337.431 1.705 20 30 EDEDLO N#Cc1cccc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)n1 ZINC000597622294 450151403 /nfs/dbraw/zinc/15/14/03/450151403.db2.gz SQKTWPIRYMQHLU-UHFFFAOYSA-N 1 2 326.360 1.252 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@](C)(C#N)C3)c[nH+]2)CCO1 ZINC000595454610 450154102 /nfs/dbraw/zinc/15/41/02/450154102.db2.gz JJLIUSKTUPYOLD-RDTXWAMCSA-N 1 2 343.431 1.752 20 30 EDEDLO CC(C)(C#N)CC(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000597680687 450192349 /nfs/dbraw/zinc/19/23/49/450192349.db2.gz ZSTDXCHKJOSQQZ-AWEZNQCLSA-N 1 2 325.478 1.593 20 30 EDEDLO COC(=O)c1ccsc1N1CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1=O ZINC000610480855 450235973 /nfs/dbraw/zinc/23/59/73/450235973.db2.gz NKWKDAOLPQZPPX-DGCLKSJQSA-N 1 2 346.412 1.673 20 30 EDEDLO COC(=O)c1ccsc1N1CC[C@H]([NH2+]C[C@H](C#N)CCC#N)C1=O ZINC000610480854 450236509 /nfs/dbraw/zinc/23/65/09/450236509.db2.gz NKWKDAOLPQZPPX-AAEUAGOBSA-N 1 2 346.412 1.673 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc2c1OCC2 ZINC000599844195 450244403 /nfs/dbraw/zinc/24/44/03/450244403.db2.gz YIOLJDKFAQKBRI-UHFFFAOYSA-N 1 2 344.415 1.701 20 30 EDEDLO Cc1nnc([C@H](C)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)s1 ZINC000625324530 450292142 /nfs/dbraw/zinc/29/21/42/450292142.db2.gz RVDKHYNLFREKFO-NSHDSACASA-N 1 2 340.408 1.797 20 30 EDEDLO C=CCC1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCOCC1 ZINC000619882820 450352800 /nfs/dbraw/zinc/35/28/00/450352800.db2.gz QFEORRFEODTDFX-UHFFFAOYSA-N 1 2 336.476 1.930 20 30 EDEDLO C=CC(C)(C)CCNC(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000627120674 451135517 /nfs/dbraw/zinc/13/55/17/451135517.db2.gz IHMSKASLZPEPGY-UHFFFAOYSA-N 1 2 346.479 1.873 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccccc2OC(F)F)nn1 ZINC000640789047 451583096 /nfs/dbraw/zinc/58/30/96/451583096.db2.gz LNNAHOZMXPBLMR-UHFFFAOYSA-N 1 2 349.341 1.631 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NC[C@H](C)c2ccccc2)nn1 ZINC000640852319 451638798 /nfs/dbraw/zinc/63/87/98/451638798.db2.gz QZDUGPSSZWGHEV-JKSUJKDBSA-N 1 2 339.443 1.872 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cc(C)ccc2OC)nn1 ZINC000640886059 451672999 /nfs/dbraw/zinc/67/29/99/451672999.db2.gz NGZUHMUYOHASAX-CQSZACIVSA-N 1 2 341.415 1.908 20 30 EDEDLO C=CCN1CC[C@@H](n2cc(Cn3c(C)[nH+]c4ccccc43)nn2)C1=O ZINC000641109753 451752332 /nfs/dbraw/zinc/75/23/32/451752332.db2.gz UUEWXOAMMKUXRK-QGZVFWFLSA-N 1 2 336.399 1.944 20 30 EDEDLO C=CCN(CC=C)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637528900 451927928 /nfs/dbraw/zinc/92/79/28/451927928.db2.gz PCLFXTJWHLUJKD-KRWDZBQOSA-N 1 2 330.432 1.666 20 30 EDEDLO C=CCN(CC=C)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637528900 451927931 /nfs/dbraw/zinc/92/79/31/451927931.db2.gz PCLFXTJWHLUJKD-KRWDZBQOSA-N 1 2 330.432 1.666 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000651856272 452123417 /nfs/dbraw/zinc/12/34/17/452123417.db2.gz AJFNDODBXMLPSA-CJNGLKHVSA-N 1 2 342.399 1.670 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656058887 452825281 /nfs/dbraw/zinc/82/52/81/452825281.db2.gz FJHQZNJVJDTVJY-KFWWJZLASA-N 1 2 325.453 1.025 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656058887 452825282 /nfs/dbraw/zinc/82/52/82/452825282.db2.gz FJHQZNJVJDTVJY-KFWWJZLASA-N 1 2 325.453 1.025 20 30 EDEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000646031250 453028602 /nfs/dbraw/zinc/02/86/02/453028602.db2.gz SQNVOGANECFCBU-RDTXWAMCSA-N 1 2 333.432 1.846 20 30 EDEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000646031250 453028608 /nfs/dbraw/zinc/02/86/08/453028608.db2.gz SQNVOGANECFCBU-RDTXWAMCSA-N 1 2 333.432 1.846 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)CN2CCn3c[nH+]cc3C2)c(OC)c1 ZINC000660576540 453414491 /nfs/dbraw/zinc/41/44/91/453414491.db2.gz DCQYBAGTDUVOHL-KRWDZBQOSA-N 1 2 343.427 1.876 20 30 EDEDLO C=CCNc1ncc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000655408343 453510641 /nfs/dbraw/zinc/51/06/41/453510641.db2.gz VJMITAYCPZPWIP-UPJWGTAASA-N 1 2 338.477 1.969 20 30 EDEDLO C=CCNc1ncc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000655408343 453510646 /nfs/dbraw/zinc/51/06/46/453510646.db2.gz VJMITAYCPZPWIP-UPJWGTAASA-N 1 2 338.477 1.969 20 30 EDEDLO C=C(C)Cn1c(COC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000670194580 486658109 /nfs/dbraw/zinc/65/81/09/486658109.db2.gz NPRYSGNLSFIWMM-UHFFFAOYSA-N 1 2 328.420 1.722 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c[nH]nc3C2)c(OC)c1 ZINC000676792598 486876808 /nfs/dbraw/zinc/87/68/08/486876808.db2.gz FEZZHPYXLGCUOR-INIZCTEOSA-N 1 2 343.427 1.945 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3c[nH]nc3C2)c(OC)c1 ZINC000676792598 486876813 /nfs/dbraw/zinc/87/68/13/486876813.db2.gz FEZZHPYXLGCUOR-INIZCTEOSA-N 1 2 343.427 1.945 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000668495278 485805016 /nfs/dbraw/zinc/80/50/16/485805016.db2.gz NKPMNFKHESRACE-CQSZACIVSA-N 1 2 330.432 1.579 20 30 EDEDLO C=CCn1c(COC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000669818122 486462694 /nfs/dbraw/zinc/46/26/94/486462694.db2.gz LPHNDQTZCNUOLQ-UHFFFAOYSA-N 1 2 329.408 1.036 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000174165707 526521640 /nfs/dbraw/zinc/52/16/40/526521640.db2.gz VKDNTPAILQNILX-UHFFFAOYSA-N 1 2 337.493 1.783 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000174165707 526521647 /nfs/dbraw/zinc/52/16/47/526521647.db2.gz VKDNTPAILQNILX-UHFFFAOYSA-N 1 2 337.493 1.783 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000069448907 526539009 /nfs/dbraw/zinc/53/90/09/526539009.db2.gz JLNLBGYAHFMVDO-UHFFFAOYSA-N 1 2 325.815 1.899 20 30 EDEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000190267980 527218996 /nfs/dbraw/zinc/21/89/96/527218996.db2.gz ZWRKYXBBXLHJHY-CYBMUJFWSA-N 1 2 336.395 1.963 20 30 EDEDLO C#Cc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)c1 ZINC000106939805 527456516 /nfs/dbraw/zinc/45/65/16/527456516.db2.gz DBQHWXXQFBCHBL-GOSISDBHSA-N 1 2 326.444 1.912 20 30 EDEDLO CC(C)CN1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000187076202 528006223 /nfs/dbraw/zinc/00/62/23/528006223.db2.gz LWNXEQWNQVMDRO-MRXNPFEDSA-N 1 2 331.416 1.098 20 30 EDEDLO CC(C)CN1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000187076202 528006230 /nfs/dbraw/zinc/00/62/30/528006230.db2.gz LWNXEQWNQVMDRO-MRXNPFEDSA-N 1 2 331.416 1.098 20 30 EDEDLO N#CC(C(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)c1nc2ccccc2s1 ZINC000728913409 578554194 /nfs/dbraw/zinc/55/41/94/578554194.db2.gz AXAINORIYXQEBA-XQQFMLRXSA-N 1 2 326.425 1.624 20 30 EDEDLO N#C[C@@H](C(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)c1nc2ccccc2s1 ZINC000728913409 578554195 /nfs/dbraw/zinc/55/41/95/578554195.db2.gz AXAINORIYXQEBA-XQQFMLRXSA-N 1 2 326.425 1.624 20 30 EDEDLO COc1nc(N)nc(N2CCCC2)c1C=[NH+]Nc1ccc(F)cn1 ZINC000731319470 578673729 /nfs/dbraw/zinc/67/37/29/578673729.db2.gz QRYKVACEHAXSGG-UHFFFAOYSA-N 1 2 331.355 1.648 20 30 EDEDLO CCN(CCC#N)C(=O)COC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000732357575 578707830 /nfs/dbraw/zinc/70/78/30/578707830.db2.gz AQXVSMYSUGIJQG-UHFFFAOYSA-N 1 2 328.372 1.491 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732814240 578731321 /nfs/dbraw/zinc/73/13/21/578731321.db2.gz SOZOBOQSQRBMCR-QWHCGFSZSA-N 1 2 349.397 1.895 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732814240 578731322 /nfs/dbraw/zinc/73/13/22/578731322.db2.gz SOZOBOQSQRBMCR-QWHCGFSZSA-N 1 2 349.397 1.895 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc3cc(OC)c(OC)cc3[nH]2)CC1 ZINC000735659712 578910514 /nfs/dbraw/zinc/91/05/14/578910514.db2.gz YVWAOJRKSUDGMA-UHFFFAOYSA-N 1 2 327.384 1.576 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000739912857 579267023 /nfs/dbraw/zinc/26/70/23/579267023.db2.gz WKOKAOJWHBRNLU-HOTGVXAUSA-N 1 2 330.384 1.857 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000739912857 579267024 /nfs/dbraw/zinc/26/70/24/579267024.db2.gz WKOKAOJWHBRNLU-HOTGVXAUSA-N 1 2 330.384 1.857 20 30 EDEDLO C#CCN(CC)c1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](CC)CC#C)c1 ZINC000747619869 579650926 /nfs/dbraw/zinc/65/09/26/579650926.db2.gz OACGVCJIZCWALF-UHFFFAOYSA-N 1 2 342.399 1.948 20 30 EDEDLO C#CCN(CC)c1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](CC)CC#C)c1 ZINC000747619869 579650927 /nfs/dbraw/zinc/65/09/27/579650927.db2.gz OACGVCJIZCWALF-UHFFFAOYSA-N 1 2 342.399 1.948 20 30 EDEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2nc3[nH][nH]cc-3c(=O)n2)cc1 ZINC000748076709 579668712 /nfs/dbraw/zinc/66/87/12/579668712.db2.gz ZOCAXOFAIOIIRP-UHFFFAOYSA-N 1 2 325.376 1.724 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000749362370 579723090 /nfs/dbraw/zinc/72/30/90/579723090.db2.gz APPKKXUZVAKRDZ-UHFFFAOYSA-N 1 2 344.365 1.932 20 30 EDEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1 ZINC000749790869 579739732 /nfs/dbraw/zinc/73/97/32/579739732.db2.gz ZUJBMOWOZADEEC-GFCCVEGCSA-N 1 2 345.403 1.710 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CSCCS1 ZINC000751807848 579822745 /nfs/dbraw/zinc/82/27/45/579822745.db2.gz MRDSPOVGIKOMSA-CQSZACIVSA-N 1 2 343.518 1.300 20 30 EDEDLO Cc1nonc1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000752721215 579864338 /nfs/dbraw/zinc/86/43/38/579864338.db2.gz ATZSGVUXSZKEOH-UHFFFAOYSA-N 1 2 338.371 1.538 20 30 EDEDLO Cn1c[nH+]cc1CN=Nc1ccc(S(=O)(=O)NC2CCCC2)cn1 ZINC000755636167 579931457 /nfs/dbraw/zinc/93/14/57/579931457.db2.gz NLLSZHXCNNMYQO-UHFFFAOYSA-N 1 2 348.432 1.482 20 30 EDEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cc(Cl)nc(C)n1 ZINC000755746515 579933949 /nfs/dbraw/zinc/93/39/49/579933949.db2.gz ZGXNKPRXKVSHBX-UHFFFAOYSA-N 1 2 349.826 1.763 20 30 EDEDLO C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000759249517 580001832 /nfs/dbraw/zinc/00/18/32/580001832.db2.gz MLMWJLWOPHWLNC-MLGOLLRUSA-N 1 2 345.428 1.490 20 30 EDEDLO C=CC[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccncc1 ZINC000766047392 580157428 /nfs/dbraw/zinc/15/74/28/580157428.db2.gz HFFNUODJCHAEAR-INIZCTEOSA-N 1 2 339.461 1.341 20 30 EDEDLO N#Cc1c2c(cn(C[NH+]3CCC(C4OCCO4)CC3)c1=O)CCC2 ZINC000766635763 580170832 /nfs/dbraw/zinc/17/08/32/580170832.db2.gz BVRYPFLQSQTWEH-UHFFFAOYSA-N 1 2 329.400 1.251 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCO1 ZINC000773245550 580331574 /nfs/dbraw/zinc/33/15/74/580331574.db2.gz KDGAVNUDVXURKL-DOTOQJQBSA-N 1 2 342.374 1.991 20 30 EDEDLO CC(C)C1(O)C[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000773895156 580348740 /nfs/dbraw/zinc/34/87/40/580348740.db2.gz GLZIQEZSCZWYLK-AWEZNQCLSA-N 1 2 336.395 1.926 20 30 EDEDLO C=CCN(C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1)C(C)C ZINC000775156857 580384094 /nfs/dbraw/zinc/38/40/94/580384094.db2.gz HTHBWDFHDCBYLR-UHFFFAOYSA-N 1 2 339.480 1.862 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@H](O)Cc2ccccc2)[C@@H](C#N)C1 ZINC000779346123 580484111 /nfs/dbraw/zinc/48/41/11/580484111.db2.gz VBQFUBWVIIPGAC-BBWFWOEESA-N 1 2 345.443 1.939 20 30 EDEDLO N#Cc1ccc([C@@H](O)C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000780861850 580535367 /nfs/dbraw/zinc/53/53/67/580535367.db2.gz KRGUIVHFVOSUIK-GOSISDBHSA-N 1 2 336.395 1.331 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OCOCC)cc2)CC1 ZINC000783392437 580599237 /nfs/dbraw/zinc/59/92/37/580599237.db2.gz GRNJXLDFVREPKJ-UHFFFAOYSA-N 1 2 347.459 1.479 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc3c(cc2O)OCO3)n1 ZINC000788366136 580718666 /nfs/dbraw/zinc/71/86/66/580718666.db2.gz LUMVTYFHRQCAAG-UHFFFAOYSA-N 1 2 343.383 1.599 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc3c(cc2O)OCO3)n1 ZINC000788366136 580718667 /nfs/dbraw/zinc/71/86/67/580718667.db2.gz LUMVTYFHRQCAAG-UHFFFAOYSA-N 1 2 343.383 1.599 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000792170670 580812275 /nfs/dbraw/zinc/81/22/75/580812275.db2.gz DQAVUDPLUBCHID-UHFFFAOYSA-N 1 2 347.216 1.716 20 30 EDEDLO C#CCNC(=O)C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000792485380 580821039 /nfs/dbraw/zinc/82/10/39/580821039.db2.gz ZALYKENBKGXNJF-UHFFFAOYSA-N 1 2 331.235 1.054 20 30 EDEDLO C#CCNC(=O)C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000792485380 580821040 /nfs/dbraw/zinc/82/10/40/580821040.db2.gz ZALYKENBKGXNJF-UHFFFAOYSA-N 1 2 331.235 1.054 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)OCCc2c[nH+]cn2C)c1 ZINC000793251096 580839410 /nfs/dbraw/zinc/83/94/10/580839410.db2.gz TXSBENAVYAUBMD-UHFFFAOYSA-N 1 2 349.412 1.284 20 30 EDEDLO CO[C@@H](C)C[N@H+](C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000795747443 580936427 /nfs/dbraw/zinc/93/64/27/580936427.db2.gz AQNWPMJKNWOWBX-YVEFUNNKSA-N 1 2 330.388 1.249 20 30 EDEDLO CO[C@@H](C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000795747443 580936428 /nfs/dbraw/zinc/93/64/28/580936428.db2.gz AQNWPMJKNWOWBX-YVEFUNNKSA-N 1 2 330.388 1.249 20 30 EDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000795827443 580938560 /nfs/dbraw/zinc/93/85/60/580938560.db2.gz YYTORISMSYEQIL-KURKYZTESA-N 1 2 339.395 1.647 20 30 EDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000795827443 580938561 /nfs/dbraw/zinc/93/85/61/580938561.db2.gz YYTORISMSYEQIL-KURKYZTESA-N 1 2 339.395 1.647 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(N2CCOCC2)ccc1C ZINC000797783245 580981158 /nfs/dbraw/zinc/98/11/58/580981158.db2.gz HALBVHXGRYVZGM-SFHVURJKSA-N 1 2 327.428 1.868 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(N2CCOCC2)ccc1C ZINC000797783245 580981159 /nfs/dbraw/zinc/98/11/59/580981159.db2.gz HALBVHXGRYVZGM-SFHVURJKSA-N 1 2 327.428 1.868 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cnc3cnccn23)C1 ZINC000798275797 580992913 /nfs/dbraw/zinc/99/29/13/580992913.db2.gz USQZABFIUKJOOH-OCCSQVGLSA-N 1 2 342.403 1.578 20 30 EDEDLO C#CCC[C@@H](O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000798418499 580996844 /nfs/dbraw/zinc/99/68/44/580996844.db2.gz DRWYZQYVBFQUEL-OAHLLOKOSA-N 1 2 326.356 1.968 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1=O ZINC000799026000 581014567 /nfs/dbraw/zinc/01/45/67/581014567.db2.gz CNGYSXZLWLNEGU-CQSZACIVSA-N 1 2 325.372 1.126 20 30 EDEDLO Cc1ccc(OCC(=O)N2CC[NH+](CCO[C@H](C)C#N)CC2)cc1 ZINC000801914744 581087819 /nfs/dbraw/zinc/08/78/19/581087819.db2.gz GBEBFRZVUXAJHX-MRXNPFEDSA-N 1 2 331.416 1.447 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000801913877 581087839 /nfs/dbraw/zinc/08/78/39/581087839.db2.gz AWKGTLLNLXGEQQ-CQSZACIVSA-N 1 2 335.379 1.277 20 30 EDEDLO C#C[C@@H]1CCCCN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000891846990 590651992 /nfs/dbraw/zinc/65/19/92/590651992.db2.gz RULIFMDATDXKSU-MRXNPFEDSA-N 1 2 328.416 1.616 20 30 EDEDLO Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000890884889 590831612 /nfs/dbraw/zinc/83/16/12/590831612.db2.gz AIWUEGFMBZGZKI-INIZCTEOSA-N 1 2 346.460 1.355 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnn(C2CCC2)c1 ZINC000892224549 590872779 /nfs/dbraw/zinc/87/27/79/590872779.db2.gz XCWGPPKUURRTNQ-AWEZNQCLSA-N 1 2 337.431 1.980 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnn(C2CCC2)c1 ZINC000892224549 590872782 /nfs/dbraw/zinc/87/27/82/590872782.db2.gz XCWGPPKUURRTNQ-AWEZNQCLSA-N 1 2 337.431 1.980 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)c2ccc(C#N)c(OC)c2)C[N@@H+]1C ZINC000893570973 590971798 /nfs/dbraw/zinc/97/17/98/590971798.db2.gz ALKFBZPUAHHONQ-CXAGYDPISA-N 1 2 332.356 1.359 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)c2ccc(C#N)c(OC)c2)C[N@H+]1C ZINC000893570973 590971800 /nfs/dbraw/zinc/97/18/00/590971800.db2.gz ALKFBZPUAHHONQ-CXAGYDPISA-N 1 2 332.356 1.359 20 30 EDEDLO Cn1nc2c(c1C[NH+]1CCN(c3cc(C#N)ccn3)CC1)COCC2 ZINC000891558625 591124914 /nfs/dbraw/zinc/12/49/14/591124914.db2.gz RZJFHVXDWTWSLC-UHFFFAOYSA-N 1 2 338.415 1.082 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000891606862 591147334 /nfs/dbraw/zinc/14/73/34/591147334.db2.gz PNEIMVQYGSKPEK-AWEZNQCLSA-N 1 2 344.802 1.364 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000891606862 591147336 /nfs/dbraw/zinc/14/73/36/591147336.db2.gz PNEIMVQYGSKPEK-AWEZNQCLSA-N 1 2 344.802 1.364 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CCC)C1 ZINC000891608508 591148870 /nfs/dbraw/zinc/14/88/70/591148870.db2.gz YJYHNRJHHSUJNF-MRXNPFEDSA-N 1 2 327.428 1.791 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CCC)C1 ZINC000891608508 591148872 /nfs/dbraw/zinc/14/88/72/591148872.db2.gz YJYHNRJHHSUJNF-MRXNPFEDSA-N 1 2 327.428 1.791 20 30 EDEDLO O=C(NCC#C[C@H]1CCCCO1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000891704627 591193001 /nfs/dbraw/zinc/19/30/01/591193001.db2.gz GLDKDTUVMYCUJO-MRXNPFEDSA-N 1 2 339.399 1.639 20 30 EDEDLO CCc1cc(N2CCN(c3nccnc3C#N)C[C@H]2C)nc(CC)[nH+]1 ZINC000892891479 591218745 /nfs/dbraw/zinc/21/87/45/591218745.db2.gz ININNAOBSAVDFL-CYBMUJFWSA-N 1 2 337.431 1.978 20 30 EDEDLO Cc1c(C(=O)NCCc2cn3c([nH+]2)CCCC3)cnn1CCC#N ZINC000895629733 591236189 /nfs/dbraw/zinc/23/61/89/591236189.db2.gz NWAWRCTUHMHYFN-UHFFFAOYSA-N 1 2 326.404 1.611 20 30 EDEDLO C#C[C@H]1CCCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000896042476 591330603 /nfs/dbraw/zinc/33/06/03/591330603.db2.gz YFMQCKBTCBXHTO-ROUUACIJSA-N 1 2 342.443 1.480 20 30 EDEDLO C#C[C@H]1CCCCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000896042476 591330607 /nfs/dbraw/zinc/33/06/07/591330607.db2.gz YFMQCKBTCBXHTO-ROUUACIJSA-N 1 2 342.443 1.480 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000898537068 591397212 /nfs/dbraw/zinc/39/72/12/591397212.db2.gz WJUYGHDSPXISOL-MRXNPFEDSA-N 1 2 326.400 1.775 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cncs3)CC2)c1[N+](=O)[O-] ZINC000894849416 591443885 /nfs/dbraw/zinc/44/38/85/591443885.db2.gz XDBQDNAOAATGJT-UHFFFAOYSA-N 1 2 330.373 1.640 20 30 EDEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)n1 ZINC000896742171 591599127 /nfs/dbraw/zinc/59/91/27/591599127.db2.gz HQNLANVBELFMRM-UHFFFAOYSA-N 1 2 334.383 1.857 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@]2(CCCOC2)C1=O ZINC000902086939 591915679 /nfs/dbraw/zinc/91/56/79/591915679.db2.gz YVMISKPUMNZDLK-LJQANCHMSA-N 1 2 343.427 1.603 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@]2(CCCOC2)C1=O ZINC000902086939 591915682 /nfs/dbraw/zinc/91/56/82/591915682.db2.gz YVMISKPUMNZDLK-LJQANCHMSA-N 1 2 343.427 1.603 20 30 EDEDLO NC(=NOCc1nncs1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902225725 591949181 /nfs/dbraw/zinc/94/91/81/591949181.db2.gz IEYFAFMPKPZKRQ-UHFFFAOYSA-N 1 2 333.417 1.207 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)CC1 ZINC000900650710 592080722 /nfs/dbraw/zinc/08/07/22/592080722.db2.gz HPXSYUPCKJSMKC-HJWRWDBZSA-N 1 2 330.428 1.915 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000900855848 592148306 /nfs/dbraw/zinc/14/83/06/592148306.db2.gz WQDJDDHLFIFQEM-DKRLNXSXSA-N 1 2 328.412 1.667 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1CC[C@H](C(N)=O)[N@@H+]1Cc1ccccc1 ZINC000907964020 592236848 /nfs/dbraw/zinc/23/68/48/592236848.db2.gz ZBWNSZPZZCILDC-ZACQAIPSSA-N 1 2 329.444 1.976 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)[C@@H]1CC[C@H](C(N)=O)[N@H+]1Cc1ccccc1 ZINC000907964020 592236853 /nfs/dbraw/zinc/23/68/53/592236853.db2.gz ZBWNSZPZZCILDC-ZACQAIPSSA-N 1 2 329.444 1.976 20 30 EDEDLO C#CCN[NH+]=Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000901249871 592304242 /nfs/dbraw/zinc/30/42/42/592304242.db2.gz JSWPAWAGANNKPM-UHFFFAOYSA-N 1 2 332.404 1.893 20 30 EDEDLO CCn1ncc(/C=C\C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)n1 ZINC000901438192 592363599 /nfs/dbraw/zinc/36/35/99/592363599.db2.gz LXSSMQXZWJPUEC-XQRVVYSFSA-N 1 2 342.399 1.732 20 30 EDEDLO Cn1cncc1/C=C1\CN(CC2CC2)C/C(=C\c2c[nH+]cn2C)C1=O ZINC000901468020 592371430 /nfs/dbraw/zinc/37/14/30/592371430.db2.gz WGFHZBZWTILNLH-IAGONARPSA-N 1 2 337.427 1.915 20 30 EDEDLO Cn1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1-c1ccc(F)cc1 ZINC000905494883 592553082 /nfs/dbraw/zinc/55/30/82/592553082.db2.gz FZQIQAHNVOVCQF-KRWDZBQOSA-N 1 2 329.379 1.800 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)F ZINC000905496373 592553506 /nfs/dbraw/zinc/55/35/06/592553506.db2.gz RXSYQLANSOKEDC-SUYBPPKGSA-N 1 2 337.370 1.831 20 30 EDEDLO C=CCn1c(C2CCOCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000908673168 592576375 /nfs/dbraw/zinc/57/63/75/592576375.db2.gz ZUSQXUABWBLVRE-UHFFFAOYSA-N 1 2 335.452 1.127 20 30 EDEDLO C#CC[N@H+](CN1C(=O)C(=O)N([C@@H](C)c2ccccc2)C1=O)C(C)C ZINC000905743702 592634720 /nfs/dbraw/zinc/63/47/20/592634720.db2.gz ZFYPGXGMOPTMHV-AWEZNQCLSA-N 1 2 327.384 1.840 20 30 EDEDLO C#CC[N@@H+](CN1C(=O)C(=O)N([C@@H](C)c2ccccc2)C1=O)C(C)C ZINC000905743702 592634721 /nfs/dbraw/zinc/63/47/21/592634721.db2.gz ZFYPGXGMOPTMHV-AWEZNQCLSA-N 1 2 327.384 1.840 20 30 EDEDLO N#Cc1sccc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000905915289 592681164 /nfs/dbraw/zinc/68/11/64/592681164.db2.gz PXLSYUSIXNLHIG-UHFFFAOYSA-N 1 2 328.397 1.781 20 30 EDEDLO CC(=O)CCn1cc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)nn1 ZINC000906313773 592792842 /nfs/dbraw/zinc/79/28/42/592792842.db2.gz QWNXIAQRGFAKJY-QGZVFWFLSA-N 1 2 327.388 1.294 20 30 EDEDLO CC(=O)CCn1cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)nn1 ZINC000906313773 592792844 /nfs/dbraw/zinc/79/28/44/592792844.db2.gz QWNXIAQRGFAKJY-QGZVFWFLSA-N 1 2 327.388 1.294 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](C(=O)OCC[NH+]3CCOCC3)C2)c(F)c1 ZINC000805589888 593110018 /nfs/dbraw/zinc/11/00/18/593110018.db2.gz OZDCQTUEFKCMIJ-HNNXBMFYSA-N 1 2 347.390 1.399 20 30 EDEDLO CON(C)C(=O)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000839018446 593252890 /nfs/dbraw/zinc/25/28/90/593252890.db2.gz OKBOEXONDWLTAM-UHFFFAOYSA-N 1 2 332.360 1.698 20 30 EDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000839501080 593311990 /nfs/dbraw/zinc/31/19/90/593311990.db2.gz UHPQCLYWUUMSLL-HOTGVXAUSA-N 1 2 326.396 1.242 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000810033097 593376655 /nfs/dbraw/zinc/37/66/55/593376655.db2.gz YNDXVLLXNXKQJG-UHFFFAOYSA-N 1 2 326.337 1.907 20 30 EDEDLO C#CCC(CC#C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000806464408 593447516 /nfs/dbraw/zinc/44/75/16/593447516.db2.gz GENPKXZSBADJJK-HOTGVXAUSA-N 1 2 339.439 1.974 20 30 EDEDLO N#Cc1csc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)n1 ZINC000811500472 593472243 /nfs/dbraw/zinc/47/22/43/593472243.db2.gz DKLNBNQAWABXCR-UHFFFAOYSA-N 1 2 332.351 1.905 20 30 EDEDLO COc1ccc(NC(=S)NN=Cc2c[nH+]c(N(C)C)n2C)cn1 ZINC000811641790 593475457 /nfs/dbraw/zinc/47/54/57/593475457.db2.gz QMDZMGLRWTUHGQ-UHFFFAOYSA-N 1 2 333.421 1.210 20 30 EDEDLO COc1ccc(NC(=S)N[NH+]=Cc2cnc(N(C)C)n2C)cn1 ZINC000811641790 593475458 /nfs/dbraw/zinc/47/54/58/593475458.db2.gz QMDZMGLRWTUHGQ-UHFFFAOYSA-N 1 2 333.421 1.210 20 30 EDEDLO C#C[C@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)C(C)C ZINC000812039776 593489085 /nfs/dbraw/zinc/48/90/85/593489085.db2.gz VITSLCIVESWXNM-MOPGFXCFSA-N 1 2 343.471 1.887 20 30 EDEDLO O=C(NO)c1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000816403306 593522623 /nfs/dbraw/zinc/52/26/23/593522623.db2.gz ABRRWRRRIBZTDG-INIZCTEOSA-N 1 2 347.415 1.065 20 30 EDEDLO O=C(NO)c1ccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000816403306 593522624 /nfs/dbraw/zinc/52/26/24/593522624.db2.gz ABRRWRRRIBZTDG-INIZCTEOSA-N 1 2 347.415 1.065 20 30 EDEDLO Cn1c2ccc(C[NH+]3CCN(c4ncccc4C#N)CC3)cc2oc1=O ZINC000816483355 593526570 /nfs/dbraw/zinc/52/65/70/593526570.db2.gz PHKYUNGRBRQKNF-UHFFFAOYSA-N 1 2 349.394 1.720 20 30 EDEDLO Nc1nc(Cl)c(C=[NH+]OCCC2CC2)c(N2CCOCC2)n1 ZINC000814245609 593580090 /nfs/dbraw/zinc/58/00/90/593580090.db2.gz ZQOFNMVLXIQSFE-UHFFFAOYSA-N 1 2 325.800 1.699 20 30 EDEDLO C[C@H](C=NNC(=S)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000814716771 593601045 /nfs/dbraw/zinc/60/10/45/593601045.db2.gz RFPLLVQARWNWBZ-CQSZACIVSA-N 1 2 326.510 1.985 20 30 EDEDLO CC(C)OC[C@H](O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000819230763 593745707 /nfs/dbraw/zinc/74/57/07/593745707.db2.gz YROQYEJFSAQSHJ-MJBXVCDLSA-N 1 2 327.425 1.121 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(F)cc(C)cc2F)CC1 ZINC000819862773 593772303 /nfs/dbraw/zinc/77/23/03/593772303.db2.gz HAGULPIOQWLPBP-UHFFFAOYSA-N 1 2 328.384 1.603 20 30 EDEDLO C[C@H](NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000823787148 593859050 /nfs/dbraw/zinc/85/90/50/593859050.db2.gz LPIKVGCIAOMECY-WFASDCNBSA-N 1 2 327.388 1.728 20 30 EDEDLO C[C@H](NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000823787147 593859215 /nfs/dbraw/zinc/85/92/15/593859215.db2.gz LPIKVGCIAOMECY-SWLSCSKDSA-N 1 2 327.388 1.728 20 30 EDEDLO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824779580 594073380 /nfs/dbraw/zinc/07/33/80/594073380.db2.gz WFJHLTCYDGNZHZ-RHSMWYFYSA-N 1 2 342.403 1.232 20 30 EDEDLO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824779580 594073381 /nfs/dbraw/zinc/07/33/81/594073381.db2.gz WFJHLTCYDGNZHZ-RHSMWYFYSA-N 1 2 342.403 1.232 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cc(C#N)ccc2F)no1 ZINC000825297530 594162904 /nfs/dbraw/zinc/16/29/04/594162904.db2.gz HOSOVMILUVCLGR-UHFFFAOYSA-N 1 2 331.351 1.807 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000825619719 594207833 /nfs/dbraw/zinc/20/78/33/594207833.db2.gz RZANIXUVYJBXLO-MRXNPFEDSA-N 1 2 342.443 1.863 20 30 EDEDLO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccc(C#N)cc1 ZINC000826159001 594353672 /nfs/dbraw/zinc/35/36/72/594353672.db2.gz MAKYOTOUHGVLPJ-UHFFFAOYSA-N 1 2 338.371 1.980 20 30 EDEDLO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccc(C#N)cc1 ZINC000826159001 594353675 /nfs/dbraw/zinc/35/36/75/594353675.db2.gz MAKYOTOUHGVLPJ-UHFFFAOYSA-N 1 2 338.371 1.980 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2C(C)C)CC1 ZINC000826555050 594524263 /nfs/dbraw/zinc/52/42/63/594524263.db2.gz PKDHNZSASGOARI-UHFFFAOYSA-N 1 2 341.455 1.707 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2C(C)C)CC1 ZINC000826555050 594524264 /nfs/dbraw/zinc/52/42/64/594524264.db2.gz PKDHNZSASGOARI-UHFFFAOYSA-N 1 2 341.455 1.707 20 30 EDEDLO CO[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C[C@H]1O ZINC000832001729 594718299 /nfs/dbraw/zinc/71/82/99/594718299.db2.gz UPZRJRXHNBZJJX-IAGOWNOFSA-N 1 2 331.416 1.242 20 30 EDEDLO CO[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C[C@H]1O ZINC000832001729 594718300 /nfs/dbraw/zinc/71/83/00/594718300.db2.gz UPZRJRXHNBZJJX-IAGOWNOFSA-N 1 2 331.416 1.242 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccc(C2CC2)cc1 ZINC000841606849 594928404 /nfs/dbraw/zinc/92/84/04/594928404.db2.gz MJIZRPQZWPOIPW-UHFFFAOYSA-N 1 2 332.473 1.694 20 30 EDEDLO OC[C@@H]1CCCN1N=Cc1ccc(C=[NH+]N2CCC[C@H]2CO)cc1 ZINC000841659947 594931890 /nfs/dbraw/zinc/93/18/90/594931890.db2.gz AMVYKPJZJNOPCS-ROUUACIJSA-N 1 2 330.432 1.268 20 30 EDEDLO N#CCOc1cc(F)ccc1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836455946 594964902 /nfs/dbraw/zinc/96/49/02/594964902.db2.gz FICOMWCSUUHEOV-OKILXGFUSA-N 1 2 348.378 1.713 20 30 EDEDLO N#CCOc1cc(F)ccc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836455946 594964903 /nfs/dbraw/zinc/96/49/03/594964903.db2.gz FICOMWCSUUHEOV-OKILXGFUSA-N 1 2 348.378 1.713 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(Cc3cnc4c(C#N)cnn4c3)CC2)S1 ZINC000843395857 595099467 /nfs/dbraw/zinc/09/94/67/595099467.db2.gz RPSHXDURGQUTCM-LBPRGKRZSA-N 1 2 341.444 1.210 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc([C@H]3CCOC3)cc2)CC1 ZINC000834612049 595174760 /nfs/dbraw/zinc/17/47/60/595174760.db2.gz PYPCTFYQBAIDSN-KRWDZBQOSA-N 1 2 327.428 1.380 20 30 EDEDLO CN(C)[C@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)c1c[nH+]cn1C ZINC000846328647 595207422 /nfs/dbraw/zinc/20/74/22/595207422.db2.gz JIAVJMPYLXNRGE-IRXDYDNUSA-N 1 2 341.415 1.086 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc2[nH]c1=S ZINC000834820994 595222788 /nfs/dbraw/zinc/22/27/88/595222788.db2.gz HWEGKPLSWSZOKS-VHSXEESVSA-N 1 2 332.429 1.337 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)NCc1cccs1 ZINC000844027028 595250275 /nfs/dbraw/zinc/25/02/75/595250275.db2.gz YHNYXUXOXUJREX-GJZGRUSLSA-N 1 2 333.457 1.357 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)C(=O)NCc1cccs1 ZINC000844027028 595250278 /nfs/dbraw/zinc/25/02/78/595250278.db2.gz YHNYXUXOXUJREX-GJZGRUSLSA-N 1 2 333.457 1.357 20 30 EDEDLO C[C@H](c1nc(N)nc(Cl)n1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371668 595332635 /nfs/dbraw/zinc/33/26/35/595332635.db2.gz PZIOTTOQHNQHHR-BXKDBHETSA-N 1 2 332.795 1.705 20 30 EDEDLO C[C@H](c1nc(N)nc(Cl)n1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371668 595332638 /nfs/dbraw/zinc/33/26/38/595332638.db2.gz PZIOTTOQHNQHHR-BXKDBHETSA-N 1 2 332.795 1.705 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000847265152 595381796 /nfs/dbraw/zinc/38/17/96/595381796.db2.gz WJYPEUVTSOHQJQ-HKUYNNGSSA-N 1 2 341.455 1.942 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000847265152 595381799 /nfs/dbraw/zinc/38/17/99/595381799.db2.gz WJYPEUVTSOHQJQ-HKUYNNGSSA-N 1 2 341.455 1.942 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000847281997 595387274 /nfs/dbraw/zinc/38/72/74/595387274.db2.gz OXEMHWMYWLGFDJ-HNNXBMFYSA-N 1 2 328.416 1.473 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000848493940 595395380 /nfs/dbraw/zinc/39/53/80/595395380.db2.gz SCDCQEGMPBTHIQ-GFCCVEGCSA-N 1 2 331.397 1.342 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000848493940 595395382 /nfs/dbraw/zinc/39/53/82/595395382.db2.gz SCDCQEGMPBTHIQ-GFCCVEGCSA-N 1 2 331.397 1.342 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(F)c(Br)c2)CC1 ZINC000847416534 595414472 /nfs/dbraw/zinc/41/44/72/595414472.db2.gz NFZJWLSVSUBLDT-UHFFFAOYSA-N 1 2 340.196 1.764 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CCCN2C(=O)OC(C)(C)C)nn1 ZINC000849136295 595485444 /nfs/dbraw/zinc/48/54/44/595485444.db2.gz BWRBGCMUGSOSQE-OAHLLOKOSA-N 1 2 333.436 1.791 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)c(N(C)C)[nH+]1 ZINC000850541551 595532138 /nfs/dbraw/zinc/53/21/38/595532138.db2.gz XSIQQLXZCJBQJX-ZDUSSCGKSA-N 1 2 329.404 1.547 20 30 EDEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857942877 595660819 /nfs/dbraw/zinc/66/08/19/595660819.db2.gz BEPOCPOTQXSFDD-SJCJKPOMSA-N 1 2 332.404 1.576 20 30 EDEDLO Cc1ccc(O[C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)nc1 ZINC000858043521 595688835 /nfs/dbraw/zinc/68/88/35/595688835.db2.gz XFGKBAHTVMZTHJ-AEFFLSMTSA-N 1 2 336.395 1.941 20 30 EDEDLO Cc1ccc(O[C@@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)nc1 ZINC000858043521 595688837 /nfs/dbraw/zinc/68/88/37/595688837.db2.gz XFGKBAHTVMZTHJ-AEFFLSMTSA-N 1 2 336.395 1.941 20 30 EDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000853526352 595785544 /nfs/dbraw/zinc/78/55/44/595785544.db2.gz PREHBBOSIZPFIE-HNNXBMFYSA-N 1 2 340.383 1.561 20 30 EDEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000853526352 595785547 /nfs/dbraw/zinc/78/55/47/595785547.db2.gz PREHBBOSIZPFIE-HNNXBMFYSA-N 1 2 340.383 1.561 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000853545027 595794321 /nfs/dbraw/zinc/79/43/21/595794321.db2.gz OREGGUDPNBERNA-SJORKVTESA-N 1 2 348.443 1.724 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000859031855 595956956 /nfs/dbraw/zinc/95/69/56/595956956.db2.gz YSGDIWQVZLLRBL-WBVHZDCISA-N 1 2 330.432 1.508 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)CC1 ZINC000859357438 596062542 /nfs/dbraw/zinc/06/25/42/596062542.db2.gz PPFYRNCWWUYHIU-GFCCVEGCSA-N 1 2 340.349 1.557 20 30 EDEDLO C#CC[C@H](CCOC)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000859424975 596090317 /nfs/dbraw/zinc/09/03/17/596090317.db2.gz XKKWPCHEQBTUNP-MRXNPFEDSA-N 1 2 347.440 1.638 20 30 EDEDLO C#C[C@H](NC(=O)NCCc1cn2c(cccc2C)[nH+]1)C1CCOCC1 ZINC000852395766 596146105 /nfs/dbraw/zinc/14/61/05/596146105.db2.gz DLXWFTXIFNRJNI-KRWDZBQOSA-N 1 2 340.427 1.913 20 30 EDEDLO COC(=O)c1cc(C=NNCCCn2cc[nH+]c2)n2c1CCCC2 ZINC000857211821 596186649 /nfs/dbraw/zinc/18/66/49/596186649.db2.gz YLJVFIBYRQFYQS-UHFFFAOYSA-N 1 2 329.404 1.821 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852736462 596236333 /nfs/dbraw/zinc/23/63/33/596236333.db2.gz YCQZXOSYHYMCBY-JHJVBQTASA-N 1 2 327.400 1.061 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852736462 596236335 /nfs/dbraw/zinc/23/63/35/596236335.db2.gz YCQZXOSYHYMCBY-JHJVBQTASA-N 1 2 327.400 1.061 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000852738932 596236475 /nfs/dbraw/zinc/23/64/75/596236475.db2.gz DXHQEOBDOXBTRR-MCIONIFRSA-N 1 2 341.427 1.710 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000852738932 596236476 /nfs/dbraw/zinc/23/64/76/596236476.db2.gz DXHQEOBDOXBTRR-MCIONIFRSA-N 1 2 341.427 1.710 20 30 EDEDLO N#C[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCOC1 ZINC000864573889 596269438 /nfs/dbraw/zinc/26/94/38/596269438.db2.gz TXUWQZRGLXMBRZ-IBGZPJMESA-N 1 2 343.427 1.455 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@]1(C#N)CCCOC1 ZINC000866792687 596348827 /nfs/dbraw/zinc/34/88/27/596348827.db2.gz ISDMNJQMZIHIET-KRWDZBQOSA-N 1 2 330.388 1.486 20 30 EDEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869148894 596424767 /nfs/dbraw/zinc/42/47/67/596424767.db2.gz MSASQNYPYSQHIW-NSCUHMNNSA-N 1 2 325.372 1.570 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc3c(C#N)c[nH]c3c2)[C@@H](C)CO1 ZINC000869241517 596458419 /nfs/dbraw/zinc/45/84/19/596458419.db2.gz HNPWATLQNDEICJ-STQMWFEESA-N 1 2 326.400 1.879 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc3c(C#N)c[nH]c3c2)[C@@H](C)CO1 ZINC000869241517 596458422 /nfs/dbraw/zinc/45/84/22/596458422.db2.gz HNPWATLQNDEICJ-STQMWFEESA-N 1 2 326.400 1.879 20 30 EDEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CCCCC1 ZINC000867711167 596509215 /nfs/dbraw/zinc/50/92/15/596509215.db2.gz OPLYZIHMPDTXLI-CQSZACIVSA-N 1 2 331.457 1.814 20 30 EDEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCC[N@H+](CCF)C2)CCCCC1 ZINC000867711167 596509218 /nfs/dbraw/zinc/50/92/18/596509218.db2.gz OPLYZIHMPDTXLI-CQSZACIVSA-N 1 2 331.457 1.814 20 30 EDEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867713633 596510756 /nfs/dbraw/zinc/51/07/56/596510756.db2.gz RQKFEAGDVGXFHW-HNNXBMFYSA-N 1 2 343.399 1.551 20 30 EDEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867713633 596510758 /nfs/dbraw/zinc/51/07/58/596510758.db2.gz RQKFEAGDVGXFHW-HNNXBMFYSA-N 1 2 343.399 1.551 20 30 EDEDLO N#Cc1ccc(-c2ccn(C[NH+]3CCN(c4nccnn4)CC3)n2)cc1 ZINC000863271519 596535539 /nfs/dbraw/zinc/53/55/39/596535539.db2.gz MQGGWELALIABKT-UHFFFAOYSA-N 1 2 346.398 1.386 20 30 EDEDLO C=CCN1CC(=O)N(C[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)C1=O ZINC000865330706 596542312 /nfs/dbraw/zinc/54/23/12/596542312.db2.gz HJRIKWNHMINXHB-QGZVFWFLSA-N 1 2 343.427 1.646 20 30 EDEDLO C=CCN1CC(=O)N(C[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)C1=O ZINC000865330706 596542316 /nfs/dbraw/zinc/54/23/16/596542316.db2.gz HJRIKWNHMINXHB-QGZVFWFLSA-N 1 2 343.427 1.646 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)C1=O ZINC000865331070 596542409 /nfs/dbraw/zinc/54/24/09/596542409.db2.gz OSHLEVBYQGOPNY-SJORKVTESA-N 1 2 341.411 1.140 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)C1=O ZINC000865331070 596542410 /nfs/dbraw/zinc/54/24/10/596542410.db2.gz OSHLEVBYQGOPNY-SJORKVTESA-N 1 2 341.411 1.140 20 30 EDEDLO C#CCOCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000119746513 596734197 /nfs/dbraw/zinc/73/41/97/596734197.db2.gz OEAWYOLEYUDSKD-GJZGRUSLSA-N 1 2 331.416 1.351 20 30 EDEDLO C[C@](O)(C[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C1CC1 ZINC000863968490 596737112 /nfs/dbraw/zinc/73/71/12/596737112.db2.gz JBVULCPLRLGZSA-FHWLQOOXSA-N 1 2 330.428 1.844 20 30 EDEDLO C[C@](O)(C[C@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C1CC1 ZINC000863968490 596737115 /nfs/dbraw/zinc/73/71/15/596737115.db2.gz JBVULCPLRLGZSA-FHWLQOOXSA-N 1 2 330.428 1.844 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000868275734 596759771 /nfs/dbraw/zinc/75/97/71/596759771.db2.gz UHELYXPFUAUSDC-XJKSGUPXSA-N 1 2 338.411 1.975 20 30 EDEDLO C[C@H](O)CNc1cc(N2CCN(c3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000866210940 596829249 /nfs/dbraw/zinc/82/92/49/596829249.db2.gz DXPHVIGMOQRTGG-AWEZNQCLSA-N 1 2 338.415 1.468 20 30 EDEDLO C[C@H](O)CNc1cc(N2CCN(c3ccc(C#N)cc3)CC2)[nH+]cn1 ZINC000866210940 596829252 /nfs/dbraw/zinc/82/92/52/596829252.db2.gz DXPHVIGMOQRTGG-AWEZNQCLSA-N 1 2 338.415 1.468 20 30 EDEDLO COc1ccc2c(c1)CCC2=NNC(=S)NCC[NH+]1CCOCC1 ZINC000872329376 596881970 /nfs/dbraw/zinc/88/19/70/596881970.db2.gz OYLFEPYYFWETSB-UHFFFAOYSA-N 1 2 348.472 1.142 20 30 EDEDLO c1cnnc(N=NCc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC000872352953 596884182 /nfs/dbraw/zinc/88/41/82/596884182.db2.gz ODNHPTCVUODKMS-UHFFFAOYSA-N 1 2 327.388 1.634 20 30 EDEDLO C#C[C@H](NC(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@H]2C1)C(C)C ZINC000875594919 596909740 /nfs/dbraw/zinc/90/97/40/596909740.db2.gz UGDWEXOQTHSKAF-BBWFWOEESA-N 1 2 342.443 1.858 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@H+]2CCOC[C@@H]2CC)cc1 ZINC000875641738 596930404 /nfs/dbraw/zinc/93/04/04/596930404.db2.gz GNAVDUHXJFBHAN-KRWDZBQOSA-N 1 2 345.443 1.609 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@@H+]2CCOC[C@@H]2CC)cc1 ZINC000875641738 596930407 /nfs/dbraw/zinc/93/04/07/596930407.db2.gz GNAVDUHXJFBHAN-KRWDZBQOSA-N 1 2 345.443 1.609 20 30 EDEDLO Cn1cc(-c2ccc(=O)n(C[N@H+](C)CCc3cccc(C#N)c3)n2)cn1 ZINC000872704778 597038311 /nfs/dbraw/zinc/03/83/11/597038311.db2.gz COGWNFQXBWXQHY-UHFFFAOYSA-N 1 2 348.410 1.647 20 30 EDEDLO Cn1cc(-c2ccc(=O)n(C[N@@H+](C)CCc3cccc(C#N)c3)n2)cn1 ZINC000872704778 597038314 /nfs/dbraw/zinc/03/83/14/597038314.db2.gz COGWNFQXBWXQHY-UHFFFAOYSA-N 1 2 348.410 1.647 20 30 EDEDLO N#CCCN1CC[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000872732984 597050427 /nfs/dbraw/zinc/05/04/27/597050427.db2.gz LSDRIAIHBBTDFK-UHFFFAOYSA-N 1 2 340.387 1.947 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000876196488 597129702 /nfs/dbraw/zinc/12/97/02/597129702.db2.gz LYYZXNGUUXHQLL-WMZOPIPTSA-N 1 2 329.444 1.859 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000876196488 597129704 /nfs/dbraw/zinc/12/97/04/597129704.db2.gz LYYZXNGUUXHQLL-WMZOPIPTSA-N 1 2 329.444 1.859 20 30 EDEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(C(=O)NCCCO)CC2)c1 ZINC000876577830 597247555 /nfs/dbraw/zinc/24/75/55/597247555.db2.gz QEXBZPPQOYHWKR-UHFFFAOYSA-N 1 2 336.823 1.317 20 30 EDEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000873809884 597399719 /nfs/dbraw/zinc/39/97/19/597399719.db2.gz WZBRJMKGKZOGLT-LBPRGKRZSA-N 1 2 341.346 1.272 20 30 EDEDLO C=C(CNC(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000873882453 597431060 /nfs/dbraw/zinc/43/10/60/597431060.db2.gz CNYVRAGPIONNBG-UHFFFAOYSA-N 1 2 339.399 1.097 20 30 EDEDLO C=C(CNC(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000873882453 597431062 /nfs/dbraw/zinc/43/10/62/597431062.db2.gz CNYVRAGPIONNBG-UHFFFAOYSA-N 1 2 339.399 1.097 20 30 EDEDLO CC#CCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@H]2C1 ZINC000875504842 597455808 /nfs/dbraw/zinc/45/58/08/597455808.db2.gz WJJVULMYENVEFB-HOTGVXAUSA-N 1 2 328.416 1.614 20 30 EDEDLO C#CC[C@H](CO)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878300480 597593802 /nfs/dbraw/zinc/59/38/02/597593802.db2.gz FWKKJKKLLTZIRG-HLLBOEOZSA-N 1 2 345.443 1.802 20 30 EDEDLO C#CC[C@H](CO)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878300480 597593803 /nfs/dbraw/zinc/59/38/03/597593803.db2.gz FWKKJKKLLTZIRG-HLLBOEOZSA-N 1 2 345.443 1.802 20 30 EDEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1nnc2n1CCNC2=O ZINC000883304503 597709705 /nfs/dbraw/zinc/70/97/05/597709705.db2.gz YIWPXMQVAOVFSH-HNNXBMFYSA-N 1 2 336.399 1.450 20 30 EDEDLO C#CC1(F)CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000883388260 597730016 /nfs/dbraw/zinc/73/00/16/597730016.db2.gz QMQYRYPCEOCHLP-KRWDZBQOSA-N 1 2 345.418 1.297 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(OCC(F)F)cc1 ZINC000884160197 598011270 /nfs/dbraw/zinc/01/12/70/598011270.db2.gz XCFNYYZKRZOGSD-LBPRGKRZSA-N 1 2 328.315 1.716 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)C1 ZINC000884191619 598021074 /nfs/dbraw/zinc/02/10/74/598021074.db2.gz IUDOICGEHHVXAW-SAPPFGIOSA-N 1 2 339.505 1.463 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)C1 ZINC000884191619 598021077 /nfs/dbraw/zinc/02/10/77/598021077.db2.gz IUDOICGEHHVXAW-SAPPFGIOSA-N 1 2 339.505 1.463 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000884324893 598067811 /nfs/dbraw/zinc/06/78/11/598067811.db2.gz CRDOEGAUIGAMFH-INIZCTEOSA-N 1 2 334.416 1.879 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000884326109 598068591 /nfs/dbraw/zinc/06/85/91/598068591.db2.gz JVQILWFFJAMPSF-BBWFWOEESA-N 1 2 330.428 1.961 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000884439499 598105564 /nfs/dbraw/zinc/10/55/64/598105564.db2.gz HMSSVYBOSNEQEO-SHPPOPEUSA-N 1 2 334.803 1.541 20 30 EDEDLO C[C@H](ON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)c1ncccn1 ZINC000882962267 598118462 /nfs/dbraw/zinc/11/84/62/598118462.db2.gz MVNWOFCNKWVZGX-AWEZNQCLSA-N 1 2 341.415 1.707 20 30 EDEDLO N#C[C@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000914329341 695362375 /nfs/dbraw/zinc/36/23/75/695362375.db2.gz ZBSPCJQAFVHOEL-ZBFHGGJFSA-N 1 2 338.477 1.139 20 30 EDEDLO COc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001015412917 695426055 /nfs/dbraw/zinc/42/60/55/695426055.db2.gz RELZWDUTIJOTHR-SNVBAGLBSA-N 1 2 332.385 1.621 20 30 EDEDLO COc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)co1 ZINC001015412917 695426057 /nfs/dbraw/zinc/42/60/57/695426057.db2.gz RELZWDUTIJOTHR-SNVBAGLBSA-N 1 2 332.385 1.621 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@]2(C)C1 ZINC000993220927 695839197 /nfs/dbraw/zinc/83/91/97/695839197.db2.gz SQCVLVXBUGYPEH-KUHUBIRLSA-N 1 2 344.459 1.861 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000993220927 695839199 /nfs/dbraw/zinc/83/91/99/695839199.db2.gz SQCVLVXBUGYPEH-KUHUBIRLSA-N 1 2 344.459 1.861 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H]1C ZINC000993335265 695991378 /nfs/dbraw/zinc/99/13/78/695991378.db2.gz VSDDIROPGPTOFS-STQMWFEESA-N 1 2 337.855 1.878 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H]1C ZINC000993335265 695991379 /nfs/dbraw/zinc/99/13/79/695991379.db2.gz VSDDIROPGPTOFS-STQMWFEESA-N 1 2 337.855 1.878 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3n[nH]nc3n2)[C@@H]1C ZINC000993421725 696093470 /nfs/dbraw/zinc/09/34/70/696093470.db2.gz WKNXBJXGBCPOFR-WDEREUQCSA-N 1 2 334.811 1.688 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3n[nH]nc3n2)[C@@H]1C ZINC000993421725 696093474 /nfs/dbraw/zinc/09/34/74/696093474.db2.gz WKNXBJXGBCPOFR-WDEREUQCSA-N 1 2 334.811 1.688 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3n[nH]nc3n2)[C@H]1C ZINC000993421721 696093712 /nfs/dbraw/zinc/09/37/12/696093712.db2.gz WKNXBJXGBCPOFR-MNOVXSKESA-N 1 2 334.811 1.688 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3n[nH]nc3n2)[C@H]1C ZINC000993421721 696093717 /nfs/dbraw/zinc/09/37/17/696093717.db2.gz WKNXBJXGBCPOFR-MNOVXSKESA-N 1 2 334.811 1.688 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H]1C ZINC000993446580 696158021 /nfs/dbraw/zinc/15/80/21/696158021.db2.gz NLMLYCPFGLVYTF-TZMCWYRMSA-N 1 2 337.855 1.877 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@H]1C ZINC000993446580 696158022 /nfs/dbraw/zinc/15/80/22/696158022.db2.gz NLMLYCPFGLVYTF-TZMCWYRMSA-N 1 2 337.855 1.877 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CCCN1CC#N ZINC000994499466 696942543 /nfs/dbraw/zinc/94/25/43/696942543.db2.gz PCPBOAXLAXFILS-ZFWWWQNUSA-N 1 2 332.473 1.599 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)CCCN1CC#N ZINC000994499466 696942544 /nfs/dbraw/zinc/94/25/44/696942544.db2.gz PCPBOAXLAXFILS-ZFWWWQNUSA-N 1 2 332.473 1.599 20 30 EDEDLO O=C(Cn1cc[nH+]c1)NC1CN(CC#Cc2ccccc2Cl)C1 ZINC001031476322 697160967 /nfs/dbraw/zinc/16/09/67/697160967.db2.gz IXZNNCLLPRVVMI-UHFFFAOYSA-N 1 2 328.803 1.389 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130838606 697259909 /nfs/dbraw/zinc/25/99/09/697259909.db2.gz JBWCJHSVUMPMAF-HNNXBMFYSA-N 1 2 347.422 1.366 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)c1cscn1 ZINC001031574593 697267600 /nfs/dbraw/zinc/26/76/00/697267600.db2.gz ZBVLUKWSJZPOOV-UHFFFAOYSA-N 1 2 329.400 1.996 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031579252 697274955 /nfs/dbraw/zinc/27/49/55/697274955.db2.gz PPMPRCAZLJLHDR-DLBZAZTESA-N 1 2 344.386 1.034 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000994633041 697347785 /nfs/dbraw/zinc/34/77/85/697347785.db2.gz WSMXLFJXIFPFJR-DJJJIMSYSA-N 1 2 344.459 1.752 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000994633041 697347787 /nfs/dbraw/zinc/34/77/87/697347787.db2.gz WSMXLFJXIFPFJR-DJJJIMSYSA-N 1 2 344.459 1.752 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)cnn1 ZINC001031633930 697376885 /nfs/dbraw/zinc/37/68/85/697376885.db2.gz DZSIIILUZFMNQG-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001060740071 697379859 /nfs/dbraw/zinc/37/98/59/697379859.db2.gz RNVOHAFFUNFQAC-AJNGGQMLSA-N 1 2 345.447 1.539 20 30 EDEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001060740071 697379861 /nfs/dbraw/zinc/37/98/61/697379861.db2.gz RNVOHAFFUNFQAC-AJNGGQMLSA-N 1 2 345.447 1.539 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@]34C[C@H]3COC4)C2)ccc1F ZINC001031687349 697519564 /nfs/dbraw/zinc/51/95/64/697519564.db2.gz UEWMRBYMAHZEGI-YJBOKZPZSA-N 1 2 329.375 1.282 20 30 EDEDLO CC(C)C#CC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060754703 698200494 /nfs/dbraw/zinc/20/04/94/698200494.db2.gz CICJYYQGTYYMIW-WKILWMFISA-N 1 2 330.432 1.334 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001031735387 698264842 /nfs/dbraw/zinc/26/48/42/698264842.db2.gz HHUUXQLGEAILFG-OAHLLOKOSA-N 1 2 333.819 1.314 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)C1 ZINC000941475736 701551609 /nfs/dbraw/zinc/55/16/09/701551609.db2.gz YLCXZRUZAOBAOG-UHFFFAOYSA-N 1 2 336.439 1.254 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)c(C)n3)CC2)C1 ZINC000941487173 701555806 /nfs/dbraw/zinc/55/58/06/701555806.db2.gz GKBRDBLBACZCIL-UHFFFAOYSA-N 1 2 326.444 1.164 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cncc(CC)c3)CC2)C1 ZINC000941488073 701556150 /nfs/dbraw/zinc/55/61/50/701556150.db2.gz ZIYPSLDPAMWDSA-UHFFFAOYSA-N 1 2 326.444 1.109 20 30 EDEDLO C[C@@H]1COCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031957599 701569851 /nfs/dbraw/zinc/56/98/51/701569851.db2.gz APNBDAXZJYGUFM-DNVCBOLYSA-N 1 2 344.430 1.898 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@@H]1CCc2nccn2C1 ZINC001031783014 699206595 /nfs/dbraw/zinc/20/65/95/699206595.db2.gz RSGZDNAYNLCPDL-LJQANCHMSA-N 1 2 348.450 1.545 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4ccccc4C3)CC2)C1 ZINC000941582722 701589574 /nfs/dbraw/zinc/58/95/74/701589574.db2.gz UUCDZGNWHJZJKT-IBGZPJMESA-N 1 2 337.467 1.253 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3[nH]nc4c3CCC4)C2)cc1 ZINC001031807755 699447674 /nfs/dbraw/zinc/44/76/74/699447674.db2.gz CFMBPCFLHDVURJ-UHFFFAOYSA-N 1 2 335.411 1.632 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3c(C)noc3C)CC2)C1 ZINC000941605770 701594276 /nfs/dbraw/zinc/59/42/76/701594276.db2.gz YLMGLDBXXDURIS-AWEZNQCLSA-N 1 2 344.459 1.247 20 30 EDEDLO C=C(Cl)C[NH2+][C@H]1CN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C[C@@H]1C ZINC000939505609 699643621 /nfs/dbraw/zinc/64/36/21/699643621.db2.gz HZXVZUWBXSZERL-HZMBPMFUSA-N 1 2 348.838 1.613 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)C1 ZINC000941657557 701607038 /nfs/dbraw/zinc/60/70/38/701607038.db2.gz AQRNQPHXXAKBIP-UHFFFAOYSA-N 1 2 337.467 1.641 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000941665330 701619160 /nfs/dbraw/zinc/61/91/60/701619160.db2.gz SBEHRQHJJXJKSE-UHFFFAOYSA-N 1 2 345.418 1.056 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)COC3CCC(C)CC3)CC2)C1 ZINC000941685038 701630265 /nfs/dbraw/zinc/63/02/65/701630265.db2.gz NZNQOTSWLWFVQQ-UHFFFAOYSA-N 1 2 333.476 1.043 20 30 EDEDLO Cc1nn(C)c(C)c1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031885088 700604678 /nfs/dbraw/zinc/60/46/78/700604678.db2.gz CBHWFOWGWLBREU-UHFFFAOYSA-N 1 2 343.456 1.832 20 30 EDEDLO CC1(C)C[N@H+](Cc2cnns2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940692630 700834404 /nfs/dbraw/zinc/83/44/04/700834404.db2.gz BMRYPDPORYZSOW-AWEZNQCLSA-N 1 2 344.444 1.768 20 30 EDEDLO CC1(C)C[N@@H+](Cc2cnns2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940692630 700834407 /nfs/dbraw/zinc/83/44/07/700834407.db2.gz BMRYPDPORYZSOW-AWEZNQCLSA-N 1 2 344.444 1.768 20 30 EDEDLO CC1(C)C[N@H+](CC#Cc2ccccc2Cl)CC[C@H]1NC(=O)C(N)=O ZINC000940997243 701031785 /nfs/dbraw/zinc/03/17/85/701031785.db2.gz RKYXTVUOZCDWHU-OAHLLOKOSA-N 1 2 347.846 1.394 20 30 EDEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2Cl)CC[C@H]1NC(=O)C(N)=O ZINC000940997243 701031786 /nfs/dbraw/zinc/03/17/86/701031786.db2.gz RKYXTVUOZCDWHU-OAHLLOKOSA-N 1 2 347.846 1.394 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)C(C)(C)C1 ZINC000941113122 701190383 /nfs/dbraw/zinc/19/03/83/701190383.db2.gz LCCIVOZLTBLTIK-LLVKDONJSA-N 1 2 343.225 1.809 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)C(C)(C)C1 ZINC000941113122 701190385 /nfs/dbraw/zinc/19/03/85/701190385.db2.gz LCCIVOZLTBLTIK-LLVKDONJSA-N 1 2 343.225 1.809 20 30 EDEDLO O=C(CCn1cncn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032282630 701352381 /nfs/dbraw/zinc/35/23/81/701352381.db2.gz ATXXSLLOVZHXSD-ROUUACIJSA-N 1 2 335.411 1.005 20 30 EDEDLO O=C(CCn1cncn1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032282630 701352382 /nfs/dbraw/zinc/35/23/82/701352382.db2.gz ATXXSLLOVZHXSD-ROUUACIJSA-N 1 2 335.411 1.005 20 30 EDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)C(C)(C)C1 ZINC000941236928 701427402 /nfs/dbraw/zinc/42/74/02/701427402.db2.gz CTOXCTIHKIUNHA-OAHLLOKOSA-N 1 2 337.427 1.935 20 30 EDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)C(C)(C)C1 ZINC000941236928 701427403 /nfs/dbraw/zinc/42/74/03/701427403.db2.gz CTOXCTIHKIUNHA-OAHLLOKOSA-N 1 2 337.427 1.935 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(N3CCN(C(=O)c4ccc[nH]4)CC3)C2)cc1 ZINC000941311002 701467605 /nfs/dbraw/zinc/46/76/05/701467605.db2.gz ZMGINRNKNSSNMH-UHFFFAOYSA-N 1 2 349.438 1.529 20 30 EDEDLO COCc1noc([C@H](C)[NH2+][C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995798863 702040105 /nfs/dbraw/zinc/04/01/05/702040105.db2.gz PITBMDIGIJCQLH-JSGCOSHPSA-N 1 2 346.431 1.517 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)s1 ZINC000941965224 702257663 /nfs/dbraw/zinc/25/76/63/702257663.db2.gz XAIOVUCBTJPHCL-IINYFYTJSA-N 1 2 344.444 1.687 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)s1 ZINC000941965224 702257665 /nfs/dbraw/zinc/25/76/65/702257665.db2.gz XAIOVUCBTJPHCL-IINYFYTJSA-N 1 2 344.444 1.687 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031987411 702417681 /nfs/dbraw/zinc/41/76/81/702417681.db2.gz MNTODUQJFMWWLS-AEFFLSMTSA-N 1 2 343.402 1.836 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC(=O)NC2CCCCC2)C1 ZINC001031987529 702419456 /nfs/dbraw/zinc/41/94/56/702419456.db2.gz RRJVIFHKVDYIED-SJORKVTESA-N 1 2 349.475 1.074 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)c1 ZINC001031992345 702540625 /nfs/dbraw/zinc/54/06/25/702540625.db2.gz VRZOZFMOTDWFEG-NUJGCVRESA-N 1 2 343.402 1.813 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)nn(C)c1Cl ZINC001032676854 706696896 /nfs/dbraw/zinc/69/68/96/706696896.db2.gz HLPJFLDYBNUUMI-UWVGGRQHSA-N 1 2 327.215 1.649 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)nn(C)c1Cl ZINC001032676854 706696898 /nfs/dbraw/zinc/69/68/98/706696898.db2.gz HLPJFLDYBNUUMI-UWVGGRQHSA-N 1 2 327.215 1.649 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC000942343550 702853257 /nfs/dbraw/zinc/85/32/57/702853257.db2.gz DCUGXQOBIZZIGS-MRXNPFEDSA-N 1 2 330.432 1.737 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC000942345449 702854935 /nfs/dbraw/zinc/85/49/35/702854935.db2.gz WMIAUQDZHVHFGV-MRXNPFEDSA-N 1 2 344.459 1.816 20 30 EDEDLO C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001067686746 703459537 /nfs/dbraw/zinc/45/95/37/703459537.db2.gz VWMPLOWMCQCVDA-AWEZNQCLSA-N 1 2 336.436 1.159 20 30 EDEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001060813139 703471485 /nfs/dbraw/zinc/47/14/85/703471485.db2.gz MJWZKPVUQIDERU-IHRRRGAJSA-N 1 2 331.420 1.293 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC001032504350 703826140 /nfs/dbraw/zinc/82/61/40/703826140.db2.gz UGDYYSCBODSNJV-GJZGRUSLSA-N 1 2 331.803 1.587 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC001032504350 703826143 /nfs/dbraw/zinc/82/61/43/703826143.db2.gz UGDYYSCBODSNJV-GJZGRUSLSA-N 1 2 331.803 1.587 20 30 EDEDLO Cc1cccn(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1=O ZINC001004439629 704422105 /nfs/dbraw/zinc/42/21/05/704422105.db2.gz UZYPGJMWFIAXBT-QGZVFWFLSA-N 1 2 342.443 1.383 20 30 EDEDLO Cc1cccn(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1=O ZINC001004439629 704422106 /nfs/dbraw/zinc/42/21/06/704422106.db2.gz UZYPGJMWFIAXBT-QGZVFWFLSA-N 1 2 342.443 1.383 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCn2ccccc2=O)CC1 ZINC001004445893 704428552 /nfs/dbraw/zinc/42/85/52/704428552.db2.gz JJZBNPHRDVXXLF-KRWDZBQOSA-N 1 2 342.443 1.465 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2ccccc2=O)CC1 ZINC001004445893 704428553 /nfs/dbraw/zinc/42/85/53/704428553.db2.gz JJZBNPHRDVXXLF-KRWDZBQOSA-N 1 2 342.443 1.465 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1N(C)C(C)=O ZINC001032549659 704682131 /nfs/dbraw/zinc/68/21/31/704682131.db2.gz ABOIKCYCZXBREW-HOTGVXAUSA-N 1 2 325.412 1.591 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1N(C)C(C)=O ZINC001032549659 704682132 /nfs/dbraw/zinc/68/21/32/704682132.db2.gz ABOIKCYCZXBREW-HOTGVXAUSA-N 1 2 325.412 1.591 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000944997609 704905936 /nfs/dbraw/zinc/90/59/36/704905936.db2.gz LJKXNFVKRZABSD-UHFFFAOYSA-N 1 2 330.432 1.615 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC000998757251 706192311 /nfs/dbraw/zinc/19/23/11/706192311.db2.gz WPHDDAULZDIXKJ-OCCSQVGLSA-N 1 2 331.420 1.967 20 30 EDEDLO CCO[C@H](C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999117522 706543585 /nfs/dbraw/zinc/54/35/85/706543585.db2.gz OIYCHYAYVNOAQU-UKRRQHHQSA-N 1 2 346.431 1.661 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)C2CC([NH2+][C@@H](C)c3noc(C)n3)C2)c1 ZINC000999377112 706871388 /nfs/dbraw/zinc/87/13/88/706871388.db2.gz SORGRHXXORZVTN-SOISORPOSA-N 1 2 339.399 1.708 20 30 EDEDLO CCc1nc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C#CC2CC2)no1 ZINC001004857336 707477138 /nfs/dbraw/zinc/47/71/38/707477138.db2.gz YIIYXMTVJNJTLO-ZFWWWQNUSA-N 1 2 330.432 1.905 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2cnns2)CC1 ZINC001005147883 707860724 /nfs/dbraw/zinc/86/07/24/707860724.db2.gz FAZVXMWUGPYEIJ-UHFFFAOYSA-N 1 2 345.266 1.983 20 30 EDEDLO C=CCO[C@H](C)C(=O)N(C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001067691027 708064444 /nfs/dbraw/zinc/06/44/44/708064444.db2.gz PNVDOWOWDUAWHX-OAHLLOKOSA-N 1 2 336.436 1.171 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001061663062 708104833 /nfs/dbraw/zinc/10/48/33/708104833.db2.gz GHISETYKGWFJDV-GDBMZVCRSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001061663062 708104835 /nfs/dbraw/zinc/10/48/35/708104835.db2.gz GHISETYKGWFJDV-GDBMZVCRSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001033567730 708214285 /nfs/dbraw/zinc/21/42/85/708214285.db2.gz LWSQAINYOHPAPT-STQMWFEESA-N 1 2 339.827 1.138 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001033567730 708214288 /nfs/dbraw/zinc/21/42/88/708214288.db2.gz LWSQAINYOHPAPT-STQMWFEESA-N 1 2 339.827 1.138 20 30 EDEDLO C=C1CCC(C(=O)NCC2CC[NH+](Cc3cnn(C)n3)CC2)CC1 ZINC001001796636 708310874 /nfs/dbraw/zinc/31/08/74/708310874.db2.gz FSWRKMUYCHFGRD-UHFFFAOYSA-N 1 2 331.464 1.890 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)[nH]c2)C1 ZINC001033635032 708385589 /nfs/dbraw/zinc/38/55/89/708385589.db2.gz DCZHAECBDWXCEB-LBPRGKRZSA-N 1 2 340.221 1.842 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)[nH]c2)C1 ZINC001033635032 708385591 /nfs/dbraw/zinc/38/55/91/708385591.db2.gz DCZHAECBDWXCEB-LBPRGKRZSA-N 1 2 340.221 1.842 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CCN(C(C)=O)CC2)C1 ZINC001033649372 708432732 /nfs/dbraw/zinc/43/27/32/708432732.db2.gz YZEVERFRCYPHJW-HNNXBMFYSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(C(C)=O)CC2)C1 ZINC001033649372 708432735 /nfs/dbraw/zinc/43/27/35/708432735.db2.gz YZEVERFRCYPHJW-HNNXBMFYSA-N 1 2 327.856 1.530 20 30 EDEDLO Cc1nnc([C@@H](C)[NH+]2CCC(N(C)C(=O)c3c[nH]c(C#N)c3)CC2)o1 ZINC001005289522 708529773 /nfs/dbraw/zinc/52/97/73/708529773.db2.gz ONADDVLPHIZLKI-LLVKDONJSA-N 1 2 342.403 1.875 20 30 EDEDLO CC#CC[NH+]1CCC(CNC(=O)c2n[nH]nc2-c2ccccc2)CC1 ZINC001002155962 708670659 /nfs/dbraw/zinc/67/06/59/708670659.db2.gz DRMCAWMYMMQYGR-UHFFFAOYSA-N 1 2 337.427 1.937 20 30 EDEDLO CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001002632079 709190954 /nfs/dbraw/zinc/19/09/54/709190954.db2.gz RMXSBBQINIGEIU-LLVKDONJSA-N 1 2 342.403 1.787 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)C2)nn1 ZINC001061136054 709344529 /nfs/dbraw/zinc/34/45/29/709344529.db2.gz KFTAQBXVYXYEAQ-ZIAGYGMSSA-N 1 2 341.419 1.716 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001002774732 709381974 /nfs/dbraw/zinc/38/19/74/709381974.db2.gz AOXGSCSLFLIWSQ-HNAYVOBHSA-N 1 2 344.459 1.622 20 30 EDEDLO CCn1ccnc1C[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171350 709485350 /nfs/dbraw/zinc/48/53/50/709485350.db2.gz NYTISPJGHIKKDO-OAHLLOKOSA-N 1 2 340.431 1.887 20 30 EDEDLO CCn1ccnc1C[N@H+]1CCCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171350 709485352 /nfs/dbraw/zinc/48/53/52/709485352.db2.gz NYTISPJGHIKKDO-OAHLLOKOSA-N 1 2 340.431 1.887 20 30 EDEDLO C[C@@H](c1nncn1C)[N@@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171774 709485903 /nfs/dbraw/zinc/48/59/03/709485903.db2.gz ZDRITAHKGHXHHW-JSGCOSHPSA-N 1 2 341.419 1.360 20 30 EDEDLO C[C@@H](c1nncn1C)[N@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171774 709485904 /nfs/dbraw/zinc/48/59/04/709485904.db2.gz ZDRITAHKGHXHHW-JSGCOSHPSA-N 1 2 341.419 1.360 20 30 EDEDLO CN(c1[nH+]cnc2c1cnn2C)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001061207286 709683990 /nfs/dbraw/zinc/68/39/90/709683990.db2.gz FTUIMMVREATFIT-CQSZACIVSA-N 1 2 338.415 1.204 20 30 EDEDLO CN(c1ncc(C#N)cc1F)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001061228048 709829542 /nfs/dbraw/zinc/82/95/42/709829542.db2.gz SEGYFGHVBPEIPH-CYBMUJFWSA-N 1 2 342.378 1.485 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCCC[N@@H+](Cc3cc(C)on3)C2)nn1 ZINC001034433701 710005194 /nfs/dbraw/zinc/00/51/94/710005194.db2.gz ZVUNMXAORPKJFY-AWEZNQCLSA-N 1 2 344.419 1.545 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCCC[N@H+](Cc3cc(C)on3)C2)nn1 ZINC001034433701 710005198 /nfs/dbraw/zinc/00/51/98/710005198.db2.gz ZVUNMXAORPKJFY-AWEZNQCLSA-N 1 2 344.419 1.545 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)c3nnc[nH]3)C2)s1 ZINC001034451932 710057428 /nfs/dbraw/zinc/05/74/28/710057428.db2.gz ZPNGHEHORMWASY-NSHDSACASA-N 1 2 330.417 1.522 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3nnc[nH]3)C2)s1 ZINC001034451932 710057434 /nfs/dbraw/zinc/05/74/34/710057434.db2.gz ZPNGHEHORMWASY-NSHDSACASA-N 1 2 330.417 1.522 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)c3ncn[nH]3)C2)s1 ZINC001034451932 710057443 /nfs/dbraw/zinc/05/74/43/710057443.db2.gz ZPNGHEHORMWASY-NSHDSACASA-N 1 2 330.417 1.522 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3ncn[nH]3)C2)s1 ZINC001034451932 710057445 /nfs/dbraw/zinc/05/74/45/710057445.db2.gz ZPNGHEHORMWASY-NSHDSACASA-N 1 2 330.417 1.522 20 30 EDEDLO O=C(Cc1nnc[nH]1)N[C@@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC001034480756 710093113 /nfs/dbraw/zinc/09/31/13/710093113.db2.gz NLEINOLMNKEOJX-QGZVFWFLSA-N 1 2 337.427 1.370 20 30 EDEDLO O=C(Cc1nnc[nH]1)N[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001034480756 710093117 /nfs/dbraw/zinc/09/31/17/710093117.db2.gz NLEINOLMNKEOJX-QGZVFWFLSA-N 1 2 337.427 1.370 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001016376435 710126031 /nfs/dbraw/zinc/12/60/31/710126031.db2.gz WSOLHMUHSUKTDU-CQSZACIVSA-N 1 2 336.823 1.995 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(NC(=O)NC)cc2)C1 ZINC001016376435 710126033 /nfs/dbraw/zinc/12/60/33/710126033.db2.gz WSOLHMUHSUKTDU-CQSZACIVSA-N 1 2 336.823 1.995 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001034535204 710206830 /nfs/dbraw/zinc/20/68/30/710206830.db2.gz CPDQDIAZGXSGPL-GFCCVEGCSA-N 1 2 336.823 1.517 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001034535204 710206831 /nfs/dbraw/zinc/20/68/31/710206831.db2.gz CPDQDIAZGXSGPL-GFCCVEGCSA-N 1 2 336.823 1.517 20 30 EDEDLO Cc1cncn1CC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003313236 710241665 /nfs/dbraw/zinc/24/16/65/710241665.db2.gz YGJSLBLAIFAMIQ-UHFFFAOYSA-N 1 2 343.456 1.906 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2ncccn2)CC1 ZINC001003832124 710620547 /nfs/dbraw/zinc/62/05/47/710620547.db2.gz RRLUMPRBTLODJJ-UHFFFAOYSA-N 1 2 339.374 1.882 20 30 EDEDLO CN(C(=O)c1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032903637 710690256 /nfs/dbraw/zinc/69/02/56/710690256.db2.gz LTGZKHZZIAZVKR-MRXNPFEDSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1cnn(C)c1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032903637 710690260 /nfs/dbraw/zinc/69/02/60/710690260.db2.gz LTGZKHZZIAZVKR-MRXNPFEDSA-N 1 2 341.390 1.777 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2cn(C(C)C)cn2)C1=O ZINC001038558282 710788487 /nfs/dbraw/zinc/78/84/87/710788487.db2.gz ZZXOVUVQTHYKOX-GDBMZVCRSA-N 1 2 345.447 1.055 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cn(C(C)C)cn2)C1=O ZINC001038558282 710788491 /nfs/dbraw/zinc/78/84/91/710788491.db2.gz ZZXOVUVQTHYKOX-GDBMZVCRSA-N 1 2 345.447 1.055 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032929675 710847398 /nfs/dbraw/zinc/84/73/98/710847398.db2.gz AYZMSZPKAPRZRX-ZDUSSCGKSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032929675 710847403 /nfs/dbraw/zinc/84/74/03/710847403.db2.gz AYZMSZPKAPRZRX-ZDUSSCGKSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001032991698 711176868 /nfs/dbraw/zinc/17/68/68/711176868.db2.gz LZZFTTMLQWVKHV-HNNXBMFYSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001032991698 711176873 /nfs/dbraw/zinc/17/68/73/711176873.db2.gz LZZFTTMLQWVKHV-HNNXBMFYSA-N 1 2 327.363 1.767 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(C)n(C)n3)CC2)cn1 ZINC001003997012 711233150 /nfs/dbraw/zinc/23/31/50/711233150.db2.gz AZOOSDGWVMDALL-UHFFFAOYSA-N 1 2 337.427 1.499 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3nccc(C)n3)CC2)cn1 ZINC001003997811 711234715 /nfs/dbraw/zinc/23/47/15/711234715.db2.gz MKSWQNLQBFLJIG-UHFFFAOYSA-N 1 2 335.411 1.556 20 30 EDEDLO COCc1noc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC001034935746 711363483 /nfs/dbraw/zinc/36/34/83/711363483.db2.gz WWMLNYSUKXSDAC-TZMCWYRMSA-N 1 2 332.404 1.271 20 30 EDEDLO CCOc1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)[nH]n1 ZINC001004469807 711846487 /nfs/dbraw/zinc/84/64/87/711846487.db2.gz PPJRLUULJIXBSJ-HNNXBMFYSA-N 1 2 331.420 1.649 20 30 EDEDLO CCOc1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)[nH]n1 ZINC001004469807 711846490 /nfs/dbraw/zinc/84/64/90/711846490.db2.gz PPJRLUULJIXBSJ-HNNXBMFYSA-N 1 2 331.420 1.649 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC001004472282 711848760 /nfs/dbraw/zinc/84/87/60/711848760.db2.gz GCNBJVYSNLVLOK-IAGOWNOFSA-N 1 2 341.459 1.672 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC001004472282 711848761 /nfs/dbraw/zinc/84/87/61/711848761.db2.gz GCNBJVYSNLVLOK-IAGOWNOFSA-N 1 2 341.459 1.672 20 30 EDEDLO Cn1ccc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cc1=O ZINC001004475705 711855082 /nfs/dbraw/zinc/85/50/82/711855082.db2.gz VQCRRRMZZAGLKV-MRXNPFEDSA-N 1 2 328.416 1.225 20 30 EDEDLO Cn1ccc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cc1=O ZINC001004475705 711855083 /nfs/dbraw/zinc/85/50/83/711855083.db2.gz VQCRRRMZZAGLKV-MRXNPFEDSA-N 1 2 328.416 1.225 20 30 EDEDLO COc1nccc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004486586 711866143 /nfs/dbraw/zinc/86/61/43/711866143.db2.gz WVNXQUBZOQZEQX-HNNXBMFYSA-N 1 2 329.404 1.325 20 30 EDEDLO COc1nccc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004486586 711866144 /nfs/dbraw/zinc/86/61/44/711866144.db2.gz WVNXQUBZOQZEQX-HNNXBMFYSA-N 1 2 329.404 1.325 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 ZINC001004483261 711874126 /nfs/dbraw/zinc/87/41/26/711874126.db2.gz GTYUEKFXPVKBGX-JKSUJKDBSA-N 1 2 332.448 1.272 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 ZINC001004483261 711874127 /nfs/dbraw/zinc/87/41/27/711874127.db2.gz GTYUEKFXPVKBGX-JKSUJKDBSA-N 1 2 332.448 1.272 20 30 EDEDLO Cc1n[nH]c(=O)c(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1C ZINC001004499053 711889157 /nfs/dbraw/zinc/88/91/57/711889157.db2.gz KLQXCFGOXBMJIC-OAHLLOKOSA-N 1 2 343.431 1.639 20 30 EDEDLO Cc1n[nH]c(=O)c(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1C ZINC001004499053 711889158 /nfs/dbraw/zinc/88/91/58/711889158.db2.gz KLQXCFGOXBMJIC-OAHLLOKOSA-N 1 2 343.431 1.639 20 30 EDEDLO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC001033137689 711923808 /nfs/dbraw/zinc/92/38/08/711923808.db2.gz YYCIFIYUCJKKMT-OAHLLOKOSA-N 1 2 325.416 1.585 20 30 EDEDLO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC001033137689 711923810 /nfs/dbraw/zinc/92/38/10/711923810.db2.gz YYCIFIYUCJKKMT-OAHLLOKOSA-N 1 2 325.416 1.585 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CCN(C(N)=O)CC2)CC1 ZINC001004623174 712069935 /nfs/dbraw/zinc/06/99/35/712069935.db2.gz PYWGCRVFACVPEI-MRXNPFEDSA-N 1 2 347.463 1.004 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CCN(C(N)=O)CC2)CC1 ZINC001004623174 712069939 /nfs/dbraw/zinc/06/99/39/712069939.db2.gz PYWGCRVFACVPEI-MRXNPFEDSA-N 1 2 347.463 1.004 20 30 EDEDLO CNC(=O)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000175023775 529846080 /nfs/dbraw/zinc/84/60/80/529846080.db2.gz WCWMNVCYWONACR-UHFFFAOYSA-N 1 2 348.834 1.998 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000559691352 306257830 /nfs/dbraw/zinc/25/78/30/306257830.db2.gz PQWXWWSMRHLHGW-GFCCVEGCSA-N 1 2 340.387 1.519 20 30 EDEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558439 219136991 /nfs/dbraw/zinc/13/69/91/219136991.db2.gz SOWXTLMVHTUTCA-CQSZACIVSA-N 1 2 332.423 1.980 20 30 EDEDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000174685714 530066369 /nfs/dbraw/zinc/06/63/69/530066369.db2.gz JUPYGGTWMAORRJ-UHFFFAOYSA-N 1 2 340.305 1.290 20 30 EDEDLO C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000329414795 539434958 /nfs/dbraw/zinc/43/49/58/539434958.db2.gz FDVPYMZYZWDPPL-CYBMUJFWSA-N 1 2 333.436 1.589 20 30 EDEDLO Cc1cccc([C@H](CNC(=O)c2c[nH]c(C#N)c2)[NH+]2CCOCC2)c1 ZINC000181209084 234119262 /nfs/dbraw/zinc/11/92/62/234119262.db2.gz QFJMZUFXEJWUDS-SFHVURJKSA-N 1 2 338.411 1.998 20 30 EDEDLO N#Cc1cc(C(F)(F)F)ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000269355240 283092763 /nfs/dbraw/zinc/09/27/63/283092763.db2.gz LALBBMVILPULSC-CYBMUJFWSA-N 1 2 329.322 1.682 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000376200666 291127973 /nfs/dbraw/zinc/12/79/73/291127973.db2.gz UHLAGQSXNCNILN-YJBOKZPZSA-N 1 2 339.439 1.911 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112359948 237120568 /nfs/dbraw/zinc/12/05/68/237120568.db2.gz FMLUMGOMAJXYKK-CZUORRHYSA-N 1 2 346.406 1.623 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112359948 237120578 /nfs/dbraw/zinc/12/05/78/237120578.db2.gz FMLUMGOMAJXYKK-CZUORRHYSA-N 1 2 346.406 1.623 20 30 EDEDLO N#C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CC1 ZINC000108839268 237105107 /nfs/dbraw/zinc/10/51/07/237105107.db2.gz LDEHYYRWUDFDDB-MRXNPFEDSA-N 1 2 337.383 1.944 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078623292 217090766 /nfs/dbraw/zinc/09/07/66/217090766.db2.gz DGGWKCWJVXYUMD-LBPRGKRZSA-N 1 2 337.383 1.037 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078623292 217090772 /nfs/dbraw/zinc/09/07/72/217090772.db2.gz DGGWKCWJVXYUMD-LBPRGKRZSA-N 1 2 337.383 1.037 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000110920880 220080017 /nfs/dbraw/zinc/08/00/17/220080017.db2.gz RYQZCHCOCCBOPO-OAHLLOKOSA-N 1 2 331.416 1.506 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246621162 139115464 /nfs/dbraw/zinc/11/54/64/139115464.db2.gz INEYGYQTVFNRIC-NVXWUHKLSA-N 1 2 339.399 1.776 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246621162 139115465 /nfs/dbraw/zinc/11/54/65/139115465.db2.gz INEYGYQTVFNRIC-NVXWUHKLSA-N 1 2 339.399 1.776 20 30 EDEDLO C=CC[N@@H+](C[C@@H](O)COc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000246221244 249306540 /nfs/dbraw/zinc/30/65/40/249306540.db2.gz DMSVWBGSAUWQPQ-LSDHHAIUSA-N 1 2 325.430 1.101 20 30 EDEDLO C=CC[N@H+](C[C@@H](O)COc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000246221244 249306542 /nfs/dbraw/zinc/30/65/42/249306542.db2.gz DMSVWBGSAUWQPQ-LSDHHAIUSA-N 1 2 325.430 1.101 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC(N2CCCC2=O)CC1 ZINC000329119035 249819043 /nfs/dbraw/zinc/81/90/43/249819043.db2.gz OVCIDWDENHYURE-UHFFFAOYSA-N 1 2 345.447 1.720 20 30 EDEDLO COCC1(C#N)CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000343141157 250011715 /nfs/dbraw/zinc/01/17/15/250011715.db2.gz PNPMVXNWUHBLLC-CQSZACIVSA-N 1 2 331.420 1.194 20 30 EDEDLO COCC1(C#N)CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000343141157 250011717 /nfs/dbraw/zinc/01/17/17/250011717.db2.gz PNPMVXNWUHBLLC-CQSZACIVSA-N 1 2 331.420 1.194 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000344567782 250018000 /nfs/dbraw/zinc/01/80/00/250018000.db2.gz MIADKKLBVHZCLI-HOTGVXAUSA-N 1 2 337.464 1.123 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000344567782 250018004 /nfs/dbraw/zinc/01/80/04/250018004.db2.gz MIADKKLBVHZCLI-HOTGVXAUSA-N 1 2 337.464 1.123 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1OC ZINC000345856168 250037712 /nfs/dbraw/zinc/03/77/12/250037712.db2.gz YPQDCAXGJMVXSQ-VQHPVUNQSA-N 1 2 337.464 1.510 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1OC ZINC000345856168 250037715 /nfs/dbraw/zinc/03/77/15/250037715.db2.gz YPQDCAXGJMVXSQ-VQHPVUNQSA-N 1 2 337.464 1.510 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000347040534 250052821 /nfs/dbraw/zinc/05/28/21/250052821.db2.gz RGECDKWLBVHLEJ-LBPRGKRZSA-N 1 2 331.807 1.792 20 30 EDEDLO C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000354674044 250096738 /nfs/dbraw/zinc/09/67/38/250096738.db2.gz LTYVZCJWHXNEIJ-LLVKDONJSA-N 1 2 328.372 1.052 20 30 EDEDLO C=CCOC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(=O)OC ZINC000360755956 250164667 /nfs/dbraw/zinc/16/46/67/250164667.db2.gz SBVBCHPMTYVBPF-INIZCTEOSA-N 1 2 343.383 1.405 20 30 EDEDLO C=CCOC[C@@H](NC(=O)Cn1c(CC)[nH+]c2ccccc21)C(=O)OC ZINC000360749681 250164878 /nfs/dbraw/zinc/16/48/78/250164878.db2.gz ZXDGENFQMPNCRQ-CQSZACIVSA-N 1 2 345.399 1.459 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000372591670 250222902 /nfs/dbraw/zinc/22/29/02/250222902.db2.gz HWPODDDCZWLPBL-ZWKOTPCHSA-N 1 2 340.464 1.213 20 30 EDEDLO C[C@H](O)c1cn(C2C[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)nn1 ZINC000374805181 250272298 /nfs/dbraw/zinc/27/22/98/250272298.db2.gz HGRXZTZHFJXXQS-STQMWFEESA-N 1 2 327.388 1.679 20 30 EDEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC000253602070 139207419 /nfs/dbraw/zinc/20/74/19/139207419.db2.gz HJRGAOFHEVTHND-OAHLLOKOSA-N 1 2 327.432 1.334 20 30 EDEDLO C=CCn1cc(CNC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000424909917 252284821 /nfs/dbraw/zinc/28/48/21/252284821.db2.gz WTYWJXKQOHKKOK-LZWOXQAQSA-N 1 2 335.452 1.214 20 30 EDEDLO C=CCn1cc(CNC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000424909917 252284825 /nfs/dbraw/zinc/28/48/25/252284825.db2.gz WTYWJXKQOHKKOK-LZWOXQAQSA-N 1 2 335.452 1.214 20 30 EDEDLO N#Cc1cc(Br)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000154117688 224205202 /nfs/dbraw/zinc/20/52/02/224205202.db2.gz UAEDHYYJVPUVDB-ZDUSSCGKSA-N 1 2 341.205 1.393 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cn2c3c(sc2=O)C[C@@H](C)CC3)CC1 ZINC000491066787 255117672 /nfs/dbraw/zinc/11/76/72/255117672.db2.gz FCKPPEWHULYIEF-ZDUSSCGKSA-N 1 2 347.484 1.454 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ncccc3C)n2CC(=C)C)CC1 ZINC000491069579 255118353 /nfs/dbraw/zinc/11/83/53/255118353.db2.gz WTZLETVUQNNZHS-UHFFFAOYSA-N 1 2 336.443 1.980 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CS[C@H](CCCC)C(=O)OC)CC1 ZINC000490740846 255104521 /nfs/dbraw/zinc/10/45/21/255104521.db2.gz RKWQDAZPYUNGIS-CQSZACIVSA-N 1 2 326.462 1.229 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2Br)CC1 ZINC000490762604 255106045 /nfs/dbraw/zinc/10/60/45/255106045.db2.gz ILRNJOFGLSJWJX-UHFFFAOYSA-N 1 2 336.233 1.638 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2c(Cl)cc(C#N)cc2OC)CC1 ZINC000490800066 255107622 /nfs/dbraw/zinc/10/76/22/255107622.db2.gz NEKZSQVHRSPXCJ-UHFFFAOYSA-N 1 2 347.802 1.376 20 30 EDEDLO C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2c(F)cccc2Cl)CC1 ZINC000490925681 255109597 /nfs/dbraw/zinc/10/95/97/255109597.db2.gz XILKHFCBZHEZCM-CYBMUJFWSA-N 1 2 337.826 1.907 20 30 EDEDLO C#CCN(C(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCC1 ZINC000491642084 255136195 /nfs/dbraw/zinc/13/61/95/255136195.db2.gz VIJNDSGXJUHPFH-NVXWUHKLSA-N 1 2 342.443 1.697 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000491692804 255142232 /nfs/dbraw/zinc/14/22/32/255142232.db2.gz JJSBXOMHOOTAKA-GJZGRUSLSA-N 1 2 343.427 1.498 20 30 EDEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000491626001 255133179 /nfs/dbraw/zinc/13/31/79/255133179.db2.gz ICELOUFCTGZIIN-GOEBONIOSA-N 1 2 343.427 1.546 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000494789419 255261618 /nfs/dbraw/zinc/26/16/18/255261618.db2.gz AWKRGWUIAJWFBN-VHSXEESVSA-N 1 2 344.444 1.915 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)CC(C)(C)C#N ZINC000496020081 255341986 /nfs/dbraw/zinc/34/19/86/255341986.db2.gz IXVUPRHUCRUFMO-CYBMUJFWSA-N 1 2 338.452 1.594 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)CC(C)(C)C#N ZINC000496020081 255341987 /nfs/dbraw/zinc/34/19/87/255341987.db2.gz IXVUPRHUCRUFMO-CYBMUJFWSA-N 1 2 338.452 1.594 20 30 EDEDLO C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)[C@H](C)NC(=O)OC(C)(C)C ZINC000496314252 255379870 /nfs/dbraw/zinc/37/98/70/255379870.db2.gz RLDSXCVOKMOPKP-BFQNTYOBSA-N 1 2 326.441 1.496 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000263974324 139373232 /nfs/dbraw/zinc/37/32/32/139373232.db2.gz COTOBVILNBTQSV-UHFFFAOYSA-N 1 2 347.415 1.173 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000263974324 139373233 /nfs/dbraw/zinc/37/32/33/139373233.db2.gz COTOBVILNBTQSV-UHFFFAOYSA-N 1 2 347.415 1.173 20 30 EDEDLO Cc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1S(=O)(=O)NCC#N ZINC000108816352 533619519 /nfs/dbraw/zinc/61/95/19/533619519.db2.gz YLGXIBIFZGMVDH-UHFFFAOYSA-N 1 2 344.396 1.753 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)cc1 ZINC000270604364 140132916 /nfs/dbraw/zinc/13/29/16/140132916.db2.gz MNOMHOLAAJAOJL-UHFFFAOYSA-N 1 2 340.343 1.148 20 30 EDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000271070606 140230510 /nfs/dbraw/zinc/23/05/10/140230510.db2.gz VPUUFAOOYOOGHB-UHFFFAOYSA-N 1 2 330.417 1.323 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 ZINC000332404115 141176143 /nfs/dbraw/zinc/17/61/43/141176143.db2.gz WVKCQGUIHMDZEU-UHFFFAOYSA-N 1 2 343.412 1.168 20 30 EDEDLO CO[C@H]1C[C@H](c2nnc[nH]2)[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000344733753 143004787 /nfs/dbraw/zinc/00/47/87/143004787.db2.gz XBRLUIIPCONABC-DZGCQCFKSA-N 1 2 340.387 1.467 20 30 EDEDLO CO[C@H]1C[C@H](c2nnc[nH]2)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000344733753 143004788 /nfs/dbraw/zinc/00/47/88/143004788.db2.gz XBRLUIIPCONABC-DZGCQCFKSA-N 1 2 340.387 1.467 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000345433755 143090687 /nfs/dbraw/zinc/09/06/87/143090687.db2.gz RQGHJLPNQUBCFQ-LSDHHAIUSA-N 1 2 331.416 1.505 20 30 EDEDLO Cn1cc(-c2cc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)on2)cn1 ZINC000346169232 143174330 /nfs/dbraw/zinc/17/43/30/143174330.db2.gz AKERLYBETSCLIG-UHFFFAOYSA-N 1 2 349.398 1.664 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000573182237 306613949 /nfs/dbraw/zinc/61/39/49/306613949.db2.gz WSMQADXUJOOYNB-CQSZACIVSA-N 1 2 347.371 1.934 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000352912488 149213040 /nfs/dbraw/zinc/21/30/40/149213040.db2.gz DMBSILJSCIQDKC-ZFWWWQNUSA-N 1 2 341.333 1.864 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000352912488 149213042 /nfs/dbraw/zinc/21/30/42/149213042.db2.gz DMBSILJSCIQDKC-ZFWWWQNUSA-N 1 2 341.333 1.864 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000357386640 151014627 /nfs/dbraw/zinc/01/46/27/151014627.db2.gz KRIKWQUCZNHWQN-UHFFFAOYSA-N 1 2 325.353 1.940 20 30 EDEDLO CS(=O)(=O)NCC[N@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000361394981 152381913 /nfs/dbraw/zinc/38/19/13/152381913.db2.gz JZUDUGYITUWRBA-UHFFFAOYSA-N 1 2 327.837 1.725 20 30 EDEDLO CS(=O)(=O)NCC[N@@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000361394981 152381915 /nfs/dbraw/zinc/38/19/15/152381915.db2.gz JZUDUGYITUWRBA-UHFFFAOYSA-N 1 2 327.837 1.725 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc1 ZINC000363648152 153022486 /nfs/dbraw/zinc/02/24/86/153022486.db2.gz GNBVRXFGCNZPKO-KRWDZBQOSA-N 1 2 340.427 1.974 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc1 ZINC000363648152 153022487 /nfs/dbraw/zinc/02/24/87/153022487.db2.gz GNBVRXFGCNZPKO-KRWDZBQOSA-N 1 2 340.427 1.974 20 30 EDEDLO Cc1cc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1C#N ZINC000364775084 153329746 /nfs/dbraw/zinc/32/97/46/153329746.db2.gz HUMDJHQZNRQCIT-UHFFFAOYSA-N 1 2 344.440 1.921 20 30 EDEDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000367293924 154069956 /nfs/dbraw/zinc/06/99/56/154069956.db2.gz GSBJEYKPCWELHI-HOCLYGCPSA-N 1 2 348.472 1.286 20 30 EDEDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000367293924 154069957 /nfs/dbraw/zinc/06/99/57/154069957.db2.gz GSBJEYKPCWELHI-HOCLYGCPSA-N 1 2 348.472 1.286 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1cnc2ccc(C#N)cn12 ZINC000368043434 154382055 /nfs/dbraw/zinc/38/20/55/154382055.db2.gz PPIMMFPUUVBOGM-GOEBONIOSA-N 1 2 325.416 1.501 20 30 EDEDLO Cc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1C#N ZINC000374140717 157161511 /nfs/dbraw/zinc/16/15/11/157161511.db2.gz FZJXEHXNIRMCNU-UHFFFAOYSA-N 1 2 339.399 1.648 20 30 EDEDLO C[N@H+](CC(C)(C)CN1CCOCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000124031949 287393360 /nfs/dbraw/zinc/39/33/60/287393360.db2.gz IOJBOOLWVFUTPF-KRWDZBQOSA-N 1 2 344.459 1.375 20 30 EDEDLO C[N@@H+](CC(C)(C)CN1CCOCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000124031949 287393361 /nfs/dbraw/zinc/39/33/61/287393361.db2.gz IOJBOOLWVFUTPF-KRWDZBQOSA-N 1 2 344.459 1.375 20 30 EDEDLO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3ccccc3C#N)CC2)n1 ZINC000171600998 227167428 /nfs/dbraw/zinc/16/74/28/227167428.db2.gz GBQBMLHCOYZKIC-UHFFFAOYSA-N 1 2 347.426 1.866 20 30 EDEDLO N#Cc1cc(F)cc(OS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000288243867 270010201 /nfs/dbraw/zinc/01/02/01/270010201.db2.gz AWRPCKRBDAEFJF-UHFFFAOYSA-N 1 2 328.365 1.128 20 30 EDEDLO N#Cc1ncn(CC(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000519607849 270015315 /nfs/dbraw/zinc/01/53/15/270015315.db2.gz HUCNZVCAEFPYST-UHFFFAOYSA-N 1 2 349.398 1.507 20 30 EDEDLO CCCC[N@H+](CCOC)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290288712 266030240 /nfs/dbraw/zinc/03/02/40/266030240.db2.gz MQQPMMNJLMXUTG-UHFFFAOYSA-N 1 2 325.434 1.475 20 30 EDEDLO CCCC[N@@H+](CCOC)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290288712 266030244 /nfs/dbraw/zinc/03/02/44/266030244.db2.gz MQQPMMNJLMXUTG-UHFFFAOYSA-N 1 2 325.434 1.475 20 30 EDEDLO CCOC(=O)C[N@H+](CC(=O)NCc1cccc(C#N)c1)C(C)(C)C ZINC000431374512 267116514 /nfs/dbraw/zinc/11/65/14/267116514.db2.gz OKRDXCNXPFCGBD-UHFFFAOYSA-N 1 2 331.416 1.838 20 30 EDEDLO CCOC(=O)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C(C)(C)C ZINC000431374512 267116515 /nfs/dbraw/zinc/11/65/15/267116515.db2.gz OKRDXCNXPFCGBD-UHFFFAOYSA-N 1 2 331.416 1.838 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284293017 267138595 /nfs/dbraw/zinc/13/85/95/267138595.db2.gz OCYCPOXHGUTNDY-DGCLKSJQSA-N 1 2 341.371 1.441 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284293017 267138600 /nfs/dbraw/zinc/13/86/00/267138600.db2.gz OCYCPOXHGUTNDY-DGCLKSJQSA-N 1 2 341.371 1.441 20 30 EDEDLO C[C@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)[NH+]1CCOCC1 ZINC000281309630 267160253 /nfs/dbraw/zinc/16/02/53/267160253.db2.gz RTICSHKBFHGKOY-CQSZACIVSA-N 1 2 339.399 1.194 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)Cc2cccc(C#N)c2)no1 ZINC000531150238 267283745 /nfs/dbraw/zinc/28/37/45/267283745.db2.gz LFCPXGIYSPOSGG-UHFFFAOYSA-N 1 2 327.388 1.597 20 30 EDEDLO Cc1ccnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1C#N ZINC000273275493 268012256 /nfs/dbraw/zinc/01/22/56/268012256.db2.gz CIORSMHXODZTBM-HNNXBMFYSA-N 1 2 327.432 1.395 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000448576628 268111229 /nfs/dbraw/zinc/11/12/29/268111229.db2.gz CDAGMNLZWJHWGZ-UHFFFAOYSA-N 1 2 333.395 1.726 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)nc1 ZINC000292292602 268183103 /nfs/dbraw/zinc/18/31/03/268183103.db2.gz UIXUVUBBOXLNSA-NVXWUHKLSA-N 1 2 340.358 1.772 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)nc1 ZINC000292292602 268183106 /nfs/dbraw/zinc/18/31/06/268183106.db2.gz UIXUVUBBOXLNSA-NVXWUHKLSA-N 1 2 340.358 1.772 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccc[nH]2)nc1 ZINC000289912247 268187044 /nfs/dbraw/zinc/18/70/44/268187044.db2.gz NLOKIXDTKOUFIL-HNNXBMFYSA-N 1 2 330.413 1.892 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccc[nH]2)nc1 ZINC000289912247 268187045 /nfs/dbraw/zinc/18/70/45/268187045.db2.gz NLOKIXDTKOUFIL-HNNXBMFYSA-N 1 2 330.413 1.892 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c(Cl)c1 ZINC000420446913 268255848 /nfs/dbraw/zinc/25/58/48/268255848.db2.gz PFQIMCDEZYZYMI-JTQLQIEISA-N 1 2 349.790 1.735 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1 ZINC000295297406 268265785 /nfs/dbraw/zinc/26/57/85/268265785.db2.gz JTZKYXQURBVIAL-GFCCVEGCSA-N 1 2 327.344 1.053 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1 ZINC000295297406 268265786 /nfs/dbraw/zinc/26/57/86/268265786.db2.gz JTZKYXQURBVIAL-GFCCVEGCSA-N 1 2 327.344 1.053 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000528504766 268295847 /nfs/dbraw/zinc/29/58/47/268295847.db2.gz QNYCKGXUMNTBFL-KBPBESRZSA-N 1 2 343.387 1.001 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000528504766 268295851 /nfs/dbraw/zinc/29/58/51/268295851.db2.gz QNYCKGXUMNTBFL-KBPBESRZSA-N 1 2 343.387 1.001 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000528403848 268299136 /nfs/dbraw/zinc/29/91/36/268299136.db2.gz LCSLGEUSPXXQGP-BZUAXINKSA-N 1 2 329.400 1.041 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000528403848 268299139 /nfs/dbraw/zinc/29/91/39/268299139.db2.gz LCSLGEUSPXXQGP-BZUAXINKSA-N 1 2 329.400 1.041 20 30 EDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC000408084901 289015364 /nfs/dbraw/zinc/01/53/64/289015364.db2.gz UXWKHDDXXDZMQR-NEPJUHHUSA-N 1 2 325.409 1.552 20 30 EDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC000408084901 289015367 /nfs/dbraw/zinc/01/53/67/289015367.db2.gz UXWKHDDXXDZMQR-NEPJUHHUSA-N 1 2 325.409 1.552 20 30 EDEDLO Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1C#N ZINC000261724600 302010983 /nfs/dbraw/zinc/01/09/83/302010983.db2.gz NUBXVSJINZSXRD-INIZCTEOSA-N 1 2 342.424 1.597 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CCN1C ZINC000450494130 303008115 /nfs/dbraw/zinc/00/81/15/303008115.db2.gz JITCJGUPASDACH-CQSZACIVSA-N 1 2 326.360 1.693 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000352912485 303199954 /nfs/dbraw/zinc/19/99/54/303199954.db2.gz DMBSILJSCIQDKC-DZGCQCFKSA-N 1 2 341.333 1.864 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000352912485 303199958 /nfs/dbraw/zinc/19/99/58/303199958.db2.gz DMBSILJSCIQDKC-DZGCQCFKSA-N 1 2 341.333 1.864 20 30 EDEDLO C=CCc1cc(C[N@@H+]2C[C@@H](OC)C[C@@H]2C(=O)OC)cc(OC)c1O ZINC000378337904 447418772 /nfs/dbraw/zinc/41/87/72/447418772.db2.gz BQPQWYLJLFZSFL-LSDHHAIUSA-N 1 2 335.400 1.892 20 30 EDEDLO C=CCc1cc(C[N@H+]2C[C@@H](OC)C[C@@H]2C(=O)OC)cc(OC)c1O ZINC000378337904 447418783 /nfs/dbraw/zinc/41/87/83/447418783.db2.gz BQPQWYLJLFZSFL-LSDHHAIUSA-N 1 2 335.400 1.892 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(C)n(Cc3ccccc3)c2=S)CC1 ZINC000044756521 440885609 /nfs/dbraw/zinc/88/56/09/440885609.db2.gz ILWXTEZWZPWMLB-UHFFFAOYSA-N 1 2 341.484 1.979 20 30 EDEDLO C[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)Cc1cccc(C#N)c1 ZINC000046518106 441113209 /nfs/dbraw/zinc/11/32/09/441113209.db2.gz SWHJGZDPNBCCQC-UHFFFAOYSA-N 1 2 344.459 1.217 20 30 EDEDLO C[N@@H+](CC(=O)NCC(C)(C)N1CCOCC1)Cc1cccc(C#N)c1 ZINC000046518106 441113211 /nfs/dbraw/zinc/11/32/11/441113211.db2.gz SWHJGZDPNBCCQC-UHFFFAOYSA-N 1 2 344.459 1.217 20 30 EDEDLO C=CCN1C(=O)c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2C1=O ZINC000072509280 441232856 /nfs/dbraw/zinc/23/28/56/441232856.db2.gz ONAHTJNZLHTSCM-UHFFFAOYSA-N 1 2 338.367 1.485 20 30 EDEDLO C[N@@H+](Cc1nnc2ccccn21)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000081008521 441219048 /nfs/dbraw/zinc/21/90/48/441219048.db2.gz ODNFIULSTGZFDZ-OAHLLOKOSA-N 1 2 337.383 1.473 20 30 EDEDLO C[N@H+](Cc1nnc2ccccn21)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000081008521 441219051 /nfs/dbraw/zinc/21/90/51/441219051.db2.gz ODNFIULSTGZFDZ-OAHLLOKOSA-N 1 2 337.383 1.473 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060480824 441246175 /nfs/dbraw/zinc/24/61/75/441246175.db2.gz VSOMDNDIOFCFOQ-MRXNPFEDSA-N 1 2 339.443 1.664 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000048021664 441251574 /nfs/dbraw/zinc/25/15/74/441251574.db2.gz YSLMRBOVSZONEW-AWEZNQCLSA-N 1 2 349.862 1.717 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(N)=O)cn3)CC2)cc1 ZINC000063500934 441333525 /nfs/dbraw/zinc/33/35/25/441333525.db2.gz IRYQWZQQHQLHPI-UHFFFAOYSA-N 1 2 349.394 1.010 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000026765386 441383768 /nfs/dbraw/zinc/38/37/68/441383768.db2.gz SGCSFIALVGPJJH-LBPRGKRZSA-N 1 2 325.865 1.657 20 30 EDEDLO N#Cc1cccc(C(=O)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)c1 ZINC000074052181 441386135 /nfs/dbraw/zinc/38/61/35/441386135.db2.gz BISLRCMZYMLWBP-UHFFFAOYSA-N 1 2 340.427 1.504 20 30 EDEDLO CCN(CC)C(=O)CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000050049783 441371574 /nfs/dbraw/zinc/37/15/74/441371574.db2.gz NAKMFORHOZJRRD-UHFFFAOYSA-N 1 2 344.459 1.423 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(CCOc2ccccc2C#N)CC1 ZINC000050049783 441371576 /nfs/dbraw/zinc/37/15/76/441371576.db2.gz NAKMFORHOZJRRD-UHFFFAOYSA-N 1 2 344.459 1.423 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2CC(F)(F)F)CC1 ZINC000085278840 441432095 /nfs/dbraw/zinc/43/20/95/441432095.db2.gz XOCZFANBPLTAAG-UHFFFAOYSA-N 1 2 339.361 1.981 20 30 EDEDLO CC(C)OCCN1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000074798592 441468228 /nfs/dbraw/zinc/46/82/28/441468228.db2.gz RJVXWOCGEDPDRH-GOSISDBHSA-N 1 2 347.459 1.341 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@H]1CCc2ccccc21 ZINC000052846363 441479486 /nfs/dbraw/zinc/47/94/86/441479486.db2.gz XSVCEZQWEVPQOQ-KRWDZBQOSA-N 1 2 341.455 1.640 20 30 EDEDLO C#CC[N@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@H]1CCc2ccccc21 ZINC000052846363 441479491 /nfs/dbraw/zinc/47/94/91/441479491.db2.gz XSVCEZQWEVPQOQ-KRWDZBQOSA-N 1 2 341.455 1.640 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2cscn2)CC1 ZINC000065952819 441496514 /nfs/dbraw/zinc/49/65/14/441496514.db2.gz VHUHTMWCYLGEQE-OAHLLOKOSA-N 1 2 334.489 1.850 20 30 EDEDLO COc1cccc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)c1 ZINC000052658774 441466794 /nfs/dbraw/zinc/46/67/94/441466794.db2.gz MNPJHQONYCAOKB-HNNXBMFYSA-N 1 2 330.432 1.578 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)N(CC)[C@@H](C)CS(=O)(=O)CC)CC1 ZINC000112847861 441560523 /nfs/dbraw/zinc/56/05/23/441560523.db2.gz UWXKEFOINXLPQU-AWEZNQCLSA-N 1 2 328.478 1.003 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000054187255 441562636 /nfs/dbraw/zinc/56/26/36/441562636.db2.gz VMDUTWCEJSBBPT-LPHOPBHVSA-N 1 2 343.475 1.642 20 30 EDEDLO N#C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCSC1 ZINC000075939762 441569071 /nfs/dbraw/zinc/56/90/71/441569071.db2.gz OMGVLFGFAYLZTR-HNNXBMFYSA-N 1 2 343.368 1.910 20 30 EDEDLO C#CC[N@@H+](CN1C(=O)N[C@](C)(COC)C1=O)[C@@H]1CCc2ccccc21 ZINC000113240861 441592056 /nfs/dbraw/zinc/59/20/56/441592056.db2.gz MXIYEMHMWWVLIY-VQIMIIECSA-N 1 2 341.411 1.524 20 30 EDEDLO C#CC[N@H+](CN1C(=O)N[C@](C)(COC)C1=O)[C@@H]1CCc2ccccc21 ZINC000113240861 441592061 /nfs/dbraw/zinc/59/20/61/441592061.db2.gz MXIYEMHMWWVLIY-VQIMIIECSA-N 1 2 341.411 1.524 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000076984683 441704229 /nfs/dbraw/zinc/70/42/29/441704229.db2.gz AJNBVTAGCFYSIG-QGZVFWFLSA-N 1 2 347.390 1.204 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000115530761 441752834 /nfs/dbraw/zinc/75/28/34/441752834.db2.gz MISLQQWLPMEZBN-SFHVURJKSA-N 1 2 336.395 1.612 20 30 EDEDLO CCCNC(=O)C1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000042686906 441769818 /nfs/dbraw/zinc/76/98/18/441769818.db2.gz OJRSTSUTPQEPGZ-UHFFFAOYSA-N 1 2 346.431 1.945 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCN3CCCC3=O)CC2)cc1 ZINC000068094755 441727763 /nfs/dbraw/zinc/72/77/63/441727763.db2.gz SXOAPWYQSBOBIK-UHFFFAOYSA-N 1 2 340.427 1.215 20 30 EDEDLO N#Cc1ccc2ncc(CN3CC[NH+](Cc4ccccn4)CC3)n2c1 ZINC000121947776 441817308 /nfs/dbraw/zinc/81/73/08/441817308.db2.gz CCYQNKLEYVLXHE-UHFFFAOYSA-N 1 2 332.411 1.919 20 30 EDEDLO C#CCCCCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000160078419 441857351 /nfs/dbraw/zinc/85/73/51/441857351.db2.gz DJANATVJBVPFRZ-OAHLLOKOSA-N 1 2 330.432 1.909 20 30 EDEDLO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000159766621 441837095 /nfs/dbraw/zinc/83/70/95/441837095.db2.gz CFDLLRUSXKUDKE-OAHLLOKOSA-N 1 2 327.388 1.179 20 30 EDEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000068766682 441848553 /nfs/dbraw/zinc/84/85/53/441848553.db2.gz NZZKARDUQJVDSU-UHFFFAOYSA-N 1 2 342.852 1.528 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(CC(F)(F)F)CC2)cc1 ZINC000078269167 441912354 /nfs/dbraw/zinc/91/23/54/441912354.db2.gz NPVFPTNPFJFOEI-CQSZACIVSA-N 1 2 343.349 1.478 20 30 EDEDLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000124385020 441922306 /nfs/dbraw/zinc/92/23/06/441922306.db2.gz BYPPVTVMEQULSD-UHFFFAOYSA-N 1 2 339.428 1.619 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCCn1cc[nH+]c1 ZINC000161005994 441946540 /nfs/dbraw/zinc/94/65/40/441946540.db2.gz LCXRJTFZNVHMAC-CQSZACIVSA-N 1 2 339.403 1.062 20 30 EDEDLO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000151424501 442059716 /nfs/dbraw/zinc/05/97/16/442059716.db2.gz HCRRLKCNKQKTBY-BBRMVZONSA-N 1 2 337.383 1.803 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000176221652 442194995 /nfs/dbraw/zinc/19/49/95/442194995.db2.gz ODZNKEUDADISQC-UHFFFAOYSA-N 1 2 345.428 1.261 20 30 EDEDLO N#Cc1ccc(Cn2cnc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)n2)cc1 ZINC000153384448 442278885 /nfs/dbraw/zinc/27/88/85/442278885.db2.gz QWNLYNGWYSZFDY-OAHLLOKOSA-N 1 2 347.382 1.596 20 30 EDEDLO CCc1nc(CN2CC[NH+](CC(=O)N(CC)CCC#N)CC2)cs1 ZINC000154438199 442339260 /nfs/dbraw/zinc/33/92/60/442339260.db2.gz VKUYQYGFRCFVCT-UHFFFAOYSA-N 1 2 349.504 1.585 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(F)ccc2OC(C)C)CC1 ZINC000154857501 442361218 /nfs/dbraw/zinc/36/12/18/442361218.db2.gz SKBCSTRSYPXBOS-UHFFFAOYSA-N 1 2 333.407 1.802 20 30 EDEDLO C#CCSCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000172367563 442450475 /nfs/dbraw/zinc/45/04/75/442450475.db2.gz JWGNYWDPVYRPFF-UHFFFAOYSA-N 1 2 334.445 1.084 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186297240 442505948 /nfs/dbraw/zinc/50/59/48/442505948.db2.gz UEPDXUVSOUOYDV-GJZGRUSLSA-N 1 2 326.444 1.904 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186297240 442505953 /nfs/dbraw/zinc/50/59/53/442505953.db2.gz UEPDXUVSOUOYDV-GJZGRUSLSA-N 1 2 326.444 1.904 20 30 EDEDLO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178721903 442463225 /nfs/dbraw/zinc/46/32/25/442463225.db2.gz XFJBBFCSTAMQCJ-KRWDZBQOSA-N 1 2 346.434 1.955 20 30 EDEDLO Cc1cc(C)n2c(CN(CCC#N)CC[NH+]3CCOCC3)cnc2n1 ZINC000156420741 442478364 /nfs/dbraw/zinc/47/83/64/442478364.db2.gz HNYAYTNAVMEDEP-UHFFFAOYSA-N 1 2 342.447 1.394 20 30 EDEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(CC(F)F)CC1 ZINC000157678827 442604050 /nfs/dbraw/zinc/60/40/50/442604050.db2.gz CSHAIMSEBPHIRH-UHFFFAOYSA-N 1 2 325.359 1.828 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000192705324 442678666 /nfs/dbraw/zinc/67/86/66/442678666.db2.gz IBXZKAQHGITODT-UHFFFAOYSA-N 1 2 325.372 1.516 20 30 EDEDLO C=C(C)CN(C)C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000192541184 442660740 /nfs/dbraw/zinc/66/07/40/442660740.db2.gz QPOUPPMNPCMBNZ-UHFFFAOYSA-N 1 2 325.453 1.474 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000246367180 442776757 /nfs/dbraw/zinc/77/67/57/442776757.db2.gz HCLFHDREYOUQIG-NVXWUHKLSA-N 1 2 329.400 1.620 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000246367180 442776760 /nfs/dbraw/zinc/77/67/60/442776760.db2.gz HCLFHDREYOUQIG-NVXWUHKLSA-N 1 2 329.400 1.620 20 30 EDEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193771414 442783495 /nfs/dbraw/zinc/78/34/95/442783495.db2.gz MQAAFNOZVNIPNI-HZPDHXFCSA-N 1 2 341.459 1.865 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000182863558 442837689 /nfs/dbraw/zinc/83/76/89/442837689.db2.gz ZNROIXDCEIZYKK-IRXDYDNUSA-N 1 2 333.432 1.296 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000247253548 442844159 /nfs/dbraw/zinc/84/41/59/442844159.db2.gz PWCAEIMWQZFJPE-RDJZCZTQSA-N 1 2 342.443 1.874 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000247253548 442844161 /nfs/dbraw/zinc/84/41/61/442844161.db2.gz PWCAEIMWQZFJPE-RDJZCZTQSA-N 1 2 342.443 1.874 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265665137 442870351 /nfs/dbraw/zinc/87/03/51/442870351.db2.gz UVKSZTUNSIQJLU-GDBMZVCRSA-N 1 2 328.416 1.484 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265665137 442870355 /nfs/dbraw/zinc/87/03/55/442870355.db2.gz UVKSZTUNSIQJLU-GDBMZVCRSA-N 1 2 328.416 1.484 20 30 EDEDLO COC[C@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 ZINC000189471325 442962606 /nfs/dbraw/zinc/96/26/06/442962606.db2.gz SHVVUIZDFXBDIS-KBRIMQKVSA-N 1 2 329.400 1.399 20 30 EDEDLO COC[C@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 ZINC000189471325 442962609 /nfs/dbraw/zinc/96/26/09/442962609.db2.gz SHVVUIZDFXBDIS-KBRIMQKVSA-N 1 2 329.400 1.399 20 30 EDEDLO C=CC[N@@H+](CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000189663605 442991527 /nfs/dbraw/zinc/99/15/27/442991527.db2.gz CIRPOKCTJIOUIN-SNVBAGLBSA-N 1 2 333.347 1.579 20 30 EDEDLO C=CC[N@H+](CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000189663605 442991532 /nfs/dbraw/zinc/99/15/32/442991532.db2.gz CIRPOKCTJIOUIN-SNVBAGLBSA-N 1 2 333.347 1.579 20 30 EDEDLO C[C@@H]1CC[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 ZINC000190352966 443090709 /nfs/dbraw/zinc/09/07/09/443090709.db2.gz XVPZQRPKDAONHD-ZBFHGGJFSA-N 1 2 349.456 1.432 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245412361 443225265 /nfs/dbraw/zinc/22/52/65/443225265.db2.gz AKUWTTQAMVKNHO-LSDHHAIUSA-N 1 2 330.494 1.699 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245412361 443225271 /nfs/dbraw/zinc/22/52/71/443225271.db2.gz AKUWTTQAMVKNHO-LSDHHAIUSA-N 1 2 330.494 1.699 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245637124 443240798 /nfs/dbraw/zinc/24/07/98/443240798.db2.gz XHWLWKBAUYPASM-AEFFLSMTSA-N 1 2 329.444 1.938 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245637124 443240804 /nfs/dbraw/zinc/24/08/04/443240804.db2.gz XHWLWKBAUYPASM-AEFFLSMTSA-N 1 2 329.444 1.938 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000185430685 443199339 /nfs/dbraw/zinc/19/93/39/443199339.db2.gz JPEUYUWWVNIOMH-MRXNPFEDSA-N 1 2 344.459 1.839 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000246199671 443277903 /nfs/dbraw/zinc/27/79/03/443277903.db2.gz WWONDIOOYARDBT-ILXRZTDVSA-N 1 2 343.493 1.282 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000246199671 443277905 /nfs/dbraw/zinc/27/79/05/443277905.db2.gz WWONDIOOYARDBT-ILXRZTDVSA-N 1 2 343.493 1.282 20 30 EDEDLO CCOC1CC(C/N=C/c2cccc(O)c2O)([NH+]2CCOCC2)C1 ZINC000278390527 443316734 /nfs/dbraw/zinc/31/67/34/443316734.db2.gz ZVJHXUSAFZPWEJ-XDHOZWIPSA-N 1 2 334.416 1.787 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NCC(F)(F)F)c1 ZINC000269517124 443333725 /nfs/dbraw/zinc/33/37/25/443333725.db2.gz PIWCTEPXZJOALW-LLVKDONJSA-N 1 2 341.333 1.605 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)NCC(F)(F)F)c1 ZINC000269517124 443333729 /nfs/dbraw/zinc/33/37/29/443333729.db2.gz PIWCTEPXZJOALW-LLVKDONJSA-N 1 2 341.333 1.605 20 30 EDEDLO N#Cc1c(N)n[nH]c1CCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000267187007 443370743 /nfs/dbraw/zinc/37/07/43/443370743.db2.gz GOPLMPJMHPNEBG-UHFFFAOYSA-N 1 2 326.408 1.689 20 30 EDEDLO N#Cc1c(N)n[nH]c1CCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000267187007 443370744 /nfs/dbraw/zinc/37/07/44/443370744.db2.gz GOPLMPJMHPNEBG-UHFFFAOYSA-N 1 2 326.408 1.689 20 30 EDEDLO N#Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)ccc1C(F)(F)F ZINC000278722975 443414484 /nfs/dbraw/zinc/41/44/84/443414484.db2.gz KIDNACWTTSWTEV-UHFFFAOYSA-N 1 2 326.322 1.811 20 30 EDEDLO N#Cc1cc(NCCC[N@H+]2CCNC(=O)C2)ccc1C(F)(F)F ZINC000278722975 443414487 /nfs/dbraw/zinc/41/44/87/443414487.db2.gz KIDNACWTTSWTEV-UHFFFAOYSA-N 1 2 326.322 1.811 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272651170 443397201 /nfs/dbraw/zinc/39/72/01/443397201.db2.gz ZISMIGWVVNOIGU-NSHDSACASA-N 1 2 327.388 1.809 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)CC1 ZINC000282858004 443453563 /nfs/dbraw/zinc/45/35/63/443453563.db2.gz SVOPTTBMSZCGPH-UHFFFAOYSA-N 1 2 340.387 1.628 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(F)c2C)CC1 ZINC000272828681 443459608 /nfs/dbraw/zinc/45/96/08/443459608.db2.gz KLOUSHYIHCYKHK-UHFFFAOYSA-N 1 2 340.420 1.472 20 30 EDEDLO CNC(=O)N1CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000271166208 443494143 /nfs/dbraw/zinc/49/41/43/443494143.db2.gz BPFCXSALYBXYSL-UHFFFAOYSA-N 1 2 346.431 1.835 20 30 EDEDLO Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(O)c1O ZINC000271264850 443498104 /nfs/dbraw/zinc/49/81/04/443498104.db2.gz KHUPMTHGFUAKHJ-UHFFFAOYSA-N 1 2 333.388 1.094 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000279791341 443629518 /nfs/dbraw/zinc/62/95/18/443629518.db2.gz VRGUHMUDMLYGIP-CYBMUJFWSA-N 1 2 328.338 1.501 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000279791341 443629521 /nfs/dbraw/zinc/62/95/21/443629521.db2.gz VRGUHMUDMLYGIP-CYBMUJFWSA-N 1 2 328.338 1.501 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ncn(C)n2)c(OC)c1 ZINC000275603218 443632840 /nfs/dbraw/zinc/63/28/40/443632840.db2.gz RUAUDXSBJAVJNX-HIFRSBDPSA-N 1 2 346.431 1.643 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274081323 443595335 /nfs/dbraw/zinc/59/53/35/443595335.db2.gz WFLOBVFUFZYDEF-DOMZBBRYSA-N 1 2 341.415 1.421 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274081323 443595339 /nfs/dbraw/zinc/59/53/39/443595339.db2.gz WFLOBVFUFZYDEF-DOMZBBRYSA-N 1 2 341.415 1.421 20 30 EDEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@](C)(C#N)C1CC1 ZINC000283808855 443727045 /nfs/dbraw/zinc/72/70/45/443727045.db2.gz WZPGYFJINVGPID-JTDSTZFVSA-N 1 2 339.443 1.849 20 30 EDEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N[C@](C)(C#N)C1CC1 ZINC000283808855 443727049 /nfs/dbraw/zinc/72/70/49/443727049.db2.gz WZPGYFJINVGPID-JTDSTZFVSA-N 1 2 339.443 1.849 20 30 EDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000298255627 443731738 /nfs/dbraw/zinc/73/17/38/443731738.db2.gz UTENHIUAPBRMDJ-OAHLLOKOSA-N 1 2 345.418 1.340 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000298255627 443731740 /nfs/dbraw/zinc/73/17/40/443731740.db2.gz UTENHIUAPBRMDJ-OAHLLOKOSA-N 1 2 345.418 1.340 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)O[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000283834752 443736428 /nfs/dbraw/zinc/73/64/28/443736428.db2.gz BNYDTAIOCXWLAN-QMTHXVAHSA-N 1 2 337.376 1.499 20 30 EDEDLO C[C@H](C(=O)N1CC(C)(C#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000280616001 443738203 /nfs/dbraw/zinc/73/82/03/443738203.db2.gz ZVRAZBZCMRLKNG-CQSZACIVSA-N 1 2 330.407 1.708 20 30 EDEDLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)nn1CCC#N ZINC000287271413 443739785 /nfs/dbraw/zinc/73/97/85/443739785.db2.gz YLEPWRYGEUXUJQ-UKRRQHHQSA-N 1 2 346.435 1.432 20 30 EDEDLO C#CCC(CC#C)C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000287306383 443740621 /nfs/dbraw/zinc/74/06/21/443740621.db2.gz VLTCMXYYEFNZHM-UHFFFAOYSA-N 1 2 347.459 1.318 20 30 EDEDLO N#CCCCCNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000284939113 443793373 /nfs/dbraw/zinc/79/33/73/443793373.db2.gz JIUCWJITKMKKEA-UHFFFAOYSA-N 1 2 334.445 1.032 20 30 EDEDLO N#CCCCCNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000284939113 443793374 /nfs/dbraw/zinc/79/33/74/443793374.db2.gz JIUCWJITKMKKEA-UHFFFAOYSA-N 1 2 334.445 1.032 20 30 EDEDLO C[C@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccccc1Cl ZINC000284028070 443761722 /nfs/dbraw/zinc/76/17/22/443761722.db2.gz IJWGMYDZZHIUFK-GXFFZTMASA-N 1 2 325.796 1.985 20 30 EDEDLO COCC1(CO[NH+]=C(N)COc2cccc(C(=O)OC)c2)CCC1 ZINC000291983574 443773207 /nfs/dbraw/zinc/77/32/07/443773207.db2.gz UALZMUATKMXROH-UHFFFAOYSA-N 1 2 336.388 1.958 20 30 EDEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000284680054 443783071 /nfs/dbraw/zinc/78/30/71/443783071.db2.gz VKCPNSJWBQPFHG-MRXNPFEDSA-N 1 2 345.443 1.038 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NCc2ccc(F)cc2)C1=O ZINC000281335054 443883050 /nfs/dbraw/zinc/88/30/50/443883050.db2.gz MDGDJMIDSWZEAB-BBRMVZONSA-N 1 2 333.407 1.549 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCc2ccc(F)cc2)C1=O ZINC000281335054 443883054 /nfs/dbraw/zinc/88/30/54/443883054.db2.gz MDGDJMIDSWZEAB-BBRMVZONSA-N 1 2 333.407 1.549 20 30 EDEDLO C=CCCS(=O)(=O)N[C@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000285197110 443891418 /nfs/dbraw/zinc/89/14/18/443891418.db2.gz WILVJPOKHWQMSJ-AWEZNQCLSA-N 1 2 327.450 1.866 20 30 EDEDLO CNC(=O)CC1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000535205143 320713968 /nfs/dbraw/zinc/71/39/68/320713968.db2.gz GSMCIJSXAHRNFB-UHFFFAOYSA-N 1 2 329.400 1.693 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCc2ccccc2OC)C1=O ZINC000281498625 443927607 /nfs/dbraw/zinc/92/76/07/443927607.db2.gz XYDANXPNCBCUQY-HNNXBMFYSA-N 1 2 331.416 1.030 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCc2ccccc2OC)C1=O ZINC000281498625 443927609 /nfs/dbraw/zinc/92/76/09/443927609.db2.gz XYDANXPNCBCUQY-HNNXBMFYSA-N 1 2 331.416 1.030 20 30 EDEDLO CC[N@H+](CCOC)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000299135110 443964258 /nfs/dbraw/zinc/96/42/58/443964258.db2.gz OUFBZIZRIXHGBC-ZDUSSCGKSA-N 1 2 328.372 1.480 20 30 EDEDLO CC[N@@H+](CCOC)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000299135110 443964263 /nfs/dbraw/zinc/96/42/63/443964263.db2.gz OUFBZIZRIXHGBC-ZDUSSCGKSA-N 1 2 328.372 1.480 20 30 EDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000299398598 444037535 /nfs/dbraw/zinc/03/75/35/444037535.db2.gz USNFZZFBYDYWOZ-MRXNPFEDSA-N 1 2 339.439 1.603 20 30 EDEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000285517513 444013630 /nfs/dbraw/zinc/01/36/30/444013630.db2.gz GLFSCQUIMHHMDA-CQSZACIVSA-N 1 2 325.409 1.553 20 30 EDEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000285517513 444013631 /nfs/dbraw/zinc/01/36/31/444013631.db2.gz GLFSCQUIMHHMDA-CQSZACIVSA-N 1 2 325.409 1.553 20 30 EDEDLO N#CCCOCC[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000293592262 444064532 /nfs/dbraw/zinc/06/45/32/444064532.db2.gz UNQVQARAHBZRQA-UHFFFAOYSA-N 1 2 331.372 1.103 20 30 EDEDLO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000563105641 321096136 /nfs/dbraw/zinc/09/61/36/321096136.db2.gz DHEZULURODBDFI-JSGCOSHPSA-N 1 2 338.371 1.198 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)C1=O ZINC000282122662 444092302 /nfs/dbraw/zinc/09/23/02/444092302.db2.gz XWRXUQAUDVLCNQ-BZSNNMDCSA-N 1 2 330.428 1.598 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)C1=O ZINC000282122662 444092309 /nfs/dbraw/zinc/09/23/09/444092309.db2.gz XWRXUQAUDVLCNQ-BZSNNMDCSA-N 1 2 330.428 1.598 20 30 EDEDLO N#Cc1cccnc1OC1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000570769530 321356283 /nfs/dbraw/zinc/35/62/83/321356283.db2.gz KOWBQPQKXZEQEJ-UHFFFAOYSA-N 1 2 325.372 1.656 20 30 EDEDLO C#CCO[C@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000294520672 444119779 /nfs/dbraw/zinc/11/97/79/444119779.db2.gz IEOUMQGHQAROHR-ZWKOTPCHSA-N 1 2 344.455 1.774 20 30 EDEDLO C#CCO[C@H](C)C(=O)N1CCC[N@@H+](Cc2cnn(CCC)c2)CC1 ZINC000294705367 444139618 /nfs/dbraw/zinc/13/96/18/444139618.db2.gz TZVXAYSNWVQFAQ-MRXNPFEDSA-N 1 2 332.448 1.366 20 30 EDEDLO C#CCO[C@H](C)C(=O)N1CCC[N@H+](Cc2cnn(CCC)c2)CC1 ZINC000294705367 444139622 /nfs/dbraw/zinc/13/96/22/444139622.db2.gz TZVXAYSNWVQFAQ-MRXNPFEDSA-N 1 2 332.448 1.366 20 30 EDEDLO C#CCCOc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000295154303 444167202 /nfs/dbraw/zinc/16/72/02/444167202.db2.gz AMNSINQQSHSRRM-ZWKOTPCHSA-N 1 2 328.412 1.634 20 30 EDEDLO C#CCCOc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000295154303 444167205 /nfs/dbraw/zinc/16/72/05/444167205.db2.gz AMNSINQQSHSRRM-ZWKOTPCHSA-N 1 2 328.412 1.634 20 30 EDEDLO C#CCO[C@H](C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000294579728 444124183 /nfs/dbraw/zinc/12/41/83/444124183.db2.gz XWJBHIXHOPAXIM-OAHLLOKOSA-N 1 2 330.432 1.595 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000295641399 444190798 /nfs/dbraw/zinc/19/07/98/444190798.db2.gz PNUDZENUWPTANR-QGZVFWFLSA-N 1 2 331.416 1.243 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000295641399 444190800 /nfs/dbraw/zinc/19/08/00/444190800.db2.gz PNUDZENUWPTANR-QGZVFWFLSA-N 1 2 331.416 1.243 20 30 EDEDLO CC(C)n1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 ZINC000290220676 444255845 /nfs/dbraw/zinc/25/58/45/444255845.db2.gz WZGAOPHVENADLK-QGZVFWFLSA-N 1 2 338.415 1.621 20 30 EDEDLO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000328798643 444356846 /nfs/dbraw/zinc/35/68/46/444356846.db2.gz WWAGEOAAMGWIMA-CYBMUJFWSA-N 1 2 340.431 1.926 20 30 EDEDLO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000328798643 444356850 /nfs/dbraw/zinc/35/68/50/444356850.db2.gz WWAGEOAAMGWIMA-CYBMUJFWSA-N 1 2 340.431 1.926 20 30 EDEDLO C=CC[C@@H]1N(C(=O)C(=O)N(C)Cc2[nH+]ccn2C)CCCC1(C)C ZINC000297922641 444358630 /nfs/dbraw/zinc/35/86/30/444358630.db2.gz YJGIOLCECAAAHD-AWEZNQCLSA-N 1 2 332.448 1.972 20 30 EDEDLO N#CCCCCNC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340126883 444362681 /nfs/dbraw/zinc/36/26/81/444362681.db2.gz NPWHUJKREPDRGI-UHFFFAOYSA-N 1 2 339.399 1.358 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340222745 444372333 /nfs/dbraw/zinc/37/23/33/444372333.db2.gz OBDAHDWRTNIRQX-OCCSQVGLSA-N 1 2 346.456 1.697 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340222745 444372335 /nfs/dbraw/zinc/37/23/35/444372335.db2.gz OBDAHDWRTNIRQX-OCCSQVGLSA-N 1 2 346.456 1.697 20 30 EDEDLO CC[C@@H](C)n1ncc(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)c1C ZINC000331065648 444380566 /nfs/dbraw/zinc/38/05/66/444380566.db2.gz FMHIIXIRYUCRQP-CYBMUJFWSA-N 1 2 335.452 1.631 20 30 EDEDLO CC(=O)Nc1ccc(CC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000328914907 444400761 /nfs/dbraw/zinc/40/07/61/444400761.db2.gz QNWMOPLYBLCSPC-DLBZAZTESA-N 1 2 331.416 1.769 20 30 EDEDLO CC(=O)Nc1ccc(CC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000328914907 444400765 /nfs/dbraw/zinc/40/07/65/444400765.db2.gz QNWMOPLYBLCSPC-DLBZAZTESA-N 1 2 331.416 1.769 20 30 EDEDLO C[C@H](CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[S@](C)=O ZINC000331115207 444400791 /nfs/dbraw/zinc/40/07/91/444400791.db2.gz LPDHGYJGZQGNLC-BWFKNJDFSA-N 1 2 325.434 1.606 20 30 EDEDLO CC(C)[C@H]1C[N@H+](C)CCN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000331223678 444449751 /nfs/dbraw/zinc/44/97/51/444449751.db2.gz AGJGDXBNSYDLHM-QGZVFWFLSA-N 1 2 335.473 1.604 20 30 EDEDLO CC(C)[C@H]1C[N@@H+](C)CCN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000331223678 444449753 /nfs/dbraw/zinc/44/97/53/444449753.db2.gz AGJGDXBNSYDLHM-QGZVFWFLSA-N 1 2 335.473 1.604 20 30 EDEDLO COC[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC000331272601 444460683 /nfs/dbraw/zinc/46/06/83/444460683.db2.gz VMUYSDILOHGHRP-LJISPDSOSA-N 1 2 341.452 1.331 20 30 EDEDLO COC[C@@H]1C[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC000331272601 444460687 /nfs/dbraw/zinc/46/06/87/444460687.db2.gz VMUYSDILOHGHRP-LJISPDSOSA-N 1 2 341.452 1.331 20 30 EDEDLO CC(C)(CNC(=O)CN1CCO[C@@H]2CCC[C@@H]21)[NH+]1CCOCC1 ZINC000329089523 444469195 /nfs/dbraw/zinc/46/91/95/444469195.db2.gz IMOFGIRBYLMLEY-LSDHHAIUSA-N 1 2 325.453 1.307 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccccc3-n3cccn3)C[C@@H]21 ZINC000328969826 444428679 /nfs/dbraw/zinc/42/86/79/444428679.db2.gz UNYIDNSTFUBOPV-IRXDYDNUSA-N 1 2 341.415 1.823 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccccc3-n3cccn3)C[C@@H]21 ZINC000328969826 444428684 /nfs/dbraw/zinc/42/86/84/444428684.db2.gz UNYIDNSTFUBOPV-IRXDYDNUSA-N 1 2 341.415 1.823 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnc2n[nH]nc2c1)C1CCOCC1 ZINC000329178380 444492997 /nfs/dbraw/zinc/49/29/97/444492997.db2.gz MIULUDJBFWZVSK-ZDUSSCGKSA-N 1 2 341.375 1.559 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCCOCC1)C1CCOCC1 ZINC000329183999 444494695 /nfs/dbraw/zinc/49/46/95/444494695.db2.gz OFMJJAKJRFSYHZ-LSDHHAIUSA-N 1 2 336.436 1.961 20 30 EDEDLO CC(C)(CNC(=O)CN1CCSC[C@@H]1C(N)=O)[NH+]1CCOCC1 ZINC000329190597 444496535 /nfs/dbraw/zinc/49/65/35/444496535.db2.gz RXAQGBGNQWDHLI-GFCCVEGCSA-N 1 2 344.481 1.006 20 30 EDEDLO C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ncc(Br)cn1 ZINC000329114865 444476011 /nfs/dbraw/zinc/47/60/11/444476011.db2.gz MGVHBJDDKGQKMU-WPRPVWTQSA-N 1 2 329.198 1.587 20 30 EDEDLO C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ncc(Br)cn1 ZINC000329114865 444476014 /nfs/dbraw/zinc/47/60/14/444476014.db2.gz MGVHBJDDKGQKMU-WPRPVWTQSA-N 1 2 329.198 1.587 20 30 EDEDLO C[C@H](C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C)n1cnc(C#N)n1 ZINC000580569895 322069653 /nfs/dbraw/zinc/06/96/53/322069653.db2.gz IUGZRWHJIWIHIC-LLVKDONJSA-N 1 2 349.398 1.791 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332150375 444502271 /nfs/dbraw/zinc/50/22/71/444502271.db2.gz IJADMGJPUMAECE-STQMWFEESA-N 1 2 347.419 1.686 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332150375 444502274 /nfs/dbraw/zinc/50/22/74/444502274.db2.gz IJADMGJPUMAECE-STQMWFEESA-N 1 2 347.419 1.686 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000332150375 444502278 /nfs/dbraw/zinc/50/22/78/444502278.db2.gz IJADMGJPUMAECE-STQMWFEESA-N 1 2 347.419 1.686 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000332150375 444502281 /nfs/dbraw/zinc/50/22/81/444502281.db2.gz IJADMGJPUMAECE-STQMWFEESA-N 1 2 347.419 1.686 20 30 EDEDLO C[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)[C@@H]2CCCC[C@H]21 ZINC000332312498 444509396 /nfs/dbraw/zinc/50/93/96/444509396.db2.gz XSIVANKWEOVZCU-OWCLPIDISA-N 1 2 346.475 1.470 20 30 EDEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1=O ZINC000329261974 444515783 /nfs/dbraw/zinc/51/57/83/444515783.db2.gz DDMGQGGIRSGAGP-VDERGJSUSA-N 1 2 335.448 1.596 20 30 EDEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1=O ZINC000329261974 444515785 /nfs/dbraw/zinc/51/57/85/444515785.db2.gz DDMGQGGIRSGAGP-VDERGJSUSA-N 1 2 335.448 1.596 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCN3CCOC[C@@H]3C2)cc1OC ZINC000329416746 444571219 /nfs/dbraw/zinc/57/12/19/444571219.db2.gz GGJYQYSANHFUQP-HIFRSBDPSA-N 1 2 349.431 1.697 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCN3CCOC[C@@H]3C2)cc1OC ZINC000329416746 444571224 /nfs/dbraw/zinc/57/12/24/444571224.db2.gz GGJYQYSANHFUQP-HIFRSBDPSA-N 1 2 349.431 1.697 20 30 EDEDLO O=C(NCCNC(=O)C1([NH+]2CCOCC2)CCC1)c1cccs1 ZINC000329340307 444541432 /nfs/dbraw/zinc/54/14/32/444541432.db2.gz RMUCEVJUEXWJIC-UHFFFAOYSA-N 1 2 337.445 1.689 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000338320376 444630792 /nfs/dbraw/zinc/63/07/92/444630792.db2.gz LJISCFJTGXVGGX-SUMWQHHRSA-N 1 2 348.451 1.369 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000338320376 444630793 /nfs/dbraw/zinc/63/07/93/444630793.db2.gz LJISCFJTGXVGGX-SUMWQHHRSA-N 1 2 348.451 1.369 20 30 EDEDLO O=C(NCC#Cc1cccc(F)c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000338245018 444585566 /nfs/dbraw/zinc/58/55/66/444585566.db2.gz FUEKZGUMRUYHLO-GOSISDBHSA-N 1 2 330.403 1.937 20 30 EDEDLO O=C(NCC#Cc1cccc(F)c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000338245018 444585570 /nfs/dbraw/zinc/58/55/70/444585570.db2.gz FUEKZGUMRUYHLO-GOSISDBHSA-N 1 2 330.403 1.937 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329451882 444585780 /nfs/dbraw/zinc/58/57/80/444585780.db2.gz OYXIRRSHZTZYTB-ZFWWWQNUSA-N 1 2 347.415 1.451 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329451882 444585784 /nfs/dbraw/zinc/58/57/84/444585784.db2.gz OYXIRRSHZTZYTB-ZFWWWQNUSA-N 1 2 347.415 1.451 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1C#N ZINC000329468082 444592697 /nfs/dbraw/zinc/59/26/97/444592697.db2.gz XCPVSFGLLSAWCO-GWCFXTLKSA-N 1 2 332.429 1.547 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1C#N ZINC000329468082 444592701 /nfs/dbraw/zinc/59/27/01/444592701.db2.gz XCPVSFGLLSAWCO-GWCFXTLKSA-N 1 2 332.429 1.547 20 30 EDEDLO CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@@H]1COC[C@H]1O ZINC000329470651 444593779 /nfs/dbraw/zinc/59/37/79/444593779.db2.gz YYQSHXNIFRFSSO-JHJVBQTASA-N 1 2 336.436 1.101 20 30 EDEDLO C[C@@H](NS(=O)(=O)CC1(C#N)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000329631290 444656392 /nfs/dbraw/zinc/65/63/92/444656392.db2.gz RJBMTJOJSKDBHX-CQSZACIVSA-N 1 2 341.477 1.243 20 30 EDEDLO COc1ccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(F)c1 ZINC000343902400 444657098 /nfs/dbraw/zinc/65/70/98/444657098.db2.gz UETVAQSKNLITJC-UHFFFAOYSA-N 1 2 349.406 1.451 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000329577034 444634736 /nfs/dbraw/zinc/63/47/36/444634736.db2.gz VYQAKPMPUPFUAA-OAGGEKHMSA-N 1 2 337.464 1.797 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000329585586 444638902 /nfs/dbraw/zinc/63/89/02/444638902.db2.gz WLYRMCZAGDIYNJ-HUUCEWRRSA-N 1 2 344.477 1.554 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000329585586 444638908 /nfs/dbraw/zinc/63/89/08/444638908.db2.gz WLYRMCZAGDIYNJ-HUUCEWRRSA-N 1 2 344.477 1.554 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)C[C@@H]21 ZINC000329930125 444773861 /nfs/dbraw/zinc/77/38/61/444773861.db2.gz ODEIIXLXXHJNJX-SWLSCSKDSA-N 1 2 333.388 1.754 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)C[C@@H]21 ZINC000329930125 444773865 /nfs/dbraw/zinc/77/38/65/444773865.db2.gz ODEIIXLXXHJNJX-SWLSCSKDSA-N 1 2 333.388 1.754 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)CC1 ZINC000329943099 444779341 /nfs/dbraw/zinc/77/93/41/444779341.db2.gz VYDLZKIVZUIPNE-UHFFFAOYSA-N 1 2 346.431 1.789 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)CC1 ZINC000329943099 444779344 /nfs/dbraw/zinc/77/93/44/444779344.db2.gz VYDLZKIVZUIPNE-UHFFFAOYSA-N 1 2 346.431 1.789 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCCO1 ZINC000329994541 444803970 /nfs/dbraw/zinc/80/39/70/444803970.db2.gz ZIKLXRUZGXKHCG-LLVKDONJSA-N 1 2 334.355 1.500 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCCO1 ZINC000329994541 444803973 /nfs/dbraw/zinc/80/39/73/444803973.db2.gz ZIKLXRUZGXKHCG-LLVKDONJSA-N 1 2 334.355 1.500 20 30 EDEDLO Cc1nccc(NC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000329957688 444786125 /nfs/dbraw/zinc/78/61/25/444786125.db2.gz PMSAEFMUOWAFFW-STQMWFEESA-N 1 2 347.398 1.457 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccccc3N3CCCC3=O)C[C@H]21 ZINC000329966969 444791581 /nfs/dbraw/zinc/79/15/81/444791581.db2.gz SFLLKADXEBZTJE-CVEARBPZSA-N 1 2 344.415 1.374 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccccc3N3CCCC3=O)C[C@H]21 ZINC000329966969 444791585 /nfs/dbraw/zinc/79/15/85/444791585.db2.gz SFLLKADXEBZTJE-CVEARBPZSA-N 1 2 344.415 1.374 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NCCc2ccncc2)CC1 ZINC000330081567 444838038 /nfs/dbraw/zinc/83/80/38/444838038.db2.gz KADWABNAKPWNLO-CQSZACIVSA-N 1 2 345.447 1.663 20 30 EDEDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CSc2n[nH]c(=O)[nH]2)C[C@H](C)O1 ZINC000330084250 444838463 /nfs/dbraw/zinc/83/84/63/444838463.db2.gz BUZYJEQITHQBIL-AOOOYVTPSA-N 1 2 343.453 1.447 20 30 EDEDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CSc2n[nH]c(=O)[nH]2)C[C@H](C)O1 ZINC000330084250 444838466 /nfs/dbraw/zinc/83/84/66/444838466.db2.gz BUZYJEQITHQBIL-AOOOYVTPSA-N 1 2 343.453 1.447 20 30 EDEDLO C=CCC1(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)CCC1 ZINC000330083451 444838601 /nfs/dbraw/zinc/83/86/01/444838601.db2.gz HJPLOCDBJKYTIR-INIZCTEOSA-N 1 2 349.475 1.124 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330143877 444861118 /nfs/dbraw/zinc/86/11/18/444861118.db2.gz ZFHGZSOTSKPRNF-HSMVNMDESA-N 1 2 325.409 1.678 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330143877 444861123 /nfs/dbraw/zinc/86/11/23/444861123.db2.gz ZFHGZSOTSKPRNF-HSMVNMDESA-N 1 2 325.409 1.678 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000330218866 444892916 /nfs/dbraw/zinc/89/29/16/444892916.db2.gz JSUPWROHXSRYLY-CYBMUJFWSA-N 1 2 338.452 1.934 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CCOC3(CCC3)C2)CC1 ZINC000330218867 444893297 /nfs/dbraw/zinc/89/32/97/444893297.db2.gz JSUPWROHXSRYLY-ZDUSSCGKSA-N 1 2 338.452 1.934 20 30 EDEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000330243314 444903605 /nfs/dbraw/zinc/90/36/05/444903605.db2.gz COSVAUWMNGJBDL-GOEBONIOSA-N 1 2 330.432 1.796 20 30 EDEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000330243314 444903607 /nfs/dbraw/zinc/90/36/07/444903607.db2.gz COSVAUWMNGJBDL-GOEBONIOSA-N 1 2 330.432 1.796 20 30 EDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(C(C)=O)C1 ZINC000330283281 444922325 /nfs/dbraw/zinc/92/23/25/444922325.db2.gz WBBASFWMAQHVKZ-CABCVRRESA-N 1 2 333.436 1.965 20 30 EDEDLO Cc1c([C@@H]2[C@@H](C(=O)NCCc3[nH]cc[nH+]3)CC(=O)N2C)cnn1C ZINC000330314460 444933000 /nfs/dbraw/zinc/93/30/00/444933000.db2.gz XXOFIDKLDPXRPQ-NHYWBVRUSA-N 1 2 330.392 1.170 20 30 EDEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)Cc1ccc(C#N)cc1F)CC2 ZINC000616430845 450420200 /nfs/dbraw/zinc/42/02/00/450420200.db2.gz JJTSQGRPOLPFPO-UHFFFAOYSA-N 1 2 334.376 1.548 20 30 EDEDLO Cc1cc(C)n([C@H](C)CC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000343040892 445023517 /nfs/dbraw/zinc/02/35/17/445023517.db2.gz UZKJPQYTBFVCTK-QGZVFWFLSA-N 1 2 347.463 1.526 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000337201711 444983685 /nfs/dbraw/zinc/98/36/85/444983685.db2.gz DHHHOSWINAFWNQ-STQMWFEESA-N 1 2 347.381 1.506 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000337201711 444983692 /nfs/dbraw/zinc/98/36/92/444983692.db2.gz DHHHOSWINAFWNQ-STQMWFEESA-N 1 2 347.381 1.506 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CC)Cc2ccccc2)C1=O ZINC000337204606 444984970 /nfs/dbraw/zinc/98/49/70/444984970.db2.gz IAEJKFQQJJJDBW-KRWDZBQOSA-N 1 2 329.444 1.754 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CC)Cc2ccccc2)C1=O ZINC000337204606 444984976 /nfs/dbraw/zinc/98/49/76/444984976.db2.gz IAEJKFQQJJJDBW-KRWDZBQOSA-N 1 2 329.444 1.754 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)c2cnccc2C#N)C1 ZINC000343098267 445063229 /nfs/dbraw/zinc/06/32/29/445063229.db2.gz SIYZMMXNTHZFTM-AWEZNQCLSA-N 1 2 337.383 1.708 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337441054 445081660 /nfs/dbraw/zinc/08/16/60/445081660.db2.gz GBYRRBPMGJXMEL-CVEARBPZSA-N 1 2 339.457 1.274 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337441054 445081665 /nfs/dbraw/zinc/08/16/65/445081665.db2.gz GBYRRBPMGJXMEL-CVEARBPZSA-N 1 2 339.457 1.274 20 30 EDEDLO COCc1cc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)ncn1 ZINC000330663758 445086666 /nfs/dbraw/zinc/08/66/66/445086666.db2.gz UAASPIYVQKTEKE-UHFFFAOYSA-N 1 2 336.396 1.100 20 30 EDEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CCC(C#N)CC1 ZINC000330569825 445040098 /nfs/dbraw/zinc/04/00/98/445040098.db2.gz MFCJWDTXNRJADV-UHFFFAOYSA-N 1 2 349.456 1.398 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000330702723 445103334 /nfs/dbraw/zinc/10/33/34/445103334.db2.gz KDDUCMPNQPDRFJ-KSSFIOAISA-N 1 2 347.438 1.786 20 30 EDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000339761640 445168011 /nfs/dbraw/zinc/16/80/11/445168011.db2.gz STQBTALTQZZRAD-GFCCVEGCSA-N 1 2 346.383 1.542 20 30 EDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000339761640 445168014 /nfs/dbraw/zinc/16/80/14/445168014.db2.gz STQBTALTQZZRAD-GFCCVEGCSA-N 1 2 346.383 1.542 20 30 EDEDLO C[C@H](COCC(F)(F)F)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000330882570 445179124 /nfs/dbraw/zinc/17/91/24/445179124.db2.gz CTZLDSGAWBNUIL-VXGBXAGGSA-N 1 2 339.358 1.274 20 30 EDEDLO COc1ccc(C(=O)NCC[NH+]2CCN(CC3(C#N)CC3)CC2)cc1 ZINC000343302735 445189719 /nfs/dbraw/zinc/18/97/19/445189719.db2.gz MKBQXHARKQTLKK-UHFFFAOYSA-N 1 2 342.443 1.346 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)c1 ZINC000330806076 445148832 /nfs/dbraw/zinc/14/88/32/445148832.db2.gz IYWRWKZZYJUVSX-CQSZACIVSA-N 1 2 327.306 1.886 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)c1 ZINC000330806076 445148835 /nfs/dbraw/zinc/14/88/35/445148835.db2.gz IYWRWKZZYJUVSX-CQSZACIVSA-N 1 2 327.306 1.886 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000330946429 445199177 /nfs/dbraw/zinc/19/91/77/445199177.db2.gz KYQPTHRECJFVEI-MWLCHTKSSA-N 1 2 325.800 1.270 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000330946429 445199179 /nfs/dbraw/zinc/19/91/79/445199179.db2.gz KYQPTHRECJFVEI-MWLCHTKSSA-N 1 2 325.800 1.270 20 30 EDEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347528586 445241519 /nfs/dbraw/zinc/24/15/19/445241519.db2.gz NBXYIZFCPNFZFR-HNNXBMFYSA-N 1 2 347.463 1.269 20 30 EDEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347528586 445241520 /nfs/dbraw/zinc/24/15/20/445241520.db2.gz NBXYIZFCPNFZFR-HNNXBMFYSA-N 1 2 347.463 1.269 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348304264 445248750 /nfs/dbraw/zinc/24/87/50/445248750.db2.gz GTTBCDIUYVNZSH-MRXNPFEDSA-N 1 2 332.835 1.824 20 30 EDEDLO CN1CC[NH+](CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000359678877 445371957 /nfs/dbraw/zinc/37/19/57/445371957.db2.gz IIMHYJCBPFEAHP-UHFFFAOYSA-N 1 2 340.387 1.674 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@H](F)C[C@H]1CNc1cnc(C#N)cn1 ZINC000349033163 445482346 /nfs/dbraw/zinc/48/23/46/445482346.db2.gz GWGWCXVUFMUFFW-OCCSQVGLSA-N 1 2 330.367 1.978 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@H](F)C[C@H]1CNc1cnc(C#N)cn1 ZINC000349033163 445482354 /nfs/dbraw/zinc/48/23/54/445482354.db2.gz GWGWCXVUFMUFFW-OCCSQVGLSA-N 1 2 330.367 1.978 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000348990199 445468046 /nfs/dbraw/zinc/46/80/46/445468046.db2.gz DWFZKTOEPCLIBJ-UHFFFAOYSA-N 1 2 326.400 1.913 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000352464447 445530800 /nfs/dbraw/zinc/53/08/00/445530800.db2.gz TYSGHNBCDNLTFA-UHFFFAOYSA-N 1 2 349.406 1.990 20 30 EDEDLO COc1ccc(CCNC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000352490032 445533283 /nfs/dbraw/zinc/53/32/83/445533283.db2.gz FZPRSFMTRWHRHO-UHFFFAOYSA-N 1 2 349.406 1.690 20 30 EDEDLO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000359937540 445496739 /nfs/dbraw/zinc/49/67/39/445496739.db2.gz IWMMOAICSMHYGQ-PBHICJAKSA-N 1 2 328.416 1.735 20 30 EDEDLO C=CC[N@@H+](CC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000357554850 445565640 /nfs/dbraw/zinc/56/56/40/445565640.db2.gz QVCFVKFVPCIKMW-HNNXBMFYSA-N 1 2 328.478 1.453 20 30 EDEDLO C=CC[N@H+](CC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000357554850 445565644 /nfs/dbraw/zinc/56/56/44/445565644.db2.gz QVCFVKFVPCIKMW-HNNXBMFYSA-N 1 2 328.478 1.453 20 30 EDEDLO Cn1ncc(C(=O)NC[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cccs2)c1C#N ZINC000356103050 445623103 /nfs/dbraw/zinc/62/31/03/445623103.db2.gz TZADUCMMBANLJU-NEPJUHHUSA-N 1 2 347.419 1.696 20 30 EDEDLO Cn1ncc(C(=O)NC[C@@H]2C[C@@H](F)C[N@H+]2Cc2cccs2)c1C#N ZINC000356103050 445623106 /nfs/dbraw/zinc/62/31/06/445623106.db2.gz TZADUCMMBANLJU-NEPJUHHUSA-N 1 2 347.419 1.696 20 30 EDEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000356057718 445595325 /nfs/dbraw/zinc/59/53/25/445595325.db2.gz BVHLAJHSKYMKOZ-VHSXEESVSA-N 1 2 329.372 1.550 20 30 EDEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000356057718 445595327 /nfs/dbraw/zinc/59/53/27/445595327.db2.gz BVHLAJHSKYMKOZ-VHSXEESVSA-N 1 2 329.372 1.550 20 30 EDEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@@H+]1C ZINC000362892721 445598516 /nfs/dbraw/zinc/59/85/16/445598516.db2.gz JKAUSMOBSROOSJ-AWEZNQCLSA-N 1 2 325.409 1.658 20 30 EDEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@H+]1C ZINC000362892721 445598520 /nfs/dbraw/zinc/59/85/20/445598520.db2.gz JKAUSMOBSROOSJ-AWEZNQCLSA-N 1 2 325.409 1.658 20 30 EDEDLO Cn1ncc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1C#N ZINC000356143461 445644302 /nfs/dbraw/zinc/64/43/02/445644302.db2.gz CSDYLYHXLUYTDM-CQSZACIVSA-N 1 2 333.342 1.603 20 30 EDEDLO C=CCN(C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C1CC1 ZINC000363025548 445654588 /nfs/dbraw/zinc/65/45/88/445654588.db2.gz MFEMRKWHHUHMTQ-INIZCTEOSA-N 1 2 325.478 1.554 20 30 EDEDLO CCCCNC(=O)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360287293 445678060 /nfs/dbraw/zinc/67/80/60/445678060.db2.gz SUPNMRJJNQFLGS-KRWDZBQOSA-N 1 2 342.443 1.713 20 30 EDEDLO CCOC(C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)OCC ZINC000363833822 445878295 /nfs/dbraw/zinc/87/82/95/445878295.db2.gz LFOOAZDCGNPCMM-UGSOOPFHSA-N 1 2 329.400 1.731 20 30 EDEDLO CCOC(C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)OCC ZINC000363833822 445878298 /nfs/dbraw/zinc/87/82/98/445878298.db2.gz LFOOAZDCGNPCMM-UGSOOPFHSA-N 1 2 329.400 1.731 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000363524915 445843781 /nfs/dbraw/zinc/84/37/81/445843781.db2.gz JDPVAMZSVNITAS-QGZVFWFLSA-N 1 2 340.427 1.974 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000363524915 445843786 /nfs/dbraw/zinc/84/37/86/445843786.db2.gz JDPVAMZSVNITAS-QGZVFWFLSA-N 1 2 340.427 1.974 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000356731573 445973712 /nfs/dbraw/zinc/97/37/12/445973712.db2.gz RHNIZCRBLAMPEY-KGLIPLIRSA-N 1 2 342.378 1.029 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCN4C(=O)OC[C@H]4C3)C2=O)cc1 ZINC000365016440 445974877 /nfs/dbraw/zinc/97/48/77/445974877.db2.gz UMURMIGGALAZSR-CVEARBPZSA-N 1 2 340.383 1.190 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCN4C(=O)OC[C@H]4C3)C2=O)cc1 ZINC000365016440 445974880 /nfs/dbraw/zinc/97/48/80/445974880.db2.gz UMURMIGGALAZSR-CVEARBPZSA-N 1 2 340.383 1.190 20 30 EDEDLO N#Cc1ncn(-c2ccccc2NC(=O)Cc2cn3ccccc3[nH+]2)n1 ZINC000366060932 445988890 /nfs/dbraw/zinc/98/88/90/445988890.db2.gz NGPXDRGSQPXIIW-UHFFFAOYSA-N 1 2 343.350 1.968 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000366244404 446103005 /nfs/dbraw/zinc/10/30/05/446103005.db2.gz GURVOSAIBCYSQK-NWPKHEMWSA-N 1 2 348.447 1.442 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000366244404 446103010 /nfs/dbraw/zinc/10/30/10/446103010.db2.gz GURVOSAIBCYSQK-NWPKHEMWSA-N 1 2 348.447 1.442 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCNC(=O)C[C@@H]2C)c1 ZINC000369441907 446121551 /nfs/dbraw/zinc/12/15/51/446121551.db2.gz WPSHYMYUKOJUCB-INIZCTEOSA-N 1 2 342.443 1.761 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCNC(=O)C[C@@H]2C)c1 ZINC000369441907 446121556 /nfs/dbraw/zinc/12/15/56/446121556.db2.gz WPSHYMYUKOJUCB-INIZCTEOSA-N 1 2 342.443 1.761 20 30 EDEDLO CCOC(=O)CCC[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000369519287 446128107 /nfs/dbraw/zinc/12/81/07/446128107.db2.gz LUZFYANWTVDBAM-SCLBCKFNSA-N 1 2 327.384 1.675 20 30 EDEDLO CCOC(=O)CCC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000369519287 446128110 /nfs/dbraw/zinc/12/81/10/446128110.db2.gz LUZFYANWTVDBAM-SCLBCKFNSA-N 1 2 327.384 1.675 20 30 EDEDLO COCc1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000359376336 446182475 /nfs/dbraw/zinc/18/24/75/446182475.db2.gz JNEAPYUBRNDMBL-UHFFFAOYSA-N 1 2 341.371 1.046 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366414535 446200010 /nfs/dbraw/zinc/20/00/10/446200010.db2.gz JBOATUVHVUGYGR-OAHLLOKOSA-N 1 2 328.478 1.476 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366414535 446200016 /nfs/dbraw/zinc/20/00/16/446200016.db2.gz JBOATUVHVUGYGR-OAHLLOKOSA-N 1 2 328.478 1.476 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000362136325 446230834 /nfs/dbraw/zinc/23/08/34/446230834.db2.gz WPHLNBYELMSPMX-UKRRQHHQSA-N 1 2 349.456 1.814 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000362136325 446230835 /nfs/dbraw/zinc/23/08/35/446230835.db2.gz WPHLNBYELMSPMX-UKRRQHHQSA-N 1 2 349.456 1.814 20 30 EDEDLO C=CCCOCCNC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000366752557 446335060 /nfs/dbraw/zinc/33/50/60/446335060.db2.gz AIDVHBIZDLBCDQ-UHFFFAOYSA-N 1 2 338.477 1.999 20 30 EDEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NCC(=O)OC ZINC000411198552 446426243 /nfs/dbraw/zinc/42/62/43/446426243.db2.gz YIGWTXCOJZDEHZ-GFCCVEGCSA-N 1 2 335.360 1.261 20 30 EDEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NCC(=O)OC ZINC000411198552 446426245 /nfs/dbraw/zinc/42/62/45/446426245.db2.gz YIGWTXCOJZDEHZ-GFCCVEGCSA-N 1 2 335.360 1.261 20 30 EDEDLO C=CCC(C)(C)CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000432963267 446520889 /nfs/dbraw/zinc/52/08/89/446520889.db2.gz ZTJSAZFKFFSZRA-UHFFFAOYSA-N 1 2 335.452 1.939 20 30 EDEDLO C=CCCOCCCCC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000433121260 446533980 /nfs/dbraw/zinc/53/39/80/446533980.db2.gz NAULKTGOZYCAFB-MRXNPFEDSA-N 1 2 334.464 1.998 20 30 EDEDLO COC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCCO1 ZINC000434799782 446661133 /nfs/dbraw/zinc/66/11/33/446661133.db2.gz WGPWYLVXBBWGFA-HUUCEWRRSA-N 1 2 328.372 1.892 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000438452699 446794081 /nfs/dbraw/zinc/79/40/81/446794081.db2.gz WLMPYNMKSSQMMU-PMPSAXMXSA-N 1 2 325.453 1.378 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000438452699 446794089 /nfs/dbraw/zinc/79/40/89/446794089.db2.gz WLMPYNMKSSQMMU-PMPSAXMXSA-N 1 2 325.453 1.378 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1C#N ZINC000438563524 446795726 /nfs/dbraw/zinc/79/57/26/446795726.db2.gz VAAQIILQJLCRJR-UHFFFAOYSA-N 1 2 334.445 1.937 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000439380901 446813425 /nfs/dbraw/zinc/81/34/25/446813425.db2.gz AGBGPKBTJGIRJW-CQSZACIVSA-N 1 2 345.447 1.945 20 30 EDEDLO Cn1cc[nH+]c1CN1CCCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000377031702 446873135 /nfs/dbraw/zinc/87/31/35/446873135.db2.gz OOIFPPHVMHYQPI-UHFFFAOYSA-N 1 2 346.479 1.967 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CCCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000377031702 446873140 /nfs/dbraw/zinc/87/31/40/446873140.db2.gz OOIFPPHVMHYQPI-UHFFFAOYSA-N 1 2 346.479 1.967 20 30 EDEDLO Cn1ccnc1C[N@H+]1CCCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000377031702 446873147 /nfs/dbraw/zinc/87/31/47/446873147.db2.gz OOIFPPHVMHYQPI-UHFFFAOYSA-N 1 2 346.479 1.967 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000424571877 446896911 /nfs/dbraw/zinc/89/69/11/446896911.db2.gz XKWAHVLHOYYDJY-UHFFFAOYSA-N 1 2 328.420 1.614 20 30 EDEDLO N#Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1O ZINC000442636778 446919097 /nfs/dbraw/zinc/91/90/97/446919097.db2.gz UTMLCSRVCKPBPK-UHFFFAOYSA-N 1 2 338.367 1.425 20 30 EDEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000372166265 447021749 /nfs/dbraw/zinc/02/17/49/447021749.db2.gz FGNFOIQZXWYBLF-MELADBBJSA-N 1 2 349.456 1.304 20 30 EDEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000372166265 447021755 /nfs/dbraw/zinc/02/17/55/447021755.db2.gz FGNFOIQZXWYBLF-MELADBBJSA-N 1 2 349.456 1.304 20 30 EDEDLO COc1cc(C[N@@H+]2CCO[C@@H](Cn3nc(C)nc3C)C2)ccc1C#N ZINC000442886233 446990272 /nfs/dbraw/zinc/99/02/72/446990272.db2.gz QEJGLYFNGMNAHE-QGZVFWFLSA-N 1 2 341.415 1.676 20 30 EDEDLO COc1cc(C[N@H+]2CCO[C@@H](Cn3nc(C)nc3C)C2)ccc1C#N ZINC000442886233 446990278 /nfs/dbraw/zinc/99/02/78/446990278.db2.gz QEJGLYFNGMNAHE-QGZVFWFLSA-N 1 2 341.415 1.676 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000372536568 447117996 /nfs/dbraw/zinc/11/79/96/447117996.db2.gz FAHJXUAOHZOEFH-LSDHHAIUSA-N 1 2 346.479 2.019 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000372536568 447117999 /nfs/dbraw/zinc/11/79/99/447117999.db2.gz FAHJXUAOHZOEFH-LSDHHAIUSA-N 1 2 346.479 2.019 20 30 EDEDLO C=CCn1cc(CNC(=O)NCCc2cn3ccccc3[nH+]2)nn1 ZINC000425398193 447144188 /nfs/dbraw/zinc/14/41/88/447144188.db2.gz NJMVXNMXXGMYLM-UHFFFAOYSA-N 1 2 325.376 1.154 20 30 EDEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000368853312 447159695 /nfs/dbraw/zinc/15/96/95/447159695.db2.gz JFVGVQPBZCFZPS-KRWDZBQOSA-N 1 2 328.416 1.230 20 30 EDEDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000368853312 447159699 /nfs/dbraw/zinc/15/96/99/447159699.db2.gz JFVGVQPBZCFZPS-KRWDZBQOSA-N 1 2 328.416 1.230 20 30 EDEDLO N#CCOc1cccc(CC(=O)Nc2c[nH+]ccc2-n2ccnn2)c1 ZINC000377436830 447131305 /nfs/dbraw/zinc/13/13/05/447131305.db2.gz UFSJVSBIMSFXJR-UHFFFAOYSA-N 1 2 334.339 1.746 20 30 EDEDLO CCn1cc(-c2ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc2)nn1 ZINC000414126710 447276507 /nfs/dbraw/zinc/27/65/07/447276507.db2.gz OUUXWBVUAKBTQA-OAHLLOKOSA-N 1 2 329.404 1.550 20 30 EDEDLO CCn1cc(-c2ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc2)nn1 ZINC000414126710 447276513 /nfs/dbraw/zinc/27/65/13/447276513.db2.gz OUUXWBVUAKBTQA-OAHLLOKOSA-N 1 2 329.404 1.550 20 30 EDEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000422308300 447461911 /nfs/dbraw/zinc/46/19/11/447461911.db2.gz PXIYBYQOVKYCAA-OAHLLOKOSA-N 1 2 326.400 1.340 20 30 EDEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)c1 ZINC000450895574 447608105 /nfs/dbraw/zinc/60/81/05/447608105.db2.gz JYUIBUJPDJKECR-ZDUSSCGKSA-N 1 2 341.371 1.855 20 30 EDEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)c1 ZINC000450895574 447608111 /nfs/dbraw/zinc/60/81/11/447608111.db2.gz JYUIBUJPDJKECR-ZDUSSCGKSA-N 1 2 341.371 1.855 20 30 EDEDLO C[C@@H]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000459184362 447608415 /nfs/dbraw/zinc/60/84/15/447608415.db2.gz XXNWJHWXQTUJPW-QAPCUYQASA-N 1 2 342.443 1.953 20 30 EDEDLO CC(C)C[C@H](CNS(=O)(=O)CC(C)(C)CC#N)[NH+]1CCOCC1 ZINC000451015056 447650604 /nfs/dbraw/zinc/65/06/04/447650604.db2.gz JLGQZUUNUSGNKL-OAHLLOKOSA-N 1 2 345.509 1.593 20 30 EDEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000451202651 447704547 /nfs/dbraw/zinc/70/45/47/447704547.db2.gz XTUFHASDMRKKAE-IAGOWNOFSA-N 1 2 348.397 1.578 20 30 EDEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000451202651 447704552 /nfs/dbraw/zinc/70/45/52/447704552.db2.gz XTUFHASDMRKKAE-IAGOWNOFSA-N 1 2 348.397 1.578 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000459858495 447770098 /nfs/dbraw/zinc/77/00/98/447770098.db2.gz FXDSROLKJOKJRW-ZDUSSCGKSA-N 1 2 334.445 1.010 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(CC#N)cc1)C2 ZINC000552148594 447937125 /nfs/dbraw/zinc/93/71/25/447937125.db2.gz VEVMCTNCHIAJAF-MRXNPFEDSA-N 1 2 338.411 1.537 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](CC(=O)Nc1ccn(CCC#N)n1)C(F)(F)F ZINC000553461080 447993849 /nfs/dbraw/zinc/99/38/49/447993849.db2.gz FQFYWDCYMDAOEP-SNVBAGLBSA-N 1 2 340.309 2.205 20 30 EDEDLO C#C[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000491340001 447999545 /nfs/dbraw/zinc/99/95/45/447999545.db2.gz USFCFKJELIMEJP-CPUCHLNUSA-N 1 2 333.407 1.908 20 30 EDEDLO N#CCC1(O)C[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000576577271 448088089 /nfs/dbraw/zinc/08/80/89/448088089.db2.gz FEFHPQNINQCMCK-UHFFFAOYSA-N 1 2 342.399 1.102 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)NCC(C)(C)CC#N)ccc2n1C ZINC000571025140 448096407 /nfs/dbraw/zinc/09/64/07/448096407.db2.gz JXTRJRSXTNVXHP-UHFFFAOYSA-N 1 2 327.388 1.876 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505608556 448121123 /nfs/dbraw/zinc/12/11/23/448121123.db2.gz JGRZSASUGUEQQE-UHFFFAOYSA-N 1 2 336.367 1.154 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000531698389 448129242 /nfs/dbraw/zinc/12/92/42/448129242.db2.gz ZHCSMWGPGOWDBJ-AWEZNQCLSA-N 1 2 345.399 1.115 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000531698389 448129248 /nfs/dbraw/zinc/12/92/48/448129248.db2.gz ZHCSMWGPGOWDBJ-AWEZNQCLSA-N 1 2 345.399 1.115 20 30 EDEDLO Cc1nsc(N2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)n1 ZINC000527047484 448146755 /nfs/dbraw/zinc/14/67/55/448146755.db2.gz QTMYBDMSSJMCRU-LBPRGKRZSA-N 1 2 348.476 1.310 20 30 EDEDLO Cc1nsc(N2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)n1 ZINC000527047484 448146761 /nfs/dbraw/zinc/14/67/61/448146761.db2.gz QTMYBDMSSJMCRU-LBPRGKRZSA-N 1 2 348.476 1.310 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000527297265 448204958 /nfs/dbraw/zinc/20/49/58/448204958.db2.gz VDWSPXQLBITXSU-JKSUJKDBSA-N 1 2 341.459 1.711 20 30 EDEDLO N#CC1(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000559276604 448208337 /nfs/dbraw/zinc/20/83/37/448208337.db2.gz SOEGELQMWTYZNR-AWEZNQCLSA-N 1 2 329.404 1.190 20 30 EDEDLO N#CC1(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000559276604 448208341 /nfs/dbraw/zinc/20/83/41/448208341.db2.gz SOEGELQMWTYZNR-AWEZNQCLSA-N 1 2 329.404 1.190 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)s1 ZINC000577091484 448209668 /nfs/dbraw/zinc/20/96/68/448209668.db2.gz ABGOSJOWWKDIPR-OLZOCXBDSA-N 1 2 334.445 1.624 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000577193538 448232717 /nfs/dbraw/zinc/23/27/17/448232717.db2.gz IHHCJULIRXIGMF-KURKYZTESA-N 1 2 345.443 1.703 20 30 EDEDLO CCOC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)nc1 ZINC000591020227 448234666 /nfs/dbraw/zinc/23/46/66/448234666.db2.gz XFLPIEWYRULGKT-QGZVFWFLSA-N 1 2 330.432 1.924 20 30 EDEDLO CC(=O)CCc1ccc(OCCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000563220413 448291748 /nfs/dbraw/zinc/29/17/48/448291748.db2.gz NDCKPPNAOGOOLQ-LJQANCHMSA-N 1 2 345.443 1.937 20 30 EDEDLO N#CC1(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000565577255 448371613 /nfs/dbraw/zinc/37/16/13/448371613.db2.gz JEIXQKKIBJMUFV-UHFFFAOYSA-N 1 2 337.383 1.945 20 30 EDEDLO N#Cc1cc2c(nc1NC1CCN(c3cccc[nH+]3)CC1)CCOC2 ZINC000577585708 448332450 /nfs/dbraw/zinc/33/24/50/448332450.db2.gz HFWOFWXDQRDWPE-UHFFFAOYSA-N 1 2 335.411 2.502 20 30 EDEDLO CC1CCC(N2C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC2=O)CC1 ZINC000564556485 448332547 /nfs/dbraw/zinc/33/25/47/448332547.db2.gz BYZIIDBZXOTUHA-AMGHTJPVSA-N 1 2 334.464 1.374 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000572461895 448383856 /nfs/dbraw/zinc/38/38/56/448383856.db2.gz ZKNQYVKSPANNPZ-ZWKOTPCHSA-N 1 2 349.438 1.740 20 30 EDEDLO COc1cc(/C=C\C(=O)NCc2c[nH+]cn2C)ccc1OCC#N ZINC000493385664 448389227 /nfs/dbraw/zinc/38/92/27/448389227.db2.gz MYSMXBHQDBLJMS-XQRVVYSFSA-N 1 2 326.356 1.661 20 30 EDEDLO C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1nc(C2CCCCC2)no1 ZINC000578063845 448451333 /nfs/dbraw/zinc/45/13/33/448451333.db2.gz BEXSJSCZHWEYFA-HIFRSBDPSA-N 1 2 335.452 1.974 20 30 EDEDLO C[C@@H](NC[C@H](O)C[N@H+](C)CCC#N)c1nc(C2CCCCC2)no1 ZINC000578063845 448451336 /nfs/dbraw/zinc/45/13/36/448451336.db2.gz BEXSJSCZHWEYFA-HIFRSBDPSA-N 1 2 335.452 1.974 20 30 EDEDLO C[C@@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1nc(C2CCCCC2)no1 ZINC000578063845 448451342 /nfs/dbraw/zinc/45/13/42/448451342.db2.gz BEXSJSCZHWEYFA-HIFRSBDPSA-N 1 2 335.452 1.974 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1nc(-c2ccsc2)no1 ZINC000584235322 448476251 /nfs/dbraw/zinc/47/62/51/448476251.db2.gz PCECBDIYGJLMIT-OAHLLOKOSA-N 1 2 333.417 1.691 20 30 EDEDLO C[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000516827490 448477166 /nfs/dbraw/zinc/47/71/66/448477166.db2.gz SLSRYTXYXDTATB-CYBMUJFWSA-N 1 2 333.395 1.923 20 30 EDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528353649 448496100 /nfs/dbraw/zinc/49/61/00/448496100.db2.gz UQQJVPKEBFTXBS-LSDHHAIUSA-N 1 2 326.396 1.785 20 30 EDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528353649 448496104 /nfs/dbraw/zinc/49/61/04/448496104.db2.gz UQQJVPKEBFTXBS-LSDHHAIUSA-N 1 2 326.396 1.785 20 30 EDEDLO C[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)[C@H](C)O1 ZINC000528470525 448541705 /nfs/dbraw/zinc/54/17/05/448541705.db2.gz ICZUMODOFBTUHH-KFWWJZLASA-N 1 2 326.396 1.784 20 30 EDEDLO C[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C)[C@H](C)O1 ZINC000528470525 448541709 /nfs/dbraw/zinc/54/17/09/448541709.db2.gz ICZUMODOFBTUHH-KFWWJZLASA-N 1 2 326.396 1.784 20 30 EDEDLO N#Cc1cnccc1CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000592054645 448651316 /nfs/dbraw/zinc/65/13/16/448651316.db2.gz BDZFAJBXWZLRBM-UHFFFAOYSA-N 1 2 327.432 1.083 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(Oc2cnccn2)c1 ZINC000567170905 448630048 /nfs/dbraw/zinc/63/00/48/448630048.db2.gz PGNXYLWPZPGWKI-KRWDZBQOSA-N 1 2 325.372 1.843 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)Cc1cccc(C#N)c1)C2 ZINC000567395795 448685163 /nfs/dbraw/zinc/68/51/63/448685163.db2.gz FKABIBUVWZTCRD-INIZCTEOSA-N 1 2 338.411 1.272 20 30 EDEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2CC(C)(C(N)=O)C2)ccc1Cl ZINC000592136182 448702171 /nfs/dbraw/zinc/70/21/71/448702171.db2.gz UQOYUBKDZDOJGM-UHFFFAOYSA-N 1 2 348.834 1.702 20 30 EDEDLO CCN(C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1nc2ccccc2s1 ZINC000592149566 448710010 /nfs/dbraw/zinc/71/00/10/448710010.db2.gz RGSSMEZOJABMGG-KRWDZBQOSA-N 1 2 344.440 2.000 20 30 EDEDLO CCN(C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1nc2ccccc2s1 ZINC000592149566 448710012 /nfs/dbraw/zinc/71/00/12/448710012.db2.gz RGSSMEZOJABMGG-KRWDZBQOSA-N 1 2 344.440 2.000 20 30 EDEDLO COc1cc(OC)cc(N2CC[C@@H]([N@@H+]3CC[C@@](O)(CC#N)C3)C2=O)c1 ZINC000592150307 448711443 /nfs/dbraw/zinc/71/14/43/448711443.db2.gz DOZVXFYCDVPWES-AEFFLSMTSA-N 1 2 345.399 1.160 20 30 EDEDLO COc1cc(OC)cc(N2CC[C@@H]([N@H+]3CC[C@@](O)(CC#N)C3)C2=O)c1 ZINC000592150307 448711446 /nfs/dbraw/zinc/71/14/46/448711446.db2.gz DOZVXFYCDVPWES-AEFFLSMTSA-N 1 2 345.399 1.160 20 30 EDEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592521877 448876039 /nfs/dbraw/zinc/87/60/39/448876039.db2.gz CLSJJDHHERSSTC-CYBMUJFWSA-N 1 2 332.326 1.520 20 30 EDEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592521877 448876043 /nfs/dbraw/zinc/87/60/43/448876043.db2.gz CLSJJDHHERSSTC-CYBMUJFWSA-N 1 2 332.326 1.520 20 30 EDEDLO N#Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)s1 ZINC000574629235 448919290 /nfs/dbraw/zinc/91/92/90/448919290.db2.gz GYWYCIIPJKOLEG-UHFFFAOYSA-N 1 2 342.424 1.777 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000580841680 448959283 /nfs/dbraw/zinc/95/92/83/448959283.db2.gz KTXSEJYTARFWMI-HIFRSBDPSA-N 1 2 341.477 1.227 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000580841682 448959596 /nfs/dbraw/zinc/95/95/96/448959596.db2.gz KTXSEJYTARFWMI-ZFWWWQNUSA-N 1 2 341.477 1.227 20 30 EDEDLO N#Cc1cc(O)cc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000589170128 448981864 /nfs/dbraw/zinc/98/18/64/448981864.db2.gz JMMCYWYOINYQCP-QGZVFWFLSA-N 1 2 347.440 1.202 20 30 EDEDLO N#CCN1CCC(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000589400108 449012614 /nfs/dbraw/zinc/01/26/14/449012614.db2.gz GTKIBRVHIRBZNJ-UHFFFAOYSA-N 1 2 337.427 1.578 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C(C)(C)C1 ZINC000593656638 449133689 /nfs/dbraw/zinc/13/36/89/449133689.db2.gz HTZXDRQWBOUBAX-UHFFFAOYSA-N 1 2 343.474 1.351 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)s2)C(C)(C)C1 ZINC000593656638 449133694 /nfs/dbraw/zinc/13/36/94/449133694.db2.gz HTZXDRQWBOUBAX-UHFFFAOYSA-N 1 2 343.474 1.351 20 30 EDEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1)CC2 ZINC000595836057 449199385 /nfs/dbraw/zinc/19/93/85/449199385.db2.gz VHORAPOAAQSRBB-IBGZPJMESA-N 1 2 343.427 1.824 20 30 EDEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CC[C@@](C)(C#N)C1)CC2 ZINC000595836057 449199389 /nfs/dbraw/zinc/19/93/89/449199389.db2.gz VHORAPOAAQSRBB-IBGZPJMESA-N 1 2 343.427 1.824 20 30 EDEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000600144816 449213688 /nfs/dbraw/zinc/21/36/88/449213688.db2.gz OBGDPNFFMCBVTQ-MLGOLLRUSA-N 1 2 349.394 1.988 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c1C#N ZINC000595823061 449186447 /nfs/dbraw/zinc/18/64/47/449186447.db2.gz FNWVZAITUTXDED-AWEZNQCLSA-N 1 2 344.415 1.533 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c1C#N ZINC000595823061 449186453 /nfs/dbraw/zinc/18/64/53/449186453.db2.gz FNWVZAITUTXDED-AWEZNQCLSA-N 1 2 344.415 1.533 20 30 EDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000611235257 449231168 /nfs/dbraw/zinc/23/11/68/449231168.db2.gz WUBPHFUKNIWNDH-UHFFFAOYSA-N 1 2 338.411 1.863 20 30 EDEDLO COCC1(C2CC2)C[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000601961300 449247240 /nfs/dbraw/zinc/24/72/40/449247240.db2.gz CHXYGSAYLSAYGL-UHFFFAOYSA-N 1 2 334.441 1.690 20 30 EDEDLO COC(=O)[C@@H](COC(C)C)N(C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000611287194 449250375 /nfs/dbraw/zinc/25/03/75/449250375.db2.gz QOLJAQGEZHXMQY-OAHLLOKOSA-N 1 2 330.388 1.604 20 30 EDEDLO C[N@@H+]1CCO[C@@H](C(=O)NC2(c3cccc(C#N)c3)CCOCC2)C1 ZINC000598247756 449311245 /nfs/dbraw/zinc/31/12/45/449311245.db2.gz FOQWCGXHPIIPQQ-MRXNPFEDSA-N 1 2 329.400 1.011 20 30 EDEDLO C[N@H+]1CCO[C@@H](C(=O)NC2(c3cccc(C#N)c3)CCOCC2)C1 ZINC000598247756 449311251 /nfs/dbraw/zinc/31/12/51/449311251.db2.gz FOQWCGXHPIIPQQ-MRXNPFEDSA-N 1 2 329.400 1.011 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1C#N ZINC000600309885 449313421 /nfs/dbraw/zinc/31/34/21/449313421.db2.gz DHLDTJCDYQYBMY-LLVKDONJSA-N 1 2 334.445 1.842 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1C#N ZINC000600309885 449313427 /nfs/dbraw/zinc/31/34/27/449313427.db2.gz DHLDTJCDYQYBMY-LLVKDONJSA-N 1 2 334.445 1.842 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2[C@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)nn1 ZINC000593986161 449314027 /nfs/dbraw/zinc/31/40/27/449314027.db2.gz XVNDJWIRCUDLOB-OEAJRASXSA-N 1 2 334.420 1.538 20 30 EDEDLO C=CCCn1cc(C[N@H+]2[C@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)nn1 ZINC000593986161 449314033 /nfs/dbraw/zinc/31/40/33/449314033.db2.gz XVNDJWIRCUDLOB-OEAJRASXSA-N 1 2 334.420 1.538 20 30 EDEDLO CCCCNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550390 449332337 /nfs/dbraw/zinc/33/23/37/449332337.db2.gz DRSQCLORLZTZHR-KRWDZBQOSA-N 1 2 332.423 1.924 20 30 EDEDLO CN(CC1CC1)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552694 449333237 /nfs/dbraw/zinc/33/32/37/449333237.db2.gz IOTIMCUUKDXWTA-SFHVURJKSA-N 1 2 344.434 1.876 20 30 EDEDLO CN1CCC[C@H]([NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1=O ZINC000611551753 449334083 /nfs/dbraw/zinc/33/40/83/449334083.db2.gz SWRJPISJNUUUPM-DLBZAZTESA-N 1 2 330.407 1.629 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598460167 449406648 /nfs/dbraw/zinc/40/66/48/449406648.db2.gz RILUHSWOGGZGJH-CYBMUJFWSA-N 1 2 328.420 1.957 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594337410 449456405 /nfs/dbraw/zinc/45/64/05/449456405.db2.gz UNVRGDJDCKMUQD-LRDDRELGSA-N 1 2 340.383 1.360 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594337410 449456409 /nfs/dbraw/zinc/45/64/09/449456409.db2.gz UNVRGDJDCKMUQD-LRDDRELGSA-N 1 2 340.383 1.360 20 30 EDEDLO CCOc1cncc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000598673879 449535204 /nfs/dbraw/zinc/53/52/04/449535204.db2.gz RXGIDYHCCDEMFZ-AWEZNQCLSA-N 1 2 338.415 1.853 20 30 EDEDLO CCOc1cncc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000598673879 449535206 /nfs/dbraw/zinc/53/52/06/449535206.db2.gz RXGIDYHCCDEMFZ-AWEZNQCLSA-N 1 2 338.415 1.853 20 30 EDEDLO N#Cc1ccnc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)c1 ZINC000596514511 449536656 /nfs/dbraw/zinc/53/66/56/449536656.db2.gz IZAZYQPDDUDWHH-IBGZPJMESA-N 1 2 338.411 1.629 20 30 EDEDLO N#Cc1ccnc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)c1 ZINC000596514511 449536662 /nfs/dbraw/zinc/53/66/62/449536662.db2.gz IZAZYQPDDUDWHH-IBGZPJMESA-N 1 2 338.411 1.629 20 30 EDEDLO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000594435251 449514184 /nfs/dbraw/zinc/51/41/84/449514184.db2.gz CRSJEHAQAQMGLM-UONOGXRCSA-N 1 2 330.436 1.799 20 30 EDEDLO CO[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCOC1 ZINC000596657367 449589413 /nfs/dbraw/zinc/58/94/13/449589413.db2.gz RKSXQYLZKLMKLQ-MSOLQXFVSA-N 1 2 343.427 1.254 20 30 EDEDLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@@](C)(C#N)C1 ZINC000612164689 449595618 /nfs/dbraw/zinc/59/56/18/449595618.db2.gz DWBBBGTVODZGHZ-LPHOPBHVSA-N 1 2 341.459 1.744 20 30 EDEDLO COc1ccccc1N1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594661439 449614870 /nfs/dbraw/zinc/61/48/70/449614870.db2.gz ZNIMDHFFPDVBOI-DZGCQCFKSA-N 1 2 327.384 1.953 20 30 EDEDLO COc1ccccc1N1C(=O)C[C@@H]([N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594661439 449614876 /nfs/dbraw/zinc/61/48/76/449614876.db2.gz ZNIMDHFFPDVBOI-DZGCQCFKSA-N 1 2 327.384 1.953 20 30 EDEDLO C=CCCSCCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000596716778 449619422 /nfs/dbraw/zinc/61/94/22/449619422.db2.gz HZJKADXHHDVPRS-UHFFFAOYSA-N 1 2 335.477 1.926 20 30 EDEDLO Cc1[nH]c2ccc(Cn3c(=O)c(C#N)c(C)n(C4CC4)c3=O)cc2[nH+]1 ZINC000601091659 449685872 /nfs/dbraw/zinc/68/58/72/449685872.db2.gz FBWFAPYIJBMOFZ-UHFFFAOYSA-N 1 2 335.367 1.758 20 30 EDEDLO Cc1[nH]c2cc(Cn3c(=O)c(C#N)c(C)n(C4CC4)c3=O)ccc2[nH+]1 ZINC000601091659 449685876 /nfs/dbraw/zinc/68/58/76/449685876.db2.gz FBWFAPYIJBMOFZ-UHFFFAOYSA-N 1 2 335.367 1.758 20 30 EDEDLO Cc1cc(NCCNC(=O)NCC2(CC#N)CC2)nc(C(C)C)[nH+]1 ZINC000599048737 449711147 /nfs/dbraw/zinc/71/11/47/449711147.db2.gz NHHFZZSACNVNOY-UHFFFAOYSA-N 1 2 330.436 2.313 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000594804004 449716502 /nfs/dbraw/zinc/71/65/02/449716502.db2.gz UNCBZLLCOHZKTN-UHFFFAOYSA-N 1 2 343.412 1.427 20 30 EDEDLO Cc1cc(NCCNC(=O)N[C@@H]2CC[C@H](C#N)C2)nc(C(C)C)[nH+]1 ZINC000599087172 449724177 /nfs/dbraw/zinc/72/41/77/449724177.db2.gz WUVMLBPWUDORHR-UONOGXRCSA-N 1 2 330.436 2.312 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601100985 449689377 /nfs/dbraw/zinc/68/93/77/449689377.db2.gz RYIDWVNIUBWPSF-UHFFFAOYSA-N 1 2 343.456 1.815 20 30 EDEDLO C=CCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@@H](C)COC ZINC000617577391 449695645 /nfs/dbraw/zinc/69/56/45/449695645.db2.gz NRSHUBZDKIEZLJ-HNNXBMFYSA-N 1 2 334.464 1.682 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)C2(C#N)CC3(CC3)C2)nc[nH+]1 ZINC000601258459 449781503 /nfs/dbraw/zinc/78/15/03/449781503.db2.gz HGUIKJVLZBWPCC-ZDUSSCGKSA-N 1 2 340.431 1.687 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)C2(C#N)CC3(CC3)C2)[nH+]cn1 ZINC000601258459 449781506 /nfs/dbraw/zinc/78/15/06/449781506.db2.gz HGUIKJVLZBWPCC-ZDUSSCGKSA-N 1 2 340.431 1.687 20 30 EDEDLO N#CCC1(C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000602757796 449787109 /nfs/dbraw/zinc/78/71/09/449787109.db2.gz ABOKMKCQCAQWLD-UHFFFAOYSA-N 1 2 333.457 1.828 20 30 EDEDLO CCC(C#N)(CC)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000599145255 449762609 /nfs/dbraw/zinc/76/26/09/449762609.db2.gz YXHNQITUWZVIET-INIZCTEOSA-N 1 2 325.478 1.640 20 30 EDEDLO N#CCc1cccc2c1CC[N@H+](Cc1cn(C[C@@H]3CCOC3)nn1)C2 ZINC000602729025 449770487 /nfs/dbraw/zinc/77/04/87/449770487.db2.gz HOYHFNVEPRFCKN-HNNXBMFYSA-N 1 2 337.427 1.939 20 30 EDEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cn(C[C@@H]3CCOC3)nn1)C2 ZINC000602729025 449770491 /nfs/dbraw/zinc/77/04/91/449770491.db2.gz HOYHFNVEPRFCKN-HNNXBMFYSA-N 1 2 337.427 1.939 20 30 EDEDLO C[N@@H+]1CCOC[C@@H]1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000599161832 449771050 /nfs/dbraw/zinc/77/10/50/449771050.db2.gz WNTAALCNGGQMHS-ZDUSSCGKSA-N 1 2 327.344 1.757 20 30 EDEDLO C[N@H+]1CCOC[C@@H]1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000599161832 449771056 /nfs/dbraw/zinc/77/10/56/449771056.db2.gz WNTAALCNGGQMHS-ZDUSSCGKSA-N 1 2 327.344 1.757 20 30 EDEDLO N#CCc1ccccc1S(=O)(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000601335819 449844918 /nfs/dbraw/zinc/84/49/18/449844918.db2.gz YBEFDORWATWZJO-UHFFFAOYSA-N 1 2 330.413 1.764 20 30 EDEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599259596 449839401 /nfs/dbraw/zinc/83/94/01/449839401.db2.gz NJUUKSAAFFCRTP-MRXNPFEDSA-N 1 2 328.460 1.899 20 30 EDEDLO COC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599283545 449859100 /nfs/dbraw/zinc/85/91/00/449859100.db2.gz YHNZHYCHWXYDLE-QGZVFWFLSA-N 1 2 346.427 1.733 20 30 EDEDLO COC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599283545 449859107 /nfs/dbraw/zinc/85/91/07/449859107.db2.gz YHNZHYCHWXYDLE-QGZVFWFLSA-N 1 2 346.427 1.733 20 30 EDEDLO C[C@H](CC#N)NCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000602864291 449872796 /nfs/dbraw/zinc/87/27/96/449872796.db2.gz QWBVZOJNZPSIQB-OAHLLOKOSA-N 1 2 330.432 1.027 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000601400246 449916273 /nfs/dbraw/zinc/91/62/73/449916273.db2.gz XIZMUPSXFJSPJB-GFCCVEGCSA-N 1 2 348.403 1.743 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](c2cc(C)cc[nH+]2)C1 ZINC000601459591 449983443 /nfs/dbraw/zinc/98/34/43/449983443.db2.gz FWDOJYWRKKAQJZ-GJZGRUSLSA-N 1 2 336.461 1.906 20 30 EDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)CCOCC1 ZINC000599476983 450006541 /nfs/dbraw/zinc/00/65/41/450006541.db2.gz ANQMQYCUZNCXLB-STQMWFEESA-N 1 2 336.354 1.711 20 30 EDEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@@H](CC(F)(F)F)C2)CCOCC1 ZINC000599476983 450006548 /nfs/dbraw/zinc/00/65/48/450006548.db2.gz ANQMQYCUZNCXLB-STQMWFEESA-N 1 2 336.354 1.711 20 30 EDEDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000599562928 450063023 /nfs/dbraw/zinc/06/30/23/450063023.db2.gz KEZIXXXXUOITST-KRWDZBQOSA-N 1 2 342.355 1.372 20 30 EDEDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000599562928 450063030 /nfs/dbraw/zinc/06/30/30/450063030.db2.gz KEZIXXXXUOITST-KRWDZBQOSA-N 1 2 342.355 1.372 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597501727 450065740 /nfs/dbraw/zinc/06/57/40/450065740.db2.gz RAKKRMDRCVQAOT-CQSZACIVSA-N 1 2 340.383 1.981 20 30 EDEDLO N#Cc1cccc(N2CCN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)CC2)n1 ZINC000597510485 450071991 /nfs/dbraw/zinc/07/19/91/450071991.db2.gz WOVDHNQGHJVSMQ-ZDUSSCGKSA-N 1 2 336.399 1.130 20 30 EDEDLO N#Cc1cccc(N2CCN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)CC2)n1 ZINC000597510485 450071996 /nfs/dbraw/zinc/07/19/96/450071996.db2.gz WOVDHNQGHJVSMQ-ZDUSSCGKSA-N 1 2 336.399 1.130 20 30 EDEDLO COc1cc(OC)c(C2CC[NH+](CC(=O)NCC#N)CC2)c(OC)c1 ZINC000609423395 450026729 /nfs/dbraw/zinc/02/67/29/450026729.db2.gz DWNUQJKUZXTUAL-UHFFFAOYSA-N 1 2 347.415 1.532 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)Cc2ccccc2)CC1 ZINC000609485849 450036143 /nfs/dbraw/zinc/03/61/43/450036143.db2.gz YSDHIFAPCPEWKT-SFHVURJKSA-N 1 2 328.460 1.811 20 30 EDEDLO C[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@H](C)N1CC#N ZINC000603091026 450059831 /nfs/dbraw/zinc/05/98/31/450059831.db2.gz NPXVRIVYRJKVKA-IYBDPMFKSA-N 1 2 337.427 1.990 20 30 EDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609925881 450116735 /nfs/dbraw/zinc/11/67/35/450116735.db2.gz DPGCXCBXKCWVGF-MEOWCGSWSA-N 1 2 336.457 1.334 20 30 EDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609925881 450116742 /nfs/dbraw/zinc/11/67/42/450116742.db2.gz DPGCXCBXKCWVGF-MEOWCGSWSA-N 1 2 336.457 1.334 20 30 EDEDLO C[C@@]1(C#N)CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000595441293 450145856 /nfs/dbraw/zinc/14/58/56/450145856.db2.gz WMPKGBAYBYNGKK-KRWDZBQOSA-N 1 2 329.404 1.363 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc4ccccc4n3)CC2)c1C#N ZINC000595458456 450155262 /nfs/dbraw/zinc/15/52/62/450155262.db2.gz RCQKWDHCIUOXGH-UHFFFAOYSA-N 1 2 347.426 1.866 20 30 EDEDLO COC[C@]1(C)C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000599698336 450161534 /nfs/dbraw/zinc/16/15/34/450161534.db2.gz QVWQADILGWVCDD-MJGOQNOKSA-N 1 2 343.427 1.791 20 30 EDEDLO COC[C@]1(C)C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000599698336 450161537 /nfs/dbraw/zinc/16/15/37/450161537.db2.gz QVWQADILGWVCDD-MJGOQNOKSA-N 1 2 343.427 1.791 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(OC)c(F)cc2[N+](=O)[O-])nn1 ZINC000603239970 450167916 /nfs/dbraw/zinc/16/79/16/450167916.db2.gz WIMITZFMSLKFIV-UHFFFAOYSA-N 1 2 333.323 1.495 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2nn(C)cc2C#N)c1C ZINC000610565406 450263286 /nfs/dbraw/zinc/26/32/86/450263286.db2.gz VFPQMGUIVHFVQC-UHFFFAOYSA-N 1 2 328.376 1.976 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610846703 450354673 /nfs/dbraw/zinc/35/46/73/450354673.db2.gz CHAXRHIZOFJFRM-NSHDSACASA-N 1 2 327.388 1.362 20 30 EDEDLO C=CCNC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000626379418 450712714 /nfs/dbraw/zinc/71/27/14/450712714.db2.gz CYHLVEXMOODAQW-HNNXBMFYSA-N 1 2 335.835 1.723 20 30 EDEDLO C=CCNC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000626379418 450712721 /nfs/dbraw/zinc/71/27/21/450712721.db2.gz CYHLVEXMOODAQW-HNNXBMFYSA-N 1 2 335.835 1.723 20 30 EDEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632456658 451305911 /nfs/dbraw/zinc/30/59/11/451305911.db2.gz KWHOGUNHJDATKJ-UHFFFAOYSA-N 1 2 326.400 1.625 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCc2ccc(Cl)cc2)nn1 ZINC000640787749 451580438 /nfs/dbraw/zinc/58/04/38/451580438.db2.gz RZZJHKYCSQOBLW-UHFFFAOYSA-N 1 2 345.834 1.403 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2ccc(Cl)cc2)nn1 ZINC000641204039 451780137 /nfs/dbraw/zinc/78/01/37/451780137.db2.gz CGGMNCMWVISRFT-HNNXBMFYSA-N 1 2 334.807 1.484 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2cc(C)ccc2Cl)nn1 ZINC000641224690 451789467 /nfs/dbraw/zinc/78/94/67/451789467.db2.gz NGLXQKGIRCRGCL-OAHLLOKOSA-N 1 2 348.834 1.793 20 30 EDEDLO C=CCCn1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nn1 ZINC000653489233 451979159 /nfs/dbraw/zinc/97/91/59/451979159.db2.gz WQABURKBJMFLMY-ZDUSSCGKSA-N 1 2 349.460 1.695 20 30 EDEDLO C=CCCn1cc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)nn1 ZINC000653489233 451979166 /nfs/dbraw/zinc/97/91/66/451979166.db2.gz WQABURKBJMFLMY-ZDUSSCGKSA-N 1 2 349.460 1.695 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000645135915 452171082 /nfs/dbraw/zinc/17/10/82/452171082.db2.gz ULOOVZZKYOTFFX-CVEARBPZSA-N 1 2 344.390 1.722 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000645145903 452175995 /nfs/dbraw/zinc/17/59/95/452175995.db2.gz MAZOBCOKJMKXNO-MRXNPFEDSA-N 1 2 330.432 1.645 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)nn1 ZINC000657466131 452267192 /nfs/dbraw/zinc/26/71/92/452267192.db2.gz BOCZAUFLGDZKET-HNNXBMFYSA-N 1 2 343.431 1.954 20 30 EDEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000658578276 453143134 /nfs/dbraw/zinc/14/31/34/453143134.db2.gz UBHDYKQSMPEYTH-UHFFFAOYSA-N 1 2 338.411 1.749 20 30 EDEDLO C=CCCC(C)(C)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000664630436 453267948 /nfs/dbraw/zinc/26/79/48/453267948.db2.gz CMTIZEYLMIHNKS-AWEZNQCLSA-N 1 2 347.463 1.955 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000646314023 453309488 /nfs/dbraw/zinc/30/94/88/453309488.db2.gz GHOZNWVPXQMZNF-CQSZACIVSA-N 1 2 332.404 1.122 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2cccnc2N2CCOCC2)nn1 ZINC000657306577 453762766 /nfs/dbraw/zinc/76/27/66/453762766.db2.gz NEICYEJAXTXXRX-UHFFFAOYSA-N 1 2 328.420 1.376 20 30 EDEDLO COCC#CC[NH+]1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000680388909 486766042 /nfs/dbraw/zinc/76/60/42/486766042.db2.gz NFVTWWHAAJRXMA-MRXNPFEDSA-N 1 2 335.835 1.134 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000667491650 486807688 /nfs/dbraw/zinc/80/76/88/486807688.db2.gz ACUFMPRMNNATJO-UHFFFAOYSA-N 1 2 326.444 1.896 20 30 EDEDLO C=CCN(C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000678891226 487376538 /nfs/dbraw/zinc/37/65/38/487376538.db2.gz PEBJFSBXWVLPKC-CYBMUJFWSA-N 1 2 334.401 1.541 20 30 EDEDLO C=CCOCCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000679482451 487430419 /nfs/dbraw/zinc/43/04/19/487430419.db2.gz IVGZULURXZMRKF-AWEZNQCLSA-N 1 2 334.420 1.309 20 30 EDEDLO C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000452073647 486238318 /nfs/dbraw/zinc/23/83/18/486238318.db2.gz YFAYLKKCLUJDRT-CZUORRHYSA-N 1 2 339.399 1.385 20 30 EDEDLO C[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000452073647 486238323 /nfs/dbraw/zinc/23/83/23/486238323.db2.gz YFAYLKKCLUJDRT-CZUORRHYSA-N 1 2 339.399 1.385 20 30 EDEDLO C=CCn1c(CCC(C)C)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000669810083 486451949 /nfs/dbraw/zinc/45/19/49/486451949.db2.gz OFTUTUQBLOKQNF-UHFFFAOYSA-N 1 2 348.495 1.263 20 30 EDEDLO Cc1c[nH+]ccc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000107294739 534712125 /nfs/dbraw/zinc/71/21/25/534712125.db2.gz YSUYKSOXGHWCKB-UHFFFAOYSA-N 1 2 344.396 1.834 20 30 EDEDLO C=CCc1cc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)cc(OC)c1O ZINC000093384534 527235213 /nfs/dbraw/zinc/23/52/13/527235213.db2.gz RMHHSANQSNLDDV-LBPRGKRZSA-N 1 2 327.446 1.994 20 30 EDEDLO C=CCc1cc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)cc(OC)c1O ZINC000093384534 527235218 /nfs/dbraw/zinc/23/52/18/527235218.db2.gz RMHHSANQSNLDDV-LBPRGKRZSA-N 1 2 327.446 1.994 20 30 EDEDLO C=CCn1c(C)nnc1S(=O)(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000174634604 527301840 /nfs/dbraw/zinc/30/18/40/527301840.db2.gz MUDHAMWXQCHDMS-UHFFFAOYSA-N 1 2 331.401 1.703 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000176988019 529129915 /nfs/dbraw/zinc/12/99/15/529129915.db2.gz POIZGOWCLNCSBO-UHFFFAOYSA-N 1 2 333.863 1.834 20 30 EDEDLO CC[C@@H](C(=O)OC)N1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000352687918 535447380 /nfs/dbraw/zinc/44/73/80/535447380.db2.gz ACSLZOXQXCBAQV-INIZCTEOSA-N 1 2 331.416 1.636 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000740886309 579388289 /nfs/dbraw/zinc/38/82/89/579388289.db2.gz GSUCTBJAAGHWPG-MRXNPFEDSA-N 1 2 341.411 1.164 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000740886309 579388291 /nfs/dbraw/zinc/38/82/91/579388291.db2.gz GSUCTBJAAGHWPG-MRXNPFEDSA-N 1 2 341.411 1.164 20 30 EDEDLO C=C(COC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OCC ZINC000741022452 579394016 /nfs/dbraw/zinc/39/40/16/579394016.db2.gz VXLGMLBQUNJZRV-ZNMIVQPWSA-N 1 2 327.421 1.783 20 30 EDEDLO C=C(COC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OCC ZINC000741022452 579394017 /nfs/dbraw/zinc/39/40/17/579394017.db2.gz VXLGMLBQUNJZRV-ZNMIVQPWSA-N 1 2 327.421 1.783 20 30 EDEDLO N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000742401161 579451055 /nfs/dbraw/zinc/45/10/55/579451055.db2.gz OMMHTUVZVNSCCF-ZDUSSCGKSA-N 1 2 331.401 1.244 20 30 EDEDLO C[C@H](CNc1[nH+]cnc2c1cnn2CCC#N)CC1(C)OCCO1 ZINC000742409092 579451382 /nfs/dbraw/zinc/45/13/82/579451382.db2.gz QITSBWPCNKJYPB-LBPRGKRZSA-N 1 2 330.392 1.941 20 30 EDEDLO COC(=O)[C@]1(C)CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000759783126 580014958 /nfs/dbraw/zinc/01/49/58/580014958.db2.gz IEJAVUIJFPHUOF-GOSISDBHSA-N 1 2 340.383 1.305 20 30 EDEDLO COC(=O)[C@]1(C)CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000759783126 580014959 /nfs/dbraw/zinc/01/49/59/580014959.db2.gz IEJAVUIJFPHUOF-GOSISDBHSA-N 1 2 340.383 1.305 20 30 EDEDLO COC(=O)c1cn(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)nn1 ZINC000728904539 578554025 /nfs/dbraw/zinc/55/40/25/578554025.db2.gz PNJRUSNHNBTEKY-UHFFFAOYSA-N 1 2 341.371 1.437 20 30 EDEDLO C=CCn1c(C)nn(CN2CC[NH+](Cc3cnn(C)c3)CC2)c1=S ZINC000729989150 578604772 /nfs/dbraw/zinc/60/47/72/578604772.db2.gz RTMQSZMSHBOJMG-UHFFFAOYSA-N 1 2 347.492 1.417 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000730097016 578613877 /nfs/dbraw/zinc/61/38/77/578613877.db2.gz VYUDQYKTIGBLPV-HNNXBMFYSA-N 1 2 333.819 1.835 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1Cl ZINC000730097016 578613879 /nfs/dbraw/zinc/61/38/79/578613879.db2.gz VYUDQYKTIGBLPV-HNNXBMFYSA-N 1 2 333.819 1.835 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=S)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000731947993 578685547 /nfs/dbraw/zinc/68/55/47/578685547.db2.gz QXWHYCHUMRHRNF-CYBMUJFWSA-N 1 2 337.880 1.744 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=S)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000731947993 578685548 /nfs/dbraw/zinc/68/55/48/578685548.db2.gz QXWHYCHUMRHRNF-CYBMUJFWSA-N 1 2 337.880 1.744 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2nnn(-c3ccc(C)cc3)c2C)CC1 ZINC000733162726 578745085 /nfs/dbraw/zinc/74/50/85/578745085.db2.gz RZEROVGRJSIKSY-UHFFFAOYSA-N 1 2 337.427 1.204 20 30 EDEDLO CN1C(=O)N[C@]2(CC[N@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1=O ZINC000735310212 578875033 /nfs/dbraw/zinc/87/50/33/578875033.db2.gz TYEFFPQPBGGSCU-INIZCTEOSA-N 1 2 348.790 1.368 20 30 EDEDLO CN1C(=O)N[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1=O ZINC000735310212 578875034 /nfs/dbraw/zinc/87/50/34/578875034.db2.gz TYEFFPQPBGGSCU-INIZCTEOSA-N 1 2 348.790 1.368 20 30 EDEDLO N#CC1(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCC1 ZINC000736845848 579026148 /nfs/dbraw/zinc/02/61/48/579026148.db2.gz PVVBYHPDJIGIQW-UHFFFAOYSA-N 1 2 347.440 1.629 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](NC(=O)c2cccs2)C(C)C)CC1 ZINC000744422912 579510252 /nfs/dbraw/zinc/51/02/52/579510252.db2.gz GDBIJXHMHPPHKH-HNNXBMFYSA-N 1 2 333.457 1.280 20 30 EDEDLO N#Cc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)cc2)c1 ZINC000746095700 579571818 /nfs/dbraw/zinc/57/18/18/579571818.db2.gz ZJHVPPFZBIROGE-UHFFFAOYSA-N 1 2 326.331 1.651 20 30 EDEDLO C#CCN(C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000746153559 579574226 /nfs/dbraw/zinc/57/42/26/579574226.db2.gz ZLKOBYUZHGHVNG-WBVHZDCISA-N 1 2 348.468 1.156 20 30 EDEDLO C#CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000746153559 579574227 /nfs/dbraw/zinc/57/42/27/579574227.db2.gz ZLKOBYUZHGHVNG-WBVHZDCISA-N 1 2 348.468 1.156 20 30 EDEDLO CNC(=O)CC1CC[NH+]([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000746669740 579605929 /nfs/dbraw/zinc/60/59/29/579605929.db2.gz KXQVDYFACDRIPA-KRWDZBQOSA-N 1 2 329.400 1.620 20 30 EDEDLO CCOc1ccc(/C=[NH+]/CC2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000748584049 579693671 /nfs/dbraw/zinc/69/36/71/579693671.db2.gz LXFCAVUPKFWOQT-SFQUDFHCSA-N 1 2 340.445 1.881 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752307817 579845075 /nfs/dbraw/zinc/84/50/75/579845075.db2.gz DYMPDGMTRZHIPW-BGETUVHESA-N 1 2 330.428 1.295 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000752307817 579845076 /nfs/dbraw/zinc/84/50/76/579845076.db2.gz DYMPDGMTRZHIPW-BGETUVHESA-N 1 2 330.428 1.295 20 30 EDEDLO Cc1[nH+]c[nH]c1CN=Nc1ccc(S(=O)(=O)NC2CCCC2)cn1 ZINC000755635836 579931507 /nfs/dbraw/zinc/93/15/07/579931507.db2.gz HBICQPHCNXVMNV-UHFFFAOYSA-N 1 2 348.432 1.780 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000756542531 579951979 /nfs/dbraw/zinc/95/19/79/579951979.db2.gz BDMIRJPWWWHCAL-INIZCTEOSA-N 1 2 347.440 1.045 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000756542531 579951980 /nfs/dbraw/zinc/95/19/80/579951980.db2.gz BDMIRJPWWWHCAL-INIZCTEOSA-N 1 2 347.440 1.045 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000758077240 579975190 /nfs/dbraw/zinc/97/51/90/579975190.db2.gz RKRPRCCGKVKXHG-UHFFFAOYSA-N 1 2 326.337 1.907 20 30 EDEDLO C#CCCCC(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000759174069 580000170 /nfs/dbraw/zinc/00/01/70/580000170.db2.gz RBCZIMAQTJOQJM-UHFFFAOYSA-N 1 2 344.411 1.804 20 30 EDEDLO COC(=O)c1cc(C=NNc2ccc(-n3cc[nH+]c3)nn2)oc1C ZINC000761855260 580062572 /nfs/dbraw/zinc/06/25/72/580062572.db2.gz MNGBQVPQMGVRRX-UHFFFAOYSA-N 1 2 326.316 1.796 20 30 EDEDLO COC(=O)c1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)oc1C ZINC000761855260 580062573 /nfs/dbraw/zinc/06/25/73/580062573.db2.gz MNGBQVPQMGVRRX-UHFFFAOYSA-N 1 2 326.316 1.796 20 30 EDEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000763396693 580099417 /nfs/dbraw/zinc/09/94/17/580099417.db2.gz QRAHWZHXBSHLRD-QGZVFWFLSA-N 1 2 328.416 1.425 20 30 EDEDLO CCCC[C@H](ON=C(C)C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765700716 580149194 /nfs/dbraw/zinc/14/91/94/580149194.db2.gz ZTSFMQDXYMUEHH-HNNXBMFYSA-N 1 2 325.453 1.939 20 30 EDEDLO C[N@H+](CC(=O)OCC(=O)NCc1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000767112770 580181921 /nfs/dbraw/zinc/18/19/21/580181921.db2.gz SQIHOAWVPXGVJH-HNNXBMFYSA-N 1 2 347.440 1.155 20 30 EDEDLO C[N@@H+](CC(=O)OCC(=O)NCc1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000767112770 580181922 /nfs/dbraw/zinc/18/19/22/580181922.db2.gz SQIHOAWVPXGVJH-HNNXBMFYSA-N 1 2 347.440 1.155 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000767119031 580182100 /nfs/dbraw/zinc/18/21/00/580182100.db2.gz YGMOFLCOOLAFNZ-KBPBESRZSA-N 1 2 328.478 1.780 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000767119031 580182101 /nfs/dbraw/zinc/18/21/01/580182101.db2.gz YGMOFLCOOLAFNZ-KBPBESRZSA-N 1 2 328.478 1.780 20 30 EDEDLO C[N@H+](CC(=O)OCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCSC1 ZINC000772059200 580302342 /nfs/dbraw/zinc/30/23/42/580302342.db2.gz GYUIAJSICPKPBZ-CQSZACIVSA-N 1 2 333.413 1.477 20 30 EDEDLO C[N@@H+](CC(=O)OCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCSC1 ZINC000772059200 580302343 /nfs/dbraw/zinc/30/23/43/580302343.db2.gz GYUIAJSICPKPBZ-CQSZACIVSA-N 1 2 333.413 1.477 20 30 EDEDLO C[C@@H]1COCCC[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000772821646 580321334 /nfs/dbraw/zinc/32/13/34/580321334.db2.gz MBUWSDSVLMKZRY-CQSZACIVSA-N 1 2 342.399 1.391 20 30 EDEDLO C[C@@H]1COCCC[N@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000772821646 580321335 /nfs/dbraw/zinc/32/13/35/580321335.db2.gz MBUWSDSVLMKZRY-CQSZACIVSA-N 1 2 342.399 1.391 20 30 EDEDLO C#C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCO1 ZINC000772872784 580322250 /nfs/dbraw/zinc/32/22/50/580322250.db2.gz OYWBTGIODVUMJB-ZWKOTPCHSA-N 1 2 328.412 1.429 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000775537961 580393192 /nfs/dbraw/zinc/39/31/92/580393192.db2.gz GDVMNSNEWBWQEQ-ZDUSSCGKSA-N 1 2 346.456 1.896 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)nc1 ZINC000776843473 580429912 /nfs/dbraw/zinc/42/99/12/580429912.db2.gz VLCKTDHVWHONMH-UHFFFAOYSA-N 1 2 332.367 1.563 20 30 EDEDLO CC(C)[C@H](C(=O)OCCn1ncc(C#N)c1N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000778633317 580469210 /nfs/dbraw/zinc/46/92/10/580469210.db2.gz BFRZJKZJPJJMRX-VNHYZAJKSA-N 1 2 349.435 1.014 20 30 EDEDLO CC(C)[C@H](C(=O)OCCn1ncc(C#N)c1N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000778633317 580469211 /nfs/dbraw/zinc/46/92/11/580469211.db2.gz BFRZJKZJPJJMRX-VNHYZAJKSA-N 1 2 349.435 1.014 20 30 EDEDLO C[C@@H]1C[NH+]=C(NN=C2C(=O)Nc3c2cc(F)cc3Br)N1 ZINC000779798758 580497652 /nfs/dbraw/zinc/49/76/52/580497652.db2.gz GIAGMTYWIBSBRC-RXMQYKEDSA-N 1 2 340.156 1.182 20 30 EDEDLO Cc1cc(Br)cc2c1NC(=O)C2=NNC1=[NH+]C[C@H](C)N1 ZINC000779805089 580497998 /nfs/dbraw/zinc/49/79/98/580497998.db2.gz KCTAEMGQEZBCQS-ZETCQYMHSA-N 1 2 336.193 1.351 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)nc1 ZINC000780647622 580530109 /nfs/dbraw/zinc/53/01/09/580530109.db2.gz UBGUBVHVHOQCNC-UHFFFAOYSA-N 1 2 325.372 1.574 20 30 EDEDLO Cn1c(N2CCOCC2)nn(C[NH+]2CCC(CC#N)CC2)c1=S ZINC000781571477 580552653 /nfs/dbraw/zinc/55/26/53/580552653.db2.gz GIJLEZLRIDMBNE-UHFFFAOYSA-N 1 2 336.465 1.371 20 30 EDEDLO CCC(CC)[C@H](C(=O)NCc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000782028960 580564572 /nfs/dbraw/zinc/56/45/72/580564572.db2.gz MITFKSOIZKRYBX-QGZVFWFLSA-N 1 2 330.432 1.706 20 30 EDEDLO C#CCCCCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000783015127 580591713 /nfs/dbraw/zinc/59/17/13/580591713.db2.gz XJYIHSJFAUALBE-CQSZACIVSA-N 1 2 331.420 1.014 20 30 EDEDLO C#CCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000784551469 580623724 /nfs/dbraw/zinc/62/37/24/580623724.db2.gz ZZWOAMCWDSKERJ-HNNXBMFYSA-N 1 2 330.363 1.598 20 30 EDEDLO COCCN(C)c1ccc(C=[NH+]Nc2cn[nH]c(=O)c2Cl)cn1 ZINC000790155425 580763483 /nfs/dbraw/zinc/76/34/83/580763483.db2.gz JSICXNBOAYAIGZ-UHFFFAOYSA-N 1 2 336.783 1.759 20 30 EDEDLO Cc1nc(C#N)c(N2CCC(C(=O)OCc3cc[nH+]c(N)c3)CC2)o1 ZINC000792279837 580816211 /nfs/dbraw/zinc/81/62/11/580816211.db2.gz LSMVWZYJRIDCTA-UHFFFAOYSA-N 1 2 341.371 1.792 20 30 EDEDLO COCCCN[NH+]=Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O ZINC000794544626 580896967 /nfs/dbraw/zinc/89/69/67/580896967.db2.gz ZYFBBXCGGWYOKL-UHFFFAOYSA-N 1 2 337.383 1.921 20 30 EDEDLO C#CCNC(=O)[C@@H](C)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796003026 580943213 /nfs/dbraw/zinc/94/32/13/580943213.db2.gz LDFRKOVPXWTLOQ-SECBINFHSA-N 1 2 335.310 1.304 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000798414418 580996797 /nfs/dbraw/zinc/99/67/97/580996797.db2.gz MUQKRPNVJMWPLK-DOMZBBRYSA-N 1 2 339.386 1.641 20 30 EDEDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801911754 581087760 /nfs/dbraw/zinc/08/77/60/581087760.db2.gz BHMKOYAVBAJMEA-QGZVFWFLSA-N 1 2 344.459 1.788 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000801932666 581088485 /nfs/dbraw/zinc/08/84/85/581088485.db2.gz UCHHCGMLVMKGMG-IXDOHACOSA-N 1 2 336.480 1.228 20 30 EDEDLO C=CCC1(O)CCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000891987181 590728744 /nfs/dbraw/zinc/72/87/44/590728744.db2.gz RDKBMVKUQFNIAK-UHFFFAOYSA-N 1 2 346.431 1.324 20 30 EDEDLO COC(=O)C1CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000014220840 590731727 /nfs/dbraw/zinc/73/17/27/590731727.db2.gz IXLRZOFQNDCWTB-UHFFFAOYSA-N 1 2 340.383 1.305 20 30 EDEDLO C=CC(C)(C)CC(=O)O[C@@H]1C[C@@H]2C(=O)NCc3ccc[nH+]c3N2C1 ZINC000893287046 590755493 /nfs/dbraw/zinc/75/54/93/590755493.db2.gz QLHRWKJTJTVIIO-ZIAGYGMSSA-N 1 2 329.400 1.804 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnn(C)c1C1CC1 ZINC000892222784 590872222 /nfs/dbraw/zinc/87/22/22/590872222.db2.gz AKAJERRDUOANDM-CYBMUJFWSA-N 1 2 337.431 1.670 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnn(C)c1C1CC1 ZINC000892222784 590872224 /nfs/dbraw/zinc/87/22/24/590872224.db2.gz AKAJERRDUOANDM-CYBMUJFWSA-N 1 2 337.431 1.670 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)[C@H](C)Oc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893562762 590961783 /nfs/dbraw/zinc/96/17/83/590961783.db2.gz OFUNXIYRINEKMI-QITLCBANSA-N 1 2 346.383 1.505 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)[C@H](C)Oc2ccc(C#N)cc2)C[N@H+]1C ZINC000893562762 590961788 /nfs/dbraw/zinc/96/17/88/590961788.db2.gz OFUNXIYRINEKMI-QITLCBANSA-N 1 2 346.383 1.505 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)C)nc2)C1 ZINC000891607532 591145691 /nfs/dbraw/zinc/14/56/91/591145691.db2.gz OGJPHBZDJGTBLK-HNNXBMFYSA-N 1 2 344.415 1.021 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)C)nc2)C1 ZINC000891607532 591145693 /nfs/dbraw/zinc/14/56/93/591145693.db2.gz OGJPHBZDJGTBLK-HNNXBMFYSA-N 1 2 344.415 1.021 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc3cccnc32)C1 ZINC000891608769 591148528 /nfs/dbraw/zinc/14/85/28/591148528.db2.gz YTJQKWAIVXYUIL-HNNXBMFYSA-N 1 2 336.395 1.387 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc3cccnc32)C1 ZINC000891608769 591148529 /nfs/dbraw/zinc/14/85/29/591148529.db2.gz YTJQKWAIVXYUIL-HNNXBMFYSA-N 1 2 336.395 1.387 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ncc(Br)cc2O)C1=O ZINC000894231661 591238189 /nfs/dbraw/zinc/23/81/89/591238189.db2.gz QQAPJAFAFAPHOI-GFCCVEGCSA-N 1 2 340.221 1.768 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ncc(Br)cc2O)C1=O ZINC000894231661 591238191 /nfs/dbraw/zinc/23/81/91/591238191.db2.gz QQAPJAFAFAPHOI-GFCCVEGCSA-N 1 2 340.221 1.768 20 30 EDEDLO C#CCSCC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000896304304 591414496 /nfs/dbraw/zinc/41/44/96/591414496.db2.gz LAVZHNUEHNPNJU-KRWDZBQOSA-N 1 2 332.469 1.413 20 30 EDEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000898884468 591577557 /nfs/dbraw/zinc/57/75/57/591577557.db2.gz QUNFYFMYMUOJIW-CVEARBPZSA-N 1 2 339.399 1.110 20 30 EDEDLO O=C1[C@@H]([NH2+]Cc2cc3c(cc2Br)OCO3)CCCN1O ZINC000895165539 591631952 /nfs/dbraw/zinc/63/19/52/591631952.db2.gz LFDLYXQQQXCFRX-JTQLQIEISA-N 1 2 343.177 1.648 20 30 EDEDLO C=CCOc1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000899055023 591653689 /nfs/dbraw/zinc/65/36/89/591653689.db2.gz FABBOYNKZDYKBW-UHFFFAOYSA-N 1 2 332.400 1.430 20 30 EDEDLO C=CCOc1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000899055023 591653692 /nfs/dbraw/zinc/65/36/92/591653692.db2.gz FABBOYNKZDYKBW-UHFFFAOYSA-N 1 2 332.400 1.430 20 30 EDEDLO N#C[C@]12CN(Cc3[nH+]ccc4c3CCCC4)C[C@H]1CS(=O)(=O)C2 ZINC000897057542 591725553 /nfs/dbraw/zinc/72/55/53/591725553.db2.gz FOISCBFSKMFYCS-WMLDXEAASA-N 1 2 331.441 1.331 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1[nH]c2ccccc2c1C#N ZINC000898127391 591791818 /nfs/dbraw/zinc/79/18/18/591791818.db2.gz AAHCAQBJMLJQPX-UHFFFAOYSA-N 1 2 326.400 1.880 20 30 EDEDLO C#CC1(O)CC[NH+](Cc2c(NC(=O)OC(C)(C)C)cnn2C)CC1 ZINC000895538845 591795572 /nfs/dbraw/zinc/79/55/72/591795572.db2.gz QVGPSYBYLAZJJX-UHFFFAOYSA-N 1 2 334.420 1.727 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)[C@@H]2[C@H]3CC[C@H](C3=C(C)C)[C@@H]2C1=O ZINC000902320211 591969184 /nfs/dbraw/zinc/96/91/84/591969184.db2.gz YMOBPFRFHGITFO-YJEJQGFLSA-N 1 2 344.455 1.893 20 30 EDEDLO CC(C)[C@@]1(C)NC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902600083 592022527 /nfs/dbraw/zinc/02/25/27/592022527.db2.gz PNLUCBQFPRTUJD-MRXNPFEDSA-N 1 2 335.404 1.248 20 30 EDEDLO Cc1[nH]nc(Cl)c1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000900457081 592022687 /nfs/dbraw/zinc/02/26/87/592022687.db2.gz RMNBUHSLBBMUPW-UHFFFAOYSA-N 1 2 325.800 1.060 20 30 EDEDLO N#C[C@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CCO1 ZINC000900605874 592067387 /nfs/dbraw/zinc/06/73/87/592067387.db2.gz NSQIQGRBMMZZJV-INIZCTEOSA-N 1 2 325.372 1.360 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903026563 592107750 /nfs/dbraw/zinc/10/77/50/592107750.db2.gz JBQZYEAKOHOHKX-GFCCVEGCSA-N 1 2 328.401 1.535 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903026563 592107752 /nfs/dbraw/zinc/10/77/52/592107752.db2.gz JBQZYEAKOHOHKX-GFCCVEGCSA-N 1 2 328.401 1.535 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccsc1C#N)C2 ZINC000908114037 592326980 /nfs/dbraw/zinc/32/69/80/592326980.db2.gz CKKOOAJDJWASDR-LLVKDONJSA-N 1 2 330.413 1.404 20 30 EDEDLO N#Cc1ccc(CNC(=O)c2cccn2CC[NH+]2CCOCC2)nc1 ZINC000908214823 592389143 /nfs/dbraw/zinc/38/91/43/592389143.db2.gz RCOVZRZVUZHQFB-UHFFFAOYSA-N 1 2 339.399 1.017 20 30 EDEDLO CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccccc1C#N ZINC000903971493 592396555 /nfs/dbraw/zinc/39/65/55/592396555.db2.gz PPUMCOGSLRKSHG-WBVHZDCISA-N 1 2 329.400 1.401 20 30 EDEDLO C=CC[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)OC ZINC000901728111 592446269 /nfs/dbraw/zinc/44/62/69/592446269.db2.gz KVJSLRIOPTWVEZ-VHSXEESVSA-N 1 2 328.210 1.668 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000906992094 592464739 /nfs/dbraw/zinc/46/47/39/592464739.db2.gz RELKYKBBSYTGOD-MRXNPFEDSA-N 1 2 334.441 1.011 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cc1 ZINC000907006022 592473527 /nfs/dbraw/zinc/47/35/27/592473527.db2.gz HASUFTDFOLMZOD-CYBMUJFWSA-N 1 2 349.481 1.466 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000907175243 592534846 /nfs/dbraw/zinc/53/48/46/592534846.db2.gz MPFOSNHPJJFNRI-UHFFFAOYSA-N 1 2 343.412 1.168 20 30 EDEDLO CN(C[C@H]1CCn2cc[nH+]c2C1)S(=O)(=O)c1ccc(C#N)cn1 ZINC000907156421 592540549 /nfs/dbraw/zinc/54/05/49/592540549.db2.gz VQGJSGQAQPTLDH-LBPRGKRZSA-N 1 2 331.401 1.033 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC1CC1 ZINC000905495145 592553129 /nfs/dbraw/zinc/55/31/29/592553129.db2.gz HOHFQTFXTVBPMR-GOSISDBHSA-N 1 2 341.415 1.726 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)cc1 ZINC000907227774 592558351 /nfs/dbraw/zinc/55/83/51/592558351.db2.gz ZDCLUPKKGNPWLE-OAHLLOKOSA-N 1 2 347.440 1.440 20 30 EDEDLO C=CC[C@H]([NH2+][C@@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1)C(=O)OC ZINC000905767621 592640767 /nfs/dbraw/zinc/64/07/67/592640767.db2.gz NBGXAMLONBNSOA-VWYCJHECSA-N 1 2 340.449 1.771 20 30 EDEDLO CC[C@](O)(C[NH+]1CCN(c2ncccc2C#N)CC1)C(F)(F)F ZINC000905900602 592673117 /nfs/dbraw/zinc/67/31/17/592673117.db2.gz YHCQRDYHTCLMPF-AWEZNQCLSA-N 1 2 328.338 1.779 20 30 EDEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)C(F)(F)c2ccccc2C#N)[C@H](C)C1 ZINC000907520730 592701450 /nfs/dbraw/zinc/70/14/50/592701450.db2.gz ZDGZNWLSGIQXRG-OLZOCXBDSA-N 1 2 337.370 1.564 20 30 EDEDLO C[C@H](O)C[N@H+]1CCN(C(=O)C(F)(F)c2ccccc2C#N)[C@H](C)C1 ZINC000907520730 592701452 /nfs/dbraw/zinc/70/14/52/592701452.db2.gz ZDGZNWLSGIQXRG-OLZOCXBDSA-N 1 2 337.370 1.564 20 30 EDEDLO CC[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000907812022 592802176 /nfs/dbraw/zinc/80/21/76/592802176.db2.gz GRCFKAMYIKMMTJ-JKSUJKDBSA-N 1 2 349.431 1.311 20 30 EDEDLO CC[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000907812022 592802177 /nfs/dbraw/zinc/80/21/77/592802177.db2.gz GRCFKAMYIKMMTJ-JKSUJKDBSA-N 1 2 349.431 1.311 20 30 EDEDLO CC[N@@H+]1CCCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)[C@H](C)C1 ZINC000910292526 592831887 /nfs/dbraw/zinc/83/18/87/592831887.db2.gz QQFAORAFIMNUJE-LLVKDONJSA-N 1 2 334.445 1.937 20 30 EDEDLO CC[N@H+]1CCCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)[C@H](C)C1 ZINC000910292526 592831889 /nfs/dbraw/zinc/83/18/89/592831889.db2.gz QQFAORAFIMNUJE-LLVKDONJSA-N 1 2 334.445 1.937 20 30 EDEDLO CN(CCCF)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000910541230 592873760 /nfs/dbraw/zinc/87/37/60/592873760.db2.gz WKSMZKAWQHPYMI-UHFFFAOYSA-N 1 2 346.406 1.020 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000910841888 592895851 /nfs/dbraw/zinc/89/58/51/592895851.db2.gz MPDOGQHMTYYXSQ-SUMWQHHRSA-N 1 2 329.404 1.236 20 30 EDEDLO N#CCN1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000730676488 592916310 /nfs/dbraw/zinc/91/63/10/592916310.db2.gz XJHLKPDKQQOLCT-UHFFFAOYSA-N 1 2 338.415 1.659 20 30 EDEDLO Cc1c[nH]c([C@]2(NC(=O)c3cccc(C#CCO)c3)CCOC2)[nH+]1 ZINC000911416264 593019390 /nfs/dbraw/zinc/01/93/90/593019390.db2.gz ZAOFBXINHPDTHO-SFHVURJKSA-N 1 2 325.368 1.108 20 30 EDEDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000736817518 593040687 /nfs/dbraw/zinc/04/06/87/593040687.db2.gz BQDCZRQQPDRWNX-INIZCTEOSA-N 1 2 347.382 1.397 20 30 EDEDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000736817518 593040689 /nfs/dbraw/zinc/04/06/89/593040689.db2.gz BQDCZRQQPDRWNX-INIZCTEOSA-N 1 2 347.382 1.397 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888411310 593053254 /nfs/dbraw/zinc/05/32/54/593053254.db2.gz UTXKQIFGGQBYHN-UHFFFAOYSA-N 1 2 343.840 1.854 20 30 EDEDLO NC(=[NH+]OCc1nnnn1C1CC1)c1ccc(Br)cc1 ZINC000782950062 593131119 /nfs/dbraw/zinc/13/11/19/593131119.db2.gz RDPYOXIMAQQIJN-UHFFFAOYSA-N 1 2 337.181 1.608 20 30 EDEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000807280719 593159792 /nfs/dbraw/zinc/15/97/92/593159792.db2.gz JYUPRZZCCNTJSB-OAHLLOKOSA-N 1 2 338.367 1.410 20 30 EDEDLO Nc1nc(Cl)c(C=[NH+]N[C@@H]2CCSC2)c(N2CCCC2)n1 ZINC000808001379 593214764 /nfs/dbraw/zinc/21/47/64/593214764.db2.gz ASLZMLQJLUYYNW-SECBINFHSA-N 1 2 326.857 1.741 20 30 EDEDLO CCN1C(=O)CN(C[N@H+](C)CCOCc2ccc(C#N)cc2)C1=O ZINC000808235730 593244241 /nfs/dbraw/zinc/24/42/41/593244241.db2.gz DCTYPOUKVOYLER-UHFFFAOYSA-N 1 2 330.388 1.248 20 30 EDEDLO CCN1C(=O)CN(C[N@@H+](C)CCOCc2ccc(C#N)cc2)C1=O ZINC000808235730 593244242 /nfs/dbraw/zinc/24/42/42/593244242.db2.gz DCTYPOUKVOYLER-UHFFFAOYSA-N 1 2 330.388 1.248 20 30 EDEDLO C=CCN1CCN(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)C1=O ZINC000839969588 593261550 /nfs/dbraw/zinc/26/15/50/593261550.db2.gz LDTQNDHOGDDUER-UHFFFAOYSA-N 1 2 348.472 1.823 20 30 EDEDLO C[C@@H](C#N)OCCON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000802733015 593273815 /nfs/dbraw/zinc/27/38/15/593273815.db2.gz RUBLCFVZMAUGIH-GOEBONIOSA-N 1 2 332.404 1.315 20 30 EDEDLO C[C@@H](C#N)OCCON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000802733015 593273818 /nfs/dbraw/zinc/27/38/18/593273818.db2.gz RUBLCFVZMAUGIH-GOEBONIOSA-N 1 2 332.404 1.315 20 30 EDEDLO C#CCCCS(=O)(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000804986416 593323414 /nfs/dbraw/zinc/32/34/14/593323414.db2.gz OJQGTLAPLTXJEP-UHFFFAOYSA-N 1 2 336.457 1.997 20 30 EDEDLO C#C[C@@H]([NH2+]CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)[C@@H]1CCCO1 ZINC000839565512 593339425 /nfs/dbraw/zinc/33/94/25/593339425.db2.gz YAMGNRWEYUKITJ-HIFRSBDPSA-N 1 2 332.400 1.761 20 30 EDEDLO CC(C)[N@H+](C[C@@H]1CCC(=O)N1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000840191386 593378059 /nfs/dbraw/zinc/37/80/59/593378059.db2.gz YISQMBWTOQCMLJ-HNNXBMFYSA-N 1 2 342.443 1.545 20 30 EDEDLO CC(C)[N@@H+](C[C@@H]1CCC(=O)N1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000840191386 593378062 /nfs/dbraw/zinc/37/80/62/593378062.db2.gz YISQMBWTOQCMLJ-HNNXBMFYSA-N 1 2 342.443 1.545 20 30 EDEDLO C#Cc1ccccc1CC(=O)O[C@H]1CCC[N@@H+](CC(=O)OCC)C1 ZINC000810599530 593415588 /nfs/dbraw/zinc/41/55/88/593415588.db2.gz WKIPOOIZKXXFFC-KRWDZBQOSA-N 1 2 329.396 1.781 20 30 EDEDLO C#Cc1ccccc1CC(=O)O[C@H]1CCC[N@H+](CC(=O)OCC)C1 ZINC000810599530 593415590 /nfs/dbraw/zinc/41/55/90/593415590.db2.gz WKIPOOIZKXXFFC-KRWDZBQOSA-N 1 2 329.396 1.781 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000805470753 593456034 /nfs/dbraw/zinc/45/60/34/593456034.db2.gz WMZNQUDDTDJATC-CQSZACIVSA-N 1 2 342.355 1.372 20 30 EDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000805470753 593456036 /nfs/dbraw/zinc/45/60/36/593456036.db2.gz WMZNQUDDTDJATC-CQSZACIVSA-N 1 2 342.355 1.372 20 30 EDEDLO COc1cc(CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)ccc1C#N ZINC000812021450 593488733 /nfs/dbraw/zinc/48/87/33/593488733.db2.gz XDJPKEYWALMMIN-CYBMUJFWSA-N 1 2 332.404 1.087 20 30 EDEDLO COc1cc(CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)ccc1C#N ZINC000812021450 593488734 /nfs/dbraw/zinc/48/87/34/593488734.db2.gz XDJPKEYWALMMIN-CYBMUJFWSA-N 1 2 332.404 1.087 20 30 EDEDLO CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000812865590 593511278 /nfs/dbraw/zinc/51/12/78/593511278.db2.gz PTNYGJRZRCRBQJ-WFASDCNBSA-N 1 2 340.383 1.357 20 30 EDEDLO CC1(C)[C@@H](O)CC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000812865590 593511279 /nfs/dbraw/zinc/51/12/79/593511279.db2.gz PTNYGJRZRCRBQJ-WFASDCNBSA-N 1 2 340.383 1.357 20 30 EDEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(C#N)o2)CC1 ZINC000814296010 593581945 /nfs/dbraw/zinc/58/19/45/593581945.db2.gz NNTICHDJGDBSMJ-UHFFFAOYSA-N 1 2 338.367 1.791 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)cn1 ZINC000815103927 593615290 /nfs/dbraw/zinc/61/52/90/593615290.db2.gz VWWLWAPQKHSZMQ-UHFFFAOYSA-N 1 2 339.355 1.889 20 30 EDEDLO C#CCCCOc1cccnc1N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000820675004 593860413 /nfs/dbraw/zinc/86/04/13/593860413.db2.gz DOYNBGWZTPJAEZ-MRXNPFEDSA-N 1 2 333.432 1.003 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2ccc(C#N)cn2)cc1 ZINC000822949846 594126950 /nfs/dbraw/zinc/12/69/50/594126950.db2.gz RLFYKPRWKZMCMK-SFHVURJKSA-N 1 2 336.395 1.853 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2ccc(C#N)cn2)cc1 ZINC000822949846 594126951 /nfs/dbraw/zinc/12/69/51/594126951.db2.gz RLFYKPRWKZMCMK-SFHVURJKSA-N 1 2 336.395 1.853 20 30 EDEDLO CN(C)c1nccc(C=[NH+]Nc2ccc(-c3nn[nH]n3)c(Cl)c2)n1 ZINC000825887602 594269391 /nfs/dbraw/zinc/26/93/91/594269391.db2.gz JDIMMUDZKFNEDJ-UHFFFAOYSA-N 1 2 343.782 1.822 20 30 EDEDLO COc1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1-c1nn[nH]n1 ZINC000826191019 594369692 /nfs/dbraw/zinc/36/96/92/594369692.db2.gz UPPYRNNYNNJGIT-CHWSQXEVSA-N 1 2 340.391 1.069 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCOC[C@@H](O)C2)cc1 ZINC000830623590 594441269 /nfs/dbraw/zinc/44/12/69/594441269.db2.gz WOKKXFWZHVUBRA-WBVHZDCISA-N 1 2 331.416 1.323 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCOC[C@@H](O)C2)cc1 ZINC000830623590 594441271 /nfs/dbraw/zinc/44/12/71/594441271.db2.gz WOKKXFWZHVUBRA-WBVHZDCISA-N 1 2 331.416 1.323 20 30 EDEDLO C#CCN(CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C(=O)OC(C)(C)C ZINC000830663179 594450755 /nfs/dbraw/zinc/45/07/55/594450755.db2.gz ZVYKSJLMIJKKPE-GFCCVEGCSA-N 1 2 332.404 1.254 20 30 EDEDLO C#CCN(CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C(=O)OC(C)(C)C ZINC000830663179 594450757 /nfs/dbraw/zinc/45/07/57/594450757.db2.gz ZVYKSJLMIJKKPE-GFCCVEGCSA-N 1 2 332.404 1.254 20 30 EDEDLO CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2ccncc2C#N)CC1 ZINC000828631819 594468463 /nfs/dbraw/zinc/46/84/63/594468463.db2.gz JSALTGODAJPBDP-UHFFFAOYSA-N 1 2 346.431 1.805 20 30 EDEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826589218 594533632 /nfs/dbraw/zinc/53/36/32/594533632.db2.gz GZVJUQUODIYQSF-WMZOPIPTSA-N 1 2 330.428 1.350 20 30 EDEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826589218 594533634 /nfs/dbraw/zinc/53/36/34/594533634.db2.gz GZVJUQUODIYQSF-WMZOPIPTSA-N 1 2 330.428 1.350 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CSC(c3ccccc3O)=N2)CC1 ZINC000827519367 594678250 /nfs/dbraw/zinc/67/82/50/594678250.db2.gz LTRMIWLBAPYSTH-CQSZACIVSA-N 1 2 329.425 1.032 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC000832517421 594755899 /nfs/dbraw/zinc/75/58/99/594755899.db2.gz JYYLGGAXHYHAQV-GOSISDBHSA-N 1 2 347.409 1.879 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)CC1 ZINC000832517421 594755900 /nfs/dbraw/zinc/75/59/00/594755900.db2.gz JYYLGGAXHYHAQV-GOSISDBHSA-N 1 2 347.409 1.879 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1cccc(OCC#N)c1 ZINC000841597888 594928239 /nfs/dbraw/zinc/92/82/39/594928239.db2.gz GTBNPNZGXKVKGS-UHFFFAOYSA-N 1 2 332.404 1.821 20 30 EDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836496149 594969575 /nfs/dbraw/zinc/96/95/75/594969575.db2.gz CFMQWHIWGFJKDO-SOUVJXGZSA-N 1 2 344.415 1.962 20 30 EDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836496149 594969577 /nfs/dbraw/zinc/96/95/77/594969577.db2.gz CFMQWHIWGFJKDO-SOUVJXGZSA-N 1 2 344.415 1.962 20 30 EDEDLO N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000836515352 594970696 /nfs/dbraw/zinc/97/06/96/594970696.db2.gz ALWHASOHBIFKGP-OAHLLOKOSA-N 1 2 336.399 1.731 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)C1=O ZINC000842235559 595048091 /nfs/dbraw/zinc/04/80/91/595048091.db2.gz HTOLVWUWSHUZDJ-IRXDYDNUSA-N 1 2 341.411 1.312 20 30 EDEDLO C#CC[C@@H]1NC(=O)N([C@H](C[NH+]2CCOCC2)c2ccccc2)C1=O ZINC000842235694 595048122 /nfs/dbraw/zinc/04/81/22/595048122.db2.gz MLXRWIMRFHQGBA-JKSUJKDBSA-N 1 2 327.384 1.004 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000843244759 595048679 /nfs/dbraw/zinc/04/86/79/595048679.db2.gz QWWLNVHOYPQEEX-HUUCEWRRSA-N 1 2 328.416 1.378 20 30 EDEDLO C[N@@H+](Cc1cn(Cc2cccnc2)nn1)C[C@H](O)c1cccc(C#N)c1 ZINC000846008216 595121044 /nfs/dbraw/zinc/12/10/44/595121044.db2.gz UBLHLXRUPICFHY-IBGZPJMESA-N 1 2 348.410 1.758 20 30 EDEDLO C[N@H+](Cc1cn(Cc2cccnc2)nn1)C[C@H](O)c1cccc(C#N)c1 ZINC000846008216 595121046 /nfs/dbraw/zinc/12/10/46/595121046.db2.gz UBLHLXRUPICFHY-IBGZPJMESA-N 1 2 348.410 1.758 20 30 EDEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N(C)[C@@H](C)CO ZINC000842544459 595127591 /nfs/dbraw/zinc/12/75/91/595127591.db2.gz TYGLEWIKRBQHPM-NSHDSACASA-N 1 2 337.383 1.607 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000834585448 595168752 /nfs/dbraw/zinc/16/87/52/595168752.db2.gz AWHCRJAIAIIBFA-HNNXBMFYSA-N 1 2 328.416 1.262 20 30 EDEDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)Cc1ccccc1CC#N ZINC000842982093 595255529 /nfs/dbraw/zinc/25/55/29/595255529.db2.gz ZVGQGASEZMKJCE-MAUKXSAKSA-N 1 2 346.427 1.574 20 30 EDEDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)Cc1ccccc1CC#N ZINC000842982093 595255532 /nfs/dbraw/zinc/25/55/32/595255532.db2.gz ZVGQGASEZMKJCE-MAUKXSAKSA-N 1 2 346.427 1.574 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)cn1 ZINC000844140652 595284385 /nfs/dbraw/zinc/28/43/85/595284385.db2.gz TZAPSRMDAWIQLB-CQSZACIVSA-N 1 2 336.399 1.061 20 30 EDEDLO CCN1C[C@@H](C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)OC1=O ZINC000846850528 595326805 /nfs/dbraw/zinc/32/68/05/595326805.db2.gz JHVLWZHEMOHWAJ-SJORKVTESA-N 1 2 346.406 1.849 20 30 EDEDLO Cn1c(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)nc2ccccc2c1=O ZINC000844366292 595331379 /nfs/dbraw/zinc/33/13/79/595331379.db2.gz MACITJUDDHVMRD-GOSISDBHSA-N 1 2 348.406 1.971 20 30 EDEDLO Cn1c(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)nc2ccccc2c1=O ZINC000844366292 595331382 /nfs/dbraw/zinc/33/13/82/595331382.db2.gz MACITJUDDHVMRD-GOSISDBHSA-N 1 2 348.406 1.971 20 30 EDEDLO C#CC[C@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)C(=O)OC ZINC000848219784 595341342 /nfs/dbraw/zinc/34/13/42/595341342.db2.gz CXVRJNXEEAJZDM-ZJUUUORDSA-N 1 2 331.294 1.137 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000847022905 595352396 /nfs/dbraw/zinc/35/23/96/595352396.db2.gz JPDZXUJTCHOKNF-BZUAXINKSA-N 1 2 340.489 1.146 20 30 EDEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000847022905 595352399 /nfs/dbraw/zinc/35/23/99/595352399.db2.gz JPDZXUJTCHOKNF-BZUAXINKSA-N 1 2 340.489 1.146 20 30 EDEDLO Cc1c2c(ccc1Br)C(=NNC1=[NH+]C[C@H](C)N1)C(=O)N2 ZINC000848407898 595374383 /nfs/dbraw/zinc/37/43/83/595374383.db2.gz DLOHHKHEUXTQKO-LURJTMIESA-N 1 2 336.193 1.351 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)C1 ZINC000848492591 595395577 /nfs/dbraw/zinc/39/55/77/595395577.db2.gz FSHKCGOUXWRRCU-FZKQIMNGSA-N 1 2 329.375 1.895 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)C1 ZINC000848492591 595395579 /nfs/dbraw/zinc/39/55/79/595395579.db2.gz FSHKCGOUXWRRCU-FZKQIMNGSA-N 1 2 329.375 1.895 20 30 EDEDLO N#C[C@@H](C(=O)Cc1cn2c([nH+]1)CCCC2)c1nnc2n1CCCCC2 ZINC000845445150 595498654 /nfs/dbraw/zinc/49/86/54/595498654.db2.gz GWWZYQSESOAPSA-AWEZNQCLSA-N 1 2 338.415 1.956 20 30 EDEDLO C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757056 595528976 /nfs/dbraw/zinc/52/89/76/595528976.db2.gz IGJCIWQXKKCUMJ-MFKMUULPSA-N 1 2 326.322 1.842 20 30 EDEDLO N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000855300487 595666914 /nfs/dbraw/zinc/66/69/14/595666914.db2.gz VISRLCHVGADNJP-BEFAXECRSA-N 1 2 335.411 1.924 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC(C(=O)NCCOC)CC1 ZINC000853136003 595675755 /nfs/dbraw/zinc/67/57/55/595675755.db2.gz QSFRZQYTYFWJQG-UHFFFAOYSA-N 1 2 345.443 1.853 20 30 EDEDLO C=CC[N@@H+](CN1C(=O)N[C@@](CC)(c2cnn(C)c2)C1=O)[C@@H](C)COC ZINC000853535676 595789149 /nfs/dbraw/zinc/78/91/49/595789149.db2.gz ZDGDKFDZTHXGIA-GUYCJALGSA-N 1 2 349.435 1.058 20 30 EDEDLO C=CC[N@H+](CN1C(=O)N[C@@](CC)(c2cnn(C)c2)C1=O)[C@@H](C)COC ZINC000853535676 595789153 /nfs/dbraw/zinc/78/91/53/595789153.db2.gz ZDGDKFDZTHXGIA-GUYCJALGSA-N 1 2 349.435 1.058 20 30 EDEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c1=S ZINC000853594640 595821945 /nfs/dbraw/zinc/82/19/45/595821945.db2.gz JOYRFYIAZAJKPN-AWEZNQCLSA-N 1 2 335.477 1.810 20 30 EDEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c1=S ZINC000853594640 595821946 /nfs/dbraw/zinc/82/19/46/595821946.db2.gz JOYRFYIAZAJKPN-AWEZNQCLSA-N 1 2 335.477 1.810 20 30 EDEDLO C#CC[C@H](COC)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000859027539 595954914 /nfs/dbraw/zinc/95/49/14/595954914.db2.gz DTWRNWHBWJLXCZ-GOSISDBHSA-N 1 2 340.427 1.424 20 30 EDEDLO C#CCOCC[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000852006227 596005294 /nfs/dbraw/zinc/00/52/94/596005294.db2.gz IHPHKHARVBVFSQ-UHFFFAOYSA-N 1 2 345.262 1.839 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(Br)c(OC)c2)CC1 ZINC000859357125 596062799 /nfs/dbraw/zinc/06/27/99/596062799.db2.gz IMIOQGJIYUUMOA-UHFFFAOYSA-N 1 2 337.217 1.849 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000861763005 596094122 /nfs/dbraw/zinc/09/41/22/596094122.db2.gz JCYGVEAJODJLBE-CYBMUJFWSA-N 1 2 347.419 1.882 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000861763005 596094126 /nfs/dbraw/zinc/09/41/26/596094126.db2.gz JCYGVEAJODJLBE-CYBMUJFWSA-N 1 2 347.419 1.882 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1)c1ccccc1 ZINC000852431266 596156525 /nfs/dbraw/zinc/15/65/25/596156525.db2.gz HEFXCQKSJWTQOO-INIZCTEOSA-N 1 2 342.399 1.460 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H](N2CCOC2=O)C1)c1ccccc1 ZINC000852431266 596156527 /nfs/dbraw/zinc/15/65/27/596156527.db2.gz HEFXCQKSJWTQOO-INIZCTEOSA-N 1 2 342.399 1.460 20 30 EDEDLO C#C[C@](C)(CC)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000854698551 596164642 /nfs/dbraw/zinc/16/46/42/596164642.db2.gz BKFYHOJLTNFVNY-LJQANCHMSA-N 1 2 330.428 1.980 20 30 EDEDLO C#C[C@](C)(CC)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000854698551 596164644 /nfs/dbraw/zinc/16/46/44/596164644.db2.gz BKFYHOJLTNFVNY-LJQANCHMSA-N 1 2 330.428 1.980 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000862190630 596267214 /nfs/dbraw/zinc/26/72/14/596267214.db2.gz YAUMLHWACNRTSF-CQSZACIVSA-N 1 2 340.383 1.355 20 30 EDEDLO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH+]1CCN(CC#N)CC1 ZINC000862238361 596283669 /nfs/dbraw/zinc/28/36/69/596283669.db2.gz UOKANNCQUODAMK-ZDUSSCGKSA-N 1 2 344.406 1.772 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ccccc1 ZINC000868735925 596289606 /nfs/dbraw/zinc/28/96/06/596289606.db2.gz KQNBLFLYNQEOSO-IBGZPJMESA-N 1 2 349.438 1.721 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000870774416 596351128 /nfs/dbraw/zinc/35/11/28/596351128.db2.gz OAGHPZORRXPSHW-BBWFWOEESA-N 1 2 326.396 1.999 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)OC)cc1 ZINC000870774416 596351130 /nfs/dbraw/zinc/35/11/30/596351130.db2.gz OAGHPZORRXPSHW-BBWFWOEESA-N 1 2 326.396 1.999 20 30 EDEDLO Cc1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1C#N ZINC000867711713 596509237 /nfs/dbraw/zinc/50/92/37/596509237.db2.gz UHASXQPHRVTTKF-CYBMUJFWSA-N 1 2 325.409 1.579 20 30 EDEDLO Cc1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c1C#N ZINC000867711713 596509238 /nfs/dbraw/zinc/50/92/38/596509238.db2.gz UHASXQPHRVTTKF-CYBMUJFWSA-N 1 2 325.409 1.579 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CCc1cccc(C#N)c1 ZINC000863433361 596583484 /nfs/dbraw/zinc/58/34/84/596583484.db2.gz XRUMZAIAUVWDAB-UHFFFAOYSA-N 1 2 330.432 1.016 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CCc1cccc(C#N)c1 ZINC000863433361 596583488 /nfs/dbraw/zinc/58/34/88/596583488.db2.gz XRUMZAIAUVWDAB-UHFFFAOYSA-N 1 2 330.432 1.016 20 30 EDEDLO N#CCc1ccnc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000871720669 596677273 /nfs/dbraw/zinc/67/72/73/596677273.db2.gz LQISDIJSYHSSFQ-UHFFFAOYSA-N 1 2 336.399 1.892 20 30 EDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 ZINC000865890177 596712391 /nfs/dbraw/zinc/71/23/91/596712391.db2.gz RJWDONJEHGSCED-QAPCUYQASA-N 1 2 328.416 1.607 20 30 EDEDLO C=C(Cl)C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(=O)OCC ZINC000870029284 596716628 /nfs/dbraw/zinc/71/66/28/596716628.db2.gz QOSCYJPMJHQCSU-NEPJUHHUSA-N 1 2 325.796 1.636 20 30 EDEDLO C#CCC1(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000870062500 596730388 /nfs/dbraw/zinc/73/03/88/596730388.db2.gz NUQFQJFNWWKODA-KRWDZBQOSA-N 1 2 334.460 1.520 20 30 EDEDLO CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)Cc2ccc[nH+]c21 ZINC000872304897 596875258 /nfs/dbraw/zinc/87/52/58/596875258.db2.gz QUSYVUJLOBHQNP-UHFFFAOYSA-N 1 2 349.394 1.162 20 30 EDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1CC)c1ccc(F)cc1 ZINC000875724562 596962945 /nfs/dbraw/zinc/96/29/45/596962945.db2.gz XLOXYXMLZKXTBM-IRXDYDNUSA-N 1 2 333.407 1.910 20 30 EDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC)c1ccc(F)cc1 ZINC000875724562 596962947 /nfs/dbraw/zinc/96/29/47/596962947.db2.gz XLOXYXMLZKXTBM-IRXDYDNUSA-N 1 2 333.407 1.910 20 30 EDEDLO C#CC[C@H](COC)NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000875921753 597035282 /nfs/dbraw/zinc/03/52/82/597035282.db2.gz KUAUAWZTLTUJOS-LLVKDONJSA-N 1 2 332.326 1.625 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cn3cnc(-c4ccccc4)n3)CC2)cn1 ZINC000872792968 597072282 /nfs/dbraw/zinc/07/22/82/597072282.db2.gz HAGRJTLMBQSSHB-UHFFFAOYSA-N 1 2 345.410 1.991 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2O)CC1 ZINC000874466677 597092575 /nfs/dbraw/zinc/09/25/75/597092575.db2.gz BWWPYZYYWNGQJK-UHFFFAOYSA-N 1 2 338.363 1.856 20 30 EDEDLO C#CCC1(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCOCC1 ZINC000888662183 597208264 /nfs/dbraw/zinc/20/82/64/597208264.db2.gz IFTKBPFCOKCAFK-OAHLLOKOSA-N 1 2 328.416 1.532 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000876537412 597232812 /nfs/dbraw/zinc/23/28/12/597232812.db2.gz QLRMSSQHDPCYQX-SFHVURJKSA-N 1 2 342.443 1.447 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000877194319 597458043 /nfs/dbraw/zinc/45/80/43/597458043.db2.gz IADQMLFHRNJMOY-UHFFFAOYSA-N 1 2 346.456 1.835 20 30 EDEDLO N#Cc1c(F)cccc1C[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000877568017 597537120 /nfs/dbraw/zinc/53/71/20/597537120.db2.gz WVWMLVMISUKVLO-UHFFFAOYSA-N 1 2 326.393 1.381 20 30 EDEDLO C=CC[N@@H+](C[C@H](O)CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000878241905 597589402 /nfs/dbraw/zinc/58/94/02/597589402.db2.gz JUTJYJAZPKBKQQ-LSDHHAIUSA-N 1 2 331.478 1.108 20 30 EDEDLO C=CC[N@H+](C[C@H](O)CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000878241905 597589403 /nfs/dbraw/zinc/58/94/03/597589403.db2.gz JUTJYJAZPKBKQQ-LSDHHAIUSA-N 1 2 331.478 1.108 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000127893512 597667050 /nfs/dbraw/zinc/66/70/50/597667050.db2.gz CEHZCSAFRVQNMV-UHFFFAOYSA-N 1 2 346.343 1.593 20 30 EDEDLO CC(=O)c1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)CC#N)CC2)c(F)c1 ZINC000878816246 597722771 /nfs/dbraw/zinc/72/27/71/597722771.db2.gz FBYJPFLJFHFHCH-ZDUSSCGKSA-N 1 2 346.406 1.569 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(C#N)cc1OC ZINC000879207919 597849314 /nfs/dbraw/zinc/84/93/14/597849314.db2.gz OVEKVOHQXCVCEN-AWEZNQCLSA-N 1 2 332.404 1.799 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(C#N)cc1OC ZINC000879207919 597849316 /nfs/dbraw/zinc/84/93/16/597849316.db2.gz OVEKVOHQXCVCEN-AWEZNQCLSA-N 1 2 332.404 1.799 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1=O ZINC000879220553 597854642 /nfs/dbraw/zinc/85/46/42/597854642.db2.gz RYVVMYYWYMOBNA-QLFBSQMISA-N 1 2 335.448 1.857 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1=O ZINC000879220553 597854644 /nfs/dbraw/zinc/85/46/44/597854644.db2.gz RYVVMYYWYMOBNA-QLFBSQMISA-N 1 2 335.448 1.857 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000884053175 597979017 /nfs/dbraw/zinc/97/90/17/597979017.db2.gz OBQKSCXDUYAWHN-ZDUSSCGKSA-N 1 2 336.388 1.109 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCN1CCCc2ccccc21 ZINC000884196453 598023602 /nfs/dbraw/zinc/02/36/02/598023602.db2.gz RHVDVXJEKBLGST-HNNXBMFYSA-N 1 2 331.416 1.002 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000884199775 598025688 /nfs/dbraw/zinc/02/56/88/598025688.db2.gz JNFBFVZGOIZUSC-CJNGLKHVSA-N 1 2 349.406 1.215 20 30 EDEDLO CC(C)[C@H](O)CCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000882961962 598118109 /nfs/dbraw/zinc/11/81/09/598118109.db2.gz CHXJANOYTIKWHU-QGZVFWFLSA-N 1 2 335.448 1.563 20 30 EDEDLO N#C[C@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000914329331 695362334 /nfs/dbraw/zinc/36/23/34/695362334.db2.gz ZBSPCJQAFVHOEL-GDBMZVCRSA-N 1 2 338.477 1.139 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)cn1 ZINC001060535743 695835215 /nfs/dbraw/zinc/83/52/15/695835215.db2.gz SWVRXFRPLBYUFH-RRQGHBQHSA-N 1 2 336.399 1.499 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]23)cn1 ZINC001060541583 695893434 /nfs/dbraw/zinc/89/34/34/695893434.db2.gz RALUTSWQXHOGGQ-UHOFOFEASA-N 1 2 336.399 1.568 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cnnn2C)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993282144 695904339 /nfs/dbraw/zinc/90/43/39/695904339.db2.gz PQOMDUOCZQAQEH-BBRMVZONSA-N 1 2 338.415 1.470 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cnnn2C)CCC[N@H+]1Cc1ccccc1C#N ZINC000993282144 695904341 /nfs/dbraw/zinc/90/43/41/695904341.db2.gz PQOMDUOCZQAQEH-BBRMVZONSA-N 1 2 338.415 1.470 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993302872 695929470 /nfs/dbraw/zinc/92/94/70/695929470.db2.gz ULINRCUAQNOIPX-XJKSGUPXSA-N 1 2 338.415 1.470 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993302872 695929472 /nfs/dbraw/zinc/92/94/72/695929472.db2.gz ULINRCUAQNOIPX-XJKSGUPXSA-N 1 2 338.415 1.470 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H]1C ZINC000993335262 695991545 /nfs/dbraw/zinc/99/15/45/695991545.db2.gz VSDDIROPGPTOFS-QWHCGFSZSA-N 1 2 337.855 1.878 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@@H]1C ZINC000993335262 695991547 /nfs/dbraw/zinc/99/15/47/695991547.db2.gz VSDDIROPGPTOFS-QWHCGFSZSA-N 1 2 337.855 1.878 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]23)cn1 ZINC001060557947 695994482 /nfs/dbraw/zinc/99/44/82/695994482.db2.gz SXSGPFIIHBDJFX-OAUYIBNBSA-N 1 2 336.399 1.568 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c(C)nnn2CC)[C@@H]1C ZINC000993427316 696109238 /nfs/dbraw/zinc/10/92/38/696109238.db2.gz GZBSACVVLGYQCH-QWHCGFSZSA-N 1 2 325.844 1.942 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c(C)nnn2CC)[C@@H]1C ZINC000993427316 696109242 /nfs/dbraw/zinc/10/92/42/696109242.db2.gz GZBSACVVLGYQCH-QWHCGFSZSA-N 1 2 325.844 1.942 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H]1C ZINC000993472259 696153380 /nfs/dbraw/zinc/15/33/80/696153380.db2.gz AFFOCPZRXQNAOI-CHWSQXEVSA-N 1 2 338.839 1.722 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H]1C ZINC000993472259 696153385 /nfs/dbraw/zinc/15/33/85/696153385.db2.gz AFFOCPZRXQNAOI-CHWSQXEVSA-N 1 2 338.839 1.722 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cn[nH]n2)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993542379 696216648 /nfs/dbraw/zinc/21/66/48/696216648.db2.gz OKYOKJZVQOCYNT-IAQYHMDHSA-N 1 2 342.378 1.598 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cn[nH]n2)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993542379 696216649 /nfs/dbraw/zinc/21/66/49/696216649.db2.gz OKYOKJZVQOCYNT-IAQYHMDHSA-N 1 2 342.378 1.598 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCNC2=O)[C@@H]1C ZINC000993575646 696229761 /nfs/dbraw/zinc/22/97/61/696229761.db2.gz YQOZVHQUOFDTQG-QWHCGFSZSA-N 1 2 328.844 1.123 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCNC2=O)[C@@H]1C ZINC000993575646 696229763 /nfs/dbraw/zinc/22/97/63/696229763.db2.gz YQOZVHQUOFDTQG-QWHCGFSZSA-N 1 2 328.844 1.123 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)NC1CCC(Nc2ccc(C#N)nc2)CC1 ZINC001060599023 696245058 /nfs/dbraw/zinc/24/50/58/696245058.db2.gz OFCWPRBENPZXGQ-UHFFFAOYSA-N 1 2 338.415 1.769 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2CC2)C1 ZINC000993623679 696288484 /nfs/dbraw/zinc/28/84/84/696288484.db2.gz KFOPBDDSNWIJDN-HUUCEWRRSA-N 1 2 344.459 1.843 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cnon2)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000994045588 696505125 /nfs/dbraw/zinc/50/51/25/696505125.db2.gz VPYLXCGXZSIFAY-NHYWBVRUSA-N 1 2 343.362 1.863 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cnon2)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000994045588 696505126 /nfs/dbraw/zinc/50/51/26/696505126.db2.gz VPYLXCGXZSIFAY-NHYWBVRUSA-N 1 2 343.362 1.863 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC000994209823 696582628 /nfs/dbraw/zinc/58/26/28/696582628.db2.gz POIOBBBQTZDKJG-KBUPBQIOSA-N 1 2 344.459 1.936 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000994209823 696582629 /nfs/dbraw/zinc/58/26/29/696582629.db2.gz POIOBBBQTZDKJG-KBUPBQIOSA-N 1 2 344.459 1.936 20 30 EDEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1sccc1C#N ZINC000916738206 696774767 /nfs/dbraw/zinc/77/47/67/696774767.db2.gz XCCNFFJWISFKLB-GFCCVEGCSA-N 1 2 345.428 1.986 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C(N)=O)n2)[C@H]1C ZINC000994496429 696937565 /nfs/dbraw/zinc/93/75/65/696937565.db2.gz PJKUHLORDUDXQB-NEPJUHHUSA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(N)=O)n2)[C@H]1C ZINC000994496429 696937569 /nfs/dbraw/zinc/93/75/69/696937569.db2.gz PJKUHLORDUDXQB-NEPJUHHUSA-N 1 2 336.823 1.516 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000994562762 697137871 /nfs/dbraw/zinc/13/78/71/697137871.db2.gz MIWCIMKEOCSAHE-UGSOOPFHSA-N 1 2 330.432 1.375 20 30 EDEDLO CCO[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031565075 697256257 /nfs/dbraw/zinc/25/62/57/697256257.db2.gz IPBSOGLDGIWQRP-QZTJIDSGSA-N 1 2 330.403 1.650 20 30 EDEDLO N#Cc1c[nH]c(C(=O)NCC2C[NH+](Cc3ccc(Cl)nc3)C2)c1 ZINC001031603034 697302699 /nfs/dbraw/zinc/30/26/99/697302699.db2.gz DMWJRCABAACHPW-UHFFFAOYSA-N 1 2 329.791 1.797 20 30 EDEDLO N#Cc1c[nH]c(C(=O)NCC2C[NH+](Cc3cccc(Cl)n3)C2)c1 ZINC001031603714 697306273 /nfs/dbraw/zinc/30/62/73/697306273.db2.gz WBGCAMPGBHCBLG-UHFFFAOYSA-N 1 2 329.791 1.797 20 30 EDEDLO N#Cc1ccc(C(=O)NCC2C[NH+](Cc3cccc(Cl)n3)C2)[nH]1 ZINC001031618674 697337462 /nfs/dbraw/zinc/33/74/62/697337462.db2.gz BNKHSDVOPFJHAC-UHFFFAOYSA-N 1 2 329.791 1.797 20 30 EDEDLO COc1ccc(F)cc1C[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031623368 697354431 /nfs/dbraw/zinc/35/44/31/697354431.db2.gz DBYMHFAUOXQTMZ-UHFFFAOYSA-N 1 2 342.374 1.896 20 30 EDEDLO CCn1nccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031633408 697378951 /nfs/dbraw/zinc/37/89/51/697378951.db2.gz UWEVQAHALFVSMB-UHFFFAOYSA-N 1 2 329.429 1.698 20 30 EDEDLO Cc1cn(C)nc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031660286 697434410 /nfs/dbraw/zinc/43/44/10/697434410.db2.gz FBNCRPQWWOOCAJ-UHFFFAOYSA-N 1 2 329.429 1.524 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001031710983 697715423 /nfs/dbraw/zinc/71/54/23/697715423.db2.gz BEQFZRUEGMOWJV-CYBMUJFWSA-N 1 2 327.856 1.434 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001031713086 697725495 /nfs/dbraw/zinc/72/54/95/697725495.db2.gz QGYLYFAGNMEAOV-AWEZNQCLSA-N 1 2 327.856 1.291 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)C1 ZINC000945410763 700224319 /nfs/dbraw/zinc/22/43/19/700224319.db2.gz DJZKWSAKHHSRJC-HOCLYGCPSA-N 1 2 344.459 1.672 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)C[C@@H]2C)nn1 ZINC000943495474 698439913 /nfs/dbraw/zinc/43/99/13/698439913.db2.gz DMURURUZRABKFT-WFASDCNBSA-N 1 2 344.419 1.401 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)C[C@@H]2C)nn1 ZINC000943495474 698439916 /nfs/dbraw/zinc/43/99/16/698439916.db2.gz DMURURUZRABKFT-WFASDCNBSA-N 1 2 344.419 1.401 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000938715483 698542714 /nfs/dbraw/zinc/54/27/14/698542714.db2.gz QOAZQYYWXUVDLT-OAHLLOKOSA-N 1 2 341.415 1.244 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cc4ccccc4o3)CC2)C1 ZINC000941509857 701558854 /nfs/dbraw/zinc/55/88/54/701558854.db2.gz ZZTORTULQXYTNN-UHFFFAOYSA-N 1 2 337.423 1.437 20 30 EDEDLO C=C(Br)C[NH2+][C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1C ZINC000939069372 699136970 /nfs/dbraw/zinc/13/69/70/699136970.db2.gz XFWPKLFRTVTLJX-PSASIEDQSA-N 1 2 343.225 1.084 20 30 EDEDLO C=CCOc1ccc(C(=O)NCC2C[NH+](CC(=O)NC3CC3)C2)cc1 ZINC001031778798 699179052 /nfs/dbraw/zinc/17/90/52/699179052.db2.gz ZGQRPNDAMCALQP-UHFFFAOYSA-N 1 2 343.427 1.192 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccn(C(C)C)c3C)CC2)C1 ZINC000941529800 701572276 /nfs/dbraw/zinc/57/22/76/701572276.db2.gz WAJGTITVYZNMRH-UHFFFAOYSA-N 1 2 328.460 1.453 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCCC3(F)F)CC2)C1 ZINC000941533491 701573453 /nfs/dbraw/zinc/57/34/53/701573453.db2.gz DDCQSESQJHMHOS-CQSZACIVSA-N 1 2 325.403 1.274 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](CC)OC3CCCC3)CC2)C1 ZINC000941590392 701585496 /nfs/dbraw/zinc/58/54/96/701585496.db2.gz NPALYDMCFRUYKN-IBGZPJMESA-N 1 2 347.503 1.576 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnoc3C(C)C)CC2)C1 ZINC000941626617 701599031 /nfs/dbraw/zinc/59/90/31/701599031.db2.gz NXNONJSENPISQQ-UHFFFAOYSA-N 1 2 330.432 1.263 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3oc(CC)nc3C)CC2)C1 ZINC000941630625 701600149 /nfs/dbraw/zinc/60/01/49/701600149.db2.gz XZZYATMGJAUSRN-UHFFFAOYSA-N 1 2 330.432 1.011 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cnsn3)C2)nc1 ZINC000939556472 699691352 /nfs/dbraw/zinc/69/13/52/699691352.db2.gz SAMXZMIDRVMFRB-XHDPSFHLSA-N 1 2 327.413 1.165 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)c3ccc(F)cc3)CC2)C1 ZINC000941676869 701615598 /nfs/dbraw/zinc/61/55/98/701615598.db2.gz FXVPBLRYEZMFFQ-INIZCTEOSA-N 1 2 343.446 1.781 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(Cl)cccc3OC)CC2)C1 ZINC000941676920 701615665 /nfs/dbraw/zinc/61/56/65/701615665.db2.gz HZEBBWCCRZFIJI-UHFFFAOYSA-N 1 2 347.846 1.424 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3N(C)C)CC2)C1 ZINC000941682440 701626920 /nfs/dbraw/zinc/62/69/20/701626920.db2.gz SWXPGXDLGKKZRR-UHFFFAOYSA-N 1 2 340.471 1.218 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](OC)C3CCCCC3)CC2)C1 ZINC000941692463 701636828 /nfs/dbraw/zinc/63/68/28/701636828.db2.gz JMQOTPFNYPANNG-SFHVURJKSA-N 1 2 333.476 1.043 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](OC)C3CCCCC3)CC2)C1 ZINC000941693871 701637835 /nfs/dbraw/zinc/63/78/35/701637835.db2.gz ZKAHHLZXHHABBW-IBGZPJMESA-N 1 2 347.503 1.433 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC001031886624 700629191 /nfs/dbraw/zinc/62/91/91/700629191.db2.gz UESZAKSNGNSJBT-CQSZACIVSA-N 1 2 333.819 1.913 20 30 EDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2CCN(CC#N)CC2(C)C)[nH]n1 ZINC000940765423 700886332 /nfs/dbraw/zinc/88/63/32/700886332.db2.gz RGMIWWHUDXBWEE-JKSUJKDBSA-N 1 2 344.463 1.530 20 30 EDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2CCN(CC#N)CC2(C)C)[nH]n1 ZINC000940765423 700886334 /nfs/dbraw/zinc/88/63/34/700886334.db2.gz RGMIWWHUDXBWEE-JKSUJKDBSA-N 1 2 344.463 1.530 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)CC1(C)C ZINC000941039293 701061721 /nfs/dbraw/zinc/06/17/21/701061721.db2.gz NYKUVOPCAQQQCG-OWCLPIDISA-N 1 2 344.459 1.784 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)CC1(C)C ZINC000941039293 701061723 /nfs/dbraw/zinc/06/17/23/701061723.db2.gz NYKUVOPCAQQQCG-OWCLPIDISA-N 1 2 344.459 1.784 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C(F)(F)F ZINC001032651451 706602306 /nfs/dbraw/zinc/60/23/06/706602306.db2.gz YJFGVXKIVRAAPH-QWRGUYRKSA-N 1 2 326.322 1.361 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn(C)nc1C(F)(F)F ZINC001032651451 706602308 /nfs/dbraw/zinc/60/23/08/706602308.db2.gz YJFGVXKIVRAAPH-QWRGUYRKSA-N 1 2 326.322 1.361 20 30 EDEDLO CC[C@@H](F)C[NH+]1CC(N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C1 ZINC000941380744 701506608 /nfs/dbraw/zinc/50/66/08/701506608.db2.gz PTLHOQLHTMVWFC-CYBMUJFWSA-N 1 2 333.411 1.076 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(C(F)(F)F)CCC3)CC2)C1 ZINC000941461099 701544537 /nfs/dbraw/zinc/54/45/37/701544537.db2.gz YXNQPVBIZOMLHC-UHFFFAOYSA-N 1 2 329.366 1.181 20 30 EDEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCCN(C(=O)[C@@H](C)C#N)CC1)C2 ZINC000941449960 701546637 /nfs/dbraw/zinc/54/66/37/701546637.db2.gz XLHHUOFNXINPEF-JSGCOSHPSA-N 1 2 343.431 1.044 20 30 EDEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCCN(C(=O)[C@@H](C)C#N)CC1)CC2 ZINC000941449960 701546638 /nfs/dbraw/zinc/54/66/38/701546638.db2.gz XLHHUOFNXINPEF-JSGCOSHPSA-N 1 2 343.431 1.044 20 30 EDEDLO Cc1ccnn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032655905 706614422 /nfs/dbraw/zinc/61/44/22/706614422.db2.gz IFLVMYZBQWBERW-ROUUACIJSA-N 1 2 335.411 1.549 20 30 EDEDLO Cc1ccnn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032655905 706614425 /nfs/dbraw/zinc/61/44/25/706614425.db2.gz IFLVMYZBQWBERW-ROUUACIJSA-N 1 2 335.411 1.549 20 30 EDEDLO CCn1cnc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001032132082 701859664 /nfs/dbraw/zinc/85/96/64/701859664.db2.gz HUDRFPZUENPUCK-UHFFFAOYSA-N 1 2 341.390 1.776 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+]([C@H](C)c3cnc(C)cn3)C2)nc1 ZINC001032136842 701900984 /nfs/dbraw/zinc/90/09/84/701900984.db2.gz IUOZMSMYNOEITK-CQSZACIVSA-N 1 2 335.411 1.584 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000999193363 706626112 /nfs/dbraw/zinc/62/61/12/706626112.db2.gz JCUNBAAABRLSHY-YUELXQCFSA-N 1 2 336.461 1.600 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000941970528 702237110 /nfs/dbraw/zinc/23/71/10/702237110.db2.gz YXZRLKVNYNEVDV-QGZVFWFLSA-N 1 2 336.395 1.285 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C)cn3)C[C@H]2C)nc1 ZINC000944191693 702482693 /nfs/dbraw/zinc/48/26/93/702482693.db2.gz DPBYTXUBEUJECE-NVXWUHKLSA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C)cn3)C[C@H]2C)nc1 ZINC000944191693 702482694 /nfs/dbraw/zinc/48/26/94/702482694.db2.gz DPBYTXUBEUJECE-NVXWUHKLSA-N 1 2 349.438 1.802 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]Cc2nc(COC)no2)C(C)(C)C1 ZINC000996133120 702563708 /nfs/dbraw/zinc/56/37/08/702563708.db2.gz FEHSTRHYOPRGRV-LBPRGKRZSA-N 1 2 336.436 1.755 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000944235230 702595819 /nfs/dbraw/zinc/59/58/19/702595819.db2.gz GVCQHNNWOSIGKH-MRXNPFEDSA-N 1 2 336.395 1.355 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001032676777 706696887 /nfs/dbraw/zinc/69/68/87/706696887.db2.gz DFFXVEMMYDVJQU-XSLAGTTESA-N 1 2 327.428 1.848 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001032676777 706696889 /nfs/dbraw/zinc/69/68/89/706696889.db2.gz DFFXVEMMYDVJQU-XSLAGTTESA-N 1 2 327.428 1.848 20 30 EDEDLO COc1ccccc1OCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032312372 702961662 /nfs/dbraw/zinc/96/16/62/702961662.db2.gz IRBLGJGKRUELFJ-ILXRZTDVSA-N 1 2 329.400 1.519 20 30 EDEDLO COc1ccccc1OCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032312372 702961665 /nfs/dbraw/zinc/96/16/65/702961665.db2.gz IRBLGJGKRUELFJ-ILXRZTDVSA-N 1 2 329.400 1.519 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nonc3C)C[C@@H]2C)cc1 ZINC000942553276 703065160 /nfs/dbraw/zinc/06/51/60/703065160.db2.gz NXONJWFZETXHCB-GUYCJALGSA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nonc3C)C[C@@H]2C)cc1 ZINC000942553276 703065163 /nfs/dbraw/zinc/06/51/63/703065163.db2.gz NXONJWFZETXHCB-GUYCJALGSA-N 1 2 338.411 2.000 20 30 EDEDLO Cn1ccc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)n1 ZINC001032429424 703593780 /nfs/dbraw/zinc/59/37/80/703593780.db2.gz SZJIUUYQTSOLOC-PMACEKPBSA-N 1 2 348.450 1.690 20 30 EDEDLO Cn1ccc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#Cc2ccccc2)n1 ZINC001032429424 703593781 /nfs/dbraw/zinc/59/37/81/703593781.db2.gz SZJIUUYQTSOLOC-PMACEKPBSA-N 1 2 348.450 1.690 20 30 EDEDLO Cc1cc(C)c(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)c(C)[nH+]1 ZINC000997558319 703831535 /nfs/dbraw/zinc/83/15/35/703831535.db2.gz XNQKVJJYKKDLBC-UHFFFAOYSA-N 1 2 337.383 1.461 20 30 EDEDLO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC000997637705 703940152 /nfs/dbraw/zinc/94/01/52/703940152.db2.gz DAVYXACFXYSUBA-IJEWVQPXSA-N 1 2 343.899 1.675 20 30 EDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(C#N)c(OC)c1 ZINC000922528487 703949762 /nfs/dbraw/zinc/94/97/62/703949762.db2.gz KZEAQQJLOMNORX-MRXNPFEDSA-N 1 2 346.431 1.477 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccn(C)n2)C1 ZINC001033073614 704114174 /nfs/dbraw/zinc/11/41/74/704114174.db2.gz BZMUTDQIERRWHE-CYBMUJFWSA-N 1 2 341.253 1.404 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccn(C)n2)C1 ZINC001033073614 704114177 /nfs/dbraw/zinc/11/41/77/704114177.db2.gz BZMUTDQIERRWHE-CYBMUJFWSA-N 1 2 341.253 1.404 20 30 EDEDLO N#Cc1cccnc1N1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061477787 704258452 /nfs/dbraw/zinc/25/84/52/704258452.db2.gz NDUCUHMIHVCWAH-RRFJBIMHSA-N 1 2 336.399 1.565 20 30 EDEDLO N#Cc1cccnc1N1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061477787 704258453 /nfs/dbraw/zinc/25/84/53/704258453.db2.gz NDUCUHMIHVCWAH-RRFJBIMHSA-N 1 2 336.399 1.565 20 30 EDEDLO N#CCN[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C(F)(F)F ZINC000998267187 705640759 /nfs/dbraw/zinc/64/07/59/705640759.db2.gz LWKYVBJXMWUPFI-NEPJUHHUSA-N 1 2 329.326 1.235 20 30 EDEDLO N#CCN[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC000998267187 705640762 /nfs/dbraw/zinc/64/07/62/705640762.db2.gz LWKYVBJXMWUPFI-NEPJUHHUSA-N 1 2 329.326 1.235 20 30 EDEDLO Cc1nc([C@@H](C)[NH2+]C2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)no1 ZINC000998605176 706042749 /nfs/dbraw/zinc/04/27/49/706042749.db2.gz UURBPXSWSPUKAF-UHEGKEBESA-N 1 2 328.376 1.532 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001033277769 707344188 /nfs/dbraw/zinc/34/41/88/707344188.db2.gz CEVDBICFRGZIJG-KBPBESRZSA-N 1 2 337.855 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nncn3CC2)C1 ZINC001033277769 707344190 /nfs/dbraw/zinc/34/41/90/707344190.db2.gz CEVDBICFRGZIJG-KBPBESRZSA-N 1 2 337.855 1.516 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C2CCOCC2)n1 ZINC001032720396 707413203 /nfs/dbraw/zinc/41/32/03/707413203.db2.gz SQDGKQDBIGBZGJ-GJZGRUSLSA-N 1 2 329.400 1.491 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C2CCOCC2)n1 ZINC001032720396 707413206 /nfs/dbraw/zinc/41/32/06/707413206.db2.gz SQDGKQDBIGBZGJ-GJZGRUSLSA-N 1 2 329.400 1.491 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(N(C)C)no2)C1 ZINC000999875135 707520786 /nfs/dbraw/zinc/52/07/86/707520786.db2.gz CITIKACIBKNVCB-CYBMUJFWSA-N 1 2 335.452 1.819 20 30 EDEDLO CC(C)(C(=O)N1CC[C@@H](CNc2ccc(C#N)cn2)C1)c1c[nH+]c[nH]1 ZINC001060894843 707644575 /nfs/dbraw/zinc/64/45/75/707644575.db2.gz RHIWFOWXBACOEE-AWEZNQCLSA-N 1 2 338.415 1.915 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CNc2cc(C)ncc2C#N)C1 ZINC001060901924 707705378 /nfs/dbraw/zinc/70/53/78/707705378.db2.gz HYVXXNGQLMJZKS-CQSZACIVSA-N 1 2 338.415 1.218 20 30 EDEDLO N#Cc1cnc(NC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c(F)c1 ZINC001060914660 707808159 /nfs/dbraw/zinc/80/81/59/707808159.db2.gz YOEYZJGFWFAZOQ-NSHDSACASA-N 1 2 328.351 1.319 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccns3)C2)c1 ZINC001033404252 707812876 /nfs/dbraw/zinc/81/28/76/707812876.db2.gz BLCFXVPZFAAHDC-HNNXBMFYSA-N 1 2 326.425 1.866 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccns3)C2)c1 ZINC001033404252 707812881 /nfs/dbraw/zinc/81/28/81/707812881.db2.gz BLCFXVPZFAAHDC-HNNXBMFYSA-N 1 2 326.425 1.866 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001004990566 707852008 /nfs/dbraw/zinc/85/20/08/707852008.db2.gz LQGUIEXSYBVXGS-GJZGRUSLSA-N 1 2 332.448 1.839 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](CC=C(Cl)Cl)C2)nn1 ZINC001033484211 707951380 /nfs/dbraw/zinc/95/13/80/707951380.db2.gz OONNGOFNAAFKOP-LLVKDONJSA-N 1 2 344.246 1.929 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](CC=C(Cl)Cl)C2)nn1 ZINC001033484211 707951383 /nfs/dbraw/zinc/95/13/83/707951383.db2.gz OONNGOFNAAFKOP-LLVKDONJSA-N 1 2 344.246 1.929 20 30 EDEDLO C#CCCCC(=O)N1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001060990189 708106630 /nfs/dbraw/zinc/10/66/30/708106630.db2.gz YFECYUNLXUDJMN-UHFFFAOYSA-N 1 2 342.443 1.597 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001033567709 708213860 /nfs/dbraw/zinc/21/38/60/708213860.db2.gz LWSQAINYOHPAPT-CHWSQXEVSA-N 1 2 339.827 1.138 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001033567709 708213861 /nfs/dbraw/zinc/21/38/61/708213861.db2.gz LWSQAINYOHPAPT-CHWSQXEVSA-N 1 2 339.827 1.138 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001033576534 708251584 /nfs/dbraw/zinc/25/15/84/708251584.db2.gz WRQLNBLOGVORBV-STQMWFEESA-N 1 2 328.844 1.205 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001033576534 708251587 /nfs/dbraw/zinc/25/15/87/708251587.db2.gz WRQLNBLOGVORBV-STQMWFEESA-N 1 2 328.844 1.205 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2ncnn2CC)CC1 ZINC001001844421 708349129 /nfs/dbraw/zinc/34/91/29/708349129.db2.gz NJSDPQNZVQOHDT-CVEARBPZSA-N 1 2 347.463 1.217 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]2C)C1 ZINC001005254205 708397407 /nfs/dbraw/zinc/39/74/07/708397407.db2.gz IWGGNWUHZFAKQH-BBRMVZONSA-N 1 2 344.459 1.970 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]2C)C1 ZINC001005268088 708480991 /nfs/dbraw/zinc/48/09/91/708480991.db2.gz OENHEWHQFSWPHN-CVEARBPZSA-N 1 2 344.459 1.983 20 30 EDEDLO C[C@@H](c1nncn1C)[NH+]1CCC(N(C)C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001005277078 708506298 /nfs/dbraw/zinc/50/62/98/708506298.db2.gz YMXOBOPGMJCKSN-LBPRGKRZSA-N 1 2 341.419 1.312 20 30 EDEDLO C=CCC[NH+]1CCC(CNC(=O)c2cn[nH]c2-c2cnn(C)c2)CC1 ZINC001002024707 708545486 /nfs/dbraw/zinc/54/54/86/708545486.db2.gz KOTUUYCDMGRKKD-UHFFFAOYSA-N 1 2 342.447 1.828 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](N(CC)C(=O)c3cncs3)C2)C1=O ZINC001033762306 708646091 /nfs/dbraw/zinc/64/60/91/708646091.db2.gz FUCNBQKMOHOJOH-ZIAGYGMSSA-N 1 2 348.472 1.466 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N(CC)C(=O)c3cncs3)C2)C1=O ZINC001033762306 708646094 /nfs/dbraw/zinc/64/60/94/708646094.db2.gz FUCNBQKMOHOJOH-ZIAGYGMSSA-N 1 2 348.472 1.466 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC001002376179 708878781 /nfs/dbraw/zinc/87/87/81/708878781.db2.gz OGAIAMXRHKRMFD-UHFFFAOYSA-N 1 2 327.363 1.815 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H](Nc2cncc(C#N)n2)C1 ZINC001061098381 709054753 /nfs/dbraw/zinc/05/47/53/709054753.db2.gz MNPHWBAJWFEOKM-QWHCGFSZSA-N 1 2 339.403 1.462 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)C[C@@H]2COC(=O)C2)CC1 ZINC001002606667 709149236 /nfs/dbraw/zinc/14/92/36/709149236.db2.gz GRJCWRUTGKACKV-NSHDSACASA-N 1 2 345.237 1.429 20 30 EDEDLO CCn1nc(C)c(C[NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001002648418 709207777 /nfs/dbraw/zinc/20/77/77/709207777.db2.gz KIRRMNOKFHBJOU-UHFFFAOYSA-N 1 2 341.419 1.201 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001034055409 709286282 /nfs/dbraw/zinc/28/62/82/709286282.db2.gz UZZWSMPGVKQENM-CYBMUJFWSA-N 1 2 336.823 1.469 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001034055409 709286283 /nfs/dbraw/zinc/28/62/83/709286283.db2.gz UZZWSMPGVKQENM-CYBMUJFWSA-N 1 2 336.823 1.469 20 30 EDEDLO CC#CCCCC(=O)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001061146206 709384333 /nfs/dbraw/zinc/38/43/33/709384333.db2.gz CXERHUUXAPAUTB-UHFFFAOYSA-N 1 2 342.443 1.597 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn(C)nc2COC)C1 ZINC001034281940 709700127 /nfs/dbraw/zinc/70/01/27/709700127.db2.gz KZSLVLZZJIQQDH-CYBMUJFWSA-N 1 2 340.855 1.903 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn(C)nc2COC)C1 ZINC001034281940 709700130 /nfs/dbraw/zinc/70/01/30/709700130.db2.gz KZSLVLZZJIQQDH-CYBMUJFWSA-N 1 2 340.855 1.903 20 30 EDEDLO C#CCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001034428040 709964746 /nfs/dbraw/zinc/96/47/46/709964746.db2.gz LOMXJRMJCNRWAD-ZDUSSCGKSA-N 1 2 338.429 1.291 20 30 EDEDLO C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001034428040 709964748 /nfs/dbraw/zinc/96/47/48/709964748.db2.gz LOMXJRMJCNRWAD-ZDUSSCGKSA-N 1 2 338.429 1.291 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cn[nH]c(=O)c2)CC1 ZINC001003095919 709977374 /nfs/dbraw/zinc/97/73/74/709977374.db2.gz CZGHZEFVLJEGNM-UHFFFAOYSA-N 1 2 341.209 1.285 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H](C)CO2)CC1 ZINC001003331878 710256192 /nfs/dbraw/zinc/25/61/92/710256192.db2.gz IRCRSOUGNIQZHT-MFKMUULPSA-N 1 2 331.254 1.901 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001034946470 711401793 /nfs/dbraw/zinc/40/17/93/711401793.db2.gz BZCKUJFNUGLTJI-LLVKDONJSA-N 1 2 326.832 1.069 20 30 EDEDLO Cn1c(Cl)ncc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004487017 711866411 /nfs/dbraw/zinc/86/64/11/711866411.db2.gz YYHLIRDAPHPJFR-ZDUSSCGKSA-N 1 2 335.839 1.914 20 30 EDEDLO Cn1c(Cl)ncc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004487017 711866413 /nfs/dbraw/zinc/86/64/13/711866413.db2.gz YYHLIRDAPHPJFR-ZDUSSCGKSA-N 1 2 335.839 1.914 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CCCC(=O)N2)CC1 ZINC001004483252 711874181 /nfs/dbraw/zinc/87/41/81/711874181.db2.gz GTYUEKFXPVKBGX-CVEARBPZSA-N 1 2 332.448 1.272 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CCCC(=O)N2)CC1 ZINC001004483252 711874183 /nfs/dbraw/zinc/87/41/83/711874183.db2.gz GTYUEKFXPVKBGX-CVEARBPZSA-N 1 2 332.448 1.272 20 30 EDEDLO C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001061549420 712357920 /nfs/dbraw/zinc/35/79/20/712357920.db2.gz WDJSUDIUGXSBTH-AWEZNQCLSA-N 1 2 334.420 1.042 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000103139714 219260817 /nfs/dbraw/zinc/26/08/17/219260817.db2.gz INSHDWPSQNBINU-AWEZNQCLSA-N 1 2 332.423 1.730 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)C[C@H]21 ZINC000349311709 283033036 /nfs/dbraw/zinc/03/30/36/283033036.db2.gz JYQQQJZOLZZAOX-KGLIPLIRSA-N 1 2 331.420 1.661 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)C[C@H]21 ZINC000349311709 283033042 /nfs/dbraw/zinc/03/30/42/283033042.db2.gz JYQQQJZOLZZAOX-KGLIPLIRSA-N 1 2 331.420 1.661 20 30 EDEDLO N#Cc1ccsc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000052030282 138136650 /nfs/dbraw/zinc/13/66/50/138136650.db2.gz NOZJLBIRIRWWAY-UHFFFAOYSA-N 1 2 328.397 1.781 20 30 EDEDLO Cc1noc(CN2CC[NH+](CCOc3ccccc3C#N)CC2)n1 ZINC000060468554 138162523 /nfs/dbraw/zinc/16/25/23/138162523.db2.gz HKLGWPBSMVFODY-UHFFFAOYSA-N 1 2 327.388 1.446 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1 ZINC000090201846 138277843 /nfs/dbraw/zinc/27/78/43/138277843.db2.gz HSCNPFGLBLLBCW-HUUCEWRRSA-N 1 2 335.429 1.090 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1 ZINC000090201846 138277844 /nfs/dbraw/zinc/27/78/44/138277844.db2.gz HSCNPFGLBLLBCW-HUUCEWRRSA-N 1 2 335.429 1.090 20 30 EDEDLO N#CC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCOCC1 ZINC000109139265 237108725 /nfs/dbraw/zinc/10/87/25/237108725.db2.gz LVKLEVKCNADZFS-KRWDZBQOSA-N 1 2 343.427 1.496 20 30 EDEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245722361 249304084 /nfs/dbraw/zinc/30/40/84/249304084.db2.gz WJRSYWQWIVOOMW-LSDHHAIUSA-N 1 2 343.399 1.933 20 30 EDEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245722361 249304089 /nfs/dbraw/zinc/30/40/89/249304089.db2.gz WJRSYWQWIVOOMW-LSDHHAIUSA-N 1 2 343.399 1.933 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(CC(=O)Nc3ccccc3)CC2)C1=O ZINC000282024106 249514651 /nfs/dbraw/zinc/51/46/51/249514651.db2.gz PLPSOIHMQLXQDA-QGZVFWFLSA-N 1 2 342.443 1.030 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000352019463 250069189 /nfs/dbraw/zinc/06/91/89/250069189.db2.gz FGNFOIQZXWYBLF-RDBSUJKOSA-N 1 2 349.456 1.304 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000352019463 250069191 /nfs/dbraw/zinc/06/91/91/250069191.db2.gz FGNFOIQZXWYBLF-RDBSUJKOSA-N 1 2 349.456 1.304 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000352236737 250075845 /nfs/dbraw/zinc/07/58/45/250075845.db2.gz FOAMQRZSMDXELV-HOTGVXAUSA-N 1 2 337.464 1.171 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000352239589 250076000 /nfs/dbraw/zinc/07/60/00/250076000.db2.gz XEHDGIPMVBKVBU-HUUCEWRRSA-N 1 2 325.453 1.027 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000352239589 250076004 /nfs/dbraw/zinc/07/60/04/250076004.db2.gz XEHDGIPMVBKVBU-HUUCEWRRSA-N 1 2 325.453 1.027 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000359369594 250153039 /nfs/dbraw/zinc/15/30/39/250153039.db2.gz HSXYEVLKEQIVAH-CYBMUJFWSA-N 1 2 332.448 1.646 20 30 EDEDLO N#CCC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000373465184 250239099 /nfs/dbraw/zinc/23/90/99/250239099.db2.gz JSECXSDMPMTKCJ-QGZVFWFLSA-N 1 2 340.427 1.235 20 30 EDEDLO Cn1c[nH+]c2c1CCN(C(=O)NCc1ccc(OCC#N)cc1)C2 ZINC000372654853 250223707 /nfs/dbraw/zinc/22/37/07/250223707.db2.gz KJBCMBYFUVUDME-UHFFFAOYSA-N 1 2 325.372 1.590 20 30 EDEDLO CN(CC(=O)NC1(C#N)CCCCC1)Cc1cn2c([nH+]1)CCCC2 ZINC000372988483 250228598 /nfs/dbraw/zinc/22/85/98/250228598.db2.gz BIVKXVXEWMSARY-UHFFFAOYSA-N 1 2 329.448 1.994 20 30 EDEDLO C#CC[C@@H](C)NC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000376227362 250286215 /nfs/dbraw/zinc/28/62/15/250286215.db2.gz QMSBKOBYBILPCT-MLGOLLRUSA-N 1 2 339.399 1.237 20 30 EDEDLO COC[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000251919403 139203362 /nfs/dbraw/zinc/20/33/62/139203362.db2.gz SHVVUIZDFXBDIS-JQFCIGGWSA-N 1 2 329.400 1.399 20 30 EDEDLO COC[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000251919403 139203363 /nfs/dbraw/zinc/20/33/63/139203363.db2.gz SHVVUIZDFXBDIS-JQFCIGGWSA-N 1 2 329.400 1.399 20 30 EDEDLO N#Cc1c(C(F)F)cccc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000569747787 306518751 /nfs/dbraw/zinc/51/87/51/306518751.db2.gz ZYVRCEILXWTPEL-UHFFFAOYSA-N 1 2 334.370 1.896 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000330567287 285038771 /nfs/dbraw/zinc/03/87/71/285038771.db2.gz LKWVOCKDUQMEMM-VQHPVUNQSA-N 1 2 337.464 1.246 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000330567287 285038773 /nfs/dbraw/zinc/03/87/73/285038773.db2.gz LKWVOCKDUQMEMM-VQHPVUNQSA-N 1 2 337.464 1.246 20 30 EDEDLO CCN1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O ZINC000190170163 285225901 /nfs/dbraw/zinc/22/59/01/285225901.db2.gz UKTILUSCDYTCAJ-QGZVFWFLSA-N 1 2 340.427 1.608 20 30 EDEDLO CCN1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O ZINC000190170163 285225903 /nfs/dbraw/zinc/22/59/03/285225903.db2.gz UKTILUSCDYTCAJ-QGZVFWFLSA-N 1 2 340.427 1.608 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cc3nc(C)cs3)n2C2CC2)CC1 ZINC000491387979 255124674 /nfs/dbraw/zinc/12/46/74/255124674.db2.gz ZQYRLGDZVUTVDF-UHFFFAOYSA-N 1 2 342.472 1.724 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(NC(=O)OC)cc2)CC1 ZINC000490759895 255105098 /nfs/dbraw/zinc/10/50/98/255105098.db2.gz HMLJANKJIFYLET-UHFFFAOYSA-N 1 2 331.372 1.021 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cnc3n[nH]c(C)c3c2)n1 ZINC000491802500 255147906 /nfs/dbraw/zinc/14/79/06/255147906.db2.gz GPBNFIDYCLHXCJ-UHFFFAOYSA-N 1 2 338.415 1.745 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cnc3n[nH]c(C)c3c2)n1 ZINC000491802500 255147907 /nfs/dbraw/zinc/14/79/07/255147907.db2.gz GPBNFIDYCLHXCJ-UHFFFAOYSA-N 1 2 338.415 1.745 20 30 EDEDLO Cc1ncccc1/C=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000493446849 255208934 /nfs/dbraw/zinc/20/89/34/255208934.db2.gz DDBMULHWANQMHI-WAYWQWQTSA-N 1 2 328.416 1.478 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000052658603 132185104 /nfs/dbraw/zinc/18/51/04/132185104.db2.gz WJMBACFSCUQTHI-AWEZNQCLSA-N 1 2 345.403 1.477 20 30 EDEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000331382976 141014699 /nfs/dbraw/zinc/01/46/99/141014699.db2.gz BQUAOLRESXPPAU-RDJZCZTQSA-N 1 2 331.391 1.909 20 30 EDEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000331382976 141014700 /nfs/dbraw/zinc/01/47/00/141014700.db2.gz BQUAOLRESXPPAU-RDJZCZTQSA-N 1 2 331.391 1.909 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000331698448 141069174 /nfs/dbraw/zinc/06/91/74/141069174.db2.gz VITNPABJXXXCTM-WBVHZDCISA-N 1 2 340.427 1.654 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000331698448 141069175 /nfs/dbraw/zinc/06/91/75/141069175.db2.gz VITNPABJXXXCTM-WBVHZDCISA-N 1 2 340.427 1.654 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cccc(C#N)c3)C[C@H]21 ZINC000332014407 141110606 /nfs/dbraw/zinc/11/06/06/141110606.db2.gz KRGZYCHHIFDJIF-IAGOWNOFSA-N 1 2 328.416 1.215 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cccc(C#N)c3)C[C@H]21 ZINC000332014407 141110607 /nfs/dbraw/zinc/11/06/07/141110607.db2.gz KRGZYCHHIFDJIF-IAGOWNOFSA-N 1 2 328.416 1.215 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C#N ZINC000339667760 142113393 /nfs/dbraw/zinc/11/33/93/142113393.db2.gz IHRNSYZZMUEPRL-NWDGAFQWSA-N 1 2 332.429 1.737 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N ZINC000339667760 142113394 /nfs/dbraw/zinc/11/33/94/142113394.db2.gz IHRNSYZZMUEPRL-NWDGAFQWSA-N 1 2 332.429 1.737 20 30 EDEDLO N#Cc1ccc(F)c(CS(=O)(=O)NCCNc2cccc[nH+]2)c1 ZINC000347146613 143287564 /nfs/dbraw/zinc/28/75/64/143287564.db2.gz CNLOCJOGQDNJDL-UHFFFAOYSA-N 1 2 334.376 1.624 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CCO1 ZINC000347588630 143338150 /nfs/dbraw/zinc/33/81/50/143338150.db2.gz ANDSGFTZONHLRD-GDBMZVCRSA-N 1 2 331.416 1.553 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CCO1 ZINC000347588630 143338151 /nfs/dbraw/zinc/33/81/51/143338151.db2.gz ANDSGFTZONHLRD-GDBMZVCRSA-N 1 2 331.416 1.553 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1CNC(=O)c1ccc(C#N)o1 ZINC000348238462 143416870 /nfs/dbraw/zinc/41/68/70/143416870.db2.gz FKAZBXPTPPMIMH-VXGBXAGGSA-N 1 2 331.351 1.227 20 30 EDEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCCNC1=O ZINC000369829891 155195085 /nfs/dbraw/zinc/19/50/85/155195085.db2.gz MZQPAHUWNQEJQJ-CQSZACIVSA-N 1 2 325.372 1.709 20 30 EDEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCCNC1=O ZINC000369829891 155195088 /nfs/dbraw/zinc/19/50/88/155195088.db2.gz MZQPAHUWNQEJQJ-CQSZACIVSA-N 1 2 325.372 1.709 20 30 EDEDLO N#Cc1ccc(Cl)c(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000352838538 149185721 /nfs/dbraw/zinc/18/57/21/149185721.db2.gz KXRAWAOPICJHON-UHFFFAOYSA-N 1 2 329.791 1.893 20 30 EDEDLO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355122755 150125774 /nfs/dbraw/zinc/12/57/74/150125774.db2.gz ILIAIORVUWMSPC-RDJZCZTQSA-N 1 2 341.459 1.770 20 30 EDEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000355717833 150373007 /nfs/dbraw/zinc/37/30/07/150373007.db2.gz USWBFWWBPZZFTQ-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000355717833 150373009 /nfs/dbraw/zinc/37/30/09/150373009.db2.gz USWBFWWBPZZFTQ-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357753533 151139157 /nfs/dbraw/zinc/13/91/57/151139157.db2.gz LRDJVYFFBGCICF-CQSZACIVSA-N 1 2 338.415 1.426 20 30 EDEDLO N#Cc1ccc(OCC[NH+]2CCN([C@H]3CCCCNC3=O)CC2)cc1 ZINC000360849958 152228867 /nfs/dbraw/zinc/22/88/67/152228867.db2.gz KMUBKJTYJKTYSW-SFHVURJKSA-N 1 2 342.443 1.223 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364282797 153196186 /nfs/dbraw/zinc/19/61/86/153196186.db2.gz OKPSTXPUYJZHCK-AWEZNQCLSA-N 1 2 340.383 1.981 20 30 EDEDLO N#Cc1cc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1F ZINC000367219800 154046989 /nfs/dbraw/zinc/04/69/89/154046989.db2.gz YSDQDEPXDYNUEA-KRWDZBQOSA-N 1 2 349.431 1.635 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CC1(C#N)CC1 ZINC000165246638 226117858 /nfs/dbraw/zinc/11/78/58/226117858.db2.gz LSEUKNGJVPVOGC-OAHLLOKOSA-N 1 2 333.457 1.826 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CC1(C#N)CC1 ZINC000165246638 226117861 /nfs/dbraw/zinc/11/78/61/226117861.db2.gz LSEUKNGJVPVOGC-OAHLLOKOSA-N 1 2 333.457 1.826 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)n1 ZINC000122803461 222160719 /nfs/dbraw/zinc/16/07/19/222160719.db2.gz ZPRWQFQWGIRGFC-UHFFFAOYSA-N 1 2 327.432 1.524 20 30 EDEDLO CCC[NH+]1CCC(CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000133284822 287537214 /nfs/dbraw/zinc/53/72/14/287537214.db2.gz YWWBXUZTZHTZGC-UHFFFAOYSA-N 1 2 348.472 1.820 20 30 EDEDLO COc1cc(C#N)ccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000121123594 270008741 /nfs/dbraw/zinc/00/87/41/270008741.db2.gz MIFFPSDGRDJFPH-UHFFFAOYSA-N 1 2 328.416 1.615 20 30 EDEDLO N#Cc1ncn(CCNc2[nH+]cnc3c2cnn3-c2ccccc2)n1 ZINC000505756760 270014966 /nfs/dbraw/zinc/01/49/66/270014966.db2.gz NVDPTAFCLYAGDR-UHFFFAOYSA-N 1 2 331.343 1.391 20 30 EDEDLO CC(C)[NH+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 ZINC000294428352 265847685 /nfs/dbraw/zinc/84/76/85/265847685.db2.gz OURSIRUJVDMMIQ-UHFFFAOYSA-N 1 2 325.409 1.553 20 30 EDEDLO CCCNC(=O)C[N@H+](CCC)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000298106207 266057834 /nfs/dbraw/zinc/05/78/34/266057834.db2.gz LSLXIAFZNMMAOB-CQSZACIVSA-N 1 2 348.472 1.963 20 30 EDEDLO CCCNC(=O)C[N@@H+](CCC)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000298106207 266057837 /nfs/dbraw/zinc/05/78/37/266057837.db2.gz LSLXIAFZNMMAOB-CQSZACIVSA-N 1 2 348.472 1.963 20 30 EDEDLO CC[C@@H](C)[NH+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000295927527 266360293 /nfs/dbraw/zinc/36/02/93/266360293.db2.gz FUAPQPMVUMEOTK-OAHLLOKOSA-N 1 2 335.473 1.748 20 30 EDEDLO CCn1nc(C)c(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000296727397 266472459 /nfs/dbraw/zinc/47/24/59/266472459.db2.gz JLFVEVRDHQSMDI-MRXNPFEDSA-N 1 2 338.415 1.369 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000338921602 267157489 /nfs/dbraw/zinc/15/74/89/267157489.db2.gz QSSNKHDAFIQLSO-SNVBAGLBSA-N 1 2 342.321 1.423 20 30 EDEDLO C[C@H](NC(=O)C(=O)NCCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000283352400 267170390 /nfs/dbraw/zinc/17/03/90/267170390.db2.gz UASSRYYLDNYNLN-ZDUSSCGKSA-N 1 2 325.372 1.138 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428449473 267187089 /nfs/dbraw/zinc/18/70/89/267187089.db2.gz WEEHHSDUJYTVDT-CQSZACIVSA-N 1 2 332.423 1.730 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000280539732 267229486 /nfs/dbraw/zinc/22/94/86/267229486.db2.gz PQDROTREDMGURY-KSSFIOAISA-N 1 2 329.400 1.054 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000280539732 267229489 /nfs/dbraw/zinc/22/94/89/267229489.db2.gz PQDROTREDMGURY-KSSFIOAISA-N 1 2 329.400 1.054 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(F)c1C#N ZINC000529751267 267330565 /nfs/dbraw/zinc/33/05/65/267330565.db2.gz HDVDCXJBRFKUCN-SFHVURJKSA-N 1 2 347.390 1.043 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(F)c1C#N ZINC000529751267 267330566 /nfs/dbraw/zinc/33/05/66/267330566.db2.gz HDVDCXJBRFKUCN-SFHVURJKSA-N 1 2 347.390 1.043 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(F)c(C#N)c1 ZINC000529755166 267331484 /nfs/dbraw/zinc/33/14/84/267331484.db2.gz ZAZCYYBCTVUWOA-GOSISDBHSA-N 1 2 347.390 1.043 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(F)c(C#N)c1 ZINC000529755166 267331485 /nfs/dbraw/zinc/33/14/85/267331485.db2.gz ZAZCYYBCTVUWOA-GOSISDBHSA-N 1 2 347.390 1.043 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000412358316 267364032 /nfs/dbraw/zinc/36/40/32/267364032.db2.gz PAWMTUDHKKKGKP-CYBMUJFWSA-N 1 2 349.818 1.826 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000412358316 267364034 /nfs/dbraw/zinc/36/40/34/267364034.db2.gz PAWMTUDHKKKGKP-CYBMUJFWSA-N 1 2 349.818 1.826 20 30 EDEDLO Cc1nn(C)c(N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)c1C#N ZINC000517154914 268090283 /nfs/dbraw/zinc/09/02/83/268090283.db2.gz SYINNHTUPVRQCN-CYBMUJFWSA-N 1 2 341.419 1.097 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)NCCn3cc[nH+]c3)C2)nc1 ZINC000291588358 268184302 /nfs/dbraw/zinc/18/43/02/268184302.db2.gz FZJTWEHORGISGT-AWEZNQCLSA-N 1 2 326.360 1.013 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nnnn3-c3ccccc3)C2)nc1 ZINC000292080266 268186236 /nfs/dbraw/zinc/18/62/36/268186236.db2.gz DNQDUIAWBZPENM-INIZCTEOSA-N 1 2 347.382 1.582 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nnnn3-c3ccccc3)C2)nc1 ZINC000292080266 268186238 /nfs/dbraw/zinc/18/62/38/268186238.db2.gz DNQDUIAWBZPENM-INIZCTEOSA-N 1 2 347.382 1.582 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)ccc1Cl ZINC000516087300 268186948 /nfs/dbraw/zinc/18/69/48/268186948.db2.gz HYSHDZDNPNBQKI-UHFFFAOYSA-N 1 2 345.790 1.943 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc4n[nH]nc43)CC2)cc1 ZINC000525866478 268221299 /nfs/dbraw/zinc/22/12/99/268221299.db2.gz ZFKUEUGXTQCWIR-UHFFFAOYSA-N 1 2 346.394 1.788 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c(C#N)c1C ZINC000278968359 268757454 /nfs/dbraw/zinc/75/74/54/268757454.db2.gz XNCBRELVYQQRLU-MRXNPFEDSA-N 1 2 332.429 1.387 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c(C#N)c1C ZINC000278968359 268757456 /nfs/dbraw/zinc/75/74/56/268757456.db2.gz XNCBRELVYQQRLU-MRXNPFEDSA-N 1 2 332.429 1.387 20 30 EDEDLO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)C[C@H]1[NH+]1CCOCC1 ZINC000366396927 276664269 /nfs/dbraw/zinc/66/42/69/276664269.db2.gz AWVOWTDOLONWKU-SWLSCSKDSA-N 1 2 331.376 1.408 20 30 EDEDLO CC(=O)N1CC[N@H+](CC(=O)NC(=O)NC2CC2)CC12CCCCC2 ZINC000329070719 278040431 /nfs/dbraw/zinc/04/04/31/278040431.db2.gz YPOQGLFFEMDXDZ-UHFFFAOYSA-N 1 2 336.436 1.886 20 30 EDEDLO CC(=O)N1CC[N@@H+](CC(=O)NC(=O)NC2CC2)CC12CCCCC2 ZINC000329070719 278040432 /nfs/dbraw/zinc/04/04/32/278040432.db2.gz YPOQGLFFEMDXDZ-UHFFFAOYSA-N 1 2 336.436 1.886 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@H](O)C12CCCC2 ZINC000330355536 281284013 /nfs/dbraw/zinc/28/40/13/281284013.db2.gz QRZAUBAHAPPRLG-AWEZNQCLSA-N 1 2 325.453 1.391 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@H](O)C12CCCC2 ZINC000330355536 281284015 /nfs/dbraw/zinc/28/40/15/281284015.db2.gz QRZAUBAHAPPRLG-AWEZNQCLSA-N 1 2 325.453 1.391 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c(C#N)c1C ZINC000154387920 294038564 /nfs/dbraw/zinc/03/85/64/294038564.db2.gz MWYCTFWUZPEUHA-NILFDRSVSA-N 1 2 332.404 1.110 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(C#N)c1C ZINC000154387920 294038569 /nfs/dbraw/zinc/03/85/69/294038569.db2.gz MWYCTFWUZPEUHA-NILFDRSVSA-N 1 2 332.404 1.110 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000360298234 294943629 /nfs/dbraw/zinc/94/36/29/294943629.db2.gz KPAMCIAYNBZGNF-MRXNPFEDSA-N 1 2 326.400 1.075 20 30 EDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1COCCN1CC(F)(F)F ZINC000329379696 295385670 /nfs/dbraw/zinc/38/56/70/295385670.db2.gz NCWPXAJQLPGQPZ-MNOVXSKESA-N 1 2 332.326 1.418 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CC(F)C2)CCC(=O)N1C1CC1 ZINC000329364017 303031467 /nfs/dbraw/zinc/03/14/67/303031467.db2.gz ZWOXFGUNBZNJHT-IUODEOHRSA-N 1 2 335.383 1.182 20 30 EDEDLO N#Cc1ccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)cc1 ZINC000370570969 303195305 /nfs/dbraw/zinc/19/53/05/303195305.db2.gz XYIXYLSYEOLVEH-SFHVURJKSA-N 1 2 344.415 1.561 20 30 EDEDLO C=CCOc1ccc(CC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000448980343 447357934 /nfs/dbraw/zinc/35/79/34/447357934.db2.gz ADQVILKETHDXSQ-UHFFFAOYSA-N 1 2 340.427 1.861 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CNc3cnn(CC(=O)NC4CC4)c3)n2c1 ZINC000543712237 306067507 /nfs/dbraw/zinc/06/75/07/306067507.db2.gz FZYYQLJCYRXYPX-UHFFFAOYSA-N 1 2 335.371 1.293 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000550644619 306153462 /nfs/dbraw/zinc/15/34/62/306153462.db2.gz DNIJLGQIGWFLSI-UHFFFAOYSA-N 1 2 340.387 1.043 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000555684698 306205051 /nfs/dbraw/zinc/20/50/51/306205051.db2.gz HLCNJFUKODVPBO-SNVBAGLBSA-N 1 2 342.321 1.423 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000555684698 306205052 /nfs/dbraw/zinc/20/50/52/306205052.db2.gz HLCNJFUKODVPBO-SNVBAGLBSA-N 1 2 342.321 1.423 20 30 EDEDLO Cc1cccc2c1O[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C2 ZINC000449818048 447395781 /nfs/dbraw/zinc/39/57/81/447395781.db2.gz KBRAIWDHGDMGPL-KRWDZBQOSA-N 1 2 343.427 1.373 20 30 EDEDLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000378439032 447427145 /nfs/dbraw/zinc/42/71/45/447427145.db2.gz ZDQFEXUEKOZHLJ-CQSZACIVSA-N 1 2 346.374 1.810 20 30 EDEDLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000378439032 447427146 /nfs/dbraw/zinc/42/71/46/447427146.db2.gz ZDQFEXUEKOZHLJ-CQSZACIVSA-N 1 2 346.374 1.810 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CCO1 ZINC000378447272 447429326 /nfs/dbraw/zinc/42/93/26/447429326.db2.gz AZZNOMOGSBFMTR-FQEVSTJZSA-N 1 2 341.455 1.912 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CCO1 ZINC000378447272 447429330 /nfs/dbraw/zinc/42/93/30/447429330.db2.gz AZZNOMOGSBFMTR-FQEVSTJZSA-N 1 2 341.455 1.912 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)N(CC)CC)CC1 ZINC000046059982 441076677 /nfs/dbraw/zinc/07/66/77/441076677.db2.gz LDEWBINQRMDWAI-MRXNPFEDSA-N 1 2 338.496 1.879 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)c1c(F)cccc1F ZINC000081158110 441237489 /nfs/dbraw/zinc/23/74/89/441237489.db2.gz RQNBATHNTQBWPR-INIZCTEOSA-N 1 2 339.386 1.546 20 30 EDEDLO NC(=[NH+]OCc1nnnn1C1CC1)c1ccc(N2CCCCC2)nc1 ZINC000058498519 441198771 /nfs/dbraw/zinc/19/87/71/441198771.db2.gz HFMBRRYWHVXWGB-UHFFFAOYSA-N 1 2 342.407 1.230 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744169 441223615 /nfs/dbraw/zinc/22/36/15/441223615.db2.gz FNEJAFGOYBQKEA-AWEZNQCLSA-N 1 2 345.403 1.477 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCOc1ccccc1 ZINC000060634064 441255023 /nfs/dbraw/zinc/25/50/23/441255023.db2.gz TZVLQLYMRXDQTJ-UHFFFAOYSA-N 1 2 345.443 1.920 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000072829117 441263801 /nfs/dbraw/zinc/26/38/01/441263801.db2.gz VYCGANABHKLUTN-KRWDZBQOSA-N 1 2 346.818 1.752 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000072829117 441263803 /nfs/dbraw/zinc/26/38/03/441263803.db2.gz VYCGANABHKLUTN-KRWDZBQOSA-N 1 2 346.818 1.752 20 30 EDEDLO Cc1nc(CN2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)oc1C ZINC000105797172 441271952 /nfs/dbraw/zinc/27/19/52/441271952.db2.gz JDFBOOWUJWMULQ-AWEZNQCLSA-N 1 2 333.436 1.170 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000105797291 441272363 /nfs/dbraw/zinc/27/23/63/441272363.db2.gz SWTVKGFXKKUVOJ-INIZCTEOSA-N 1 2 346.475 1.998 20 30 EDEDLO C[C@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000023258759 441292053 /nfs/dbraw/zinc/29/20/53/441292053.db2.gz GPEZCUGALYMYNU-KRWDZBQOSA-N 1 2 340.471 1.934 20 30 EDEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000023258759 441292058 /nfs/dbraw/zinc/29/20/58/441292058.db2.gz GPEZCUGALYMYNU-KRWDZBQOSA-N 1 2 340.471 1.934 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NCc3ccco3)CC2)cc1 ZINC000023257691 441292518 /nfs/dbraw/zinc/29/25/18/441292518.db2.gz JRJXACKVHWEMOU-UHFFFAOYSA-N 1 2 338.411 1.585 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)COc2ccc(C#N)cc2)CC1 ZINC000106033219 441324084 /nfs/dbraw/zinc/32/40/84/441324084.db2.gz RGFQNOWLJDUNKD-UHFFFAOYSA-N 1 2 339.399 1.015 20 30 EDEDLO CNC(=O)C1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083132906 441351176 /nfs/dbraw/zinc/35/11/76/441351176.db2.gz CBIRITZTUWCQJK-ZDUSSCGKSA-N 1 2 332.429 1.183 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000064248399 441368018 /nfs/dbraw/zinc/36/80/18/441368018.db2.gz GCZQZZWAACPKRK-UHFFFAOYSA-N 1 2 333.436 1.032 20 30 EDEDLO CNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000029163518 441448682 /nfs/dbraw/zinc/44/86/82/441448682.db2.gz SJRHQFPMQPMOCV-UHFFFAOYSA-N 1 2 346.456 1.699 20 30 EDEDLO COC1CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000065949896 441495994 /nfs/dbraw/zinc/49/59/94/441495994.db2.gz MGYDPGVSVCAAHO-UHFFFAOYSA-N 1 2 339.399 1.793 20 30 EDEDLO C=C(Br)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000052440243 441451433 /nfs/dbraw/zinc/45/14/33/441451433.db2.gz QWCRYEFHVHAIMY-UHFFFAOYSA-N 1 2 332.286 1.817 20 30 EDEDLO C=C(Br)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000052440243 441451437 /nfs/dbraw/zinc/45/14/37/441451437.db2.gz QWCRYEFHVHAIMY-UHFFFAOYSA-N 1 2 332.286 1.817 20 30 EDEDLO C=C(Br)C[N@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000052440243 441451442 /nfs/dbraw/zinc/45/14/42/441451442.db2.gz QWCRYEFHVHAIMY-UHFFFAOYSA-N 1 2 332.286 1.817 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000052440243 441451444 /nfs/dbraw/zinc/45/14/44/441451444.db2.gz QWCRYEFHVHAIMY-UHFFFAOYSA-N 1 2 332.286 1.817 20 30 EDEDLO CCC(CC)[C@H](CNS(=O)(=O)CCCC#N)[NH+]1CCOCC1 ZINC000111327428 441533786 /nfs/dbraw/zinc/53/37/86/441533786.db2.gz HDVLCCGPJSUFIX-HNNXBMFYSA-N 1 2 331.482 1.347 20 30 EDEDLO N#CC1(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCCCC1 ZINC000112679963 441553232 /nfs/dbraw/zinc/55/32/32/441553232.db2.gz MYYIOARBMZSHCA-UHFFFAOYSA-N 1 2 346.475 1.521 20 30 EDEDLO Cn1cc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000054807105 441599418 /nfs/dbraw/zinc/59/94/18/441599418.db2.gz BOLSRAKLRPGOJQ-UHFFFAOYSA-N 1 2 338.415 1.319 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC4(C3)OCCO4)o2)cc1 ZINC000090563891 441635736 /nfs/dbraw/zinc/63/57/36/441635736.db2.gz GPESYQCWITYGMN-UHFFFAOYSA-N 1 2 326.356 1.947 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC4(C3)OCCO4)o2)cc1 ZINC000090563891 441635738 /nfs/dbraw/zinc/63/57/38/441635738.db2.gz GPESYQCWITYGMN-UHFFFAOYSA-N 1 2 326.356 1.947 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000076877386 441691347 /nfs/dbraw/zinc/69/13/47/441691347.db2.gz JANKYBISLGXHGQ-UHFFFAOYSA-N 1 2 335.477 1.331 20 30 EDEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)C(C)(C)C#N)CC2)c1 ZINC000042108226 441704876 /nfs/dbraw/zinc/70/48/76/441704876.db2.gz OXDJLHOHVIICEQ-UHFFFAOYSA-N 1 2 331.416 1.898 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1)C1(C#N)CCCCC1 ZINC000121583362 441737446 /nfs/dbraw/zinc/73/74/46/441737446.db2.gz FLZGLHHRGRGNNW-UHFFFAOYSA-N 1 2 346.475 1.616 20 30 EDEDLO CN(C(=O)C[N@H+]1CCCN(C(=O)C2CC2)CC1)C1(C#N)CCCCC1 ZINC000121583362 441737452 /nfs/dbraw/zinc/73/74/52/441737452.db2.gz FLZGLHHRGRGNNW-UHFFFAOYSA-N 1 2 346.475 1.616 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(N(C)C)s1 ZINC000091936760 441755655 /nfs/dbraw/zinc/75/56/55/441755655.db2.gz NDFZHLVAXORMKT-GFCCVEGCSA-N 1 2 343.460 1.581 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(N(C)C)s1 ZINC000091936760 441755664 /nfs/dbraw/zinc/75/56/64/441755664.db2.gz NDFZHLVAXORMKT-GFCCVEGCSA-N 1 2 343.460 1.581 20 30 EDEDLO CCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000077389076 441770107 /nfs/dbraw/zinc/77/01/07/441770107.db2.gz OCFDYGOJRCXOMX-HNNXBMFYSA-N 1 2 334.464 1.662 20 30 EDEDLO CCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000077389076 441770109 /nfs/dbraw/zinc/77/01/09/441770109.db2.gz OCFDYGOJRCXOMX-HNNXBMFYSA-N 1 2 334.464 1.662 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000122225227 441840235 /nfs/dbraw/zinc/84/02/35/441840235.db2.gz MDIRGXPJUWJVNX-UHFFFAOYSA-N 1 2 343.475 1.102 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000122225227 441840238 /nfs/dbraw/zinc/84/02/38/441840238.db2.gz MDIRGXPJUWJVNX-UHFFFAOYSA-N 1 2 343.475 1.102 20 30 EDEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n(C)c(=O)n1C ZINC000078338156 441920861 /nfs/dbraw/zinc/92/08/61/441920861.db2.gz QJGYEHYQSOFSPJ-UHFFFAOYSA-N 1 2 339.848 1.987 20 30 EDEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(=O)n(C)c(=O)n1C ZINC000078338156 441920863 /nfs/dbraw/zinc/92/08/63/441920863.db2.gz QJGYEHYQSOFSPJ-UHFFFAOYSA-N 1 2 339.848 1.987 20 30 EDEDLO N#Cc1ccsc1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161233370 441975705 /nfs/dbraw/zinc/97/57/05/441975705.db2.gz TZXQARCGVCVPFO-UHFFFAOYSA-N 1 2 341.440 1.771 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)n2c1 ZINC000160988298 441943998 /nfs/dbraw/zinc/94/39/98/441943998.db2.gz PQMDLLJGACUJOF-INIZCTEOSA-N 1 2 339.399 1.029 20 30 EDEDLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC000078618091 441952181 /nfs/dbraw/zinc/95/21/81/441952181.db2.gz XIFCFTISQJVESM-UHFFFAOYSA-N 1 2 337.383 1.132 20 30 EDEDLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC000078618091 441952188 /nfs/dbraw/zinc/95/21/88/441952188.db2.gz XIFCFTISQJVESM-UHFFFAOYSA-N 1 2 337.383 1.132 20 30 EDEDLO C[C@H]1CCCC[C@@H]1NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078686751 441963410 /nfs/dbraw/zinc/96/34/10/441963410.db2.gz YFUWNRQAINCFJK-IRXDYDNUSA-N 1 2 336.480 1.229 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000120033992 441995984 /nfs/dbraw/zinc/99/59/84/441995984.db2.gz XWOOCFQEJBLXHC-AWEZNQCLSA-N 1 2 346.431 1.737 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000120033992 441995987 /nfs/dbraw/zinc/99/59/87/441995987.db2.gz XWOOCFQEJBLXHC-AWEZNQCLSA-N 1 2 346.431 1.737 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000161329968 441985867 /nfs/dbraw/zinc/98/58/67/441985867.db2.gz TXXNTFSWCWVYBX-UHFFFAOYSA-N 1 2 328.416 1.103 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000161329968 441985873 /nfs/dbraw/zinc/98/58/73/441985873.db2.gz TXXNTFSWCWVYBX-UHFFFAOYSA-N 1 2 328.416 1.103 20 30 EDEDLO COCCC[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000120183566 442024696 /nfs/dbraw/zinc/02/46/96/442024696.db2.gz SCNIUZZFIJQAMD-CYBMUJFWSA-N 1 2 328.459 1.645 20 30 EDEDLO COCCC[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000120183566 442024699 /nfs/dbraw/zinc/02/46/99/442024699.db2.gz SCNIUZZFIJQAMD-CYBMUJFWSA-N 1 2 328.459 1.645 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(CC(=O)Nc3sccc3C#N)CC2)S1 ZINC000079497350 442053793 /nfs/dbraw/zinc/05/37/93/442053793.db2.gz YBCIKRSHQQZYSE-NSHDSACASA-N 1 2 349.485 1.667 20 30 EDEDLO C=CCN(CC=C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000079543058 442059661 /nfs/dbraw/zinc/05/96/61/442059661.db2.gz ASNKLOSPAMGUDC-MRXNPFEDSA-N 1 2 325.478 1.578 20 30 EDEDLO CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000175425519 442061505 /nfs/dbraw/zinc/06/15/05/442061505.db2.gz SZMKMALTJHFBFZ-CABCVRRESA-N 1 2 346.435 1.728 20 30 EDEDLO CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000175425519 442061507 /nfs/dbraw/zinc/06/15/07/442061507.db2.gz SZMKMALTJHFBFZ-CABCVRRESA-N 1 2 346.435 1.728 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000120618141 442106503 /nfs/dbraw/zinc/10/65/03/442106503.db2.gz TVQWMXPTXVMYSL-OAHLLOKOSA-N 1 2 335.429 1.223 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000120618141 442106509 /nfs/dbraw/zinc/10/65/09/442106509.db2.gz TVQWMXPTXVMYSL-OAHLLOKOSA-N 1 2 335.429 1.223 20 30 EDEDLO C=CC[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000121163942 442185238 /nfs/dbraw/zinc/18/52/38/442185238.db2.gz IHBGLUVUOGVVIO-UHFFFAOYSA-N 1 2 336.461 1.924 20 30 EDEDLO C=CC[N@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000121163942 442185242 /nfs/dbraw/zinc/18/52/42/442185242.db2.gz IHBGLUVUOGVVIO-UHFFFAOYSA-N 1 2 336.461 1.924 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000177191706 442312032 /nfs/dbraw/zinc/31/20/32/442312032.db2.gz QAZDDKNEDFOQFG-CYBMUJFWSA-N 1 2 347.382 1.347 20 30 EDEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000155042198 442372400 /nfs/dbraw/zinc/37/24/00/442372400.db2.gz VNFPMRMGZOCZCG-UHFFFAOYSA-N 1 2 332.469 1.895 20 30 EDEDLO C#C[C@@H](C)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000186075265 442457789 /nfs/dbraw/zinc/45/77/89/442457789.db2.gz MGWXXTPMYUGQEJ-CQSZACIVSA-N 1 2 328.416 1.410 20 30 EDEDLO C=CC[N@@H+](CCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000178764653 442478713 /nfs/dbraw/zinc/47/87/13/442478713.db2.gz XJTWQIKHUIQDKE-AWEZNQCLSA-N 1 2 325.430 1.749 20 30 EDEDLO C=CC[N@H+](CCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000178764653 442478718 /nfs/dbraw/zinc/47/87/18/442478718.db2.gz XJTWQIKHUIQDKE-AWEZNQCLSA-N 1 2 325.430 1.749 20 30 EDEDLO C=C(C)CNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000156430622 442479688 /nfs/dbraw/zinc/47/96/88/442479688.db2.gz FLAZQHOEYYZHFQ-UHFFFAOYSA-N 1 2 331.420 1.159 20 30 EDEDLO COC(=O)[C@]1(C)CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000179002566 442550224 /nfs/dbraw/zinc/55/02/24/442550224.db2.gz HLRYHSCWPLUAEL-MRXNPFEDSA-N 1 2 336.413 1.217 20 30 EDEDLO COC(=O)[C@]1(C)CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000179002566 442550229 /nfs/dbraw/zinc/55/02/29/442550229.db2.gz HLRYHSCWPLUAEL-MRXNPFEDSA-N 1 2 336.413 1.217 20 30 EDEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1C#N ZINC000135144868 442560246 /nfs/dbraw/zinc/56/02/46/442560246.db2.gz CJPKLJBSVJQCJE-CQSZACIVSA-N 1 2 348.410 1.939 20 30 EDEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1C#N ZINC000135144868 442560249 /nfs/dbraw/zinc/56/02/49/442560249.db2.gz CJPKLJBSVJQCJE-CQSZACIVSA-N 1 2 348.410 1.939 20 30 EDEDLO C[C@@H]1C(=O)N(C)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000186993782 442642208 /nfs/dbraw/zinc/64/22/08/442642208.db2.gz UQEVJIIKKKHKKS-LLVKDONJSA-N 1 2 346.456 1.600 20 30 EDEDLO C[C@@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000186993782 442642213 /nfs/dbraw/zinc/64/22/13/442642213.db2.gz UQEVJIIKKKHKKS-LLVKDONJSA-N 1 2 346.456 1.600 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000180719819 442652197 /nfs/dbraw/zinc/65/21/97/442652197.db2.gz VNZPMIATGHOLFM-ROUUACIJSA-N 1 2 349.438 1.855 20 30 EDEDLO C=C(C)[C@@H]([NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)c1ccc(F)c(F)c1 ZINC000187792790 442692536 /nfs/dbraw/zinc/69/25/36/442692536.db2.gz MXKKHDWMJABCIE-BDJLRTHQSA-N 1 2 339.386 1.765 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000192574302 442664312 /nfs/dbraw/zinc/66/43/12/442664312.db2.gz XDPRLJXAEOKOFC-CVEARBPZSA-N 1 2 349.456 1.168 20 30 EDEDLO COc1ccc(C[NH+]2CCN(C(=O)NC[C@H](C)C#N)CC2)cc1F ZINC000182861418 442838212 /nfs/dbraw/zinc/83/82/12/442838212.db2.gz RYRCBGNEEVXOIQ-CYBMUJFWSA-N 1 2 334.395 1.821 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H]([NH+]3CCOCC3)C2)c(C#N)c1C ZINC000247224079 442841826 /nfs/dbraw/zinc/84/18/26/442841826.db2.gz WKCVHZIRXJCWPT-UKRRQHHQSA-N 1 2 346.431 1.502 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(C#N)c1C ZINC000247224079 442841831 /nfs/dbraw/zinc/84/18/31/442841831.db2.gz WKCVHZIRXJCWPT-UKRRQHHQSA-N 1 2 346.431 1.502 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)c(C#N)c1C ZINC000247224079 442841834 /nfs/dbraw/zinc/84/18/34/442841834.db2.gz WKCVHZIRXJCWPT-UKRRQHHQSA-N 1 2 346.431 1.502 20 30 EDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248754122 442924321 /nfs/dbraw/zinc/92/43/21/442924321.db2.gz PCKDENIVGCETAY-SJORKVTESA-N 1 2 340.427 1.654 20 30 EDEDLO CNC(=O)[C@H]1CCCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248754122 442924325 /nfs/dbraw/zinc/92/43/25/442924325.db2.gz PCKDENIVGCETAY-SJORKVTESA-N 1 2 340.427 1.654 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183735607 442957059 /nfs/dbraw/zinc/95/70/59/442957059.db2.gz QQRWCYSTHOYIKB-ZFWWWQNUSA-N 1 2 343.493 1.004 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183735607 442957065 /nfs/dbraw/zinc/95/70/65/442957065.db2.gz QQRWCYSTHOYIKB-ZFWWWQNUSA-N 1 2 343.493 1.004 20 30 EDEDLO Cc1cc(F)ccc1[C@H]1C(=O)NCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000184755829 443072813 /nfs/dbraw/zinc/07/28/13/443072813.db2.gz KKSSUMOJSYVVPC-KRWDZBQOSA-N 1 2 346.406 1.369 20 30 EDEDLO Cc1cc(F)ccc1[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000184755829 443072817 /nfs/dbraw/zinc/07/28/17/443072817.db2.gz KKSSUMOJSYVVPC-KRWDZBQOSA-N 1 2 346.406 1.369 20 30 EDEDLO CO[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000263950233 443244103 /nfs/dbraw/zinc/24/41/03/443244103.db2.gz IVCSWOGLSODUDW-TZMCWYRMSA-N 1 2 340.383 1.622 20 30 EDEDLO CO[C@@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000263950233 443244106 /nfs/dbraw/zinc/24/41/06/443244106.db2.gz IVCSWOGLSODUDW-TZMCWYRMSA-N 1 2 340.383 1.622 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245503023 443233048 /nfs/dbraw/zinc/23/30/48/443233048.db2.gz CJVKTBPADPSVEU-BEFAXECRSA-N 1 2 327.428 1.921 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245503023 443233051 /nfs/dbraw/zinc/23/30/51/443233051.db2.gz CJVKTBPADPSVEU-BEFAXECRSA-N 1 2 327.428 1.921 20 30 EDEDLO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cn(-c2ccccc2)nn1 ZINC000185467926 443205240 /nfs/dbraw/zinc/20/52/40/443205240.db2.gz SMJWCTDHQJPUFN-UGSOOPFHSA-N 1 2 338.415 1.726 20 30 EDEDLO CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccnc(C#N)c2)CC1 ZINC000610992071 450400781 /nfs/dbraw/zinc/40/07/81/450400781.db2.gz WATLEIFYKPWLLK-UHFFFAOYSA-N 1 2 329.448 1.329 20 30 EDEDLO CCN(CC)C(=O)CN1CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000610992071 450400787 /nfs/dbraw/zinc/40/07/87/450400787.db2.gz WATLEIFYKPWLLK-UHFFFAOYSA-N 1 2 329.448 1.329 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246059188 443264480 /nfs/dbraw/zinc/26/44/80/443264480.db2.gz AXRKXMLMNYXOFX-LSDHHAIUSA-N 1 2 328.478 1.475 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246059188 443264485 /nfs/dbraw/zinc/26/44/85/443264485.db2.gz AXRKXMLMNYXOFX-LSDHHAIUSA-N 1 2 328.478 1.475 20 30 EDEDLO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@H](O)C[NH+]1CCOCC1 ZINC000269402170 443304601 /nfs/dbraw/zinc/30/46/01/443304601.db2.gz XKECWTZFNJXULR-HNNXBMFYSA-N 1 2 344.390 1.659 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000264626221 443352866 /nfs/dbraw/zinc/35/28/66/443352866.db2.gz SPCCLWMKNIIYMD-ZFWWWQNUSA-N 1 2 341.333 1.562 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000264626221 443352869 /nfs/dbraw/zinc/35/28/69/443352869.db2.gz SPCCLWMKNIIYMD-ZFWWWQNUSA-N 1 2 341.333 1.562 20 30 EDEDLO C=CCOc1ccc(C[N@H+](CCOC)CC(=O)N(C)C)cc1OC ZINC000271083899 443490500 /nfs/dbraw/zinc/49/05/00/443490500.db2.gz ARHBIFBHYGIRTG-UHFFFAOYSA-N 1 2 336.432 1.797 20 30 EDEDLO C=CCOc1ccc(C[N@@H+](CCOC)CC(=O)N(C)C)cc1OC ZINC000271083899 443490503 /nfs/dbraw/zinc/49/05/03/443490503.db2.gz ARHBIFBHYGIRTG-UHFFFAOYSA-N 1 2 336.432 1.797 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](CCOC)Cc1ccc2c(c1)OCO2 ZINC000264840289 443448522 /nfs/dbraw/zinc/44/85/22/443448522.db2.gz VNHAGLLDDBMTDC-UHFFFAOYSA-N 1 2 347.415 1.626 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](CCOC)Cc1ccc2c(c1)OCO2 ZINC000264840289 443448525 /nfs/dbraw/zinc/44/85/25/443448525.db2.gz VNHAGLLDDBMTDC-UHFFFAOYSA-N 1 2 347.415 1.626 20 30 EDEDLO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(C#N)ccn3)CC2)cn1 ZINC000282908728 443466807 /nfs/dbraw/zinc/46/68/07/443466807.db2.gz BHSMACKUEKRCRY-UHFFFAOYSA-N 1 2 338.415 1.518 20 30 EDEDLO CCn1cc(C[N@H+]2CCCN(C(=O)c3cc(C#N)ccn3)CC2)cn1 ZINC000282908728 443466809 /nfs/dbraw/zinc/46/68/09/443466809.db2.gz BHSMACKUEKRCRY-UHFFFAOYSA-N 1 2 338.415 1.518 20 30 EDEDLO N#CCCCNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000273228475 443564125 /nfs/dbraw/zinc/56/41/25/443564125.db2.gz LMNDEVDUXFPKJA-MRXNPFEDSA-N 1 2 346.431 1.057 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(-c3cnn(C)c3)oc2C)CC1 ZINC000267766279 443570389 /nfs/dbraw/zinc/57/03/89/443570389.db2.gz RXDMHSVOHIANAM-UHFFFAOYSA-N 1 2 327.388 1.165 20 30 EDEDLO C=CCNc1ncc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)s1 ZINC000279754991 443626543 /nfs/dbraw/zinc/62/65/43/443626543.db2.gz TVFSGLADBGFCIA-UHFFFAOYSA-N 1 2 338.477 1.924 20 30 EDEDLO C=CCNc1ncc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)s1 ZINC000279754991 443626545 /nfs/dbraw/zinc/62/65/45/443626545.db2.gz TVFSGLADBGFCIA-UHFFFAOYSA-N 1 2 338.477 1.924 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ncccc1C#N ZINC000275562034 443631917 /nfs/dbraw/zinc/63/19/17/443631917.db2.gz GKLWTNJSRONBLR-HOCLYGCPSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ncccc1C#N ZINC000275562034 443631919 /nfs/dbraw/zinc/63/19/19/443631919.db2.gz GKLWTNJSRONBLR-HOCLYGCPSA-N 1 2 328.395 1.736 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000286752454 443724712 /nfs/dbraw/zinc/72/47/12/443724712.db2.gz VAGGTQZVODOSOG-UHFFFAOYSA-N 1 2 347.362 1.430 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000287251688 443738552 /nfs/dbraw/zinc/73/85/52/443738552.db2.gz IGZJIDDFVZKOER-UHFFFAOYSA-N 1 2 343.427 1.174 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000292262071 443787733 /nfs/dbraw/zinc/78/77/33/443787733.db2.gz NDFPMCNVZMYAKO-UHFFFAOYSA-N 1 2 344.337 1.722 20 30 EDEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000284763570 443788208 /nfs/dbraw/zinc/78/82/08/443788208.db2.gz WRXAMLBZZGLHBL-RDJZCZTQSA-N 1 2 331.391 1.909 20 30 EDEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000284763570 443788213 /nfs/dbraw/zinc/78/82/13/443788213.db2.gz WRXAMLBZZGLHBL-RDJZCZTQSA-N 1 2 331.391 1.909 20 30 EDEDLO CSC[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000292427874 443794933 /nfs/dbraw/zinc/79/49/33/443794933.db2.gz NIGBMVFGNMMINP-AWEZNQCLSA-N 1 2 339.486 1.802 20 30 EDEDLO CSC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000292427874 443794936 /nfs/dbraw/zinc/79/49/36/443794936.db2.gz NIGBMVFGNMMINP-AWEZNQCLSA-N 1 2 339.486 1.802 20 30 EDEDLO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H](C)OC ZINC000291275672 443754908 /nfs/dbraw/zinc/75/49/08/443754908.db2.gz PXKKFZSHTYKCKW-TZMCWYRMSA-N 1 2 342.399 1.868 20 30 EDEDLO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H](C)OC ZINC000291275672 443754911 /nfs/dbraw/zinc/75/49/11/443754911.db2.gz PXKKFZSHTYKCKW-TZMCWYRMSA-N 1 2 342.399 1.868 20 30 EDEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)NCc1ccc(Cl)cc1 ZINC000284075452 443763730 /nfs/dbraw/zinc/76/37/30/443763730.db2.gz KFKOEYQNVSNHEO-GWCFXTLKSA-N 1 2 325.796 1.813 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)n1 ZINC000280869675 443763898 /nfs/dbraw/zinc/76/38/98/443763898.db2.gz WNQYVCIHJVRJQP-SFHVURJKSA-N 1 2 344.459 1.508 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)n1 ZINC000280869675 443763899 /nfs/dbraw/zinc/76/38/99/443763899.db2.gz WNQYVCIHJVRJQP-SFHVURJKSA-N 1 2 344.459 1.508 20 30 EDEDLO N#CCOc1ccc(C[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000298411080 443763908 /nfs/dbraw/zinc/76/39/08/443763908.db2.gz MYIQMOAYIBVYJA-UHFFFAOYSA-N 1 2 342.443 1.329 20 30 EDEDLO N#CCOc1ccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000298411080 443763909 /nfs/dbraw/zinc/76/39/09/443763909.db2.gz MYIQMOAYIBVYJA-UHFFFAOYSA-N 1 2 342.443 1.329 20 30 EDEDLO COC(=O)[C@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000280908529 443772070 /nfs/dbraw/zinc/77/20/70/443772070.db2.gz QGNPUEBOQMJBMZ-ZDUSSCGKSA-N 1 2 327.388 1.852 20 30 EDEDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000280908529 443772077 /nfs/dbraw/zinc/77/20/77/443772077.db2.gz QGNPUEBOQMJBMZ-ZDUSSCGKSA-N 1 2 327.388 1.852 20 30 EDEDLO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CC(C)(C)O1 ZINC000284514772 443778289 /nfs/dbraw/zinc/77/82/89/443778289.db2.gz JLGYQBHADFJBNX-HNNXBMFYSA-N 1 2 335.404 1.235 20 30 EDEDLO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CC(C)(C)O1 ZINC000284514772 443778291 /nfs/dbraw/zinc/77/82/91/443778291.db2.gz JLGYQBHADFJBNX-HNNXBMFYSA-N 1 2 335.404 1.235 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000292695704 443820795 /nfs/dbraw/zinc/82/07/95/443820795.db2.gz LHFLFLUBFXGHFA-HIFRSBDPSA-N 1 2 347.444 1.767 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC(NC(=O)C(C)C)CC2)c(C#N)c1C ZINC000298724743 443850287 /nfs/dbraw/zinc/85/02/87/443850287.db2.gz FPHNYNBKILHRCU-UHFFFAOYSA-N 1 2 346.431 1.943 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CCCS(=O)(=O)c2ccccc2)C1=O ZINC000281189608 443843059 /nfs/dbraw/zinc/84/30/59/443843059.db2.gz BNNKHDQLKGGQMQ-MRXNPFEDSA-N 1 2 336.457 1.569 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CCCS(=O)(=O)c2ccccc2)C1=O ZINC000281189608 443843062 /nfs/dbraw/zinc/84/30/62/443843062.db2.gz BNNKHDQLKGGQMQ-MRXNPFEDSA-N 1 2 336.457 1.569 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C(=O)NC2CC2)c2ccccc2)C1=O ZINC000281282844 443868293 /nfs/dbraw/zinc/86/82/93/443868293.db2.gz IVOJPKHJTWCTCN-IRXDYDNUSA-N 1 2 327.428 1.725 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C(=O)NC2CC2)c2ccccc2)C1=O ZINC000281282844 443868298 /nfs/dbraw/zinc/86/82/98/443868298.db2.gz IVOJPKHJTWCTCN-IRXDYDNUSA-N 1 2 327.428 1.725 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H](O)CC1 ZINC000293260849 443965667 /nfs/dbraw/zinc/96/56/67/443965667.db2.gz UJRNLDMAGSZWML-INIZCTEOSA-N 1 2 339.399 1.529 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H](O)CC1 ZINC000293260849 443965671 /nfs/dbraw/zinc/96/56/71/443965671.db2.gz UJRNLDMAGSZWML-INIZCTEOSA-N 1 2 339.399 1.529 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000281677062 443976090 /nfs/dbraw/zinc/97/60/90/443976090.db2.gz ZGYOAHLVASHQQZ-OHFALNGGSA-N 1 2 348.447 1.921 20 30 EDEDLO COC(=O)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000299386300 444034226 /nfs/dbraw/zinc/03/42/26/444034226.db2.gz REOFQRVXHSCMJV-HNNXBMFYSA-N 1 2 347.440 1.978 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000281953002 444047809 /nfs/dbraw/zinc/04/78/09/444047809.db2.gz JTQVVQKBNOGLQK-BBRMVZONSA-N 1 2 336.457 1.870 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000281953002 444047812 /nfs/dbraw/zinc/04/78/12/444047812.db2.gz JTQVVQKBNOGLQK-BBRMVZONSA-N 1 2 336.457 1.870 20 30 EDEDLO CC#CCN(C)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000293409443 444008990 /nfs/dbraw/zinc/00/89/90/444008990.db2.gz KEYOYCOIMUHOTK-HNNXBMFYSA-N 1 2 343.427 1.500 20 30 EDEDLO C#CCOc1ccccc1C[N@H+]1CCc2c(nnn2CCOC)C1 ZINC000293612038 444069913 /nfs/dbraw/zinc/06/99/13/444069913.db2.gz KAHZVUYKOASQHZ-UHFFFAOYSA-N 1 2 326.400 1.495 20 30 EDEDLO C#CCOc1ccccc1C[N@@H+]1CCc2c(nnn2CCOC)C1 ZINC000293612038 444069914 /nfs/dbraw/zinc/06/99/14/444069914.db2.gz KAHZVUYKOASQHZ-UHFFFAOYSA-N 1 2 326.400 1.495 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000299556324 444078791 /nfs/dbraw/zinc/07/87/91/444078791.db2.gz UIAYUSJWROVLGU-AATRIKPKSA-N 1 2 338.411 1.646 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ncnc4ccsc43)CC2)C1=O ZINC000282007431 444061584 /nfs/dbraw/zinc/06/15/84/444061584.db2.gz OBIVYTAOBWQOLA-AWEZNQCLSA-N 1 2 343.456 1.600 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1cccc(OCC#N)c1 ZINC000285739511 444092483 /nfs/dbraw/zinc/09/24/83/444092483.db2.gz JIAYLQHZHCCPEE-WBVHZDCISA-N 1 2 343.427 1.453 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC(=O)N(C)[C@H](C)C2)c(OC)c1 ZINC000282125287 444093085 /nfs/dbraw/zinc/09/30/85/444093085.db2.gz JSLHHQFLFWADBD-GDBMZVCRSA-N 1 2 348.443 1.326 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c(OC)c1 ZINC000282125287 444093087 /nfs/dbraw/zinc/09/30/87/444093087.db2.gz JSLHHQFLFWADBD-GDBMZVCRSA-N 1 2 348.443 1.326 20 30 EDEDLO CCOC(=O)C[N@H+](Cc1cnc2c(C#N)cnn2c1)C1CCCC1 ZINC000567895189 321266963 /nfs/dbraw/zinc/26/69/63/321266963.db2.gz ADCHMAIUEOXEQH-UHFFFAOYSA-N 1 2 327.388 1.909 20 30 EDEDLO CCOC(=O)C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CCCC1 ZINC000567895189 321266964 /nfs/dbraw/zinc/26/69/64/321266964.db2.gz ADCHMAIUEOXEQH-UHFFFAOYSA-N 1 2 327.388 1.909 20 30 EDEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000569062301 321316709 /nfs/dbraw/zinc/31/67/09/321316709.db2.gz MMHZGSHHSVGGRA-HZPDHXFCSA-N 1 2 341.459 1.865 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301356463 444165943 /nfs/dbraw/zinc/16/59/43/444165943.db2.gz ORQMIRMBAKHRAC-AWEZNQCLSA-N 1 2 349.438 1.896 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2[nH]c1=S ZINC000295346087 444179130 /nfs/dbraw/zinc/17/91/30/444179130.db2.gz YOKPLLLILKVWFU-UHFFFAOYSA-N 1 2 344.440 1.433 20 30 EDEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290345389 444269942 /nfs/dbraw/zinc/26/99/42/444269942.db2.gz NJFFXJBFTKTERO-UHFFFAOYSA-N 1 2 340.387 1.292 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2cncc(C#N)c2)c2ccccc2C1 ZINC000289973313 444225693 /nfs/dbraw/zinc/22/56/93/444225693.db2.gz XEUBTDGVJDBPQZ-UHFFFAOYSA-N 1 2 328.397 1.594 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2cncc(C#N)c2)c2ccccc2C1 ZINC000289973313 444225695 /nfs/dbraw/zinc/22/56/95/444225695.db2.gz XEUBTDGVJDBPQZ-UHFFFAOYSA-N 1 2 328.397 1.594 20 30 EDEDLO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000315034142 444303561 /nfs/dbraw/zinc/30/35/61/444303561.db2.gz HDQSAWMYXYWHRU-ZDUSSCGKSA-N 1 2 327.837 1.677 20 30 EDEDLO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000315034142 444303563 /nfs/dbraw/zinc/30/35/63/444303563.db2.gz HDQSAWMYXYWHRU-ZDUSSCGKSA-N 1 2 327.837 1.677 20 30 EDEDLO COCc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)no1 ZINC000297636997 444311561 /nfs/dbraw/zinc/31/15/61/444311561.db2.gz MKQLBPGGVYKBOA-KRWDZBQOSA-N 1 2 340.383 1.978 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@](O)(CO)C1 ZINC000313635666 444297447 /nfs/dbraw/zinc/29/74/47/444297447.db2.gz LNQAJXBVAGPHKC-CQSZACIVSA-N 1 2 325.206 1.640 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313635666 444297448 /nfs/dbraw/zinc/29/74/48/444297448.db2.gz LNQAJXBVAGPHKC-CQSZACIVSA-N 1 2 325.206 1.640 20 30 EDEDLO CCN(C(=O)NCc1cn2c([nH+]1)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000328782424 444350912 /nfs/dbraw/zinc/35/09/12/444350912.db2.gz NDLCATALRQYVSM-CYBMUJFWSA-N 1 2 340.449 1.142 20 30 EDEDLO CCC(=O)N[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000330996111 444351545 /nfs/dbraw/zinc/35/15/45/444351545.db2.gz XGBRCMPGEGYLNF-CQSZACIVSA-N 1 2 335.452 1.944 20 30 EDEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCNC2=O)ccc1Cl ZINC000340225576 444371886 /nfs/dbraw/zinc/37/18/86/444371886.db2.gz JTGNPTZZGUTCPN-OAHLLOKOSA-N 1 2 348.834 1.715 20 30 EDEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCNC2=O)ccc1Cl ZINC000340225576 444371891 /nfs/dbraw/zinc/37/18/91/444371891.db2.gz JTGNPTZZGUTCPN-OAHLLOKOSA-N 1 2 348.834 1.715 20 30 EDEDLO C[C@H](CCO)C1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CCC1 ZINC000328845286 444372846 /nfs/dbraw/zinc/37/28/46/444372846.db2.gz AEHLDPYRHUZORI-PMPSAXMXSA-N 1 2 339.480 1.494 20 30 EDEDLO C[C@H](CCO)C1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCC1 ZINC000328845286 444372849 /nfs/dbraw/zinc/37/28/49/444372849.db2.gz AEHLDPYRHUZORI-PMPSAXMXSA-N 1 2 339.480 1.494 20 30 EDEDLO CCC(=O)N1CSC[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000328927042 444406787 /nfs/dbraw/zinc/40/67/87/444406787.db2.gz WVIOWHJWCBKDMU-GFCCVEGCSA-N 1 2 329.466 1.365 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000328933935 444411013 /nfs/dbraw/zinc/41/10/13/444411013.db2.gz CAXLFBPYCWULQT-KFWWJZLASA-N 1 2 344.415 1.769 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000328933935 444411014 /nfs/dbraw/zinc/41/10/14/444411014.db2.gz CAXLFBPYCWULQT-KFWWJZLASA-N 1 2 344.415 1.769 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CC(=O)N([C@@H]3C[C@@H]3C)C1)CCC2 ZINC000328654834 444415887 /nfs/dbraw/zinc/41/58/87/444415887.db2.gz MDGXMJSGDVFMQA-SPWCGHHHSA-N 1 2 345.447 1.582 20 30 EDEDLO CC(=O)N1CCCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000328656365 444417584 /nfs/dbraw/zinc/41/75/84/444417584.db2.gz NTVIGWVSUDGQTJ-OAHLLOKOSA-N 1 2 333.436 1.537 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000340512603 444420196 /nfs/dbraw/zinc/42/01/96/444420196.db2.gz UDZVBUOXWINCMD-GDBMZVCRSA-N 1 2 346.431 1.097 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)C[C@H]21 ZINC000328880324 444386145 /nfs/dbraw/zinc/38/61/45/444386145.db2.gz LTYIEGFBKBNDDV-FPCVCCKLSA-N 1 2 339.480 1.899 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)C[C@H]21 ZINC000328880324 444386149 /nfs/dbraw/zinc/38/61/49/444386149.db2.gz LTYIEGFBKBNDDV-FPCVCCKLSA-N 1 2 339.480 1.899 20 30 EDEDLO CC(=O)N1CC[C@@H](NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000329028497 444450700 /nfs/dbraw/zinc/45/07/00/444450700.db2.gz WJHMVRJTHAPUOW-QGZVFWFLSA-N 1 2 348.422 1.478 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000329070623 444464379 /nfs/dbraw/zinc/46/43/79/444464379.db2.gz NLFRDZYEJOSJPZ-HUUCEWRRSA-N 1 2 341.477 1.195 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000329080189 444466675 /nfs/dbraw/zinc/46/66/75/444466675.db2.gz RFHWUDIEQKFYFS-NXHRZFHOSA-N 1 2 332.400 1.178 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000329080189 444466679 /nfs/dbraw/zinc/46/66/79/444466679.db2.gz RFHWUDIEQKFYFS-NXHRZFHOSA-N 1 2 332.400 1.178 20 30 EDEDLO CC(C)(C(=O)NCCNC(=O)NC1CCCCC1)[NH+]1CCOCC1 ZINC000328692094 444431316 /nfs/dbraw/zinc/43/13/16/444431316.db2.gz RMKCRYKREZQDCP-UHFFFAOYSA-N 1 2 340.468 1.890 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(CC(C)C)n2CC=C)CC1 ZINC000337853346 444437343 /nfs/dbraw/zinc/43/73/43/444437343.db2.gz KFRKNQAQCDCGIJ-UHFFFAOYSA-N 1 2 346.479 1.087 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000340566018 444440811 /nfs/dbraw/zinc/44/08/11/444440811.db2.gz MTODTXKBLXTOJT-CQSZACIVSA-N 1 2 332.448 1.739 20 30 EDEDLO COCC1(CNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCC1 ZINC000328730627 444443280 /nfs/dbraw/zinc/44/32/80/444443280.db2.gz WQHOGCSPPKBCEO-HIFRSBDPSA-N 1 2 336.436 1.961 20 30 EDEDLO C[C@@H]1COCC[C@@H]1NC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329175202 444492420 /nfs/dbraw/zinc/49/24/20/444492420.db2.gz LLQHRJOJCCILFS-SNPRPXQTSA-N 1 2 336.436 1.816 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)NCC2(C)CCCCCC2)CC1 ZINC000332021848 444495855 /nfs/dbraw/zinc/49/58/55/444495855.db2.gz QZNSKYBDNOSWAI-UHFFFAOYSA-N 1 2 348.491 1.909 20 30 EDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000332160709 444502928 /nfs/dbraw/zinc/50/29/28/444502928.db2.gz YSNBXMZNHMPHJD-ZWKOTPCHSA-N 1 2 342.443 1.116 20 30 EDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000332160709 444502931 /nfs/dbraw/zinc/50/29/31/444502931.db2.gz YSNBXMZNHMPHJD-ZWKOTPCHSA-N 1 2 342.443 1.116 20 30 EDEDLO CC(C)C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CCO1 ZINC000329225325 444506522 /nfs/dbraw/zinc/50/65/22/444506522.db2.gz GEQJOJQTQGQKRU-WCVJEAGWSA-N 1 2 325.453 1.509 20 30 EDEDLO CC(C)C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCO1 ZINC000329225325 444506523 /nfs/dbraw/zinc/50/65/23/444506523.db2.gz GEQJOJQTQGQKRU-WCVJEAGWSA-N 1 2 325.453 1.509 20 30 EDEDLO CN(C[C@H]1C[C@@H](F)C[N@@H+]1Cc1ccnn1C)c1cnc(C#N)cn1 ZINC000338072207 444508369 /nfs/dbraw/zinc/50/83/69/444508369.db2.gz VXDBJPKZGIYSEB-IUODEOHRSA-N 1 2 329.383 1.131 20 30 EDEDLO CN(C[C@H]1C[C@@H](F)C[N@H+]1Cc1ccnn1C)c1cnc(C#N)cn1 ZINC000338072207 444508370 /nfs/dbraw/zinc/50/83/70/444508370.db2.gz VXDBJPKZGIYSEB-IUODEOHRSA-N 1 2 329.383 1.131 20 30 EDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329300203 444526464 /nfs/dbraw/zinc/52/64/64/444526464.db2.gz VGNAVZGPXRZQOL-RRFJBIMHSA-N 1 2 334.420 1.554 20 30 EDEDLO Cc1[nH+]ccn1C[C@@H](C)C[NH+]=C([O-])N1CCC(N2CCNC2=O)CC1 ZINC000329305939 444528583 /nfs/dbraw/zinc/52/85/83/444528583.db2.gz XSPWIDQRKWQYAI-ZDUSSCGKSA-N 1 2 348.451 1.436 20 30 EDEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCC(N2CCNC2=O)CC1 ZINC000329305937 444528659 /nfs/dbraw/zinc/52/86/59/444528659.db2.gz XSPWIDQRKWQYAI-CYBMUJFWSA-N 1 2 348.451 1.436 20 30 EDEDLO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000340916146 444573854 /nfs/dbraw/zinc/57/38/54/444573854.db2.gz ISBYKRHHMCJUMD-WFASDCNBSA-N 1 2 325.372 1.138 20 30 EDEDLO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000340916146 444573857 /nfs/dbraw/zinc/57/38/57/444573857.db2.gz ISBYKRHHMCJUMD-WFASDCNBSA-N 1 2 325.372 1.138 20 30 EDEDLO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nccs1 ZINC000343718235 444542728 /nfs/dbraw/zinc/54/27/28/444542728.db2.gz APCMWZGVRBWFPY-GFCCVEGCSA-N 1 2 336.442 1.924 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN(C([O-])=[NH+]CCc1cnccn1)C2 ZINC000329366332 444551185 /nfs/dbraw/zinc/55/11/85/444551185.db2.gz ILMHHQLVUNYKBI-UHFFFAOYSA-N 1 2 328.420 1.848 20 30 EDEDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000329566094 444631549 /nfs/dbraw/zinc/63/15/49/444631549.db2.gz KRBVIZIREDINRC-GFCCVEGCSA-N 1 2 328.420 1.535 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000329566094 444631553 /nfs/dbraw/zinc/63/15/53/444631553.db2.gz KRBVIZIREDINRC-GFCCVEGCSA-N 1 2 328.420 1.535 20 30 EDEDLO Cn1ncc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1C#N ZINC000338261647 444594532 /nfs/dbraw/zinc/59/45/32/444594532.db2.gz QCZYNODCSRKUFQ-AWEZNQCLSA-N 1 2 329.791 1.732 20 30 EDEDLO O=C(C[N@H+]1CCSC[C@H]1CO)NC[C@H]1CCN(c2ccccc2)C1 ZINC000329631155 444656371 /nfs/dbraw/zinc/65/63/71/444656371.db2.gz IFMYGZVDVQTEGA-NVXWUHKLSA-N 1 2 349.500 1.879 20 30 EDEDLO O=C(C[N@@H+]1CCSC[C@H]1CO)NC[C@H]1CCN(c2ccccc2)C1 ZINC000329631155 444656379 /nfs/dbraw/zinc/65/63/79/444656379.db2.gz IFMYGZVDVQTEGA-NVXWUHKLSA-N 1 2 349.500 1.879 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000329641605 444661549 /nfs/dbraw/zinc/66/15/49/444661549.db2.gz XWYREPPQHSYAOC-HBNTYKKESA-N 1 2 346.353 1.674 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000329641605 444661552 /nfs/dbraw/zinc/66/15/52/444661552.db2.gz XWYREPPQHSYAOC-HBNTYKKESA-N 1 2 346.353 1.674 20 30 EDEDLO C[C@H](c1cccc(NC(=O)N2CC(=O)N(C)C2)c1)[NH+]1CCOCC1 ZINC000329666958 444672294 /nfs/dbraw/zinc/67/22/94/444672294.db2.gz LDVZOTUORSNYOQ-CYBMUJFWSA-N 1 2 332.404 1.357 20 30 EDEDLO O=C(N1CCCC1)N1CCC[C@@H]([NH+]=C([O-])N2CCn3c[nH+]cc3C2)C1 ZINC000329668951 444673348 /nfs/dbraw/zinc/67/33/48/444673348.db2.gz RGBIYCKSSHWGCX-CQSZACIVSA-N 1 2 346.435 1.293 20 30 EDEDLO O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CCn2c[nH+]cc2C1 ZINC000329668951 444673352 /nfs/dbraw/zinc/67/33/52/444673352.db2.gz RGBIYCKSSHWGCX-CQSZACIVSA-N 1 2 346.435 1.293 20 30 EDEDLO Cc1cccc2c1OC[C@@H](NC(=O)N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)C2 ZINC000329750804 444702471 /nfs/dbraw/zinc/70/24/71/444702471.db2.gz VFHBCRQCODMOIH-HRCADAONSA-N 1 2 331.416 1.227 20 30 EDEDLO Cc1cccc2c1OC[C@@H](NC(=O)N1C[C@H]3OCC[N@H+](C)[C@H]3C1)C2 ZINC000329750804 444702473 /nfs/dbraw/zinc/70/24/73/444702473.db2.gz VFHBCRQCODMOIH-HRCADAONSA-N 1 2 331.416 1.227 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)NC3CC(C(F)(F)F)C3)CC2)cn1 ZINC000329715064 444689787 /nfs/dbraw/zinc/68/97/87/444689787.db2.gz UJONUXDRBNYVQI-UHFFFAOYSA-N 1 2 345.369 1.793 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCCC3(C)C)ccn2)CC1 ZINC000329842274 444736755 /nfs/dbraw/zinc/73/67/55/444736755.db2.gz NSVFUFKSVHYICW-UHFFFAOYSA-N 1 2 345.447 1.889 20 30 EDEDLO C[C@H](NC(=O)c1cn(C)nc1[C@@H]1CCOC1)[C@H](C)[NH+]1CCOCC1 ZINC000329878219 444750611 /nfs/dbraw/zinc/75/06/11/444750611.db2.gz KJZZPBJREUUZGJ-MELADBBJSA-N 1 2 336.436 1.338 20 30 EDEDLO COc1cnc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000338579668 444754219 /nfs/dbraw/zinc/75/42/19/444754219.db2.gz PTELKHBICFNRBE-UHFFFAOYSA-N 1 2 337.383 1.315 20 30 EDEDLO C[C@@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)n1cnc(C#N)n1 ZINC000341297142 444767115 /nfs/dbraw/zinc/76/71/15/444767115.db2.gz ZGFUTUUTZPLTGI-ZDUSSCGKSA-N 1 2 335.371 1.272 20 30 EDEDLO C[C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)n1cnc(C#N)n1 ZINC000341297071 444767157 /nfs/dbraw/zinc/76/71/57/444767157.db2.gz ZGFUTUUTZPLTGI-CYBMUJFWSA-N 1 2 335.371 1.272 20 30 EDEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000329933570 444775774 /nfs/dbraw/zinc/77/57/74/444775774.db2.gz JHSYPIDMEMDNBY-JKIFEVAISA-N 1 2 336.436 1.621 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(NC(=O)C4CC4)c3)C[C@H]21 ZINC000329990692 444802050 /nfs/dbraw/zinc/80/20/50/444802050.db2.gz WKBMQWXRMXOVGC-HZPDHXFCSA-N 1 2 329.400 1.840 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cccc(NC(=O)C4CC4)c3)C[C@H]21 ZINC000329990692 444802052 /nfs/dbraw/zinc/80/20/52/444802052.db2.gz WKBMQWXRMXOVGC-HZPDHXFCSA-N 1 2 329.400 1.840 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[NH+](C3CCC3)CC2)CCCCC1 ZINC000329998837 444805285 /nfs/dbraw/zinc/80/52/85/444805285.db2.gz SZFAQCYQIZUWPC-UHFFFAOYSA-N 1 2 325.478 1.960 20 30 EDEDLO C[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@@]2(CCOC2)O1 ZINC000329963102 444788632 /nfs/dbraw/zinc/78/86/32/444788632.db2.gz PPYUXPFYTWOBRC-CXAGYDPISA-N 1 2 334.420 1.513 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000329963583 444789553 /nfs/dbraw/zinc/78/95/53/444789553.db2.gz PZHIDWLZDMXSKF-QLFBSQMISA-N 1 2 335.452 1.438 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3C#N)C[C@H]21 ZINC000329965307 444790597 /nfs/dbraw/zinc/79/05/97/444790597.db2.gz QZRROLYWSIXCIA-CABCVRRESA-N 1 2 334.807 1.165 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3C#N)C[C@H]21 ZINC000329965307 444790600 /nfs/dbraw/zinc/79/06/00/444790600.db2.gz QZRROLYWSIXCIA-CABCVRRESA-N 1 2 334.807 1.165 20 30 EDEDLO COc1cccc(Cl)c1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330053971 444826528 /nfs/dbraw/zinc/82/65/28/444826528.db2.gz RFJBDCLONBNRCV-HIFRSBDPSA-N 1 2 339.823 1.777 20 30 EDEDLO COc1cccc(Cl)c1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330053971 444826533 /nfs/dbraw/zinc/82/65/33/444826533.db2.gz RFJBDCLONBNRCV-HIFRSBDPSA-N 1 2 339.823 1.777 20 30 EDEDLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CC[C@@H](N2CCCC2=O)C1 ZINC000330053135 444826690 /nfs/dbraw/zinc/82/66/90/444826690.db2.gz QAIBYALXAABKKF-ZIAGYGMSSA-N 1 2 331.420 1.371 20 30 EDEDLO Cc1nccc(NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)n1 ZINC000330123802 444852406 /nfs/dbraw/zinc/85/24/06/444852406.db2.gz LCXACDVINHNUDA-UHFFFAOYSA-N 1 2 346.435 1.055 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000330171807 444872363 /nfs/dbraw/zinc/87/23/63/444872363.db2.gz FTUINAPXEQKEHW-ZDUSSCGKSA-N 1 2 343.435 1.608 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000330171807 444872366 /nfs/dbraw/zinc/87/23/66/444872366.db2.gz FTUINAPXEQKEHW-ZDUSSCGKSA-N 1 2 343.435 1.608 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)[NH+]=C([O-])N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000330171806 444872860 /nfs/dbraw/zinc/87/28/60/444872860.db2.gz FTUINAPXEQKEHW-CYBMUJFWSA-N 1 2 343.435 1.608 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000330171806 444872863 /nfs/dbraw/zinc/87/28/63/444872863.db2.gz FTUINAPXEQKEHW-CYBMUJFWSA-N 1 2 343.435 1.608 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000330200279 444885504 /nfs/dbraw/zinc/88/55/04/444885504.db2.gz ADDYGDQXWQDTHS-CQSZACIVSA-N 1 2 348.447 1.951 20 30 EDEDLO N#C[C@@]1(F)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000619156898 450419375 /nfs/dbraw/zinc/41/93/75/450419375.db2.gz NFCZTPJMUAFYKV-INIZCTEOSA-N 1 2 334.351 1.869 20 30 EDEDLO Cc1nnsc1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000330259992 444911657 /nfs/dbraw/zinc/91/16/57/444911657.db2.gz NXEGNMWNCQEFFO-CMPLNLGQSA-N 1 2 325.438 1.056 20 30 EDEDLO CCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000330277692 444919108 /nfs/dbraw/zinc/91/91/08/444919108.db2.gz OPMVRRVMIKTIQG-IRXDYDNUSA-N 1 2 333.432 1.557 20 30 EDEDLO CCOc1cccc(CNC(=O)C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000330277692 444919111 /nfs/dbraw/zinc/91/91/11/444919111.db2.gz OPMVRRVMIKTIQG-IRXDYDNUSA-N 1 2 333.432 1.557 20 30 EDEDLO CCOc1cccc(CNC(=O)CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000330277692 444919113 /nfs/dbraw/zinc/91/91/13/444919113.db2.gz OPMVRRVMIKTIQG-IRXDYDNUSA-N 1 2 333.432 1.557 20 30 EDEDLO CCOc1cccc(CNC(=O)CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000330277692 444919118 /nfs/dbraw/zinc/91/91/18/444919118.db2.gz OPMVRRVMIKTIQG-IRXDYDNUSA-N 1 2 333.432 1.557 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1OC ZINC000330346243 444946251 /nfs/dbraw/zinc/94/62/51/444946251.db2.gz GGSBCUQKGHWJOG-JDFRZJQESA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1OC ZINC000330346243 444946256 /nfs/dbraw/zinc/94/62/56/444946256.db2.gz GGSBCUQKGHWJOG-JDFRZJQESA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1OC ZINC000330346243 444946261 /nfs/dbraw/zinc/94/62/61/444946261.db2.gz GGSBCUQKGHWJOG-JDFRZJQESA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1OC ZINC000330346243 444946268 /nfs/dbraw/zinc/94/62/68/444946268.db2.gz GGSBCUQKGHWJOG-JDFRZJQESA-N 1 2 349.431 1.695 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC[C@@H]21 ZINC000330536778 445022929 /nfs/dbraw/zinc/02/29/29/445022929.db2.gz FLPLZEFOJKBHKV-KRXQYRFLSA-N 1 2 349.479 1.510 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC[C@@H]21 ZINC000330536778 445022932 /nfs/dbraw/zinc/02/29/32/445022932.db2.gz FLPLZEFOJKBHKV-KRXQYRFLSA-N 1 2 349.479 1.510 20 30 EDEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000330526020 445018532 /nfs/dbraw/zinc/01/85/32/445018532.db2.gz KSKOVXJMHRZAPB-CABCVRRESA-N 1 2 337.395 1.620 20 30 EDEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000330526020 445018536 /nfs/dbraw/zinc/01/85/36/445018536.db2.gz KSKOVXJMHRZAPB-CABCVRRESA-N 1 2 337.395 1.620 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)N[C@H](C1CC1)C(F)(F)F ZINC000344693998 445131354 /nfs/dbraw/zinc/13/13/54/445131354.db2.gz WYWHYIBQTSKQKS-CYBMUJFWSA-N 1 2 348.369 1.585 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000341992200 445110973 /nfs/dbraw/zinc/11/09/73/445110973.db2.gz OSINYCWHUUEGAS-MRXNPFEDSA-N 1 2 343.427 1.879 20 30 EDEDLO CC[C@H](C#N)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339251237 445116087 /nfs/dbraw/zinc/11/60/87/445116087.db2.gz AXCNXUWBMKPPBV-HIFRSBDPSA-N 1 2 331.420 1.436 20 30 EDEDLO CC[C@H](C#N)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339251237 445116090 /nfs/dbraw/zinc/11/60/90/445116090.db2.gz AXCNXUWBMKPPBV-HIFRSBDPSA-N 1 2 331.420 1.436 20 30 EDEDLO C=CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000339921484 445182660 /nfs/dbraw/zinc/18/26/60/445182660.db2.gz YQZVHNYGYJIANN-INIZCTEOSA-N 1 2 345.424 1.688 20 30 EDEDLO C=CC[C@H](CC)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000346429786 445214847 /nfs/dbraw/zinc/21/48/47/445214847.db2.gz WRNUASQGIWOOKN-UONOGXRCSA-N 1 2 333.436 1.565 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC#Cc1cccc(F)c1 ZINC000346532223 445217976 /nfs/dbraw/zinc/21/79/76/445217976.db2.gz WNLLEOZAGNZDBQ-QAPCUYQASA-N 1 2 345.418 1.682 20 30 EDEDLO CC[C@@H](C)[N@H+](CC(=O)NCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000345677609 445195509 /nfs/dbraw/zinc/19/55/09/445195509.db2.gz ZNMGIMMLMXGCGI-GFCCVEGCSA-N 1 2 327.388 1.576 20 30 EDEDLO CC[C@@H](C)[N@@H+](CC(=O)NCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000345677609 445195513 /nfs/dbraw/zinc/19/55/13/445195513.db2.gz ZNMGIMMLMXGCGI-GFCCVEGCSA-N 1 2 327.388 1.576 20 30 EDEDLO CC[C@H](C)[N@H+](CC(=O)NCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000345677610 445195589 /nfs/dbraw/zinc/19/55/89/445195589.db2.gz ZNMGIMMLMXGCGI-LBPRGKRZSA-N 1 2 327.388 1.576 20 30 EDEDLO CC[C@H](C)[N@@H+](CC(=O)NCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000345677610 445195592 /nfs/dbraw/zinc/19/55/92/445195592.db2.gz ZNMGIMMLMXGCGI-LBPRGKRZSA-N 1 2 327.388 1.576 20 30 EDEDLO Cc1csc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000345681671 445196032 /nfs/dbraw/zinc/19/60/32/445196032.db2.gz FBTMWBSJMOEWDQ-UHFFFAOYSA-N 1 2 336.461 1.459 20 30 EDEDLO CC(C)(C)OC(=O)CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000345685632 445196050 /nfs/dbraw/zinc/19/60/50/445196050.db2.gz UVSRXIAEGLBRSP-UHFFFAOYSA-N 1 2 339.436 1.183 20 30 EDEDLO C=CCNC(=O)C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000346684322 445222852 /nfs/dbraw/zinc/22/28/52/445222852.db2.gz HBBNYLBLGVUFKZ-UHFFFAOYSA-N 1 2 340.214 1.966 20 30 EDEDLO C=CCCCCNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000351690299 445273333 /nfs/dbraw/zinc/27/33/33/445273333.db2.gz DGZIPMQYVLKJAO-MRXNPFEDSA-N 1 2 336.480 1.681 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ncncc3Cl)CC2)cc1 ZINC000348634228 445340515 /nfs/dbraw/zinc/34/05/15/445340515.db2.gz VTGMYTKMLAOYTH-UHFFFAOYSA-N 1 2 341.802 1.960 20 30 EDEDLO CCOC(=O)[C@@H]([NH2+]CCOc1cccc(C#N)c1)C1CCOCC1 ZINC000348775061 445374399 /nfs/dbraw/zinc/37/43/99/445374399.db2.gz LKSORNVUWQQERU-KRWDZBQOSA-N 1 2 332.400 1.885 20 30 EDEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000362581594 445449459 /nfs/dbraw/zinc/44/94/59/445449459.db2.gz RMICLKPDENMKCL-CYBMUJFWSA-N 1 2 330.432 1.409 20 30 EDEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000362581594 445449463 /nfs/dbraw/zinc/44/94/63/445449463.db2.gz RMICLKPDENMKCL-CYBMUJFWSA-N 1 2 330.432 1.409 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000352515906 445534729 /nfs/dbraw/zinc/53/47/29/445534729.db2.gz ITXZPRLLXMFBHQ-IRXDYDNUSA-N 1 2 342.505 1.539 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)C(N)=O)cc1 ZINC000360061632 445550394 /nfs/dbraw/zinc/55/03/94/445550394.db2.gz SNBLWODRYRXTOT-CRAIPNDOSA-N 1 2 334.379 1.480 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000352861868 445560256 /nfs/dbraw/zinc/56/02/56/445560256.db2.gz KPQQBSLAEDRDLF-LSDHHAIUSA-N 1 2 341.477 1.053 20 30 EDEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCC(=O)OC ZINC000352903262 445564229 /nfs/dbraw/zinc/56/42/29/445564229.db2.gz PIOVFBRLICXGQA-AWEZNQCLSA-N 1 2 336.436 1.520 20 30 EDEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCC(=O)OC ZINC000352903262 445564230 /nfs/dbraw/zinc/56/42/30/445564230.db2.gz PIOVFBRLICXGQA-AWEZNQCLSA-N 1 2 336.436 1.520 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@@H+]1CCOC ZINC000357538747 445564813 /nfs/dbraw/zinc/56/48/13/445564813.db2.gz DHPMDIPPKCSQFF-CQSZACIVSA-N 1 2 329.466 1.053 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@H+]1CCOC ZINC000357538747 445564817 /nfs/dbraw/zinc/56/48/17/445564817.db2.gz DHPMDIPPKCSQFF-CQSZACIVSA-N 1 2 329.466 1.053 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[N@@H+]1CCOC ZINC000352935785 445566107 /nfs/dbraw/zinc/56/61/07/445566107.db2.gz IVIGCZRYUREIGZ-OAHLLOKOSA-N 1 2 343.493 1.443 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[N@H+]1CCOC ZINC000352935785 445566110 /nfs/dbraw/zinc/56/61/10/445566110.db2.gz IVIGCZRYUREIGZ-OAHLLOKOSA-N 1 2 343.493 1.443 20 30 EDEDLO C[N@H+](CC(=O)NCc1cccs1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000353158339 445578436 /nfs/dbraw/zinc/57/84/36/445578436.db2.gz OLTSQRNVAPRQEF-INIZCTEOSA-N 1 2 334.445 1.105 20 30 EDEDLO C[N@@H+](CC(=O)NCc1cccs1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000353158339 445578438 /nfs/dbraw/zinc/57/84/38/445578438.db2.gz OLTSQRNVAPRQEF-INIZCTEOSA-N 1 2 334.445 1.105 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000353199481 445579687 /nfs/dbraw/zinc/57/96/87/445579687.db2.gz JBMUCXIPFHYFBR-CQSZACIVSA-N 1 2 338.452 1.111 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)CC(=O)N1CCCCCC1 ZINC000353199481 445579692 /nfs/dbraw/zinc/57/96/92/445579692.db2.gz JBMUCXIPFHYFBR-CQSZACIVSA-N 1 2 338.452 1.111 20 30 EDEDLO N#CCCCC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000360198154 445623747 /nfs/dbraw/zinc/62/37/47/445623747.db2.gz JROTWLZFXSPHSY-UHFFFAOYSA-N 1 2 334.464 1.521 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000362877339 445593402 /nfs/dbraw/zinc/59/34/02/445593402.db2.gz RXTMFROEVZDIHG-ZIAGYGMSSA-N 1 2 333.436 1.538 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)C(C)(C)C ZINC000362877339 445593403 /nfs/dbraw/zinc/59/34/03/445593403.db2.gz RXTMFROEVZDIHG-ZIAGYGMSSA-N 1 2 333.436 1.538 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1)c1ccccc1 ZINC000361408979 445764348 /nfs/dbraw/zinc/76/43/48/445764348.db2.gz RLUYZRBMVPXOHU-AWEZNQCLSA-N 1 2 337.370 1.883 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1)c1ccccc1 ZINC000361408979 445764349 /nfs/dbraw/zinc/76/43/49/445764349.db2.gz RLUYZRBMVPXOHU-AWEZNQCLSA-N 1 2 337.370 1.883 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000350153197 445781631 /nfs/dbraw/zinc/78/16/31/445781631.db2.gz KODIIARYYFZCEM-ZDUSSCGKSA-N 1 2 344.419 1.093 20 30 EDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000350461626 445832801 /nfs/dbraw/zinc/83/28/01/445832801.db2.gz NUCRMDFUMNGGON-GOEBONIOSA-N 1 2 349.456 1.489 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369064413 445905100 /nfs/dbraw/zinc/90/51/00/445905100.db2.gz MRJBZEAUIRRHQA-HOCLYGCPSA-N 1 2 346.475 1.708 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369064413 445905104 /nfs/dbraw/zinc/90/51/04/445905104.db2.gz MRJBZEAUIRRHQA-HOCLYGCPSA-N 1 2 346.475 1.708 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369066355 445907327 /nfs/dbraw/zinc/90/73/27/445907327.db2.gz RBYNJUXXDYGSLG-BBRMVZONSA-N 1 2 340.427 1.876 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369066355 445907332 /nfs/dbraw/zinc/90/73/32/445907332.db2.gz RBYNJUXXDYGSLG-BBRMVZONSA-N 1 2 340.427 1.876 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000372997512 445966710 /nfs/dbraw/zinc/96/67/10/445966710.db2.gz NREJTRBFONOMMT-UHFFFAOYSA-N 1 2 331.401 1.007 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)CCO1 ZINC000364731478 445949677 /nfs/dbraw/zinc/94/96/77/445949677.db2.gz USHNTRALGAMWRV-NVXWUHKLSA-N 1 2 336.395 1.863 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)CCO1 ZINC000364731477 445949978 /nfs/dbraw/zinc/94/99/78/445949978.db2.gz USHNTRALGAMWRV-DOTOQJQBSA-N 1 2 336.395 1.863 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)N1CCc2ccc(C#N)cc21)C1CC1 ZINC000356791059 446022448 /nfs/dbraw/zinc/02/24/48/446022448.db2.gz YGVHQIBWGSVLDG-INIZCTEOSA-N 1 2 349.394 1.448 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cc(OC)ccc2F)CC1 ZINC000361922701 446071198 /nfs/dbraw/zinc/07/11/98/446071198.db2.gz BEXDZZDTLRPAPD-UHFFFAOYSA-N 1 2 348.422 1.718 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C1CC1 ZINC000354366428 446149642 /nfs/dbraw/zinc/14/96/42/446149642.db2.gz OGIDQHYXVDPNBN-CQSZACIVSA-N 1 2 341.346 1.637 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000370445521 446282290 /nfs/dbraw/zinc/28/22/90/446282290.db2.gz VOFZFTFENJNLJV-AWEZNQCLSA-N 1 2 328.351 1.225 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000370445521 446282294 /nfs/dbraw/zinc/28/22/94/446282294.db2.gz VOFZFTFENJNLJV-AWEZNQCLSA-N 1 2 328.351 1.225 20 30 EDEDLO Cn1c[nH+]c2c1CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C2 ZINC000373679498 446300443 /nfs/dbraw/zinc/30/04/43/446300443.db2.gz INGROGCRJZMBLC-UHFFFAOYSA-N 1 2 343.774 1.469 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000366698464 446314696 /nfs/dbraw/zinc/31/46/96/446314696.db2.gz FZYVMCQLRYWVCG-INIZCTEOSA-N 1 2 346.452 1.319 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2nccnc2C)CC1 ZINC000370536840 446322821 /nfs/dbraw/zinc/32/28/21/446322821.db2.gz XSQQJDHLYZSUQO-MRXNPFEDSA-N 1 2 329.448 1.496 20 30 EDEDLO C=CCNc1ncc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000365793065 446346353 /nfs/dbraw/zinc/34/63/53/446346353.db2.gz DHGPLPHIMIFKLH-GFCCVEGCSA-N 1 2 331.445 2.494 20 30 EDEDLO C[C@@H]1CCN(c2cc(S(N)(=O)=O)ccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000376397428 446473813 /nfs/dbraw/zinc/47/38/13/446473813.db2.gz RRLIKFMTZXBDPG-MLGOLLRUSA-N 1 2 345.428 1.490 20 30 EDEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000367217593 446524057 /nfs/dbraw/zinc/52/40/57/446524057.db2.gz NWIZAXSYKAGKNB-KGLIPLIRSA-N 1 2 347.337 1.222 20 30 EDEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000367217593 446524063 /nfs/dbraw/zinc/52/40/63/446524063.db2.gz NWIZAXSYKAGKNB-KGLIPLIRSA-N 1 2 347.337 1.222 20 30 EDEDLO CCN1CCN(C(=O)COc2ccccc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433116645 446533779 /nfs/dbraw/zinc/53/37/79/446533779.db2.gz RZLCEZSISLAWIO-OAHLLOKOSA-N 1 2 339.399 1.566 20 30 EDEDLO N#Cc1cc(Br)ccc1CN1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000376506360 446542181 /nfs/dbraw/zinc/54/21/81/446542181.db2.gz KSIZTBGHOIBEMF-HNNXBMFYSA-N 1 2 336.233 1.837 20 30 EDEDLO N#Cc1cc(Br)ccc1CN1CC[N@H+]2CCOC[C@@H]2C1 ZINC000376506360 446542195 /nfs/dbraw/zinc/54/21/95/446542195.db2.gz KSIZTBGHOIBEMF-HNNXBMFYSA-N 1 2 336.233 1.837 20 30 EDEDLO C#CCCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000367801389 446590834 /nfs/dbraw/zinc/59/08/34/446590834.db2.gz ARZLOLKPIVQRAV-HNNXBMFYSA-N 1 2 335.404 1.981 20 30 EDEDLO C=CCOC[C@@H](NC(=O)c1cc(C)ccc1-n1cc[nH+]c1)C(=O)OC ZINC000435947398 446718252 /nfs/dbraw/zinc/71/82/52/446718252.db2.gz DOQQBKGHVUNWFP-OAHLLOKOSA-N 1 2 343.383 1.655 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000371319641 446771960 /nfs/dbraw/zinc/77/19/60/446771960.db2.gz TYBXZSBFUDBZJW-LLVKDONJSA-N 1 2 334.376 1.609 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000438452697 446792840 /nfs/dbraw/zinc/79/28/40/446792840.db2.gz WLMPYNMKSSQMMU-OAGGEKHMSA-N 1 2 325.453 1.378 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000438452697 446792844 /nfs/dbraw/zinc/79/28/44/446792844.db2.gz WLMPYNMKSSQMMU-OAGGEKHMSA-N 1 2 325.453 1.378 20 30 EDEDLO Cc1ncccc1O[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000375456697 446812355 /nfs/dbraw/zinc/81/23/55/446812355.db2.gz HSEVSMNWVGFTJW-QAPCUYQASA-N 1 2 328.416 1.652 20 30 EDEDLO Cc1ncccc1O[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000375456697 446812360 /nfs/dbraw/zinc/81/23/60/446812360.db2.gz HSEVSMNWVGFTJW-QAPCUYQASA-N 1 2 328.416 1.652 20 30 EDEDLO C=CC[C@H](CC)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000439380900 446814087 /nfs/dbraw/zinc/81/40/87/446814087.db2.gz AGBGPKBTJGIRJW-AWEZNQCLSA-N 1 2 345.447 1.945 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+](CCOc2ccccc2C#N)[C@@H]1C(=O)OC ZINC000441643766 446871433 /nfs/dbraw/zinc/87/14/33/446871433.db2.gz JZWQXSPFKYVYOQ-ZBFHGGJFSA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)[C@@H]1C(=O)OC ZINC000441643766 446871441 /nfs/dbraw/zinc/87/14/41/446871441.db2.gz JZWQXSPFKYVYOQ-ZBFHGGJFSA-N 1 2 346.383 1.364 20 30 EDEDLO CC1(C)C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](CO)O1 ZINC000420936257 446909478 /nfs/dbraw/zinc/90/94/78/446909478.db2.gz KSEIBJBJDNNTSZ-SJORKVTESA-N 1 2 343.427 1.525 20 30 EDEDLO CC1(C)C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](CO)O1 ZINC000420936257 446909479 /nfs/dbraw/zinc/90/94/79/446909479.db2.gz KSEIBJBJDNNTSZ-SJORKVTESA-N 1 2 343.427 1.525 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000375626272 446934178 /nfs/dbraw/zinc/93/41/78/446934178.db2.gz GFXMSERSICDPPR-MRXNPFEDSA-N 1 2 335.429 1.397 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000372026472 446983250 /nfs/dbraw/zinc/98/32/50/446983250.db2.gz QHVKRQRGOLBZHY-GOSISDBHSA-N 1 2 347.438 1.787 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000372026472 446983257 /nfs/dbraw/zinc/98/32/57/446983257.db2.gz QHVKRQRGOLBZHY-GOSISDBHSA-N 1 2 347.438 1.787 20 30 EDEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000443063738 447003739 /nfs/dbraw/zinc/00/37/39/447003739.db2.gz FAPBZUSJFLKUAY-JTQLQIEISA-N 1 2 347.362 1.902 20 30 EDEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000443063738 447003742 /nfs/dbraw/zinc/00/37/42/447003742.db2.gz FAPBZUSJFLKUAY-JTQLQIEISA-N 1 2 347.362 1.902 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)cc1Cl ZINC000443852642 447065355 /nfs/dbraw/zinc/06/53/55/447065355.db2.gz LNCAUIWBKUMPGR-LBPRGKRZSA-N 1 2 330.837 1.768 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)cc1Cl ZINC000443852642 447065358 /nfs/dbraw/zinc/06/53/58/447065358.db2.gz LNCAUIWBKUMPGR-LBPRGKRZSA-N 1 2 330.837 1.768 20 30 EDEDLO C=C(C)CCNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000455309710 447108099 /nfs/dbraw/zinc/10/80/99/447108099.db2.gz LNPZFDTVFYNJDW-INIZCTEOSA-N 1 2 336.480 1.681 20 30 EDEDLO C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000425400492 447145697 /nfs/dbraw/zinc/14/56/97/447145697.db2.gz XZNAPVBVXLVYSN-HUUCEWRRSA-N 1 2 330.432 1.981 20 30 EDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000375928175 447155872 /nfs/dbraw/zinc/15/58/72/447155872.db2.gz QNTACJYLIVNCJW-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000375928175 447155880 /nfs/dbraw/zinc/15/58/80/447155880.db2.gz QNTACJYLIVNCJW-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000444740715 447134985 /nfs/dbraw/zinc/13/49/85/447134985.db2.gz XJLXBVBWXLXZDC-RYRKJORJSA-N 1 2 349.427 1.153 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000444740715 447134991 /nfs/dbraw/zinc/13/49/91/447134991.db2.gz XJLXBVBWXLXZDC-RYRKJORJSA-N 1 2 349.427 1.153 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000425487745 447187327 /nfs/dbraw/zinc/18/73/27/447187327.db2.gz MJJYVAYESAAJEQ-QWRGUYRKSA-N 1 2 338.433 1.588 20 30 EDEDLO Cc1cc(S(=O)(=O)NC[C@H]2CCn3cc[nH+]c3C2)ccc1C#N ZINC000368916239 447200357 /nfs/dbraw/zinc/20/03/57/447200357.db2.gz XZUGBRJCNNEOGG-ZDUSSCGKSA-N 1 2 330.413 1.604 20 30 EDEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000368870896 447168956 /nfs/dbraw/zinc/16/89/56/447168956.db2.gz UXMYGLPZKYFJPU-CRAIPNDOSA-N 1 2 348.447 1.937 20 30 EDEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000368870896 447168962 /nfs/dbraw/zinc/16/89/62/447168962.db2.gz UXMYGLPZKYFJPU-CRAIPNDOSA-N 1 2 348.447 1.937 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1nc(C2CC2)no1 ZINC000425538940 447217531 /nfs/dbraw/zinc/21/75/31/447217531.db2.gz SWFPTZLUWZJJMU-NSHDSACASA-N 1 2 325.372 1.872 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1nc(C2CC2)no1 ZINC000425538940 447217541 /nfs/dbraw/zinc/21/75/41/447217541.db2.gz SWFPTZLUWZJJMU-NSHDSACASA-N 1 2 325.372 1.872 20 30 EDEDLO Cc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)c(C(=O)NCC(C)C)c1 ZINC000414118486 447276561 /nfs/dbraw/zinc/27/65/61/447276561.db2.gz AUVFCWLFDWTTOZ-MRXNPFEDSA-N 1 2 347.459 1.966 20 30 EDEDLO Cc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)c(C(=O)NCC(C)C)c1 ZINC000414118486 447276566 /nfs/dbraw/zinc/27/65/66/447276566.db2.gz AUVFCWLFDWTTOZ-MRXNPFEDSA-N 1 2 347.459 1.966 20 30 EDEDLO C[C@H]1CC(=O)NCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000372823667 447302617 /nfs/dbraw/zinc/30/26/17/447302617.db2.gz MFAMGXYVMCHMBP-ZDUSSCGKSA-N 1 2 348.834 1.797 20 30 EDEDLO C[C@H]1CC(=O)NCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000372823667 447302626 /nfs/dbraw/zinc/30/26/26/447302626.db2.gz MFAMGXYVMCHMBP-ZDUSSCGKSA-N 1 2 348.834 1.797 20 30 EDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000459468895 447677563 /nfs/dbraw/zinc/67/75/63/447677563.db2.gz SCIZIHUOLWSTGU-GXFFZTMASA-N 1 2 345.794 1.536 20 30 EDEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000496151258 447729535 /nfs/dbraw/zinc/72/95/35/447729535.db2.gz ZJDJGCIKCDKQDL-AWEZNQCLSA-N 1 2 328.376 1.264 20 30 EDEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000496151258 447729540 /nfs/dbraw/zinc/72/95/40/447729540.db2.gz ZJDJGCIKCDKQDL-AWEZNQCLSA-N 1 2 328.376 1.264 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430210166 447766405 /nfs/dbraw/zinc/76/64/05/447766405.db2.gz CKNKPHITPVYOKC-UHFFFAOYSA-N 1 2 348.403 1.023 20 30 EDEDLO Cc1noc([C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)C2CCOCC2)n1 ZINC000431639173 447811049 /nfs/dbraw/zinc/81/10/49/447811049.db2.gz KGDBBLOJKYWFJN-FZMZJTMJSA-N 1 2 335.408 1.196 20 30 EDEDLO C=CCn1cc(CNC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)nn1 ZINC000570157377 447954789 /nfs/dbraw/zinc/95/47/89/447954789.db2.gz BVVAUUAXWZVLHR-CYBMUJFWSA-N 1 2 329.408 1.490 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CCCOCC)CC1 ZINC000491118529 447928446 /nfs/dbraw/zinc/92/84/46/447928446.db2.gz DZJRDPGCYSWFIE-MRXNPFEDSA-N 1 2 333.480 1.973 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000491566252 448059076 /nfs/dbraw/zinc/05/90/76/448059076.db2.gz FMNRVZVYZBIYGB-INIZCTEOSA-N 1 2 334.464 1.032 20 30 EDEDLO Cc1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1-c1ccc(F)cc1 ZINC000570876563 448079198 /nfs/dbraw/zinc/07/91/98/448079198.db2.gz VOSDUPJHOHFHAW-MRXNPFEDSA-N 1 2 330.367 1.289 20 30 EDEDLO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000496974895 448087233 /nfs/dbraw/zinc/08/72/33/448087233.db2.gz PCJXTZWVZJEENQ-WBMJQRKESA-N 1 2 326.441 1.449 20 30 EDEDLO C[NH+]1CCN(CCCCNc2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000555960105 448099935 /nfs/dbraw/zinc/09/99/35/448099935.db2.gz DUUMAMXTLTXOHY-UHFFFAOYSA-N 1 2 341.381 2.412 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)C1CC1 ZINC000491747209 448102349 /nfs/dbraw/zinc/10/23/49/448102349.db2.gz MXYAJHBVPMETKI-UHFFFAOYSA-N 1 2 331.441 1.130 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)C1CC1 ZINC000491747209 448102351 /nfs/dbraw/zinc/10/23/51/448102351.db2.gz MXYAJHBVPMETKI-UHFFFAOYSA-N 1 2 331.441 1.130 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(-c3ncco3)c2C)CC1 ZINC000491789400 448124345 /nfs/dbraw/zinc/12/43/45/448124345.db2.gz UTWXHVVEQYDNPI-UHFFFAOYSA-N 1 2 338.411 1.839 20 30 EDEDLO COCC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H]1CCO[C@@H]1C ZINC000571949360 448242479 /nfs/dbraw/zinc/24/24/79/448242479.db2.gz CZHCKQHADIIMTB-CXAGYDPISA-N 1 2 332.400 1.971 20 30 EDEDLO COCC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H]1CCO[C@@H]1C ZINC000571949360 448242481 /nfs/dbraw/zinc/24/24/81/448242481.db2.gz CZHCKQHADIIMTB-CXAGYDPISA-N 1 2 332.400 1.971 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1C#N ZINC000591054804 448246011 /nfs/dbraw/zinc/24/60/11/448246011.db2.gz CRVGTKBFCLRBKH-KSSFIOAISA-N 1 2 326.400 1.228 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1C#N ZINC000591054804 448246019 /nfs/dbraw/zinc/24/60/19/448246019.db2.gz CRVGTKBFCLRBKH-KSSFIOAISA-N 1 2 326.400 1.228 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)c1C#N ZINC000492774890 448286927 /nfs/dbraw/zinc/28/69/27/448286927.db2.gz WCMIKCLTZTZSCI-UHFFFAOYSA-N 1 2 348.451 1.247 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000563220224 448291500 /nfs/dbraw/zinc/29/15/00/448291500.db2.gz HZZHWHYPHHIZAR-QGZVFWFLSA-N 1 2 332.379 1.526 20 30 EDEDLO COc1cn(-c2ccccc2)nc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000564870655 448343614 /nfs/dbraw/zinc/34/36/14/448343614.db2.gz BKUPQIFOJJZZLQ-QGZVFWFLSA-N 1 2 327.388 1.455 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000577651319 448352609 /nfs/dbraw/zinc/35/26/09/448352609.db2.gz GJCQDPKZGPKMSD-CQSZACIVSA-N 1 2 349.456 1.432 20 30 EDEDLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000577651319 448352614 /nfs/dbraw/zinc/35/26/14/448352614.db2.gz GJCQDPKZGPKMSD-CQSZACIVSA-N 1 2 349.456 1.432 20 30 EDEDLO Cc1cc(F)ccc1-n1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1 ZINC000565052189 448353180 /nfs/dbraw/zinc/35/31/80/448353180.db2.gz VYAQMTZJIOHDOX-INIZCTEOSA-N 1 2 330.367 1.289 20 30 EDEDLO C=CCn1cc(CNC(=O)NCc2cn3c(cccc3C)[nH+]2)nn1 ZINC000566140181 448394373 /nfs/dbraw/zinc/39/43/73/448394373.db2.gz ZZZGRCKEWWNXEK-UHFFFAOYSA-N 1 2 325.376 1.420 20 30 EDEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cnc3c(C#N)cnn3c1)C[C@H](C)O2 ZINC000566243529 448427424 /nfs/dbraw/zinc/42/74/24/448427424.db2.gz WETIAPLRJNXNTF-QWQRMKEZSA-N 1 2 341.415 1.759 20 30 EDEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cnc3c(C#N)cnn3c1)C[C@H](C)O2 ZINC000566243529 448427432 /nfs/dbraw/zinc/42/74/32/448427432.db2.gz WETIAPLRJNXNTF-QWQRMKEZSA-N 1 2 341.415 1.759 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000566428588 448467389 /nfs/dbraw/zinc/46/73/89/448467389.db2.gz HKCLUFHAMCWJRS-HNNXBMFYSA-N 1 2 328.416 1.477 20 30 EDEDLO CC(=O)N1CCCc2cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc21 ZINC000591773828 448488582 /nfs/dbraw/zinc/48/85/82/448488582.db2.gz DSTXNBOJINYFMA-QGZVFWFLSA-N 1 2 330.432 1.604 20 30 EDEDLO CC(=O)N1CCCc2cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc21 ZINC000591773828 448488585 /nfs/dbraw/zinc/48/85/85/448488585.db2.gz DSTXNBOJINYFMA-QGZVFWFLSA-N 1 2 330.432 1.604 20 30 EDEDLO COC(=O)c1ccc(N2CCN(c3cc[nH+]c(C)n3)CC2)c(C#N)n1 ZINC000566483653 448489095 /nfs/dbraw/zinc/48/90/95/448489095.db2.gz FVGQYOMIHMUEES-UHFFFAOYSA-N 1 2 338.371 1.165 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000516905536 448492285 /nfs/dbraw/zinc/49/22/85/448492285.db2.gz CCMNFLZYCIWHMY-UHFFFAOYSA-N 1 2 339.403 1.854 20 30 EDEDLO Cc1cc(NCc2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c[nH+]1 ZINC000591819958 448497665 /nfs/dbraw/zinc/49/76/65/448497665.db2.gz YDQRHZJWUQAGNI-UHFFFAOYSA-N 1 2 330.413 1.692 20 30 EDEDLO N#CC[C@]1(O)CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000591928606 448586182 /nfs/dbraw/zinc/58/61/82/448586182.db2.gz RWNWZZPTELGMJX-KRWDZBQOSA-N 1 2 325.372 1.432 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@@H]21 ZINC000567228740 448642612 /nfs/dbraw/zinc/64/26/12/448642612.db2.gz SVZZGKBNMNYFFX-GJZGRUSLSA-N 1 2 334.807 1.953 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@@H]21 ZINC000567228740 448642616 /nfs/dbraw/zinc/64/26/16/448642616.db2.gz SVZZGKBNMNYFFX-GJZGRUSLSA-N 1 2 334.807 1.953 20 30 EDEDLO Cc1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(C)c[nH+]1 ZINC000540954346 448656886 /nfs/dbraw/zinc/65/68/86/448656886.db2.gz CTQGAJWMQWMGGO-UHFFFAOYSA-N 1 2 327.392 1.394 20 30 EDEDLO COc1ccc([C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)NC(C)=O)cc1 ZINC000579013826 448696737 /nfs/dbraw/zinc/69/67/37/448696737.db2.gz INCGGDQJKDEPNV-SJLPKXTDSA-N 1 2 346.431 1.223 20 30 EDEDLO Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592146185 448705512 /nfs/dbraw/zinc/70/55/12/448705512.db2.gz FRSBWAKWQSTDQL-KRWDZBQOSA-N 1 2 333.457 1.554 20 30 EDEDLO Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592146185 448705519 /nfs/dbraw/zinc/70/55/19/448705519.db2.gz FRSBWAKWQSTDQL-KRWDZBQOSA-N 1 2 333.457 1.554 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146492 448706002 /nfs/dbraw/zinc/70/60/02/448706002.db2.gz CLGYLHOVXRLSIO-SJKOYZFVSA-N 1 2 333.388 1.381 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146492 448706005 /nfs/dbraw/zinc/70/60/05/448706005.db2.gz CLGYLHOVXRLSIO-SJKOYZFVSA-N 1 2 333.388 1.381 20 30 EDEDLO COc1ccc([C@@H](NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)C2CC2)cc1 ZINC000592146723 448706011 /nfs/dbraw/zinc/70/60/11/448706011.db2.gz KDPMCBIYZQMAKO-OALUTQOASA-N 1 2 343.427 1.613 20 30 EDEDLO COc1ccc([C@@H](NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)C2CC2)cc1 ZINC000592146723 448706013 /nfs/dbraw/zinc/70/60/13/448706013.db2.gz KDPMCBIYZQMAKO-OALUTQOASA-N 1 2 343.427 1.613 20 30 EDEDLO CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592148722 448709310 /nfs/dbraw/zinc/70/93/10/448709310.db2.gz AAAXHWYZIJTKGR-IBGZPJMESA-N 1 2 345.443 1.578 20 30 EDEDLO CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592148722 448709313 /nfs/dbraw/zinc/70/93/13/448709313.db2.gz AAAXHWYZIJTKGR-IBGZPJMESA-N 1 2 345.443 1.578 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000573881931 448735209 /nfs/dbraw/zinc/73/52/09/448735209.db2.gz AKMYIQGRJVVIFG-GJZGRUSLSA-N 1 2 325.453 1.378 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000573881931 448735211 /nfs/dbraw/zinc/73/52/11/448735211.db2.gz AKMYIQGRJVVIFG-GJZGRUSLSA-N 1 2 325.453 1.378 20 30 EDEDLO C[C@@H](NC(=O)C(=O)NCCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000585683024 448738526 /nfs/dbraw/zinc/73/85/26/448738526.db2.gz CRNDLJCFWMSXMG-CYBMUJFWSA-N 1 2 325.372 1.138 20 30 EDEDLO C=CC1CCN(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000543979752 448751789 /nfs/dbraw/zinc/75/17/89/448751789.db2.gz RXVQXNYFRSZBOE-OAHLLOKOSA-N 1 2 345.447 1.519 20 30 EDEDLO C=CCn1c(-c2scnc2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000579473839 448803953 /nfs/dbraw/zinc/80/39/53/448803953.db2.gz PRLXIEYOJPZFDV-UHFFFAOYSA-N 1 2 348.476 1.664 20 30 EDEDLO N#Cc1ccc(OCC[N@@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cc1 ZINC000585800304 448781976 /nfs/dbraw/zinc/78/19/76/448781976.db2.gz VTYSQVLMEPPQKJ-WBVHZDCISA-N 1 2 347.390 1.208 20 30 EDEDLO N#Cc1ccc(OCC[N@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cc1 ZINC000585800304 448781982 /nfs/dbraw/zinc/78/19/82/448781982.db2.gz VTYSQVLMEPPQKJ-WBVHZDCISA-N 1 2 347.390 1.208 20 30 EDEDLO CC1(C)C[S@@](=O)CC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000585816615 448790719 /nfs/dbraw/zinc/79/07/19/448790719.db2.gz YBMADWDVXCABOO-WNSKOXEYSA-N 1 2 336.457 1.335 20 30 EDEDLO CC1(C)C[S@@](=O)CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000585816615 448790721 /nfs/dbraw/zinc/79/07/21/448790721.db2.gz YBMADWDVXCABOO-WNSKOXEYSA-N 1 2 336.457 1.335 20 30 EDEDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@H](C)c1cccc(C#N)c1)CC2 ZINC000587741003 448845966 /nfs/dbraw/zinc/84/59/66/448845966.db2.gz OBALSDOYOKYTFU-CYBMUJFWSA-N 1 2 337.383 1.283 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)C1=O ZINC000546664878 448837758 /nfs/dbraw/zinc/83/77/58/448837758.db2.gz VMFFEMWHAIPNSH-OAHLLOKOSA-N 1 2 326.400 1.431 20 30 EDEDLO C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000574288430 448837773 /nfs/dbraw/zinc/83/77/73/448837773.db2.gz NIPKVUSPWDWKGS-OAHLLOKOSA-N 1 2 328.416 1.091 20 30 EDEDLO C[C@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(C#N)c1 ZINC000587688426 448841036 /nfs/dbraw/zinc/84/10/36/448841036.db2.gz FEBPDFHRGACUCR-ZDUSSCGKSA-N 1 2 347.378 1.700 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNc1ccc(C#N)cc1 ZINC000587971390 448848605 /nfs/dbraw/zinc/84/86/05/448848605.db2.gz ISJRTKHPRYOLAT-YOEHRIQHSA-N 1 2 328.416 1.292 20 30 EDEDLO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(C(=O)CC#N)CC2)c1C ZINC000568408413 448868481 /nfs/dbraw/zinc/86/84/81/448868481.db2.gz MIPMRHNEESEODI-KRWDZBQOSA-N 1 2 345.443 1.409 20 30 EDEDLO COCCOc1cc2c(cc1C[N@@H+]1CC[C@@](O)(CC#N)C1)OCO2 ZINC000592522390 448875487 /nfs/dbraw/zinc/87/54/87/448875487.db2.gz MYPJWQZFYDXRHP-KRWDZBQOSA-N 1 2 334.372 1.291 20 30 EDEDLO COCCOc1cc2c(cc1C[N@H+]1CC[C@@](O)(CC#N)C1)OCO2 ZINC000592522390 448875492 /nfs/dbraw/zinc/87/54/92/448875492.db2.gz MYPJWQZFYDXRHP-KRWDZBQOSA-N 1 2 334.372 1.291 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@]2(CCCOC2)O1 ZINC000574519039 448893162 /nfs/dbraw/zinc/89/31/62/448893162.db2.gz AZNWIWLOUBUSMF-SUMWQHHRSA-N 1 2 327.388 1.371 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@]2(CCCOC2)O1 ZINC000574519039 448893167 /nfs/dbraw/zinc/89/31/67/448893167.db2.gz AZNWIWLOUBUSMF-SUMWQHHRSA-N 1 2 327.388 1.371 20 30 EDEDLO Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000520412876 448895454 /nfs/dbraw/zinc/89/54/54/448895454.db2.gz DMMVBHGEVVKEOB-OAHLLOKOSA-N 1 2 332.433 1.426 20 30 EDEDLO Cc1c(CC(=O)N[C@](C)(C#N)C[NH+](C)C)nnn1-c1ccc(C)cc1 ZINC000580333477 448945604 /nfs/dbraw/zinc/94/56/04/448945604.db2.gz UUFNXSHWFOCHND-GOSISDBHSA-N 1 2 340.431 1.387 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000521865999 449020032 /nfs/dbraw/zinc/02/00/32/449020032.db2.gz SWLYWWZADXZSPI-LBPRGKRZSA-N 1 2 342.428 1.848 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000521865999 449020040 /nfs/dbraw/zinc/02/00/40/449020040.db2.gz SWLYWWZADXZSPI-LBPRGKRZSA-N 1 2 342.428 1.848 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522267228 449070655 /nfs/dbraw/zinc/07/06/55/449070655.db2.gz FPZRFYLCWJACOB-AWEZNQCLSA-N 1 2 347.463 1.183 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522267228 449070658 /nfs/dbraw/zinc/07/06/58/449070658.db2.gz FPZRFYLCWJACOB-AWEZNQCLSA-N 1 2 347.463 1.183 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000592922716 449059005 /nfs/dbraw/zinc/05/90/05/449059005.db2.gz CPMREMXNGQKBNZ-AWEZNQCLSA-N 1 2 331.441 1.766 20 30 EDEDLO C[C@@H](CO)C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000593081380 449125929 /nfs/dbraw/zinc/12/59/29/449125929.db2.gz CRAZVVASLIHFQB-AWEZNQCLSA-N 1 2 336.457 1.672 20 30 EDEDLO N#Cc1ccc(CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000597889845 449134915 /nfs/dbraw/zinc/13/49/15/449134915.db2.gz OHVFAWUUKLRAHN-GOSISDBHSA-N 1 2 327.428 1.860 20 30 EDEDLO N#Cc1ccc(CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000597889845 449134920 /nfs/dbraw/zinc/13/49/20/449134920.db2.gz OHVFAWUUKLRAHN-GOSISDBHSA-N 1 2 327.428 1.860 20 30 EDEDLO N#Cc1sccc1N1CC[NH+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000595632650 449090545 /nfs/dbraw/zinc/09/05/45/449090545.db2.gz ZXFQGWLSJYAXID-CYBMUJFWSA-N 1 2 339.486 1.567 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597952675 449157004 /nfs/dbraw/zinc/15/70/04/449157004.db2.gz RGYHDRSRYLTUQA-UHFFFAOYSA-N 1 2 330.432 1.366 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597952675 449157007 /nfs/dbraw/zinc/15/70/07/449157007.db2.gz RGYHDRSRYLTUQA-UHFFFAOYSA-N 1 2 330.432 1.366 20 30 EDEDLO C[NH+]1CCN(c2ccnc(NC(=O)c3ccc(C#N)c(O)c3)c2)CC1 ZINC000601804151 449162651 /nfs/dbraw/zinc/16/26/51/449162651.db2.gz JEQVASFSQUCGLO-UHFFFAOYSA-N 1 2 337.383 1.663 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(C#N)c1C ZINC000595738456 449140223 /nfs/dbraw/zinc/14/02/23/449140223.db2.gz ILXDBADQYDTMRX-NJZAAPMLSA-N 1 2 344.415 1.696 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(C#N)c1C ZINC000595738456 449140226 /nfs/dbraw/zinc/14/02/26/449140226.db2.gz ILXDBADQYDTMRX-NJZAAPMLSA-N 1 2 344.415 1.696 20 30 EDEDLO Cc1cc(N2CCC[C@](C)(O)C2)c(C#N)c(N2CCC[C@@](C)(O)C2)[nH+]1 ZINC000590582766 449201530 /nfs/dbraw/zinc/20/15/30/449201530.db2.gz UPCWKLGNTYRHPZ-RBUKOAKNSA-N 1 2 344.459 1.964 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1[nH+]ccn1C ZINC000595845438 449201647 /nfs/dbraw/zinc/20/16/47/449201647.db2.gz OALRRKQDNRZGEX-JSGCOSHPSA-N 1 2 340.387 1.611 20 30 EDEDLO N#C[C@@]1(C(=O)N2CC[NH+](CCc3cnccn3)CC2)CC12CCCC2 ZINC000601887619 449205786 /nfs/dbraw/zinc/20/57/86/449205786.db2.gz GIGILJWGPLERAQ-LJQANCHMSA-N 1 2 339.443 1.637 20 30 EDEDLO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000600144818 449212826 /nfs/dbraw/zinc/21/28/26/449212826.db2.gz OBGDPNFFMCBVTQ-WBMJQRKESA-N 1 2 349.394 1.988 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000590600350 449213512 /nfs/dbraw/zinc/21/35/12/449213512.db2.gz USUOMHVXNSCAHL-UHFFFAOYSA-N 1 2 347.382 1.395 20 30 EDEDLO CCn1cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 ZINC000611259736 449242003 /nfs/dbraw/zinc/24/20/03/449242003.db2.gz DKBADMNMTBMKNS-UHFFFAOYSA-N 1 2 326.404 1.962 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000601968307 449251114 /nfs/dbraw/zinc/25/11/14/449251114.db2.gz KBMANQRGSRACGZ-CQSZACIVSA-N 1 2 346.431 1.662 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000601968307 449251120 /nfs/dbraw/zinc/25/11/20/449251120.db2.gz KBMANQRGSRACGZ-CQSZACIVSA-N 1 2 346.431 1.662 20 30 EDEDLO CC[C@@H](C#N)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000593418417 449273996 /nfs/dbraw/zinc/27/39/96/449273996.db2.gz FZJYHONYLBJFGL-INIZCTEOSA-N 1 2 331.416 1.564 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000593886261 449264121 /nfs/dbraw/zinc/26/41/21/449264121.db2.gz GWWZABRVGYRWPK-UHFFFAOYSA-N 1 2 345.443 1.298 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000602030658 449286960 /nfs/dbraw/zinc/28/69/60/449286960.db2.gz TVMZPHIOFQFVIY-LBPRGKRZSA-N 1 2 341.346 1.385 20 30 EDEDLO COc1ccc(CCN2C(=O)C[C@H]([N@@H+]3CC[C@@](C)(C#N)C3)C2=O)cc1 ZINC000596014988 449316901 /nfs/dbraw/zinc/31/69/01/449316901.db2.gz XZXSSTHWZJCALN-LPHOPBHVSA-N 1 2 341.411 1.601 20 30 EDEDLO COc1ccc(CCN2C(=O)C[C@H]([N@H+]3CC[C@@](C)(C#N)C3)C2=O)cc1 ZINC000596014988 449316907 /nfs/dbraw/zinc/31/69/07/449316907.db2.gz XZXSSTHWZJCALN-LPHOPBHVSA-N 1 2 341.411 1.601 20 30 EDEDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccsc2C#N)C[C@H](C)O1 ZINC000593526882 449324916 /nfs/dbraw/zinc/32/49/16/449324916.db2.gz LJJDHLGZBAFIOU-TXEJJXNPSA-N 1 2 343.474 1.397 20 30 EDEDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccsc2C#N)C[C@H](C)O1 ZINC000593526882 449324926 /nfs/dbraw/zinc/32/49/26/449324926.db2.gz LJJDHLGZBAFIOU-TXEJJXNPSA-N 1 2 343.474 1.397 20 30 EDEDLO COC[C@]1(CO)CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000590763309 449283499 /nfs/dbraw/zinc/28/34/99/449283499.db2.gz NNCQDIPFZVFAKR-LJQANCHMSA-N 1 2 340.427 1.883 20 30 EDEDLO COC[C@]1(CO)CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000590763309 449283511 /nfs/dbraw/zinc/28/35/11/449283511.db2.gz NNCQDIPFZVFAKR-LJQANCHMSA-N 1 2 340.427 1.883 20 30 EDEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)cnn3)CC2)cc1F ZINC000596060034 449341747 /nfs/dbraw/zinc/34/17/47/449341747.db2.gz XZYICIQOUPRWAR-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO N#CCc1cccc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000598343057 449358098 /nfs/dbraw/zinc/35/80/98/449358098.db2.gz PYYPBYGGTDZGJU-UHFFFAOYSA-N 1 2 327.428 1.937 20 30 EDEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cc(C#N)cnn3)CC2)C1 ZINC000596119129 449372130 /nfs/dbraw/zinc/37/21/30/449372130.db2.gz JZWMOYNZQQMTHS-ZBFHGGJFSA-N 1 2 342.447 1.165 20 30 EDEDLO CN1CCC[C@@H]([NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1=O ZINC000611551756 449333993 /nfs/dbraw/zinc/33/39/93/449333993.db2.gz SWRJPISJNUUUPM-SJORKVTESA-N 1 2 330.407 1.629 20 30 EDEDLO COc1ccc([C@H](CNc2cc(C#N)cnn2)[NH+]2CCOCC2)cc1 ZINC000596054435 449338602 /nfs/dbraw/zinc/33/86/02/449338602.db2.gz MXAZHSWJVIWVSA-KRWDZBQOSA-N 1 2 339.399 1.842 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594282341 449427748 /nfs/dbraw/zinc/42/77/48/449427748.db2.gz OLFCKEJYQZOYMR-HZPDHXFCSA-N 1 2 328.460 1.489 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC000594219763 449394982 /nfs/dbraw/zinc/39/49/82/449394982.db2.gz JSERIFKFCSUNJT-KRWDZBQOSA-N 1 2 341.459 1.482 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC000594219763 449394986 /nfs/dbraw/zinc/39/49/86/449394986.db2.gz JSERIFKFCSUNJT-KRWDZBQOSA-N 1 2 341.459 1.482 20 30 EDEDLO N#CC1(C[C@H](O)C[NH2+]Cc2ncn(-c3ccccc3)n2)CCOCC1 ZINC000600740423 449526943 /nfs/dbraw/zinc/52/69/43/449526943.db2.gz VEEJPAXGDWGDEL-INIZCTEOSA-N 1 2 341.415 1.428 20 30 EDEDLO CCOCc1nc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2C#N)no1 ZINC000600741907 449528381 /nfs/dbraw/zinc/52/83/81/449528381.db2.gz RRIAISJIGSPCJK-GXTWGEPZSA-N 1 2 346.387 1.568 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000602332010 449521386 /nfs/dbraw/zinc/52/13/86/449521386.db2.gz IZEWEUKVIWEWSA-QAPCUYQASA-N 1 2 328.416 1.109 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000602333774 449522400 /nfs/dbraw/zinc/52/24/00/449522400.db2.gz PMKTXJZGZGKIOD-AWEZNQCLSA-N 1 2 343.353 1.812 20 30 EDEDLO C[N@H+](CC1=CCCOC1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000594659579 449613166 /nfs/dbraw/zinc/61/31/66/449613166.db2.gz FXLCFPNYEGYBEZ-MRXNPFEDSA-N 1 2 325.368 1.469 20 30 EDEDLO C[N@@H+](CC1=CCCOC1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000594659579 449613168 /nfs/dbraw/zinc/61/31/68/449613168.db2.gz FXLCFPNYEGYBEZ-MRXNPFEDSA-N 1 2 325.368 1.469 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)on1 ZINC000602615411 449707000 /nfs/dbraw/zinc/70/70/00/449707000.db2.gz GSANKOXQPOWMPZ-UHFFFAOYSA-N 1 2 327.344 1.050 20 30 EDEDLO CCn1cc[nH+]c1CN1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1 ZINC000601151118 449718844 /nfs/dbraw/zinc/71/88/44/449718844.db2.gz PIZJNSULDITXAF-UHFFFAOYSA-N 1 2 327.432 1.631 20 30 EDEDLO Cc1ccn2cnc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)c2c1 ZINC000597023007 449772231 /nfs/dbraw/zinc/77/22/31/449772231.db2.gz RSELPSRAARYXEA-UHFFFAOYSA-N 1 2 341.415 1.331 20 30 EDEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602851979 449858973 /nfs/dbraw/zinc/85/89/73/449858973.db2.gz ZJCUFEBTHWENDP-CHWSQXEVSA-N 1 2 346.387 1.800 20 30 EDEDLO COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856165 449863712 /nfs/dbraw/zinc/86/37/12/449863712.db2.gz JDIPISSNOXXKIQ-OWCLPIDISA-N 1 2 344.459 1.618 20 30 EDEDLO COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856165 449863715 /nfs/dbraw/zinc/86/37/15/449863715.db2.gz JDIPISSNOXXKIQ-OWCLPIDISA-N 1 2 344.459 1.618 20 30 EDEDLO COc1ccccc1CN(C)C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856556 449864941 /nfs/dbraw/zinc/86/49/41/449864941.db2.gz KQFIDMFMXKDFGM-HOTGVXAUSA-N 1 2 344.459 1.572 20 30 EDEDLO COCc1ccc(CNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602860012 449869482 /nfs/dbraw/zinc/86/94/82/449869482.db2.gz HRZHWIBVQMUCAU-HZPDHXFCSA-N 1 2 344.459 1.367 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602865638 449875421 /nfs/dbraw/zinc/87/54/21/449875421.db2.gz UKIYUXJBRFNJGE-RBSFLKMASA-N 1 2 325.416 1.803 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000595124838 449884447 /nfs/dbraw/zinc/88/44/47/449884447.db2.gz FYSVXBGLHWCDFK-KBPBESRZSA-N 1 2 344.415 1.031 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000595124838 449884449 /nfs/dbraw/zinc/88/44/49/449884449.db2.gz FYSVXBGLHWCDFK-KBPBESRZSA-N 1 2 344.415 1.031 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CCN1Cc1ccccc1 ZINC000597241802 449890967 /nfs/dbraw/zinc/89/09/67/449890967.db2.gz HUADYNDKNVACNR-IAGOWNOFSA-N 1 2 349.438 1.751 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CCN1Cc1ccccc1 ZINC000597241802 449890970 /nfs/dbraw/zinc/89/09/70/449890970.db2.gz HUADYNDKNVACNR-IAGOWNOFSA-N 1 2 349.438 1.751 20 30 EDEDLO N#CCC(=O)N1CC[NH+](CCc2cccc3c2OC(F)(F)O3)CC1 ZINC000602843585 449849529 /nfs/dbraw/zinc/84/95/29/449849529.db2.gz XVKOTJRFMDVFSR-UHFFFAOYSA-N 1 2 337.326 1.608 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNS(=O)(=O)CCCC#N)cc1 ZINC000599408647 449953328 /nfs/dbraw/zinc/95/33/28/449953328.db2.gz AFBZNBUERMKAIK-OAHLLOKOSA-N 1 2 337.445 1.493 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNS(=O)(=O)CCCC#N)cc1 ZINC000599408647 449953331 /nfs/dbraw/zinc/95/33/31/449953331.db2.gz AFBZNBUERMKAIK-OAHLLOKOSA-N 1 2 337.445 1.493 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609178158 449973519 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ZINC000761805584 580062005 /nfs/dbraw/zinc/06/20/05/580062005.db2.gz GJDCBLDUOLGWLX-BQYQJAHWSA-N 1 2 336.351 1.627 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2csc(-c3ncccn3)n2)CC1 ZINC000744364599 579508552 /nfs/dbraw/zinc/50/85/52/579508552.db2.gz ROGUSDJNGSFDCO-UHFFFAOYSA-N 1 2 327.413 1.381 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 ZINC000744591289 579516368 /nfs/dbraw/zinc/51/63/68/579516368.db2.gz AUOSFQWDQSEQHV-INIZCTEOSA-N 1 2 340.427 1.815 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 ZINC000744591289 579516369 /nfs/dbraw/zinc/51/63/69/579516369.db2.gz AUOSFQWDQSEQHV-INIZCTEOSA-N 1 2 340.427 1.815 20 30 EDEDLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000745079178 579536637 /nfs/dbraw/zinc/53/66/37/579536637.db2.gz IXRSLJQIXGSLDB-HOTGVXAUSA-N 1 2 327.384 1.691 20 30 EDEDLO C[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000745079178 579536638 /nfs/dbraw/zinc/53/66/38/579536638.db2.gz IXRSLJQIXGSLDB-HOTGVXAUSA-N 1 2 327.384 1.691 20 30 EDEDLO CCC(Cc1ccccc1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000745805854 579563821 /nfs/dbraw/zinc/56/38/21/579563821.db2.gz CBSOHJSINIMXGF-UHFFFAOYSA-N 1 2 334.489 1.791 20 30 EDEDLO CNc1[nH+]c(C)ccc1C(=O)OCC(=O)NCc1cccc(C#N)c1 ZINC000746574328 579601602 /nfs/dbraw/zinc/60/16/02/579601602.db2.gz ZPCZLMCMCJVVSY-UHFFFAOYSA-N 1 2 338.367 1.777 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)OCc2c[nH+]cn2C)c1 ZINC000747784312 579658059 /nfs/dbraw/zinc/65/80/59/579658059.db2.gz YLPQTLXLNWAZGG-UHFFFAOYSA-N 1 2 335.385 1.241 20 30 EDEDLO CC[N@H+](CCCO)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000748822918 579702252 /nfs/dbraw/zinc/70/22/52/579702252.db2.gz KHWZYVJNKASEHH-ZDUSSCGKSA-N 1 2 328.372 1.216 20 30 EDEDLO CC[N@@H+](CCCO)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000748822918 579702253 /nfs/dbraw/zinc/70/22/53/579702253.db2.gz KHWZYVJNKASEHH-ZDUSSCGKSA-N 1 2 328.372 1.216 20 30 EDEDLO C=CCNC(=O)c1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000750563416 579771518 /nfs/dbraw/zinc/77/15/18/579771518.db2.gz AMWKBAQFDMSABI-UHFFFAOYSA-N 1 2 348.366 1.830 20 30 EDEDLO CN(C)c1ccc(CNS(=O)(=O)c2cccc(F)c2C#N)c[nH+]1 ZINC000750998350 579790589 /nfs/dbraw/zinc/79/05/89/579790589.db2.gz XUKWPRSXRTVZBZ-UHFFFAOYSA-N 1 2 334.376 1.637 20 30 EDEDLO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000752404238 579848914 /nfs/dbraw/zinc/84/89/14/579848914.db2.gz GLOISRQBWUPBKQ-UHFFFAOYSA-N 1 2 336.395 1.920 20 30 EDEDLO C[C@H]1COCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000754384852 579902421 /nfs/dbraw/zinc/90/24/21/579902421.db2.gz LHEKQYQFTBKRGY-TZMCWYRMSA-N 1 2 340.383 1.480 20 30 EDEDLO C[C@H]1COCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000754384852 579902422 /nfs/dbraw/zinc/90/24/22/579902422.db2.gz LHEKQYQFTBKRGY-TZMCWYRMSA-N 1 2 340.383 1.480 20 30 EDEDLO Cn1c[nH+]cc1CN=Nc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000755646130 579931730 /nfs/dbraw/zinc/93/17/30/579931730.db2.gz RMKTVRNYMGGFFP-UHFFFAOYSA-N 1 2 334.405 1.046 20 30 EDEDLO CC(=NNC(=S)NCCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1O ZINC000758111805 579975510 /nfs/dbraw/zinc/97/55/10/579975510.db2.gz ZKINPLMWQBEWQQ-UHFFFAOYSA-N 1 2 339.421 1.440 20 30 EDEDLO Cc1cc2c(c(F)c1)NC(=O)C2=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761858343 580062691 /nfs/dbraw/zinc/06/26/91/580062691.db2.gz VDGDQWOOPBIPQX-UHFFFAOYSA-N 1 2 337.318 1.878 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000763821977 580106725 /nfs/dbraw/zinc/10/67/25/580106725.db2.gz BENUPFGGQDJVOH-UHFFFAOYSA-N 1 2 337.826 1.688 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000763821977 580106726 /nfs/dbraw/zinc/10/67/26/580106726.db2.gz BENUPFGGQDJVOH-UHFFFAOYSA-N 1 2 337.826 1.688 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)CCC(=O)c2ccc(Cl)cn2)CC1 ZINC000769372395 580235037 /nfs/dbraw/zinc/23/50/37/580235037.db2.gz OUYOHFMGVMUCPC-UHFFFAOYSA-N 1 2 333.819 1.865 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2cc(Cl)ccc2F)CC1 ZINC000769854598 580247138 /nfs/dbraw/zinc/24/71/38/580247138.db2.gz MNVRALGNAOIMLT-UHFFFAOYSA-N 1 2 337.826 1.688 20 30 EDEDLO CCOCCONC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000773511862 580339293 /nfs/dbraw/zinc/33/92/93/580339293.db2.gz HWPILCUBZISLKK-UHFFFAOYSA-N 1 2 332.404 1.354 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)[C@@H]1CCCO1 ZINC000773560632 580341386 /nfs/dbraw/zinc/34/13/86/580341386.db2.gz PIPFAHMHWHKMCW-ROUUACIJSA-N 1 2 345.418 1.834 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCCO1 ZINC000773563826 580341581 /nfs/dbraw/zinc/34/15/81/580341581.db2.gz UXFASOIAQYBVEW-HOTGVXAUSA-N 1 2 333.457 1.756 20 30 EDEDLO N#Cc1ccc([C@@H](O)C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000780863055 580535360 /nfs/dbraw/zinc/53/53/60/580535360.db2.gz PXKVLTXIVVXSDX-GOSISDBHSA-N 1 2 336.395 1.331 20 30 EDEDLO CC(C)(C)NS(=O)(=O)c1ccccc1N[NH+]=Cc1cnc(N)nc1 ZINC000781589864 580552978 /nfs/dbraw/zinc/55/29/78/580552978.db2.gz OBDOCSRBRAEENE-UHFFFAOYSA-N 1 2 348.432 1.582 20 30 EDEDLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)NCCC#N ZINC000782097254 580566238 /nfs/dbraw/zinc/56/62/38/580566238.db2.gz XVXISEMCMOVRKL-AWEZNQCLSA-N 1 2 338.452 1.738 20 30 EDEDLO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CC(=O)NCCC#N ZINC000782097254 580566239 /nfs/dbraw/zinc/56/62/39/580566239.db2.gz XVXISEMCMOVRKL-AWEZNQCLSA-N 1 2 338.452 1.738 20 30 EDEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=S)NCC[NH+]1CCOCC1 ZINC000782451659 580575266 /nfs/dbraw/zinc/57/52/66/580575266.db2.gz VRUIFVRDNOBQKF-MRXNPFEDSA-N 1 2 330.457 1.342 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@@H](/N=C/c2ccc(O)c(O)c2O)C1=O ZINC000782881353 580587555 /nfs/dbraw/zinc/58/75/55/580587555.db2.gz TUQRFXANRPTAPG-DKSCHZSNSA-N 1 2 344.371 1.147 20 30 EDEDLO N#Cc1c(NCCCCNc2cccc[nH+]2)cccc1S(N)(=O)=O ZINC000784588180 580624503 /nfs/dbraw/zinc/62/45/03/580624503.db2.gz YVSFKNVTIAALCU-UHFFFAOYSA-N 1 2 345.428 1.905 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1 ZINC000789601858 580750348 /nfs/dbraw/zinc/75/03/48/580750348.db2.gz YBAGOXXUIVZPDN-UHFFFAOYSA-N 1 2 345.750 1.173 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C[C@@]4(CCOC4)CC3=O)C2)nc1 ZINC000793593800 580848531 /nfs/dbraw/zinc/84/85/31/580848531.db2.gz YHBUCBFBDKAVGP-CRAIPNDOSA-N 1 2 342.399 1.003 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C[C@@]4(CCOC4)CC3=O)C2)nc1 ZINC000793593800 580848532 /nfs/dbraw/zinc/84/85/32/580848532.db2.gz YHBUCBFBDKAVGP-CRAIPNDOSA-N 1 2 342.399 1.003 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000798158461 580989030 /nfs/dbraw/zinc/98/90/30/580989030.db2.gz ZYSQWRQDDZUSGE-LJQANCHMSA-N 1 2 335.407 1.866 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cnc3cnccn23)C1 ZINC000798275798 580992888 /nfs/dbraw/zinc/99/28/88/580992888.db2.gz USQZABFIUKJOOH-TZMCWYRMSA-N 1 2 342.403 1.578 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC000798276086 580992890 /nfs/dbraw/zinc/99/28/90/580992890.db2.gz YAEZFOZGMQJBMB-CABCVRRESA-N 1 2 344.415 1.634 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000798355261 580995149 /nfs/dbraw/zinc/99/51/49/580995149.db2.gz UVVBVNCBABAPHI-ZWKOTPCHSA-N 1 2 345.443 1.133 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CCO[C@@H](C)C#N ZINC000801919409 581087987 /nfs/dbraw/zinc/08/79/87/581087987.db2.gz FNOYWJGDFUAKSY-LRDDRELGSA-N 1 2 327.388 1.044 20 30 EDEDLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](CCO[C@H](C)C#N)CC2)c1 ZINC000801922510 581088117 /nfs/dbraw/zinc/08/81/17/581088117.db2.gz KFHCHHJXSSFEQM-IAGOWNOFSA-N 1 2 345.443 1.835 20 30 EDEDLO Cc1nn(C)c(N2CCN(c3cccc([C@H](C)O)[nH+]3)CC2)c1C#N ZINC000893428610 590863862 /nfs/dbraw/zinc/86/38/62/590863862.db2.gz VFVOXDYXLLHEAT-ZDUSSCGKSA-N 1 2 326.404 1.375 20 30 EDEDLO COC(=O)[C@@H]1[C@@H](C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C1(F)F ZINC000893920147 591138451 /nfs/dbraw/zinc/13/84/51/591138451.db2.gz XGIBOFMAVMGNAG-OCCSQVGLSA-N 1 2 336.342 1.130 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000891607576 591145843 /nfs/dbraw/zinc/14/58/43/591145843.db2.gz UYTFBPAFKYWUOW-SFHVURJKSA-N 1 2 335.407 1.992 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000891607576 591145846 /nfs/dbraw/zinc/14/58/46/591145846.db2.gz UYTFBPAFKYWUOW-SFHVURJKSA-N 1 2 335.407 1.992 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2F)C1 ZINC000891608059 591146097 /nfs/dbraw/zinc/14/60/97/591146097.db2.gz WOZHXLYYKTVOBE-LLVKDONJSA-N 1 2 337.782 1.631 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2F)C1 ZINC000891608059 591146100 /nfs/dbraw/zinc/14/61/00/591146100.db2.gz WOZHXLYYKTVOBE-LLVKDONJSA-N 1 2 337.782 1.631 20 30 EDEDLO N#Cc1cnc(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)s1 ZINC000896489174 591476436 /nfs/dbraw/zinc/47/64/36/591476436.db2.gz SQBKGTXUVMTCQT-UHFFFAOYSA-N 1 2 329.385 1.494 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000897567267 591557920 /nfs/dbraw/zinc/55/79/20/591557920.db2.gz HUNGQDUWLRLHCE-GOSISDBHSA-N 1 2 325.416 1.931 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000897567267 591557922 /nfs/dbraw/zinc/55/79/22/591557922.db2.gz HUNGQDUWLRLHCE-GOSISDBHSA-N 1 2 325.416 1.931 20 30 EDEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000898896534 591591069 /nfs/dbraw/zinc/59/10/69/591591069.db2.gz VOYWPUUBYUXRKY-AWEZNQCLSA-N 1 2 328.347 1.312 20 30 EDEDLO O=C1[C@@H]([NH2+]Cc2cn3ccc(Br)cc3n2)CCCN1O ZINC000895159684 591625172 /nfs/dbraw/zinc/62/51/72/591625172.db2.gz XGYXUXDMRGNJNY-NSHDSACASA-N 1 2 339.193 1.567 20 30 EDEDLO O=C1[C@H]([NH2+]Cc2nc(Cl)ccc2Br)CCCN1O ZINC000895159410 591625943 /nfs/dbraw/zinc/62/59/43/591625943.db2.gz VGZCJPNITLSANM-MRVPVSSYSA-N 1 2 334.601 1.967 20 30 EDEDLO COc1ccc(Br)c(C[NH2+][C@H]2CCCN(O)C2=O)c1 ZINC000895163658 591629748 /nfs/dbraw/zinc/62/97/48/591629748.db2.gz XFJVUSMDJUSZBL-LBPRGKRZSA-N 1 2 329.194 1.928 20 30 EDEDLO O=C1[C@@H]([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CCCN1O ZINC000895167248 591634248 /nfs/dbraw/zinc/63/42/48/591634248.db2.gz WBASDYWSPSDNCE-VIFPVBQESA-N 1 2 330.287 1.487 20 30 EDEDLO C[C@@]1(C#N)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000896858325 591637754 /nfs/dbraw/zinc/63/77/54/591637754.db2.gz XJTXQYFAUNCPTM-QGZVFWFLSA-N 1 2 346.387 1.546 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCO[C@H](CS(C)(=O)=O)C1 ZINC000896877917 591643224 /nfs/dbraw/zinc/64/32/24/591643224.db2.gz FYZVGLNKUDKQBN-AWEZNQCLSA-N 1 2 338.429 1.124 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2I)C1 ZINC000895182774 591645616 /nfs/dbraw/zinc/64/56/16/591645616.db2.gz FOGQLXRRNFGHJA-SNVBAGLBSA-N 1 2 329.185 1.870 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](Cc2cn(C)nc2I)C1 ZINC000895182774 591645617 /nfs/dbraw/zinc/64/56/17/591645617.db2.gz FOGQLXRRNFGHJA-SNVBAGLBSA-N 1 2 329.185 1.870 20 30 EDEDLO O=C1C[C@H]([NH+]2CCC3(CC2)CC(=O)C=CO3)C(=O)N1c1ccccc1 ZINC000899253131 591746205 /nfs/dbraw/zinc/74/62/05/591746205.db2.gz KKLJCGCIOYRTTO-INIZCTEOSA-N 1 2 340.379 1.656 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2nc(C#N)cs2)C1 ZINC000897277673 591806861 /nfs/dbraw/zinc/80/68/61/591806861.db2.gz KEZFRXNOCSJCNN-LLVKDONJSA-N 1 2 330.417 1.837 20 30 EDEDLO COC(=O)[C@H](CC1CCOCC1)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000895592779 591818486 /nfs/dbraw/zinc/81/84/86/591818486.db2.gz YFQGKLFYRRFIFU-INIZCTEOSA-N 1 2 342.399 1.654 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccnn3)n2CC(C)C)CC1 ZINC000909613363 591855419 /nfs/dbraw/zinc/85/54/19/591855419.db2.gz UKXZTQJTCXZSBM-UHFFFAOYSA-N 1 2 325.420 1.146 20 30 EDEDLO NC(=[NH+]OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000021387686 591857076 /nfs/dbraw/zinc/85/70/76/591857076.db2.gz XEGYEXUYWLPZIC-UHFFFAOYSA-N 1 2 340.339 1.821 20 30 EDEDLO C#CC[NH+]1CCC(NC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)CC1 ZINC000900668048 592086358 /nfs/dbraw/zinc/08/63/58/592086358.db2.gz XPUNPHLHAJJPOE-UHFFFAOYSA-N 1 2 342.424 1.452 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2sc(-c3ccn(C)n3)nc2C)CC1 ZINC000900690802 592095842 /nfs/dbraw/zinc/09/58/42/592095842.db2.gz SAGOUAKNZCRTEF-UHFFFAOYSA-N 1 2 343.456 1.172 20 30 EDEDLO COC(=O)Cn1cc(C(=O)/C=C\c2[nH+]ccn2CC(F)(F)F)nn1 ZINC000905083261 592389783 /nfs/dbraw/zinc/38/97/83/592389783.db2.gz FGBDNIQAJJFDMT-IHWYPQMZSA-N 1 2 343.265 1.106 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000907014057 592478895 /nfs/dbraw/zinc/47/88/95/592478895.db2.gz JOPCPSLVYQRDLR-UHFFFAOYSA-N 1 2 336.457 1.399 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000907141022 592528265 /nfs/dbraw/zinc/52/82/65/592528265.db2.gz GGSBEBQYSLECGO-MRXNPFEDSA-N 1 2 344.440 1.079 20 30 EDEDLO Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)n1 ZINC000906023780 592719119 /nfs/dbraw/zinc/71/91/19/592719119.db2.gz VWTVVZJATGWNBO-ZBFHGGJFSA-N 1 2 344.415 1.388 20 30 EDEDLO Cc1cccc2ncc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)n21 ZINC000906473436 592833920 /nfs/dbraw/zinc/83/39/20/592833920.db2.gz VOITWHWMUGTENB-UHFFFAOYSA-N 1 2 341.415 1.331 20 30 EDEDLO N#Cc1sc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1Cl ZINC000888421899 593056417 /nfs/dbraw/zinc/05/64/17/593056417.db2.gz AAUQLQJTFWGVBV-DTORHVGOSA-N 1 2 341.824 1.653 20 30 EDEDLO N#Cc1sc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc1Cl ZINC000888421899 593056419 /nfs/dbraw/zinc/05/64/19/593056419.db2.gz AAUQLQJTFWGVBV-DTORHVGOSA-N 1 2 341.824 1.653 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000730277287 593108374 /nfs/dbraw/zinc/10/83/74/593108374.db2.gz MZYSZTQZJWPOPL-IRXDYDNUSA-N 1 2 341.411 1.840 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000730277287 593108375 /nfs/dbraw/zinc/10/83/75/593108375.db2.gz MZYSZTQZJWPOPL-IRXDYDNUSA-N 1 2 341.411 1.840 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000805807628 593145796 /nfs/dbraw/zinc/14/57/96/593145796.db2.gz LIVDGEFMURAYFX-DLBZAZTESA-N 1 2 341.411 1.717 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000805807628 593145797 /nfs/dbraw/zinc/14/57/97/593145797.db2.gz LIVDGEFMURAYFX-DLBZAZTESA-N 1 2 341.411 1.717 20 30 EDEDLO C=CC[C@@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1)c1ccncc1 ZINC000805809207 593146231 /nfs/dbraw/zinc/14/62/31/593146231.db2.gz OPPOTPMKEUGWTA-MRXNPFEDSA-N 1 2 341.415 1.560 20 30 EDEDLO C#CCN(C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)C1CCCC1 ZINC000807677828 593190163 /nfs/dbraw/zinc/19/01/63/593190163.db2.gz YVYITVJQIILDOP-SFHVURJKSA-N 1 2 339.439 1.694 20 30 EDEDLO C#CCN(C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)C1CCCC1 ZINC000807677828 593190165 /nfs/dbraw/zinc/19/01/65/593190165.db2.gz YVYITVJQIILDOP-SFHVURJKSA-N 1 2 339.439 1.694 20 30 EDEDLO C=CCN1CCN(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000839964065 593246162 /nfs/dbraw/zinc/24/61/62/593246162.db2.gz NJUAQGMWVRUPMD-UHFFFAOYSA-N 1 2 345.403 1.598 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCN(C=O)CC1 ZINC000839019673 593252681 /nfs/dbraw/zinc/25/26/81/593252681.db2.gz WKHAGOROEZEAJU-UPTPFMHGSA-N 1 2 334.464 1.470 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCCN(C=O)CC1 ZINC000839019673 593252682 /nfs/dbraw/zinc/25/26/82/593252682.db2.gz WKHAGOROEZEAJU-UPTPFMHGSA-N 1 2 334.464 1.470 20 30 EDEDLO C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)c(F)c1 ZINC000802548463 593262595 /nfs/dbraw/zinc/26/25/95/593262595.db2.gz RDVGBSQBAXVBPT-SNVBAGLBSA-N 1 2 332.310 1.286 20 30 EDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000839198241 593275790 /nfs/dbraw/zinc/27/57/90/593275790.db2.gz ZJZCHPSWWOSWNZ-QGZVFWFLSA-N 1 2 343.427 1.186 20 30 EDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000839198241 593275792 /nfs/dbraw/zinc/27/57/92/593275792.db2.gz ZJZCHPSWWOSWNZ-QGZVFWFLSA-N 1 2 343.427 1.186 20 30 EDEDLO CCC[C@]1(CO)CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000808796486 593288953 /nfs/dbraw/zinc/28/89/53/593288953.db2.gz NCGIWRPIHUMWJG-IBGZPJMESA-N 1 2 340.427 1.905 20 30 EDEDLO CCC[C@]1(CO)CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000808796486 593288955 /nfs/dbraw/zinc/28/89/55/593288955.db2.gz NCGIWRPIHUMWJG-IBGZPJMESA-N 1 2 340.427 1.905 20 30 EDEDLO O=C(/C=C/c1cnccn1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000809152012 593320825 /nfs/dbraw/zinc/32/08/25/593320825.db2.gz AOXLUJDMYYMGNQ-DUXPYHPUSA-N 1 2 325.368 1.911 20 30 EDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ccc(-n2cnnn2)cc1 ZINC000761861519 593422501 /nfs/dbraw/zinc/42/25/01/593422501.db2.gz ZQWHNUFGVXKUBV-UHFFFAOYSA-N 1 2 346.358 1.474 20 30 EDEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCCO1 ZINC000773158559 593458330 /nfs/dbraw/zinc/45/83/30/593458330.db2.gz AOWBOVBFAVGSLW-HOTGVXAUSA-N 1 2 328.416 1.662 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806621884 593460457 /nfs/dbraw/zinc/46/04/57/593460457.db2.gz UFIWQMXCFVGHRW-AWEZNQCLSA-N 1 2 335.448 1.267 20 30 EDEDLO COc1ccc(C(=O)N(C)C)cc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819419302 593753859 /nfs/dbraw/zinc/75/38/59/593753859.db2.gz CCPQKGRBMNPYAX-CQSZACIVSA-N 1 2 334.420 1.015 20 30 EDEDLO COc1ccc(C(=O)N(C)C)cc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819419302 593753860 /nfs/dbraw/zinc/75/38/60/593753860.db2.gz CCPQKGRBMNPYAX-CQSZACIVSA-N 1 2 334.420 1.015 20 30 EDEDLO C#CCCCOc1cccnc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000820605708 593843007 /nfs/dbraw/zinc/84/30/07/593843007.db2.gz UPWHDLLSCAEYJS-UHFFFAOYSA-N 1 2 344.459 1.520 20 30 EDEDLO CON=C(C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1csc(N)n1 ZINC000820860446 593908794 /nfs/dbraw/zinc/90/87/94/593908794.db2.gz MRHMZEOXEZOFNK-PWSUYJOCSA-N 1 2 348.432 1.382 20 30 EDEDLO C=C(Br)Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000821044720 593952252 /nfs/dbraw/zinc/95/22/52/593952252.db2.gz WBSDOYFCTRZXBL-UHFFFAOYSA-N 1 2 338.205 1.461 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000824610035 594046957 /nfs/dbraw/zinc/04/69/57/594046957.db2.gz HLZBIMBKUYAGSO-UHFFFAOYSA-N 1 2 328.338 1.400 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(OC)cc(OC)cc2OC)CC1 ZINC000824861597 594086412 /nfs/dbraw/zinc/08/64/12/594086412.db2.gz NTONSZCSYVGVNG-UHFFFAOYSA-N 1 2 348.399 1.991 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000825180366 594142838 /nfs/dbraw/zinc/14/28/38/594142838.db2.gz HXOQAVGXPWVQBQ-UHFFFAOYSA-N 1 2 334.441 1.117 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000829983272 594306961 /nfs/dbraw/zinc/30/69/61/594306961.db2.gz PAPLTZCLUBVMMN-SFHVURJKSA-N 1 2 328.416 1.576 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000829983272 594306964 /nfs/dbraw/zinc/30/69/64/594306964.db2.gz PAPLTZCLUBVMMN-SFHVURJKSA-N 1 2 328.416 1.576 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@H](C)C#N)c1-c1nn[nH]n1 ZINC000826332617 594430228 /nfs/dbraw/zinc/43/02/28/594430228.db2.gz ZPTYOYSHDIESFM-GFCCVEGCSA-N 1 2 336.403 1.952 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@H](C)C#N)c1-c1nn[nH]n1 ZINC000826332617 594430230 /nfs/dbraw/zinc/43/02/30/594430230.db2.gz ZPTYOYSHDIESFM-GFCCVEGCSA-N 1 2 336.403 1.952 20 30 EDEDLO N#Cc1c(-c2nn[nH]n2)ncn1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000826383155 594452556 /nfs/dbraw/zinc/45/25/56/594452556.db2.gz NEVRZETVXKELIF-UHFFFAOYSA-N 1 2 325.723 1.284 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CCC3(CC3)CC2)CC1 ZINC000826549734 594522822 /nfs/dbraw/zinc/52/28/22/594522822.db2.gz MGNLMCMSAIYASP-UHFFFAOYSA-N 1 2 331.460 1.241 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CCC3(CC3)CC2)CC1 ZINC000826549734 594522823 /nfs/dbraw/zinc/52/28/23/594522823.db2.gz MGNLMCMSAIYASP-UHFFFAOYSA-N 1 2 331.460 1.241 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831486681 594641166 /nfs/dbraw/zinc/64/11/66/594641166.db2.gz XIRHYUXODUTLRK-ZDUSSCGKSA-N 1 2 331.395 1.294 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000831699764 594693941 /nfs/dbraw/zinc/69/39/41/594693941.db2.gz ULSKLRQIRKUCTN-UHFFFAOYSA-N 1 2 333.344 1.882 20 30 EDEDLO CCO[C@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)C[NH+](C)C ZINC000831767062 594701088 /nfs/dbraw/zinc/70/10/88/594701088.db2.gz ZYUWBWAHISXKDV-LLVKDONJSA-N 1 2 338.433 1.077 20 30 EDEDLO COC[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000832611540 594763893 /nfs/dbraw/zinc/76/38/93/594763893.db2.gz ZRAFRHVBHYFLKH-CQSZACIVSA-N 1 2 326.400 1.921 20 30 EDEDLO COC[C@H]1CCCC[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000832611540 594763894 /nfs/dbraw/zinc/76/38/94/594763894.db2.gz ZRAFRHVBHYFLKH-CQSZACIVSA-N 1 2 326.400 1.921 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000843255328 595053517 /nfs/dbraw/zinc/05/35/17/595053517.db2.gz ZOWLVILGGXFCMK-BBWFWOEESA-N 1 2 342.443 1.555 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)C1 ZINC000834618718 595176031 /nfs/dbraw/zinc/17/60/31/595176031.db2.gz BQEGIGLHLUXEKW-OAHLLOKOSA-N 1 2 338.411 1.521 20 30 EDEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1 ZINC000846228893 595180189 /nfs/dbraw/zinc/18/01/89/595180189.db2.gz RZFHJYJRIITDLO-CYBMUJFWSA-N 1 2 343.399 1.715 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000844004326 595240141 /nfs/dbraw/zinc/24/01/41/595240141.db2.gz AHONGWYWILUJQO-DOTOQJQBSA-N 1 2 344.459 1.745 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000844004326 595240144 /nfs/dbraw/zinc/24/01/44/595240144.db2.gz AHONGWYWILUJQO-DOTOQJQBSA-N 1 2 344.459 1.745 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)nn1 ZINC000846817253 595321071 /nfs/dbraw/zinc/32/10/71/595321071.db2.gz CNAKHLVWORXLCX-GDBMZVCRSA-N 1 2 330.436 1.533 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)nn1 ZINC000846817253 595321075 /nfs/dbraw/zinc/32/10/75/595321075.db2.gz CNAKHLVWORXLCX-GDBMZVCRSA-N 1 2 330.436 1.533 20 30 EDEDLO COC(=O)[C@@H]([N@H+](C)C[C@@H](O)c1cccc(C#N)c1)C1(OC)CCC1 ZINC000844367821 595331969 /nfs/dbraw/zinc/33/19/69/595331969.db2.gz BYNJKAGIDLYHFJ-HZPDHXFCSA-N 1 2 332.400 1.634 20 30 EDEDLO COC(=O)[C@@H]([N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)C1(OC)CCC1 ZINC000844367821 595331971 /nfs/dbraw/zinc/33/19/71/595331971.db2.gz BYNJKAGIDLYHFJ-HZPDHXFCSA-N 1 2 332.400 1.634 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000844527707 595355190 /nfs/dbraw/zinc/35/51/90/595355190.db2.gz BLCVOYQGIRFVGN-XJKSGUPXSA-N 1 2 336.342 1.418 20 30 EDEDLO CC1CCN(C(=S)SCC(=O)N[C@](C)(C#N)C[NH+](C)C)CC1 ZINC000844529714 595355874 /nfs/dbraw/zinc/35/58/74/595355874.db2.gz VOQQCLXPVZGGIL-OAHLLOKOSA-N 1 2 342.534 1.696 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=S)Nc2ccccc2C#N)CC1 ZINC000844596574 595362815 /nfs/dbraw/zinc/36/28/15/595362815.db2.gz LKQXZJHCTJMZFF-UHFFFAOYSA-N 1 2 348.472 1.536 20 30 EDEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCCCn1cc[nH+]c1 ZINC000844913118 595413272 /nfs/dbraw/zinc/41/32/72/595413272.db2.gz ZMMXJQXLLAOYQA-KRWDZBQOSA-N 1 2 341.415 1.910 20 30 EDEDLO C[N@H+](CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCOC1 ZINC000106857988 595418575 /nfs/dbraw/zinc/41/85/75/595418575.db2.gz HYAVFTNEDRQXBM-OAHLLOKOSA-N 1 2 328.372 1.001 20 30 EDEDLO C[N@@H+](CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCOC1 ZINC000106857988 595418577 /nfs/dbraw/zinc/41/85/77/595418577.db2.gz HYAVFTNEDRQXBM-OAHLLOKOSA-N 1 2 328.372 1.001 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000847437990 595419291 /nfs/dbraw/zinc/41/92/91/595419291.db2.gz ZZMBNAHYQJTAFN-UHFFFAOYSA-N 1 2 346.431 1.687 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000848667745 595425249 /nfs/dbraw/zinc/42/52/49/595425249.db2.gz LUMQNAWTKVROII-JOCHJYFZSA-N 1 2 327.400 1.996 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2nscc2Br)CC1 ZINC000845361355 595484006 /nfs/dbraw/zinc/48/40/06/595484006.db2.gz LEDSWRNYRYAGQH-UHFFFAOYSA-N 1 2 328.235 1.687 20 30 EDEDLO C#CCCCOc1cccnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000853092190 595662231 /nfs/dbraw/zinc/66/22/31/595662231.db2.gz HDBZLKBISOXCPY-UHFFFAOYSA-N 1 2 330.432 1.084 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cccc(F)n2)c1=O ZINC000849898921 595689239 /nfs/dbraw/zinc/68/92/39/595689239.db2.gz GPRDVVUMUNZJJW-UHFFFAOYSA-N 1 2 328.347 1.135 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000855492728 595727503 /nfs/dbraw/zinc/72/75/03/595727503.db2.gz PLNYBDZODFDQIJ-UHFFFAOYSA-N 1 2 340.383 1.684 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000853423139 595749437 /nfs/dbraw/zinc/74/94/37/595749437.db2.gz WXNNIUNPTSFBDV-CQSZACIVSA-N 1 2 342.399 1.347 20 30 EDEDLO C=CC[N@H+](CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O)[C@@H](C)COC ZINC000853535699 595789953 /nfs/dbraw/zinc/78/99/53/595789953.db2.gz ZVICFZDMEIKVCU-KBPBESRZSA-N 1 2 341.452 1.592 20 30 EDEDLO C=CC[N@@H+](CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O)[C@@H](C)COC ZINC000853535699 595789954 /nfs/dbraw/zinc/78/99/54/595789954.db2.gz ZVICFZDMEIKVCU-KBPBESRZSA-N 1 2 341.452 1.592 20 30 EDEDLO C#C[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)C1CCOCC1 ZINC000856104173 595896644 /nfs/dbraw/zinc/89/66/44/595896644.db2.gz RIHLYETUPRMWAH-QGZVFWFLSA-N 1 2 343.427 1.072 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(C(C)C)c2)CC1 ZINC000851872718 595956578 /nfs/dbraw/zinc/95/65/78/595956578.db2.gz JYMNANGOWCHZGR-UHFFFAOYSA-N 1 2 335.473 1.395 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854083031 595970942 /nfs/dbraw/zinc/97/09/42/595970942.db2.gz YWBYSUALFVINST-LBPRGKRZSA-N 1 2 327.388 1.396 20 30 EDEDLO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000856594776 596026377 /nfs/dbraw/zinc/02/63/77/596026377.db2.gz JPXWMFZUIXORDX-OAHLLOKOSA-N 1 2 333.417 1.530 20 30 EDEDLO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000856594776 596026382 /nfs/dbraw/zinc/02/63/82/596026382.db2.gz JPXWMFZUIXORDX-OAHLLOKOSA-N 1 2 333.417 1.530 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000859324460 596051381 /nfs/dbraw/zinc/05/13/81/596051381.db2.gz LJQWJRDYKAGNNU-HNNXBMFYSA-N 1 2 333.432 1.699 20 30 EDEDLO C#C[C@H](NC(=O)NCc1cn2c(cccc2C)[nH+]1)C1CCOCC1 ZINC000852128255 596054088 /nfs/dbraw/zinc/05/40/88/596054088.db2.gz JKOWJRREHIFJAB-INIZCTEOSA-N 1 2 326.400 1.870 20 30 EDEDLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1C#N)C[C@H](O)CO ZINC000852180249 596072575 /nfs/dbraw/zinc/07/25/75/596072575.db2.gz RANXZDWBETUBAO-INIZCTEOSA-N 1 2 349.431 1.238 20 30 EDEDLO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1C#N)C[C@H](O)CO ZINC000852180249 596072581 /nfs/dbraw/zinc/07/25/81/596072581.db2.gz RANXZDWBETUBAO-INIZCTEOSA-N 1 2 349.431 1.238 20 30 EDEDLO C#CCC(C)(C)C(=O)NCC[NH+]1CCN(C(=O)C(C)(C)CC#C)CC1 ZINC000854484742 596094476 /nfs/dbraw/zinc/09/44/76/596094476.db2.gz RWTLEESNEAGDGP-UHFFFAOYSA-N 1 2 345.487 1.346 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000854544566 596113049 /nfs/dbraw/zinc/11/30/49/596113049.db2.gz RPBAIPCFRITYKV-AWEZNQCLSA-N 1 2 337.423 1.727 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000854544566 596113052 /nfs/dbraw/zinc/11/30/52/596113052.db2.gz RPBAIPCFRITYKV-AWEZNQCLSA-N 1 2 337.423 1.727 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000859545841 596128218 /nfs/dbraw/zinc/12/82/18/596128218.db2.gz RLDKVWGEZSKWQO-LLVKDONJSA-N 1 2 335.429 1.247 20 30 EDEDLO COc1cc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c32)c(F)cc1C#N ZINC000861874292 596132544 /nfs/dbraw/zinc/13/25/44/596132544.db2.gz JELSRCKUCCJCPV-LLVKDONJSA-N 1 2 343.318 1.102 20 30 EDEDLO C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000861979674 596168514 /nfs/dbraw/zinc/16/85/14/596168514.db2.gz XNMVNDPXHTXZPC-CYBMUJFWSA-N 1 2 325.372 1.630 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)C(C)(C)c2c[nH+]c[nH]2)n1 ZINC000857196980 596183325 /nfs/dbraw/zinc/18/33/25/596183325.db2.gz UTDRPPLFNPGHES-UHFFFAOYSA-N 1 2 329.404 1.192 20 30 EDEDLO C#CCN(CC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)C(=O)OC(C)(C)C ZINC000854844979 596212662 /nfs/dbraw/zinc/21/26/62/596212662.db2.gz FTERWRFHJSZCJH-STQMWFEESA-N 1 2 332.404 1.875 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000852648481 596218860 /nfs/dbraw/zinc/21/88/60/596218860.db2.gz PBNQRMWARMUTCH-MRXNPFEDSA-N 1 2 328.416 1.342 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@@]1(C)CO ZINC000852704430 596230494 /nfs/dbraw/zinc/23/04/94/596230494.db2.gz YIBKDODLGZJMRY-ACJLOTCBSA-N 1 2 326.400 1.370 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@@]1(C)CO ZINC000852704430 596230495 /nfs/dbraw/zinc/23/04/95/596230495.db2.gz YIBKDODLGZJMRY-ACJLOTCBSA-N 1 2 326.400 1.370 20 30 EDEDLO N#C[C@@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCCOC1 ZINC000864760097 596342279 /nfs/dbraw/zinc/34/22/79/596342279.db2.gz JKXPJTWEEUQZMI-MJGOQNOKSA-N 1 2 343.427 1.496 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)c1 ZINC000864940174 596422135 /nfs/dbraw/zinc/42/21/35/596422135.db2.gz YIMQESPMGBATAY-CQSZACIVSA-N 1 2 349.381 1.700 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)c1 ZINC000864940174 596422137 /nfs/dbraw/zinc/42/21/37/596422137.db2.gz YIMQESPMGBATAY-CQSZACIVSA-N 1 2 349.381 1.700 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000869187576 596439191 /nfs/dbraw/zinc/43/91/91/596439191.db2.gz QCYZFRJMJIUVQC-SFHVURJKSA-N 1 2 347.422 1.952 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cc3cc(C)[nH]n3)n2CC(C)C)CC1 ZINC000871140610 596476539 /nfs/dbraw/zinc/47/65/39/596476539.db2.gz KLJRHMVFJTVDHC-UHFFFAOYSA-N 1 2 341.463 1.312 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cc3cc(C)n[nH]3)n2CC(C)C)CC1 ZINC000871140610 596476541 /nfs/dbraw/zinc/47/65/41/596476541.db2.gz KLJRHMVFJTVDHC-UHFFFAOYSA-N 1 2 341.463 1.312 20 30 EDEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867713635 596510880 /nfs/dbraw/zinc/51/08/80/596510880.db2.gz RQKFEAGDVGXFHW-OAHLLOKOSA-N 1 2 343.399 1.551 20 30 EDEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867713635 596510881 /nfs/dbraw/zinc/51/08/81/596510881.db2.gz RQKFEAGDVGXFHW-OAHLLOKOSA-N 1 2 343.399 1.551 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CN2Cc3cc(OC)ccc3C2=O)CC1 ZINC000863259035 596529270 /nfs/dbraw/zinc/52/92/70/596529270.db2.gz NOLHFTOJQAWXFK-UHFFFAOYSA-N 1 2 341.411 1.070 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(c2cc[nH+]c(NC(=O)CC#N)c2)CC1 ZINC000863547992 596614508 /nfs/dbraw/zinc/61/45/08/596614508.db2.gz MZZZJRZJZZHUTJ-UHFFFAOYSA-N 1 2 345.403 1.991 20 30 EDEDLO N#Cc1ccc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000871729490 596679648 /nfs/dbraw/zinc/67/96/48/596679648.db2.gz QDAFRTHSRIDUQT-UHFFFAOYSA-N 1 2 340.383 1.821 20 30 EDEDLO C=C(Cl)C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)OCC ZINC000870029286 596716535 /nfs/dbraw/zinc/71/65/35/596716535.db2.gz QOSCYJPMJHQCSU-RYUDHWBXSA-N 1 2 325.796 1.636 20 30 EDEDLO C=CC[C@@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000870064026 596731051 /nfs/dbraw/zinc/73/10/51/596731051.db2.gz ALGLIRKMJVOIMI-RBUKOAKNSA-N 1 2 344.455 1.906 20 30 EDEDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1coc(C#N)c1 ZINC000865941792 596731683 /nfs/dbraw/zinc/73/16/83/596731683.db2.gz LSIUHTGFXLXQHW-CQSZACIVSA-N 1 2 339.399 1.487 20 30 EDEDLO CC1(C)OCc2cc(C[NH+]3CCN(C(=O)CC#N)CC3)ccc2O1 ZINC000864049091 596743644 /nfs/dbraw/zinc/74/36/44/596743644.db2.gz HZMWJLKKXGZDBY-UHFFFAOYSA-N 1 2 329.400 1.890 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)CC2)cc1 ZINC000870093220 596747175 /nfs/dbraw/zinc/74/71/75/596747175.db2.gz CVHVYPQBWSMYAH-OAHLLOKOSA-N 1 2 335.411 1.735 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)CC2)cc1 ZINC000870093220 596747179 /nfs/dbraw/zinc/74/71/79/596747179.db2.gz CVHVYPQBWSMYAH-OAHLLOKOSA-N 1 2 335.411 1.735 20 30 EDEDLO COc1cccc(C[NH+]2CCN(C(=O)c3ccnc(C#N)c3)CC2)c1 ZINC000870157834 596779534 /nfs/dbraw/zinc/77/95/34/596779534.db2.gz PQDBZOUHIBAPNA-UHFFFAOYSA-N 1 2 336.395 1.920 20 30 EDEDLO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)CC2 ZINC000866304316 596851980 /nfs/dbraw/zinc/85/19/80/596851980.db2.gz BEWUKSAGCBTZSV-YPMHNXCESA-N 1 2 327.388 1.667 20 30 EDEDLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(C)cc2C#N)CC1 ZINC000872448510 596912042 /nfs/dbraw/zinc/91/20/42/596912042.db2.gz RNZJAODKADZNKD-UHFFFAOYSA-N 1 2 337.445 1.210 20 30 EDEDLO C[C@]1(c2ccccc2)CCN(C[NH+]2CCN(CCC#N)CC2)C1=O ZINC000872734026 597051088 /nfs/dbraw/zinc/05/10/88/597051088.db2.gz VEQJGKAKYYJOBU-LJQANCHMSA-N 1 2 326.444 1.665 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OC)cc2Br)CC1 ZINC000125195227 597205018 /nfs/dbraw/zinc/20/50/18/597205018.db2.gz BKCIMBDRJZXLRK-UHFFFAOYSA-N 1 2 337.217 1.849 20 30 EDEDLO C[C@H](C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1)n1cnc(C#N)n1 ZINC000874889511 597210621 /nfs/dbraw/zinc/21/06/21/597210621.db2.gz LNVWJQROOFSGPR-BXUZGUMPSA-N 1 2 328.351 1.023 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCO1 ZINC000875195773 597324697 /nfs/dbraw/zinc/32/46/97/597324697.db2.gz VATGYOFZGXYKHB-GUYCJALGSA-N 1 2 328.416 1.045 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCO1 ZINC000875195773 597324702 /nfs/dbraw/zinc/32/47/02/597324702.db2.gz VATGYOFZGXYKHB-GUYCJALGSA-N 1 2 328.416 1.045 20 30 EDEDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)C(=O)N1c1cnn(C)c1 ZINC000877070714 597426246 /nfs/dbraw/zinc/42/62/46/597426246.db2.gz TUUSBPVTMCRTEU-IINYFYTJSA-N 1 2 344.806 1.624 20 30 EDEDLO C=CC[C@H](CC)NC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000875556073 597476459 /nfs/dbraw/zinc/47/64/59/597476459.db2.gz CEEJGCXZDYWFOO-HRCADAONSA-N 1 2 330.432 1.901 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC000878737374 597695084 /nfs/dbraw/zinc/69/50/84/597695084.db2.gz KQJMMTXVGBZCFE-APWZRJJASA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC000878737374 597695086 /nfs/dbraw/zinc/69/50/86/597695086.db2.gz KQJMMTXVGBZCFE-APWZRJJASA-N 1 2 333.476 1.487 20 30 EDEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000879226902 597857839 /nfs/dbraw/zinc/85/78/39/597857839.db2.gz UYCBHMKLXDOIPH-OLZOCXBDSA-N 1 2 336.436 1.536 20 30 EDEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000879226902 597857840 /nfs/dbraw/zinc/85/78/40/597857840.db2.gz UYCBHMKLXDOIPH-OLZOCXBDSA-N 1 2 336.436 1.536 20 30 EDEDLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cc(C#N)ccc3OC)C2)C1 ZINC000879484107 597931445 /nfs/dbraw/zinc/93/14/45/597931445.db2.gz PJUULCDJZAQMIH-QGZVFWFLSA-N 1 2 329.356 1.461 20 30 EDEDLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cc(C#N)ccc3OC)C2)C1 ZINC000879484107 597931448 /nfs/dbraw/zinc/93/14/48/597931448.db2.gz PJUULCDJZAQMIH-QGZVFWFLSA-N 1 2 329.356 1.461 20 30 EDEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000880479862 597941770 /nfs/dbraw/zinc/94/17/70/597941770.db2.gz ALTRGYIKHHQQFY-UHFFFAOYSA-N 1 2 331.372 1.692 20 30 EDEDLO C#CCOCCC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000133555858 597975975 /nfs/dbraw/zinc/97/59/75/597975975.db2.gz DYDRMIDHPBBBAW-GOSISDBHSA-N 1 2 330.428 1.086 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000884113046 597998309 /nfs/dbraw/zinc/99/83/09/597998309.db2.gz DKROSWZYTHUQGV-HNNXBMFYSA-N 1 2 334.391 1.810 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(OC)c(C#N)c1 ZINC000880884461 598025363 /nfs/dbraw/zinc/02/53/63/598025363.db2.gz YZCKDIMPAZYBEL-OAHLLOKOSA-N 1 2 332.404 1.799 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(OC)c(C#N)c1 ZINC000880884461 598025366 /nfs/dbraw/zinc/02/53/66/598025366.db2.gz YZCKDIMPAZYBEL-OAHLLOKOSA-N 1 2 332.404 1.799 20 30 EDEDLO COc1ccc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1C#N ZINC000880883293 598025676 /nfs/dbraw/zinc/02/56/76/598025676.db2.gz SONCDXZKOXEMMS-OLZOCXBDSA-N 1 2 332.404 1.798 20 30 EDEDLO COc1ccc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1C#N ZINC000880883293 598025679 /nfs/dbraw/zinc/02/56/79/598025679.db2.gz SONCDXZKOXEMMS-OLZOCXBDSA-N 1 2 332.404 1.798 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000884332103 598070829 /nfs/dbraw/zinc/07/08/29/598070829.db2.gz FGMCVAFWSPMRRA-AWEZNQCLSA-N 1 2 347.390 1.588 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000884378308 598086118 /nfs/dbraw/zinc/08/61/18/598086118.db2.gz OFPWUJJZVLIABJ-LBPRGKRZSA-N 1 2 330.306 1.509 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000884427041 598102105 /nfs/dbraw/zinc/10/21/05/598102105.db2.gz DJNZSGPJAHWWMM-KRWDZBQOSA-N 1 2 343.427 1.989 20 30 EDEDLO C=CCC1(O)CC[NH+](CN2C(=O)NC(C(C)C)(C(C)C)C2=O)CC1 ZINC000884479929 598116942 /nfs/dbraw/zinc/11/69/42/598116942.db2.gz XHCUKJHJONJCTR-UHFFFAOYSA-N 1 2 337.464 1.950 20 30 EDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2occc2Br)CC1 ZINC000914071704 695062022 /nfs/dbraw/zinc/06/20/22/695062022.db2.gz YXWJOBYIWMWXJX-UHFFFAOYSA-N 1 2 349.250 1.971 20 30 EDEDLO C=C1CC(C)(C(=O)NCC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001060462394 695230656 /nfs/dbraw/zinc/23/06/56/695230656.db2.gz BKAOOYPSIHOKKB-AWEZNQCLSA-N 1 2 330.432 1.663 20 30 EDEDLO C#CCN(C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(C)C ZINC000914328237 695361790 /nfs/dbraw/zinc/36/17/90/695361790.db2.gz JZEBUIPYSKDOME-INIZCTEOSA-N 1 2 325.478 1.248 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001031077343 695478580 /nfs/dbraw/zinc/47/85/80/695478580.db2.gz OSNFCZKBJMGHBB-OALUTQOASA-N 1 2 344.455 1.851 20 30 EDEDLO Oc1ccc(/C=N/C[C@@]2([NH+]3CCOCC3)CCSC2)c(O)c1O ZINC000915113371 695745232 /nfs/dbraw/zinc/74/52/32/695745232.db2.gz VLJHJXWIVHNHQO-UWNXQOIWSA-N 1 2 338.429 1.430 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)NC1CN(CC#Cc2cccc(Cl)c2)C1 ZINC001031261343 696069141 /nfs/dbraw/zinc/06/91/41/696069141.db2.gz HVLBWLVIMKDXPF-UHFFFAOYSA-N 1 2 342.830 1.468 20 30 EDEDLO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001007153647 696173809 /nfs/dbraw/zinc/17/38/09/696173809.db2.gz BRTXFFLBGOCNBK-GFCCVEGCSA-N 1 2 329.360 1.277 20 30 EDEDLO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001007153647 696173812 /nfs/dbraw/zinc/17/38/12/696173812.db2.gz BRTXFFLBGOCNBK-GFCCVEGCSA-N 1 2 329.360 1.277 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cn[nH]n2)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993538713 696213230 /nfs/dbraw/zinc/21/32/30/696213230.db2.gz FYSJCLYWKYONTJ-ABAIWWIYSA-N 1 2 342.378 1.598 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cn[nH]n2)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993538713 696213232 /nfs/dbraw/zinc/21/32/32/696213232.db2.gz FYSJCLYWKYONTJ-ABAIWWIYSA-N 1 2 342.378 1.598 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cn[nH]n2)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993542377 696216541 /nfs/dbraw/zinc/21/65/41/696216541.db2.gz OKYOKJZVQOCYNT-ABAIWWIYSA-N 1 2 342.378 1.598 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cn[nH]n2)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000993542377 696216543 /nfs/dbraw/zinc/21/65/43/696216543.db2.gz OKYOKJZVQOCYNT-ABAIWWIYSA-N 1 2 342.378 1.598 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnc(C)nc3)[C@H]2C)nc1 ZINC000994255806 696660596 /nfs/dbraw/zinc/66/05/96/696660596.db2.gz QWFUDRQGDBVKBM-KSSFIOAISA-N 1 2 349.438 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnc(C)nc3)[C@H]2C)nc1 ZINC000994255806 696660599 /nfs/dbraw/zinc/66/05/99/696660599.db2.gz QWFUDRQGDBVKBM-KSSFIOAISA-N 1 2 349.438 1.944 20 30 EDEDLO Cc1ccc(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1C#N ZINC000916619113 696688463 /nfs/dbraw/zinc/68/84/63/696688463.db2.gz JKSQBTSZJDBJLI-UHFFFAOYSA-N 1 2 330.432 1.777 20 30 EDEDLO Cc1ccc(CNC(=O)NCC[N@H+]2CCOCC2(C)C)cc1C#N ZINC000916619113 696688467 /nfs/dbraw/zinc/68/84/67/696688467.db2.gz JKSQBTSZJDBJLI-UHFFFAOYSA-N 1 2 330.432 1.777 20 30 EDEDLO COc1cccc(OC)c1OC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000917062935 696901680 /nfs/dbraw/zinc/90/16/80/696901680.db2.gz YHTGEOGMGUZSQB-UHFFFAOYSA-N 1 2 347.415 1.577 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCCO1 ZINC001031534143 697217863 /nfs/dbraw/zinc/21/78/63/697217863.db2.gz BWABXRMYCQVOJF-KRWDZBQOSA-N 1 2 332.831 1.919 20 30 EDEDLO Cc1c(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)cnn1C ZINC001031550391 697235259 /nfs/dbraw/zinc/23/52/59/697235259.db2.gz WYPGYOKELKQNFI-UHFFFAOYSA-N 1 2 340.402 1.581 20 30 EDEDLO CCc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)[nH]n1 ZINC001031555366 697241167 /nfs/dbraw/zinc/24/11/67/697241167.db2.gz NNYGUIYOIMASBL-UHFFFAOYSA-N 1 2 341.390 1.845 20 30 EDEDLO CC(C)(C)n1cc(C[NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001031622609 697351352 /nfs/dbraw/zinc/35/13/52/697351352.db2.gz ANKSZWUFLUMDPI-UHFFFAOYSA-N 1 2 340.431 1.700 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920616118 697454242 /nfs/dbraw/zinc/45/42/42/697454242.db2.gz QIZNGRUTZXEGQS-ZDUSSCGKSA-N 1 2 337.449 1.294 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccnc(OC)n2)C1 ZINC001031679929 697498067 /nfs/dbraw/zinc/49/80/67/697498067.db2.gz NUNFIZMPRSCAIO-CVEARBPZSA-N 1 2 346.431 1.014 20 30 EDEDLO CCc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)n(C)n1 ZINC001032071319 698024008 /nfs/dbraw/zinc/02/40/08/698024008.db2.gz WXZHRJAZNXHFBU-UHFFFAOYSA-N 1 2 343.456 1.777 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000994826997 698051688 /nfs/dbraw/zinc/05/16/88/698051688.db2.gz IGAAVTHIXMALRI-VXGBXAGGSA-N 1 2 336.823 1.619 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000994826997 698051693 /nfs/dbraw/zinc/05/16/93/698051693.db2.gz IGAAVTHIXMALRI-VXGBXAGGSA-N 1 2 336.823 1.619 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000943341893 698161950 /nfs/dbraw/zinc/16/19/50/698161950.db2.gz GTDHUPKRUOQHPL-OAHLLOKOSA-N 1 2 332.448 1.983 20 30 EDEDLO C=C1CCC(C(=O)N2CC(NC(=O)Cc3c[nH+]ccc3OC)C2)CC1 ZINC000994844344 698239314 /nfs/dbraw/zinc/23/93/14/698239314.db2.gz FKNPNFSXIMVVLO-UHFFFAOYSA-N 1 2 343.427 1.706 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000938631353 698374531 /nfs/dbraw/zinc/37/45/31/698374531.db2.gz APKGKIREIWTBAO-HNNXBMFYSA-N 1 2 349.394 1.011 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC000938654162 698428499 /nfs/dbraw/zinc/42/84/99/698428499.db2.gz POEHSHNPWWJCRY-HNNXBMFYSA-N 1 2 330.432 1.806 20 30 EDEDLO C=C(Cl)CN1CC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001032100756 698726030 /nfs/dbraw/zinc/72/60/30/698726030.db2.gz JQNSWXSNABIJPL-UHFFFAOYSA-N 1 2 331.807 1.681 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](c3ccccc3)C3CC3)CC2)C1 ZINC000941484804 701554946 /nfs/dbraw/zinc/55/49/46/701554946.db2.gz HVDNSAWKBHEJOK-HXUWFJFHSA-N 1 2 337.467 1.642 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000939010571 699054673 /nfs/dbraw/zinc/05/46/73/699054673.db2.gz YAIHIMKIGNVLDO-HUUCEWRRSA-N 1 2 344.459 1.717 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@H]([NH2+]Cc3nnc(CC)o3)[C@@H](C)C2)c1 ZINC000939107212 699174583 /nfs/dbraw/zinc/17/45/83/699174583.db2.gz JKCRFNSKXPNVDG-WFASDCNBSA-N 1 2 339.399 1.259 20 30 EDEDLO C[C@@H]1COCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031960690 701580279 /nfs/dbraw/zinc/58/02/79/701580279.db2.gz NNGNCIUSLCMZTQ-RDTXWAMCSA-N 1 2 327.428 1.779 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCO[C@H](C(C)C)C3)CC2)C1 ZINC000941632636 701600853 /nfs/dbraw/zinc/60/08/53/701600853.db2.gz MKMKLMPQICOAAG-HKUYNNGSSA-N 1 2 347.503 1.289 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]3C3CCCC3)CC2)C1 ZINC000941622674 701604602 /nfs/dbraw/zinc/60/46/02/701604602.db2.gz LTOHAUGNTLNYEZ-RTBURBONSA-N 1 2 329.488 1.664 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nnc(CC)o3)[C@@H](C)C2)nc1 ZINC000939554597 699704486 /nfs/dbraw/zinc/70/44/86/699704486.db2.gz ISCBXQPACCBWAH-WFASDCNBSA-N 1 2 339.399 1.259 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3cccc(CC)c3)CC2)C1 ZINC000941657931 701607232 /nfs/dbraw/zinc/60/72/32/701607232.db2.gz PMJSMDTXUDNNKF-UHFFFAOYSA-N 1 2 341.455 1.089 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)C1 ZINC000941657925 701607262 /nfs/dbraw/zinc/60/72/62/701607262.db2.gz PHDKHPBVFGYHBH-QGZVFWFLSA-N 1 2 341.455 1.306 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3cccc(Cl)c3)CC2)C1 ZINC000941660043 701607940 /nfs/dbraw/zinc/60/79/40/701607940.db2.gz DITIGDGLCOVJBC-UHFFFAOYSA-N 1 2 347.846 1.180 20 30 EDEDLO COc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)co1 ZINC001031880700 700499002 /nfs/dbraw/zinc/49/90/02/700499002.db2.gz NROHLHAYYWJYBI-UHFFFAOYSA-N 1 2 332.385 1.478 20 30 EDEDLO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)o1 ZINC000995704941 700562074 /nfs/dbraw/zinc/56/20/74/700562074.db2.gz IBMKTEVOMWFVPN-CYBMUJFWSA-N 1 2 342.403 1.472 20 30 EDEDLO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1csnn1 ZINC000995706332 700638767 /nfs/dbraw/zinc/63/87/67/700638767.db2.gz LKILGZMMJRRJBX-CYBMUJFWSA-N 1 2 330.417 1.378 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC000940753384 700890452 /nfs/dbraw/zinc/89/04/52/700890452.db2.gz KKMGXUVVGNRSHY-PMPSAXMXSA-N 1 2 348.447 1.768 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC000940753384 700890454 /nfs/dbraw/zinc/89/04/54/700890454.db2.gz KKMGXUVVGNRSHY-PMPSAXMXSA-N 1 2 348.447 1.768 20 30 EDEDLO CCc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)[nH]n1 ZINC001032285397 701365558 /nfs/dbraw/zinc/36/55/58/701365558.db2.gz KWSXPKONAMKEQQ-IRXDYDNUSA-N 1 2 335.411 1.943 20 30 EDEDLO CCc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)[nH]n1 ZINC001032285397 701365559 /nfs/dbraw/zinc/36/55/59/701365559.db2.gz KWSXPKONAMKEQQ-IRXDYDNUSA-N 1 2 335.411 1.943 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(CC)ccn3)CC2)C1 ZINC000941422260 701534088 /nfs/dbraw/zinc/53/40/88/701534088.db2.gz JZGZVCAEANRFEQ-UHFFFAOYSA-N 1 2 326.444 1.109 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3n[nH]c(CC)c3Cl)CC2)C1 ZINC000941440240 701541713 /nfs/dbraw/zinc/54/17/13/701541713.db2.gz FQRLZRYBHLLIGD-UHFFFAOYSA-N 1 2 349.866 1.091 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)nc1 ZINC001032135356 701895784 /nfs/dbraw/zinc/89/57/84/701895784.db2.gz QWVDTZOURMBUAA-UHFFFAOYSA-N 1 2 348.381 1.935 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001032202400 701919755 /nfs/dbraw/zinc/91/97/55/701919755.db2.gz OUMBESXWOLMLCE-HNNXBMFYSA-N 1 2 341.883 1.824 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cnns2)[C@H](C)C1 ZINC000941856758 701970869 /nfs/dbraw/zinc/97/08/69/701970869.db2.gz DNLKEIVLUYQDTL-PSASIEDQSA-N 1 2 345.266 1.887 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cnns2)[C@H](C)C1 ZINC000941856758 701970870 /nfs/dbraw/zinc/97/08/70/701970870.db2.gz DNLKEIVLUYQDTL-PSASIEDQSA-N 1 2 345.266 1.887 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)o1 ZINC000941968261 702229536 /nfs/dbraw/zinc/22/95/36/702229536.db2.gz WCWPLVLOEHKUJW-GWCFXTLKSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)o1 ZINC000941968261 702229543 /nfs/dbraw/zinc/22/95/43/702229543.db2.gz WCWPLVLOEHKUJW-GWCFXTLKSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nc(C)c(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)[nH]1 ZINC001031985371 702336602 /nfs/dbraw/zinc/33/66/02/702336602.db2.gz ZSRRTJZFWFVNBP-UHFFFAOYSA-N 1 2 341.390 1.899 20 30 EDEDLO C[C@@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)O1 ZINC001031988014 702424340 /nfs/dbraw/zinc/42/43/40/702424340.db2.gz HOSMVCZXTBPZON-SJKOYZFVSA-N 1 2 331.391 1.813 20 30 EDEDLO C[C@@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)O1 ZINC001031988223 702426327 /nfs/dbraw/zinc/42/63/27/702426327.db2.gz QAXVHFFGXKMVBR-SJKOYZFVSA-N 1 2 331.391 1.813 20 30 EDEDLO Cc1nccc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001032193668 702563892 /nfs/dbraw/zinc/56/38/92/702563892.db2.gz FFTHUNXEVKMQNZ-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO Cc1ncncc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032295952 702654320 /nfs/dbraw/zinc/65/43/20/702654320.db2.gz XLPGTVBWCVPZPV-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO Cc1ncncc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032295952 702654321 /nfs/dbraw/zinc/65/43/21/702654321.db2.gz XLPGTVBWCVPZPV-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@H]2C)CC1 ZINC000942600042 703115390 /nfs/dbraw/zinc/11/53/90/703115390.db2.gz JJDJJWRQMWRCDG-PBHICJAKSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)C[C@H]2C)CC1 ZINC000942600042 703115391 /nfs/dbraw/zinc/11/53/91/703115391.db2.gz JJDJJWRQMWRCDG-PBHICJAKSA-N 1 2 331.464 1.888 20 30 EDEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001060814194 703494818 /nfs/dbraw/zinc/49/48/18/703494818.db2.gz BVYAARXGNNUGBM-BTFPBAQTSA-N 1 2 343.431 1.464 20 30 EDEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001060814194 703494819 /nfs/dbraw/zinc/49/48/19/703494819.db2.gz BVYAARXGNNUGBM-BTFPBAQTSA-N 1 2 343.431 1.464 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)c3c(C)cc(C)[nH+]c3C)C2)cn1 ZINC000997558186 703831116 /nfs/dbraw/zinc/83/11/16/703831116.db2.gz VLQRGLUOMMHBMS-UHFFFAOYSA-N 1 2 348.406 1.638 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000999290053 706785087 /nfs/dbraw/zinc/78/50/87/706785087.db2.gz GCCXSAZYVLEPAE-UHFFFAOYSA-N 1 2 342.443 1.445 20 30 EDEDLO Cc1nnc(C[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)o1 ZINC000995646950 704700409 /nfs/dbraw/zinc/70/04/09/704700409.db2.gz FKIMGUYHLOQRQX-ZDUSSCGKSA-N 1 2 328.376 1.218 20 30 EDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC000944938242 704777130 /nfs/dbraw/zinc/77/71/30/704777130.db2.gz QOQHALWAKAWEFT-CABCVRRESA-N 1 2 343.431 1.445 20 30 EDEDLO N#CCN[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998267200 705641078 /nfs/dbraw/zinc/64/10/78/705641078.db2.gz LWKYVBJXMWUPFI-RYUDHWBXSA-N 1 2 329.326 1.235 20 30 EDEDLO N#CCN[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC000998267200 705641081 /nfs/dbraw/zinc/64/10/81/705641081.db2.gz LWKYVBJXMWUPFI-RYUDHWBXSA-N 1 2 329.326 1.235 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1oc(C)nc1C ZINC001032638402 706095616 /nfs/dbraw/zinc/09/56/16/706095616.db2.gz WKXTXSQBCZMZLV-JONQDZQNSA-N 1 2 331.416 1.668 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1oc(C)nc1C ZINC001032638402 706095617 /nfs/dbraw/zinc/09/56/17/706095617.db2.gz WKXTXSQBCZMZLV-JONQDZQNSA-N 1 2 331.416 1.668 20 30 EDEDLO C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061632582 707440641 /nfs/dbraw/zinc/44/06/41/707440641.db2.gz IDTZROSSELEVPM-RRFJBIMHSA-N 1 2 346.431 1.213 20 30 EDEDLO C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061632582 707440643 /nfs/dbraw/zinc/44/06/43/707440643.db2.gz IDTZROSSELEVPM-RRFJBIMHSA-N 1 2 346.431 1.213 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001033195881 707441573 /nfs/dbraw/zinc/44/15/73/707441573.db2.gz RVLMYIAHLMNESZ-CYBMUJFWSA-N 1 2 336.823 1.008 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(C(N)=O)nc2)C1 ZINC001033195881 707441575 /nfs/dbraw/zinc/44/15/75/707441575.db2.gz RVLMYIAHLMNESZ-CYBMUJFWSA-N 1 2 336.823 1.008 20 30 EDEDLO COc1nc(C(=O)N(C)[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)co1 ZINC001033305691 707454130 /nfs/dbraw/zinc/45/41/30/707454130.db2.gz YRMHTMFGMUQKOT-INIZCTEOSA-N 1 2 339.395 1.881 20 30 EDEDLO COc1nc(C(=O)N(C)[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)co1 ZINC001033305691 707454131 /nfs/dbraw/zinc/45/41/31/707454131.db2.gz YRMHTMFGMUQKOT-INIZCTEOSA-N 1 2 339.395 1.881 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001033223726 707818477 /nfs/dbraw/zinc/81/84/77/707818477.db2.gz ZSMNCJIXKQGKNL-HNNXBMFYSA-N 1 2 343.818 1.656 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001033223726 707818481 /nfs/dbraw/zinc/81/84/81/707818481.db2.gz ZSMNCJIXKQGKNL-HNNXBMFYSA-N 1 2 343.818 1.656 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(=O)[nH]c2)s1 ZINC001032763564 707890203 /nfs/dbraw/zinc/89/02/03/707890203.db2.gz IHSPUPFDDKVNSP-STQMWFEESA-N 1 2 340.408 1.819 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(=O)[nH]c2)s1 ZINC001032763564 707890205 /nfs/dbraw/zinc/89/02/05/707890205.db2.gz IHSPUPFDDKVNSP-STQMWFEESA-N 1 2 340.408 1.819 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001033232830 707912718 /nfs/dbraw/zinc/91/27/18/707912718.db2.gz WSXKGJWUICYNLO-LLVKDONJSA-N 1 2 334.807 1.475 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001033232830 707912721 /nfs/dbraw/zinc/91/27/21/707912721.db2.gz WSXKGJWUICYNLO-LLVKDONJSA-N 1 2 334.807 1.475 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CNc2ncnc3c2C[N@H+](C)CC3)C1 ZINC001060957172 708049214 /nfs/dbraw/zinc/04/92/14/708049214.db2.gz ILUSTVZNMFYTKL-AWEZNQCLSA-N 1 2 343.475 1.937 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](CNc2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001060957172 708049215 /nfs/dbraw/zinc/04/92/15/708049215.db2.gz ILUSTVZNMFYTKL-AWEZNQCLSA-N 1 2 343.475 1.937 20 30 EDEDLO Cn1cc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)cn1 ZINC001032800698 708083493 /nfs/dbraw/zinc/08/34/93/708083493.db2.gz VMCCBLGRROPACJ-PMACEKPBSA-N 1 2 348.450 1.690 20 30 EDEDLO Cn1cc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#Cc2ccccc2)cn1 ZINC001032800698 708083495 /nfs/dbraw/zinc/08/34/95/708083495.db2.gz VMCCBLGRROPACJ-PMACEKPBSA-N 1 2 348.450 1.690 20 30 EDEDLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033516190 708129793 /nfs/dbraw/zinc/12/97/93/708129793.db2.gz RHXBJRQOJFAZDV-CYBMUJFWSA-N 1 2 328.351 1.162 20 30 EDEDLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033516190 708129794 /nfs/dbraw/zinc/12/97/94/708129794.db2.gz RHXBJRQOJFAZDV-CYBMUJFWSA-N 1 2 328.351 1.162 20 30 EDEDLO CCn1ncnc1C[NH+]1CCC(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001001328250 708131012 /nfs/dbraw/zinc/13/10/12/708131012.db2.gz TUSLWUHMEGGHSG-UHFFFAOYSA-N 1 2 341.419 1.140 20 30 EDEDLO CC(C)C#CC(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001061003880 708146435 /nfs/dbraw/zinc/14/64/35/708146435.db2.gz XKHRVKKYHQDACB-UHFFFAOYSA-N 1 2 328.416 1.063 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2(N3CCOCC3)CCC2)C1 ZINC001033536156 708189734 /nfs/dbraw/zinc/18/97/34/708189734.db2.gz IKYCYBVJCHIUJT-HNNXBMFYSA-N 1 2 341.883 1.527 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2(N3CCOCC3)CCC2)C1 ZINC001033536156 708189735 /nfs/dbraw/zinc/18/97/35/708189735.db2.gz IKYCYBVJCHIUJT-HNNXBMFYSA-N 1 2 341.883 1.527 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001033651154 708437959 /nfs/dbraw/zinc/43/79/59/708437959.db2.gz YGYYRMALGBSIIO-CYBMUJFWSA-N 1 2 338.839 1.552 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001033651154 708437962 /nfs/dbraw/zinc/43/79/62/708437962.db2.gz YGYYRMALGBSIIO-CYBMUJFWSA-N 1 2 338.839 1.552 20 30 EDEDLO Cc1nnc([C@H](C)[NH+]2CCC(N(C)C(=O)c3c[nH]c(C#N)c3)CC2)o1 ZINC001005289529 708529979 /nfs/dbraw/zinc/52/99/79/708529979.db2.gz ONADDVLPHIZLKI-NSHDSACASA-N 1 2 342.403 1.875 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N(CC)C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001033776847 708703833 /nfs/dbraw/zinc/70/38/33/708703833.db2.gz QVYGXTVCVWBORH-ZBFHGGJFSA-N 1 2 345.447 1.041 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](N(CC)C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001033776847 708703834 /nfs/dbraw/zinc/70/38/34/708703834.db2.gz QVYGXTVCVWBORH-ZBFHGGJFSA-N 1 2 345.447 1.041 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cccn3nnnc23)C1 ZINC001033850229 708901825 /nfs/dbraw/zinc/90/18/25/708901825.db2.gz MIGQAWBDWMHSDO-LBPRGKRZSA-N 1 2 334.811 1.413 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccn3nnnc23)C1 ZINC001033850229 708901827 /nfs/dbraw/zinc/90/18/27/708901827.db2.gz MIGQAWBDWMHSDO-LBPRGKRZSA-N 1 2 334.811 1.413 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 ZINC001002460737 708984871 /nfs/dbraw/zinc/98/48/71/708984871.db2.gz NEQAVSYBKJJUSM-NEPJUHHUSA-N 1 2 345.237 1.285 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)C[C@H]2COC(=O)C2)CC1 ZINC001002606646 709149360 /nfs/dbraw/zinc/14/93/60/709149360.db2.gz GRJCWRUTGKACKV-LLVKDONJSA-N 1 2 345.237 1.429 20 30 EDEDLO CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001002625861 709199742 /nfs/dbraw/zinc/19/97/42/709199742.db2.gz IBYVVVMNZCACSX-LLVKDONJSA-N 1 2 342.403 1.787 20 30 EDEDLO CCN(C(=O)c1cnon1)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033993820 709202626 /nfs/dbraw/zinc/20/26/26/709202626.db2.gz AJZYMNZQBLQBQL-AWEZNQCLSA-N 1 2 343.362 1.817 20 30 EDEDLO CCN(C(=O)c1cnon1)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033993820 709202627 /nfs/dbraw/zinc/20/26/27/709202627.db2.gz AJZYMNZQBLQBQL-AWEZNQCLSA-N 1 2 343.362 1.817 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001002783666 709389724 /nfs/dbraw/zinc/38/97/24/709389724.db2.gz WLZYQGBBJRCYDE-DNVCBOLYSA-N 1 2 344.459 1.622 20 30 EDEDLO Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)no1 ZINC001034165495 709439010 /nfs/dbraw/zinc/43/90/10/709439010.db2.gz WDJYVRHTLHGOBD-CQSZACIVSA-N 1 2 327.388 1.967 20 30 EDEDLO Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)no1 ZINC001034165495 709439011 /nfs/dbraw/zinc/43/90/11/709439011.db2.gz WDJYVRHTLHGOBD-CQSZACIVSA-N 1 2 327.388 1.967 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@H](N(C)c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001061177874 709481036 /nfs/dbraw/zinc/48/10/36/709481036.db2.gz AQRZCNWTXCJCLC-KGLIPLIRSA-N 1 2 342.447 1.051 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@H](N(C)c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001061177874 709481041 /nfs/dbraw/zinc/48/10/41/709481041.db2.gz AQRZCNWTXCJCLC-KGLIPLIRSA-N 1 2 342.447 1.051 20 30 EDEDLO Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1C ZINC001034170727 709483202 /nfs/dbraw/zinc/48/32/02/709483202.db2.gz ANXIDBQDIAEQQO-OAHLLOKOSA-N 1 2 340.431 1.713 20 30 EDEDLO Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1C ZINC001034170727 709483204 /nfs/dbraw/zinc/48/32/04/709483204.db2.gz ANXIDBQDIAEQQO-OAHLLOKOSA-N 1 2 340.431 1.713 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001002930025 709593936 /nfs/dbraw/zinc/59/39/36/709593936.db2.gz GZDPGDOWZUOUGC-JSGCOSHPSA-N 1 2 339.399 1.786 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3cnnn3C)C2)cc1 ZINC001034338885 709799546 /nfs/dbraw/zinc/79/95/46/709799546.db2.gz FZJHSJQLLSUBIE-KRWDZBQOSA-N 1 2 337.427 1.581 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3cnnn3C)C2)cc1 ZINC001034338885 709799548 /nfs/dbraw/zinc/79/95/48/709799548.db2.gz FZJHSJQLLSUBIE-KRWDZBQOSA-N 1 2 337.427 1.581 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCCC[N@@H+](Cc3ncc(C)o3)C2)nn1 ZINC001034433357 710004214 /nfs/dbraw/zinc/00/42/14/710004214.db2.gz VZXZJERDZWPUMI-AWEZNQCLSA-N 1 2 344.419 1.545 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCCC[N@H+](Cc3ncc(C)o3)C2)nn1 ZINC001034433357 710004219 /nfs/dbraw/zinc/00/42/19/710004219.db2.gz VZXZJERDZWPUMI-AWEZNQCLSA-N 1 2 344.419 1.545 20 30 EDEDLO C=CCCn1cc(C(=O)NC[C@H]2CCN(c3cc[nH+]c(C)n3)C2)nn1 ZINC001061751278 710010338 /nfs/dbraw/zinc/01/03/38/710010338.db2.gz QCKJYTHOVCFOBD-CQSZACIVSA-N 1 2 341.419 1.209 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC001003210274 710121124 /nfs/dbraw/zinc/12/11/24/710121124.db2.gz OUYVNVPIBXZGHB-NWDGAFQWSA-N 1 2 331.254 1.901 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001034535205 710206595 /nfs/dbraw/zinc/20/65/95/710206595.db2.gz CPDQDIAZGXSGPL-LBPRGKRZSA-N 1 2 336.823 1.517 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccnc2C(N)=O)C1 ZINC001034535205 710206598 /nfs/dbraw/zinc/20/65/98/710206598.db2.gz CPDQDIAZGXSGPL-LBPRGKRZSA-N 1 2 336.823 1.517 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)Cc2cnoc2)CC1 ZINC001003481919 710367491 /nfs/dbraw/zinc/36/74/91/710367491.db2.gz LRJKIIICZRBLSC-UHFFFAOYSA-N 1 2 328.210 1.706 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cnc(C)n2C)CC1 ZINC001003507776 710389179 /nfs/dbraw/zinc/38/91/79/710389179.db2.gz MSIWALLSOGLGRA-UHFFFAOYSA-N 1 2 341.253 1.831 20 30 EDEDLO CN(c1ccncc1C#N)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001061281338 710422505 /nfs/dbraw/zinc/42/25/05/710422505.db2.gz WDWVEKOMCJSABY-MRXNPFEDSA-N 1 2 338.415 1.736 20 30 EDEDLO CN(c1ccncc1C#N)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001061281338 710422508 /nfs/dbraw/zinc/42/25/08/710422508.db2.gz WDWVEKOMCJSABY-MRXNPFEDSA-N 1 2 338.415 1.736 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@]2(C)CCOC2)CC1 ZINC001003857625 710704802 /nfs/dbraw/zinc/70/48/02/710704802.db2.gz STZXBDZMFWDGOW-AWEZNQCLSA-N 1 2 331.254 1.902 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)c2cn(C(C)C)cn2)C1=O ZINC001038558284 710769196 /nfs/dbraw/zinc/76/91/96/710769196.db2.gz ZZXOVUVQTHYKOX-HOCLYGCPSA-N 1 2 345.447 1.055 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)c2cn(C(C)C)cn2)C1=O ZINC001038558284 710769199 /nfs/dbraw/zinc/76/91/99/710769199.db2.gz ZZXOVUVQTHYKOX-HOCLYGCPSA-N 1 2 345.447 1.055 20 30 EDEDLO N#Cc1cc(C[NH+]2CCC(NC(=O)Cc3nnc[nH]3)CC2)ccc1F ZINC001003933466 711002517 /nfs/dbraw/zinc/00/25/17/711002517.db2.gz XKMXXDFQUITGHH-UHFFFAOYSA-N 1 2 342.378 1.139 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001032981815 711113445 /nfs/dbraw/zinc/11/34/45/711113445.db2.gz QBIHDEAXOFLULV-GFCCVEGCSA-N 1 2 327.226 1.394 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001032981815 711113449 /nfs/dbraw/zinc/11/34/49/711113449.db2.gz QBIHDEAXOFLULV-GFCCVEGCSA-N 1 2 327.226 1.394 20 30 EDEDLO CN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033054971 711628294 /nfs/dbraw/zinc/62/82/94/711628294.db2.gz RYVRTTBAISIVPS-MRXNPFEDSA-N 1 2 341.390 1.152 20 30 EDEDLO CN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033054971 711628297 /nfs/dbraw/zinc/62/82/97/711628297.db2.gz RYVRTTBAISIVPS-MRXNPFEDSA-N 1 2 341.390 1.152 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC001004474733 711851319 /nfs/dbraw/zinc/85/13/19/711851319.db2.gz DGRZSLKEQVTGFW-HZPDHXFCSA-N 1 2 347.463 1.004 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC001004474733 711851321 /nfs/dbraw/zinc/85/13/21/711851321.db2.gz DGRZSLKEQVTGFW-HZPDHXFCSA-N 1 2 347.463 1.004 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2cncnc2)CC1 ZINC001004492173 711871633 /nfs/dbraw/zinc/87/16/33/711871633.db2.gz XXIZQUYLPHHQCQ-KRWDZBQOSA-N 1 2 327.432 1.636 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2cncnc2)CC1 ZINC001004492173 711871634 /nfs/dbraw/zinc/87/16/34/711871634.db2.gz XXIZQUYLPHHQCQ-KRWDZBQOSA-N 1 2 327.432 1.636 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccoc2CC(N)=O)CC1 ZINC001004522046 711920931 /nfs/dbraw/zinc/92/09/31/711920931.db2.gz JBEXWUSYJJXLEC-HNNXBMFYSA-N 1 2 344.415 1.148 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccoc2CC(N)=O)CC1 ZINC001004522046 711920932 /nfs/dbraw/zinc/92/09/32/711920932.db2.gz JBEXWUSYJJXLEC-HNNXBMFYSA-N 1 2 344.415 1.148 20 30 EDEDLO CN(C)c1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)ccn1 ZINC001004572125 711996576 /nfs/dbraw/zinc/99/65/76/711996576.db2.gz ZSJLCPMCDNHDIB-KRWDZBQOSA-N 1 2 341.459 1.988 20 30 EDEDLO CN(C)c1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)ccn1 ZINC001004572125 711996577 /nfs/dbraw/zinc/99/65/77/711996577.db2.gz ZSJLCPMCDNHDIB-KRWDZBQOSA-N 1 2 341.459 1.988 20 30 EDEDLO COc1ccc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)nn1 ZINC001004604762 712054359 /nfs/dbraw/zinc/05/43/59/712054359.db2.gz XFVGERXIRGJDQC-HNNXBMFYSA-N 1 2 329.404 1.325 20 30 EDEDLO COc1ccc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)nn1 ZINC001004604762 712054363 /nfs/dbraw/zinc/05/43/63/712054363.db2.gz XFVGERXIRGJDQC-HNNXBMFYSA-N 1 2 329.404 1.325 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001033166137 712289178 /nfs/dbraw/zinc/28/91/78/712289178.db2.gz POGMBORDUKKFEZ-ZDUSSCGKSA-N 1 2 349.818 1.916 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001033166137 712289182 /nfs/dbraw/zinc/28/91/82/712289182.db2.gz POGMBORDUKKFEZ-ZDUSSCGKSA-N 1 2 349.818 1.916 20 30 EDEDLO C=C[C@@H](CC)CC(=O)N1CCOC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001061544005 712335803 /nfs/dbraw/zinc/33/58/03/712335803.db2.gz YYVDVVAINXZJBG-LSDHHAIUSA-N 1 2 348.447 1.288 20 30 EDEDLO Cn1nncc1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000328683022 539351851 /nfs/dbraw/zinc/35/18/51/539351851.db2.gz VZOGHPQQBGKYKW-UHFFFAOYSA-N 1 2 327.348 1.164 20 30 EDEDLO N#CC1(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCOCC1 ZINC000329320865 539428894 /nfs/dbraw/zinc/42/88/94/539428894.db2.gz UHMLGRAPDFEMNX-UHFFFAOYSA-N 1 2 329.400 1.896 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[C@H]1C#N)C1CCOCC1 ZINC000332782106 539604458 /nfs/dbraw/zinc/60/44/58/539604458.db2.gz IAUNADPISGNBIU-SOUVJXGZSA-N 1 2 331.420 1.879 20 30 EDEDLO N#Cc1c(N2CC[C@H]([NH+]3CCOCC3)C2)nc2cc(Cl)ccn12 ZINC000367431122 283079936 /nfs/dbraw/zinc/07/99/36/283079936.db2.gz SVTFKCHJAWJFCD-ZDUSSCGKSA-N 1 2 331.807 1.770 20 30 EDEDLO COc1cc(C#N)ccc1CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000120472608 138315695 /nfs/dbraw/zinc/31/56/95/138315695.db2.gz PLPXOALNIQYORV-AWEZNQCLSA-N 1 2 342.443 1.352 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000123595916 138319723 /nfs/dbraw/zinc/31/97/23/138319723.db2.gz FHDUENXECPCPRU-HNNXBMFYSA-N 1 2 335.429 1.008 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000123595916 138319724 /nfs/dbraw/zinc/31/97/24/138319724.db2.gz FHDUENXECPCPRU-HNNXBMFYSA-N 1 2 335.429 1.008 20 30 EDEDLO COC(=O)C[C@](C)([NH2+]CC(=O)NC1(C#N)CCC1)c1ccccn1 ZINC000351821249 291166446 /nfs/dbraw/zinc/16/64/46/291166446.db2.gz HELFKJHGAHWFFE-INIZCTEOSA-N 1 2 330.388 1.012 20 30 EDEDLO N#CC1CC[NH+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000057874924 236914391 /nfs/dbraw/zinc/91/43/91/236914391.db2.gz QHESZUYGKKWZKX-QGZVFWFLSA-N 1 2 326.444 1.865 20 30 EDEDLO COCc1noc(CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000189617760 237076049 /nfs/dbraw/zinc/07/60/49/237076049.db2.gz NOIGVBKLQDYBPI-CQSZACIVSA-N 1 2 341.415 1.966 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCCn2cc[nH+]c2)cc1C(F)(F)F ZINC000177626506 237397606 /nfs/dbraw/zinc/39/76/06/237397606.db2.gz IPJGAZVNHDDQIZ-UHFFFAOYSA-N 1 2 344.318 1.752 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)N(C)CCC#N ZINC000151218279 223795192 /nfs/dbraw/zinc/79/51/92/223795192.db2.gz CDINQTDURJDJSA-UONOGXRCSA-N 1 2 326.404 1.678 20 30 EDEDLO C#CCCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000265005418 249343137 /nfs/dbraw/zinc/34/31/37/249343137.db2.gz BTTWGKMFAAQECS-UHFFFAOYSA-N 1 2 331.416 1.220 20 30 EDEDLO Cc1ncoc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329073353 249810124 /nfs/dbraw/zinc/81/01/24/249810124.db2.gz OVCXSTLLTDYRBU-IUODEOHRSA-N 1 2 343.387 1.916 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2CCOC[C@H]2C)CC1 ZINC000330334446 249851142 /nfs/dbraw/zinc/85/11/42/249851142.db2.gz QRWGMDHFRVYCNW-CXAGYDPISA-N 1 2 349.479 1.494 20 30 EDEDLO COC(=O)c1cc(C(C)(C)[NH2+]CC(=O)NC2(C#N)CCCCC2)no1 ZINC000352017968 250069014 /nfs/dbraw/zinc/06/90/14/250069014.db2.gz MBLYRFUYXCZXSZ-UHFFFAOYSA-N 1 2 348.403 1.629 20 30 EDEDLO CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)C1(C#N)CCCCC1 ZINC000355118116 250106622 /nfs/dbraw/zinc/10/66/22/250106622.db2.gz ARPYBEPVMQWBPP-OAHLLOKOSA-N 1 2 347.463 1.207 20 30 EDEDLO CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1)C1(C#N)CCCCC1 ZINC000355118116 250106626 /nfs/dbraw/zinc/10/66/26/250106626.db2.gz ARPYBEPVMQWBPP-OAHLLOKOSA-N 1 2 347.463 1.207 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000355280795 250110905 /nfs/dbraw/zinc/11/09/05/250110905.db2.gz PQGGIMRCMMLFGR-DCGLDWPTSA-N 1 2 328.420 1.823 20 30 EDEDLO N#CCCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000355586512 250117811 /nfs/dbraw/zinc/11/78/11/250117811.db2.gz LGBAAZVUDCGYDE-HNNXBMFYSA-N 1 2 331.420 1.437 20 30 EDEDLO N#CCCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000355586512 250117814 /nfs/dbraw/zinc/11/78/14/250117814.db2.gz LGBAAZVUDCGYDE-HNNXBMFYSA-N 1 2 331.420 1.437 20 30 EDEDLO CC(=O)N1CC[NH+](CCNC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000354603462 250094756 /nfs/dbraw/zinc/09/47/56/250094756.db2.gz OYWBRGJULDAVTM-SFHVURJKSA-N 1 2 342.443 1.354 20 30 EDEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N1CC(O)(CC#N)C1 ZINC000355892207 250124471 /nfs/dbraw/zinc/12/44/71/250124471.db2.gz BIQFAILHHZUCBF-UHFFFAOYSA-N 1 2 326.400 1.866 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356633555 250128361 /nfs/dbraw/zinc/12/83/61/250128361.db2.gz WHLGKROPXKESLA-GJZGRUSLSA-N 1 2 331.416 1.582 20 30 EDEDLO COc1ccccc1[C@H](CNS(=O)(=O)CC1(C#N)CC1)[NH+](C)C ZINC000361514093 250174673 /nfs/dbraw/zinc/17/46/73/250174673.db2.gz LFSYLTBUEIRHKK-AWEZNQCLSA-N 1 2 337.445 1.521 20 30 EDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000360082169 250161266 /nfs/dbraw/zinc/16/12/66/250161266.db2.gz JXKWLFFRUHRRDN-LSDHHAIUSA-N 1 2 329.404 1.410 20 30 EDEDLO C[C@@H](NS(=O)(=O)N(C)CCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000360750328 250164610 /nfs/dbraw/zinc/16/46/10/250164610.db2.gz MILVEILCAMGODY-CYBMUJFWSA-N 1 2 333.417 1.613 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000365940687 250188284 /nfs/dbraw/zinc/18/82/84/250188284.db2.gz JMPQKQABHZIKMF-HZPDHXFCSA-N 1 2 349.475 1.300 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(C#N)o2)cc1 ZINC000093685782 218242439 /nfs/dbraw/zinc/24/24/39/218242439.db2.gz NPUSZXIIRPCHSV-UHFFFAOYSA-N 1 2 333.413 1.870 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(C#N)o2)cc1 ZINC000093685782 218242441 /nfs/dbraw/zinc/24/24/41/218242441.db2.gz NPUSZXIIRPCHSV-UHFFFAOYSA-N 1 2 333.413 1.870 20 30 EDEDLO C#CCCS(=O)(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000377339629 250288789 /nfs/dbraw/zinc/28/87/89/250288789.db2.gz LQWPBJRTKYRERU-UHFFFAOYSA-N 1 2 338.477 1.325 20 30 EDEDLO COC[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000251657015 139202204 /nfs/dbraw/zinc/20/22/04/139202204.db2.gz HUWDCBBJAUJLKN-JCGIZDLHSA-N 1 2 343.427 1.789 20 30 EDEDLO COC[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000251657015 139202205 /nfs/dbraw/zinc/20/22/05/139202205.db2.gz HUWDCBBJAUJLKN-JCGIZDLHSA-N 1 2 343.427 1.789 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCC(C)=C(Br)C2)CC1 ZINC000491405016 255125209 /nfs/dbraw/zinc/12/52/09/255125209.db2.gz GIVSMVDQMCXRFA-UHFFFAOYSA-N 1 2 340.265 1.138 20 30 EDEDLO C#CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000490649691 255097176 /nfs/dbraw/zinc/09/71/76/255097176.db2.gz JADWFTFWEMWNPG-INIZCTEOSA-N 1 2 343.408 1.135 20 30 EDEDLO C#CCN(CC#CC)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000490690095 255100127 /nfs/dbraw/zinc/10/01/27/255100127.db2.gz QYKQAWGTPROEBN-UHFFFAOYSA-N 1 2 326.400 1.086 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(NC(C)=O)ccc2Cl)CC1 ZINC000490760487 255105301 /nfs/dbraw/zinc/10/53/01/255105301.db2.gz MKSBWBLJZHFXFW-UHFFFAOYSA-N 1 2 348.834 1.488 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ccc(CC)o2)CC1 ZINC000490949877 255111644 /nfs/dbraw/zinc/11/16/44/255111644.db2.gz MOPPNSLHBMELPC-HJWRWDBZSA-N 1 2 343.427 1.139 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ccc(CC)o2)CC1 ZINC000490949877 255111646 /nfs/dbraw/zinc/11/16/46/255111646.db2.gz MOPPNSLHBMELPC-HJWRWDBZSA-N 1 2 343.427 1.139 20 30 EDEDLO C#CC[N@@H+](Cc1cc2ccccc2n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000491639311 255135767 /nfs/dbraw/zinc/13/57/67/255135767.db2.gz WRAIGSYVTITCRW-MRXNPFEDSA-N 1 2 344.436 1.161 20 30 EDEDLO C#CC[N@H+](Cc1cc2ccccc2n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000491639311 255135768 /nfs/dbraw/zinc/13/57/68/255135768.db2.gz WRAIGSYVTITCRW-MRXNPFEDSA-N 1 2 344.436 1.161 20 30 EDEDLO C#C[C@H](NC(=O)NCC[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000491668855 255137940 /nfs/dbraw/zinc/13/79/40/255137940.db2.gz TZJBRUBXRKYGDP-HNNXBMFYSA-N 1 2 339.798 1.785 20 30 EDEDLO C#CCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000491706498 255143962 /nfs/dbraw/zinc/14/39/62/255143962.db2.gz QXMXOPWGBTVBMR-HOTGVXAUSA-N 1 2 335.835 1.986 20 30 EDEDLO C#CCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000491706498 255143963 /nfs/dbraw/zinc/14/39/63/255143963.db2.gz QXMXOPWGBTVBMR-HOTGVXAUSA-N 1 2 335.835 1.986 20 30 EDEDLO COc1cc(OC)c(OC)cc1/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000493110251 255191802 /nfs/dbraw/zinc/19/18/02/255191802.db2.gz ZMSSNLIHMWQIHR-JTHGQSKGSA-N 1 2 347.415 1.686 20 30 EDEDLO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH+]2CC(O)(CC#N)C2)CC1 ZINC000496349267 255384890 /nfs/dbraw/zinc/38/48/90/255384890.db2.gz UICYFXICKCBGJN-MRXNPFEDSA-N 1 2 339.436 1.099 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000117372529 221058090 /nfs/dbraw/zinc/05/80/90/221058090.db2.gz BLWPFMWJRNWNFY-HNNXBMFYSA-N 1 2 337.445 1.290 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1CCOC ZINC000117372529 221058093 /nfs/dbraw/zinc/05/80/93/221058093.db2.gz BLWPFMWJRNWNFY-HNNXBMFYSA-N 1 2 337.445 1.290 20 30 EDEDLO N#Cc1ccc(Cn2cnc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)n2)cc1 ZINC000119298591 221288577 /nfs/dbraw/zinc/28/85/77/221288577.db2.gz HYHFPFOIICWXTB-OAHLLOKOSA-N 1 2 347.382 1.596 20 30 EDEDLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c(C#N)c1C ZINC000264194194 139385928 /nfs/dbraw/zinc/38/59/28/139385928.db2.gz GNLFSKYODRUBDI-OAHLLOKOSA-N 1 2 342.447 1.098 20 30 EDEDLO Cn1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1=O ZINC000264228452 139388493 /nfs/dbraw/zinc/38/84/93/139388493.db2.gz ZZJNIEHHXGOLNE-UHFFFAOYSA-N 1 2 336.395 1.215 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189846646 533503573 /nfs/dbraw/zinc/50/35/73/533503573.db2.gz JDILGQZXCODMEC-HNNXBMFYSA-N 1 2 331.416 1.792 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189846646 533503577 /nfs/dbraw/zinc/50/35/77/533503577.db2.gz JDILGQZXCODMEC-HNNXBMFYSA-N 1 2 331.416 1.792 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C(N)=O)c3ccccc3)C2=O)cc1 ZINC000272526369 140473091 /nfs/dbraw/zinc/47/30/91/140473091.db2.gz YGYZPMFVQWVPOX-ZWKOTPCHSA-N 1 2 348.406 1.870 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000374858429 292046038 /nfs/dbraw/zinc/04/60/38/292046038.db2.gz UITUFJQDNSVQBB-HZPDHXFCSA-N 1 2 349.456 1.086 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC000331149681 140988095 /nfs/dbraw/zinc/98/80/95/140988095.db2.gz NJADUQSODHGKMU-UHFFFAOYSA-N 1 2 344.383 1.424 20 30 EDEDLO Cc1cc(=O)[nH]cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000332126799 141127531 /nfs/dbraw/zinc/12/75/31/141127531.db2.gz NCEJGZLLHURTHX-UHFFFAOYSA-N 1 2 336.395 1.925 20 30 EDEDLO COC(=O)[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000346610874 143222075 /nfs/dbraw/zinc/22/20/75/143222075.db2.gz DWHSCZIXAQGAGK-DOMZBBRYSA-N 1 2 336.413 1.215 20 30 EDEDLO COC(=O)[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000346610874 143222076 /nfs/dbraw/zinc/22/20/76/143222076.db2.gz DWHSCZIXAQGAGK-DOMZBBRYSA-N 1 2 336.413 1.215 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000355437877 150267473 /nfs/dbraw/zinc/26/74/73/150267473.db2.gz GYZIBLQVMCBURE-VYDXJSESSA-N 1 2 343.427 1.647 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000355493108 150291638 /nfs/dbraw/zinc/29/16/38/150291638.db2.gz BHADZJMZPMEDPH-CYBMUJFWSA-N 1 2 333.436 1.957 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000355493108 150291642 /nfs/dbraw/zinc/29/16/42/150291642.db2.gz BHADZJMZPMEDPH-CYBMUJFWSA-N 1 2 333.436 1.957 20 30 EDEDLO Cc1oc(NC(=O)CN2CCN(Cc3[nH]cc[nH+]3)CC2)c(C#N)c1C ZINC000357731896 151130113 /nfs/dbraw/zinc/13/01/13/151130113.db2.gz BRAYDCXBTMYBLI-UHFFFAOYSA-N 1 2 342.403 1.248 20 30 EDEDLO COc1cc(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)ccc1C#N ZINC000358000216 151230074 /nfs/dbraw/zinc/23/00/74/151230074.db2.gz HRRAHRJYELKGSK-UHFFFAOYSA-N 1 2 346.431 1.477 20 30 EDEDLO COc1cc(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)ccc1C#N ZINC000358000216 151230076 /nfs/dbraw/zinc/23/00/76/151230076.db2.gz HRRAHRJYELKGSK-UHFFFAOYSA-N 1 2 346.431 1.477 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000362296810 152673230 /nfs/dbraw/zinc/67/32/30/152673230.db2.gz AVXOKYNUKZVCLC-HNNXBMFYSA-N 1 2 344.434 1.826 20 30 EDEDLO N#Cc1ccc(N2CCN(c3cccc(-n4cc[nH+]c4)n3)CC2)nc1 ZINC000363724527 153040476 /nfs/dbraw/zinc/04/04/76/153040476.db2.gz RXNAESATGHYDEG-UHFFFAOYSA-N 1 2 331.383 1.861 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(C#N)c1C ZINC000368056951 154389841 /nfs/dbraw/zinc/38/98/41/154389841.db2.gz MWYCTFWUZPEUHA-BYCMXARLSA-N 1 2 332.404 1.110 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C#N)c1C ZINC000368056951 154389842 /nfs/dbraw/zinc/38/98/42/154389842.db2.gz MWYCTFWUZPEUHA-BYCMXARLSA-N 1 2 332.404 1.110 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000371695100 156065704 /nfs/dbraw/zinc/06/57/04/156065704.db2.gz VYFWJYWGIORALT-UHFFFAOYSA-N 1 2 336.823 1.990 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000371695100 156065706 /nfs/dbraw/zinc/06/57/06/156065706.db2.gz VYFWJYWGIORALT-UHFFFAOYSA-N 1 2 336.823 1.990 20 30 EDEDLO Cc1cn2c([nH+]1)CN(C(=O)NCCOc1ccc(C#N)cc1)CC2 ZINC000371697683 156067079 /nfs/dbraw/zinc/06/70/79/156067079.db2.gz YFJUNYVKTYOKON-UHFFFAOYSA-N 1 2 325.372 1.667 20 30 EDEDLO N#Cc1ncn(C2CC[NH+]([C@H](C(N)=O)c3ccc(F)cc3)CC2)n1 ZINC000373404741 156835034 /nfs/dbraw/zinc/83/50/34/156835034.db2.gz RVOPNTJLSDCVEX-HNNXBMFYSA-N 1 2 328.351 1.152 20 30 EDEDLO N#Cc1cc(F)ccc1N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000374755619 157389970 /nfs/dbraw/zinc/38/99/70/157389970.db2.gz STMNERHBHSUMJS-KRWDZBQOSA-N 1 2 346.406 1.432 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cncn2)c(C#N)c1C ZINC000377998355 158051797 /nfs/dbraw/zinc/05/17/97/158051797.db2.gz RDVACOGYZSMRGN-CYBMUJFWSA-N 1 2 344.444 1.931 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cncn2)c(C#N)c1C ZINC000377998355 158051801 /nfs/dbraw/zinc/05/18/01/158051801.db2.gz RDVACOGYZSMRGN-CYBMUJFWSA-N 1 2 344.444 1.931 20 30 EDEDLO N#Cc1cc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)ccn1 ZINC000408101929 158266296 /nfs/dbraw/zinc/26/62/96/158266296.db2.gz WGRHZLVDSHLYOV-UHFFFAOYSA-N 1 2 327.432 1.478 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000162615946 225837501 /nfs/dbraw/zinc/83/75/01/225837501.db2.gz MFLKWEALSGUNMS-SFHVURJKSA-N 1 2 345.468 1.804 20 30 EDEDLO CCC1(CC)CN(Cc2c[nH+]c3ccc(C#N)cn23)CCS1(=O)=O ZINC000428432143 270012668 /nfs/dbraw/zinc/01/26/68/270012668.db2.gz XHKRXWNDLWHKKA-UHFFFAOYSA-N 1 2 346.456 1.995 20 30 EDEDLO CSCC[C@H](O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000294430736 270011099 /nfs/dbraw/zinc/01/10/99/270011099.db2.gz RKRPSXRRGCHQCK-INIZCTEOSA-N 1 2 333.457 1.316 20 30 EDEDLO CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)C(=O)OCC ZINC000411647666 270011961 /nfs/dbraw/zinc/01/19/61/270011961.db2.gz MJJQVXAYSKQTSG-CQSZACIVSA-N 1 2 331.416 1.838 20 30 EDEDLO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)C(=O)OCC ZINC000411647666 270011962 /nfs/dbraw/zinc/01/19/62/270011962.db2.gz MJJQVXAYSKQTSG-CQSZACIVSA-N 1 2 331.416 1.838 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000420445475 270012264 /nfs/dbraw/zinc/01/22/64/270012264.db2.gz NHVQJOCYLMTLQA-LBPRGKRZSA-N 1 2 329.372 1.390 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000533759210 270016062 /nfs/dbraw/zinc/01/60/62/270016062.db2.gz OZHMANJAKXMAON-ZDUSSCGKSA-N 1 2 348.424 1.825 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000533759210 270016063 /nfs/dbraw/zinc/01/60/63/270016063.db2.gz OZHMANJAKXMAON-ZDUSSCGKSA-N 1 2 348.424 1.825 20 30 EDEDLO CCC1(CO)CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000290114604 266014736 /nfs/dbraw/zinc/01/47/36/266014736.db2.gz YOTAQDXYWOCHDB-UHFFFAOYSA-N 1 2 337.445 1.211 20 30 EDEDLO CC(C)CN1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)[C@@H](C)C1=O ZINC000528463175 266904909 /nfs/dbraw/zinc/90/49/09/266904909.db2.gz GLQPEEWOBFTCQY-DOTOQJQBSA-N 1 2 345.443 1.487 20 30 EDEDLO CC(C)CN1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)[C@@H](C)C1=O ZINC000528463175 266904911 /nfs/dbraw/zinc/90/49/11/266904911.db2.gz GLQPEEWOBFTCQY-DOTOQJQBSA-N 1 2 345.443 1.487 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1cccc(C#N)c1 ZINC000286729149 267090115 /nfs/dbraw/zinc/09/01/15/267090115.db2.gz STAKWPRKWLOBPT-PBHICJAKSA-N 1 2 328.416 1.563 20 30 EDEDLO CCOC[C@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000528724037 267143037 /nfs/dbraw/zinc/14/30/37/267143037.db2.gz LADSCLOCFGXZGA-MSOLQXFVSA-N 1 2 343.427 1.791 20 30 EDEDLO CCOC[C@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000528724037 267143039 /nfs/dbraw/zinc/14/30/39/267143039.db2.gz LADSCLOCFGXZGA-MSOLQXFVSA-N 1 2 343.427 1.791 20 30 EDEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528464512 267225972 /nfs/dbraw/zinc/22/59/72/267225972.db2.gz MFSYCUTWGVPJHY-HOTGVXAUSA-N 1 2 331.416 1.241 20 30 EDEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528464512 267225977 /nfs/dbraw/zinc/22/59/77/267225977.db2.gz MFSYCUTWGVPJHY-HOTGVXAUSA-N 1 2 331.416 1.241 20 30 EDEDLO CC[C@H]1C[N@H+](CC)CCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451735299 267230322 /nfs/dbraw/zinc/23/03/22/267230322.db2.gz DDPFHQBAUUUCBD-INIZCTEOSA-N 1 2 335.473 1.748 20 30 EDEDLO CC[C@H]1C[N@@H+](CC)CCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451735299 267230329 /nfs/dbraw/zinc/23/03/29/267230329.db2.gz DDPFHQBAUUUCBD-INIZCTEOSA-N 1 2 335.473 1.748 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000290222449 267307974 /nfs/dbraw/zinc/30/79/74/267307974.db2.gz OVIIFWZQYVUGBM-GDBMZVCRSA-N 1 2 349.456 1.350 20 30 EDEDLO Cc1cc(C#N)nc(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)n1 ZINC000286541283 267313585 /nfs/dbraw/zinc/31/35/85/267313585.db2.gz CXKVWCIAMTZMOI-BBRMVZONSA-N 1 2 343.410 1.439 20 30 EDEDLO Cc1cc(C#N)nc(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)n1 ZINC000286541283 267313589 /nfs/dbraw/zinc/31/35/89/267313589.db2.gz CXKVWCIAMTZMOI-BBRMVZONSA-N 1 2 343.410 1.439 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+]CN3CCC(=O)CC3)C2=O)cc1 ZINC000273150797 268112336 /nfs/dbraw/zinc/11/23/36/268112336.db2.gz YSVAOXKKQFUVNI-QGZVFWFLSA-N 1 2 326.400 1.266 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CCO)c2ccco2)nc1 ZINC000289928056 268189163 /nfs/dbraw/zinc/18/91/63/268189163.db2.gz OGFHWRIGIVWBAB-ZDUSSCGKSA-N 1 2 335.385 1.033 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2ccco2)CC1 ZINC000528344209 268295740 /nfs/dbraw/zinc/29/57/40/268295740.db2.gz HNDHOGXXVLUJAC-KRWDZBQOSA-N 1 2 341.411 1.709 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000528344209 268295743 /nfs/dbraw/zinc/29/57/43/268295743.db2.gz HNDHOGXXVLUJAC-KRWDZBQOSA-N 1 2 341.411 1.709 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000491683578 275720714 /nfs/dbraw/zinc/72/07/14/275720714.db2.gz ZSAMXJDLEBUUKU-ZDUSSCGKSA-N 1 2 326.312 1.255 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1C ZINC000345493743 276242720 /nfs/dbraw/zinc/24/27/20/276242720.db2.gz XGOHAMHRIDHIMM-WDEREUQCSA-N 1 2 343.399 1.940 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1C ZINC000345493743 276242721 /nfs/dbraw/zinc/24/27/21/276242721.db2.gz XGOHAMHRIDHIMM-WDEREUQCSA-N 1 2 343.399 1.940 20 30 EDEDLO C=CC[C@H](C)NC(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000345081661 277885998 /nfs/dbraw/zinc/88/59/98/277885998.db2.gz AXNCCUWOWAGTSM-JDFRZJQESA-N 1 2 330.432 1.943 20 30 EDEDLO Cc1c(Cl)cnc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c1C#N ZINC000363670431 280234046 /nfs/dbraw/zinc/23/40/46/280234046.db2.gz JSJWOBYOAOARKC-HNNXBMFYSA-N 1 2 347.850 1.706 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H](C)C[N@@H+]1C ZINC000350872487 288242939 /nfs/dbraw/zinc/24/29/39/288242939.db2.gz VNXBFMGEOLCLHI-MNOVXSKESA-N 1 2 338.389 1.180 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H](C)C[N@H+]1C ZINC000350872487 288242941 /nfs/dbraw/zinc/24/29/41/288242941.db2.gz VNXBFMGEOLCLHI-MNOVXSKESA-N 1 2 338.389 1.180 20 30 EDEDLO C[C@H](O)C[C@@H]1COCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192786296 290139038 /nfs/dbraw/zinc/13/90/38/290139038.db2.gz ALPYYKMTYFTRDZ-BMGDILEWSA-N 1 2 343.427 1.525 20 30 EDEDLO C[C@H](O)C[C@@H]1COCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192786296 290139040 /nfs/dbraw/zinc/13/90/40/290139040.db2.gz ALPYYKMTYFTRDZ-BMGDILEWSA-N 1 2 343.427 1.525 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(C#N)c1C ZINC000269642128 294037212 /nfs/dbraw/zinc/03/72/12/294037212.db2.gz SFTQQSKLHPMGBH-UONOGXRCSA-N 1 2 335.429 1.913 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(C#N)c1C ZINC000269642128 294037216 /nfs/dbraw/zinc/03/72/16/294037216.db2.gz SFTQQSKLHPMGBH-UONOGXRCSA-N 1 2 335.429 1.913 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000448830321 447349721 /nfs/dbraw/zinc/34/97/21/447349721.db2.gz HMEVUKVXWDKGEY-MSOLQXFVSA-N 1 2 330.428 1.943 20 30 EDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547968361 306116356 /nfs/dbraw/zinc/11/63/56/306116356.db2.gz UBLWKNUHFGYLPE-SNVBAGLBSA-N 1 2 336.804 1.701 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000548623523 306132825 /nfs/dbraw/zinc/13/28/25/306132825.db2.gz MLXNICLTKJHEEM-LLVKDONJSA-N 1 2 336.804 1.701 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)cc1 ZINC000554833600 306198465 /nfs/dbraw/zinc/19/84/65/306198465.db2.gz OOPYHUKZSVTWNM-UHFFFAOYSA-N 1 2 340.343 1.148 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)nn1 ZINC000657413346 453784265 /nfs/dbraw/zinc/78/42/65/453784265.db2.gz LUKLCAZJIBMVAO-GFCCVEGCSA-N 1 2 331.342 1.497 20 30 EDEDLO CC(C)(CC#N)CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000422267073 447433377 /nfs/dbraw/zinc/43/33/77/447433377.db2.gz LAFTZEQZQDAFNE-UHFFFAOYSA-N 1 2 348.472 1.278 20 30 EDEDLO CC(C)(CC#N)CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000422267073 447433383 /nfs/dbraw/zinc/43/33/83/447433383.db2.gz LAFTZEQZQDAFNE-UHFFFAOYSA-N 1 2 348.472 1.278 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000044529281 440853220 /nfs/dbraw/zinc/85/32/20/440853220.db2.gz QHIQBULCOWCIPD-UHFFFAOYSA-N 1 2 349.456 1.075 20 30 EDEDLO CN(CCC#N)S(=O)(=O)N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000045799530 441038908 /nfs/dbraw/zinc/03/89/08/441038908.db2.gz UWGQNNZWEWZARG-UHFFFAOYSA-N 1 2 347.444 1.833 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000071122408 441140447 /nfs/dbraw/zinc/14/04/47/441140447.db2.gz ZPNOVXBXLCVBQH-HNNXBMFYSA-N 1 2 330.432 1.778 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000071122408 441140450 /nfs/dbraw/zinc/14/04/50/441140450.db2.gz ZPNOVXBXLCVBQH-HNNXBMFYSA-N 1 2 330.432 1.778 20 30 EDEDLO N#CCCN(CCc1ccc([N+](=O)[O-])cc1)CC[NH+]1CCOCC1 ZINC000081158461 441237147 /nfs/dbraw/zinc/23/71/47/441237147.db2.gz TXSWGVYBEYCLSB-UHFFFAOYSA-N 1 2 332.404 1.685 20 30 EDEDLO N#CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCOCC1 ZINC000081158461 441237151 /nfs/dbraw/zinc/23/71/51/441237151.db2.gz TXSWGVYBEYCLSB-UHFFFAOYSA-N 1 2 332.404 1.685 20 30 EDEDLO N#CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCOCC1 ZINC000081158461 441237154 /nfs/dbraw/zinc/23/71/54/441237154.db2.gz TXSWGVYBEYCLSB-UHFFFAOYSA-N 1 2 332.404 1.685 20 30 EDEDLO C[N@H+](C[C@@H]1COc2ccccc2O1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000072556107 441237398 /nfs/dbraw/zinc/23/73/98/441237398.db2.gz CIQAGPFGBAYAHW-QAPCUYQASA-N 1 2 337.379 1.856 20 30 EDEDLO C[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000072556107 441237401 /nfs/dbraw/zinc/23/74/01/441237401.db2.gz CIQAGPFGBAYAHW-QAPCUYQASA-N 1 2 337.379 1.856 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000081600457 441294504 /nfs/dbraw/zinc/29/45/04/441294504.db2.gz GESULKLSNHANLC-LBPRGKRZSA-N 1 2 327.379 1.087 20 30 EDEDLO N#C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CCO1 ZINC000106043179 441325609 /nfs/dbraw/zinc/32/56/09/441325609.db2.gz BFEGTZMWWMIZNJ-JKSUJKDBSA-N 1 2 331.441 1.527 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000106325705 441332366 /nfs/dbraw/zinc/33/23/66/441332366.db2.gz KGDYOOIPIWFIHA-UHFFFAOYSA-N 1 2 342.378 1.781 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000073630575 441336215 /nfs/dbraw/zinc/33/62/15/441336215.db2.gz LEDFCWJWIXMUCU-KRWDZBQOSA-N 1 2 328.416 1.564 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106870013 441382515 /nfs/dbraw/zinc/38/25/15/441382515.db2.gz TTWYEISPPJFQHT-GUYCJALGSA-N 1 2 338.452 1.640 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106870013 441382520 /nfs/dbraw/zinc/38/25/20/441382520.db2.gz TTWYEISPPJFQHT-GUYCJALGSA-N 1 2 338.452 1.640 20 30 EDEDLO CNC(=O)C1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083132902 441351454 /nfs/dbraw/zinc/35/14/54/441351454.db2.gz CBIRITZTUWCQJK-CYBMUJFWSA-N 1 2 332.429 1.183 20 30 EDEDLO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1 ZINC000074823979 441469393 /nfs/dbraw/zinc/46/93/93/441469393.db2.gz GRHZQCQJDHCHOL-UHFFFAOYSA-N 1 2 335.371 1.712 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000052892903 441484918 /nfs/dbraw/zinc/48/49/18/441484918.db2.gz XUOZMQVBUGIIFC-MRXNPFEDSA-N 1 2 344.415 1.282 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000052892903 441484921 /nfs/dbraw/zinc/48/49/21/441484921.db2.gz XUOZMQVBUGIIFC-MRXNPFEDSA-N 1 2 344.415 1.282 20 30 EDEDLO C#CC[N@@H+](CC(=O)NC1CCN(C(C)=O)CC1)Cc1ccc(F)cc1 ZINC000065958357 441497502 /nfs/dbraw/zinc/49/75/02/441497502.db2.gz PYWBIXPEQQGMDX-UHFFFAOYSA-N 1 2 345.418 1.388 20 30 EDEDLO C#CC[N@H+](CC(=O)NC1CCN(C(C)=O)CC1)Cc1ccc(F)cc1 ZINC000065958357 441497505 /nfs/dbraw/zinc/49/75/05/441497505.db2.gz PYWBIXPEQQGMDX-UHFFFAOYSA-N 1 2 345.418 1.388 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607573 441515515 /nfs/dbraw/zinc/51/55/15/441515515.db2.gz APSOKENTKDVBIF-ZDUSSCGKSA-N 1 2 330.388 1.961 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607573 441515519 /nfs/dbraw/zinc/51/55/19/441515519.db2.gz APSOKENTKDVBIF-ZDUSSCGKSA-N 1 2 330.388 1.961 20 30 EDEDLO COc1ccccc1[C@@H](NS(=O)(=O)CCCC#N)c1[nH+]ccn1C ZINC000111326268 441533903 /nfs/dbraw/zinc/53/39/03/441533903.db2.gz VSBWXUSJUXEOJN-OAHLLOKOSA-N 1 2 348.428 1.741 20 30 EDEDLO COc1cc(F)ccc1N1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000115551056 441756043 /nfs/dbraw/zinc/75/60/43/441756043.db2.gz PINBGFORWOAHAM-CQSZACIVSA-N 1 2 348.422 1.717 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@@](C)(c3ccccc3)C2)CC1 ZINC000121794710 441783116 /nfs/dbraw/zinc/78/31/16/441783116.db2.gz XPASOKHGWMZFDQ-HXUWFJFHSA-N 1 2 341.455 1.011 20 30 EDEDLO C=CC[C@@H](C)NC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000117040384 441863614 /nfs/dbraw/zinc/86/36/14/441863614.db2.gz XXWYUQNNHTZKOT-CQSZACIVSA-N 1 2 340.468 1.803 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CNc1cccc(F)c1 ZINC000118882988 441908468 /nfs/dbraw/zinc/90/84/68/441908468.db2.gz QFVVCDXBACSIQR-UHFFFAOYSA-N 1 2 334.395 1.312 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CSc2ccccc21 ZINC000118324475 441893310 /nfs/dbraw/zinc/89/33/10/441893310.db2.gz ALUMYGUYFBKATM-MRXNPFEDSA-N 1 2 345.468 1.950 20 30 EDEDLO Cc1cccn2cc(CN(CCC#N)CC[NH+]3CCOCC3)nc12 ZINC000078687522 441963176 /nfs/dbraw/zinc/96/31/76/441963176.db2.gz BQIXFNZCUDEBQV-UHFFFAOYSA-N 1 2 327.432 1.691 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000120557642 442093843 /nfs/dbraw/zinc/09/38/43/442093843.db2.gz SMXFSFKGUIIWDD-IRXDYDNUSA-N 1 2 343.475 1.768 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175883073 442140307 /nfs/dbraw/zinc/14/03/07/442140307.db2.gz ROTQXPVXMOBLQV-QRHJNKNDSA-N 1 2 347.463 1.015 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175883073 442140313 /nfs/dbraw/zinc/14/03/13/442140313.db2.gz ROTQXPVXMOBLQV-QRHJNKNDSA-N 1 2 347.463 1.015 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000120872301 442145289 /nfs/dbraw/zinc/14/52/89/442145289.db2.gz AJIJNCQPFNUEIR-GOSISDBHSA-N 1 2 330.432 1.569 20 30 EDEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)Nc1ccc(Br)cc1 ZINC000121320046 442203334 /nfs/dbraw/zinc/20/33/34/442203334.db2.gz ZJASIFQQGWSJAG-MRVPVSSYSA-N 1 2 330.182 1.447 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000176008956 442160410 /nfs/dbraw/zinc/16/04/10/442160410.db2.gz LRNBZMCRCJYCAO-UHFFFAOYSA-N 1 2 341.346 1.696 20 30 EDEDLO Cc1cc[nH+]c(N2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000166240742 442214994 /nfs/dbraw/zinc/21/49/94/442214994.db2.gz BUPDYGPNSDANBH-SFHVURJKSA-N 1 2 329.448 1.567 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000152736511 442240691 /nfs/dbraw/zinc/24/06/91/442240691.db2.gz NAQKXIOTTADWSX-QGZVFWFLSA-N 1 2 343.427 1.722 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000152736511 442240693 /nfs/dbraw/zinc/24/06/93/442240693.db2.gz NAQKXIOTTADWSX-QGZVFWFLSA-N 1 2 343.427 1.722 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128488876 442269540 /nfs/dbraw/zinc/26/95/40/442269540.db2.gz BHYCIPIZYTZTSE-LBPRGKRZSA-N 1 2 337.807 1.805 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128488876 442269544 /nfs/dbraw/zinc/26/95/44/442269544.db2.gz BHYCIPIZYTZTSE-LBPRGKRZSA-N 1 2 337.807 1.805 20 30 EDEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000177703355 442373169 /nfs/dbraw/zinc/37/31/69/442373169.db2.gz SHKKMYCSTFKJNP-GOSISDBHSA-N 1 2 336.395 1.445 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178803914 442490062 /nfs/dbraw/zinc/49/00/62/442490062.db2.gz ZOFFOTWJPAOHJR-FATZIPQQSA-N 1 2 335.473 1.864 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178803914 442490066 /nfs/dbraw/zinc/49/00/66/442490066.db2.gz ZOFFOTWJPAOHJR-FATZIPQQSA-N 1 2 335.473 1.864 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000186352915 442518091 /nfs/dbraw/zinc/51/80/91/442518091.db2.gz FOVGSOCBBPLAIQ-INIZCTEOSA-N 1 2 342.443 1.096 20 30 EDEDLO C=CCc1cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000157584892 442594421 /nfs/dbraw/zinc/59/44/21/442594421.db2.gz AUTVJOSVRGDRAI-CQSZACIVSA-N 1 2 325.430 1.748 20 30 EDEDLO C=CCc1cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000157584892 442594425 /nfs/dbraw/zinc/59/44/25/442594425.db2.gz AUTVJOSVRGDRAI-CQSZACIVSA-N 1 2 325.430 1.748 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000180665579 442646061 /nfs/dbraw/zinc/64/60/61/442646061.db2.gz KPVWQRXBUUZYMS-UHFFFAOYSA-N 1 2 344.459 1.407 20 30 EDEDLO C[C@H]1C[C@H](C)CN(C(=O)CN(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000158115800 442647296 /nfs/dbraw/zinc/64/72/96/442647296.db2.gz DNMICFCGCBDEIS-IRXDYDNUSA-N 1 2 336.480 1.039 20 30 EDEDLO Cc1nn(C(C)(C)C)cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000182316422 442756769 /nfs/dbraw/zinc/75/67/69/442756769.db2.gz OMTBXFKIANSDSJ-UHFFFAOYSA-N 1 2 347.463 1.635 20 30 EDEDLO C=CCNC(=O)CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000181652935 442708466 /nfs/dbraw/zinc/70/84/66/442708466.db2.gz IMSGEAZJVPDYHH-MRXNPFEDSA-N 1 2 333.407 1.599 20 30 EDEDLO C=CCNC(=O)CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000181652935 442708467 /nfs/dbraw/zinc/70/84/67/442708467.db2.gz IMSGEAZJVPDYHH-MRXNPFEDSA-N 1 2 333.407 1.599 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]([NH+]3CCOCC3)C2)c(C#N)c1C ZINC000247224065 442841931 /nfs/dbraw/zinc/84/19/31/442841931.db2.gz WKCVHZIRXJCWPT-DZGCQCFKSA-N 1 2 346.431 1.502 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(C#N)c1C ZINC000247224065 442841935 /nfs/dbraw/zinc/84/19/35/442841935.db2.gz WKCVHZIRXJCWPT-DZGCQCFKSA-N 1 2 346.431 1.502 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)c(C#N)c1C ZINC000247224065 442841940 /nfs/dbraw/zinc/84/19/40/442841940.db2.gz WKCVHZIRXJCWPT-DZGCQCFKSA-N 1 2 346.431 1.502 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)c2ccccc21 ZINC000249293200 442964689 /nfs/dbraw/zinc/96/46/89/442964689.db2.gz LJEBBLHCNLXSGY-UONOGXRCSA-N 1 2 327.384 1.165 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)c2ccccc21 ZINC000249293200 442964693 /nfs/dbraw/zinc/96/46/93/442964693.db2.gz LJEBBLHCNLXSGY-UONOGXRCSA-N 1 2 327.384 1.165 20 30 EDEDLO C[C@@H](C(=O)N[C@]1(C#N)CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000183966848 442978544 /nfs/dbraw/zinc/97/85/44/442978544.db2.gz JCAIOFKPAZYSJP-KBXCAEBGSA-N 1 2 329.469 1.991 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000190113310 443059057 /nfs/dbraw/zinc/05/90/57/443059057.db2.gz JBHOTNXDLIHDIO-SOUVJXGZSA-N 1 2 338.473 1.733 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000190113310 443059061 /nfs/dbraw/zinc/05/90/61/443059061.db2.gz JBHOTNXDLIHDIO-SOUVJXGZSA-N 1 2 338.473 1.733 20 30 EDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000266216260 443061372 /nfs/dbraw/zinc/06/13/72/443061372.db2.gz PVVGKHHYSYGFBX-STQMWFEESA-N 1 2 337.424 1.265 20 30 EDEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCOC1 ZINC000266492713 443145272 /nfs/dbraw/zinc/14/52/72/443145272.db2.gz DJSMGSIWPJXJDT-MAUKXSAKSA-N 1 2 342.443 1.810 20 30 EDEDLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000266417048 443121742 /nfs/dbraw/zinc/12/17/42/443121742.db2.gz RKPGBUSMDJPASN-GOSISDBHSA-N 1 2 346.450 1.929 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000266603634 443183550 /nfs/dbraw/zinc/18/35/50/443183550.db2.gz FNTMAUCBSBVWPE-CYBMUJFWSA-N 1 2 328.416 1.657 20 30 EDEDLO N#C[C@H]1CN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCO1 ZINC000190906148 443207439 /nfs/dbraw/zinc/20/74/39/443207439.db2.gz KVVNDPJJBIHVAU-AWEZNQCLSA-N 1 2 348.834 1.632 20 30 EDEDLO N#C[C@H]1CN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCO1 ZINC000190906148 443207443 /nfs/dbraw/zinc/20/74/43/443207443.db2.gz KVVNDPJJBIHVAU-AWEZNQCLSA-N 1 2 348.834 1.632 20 30 EDEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000245793738 443249181 /nfs/dbraw/zinc/24/91/81/443249181.db2.gz DGIUMACHQGOYTC-QFBILLFUSA-N 1 2 340.427 1.532 20 30 EDEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000245793738 443249183 /nfs/dbraw/zinc/24/91/83/443249183.db2.gz DGIUMACHQGOYTC-QFBILLFUSA-N 1 2 340.427 1.532 20 30 EDEDLO COc1ccc(OC)c2c1C[N@H+](Cc1cc(C#N)n(C)c1)C[C@@H]2O ZINC000191191939 443256073 /nfs/dbraw/zinc/25/60/73/443256073.db2.gz BJPKNOCVEKBVJR-HNNXBMFYSA-N 1 2 327.384 1.963 20 30 EDEDLO COc1ccc(OC)c2c1C[N@@H+](Cc1cc(C#N)n(C)c1)C[C@@H]2O ZINC000191191939 443256078 /nfs/dbraw/zinc/25/60/78/443256078.db2.gz BJPKNOCVEKBVJR-HNNXBMFYSA-N 1 2 327.384 1.963 20 30 EDEDLO COCCCn1nccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000282758097 443426068 /nfs/dbraw/zinc/42/60/68/443426068.db2.gz HWHUFHNJGJEAHE-UHFFFAOYSA-N 1 2 340.431 1.508 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000272791327 443445902 /nfs/dbraw/zinc/44/59/02/443445902.db2.gz DGHJDYZQNOLJPF-LBPRGKRZSA-N 1 2 345.490 1.251 20 30 EDEDLO C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2C(C)=O)CC1 ZINC000272028011 443523114 /nfs/dbraw/zinc/52/31/14/443523114.db2.gz OLRWQXJJWYKFEF-OAHLLOKOSA-N 1 2 327.428 1.857 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000267830786 443591861 /nfs/dbraw/zinc/59/18/61/443591861.db2.gz QWTFCAVASNKYQI-INIZCTEOSA-N 1 2 327.384 1.374 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)COc2ccccc2C#N)CCO1 ZINC000276232791 443672779 /nfs/dbraw/zinc/67/27/79/443672779.db2.gz KDJVSRNPTJZJIC-RHSMWYFYSA-N 1 2 340.383 1.707 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)CCN1C ZINC000280160936 443674505 /nfs/dbraw/zinc/67/45/05/443674505.db2.gz SBCQJVVQBWJKIS-HNNXBMFYSA-N 1 2 344.463 1.051 20 30 EDEDLO COCC[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccnc1 ZINC000276276720 443680161 /nfs/dbraw/zinc/68/01/61/443680161.db2.gz DQPBFDPVCHGGIU-UHFFFAOYSA-N 1 2 329.404 1.186 20 30 EDEDLO COCC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1cccnc1 ZINC000276276720 443680162 /nfs/dbraw/zinc/68/01/62/443680162.db2.gz DQPBFDPVCHGGIU-UHFFFAOYSA-N 1 2 329.404 1.186 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)(C)C ZINC000290940482 443716746 /nfs/dbraw/zinc/71/67/46/443716746.db2.gz FXGIRDKYZAIDIF-ZIAGYGMSSA-N 1 2 344.463 1.834 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)(C)C ZINC000290940482 443716750 /nfs/dbraw/zinc/71/67/50/443716750.db2.gz FXGIRDKYZAIDIF-ZIAGYGMSSA-N 1 2 344.463 1.834 20 30 EDEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286817131 443726100 /nfs/dbraw/zinc/72/61/00/443726100.db2.gz LOFUGPQZTOVSPI-UHFFFAOYSA-N 1 2 339.399 1.345 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292387485 443792858 /nfs/dbraw/zinc/79/28/58/443792858.db2.gz XWGBUTCVFRDSFA-CQSZACIVSA-N 1 2 338.429 1.312 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000292387485 443792863 /nfs/dbraw/zinc/79/28/63/443792863.db2.gz XWGBUTCVFRDSFA-CQSZACIVSA-N 1 2 338.429 1.312 20 30 EDEDLO C#CCNc1nc(NC[C@](C)(O)CC)[nH+]c(NC[C@@](C)(O)CC)n1 ZINC000287698299 443754869 /nfs/dbraw/zinc/75/48/69/443754869.db2.gz DYRSQELCVWBIOB-IYBDPMFKSA-N 1 2 336.440 1.063 20 30 EDEDLO C#CCNc1nc(NC[C@](C)(O)CC)nc(NC[C@@](C)(O)CC)[nH+]1 ZINC000287698299 443754871 /nfs/dbraw/zinc/75/48/71/443754871.db2.gz DYRSQELCVWBIOB-IYBDPMFKSA-N 1 2 336.440 1.063 20 30 EDEDLO C#CCNc1nc(NC[C@@](C)(O)CC)nc(NC[C@](C)(O)CC)[nH+]1 ZINC000287698299 443754874 /nfs/dbraw/zinc/75/48/74/443754874.db2.gz DYRSQELCVWBIOB-IYBDPMFKSA-N 1 2 336.440 1.063 20 30 EDEDLO CCOC(=O)c1cc(CN(CCC#N)CC[NH+]2CCOCC2)[nH]c1C ZINC000291388544 443757586 /nfs/dbraw/zinc/75/75/86/443757586.db2.gz CEAIVXOBGKZXTK-UHFFFAOYSA-N 1 2 348.447 1.548 20 30 EDEDLO C=CCCCNC(=O)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000284124664 443765621 /nfs/dbraw/zinc/76/56/21/443765621.db2.gz WOVXMQMQRBHJEY-UHFFFAOYSA-N 1 2 328.416 1.933 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000284329033 443772606 /nfs/dbraw/zinc/77/26/06/443772606.db2.gz MONVEXLKNSXEGN-HNNXBMFYSA-N 1 2 344.390 1.799 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000284489712 443776562 /nfs/dbraw/zinc/77/65/62/443776562.db2.gz CMEMGVZSIQHUFJ-CVEARBPZSA-N 1 2 327.388 1.907 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000284489712 443776566 /nfs/dbraw/zinc/77/65/66/443776566.db2.gz CMEMGVZSIQHUFJ-CVEARBPZSA-N 1 2 327.388 1.907 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000284602523 443780765 /nfs/dbraw/zinc/78/07/65/443780765.db2.gz LLENTBDVHMNOPL-CVEARBPZSA-N 1 2 327.388 1.978 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000284602523 443780770 /nfs/dbraw/zinc/78/07/70/443780770.db2.gz LLENTBDVHMNOPL-CVEARBPZSA-N 1 2 327.388 1.978 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000288242519 443817128 /nfs/dbraw/zinc/81/71/28/443817128.db2.gz SGFULYDLXTYYCM-IEBWSBKVSA-N 1 2 343.471 1.983 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](CCC(=O)OCC)Cc2cccnc2)C1=O ZINC000281184130 443841353 /nfs/dbraw/zinc/84/13/53/443841353.db2.gz BDIZGQVXOSPPGG-MRXNPFEDSA-N 1 2 331.416 1.624 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](CCC(=O)OCC)Cc2cccnc2)C1=O ZINC000281184130 443841357 /nfs/dbraw/zinc/84/13/57/443841357.db2.gz BDIZGQVXOSPPGG-MRXNPFEDSA-N 1 2 331.416 1.624 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCc2ccc(F)cc2)C1=O ZINC000281335055 443883155 /nfs/dbraw/zinc/88/31/55/443883155.db2.gz MDGDJMIDSWZEAB-CJNGLKHVSA-N 1 2 333.407 1.549 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCc2ccc(F)cc2)C1=O ZINC000281335055 443883161 /nfs/dbraw/zinc/88/31/61/443883161.db2.gz MDGDJMIDSWZEAB-CJNGLKHVSA-N 1 2 333.407 1.549 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc(OC)c1O ZINC000292874124 443866418 /nfs/dbraw/zinc/86/64/18/443866418.db2.gz WTEKVTKYGYPNOZ-CYBMUJFWSA-N 1 2 339.457 1.996 20 30 EDEDLO C=CCc1cc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc(OC)c1O ZINC000292874124 443866421 /nfs/dbraw/zinc/86/64/21/443866421.db2.gz WTEKVTKYGYPNOZ-CYBMUJFWSA-N 1 2 339.457 1.996 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)C1=O ZINC000281287491 443869913 /nfs/dbraw/zinc/86/99/13/443869913.db2.gz JALVOAMNXFHWSV-XJKSGUPXSA-N 1 2 326.400 1.604 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)C1=O ZINC000281287491 443869919 /nfs/dbraw/zinc/86/99/19/443869919.db2.gz JALVOAMNXFHWSV-XJKSGUPXSA-N 1 2 326.400 1.604 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)C1=O ZINC000281301473 443873568 /nfs/dbraw/zinc/87/35/68/443873568.db2.gz JXIYXRNLJAQBBN-HKUYNNGSSA-N 1 2 341.455 1.973 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)C1=O ZINC000281301473 443873572 /nfs/dbraw/zinc/87/35/72/443873572.db2.gz JXIYXRNLJAQBBN-HKUYNNGSSA-N 1 2 341.455 1.973 20 30 EDEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000298989106 443922197 /nfs/dbraw/zinc/92/21/97/443922197.db2.gz PWDLODYOTWUNRG-KBPBESRZSA-N 1 2 340.445 1.002 20 30 EDEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000298989106 443922199 /nfs/dbraw/zinc/92/21/99/443922199.db2.gz PWDLODYOTWUNRG-KBPBESRZSA-N 1 2 340.445 1.002 20 30 EDEDLO C=C(C)CCc1noc([C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000285275956 443923213 /nfs/dbraw/zinc/92/32/13/443923213.db2.gz ZCTRKLCVQXLAJO-AWEZNQCLSA-N 1 2 334.420 1.226 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000293260855 443966006 /nfs/dbraw/zinc/96/60/06/443966006.db2.gz UJRNLDMAGSZWML-MRXNPFEDSA-N 1 2 339.399 1.529 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293260855 443966010 /nfs/dbraw/zinc/96/60/10/443966010.db2.gz UJRNLDMAGSZWML-MRXNPFEDSA-N 1 2 339.399 1.529 20 30 EDEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000285459968 443993020 /nfs/dbraw/zinc/99/30/20/443993020.db2.gz JPJZUDWGZGEVSI-QFBILLFUSA-N 1 2 345.443 1.510 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285366016 443957581 /nfs/dbraw/zinc/95/75/81/443957581.db2.gz AQYUNOGAYHGFMX-NUEKZKHPSA-N 1 2 347.415 1.022 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285366016 443957582 /nfs/dbraw/zinc/95/75/82/443957582.db2.gz AQYUNOGAYHGFMX-NUEKZKHPSA-N 1 2 347.415 1.022 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277749293 444036261 /nfs/dbraw/zinc/03/62/61/444036261.db2.gz LMFXYCWPQKFEKY-HUUCEWRRSA-N 1 2 328.478 1.475 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277749293 444036265 /nfs/dbraw/zinc/03/62/65/444036265.db2.gz LMFXYCWPQKFEKY-HUUCEWRRSA-N 1 2 328.478 1.475 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000299405261 444038444 /nfs/dbraw/zinc/03/84/44/444038444.db2.gz NFILKDBOCKIROK-UHFFFAOYSA-N 1 2 341.364 1.064 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000548691488 320892951 /nfs/dbraw/zinc/89/29/51/320892951.db2.gz QNASGGMKUHJVQF-UHFFFAOYSA-N 1 2 349.438 1.668 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)CCc2c(C)nc(SC)[nH]c2=O)CC1 ZINC000299293926 444008987 /nfs/dbraw/zinc/00/89/87/444008987.db2.gz BRNLQMXVISOMCA-UHFFFAOYSA-N 1 2 348.472 1.313 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285503311 444009050 /nfs/dbraw/zinc/00/90/50/444009050.db2.gz FKJKSBFLVSPTKA-OAHLLOKOSA-N 1 2 337.445 1.423 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285503311 444009054 /nfs/dbraw/zinc/00/90/54/444009054.db2.gz FKJKSBFLVSPTKA-OAHLLOKOSA-N 1 2 337.445 1.423 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN([C@H](C)c3nc(CC)no3)CC2)C1=O ZINC000282039405 444069489 /nfs/dbraw/zinc/06/94/89/444069489.db2.gz QTPUTPRBWAFNAZ-ZIAGYGMSSA-N 1 2 333.436 1.098 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4nncn4c3)CC2)cc1 ZINC000299544295 444074934 /nfs/dbraw/zinc/07/49/34/444074934.db2.gz JPDUTVCSJAIWRV-UHFFFAOYSA-N 1 2 346.394 1.559 20 30 EDEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000563419941 321110231 /nfs/dbraw/zinc/11/02/31/321110231.db2.gz FRVFKEBQGIVDJZ-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)C1=O ZINC000282122669 444092016 /nfs/dbraw/zinc/09/20/16/444092016.db2.gz XWRXUQAUDVLCNQ-SQNIBIBYSA-N 1 2 330.428 1.598 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)C1=O ZINC000282122669 444092021 /nfs/dbraw/zinc/09/20/21/444092021.db2.gz XWRXUQAUDVLCNQ-SQNIBIBYSA-N 1 2 330.428 1.598 20 30 EDEDLO COc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1C#N ZINC000285773839 444103268 /nfs/dbraw/zinc/10/32/68/444103268.db2.gz YDBAZEBCMNFTMQ-OAHLLOKOSA-N 1 2 337.445 1.423 20 30 EDEDLO COc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1C#N ZINC000285773839 444103271 /nfs/dbraw/zinc/10/32/71/444103271.db2.gz YDBAZEBCMNFTMQ-OAHLLOKOSA-N 1 2 337.445 1.423 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@](C)(C(=O)OC)C1 ZINC000282317048 444147028 /nfs/dbraw/zinc/14/70/28/444147028.db2.gz HLIZNHGFRQZPOR-CDHAZOANSA-N 1 2 330.384 1.903 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@](C)(C(=O)OC)C1 ZINC000282317048 444147032 /nfs/dbraw/zinc/14/70/32/444147032.db2.gz HLIZNHGFRQZPOR-CDHAZOANSA-N 1 2 330.384 1.903 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C#N)n3)C2)CC1 ZINC000302714757 444220772 /nfs/dbraw/zinc/22/07/72/444220772.db2.gz IZCZVEDLWKSWTC-CYBMUJFWSA-N 1 2 330.392 1.078 20 30 EDEDLO C=CCCCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000289642872 444185592 /nfs/dbraw/zinc/18/55/92/444185592.db2.gz DMMZYSINMIEJCQ-UHFFFAOYSA-N 1 2 329.444 1.722 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000295506701 444187024 /nfs/dbraw/zinc/18/70/24/444187024.db2.gz HOPJXWOCRHXFNC-SJLPKXTDSA-N 1 2 345.443 1.632 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCOC[C@H](O)C2)c1 ZINC000295506701 444187025 /nfs/dbraw/zinc/18/70/25/444187025.db2.gz HOPJXWOCRHXFNC-SJLPKXTDSA-N 1 2 345.443 1.632 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296679101 444247286 /nfs/dbraw/zinc/24/72/86/444247286.db2.gz LGNDNQLXTRCALX-JSGCOSHPSA-N 1 2 330.388 1.658 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296679101 444247288 /nfs/dbraw/zinc/24/72/88/444247288.db2.gz LGNDNQLXTRCALX-JSGCOSHPSA-N 1 2 330.388 1.658 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCN(C=O)CC2)cc1C ZINC000297581891 444304032 /nfs/dbraw/zinc/30/40/32/444304032.db2.gz IOHWBMGZVPORQC-UHFFFAOYSA-N 1 2 342.443 1.714 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCN(C=O)CC2)cc1C ZINC000297581891 444304033 /nfs/dbraw/zinc/30/40/33/444304033.db2.gz IOHWBMGZVPORQC-UHFFFAOYSA-N 1 2 342.443 1.714 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000290440791 444281258 /nfs/dbraw/zinc/28/12/58/444281258.db2.gz RULGHEGNCLVYPP-CPUCHLNUSA-N 1 2 338.473 1.953 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000290440791 444281259 /nfs/dbraw/zinc/28/12/59/444281259.db2.gz RULGHEGNCLVYPP-CPUCHLNUSA-N 1 2 338.473 1.953 20 30 EDEDLO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000297297097 444281472 /nfs/dbraw/zinc/28/14/72/444281472.db2.gz HHSOYBKWQLBURM-OAHLLOKOSA-N 1 2 344.463 1.526 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000290454466 444282542 /nfs/dbraw/zinc/28/25/42/444282542.db2.gz XSNLGRVFXYFWQW-IBGZPJMESA-N 1 2 348.443 1.675 20 30 EDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](CO)c1ccccc1 ZINC000290508027 444289255 /nfs/dbraw/zinc/28/92/55/444289255.db2.gz YKKJNPSDERQQHG-INIZCTEOSA-N 1 2 345.424 1.392 20 30 EDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](CO)c1ccccc1 ZINC000290508027 444289258 /nfs/dbraw/zinc/28/92/58/444289258.db2.gz YKKJNPSDERQQHG-INIZCTEOSA-N 1 2 345.424 1.392 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000337675375 444345719 /nfs/dbraw/zinc/34/57/19/444345719.db2.gz LENWHRWXCDEELF-KRWDZBQOSA-N 1 2 342.443 1.411 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000337675375 444345723 /nfs/dbraw/zinc/34/57/23/444345723.db2.gz LENWHRWXCDEELF-KRWDZBQOSA-N 1 2 342.443 1.411 20 30 EDEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](O)C1)C1CCCCC1 ZINC000328787266 444352404 /nfs/dbraw/zinc/35/24/04/444352404.db2.gz OWCFVPQKZHLNEB-GJZGRUSLSA-N 1 2 334.420 1.451 20 30 EDEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](O)C1)C1CCCCC1 ZINC000328787266 444352409 /nfs/dbraw/zinc/35/24/09/444352409.db2.gz OWCFVPQKZHLNEB-GJZGRUSLSA-N 1 2 334.420 1.451 20 30 EDEDLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000328822604 444364398 /nfs/dbraw/zinc/36/43/98/444364398.db2.gz IDHHRTPDVCBNBC-CYBMUJFWSA-N 1 2 333.436 1.004 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1COCCN1C)c1ccc(F)cc1 ZINC000328934953 444411097 /nfs/dbraw/zinc/41/10/97/444411097.db2.gz FKJSCPQBWWXTEZ-CABCVRRESA-N 1 2 332.379 1.936 20 30 EDEDLO Cc1cn2cc(NC(=O)N3CC[C@H]4[C@@H](C3)NC(=O)N4C)ccc2[nH+]1 ZINC000328948729 444418635 /nfs/dbraw/zinc/41/86/35/444418635.db2.gz MZJQFQDALQDNKC-OLZOCXBDSA-N 1 2 328.376 1.491 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000331165899 444426709 /nfs/dbraw/zinc/42/67/09/444426709.db2.gz SNUKILWKFVWQSI-NWDGAFQWSA-N 1 2 338.383 1.503 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000331165899 444426711 /nfs/dbraw/zinc/42/67/11/444426711.db2.gz SNUKILWKFVWQSI-NWDGAFQWSA-N 1 2 338.383 1.503 20 30 EDEDLO CC[C@@H](CC#N)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000331082936 444387288 /nfs/dbraw/zinc/38/72/88/444387288.db2.gz ZXELMJKEYKEOQC-ZDUSSCGKSA-N 1 2 344.419 1.487 20 30 EDEDLO CC(C)C[C@H](CNC(=O)[C@H]1CCc2[nH]nnc2C1)[NH+]1CCOCC1 ZINC000328897366 444392481 /nfs/dbraw/zinc/39/24/81/444392481.db2.gz CQDWGQMMXTZGCY-UONOGXRCSA-N 1 2 335.452 1.613 20 30 EDEDLO CC(C)C[C@H](CNC(=O)[C@H]1CCc2nn[nH]c2C1)[NH+]1CCOCC1 ZINC000328897366 444392484 /nfs/dbraw/zinc/39/24/84/444392484.db2.gz CQDWGQMMXTZGCY-UONOGXRCSA-N 1 2 335.452 1.613 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000328899854 444393548 /nfs/dbraw/zinc/39/35/48/444393548.db2.gz XSTGKNTXLXBOJO-CFVMTHIKSA-N 1 2 347.415 1.795 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000328899854 444393550 /nfs/dbraw/zinc/39/35/50/444393550.db2.gz XSTGKNTXLXBOJO-CFVMTHIKSA-N 1 2 347.415 1.795 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)NC[C@@H]2CCOC2)C1 ZINC000328616999 444396158 /nfs/dbraw/zinc/39/61/58/444396158.db2.gz CGKQEHBBCRIPTK-UONOGXRCSA-N 1 2 334.420 1.551 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+]1C[C@H](C)O ZINC000331240083 444454817 /nfs/dbraw/zinc/45/48/17/444454817.db2.gz WPMJMEVVXYPOPK-NWDGAFQWSA-N 1 2 343.474 1.085 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1C[C@H](C)O ZINC000331240083 444454821 /nfs/dbraw/zinc/45/48/21/444454821.db2.gz WPMJMEVVXYPOPK-NWDGAFQWSA-N 1 2 343.474 1.085 20 30 EDEDLO C[C@@H]1CCC[C@H](CNC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000331256608 444458438 /nfs/dbraw/zinc/45/84/38/444458438.db2.gz ZUHANZHKKKVEDI-QLFBSQMISA-N 1 2 340.468 1.895 20 30 EDEDLO C[C@@H]1CCC[C@H](CNC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000331256608 444458440 /nfs/dbraw/zinc/45/84/40/444458440.db2.gz ZUHANZHKKKVEDI-QLFBSQMISA-N 1 2 340.468 1.895 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cn(C)nc1C(F)(F)F 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/nfs/dbraw/zinc/63/50/24/444635024.db2.gz AYZPXHRVYVBNRB-SFHVURJKSA-N 1 2 332.448 1.131 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000333060169 444635030 /nfs/dbraw/zinc/63/50/30/444635030.db2.gz AYZPXHRVYVBNRB-SFHVURJKSA-N 1 2 332.448 1.131 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000329603167 444644247 /nfs/dbraw/zinc/64/42/47/444644247.db2.gz LEOJROOPKTVDMT-OPQQBVKSSA-N 1 2 346.353 1.816 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000329603167 444644249 /nfs/dbraw/zinc/64/42/49/444644249.db2.gz LEOJROOPKTVDMT-OPQQBVKSSA-N 1 2 346.353 1.816 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3noc4c3CCCC4)C[C@H]21 ZINC000329692924 444681905 /nfs/dbraw/zinc/68/19/05/444681905.db2.gz CHYOWFXFEDCMTJ-GDBMZVCRSA-N 1 2 334.420 1.372 20 30 EDEDLO Cc1nn(-c2ccccc2)cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329702239 444686175 /nfs/dbraw/zinc/68/61/75/444686175.db2.gz HZYMBCVKYWYOGT-DLBZAZTESA-N 1 2 341.415 1.741 20 30 EDEDLO Cc1nn(-c2ccccc2)cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329702239 444686178 /nfs/dbraw/zinc/68/61/78/444686178.db2.gz HZYMBCVKYWYOGT-DLBZAZTESA-N 1 2 341.415 1.741 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000329906032 444762173 /nfs/dbraw/zinc/76/21/73/444762173.db2.gz JVRCUDNDVLSLRM-UHFFFAOYSA-N 1 2 347.341 1.932 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000329906032 444762175 /nfs/dbraw/zinc/76/21/75/444762175.db2.gz JVRCUDNDVLSLRM-UHFFFAOYSA-N 1 2 347.341 1.932 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCNC(=O)C2)cn1 ZINC000329986426 444800641 /nfs/dbraw/zinc/80/06/41/444800641.db2.gz RUWDVSJPXLISPK-IHRRRGAJSA-N 1 2 337.399 1.656 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCNC(=O)C2)cn1 ZINC000329986426 444800646 /nfs/dbraw/zinc/80/06/46/444800646.db2.gz RUWDVSJPXLISPK-IHRRRGAJSA-N 1 2 337.399 1.656 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000336916373 444850827 /nfs/dbraw/zinc/85/08/27/444850827.db2.gz NESDMRAMDVBUAT-UHFFFAOYSA-N 1 2 342.490 1.176 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000336916373 444850829 /nfs/dbraw/zinc/85/08/29/444850829.db2.gz NESDMRAMDVBUAT-UHFFFAOYSA-N 1 2 342.490 1.176 20 30 EDEDLO CCOC(=O)[C@H](NCc1c[nH+]c2ccc(C#N)cn12)C1CCOCC1 ZINC000342798180 444871429 /nfs/dbraw/zinc/87/14/29/444871429.db2.gz RYCVQYYYFUFZMQ-QGZVFWFLSA-N 1 2 342.399 1.654 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1 ZINC000342869181 444904716 /nfs/dbraw/zinc/90/47/16/444904716.db2.gz UOYNFMMHEPNOCG-OAHLLOKOSA-N 1 2 343.431 1.293 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)c1 ZINC000342869181 444904719 /nfs/dbraw/zinc/90/47/19/444904719.db2.gz UOYNFMMHEPNOCG-OAHLLOKOSA-N 1 2 343.431 1.293 20 30 EDEDLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)n1cnc(C#N)n1 ZINC000337063977 444925546 /nfs/dbraw/zinc/92/55/46/444925546.db2.gz VHWPYELBRGYLRD-QWHCGFSZSA-N 1 2 344.444 1.678 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3nc4c(s3)CCCC4)C[C@H]21 ZINC000330344010 444945294 /nfs/dbraw/zinc/94/52/94/444945294.db2.gz CLMUQZLTWICEFC-OLZOCXBDSA-N 1 2 336.461 1.625 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3nc4c(s3)CCCC4)C[C@H]21 ZINC000330344010 444945296 /nfs/dbraw/zinc/94/52/96/444945296.db2.gz CLMUQZLTWICEFC-OLZOCXBDSA-N 1 2 336.461 1.625 20 30 EDEDLO COC(=O)[C@]1(C)CN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000330406650 444968831 /nfs/dbraw/zinc/96/88/31/444968831.db2.gz IMABIEDWIPJKQE-VWPFQQQWSA-N 1 2 341.452 1.141 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccc3nnn(C)c3c2)CCO1 ZINC000330324376 444937302 /nfs/dbraw/zinc/93/73/02/444937302.db2.gz IJVKYCSXHQLSKR-WBMJQRKESA-N 1 2 340.387 1.927 20 30 EDEDLO CCN1CCN(C(=O)Nc2cnc(N(C)C)nc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330325550 444937855 /nfs/dbraw/zinc/93/78/55/444937855.db2.gz JJORXYSMZPSOLQ-ZDUSSCGKSA-N 1 2 344.423 1.190 20 30 EDEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000330467616 444993249 /nfs/dbraw/zinc/99/32/49/444993249.db2.gz SPSPSTPNLCYHPG-LBPRGKRZSA-N 1 2 334.424 1.356 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)C1=O ZINC000337279926 445013268 /nfs/dbraw/zinc/01/32/68/445013268.db2.gz UVXYRIQHNFVAQV-DOTOQJQBSA-N 1 2 329.444 1.925 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)C1=O ZINC000337279926 445013270 /nfs/dbraw/zinc/01/32/70/445013270.db2.gz UVXYRIQHNFVAQV-DOTOQJQBSA-N 1 2 329.444 1.925 20 30 EDEDLO Cn1cc([C@@H]2CCCC[N@@H+]2CC(=O)NC(=O)NCC(F)(F)F)cn1 ZINC000330516528 445014746 /nfs/dbraw/zinc/01/47/46/445014746.db2.gz WNFRNFOYNMKPEQ-NSHDSACASA-N 1 2 347.341 1.540 20 30 EDEDLO Cn1cc([C@@H]2CCCC[N@H+]2CC(=O)NC(=O)NCC(F)(F)F)cn1 ZINC000330516528 445014747 /nfs/dbraw/zinc/01/47/47/445014747.db2.gz WNFRNFOYNMKPEQ-NSHDSACASA-N 1 2 347.341 1.540 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337432898 445078543 /nfs/dbraw/zinc/07/85/43/445078543.db2.gz GNIBCKFQHJHWLH-AWEZNQCLSA-N 1 2 346.431 1.150 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337432898 445078544 /nfs/dbraw/zinc/07/85/44/445078544.db2.gz GNIBCKFQHJHWLH-AWEZNQCLSA-N 1 2 346.431 1.150 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000330770296 445134226 /nfs/dbraw/zinc/13/42/26/445134226.db2.gz ULTVFJWKCYSCMY-CHWSQXEVSA-N 1 2 326.441 1.052 20 30 EDEDLO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000344706181 445134250 /nfs/dbraw/zinc/13/42/50/445134250.db2.gz IQTGFXQWMMCHJC-STQMWFEESA-N 1 2 335.429 1.322 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000330770296 445134230 /nfs/dbraw/zinc/13/42/30/445134230.db2.gz ULTVFJWKCYSCMY-CHWSQXEVSA-N 1 2 326.441 1.052 20 30 EDEDLO CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000344706181 445134254 /nfs/dbraw/zinc/13/42/54/445134254.db2.gz IQTGFXQWMMCHJC-STQMWFEESA-N 1 2 335.429 1.322 20 30 EDEDLO C[C@@](O)(CNC(=O)c1cc(F)c(F)c(O)c1F)C[NH+]1CCOCC1 ZINC000330780267 445137423 /nfs/dbraw/zinc/13/74/23/445137423.db2.gz XADFMNGMIVOVMQ-OAHLLOKOSA-N 1 2 348.321 1.197 20 30 EDEDLO C=C1CC[NH+](CC(=O)NCc2cc(OC)c(OC)cc2OC)CC1 ZINC000341999982 445116602 /nfs/dbraw/zinc/11/66/02/445116602.db2.gz XDDUYMOHCVZCSC-UHFFFAOYSA-N 1 2 334.416 1.981 20 30 EDEDLO CCCN(CC#N)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339265346 445124563 /nfs/dbraw/zinc/12/45/63/445124563.db2.gz OYIVWMXPGHAVJE-MRXNPFEDSA-N 1 2 345.447 1.779 20 30 EDEDLO CCCN(CC#N)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339265346 445124567 /nfs/dbraw/zinc/12/45/67/445124567.db2.gz OYIVWMXPGHAVJE-MRXNPFEDSA-N 1 2 345.447 1.779 20 30 EDEDLO CC(C)[C@H](C)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330751701 445126279 /nfs/dbraw/zinc/12/62/79/445126279.db2.gz ZNGMRORIUNFWJE-ZDUSSCGKSA-N 1 2 333.436 1.840 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000339899674 445182022 /nfs/dbraw/zinc/18/20/22/445182022.db2.gz SJBOJCUUUKYXCR-UHFFFAOYSA-N 1 2 330.432 1.723 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000343305578 445190932 /nfs/dbraw/zinc/19/09/32/445190932.db2.gz KLZXGRJITYDRJZ-UHFFFAOYSA-N 1 2 346.412 1.428 20 30 EDEDLO O=C(C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1)NC(=O)Nc1ccccc1 ZINC000330792680 445143589 /nfs/dbraw/zinc/14/35/89/445143589.db2.gz CBKDJSQCPWWTMI-AWEZNQCLSA-N 1 2 345.321 1.738 20 30 EDEDLO O=C(C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1)NC(=O)Nc1ccccc1 ZINC000330792680 445143596 /nfs/dbraw/zinc/14/35/96/445143596.db2.gz CBKDJSQCPWWTMI-AWEZNQCLSA-N 1 2 345.321 1.738 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000339643773 445157103 /nfs/dbraw/zinc/15/71/03/445157103.db2.gz BEFHENOLTUGLFX-KRWDZBQOSA-N 1 2 345.443 1.038 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000339643773 445157107 /nfs/dbraw/zinc/15/71/07/445157107.db2.gz BEFHENOLTUGLFX-KRWDZBQOSA-N 1 2 345.443 1.038 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000348367670 445269084 /nfs/dbraw/zinc/26/90/84/445269084.db2.gz SHLLDMVEEQBECD-HZPDHXFCSA-N 1 2 331.464 1.677 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000348367670 445269089 /nfs/dbraw/zinc/26/90/89/445269089.db2.gz SHLLDMVEEQBECD-HZPDHXFCSA-N 1 2 331.464 1.677 20 30 EDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000348543737 445321733 /nfs/dbraw/zinc/32/17/33/445321733.db2.gz MGAOHHVOLHQKIV-AWEZNQCLSA-N 1 2 331.416 1.741 20 30 EDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000348543737 445321735 /nfs/dbraw/zinc/32/17/35/445321735.db2.gz MGAOHHVOLHQKIV-AWEZNQCLSA-N 1 2 331.416 1.741 20 30 EDEDLO CCOC(=O)[C@H]([NH2+]CCOc1ccc(C#N)cc1)C1CCOCC1 ZINC000348769222 445371822 /nfs/dbraw/zinc/37/18/22/445371822.db2.gz DAIDOCJSLLQZIT-QGZVFWFLSA-N 1 2 332.400 1.885 20 30 EDEDLO CN(C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C)C(=O)CSCC#N ZINC000351928131 445381622 /nfs/dbraw/zinc/38/16/22/445381622.db2.gz GAWZCHKSDQFUKE-OLZOCXBDSA-N 1 2 339.440 1.048 20 30 EDEDLO CCOC(=O)[C@H]([NH2+]CCOc1cccc(C#N)c1)[C@@H]1CCCOC1 ZINC000359804360 445437016 /nfs/dbraw/zinc/43/70/16/445437016.db2.gz ZMQNQLPALIUKHC-NVXWUHKLSA-N 1 2 332.400 1.885 20 30 EDEDLO C=C(C)C[N@@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1ccc(CO)o1 ZINC000352807717 445557234 /nfs/dbraw/zinc/55/72/34/445557234.db2.gz XKPZWBKLBCKVOP-GASCZTMLSA-N 1 2 336.432 1.786 20 30 EDEDLO C=C(C)C[N@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)Cc1ccc(CO)o1 ZINC000352807717 445557237 /nfs/dbraw/zinc/55/72/37/445557237.db2.gz XKPZWBKLBCKVOP-GASCZTMLSA-N 1 2 336.432 1.786 20 30 EDEDLO C=CCNC(=O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC000353164403 445578141 /nfs/dbraw/zinc/57/81/41/445578141.db2.gz GMBMKTXEZSTECZ-WDEREUQCSA-N 1 2 336.354 1.741 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC000353164403 445578145 /nfs/dbraw/zinc/57/81/45/445578145.db2.gz GMBMKTXEZSTECZ-WDEREUQCSA-N 1 2 336.354 1.741 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000357806787 445584055 /nfs/dbraw/zinc/58/40/55/445584055.db2.gz NPWPFYFHGPHGNL-OAHLLOKOSA-N 1 2 337.383 1.400 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000357806787 445584059 /nfs/dbraw/zinc/58/40/59/445584059.db2.gz NPWPFYFHGPHGNL-OAHLLOKOSA-N 1 2 337.383 1.400 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000357306474 445538590 /nfs/dbraw/zinc/53/85/90/445538590.db2.gz LOIDSGMHNXBPHG-UHFFFAOYSA-N 1 2 328.416 1.120 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000357306474 445538595 /nfs/dbraw/zinc/53/85/95/445538595.db2.gz LOIDSGMHNXBPHG-UHFFFAOYSA-N 1 2 328.416 1.120 20 30 EDEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000360050461 445545719 /nfs/dbraw/zinc/54/57/19/445545719.db2.gz BJMBQJUKPYPDRQ-UHFFFAOYSA-N 1 2 336.373 1.007 20 30 EDEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000360050461 445545723 /nfs/dbraw/zinc/54/57/23/445545723.db2.gz BJMBQJUKPYPDRQ-UHFFFAOYSA-N 1 2 336.373 1.007 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352683484 445548272 /nfs/dbraw/zinc/54/82/72/445548272.db2.gz AZRANTGFZBSAGY-BZPMIXESSA-N 1 2 335.370 1.534 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352683484 445548277 /nfs/dbraw/zinc/54/82/77/445548277.db2.gz AZRANTGFZBSAGY-BZPMIXESSA-N 1 2 335.370 1.534 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000349512192 445601351 /nfs/dbraw/zinc/60/13/51/445601351.db2.gz XAUKKUNJEZEZKT-WMLDXEAASA-N 1 2 326.400 1.077 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000349512192 445601354 /nfs/dbraw/zinc/60/13/54/445601354.db2.gz XAUKKUNJEZEZKT-WMLDXEAASA-N 1 2 326.400 1.077 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000349550227 445610480 /nfs/dbraw/zinc/61/04/80/445610480.db2.gz ZSRAJLVQMYZKKM-KRWDZBQOSA-N 1 2 326.400 1.031 20 30 EDEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)C3CCC3)CC2)c1 ZINC000360194710 445621921 /nfs/dbraw/zinc/62/19/21/445621921.db2.gz PZZPEZHJBFVWTB-UHFFFAOYSA-N 1 2 340.427 1.877 20 30 EDEDLO N#Cc1c(C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)cn2ccccc12 ZINC000363005739 445647176 /nfs/dbraw/zinc/64/71/76/445647176.db2.gz LXDAXDYUOVZBLV-UHFFFAOYSA-N 1 2 334.383 1.629 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000349749606 445664836 /nfs/dbraw/zinc/66/48/36/445664836.db2.gz RPGLROQOAZSQEN-UHFFFAOYSA-N 1 2 333.432 1.124 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(OC)cc2OC)CC1 ZINC000349749606 445664838 /nfs/dbraw/zinc/66/48/38/445664838.db2.gz RPGLROQOAZSQEN-UHFFFAOYSA-N 1 2 333.432 1.124 20 30 EDEDLO C[C@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1cccc(C#N)c1 ZINC000360303229 445686918 /nfs/dbraw/zinc/68/69/18/445686918.db2.gz NOJRSZIHEDTSJX-ZDUSSCGKSA-N 1 2 328.416 1.070 20 30 EDEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCn2cc[nH+]c2)n1 ZINC000358712900 445735595 /nfs/dbraw/zinc/73/55/95/445735595.db2.gz RMWJLTVCLLCKHJ-UHFFFAOYSA-N 1 2 339.334 1.901 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000356355512 445750509 /nfs/dbraw/zinc/75/05/09/445750509.db2.gz LOXALOZWDSMYEW-OAHLLOKOSA-N 1 2 342.443 1.953 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000356355512 445750513 /nfs/dbraw/zinc/75/05/13/445750513.db2.gz LOXALOZWDSMYEW-OAHLLOKOSA-N 1 2 342.443 1.953 20 30 EDEDLO N#Cc1cccc(CNC(=O)CN2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000358861543 445816314 /nfs/dbraw/zinc/81/63/14/445816314.db2.gz OOADGVSDOBQSKY-UHFFFAOYSA-N 1 2 349.438 1.387 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)cc1 ZINC000369062769 445904294 /nfs/dbraw/zinc/90/42/94/445904294.db2.gz IMIUQVAKTZUYTN-KRWDZBQOSA-N 1 2 340.427 1.165 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](NC(=O)C3CCC3)C2)cc1 ZINC000369062769 445904298 /nfs/dbraw/zinc/90/42/98/445904298.db2.gz IMIUQVAKTZUYTN-KRWDZBQOSA-N 1 2 340.427 1.165 20 30 EDEDLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)CC2(C#N)CCC2)C[C@H](C)O1 ZINC000354104315 445905935 /nfs/dbraw/zinc/90/59/35/445905935.db2.gz NFFUHMSGFXZYET-KBPBESRZSA-N 1 2 343.493 1.487 20 30 EDEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000350835672 445922813 /nfs/dbraw/zinc/92/28/13/445922813.db2.gz SLCVVIUTPTXQQG-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000350835672 445922822 /nfs/dbraw/zinc/92/28/22/445922822.db2.gz SLCVVIUTPTXQQG-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C[N@@H+](Cc1cn2c(n1)CCCC2)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000372989892 445964381 /nfs/dbraw/zinc/96/43/81/445964381.db2.gz NDXVFASMJXMTSW-QGZVFWFLSA-N 1 2 340.427 1.963 20 30 EDEDLO C[N@H+](Cc1cn2c(n1)CCCC2)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000372989892 445964386 /nfs/dbraw/zinc/96/43/86/445964386.db2.gz NDXVFASMJXMTSW-QGZVFWFLSA-N 1 2 340.427 1.963 20 30 EDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000372989892 445964392 /nfs/dbraw/zinc/96/43/92/445964392.db2.gz NDXVFASMJXMTSW-QGZVFWFLSA-N 1 2 340.427 1.963 20 30 EDEDLO N#Cc1ccc(CN2CC[N@@H+](C[C@H]3CC4(CC4)C(=O)O3)CC2=O)cc1 ZINC000373034750 445987225 /nfs/dbraw/zinc/98/72/25/445987225.db2.gz JNNYDASGMHOXKP-MRXNPFEDSA-N 1 2 339.395 1.298 20 30 EDEDLO N#Cc1ccc(CN2CC[N@H+](C[C@H]3CC4(CC4)C(=O)O3)CC2=O)cc1 ZINC000373034750 445987229 /nfs/dbraw/zinc/98/72/29/445987229.db2.gz JNNYDASGMHOXKP-MRXNPFEDSA-N 1 2 339.395 1.298 20 30 EDEDLO C[C@@H]1CN(C(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)C[C@@H](C)O1 ZINC000369205319 445993291 /nfs/dbraw/zinc/99/32/91/445993291.db2.gz JEGLZJCKKUVXDB-HZPDHXFCSA-N 1 2 342.443 1.575 20 30 EDEDLO N#Cc1ccc(SCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000366070477 445994201 /nfs/dbraw/zinc/99/42/01/445994201.db2.gz BPYQGJLLOWYNPZ-OAHLLOKOSA-N 1 2 331.441 1.583 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)C3(C#N)CCC3)CC2)no1 ZINC000369580331 446133490 /nfs/dbraw/zinc/13/34/90/446133490.db2.gz RCKIMIVDMYQZQR-CQSZACIVSA-N 1 2 331.420 1.885 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)C3(C#N)CCC3)CC2)no1 ZINC000369580331 446133498 /nfs/dbraw/zinc/13/34/98/446133498.db2.gz RCKIMIVDMYQZQR-CQSZACIVSA-N 1 2 331.420 1.885 20 30 EDEDLO C=CCOCCCC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351536789 446137565 /nfs/dbraw/zinc/13/75/65/446137565.db2.gz SDIUNEZTFGRODM-HOTGVXAUSA-N 1 2 338.427 1.432 20 30 EDEDLO C=CCOCCCC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351536789 446137571 /nfs/dbraw/zinc/13/75/71/446137571.db2.gz SDIUNEZTFGRODM-HOTGVXAUSA-N 1 2 338.427 1.432 20 30 EDEDLO COc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000359274150 446111395 /nfs/dbraw/zinc/11/13/95/446111395.db2.gz AWGNVXXQGMQHMI-UHFFFAOYSA-N 1 2 326.356 1.513 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCn3cc[nH+]c32)cc1F ZINC000354324967 446114075 /nfs/dbraw/zinc/11/40/75/446114075.db2.gz DOPVJFUDIGUGQQ-LBPRGKRZSA-N 1 2 341.346 1.526 20 30 EDEDLO C#CCOc1ccccc1C[N@@H+]1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000362012336 446151992 /nfs/dbraw/zinc/15/19/92/446151992.db2.gz NSRYDODRCMXXKT-HNNXBMFYSA-N 1 2 327.384 1.167 20 30 EDEDLO C#CCOc1ccccc1C[N@H+]1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000362012336 446151997 /nfs/dbraw/zinc/15/19/97/446151997.db2.gz NSRYDODRCMXXKT-HNNXBMFYSA-N 1 2 327.384 1.167 20 30 EDEDLO COC(=O)[C@@H](c1ccsc1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373402285 446202579 /nfs/dbraw/zinc/20/25/79/446202579.db2.gz IDZXLEBXKRIQGY-CQSZACIVSA-N 1 2 331.401 1.762 20 30 EDEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000410713033 446336849 /nfs/dbraw/zinc/33/68/49/446336849.db2.gz HNLORKJAYZVQFW-UHFFFAOYSA-N 1 2 329.444 1.755 20 30 EDEDLO CC(C)C[C@@H](C(N)=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000411129703 446406140 /nfs/dbraw/zinc/40/61/40/446406140.db2.gz VICVOJDVRIGKCC-KRWDZBQOSA-N 1 2 342.443 1.350 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1)C1(C#N)CCCCC1 ZINC000367142990 446513132 /nfs/dbraw/zinc/51/31/32/446513132.db2.gz DBUIQKITDHDMEG-GOSISDBHSA-N 1 2 335.448 1.553 20 30 EDEDLO CN(C(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1)C1(C#N)CCCCC1 ZINC000367142990 446513136 /nfs/dbraw/zinc/51/31/36/446513136.db2.gz DBUIQKITDHDMEG-GOSISDBHSA-N 1 2 335.448 1.553 20 30 EDEDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000433242081 446552374 /nfs/dbraw/zinc/55/23/74/446552374.db2.gz ABZGIINDUXHDPD-OAHLLOKOSA-N 1 2 330.388 1.826 20 30 EDEDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000433242081 446552380 /nfs/dbraw/zinc/55/23/80/446552380.db2.gz ABZGIINDUXHDPD-OAHLLOKOSA-N 1 2 330.388 1.826 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000376525746 446556317 /nfs/dbraw/zinc/55/63/17/446556317.db2.gz AZEDEZBUKJQDFV-AWEZNQCLSA-N 1 2 337.383 1.935 20 30 EDEDLO N#CCc1ccc(C(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)cc1 ZINC000371153382 446659315 /nfs/dbraw/zinc/65/93/15/446659315.db2.gz FUIKCBBJLWFGOI-UHFFFAOYSA-N 1 2 340.427 1.309 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000434998445 446670745 /nfs/dbraw/zinc/67/07/45/446670745.db2.gz AXOPNWMJGLKRIR-UHFFFAOYSA-N 1 2 327.428 1.771 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000411830543 446687305 /nfs/dbraw/zinc/68/73/05/446687305.db2.gz QSAKRZOAUYSVCW-OIISXLGYSA-N 1 2 349.500 1.666 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000411830543 446687311 /nfs/dbraw/zinc/68/73/11/446687311.db2.gz QSAKRZOAUYSVCW-OIISXLGYSA-N 1 2 349.500 1.666 20 30 EDEDLO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(C#N)cc1OC(F)F ZINC000437159502 446745380 /nfs/dbraw/zinc/74/53/80/446745380.db2.gz FVOUMRQVGQYAQM-UHFFFAOYSA-N 1 2 341.358 1.696 20 30 EDEDLO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#N)cc1OC(F)F ZINC000437159502 446745388 /nfs/dbraw/zinc/74/53/88/446745388.db2.gz FVOUMRQVGQYAQM-UHFFFAOYSA-N 1 2 341.358 1.696 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437902793 446771952 /nfs/dbraw/zinc/77/19/52/446771952.db2.gz QXIZPSXTTQPANM-GFCCVEGCSA-N 1 2 345.371 1.283 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437902793 446771959 /nfs/dbraw/zinc/77/19/59/446771959.db2.gz QXIZPSXTTQPANM-GFCCVEGCSA-N 1 2 345.371 1.283 20 30 EDEDLO COc1cc[nH+]cc1NC(=O)C(=O)N(CCC#N)Cc1ccccn1 ZINC000439606985 446823578 /nfs/dbraw/zinc/82/35/78/446823578.db2.gz NJQACKPALPHDAY-UHFFFAOYSA-N 1 2 339.355 1.366 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)s1 ZINC000368534721 446927944 /nfs/dbraw/zinc/92/79/44/446927944.db2.gz PFLQNKOZQVTZRS-NSHDSACASA-N 1 2 343.499 1.432 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000412355865 446944706 /nfs/dbraw/zinc/94/47/06/446944706.db2.gz LXPCVCRINCCGPG-KSSFIOAISA-N 1 2 333.432 1.462 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000412355865 446944714 /nfs/dbraw/zinc/94/47/14/446944714.db2.gz LXPCVCRINCCGPG-KSSFIOAISA-N 1 2 333.432 1.462 20 30 EDEDLO CC[C@](C)(C#N)C(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000375648578 446949014 /nfs/dbraw/zinc/94/90/14/446949014.db2.gz XSFRUIOPOUOQMY-MRXNPFEDSA-N 1 2 332.448 1.667 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000444740720 447135409 /nfs/dbraw/zinc/13/54/09/447135409.db2.gz XJLXBVBWXLXZDC-SOLBZPMBSA-N 1 2 349.427 1.153 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000444740720 447135414 /nfs/dbraw/zinc/13/54/14/447135414.db2.gz XJLXBVBWXLXZDC-SOLBZPMBSA-N 1 2 349.427 1.153 20 30 EDEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000375941733 447164341 /nfs/dbraw/zinc/16/43/41/447164341.db2.gz MPDSYGCICYBMHE-FIKIJFGZSA-N 1 2 325.459 1.791 20 30 EDEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000375941733 447164350 /nfs/dbraw/zinc/16/43/50/447164350.db2.gz MPDSYGCICYBMHE-FIKIJFGZSA-N 1 2 325.459 1.791 20 30 EDEDLO CC1(C)C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@]2(CCOC2)O1 ZINC000376017119 447212448 /nfs/dbraw/zinc/21/24/48/447212448.db2.gz BMYPEXREMSHUCF-SFHVURJKSA-N 1 2 326.400 1.976 20 30 EDEDLO CC1(C)C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@]2(CCOC2)O1 ZINC000376017119 447212451 /nfs/dbraw/zinc/21/24/51/447212451.db2.gz BMYPEXREMSHUCF-SFHVURJKSA-N 1 2 326.400 1.976 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000447833194 447293273 /nfs/dbraw/zinc/29/32/73/447293273.db2.gz NUBUQEADRALDGO-VNVHMNPZSA-N 1 2 329.400 1.353 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000447833194 447293281 /nfs/dbraw/zinc/29/32/81/447293281.db2.gz NUBUQEADRALDGO-VNVHMNPZSA-N 1 2 329.400 1.353 20 30 EDEDLO C=CCC[C@H]1NC(=O)N([C@H](C[NH+]2CCOCC2)c2ccccc2)C1=O ZINC000419922271 447492102 /nfs/dbraw/zinc/49/21/02/447492102.db2.gz JOMMIDSTWOJOMY-IAGOWNOFSA-N 1 2 343.427 1.947 20 30 EDEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422476327 447582139 /nfs/dbraw/zinc/58/21/39/447582139.db2.gz KVXGOYKMEUZZEM-UHFFFAOYSA-N 1 2 326.400 1.294 20 30 EDEDLO N#CCc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000450972403 447639305 /nfs/dbraw/zinc/63/93/05/447639305.db2.gz VZQIHVJRPZRNLW-UHFFFAOYSA-N 1 2 338.820 1.971 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000459459149 447674030 /nfs/dbraw/zinc/67/40/30/447674030.db2.gz RDTOUXJQGFWZAP-INIZCTEOSA-N 1 2 342.359 1.085 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000459459149 447674034 /nfs/dbraw/zinc/67/40/34/447674034.db2.gz RDTOUXJQGFWZAP-INIZCTEOSA-N 1 2 342.359 1.085 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000429227872 447736656 /nfs/dbraw/zinc/73/66/56/447736656.db2.gz APURJUSGXYQOFS-CQSZACIVSA-N 1 2 330.494 1.556 20 30 EDEDLO Cc1nn(C)c(N2CCN(Cc3c[nH+]c4ccc(C)cn34)CC2)c1C#N ZINC000471808429 447814497 /nfs/dbraw/zinc/81/44/97/447814497.db2.gz GNSWSFNRYQSQAW-UHFFFAOYSA-N 1 2 349.442 1.879 20 30 EDEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)C[C@H](C)O2 ZINC000430282550 447770009 /nfs/dbraw/zinc/77/00/09/447770009.db2.gz FPNISMQOFICHRX-QOIYZWAUSA-N 1 2 343.427 1.743 20 30 EDEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)C[C@H](C)O2 ZINC000430282550 447770011 /nfs/dbraw/zinc/77/00/11/447770011.db2.gz FPNISMQOFICHRX-QOIYZWAUSA-N 1 2 343.427 1.743 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000459872486 447771837 /nfs/dbraw/zinc/77/18/37/447771837.db2.gz VAMJLKBVCKKHNI-UHFFFAOYSA-N 1 2 330.413 1.502 20 30 EDEDLO C=CCN(C)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000430396251 447772886 /nfs/dbraw/zinc/77/28/86/447772886.db2.gz SOTZPFJHPNWQIF-UHFFFAOYSA-N 1 2 333.432 1.889 20 30 EDEDLO C=CCN(C)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000430396251 447772890 /nfs/dbraw/zinc/77/28/90/447772890.db2.gz SOTZPFJHPNWQIF-UHFFFAOYSA-N 1 2 333.432 1.889 20 30 EDEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(C#N)cc1OC ZINC000431604445 447810809 /nfs/dbraw/zinc/81/08/09/447810809.db2.gz NOEBUUQRRYSVRG-UHFFFAOYSA-N 1 2 333.369 1.449 20 30 EDEDLO C[C@H](CC(=O)OC1(C#N)CN(C(=O)OC(C)(C)C)C1)n1cc[nH+]c1 ZINC000496662397 447843435 /nfs/dbraw/zinc/84/34/35/447843435.db2.gz TYZKNHHXSIJDFA-GFCCVEGCSA-N 1 2 334.376 1.890 20 30 EDEDLO Cc1nc(N)c(CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c[nH+]1 ZINC000552020413 447927604 /nfs/dbraw/zinc/92/76/04/447927604.db2.gz WXXFHEBARIUCDX-INIZCTEOSA-N 1 2 339.399 1.959 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000491294372 447984294 /nfs/dbraw/zinc/98/42/94/447984294.db2.gz BGDBJOXLYSLJOV-CVEARBPZSA-N 1 2 342.374 1.692 20 30 EDEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000496869665 447986815 /nfs/dbraw/zinc/98/68/15/447986815.db2.gz DXIRVEBQLTZDTM-AWEZNQCLSA-N 1 2 336.436 1.538 20 30 EDEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000496869665 447986823 /nfs/dbraw/zinc/98/68/23/447986823.db2.gz DXIRVEBQLTZDTM-AWEZNQCLSA-N 1 2 336.436 1.538 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000491253887 447973504 /nfs/dbraw/zinc/97/35/04/447973504.db2.gz PXEBEORYAAUDDA-HNNXBMFYSA-N 1 2 329.425 1.737 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000491461683 448033250 /nfs/dbraw/zinc/03/32/50/448033250.db2.gz FIRVZCCVSLUQOW-CYBMUJFWSA-N 1 2 337.445 1.137 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000491461683 448033253 /nfs/dbraw/zinc/03/32/53/448033253.db2.gz FIRVZCCVSLUQOW-CYBMUJFWSA-N 1 2 337.445 1.137 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000576350926 448036111 /nfs/dbraw/zinc/03/61/11/448036111.db2.gz WCCMZIYDOZPTGU-GOSISDBHSA-N 1 2 340.383 1.850 20 30 EDEDLO COc1cc(CNc2nc(NCCO)c3ccccc3[nH+]2)ccc1C#N ZINC000570442684 448015386 /nfs/dbraw/zinc/01/53/86/448015386.db2.gz MMOBIJSOWYLYNJ-UHFFFAOYSA-N 1 2 349.394 1.370 20 30 EDEDLO C#CC(C)(C)[N@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491800554 448131023 /nfs/dbraw/zinc/13/10/23/448131023.db2.gz ADROGRQYJQNJGD-HNNXBMFYSA-N 1 2 340.489 1.288 20 30 EDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000491800554 448131026 /nfs/dbraw/zinc/13/10/26/448131026.db2.gz ADROGRQYJQNJGD-HNNXBMFYSA-N 1 2 340.489 1.288 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000491804570 448133985 /nfs/dbraw/zinc/13/39/85/448133985.db2.gz LVRBYKWPZUFHDM-XOKHGSTOSA-N 1 2 349.381 1.754 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000491804570 448133991 /nfs/dbraw/zinc/13/39/91/448133991.db2.gz LVRBYKWPZUFHDM-XOKHGSTOSA-N 1 2 349.381 1.754 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1C#N ZINC000527056119 448148194 /nfs/dbraw/zinc/14/81/94/448148194.db2.gz MVNFEKFNESQKDI-RBOXIYTFSA-N 1 2 327.384 1.431 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1C#N ZINC000527056119 448148198 /nfs/dbraw/zinc/14/81/98/448148198.db2.gz MVNFEKFNESQKDI-RBOXIYTFSA-N 1 2 327.384 1.431 20 30 EDEDLO NC(=[NH+]OC[C@@H]1CNC(=O)O1)c1ccc(OCc2cccnc2)cc1 ZINC000497097619 448197524 /nfs/dbraw/zinc/19/75/24/448197524.db2.gz TWNXCEDKODWJOH-HNNXBMFYSA-N 1 2 342.355 1.406 20 30 EDEDLO COc1ccsc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000527314997 448208630 /nfs/dbraw/zinc/20/86/30/448208630.db2.gz CBVQEYOQIGXVSE-UHFFFAOYSA-N 1 2 331.445 1.993 20 30 EDEDLO N#CC1(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000577340189 448267434 /nfs/dbraw/zinc/26/74/34/448267434.db2.gz CCLAKXVMFKCGGX-MRXNPFEDSA-N 1 2 328.416 1.663 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000563203413 448290236 /nfs/dbraw/zinc/29/02/36/448290236.db2.gz ZJLLJOKUVYINSX-PKOBYXMFSA-N 1 2 349.438 1.855 20 30 EDEDLO CC(=O)CCc1ccc(OCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000563220508 448291548 /nfs/dbraw/zinc/29/15/48/448291548.db2.gz PSNAOIJLVAGISR-GOSISDBHSA-N 1 2 331.416 1.547 20 30 EDEDLO COc1ccc(S(=O)(=O)N2CC([NH2+]C[C@H](C#N)CCC#N)C2)cc1 ZINC000564849835 448342453 /nfs/dbraw/zinc/34/24/53/448342453.db2.gz PZTRFCFJNRCLHO-ZDUSSCGKSA-N 1 2 348.428 1.101 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000572487338 448392315 /nfs/dbraw/zinc/39/23/15/448392315.db2.gz BRWVQOOTMFHCQW-MRXNPFEDSA-N 1 2 330.367 1.039 20 30 EDEDLO CN(C)c1ccc(CNS(=O)(=O)Cc2ccc(CC#N)cc2)c[nH+]1 ZINC000566161928 448400398 /nfs/dbraw/zinc/40/03/98/448400398.db2.gz KBRYWQUJVKSZAE-UHFFFAOYSA-N 1 2 344.440 1.833 20 30 EDEDLO CN(CCCc1[nH]nc(N)c1C#N)c1cc(NCC2CC2)[nH+]cn1 ZINC000535335232 448493681 /nfs/dbraw/zinc/49/36/81/448493681.db2.gz NWJUAJZZKROJIF-UHFFFAOYSA-N 1 2 326.408 1.544 20 30 EDEDLO CN(CCCc1[nH]nc(N)c1C#N)c1cc(NCC2CC2)nc[nH+]1 ZINC000535335232 448493683 /nfs/dbraw/zinc/49/36/83/448493683.db2.gz NWJUAJZZKROJIF-UHFFFAOYSA-N 1 2 326.408 1.544 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000516878022 448488574 /nfs/dbraw/zinc/48/85/74/448488574.db2.gz UTXNOXDGMJAUAD-HZPDHXFCSA-N 1 2 337.464 1.028 20 30 EDEDLO CCCOc1ccc(OCC[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000584537621 448562907 /nfs/dbraw/zinc/56/29/07/448562907.db2.gz NYSCNJMNWKTMOK-UHFFFAOYSA-N 1 2 331.416 1.912 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c(OC)c1 ZINC000592146256 448705866 /nfs/dbraw/zinc/70/58/66/448705866.db2.gz GPBPADNPZYTSCO-SJKOYZFVSA-N 1 2 333.388 1.381 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c(OC)c1 ZINC000592146256 448705872 /nfs/dbraw/zinc/70/58/72/448705872.db2.gz GPBPADNPZYTSCO-SJKOYZFVSA-N 1 2 333.388 1.381 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000592147842 448708060 /nfs/dbraw/zinc/70/80/60/448708060.db2.gz SLCHNDRHFYPFAU-LJQANCHMSA-N 1 2 340.427 1.901 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000592147842 448708064 /nfs/dbraw/zinc/70/80/64/448708064.db2.gz SLCHNDRHFYPFAU-LJQANCHMSA-N 1 2 340.427 1.901 20 30 EDEDLO Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CC[C@](O)(CC#N)C2)C1=O ZINC000592152196 448713758 /nfs/dbraw/zinc/71/37/58/448713758.db2.gz VQIAEEFZFAKXEB-FUHWJXTLSA-N 1 2 331.391 1.980 20 30 EDEDLO Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CC[C@](O)(CC#N)C2)C1=O ZINC000592152196 448713764 /nfs/dbraw/zinc/71/37/64/448713764.db2.gz VQIAEEFZFAKXEB-FUHWJXTLSA-N 1 2 331.391 1.980 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000573881932 448735079 /nfs/dbraw/zinc/73/50/79/448735079.db2.gz AKMYIQGRJVVIFG-HUUCEWRRSA-N 1 2 325.453 1.378 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000573881932 448735080 /nfs/dbraw/zinc/73/50/80/448735080.db2.gz AKMYIQGRJVVIFG-HUUCEWRRSA-N 1 2 325.453 1.378 20 30 EDEDLO N#CCCN(Cc1ccco1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000545914389 448807855 /nfs/dbraw/zinc/80/78/55/448807855.db2.gz SBPYJUVPAHENIO-UHFFFAOYSA-N 1 2 341.433 1.047 20 30 EDEDLO C=C[C@H](C(=O)OC)N(C)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000586776481 448808844 /nfs/dbraw/zinc/80/88/44/448808844.db2.gz IMMUFLCEBQLLQP-GOSISDBHSA-N 1 2 331.460 1.464 20 30 EDEDLO C=C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)C(=O)OC ZINC000586612244 448796086 /nfs/dbraw/zinc/79/60/86/448796086.db2.gz WYOZWNDJTGGCBL-LBPRGKRZSA-N 1 2 325.796 1.590 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(CC#N)cc1 ZINC000579586722 448827483 /nfs/dbraw/zinc/82/74/83/448827483.db2.gz HMVUAUXGOWCVPS-MAUKXSAKSA-N 1 2 342.443 1.757 20 30 EDEDLO C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000574312831 448843917 /nfs/dbraw/zinc/84/39/17/448843917.db2.gz NSQVUXJESIBMDV-ZBFHGGJFSA-N 1 2 343.431 1.517 20 30 EDEDLO C[C@@H](NC[C@H](O)C[N@H+](C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000574312831 448843923 /nfs/dbraw/zinc/84/39/23/448843923.db2.gz NSQVUXJESIBMDV-ZBFHGGJFSA-N 1 2 343.431 1.517 20 30 EDEDLO C[C@@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000574312831 448843929 /nfs/dbraw/zinc/84/39/29/448843929.db2.gz NSQVUXJESIBMDV-ZBFHGGJFSA-N 1 2 343.431 1.517 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccccc1Cn1cccn1 ZINC000519834791 448856275 /nfs/dbraw/zinc/85/62/75/448856275.db2.gz VCLYAERNQNUJKL-QGZVFWFLSA-N 1 2 325.416 1.829 20 30 EDEDLO Cc1[nH]nc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c1C#N ZINC000588719529 448919711 /nfs/dbraw/zinc/91/97/11/448919711.db2.gz LCDBIOMCGLORPT-INIZCTEOSA-N 1 2 339.399 1.726 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580523167 448950573 /nfs/dbraw/zinc/95/05/73/448950573.db2.gz PMOGBCBTIIENHX-KSZLIROESA-N 1 2 345.443 1.530 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580523167 448950576 /nfs/dbraw/zinc/95/05/76/448950576.db2.gz PMOGBCBTIIENHX-KSZLIROESA-N 1 2 345.443 1.530 20 30 EDEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)S1 ZINC000588961561 448954065 /nfs/dbraw/zinc/95/40/65/448954065.db2.gz OQORLTCEYQPQGN-TXEJJXNPSA-N 1 2 325.459 1.553 20 30 EDEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)S1 ZINC000588961561 448954069 /nfs/dbraw/zinc/95/40/69/448954069.db2.gz OQORLTCEYQPQGN-TXEJJXNPSA-N 1 2 325.459 1.553 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCSC[C@H](C(=O)OC)C2)c1C#N ZINC000569198243 448975524 /nfs/dbraw/zinc/97/55/24/448975524.db2.gz CPXNKGUEKBGDRO-CYBMUJFWSA-N 1 2 348.424 1.683 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCSC[C@H](C(=O)OC)C2)c1C#N ZINC000569198243 448975527 /nfs/dbraw/zinc/97/55/27/448975527.db2.gz CPXNKGUEKBGDRO-CYBMUJFWSA-N 1 2 348.424 1.683 20 30 EDEDLO Cn1ccnc1[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000521614571 449000637 /nfs/dbraw/zinc/00/06/37/449000637.db2.gz VZHHEJHWHPWMTG-MRXNPFEDSA-N 1 2 344.440 1.806 20 30 EDEDLO CCN(CC)C(=O)N1CCC(C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1 ZINC000582125403 449017978 /nfs/dbraw/zinc/01/79/78/449017978.db2.gz QNOXGCISUUTEMK-KRWDZBQOSA-N 1 2 337.468 1.120 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522267229 449071064 /nfs/dbraw/zinc/07/10/64/449071064.db2.gz FPZRFYLCWJACOB-CQSZACIVSA-N 1 2 347.463 1.183 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522267229 449071069 /nfs/dbraw/zinc/07/10/69/449071069.db2.gz FPZRFYLCWJACOB-CQSZACIVSA-N 1 2 347.463 1.183 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633417 449091706 /nfs/dbraw/zinc/09/17/06/449091706.db2.gz WPDNFUIQIAQJMS-UHFFFAOYSA-N 1 2 331.445 1.504 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@@H]1COCCO1 ZINC000595735946 449138839 /nfs/dbraw/zinc/13/88/39/449138839.db2.gz JLAUTMORVZGMPD-VXGBXAGGSA-N 1 2 349.456 1.783 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@@H]1COCCO1 ZINC000595735946 449138842 /nfs/dbraw/zinc/13/88/42/449138842.db2.gz JLAUTMORVZGMPD-VXGBXAGGSA-N 1 2 349.456 1.783 20 30 EDEDLO CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611174554 449201014 /nfs/dbraw/zinc/20/10/14/449201014.db2.gz HFEVTDJIFDNJSB-MRXNPFEDSA-N 1 2 328.460 1.957 20 30 EDEDLO C[C@@]1(C#N)CC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000595841046 449201110 /nfs/dbraw/zinc/20/11/10/449201110.db2.gz USHDGGQAZPIVEN-PBHICJAKSA-N 1 2 328.372 1.100 20 30 EDEDLO C[C@@]1(C#N)CC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000595841046 449201115 /nfs/dbraw/zinc/20/11/15/449201115.db2.gz USHDGGQAZPIVEN-PBHICJAKSA-N 1 2 328.372 1.100 20 30 EDEDLO C[C@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)c1[nH+]ccn1C ZINC000595845708 449204154 /nfs/dbraw/zinc/20/41/54/449204154.db2.gz UVSFGIXQHJTJGC-LBPRGKRZSA-N 1 2 344.444 1.946 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1O ZINC000601888663 449207162 /nfs/dbraw/zinc/20/71/62/449207162.db2.gz TTZFAWUTVJFSHA-UHFFFAOYSA-N 1 2 337.383 1.054 20 30 EDEDLO N#Cc1ccc(N2C[C@@H](C(=O)NCc3c[nH+]c[nH]3)CC2=O)cc1Cl ZINC000590669254 449239123 /nfs/dbraw/zinc/23/91/23/449239123.db2.gz DJDHMEPHKNMSII-NSHDSACASA-N 1 2 343.774 1.604 20 30 EDEDLO N#Cc1ccc(N2C[C@@H](C(=O)NCc3c[nH]c[nH+]3)CC2=O)cc1Cl ZINC000590669254 449239129 /nfs/dbraw/zinc/23/91/29/449239129.db2.gz DJDHMEPHKNMSII-NSHDSACASA-N 1 2 343.774 1.604 20 30 EDEDLO N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)c1 ZINC000604496605 449239409 /nfs/dbraw/zinc/23/94/09/449239409.db2.gz CDECMYUJASGYRM-OAHLLOKOSA-N 1 2 336.399 1.061 20 30 EDEDLO COc1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1OCCCC#N ZINC000600208061 449243960 /nfs/dbraw/zinc/24/39/60/449243960.db2.gz KIIVGHQLSZQCNB-HNNXBMFYSA-N 1 2 347.415 1.454 20 30 EDEDLO COc1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1OCCCC#N ZINC000600208061 449243968 /nfs/dbraw/zinc/24/39/68/449243968.db2.gz KIIVGHQLSZQCNB-HNNXBMFYSA-N 1 2 347.415 1.454 20 30 EDEDLO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000604525555 449246458 /nfs/dbraw/zinc/24/64/58/449246458.db2.gz PDINCERILDTYOD-OAHLLOKOSA-N 1 2 349.456 1.588 20 30 EDEDLO C[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000604525555 449246463 /nfs/dbraw/zinc/24/64/63/449246463.db2.gz PDINCERILDTYOD-OAHLLOKOSA-N 1 2 349.456 1.588 20 30 EDEDLO CCOC(=O)CCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000604538785 449248437 /nfs/dbraw/zinc/24/84/37/449248437.db2.gz ILJPGRDYCPYGBJ-UHFFFAOYSA-N 1 2 332.404 1.889 20 30 EDEDLO CCC[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611225583 449224890 /nfs/dbraw/zinc/22/48/90/449224890.db2.gz GYAVQUAOTLOGFK-WBVHZDCISA-N 1 2 331.416 1.093 20 30 EDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611225583 449224892 /nfs/dbraw/zinc/22/48/92/449224892.db2.gz GYAVQUAOTLOGFK-WBVHZDCISA-N 1 2 331.416 1.093 20 30 EDEDLO CC[C@@H](C#N)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000593446859 449289168 /nfs/dbraw/zinc/28/91/68/449289168.db2.gz ZJHKGKVMAOBBTK-ZDUSSCGKSA-N 1 2 341.415 1.926 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(CC#N)c2)C1 ZINC000590782616 449291635 /nfs/dbraw/zinc/29/16/35/449291635.db2.gz AIUHENBXEWONEQ-GOSISDBHSA-N 1 2 348.406 1.994 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2cccc(CC#N)c2)C1 ZINC000590782616 449291642 /nfs/dbraw/zinc/29/16/42/449291642.db2.gz AIUHENBXEWONEQ-GOSISDBHSA-N 1 2 348.406 1.994 20 30 EDEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)[C@@H](F)C3)CC2)o1 ZINC000611501974 449311790 /nfs/dbraw/zinc/31/17/90/449311790.db2.gz LIPOCQPDEPOWEZ-OCCSQVGLSA-N 1 2 349.410 1.183 20 30 EDEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@@H](F)C3)CC2)o1 ZINC000611501974 449311800 /nfs/dbraw/zinc/31/18/00/449311800.db2.gz LIPOCQPDEPOWEZ-OCCSQVGLSA-N 1 2 349.410 1.183 20 30 EDEDLO Cc1cn2cc(NC(=O)C(=O)N(C)[C@H]3CCC[C@@H]3C#N)ccc2[nH+]1 ZINC000602069574 449319271 /nfs/dbraw/zinc/31/92/71/449319271.db2.gz WFSHXPFDVMOXDO-OCCSQVGLSA-N 1 2 325.372 1.732 20 30 EDEDLO CC1(C#N)CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000611557553 449335476 /nfs/dbraw/zinc/33/54/76/449335476.db2.gz XHNREISJRRIJCI-UHFFFAOYSA-N 1 2 346.435 1.373 20 30 EDEDLO Cc1nc(N2CCN(c3nc4ncccc4cc3C#N)CC2)cc[nH+]1 ZINC000596191970 449405379 /nfs/dbraw/zinc/40/53/79/449405379.db2.gz JDMHRHUQHYRFDA-UHFFFAOYSA-N 1 2 331.383 1.927 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@]1(C#N)CCSC1)C(F)(F)F ZINC000594258065 449415363 /nfs/dbraw/zinc/41/53/63/449415363.db2.gz ZURSWYHQYIJWKO-SKDRFNHKSA-N 1 2 332.351 1.972 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000594282339 449427374 /nfs/dbraw/zinc/42/73/74/449427374.db2.gz OLFCKEJYQZOYMR-CVEARBPZSA-N 1 2 328.460 1.489 20 30 EDEDLO N#Cc1cccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c1 ZINC000600686163 449491944 /nfs/dbraw/zinc/49/19/44/449491944.db2.gz WXWVMEJECVUWQQ-GOSISDBHSA-N 1 2 336.395 1.584 20 30 EDEDLO N#Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c1 ZINC000600686163 449491949 /nfs/dbraw/zinc/49/19/49/449491949.db2.gz WXWVMEJECVUWQQ-GOSISDBHSA-N 1 2 336.395 1.584 20 30 EDEDLO N#Cc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)nc1N ZINC000596347415 449479338 /nfs/dbraw/zinc/47/93/38/449479338.db2.gz HWHIFMAHSUWALY-SJORKVTESA-N 1 2 335.411 1.625 20 30 EDEDLO N#Cc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)nc1N ZINC000596347415 449479344 /nfs/dbraw/zinc/47/93/44/449479344.db2.gz HWHIFMAHSUWALY-SJORKVTESA-N 1 2 335.411 1.625 20 30 EDEDLO N#Cc1cc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000596516135 449537523 /nfs/dbraw/zinc/53/75/23/449537523.db2.gz RJTFGYCCRQMHCY-IBGZPJMESA-N 1 2 338.411 1.051 20 30 EDEDLO N#Cc1cc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)ccn1 ZINC000596516135 449537526 /nfs/dbraw/zinc/53/75/26/449537526.db2.gz RJTFGYCCRQMHCY-IBGZPJMESA-N 1 2 338.411 1.051 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21)C1CC1 ZINC000598643748 449514992 /nfs/dbraw/zinc/51/49/92/449514992.db2.gz GTSUUQGXUCDTBL-WBVHZDCISA-N 1 2 347.440 1.054 20 30 EDEDLO C[C@H](C#N)C[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602448958 449596350 /nfs/dbraw/zinc/59/63/50/449596350.db2.gz XBCRAQJQNOKLIH-SECBINFHSA-N 1 2 346.250 1.688 20 30 EDEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602448958 449596354 /nfs/dbraw/zinc/59/63/54/449596354.db2.gz XBCRAQJQNOKLIH-SECBINFHSA-N 1 2 346.250 1.688 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3csc(CO)n3)CC2)cc1 ZINC000600946290 449608485 /nfs/dbraw/zinc/60/84/85/449608485.db2.gz RNZDBAIMUAMONT-UHFFFAOYSA-N 1 2 342.424 1.465 20 30 EDEDLO CCC[C@H](C#N)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000601026724 449660913 /nfs/dbraw/zinc/66/09/13/449660913.db2.gz OLPYBHICZJIKRL-OAHLLOKOSA-N 1 2 348.422 1.992 20 30 EDEDLO Cc1nc(N2CCN(c3ccc(C#N)cc3Cl)CC2)nc(N)[nH+]1 ZINC000601154254 449721595 /nfs/dbraw/zinc/72/15/95/449721595.db2.gz DNWJKXBTQYRMJI-UHFFFAOYSA-N 1 2 329.795 1.614 20 30 EDEDLO Cc1nc(N)nc(N2CCN(c3ccc(C#N)cc3Cl)CC2)[nH+]1 ZINC000601154254 449721598 /nfs/dbraw/zinc/72/15/98/449721598.db2.gz DNWJKXBTQYRMJI-UHFFFAOYSA-N 1 2 329.795 1.614 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNS(=O)(=O)CC1(C#N)CCCC1 ZINC000594817420 449725980 /nfs/dbraw/zinc/72/59/80/449725980.db2.gz QYWFHHUDCGFVNG-KGLIPLIRSA-N 1 2 329.466 1.099 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNS(=O)(=O)CC1(C#N)CCCC1 ZINC000594817420 449725987 /nfs/dbraw/zinc/72/59/87/449725987.db2.gz QYWFHHUDCGFVNG-KGLIPLIRSA-N 1 2 329.466 1.099 20 30 EDEDLO COCCN(CC#N)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602688933 449752364 /nfs/dbraw/zinc/75/23/64/449752364.db2.gz STXDKNVEQYJHIR-UHFFFAOYSA-N 1 2 333.432 1.370 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854276 449861219 /nfs/dbraw/zinc/86/12/19/449861219.db2.gz BABWKBVLOLCJFZ-SOUVJXGZSA-N 1 2 325.416 1.803 20 30 EDEDLO COc1cccc(CNC(=O)[C@H](C)[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602855800 449862873 /nfs/dbraw/zinc/86/28/73/449862873.db2.gz ITUSWLAKCITCRU-OAGGEKHMSA-N 1 2 344.459 1.618 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)N2CCCc3ccccc32)C[C@H](C)N1CC#N ZINC000602857010 449865373 /nfs/dbraw/zinc/86/53/73/449865373.db2.gz NVMAAIMQZSCRIH-HOTGVXAUSA-N 1 2 326.444 1.884 20 30 EDEDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857148 449865758 /nfs/dbraw/zinc/86/57/58/449865758.db2.gz OZRBOTUBOKUZFM-XHSDSOJGSA-N 1 2 326.444 1.882 20 30 EDEDLO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857148 449865763 /nfs/dbraw/zinc/86/57/63/449865763.db2.gz OZRBOTUBOKUZFM-XHSDSOJGSA-N 1 2 326.444 1.882 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602859144 449867786 /nfs/dbraw/zinc/86/77/86/449867786.db2.gz DJZCORWANBMJKF-OKILXGFUSA-N 1 2 343.431 1.502 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602859144 449867788 /nfs/dbraw/zinc/86/77/88/449867788.db2.gz DJZCORWANBMJKF-OKILXGFUSA-N 1 2 343.431 1.502 20 30 EDEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(F)cc1 ZINC000602858636 449867818 /nfs/dbraw/zinc/86/78/18/449867818.db2.gz UDWVUWCKKBLKBD-QLFBSQMISA-N 1 2 332.423 1.921 20 30 EDEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(F)cc1 ZINC000602858636 449867825 /nfs/dbraw/zinc/86/78/25/449867825.db2.gz UDWVUWCKKBLKBD-QLFBSQMISA-N 1 2 332.423 1.921 20 30 EDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000602865456 449874745 /nfs/dbraw/zinc/87/47/45/449874745.db2.gz VMMKJWXLCKQTEM-CQSZACIVSA-N 1 2 329.404 1.254 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](C(F)(F)F)O1 ZINC000599305285 449877044 /nfs/dbraw/zinc/87/70/44/449877044.db2.gz XJRBKZHTXLWFHI-OSAQELSMSA-N 1 2 344.333 1.950 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](C(F)(F)F)O1 ZINC000599305285 449877052 /nfs/dbraw/zinc/87/70/52/449877052.db2.gz XJRBKZHTXLWFHI-OSAQELSMSA-N 1 2 344.333 1.950 20 30 EDEDLO COCc1ccccc1CNC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602866214 449877114 /nfs/dbraw/zinc/87/71/14/449877114.db2.gz VHHSSVBDKGMOBR-HOTGVXAUSA-N 1 2 344.459 1.367 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)CCOCC1 ZINC000599396349 449942234 /nfs/dbraw/zinc/94/22/34/449942234.db2.gz ICQHIPJLBOBWMD-QWHCGFSZSA-N 1 2 336.392 1.026 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)CCOCC1 ZINC000599396349 449942240 /nfs/dbraw/zinc/94/22/40/449942240.db2.gz ICQHIPJLBOBWMD-QWHCGFSZSA-N 1 2 336.392 1.026 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595219841 449955858 /nfs/dbraw/zinc/95/58/58/449955858.db2.gz SQAFMRIVRUVBMP-JTQLQIEISA-N 1 2 327.344 1.116 20 30 EDEDLO COC[C@]1(C(=O)OC)CCCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000602915600 449918452 /nfs/dbraw/zinc/91/84/52/449918452.db2.gz MDPUSRNQVRLJDO-SFHVURJKSA-N 1 2 332.400 1.981 20 30 EDEDLO COC[C@]1(C(=O)OC)CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000602915600 449918457 /nfs/dbraw/zinc/91/84/57/449918457.db2.gz MDPUSRNQVRLJDO-SFHVURJKSA-N 1 2 332.400 1.981 20 30 EDEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595175131 449922799 /nfs/dbraw/zinc/92/27/99/449922799.db2.gz KLTOQXMIVKXQPJ-GOSISDBHSA-N 1 2 345.447 1.446 20 30 EDEDLO CC1(C)[C@H](NS(=O)(=O)c2ccccc2C#N)C[C@@H]1[NH+]1CCOCC1 ZINC000601453642 449977679 /nfs/dbraw/zinc/97/76/79/449977679.db2.gz VVZYXOXIEZXYJF-CVEARBPZSA-N 1 2 349.456 1.336 20 30 EDEDLO Cc1oc(NC(=O)CN2CC[NH+](Cc3cn[nH]c3)CC2)c(C#N)c1C ZINC000599440263 449978412 /nfs/dbraw/zinc/97/84/12/449978412.db2.gz HZGQJRGHLFALIP-UHFFFAOYSA-N 1 2 342.403 1.248 20 30 EDEDLO CCOC(=O)[C@@]1(C)C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000603004282 450000771 /nfs/dbraw/zinc/00/07/71/450000771.db2.gz OHYBWORMSDVQIO-GOSISDBHSA-N 1 2 332.400 1.981 20 30 EDEDLO CCOC(=O)[C@@]1(C)C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000603004282 450000778 /nfs/dbraw/zinc/00/07/78/450000778.db2.gz OHYBWORMSDVQIO-GOSISDBHSA-N 1 2 332.400 1.981 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603006479 450002494 /nfs/dbraw/zinc/00/24/94/450002494.db2.gz AQHCTAWJSCCODM-OAHLLOKOSA-N 1 2 342.443 1.461 20 30 EDEDLO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nnc2n1CCCCC2 ZINC000613062651 450005499 /nfs/dbraw/zinc/00/54/99/450005499.db2.gz JMLZKSLSOAWYGO-PXAZEXFGSA-N 1 2 330.436 1.464 20 30 EDEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC000609417409 450026831 /nfs/dbraw/zinc/02/68/31/450026831.db2.gz FBKMNJRDTBFFQY-ZDUSSCGKSA-N 1 2 343.456 1.615 20 30 EDEDLO Cc1cc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ncc1C#N ZINC000603116704 450079285 /nfs/dbraw/zinc/07/92/85/450079285.db2.gz AHLMGXXPYGPRDJ-INIZCTEOSA-N 1 2 343.431 1.980 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H](C)CC#N)CC1 ZINC000597535419 450090043 /nfs/dbraw/zinc/09/00/43/450090043.db2.gz ZYNXNTMGYXZBRK-CQSZACIVSA-N 1 2 328.416 1.839 20 30 EDEDLO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000603159661 450101849 /nfs/dbraw/zinc/10/18/49/450101849.db2.gz XPNSWDWKPATSHS-GOSISDBHSA-N 1 2 337.427 1.962 20 30 EDEDLO CN(C)C(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000613263960 450107784 /nfs/dbraw/zinc/10/77/84/450107784.db2.gz LFJRWNIFHRFCNE-UHFFFAOYSA-N 1 2 340.349 1.787 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCc2[nH]c[nH+]c2C12CCOCC2 ZINC000601652902 450144235 /nfs/dbraw/zinc/14/42/35/450144235.db2.gz KNPNSDXBGTVVCL-UHFFFAOYSA-N 1 2 325.372 1.622 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000599726013 450180449 /nfs/dbraw/zinc/18/04/49/450180449.db2.gz ORPCRVZKANONSI-CQSZACIVSA-N 1 2 332.404 1.798 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000599726013 450180457 /nfs/dbraw/zinc/18/04/57/450180457.db2.gz ORPCRVZKANONSI-CQSZACIVSA-N 1 2 332.404 1.798 20 30 EDEDLO C=C[C@H](O)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000613405587 450167067 /nfs/dbraw/zinc/16/70/67/450167067.db2.gz RTWUCDNJGJEGOM-IPYPFGDCSA-N 1 2 328.334 1.902 20 30 EDEDLO C=C[C@H](O)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000613405587 450167074 /nfs/dbraw/zinc/16/70/74/450167074.db2.gz RTWUCDNJGJEGOM-IPYPFGDCSA-N 1 2 328.334 1.902 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000610084585 450137868 /nfs/dbraw/zinc/13/78/68/450137868.db2.gz OXEVPBHWDSAUDZ-CYBMUJFWSA-N 1 2 334.376 1.920 20 30 EDEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ncccc1OCCCC#N ZINC000599774009 450209660 /nfs/dbraw/zinc/20/96/60/450209660.db2.gz JYEMZKFDHPQDIO-CYBMUJFWSA-N 1 2 333.392 1.216 20 30 EDEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ncccc1OCCCC#N ZINC000599774009 450209667 /nfs/dbraw/zinc/20/96/67/450209667.db2.gz JYEMZKFDHPQDIO-CYBMUJFWSA-N 1 2 333.392 1.216 20 30 EDEDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000601733012 450197157 /nfs/dbraw/zinc/19/71/57/450197157.db2.gz FMHGNJUGDLZLIA-INIZCTEOSA-N 1 2 333.407 1.764 20 30 EDEDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000601733012 450197160 /nfs/dbraw/zinc/19/71/60/450197160.db2.gz FMHGNJUGDLZLIA-INIZCTEOSA-N 1 2 333.407 1.764 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647273 450297463 /nfs/dbraw/zinc/29/74/63/450297463.db2.gz FIDJDUNZSXQEQE-PBHICJAKSA-N 1 2 330.407 1.699 20 30 EDEDLO Cc1cccn2cc(CCNS(=O)(=O)N(C)[C@@H](C)CC#N)[nH+]c12 ZINC000619750461 450325908 /nfs/dbraw/zinc/32/59/08/450325908.db2.gz LINUXKCNVXXJNS-ZDUSSCGKSA-N 1 2 335.433 1.254 20 30 EDEDLO N#Cc1ccc(CNC(=O)NCC2([NH+]3CCOCC3)CC2)cc1Cl ZINC000619761182 450329523 /nfs/dbraw/zinc/32/95/23/450329523.db2.gz SXUGIWHLIKTBDP-UHFFFAOYSA-N 1 2 348.834 1.876 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000619433385 450472520 /nfs/dbraw/zinc/47/25/20/450472520.db2.gz WQGQVBMWKXFVBR-ZWKOTPCHSA-N 1 2 348.491 1.322 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000619433385 450472522 /nfs/dbraw/zinc/47/25/22/450472522.db2.gz WQGQVBMWKXFVBR-ZWKOTPCHSA-N 1 2 348.491 1.322 20 30 EDEDLO C=CCN(CCc1ccccc1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000631813353 450791755 /nfs/dbraw/zinc/79/17/55/450791755.db2.gz NPIHMQVDPPFJKB-KRWDZBQOSA-N 1 2 338.473 1.378 20 30 EDEDLO C=CCN(CCc1ccccc1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631813353 450791762 /nfs/dbraw/zinc/79/17/62/450791762.db2.gz NPIHMQVDPPFJKB-KRWDZBQOSA-N 1 2 338.473 1.378 20 30 EDEDLO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@H](O)C(F)(F)F ZINC000625280445 451257057 /nfs/dbraw/zinc/25/70/57/451257057.db2.gz ISMRNAHVRUZRGA-ZDUSSCGKSA-N 1 2 340.301 1.141 20 30 EDEDLO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@H](O)C(F)(F)F ZINC000625280445 451257063 /nfs/dbraw/zinc/25/70/63/451257063.db2.gz ISMRNAHVRUZRGA-ZDUSSCGKSA-N 1 2 340.301 1.141 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2nnc(CCCC)s2)nn1 ZINC000640799486 451593288 /nfs/dbraw/zinc/59/32/88/451593288.db2.gz JEVGAVHPGGWGEB-UHFFFAOYSA-N 1 2 347.448 1.224 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccccc2OC)nn1 ZINC000640805232 451598142 /nfs/dbraw/zinc/59/81/42/451598142.db2.gz QAGLJEILGXHWTK-CYBMUJFWSA-N 1 2 327.388 1.599 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N2CCCc3ccccc32)nn1 ZINC000640812381 451602734 /nfs/dbraw/zinc/60/27/34/451602734.db2.gz LDHSEMDGQOHPSQ-OAHLLOKOSA-N 1 2 337.427 1.931 20 30 EDEDLO C=CCn1cc(CNC(=O)NCCc2cn3c(cccc3C)[nH+]2)nn1 ZINC000645475357 452447393 /nfs/dbraw/zinc/44/73/93/452447393.db2.gz AHCSHMNTIOWJJX-UHFFFAOYSA-N 1 2 339.403 1.462 20 30 EDEDLO C=CCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@H](C)COC ZINC000658378444 452893310 /nfs/dbraw/zinc/89/33/10/452893310.db2.gz XOPWBFXHDLNPBZ-CYBMUJFWSA-N 1 2 330.388 1.631 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)nn1 ZINC000648387596 453053687 /nfs/dbraw/zinc/05/36/87/453053687.db2.gz WEVHQMYORUWXCA-AWEZNQCLSA-N 1 2 330.392 1.095 20 30 EDEDLO C=CCCn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)nn1 ZINC000657333008 453768319 /nfs/dbraw/zinc/76/83/19/453768319.db2.gz XITZZJXKJGMFIJ-UHFFFAOYSA-N 1 2 349.460 1.231 20 30 EDEDLO C=CC[N@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@@H](C)COC ZINC000661242248 453771786 /nfs/dbraw/zinc/77/17/86/453771786.db2.gz LXPRVGVTCAJYRU-LBPRGKRZSA-N 1 2 348.382 1.263 20 30 EDEDLO C=CC[N@@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@@H](C)COC ZINC000661242248 453771791 /nfs/dbraw/zinc/77/17/91/453771791.db2.gz LXPRVGVTCAJYRU-LBPRGKRZSA-N 1 2 348.382 1.263 20 30 EDEDLO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000579074205 486790579 /nfs/dbraw/zinc/79/05/79/486790579.db2.gz UVTKOBQNUCXCCX-IFXJQAMLSA-N 1 2 341.411 1.652 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3c[nH]nc3C2)c(OC)c1 ZINC000676792600 486876537 /nfs/dbraw/zinc/87/65/37/486876537.db2.gz FEZZHPYXLGCUOR-MRXNPFEDSA-N 1 2 343.427 1.945 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCc3c[nH]nc3C2)c(OC)c1 ZINC000676792600 486876545 /nfs/dbraw/zinc/87/65/45/486876545.db2.gz FEZZHPYXLGCUOR-MRXNPFEDSA-N 1 2 343.427 1.945 20 30 EDEDLO O=C(C[N@@H+]1CCc2sccc2C1)NCc1ccc(C(=O)NO)cc1 ZINC000671996741 485890106 /nfs/dbraw/zinc/89/01/06/485890106.db2.gz KPTOYQXRMWHXFR-UHFFFAOYSA-N 1 2 345.424 1.542 20 30 EDEDLO O=C(C[N@H+]1CCc2sccc2C1)NCc1ccc(C(=O)NO)cc1 ZINC000671996741 485890114 /nfs/dbraw/zinc/89/01/14/485890114.db2.gz KPTOYQXRMWHXFR-UHFFFAOYSA-N 1 2 345.424 1.542 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000174801119 527107943 /nfs/dbraw/zinc/10/79/43/527107943.db2.gz VUINEPWCVGZSIA-UHFFFAOYSA-N 1 2 345.374 1.083 20 30 EDEDLO CC(C)[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)[NH+]1CCOCC1 ZINC000152720175 528460328 /nfs/dbraw/zinc/46/03/28/528460328.db2.gz KBFSIKUJPUDOPU-OAHLLOKOSA-N 1 2 337.370 1.923 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000128611693 529129910 /nfs/dbraw/zinc/12/99/10/529129910.db2.gz USYXVGFKLHLLAQ-UHFFFAOYSA-N 1 2 333.863 1.834 20 30 EDEDLO CC[N@H+](CCNS(=O)(=O)c1ccc(C#N)o1)CCC(F)(F)F ZINC000344766303 535738674 /nfs/dbraw/zinc/73/86/74/535738674.db2.gz XINODGQIEMDSQA-UHFFFAOYSA-N 1 2 339.339 1.704 20 30 EDEDLO CC[N@@H+](CCNS(=O)(=O)c1ccc(C#N)o1)CCC(F)(F)F ZINC000344766303 535738680 /nfs/dbraw/zinc/73/86/80/535738680.db2.gz XINODGQIEMDSQA-UHFFFAOYSA-N 1 2 339.339 1.704 20 30 EDEDLO CCc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3F)CC2)no1 ZINC000081162242 536135727 /nfs/dbraw/zinc/13/57/27/536135727.db2.gz SXLDDFYJEMFDKW-UHFFFAOYSA-N 1 2 329.379 1.961 20 30 EDEDLO C=C(COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)OCC ZINC000741347295 579412194 /nfs/dbraw/zinc/41/21/94/579412194.db2.gz NZJDWNSDLZYMNK-QGZVFWFLSA-N 1 2 347.411 1.940 20 30 EDEDLO C=C(COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)OCC ZINC000741347295 579412195 /nfs/dbraw/zinc/41/21/95/579412195.db2.gz NZJDWNSDLZYMNK-QGZVFWFLSA-N 1 2 347.411 1.940 20 30 EDEDLO Cc1cnc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000742357601 579449805 /nfs/dbraw/zinc/44/98/05/579449805.db2.gz YFFJNZNBZGJIFM-UHFFFAOYSA-N 1 2 330.388 1.652 20 30 EDEDLO N#CC1(NC(=O)COC(=O)CCc2ccc(N)[nH+]c2)CCCCC1 ZINC000759815272 580016065 /nfs/dbraw/zinc/01/60/65/580016065.db2.gz PVRJFIDCWXQCJO-UHFFFAOYSA-N 1 2 330.388 1.482 20 30 EDEDLO C=CCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(C)C ZINC000731761205 578680470 /nfs/dbraw/zinc/68/04/70/578680470.db2.gz XNFOHSRVIIVJHY-UHFFFAOYSA-N 1 2 331.482 1.101 20 30 EDEDLO COC(=O)CCc1nc(CO[NH+]=C(N)c2ccc(Cl)cc2)no1 ZINC000732193928 578696913 /nfs/dbraw/zinc/69/69/13/578696913.db2.gz MSMQIKATLONIQR-UHFFFAOYSA-N 1 2 338.751 1.666 20 30 EDEDLO C#CCNC(=O)COC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732396876 578709453 /nfs/dbraw/zinc/70/94/53/578709453.db2.gz KVLXCRQRODEORW-INIZCTEOSA-N 1 2 342.439 1.622 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000732663574 578722394 /nfs/dbraw/zinc/72/23/94/578722394.db2.gz YONDVDIPMBBJSS-INIZCTEOSA-N 1 2 329.375 1.989 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000732663574 578722396 /nfs/dbraw/zinc/72/23/96/578722396.db2.gz YONDVDIPMBBJSS-INIZCTEOSA-N 1 2 329.375 1.989 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000733160789 578746155 /nfs/dbraw/zinc/74/61/55/578746155.db2.gz AFUYZMRLGUWBKH-UHFFFAOYSA-N 1 2 329.375 1.322 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(F)ccc2N2CCOCC2)CC1 ZINC000733161311 578746159 /nfs/dbraw/zinc/74/61/59/578746159.db2.gz MXNCJXDPLZXRAB-UHFFFAOYSA-N 1 2 331.391 1.053 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCN(CCC#N)CC1 ZINC000760943180 580042087 /nfs/dbraw/zinc/04/20/87/580042087.db2.gz JBZKTGWJWOUHHI-LBPRGKRZSA-N 1 2 342.403 1.127 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000737850675 579133695 /nfs/dbraw/zinc/13/36/95/579133695.db2.gz JEFXTLQDIDAPCW-UHFFFAOYSA-N 1 2 337.464 1.847 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 ZINC000744422271 579510263 /nfs/dbraw/zinc/51/02/63/579510263.db2.gz JNPRKXQZMCGJPJ-QGZVFWFLSA-N 1 2 341.411 1.195 20 30 EDEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000745103140 579538820 /nfs/dbraw/zinc/53/88/20/579538820.db2.gz COUUNNLVNRPNAM-NVXWUHKLSA-N 1 2 328.412 1.722 20 30 EDEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000745103140 579538821 /nfs/dbraw/zinc/53/88/21/579538821.db2.gz COUUNNLVNRPNAM-NVXWUHKLSA-N 1 2 328.412 1.722 20 30 EDEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000747829535 579659834 /nfs/dbraw/zinc/65/98/34/579659834.db2.gz ULSWNPOFIWVFQA-OAHLLOKOSA-N 1 2 333.388 1.112 20 30 EDEDLO Cc1oc(NC(=O)COC(=O)CCc2ccc(N)[nH+]c2)c(C#N)c1C ZINC000751458022 579808304 /nfs/dbraw/zinc/80/83/04/579808304.db2.gz IXNTTYAOMAVSMI-UHFFFAOYSA-N 1 2 342.355 1.860 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(Cl)cc(C(=O)OC)c2)CC1 ZINC000754308048 579901037 /nfs/dbraw/zinc/90/10/37/579901037.db2.gz KQMRAAHWCXCEKH-UHFFFAOYSA-N 1 2 349.818 1.316 20 30 EDEDLO Cn1c[nH+]cc1CN=Nc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000755587891 579930184 /nfs/dbraw/zinc/93/01/84/579930184.db2.gz SYGPYQBQAZMSSL-UHFFFAOYSA-N 1 2 348.432 1.436 20 30 EDEDLO Cc1cc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc[nH+]1 ZINC000757807089 579971620 /nfs/dbraw/zinc/97/16/20/579971620.db2.gz DIRBPKVCRFCBDP-OCCSQVGLSA-N 1 2 345.403 1.693 20 30 EDEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCN4C(=O)OCC[C@@H]4C3)n2)cc1 ZINC000763316490 580097542 /nfs/dbraw/zinc/09/75/42/580097542.db2.gz YWCAJPROBJDDMO-MRXNPFEDSA-N 1 2 337.383 1.906 20 30 EDEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCN4C(=O)OCC[C@@H]4C3)n2)cc1 ZINC000763316490 580097543 /nfs/dbraw/zinc/09/75/43/580097543.db2.gz YWCAJPROBJDDMO-MRXNPFEDSA-N 1 2 337.383 1.906 20 30 EDEDLO C#CCC[NH+]1CCN(c2ncnc3ccc(S(C)(=O)=O)cc32)CC1 ZINC000764799977 580128926 /nfs/dbraw/zinc/12/89/26/580128926.db2.gz OIKQFVWSSWYTNP-UHFFFAOYSA-N 1 2 344.440 1.179 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000766410402 580166298 /nfs/dbraw/zinc/16/62/98/580166298.db2.gz VTOKTXZPKIQZIB-HSZRJFAPSA-N 1 2 332.473 1.333 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000767119041 580182064 /nfs/dbraw/zinc/18/20/64/580182064.db2.gz YGMOFLCOOLAFNZ-ZIAGYGMSSA-N 1 2 328.478 1.780 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000767119041 580182065 /nfs/dbraw/zinc/18/20/65/580182065.db2.gz YGMOFLCOOLAFNZ-ZIAGYGMSSA-N 1 2 328.478 1.780 20 30 EDEDLO CCOC(=O)c1ccc(S(=O)(=O)NN=C2C[N@H+](C)C[C@H]2C)cc1 ZINC000767791873 580199676 /nfs/dbraw/zinc/19/96/76/580199676.db2.gz YGIGYMHALRXNKP-LLVKDONJSA-N 1 2 339.417 1.079 20 30 EDEDLO CCOC(=O)c1ccc(S(=O)(=O)NN=C2C[N@@H+](C)C[C@H]2C)cc1 ZINC000767791873 580199677 /nfs/dbraw/zinc/19/96/77/580199677.db2.gz YGIGYMHALRXNKP-LLVKDONJSA-N 1 2 339.417 1.079 20 30 EDEDLO COc1ccsc1C(C)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000769764350 580244447 /nfs/dbraw/zinc/24/44/47/580244447.db2.gz XTXORWAUCLNVBW-UHFFFAOYSA-N 1 2 342.490 1.277 20 30 EDEDLO CCc1noc(C)c1C(C)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000769798492 580245379 /nfs/dbraw/zinc/24/53/79/580245379.db2.gz UOCMRYDVKNIMOW-UHFFFAOYSA-N 1 2 339.465 1.066 20 30 EDEDLO Cn1ncc2c1nc(N=NC1CC[N@H+](Cc3ccccc3)C1)[nH]c2=O ZINC000769818775 580246163 /nfs/dbraw/zinc/24/61/63/580246163.db2.gz WPLPBUAZQOQLIT-UHFFFAOYSA-N 1 2 337.387 1.743 20 30 EDEDLO Cn1ncc2c1nc(N=NC1CC[N@@H+](Cc3ccccc3)C1)[nH]c2=O ZINC000769818775 580246164 /nfs/dbraw/zinc/24/61/64/580246164.db2.gz WPLPBUAZQOQLIT-UHFFFAOYSA-N 1 2 337.387 1.743 20 30 EDEDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NN=Cc1cccc2[nH+]ccn21 ZINC000771101753 580280179 /nfs/dbraw/zinc/28/01/79/580280179.db2.gz WWRWECJBEUHWMR-UHFFFAOYSA-N 1 2 345.340 1.555 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)CC1 ZINC000772113834 580303511 /nfs/dbraw/zinc/30/35/11/580303511.db2.gz JMVOELIYFVCELW-CQSZACIVSA-N 1 2 345.424 1.516 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776593926 580423267 /nfs/dbraw/zinc/42/32/67/580423267.db2.gz QNDGKCCBMSZXCW-IRXDYDNUSA-N 1 2 332.404 1.794 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000780857022 580535166 /nfs/dbraw/zinc/53/51/66/580535166.db2.gz RACIHPGTDHNQCW-KRWDZBQOSA-N 1 2 341.436 1.998 20 30 EDEDLO C#CCCCCCC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000783071026 580592655 /nfs/dbraw/zinc/59/26/55/580592655.db2.gz DDYMYFODXIBHDK-OAHLLOKOSA-N 1 2 330.432 1.611 20 30 EDEDLO C#CCOCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000784544176 580623371 /nfs/dbraw/zinc/62/33/71/580623371.db2.gz DNVGWXQYDZCKOI-RMKNXTFCSA-N 1 2 327.428 1.677 20 30 EDEDLO C[C@H](CO)[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C[C@H](C)O ZINC000785536367 580646924 /nfs/dbraw/zinc/64/69/24/580646924.db2.gz FCOUIHWOVLOKOF-AGIUHOORSA-N 1 2 347.440 1.536 20 30 EDEDLO C[C@H](CO)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C[C@H](C)O ZINC000785536367 580646925 /nfs/dbraw/zinc/64/69/25/580646925.db2.gz FCOUIHWOVLOKOF-AGIUHOORSA-N 1 2 347.440 1.536 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000785978847 580657211 /nfs/dbraw/zinc/65/72/11/580657211.db2.gz JGNWDDXBSSCRIV-LBPRGKRZSA-N 1 2 342.848 1.605 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000785978847 580657212 /nfs/dbraw/zinc/65/72/12/580657212.db2.gz JGNWDDXBSSCRIV-LBPRGKRZSA-N 1 2 342.848 1.605 20 30 EDEDLO C#CCOc1ccccc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000788270967 580715510 /nfs/dbraw/zinc/71/55/10/580715510.db2.gz XVHDNGWYZYWGNT-UHFFFAOYSA-N 1 2 349.438 1.934 20 30 EDEDLO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1nnnn1C1CC1 ZINC000790556270 580773002 /nfs/dbraw/zinc/77/30/02/580773002.db2.gz ZASDJEOWIICXMH-SKDRFNHKSA-N 1 2 343.416 1.397 20 30 EDEDLO N#Cc1c(=O)n(C[NH+]2CCC(C3OCCO3)CC2)cc2c1CCCC2 ZINC000793498117 580845969 /nfs/dbraw/zinc/84/59/69/580845969.db2.gz KGKWFSRFOWWAMN-UHFFFAOYSA-N 1 2 343.427 1.641 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000794989517 580910259 /nfs/dbraw/zinc/91/02/59/580910259.db2.gz COAKJBMMONOPBP-QLPKVWCKSA-N 1 2 327.384 1.284 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000794989517 580910260 /nfs/dbraw/zinc/91/02/60/580910260.db2.gz COAKJBMMONOPBP-QLPKVWCKSA-N 1 2 327.384 1.284 20 30 EDEDLO Cc1ccn(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c(=O)c1C#N ZINC000797418844 580975331 /nfs/dbraw/zinc/97/53/31/580975331.db2.gz XCURPZNHQLEQGH-VKJFTORMSA-N 1 2 331.416 1.644 20 30 EDEDLO Cc1ccn(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c(=O)c1C#N ZINC000797418844 580975332 /nfs/dbraw/zinc/97/53/32/580975332.db2.gz XCURPZNHQLEQGH-VKJFTORMSA-N 1 2 331.416 1.644 20 30 EDEDLO COC(=O)c1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c[nH]1 ZINC000798274308 580992831 /nfs/dbraw/zinc/99/28/31/580992831.db2.gz CFDCHNSJCUZUTL-GXTWGEPZSA-N 1 2 348.403 1.650 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000799057331 581015050 /nfs/dbraw/zinc/01/50/50/581015050.db2.gz IWHNFOABDJOOIU-SFHVURJKSA-N 1 2 336.395 1.644 20 30 EDEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)c(Cl)c1 ZINC000799167854 581020576 /nfs/dbraw/zinc/02/05/76/581020576.db2.gz AYVYHVSQTABEDK-CQSZACIVSA-N 1 2 332.791 1.139 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000799277050 581023494 /nfs/dbraw/zinc/02/34/94/581023494.db2.gz MTIRNXSTZKBSKE-UHFFFAOYSA-N 1 2 348.406 1.659 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cn3)CC2)nc1 ZINC000799297434 581024250 /nfs/dbraw/zinc/02/42/50/581024250.db2.gz NNJQVMFOUPTBGC-INIZCTEOSA-N 1 2 327.363 1.343 20 30 EDEDLO CC(C)N1C(=O)CN(C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O ZINC000799944483 581039492 /nfs/dbraw/zinc/03/94/92/581039492.db2.gz ZUOHQYHYTVZHNN-UHFFFAOYSA-N 1 2 341.415 1.569 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000801910632 581087677 /nfs/dbraw/zinc/08/76/77/581087677.db2.gz NUEMVWNZEZSFHY-CYBMUJFWSA-N 1 2 341.408 1.061 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000801912111 581087685 /nfs/dbraw/zinc/08/76/85/581087685.db2.gz HQDTYOQWTDAGDZ-BBWFWOEESA-N 1 2 336.480 1.037 20 30 EDEDLO COc1ccc(-c2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)no2)cc1 ZINC000890888237 590832651 /nfs/dbraw/zinc/83/26/51/590832651.db2.gz YNVJEUJCIGERPC-KRWDZBQOSA-N 1 2 328.372 1.924 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)COc2ccccc2C#N)C[N@@H+]1C ZINC000893561225 590961243 /nfs/dbraw/zinc/96/12/43/590961243.db2.gz BSIURVVVXPOSML-CXAGYDPISA-N 1 2 332.356 1.116 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)COc2ccccc2C#N)C[N@H+]1C ZINC000893561225 590961245 /nfs/dbraw/zinc/96/12/45/590961245.db2.gz BSIURVVVXPOSML-CXAGYDPISA-N 1 2 332.356 1.116 20 30 EDEDLO O=C(NCC#C[C@@H]1CCCCO1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000891113165 590962165 /nfs/dbraw/zinc/96/21/65/590962165.db2.gz VHSWGROHYJXABX-HNNXBMFYSA-N 1 2 325.368 1.880 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)CCc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893564942 590963710 /nfs/dbraw/zinc/96/37/10/590963710.db2.gz CVWGMYMEKNJGEB-QAPCUYQASA-N 1 2 330.384 1.670 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)CCc2ccc(C#N)cc2)C[N@H+]1C ZINC000893564942 590963713 /nfs/dbraw/zinc/96/37/13/590963713.db2.gz CVWGMYMEKNJGEB-QAPCUYQASA-N 1 2 330.384 1.670 20 30 EDEDLO COC(=O)[C@H]1[C@@H](C[NH+]2CCN(c3ccccc3C#N)CC2)C1(F)F ZINC000893920877 591139207 /nfs/dbraw/zinc/13/92/07/591139207.db2.gz DYMVEZQXWULJRK-UKRRQHHQSA-N 1 2 335.354 1.735 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cscc2Cl)C1 ZINC000891602293 591144591 /nfs/dbraw/zinc/14/45/91/591144591.db2.gz KTKIGAUXFOHJSO-JTQLQIEISA-N 1 2 325.821 1.554 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cscc2Cl)C1 ZINC000891602293 591144593 /nfs/dbraw/zinc/14/45/93/591144593.db2.gz KTKIGAUXFOHJSO-JTQLQIEISA-N 1 2 325.821 1.554 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2OC)C1 ZINC000891608345 591146071 /nfs/dbraw/zinc/14/60/71/591146071.db2.gz VEUUJYUQQZZXEF-LBPRGKRZSA-N 1 2 349.818 1.501 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2OC)C1 ZINC000891608345 591146072 /nfs/dbraw/zinc/14/60/72/591146072.db2.gz VEUUJYUQQZZXEF-LBPRGKRZSA-N 1 2 349.818 1.501 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnn(C4CCC4)c3)CC2)c1C#N ZINC000893949793 591147441 /nfs/dbraw/zinc/14/74/41/591147441.db2.gz YCZNUALUCPPBPF-UHFFFAOYSA-N 1 2 339.447 1.844 20 30 EDEDLO C#CC1(O)CN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)C1 ZINC000891644595 591164419 /nfs/dbraw/zinc/16/44/19/591164419.db2.gz LCSNMWJOOHLZMK-CQSZACIVSA-N 1 2 344.802 1.552 20 30 EDEDLO C[C@H](NC(=O)N(C)Cc1cc(C#N)cs1)[C@H](C)[NH+]1CCOCC1 ZINC000892840201 591199641 /nfs/dbraw/zinc/19/96/41/591199641.db2.gz ZDEWGHZBZMEMLD-STQMWFEESA-N 1 2 336.461 1.870 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](C/C(C)=C\c2ccccc2)CC1 ZINC000895915562 591303684 /nfs/dbraw/zinc/30/36/84/591303684.db2.gz BSTYTYJACQKTHY-PEZBUJJGSA-N 1 2 333.457 1.175 20 30 EDEDLO CS(C)(=O)=NC(=O)[C@@H]1CCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000895202881 591654529 /nfs/dbraw/zinc/65/45/29/591654529.db2.gz WJQAYYJYXPAETE-AWEZNQCLSA-N 1 2 345.428 1.425 20 30 EDEDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3nc(C#N)cs3)[nH+]cn2)C1 ZINC000896930579 591687360 /nfs/dbraw/zinc/68/73/60/591687360.db2.gz QTYIADVXORBUEI-QWRGUYRKSA-N 1 2 330.417 1.624 20 30 EDEDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3nc(C#N)cs3)nc[nH+]2)C1 ZINC000896930579 591687362 /nfs/dbraw/zinc/68/73/62/591687362.db2.gz QTYIADVXORBUEI-QWRGUYRKSA-N 1 2 330.417 1.624 20 30 EDEDLO Cc1cccn2c(CN3C[C@@H]4CS(=O)(=O)C[C@]4(C#N)C3)c[nH+]c12 ZINC000897061295 591728267 /nfs/dbraw/zinc/72/82/67/591728267.db2.gz HHVGIOWFJWEGJP-CJNGLKHVSA-N 1 2 330.413 1.013 20 30 EDEDLO CC(C)(CNC(=O)c1[nH]c2ccccc2c1C#N)[NH+]1CCOCC1 ZINC000895414083 591748975 /nfs/dbraw/zinc/74/89/75/591748975.db2.gz KARVXCOMEIVRKA-UHFFFAOYSA-N 1 2 326.400 1.880 20 30 EDEDLO Cc1cccc2[nH+]c(CCNC(=O)N3CCO[C@@](C)(C#N)C3)cn21 ZINC000895536018 591795004 /nfs/dbraw/zinc/79/50/04/591795004.db2.gz SOLDVDVJULKZRZ-KRWDZBQOSA-N 1 2 327.388 1.509 20 30 EDEDLO Cc1nc(N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)cc[nH+]1 ZINC000897282224 591813948 /nfs/dbraw/zinc/81/39/48/591813948.db2.gz FPNCEIBXRIQHSF-UHFFFAOYSA-N 1 2 343.416 1.145 20 30 EDEDLO N#Cc1c2ccccc2[nH]c1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000899969375 591849281 /nfs/dbraw/zinc/84/92/81/591849281.db2.gz LXFZTTZOSCKJHQ-AWEZNQCLSA-N 1 2 338.411 1.976 20 30 EDEDLO CN(C)c1ccc(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)c[nH+]1 ZINC000902234531 591952221 /nfs/dbraw/zinc/95/22/21/591952221.db2.gz HMHYUYPJJAGGOC-LJQANCHMSA-N 1 2 349.394 1.986 20 30 EDEDLO CCOC(=O)c1cn(C[NH+]2CCC3(CC2)CC(=O)C=CO3)nc1C ZINC000902600073 592022545 /nfs/dbraw/zinc/02/25/45/592022545.db2.gz PMIQCEFPUFKODP-UHFFFAOYSA-N 1 2 333.388 1.663 20 30 EDEDLO O=C1C[C@H]([C@@H]2CCCO2)CN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902607323 592024278 /nfs/dbraw/zinc/02/42/78/592024278.db2.gz HKNRBUKCVDJIPZ-HOCLYGCPSA-N 1 2 334.416 1.309 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000900691026 592096157 /nfs/dbraw/zinc/09/61/57/592096157.db2.gz VVKLJUNXMTVYHQ-JKSUJKDBSA-N 1 2 349.475 1.847 20 30 EDEDLO N#C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)CCN1Cc1ccccc1 ZINC000900720661 592104053 /nfs/dbraw/zinc/10/40/53/592104053.db2.gz WCQFZVNGJGIDTN-QGZVFWFLSA-N 1 2 335.411 1.730 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000900783906 592123235 /nfs/dbraw/zinc/12/32/35/592123235.db2.gz QBEZQRQHUIAHRN-WAVCKPEOSA-N 1 2 330.428 1.818 20 30 EDEDLO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(F)(F)c2ccccc2C#N)C[C@@H]1C ZINC000900846660 592146534 /nfs/dbraw/zinc/14/65/34/592146534.db2.gz SPSVEDMRVOWUFR-QWHCGFSZSA-N 1 2 337.370 1.564 20 30 EDEDLO C[C@@H](O)C[N@H+]1CCN(C(=O)C(F)(F)c2ccccc2C#N)C[C@@H]1C ZINC000900846660 592146536 /nfs/dbraw/zinc/14/65/36/592146536.db2.gz SPSVEDMRVOWUFR-QWHCGFSZSA-N 1 2 337.370 1.564 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000908072516 592306241 /nfs/dbraw/zinc/30/62/41/592306241.db2.gz JXXNUBRHGBZBCF-QZTJIDSGSA-N 1 2 327.428 1.649 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000908072516 592306243 /nfs/dbraw/zinc/30/62/43/592306243.db2.gz JXXNUBRHGBZBCF-QZTJIDSGSA-N 1 2 327.428 1.649 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@H]2CSc3ccccc32)no1 ZINC000904123150 592430159 /nfs/dbraw/zinc/43/01/59/592430159.db2.gz HIYZMNPMDLOSOP-RYUDHWBXSA-N 1 2 331.397 1.906 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000907176999 592535613 /nfs/dbraw/zinc/53/56/13/592535613.db2.gz ZRPFKUVZPPVSGD-QGZVFWFLSA-N 1 2 348.468 1.401 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2C[C@H](OC)C[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000907254599 592572768 /nfs/dbraw/zinc/57/27/68/592572768.db2.gz MWOOWUGHVZUHQQ-HIFRSBDPSA-N 1 2 331.397 1.542 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cc1 ZINC000907263019 592575881 /nfs/dbraw/zinc/57/58/81/592575881.db2.gz RETBWSRKTKOYRX-IAGOWNOFSA-N 1 2 348.468 1.446 20 30 EDEDLO C=CC[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC ZINC000905771065 592641326 /nfs/dbraw/zinc/64/13/26/592641326.db2.gz GWOVYHFRWAUFPD-OLZOCXBDSA-N 1 2 328.409 1.330 20 30 EDEDLO Cc1cc(C)nc(C2C[NH+](C[C@H](O)COc3ccccc3C#N)C2)n1 ZINC000905986856 592705267 /nfs/dbraw/zinc/70/52/67/592705267.db2.gz LHXHILNZSLDVQH-KRWDZBQOSA-N 1 2 338.411 1.804 20 30 EDEDLO N#Cc1ccccc1C(F)(F)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909024225 592716831 /nfs/dbraw/zinc/71/68/31/592716831.db2.gz ADCVVXQSBUYFLS-OKILXGFUSA-N 1 2 335.354 1.629 20 30 EDEDLO N#Cc1ccccc1C(F)(F)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000909024225 592716833 /nfs/dbraw/zinc/71/68/33/592716833.db2.gz ADCVVXQSBUYFLS-OKILXGFUSA-N 1 2 335.354 1.629 20 30 EDEDLO CC(C)CCN(CCC#N)C(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000906567476 592855200 /nfs/dbraw/zinc/85/52/00/592855200.db2.gz VMIOXIGHHJEXHZ-AWEZNQCLSA-N 1 2 334.420 1.643 20 30 EDEDLO CC(C)CCN(CCC#N)C(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000906567476 592855201 /nfs/dbraw/zinc/85/52/01/592855201.db2.gz VMIOXIGHHJEXHZ-AWEZNQCLSA-N 1 2 334.420 1.643 20 30 EDEDLO Cn1cc[nH+]c1CNc1ccc(C(=O)N2CC[C@](O)(CC#N)C2)cc1 ZINC000911526503 592941756 /nfs/dbraw/zinc/94/17/56/592941756.db2.gz IKSFOAPNOJTRIW-GOSISDBHSA-N 1 2 339.399 1.523 20 30 EDEDLO C[C@H](C#N)OCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838101877 593124772 /nfs/dbraw/zinc/12/47/72/593124772.db2.gz LZYBLVDGBCPYEF-LLVKDONJSA-N 1 2 330.300 1.866 20 30 EDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000839501083 593311721 /nfs/dbraw/zinc/31/17/21/593311721.db2.gz UHPQCLYWUUMSLL-JKSUJKDBSA-N 1 2 326.396 1.242 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000803520220 593339293 /nfs/dbraw/zinc/33/92/93/593339293.db2.gz JOIPGYUZDKNNBY-KRWDZBQOSA-N 1 2 329.444 1.194 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000803520220 593339295 /nfs/dbraw/zinc/33/92/95/593339295.db2.gz JOIPGYUZDKNNBY-KRWDZBQOSA-N 1 2 329.444 1.194 20 30 EDEDLO N#CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000809573220 593346947 /nfs/dbraw/zinc/34/69/47/593346947.db2.gz FCGGBRBGLSOOLY-GFCCVEGCSA-N 1 2 325.771 1.511 20 30 EDEDLO CC[C@](C)(C#N)C(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000803781187 593363062 /nfs/dbraw/zinc/36/30/62/593363062.db2.gz DZGDDHOTKDFGIN-QGZVFWFLSA-N 1 2 333.388 1.407 20 30 EDEDLO COCCCNC(=O)[C@H](C#N)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810527089 593409594 /nfs/dbraw/zinc/40/95/94/593409594.db2.gz HNIKPWGHHLQSTD-MLGOLLRUSA-N 1 2 327.400 1.060 20 30 EDEDLO COCCCNC(=O)[C@H](C#N)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810527089 593409595 /nfs/dbraw/zinc/40/95/95/593409595.db2.gz HNIKPWGHHLQSTD-MLGOLLRUSA-N 1 2 327.400 1.060 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)COC[C@@H]3CCCO3)CCO2)c1 ZINC000761763444 593421370 /nfs/dbraw/zinc/42/13/70/593421370.db2.gz RPTKGLLCIDTGHM-FHWLQOOXSA-N 1 2 346.427 1.488 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)CCO2)c1 ZINC000761763444 593421372 /nfs/dbraw/zinc/42/13/72/593421372.db2.gz RPTKGLLCIDTGHM-FHWLQOOXSA-N 1 2 346.427 1.488 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000805470769 593455997 /nfs/dbraw/zinc/45/59/97/593455997.db2.gz WYJMICFAUUYMHW-CABCVRRESA-N 1 2 332.356 1.036 20 30 EDEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000805470769 593455999 /nfs/dbraw/zinc/45/59/99/593455999.db2.gz WYJMICFAUUYMHW-CABCVRRESA-N 1 2 332.356 1.036 20 30 EDEDLO CN(C)c1ncc(C=[NH+]Nc2nc3ccccc3c(=O)n2C)n1C ZINC000811635558 593475472 /nfs/dbraw/zinc/47/54/72/593475472.db2.gz BTQHCSFUKLKQNG-UHFFFAOYSA-N 1 2 325.376 1.179 20 30 EDEDLO C#C[C@@H](CC)NC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000812037540 593488954 /nfs/dbraw/zinc/48/89/54/593488954.db2.gz YNNBPOLCNCMRIW-BBRMVZONSA-N 1 2 339.399 1.237 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000812873128 593511716 /nfs/dbraw/zinc/51/17/16/593511716.db2.gz QMHZDEOEQQNXJO-MRXNPFEDSA-N 1 2 345.399 1.504 20 30 EDEDLO N#CCCOCCOC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000815213567 593620825 /nfs/dbraw/zinc/62/08/25/593620825.db2.gz JECPAXLJXWRKJN-QGZVFWFLSA-N 1 2 332.400 1.751 20 30 EDEDLO N#CCCOCCOC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000815213567 593620826 /nfs/dbraw/zinc/62/08/26/593620826.db2.gz JECPAXLJXWRKJN-QGZVFWFLSA-N 1 2 332.400 1.751 20 30 EDEDLO C=CC1CC[NH+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819729981 593765896 /nfs/dbraw/zinc/76/58/96/593765896.db2.gz OPHCHQJCZQKHDQ-UHFFFAOYSA-N 1 2 347.444 1.538 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc(OCC#N)c2)[C@H](C)CO1 ZINC000820004873 593782666 /nfs/dbraw/zinc/78/26/66/593782666.db2.gz JHABIPGEUQGTJG-ZIAGYGMSSA-N 1 2 332.404 1.820 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc(OCC#N)c2)[C@H](C)CO1 ZINC000820004873 593782667 /nfs/dbraw/zinc/78/26/67/593782667.db2.gz JHABIPGEUQGTJG-ZIAGYGMSSA-N 1 2 332.404 1.820 20 30 EDEDLO C#C[C@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000820476639 593822044 /nfs/dbraw/zinc/82/20/44/593822044.db2.gz FLYPKYSTDRRQIQ-PBHICJAKSA-N 1 2 333.407 1.862 20 30 EDEDLO C#CCCCOc1cccnc1N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000820675003 593860224 /nfs/dbraw/zinc/86/02/24/593860224.db2.gz DOYNBGWZTPJAEZ-INIZCTEOSA-N 1 2 333.432 1.003 20 30 EDEDLO C(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)c1c[nH]c2ccc(-c3nn[nH]n3)cc12 ZINC000823861233 593874406 /nfs/dbraw/zinc/87/44/06/593874406.db2.gz AJRDCMXHKKSSIS-GASCZTMLSA-N 1 2 349.402 1.542 20 30 EDEDLO O=C(C#Cc1cccs1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000824196087 593952993 /nfs/dbraw/zinc/95/29/93/593952993.db2.gz OITFJOLGFYWWQT-UHFFFAOYSA-N 1 2 327.409 1.648 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000822582738 594069605 /nfs/dbraw/zinc/06/96/05/594069605.db2.gz HAPMWQQNEZVFOF-INIZCTEOSA-N 1 2 327.428 1.938 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000822582738 594069607 /nfs/dbraw/zinc/06/96/07/594069607.db2.gz HAPMWQQNEZVFOF-INIZCTEOSA-N 1 2 327.428 1.938 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000825080162 594127370 /nfs/dbraw/zinc/12/73/70/594127370.db2.gz IFABIZIUBVPNOZ-FUHWJXTLSA-N 1 2 330.428 1.814 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000825080162 594127372 /nfs/dbraw/zinc/12/73/72/594127372.db2.gz IFABIZIUBVPNOZ-FUHWJXTLSA-N 1 2 330.428 1.814 20 30 EDEDLO Cc1ccc(-c2nn[nH]n2)c(N2CCN(c3ccc(C#N)cn3)CC2)[nH+]1 ZINC000826275110 594406925 /nfs/dbraw/zinc/40/69/25/594406925.db2.gz OXBMMTTTWIFBAP-UHFFFAOYSA-N 1 2 347.386 1.163 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000830627817 594442899 /nfs/dbraw/zinc/44/28/99/594442899.db2.gz OFVXYHBVWTXKAA-BFERYNQYSA-N 1 2 330.428 1.560 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCOC[C@H](O)C1 ZINC000830627817 594442900 /nfs/dbraw/zinc/44/29/00/594442900.db2.gz OFVXYHBVWTXKAA-BFERYNQYSA-N 1 2 330.428 1.560 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC000826550501 594522794 /nfs/dbraw/zinc/52/27/94/594522794.db2.gz SXEOFJCIXJPHOO-IBGZPJMESA-N 1 2 331.460 1.407 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC000826550501 594522795 /nfs/dbraw/zinc/52/27/95/594522795.db2.gz SXEOFJCIXJPHOO-IBGZPJMESA-N 1 2 331.460 1.407 20 30 EDEDLO C[N@@H+]1CCn2nc(NC(=O)Cc3ccc(OCC#N)cc3)cc2C1 ZINC000829446393 594615224 /nfs/dbraw/zinc/61/52/24/594615224.db2.gz QCMASLNYHQNPRS-UHFFFAOYSA-N 1 2 325.372 1.412 20 30 EDEDLO C[N@H+]1CCn2nc(NC(=O)Cc3ccc(OCC#N)cc3)cc2C1 ZINC000829446393 594615225 /nfs/dbraw/zinc/61/52/25/594615225.db2.gz QCMASLNYHQNPRS-UHFFFAOYSA-N 1 2 325.372 1.412 20 30 EDEDLO N#Cc1cccc([C@H]2CN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)CCO2)c1 ZINC000831414933 594626691 /nfs/dbraw/zinc/62/66/91/594626691.db2.gz ZFFPMPPLEVBPTO-MAUKXSAKSA-N 1 2 336.395 1.986 20 30 EDEDLO N#Cc1cccc([C@H]2CN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)CCO2)c1 ZINC000831414933 594626693 /nfs/dbraw/zinc/62/66/93/594626693.db2.gz ZFFPMPPLEVBPTO-MAUKXSAKSA-N 1 2 336.395 1.986 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cn2cc(Br)ncc2n1 ZINC000832341636 594743711 /nfs/dbraw/zinc/74/37/11/594743711.db2.gz JYQDSVXUKDGBDH-JTQLQIEISA-N 1 2 348.204 1.528 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cn2cc(Br)ncc2n1 ZINC000832341636 594743712 /nfs/dbraw/zinc/74/37/12/594743712.db2.gz JYQDSVXUKDGBDH-JTQLQIEISA-N 1 2 348.204 1.528 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(C)cccc2Cl)CC1 ZINC000841479404 594906573 /nfs/dbraw/zinc/90/65/73/594906573.db2.gz OGNUWNSUQJTSAE-UHFFFAOYSA-N 1 2 326.849 1.978 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@@H](c2cccs2)[NH+]2CCOCC2)C1=O ZINC000842236913 595048249 /nfs/dbraw/zinc/04/82/49/595048249.db2.gz XDZVUGKEYAWYOY-STQMWFEESA-N 1 2 333.413 1.065 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC000106028557 595055674 /nfs/dbraw/zinc/05/56/74/595055674.db2.gz KJKPCAOYBNTXCJ-UHFFFAOYSA-N 1 2 339.399 1.280 20 30 EDEDLO CN(C)S(=O)(=O)CCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067093 595081739 /nfs/dbraw/zinc/08/17/39/595081739.db2.gz GHNFATPTJQZEFG-UHFFFAOYSA-N 1 2 333.841 1.453 20 30 EDEDLO C=C(C)CONC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000846536214 595269637 /nfs/dbraw/zinc/26/96/37/595269637.db2.gz YDGXOCJFHGMMRD-UHFFFAOYSA-N 1 2 326.418 1.259 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844277360 595315426 /nfs/dbraw/zinc/31/54/26/595315426.db2.gz ACVZPRGMKINOSK-CZUORRHYSA-N 1 2 327.388 1.518 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000846993576 595348238 /nfs/dbraw/zinc/34/82/38/595348238.db2.gz OKYKWVBDEISQBE-JTQLQIEISA-N 1 2 334.445 1.946 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc3n2c2ccc(C)cc2c(=O)n3C)C1 ZINC000847030377 595353586 /nfs/dbraw/zinc/35/35/86/595353586.db2.gz MQGOOACRQXVNGH-AWEZNQCLSA-N 1 2 335.411 1.735 20 30 EDEDLO C#C[C@H]1CCC[N@H+](Cc2nnc3n2c2ccc(C)cc2c(=O)n3C)C1 ZINC000847030377 595353588 /nfs/dbraw/zinc/35/35/88/595353588.db2.gz MQGOOACRQXVNGH-AWEZNQCLSA-N 1 2 335.411 1.735 20 30 EDEDLO Cc1sc(Br)nc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844528396 595355289 /nfs/dbraw/zinc/35/52/89/595355289.db2.gz VNWPNLSNZFNHNU-LLVKDONJSA-N 1 2 331.239 1.788 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000847265153 595381722 /nfs/dbraw/zinc/38/17/22/595381722.db2.gz WJYPEUVTSOHQJQ-IEBWSBKVSA-N 1 2 341.455 1.942 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000847265153 595381723 /nfs/dbraw/zinc/38/17/23/595381723.db2.gz WJYPEUVTSOHQJQ-IEBWSBKVSA-N 1 2 341.455 1.942 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](CC(=O)Nc1cnn(CC#N)c1)C(F)(F)F ZINC000847408298 595413003 /nfs/dbraw/zinc/41/30/03/595413003.db2.gz JGQVQOBANUTDSC-SNVBAGLBSA-N 1 2 326.282 1.815 20 30 EDEDLO C=C(C)CNC(=S)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000853047718 595649039 /nfs/dbraw/zinc/64/90/39/595649039.db2.gz HVPBREISUSEHAY-QGZVFWFLSA-N 1 2 332.517 1.843 20 30 EDEDLO C=C(C)CNC(=S)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000853047718 595649045 /nfs/dbraw/zinc/64/90/45/595649045.db2.gz HVPBREISUSEHAY-QGZVFWFLSA-N 1 2 332.517 1.843 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1NCCCN1CCCS1(=O)=O ZINC000853252092 595720023 /nfs/dbraw/zinc/72/00/23/595720023.db2.gz JHUGPUZBEYYZGR-UHFFFAOYSA-N 1 2 337.445 1.711 20 30 EDEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000858219329 595733698 /nfs/dbraw/zinc/73/36/98/595733698.db2.gz IDWNSNVGERMFNV-JKSUJKDBSA-N 1 2 346.431 1.497 20 30 EDEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000858219329 595733699 /nfs/dbraw/zinc/73/36/99/595733699.db2.gz IDWNSNVGERMFNV-JKSUJKDBSA-N 1 2 346.431 1.497 20 30 EDEDLO N#Cc1ccc(CC(=O)O[C@@H]2CCC[N@H+](Cc3ncccn3)C2)cn1 ZINC000860715242 595772217 /nfs/dbraw/zinc/77/22/17/595772217.db2.gz RGDXAKXIRKBYDT-MRXNPFEDSA-N 1 2 337.383 1.494 20 30 EDEDLO N#Cc1ccc(CC(=O)O[C@@H]2CCC[N@@H+](Cc3ncccn3)C2)cn1 ZINC000860715242 595772219 /nfs/dbraw/zinc/77/22/19/595772219.db2.gz RGDXAKXIRKBYDT-MRXNPFEDSA-N 1 2 337.383 1.494 20 30 EDEDLO C#CCOCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1 ZINC000851778659 595920329 /nfs/dbraw/zinc/92/03/29/595920329.db2.gz HQEGCORLXDNSLW-QGZVFWFLSA-N 1 2 344.455 1.810 20 30 EDEDLO C#CCCOC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000858921991 595923394 /nfs/dbraw/zinc/92/33/94/595923394.db2.gz QYFCRKOOJBBHHM-UHFFFAOYSA-N 1 2 332.400 1.647 20 30 EDEDLO N#Cc1ccc(CNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)nc1 ZINC000854010436 595951709 /nfs/dbraw/zinc/95/17/09/595951709.db2.gz ODWBXCKDAPVCKP-UHFFFAOYSA-N 1 2 343.431 1.207 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000854113249 595978691 /nfs/dbraw/zinc/97/86/91/595978691.db2.gz LLQKFYKBYDZAHA-CVEARBPZSA-N 1 2 345.443 1.607 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000854113249 595978694 /nfs/dbraw/zinc/97/86/94/595978694.db2.gz LLQKFYKBYDZAHA-CVEARBPZSA-N 1 2 345.443 1.607 20 30 EDEDLO Cn1c(Cl)cnc1C[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000859239848 596013896 /nfs/dbraw/zinc/01/38/96/596013896.db2.gz RHVCGDCQDQUSTL-CYBMUJFWSA-N 1 2 334.807 1.817 20 30 EDEDLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000859239848 596013902 /nfs/dbraw/zinc/01/39/02/596013902.db2.gz RHVCGDCQDQUSTL-CYBMUJFWSA-N 1 2 334.807 1.817 20 30 EDEDLO N#Cc1ccc(CC(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)cc1 ZINC000856608723 596033447 /nfs/dbraw/zinc/03/34/47/596033447.db2.gz SUGRHQJLEPUWDV-ZWKOTPCHSA-N 1 2 348.406 1.478 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000859598475 596142837 /nfs/dbraw/zinc/14/28/37/596142837.db2.gz FSYPNONVJKPUER-OWCLPIDISA-N 1 2 346.383 1.018 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000859598475 596142839 /nfs/dbraw/zinc/14/28/39/596142839.db2.gz FSYPNONVJKPUER-OWCLPIDISA-N 1 2 346.383 1.018 20 30 EDEDLO N#CCCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852532775 596191368 /nfs/dbraw/zinc/19/13/68/596191368.db2.gz PKMTXHUNPUVSNF-UHFFFAOYSA-N 1 2 345.188 1.823 20 30 EDEDLO C#C[C@H](NC(=O)N1CCN(c2c[nH+]ccc2C)CC1)C1CCOCC1 ZINC000852638731 596215898 /nfs/dbraw/zinc/21/58/98/596215898.db2.gz FYYKZBKJJAALNZ-KRWDZBQOSA-N 1 2 342.443 1.650 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCN(c2c[nH+]ccc2C)CC1)C1CCOCC1 ZINC000852638736 596216003 /nfs/dbraw/zinc/21/60/03/596216003.db2.gz FYYKZBKJJAALNZ-QGZVFWFLSA-N 1 2 342.443 1.650 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2[nH+]ccn2C)n1 ZINC000852689336 596227902 /nfs/dbraw/zinc/22/79/02/596227902.db2.gz XVKDWVLOBHXGCP-CQSZACIVSA-N 1 2 344.419 1.169 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000122221718 596241679 /nfs/dbraw/zinc/24/16/79/596241679.db2.gz QTYUJDIBJRVAOI-INIZCTEOSA-N 1 2 342.443 1.397 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000866598865 596265261 /nfs/dbraw/zinc/26/52/61/596265261.db2.gz TVHZYALMULSTJJ-LBPRGKRZSA-N 1 2 339.288 1.541 20 30 EDEDLO C=CCCO[C@H](C)C(=O)O[C@@H]1C[C@@H]2C(=O)NCc3ccc[nH+]c3N2C1 ZINC000870522222 596270306 /nfs/dbraw/zinc/27/03/06/596270306.db2.gz JZQPLZNYWGBGSC-BPLDGKMQSA-N 1 2 345.399 1.183 20 30 EDEDLO CO[C@@H]1C[C@@H]2CN(C(=O)C3(C#N)CC(C)C3)Cc3ccc[nH+]c3N2C1 ZINC000870538204 596275955 /nfs/dbraw/zinc/27/59/55/596275955.db2.gz NPUYMZDODZSKDT-BYGOXVSRSA-N 1 2 340.427 1.957 20 30 EDEDLO N#C[C@@]1(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CCCOC1 ZINC000866718312 596309003 /nfs/dbraw/zinc/30/90/03/596309003.db2.gz ZPVPLFJXUHRQDJ-SFHVURJKSA-N 1 2 331.391 1.790 20 30 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C#CC[NH+]1CCC(NS(=O)(=O)c2c(F)cc(OC)cc2F)CC1 ZINC000921438494 697613232 /nfs/dbraw/zinc/61/32/32/697613232.db2.gz BYZVFWFXJJEGBA-UHFFFAOYSA-N 1 2 344.383 1.349 20 30 EDEDLO C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060754843 698199332 /nfs/dbraw/zinc/19/93/32/698199332.db2.gz IFTGQQIVYTYNOI-WKILWMFISA-N 1 2 330.432 1.478 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000943368241 698203855 /nfs/dbraw/zinc/20/38/55/698203855.db2.gz ODXJIDSRRQZJMU-UONOGXRCSA-N 1 2 339.399 1.605 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001031745078 698350772 /nfs/dbraw/zinc/35/07/72/698350772.db2.gz GQTJEWNCVWKKSA-AWEZNQCLSA-N 1 2 335.839 1.246 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(-n3cncn3)cc2)C1 ZINC001031748471 698908034 /nfs/dbraw/zinc/90/80/34/698908034.db2.gz YWTPWQWLICBPFB-UHFFFAOYSA-N 1 2 331.807 1.681 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)C1 ZINC000941475954 701551637 /nfs/dbraw/zinc/55/16/37/701551637.db2.gz FJLMXUQAUBDGTL-UHFFFAOYSA-N 1 2 336.439 1.633 20 30 EDEDLO C=C1CCC(C(=O)N2C[C@H]([NH2+]Cc3nc(N(C)C)no3)[C@@H](C)C2)CC1 ZINC000939050767 699110036 /nfs/dbraw/zinc/11/00/36/699110036.db2.gz UMOLPEWEDUBNCH-ZFWWWQNUSA-N 1 2 347.463 1.819 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CCOC)no3)C2)C1 ZINC000939103442 699166406 /nfs/dbraw/zinc/16/64/06/699166406.db2.gz SIUCNOJLZXIBFZ-ZIAGYGMSSA-N 1 2 348.447 1.551 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@@H]1CCn2ccnc2C1 ZINC001031782756 699204244 /nfs/dbraw/zinc/20/42/44/699204244.db2.gz LHLJZUDDXDRVAU-LJQANCHMSA-N 1 2 348.450 1.545 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(C)(C)C)oc3C)CC2)C1 ZINC000941580137 701588600 /nfs/dbraw/zinc/58/86/00/701588600.db2.gz RJADUGWUYFVHOQ-UHFFFAOYSA-N 1 2 343.471 1.961 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCc4ccccc43)CC2)C1 ZINC000941609810 701595649 /nfs/dbraw/zinc/59/56/49/701595649.db2.gz VXCRSPIESFYNRP-GOSISDBHSA-N 1 2 337.467 1.568 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C(F)F)cc3)CC2)C1 ZINC000941604097 701593796 /nfs/dbraw/zinc/59/37/96/701593796.db2.gz SGNRSYVBPPRSPK-UHFFFAOYSA-N 1 2 333.382 1.699 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCO[C@H](CC)C3)CC2)C1 ZINC000941632652 701600855 /nfs/dbraw/zinc/60/08/55/701600855.db2.gz MXHHDRCMACADGE-FUHWJXTLSA-N 1 2 333.476 1.043 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nc(CC)no3)C2)cn1 ZINC000939567865 699710608 /nfs/dbraw/zinc/71/06/08/699710608.db2.gz OTIBCXJZNUEHHF-DOMZBBRYSA-N 1 2 339.399 1.259 20 30 EDEDLO CC(C)(C)C(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941646890 701610365 /nfs/dbraw/zinc/61/03/65/701610365.db2.gz QREMTSHBFCQXKO-UHFFFAOYSA-N 1 2 340.471 1.933 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)[C@H]3CCCO3)CC2)C1 ZINC000941650915 701611630 /nfs/dbraw/zinc/61/16/30/701611630.db2.gz KBQKRUIGBHOFPG-FUHWJXTLSA-N 1 2 333.476 1.043 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000941669768 701612730 /nfs/dbraw/zinc/61/27/30/701612730.db2.gz KLUZHAZONXWHGS-SFHVURJKSA-N 1 2 332.448 1.626 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc(-n3cncn3)c2)C1 ZINC001031966216 701615184 /nfs/dbraw/zinc/61/51/84/701615184.db2.gz ZNXSYYGNSXEBPD-UHFFFAOYSA-N 1 2 331.807 1.681 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4oc(C)nc43)CC2)C1 ZINC000941682375 701627028 /nfs/dbraw/zinc/62/70/28/701627028.db2.gz QCXAOZQCAWLMBE-UHFFFAOYSA-N 1 2 338.411 1.211 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)C1 ZINC000945516419 700440784 /nfs/dbraw/zinc/44/07/84/700440784.db2.gz UUOQAUWDGPWNFU-KGLIPLIRSA-N 1 2 330.432 1.662 20 30 EDEDLO COCc1nocc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032122645 701660134 /nfs/dbraw/zinc/66/01/34/701660134.db2.gz ZCZVQXJWZBECCG-UHFFFAOYSA-N 1 2 340.383 1.554 20 30 EDEDLO C=C1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000940707343 700854782 /nfs/dbraw/zinc/85/47/82/700854782.db2.gz WBNDNBLMOZPSPX-CZUORRHYSA-N 1 2 330.432 1.662 20 30 EDEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CCN(CC#N)CC1(C)C)C2 ZINC000940850480 700937007 /nfs/dbraw/zinc/93/70/07/700937007.db2.gz GFAIEDUXSBFCON-XJKSGUPXSA-N 1 2 329.448 1.563 20 30 EDEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCN(CC#N)CC1(C)C)CC2 ZINC000940850480 700937008 /nfs/dbraw/zinc/93/70/08/700937008.db2.gz GFAIEDUXSBFCON-XJKSGUPXSA-N 1 2 329.448 1.563 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ncc2n1CCCC2 ZINC001032196179 701676283 /nfs/dbraw/zinc/67/62/83/701676283.db2.gz HTNKPWZJJCFKIK-UHFFFAOYSA-N 1 2 348.450 1.933 20 30 EDEDLO CSCC(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941298014 701454126 /nfs/dbraw/zinc/45/41/26/701454126.db2.gz QTEQEQIVEJTOFC-UHFFFAOYSA-N 1 2 344.484 1.250 20 30 EDEDLO Cc1nocc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031945584 701496896 /nfs/dbraw/zinc/49/68/96/701496896.db2.gz LLRBAGDYAYCQTN-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC000999183777 706611456 /nfs/dbraw/zinc/61/14/56/706611456.db2.gz XJGQDKSGYPLBIH-ZNMIVQPWSA-N 1 2 348.447 1.694 20 30 EDEDLO O=C(C#CC1CC1)N1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000944010055 701875383 /nfs/dbraw/zinc/87/53/83/701875383.db2.gz WJGYCIDKQHSGGJ-OAHLLOKOSA-N 1 2 336.395 1.697 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001031976421 701961591 /nfs/dbraw/zinc/96/15/91/701961591.db2.gz LGFYBPPYYIKMOX-IBGZPJMESA-N 1 2 346.434 1.916 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC000942130996 702635361 /nfs/dbraw/zinc/63/53/61/702635361.db2.gz QYVLGCHFGNIJFC-UKRRQHHQSA-N 1 2 342.447 1.741 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2nnc(C)[nH]2)C[C@H]1C ZINC000942130996 702635362 /nfs/dbraw/zinc/63/53/62/702635362.db2.gz QYVLGCHFGNIJFC-UKRRQHHQSA-N 1 2 342.447 1.741 20 30 EDEDLO C=C(Br)C[NH2+][C@H]1CN(C(=O)Cc2ncn[nH]2)CC1(C)C ZINC000996499391 702838585 /nfs/dbraw/zinc/83/85/85/702838585.db2.gz BVLUHLCHWARWMO-JTQLQIEISA-N 1 2 342.241 1.082 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](C)C1 ZINC000942498484 702988868 /nfs/dbraw/zinc/98/88/68/702988868.db2.gz ZMCYVHGVEVDSIX-PWSUYJOCSA-N 1 2 340.807 1.841 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](C)C1 ZINC000942498484 702988870 /nfs/dbraw/zinc/98/88/70/702988870.db2.gz ZMCYVHGVEVDSIX-PWSUYJOCSA-N 1 2 340.807 1.841 20 30 EDEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO[C@@H]2CC2(F)F)c[nH]1 ZINC001032364592 703251091 /nfs/dbraw/zinc/25/10/91/703251091.db2.gz LAAADKYAIFZEFC-MELADBBJSA-N 1 2 336.342 1.209 20 30 EDEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO[C@@H]2CC2(F)F)c[nH]1 ZINC001032364592 703251092 /nfs/dbraw/zinc/25/10/92/703251092.db2.gz LAAADKYAIFZEFC-MELADBBJSA-N 1 2 336.342 1.209 20 30 EDEDLO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032394039 703391573 /nfs/dbraw/zinc/39/15/73/703391573.db2.gz XYSLSOAKQIOBQN-SZMVWBNQSA-N 1 2 343.471 1.332 20 30 EDEDLO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032394039 703391575 /nfs/dbraw/zinc/39/15/75/703391575.db2.gz XYSLSOAKQIOBQN-SZMVWBNQSA-N 1 2 343.471 1.332 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997309764 703567225 /nfs/dbraw/zinc/56/72/25/703567225.db2.gz SKDVLQDDGBLEHA-WQVCFCJDSA-N 1 2 334.420 1.377 20 30 EDEDLO C=C(Br)C[NH+]1CCC([C@@H](C)NC(=O)c2nnc[nH]2)CC1 ZINC000997356482 703587391 /nfs/dbraw/zinc/58/73/91/703587391.db2.gz VBOAZBQNGBUTIZ-SNVBAGLBSA-N 1 2 342.241 1.544 20 30 EDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000921571390 703618716 /nfs/dbraw/zinc/61/87/16/703618716.db2.gz FHIGHMHHVKTTKJ-MRXNPFEDSA-N 1 2 346.431 1.477 20 30 EDEDLO C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CCN(CC#N)CC1 ZINC000997588079 703876001 /nfs/dbraw/zinc/87/60/01/703876001.db2.gz ZPJHHJZDZMRQDB-GUYCJALGSA-N 1 2 344.463 1.530 20 30 EDEDLO C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CCN(CC#N)CC1 ZINC000997588079 703876003 /nfs/dbraw/zinc/87/60/03/703876003.db2.gz ZPJHHJZDZMRQDB-GUYCJALGSA-N 1 2 344.463 1.530 20 30 EDEDLO N#CCN1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC[C@@H]2C1 ZINC000946597663 704292646 /nfs/dbraw/zinc/29/26/46/704292646.db2.gz FCIBKVZIQFBMJN-IYBDPMFKSA-N 1 2 341.459 1.456 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2ccccc2=O)CC1 ZINC001004445898 704428395 /nfs/dbraw/zinc/42/83/95/704428395.db2.gz JJZBNPHRDVXXLF-QGZVFWFLSA-N 1 2 342.443 1.465 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2ccccc2=O)CC1 ZINC001004445898 704428397 /nfs/dbraw/zinc/42/83/97/704428397.db2.gz JJZBNPHRDVXXLF-QGZVFWFLSA-N 1 2 342.443 1.465 20 30 EDEDLO C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC1(C)C)c1csnn1 ZINC000995676791 705340262 /nfs/dbraw/zinc/34/02/62/705340262.db2.gz INLPXWRXKGLWEG-IINYFYTJSA-N 1 2 344.444 1.939 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]Cc2ccon2)C1 ZINC000998257453 705613751 /nfs/dbraw/zinc/61/37/51/705613751.db2.gz DYHGJRWGZMRBOQ-KGLIPLIRSA-N 1 2 341.333 1.957 20 30 EDEDLO N#CCN[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000998273786 705654307 /nfs/dbraw/zinc/65/43/07/705654307.db2.gz CSMIMQCZRPDQKM-VXGBXAGGSA-N 1 2 329.326 1.166 20 30 EDEDLO Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)[nH]1 ZINC001032634303 705879209 /nfs/dbraw/zinc/87/92/09/705879209.db2.gz MQDGEMWRBDREPM-IRXDYDNUSA-N 1 2 335.411 1.997 20 30 EDEDLO Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)[nH]1 ZINC001032634303 705879212 /nfs/dbraw/zinc/87/92/12/705879212.db2.gz MQDGEMWRBDREPM-IRXDYDNUSA-N 1 2 335.411 1.997 20 30 EDEDLO CCOc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)s1 ZINC000999112481 706538855 /nfs/dbraw/zinc/53/88/55/706538855.db2.gz BNIANKQPRBMMOL-CYBMUJFWSA-N 1 2 334.445 1.431 20 30 EDEDLO CO[C@H](C)c1noc(C[NH2+][C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999131058 706566020 /nfs/dbraw/zinc/56/60/20/706566020.db2.gz ZDXBGPDTKPXWLY-OCCSQVGLSA-N 1 2 332.404 1.271 20 30 EDEDLO C[C@@H]([NH2+]Cc1cnsn1)[C@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001004806409 707311262 /nfs/dbraw/zinc/31/12/62/707311262.db2.gz FFICMWSNIZWSNE-IAQYHMDHSA-N 1 2 344.444 1.911 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033312761 707470547 /nfs/dbraw/zinc/47/05/47/707470547.db2.gz QSYIDCYLHAOBJG-JTQLQIEISA-N 1 2 333.442 1.818 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033312761 707470552 /nfs/dbraw/zinc/47/05/52/707470552.db2.gz QSYIDCYLHAOBJG-JTQLQIEISA-N 1 2 333.442 1.818 20 30 EDEDLO CN(C(=O)[C@@]1(F)CCOC1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033371608 707706538 /nfs/dbraw/zinc/70/65/38/707706538.db2.gz WGFPFEFHEKNEBS-CRAIPNDOSA-N 1 2 349.381 1.859 20 30 EDEDLO CN(C(=O)[C@@]1(F)CCOC1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033371608 707706543 /nfs/dbraw/zinc/70/65/43/707706543.db2.gz WGFPFEFHEKNEBS-CRAIPNDOSA-N 1 2 349.381 1.859 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO[C@@H]2CC2(F)F)nc1 ZINC001032738044 707763265 /nfs/dbraw/zinc/76/32/65/707763265.db2.gz OMHGAHJGFWBGRZ-OFQRWUPVSA-N 1 2 347.365 1.386 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO[C@@H]2CC2(F)F)nc1 ZINC001032738044 707763267 /nfs/dbraw/zinc/76/32/67/707763267.db2.gz OMHGAHJGFWBGRZ-OFQRWUPVSA-N 1 2 347.365 1.386 20 30 EDEDLO C=C(Cl)CN1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033219186 707772437 /nfs/dbraw/zinc/77/24/37/707772437.db2.gz GZIZZSXPWWVPTI-LBPRGKRZSA-N 1 2 326.828 1.635 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(C)n(C)n3)C2)c1 ZINC001033404876 707814077 /nfs/dbraw/zinc/81/40/77/707814077.db2.gz GHKWWRVRUBOCHR-GOSISDBHSA-N 1 2 337.427 1.451 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C2)c1 ZINC001033404876 707814079 /nfs/dbraw/zinc/81/40/79/707814079.db2.gz GHKWWRVRUBOCHR-GOSISDBHSA-N 1 2 337.427 1.451 20 30 EDEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](CNc2ccc(C#N)nc2)C1 ZINC001061035732 708428335 /nfs/dbraw/zinc/42/83/35/708428335.db2.gz NAKLKOLYVBWZCS-CQSZACIVSA-N 1 2 338.415 1.580 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCO2)C1 ZINC001033736111 708596790 /nfs/dbraw/zinc/59/67/90/708596790.db2.gz YIAKPSCQIXUCDU-QWHCGFSZSA-N 1 2 331.254 1.997 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCO2)C1 ZINC001033736111 708596792 /nfs/dbraw/zinc/59/67/92/708596792.db2.gz YIAKPSCQIXUCDU-QWHCGFSZSA-N 1 2 331.254 1.997 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2COCCO2)C1 ZINC001033760085 708640003 /nfs/dbraw/zinc/64/00/03/708640003.db2.gz DBKAURAXJVKYIJ-STQMWFEESA-N 1 2 347.253 1.233 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2COCCO2)C1 ZINC001033760085 708640006 /nfs/dbraw/zinc/64/00/06/708640006.db2.gz DBKAURAXJVKYIJ-STQMWFEESA-N 1 2 347.253 1.233 20 30 EDEDLO C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001033839900 708870445 /nfs/dbraw/zinc/87/04/45/708870445.db2.gz TWFWISLDGUWELE-CQSZACIVSA-N 1 2 338.429 1.243 20 30 EDEDLO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001033839900 708870447 /nfs/dbraw/zinc/87/04/47/708870447.db2.gz TWFWISLDGUWELE-CQSZACIVSA-N 1 2 338.429 1.243 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001033893952 709009361 /nfs/dbraw/zinc/00/93/61/709009361.db2.gz TXGGANYSPCQWAM-JKSUJKDBSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001033893952 709009363 /nfs/dbraw/zinc/00/93/63/709009363.db2.gz TXGGANYSPCQWAM-JKSUJKDBSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033923417 709079597 /nfs/dbraw/zinc/07/95/97/709079597.db2.gz TUZAGGQKENCXQG-IGQOVBAYSA-N 1 2 343.265 1.710 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033923417 709079599 /nfs/dbraw/zinc/07/95/99/709079599.db2.gz TUZAGGQKENCXQG-IGQOVBAYSA-N 1 2 343.265 1.710 20 30 EDEDLO CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)o1 ZINC001002551461 709098902 /nfs/dbraw/zinc/09/89/02/709098902.db2.gz LGUUPMCTDUSCOA-NSHDSACASA-N 1 2 342.403 1.787 20 30 EDEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002783427 709389325 /nfs/dbraw/zinc/38/93/25/709389325.db2.gz SIZUFQWYSRDKGE-IAGOWNOFSA-N 1 2 327.384 1.284 20 30 EDEDLO C=CCn1cccc1C(=O)N(C)C1CC[NH+](Cc2cnon2)CC1 ZINC001005512194 709406216 /nfs/dbraw/zinc/40/62/16/709406216.db2.gz XBZOILPAECCBDA-UHFFFAOYSA-N 1 2 329.404 1.794 20 30 EDEDLO Cc1noc([C@H](C)[N@@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034165224 709438618 /nfs/dbraw/zinc/43/86/18/709438618.db2.gz LZWAVFFXKABBRJ-SMDDNHRTSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1noc([C@H](C)[N@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034165224 709438622 /nfs/dbraw/zinc/43/86/22/709438622.db2.gz LZWAVFFXKABBRJ-SMDDNHRTSA-N 1 2 342.403 1.923 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001034227922 709582878 /nfs/dbraw/zinc/58/28/78/709582878.db2.gz PFGQCTMZCLTUTJ-LBPRGKRZSA-N 1 2 334.811 1.461 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cccn3nnnc23)C1 ZINC001034227922 709582881 /nfs/dbraw/zinc/58/28/81/709582881.db2.gz PFGQCTMZCLTUTJ-LBPRGKRZSA-N 1 2 334.811 1.461 20 30 EDEDLO C=C[C@@H](CC)CC(=O)N1CCOC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001061734750 709597921 /nfs/dbraw/zinc/59/79/21/709597921.db2.gz LUXMEFJFDKDFGK-JKSUJKDBSA-N 1 2 348.447 1.219 20 30 EDEDLO CN(c1ccncc1C#N)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001061202912 709647325 /nfs/dbraw/zinc/64/73/25/709647325.db2.gz JFONXKXZQWTFOM-HNNXBMFYSA-N 1 2 338.415 1.736 20 30 EDEDLO COc1nc(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)co1 ZINC001038556885 709760917 /nfs/dbraw/zinc/76/09/17/709760917.db2.gz ASKMPUHJXMIUBT-CQSZACIVSA-N 1 2 326.356 1.559 20 30 EDEDLO COc1nc(C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)co1 ZINC001038556885 709760919 /nfs/dbraw/zinc/76/09/19/709760919.db2.gz ASKMPUHJXMIUBT-CQSZACIVSA-N 1 2 326.356 1.559 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC001034429261 709967432 /nfs/dbraw/zinc/96/74/32/709967432.db2.gz LFOHMPCCQVYKNS-DZGCQCFKSA-N 1 2 341.883 1.968 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC001034429261 709967436 /nfs/dbraw/zinc/96/74/36/709967436.db2.gz LFOHMPCCQVYKNS-DZGCQCFKSA-N 1 2 341.883 1.968 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cncn2C)CC1 ZINC001003255924 710190537 /nfs/dbraw/zinc/19/05/37/710190537.db2.gz XSNSCDAHCRQZEM-UHFFFAOYSA-N 1 2 327.226 1.523 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001003651556 710469349 /nfs/dbraw/zinc/46/93/49/710469349.db2.gz FOULWRNDBBVYRJ-YUELXQCFSA-N 1 2 333.436 1.048 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001061794515 710912665 /nfs/dbraw/zinc/91/26/65/710912665.db2.gz MBTVTROONKUUNQ-GJZGRUSLSA-N 1 2 348.447 1.288 20 30 EDEDLO CCn1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001033023916 711394279 /nfs/dbraw/zinc/39/42/79/711394279.db2.gz RSIPSLKQFNLRMA-MRXNPFEDSA-N 1 2 326.404 1.449 20 30 EDEDLO CCn1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001033023916 711394284 /nfs/dbraw/zinc/39/42/84/711394284.db2.gz RSIPSLKQFNLRMA-MRXNPFEDSA-N 1 2 326.404 1.449 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2CNC(=O)c2cccc3[nH+]ccn32)cn1 ZINC001061413702 711602036 /nfs/dbraw/zinc/60/20/36/711602036.db2.gz KJLQFDJHEWBDIS-OAHLLOKOSA-N 1 2 346.394 2.000 20 30 EDEDLO Cn1nc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cc1Cl ZINC001004482644 711872880 /nfs/dbraw/zinc/87/28/80/711872880.db2.gz DDVAIDYYJOKHJY-CQSZACIVSA-N 1 2 335.839 1.914 20 30 EDEDLO Cn1nc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cc1Cl ZINC001004482644 711872883 /nfs/dbraw/zinc/87/28/83/711872883.db2.gz DDVAIDYYJOKHJY-CQSZACIVSA-N 1 2 335.839 1.914 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](N(C)C(=O)c3ccns3)C2)C1=O ZINC001033128509 711879471 /nfs/dbraw/zinc/87/94/71/711879471.db2.gz SSBYBHFAYBFDAY-QWHCGFSZSA-N 1 2 334.445 1.076 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](N(C)C(=O)c3ccns3)C2)C1=O ZINC001033128509 711879474 /nfs/dbraw/zinc/87/94/74/711879474.db2.gz SSBYBHFAYBFDAY-QWHCGFSZSA-N 1 2 334.445 1.076 20 30 EDEDLO C[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)c1cncnc1 ZINC001004520606 711919306 /nfs/dbraw/zinc/91/93/06/711919306.db2.gz HRNPGCURZAIYPB-RHSMWYFYSA-N 1 2 327.432 1.807 20 30 EDEDLO C[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)c1cncnc1 ZINC001004520606 711919309 /nfs/dbraw/zinc/91/93/09/711919309.db2.gz HRNPGCURZAIYPB-RHSMWYFYSA-N 1 2 327.432 1.807 20 30 EDEDLO Cn1cccc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1=O ZINC001004606360 712058082 /nfs/dbraw/zinc/05/80/82/712058082.db2.gz QODSQMAKNHOBBK-INIZCTEOSA-N 1 2 328.416 1.225 20 30 EDEDLO Cn1cccc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1=O ZINC001004606360 712058085 /nfs/dbraw/zinc/05/80/85/712058085.db2.gz QODSQMAKNHOBBK-INIZCTEOSA-N 1 2 328.416 1.225 20 30 EDEDLO N#Cc1ccc(NC(=O)CN2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000173690185 231006121 /nfs/dbraw/zinc/00/61/21/231006121.db2.gz KAPXGUMUVHNMBO-QGZVFWFLSA-N 1 2 328.416 1.293 20 30 EDEDLO CC[C@@H](C)c1ccc(NC(=O)CO[NH+]=C(N)CN2CCOCC2)cc1 ZINC000111181603 529429876 /nfs/dbraw/zinc/42/98/76/529429876.db2.gz HKROLQROUQBYGN-CQSZACIVSA-N 1 2 348.447 1.760 20 30 EDEDLO CCC(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000328921779 539377910 /nfs/dbraw/zinc/37/79/10/539377910.db2.gz MHGZGOXTUNNLGU-GFCCVEGCSA-N 1 2 329.466 1.365 20 30 EDEDLO CCC(=O)N1CSC[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000328921779 539377912 /nfs/dbraw/zinc/37/79/12/539377912.db2.gz MHGZGOXTUNNLGU-GFCCVEGCSA-N 1 2 329.466 1.365 20 30 EDEDLO O=C(Nc1cnc2c(c1)CCCC2)N(CCO)CC[NH+]1CCOCC1 ZINC000329316892 539429091 /nfs/dbraw/zinc/42/90/91/539429091.db2.gz FCRAANATNVMFBI-UHFFFAOYSA-N 1 2 348.447 1.132 20 30 EDEDLO Cn1ncc2c1CCC[C@@H]2NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329696237 539457973 /nfs/dbraw/zinc/45/79/73/539457973.db2.gz BSPPBMFKGWBRCB-ZFWWWQNUSA-N 1 2 333.436 1.118 20 30 EDEDLO C=CC[N@@H+](CCC(=O)Nc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000067400048 215140428 /nfs/dbraw/zinc/14/04/28/215140428.db2.gz GIPVCHFPBHGPEZ-CYBMUJFWSA-N 1 2 340.420 1.829 20 30 EDEDLO C=CC[N@H+](CCC(=O)Nc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000067400048 215140430 /nfs/dbraw/zinc/14/04/30/215140430.db2.gz GIPVCHFPBHGPEZ-CYBMUJFWSA-N 1 2 340.420 1.829 20 30 EDEDLO C=CCOc1ccccc1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000338221920 539695807 /nfs/dbraw/zinc/69/58/07/539695807.db2.gz UYIYEAFBCFULMM-UHFFFAOYSA-N 1 2 334.416 1.018 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000068468909 215311476 /nfs/dbraw/zinc/31/14/76/215311476.db2.gz ZQFPKWDUGFJPEA-UHFFFAOYSA-N 1 2 337.217 1.605 20 30 EDEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000563330375 306327514 /nfs/dbraw/zinc/32/75/14/306327514.db2.gz YCBZIHHJHATSSW-KRWDZBQOSA-N 1 2 338.411 1.992 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)NCC[NH+]2CCCCCC2)c(F)c1 ZINC000124210936 138324854 /nfs/dbraw/zinc/32/48/54/138324854.db2.gz TYHVKWOHGLUAIM-UHFFFAOYSA-N 1 2 343.399 1.991 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000186352933 235887128 /nfs/dbraw/zinc/88/71/28/235887128.db2.gz FOVGSOCBBPLAIQ-MRXNPFEDSA-N 1 2 342.443 1.096 20 30 EDEDLO Cc1cc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)ccc1C#N ZINC000563976129 306353965 /nfs/dbraw/zinc/35/39/65/306353965.db2.gz PZHGUFNFXNFMKC-UHFFFAOYSA-N 1 2 348.406 1.781 20 30 EDEDLO N#CCN1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000092936106 237019081 /nfs/dbraw/zinc/01/90/81/237019081.db2.gz DGYJUANIMXSIFT-UHFFFAOYSA-N 1 2 334.221 1.738 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000565034190 306373429 /nfs/dbraw/zinc/37/34/29/306373429.db2.gz KKVSAXJOCPFEDT-QGZVFWFLSA-N 1 2 338.411 1.992 20 30 EDEDLO C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000356716289 291284240 /nfs/dbraw/zinc/28/42/40/291284240.db2.gz XCVIKXJRMSBHAB-FZMZJTMJSA-N 1 2 334.807 1.542 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246545062 139112189 /nfs/dbraw/zinc/11/21/89/139112189.db2.gz JWMLKOITHIUDCN-QWHCGFSZSA-N 1 2 332.429 1.691 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246545062 139112190 /nfs/dbraw/zinc/11/21/90/139112190.db2.gz JWMLKOITHIUDCN-QWHCGFSZSA-N 1 2 332.429 1.691 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)Nc3cccc(C#N)c3)[C@H]2C1 ZINC000246912426 139126749 /nfs/dbraw/zinc/12/67/49/139126749.db2.gz RRQDMTVFWYZMOK-IXDOHACOSA-N 1 2 329.400 1.765 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)[C@H]2C1 ZINC000246912426 139126750 /nfs/dbraw/zinc/12/67/50/139126750.db2.gz RRQDMTVFWYZMOK-IXDOHACOSA-N 1 2 329.400 1.765 20 30 EDEDLO CCCCOc1cccc(CNC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284408345 249599158 /nfs/dbraw/zinc/59/91/58/249599158.db2.gz NKZJUAAHLBRZLG-INIZCTEOSA-N 1 2 349.431 1.950 20 30 EDEDLO C=CCCCCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000351711727 250063338 /nfs/dbraw/zinc/06/33/38/250063338.db2.gz NBNFHRDBDNVMMS-UHFFFAOYSA-N 1 2 336.480 1.586 20 30 EDEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)CC(=O)NC1(C#N)CCC1 ZINC000346861214 250048369 /nfs/dbraw/zinc/04/83/69/250048369.db2.gz DSINMEUCGSZAJA-UHFFFAOYSA-N 1 2 346.406 1.326 20 30 EDEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)CC(=O)NC1(C#N)CCC1 ZINC000346861214 250048373 /nfs/dbraw/zinc/04/83/73/250048373.db2.gz DSINMEUCGSZAJA-UHFFFAOYSA-N 1 2 346.406 1.326 20 30 EDEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N(CC#N)CC(=O)OC ZINC000354342975 250086159 /nfs/dbraw/zinc/08/61/59/250086159.db2.gz ZMOREBPHIVFTGF-UHFFFAOYSA-N 1 2 342.399 1.904 20 30 EDEDLO N#CCCCCS(=O)(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000354460760 250090490 /nfs/dbraw/zinc/09/04/90/250090490.db2.gz MIWOZKMHIAIVSU-UHFFFAOYSA-N 1 2 338.433 1.031 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355119836 250106988 /nfs/dbraw/zinc/10/69/88/250106988.db2.gz DDLXGMUEGFNXDF-OAHLLOKOSA-N 1 2 340.431 1.083 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000355250018 250109332 /nfs/dbraw/zinc/10/93/32/250109332.db2.gz ITKHTKCZCRZBTL-UHFFFAOYSA-N 1 2 346.412 1.428 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000355659844 250118826 /nfs/dbraw/zinc/11/88/26/250118826.db2.gz NTQPHCJHFIKYRK-ZDUSSCGKSA-N 1 2 338.477 1.270 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000354884704 250100470 /nfs/dbraw/zinc/10/04/70/250100470.db2.gz RPNXWSXDISBKTN-AEGPPILISA-N 1 2 331.420 1.292 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000354884704 250100474 /nfs/dbraw/zinc/10/04/74/250100474.db2.gz RPNXWSXDISBKTN-AEGPPILISA-N 1 2 331.420 1.292 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000358351562 250131885 /nfs/dbraw/zinc/13/18/85/250131885.db2.gz HSBJFGWBGJJGPQ-KSSFIOAISA-N 1 2 336.480 1.668 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000358351562 250131891 /nfs/dbraw/zinc/13/18/91/250131891.db2.gz HSBJFGWBGJJGPQ-KSSFIOAISA-N 1 2 336.480 1.668 20 30 EDEDLO C=CCOC[C@@H]([NH2+]C1CCN(c2nc(C)cs2)CC1)C(=O)OC ZINC000361111603 250170230 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C#CC[NH+]1CCN(C(=O)CN(C)Cc2nc3ccccc3s2)CC1 ZINC000490761577 255106088 /nfs/dbraw/zinc/10/60/88/255106088.db2.gz UXUGDJQCMALFHT-UHFFFAOYSA-N 1 2 342.468 1.506 20 30 EDEDLO C#CCN(C(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCC1 ZINC000491642086 255136217 /nfs/dbraw/zinc/13/62/17/255136217.db2.gz VIJNDSGXJUHPFH-WBVHZDCISA-N 1 2 342.443 1.697 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000491665403 255137377 /nfs/dbraw/zinc/13/73/77/255137377.db2.gz RVEMAQFGPIVJLZ-CQSZACIVSA-N 1 2 326.404 1.259 20 30 EDEDLO COc1cc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)cc(OC)c1OC ZINC000493268144 255200411 /nfs/dbraw/zinc/20/04/11/255200411.db2.gz ZKFJHNPKGDZPQM-JTHGQSKGSA-N 1 2 347.415 1.686 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000269950429 140023540 /nfs/dbraw/zinc/02/35/40/140023540.db2.gz IWPRQZNPVZLFSA-HNNXBMFYSA-N 1 2 327.432 1.476 20 30 EDEDLO C[C@H](CO)CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270357603 140085370 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Cn1c[nH+]c2c1CCN(C(=O)NCCOc1ccc(C#N)cc1)C2 ZINC000360505107 152073624 /nfs/dbraw/zinc/07/36/24/152073624.db2.gz UTXVJCMVZFQPNM-UHFFFAOYSA-N 1 2 325.372 1.438 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1 ZINC000364044738 153131217 /nfs/dbraw/zinc/13/12/17/153131217.db2.gz YWVWELPBCXOYQT-BPUTZDHNSA-N 1 2 326.400 1.615 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1 ZINC000364044738 153131221 /nfs/dbraw/zinc/13/12/21/153131221.db2.gz YWVWELPBCXOYQT-BPUTZDHNSA-N 1 2 326.400 1.615 20 30 EDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000364578340 153277259 /nfs/dbraw/zinc/27/72/59/153277259.db2.gz WUVZRRSQYICBKF-AWEZNQCLSA-N 1 2 344.806 1.739 20 30 EDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000364578340 153277261 /nfs/dbraw/zinc/27/72/61/153277261.db2.gz WUVZRRSQYICBKF-AWEZNQCLSA-N 1 2 344.806 1.739 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C(=O)OC)C(C)(C)C1 ZINC000370227162 155389359 /nfs/dbraw/zinc/38/93/59/155389359.db2.gz IFTSOCYFYCRTFC-GJZGRUSLSA-N 1 2 330.384 1.903 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C(=O)OC)C(C)(C)C1 ZINC000370227162 155389362 /nfs/dbraw/zinc/38/93/62/155389362.db2.gz IFTSOCYFYCRTFC-GJZGRUSLSA-N 1 2 330.384 1.903 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000373797406 157008781 /nfs/dbraw/zinc/00/87/81/157008781.db2.gz OQAXUPIWOKLCJW-FUHWJXTLSA-N 1 2 329.400 1.767 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000373797406 157008785 /nfs/dbraw/zinc/00/87/85/157008785.db2.gz OQAXUPIWOKLCJW-FUHWJXTLSA-N 1 2 329.400 1.767 20 30 EDEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000374404169 157278900 /nfs/dbraw/zinc/27/89/00/157278900.db2.gz WHIFKDZORPRWIY-QGZVFWFLSA-N 1 2 337.427 1.917 20 30 EDEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000374404169 157278903 /nfs/dbraw/zinc/27/89/03/157278903.db2.gz WHIFKDZORPRWIY-QGZVFWFLSA-N 1 2 337.427 1.917 20 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/nfs/dbraw/zinc/02/02/48/222020248.db2.gz LIDVDABNBCZOEC-HNNXBMFYSA-N 1 2 344.440 1.935 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000451545437 269767856 /nfs/dbraw/zinc/76/78/56/269767856.db2.gz HJAPHRZUDGCAGH-AWEZNQCLSA-N 1 2 334.401 1.966 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN([C@@H](C(N)=O)c3ccccc3)CC2)s1 ZINC000289979926 270010347 /nfs/dbraw/zinc/01/03/47/270010347.db2.gz ZTDAVYHIUANNFE-QGZVFWFLSA-N 1 2 340.452 1.964 20 30 EDEDLO N#Cc1csc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000478949813 270014155 /nfs/dbraw/zinc/01/41/55/270014155.db2.gz AXLDLXBFIWWMDF-AWEZNQCLSA-N 1 2 335.429 1.183 20 30 EDEDLO CCN(C)C(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000299644445 266099832 /nfs/dbraw/zinc/09/98/32/266099832.db2.gz QTAHHKGOGMXRGF-UHFFFAOYSA-N 1 2 337.427 1.707 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000293312014 266514820 /nfs/dbraw/zinc/51/48/20/266514820.db2.gz KHFJYCMWOMYBGT-KRWDZBQOSA-N 1 2 342.443 1.561 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450224035 266925211 /nfs/dbraw/zinc/92/52/11/266925211.db2.gz RIVWTIRVQMNTPL-UHFFFAOYSA-N 1 2 331.376 1.113 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285407537 267137771 /nfs/dbraw/zinc/13/77/71/267137771.db2.gz UONZFOXCSFKWEP-RDTXWAMCSA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285407537 267137776 /nfs/dbraw/zinc/13/77/76/267137776.db2.gz UONZFOXCSFKWEP-RDTXWAMCSA-N 1 2 329.400 1.767 20 30 EDEDLO COC(=O)[C@H]1CCC[N@H+](CCOc2ccccc2C#N)[C@@H]1C(=O)OC ZINC000441643763 267385217 /nfs/dbraw/zinc/38/52/17/267385217.db2.gz JZWQXSPFKYVYOQ-HOCLYGCPSA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@H]1CCC[N@@H+](CCOc2ccccc2C#N)[C@@H]1C(=O)OC ZINC000441643763 267385221 /nfs/dbraw/zinc/38/52/21/267385221.db2.gz JZWQXSPFKYVYOQ-HOCLYGCPSA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000436420134 267392008 /nfs/dbraw/zinc/39/20/08/267392008.db2.gz KWRKYKBLNCSLAM-LSDHHAIUSA-N 1 2 331.372 1.149 20 30 EDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000436420134 267392011 /nfs/dbraw/zinc/39/20/11/267392011.db2.gz KWRKYKBLNCSLAM-LSDHHAIUSA-N 1 2 331.372 1.149 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289953045 268068712 /nfs/dbraw/zinc/06/87/12/268068712.db2.gz QHVVCTUKKADMHV-INIZCTEOSA-N 1 2 343.818 1.971 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289953045 268068713 /nfs/dbraw/zinc/06/87/13/268068713.db2.gz QHVVCTUKKADMHV-INIZCTEOSA-N 1 2 343.818 1.971 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)cn1 ZINC000425224055 268127108 /nfs/dbraw/zinc/12/71/08/268127108.db2.gz KNDAHZLMGUWKAJ-UHFFFAOYSA-N 1 2 326.360 1.522 20 30 EDEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000443510831 268182127 /nfs/dbraw/zinc/18/21/27/268182127.db2.gz OPKNQVQTUPNVBP-UHFFFAOYSA-N 1 2 336.804 1.997 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCO)Cc2ccccc2)nc1 ZINC000290142652 268187677 /nfs/dbraw/zinc/18/76/77/268187677.db2.gz CGPNVHRJCQJYPZ-UHFFFAOYSA-N 1 2 345.424 1.221 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCO)Cc2ccccc2)nc1 ZINC000290142652 268187679 /nfs/dbraw/zinc/18/76/79/268187679.db2.gz CGPNVHRJCQJYPZ-UHFFFAOYSA-N 1 2 345.424 1.221 20 30 EDEDLO N#Cc1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1F ZINC000456830731 268231342 /nfs/dbraw/zinc/23/13/42/268231342.db2.gz GAFJQOUAUOEMMI-QGZVFWFLSA-N 1 2 331.391 1.957 20 30 EDEDLO N#Cc1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1F ZINC000456830731 268231346 /nfs/dbraw/zinc/23/13/46/268231346.db2.gz GAFJQOUAUOEMMI-QGZVFWFLSA-N 1 2 331.391 1.957 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)nc1 ZINC000459311903 268235078 /nfs/dbraw/zinc/23/50/78/268235078.db2.gz WFOZMQSBGXIYON-UHFFFAOYSA-N 1 2 336.399 1.648 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1Cl ZINC000518188628 268239622 /nfs/dbraw/zinc/23/96/22/268239622.db2.gz GUZUBFCVRJBWTI-UHFFFAOYSA-N 1 2 345.790 1.943 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000451882317 268242439 /nfs/dbraw/zinc/24/24/39/268242439.db2.gz CBUAEVFPVXGIRJ-RISCZKNCSA-N 1 2 327.306 1.742 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000451882317 268242441 /nfs/dbraw/zinc/24/24/41/268242441.db2.gz CBUAEVFPVXGIRJ-RISCZKNCSA-N 1 2 327.306 1.742 20 30 EDEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1nc(=O)[nH][nH]1 ZINC000298443619 268278154 /nfs/dbraw/zinc/27/81/54/268278154.db2.gz HAGGHCOTYOXFTI-CQSZACIVSA-N 1 2 340.387 1.525 20 30 EDEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1nc(=O)[nH][nH]1 ZINC000298443619 268278155 /nfs/dbraw/zinc/27/81/55/268278155.db2.gz HAGGHCOTYOXFTI-CQSZACIVSA-N 1 2 340.387 1.525 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000528355157 268299706 /nfs/dbraw/zinc/29/97/06/268299706.db2.gz MTMLCLYSGZHNIY-JKSUJKDBSA-N 1 2 326.400 1.901 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000528355157 268299708 /nfs/dbraw/zinc/29/97/08/268299708.db2.gz MTMLCLYSGZHNIY-JKSUJKDBSA-N 1 2 326.400 1.901 20 30 EDEDLO N#Cc1ncccc1N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000290506235 268327485 /nfs/dbraw/zinc/32/74/85/268327485.db2.gz DXZDEOSPYSLMCZ-UHFFFAOYSA-N 1 2 327.432 1.524 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC#Cc1ccccc1 ZINC000286519440 278492923 /nfs/dbraw/zinc/49/29/23/278492923.db2.gz JONKYGAWQKAIHO-WMZOPIPTSA-N 1 2 327.428 1.543 20 30 EDEDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000408404040 288147516 /nfs/dbraw/zinc/14/75/16/288147516.db2.gz NGAYWAOIGNBJIK-LLVKDONJSA-N 1 2 343.474 1.085 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)s1 ZINC000408404040 288147518 /nfs/dbraw/zinc/14/75/18/288147518.db2.gz NGAYWAOIGNBJIK-LLVKDONJSA-N 1 2 343.474 1.085 20 30 EDEDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000365963338 288299402 /nfs/dbraw/zinc/29/94/02/288299402.db2.gz QAAUMOIXYGEAOJ-DOMZBBRYSA-N 1 2 337.420 1.945 20 30 EDEDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000365963338 288299404 /nfs/dbraw/zinc/29/94/04/288299404.db2.gz QAAUMOIXYGEAOJ-DOMZBBRYSA-N 1 2 337.420 1.945 20 30 EDEDLO C[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C)c1cccc(C#N)c1 ZINC000360619794 289302328 /nfs/dbraw/zinc/30/23/28/289302328.db2.gz MHOOXQCUNGWZEN-DAYGRLMNSA-N 1 2 327.428 1.983 20 30 EDEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000182001947 290219972 /nfs/dbraw/zinc/21/99/72/290219972.db2.gz XZSFULIMVGYATM-RHSMWYFYSA-N 1 2 333.457 1.424 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414590808 447314394 /nfs/dbraw/zinc/31/43/94/447314394.db2.gz UCUVMYGABSALAX-MRXNPFEDSA-N 1 2 329.444 1.754 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414590808 447314410 /nfs/dbraw/zinc/31/44/10/447314410.db2.gz UCUVMYGABSALAX-MRXNPFEDSA-N 1 2 329.444 1.754 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414612950 447314641 /nfs/dbraw/zinc/31/46/41/447314641.db2.gz PXDFNTZTQHYACO-HOTGVXAUSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414612950 447314647 /nfs/dbraw/zinc/31/46/47/447314647.db2.gz PXDFNTZTQHYACO-HOTGVXAUSA-N 1 2 342.443 1.337 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000448604230 447334851 /nfs/dbraw/zinc/33/48/51/447334851.db2.gz LZEZWORRFRTKTP-SFHVURJKSA-N 1 2 338.411 1.998 20 30 EDEDLO CC(=O)N1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC12CCCCC2 ZINC000378342719 447420632 /nfs/dbraw/zinc/42/06/32/447420632.db2.gz YJMCJQFEIYBSEF-SFHVURJKSA-N 1 2 346.475 1.662 20 30 EDEDLO CC(=O)N1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC12CCCCC2 ZINC000378342719 447420640 /nfs/dbraw/zinc/42/06/40/447420640.db2.gz YJMCJQFEIYBSEF-SFHVURJKSA-N 1 2 346.475 1.662 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1 ZINC000057171053 441095386 /nfs/dbraw/zinc/09/53/86/441095386.db2.gz RYLDCAYBWGPFSW-UHFFFAOYSA-N 1 2 348.468 1.063 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057844924 441138296 /nfs/dbraw/zinc/13/82/96/441138296.db2.gz JWUXIXXGGBEHTQ-CQSZACIVSA-N 1 2 345.369 1.932 20 30 EDEDLO N#CC1CC[NH+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC1 ZINC000057874325 441139456 /nfs/dbraw/zinc/13/94/56/441139456.db2.gz SAZQKTRPRFITNN-UHFFFAOYSA-N 1 2 331.372 1.146 20 30 EDEDLO N#Cc1cccnc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000058342914 441183153 /nfs/dbraw/zinc/18/31/53/441183153.db2.gz BUVYMQRJYVQGEA-UHFFFAOYSA-N 1 2 336.399 1.499 20 30 EDEDLO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000016476191 441225350 /nfs/dbraw/zinc/22/53/50/441225350.db2.gz JZLDWLHCZZPOSB-CQSZACIVSA-N 1 2 335.448 1.993 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000060634010 441253828 /nfs/dbraw/zinc/25/38/28/441253828.db2.gz GQARHPHFJAGFIS-UHFFFAOYSA-N 1 2 346.387 1.212 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(-c3cccs3)on2)CC1 ZINC000023266340 441292140 /nfs/dbraw/zinc/29/21/40/441292140.db2.gz KKNKSNQMHXPSCG-UHFFFAOYSA-N 1 2 346.456 1.823 20 30 EDEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NCc2ccc(C)cc2)cs1 ZINC000063456871 441330338 /nfs/dbraw/zinc/33/03/38/441330338.db2.gz WYOKYWCIWMCMFA-UHFFFAOYSA-N 1 2 332.429 1.908 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000025313427 441340328 /nfs/dbraw/zinc/34/03/28/441340328.db2.gz CTAYHEHUDPJSBN-UHFFFAOYSA-N 1 2 346.456 1.823 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(c2nccs2)CC1)C1CC1 ZINC000064402314 441377776 /nfs/dbraw/zinc/37/77/76/441377776.db2.gz MDDZEJCOTBOVLB-MRXNPFEDSA-N 1 2 333.461 1.464 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCN(c2nccs2)CC1)C1CC1 ZINC000064402314 441377780 /nfs/dbraw/zinc/37/77/80/441377780.db2.gz MDDZEJCOTBOVLB-MRXNPFEDSA-N 1 2 333.461 1.464 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000074052487 441386003 /nfs/dbraw/zinc/38/60/03/441386003.db2.gz GBIMDWKXVHZLIK-HNNXBMFYSA-N 1 2 337.464 1.300 20 30 EDEDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000027566285 441406163 /nfs/dbraw/zinc/40/61/63/441406163.db2.gz QKPLVIZYPMJGEE-CQSZACIVSA-N 1 2 334.807 1.703 20 30 EDEDLO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000027566285 441406168 /nfs/dbraw/zinc/40/61/68/441406168.db2.gz QKPLVIZYPMJGEE-CQSZACIVSA-N 1 2 334.807 1.703 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000074210145 441407865 /nfs/dbraw/zinc/40/78/65/441407865.db2.gz QSLKJIYVPUQSHD-IRXDYDNUSA-N 1 2 331.464 1.449 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000031157397 441514810 /nfs/dbraw/zinc/51/48/10/441514810.db2.gz XMQJOBDENFNARP-CQSZACIVSA-N 1 2 346.431 1.574 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000031157397 441514813 /nfs/dbraw/zinc/51/48/13/441514813.db2.gz XMQJOBDENFNARP-CQSZACIVSA-N 1 2 346.431 1.574 20 30 EDEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NCc2ccc(F)cc2)cs1 ZINC000054391006 441575830 /nfs/dbraw/zinc/57/58/30/441575830.db2.gz XTNLBFWKYQVJCF-UHFFFAOYSA-N 1 2 336.392 1.738 20 30 EDEDLO N#Cc1c(F)cccc1N1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000042133519 441708909 /nfs/dbraw/zinc/70/89/09/441708909.db2.gz QNFIRCYCQWPPIW-UHFFFAOYSA-N 1 2 330.407 1.878 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000121613739 441743586 /nfs/dbraw/zinc/74/35/86/441743586.db2.gz RXCOLAACLTZRJL-MRXNPFEDSA-N 1 2 326.400 1.029 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000121613739 441743592 /nfs/dbraw/zinc/74/35/92/441743592.db2.gz RXCOLAACLTZRJL-MRXNPFEDSA-N 1 2 326.400 1.029 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139012630 441803080 /nfs/dbraw/zinc/80/30/80/441803080.db2.gz MQIDBOHDMCDPNV-ZFWWWQNUSA-N 1 2 341.415 1.375 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000139012630 441803083 /nfs/dbraw/zinc/80/30/83/441803083.db2.gz MQIDBOHDMCDPNV-ZFWWWQNUSA-N 1 2 341.415 1.375 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000092733701 441823118 /nfs/dbraw/zinc/82/31/18/441823118.db2.gz WQQBORLCYRMCKB-UHFFFAOYSA-N 1 2 327.388 2.000 20 30 EDEDLO C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000125751982 442045440 /nfs/dbraw/zinc/04/54/40/442045440.db2.gz WADHOZCOOCAIQC-YGRLFVJLSA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000125751982 442045444 /nfs/dbraw/zinc/04/54/44/442045444.db2.gz WADHOZCOOCAIQC-YGRLFVJLSA-N 1 2 343.836 1.209 20 30 EDEDLO C=CCCS(=O)(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000120635312 442108278 /nfs/dbraw/zinc/10/82/78/442108278.db2.gz GNBLYTXLPHQGJH-UHFFFAOYSA-N 1 2 326.466 1.060 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121154558 442184332 /nfs/dbraw/zinc/18/43/32/442184332.db2.gz RWAXRCIQPCNCJD-HNNXBMFYSA-N 1 2 346.475 1.662 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121154558 442184335 /nfs/dbraw/zinc/18/43/35/442184335.db2.gz RWAXRCIQPCNCJD-HNNXBMFYSA-N 1 2 346.475 1.662 20 30 EDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000170778307 442262686 /nfs/dbraw/zinc/26/26/86/442262686.db2.gz YXWUYPWONRIKLI-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000170778307 442262689 /nfs/dbraw/zinc/26/26/89/442262689.db2.gz YXWUYPWONRIKLI-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170863485 442278624 /nfs/dbraw/zinc/27/86/24/442278624.db2.gz VVFPJFQNGXMPIV-AWEZNQCLSA-N 1 2 331.416 1.553 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170863485 442278627 /nfs/dbraw/zinc/27/86/27/442278627.db2.gz VVFPJFQNGXMPIV-AWEZNQCLSA-N 1 2 331.416 1.553 20 30 EDEDLO CCOc1cc(C#N)cc(Cl)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000153561368 442289551 /nfs/dbraw/zinc/28/95/51/442289551.db2.gz JWGHQEGKWAGQNF-CYBMUJFWSA-N 1 2 340.807 1.682 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C(C)=O)cc2OC)CC1 ZINC000128273055 442257067 /nfs/dbraw/zinc/25/70/67/442257067.db2.gz YPSOWWDLDVPBPV-UHFFFAOYSA-N 1 2 330.384 1.054 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2noc(CC)n2)CC1 ZINC000177306876 442326919 /nfs/dbraw/zinc/32/69/19/442326919.db2.gz RUCHKNLSOVYCNG-OAHLLOKOSA-N 1 2 347.463 1.339 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000130593465 442351086 /nfs/dbraw/zinc/35/10/86/442351086.db2.gz ZZBUNWLTYVNGPQ-CQSZACIVSA-N 1 2 349.862 1.604 20 30 EDEDLO N#Cc1ccc(C(=O)NCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000171106081 442313771 /nfs/dbraw/zinc/31/37/71/442313771.db2.gz GDCWKWBYULJELL-UHFFFAOYSA-N 1 2 349.394 1.032 20 30 EDEDLO N#Cc1ccc(C(=O)NCC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000171118413 442315676 /nfs/dbraw/zinc/31/56/76/442315676.db2.gz LLHYQNPVYZIJGF-HNNXBMFYSA-N 1 2 337.383 1.765 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)CCCCC1 ZINC000156389691 442475232 /nfs/dbraw/zinc/47/52/32/442475232.db2.gz NCVJEMDLCVWKII-MRXNPFEDSA-N 1 2 328.416 1.877 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)CCCCC1 ZINC000156389691 442475237 /nfs/dbraw/zinc/47/52/37/442475237.db2.gz NCVJEMDLCVWKII-MRXNPFEDSA-N 1 2 328.416 1.877 20 30 EDEDLO Cc1nc(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)no1 ZINC000156952740 442537006 /nfs/dbraw/zinc/53/70/06/442537006.db2.gz PQRJGIDGPFRPTP-UHFFFAOYSA-N 1 2 330.392 1.213 20 30 EDEDLO COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C#N ZINC000134975105 442542202 /nfs/dbraw/zinc/54/22/02/442542202.db2.gz JKIYRIDJLPWPGO-KRWDZBQOSA-N 1 2 329.400 1.390 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000134970493 442542431 /nfs/dbraw/zinc/54/24/31/442542431.db2.gz WLXWFBXLFKKVAT-UHFFFAOYSA-N 1 2 333.863 1.834 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1F ZINC000192078521 442586347 /nfs/dbraw/zinc/58/63/47/442586347.db2.gz HIADXBTWQZXJHJ-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1F ZINC000192078521 442586353 /nfs/dbraw/zinc/58/63/53/442586353.db2.gz HIADXBTWQZXJHJ-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO C=CCNC(=O)CNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000180387932 442592019 /nfs/dbraw/zinc/59/20/19/442592019.db2.gz KDYWZJOAGVOEIE-UHFFFAOYSA-N 1 2 329.404 1.336 20 30 EDEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 ZINC000172877118 442559646 /nfs/dbraw/zinc/55/96/46/442559646.db2.gz NYXRTPXKQZWZNX-LPMVOBIJSA-N 1 2 337.464 1.653 20 30 EDEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 ZINC000172877118 442559648 /nfs/dbraw/zinc/55/96/48/442559648.db2.gz NYXRTPXKQZWZNX-LPMVOBIJSA-N 1 2 337.464 1.653 20 30 EDEDLO C[C@@H]1C[C@H](C)CN(C(=O)CN(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000158115659 442647371 /nfs/dbraw/zinc/64/73/71/442647371.db2.gz DNMICFCGCBDEIS-CALCHBBNSA-N 1 2 336.480 1.039 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192475891 442651217 /nfs/dbraw/zinc/65/12/17/442651217.db2.gz GBRVQSPPVYDBTL-UHFFFAOYSA-N 1 2 347.390 1.732 20 30 EDEDLO C=C(C)C[N@@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000181273223 442687594 /nfs/dbraw/zinc/68/75/94/442687594.db2.gz VUGAVKDZUGCOSJ-MRXNPFEDSA-N 1 2 342.505 1.843 20 30 EDEDLO C=C(C)C[N@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000181273223 442687596 /nfs/dbraw/zinc/68/75/96/442687596.db2.gz VUGAVKDZUGCOSJ-MRXNPFEDSA-N 1 2 342.505 1.843 20 30 EDEDLO COCCN1CC[N@H+](Cc2cccc(OCCCC#N)c2)CC1=O ZINC000181577852 442705113 /nfs/dbraw/zinc/70/51/13/442705113.db2.gz TYTZEHIMYQRZQT-UHFFFAOYSA-N 1 2 331.416 1.660 20 30 EDEDLO COCCN1CC[N@@H+](Cc2cccc(OCCCC#N)c2)CC1=O ZINC000181577852 442705115 /nfs/dbraw/zinc/70/51/15/442705115.db2.gz TYTZEHIMYQRZQT-UHFFFAOYSA-N 1 2 331.416 1.660 20 30 EDEDLO COCc1noc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000182036784 442730404 /nfs/dbraw/zinc/73/04/04/442730404.db2.gz QTALKOWRZBMSNZ-UHFFFAOYSA-N 1 2 327.388 1.800 20 30 EDEDLO COCc1noc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000182036784 442730405 /nfs/dbraw/zinc/73/04/05/442730405.db2.gz QTALKOWRZBMSNZ-UHFFFAOYSA-N 1 2 327.388 1.800 20 30 EDEDLO COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@H](C)C#N)CC2)c1 ZINC000182848724 442835137 /nfs/dbraw/zinc/83/51/37/442835137.db2.gz GYZVUGQRJROZLZ-OAHLLOKOSA-N 1 2 346.431 1.561 20 30 EDEDLO C#CC[N@@H+](CN1C(=O)N[C@](C)(COC)C1=O)[C@H]1CCc2ccccc21 ZINC000247237653 442842601 /nfs/dbraw/zinc/84/26/01/442842601.db2.gz MXIYEMHMWWVLIY-QFBILLFUSA-N 1 2 341.411 1.524 20 30 EDEDLO C#CC[N@H+](CN1C(=O)N[C@](C)(COC)C1=O)[C@H]1CCc2ccccc21 ZINC000247237653 442842606 /nfs/dbraw/zinc/84/26/06/442842606.db2.gz MXIYEMHMWWVLIY-QFBILLFUSA-N 1 2 341.411 1.524 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000268129839 442860884 /nfs/dbraw/zinc/86/08/84/442860884.db2.gz ORHSCWKQDORRDF-KRWDZBQOSA-N 1 2 326.400 1.234 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000268129839 442860889 /nfs/dbraw/zinc/86/08/89/442860889.db2.gz ORHSCWKQDORRDF-KRWDZBQOSA-N 1 2 326.400 1.234 20 30 EDEDLO NC(CCO)=[NH+]O[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189357816 442928641 /nfs/dbraw/zinc/92/86/41/442928641.db2.gz YUVXRFMOIDZCSX-ZDUSSCGKSA-N 1 2 327.331 1.127 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)c1ccccc1F ZINC000268386496 442970484 /nfs/dbraw/zinc/97/04/84/442970484.db2.gz ZKRAGYALBCOWJZ-SUMWQHHRSA-N 1 2 341.390 1.731 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)c1ccccc1F ZINC000268386496 442970488 /nfs/dbraw/zinc/97/04/88/442970488.db2.gz ZKRAGYALBCOWJZ-SUMWQHHRSA-N 1 2 341.390 1.731 20 30 EDEDLO COC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccco1 ZINC000184582717 443043352 /nfs/dbraw/zinc/04/33/52/443043352.db2.gz PPZURRHODYXPFY-JKSUJKDBSA-N 1 2 348.447 1.249 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000266378625 443111751 /nfs/dbraw/zinc/11/17/51/443111751.db2.gz HTIRKHFNEADMTR-ZDUSSCGKSA-N 1 2 335.379 1.680 20 30 EDEDLO C=CCSCCNC(=O)N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000266759275 443232036 /nfs/dbraw/zinc/23/20/36/443232036.db2.gz PASKOASFHNSCJR-UHFFFAOYSA-N 1 2 342.509 1.101 20 30 EDEDLO CCN(C)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000191148497 443247995 /nfs/dbraw/zinc/24/79/95/443247995.db2.gz HHKDZPJKJRIWPT-UHFFFAOYSA-N 1 2 331.464 1.586 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264108061 443248416 /nfs/dbraw/zinc/24/84/16/443248416.db2.gz SRORCVZSUGFCND-NSHDSACASA-N 1 2 331.342 1.638 20 30 EDEDLO CCC[N@H+](CCO)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264229895 443255462 /nfs/dbraw/zinc/25/54/62/443255462.db2.gz RCXPIQDQACSSOC-ZDUSSCGKSA-N 1 2 328.372 1.216 20 30 EDEDLO CCC[N@@H+](CCO)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264229895 443255465 /nfs/dbraw/zinc/25/54/65/443255465.db2.gz RCXPIQDQACSSOC-ZDUSSCGKSA-N 1 2 328.372 1.216 20 30 EDEDLO C[C@@H](c1cccc(NC(=O)N2CCO[C@@H](C#N)C2)c1)[NH+]1CCOCC1 ZINC000264406728 443280005 /nfs/dbraw/zinc/28/00/05/443280005.db2.gz QFKBBOCJOJHRMS-YOEHRIQHSA-N 1 2 344.415 1.836 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1C#N ZINC000191219958 443260895 /nfs/dbraw/zinc/26/08/95/443260895.db2.gz OGIOFOFHARKFCW-UHFFFAOYSA-N 1 2 326.375 1.994 20 30 EDEDLO CO[C@H](C)c1noc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000267039098 443320832 /nfs/dbraw/zinc/32/08/32/443320832.db2.gz ADNWCSHWWNEHHW-TZMCWYRMSA-N 1 2 346.387 1.520 20 30 EDEDLO CO[C@H](C)c1noc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000267039098 443320836 /nfs/dbraw/zinc/32/08/36/443320836.db2.gz ADNWCSHWWNEHHW-TZMCWYRMSA-N 1 2 346.387 1.520 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](CCNC(C)=O)Cc1ccsc1 ZINC000282397417 443327548 /nfs/dbraw/zinc/32/75/48/443327548.db2.gz FALPBEMEUXSMCZ-UHFFFAOYSA-N 1 2 336.461 1.448 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](CCNC(C)=O)Cc1ccsc1 ZINC000282397417 443327549 /nfs/dbraw/zinc/32/75/49/443327549.db2.gz FALPBEMEUXSMCZ-UHFFFAOYSA-N 1 2 336.461 1.448 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CC)CC1 ZINC000282581676 443381796 /nfs/dbraw/zinc/38/17/96/443381796.db2.gz BJXNPFAACAPXAG-UHFFFAOYSA-N 1 2 325.416 1.729 20 30 EDEDLO CCOC(=O)C[N@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1 ZINC000271611620 443506832 /nfs/dbraw/zinc/50/68/32/443506832.db2.gz VUZGKRDORAGIMT-UHFFFAOYSA-N 1 2 331.416 1.814 20 30 EDEDLO CCOC(=O)C[N@@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1 ZINC000271611620 443506839 /nfs/dbraw/zinc/50/68/39/443506839.db2.gz VUZGKRDORAGIMT-UHFFFAOYSA-N 1 2 331.416 1.814 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000283464210 443640051 /nfs/dbraw/zinc/64/00/51/443640051.db2.gz LFRYCVYICGLBPX-UHFFFAOYSA-N 1 2 345.443 1.170 20 30 EDEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000274435877 443605685 /nfs/dbraw/zinc/60/56/85/443605685.db2.gz AJBLSCBDHYHQRX-IHRRRGAJSA-N 1 2 349.456 1.447 20 30 EDEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000274435877 443605687 /nfs/dbraw/zinc/60/56/87/443605687.db2.gz AJBLSCBDHYHQRX-IHRRRGAJSA-N 1 2 349.456 1.447 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(=O)n3c(C)csc3n2)n1 ZINC000279654884 443617951 /nfs/dbraw/zinc/61/79/51/443617951.db2.gz BYQOXEKIRIPDFK-UHFFFAOYSA-N 1 2 341.440 1.916 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(=O)n3c(C)csc3n2)n1 ZINC000279654884 443617953 /nfs/dbraw/zinc/61/79/53/443617953.db2.gz BYQOXEKIRIPDFK-UHFFFAOYSA-N 1 2 341.440 1.916 20 30 EDEDLO C=CCNC(=O)CNc1cc(N[C@H]2CCCO[C@H]2C(C)C)[nH+]cn1 ZINC000275806783 443643760 /nfs/dbraw/zinc/64/37/60/443643760.db2.gz VASYICAJPYUOHJ-GUYCJALGSA-N 1 2 333.436 1.806 20 30 EDEDLO C=CCNC(=O)CNc1cc(N[C@H]2CCCO[C@H]2C(C)C)nc[nH+]1 ZINC000275806783 443643762 /nfs/dbraw/zinc/64/37/62/443643762.db2.gz VASYICAJPYUOHJ-GUYCJALGSA-N 1 2 333.436 1.806 20 30 EDEDLO CC1(C)C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1O ZINC000279982676 443652815 /nfs/dbraw/zinc/65/28/15/443652815.db2.gz ZPISIIVFJMXNPK-DOMZBBRYSA-N 1 2 340.383 1.214 20 30 EDEDLO CC1(C)C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1O ZINC000279982676 443652817 /nfs/dbraw/zinc/65/28/17/443652817.db2.gz ZPISIIVFJMXNPK-DOMZBBRYSA-N 1 2 340.383 1.214 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000279923932 443642910 /nfs/dbraw/zinc/64/29/10/443642910.db2.gz FNJXBSIYARKOME-CVEARBPZSA-N 1 2 331.464 1.298 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000279923932 443642912 /nfs/dbraw/zinc/64/29/12/443642912.db2.gz FNJXBSIYARKOME-CVEARBPZSA-N 1 2 331.464 1.298 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000287510563 443745686 /nfs/dbraw/zinc/74/56/86/443745686.db2.gz WKNTWBNPEIWQQH-UHFFFAOYSA-N 1 2 342.399 1.260 20 30 EDEDLO Cc1nc(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)ccc1C#N ZINC000286884499 443728660 /nfs/dbraw/zinc/72/86/60/443728660.db2.gz OPBODQQFCSIQAZ-INIZCTEOSA-N 1 2 339.399 1.893 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286996495 443732043 /nfs/dbraw/zinc/73/20/43/443732043.db2.gz MOTWIKOGWGJKPL-ZFWWWQNUSA-N 1 2 344.415 1.894 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)CCCCC#N)C[C@H]1Cc1ccccc1 ZINC000283823711 443732480 /nfs/dbraw/zinc/73/24/80/443732480.db2.gz FTTVWOVZOMYQOX-QGZVFWFLSA-N 1 2 335.473 1.869 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)CCCCC#N)C[C@H]1Cc1ccccc1 ZINC000283823711 443732485 /nfs/dbraw/zinc/73/24/85/443732485.db2.gz FTTVWOVZOMYQOX-QGZVFWFLSA-N 1 2 335.473 1.869 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2=CCCOC2)CC1=O ZINC000287177269 443737079 /nfs/dbraw/zinc/73/70/79/443737079.db2.gz JWMXFYKAYAPKES-UHFFFAOYSA-N 1 2 338.411 1.993 20 30 EDEDLO Cc1noc([C@H]2C[N@@H+](Cc3cn4ccccc4c3C#N)CCN2C)n1 ZINC000284804624 443789530 /nfs/dbraw/zinc/78/95/30/443789530.db2.gz IHFHZBHESXJETR-QGZVFWFLSA-N 1 2 336.399 1.991 20 30 EDEDLO Cc1noc([C@H]2C[N@H+](Cc3cn4ccccc4c3C#N)CCN2C)n1 ZINC000284804624 443789533 /nfs/dbraw/zinc/78/95/33/443789533.db2.gz IHFHZBHESXJETR-QGZVFWFLSA-N 1 2 336.399 1.991 20 30 EDEDLO C[C@H](NC(=O)C(=O)N(C)Cc1[nH+]ccn1C)c1ccc(C#N)cc1 ZINC000283951257 443758412 /nfs/dbraw/zinc/75/84/12/443758412.db2.gz KNVHXBNAVZKARI-LBPRGKRZSA-N 1 2 325.372 1.128 20 30 EDEDLO N#CCCCC(=O)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCOCC2)C1 ZINC000291541306 443760963 /nfs/dbraw/zinc/76/09/63/443760963.db2.gz UPSXPEULATZYPU-OAHLLOKOSA-N 1 2 345.447 1.642 20 30 EDEDLO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC(C)(C)O1 ZINC000284514777 443777900 /nfs/dbraw/zinc/77/79/00/443777900.db2.gz JLGYQBHADFJBNX-OAHLLOKOSA-N 1 2 335.404 1.235 20 30 EDEDLO CN(C)C(=O)COC[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CC(C)(C)O1 ZINC000284514777 443777902 /nfs/dbraw/zinc/77/79/02/443777902.db2.gz JLGYQBHADFJBNX-OAHLLOKOSA-N 1 2 335.404 1.235 20 30 EDEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000298666760 443833171 /nfs/dbraw/zinc/83/31/71/443833171.db2.gz HDKIPSFFFWSQKL-UHFFFAOYSA-N 1 2 346.383 1.872 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N2CCc3sccc3C2)C1=O ZINC000281241549 443857107 /nfs/dbraw/zinc/85/71/07/443857107.db2.gz GEWUUCXJJOFSQK-HIFRSBDPSA-N 1 2 347.484 1.740 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N2CCc3sccc3C2)C1=O ZINC000281241549 443857111 /nfs/dbraw/zinc/85/71/11/443857111.db2.gz GEWUUCXJJOFSQK-HIFRSBDPSA-N 1 2 347.484 1.740 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c1 ZINC000298773905 443864532 /nfs/dbraw/zinc/86/45/32/443864532.db2.gz USFOSNMGSGVHOP-UHFFFAOYSA-N 1 2 339.374 1.513 20 30 EDEDLO CC(C)(C)n1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000292870124 443865291 /nfs/dbraw/zinc/86/52/91/443865291.db2.gz WJMKHRWDNTZCLV-HNNXBMFYSA-N 1 2 326.404 1.953 20 30 EDEDLO CC(C)(C)n1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000292870124 443865295 /nfs/dbraw/zinc/86/52/95/443865295.db2.gz WJMKHRWDNTZCLV-HNNXBMFYSA-N 1 2 326.404 1.953 20 30 EDEDLO CN1CCN(c2cc(NCC3CCC(C#N)CC3)[nH+]cn2)CC1=O ZINC000281578557 443949467 /nfs/dbraw/zinc/94/94/67/443949467.db2.gz FRTZSBVIJWJUKU-UHFFFAOYSA-N 1 2 328.420 1.497 20 30 EDEDLO 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C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)C1=O ZINC000281875966 444029537 /nfs/dbraw/zinc/02/95/37/444029537.db2.gz CONBGEGKWICCLZ-LSDHHAIUSA-N 1 2 329.448 1.928 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)C1=O ZINC000281875966 444029540 /nfs/dbraw/zinc/02/95/40/444029540.db2.gz CONBGEGKWICCLZ-LSDHHAIUSA-N 1 2 329.448 1.928 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000289186188 444072329 /nfs/dbraw/zinc/07/23/29/444072329.db2.gz LCTJKNADQPGMEX-ZBFHGGJFSA-N 1 2 342.399 1.048 20 30 EDEDLO C#C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC000289300722 444101674 /nfs/dbraw/zinc/10/16/74/444101674.db2.gz ZOIRIEMKIARLBL-OSAQELSMSA-N 1 2 331.420 1.087 20 30 EDEDLO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000294308455 444112937 /nfs/dbraw/zinc/11/29/37/444112937.db2.gz JEEPOEBJPZVFIZ-UHFFFAOYSA-N 1 2 338.205 1.071 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000289508627 444161805 /nfs/dbraw/zinc/16/18/05/444161805.db2.gz HYDINCKXMVVXJQ-PKOBYXMFSA-N 1 2 332.444 1.812 20 30 EDEDLO C=CCOc1ccc(CC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000296114492 444205871 /nfs/dbraw/zinc/20/58/71/444205871.db2.gz FEKUUYYUGJRGPO-INIZCTEOSA-N 1 2 332.444 1.973 20 30 EDEDLO Cc1nsc(N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)c1C#N ZINC000574759470 321499610 /nfs/dbraw/zinc/49/96/10/321499610.db2.gz IGHQVAMKZQCDJF-GFCCVEGCSA-N 1 2 344.444 1.820 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C(C)(C)C(N)=O)c1 ZINC000295381932 444181610 /nfs/dbraw/zinc/18/16/10/444181610.db2.gz KNLOXTKWGROMSD-UHFFFAOYSA-N 1 2 330.432 1.746 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C(C)(C)C(N)=O)c1 ZINC000295381932 444181612 /nfs/dbraw/zinc/18/16/12/444181612.db2.gz KNLOXTKWGROMSD-UHFFFAOYSA-N 1 2 330.432 1.746 20 30 EDEDLO COc1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000290406404 444276950 /nfs/dbraw/zinc/27/69/50/444276950.db2.gz TYYHBXVGGSOUGX-UHFFFAOYSA-N 1 2 345.424 1.868 20 30 EDEDLO COc1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000290406404 444276951 /nfs/dbraw/zinc/27/69/51/444276951.db2.gz TYYHBXVGGSOUGX-UHFFFAOYSA-N 1 2 345.424 1.868 20 30 EDEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000297919211 444356844 /nfs/dbraw/zinc/35/68/44/444356844.db2.gz TVTXQOWVMKVBPA-UHFFFAOYSA-N 1 2 341.864 1.690 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cncc(Br)c3)C[C@H]21 ZINC000328811097 444361033 /nfs/dbraw/zinc/36/10/33/444361033.db2.gz MSLSXXAAWVUTAQ-VXGBXAGGSA-N 1 2 341.209 1.404 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cncc(Br)c3)C[C@H]21 ZINC000328811097 444361034 /nfs/dbraw/zinc/36/10/34/444361034.db2.gz MSLSXXAAWVUTAQ-VXGBXAGGSA-N 1 2 341.209 1.404 20 30 EDEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000325251847 444363264 /nfs/dbraw/zinc/36/32/64/444363264.db2.gz KZVSZXLTHBWRCA-HOTGVXAUSA-N 1 2 332.400 1.716 20 30 EDEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000325251847 444363266 /nfs/dbraw/zinc/36/32/66/444363266.db2.gz KZVSZXLTHBWRCA-HOTGVXAUSA-N 1 2 332.400 1.716 20 30 EDEDLO CC(C)(C)n1ncnc1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000328837212 444368800 /nfs/dbraw/zinc/36/88/00/444368800.db2.gz SVYMGZHMVBPLHP-UHFFFAOYSA-N 1 2 338.456 1.148 20 30 EDEDLO CC(C)(C)n1ncnc1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000328837212 444368805 /nfs/dbraw/zinc/36/88/05/444368805.db2.gz SVYMGZHMVBPLHP-UHFFFAOYSA-N 1 2 338.456 1.148 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)C[C@H]21 ZINC000328947493 444417140 /nfs/dbraw/zinc/41/71/40/444417140.db2.gz VWAWGGBREALWJL-TUVASFSCSA-N 1 2 325.453 1.509 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)C[C@H]21 ZINC000328947493 444417144 /nfs/dbraw/zinc/41/71/44/444417144.db2.gz VWAWGGBREALWJL-TUVASFSCSA-N 1 2 325.453 1.509 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H](O)C1CCOCC1)CCC2 ZINC000328660136 444419194 /nfs/dbraw/zinc/41/91/94/444419194.db2.gz UWPFBLQOWSRTEQ-LSDHHAIUSA-N 1 2 336.436 1.360 20 30 EDEDLO 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/nfs/dbraw/zinc/45/85/80/444458580.db2.gz WZTSFKBMTBDGIW-GFCCVEGCSA-N 1 2 348.394 1.646 20 30 EDEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC2CCC(F)(F)CC2)CCO1 ZINC000331254426 444458583 /nfs/dbraw/zinc/45/85/83/444458583.db2.gz WZTSFKBMTBDGIW-GFCCVEGCSA-N 1 2 348.394 1.646 20 30 EDEDLO CCc1c(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)[nH]c(C)c1C(N)=O ZINC000331264838 444459951 /nfs/dbraw/zinc/45/99/51/444459951.db2.gz OXDPRGKQAWGTDZ-NSHDSACASA-N 1 2 335.452 1.709 20 30 EDEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000329065545 444462464 /nfs/dbraw/zinc/46/24/64/444462464.db2.gz KXBGYPMWHJOBDD-VQIMIIECSA-N 1 2 346.427 1.828 20 30 EDEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000329065545 444462466 /nfs/dbraw/zinc/46/24/66/444462466.db2.gz KXBGYPMWHJOBDD-VQIMIIECSA-N 1 2 346.427 1.828 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328683983 444428850 /nfs/dbraw/zinc/42/88/50/444428850.db2.gz PMJRKMQQJQWTIE-HGTKMLMNSA-N 1 2 332.400 1.955 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328683983 444428854 /nfs/dbraw/zinc/42/88/54/444428854.db2.gz PMJRKMQQJQWTIE-HGTKMLMNSA-N 1 2 332.400 1.955 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC(F)F)nc3)C[C@H]21 ZINC000328686588 444429350 /nfs/dbraw/zinc/42/93/50/444429350.db2.gz GKMFEQIGDLRWDC-GHMZBOCLSA-N 1 2 328.319 1.243 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC(F)F)nc3)C[C@H]21 ZINC000328686588 444429351 /nfs/dbraw/zinc/42/93/51/444429351.db2.gz GKMFEQIGDLRWDC-GHMZBOCLSA-N 1 2 328.319 1.243 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1cn2c(n1)CCCC2 ZINC000329224878 444505966 /nfs/dbraw/zinc/50/59/66/444505966.db2.gz FUFUIEWHYWDQGZ-ZBFHGGJFSA-N 1 2 347.463 1.428 20 30 EDEDLO Cc1noc([C@H]2CCCN2C(=O)NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000329234591 444507959 /nfs/dbraw/zinc/50/79/59/444507959.db2.gz MUNBJFCEVACBEP-CYBMUJFWSA-N 1 2 337.424 1.540 20 30 EDEDLO Cc1noc([C@H]2CCCN2C(=O)NCC[N@H+]2CCOCC2(C)C)n1 ZINC000329234591 444507961 /nfs/dbraw/zinc/50/79/61/444507961.db2.gz MUNBJFCEVACBEP-CYBMUJFWSA-N 1 2 337.424 1.540 20 30 EDEDLO C[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)[C@H]2CCCC[C@H]12 ZINC000332312491 444509325 /nfs/dbraw/zinc/50/93/25/444509325.db2.gz XSIVANKWEOVZCU-OAGGEKHMSA-N 1 2 346.475 1.470 20 30 EDEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](O)C[C@H]1C)C1CCOCC1 ZINC000329381217 444557250 /nfs/dbraw/zinc/55/72/50/444557250.db2.gz NVCNGWKGIMZGNM-BPLDGKMQSA-N 1 2 336.436 1.740 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1cccc(C#N)c1 ZINC000342213404 444568515 /nfs/dbraw/zinc/56/85/15/444568515.db2.gz XZYRYPVSHJWABT-HNNXBMFYSA-N 1 2 330.432 1.463 20 30 EDEDLO Cc1cc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)cc(C#N)n1 ZINC000342232161 444578175 /nfs/dbraw/zinc/57/81/75/444578175.db2.gz VXRUCLCODVWBFZ-LJQANCHMSA-N 1 2 343.475 1.493 20 30 EDEDLO COc1cc(NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)ncn1 ZINC000329334182 444539608 /nfs/dbraw/zinc/53/96/08/444539608.db2.gz NXCQVEOKVMREOZ-NSHDSACASA-N 1 2 348.407 1.156 20 30 EDEDLO C[C@H](NC(=O)N1CCC[C@@H]1C1CCOCC1)[C@H](C)[NH+]1CCOCC1 ZINC000329447580 444582976 /nfs/dbraw/zinc/58/29/76/444582976.db2.gz KZZJYSDSOMIASS-YQQAZPJKSA-N 1 2 339.480 1.901 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329559280 444628520 /nfs/dbraw/zinc/62/85/20/444628520.db2.gz LVEKMDPVQUSVAF-CHWSQXEVSA-N 1 2 340.449 1.470 20 30 EDEDLO C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1nnc[nH]1 ZINC000329508475 444608496 /nfs/dbraw/zinc/60/84/96/444608496.db2.gz BHKPEJQOURUBFS-GFCCVEGCSA-N 1 2 329.408 1.429 20 30 EDEDLO COc1ccc2c(c1OC)CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2 ZINC000341003551 444626226 /nfs/dbraw/zinc/62/62/26/444626226.db2.gz YLVQSZBTBXUNSS-ZDUSSCGKSA-N 1 2 331.416 1.822 20 30 EDEDLO COc1ccc2c(c1OC)CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2 ZINC000341003551 444626227 /nfs/dbraw/zinc/62/62/27/444626227.db2.gz YLVQSZBTBXUNSS-ZDUSSCGKSA-N 1 2 331.416 1.822 20 30 EDEDLO Cc1ccc2c(c1)nc(CNC(=O)N1C[C@H]3OCC[N@H+](C)[C@H]3C1)n2C ZINC000329551898 444626420 /nfs/dbraw/zinc/62/64/20/444626420.db2.gz AQRHKHJUBXXSMQ-JKSUJKDBSA-N 1 2 343.431 1.311 20 30 EDEDLO Cc1ccc2c(c1)nc(CNC(=O)N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)n2C ZINC000329551898 444626424 /nfs/dbraw/zinc/62/64/24/444626424.db2.gz AQRHKHJUBXXSMQ-JKSUJKDBSA-N 1 2 343.431 1.311 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000329645141 444663299 /nfs/dbraw/zinc/66/32/99/444663299.db2.gz JFIIOWGSHPZDSW-NSHDSACASA-N 1 2 347.423 1.717 20 30 EDEDLO N#Cc1ccccc1OCC[N@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000343912707 444664057 /nfs/dbraw/zinc/66/40/57/444664057.db2.gz TXMNFMMOVSRQDN-GOSISDBHSA-N 1 2 335.407 1.980 20 30 EDEDLO N#Cc1ccccc1OCC[N@@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000343912707 444664060 /nfs/dbraw/zinc/66/40/60/444664060.db2.gz TXMNFMMOVSRQDN-GOSISDBHSA-N 1 2 335.407 1.980 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329689525 444680988 /nfs/dbraw/zinc/68/09/88/444680988.db2.gz BEPLMLNVFCFIDE-UKRRQHHQSA-N 1 2 340.468 1.698 20 30 EDEDLO CCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)[C@H]1CCOC(C)(C)C1 ZINC000329605116 444645647 /nfs/dbraw/zinc/64/56/47/444645647.db2.gz LZCSELWBTOVDAB-CABCVRRESA-N 1 2 327.469 1.901 20 30 EDEDLO Cc1c([C@H]2OCC[C@@H]2[NH+]=C([O-])N[C@@H]2CCc3[nH+]c[nH]c3C2)cnn1C ZINC000329751740 444702416 /nfs/dbraw/zinc/70/24/16/444702416.db2.gz VXGVDLUTOKYTAW-DIOULYMOSA-N 1 2 344.419 1.343 20 30 EDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000342478302 444708412 /nfs/dbraw/zinc/70/84/12/444708412.db2.gz RNIKGDWMBZXRGQ-GOSISDBHSA-N 1 2 343.427 1.649 20 30 EDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000342478302 444708416 /nfs/dbraw/zinc/70/84/16/444708416.db2.gz RNIKGDWMBZXRGQ-GOSISDBHSA-N 1 2 343.427 1.649 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000329870530 444748261 /nfs/dbraw/zinc/74/82/61/444748261.db2.gz ADLCYNMACVZDFX-JKIFEVAISA-N 1 2 339.436 1.927 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000329870530 444748262 /nfs/dbraw/zinc/74/82/62/444748262.db2.gz ADLCYNMACVZDFX-JKIFEVAISA-N 1 2 339.436 1.927 20 30 EDEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCOC2(CCOCC2)C1 ZINC000329906340 444762462 /nfs/dbraw/zinc/76/24/62/444762462.db2.gz SDBOTXQRESSLDS-AWEZNQCLSA-N 1 2 334.420 1.241 20 30 EDEDLO CCN1CCN([C@H](C)C(=O)Nc2ncccn2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329929908 444773774 /nfs/dbraw/zinc/77/37/74/444773774.db2.gz ZFEGXXFZFLMVEK-OLZOCXBDSA-N 1 2 329.408 1.555 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC)CC1 ZINC000338616983 444776525 /nfs/dbraw/zinc/77/65/25/444776525.db2.gz HUURHNDZFQIAMN-UHFFFAOYSA-N 1 2 348.495 1.311 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1COCCO1 ZINC000329949839 444782372 /nfs/dbraw/zinc/78/23/72/444782372.db2.gz BXFJJAOVGZRVOL-KCQAQPDRSA-N 1 2 341.383 1.576 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1COCCO1 ZINC000329949839 444782375 /nfs/dbraw/zinc/78/23/75/444782375.db2.gz BXFJJAOVGZRVOL-KCQAQPDRSA-N 1 2 341.383 1.576 20 30 EDEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1NC(C)=O ZINC000329961007 444788661 /nfs/dbraw/zinc/78/86/61/444788661.db2.gz OHLNMSVFOGVTIC-GDBMZVCRSA-N 1 2 348.403 1.863 20 30 EDEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1NC(C)=O ZINC000329961007 444788665 /nfs/dbraw/zinc/78/86/65/444788665.db2.gz OHLNMSVFOGVTIC-GDBMZVCRSA-N 1 2 348.403 1.863 20 30 EDEDLO C[C@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)[C@H]1CCCOC1 ZINC000329967735 444791534 /nfs/dbraw/zinc/79/15/34/444791534.db2.gz SRCSVIMGSCLHLR-KKUMJFAQSA-N 1 2 335.452 1.438 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCC3(CCCCC3)O2)C1 ZINC000330049934 444824776 /nfs/dbraw/zinc/82/47/76/444824776.db2.gz JYUDVUGZUJNQSR-HUUCEWRRSA-N 1 2 325.453 1.703 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCC3(CCCCC3)O2)C1 ZINC000330049934 444824780 /nfs/dbraw/zinc/82/47/80/444824780.db2.gz JYUDVUGZUJNQSR-HUUCEWRRSA-N 1 2 325.453 1.703 20 30 EDEDLO N#Cc1cc(S(=O)(=O)NCCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000336905361 444844094 /nfs/dbraw/zinc/84/40/94/444844094.db2.gz DQGPKCRCXMSPST-UHFFFAOYSA-N 1 2 344.318 1.752 20 30 EDEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCC(F)(F)C1 ZINC000330105967 444846284 /nfs/dbraw/zinc/84/62/84/444846284.db2.gz KEVFODBHULNRIT-STQMWFEESA-N 1 2 345.390 1.311 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000341487066 444856016 /nfs/dbraw/zinc/85/60/16/444856016.db2.gz YHFLVHSLJJTVSO-SOUVJXGZSA-N 1 2 337.443 1.986 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000336929208 444858238 /nfs/dbraw/zinc/85/82/38/444858238.db2.gz ZQUWLTWJYKPGOH-CYBMUJFWSA-N 1 2 335.433 1.459 20 30 EDEDLO CCNC(=O)C[NH+]1CCN(c2ncnc3c2ncn3C2CC2)CC1 ZINC000330274135 444917157 /nfs/dbraw/zinc/91/71/57/444917157.db2.gz JPOCEUVZPBSDIR-UHFFFAOYSA-N 1 2 329.408 1.260 20 30 EDEDLO Cn1nnnc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000341607667 444917909 /nfs/dbraw/zinc/91/79/09/444917909.db2.gz HURNUZKRLMOVBS-UHFFFAOYSA-N 1 2 333.783 1.196 20 30 EDEDLO Cn1nnnc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000341607667 444917913 /nfs/dbraw/zinc/91/79/13/444917913.db2.gz HURNUZKRLMOVBS-UHFFFAOYSA-N 1 2 333.783 1.196 20 30 EDEDLO COc1ccccc1CCNC(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330278033 444918940 /nfs/dbraw/zinc/91/89/40/444918940.db2.gz PBNPFTMRJJEDJU-WBVHZDCISA-N 1 2 333.432 1.209 20 30 EDEDLO COc1ccccc1CCNC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330278033 444918946 /nfs/dbraw/zinc/91/89/46/444918946.db2.gz PBNPFTMRJJEDJU-WBVHZDCISA-N 1 2 333.432 1.209 20 30 EDEDLO COc1ccccc1CCNC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330278033 444918948 /nfs/dbraw/zinc/91/89/48/444918948.db2.gz PBNPFTMRJJEDJU-WBVHZDCISA-N 1 2 333.432 1.209 20 30 EDEDLO COc1ccccc1CCNC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330278033 444918953 /nfs/dbraw/zinc/91/89/53/444918953.db2.gz PBNPFTMRJJEDJU-WBVHZDCISA-N 1 2 333.432 1.209 20 30 EDEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000338896761 444919231 /nfs/dbraw/zinc/91/92/31/444919231.db2.gz BMKRDSWWACVAKS-UHFFFAOYSA-N 1 2 346.399 1.474 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(OC)c1 ZINC000330289761 444923755 /nfs/dbraw/zinc/92/37/55/444923755.db2.gz FEVJEIIMLSGBQC-MJEQTWJJSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(OC)c1 ZINC000330289761 444923759 /nfs/dbraw/zinc/92/37/59/444923759.db2.gz FEVJEIIMLSGBQC-MJEQTWJJSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(OC)c1 ZINC000330289761 444923762 /nfs/dbraw/zinc/92/37/62/444923762.db2.gz FEVJEIIMLSGBQC-MJEQTWJJSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(OC)c1 ZINC000330289761 444923767 /nfs/dbraw/zinc/92/37/67/444923767.db2.gz FEVJEIIMLSGBQC-MJEQTWJJSA-N 1 2 349.431 1.695 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000330370519 444956202 /nfs/dbraw/zinc/95/62/02/444956202.db2.gz FOMWJEXZQCPRGV-GXTWGEPZSA-N 1 2 339.465 1.385 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000337151143 444964153 /nfs/dbraw/zinc/96/41/53/444964153.db2.gz JMYSFYVODFALKP-UHFFFAOYSA-N 1 2 325.438 1.132 20 30 EDEDLO COC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000342980492 444986836 /nfs/dbraw/zinc/98/68/36/444986836.db2.gz XNVBNXBWRYHWLB-OAHLLOKOSA-N 1 2 341.367 1.075 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(F)cc2)C1=O ZINC000337236705 444998372 /nfs/dbraw/zinc/99/83/72/444998372.db2.gz YECDZIPEOZWUIW-XJKSGUPXSA-N 1 2 333.407 1.722 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(F)cc2)C1=O ZINC000337236705 444998377 /nfs/dbraw/zinc/99/83/77/444998377.db2.gz YECDZIPEOZWUIW-XJKSGUPXSA-N 1 2 333.407 1.722 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)[NH+]1C ZINC000339071905 445019722 /nfs/dbraw/zinc/01/97/22/445019722.db2.gz CWTATOBZSROYAZ-UWVGGRQHSA-N 1 2 329.372 1.550 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330591846 445051594 /nfs/dbraw/zinc/05/15/94/445051594.db2.gz VRUXWXOLJWTANW-YFHUEUNASA-N 1 2 337.464 1.557 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330591846 445051596 /nfs/dbraw/zinc/05/15/96/445051596.db2.gz VRUXWXOLJWTANW-YFHUEUNASA-N 1 2 337.464 1.557 20 30 EDEDLO CC[N@H+](CCCNC(=O)C(=O)N1CCC(C#N)CC1)c1ccccc1 ZINC000339749337 445166888 /nfs/dbraw/zinc/16/68/88/445166888.db2.gz SZNRNRLYBKSKIQ-UHFFFAOYSA-N 1 2 342.443 1.781 20 30 EDEDLO CC[N@@H+](CCCNC(=O)C(=O)N1CCC(C#N)CC1)c1ccccc1 ZINC000339749337 445166893 /nfs/dbraw/zinc/16/68/93/445166893.db2.gz SZNRNRLYBKSKIQ-UHFFFAOYSA-N 1 2 342.443 1.781 20 30 EDEDLO N#Cc1ccc(NCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)nc1 ZINC000345269014 445177045 /nfs/dbraw/zinc/17/70/45/445177045.db2.gz VCIVEBSBFLVESH-UHFFFAOYSA-N 1 2 336.330 2.329 20 30 EDEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000330887039 445182474 /nfs/dbraw/zinc/18/24/74/445182474.db2.gz SIKCENMXHCWRBH-HNNXBMFYSA-N 1 2 343.493 1.179 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2nc(C)c(C)nc2C)C1 ZINC000330898201 445186822 /nfs/dbraw/zinc/18/68/22/445186822.db2.gz UURFVXPEVFPZNS-AWEZNQCLSA-N 1 2 334.420 1.591 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2nc(C)c(C)nc2C)C1 ZINC000330898201 445186824 /nfs/dbraw/zinc/18/68/24/445186824.db2.gz UURFVXPEVFPZNS-AWEZNQCLSA-N 1 2 334.420 1.591 20 30 EDEDLO CNC(=O)[C@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330799419 445146722 /nfs/dbraw/zinc/14/67/22/445146722.db2.gz GZAZTLHCLRPWPL-JTQLQIEISA-N 1 2 347.341 1.317 20 30 EDEDLO Cc1nc(S(=O)(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)cs1 ZINC000345766090 445198935 /nfs/dbraw/zinc/19/89/35/445198935.db2.gz YZVOLNIRILDFAT-UHFFFAOYSA-N 1 2 342.490 1.698 20 30 EDEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000347521855 445241044 /nfs/dbraw/zinc/24/10/44/445241044.db2.gz KEHZEXNOMVBYNR-UAGQMJEPSA-N 1 2 336.480 1.716 20 30 EDEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000347521855 445241045 /nfs/dbraw/zinc/24/10/45/445241045.db2.gz KEHZEXNOMVBYNR-UAGQMJEPSA-N 1 2 336.480 1.716 20 30 EDEDLO COC(=O)c1sc2[nH]c(C[NH2+][C@H]3CCC[C@@H]3C#N)nc(=O)c2c1C ZINC000347711230 445245710 /nfs/dbraw/zinc/24/57/10/445245710.db2.gz YZVADDLAZWOZIW-ZJUUUORDSA-N 1 2 346.412 1.862 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000348573160 445330095 /nfs/dbraw/zinc/33/00/95/445330095.db2.gz WAHCZPWPYMPSPN-OAHLLOKOSA-N 1 2 347.440 1.155 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000348573160 445330097 /nfs/dbraw/zinc/33/00/97/445330097.db2.gz WAHCZPWPYMPSPN-OAHLLOKOSA-N 1 2 347.440 1.155 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCOCC1)n1cnc(C#N)n1 ZINC000356965959 445351188 /nfs/dbraw/zinc/35/11/88/445351188.db2.gz MCWHJVYAXMEJNY-ZDUSSCGKSA-N 1 2 340.387 1.182 20 30 EDEDLO COC(=O)COc1ccc(C[NH+]2CCC(C#N)CC2)cc1[N+](=O)[O-] ZINC000355739508 445476592 /nfs/dbraw/zinc/47/65/92/445476592.db2.gz SABCOEXFYSYPAW-UHFFFAOYSA-N 1 2 333.344 1.882 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000352408545 445527880 /nfs/dbraw/zinc/52/78/80/445527880.db2.gz VQPVTNORXQUCMX-GJZGRUSLSA-N 1 2 336.461 1.029 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000352101278 445493634 /nfs/dbraw/zinc/49/36/34/445493634.db2.gz XWBMRLFNSHOHKL-UHFFFAOYSA-N 1 2 342.403 1.541 20 30 EDEDLO COc1cccc(N2C[C@@H]([NH2+]Cc3nc(C#N)cs3)CC2=O)c1 ZINC000352830949 445558317 /nfs/dbraw/zinc/55/83/17/445558317.db2.gz BHZCYTIRPHMEHH-NSHDSACASA-N 1 2 328.397 1.918 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000352861866 445560235 /nfs/dbraw/zinc/56/02/35/445560235.db2.gz KPQQBSLAEDRDLF-GJZGRUSLSA-N 1 2 341.477 1.053 20 30 EDEDLO C=CCN1C(=O)c2ccc(C(=O)N3CCn4cc[nH+]c4C3)cc2C1=O ZINC000358153447 445608137 /nfs/dbraw/zinc/60/81/37/445608137.db2.gz IFYOVGQPKRBSDO-UHFFFAOYSA-N 1 2 336.351 1.321 20 30 EDEDLO N#Cc1cccc(F)c1CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000349545621 445609629 /nfs/dbraw/zinc/60/96/29/445609629.db2.gz RCBQGEGKGOKZQE-UHFFFAOYSA-N 1 2 338.386 1.979 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000356057714 445595510 /nfs/dbraw/zinc/59/55/10/445595510.db2.gz BVHLAJHSKYMKOZ-NXEZZACHSA-N 1 2 329.372 1.550 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000356057714 445595515 /nfs/dbraw/zinc/59/55/15/445595515.db2.gz BVHLAJHSKYMKOZ-NXEZZACHSA-N 1 2 329.372 1.550 20 30 EDEDLO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349849214 445698144 /nfs/dbraw/zinc/69/81/44/445698144.db2.gz BQRORTJAAYHGME-UKRRQHHQSA-N 1 2 346.479 1.416 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)CCCC#N)CCC(=O)N1C1CC1 ZINC000360609661 445716825 /nfs/dbraw/zinc/71/68/25/445716825.db2.gz FWDHGMISABLZAO-CXAGYDPISA-N 1 2 329.404 1.425 20 30 EDEDLO CNC(=O)c1ccn([C@@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000356301385 445725074 /nfs/dbraw/zinc/72/50/74/445725074.db2.gz MHGCPFRTGBMRHG-GFCCVEGCSA-N 1 2 330.417 1.408 20 30 EDEDLO CNC(=O)c1ccn([C@@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000356301385 445725080 /nfs/dbraw/zinc/72/50/80/445725080.db2.gz MHGCPFRTGBMRHG-GFCCVEGCSA-N 1 2 330.417 1.408 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000349948024 445731115 /nfs/dbraw/zinc/73/11/15/445731115.db2.gz UNOKCTRYLYJFTQ-LSDHHAIUSA-N 1 2 335.427 1.387 20 30 EDEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000356596411 445877858 /nfs/dbraw/zinc/87/78/58/445877858.db2.gz RIFLQDBACQLYBU-UHFFFAOYSA-N 1 2 345.443 1.644 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000350558309 445849772 /nfs/dbraw/zinc/84/97/72/445849772.db2.gz QMXSKNDVBJBUKM-UHFFFAOYSA-N 1 2 339.334 1.938 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000363560219 445858576 /nfs/dbraw/zinc/85/85/76/445858576.db2.gz MINMISLONLDUEY-MSOLQXFVSA-N 1 2 345.487 1.487 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000363560219 445858579 /nfs/dbraw/zinc/85/85/79/445858579.db2.gz MINMISLONLDUEY-MSOLQXFVSA-N 1 2 345.487 1.487 20 30 EDEDLO CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000363571605 445859690 /nfs/dbraw/zinc/85/96/90/445859690.db2.gz QFIZNCHEBZNDQV-GOSISDBHSA-N 1 2 334.464 1.375 20 30 EDEDLO CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000363571605 445859692 /nfs/dbraw/zinc/85/96/92/445859692.db2.gz QFIZNCHEBZNDQV-GOSISDBHSA-N 1 2 334.464 1.375 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369066360 445906933 /nfs/dbraw/zinc/90/69/33/445906933.db2.gz RBYNJUXXDYGSLG-XJKSGUPXSA-N 1 2 340.427 1.876 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369066360 445906940 /nfs/dbraw/zinc/90/69/40/445906940.db2.gz RBYNJUXXDYGSLG-XJKSGUPXSA-N 1 2 340.427 1.876 20 30 EDEDLO N#CCOc1ccc(CNC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000364670172 445943009 /nfs/dbraw/zinc/94/30/09/445943009.db2.gz CQCLYVQSRXHKRC-OAHLLOKOSA-N 1 2 339.399 1.847 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000359117416 445960428 /nfs/dbraw/zinc/96/04/28/445960428.db2.gz LRBXHVRVYJYNHS-UHFFFAOYSA-N 1 2 344.318 1.796 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC2(CCOCC2)O1 ZINC000369282800 446048111 /nfs/dbraw/zinc/04/81/11/446048111.db2.gz JGQWFBWUOZOKMN-MRXNPFEDSA-N 1 2 349.475 1.941 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC2(CCOCC2)O1 ZINC000369282800 446048119 /nfs/dbraw/zinc/04/81/19/446048119.db2.gz JGQWFBWUOZOKMN-MRXNPFEDSA-N 1 2 349.475 1.941 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cn1 ZINC000351163584 446003372 /nfs/dbraw/zinc/00/33/72/446003372.db2.gz HMXDLYMXMDZFAU-UHFFFAOYSA-N 1 2 340.368 1.394 20 30 EDEDLO Cc1cc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)nn1CCC#N ZINC000366161307 446051352 /nfs/dbraw/zinc/05/13/52/446051352.db2.gz TXUGSDOKTPXYKJ-OAHLLOKOSA-N 1 2 340.387 2.185 20 30 EDEDLO CCn1ccnc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000583257828 326035968 /nfs/dbraw/zinc/03/59/68/326035968.db2.gz BSIARHAKMHHYRZ-LBPRGKRZSA-N 1 2 333.417 1.294 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369342790 446086883 /nfs/dbraw/zinc/08/68/83/446086883.db2.gz JUPDRTQSNMMKLC-OAHLLOKOSA-N 1 2 344.440 1.946 20 30 EDEDLO CC1(C)C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000369546170 446131433 /nfs/dbraw/zinc/13/14/33/446131433.db2.gz NRBPWTYCLWFKDY-LJQANCHMSA-N 1 2 349.475 1.989 20 30 EDEDLO CC1(C)C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000369546170 446131437 /nfs/dbraw/zinc/13/14/37/446131437.db2.gz NRBPWTYCLWFKDY-LJQANCHMSA-N 1 2 349.475 1.989 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000362206920 446262751 /nfs/dbraw/zinc/26/27/51/446262751.db2.gz GJOIQMNOGZUFQO-HNNXBMFYSA-N 1 2 345.443 1.895 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000366580690 446267688 /nfs/dbraw/zinc/26/76/88/446267688.db2.gz AMLOPZFOSPOTEY-KDOFPFPSSA-N 1 2 329.400 1.054 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000366580690 446267691 /nfs/dbraw/zinc/26/76/91/446267691.db2.gz AMLOPZFOSPOTEY-KDOFPFPSSA-N 1 2 329.400 1.054 20 30 EDEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000362281504 446303626 /nfs/dbraw/zinc/30/36/26/446303626.db2.gz YMEPOPCIGZQNBP-GFCCVEGCSA-N 1 2 328.351 1.225 20 30 EDEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000362281504 446303630 /nfs/dbraw/zinc/30/36/30/446303630.db2.gz YMEPOPCIGZQNBP-GFCCVEGCSA-N 1 2 328.351 1.225 20 30 EDEDLO C[N@H+]1CCN(C2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374804119 446400940 /nfs/dbraw/zinc/40/09/40/446400940.db2.gz YKWLUTFZBXSLNP-UHFFFAOYSA-N 1 2 343.387 1.209 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374804119 446400937 /nfs/dbraw/zinc/40/09/37/446400937.db2.gz YKWLUTFZBXSLNP-UHFFFAOYSA-N 1 2 343.387 1.209 20 30 EDEDLO C=CCNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000367001920 446456683 /nfs/dbraw/zinc/45/66/83/446456683.db2.gz HUUVGZIGMQKJSU-CQSZACIVSA-N 1 2 338.452 1.509 20 30 EDEDLO C=CC(C)(C)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000452775668 446466519 /nfs/dbraw/zinc/46/65/19/446466519.db2.gz OXJOKOSRAPHKIS-UHFFFAOYSA-N 1 2 344.459 1.839 20 30 EDEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000367057664 446493738 /nfs/dbraw/zinc/49/37/38/446493738.db2.gz LQWWQCWEXKJYTK-HNNXBMFYSA-N 1 2 328.416 1.234 20 30 EDEDLO CCOC1CC(CNc2cc(C#N)cc(C)n2)([NH+]2CCOCC2)C1 ZINC000376432849 446494452 /nfs/dbraw/zinc/49/44/52/446494452.db2.gz GKPVXHWAOXULNR-UHFFFAOYSA-N 1 2 330.432 1.944 20 30 EDEDLO C=CCn1c([C@H]2CCCCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000453439112 446557288 /nfs/dbraw/zinc/55/72/88/446557288.db2.gz LEHLYFQFKHCFCM-OAHLLOKOSA-N 1 2 335.452 1.474 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000376558502 446575875 /nfs/dbraw/zinc/57/58/75/446575875.db2.gz YQPSDULWNOATPB-NVXWUHKLSA-N 1 2 332.448 1.436 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000376558502 446575882 /nfs/dbraw/zinc/57/58/82/446575882.db2.gz YQPSDULWNOATPB-NVXWUHKLSA-N 1 2 332.448 1.436 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2nccn2C)CC1 ZINC000376558502 446575886 /nfs/dbraw/zinc/57/58/86/446575886.db2.gz YQPSDULWNOATPB-NVXWUHKLSA-N 1 2 332.448 1.436 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC2(CCOC2=O)CC1 ZINC000371151877 446658905 /nfs/dbraw/zinc/65/89/05/446658905.db2.gz QVDFAJOEXNMRBM-ZDUSSCGKSA-N 1 2 327.384 1.914 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000453939785 446717779 /nfs/dbraw/zinc/71/77/79/446717779.db2.gz OPAXTVXCNHFCID-CABCVRRESA-N 1 2 340.383 1.485 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3ncccc3C2)CC1 ZINC000368322028 446785907 /nfs/dbraw/zinc/78/59/07/446785907.db2.gz RLBJBRFMKOYRGH-SFHVURJKSA-N 1 2 341.459 1.132 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3ncccc3C2)CC1 ZINC000368322028 446785910 /nfs/dbraw/zinc/78/59/10/446785910.db2.gz RLBJBRFMKOYRGH-SFHVURJKSA-N 1 2 341.459 1.132 20 30 EDEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)N2CCO[C@@H](C#N)C2)c1 ZINC000371447212 446863762 /nfs/dbraw/zinc/86/37/62/446863762.db2.gz JSTNBARHNVRWMK-HNNXBMFYSA-N 1 2 325.372 1.521 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)NCCCCC#N)C1 ZINC000441186199 446865006 /nfs/dbraw/zinc/86/50/06/446865006.db2.gz CMKQIYLGPSHRRF-KRWDZBQOSA-N 1 2 338.452 1.786 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000368750442 447084263 /nfs/dbraw/zinc/08/42/63/447084263.db2.gz CJKIRYIDYWCZLV-ADOMEBDSSA-N 1 2 333.432 1.601 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000368750442 447084265 /nfs/dbraw/zinc/08/42/65/447084265.db2.gz CJKIRYIDYWCZLV-ADOMEBDSSA-N 1 2 333.432 1.601 20 30 EDEDLO C=CCn1cc(CNC(=O)NCc2ccc(N(CC)CC)[nH+]c2)nn1 ZINC000425422322 447158913 /nfs/dbraw/zinc/15/89/13/447158913.db2.gz MXGJEVDNKJVZPQ-UHFFFAOYSA-N 1 2 343.435 1.705 20 30 EDEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccnn1C ZINC000421737905 447235667 /nfs/dbraw/zinc/23/56/67/447235667.db2.gz OHVZLYXVLAYZNT-HNNXBMFYSA-N 1 2 337.427 1.740 20 30 EDEDLO CN1C[C@@H]2C[N@H+](Cc3cccn3Cc3ccccc3C#N)CCN2C1=O ZINC000376053840 447238485 /nfs/dbraw/zinc/23/84/85/447238485.db2.gz LUJNJVGOHXKRHH-LJQANCHMSA-N 1 2 349.438 1.960 20 30 EDEDLO CN1C[C@@H]2C[N@@H+](Cc3cccn3Cc3ccccc3C#N)CCN2C1=O ZINC000376053840 447238487 /nfs/dbraw/zinc/23/84/87/447238487.db2.gz LUJNJVGOHXKRHH-LJQANCHMSA-N 1 2 349.438 1.960 20 30 EDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)CC#N)C1 ZINC000422478782 447583961 /nfs/dbraw/zinc/58/39/61/447583961.db2.gz IOHWECOVENJBLM-CQSZACIVSA-N 1 2 345.447 1.257 20 30 EDEDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000495643058 447540339 /nfs/dbraw/zinc/54/03/39/447540339.db2.gz WNLZUYWVOKUHGT-AWEZNQCLSA-N 1 2 336.436 1.540 20 30 EDEDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000495643058 447540347 /nfs/dbraw/zinc/54/03/47/447540347.db2.gz WNLZUYWVOKUHGT-AWEZNQCLSA-N 1 2 336.436 1.540 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1 ZINC000450893861 447607994 /nfs/dbraw/zinc/60/79/94/447607994.db2.gz DKLJBDFPRUTLQC-CQSZACIVSA-N 1 2 341.371 1.143 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1 ZINC000450893861 447608007 /nfs/dbraw/zinc/60/80/07/447608007.db2.gz DKLJBDFPRUTLQC-CQSZACIVSA-N 1 2 341.371 1.143 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)c1 ZINC000450893861 447608013 /nfs/dbraw/zinc/60/80/13/447608013.db2.gz DKLJBDFPRUTLQC-CQSZACIVSA-N 1 2 341.371 1.143 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)c1 ZINC000450893861 447608021 /nfs/dbraw/zinc/60/80/21/447608021.db2.gz DKLJBDFPRUTLQC-CQSZACIVSA-N 1 2 341.371 1.143 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC(C)(C)OC[C@@H]2C)CC1 ZINC000408360819 447653124 /nfs/dbraw/zinc/65/31/24/447653124.db2.gz ZLCILEXBEXOUAL-HOTGVXAUSA-N 1 2 336.480 1.178 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC(C)(C)OC[C@@H]2C)CC1 ZINC000408360819 447653132 /nfs/dbraw/zinc/65/31/32/447653132.db2.gz ZLCILEXBEXOUAL-HOTGVXAUSA-N 1 2 336.480 1.178 20 30 EDEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428002323 447672583 /nfs/dbraw/zinc/67/25/83/447672583.db2.gz WRTWHQJROVTOIT-YVEFUNNKSA-N 1 2 332.404 1.576 20 30 EDEDLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459467562 447676788 /nfs/dbraw/zinc/67/67/88/447676788.db2.gz QEGSXRGRTUMWBJ-SWLSCSKDSA-N 1 2 348.834 1.985 20 30 EDEDLO N#C[C@@H]1C[N@@H+](CCn2nc3ccccn3c2=O)C[C@H]1c1ccccc1 ZINC000429010717 447722406 /nfs/dbraw/zinc/72/24/06/447722406.db2.gz RDTBOXRRSPQJEW-SJORKVTESA-N 1 2 333.395 1.735 20 30 EDEDLO N#C[C@@H]1C[N@H+](CCn2nc3ccccn3c2=O)C[C@H]1c1ccccc1 ZINC000429010717 447722412 /nfs/dbraw/zinc/72/24/12/447722412.db2.gz RDTBOXRRSPQJEW-SJORKVTESA-N 1 2 333.395 1.735 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459643389 447729048 /nfs/dbraw/zinc/72/90/48/447729048.db2.gz HZBLVPVUSSBXMN-GTNSWQLSSA-N 1 2 349.456 1.255 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459643389 447729053 /nfs/dbraw/zinc/72/90/53/447729053.db2.gz HZBLVPVUSSBXMN-GTNSWQLSSA-N 1 2 349.456 1.255 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000451545438 447738304 /nfs/dbraw/zinc/73/83/04/447738304.db2.gz HJAPHRZUDGCAGH-CQSZACIVSA-N 1 2 334.401 1.966 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000451690853 447747873 /nfs/dbraw/zinc/74/78/73/447747873.db2.gz PKEBKRFCDYUNMD-CHWSQXEVSA-N 1 2 339.465 1.529 20 30 EDEDLO Cn1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000429857454 447758688 /nfs/dbraw/zinc/75/86/88/447758688.db2.gz BOKBHFXDPOCUHT-UHFFFAOYSA-N 1 2 337.427 1.569 20 30 EDEDLO CS(=O)(=O)CC1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000430119466 447766385 /nfs/dbraw/zinc/76/63/85/447766385.db2.gz DEFFLVRWRHGVDT-UHFFFAOYSA-N 1 2 332.429 1.463 20 30 EDEDLO C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497103426 447856180 /nfs/dbraw/zinc/85/61/80/447856180.db2.gz VOEKAVKAUMPPJU-IIYDPXPESA-N 1 2 336.436 1.203 20 30 EDEDLO C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497103426 447856184 /nfs/dbraw/zinc/85/61/84/447856184.db2.gz VOEKAVKAUMPPJU-IIYDPXPESA-N 1 2 336.436 1.203 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C3CCCC3)n2CC)CC1 ZINC000549046249 447862085 /nfs/dbraw/zinc/86/20/85/447862085.db2.gz DUHXPXXAKKGRDF-UHFFFAOYSA-N 1 2 346.479 1.380 20 30 EDEDLO C#C[C@H](NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C(C)(C)C ZINC000491230023 447967980 /nfs/dbraw/zinc/96/79/80/447967980.db2.gz KFGWVSJSDGLBEU-KGLIPLIRSA-N 1 2 345.447 1.258 20 30 EDEDLO C#CCNc1nc(N2CCC[C@@H](F)C2)nc(N2CCC[C@H](F)C2)[nH+]1 ZINC000491438212 448028761 /nfs/dbraw/zinc/02/87/61/448028761.db2.gz AORPUFYTICHOFN-BETUJISGSA-N 1 2 336.390 1.215 20 30 EDEDLO C#CCNc1nc(N2CCC[C@H](F)C2)nc(N2CCC[C@@H](F)C2)[nH+]1 ZINC000491438212 448028764 /nfs/dbraw/zinc/02/87/64/448028764.db2.gz AORPUFYTICHOFN-BETUJISGSA-N 1 2 336.390 1.215 20 30 EDEDLO CC#CCN(C)C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497305346 448059800 /nfs/dbraw/zinc/05/98/00/448059800.db2.gz JYPREPWFFXJYCP-UHFFFAOYSA-N 1 2 338.452 1.204 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000491659721 448077030 /nfs/dbraw/zinc/07/70/30/448077030.db2.gz ISDGHDNAYSGAHX-CVEARBPZSA-N 1 2 334.464 1.126 20 30 EDEDLO C=C(C)CONC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496983059 448096440 /nfs/dbraw/zinc/09/64/40/448096440.db2.gz YBPVUTBSIOCWTH-ZDUSSCGKSA-N 1 2 342.440 1.344 20 30 EDEDLO C=C(C)CONC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496983059 448096442 /nfs/dbraw/zinc/09/64/42/448096442.db2.gz YBPVUTBSIOCWTH-ZDUSSCGKSA-N 1 2 342.440 1.344 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000561986875 448240157 /nfs/dbraw/zinc/24/01/57/448240157.db2.gz CDJKHJGMBAPJGE-HNAYVOBHSA-N 1 2 344.459 1.678 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000561986875 448240164 /nfs/dbraw/zinc/24/01/64/448240164.db2.gz CDJKHJGMBAPJGE-HNAYVOBHSA-N 1 2 344.459 1.678 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000532422143 448257586 /nfs/dbraw/zinc/25/75/86/448257586.db2.gz ZCIHJPFCRMUEHC-SJORKVTESA-N 1 2 349.456 1.480 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000563904113 448318363 /nfs/dbraw/zinc/31/83/63/448318363.db2.gz IOMUZRCWAGPHGC-UHFFFAOYSA-N 1 2 340.774 2.312 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000577538330 448324203 /nfs/dbraw/zinc/32/42/03/448324203.db2.gz KKMMHTAKENJLNV-GYSYKLTISA-N 1 2 349.456 1.111 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000577538330 448324211 /nfs/dbraw/zinc/32/42/11/448324211.db2.gz KKMMHTAKENJLNV-GYSYKLTISA-N 1 2 349.456 1.111 20 30 EDEDLO Cc1noc2nc(C3CC3)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c12 ZINC000563220427 448291233 /nfs/dbraw/zinc/29/12/33/448291233.db2.gz NRIOFVFRAXUJQZ-QGZVFWFLSA-N 1 2 327.388 1.982 20 30 EDEDLO CC(=O)CCc1ccc(OCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000563220412 448291915 /nfs/dbraw/zinc/29/19/15/448291915.db2.gz NDCKPPNAOGOOLQ-IBGZPJMESA-N 1 2 345.443 1.937 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000572125070 448294522 /nfs/dbraw/zinc/29/45/22/448294522.db2.gz OGECFLZZTYWVNM-INIZCTEOSA-N 1 2 342.359 1.354 20 30 EDEDLO CCC1CCC2(CC1)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C2=O ZINC000591241212 448296772 /nfs/dbraw/zinc/29/67/72/448296772.db2.gz NVWNINKCIDVQOQ-UUCFBXCCSA-N 1 2 336.436 1.084 20 30 EDEDLO CCC1CCC2(CC1)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C2=O ZINC000591241212 448296779 /nfs/dbraw/zinc/29/67/79/448296779.db2.gz NVWNINKCIDVQOQ-UUCFBXCCSA-N 1 2 336.436 1.084 20 30 EDEDLO N#Cc1cc(F)ccc1CS(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000577706859 448362972 /nfs/dbraw/zinc/36/29/72/448362972.db2.gz JOWSMFGAPZHKMC-UHFFFAOYSA-N 1 2 348.403 1.850 20 30 EDEDLO CC(=O)N(Cc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1)C1CC1 ZINC000565359342 448365642 /nfs/dbraw/zinc/36/56/42/448365642.db2.gz UOZQDPFDTHAFLE-IBGZPJMESA-N 1 2 344.459 1.816 20 30 EDEDLO CC(=O)N(Cc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1)C1CC1 ZINC000565359342 448365647 /nfs/dbraw/zinc/36/56/47/448365647.db2.gz UOZQDPFDTHAFLE-IBGZPJMESA-N 1 2 344.459 1.816 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nc(C#N)c(Cl)s1 ZINC000528133234 448440262 /nfs/dbraw/zinc/44/02/62/448440262.db2.gz UCCVLRONPYTLCB-AWEZNQCLSA-N 1 2 342.852 1.696 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nc(C#N)c(Cl)s1 ZINC000528133234 448440266 /nfs/dbraw/zinc/44/02/66/448440266.db2.gz UCCVLRONPYTLCB-AWEZNQCLSA-N 1 2 342.852 1.696 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCC(=O)N1CCc2sccc2C1 ZINC000572934025 448497650 /nfs/dbraw/zinc/49/76/50/448497650.db2.gz PORLPVBQZVYZEN-QGZVFWFLSA-N 1 2 348.472 1.373 20 30 EDEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528504918 448559633 /nfs/dbraw/zinc/55/96/33/448559633.db2.gz HRODTDADBZZAKD-UXIGCNINSA-N 1 2 344.333 1.950 20 30 EDEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528504918 448559636 /nfs/dbraw/zinc/55/96/36/448559636.db2.gz HRODTDADBZZAKD-UXIGCNINSA-N 1 2 344.333 1.950 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCC(=O)C3)CC2)cc1 ZINC000573122433 448550657 /nfs/dbraw/zinc/55/06/57/448550657.db2.gz HFNUWXSHEBVBIV-KRWDZBQOSA-N 1 2 325.412 1.962 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC(=O)C3)CC2)cc1 ZINC000573122433 448550662 /nfs/dbraw/zinc/55/06/62/448550662.db2.gz HFNUWXSHEBVBIV-KRWDZBQOSA-N 1 2 325.412 1.962 20 30 EDEDLO C=CCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(=O)OCC ZINC000518325584 448663375 /nfs/dbraw/zinc/66/33/75/448663375.db2.gz IKZNPPPYICZSJP-CYBMUJFWSA-N 1 2 329.360 1.290 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ncccc2F)CC1 ZINC000528825539 448690111 /nfs/dbraw/zinc/69/01/11/448690111.db2.gz SHZIYHDDCTYBRV-HOCLYGCPSA-N 1 2 347.438 1.564 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149454 448710286 /nfs/dbraw/zinc/71/02/86/448710286.db2.gz PJYGQIYLRBIKNY-GTNSWQLSSA-N 1 2 344.440 1.786 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149454 448710291 /nfs/dbraw/zinc/71/02/91/448710291.db2.gz PJYGQIYLRBIKNY-GTNSWQLSSA-N 1 2 344.440 1.786 20 30 EDEDLO CCc1ccccc1N1C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1=O ZINC000567995375 448796095 /nfs/dbraw/zinc/79/60/95/448796095.db2.gz IQVXKWALGARMFM-DNVCBOLYSA-N 1 2 342.443 1.562 20 30 EDEDLO C[C@@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1noc(Cc2ccccc2)n1 ZINC000568501123 448878768 /nfs/dbraw/zinc/87/87/68/448878768.db2.gz PZGPWXREPGRUIV-GDBMZVCRSA-N 1 2 343.431 1.517 20 30 EDEDLO C[C@@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1noc(Cc2ccccc2)n1 ZINC000568501123 448878775 /nfs/dbraw/zinc/87/87/75/448878775.db2.gz PZGPWXREPGRUIV-GDBMZVCRSA-N 1 2 343.431 1.517 20 30 EDEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC(F)F ZINC000574578379 448907913 /nfs/dbraw/zinc/90/79/13/448907913.db2.gz KUIUWORBVOPXMH-OAHLLOKOSA-N 1 2 327.331 1.870 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000568958833 448943551 /nfs/dbraw/zinc/94/35/51/448943551.db2.gz RMJYCVFXCGTJOC-ZDUSSCGKSA-N 1 2 329.360 1.456 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000568958833 448943555 /nfs/dbraw/zinc/94/35/55/448943555.db2.gz RMJYCVFXCGTJOC-ZDUSSCGKSA-N 1 2 329.360 1.456 20 30 EDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000592854883 449021164 /nfs/dbraw/zinc/02/11/64/449021164.db2.gz ZSIZUBKTEMYVIT-INIZCTEOSA-N 1 2 334.326 1.500 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000589892172 449072751 /nfs/dbraw/zinc/07/27/51/449072751.db2.gz KAJJIQAIYSTTKM-CYBMUJFWSA-N 1 2 334.376 1.920 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(CC#N)cc1)C(C)(C)CO ZINC000597844841 449119422 /nfs/dbraw/zinc/11/94/22/449119422.db2.gz CTCBABZWOAZPGM-HNNXBMFYSA-N 1 2 326.400 1.976 20 30 EDEDLO CC(=O)N[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(C)cc1 ZINC000593155573 449154229 /nfs/dbraw/zinc/15/42/29/449154229.db2.gz FJZXVSRZQGMOJM-FUHWJXTLSA-N 1 2 330.432 1.522 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000593156382 449154557 /nfs/dbraw/zinc/15/45/57/449154557.db2.gz WCSLNWYIYVZJOS-GOSISDBHSA-N 1 2 342.399 1.023 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595737166 449138767 /nfs/dbraw/zinc/13/87/67/449138767.db2.gz GQYCHXDEBHXSEJ-GXTWGEPZSA-N 1 2 346.818 1.751 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595737166 449138771 /nfs/dbraw/zinc/13/87/71/449138771.db2.gz GQYCHXDEBHXSEJ-GXTWGEPZSA-N 1 2 346.818 1.751 20 30 EDEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1n[nH]c3cc(C#N)c(C)cc31)CC2 ZINC000600082405 449179130 /nfs/dbraw/zinc/17/91/30/449179130.db2.gz BHUVRISPSGGTBV-LBPRGKRZSA-N 1 2 334.383 2.449 20 30 EDEDLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCN(CCC#N)CC1 ZINC000611174709 449200566 /nfs/dbraw/zinc/20/05/66/449200566.db2.gz PASRBNVRCFQVLM-WBVHZDCISA-N 1 2 342.443 1.546 20 30 EDEDLO CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601863871 449193479 /nfs/dbraw/zinc/19/34/79/449193479.db2.gz CYAHMKSFQGDLQJ-YJNKXOJESA-N 1 2 332.452 1.818 20 30 EDEDLO CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601863871 449193483 /nfs/dbraw/zinc/19/34/83/449193483.db2.gz CYAHMKSFQGDLQJ-YJNKXOJESA-N 1 2 332.452 1.818 20 30 EDEDLO C[C@]1(C(F)F)C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000595915079 449250396 /nfs/dbraw/zinc/25/03/96/449250396.db2.gz HKDZDOXMCWERSA-WMLDXEAASA-N 1 2 340.370 1.848 20 30 EDEDLO C[C@]1(C(F)F)C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000595915079 449250403 /nfs/dbraw/zinc/25/04/03/449250403.db2.gz HKDZDOXMCWERSA-WMLDXEAASA-N 1 2 340.370 1.848 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000593887214 449265036 /nfs/dbraw/zinc/26/50/36/449265036.db2.gz PXYVOLBPQYXFPR-UHFFFAOYSA-N 1 2 331.416 1.173 20 30 EDEDLO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000593895329 449269077 /nfs/dbraw/zinc/26/90/77/449269077.db2.gz ZLGZPIAZNJLKLN-UHFFFAOYSA-N 1 2 330.432 1.410 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000594283391 449428921 /nfs/dbraw/zinc/42/89/21/449428921.db2.gz HJVIRMSJDUIFTQ-BZUAXINKSA-N 1 2 329.444 1.962 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCN(CCC#N)CC1 ZINC000602203976 449432222 /nfs/dbraw/zinc/43/22/22/449432222.db2.gz DXPANDOQMXEOSM-UHFFFAOYSA-N 1 2 325.416 1.793 20 30 EDEDLO COc1ccc(-c2nc(CNC(=O)[C@H]([NH3+])CCCCC#N)n[nH]2)cc1 ZINC000594434277 449513323 /nfs/dbraw/zinc/51/33/23/449513323.db2.gz MHVZMOWARIMADE-CQSZACIVSA-N 1 2 342.403 1.508 20 30 EDEDLO COCCc1ncc(C[NH+]2CCN(c3ncccc3C#N)CC2)s1 ZINC000602436211 449585430 /nfs/dbraw/zinc/58/54/30/449585430.db2.gz WRXQMCCYDRFOBL-UHFFFAOYSA-N 1 2 343.456 1.921 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612162658 449593955 /nfs/dbraw/zinc/59/39/55/449593955.db2.gz LMBMVAXDZKDEBJ-IIDMSEBBSA-N 1 2 335.448 1.802 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612162658 449593961 /nfs/dbraw/zinc/59/39/61/449593961.db2.gz LMBMVAXDZKDEBJ-IIDMSEBBSA-N 1 2 335.448 1.802 20 30 EDEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602760564 449787882 /nfs/dbraw/zinc/78/78/82/449787882.db2.gz XDWOZLNVDYSMGV-SFHVURJKSA-N 1 2 342.418 1.973 20 30 EDEDLO COC(=O)[C@@]1(C)CN(c2[nH+]cnc3c2cnn3CCC#N)C[C@@H]1C ZINC000601211973 449753542 /nfs/dbraw/zinc/75/35/42/449753542.db2.gz CKVGBMTZVHYHNL-ZBEGNZNMSA-N 1 2 328.376 1.375 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cc(C2CC2)no1 ZINC000597021454 449770488 /nfs/dbraw/zinc/77/04/88/449770488.db2.gz LPURHNWHWXLWLA-UHFFFAOYSA-N 1 2 332.404 1.169 20 30 EDEDLO CO[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CCCCC1 ZINC000597024714 449772962 /nfs/dbraw/zinc/77/29/62/449772962.db2.gz OILLPOBIUCTIFN-KRWDZBQOSA-N 1 2 337.464 1.656 20 30 EDEDLO Cc1ccc(C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1C#N ZINC000599252170 449832802 /nfs/dbraw/zinc/83/28/02/449832802.db2.gz MZIUBXPSIXROEX-OAHLLOKOSA-N 1 2 326.444 1.651 20 30 EDEDLO Cc1ccc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cc1C#N ZINC000599252170 449832806 /nfs/dbraw/zinc/83/28/06/449832806.db2.gz MZIUBXPSIXROEX-OAHLLOKOSA-N 1 2 326.444 1.651 20 30 EDEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)N1CC#N ZINC000602860494 449868899 /nfs/dbraw/zinc/86/88/99/449868899.db2.gz IVRPMMVYGVPURE-RVKKMQEKSA-N 1 2 337.427 1.582 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)N1CC#N ZINC000602860494 449868904 /nfs/dbraw/zinc/86/89/04/449868904.db2.gz IVRPMMVYGVPURE-RVKKMQEKSA-N 1 2 337.427 1.582 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CC#N ZINC000602866225 449876435 /nfs/dbraw/zinc/87/64/35/449876435.db2.gz VIKKGASVLLZBSW-OKILXGFUSA-N 1 2 345.403 1.476 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1CC#N ZINC000602866225 449876443 /nfs/dbraw/zinc/87/64/43/449876443.db2.gz VIKKGASVLLZBSW-OKILXGFUSA-N 1 2 345.403 1.476 20 30 EDEDLO N#Cc1csc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)n1 ZINC000602889286 449897335 /nfs/dbraw/zinc/89/73/35/449897335.db2.gz CWZVKCRXUCBKKM-CQSZACIVSA-N 1 2 338.502 1.654 20 30 EDEDLO N#Cc1csc(C[N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)n1 ZINC000602889286 449897338 /nfs/dbraw/zinc/89/73/38/449897338.db2.gz CWZVKCRXUCBKKM-CQSZACIVSA-N 1 2 338.502 1.654 20 30 EDEDLO CCC(CC)CN(CCC#N)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601338174 449847418 /nfs/dbraw/zinc/84/74/18/449847418.db2.gz PEZXHSUHZQMSQK-HNNXBMFYSA-N 1 2 331.482 1.299 20 30 EDEDLO CCC(CC)CN(CCC#N)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601338174 449847422 /nfs/dbraw/zinc/84/74/22/449847422.db2.gz PEZXHSUHZQMSQK-HNNXBMFYSA-N 1 2 331.482 1.299 20 30 EDEDLO N#CC1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCCCC1 ZINC000595183443 449930119 /nfs/dbraw/zinc/93/01/19/449930119.db2.gz QWMBFHLGDNZJCQ-UHFFFAOYSA-N 1 2 325.372 1.863 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNS(=O)(=O)CC2(C#N)CC2)cc1 ZINC000599409573 449954427 /nfs/dbraw/zinc/95/44/27/449954427.db2.gz RMEJLKBSBTUFFH-OAHLLOKOSA-N 1 2 349.456 1.493 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNS(=O)(=O)CC2(C#N)CC2)cc1 ZINC000599409573 449954431 /nfs/dbraw/zinc/95/44/31/449954431.db2.gz RMEJLKBSBTUFFH-OAHLLOKOSA-N 1 2 349.456 1.493 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602922633 449922505 /nfs/dbraw/zinc/92/25/05/449922505.db2.gz ADFFVSCTSAUKBO-KLICCBINSA-N 1 2 345.443 1.553 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602922633 449922511 /nfs/dbraw/zinc/92/25/11/449922511.db2.gz ADFFVSCTSAUKBO-KLICCBINSA-N 1 2 345.443 1.553 20 30 EDEDLO N#Cc1cccc(OCCN2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000602998947 449992767 /nfs/dbraw/zinc/99/27/67/449992767.db2.gz SWDHROQPNMQSRF-UHFFFAOYSA-N 1 2 337.427 1.587 20 30 EDEDLO CN(CC1CC1)S(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000610004826 450125641 /nfs/dbraw/zinc/12/56/41/450125641.db2.gz KYSRDZYIIJUULF-UHFFFAOYSA-N 1 2 348.472 1.262 20 30 EDEDLO C[C@]1(C#N)CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000595441294 450145620 /nfs/dbraw/zinc/14/56/20/450145620.db2.gz WMPKGBAYBYNGKK-QGZVFWFLSA-N 1 2 329.404 1.363 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599679964 450147143 /nfs/dbraw/zinc/14/71/43/450147143.db2.gz OGRHFVAAXSVATO-WMLDXEAASA-N 1 2 343.427 1.767 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599679964 450147145 /nfs/dbraw/zinc/14/71/45/450147145.db2.gz OGRHFVAAXSVATO-WMLDXEAASA-N 1 2 343.427 1.767 20 30 EDEDLO N#C[C@@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)CC12CCCC2 ZINC000597640512 450164650 /nfs/dbraw/zinc/16/46/50/450164650.db2.gz LDSOUXATIZMVAG-RDTXWAMCSA-N 1 2 343.431 1.872 20 30 EDEDLO N#C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)CC12CCCC2 ZINC000597640512 450164655 /nfs/dbraw/zinc/16/46/55/450164655.db2.gz LDSOUXATIZMVAG-RDTXWAMCSA-N 1 2 343.431 1.872 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613410333 450168293 /nfs/dbraw/zinc/16/82/93/450168293.db2.gz GKRYOECNTXXIPS-UHFFFAOYSA-N 1 2 341.459 1.675 20 30 EDEDLO COc1cc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)c(F)cc1C#N ZINC000599816163 450232864 /nfs/dbraw/zinc/23/28/64/450232864.db2.gz AWHPHPIKUGQRGD-LLVKDONJSA-N 1 2 336.367 1.548 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)NCCc2ccc(C#N)cc2)CCO1 ZINC000595547439 450223246 /nfs/dbraw/zinc/22/32/46/450223246.db2.gz OTFQQYCQFUKZIL-UHFFFAOYSA-N 1 2 330.432 1.511 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)NCCc2ccc(C#N)cc2)CCO1 ZINC000595547439 450223250 /nfs/dbraw/zinc/22/32/50/450223250.db2.gz OTFQQYCQFUKZIL-UHFFFAOYSA-N 1 2 330.432 1.511 20 30 EDEDLO CN(C)c1ccc(Cn2cc(CN(C)c3cnc(C#N)cn3)nn2)c[nH+]1 ZINC000603255011 450183409 /nfs/dbraw/zinc/18/34/09/450183409.db2.gz DMQFNCYNJORBQU-UHFFFAOYSA-N 1 2 349.402 1.085 20 30 EDEDLO 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1.785 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000739761150 579247163 /nfs/dbraw/zinc/24/71/63/579247163.db2.gz SFDOBMYSZFUGGV-CVEARBPZSA-N 1 2 345.830 1.659 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000739761150 579247164 /nfs/dbraw/zinc/24/71/64/579247164.db2.gz SFDOBMYSZFUGGV-CVEARBPZSA-N 1 2 345.830 1.659 20 30 EDEDLO CCC[N@H+](CC(=O)N(C)C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744389277 579508983 /nfs/dbraw/zinc/50/89/83/579508983.db2.gz CPOPEWWFBFSUCZ-UHFFFAOYSA-N 1 2 341.415 1.220 20 30 EDEDLO CCC[N@@H+](CC(=O)N(C)C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744389277 579508984 /nfs/dbraw/zinc/50/89/84/579508984.db2.gz CPOPEWWFBFSUCZ-UHFFFAOYSA-N 1 2 341.415 1.220 20 30 EDEDLO C=CC[N@@H+](C[C@@H](O)c1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000746666420 579605850 /nfs/dbraw/zinc/60/58/50/579605850.db2.gz PUCAMOUXQAJRCT-GDBMZVCRSA-N 1 2 327.421 1.843 20 30 EDEDLO C=CC[N@H+](C[C@@H](O)c1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000746666420 579605851 /nfs/dbraw/zinc/60/58/51/579605851.db2.gz PUCAMOUXQAJRCT-GDBMZVCRSA-N 1 2 327.421 1.843 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000777668610 580448107 /nfs/dbraw/zinc/44/81/07/580448107.db2.gz YUJIPSSYTYWMGG-HNNXBMFYSA-N 1 2 337.383 1.117 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000777668614 580448113 /nfs/dbraw/zinc/44/81/13/580448113.db2.gz YUJIPSSYTYWMGG-OAHLLOKOSA-N 1 2 337.383 1.117 20 30 EDEDLO C#CC[N@@H+](CC)CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C ZINC000749154967 579714544 /nfs/dbraw/zinc/71/45/44/579714544.db2.gz JSBRSBKGKQFYCH-QGZVFWFLSA-N 1 2 341.411 1.765 20 30 EDEDLO C#CC[N@H+](CC)CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C ZINC000749154967 579714545 /nfs/dbraw/zinc/71/45/45/579714545.db2.gz JSBRSBKGKQFYCH-QGZVFWFLSA-N 1 2 341.411 1.765 20 30 EDEDLO CC(C)[N@H+]1CC(=NNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000754258124 579899668 /nfs/dbraw/zinc/89/96/68/579899668.db2.gz HEVOZMWBRWKYQK-NSHDSACASA-N 1 2 340.405 1.589 20 30 EDEDLO CC(C)[N@@H+]1CC(=NNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000754258124 579899669 /nfs/dbraw/zinc/89/96/69/579899669.db2.gz HEVOZMWBRWKYQK-NSHDSACASA-N 1 2 340.405 1.589 20 30 EDEDLO Fc1cc(F)cc(C=NNC(=S)NCC[NH+]2CCOCC2)c1 ZINC000755500452 579928208 /nfs/dbraw/zinc/92/82/08/579928208.db2.gz WBFFEEPEVGJXCD-UHFFFAOYSA-N 1 2 328.388 1.095 20 30 EDEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cc(C)nc(C)n1 ZINC000755648114 579931710 /nfs/dbraw/zinc/93/17/10/579931710.db2.gz IYDDZPHUNWZEAD-UHFFFAOYSA-N 1 2 329.408 1.418 20 30 EDEDLO COc1cc(C)[nH+]c(COC(=O)CCNC(=O)C2N=CC=CC2=O)c1 ZINC000757708940 579970204 /nfs/dbraw/zinc/97/02/04/579970204.db2.gz IIFJKFOTRHRQAA-WUKNDPDISA-N 1 2 345.355 1.358 20 30 EDEDLO CC[C@@H](C#N)OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000766393634 580165970 /nfs/dbraw/zinc/16/59/70/580165970.db2.gz GIULGFLZWJREHX-AWEZNQCLSA-N 1 2 330.388 1.356 20 30 EDEDLO Cc1cccc2[nH+]cc(CN=Nc3ccccc3S(N)(=O)=O)n21 ZINC000773113912 580327523 /nfs/dbraw/zinc/32/75/23/580327523.db2.gz ONDCSJVZQUZSCV-UHFFFAOYSA-N 1 2 329.385 1.736 20 30 EDEDLO C#CC[N@@H+](Cc1cc(Cl)cc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000775657676 580396458 /nfs/dbraw/zinc/39/64/58/580396458.db2.gz GDSLCRDMMHAJBB-AWEZNQCLSA-N 1 2 327.833 1.976 20 30 EDEDLO C#CC[N@H+](Cc1cc(Cl)cc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000775657676 580396459 /nfs/dbraw/zinc/39/64/59/580396459.db2.gz GDSLCRDMMHAJBB-AWEZNQCLSA-N 1 2 327.833 1.976 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000775996347 580405994 /nfs/dbraw/zinc/40/59/94/580405994.db2.gz FOXBVWQHPJGJKZ-SJORKVTESA-N 1 2 332.404 1.794 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2c(F)cccc2NC(C)C)CC1 ZINC000778614794 580468776 /nfs/dbraw/zinc/46/87/76/580468776.db2.gz WWOQWSBLFHDFID-UHFFFAOYSA-N 1 2 332.423 1.835 20 30 EDEDLO CC(=NNC1=[NH+]C[C@H](C)N1)c1cc(Br)c(F)cc1O ZINC000779798240 580497624 /nfs/dbraw/zinc/49/76/24/580497624.db2.gz NQIAABPTIZTLEL-LURJTMIESA-N 1 2 329.173 1.955 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000780091041 580512500 /nfs/dbraw/zinc/51/25/00/580512500.db2.gz DEVHNEKOHZQQSV-FUHWJXTLSA-N 1 2 331.416 1.887 20 30 EDEDLO COCCN(C)c1ccc(C=[NH+]NC(=S)N[C@H](C)C2CC2)cn1 ZINC000790167881 580763852 /nfs/dbraw/zinc/76/38/52/580763852.db2.gz XMEWXYWTPWAPND-GFCCVEGCSA-N 1 2 335.477 1.761 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](Cn2nccc2-c2ccncc2)CC1 ZINC000793671996 580850762 /nfs/dbraw/zinc/85/07/62/580850762.db2.gz FPKXBXSARBPXQP-UHFFFAOYSA-N 1 2 345.410 1.991 20 30 EDEDLO CO[C@H](C)C[N@H+](C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000795747442 580936456 /nfs/dbraw/zinc/93/64/56/580936456.db2.gz AQNWPMJKNWOWBX-SJKOYZFVSA-N 1 2 330.388 1.249 20 30 EDEDLO CO[C@H](C)C[N@@H+](C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000795747442 580936457 /nfs/dbraw/zinc/93/64/57/580936457.db2.gz AQNWPMJKNWOWBX-SJKOYZFVSA-N 1 2 330.388 1.249 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@H](c3cccnc3)CC2=O)C1=O ZINC000799143645 581018741 /nfs/dbraw/zinc/01/87/41/581018741.db2.gz NDMNHBBIIJDFDO-HZPDHXFCSA-N 1 2 328.416 1.074 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@H](c3cccnc3)CC2=O)C1=O ZINC000799143645 581018742 /nfs/dbraw/zinc/01/87/42/581018742.db2.gz NDMNHBBIIJDFDO-HZPDHXFCSA-N 1 2 328.416 1.074 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000801912827 581087834 /nfs/dbraw/zinc/08/78/34/581087834.db2.gz FRSMYBTZOWLSBB-INIZCTEOSA-N 1 2 342.443 1.122 20 30 EDEDLO COc1cccc(C(=O)N2CC[NH+](CCO[C@H](C)C#N)CC2)c1OC ZINC000801916118 581087868 /nfs/dbraw/zinc/08/78/68/581087868.db2.gz RRXLAPMHWWKBHO-CQSZACIVSA-N 1 2 347.415 1.390 20 30 EDEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2C)CC1 ZINC000892327663 590950359 /nfs/dbraw/zinc/95/03/59/590950359.db2.gz OVJTWVOFQGYECQ-INIZCTEOSA-N 1 2 344.459 1.530 20 30 EDEDLO Cc1c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cnn1CCC#N ZINC000889085651 590951272 /nfs/dbraw/zinc/95/12/72/590951272.db2.gz YCQISBYFHGABPC-INIZCTEOSA-N 1 2 345.447 1.432 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2OC(C)C)C1 ZINC000891605930 591146499 /nfs/dbraw/zinc/14/64/99/591146499.db2.gz CDUNXKMZBGSXGM-CQSZACIVSA-N 1 2 344.415 1.021 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccnc2OC(C)C)C1 ZINC000891605930 591146502 /nfs/dbraw/zinc/14/65/02/591146502.db2.gz CDUNXKMZBGSXGM-CQSZACIVSA-N 1 2 344.415 1.021 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(C#N)cc2CO)CC1 ZINC000892883018 591215776 /nfs/dbraw/zinc/21/57/76/591215776.db2.gz RUZVVVZEGXSXJG-HNNXBMFYSA-N 1 2 342.443 1.183 20 30 EDEDLO N#Cc1cc(F)cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000866933718 591332728 /nfs/dbraw/zinc/33/27/28/591332728.db2.gz MVZUMIQIUMRMBR-UHFFFAOYSA-N 1 2 334.376 1.989 20 30 EDEDLO O=C1[C@H]([NH2+]Cc2ncc(Br)cc2Cl)CCCN1O ZINC000895156868 591624353 /nfs/dbraw/zinc/62/43/53/591624353.db2.gz HYMUFNRQVZXVAS-SECBINFHSA-N 1 2 334.601 1.967 20 30 EDEDLO N#Cc1csc(CNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)n1 ZINC000897269463 591796263 /nfs/dbraw/zinc/79/62/63/591796263.db2.gz GMSYXUNZKTUDGI-UHFFFAOYSA-N 1 2 349.460 1.269 20 30 EDEDLO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)CC1 ZINC000900600110 592065233 /nfs/dbraw/zinc/06/52/33/592065233.db2.gz IFQNGXQTZDCHAM-KBOKABMXSA-N 1 2 330.428 1.649 20 30 EDEDLO COC(=O)[C@H](C)Oc1ccccc1C=NNCCCn1cc[nH+]c1 ZINC000901261376 592316143 /nfs/dbraw/zinc/31/61/43/592316143.db2.gz FZTKGWFUFPSNQG-AWEZNQCLSA-N 1 2 330.388 1.837 20 30 EDEDLO Cn1cc[nH+]c1NN=Cc1c(Br)nc2n1CCOC2 ZINC000905468280 592543720 /nfs/dbraw/zinc/54/37/20/592543720.db2.gz SZXRIAYIHVZZSC-UHFFFAOYSA-N 1 2 325.170 1.355 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1nc(C(F)F)cc1C(F)F ZINC000905496025 592553444 /nfs/dbraw/zinc/55/34/44/592553444.db2.gz OOBOUMDMBOJEJZ-ZDUSSCGKSA-N 1 2 335.305 1.718 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000907218025 592554873 /nfs/dbraw/zinc/55/48/73/592554873.db2.gz XJJLOGAJBURONE-MRXNPFEDSA-N 1 2 334.441 1.153 20 30 EDEDLO C#CCNC(=O)[C@@H](C)Nc1cc2n(n1)CC[N@H+](Cc1ccccc1)C2 ZINC000905812740 592644393 /nfs/dbraw/zinc/64/43/93/592644393.db2.gz JASXWSHYHXLLLL-OAHLLOKOSA-N 1 2 337.427 1.449 20 30 EDEDLO C#CCNC(=O)[C@@H](C)Nc1cc2n(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000905812740 592644396 /nfs/dbraw/zinc/64/43/96/592644396.db2.gz JASXWSHYHXLLLL-OAHLLOKOSA-N 1 2 337.427 1.449 20 30 EDEDLO C/C(=C/C(=O)N[C@@]1(C#N)CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000907450583 592661872 /nfs/dbraw/zinc/66/18/72/592661872.db2.gz KRGQXAXQYRYZOF-WNJRYGEDSA-N 1 2 339.439 1.832 20 30 EDEDLO Cc1cc(C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)cc(C)c1C#N ZINC000906594354 592860702 /nfs/dbraw/zinc/86/07/02/592860702.db2.gz YSNBOVVNJMFXJI-UHFFFAOYSA-N 1 2 337.427 1.867 20 30 EDEDLO C=CCNc1ncc(C(=O)N[C@@]2(c3[nH]cc(C)[nH+]3)CCOC2)s1 ZINC000911416003 593019468 /nfs/dbraw/zinc/01/94/68/593019468.db2.gz WNRCSNBQHUSOIW-HNNXBMFYSA-N 1 2 333.417 1.818 20 30 EDEDLO C/C(=C\C(=O)Nc1n[nH]c2cc(C#N)c(C)cc21)C[NH+]1CCOCC1 ZINC000911898006 593032620 /nfs/dbraw/zinc/03/26/20/593032620.db2.gz IYVQEZFWXLTZLU-KPKJPENVSA-N 1 2 339.399 1.960 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000912399646 593093045 /nfs/dbraw/zinc/09/30/45/593093045.db2.gz CQBQDGMKMKVEAN-QINSGFPZSA-N 1 2 336.432 1.068 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000730277286 593108394 /nfs/dbraw/zinc/10/83/94/593108394.db2.gz MZYSZTQZJWPOPL-DLBZAZTESA-N 1 2 341.411 1.840 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000730277286 593108395 /nfs/dbraw/zinc/10/83/95/593108395.db2.gz MZYSZTQZJWPOPL-DLBZAZTESA-N 1 2 341.411 1.840 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3C(=O)CC4(CCC4)C3=O)C2)nc1 ZINC000840074745 593113907 /nfs/dbraw/zinc/11/39/07/593113907.db2.gz GBHRQPPJKAWPIR-AWEZNQCLSA-N 1 2 340.383 1.293 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3C(=O)CC4(CCC4)C3=O)C2)nc1 ZINC000840074745 593113908 /nfs/dbraw/zinc/11/39/08/593113908.db2.gz GBHRQPPJKAWPIR-AWEZNQCLSA-N 1 2 340.383 1.293 20 30 EDEDLO C#CCCCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000806909268 593126176 /nfs/dbraw/zinc/12/61/76/593126176.db2.gz BUEXRKCXKNAKEA-UHFFFAOYSA-N 1 2 327.428 1.169 20 30 EDEDLO O=C(CCNC(=O)C1N=CC=CC1=O)Nc1ccn2cc[nH+]c2c1 ZINC000807980407 593213665 /nfs/dbraw/zinc/21/36/65/593213665.db2.gz TVPLNLNHCBHGML-FOCLMDBBSA-N 1 2 325.328 1.189 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2CCN(c3ccccc3)C2=O)C1=O ZINC000808183612 593235947 /nfs/dbraw/zinc/23/59/47/593235947.db2.gz KCJRXSZOVDGXQX-INIZCTEOSA-N 1 2 328.416 1.605 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2CCN(c3ccccc3)C2=O)C1=O ZINC000808183612 593235949 /nfs/dbraw/zinc/23/59/49/593235949.db2.gz KCJRXSZOVDGXQX-INIZCTEOSA-N 1 2 328.416 1.605 20 30 EDEDLO COCC#CC[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000808773161 593287081 /nfs/dbraw/zinc/28/70/81/593287081.db2.gz PJYPMEFHNGCZPS-INIZCTEOSA-N 1 2 337.464 1.263 20 30 EDEDLO C#CCC(CC#C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000806464409 593447339 /nfs/dbraw/zinc/44/73/39/593447339.db2.gz GENPKXZSBADJJK-HZPDHXFCSA-N 1 2 339.439 1.974 20 30 EDEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000805476846 593457626 /nfs/dbraw/zinc/45/76/26/593457626.db2.gz AYGAAIMQCNCMLN-LSDHHAIUSA-N 1 2 332.356 1.036 20 30 EDEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000805476846 593457627 /nfs/dbraw/zinc/45/76/27/593457627.db2.gz AYGAAIMQCNCMLN-LSDHHAIUSA-N 1 2 332.356 1.036 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C(=O)C(C)(C)[C@H]2[C@H]2CCCO2)C1=O ZINC000811771721 593480820 /nfs/dbraw/zinc/48/08/20/593480820.db2.gz OPAXJHUNDKOYNQ-RRFJBIMHSA-N 1 2 335.448 1.079 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C(=O)C(C)(C)[C@H]2[C@H]2CCCO2)C1=O ZINC000811771721 593480821 /nfs/dbraw/zinc/48/08/21/593480821.db2.gz OPAXJHUNDKOYNQ-RRFJBIMHSA-N 1 2 335.448 1.079 20 30 EDEDLO CCn1ncn(N=Cc2c[nH+]c3c(C)cc(Br)cn23)c1=O ZINC000814235511 593580075 /nfs/dbraw/zinc/58/00/75/593580075.db2.gz NUMADDMEKSUKEF-UHFFFAOYSA-N 1 2 349.192 1.666 20 30 EDEDLO CC(=NNC(=S)NCc1ccc2c(c1)OCO2)c1ccc(N)[nH+]c1 ZINC000814734579 593601926 /nfs/dbraw/zinc/60/19/26/593601926.db2.gz FPWAYNQGLUJELA-UHFFFAOYSA-N 1 2 343.412 1.781 20 30 EDEDLO CC(C)NS(=O)(=O)c1ccc(N=NC(C)c2ccc(N)[nH+]c2)nc1 ZINC000814800574 593603600 /nfs/dbraw/zinc/60/36/00/593603600.db2.gz CVLQGNROLLRGLK-UHFFFAOYSA-N 1 2 348.432 1.582 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)nc1 ZINC000815426405 593634035 /nfs/dbraw/zinc/63/40/35/593634035.db2.gz KTMDHLDVTJEDHC-UHFFFAOYSA-N 1 2 346.350 1.394 20 30 EDEDLO C=CC[N@@H+](CC(=O)NCCOCC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819740081 593766524 /nfs/dbraw/zinc/76/65/24/593766524.db2.gz NTHUBFDMSHVWIG-UHFFFAOYSA-N 1 2 344.419 1.007 20 30 EDEDLO C=CC[N@H+](CC(=O)NCCOCC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819740081 593766525 /nfs/dbraw/zinc/76/65/25/593766525.db2.gz NTHUBFDMSHVWIG-UHFFFAOYSA-N 1 2 344.419 1.007 20 30 EDEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1ccsc1=O ZINC000823914315 593886775 /nfs/dbraw/zinc/88/67/75/593886775.db2.gz FJHBGIRLYSWEOM-UHFFFAOYSA-N 1 2 328.401 1.736 20 30 EDEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1ccsc1=O ZINC000823914315 593886777 /nfs/dbraw/zinc/88/67/77/593886777.db2.gz FJHBGIRLYSWEOM-UHFFFAOYSA-N 1 2 328.401 1.736 20 30 EDEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824779390 594073390 /nfs/dbraw/zinc/07/33/90/594073390.db2.gz UZYAPHVNUYVYHQ-UHFFFAOYSA-N 1 2 325.376 1.431 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1nccc2occc21 ZINC000824900684 594093902 /nfs/dbraw/zinc/09/39/02/594093902.db2.gz DFCHCHOHVQKVJU-UHFFFAOYSA-N 1 2 328.372 1.516 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000823305605 594182907 /nfs/dbraw/zinc/18/29/07/594182907.db2.gz KSHBVZVPMUQQIH-UHFFFAOYSA-N 1 2 349.381 1.192 20 30 EDEDLO Cc1ccc(-c2nn[nH]n2)c(N2CCN(c3ccccc3C#N)CC2)[nH+]1 ZINC000826275334 594407495 /nfs/dbraw/zinc/40/74/95/594407495.db2.gz WVJZOBYSEYVPDO-UHFFFAOYSA-N 1 2 346.398 1.768 20 30 EDEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826589216 594533528 /nfs/dbraw/zinc/53/35/28/594533528.db2.gz GZVJUQUODIYQSF-FUHWJXTLSA-N 1 2 330.428 1.350 20 30 EDEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826589216 594533529 /nfs/dbraw/zinc/53/35/29/594533529.db2.gz GZVJUQUODIYQSF-FUHWJXTLSA-N 1 2 330.428 1.350 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)C1([NH+]3CCOCC3)CCC1)C2 ZINC000829497273 594625849 /nfs/dbraw/zinc/62/58/49/594625849.db2.gz FVSKCNUCIQYQJU-QGZVFWFLSA-N 1 2 325.412 1.397 20 30 EDEDLO CS(=O)(=O)c1ccc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)o1 ZINC000842035267 595006263 /nfs/dbraw/zinc/00/62/63/595006263.db2.gz KBLHTIUMJCJAGJ-UHFFFAOYSA-N 1 2 336.369 1.455 20 30 EDEDLO C#CC[C@H]1NC(=O)N(C[C@@H](c2cccs2)[NH+]2CCOCC2)C1=O ZINC000842236910 595048384 /nfs/dbraw/zinc/04/83/84/595048384.db2.gz XDZVUGKEYAWYOY-OLZOCXBDSA-N 1 2 333.413 1.065 20 30 EDEDLO C#CC[C@H]1NC(=O)N(C[C@H](c2cccs2)[NH+]2CCOCC2)C1=O ZINC000842236908 595048705 /nfs/dbraw/zinc/04/87/05/595048705.db2.gz XDZVUGKEYAWYOY-CHWSQXEVSA-N 1 2 333.413 1.065 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000843254239 595053220 /nfs/dbraw/zinc/05/32/20/595053220.db2.gz SRKPURPLCGYGRP-HZPDHXFCSA-N 1 2 342.443 1.388 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)NCC2(C#N)CCCC2)c(N(C)C)[nH+]1 ZINC000846055769 595131814 /nfs/dbraw/zinc/13/18/14/595131814.db2.gz XGSDMFWVZPVBSV-UHFFFAOYSA-N 1 2 329.404 1.595 20 30 EDEDLO C#CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)C(C)(C)CC#C)CC[N@H+]1C ZINC000846284860 595198455 /nfs/dbraw/zinc/19/84/55/595198455.db2.gz PUNRBAUGWXGYEU-INIZCTEOSA-N 1 2 345.487 1.344 20 30 EDEDLO C#CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)C(C)(C)CC#C)CC[N@@H+]1C ZINC000846284860 595198456 /nfs/dbraw/zinc/19/84/56/595198456.db2.gz PUNRBAUGWXGYEU-INIZCTEOSA-N 1 2 345.487 1.344 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000834777740 595209319 /nfs/dbraw/zinc/20/93/19/595209319.db2.gz HZOJFRAFGMWLCR-HNNXBMFYSA-N 1 2 330.432 1.417 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc2[nH]c1=S ZINC000834820995 595222814 /nfs/dbraw/zinc/22/28/14/595222814.db2.gz HWEGKPLSWSZOKS-ZJUUUORDSA-N 1 2 332.429 1.337 20 30 EDEDLO CCN1C[C@H](C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)OC1=O ZINC000846771707 595314895 /nfs/dbraw/zinc/31/48/95/595314895.db2.gz LLVOWWMMCZCFRX-KRWDZBQOSA-N 1 2 328.416 1.517 20 30 EDEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867356508 595341122 /nfs/dbraw/zinc/34/11/22/595341122.db2.gz AOBNGKFDMLXSKG-AWEZNQCLSA-N 1 2 325.409 1.802 20 30 EDEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867356508 595341123 /nfs/dbraw/zinc/34/11/23/595341123.db2.gz AOBNGKFDMLXSKG-AWEZNQCLSA-N 1 2 325.409 1.802 20 30 EDEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867356509 595341226 /nfs/dbraw/zinc/34/12/26/595341226.db2.gz AOBNGKFDMLXSKG-CQSZACIVSA-N 1 2 325.409 1.802 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867356509 595341229 /nfs/dbraw/zinc/34/12/29/595341229.db2.gz AOBNGKFDMLXSKG-CQSZACIVSA-N 1 2 325.409 1.802 20 30 EDEDLO CC(=O)N(c1nc(C=NNCCCn2cc[nH+]c2)cs1)C1CC1 ZINC000848418427 595375692 /nfs/dbraw/zinc/37/56/92/595375692.db2.gz MOWNWNACWZKLSZ-UHFFFAOYSA-N 1 2 332.433 1.869 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CN1C(=O)CC12CCCC2 ZINC000844696254 595376113 /nfs/dbraw/zinc/37/61/13/595376113.db2.gz GTQXQBFMTWZAMF-AWEZNQCLSA-N 1 2 340.431 1.361 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CN1C(=O)CC12CCCC2 ZINC000844696254 595376116 /nfs/dbraw/zinc/37/61/16/595376116.db2.gz GTQXQBFMTWZAMF-AWEZNQCLSA-N 1 2 340.431 1.361 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1 ZINC000847282133 595387219 /nfs/dbraw/zinc/38/72/19/595387219.db2.gz RQCRYQCZPMLXJQ-CVEARBPZSA-N 1 2 342.443 1.862 20 30 EDEDLO Cc1cc(NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(C#N)c[nH+]1 ZINC000848778839 595446113 /nfs/dbraw/zinc/44/61/13/595446113.db2.gz GRSZKLPWZNCSGO-LLVKDONJSA-N 1 2 326.322 1.896 20 30 EDEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000845226462 595464536 /nfs/dbraw/zinc/46/45/36/595464536.db2.gz REAYFNOLPXAGBH-HUUCEWRRSA-N 1 2 325.372 1.575 20 30 EDEDLO C[C@@H](CC(=O)OCC(=O)N(CC#N)c1ccccc1)n1cc[nH+]c1 ZINC000845279696 595473647 /nfs/dbraw/zinc/47/36/47/595473647.db2.gz XWBDZMRWALSJDS-AWEZNQCLSA-N 1 2 326.356 1.934 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\C2CCCCCC2)CC1 ZINC000845442656 595498212 /nfs/dbraw/zinc/49/82/12/595498212.db2.gz OGWVQIZUMOSZPJ-KHPPLWFESA-N 1 2 345.487 1.797 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\C2CCCCCC2)CC1 ZINC000845442656 595498213 /nfs/dbraw/zinc/49/82/13/595498213.db2.gz OGWVQIZUMOSZPJ-KHPPLWFESA-N 1 2 345.487 1.797 20 30 EDEDLO C#C[C@@H](NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)C1CCOCC1 ZINC000850689114 595594474 /nfs/dbraw/zinc/59/44/74/595594474.db2.gz KWHSVFJTWRMOCF-OAHLLOKOSA-N 1 2 329.400 1.490 20 30 EDEDLO C#CCCN(CCOC)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000850724525 595611922 /nfs/dbraw/zinc/61/19/22/595611922.db2.gz JNERVSSJQFCIOA-UHFFFAOYSA-N 1 2 342.399 1.319 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(c2nc3ncccc3cc2C#N)CC1 ZINC000853368942 595744313 /nfs/dbraw/zinc/74/43/13/595744313.db2.gz DOPAUTZZESWWQV-QHCPKHFHSA-N 1 2 329.429 1.002 20 30 EDEDLO Cc1cc(N2CC[NH+](CC[S@@](C)=O)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000853368918 595744337 /nfs/dbraw/zinc/74/43/37/595744337.db2.gz CTKPIFCOZVTIIB-HSZRJFAPSA-N 1 2 336.417 1.275 20 30 EDEDLO C#CCCCOc1cccnc1N1CC[NH+](CC[S@](C)=O)CC1 ZINC000853369313 595745063 /nfs/dbraw/zinc/74/50/63/595745063.db2.gz KHDWLDUZFOQAIQ-QHCPKHFHSA-N 1 2 335.473 1.374 20 30 EDEDLO C=CC[N@H+](Cn1nnc(-c2ccc(OC)c(OC)c2)n1)[C@@H](C)COC ZINC000853532273 595788502 /nfs/dbraw/zinc/78/85/02/595788502.db2.gz CDEZVFQZRNJCDZ-ZDUSSCGKSA-N 1 2 347.419 1.838 20 30 EDEDLO C=CC[N@@H+](Cn1nnc(-c2ccc(OC)c(OC)c2)n1)[C@@H](C)COC ZINC000853532273 595788503 /nfs/dbraw/zinc/78/85/03/595788503.db2.gz CDEZVFQZRNJCDZ-ZDUSSCGKSA-N 1 2 347.419 1.838 20 30 EDEDLO C=CC[N@@H+](CN1C(=O)N[C@](CC)(c2cnn(C)c2)C1=O)[C@H](C)COC ZINC000853535674 595789181 /nfs/dbraw/zinc/78/91/81/595789181.db2.gz ZDGDKFDZTHXGIA-CXAGYDPISA-N 1 2 349.435 1.058 20 30 EDEDLO C=CC[N@H+](CN1C(=O)N[C@](CC)(c2cnn(C)c2)C1=O)[C@H](C)COC ZINC000853535674 595789182 /nfs/dbraw/zinc/78/91/82/595789182.db2.gz ZDGDKFDZTHXGIA-CXAGYDPISA-N 1 2 349.435 1.058 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](CC)CNS(C)(=O)=O ZINC000853656307 595848505 /nfs/dbraw/zinc/84/85/05/595848505.db2.gz YLQKVXXOJSCMNK-ZDUSSCGKSA-N 1 2 325.434 1.614 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000858925164 595923676 /nfs/dbraw/zinc/92/36/76/595923676.db2.gz ZHOCAIFVRLNLMC-WMZOPIPTSA-N 1 2 342.443 1.337 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000858925164 595923680 /nfs/dbraw/zinc/92/36/80/595923680.db2.gz ZHOCAIFVRLNLMC-WMZOPIPTSA-N 1 2 342.443 1.337 20 30 EDEDLO CC1(C)OC[C@@H](C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)O1 ZINC000851821791 595935669 /nfs/dbraw/zinc/93/56/69/595935669.db2.gz AEHKOFFXZTZRSA-CYBMUJFWSA-N 1 2 332.404 1.697 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1c[nH+]ccc1OC ZINC000854089530 595972250 /nfs/dbraw/zinc/97/22/50/595972250.db2.gz NTAXQEYPMPSOEJ-UHFFFAOYSA-N 1 2 333.388 1.577 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000854114020 595979162 /nfs/dbraw/zinc/97/91/62/595979162.db2.gz OQOWIBOBOXNMSU-STQMWFEESA-N 1 2 332.404 1.875 20 30 EDEDLO N#Cc1cccc(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856602239 596030736 /nfs/dbraw/zinc/03/07/36/596030736.db2.gz GPNINLOGPPWWLU-DLBZAZTESA-N 1 2 334.379 1.549 20 30 EDEDLO CC1(C)CC[C@@H](CO)[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000856804368 596087891 /nfs/dbraw/zinc/08/78/91/596087891.db2.gz UZRTYVNKMVSCLW-AWEZNQCLSA-N 1 2 340.427 1.903 20 30 EDEDLO CC1(C)CC[C@@H](CO)[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000856804368 596087894 /nfs/dbraw/zinc/08/78/94/596087894.db2.gz UZRTYVNKMVSCLW-AWEZNQCLSA-N 1 2 340.427 1.903 20 30 EDEDLO N#CCOc1ccc(C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000859485658 596108583 /nfs/dbraw/zinc/10/85/83/596108583.db2.gz DRIVNCLRNCITPR-UHFFFAOYSA-N 1 2 335.429 1.199 20 30 EDEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)CC2 ZINC000862121310 596244417 /nfs/dbraw/zinc/24/44/17/596244417.db2.gz TXRTWMBKBBHURJ-IRXDYDNUSA-N 1 2 338.411 1.818 20 30 EDEDLO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC)C2)cc1 ZINC000862458624 596331378 /nfs/dbraw/zinc/33/13/78/596331378.db2.gz HBUZLWBASAJHCT-KRWDZBQOSA-N 1 2 331.416 1.219 20 30 EDEDLO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC)C2)cc1 ZINC000862458624 596331380 /nfs/dbraw/zinc/33/13/80/596331380.db2.gz HBUZLWBASAJHCT-KRWDZBQOSA-N 1 2 331.416 1.219 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000869190125 596440675 /nfs/dbraw/zinc/44/06/75/596440675.db2.gz YLUIBMFHXYXLIN-WBVHZDCISA-N 1 2 335.411 1.958 20 30 EDEDLO CN(C)c1cc(F)c(C=[NH+]NCC(C)(C)S(C)(=O)=O)cc1F ZINC000863108774 596502701 /nfs/dbraw/zinc/50/27/01/596502701.db2.gz QVIPJGDWILXMLM-UHFFFAOYSA-N 1 2 333.404 1.778 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1 ZINC000867711672 596509107 /nfs/dbraw/zinc/50/91/07/596509107.db2.gz ONDJUTAOKWQVQM-HNNXBMFYSA-N 1 2 325.409 1.412 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N[C@H]2CCC[N@H+](CCF)C2)c1 ZINC000867711672 596509109 /nfs/dbraw/zinc/50/91/09/596509109.db2.gz ONDJUTAOKWQVQM-HNNXBMFYSA-N 1 2 325.409 1.412 20 30 EDEDLO CC(C)(C)OC(=O)NCC(F)(F)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863555041 596616780 /nfs/dbraw/zinc/61/67/80/596616780.db2.gz MFHUTFLSFQYTAO-NSHDSACASA-N 1 2 333.379 1.791 20 30 EDEDLO C#CCOc1ccc(C[NH+]2CCN(CC(=O)N(CC)CC)CC2)cc1 ZINC000121925711 596626410 /nfs/dbraw/zinc/62/64/10/596626410.db2.gz LZMBIOHQOCOFBZ-UHFFFAOYSA-N 1 2 343.471 1.685 20 30 EDEDLO C#CCOc1ccc(CN2CC[NH+](CC(=O)N(CC)CC)CC2)cc1 ZINC000121925711 596626411 /nfs/dbraw/zinc/62/64/11/596626411.db2.gz LZMBIOHQOCOFBZ-UHFFFAOYSA-N 1 2 343.471 1.685 20 30 EDEDLO C#CCOCCC(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000122808788 596665705 /nfs/dbraw/zinc/66/57/05/596665705.db2.gz DHIQAFIWUHXZFK-UHFFFAOYSA-N 1 2 348.447 1.837 20 30 EDEDLO C=CCOc1ccccc1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870073922 596735647 /nfs/dbraw/zinc/73/56/47/596735647.db2.gz SKBFKNTYSDROGY-INIZCTEOSA-N 1 2 346.427 1.425 20 30 EDEDLO CCOc1ccc(O)c(/C=[NH+]/CCCN2CCCS2(=O)=O)c1 ZINC000864346983 596862154 /nfs/dbraw/zinc/86/21/54/596862154.db2.gz HXPLXEJFXZIOFE-FOWTUZBSSA-N 1 2 326.418 1.635 20 30 EDEDLO Cc1scc(C=NNC(=S)NCC[NH+]2CCOCC2)c1C ZINC000872329178 596881306 /nfs/dbraw/zinc/88/13/06/596881306.db2.gz LBVWNGUXIZYHIA-UHFFFAOYSA-N 1 2 326.491 1.495 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000872433702 596905339 /nfs/dbraw/zinc/90/53/39/596905339.db2.gz BWTIVCBZLQOABF-UHFFFAOYSA-N 1 2 344.440 1.921 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000872654354 597012180 /nfs/dbraw/zinc/01/21/80/597012180.db2.gz SGVJZCNJKMYGIZ-CABCVRRESA-N 1 2 334.441 1.745 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000876076533 597080788 /nfs/dbraw/zinc/08/07/88/597080788.db2.gz WAVVULCWPLMCTH-DLBZAZTESA-N 1 2 332.469 1.931 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000874467192 597093210 /nfs/dbraw/zinc/09/32/10/597093210.db2.gz KFAATACZOAHKIQ-UHFFFAOYSA-N 1 2 349.434 1.981 20 30 EDEDLO C[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C[C@@H](O)c1cccc(C#N)c1 ZINC000877609122 597541441 /nfs/dbraw/zinc/54/14/41/597541441.db2.gz HVIHWGLHVCKELB-ZWKOTPCHSA-N 1 2 341.415 1.494 20 30 EDEDLO C[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C[C@@H](O)c1cccc(C#N)c1 ZINC000877609122 597541442 /nfs/dbraw/zinc/54/14/42/597541442.db2.gz HVIHWGLHVCKELB-ZWKOTPCHSA-N 1 2 341.415 1.494 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)on1 ZINC000877747311 597552836 /nfs/dbraw/zinc/55/28/36/597552836.db2.gz ZUFFTHOYQPFGAD-UHFFFAOYSA-N 1 2 344.346 1.794 20 30 EDEDLO C=CC[N@H+](C[C@@H]1CCC2(CCOCC2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000878242350 597589345 /nfs/dbraw/zinc/58/93/45/597589345.db2.gz PKKGVUCZFKCKPY-HOTGVXAUSA-N 1 2 343.489 1.637 20 30 EDEDLO C=CC[N@@H+](C[C@@H]1CCC2(CCOCC2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000878242350 597589346 /nfs/dbraw/zinc/58/93/46/597589346.db2.gz PKKGVUCZFKCKPY-HOTGVXAUSA-N 1 2 343.489 1.637 20 30 EDEDLO N#Cc1cc(F)ccc1N1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000879590949 597648455 /nfs/dbraw/zinc/64/84/55/597648455.db2.gz OCNOYDVKYAXGEO-SFHVURJKSA-N 1 2 342.418 1.973 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879969443 597790097 /nfs/dbraw/zinc/79/00/97/597790097.db2.gz JOCACBFFXYLLNS-UHFFFAOYSA-N 1 2 349.456 1.308 20 30 EDEDLO C[C@H](C(=O)OC1CCN(CC#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000129368170 597834907 /nfs/dbraw/zinc/83/49/07/597834907.db2.gz BBTXCAKYHGPNEN-OAHLLOKOSA-N 1 2 327.428 1.964 20 30 EDEDLO C[C@H](C(=O)OC1CCN(CC#N)CC1)[N@H+]1CCc2ccccc2C1 ZINC000129368170 597834910 /nfs/dbraw/zinc/83/49/10/597834910.db2.gz BBTXCAKYHGPNEN-OAHLLOKOSA-N 1 2 327.428 1.964 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880190950 597870322 /nfs/dbraw/zinc/87/03/22/597870322.db2.gz NSCPJFIWNLAGKC-ROUUACIJSA-N 1 2 337.427 1.605 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880190950 597870325 /nfs/dbraw/zinc/87/03/25/597870325.db2.gz NSCPJFIWNLAGKC-ROUUACIJSA-N 1 2 337.427 1.605 20 30 EDEDLO CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000879336929 597891308 /nfs/dbraw/zinc/89/13/08/597891308.db2.gz ZTWXTWWVLGUIDX-CQSZACIVSA-N 1 2 344.415 1.628 20 30 EDEDLO CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000879336929 597891311 /nfs/dbraw/zinc/89/13/11/597891311.db2.gz ZTWXTWWVLGUIDX-CQSZACIVSA-N 1 2 344.415 1.628 20 30 EDEDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000879337194 597891951 /nfs/dbraw/zinc/89/19/51/597891951.db2.gz QDPBBYHVVYZTGL-HNNXBMFYSA-N 1 2 329.404 1.280 20 30 EDEDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000879337194 597891953 /nfs/dbraw/zinc/89/19/53/597891953.db2.gz QDPBBYHVVYZTGL-HNNXBMFYSA-N 1 2 329.404 1.280 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879363254 597899801 /nfs/dbraw/zinc/89/98/01/597899801.db2.gz RTQDPYOFEMZNTD-SWLSCSKDSA-N 1 2 337.807 1.215 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879363254 597899803 /nfs/dbraw/zinc/89/98/03/597899803.db2.gz RTQDPYOFEMZNTD-SWLSCSKDSA-N 1 2 337.807 1.215 20 30 EDEDLO CCOC(=O)[C@@]1(C)C[N@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000879428179 597914623 /nfs/dbraw/zinc/91/46/23/597914623.db2.gz PNFBNFPRBOWMAO-GOSISDBHSA-N 1 2 332.400 1.981 20 30 EDEDLO CCOC(=O)[C@@]1(C)C[N@@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000879428179 597914624 /nfs/dbraw/zinc/91/46/24/597914624.db2.gz PNFBNFPRBOWMAO-GOSISDBHSA-N 1 2 332.400 1.981 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21)C1(C#N)CCCCC1 ZINC000880530304 597956829 /nfs/dbraw/zinc/95/68/29/597956829.db2.gz FPXGIBKMUHDYLU-HOCLYGCPSA-N 1 2 332.448 1.272 20 30 EDEDLO CN(C(=O)C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21)C1(C#N)CCCCC1 ZINC000880530304 597956830 /nfs/dbraw/zinc/95/68/30/597956830.db2.gz FPXGIBKMUHDYLU-HOCLYGCPSA-N 1 2 332.448 1.272 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(F)cc1Cl ZINC000884129779 598003964 /nfs/dbraw/zinc/00/39/64/598003964.db2.gz PCVGMFJYDNWBDS-ZDUSSCGKSA-N 1 2 328.771 1.884 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCCn1ccc2ccccc21 ZINC000884179516 598016122 /nfs/dbraw/zinc/01/61/22/598016122.db2.gz RFGINJXTLIRYJY-HNNXBMFYSA-N 1 2 329.400 1.594 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000884409658 598096502 /nfs/dbraw/zinc/09/65/02/598096502.db2.gz OVNDKNRWVXLWIU-LSDHHAIUSA-N 1 2 336.363 1.172 20 30 EDEDLO C[C@H]1CO[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031858216 700000448 /nfs/dbraw/zinc/00/04/48/700000448.db2.gz RUFTZVYJQSWHCV-PXAZEXFGSA-N 1 2 331.391 1.670 20 30 EDEDLO C[C@H]1CO[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001031858276 700002277 /nfs/dbraw/zinc/00/22/77/700002277.db2.gz UNSOAELSDAQOQS-RDTXWAMCSA-N 1 2 330.403 1.650 20 30 EDEDLO C[C@H]1CO[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001031859177 700027104 /nfs/dbraw/zinc/02/71/04/700027104.db2.gz HNJLPHFREKQBEO-PXAZEXFGSA-N 1 2 331.391 1.670 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)[C@H]1C ZINC000993524382 696204107 /nfs/dbraw/zinc/20/41/07/696204107.db2.gz SUISSIIALJLWLE-ZYHUDNBSSA-N 1 2 349.822 1.999 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)[C@H]1C ZINC000993524382 696204108 /nfs/dbraw/zinc/20/41/08/696204108.db2.gz SUISSIIALJLWLE-ZYHUDNBSSA-N 1 2 349.822 1.999 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@H]1C ZINC000993526870 696206011 /nfs/dbraw/zinc/20/60/11/696206011.db2.gz IJUVLPBVGHDJEC-BXUZGUMPSA-N 1 2 348.834 1.911 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@H]1C ZINC000993526870 696206012 /nfs/dbraw/zinc/20/60/12/696206012.db2.gz IJUVLPBVGHDJEC-BXUZGUMPSA-N 1 2 348.834 1.911 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2(C)CC2)C1 ZINC000993623722 696288597 /nfs/dbraw/zinc/28/85/97/696288597.db2.gz LDVNGVNBGNSYRM-ZIAGYGMSSA-N 1 2 344.459 1.843 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2CCCC2)C1 ZINC000993631430 696292956 /nfs/dbraw/zinc/29/29/56/696292956.db2.gz MKARJNGOMJYGMF-BPLDGKMQSA-N 1 2 343.431 1.181 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C=C2CCC2)C1 ZINC000993633127 696293663 /nfs/dbraw/zinc/29/36/63/696293663.db2.gz SZCIHMYOQHXACF-NWANDNLSSA-N 1 2 341.415 1.101 20 30 EDEDLO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)sn1 ZINC001007154781 696306462 /nfs/dbraw/zinc/30/64/62/696306462.db2.gz ILPWLWMABSHPAZ-LBPRGKRZSA-N 1 2 345.428 1.746 20 30 EDEDLO COc1cc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)sn1 ZINC001007154781 696306463 /nfs/dbraw/zinc/30/64/63/696306463.db2.gz ILPWLWMABSHPAZ-LBPRGKRZSA-N 1 2 345.428 1.746 20 30 EDEDLO C=CCOc1ccc(CC(=O)NC2C[NH+](CCn3cccn3)C2)cc1 ZINC001031450068 697132051 /nfs/dbraw/zinc/13/20/51/697132051.db2.gz LHUMKMOJNVRVKT-UHFFFAOYSA-N 1 2 340.427 1.491 20 30 EDEDLO N#CCOc1cccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000918472758 697167587 /nfs/dbraw/zinc/16/75/87/697167587.db2.gz FCSMVEVETAMFLC-UHFFFAOYSA-N 1 2 341.371 1.321 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)C1=COCCO1 ZINC001031528147 697212318 /nfs/dbraw/zinc/21/23/18/697212318.db2.gz QVODLCUSHQKDLS-UHFFFAOYSA-N 1 2 346.814 1.628 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCCOC3)C2)ccc1F ZINC001031570605 697263062 /nfs/dbraw/zinc/26/30/62/697263062.db2.gz VGSRCQWIQLAQMF-HNNXBMFYSA-N 1 2 331.391 1.672 20 30 EDEDLO Cc1ocnc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031571761 697266023 /nfs/dbraw/zinc/26/60/23/697266023.db2.gz WZNFQUUBIPHYJS-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO Cc1ncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)[nH]1 ZINC001031581892 697277201 /nfs/dbraw/zinc/27/72/01/697277201.db2.gz LOYBVWMMDGIQKX-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO COc1ccc(C[NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)cn1 ZINC001031622490 697342861 /nfs/dbraw/zinc/34/28/61/697342861.db2.gz PCMINKWIHNSZCK-UHFFFAOYSA-N 1 2 325.372 1.152 20 30 EDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000352795150 697389642 /nfs/dbraw/zinc/38/96/42/697389642.db2.gz SHIMTBYFLBAAET-GOSISDBHSA-N 1 2 348.443 1.930 20 30 EDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000352795150 697389645 /nfs/dbraw/zinc/38/96/45/697389645.db2.gz SHIMTBYFLBAAET-GOSISDBHSA-N 1 2 348.443 1.930 20 30 EDEDLO C=C(Cl)CN1CC(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001031688426 697524851 /nfs/dbraw/zinc/52/48/51/697524851.db2.gz BAJKTUNJDJHFAW-OAHLLOKOSA-N 1 2 337.855 1.591 20 30 EDEDLO C=C(Cl)CN1CC(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031688426 697524853 /nfs/dbraw/zinc/52/48/53/697524853.db2.gz BAJKTUNJDJHFAW-OAHLLOKOSA-N 1 2 337.855 1.591 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001031735531 698266353 /nfs/dbraw/zinc/26/63/53/698266353.db2.gz NHAHHQWSBDPZJO-UHFFFAOYSA-N 1 2 347.382 1.086 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000943547485 698475238 /nfs/dbraw/zinc/47/52/38/698475238.db2.gz LCXXZUSTCARZJM-IMJJTQAJSA-N 1 2 346.431 1.041 20 30 EDEDLO Cc1cnoc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001032097374 698664660 /nfs/dbraw/zinc/66/46/60/698664660.db2.gz WQMDQCHEIDNGJE-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)n(CC)c3C)CC2)C1 ZINC000941476271 701551867 /nfs/dbraw/zinc/55/18/67/701551867.db2.gz VKYXLHGXGLCVQI-UHFFFAOYSA-N 1 2 328.460 1.200 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)cc(F)cc3C)CC2)C1 ZINC000941513711 701566301 /nfs/dbraw/zinc/56/63/01/701566301.db2.gz ORTFSIQYVMLJJJ-UHFFFAOYSA-N 1 2 343.446 1.908 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCN(C2C[NH+](Cc3oc(C)nc3C)C2)CC1 ZINC000941516314 701567313 /nfs/dbraw/zinc/56/73/13/701567313.db2.gz QQXLGNINBSXKJT-UHFFFAOYSA-N 1 2 346.475 1.832 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccc4[nH]ccc43)CC2)C1 ZINC000941578564 701587942 /nfs/dbraw/zinc/58/79/42/701587942.db2.gz MXEXFCRIPBLTDV-UHFFFAOYSA-N 1 2 336.439 1.633 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(Cl)cc(OC)c3)CC2)C1 ZINC000941613010 701596446 /nfs/dbraw/zinc/59/64/46/701596446.db2.gz BLGOOLSZPBUQCV-UHFFFAOYSA-N 1 2 347.846 1.424 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3scnc3C)CC2)C1 ZINC000941628598 701599750 /nfs/dbraw/zinc/59/97/50/701599750.db2.gz YUQOMLFCJSFEOM-UHFFFAOYSA-N 1 2 346.500 1.236 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cnsn3)C2)nc1 ZINC000939556469 699691385 /nfs/dbraw/zinc/69/13/85/699691385.db2.gz SAMXZMIDRVMFRB-ABAIWWIYSA-N 1 2 327.413 1.165 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000939559234 699694629 /nfs/dbraw/zinc/69/46/29/699694629.db2.gz CAQIWMVBRYPGTH-RBSFLKMASA-N 1 2 342.443 1.929 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000939559234 699694631 /nfs/dbraw/zinc/69/46/31/699694631.db2.gz CAQIWMVBRYPGTH-RBSFLKMASA-N 1 2 342.443 1.929 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nnc(C)o3)C2)cn1 ZINC000939567785 699710703 /nfs/dbraw/zinc/71/07/03/699710703.db2.gz NGQYGRUHODGXIT-XHDPSFHLSA-N 1 2 325.372 1.005 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccnc2n[nH]nc21 ZINC001031834346 699753975 /nfs/dbraw/zinc/75/39/75/699753975.db2.gz CAGQICSEJZHARU-UHFFFAOYSA-N 1 2 346.394 1.066 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3ccc(CC)cc3)CC2)C1 ZINC000941654234 701605846 /nfs/dbraw/zinc/60/58/46/701605846.db2.gz DJYLGJOBTLFKHT-UHFFFAOYSA-N 1 2 341.455 1.089 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)C1 ZINC000941649356 701611123 /nfs/dbraw/zinc/61/11/23/701611123.db2.gz UNASZCHQGQMQNJ-UHFFFAOYSA-N 1 2 349.837 1.944 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(CCC(N)=O)cc2)C1 ZINC001031966215 701615160 /nfs/dbraw/zinc/61/51/60/701615160.db2.gz ZJWIKJVZVRLLQW-UHFFFAOYSA-N 1 2 335.835 1.519 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000945439726 700292044 /nfs/dbraw/zinc/29/20/44/700292044.db2.gz SGTLIANWWFSHDP-KGLIPLIRSA-N 1 2 332.448 1.908 20 30 EDEDLO Cc1nn[nH]c1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031892015 700671074 /nfs/dbraw/zinc/67/10/74/700671074.db2.gz JBGGXSYKFJUTQK-UHFFFAOYSA-N 1 2 343.818 1.480 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N3CCCN(C(=O)[C@H](C)C#N)CC3)ccn12 ZINC000941138255 701197809 /nfs/dbraw/zinc/19/78/09/701197809.db2.gz RGPDRXUKMCTWJX-CYBMUJFWSA-N 1 2 339.399 1.477 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000946004123 701355173 /nfs/dbraw/zinc/35/51/73/701355173.db2.gz YMCADACERWXGIW-CVEARBPZSA-N 1 2 344.459 1.935 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccnc(CCC)c3)CC2)C1 ZINC000941444206 701535984 /nfs/dbraw/zinc/53/59/84/701535984.db2.gz JFMLAMKBYXKYOM-UHFFFAOYSA-N 1 2 340.471 1.499 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000941445088 701536497 /nfs/dbraw/zinc/53/64/97/701536497.db2.gz JAYRDYPJVPPHHO-OAHLLOKOSA-N 1 2 344.459 1.719 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC000944380630 701849922 /nfs/dbraw/zinc/84/99/22/701849922.db2.gz PRLBIIXDSYPQIB-CQSZACIVSA-N 1 2 343.431 1.343 20 30 EDEDLO CCc1noc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)n1 ZINC000941929348 702155849 /nfs/dbraw/zinc/15/58/49/702155849.db2.gz LIONOMXMYUUUMW-AAEUAGOBSA-N 1 2 342.403 1.472 20 30 EDEDLO CCc1noc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)n1 ZINC000941929348 702155853 /nfs/dbraw/zinc/15/58/53/702155853.db2.gz LIONOMXMYUUUMW-AAEUAGOBSA-N 1 2 342.403 1.472 20 30 EDEDLO CCn1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)n1 ZINC000941967483 702227561 /nfs/dbraw/zinc/22/75/61/702227561.db2.gz SCPZOJWSXPXDRI-SWLSCSKDSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)n1 ZINC000941967483 702227567 /nfs/dbraw/zinc/22/75/67/702227567.db2.gz SCPZOJWSXPXDRI-SWLSCSKDSA-N 1 2 341.419 1.138 20 30 EDEDLO Cc1ccnc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)n1 ZINC000941963669 702251029 /nfs/dbraw/zinc/25/10/29/702251029.db2.gz MAAGWRUKRYPOIE-LRDDRELGSA-N 1 2 338.415 1.625 20 30 EDEDLO Cc1ccnc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)n1 ZINC000941963669 702251032 /nfs/dbraw/zinc/25/10/32/702251032.db2.gz MAAGWRUKRYPOIE-LRDDRELGSA-N 1 2 338.415 1.625 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@H]([NH2+]Cc3nc(COC)no3)C(C)(C)C2)C1 ZINC000996258345 702667837 /nfs/dbraw/zinc/66/78/37/702667837.db2.gz XPIKBTNTZMIJOT-ZDUSSCGKSA-N 1 2 348.447 1.899 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CCC(=O)N2)s1 ZINC001032678934 706699542 /nfs/dbraw/zinc/69/95/42/706699542.db2.gz UROXJXQMLVOQQU-AVGNSLFASA-N 1 2 344.440 1.074 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CCC(=O)N2)s1 ZINC001032678934 706699543 /nfs/dbraw/zinc/69/95/43/706699543.db2.gz UROXJXQMLVOQQU-AVGNSLFASA-N 1 2 344.440 1.074 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3csnn3)C(C)(C)C2)nc1 ZINC000996530120 702845947 /nfs/dbraw/zinc/84/59/47/702845947.db2.gz ZXLWKMDFOBCWJH-HNNXBMFYSA-N 1 2 341.440 1.555 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)[C@@H](C)C1 ZINC000942601081 703116900 /nfs/dbraw/zinc/11/69/00/703116900.db2.gz ZLDJAAHSJLFUMJ-KWQFWETISA-N 1 2 345.216 1.898 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2F)[C@@H](C)C1 ZINC000942601081 703116901 /nfs/dbraw/zinc/11/69/01/703116901.db2.gz ZLDJAAHSJLFUMJ-KWQFWETISA-N 1 2 345.216 1.898 20 30 EDEDLO O=C(C[C@@H]1COC(=O)C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032355011 703204782 /nfs/dbraw/zinc/20/47/82/703204782.db2.gz COYHALKUPCSMAG-BZSNNMDCSA-N 1 2 338.407 1.276 20 30 EDEDLO O=C(C[C@@H]1COC(=O)C1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032355011 703204784 /nfs/dbraw/zinc/20/47/84/703204784.db2.gz COYHALKUPCSMAG-BZSNNMDCSA-N 1 2 338.407 1.276 20 30 EDEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CC[NH+](Cc2nncn2C)CC1 ZINC000997021926 703283249 /nfs/dbraw/zinc/28/32/49/703283249.db2.gz GZJCECLLNKWOOV-GFCCVEGCSA-N 1 2 341.419 1.045 20 30 EDEDLO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032394038 703391488 /nfs/dbraw/zinc/39/14/88/703391488.db2.gz XYSLSOAKQIOBQN-NJAFHUGGSA-N 1 2 343.471 1.332 20 30 EDEDLO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032394038 703391490 /nfs/dbraw/zinc/39/14/90/703391490.db2.gz XYSLSOAKQIOBQN-NJAFHUGGSA-N 1 2 343.471 1.332 20 30 EDEDLO CN(C(=O)c1ncc[nH]1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033064087 704069346 /nfs/dbraw/zinc/06/93/46/704069346.db2.gz AKDZAMKNZCEXRL-CQSZACIVSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1ncc[nH]1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033064087 704069348 /nfs/dbraw/zinc/06/93/48/704069348.db2.gz AKDZAMKNZCEXRL-CQSZACIVSA-N 1 2 327.363 1.767 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000946589781 704178807 /nfs/dbraw/zinc/17/88/07/704178807.db2.gz HXWZZEXDQVRFGC-UHFFFAOYSA-N 1 2 330.432 1.806 20 30 EDEDLO CN(Cc1ccccc1)C(=O)CNC(=O)C[NH2+]Cc1ccc(C#N)o1 ZINC000922764170 704322518 /nfs/dbraw/zinc/32/25/18/704322518.db2.gz LESVNGSABXQUAC-UHFFFAOYSA-N 1 2 340.383 1.016 20 30 EDEDLO COc1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)ncn1 ZINC001004436625 704411139 /nfs/dbraw/zinc/41/11/39/704411139.db2.gz GMJUMMAZHNOATH-HNNXBMFYSA-N 1 2 329.404 1.325 20 30 EDEDLO COc1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)ncn1 ZINC001004436625 704411140 /nfs/dbraw/zinc/41/11/40/704411140.db2.gz GMJUMMAZHNOATH-HNNXBMFYSA-N 1 2 329.404 1.325 20 30 EDEDLO COc1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)ncn1 ZINC001004436627 704411162 /nfs/dbraw/zinc/41/11/62/704411162.db2.gz GMJUMMAZHNOATH-OAHLLOKOSA-N 1 2 329.404 1.325 20 30 EDEDLO COc1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)ncn1 ZINC001004436627 704411163 /nfs/dbraw/zinc/41/11/63/704411163.db2.gz GMJUMMAZHNOATH-OAHLLOKOSA-N 1 2 329.404 1.325 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC001004458420 704452293 /nfs/dbraw/zinc/45/22/93/704452293.db2.gz MCAOKTJOGXIIFA-KRWDZBQOSA-N 1 2 327.432 1.669 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc3n(n2)CCC3)CC1 ZINC001004458420 704452295 /nfs/dbraw/zinc/45/22/95/704452295.db2.gz MCAOKTJOGXIIFA-KRWDZBQOSA-N 1 2 327.432 1.669 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC000944970630 704847765 /nfs/dbraw/zinc/84/77/65/704847765.db2.gz ONINNHASQIHGFD-SFHVURJKSA-N 1 2 344.459 1.936 20 30 EDEDLO C=C1CCC(C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC000999111942 706538422 /nfs/dbraw/zinc/53/84/22/706538422.db2.gz APEPTZRGQIDRHV-OAHLLOKOSA-N 1 2 342.443 1.903 20 30 EDEDLO COc1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)cn1 ZINC001032712613 706831932 /nfs/dbraw/zinc/83/19/32/706831932.db2.gz DVGYCGRIUBRGPH-IRXDYDNUSA-N 1 2 349.394 1.456 20 30 EDEDLO COc1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)cn1 ZINC001032712613 706831935 /nfs/dbraw/zinc/83/19/35/706831935.db2.gz DVGYCGRIUBRGPH-IRXDYDNUSA-N 1 2 349.394 1.456 20 30 EDEDLO C=CCC(CC=C)C(=O)NC[C@H]1COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001061609984 707115277 /nfs/dbraw/zinc/11/52/77/707115277.db2.gz CAHHGPDNCDGTDM-INIZCTEOSA-N 1 2 346.431 1.064 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2C[N@H+](Cc3nnn(C)n3)C[C@H]2CC1 ZINC000946707494 707176140 /nfs/dbraw/zinc/17/61/40/707176140.db2.gz UNANMEDXFXGIIK-GASCZTMLSA-N 1 2 346.479 1.483 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nnn(C)n3)C[C@H]2CC1 ZINC000946707494 707176143 /nfs/dbraw/zinc/17/61/43/707176143.db2.gz UNANMEDXFXGIIK-GASCZTMLSA-N 1 2 346.479 1.483 20 30 EDEDLO C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)CC[C@@H]2C1 ZINC000946710244 707182127 /nfs/dbraw/zinc/18/21/27/707182127.db2.gz KGSMFWQRCZGWQB-HDICACEKSA-N 1 2 349.438 1.889 20 30 EDEDLO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)CC[C@@H]2C1 ZINC000946710244 707182129 /nfs/dbraw/zinc/18/21/29/707182129.db2.gz KGSMFWQRCZGWQB-HDICACEKSA-N 1 2 349.438 1.889 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001033362906 707652473 /nfs/dbraw/zinc/65/24/73/707652473.db2.gz NRUQROYFJZTULY-STQMWFEESA-N 1 2 337.855 1.205 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001033362906 707652476 /nfs/dbraw/zinc/65/24/76/707652476.db2.gz NRUQROYFJZTULY-STQMWFEESA-N 1 2 337.855 1.205 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1nccnc1C ZINC001032753827 707827160 /nfs/dbraw/zinc/82/71/60/707827160.db2.gz NRNSYDXRXFCTQN-OALUTQOASA-N 1 2 346.434 1.794 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1nccnc1C ZINC001032753827 707827163 /nfs/dbraw/zinc/82/71/63/707827163.db2.gz NRNSYDXRXFCTQN-OALUTQOASA-N 1 2 346.434 1.794 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2nnc3c2CCCC3)C1 ZINC001033427397 707851463 /nfs/dbraw/zinc/85/14/63/707851463.db2.gz AVKGCYKREZAGKF-ZDUSSCGKSA-N 1 2 337.855 1.442 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2nnc3c2CCCC3)C1 ZINC001033427397 707851467 /nfs/dbraw/zinc/85/14/67/707851467.db2.gz AVKGCYKREZAGKF-ZDUSSCGKSA-N 1 2 337.855 1.442 20 30 EDEDLO Cc1cc(NC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c(C#N)cn1 ZINC001060955292 708046363 /nfs/dbraw/zinc/04/63/63/708046363.db2.gz QIGSEIPYQGJUPL-OAHLLOKOSA-N 1 2 338.415 1.231 20 30 EDEDLO C[C@@H](CC(=O)N1CC[C@@H](CNc2nccnc2C#N)C1)n1cc[nH+]c1 ZINC001061001312 708138486 /nfs/dbraw/zinc/13/84/86/708138486.db2.gz KHSPHWVTOXGUMJ-KBPBESRZSA-N 1 2 339.403 1.456 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CNc2ccncc2C#N)C1 ZINC001061003970 708152652 /nfs/dbraw/zinc/15/26/52/708152652.db2.gz ATCMDYSRGYIJTB-UONOGXRCSA-N 1 2 338.415 1.237 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CNc2ccncc2C#N)C1 ZINC001061003970 708152653 /nfs/dbraw/zinc/15/26/53/708152653.db2.gz ATCMDYSRGYIJTB-UONOGXRCSA-N 1 2 338.415 1.237 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnc(C)nc3)C2)nc1 ZINC001033595500 708299420 /nfs/dbraw/zinc/29/94/20/708299420.db2.gz CRJGGCMCQFCFHB-QGZVFWFLSA-N 1 2 335.411 1.508 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)nc1 ZINC001033595500 708299421 /nfs/dbraw/zinc/29/94/21/708299421.db2.gz CRJGGCMCQFCFHB-QGZVFWFLSA-N 1 2 335.411 1.508 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3snnc3C)C2)cn1 ZINC001033598217 708305625 /nfs/dbraw/zinc/30/56/25/708305625.db2.gz HHSLCKFBGIYVTF-HNNXBMFYSA-N 1 2 341.440 1.569 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3snnc3C)C2)cn1 ZINC001033598217 708305627 /nfs/dbraw/zinc/30/56/27/708305627.db2.gz HHSLCKFBGIYVTF-HNNXBMFYSA-N 1 2 341.440 1.569 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001033849755 708900580 /nfs/dbraw/zinc/90/05/80/708900580.db2.gz NFCDMVYPXMHMCJ-HUUCEWRRSA-N 1 2 341.883 1.919 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001033849755 708900582 /nfs/dbraw/zinc/90/05/82/708900582.db2.gz NFCDMVYPXMHMCJ-HUUCEWRRSA-N 1 2 341.883 1.919 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC001061096712 709041517 /nfs/dbraw/zinc/04/15/17/709041517.db2.gz WJLNKNWLTCGWSK-LSDHHAIUSA-N 1 2 338.415 1.769 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001061099286 709079183 /nfs/dbraw/zinc/07/91/83/709079183.db2.gz VBRMXSXQQHURRK-CHWSQXEVSA-N 1 2 339.403 1.462 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001033948607 709127411 /nfs/dbraw/zinc/12/74/11/709127411.db2.gz BKWPABYWQUOREG-KBPBESRZSA-N 1 2 327.856 1.721 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001033948607 709127415 /nfs/dbraw/zinc/12/74/15/709127415.db2.gz BKWPABYWQUOREG-KBPBESRZSA-N 1 2 327.856 1.721 20 30 EDEDLO CCN(C(=O)c1nonc1C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001034055466 709286288 /nfs/dbraw/zinc/28/62/88/709286288.db2.gz WNIABJQXHZRUIS-QGZVFWFLSA-N 1 2 338.411 1.966 20 30 EDEDLO CCN(C(=O)c1nonc1C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001034055466 709286289 /nfs/dbraw/zinc/28/62/89/709286289.db2.gz WNIABJQXHZRUIS-QGZVFWFLSA-N 1 2 338.411 1.966 20 30 EDEDLO N#Cc1nccnc1N[C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001061136750 709347225 /nfs/dbraw/zinc/34/72/25/709347225.db2.gz OHPDKCKPFALLJS-NEPJUHHUSA-N 1 2 325.376 1.153 20 30 EDEDLO C[C@H](c1nncn1C)[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034163812 709436639 /nfs/dbraw/zinc/43/66/39/709436639.db2.gz BHHFRUQDKCDZLO-TZMCWYRMSA-N 1 2 341.419 1.360 20 30 EDEDLO C[C@H](c1nncn1C)[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034163812 709436642 /nfs/dbraw/zinc/43/66/42/709436642.db2.gz BHHFRUQDKCDZLO-TZMCWYRMSA-N 1 2 341.419 1.360 20 30 EDEDLO Cc1noc([C@@H](C)[N@@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034164734 709438159 /nfs/dbraw/zinc/43/81/59/709438159.db2.gz RRMIDUJTRYHPRZ-RISCZKNCSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1noc([C@@H](C)[N@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034164734 709438160 /nfs/dbraw/zinc/43/81/60/709438160.db2.gz RRMIDUJTRYHPRZ-RISCZKNCSA-N 1 2 342.403 1.923 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034211449 709562158 /nfs/dbraw/zinc/56/21/58/709562158.db2.gz AGNQQDCMUPITSO-JQHSSLGASA-N 1 2 346.475 1.872 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034211449 709562161 /nfs/dbraw/zinc/56/21/61/709562161.db2.gz AGNQQDCMUPITSO-JQHSSLGASA-N 1 2 346.475 1.872 20 30 EDEDLO CN(c1ccc(C#N)cn1)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001061203344 709647264 /nfs/dbraw/zinc/64/72/64/709647264.db2.gz LLZHWROIZKWIBH-OAHLLOKOSA-N 1 2 338.415 1.736 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC001034302318 709739399 /nfs/dbraw/zinc/73/93/99/709739399.db2.gz XEQMXPSKUSFDJN-LLVKDONJSA-N 1 2 325.796 1.715 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC001034302318 709739402 /nfs/dbraw/zinc/73/94/02/709739402.db2.gz XEQMXPSKUSFDJN-LLVKDONJSA-N 1 2 325.796 1.715 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCCNC2=O)CC1 ZINC001003071645 709936917 /nfs/dbraw/zinc/93/69/17/709936917.db2.gz JVAPBEAXQXSWNO-LBPRGKRZSA-N 1 2 344.253 1.002 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ncccn2)C1 ZINC001034441580 710019611 /nfs/dbraw/zinc/01/96/11/710019611.db2.gz IDHWWYBQMJROIM-RYRKJORJSA-N 1 2 344.459 1.929 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ncccn2)C1 ZINC001034441580 710019616 /nfs/dbraw/zinc/01/96/16/710019616.db2.gz IDHWWYBQMJROIM-RYRKJORJSA-N 1 2 344.459 1.929 20 30 EDEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)c3nnc[nH]3)C2)ccc1F ZINC001034444201 710025669 /nfs/dbraw/zinc/02/56/69/710025669.db2.gz MSGDLIWCCJCOMW-CQSZACIVSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)c3nnc[nH]3)C2)ccc1F ZINC001034444201 710025670 /nfs/dbraw/zinc/02/56/70/710025670.db2.gz MSGDLIWCCJCOMW-CQSZACIVSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)Cc3nnc[nH]3)C2)s1 ZINC001034484005 710128607 /nfs/dbraw/zinc/12/86/07/710128607.db2.gz PSGSNPJLNHCRIZ-GFCCVEGCSA-N 1 2 344.444 1.451 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)Cc3nnc[nH]3)C2)s1 ZINC001034484005 710128609 /nfs/dbraw/zinc/12/86/09/710128609.db2.gz PSGSNPJLNHCRIZ-GFCCVEGCSA-N 1 2 344.444 1.451 20 30 EDEDLO C=C1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)CC1 ZINC001003739643 710520122 /nfs/dbraw/zinc/52/01/22/710520122.db2.gz BVFZRRPGPDTCLE-ZACQAIPSSA-N 1 2 342.443 1.878 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001032916837 710773237 /nfs/dbraw/zinc/77/32/37/710773237.db2.gz QNBBPNIZQOKQMX-OAHLLOKOSA-N 1 2 326.425 1.736 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001032916837 710773239 /nfs/dbraw/zinc/77/32/39/710773239.db2.gz QNBBPNIZQOKQMX-OAHLLOKOSA-N 1 2 326.425 1.736 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001061798291 710973978 /nfs/dbraw/zinc/97/39/78/710973978.db2.gz XPHKUCOMRQKAKM-HOCLYGCPSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001061798291 710973982 /nfs/dbraw/zinc/97/39/82/710973982.db2.gz XPHKUCOMRQKAKM-HOCLYGCPSA-N 1 2 348.447 1.288 20 30 EDEDLO N#Cc1cc(C(=O)NCc2ccc(C[NH2+]Cc3cnon3)cc2)c[nH]1 ZINC001034814743 711192235 /nfs/dbraw/zinc/19/22/35/711192235.db2.gz LEMMIYSRDFLJLB-UHFFFAOYSA-N 1 2 336.355 1.489 20 30 EDEDLO CO[C@@H](C)c1noc(C[NH2+]C[C@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC001034935230 711362205 /nfs/dbraw/zinc/36/22/05/711362205.db2.gz JORTWZYXYBJNPN-GXTWGEPZSA-N 1 2 332.404 1.271 20 30 EDEDLO N#Cc1cncc(N2CCC[C@H]2CNC(=O)c2cccc3[nH+]ccn32)n1 ZINC001061413705 711601959 /nfs/dbraw/zinc/60/19/59/711601959.db2.gz KLBASIGTPGTSLE-AWEZNQCLSA-N 1 2 347.382 1.395 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC001004474734 711851284 /nfs/dbraw/zinc/85/12/84/711851284.db2.gz DGRZSLKEQVTGFW-JKSUJKDBSA-N 1 2 347.463 1.004 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC001004474734 711851285 /nfs/dbraw/zinc/85/12/85/711851285.db2.gz DGRZSLKEQVTGFW-JKSUJKDBSA-N 1 2 347.463 1.004 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1 ZINC001004488253 711867380 /nfs/dbraw/zinc/86/73/80/711867380.db2.gz HCAQSYKZKQXOMM-MRXNPFEDSA-N 1 2 328.416 1.556 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1 ZINC001004488253 711867382 /nfs/dbraw/zinc/86/73/82/711867382.db2.gz HCAQSYKZKQXOMM-MRXNPFEDSA-N 1 2 328.416 1.556 20 30 EDEDLO CC[C@@H]1CCCN1C(=O)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004596209 712036306 /nfs/dbraw/zinc/03/63/06/712036306.db2.gz KTPXMDXAMQWBLL-IAGOWNOFSA-N 1 2 346.475 1.614 20 30 EDEDLO CC[C@@H]1CCCN1C(=O)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004596209 712036307 /nfs/dbraw/zinc/03/63/07/712036307.db2.gz KTPXMDXAMQWBLL-IAGOWNOFSA-N 1 2 346.475 1.614 20 30 EDEDLO CCC(=O)N1CC[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004604132 712053584 /nfs/dbraw/zinc/05/35/84/712053584.db2.gz UVSCYPMGKCIAAD-IRXDYDNUSA-N 1 2 346.475 1.471 20 30 EDEDLO CCC(=O)N1CC[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004604132 712053585 /nfs/dbraw/zinc/05/35/85/712053585.db2.gz UVSCYPMGKCIAAD-IRXDYDNUSA-N 1 2 346.475 1.471 20 30 EDEDLO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001033485242 712605932 /nfs/dbraw/zinc/60/59/32/712605932.db2.gz XFNWOBSQGUXRTR-LLVKDONJSA-N 1 2 345.369 1.946 20 30 EDEDLO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C)c2C(F)(F)F)C1 ZINC001033485242 712605933 /nfs/dbraw/zinc/60/59/33/712605933.db2.gz XFNWOBSQGUXRTR-LLVKDONJSA-N 1 2 345.369 1.946 20 30 EDEDLO CN(CCC#N)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000175724250 529868033 /nfs/dbraw/zinc/86/80/33/529868033.db2.gz PKLAGRFULJWLNW-UHFFFAOYSA-N 1 2 334.851 1.830 20 30 EDEDLO CCCC(=O)N1CSC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000328888521 539375347 /nfs/dbraw/zinc/37/53/47/539375347.db2.gz PQNNGXXUXNHZDQ-ZDUSSCGKSA-N 1 2 343.493 1.755 20 30 EDEDLO CCCC(=O)N1CSC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000328888521 539375351 /nfs/dbraw/zinc/37/53/51/539375351.db2.gz PQNNGXXUXNHZDQ-ZDUSSCGKSA-N 1 2 343.493 1.755 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000329166900 539418484 /nfs/dbraw/zinc/41/84/84/539418484.db2.gz ICLCRKKCTNPKLT-ZBFHGGJFSA-N 1 2 336.480 1.227 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000329312616 539428354 /nfs/dbraw/zinc/42/83/54/539428354.db2.gz APUAWDIREIKLKG-AWEZNQCLSA-N 1 2 347.463 1.774 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000329312616 539428358 /nfs/dbraw/zinc/42/83/58/539428358.db2.gz APUAWDIREIKLKG-AWEZNQCLSA-N 1 2 347.463 1.774 20 30 EDEDLO CCn1nc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(=O)c2ccccc21 ZINC000329593466 539445861 /nfs/dbraw/zinc/44/58/61/539445861.db2.gz ZQSQVBDRCLXPAW-GFCCVEGCSA-N 1 2 330.388 1.052 20 30 EDEDLO CCn1nc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(=O)c2ccccc21 ZINC000329593466 539445868 /nfs/dbraw/zinc/44/58/68/539445868.db2.gz ZQSQVBDRCLXPAW-GFCCVEGCSA-N 1 2 330.388 1.052 20 30 EDEDLO COCC1(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CCCCC1 ZINC000329727316 539460365 /nfs/dbraw/zinc/46/03/65/539460365.db2.gz ORURELVCRAMECP-GJZGRUSLSA-N 1 2 325.453 1.512 20 30 EDEDLO COCC1(CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCCCC1 ZINC000329727316 539460371 /nfs/dbraw/zinc/46/03/71/539460371.db2.gz ORURELVCRAMECP-GJZGRUSLSA-N 1 2 325.453 1.512 20 30 EDEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)cc1Cl ZINC000089769751 283160858 /nfs/dbraw/zinc/16/08/58/283160858.db2.gz FWCOPKUHWJLYHY-CQSZACIVSA-N 1 2 339.848 1.521 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCC[NH+]2CCC(C)CC2)cc1C#N ZINC000077497721 138252879 /nfs/dbraw/zinc/25/28/79/138252879.db2.gz XAOXGBQKDKKYCF-UHFFFAOYSA-N 1 2 334.445 1.842 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)NC2=NO[C@@H](C)C2)[C@@H]1c1c[nH+]cn1C ZINC000373590259 283310733 /nfs/dbraw/zinc/31/07/33/283310733.db2.gz AEKPNWLUFLITTG-HWWQOWPSSA-N 1 2 347.419 1.348 20 30 EDEDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000565585131 306387142 /nfs/dbraw/zinc/38/71/42/306387142.db2.gz LKZNLFHPXLLWNH-KJWYOANISA-N 1 2 327.428 1.887 20 30 EDEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000078255671 217035092 /nfs/dbraw/zinc/03/50/92/217035092.db2.gz QDAUNNRXPCRARE-INIZCTEOSA-N 1 2 331.460 1.894 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000078255671 217035094 /nfs/dbraw/zinc/03/50/94/217035094.db2.gz QDAUNNRXPCRARE-INIZCTEOSA-N 1 2 331.460 1.894 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000111231696 220117976 /nfs/dbraw/zinc/11/79/76/220117976.db2.gz SZJQPECHEVCPPL-OCCSQVGLSA-N 1 2 327.306 1.884 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000111231696 220117977 /nfs/dbraw/zinc/11/79/77/220117977.db2.gz SZJQPECHEVCPPL-OCCSQVGLSA-N 1 2 327.306 1.884 20 30 EDEDLO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000247416415 139148167 /nfs/dbraw/zinc/14/81/67/139148167.db2.gz DCXJPXWRJCQUIE-WCQYABFASA-N 1 2 332.404 1.553 20 30 EDEDLO CNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000247416415 139148168 /nfs/dbraw/zinc/14/81/68/139148168.db2.gz DCXJPXWRJCQUIE-WCQYABFASA-N 1 2 332.404 1.553 20 30 EDEDLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329147420 249825170 /nfs/dbraw/zinc/82/51/70/249825170.db2.gz XUBDPZUVHKMPAH-ZFWWWQNUSA-N 1 2 344.419 1.487 20 30 EDEDLO COc1cccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000568831935 306489944 /nfs/dbraw/zinc/48/99/44/306489944.db2.gz QDGJPORGVBBFDH-UHFFFAOYSA-N 1 2 340.383 1.004 20 30 EDEDLO COCCN1C(=O)N[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)CC[C@H]21 ZINC000345606704 250032164 /nfs/dbraw/zinc/03/21/64/250032164.db2.gz RMWMUTQUTHINNQ-IAGOWNOFSA-N 1 2 347.846 1.806 20 30 EDEDLO COCCN1C(=O)N[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CC[C@H]21 ZINC000345606704 250032166 /nfs/dbraw/zinc/03/21/66/250032166.db2.gz RMWMUTQUTHINNQ-IAGOWNOFSA-N 1 2 347.846 1.806 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000351828986 250066279 /nfs/dbraw/zinc/06/62/79/250066279.db2.gz KRQYPNAEUMYUPX-UHFFFAOYSA-N 1 2 341.415 1.469 20 30 EDEDLO C=CCOCC(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000346885853 250047669 /nfs/dbraw/zinc/04/76/69/250047669.db2.gz NOBFSGCWSGSQGC-UHFFFAOYSA-N 1 2 340.427 1.719 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](Cn3cncn3)C2)cc(OC)c1O ZINC000353648979 250082882 /nfs/dbraw/zinc/08/28/82/250082882.db2.gz WUFYSJSOQADQBE-MRXNPFEDSA-N 1 2 344.415 1.622 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](Cn3cncn3)C2)cc(OC)c1O ZINC000353648979 250082887 /nfs/dbraw/zinc/08/28/87/250082887.db2.gz WUFYSJSOQADQBE-MRXNPFEDSA-N 1 2 344.415 1.622 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2noc(-c3ccccc3)n2)CC1 ZINC000354882170 250100925 /nfs/dbraw/zinc/10/09/25/250100925.db2.gz BADPSDSSMWQRBZ-UHFFFAOYSA-N 1 2 327.388 1.161 20 30 EDEDLO C#CCC1(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)CCCCC1 ZINC000373766655 250244956 /nfs/dbraw/zinc/24/49/56/250244956.db2.gz VGTOWQJCFXUUIW-UHFFFAOYSA-N 1 2 333.476 1.583 20 30 EDEDLO C#CCC1(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)CCCCC1 ZINC000373766655 250244958 /nfs/dbraw/zinc/24/49/58/250244958.db2.gz VGTOWQJCFXUUIW-UHFFFAOYSA-N 1 2 333.476 1.583 20 30 EDEDLO N#CCC1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000372975022 250229212 /nfs/dbraw/zinc/22/92/12/250229212.db2.gz FUUBEJXTJVEZJR-QGZVFWFLSA-N 1 2 342.443 1.880 20 30 EDEDLO N#CCC1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000372975022 250229215 /nfs/dbraw/zinc/22/92/15/250229215.db2.gz FUUBEJXTJVEZJR-QGZVFWFLSA-N 1 2 342.443 1.880 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(C)C ZINC000374187469 250255715 /nfs/dbraw/zinc/25/57/15/250255715.db2.gz LUFHGMFCDYRICA-GOEBONIOSA-N 1 2 325.478 1.151 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377690470 250291099 /nfs/dbraw/zinc/29/10/99/250291099.db2.gz CLMGSQHVDAMUTR-RYQLBKOJSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377690470 250291102 /nfs/dbraw/zinc/29/11/02/250291102.db2.gz CLMGSQHVDAMUTR-RYQLBKOJSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000377690470 250291107 /nfs/dbraw/zinc/29/11/07/250291107.db2.gz CLMGSQHVDAMUTR-RYQLBKOJSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000377690470 250291110 /nfs/dbraw/zinc/29/11/10/250291110.db2.gz CLMGSQHVDAMUTR-RYQLBKOJSA-N 1 2 342.443 1.337 20 30 EDEDLO C#CCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000377290619 250287832 /nfs/dbraw/zinc/28/78/32/250287832.db2.gz UYVFQUIJCWYZKE-OAHLLOKOSA-N 1 2 333.413 1.461 20 30 EDEDLO CC(=O)N[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000420982106 251805931 /nfs/dbraw/zinc/80/59/31/251805931.db2.gz GTRYYRGATUJAQS-HNNXBMFYSA-N 1 2 338.411 1.948 20 30 EDEDLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000420982106 251805934 /nfs/dbraw/zinc/80/59/34/251805934.db2.gz GTRYYRGATUJAQS-HNNXBMFYSA-N 1 2 338.411 1.948 20 30 EDEDLO C=CCCn1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)nn1 ZINC000424665544 252259544 /nfs/dbraw/zinc/25/95/44/252259544.db2.gz NXWFWNZSHHEIJM-HNNXBMFYSA-N 1 2 333.436 1.181 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000426180799 252320662 /nfs/dbraw/zinc/32/06/62/252320662.db2.gz RZMFCJBPPJCAJC-LSDHHAIUSA-N 1 2 329.400 1.748 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000426180799 252320665 /nfs/dbraw/zinc/32/06/65/252320665.db2.gz RZMFCJBPPJCAJC-LSDHHAIUSA-N 1 2 329.400 1.748 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)C[C@@H]3CCCO3)CC2)cc1 ZINC000263687174 139352853 /nfs/dbraw/zinc/35/28/53/139352853.db2.gz KLWSLJMEWMZAKV-KRWDZBQOSA-N 1 2 349.456 1.185 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000153588734 533169644 /nfs/dbraw/zinc/16/96/44/533169644.db2.gz MYNUCWWUGJNLMF-CSLYMUCUSA-N 1 2 349.479 1.392 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000153588734 533169645 /nfs/dbraw/zinc/16/96/45/533169645.db2.gz MYNUCWWUGJNLMF-CSLYMUCUSA-N 1 2 349.479 1.392 20 30 EDEDLO CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000471906884 255016377 /nfs/dbraw/zinc/01/63/77/255016377.db2.gz LQULHLBXBPGTPR-MRXNPFEDSA-N 1 2 346.412 1.235 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3scnc3C)n2CC=C)CC1 ZINC000491381710 255124418 /nfs/dbraw/zinc/12/44/18/255124418.db2.gz GLUXWHWSUUUKLD-UHFFFAOYSA-N 1 2 328.445 1.651 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000491536950 255128918 /nfs/dbraw/zinc/12/89/18/255128918.db2.gz NETPVEBWXLKMGE-UHFFFAOYSA-N 1 2 337.763 1.404 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)CC1 ZINC000491545521 255130697 /nfs/dbraw/zinc/13/06/97/255130697.db2.gz QQQPOWWVDJITGF-UHFFFAOYSA-N 1 2 339.439 1.017 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)CC1 ZINC000491545521 255130698 /nfs/dbraw/zinc/13/06/98/255130698.db2.gz QQQPOWWVDJITGF-UHFFFAOYSA-N 1 2 339.439 1.017 20 30 EDEDLO C#CCN(CC#CC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000490699209 255100930 /nfs/dbraw/zinc/10/09/30/255100930.db2.gz PDZLXEBJKMVVAO-IBGZPJMESA-N 1 2 339.439 1.556 20 30 EDEDLO C#CCN(CC#CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000490699209 255100932 /nfs/dbraw/zinc/10/09/32/255100932.db2.gz PDZLXEBJKMVVAO-IBGZPJMESA-N 1 2 339.439 1.556 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000490938608 255110933 /nfs/dbraw/zinc/11/09/33/255110933.db2.gz YDOKNBMOWYOWBO-VXGBXAGGSA-N 1 2 330.363 1.973 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000491677600 255139471 /nfs/dbraw/zinc/13/94/71/255139471.db2.gz QWEJNVHSFIMWNW-INIZCTEOSA-N 1 2 330.428 1.980 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000491677600 255139472 /nfs/dbraw/zinc/13/94/72/255139472.db2.gz QWEJNVHSFIMWNW-INIZCTEOSA-N 1 2 330.428 1.980 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000491702037 255142998 /nfs/dbraw/zinc/14/29/98/255142998.db2.gz XNTFLGOVYDEZJM-HOTGVXAUSA-N 1 2 334.851 1.559 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1ccc(Cl)cc1 ZINC000491702037 255143000 /nfs/dbraw/zinc/14/30/00/255143000.db2.gz XNTFLGOVYDEZJM-HOTGVXAUSA-N 1 2 334.851 1.559 20 30 EDEDLO C#CCNC(=O)CC[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000491733562 255146442 /nfs/dbraw/zinc/14/64/42/255146442.db2.gz AKTIFJAETWKWQZ-UHFFFAOYSA-N 1 2 333.819 1.124 20 30 EDEDLO C#CCNC(=O)CC[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000491733562 255146443 /nfs/dbraw/zinc/14/64/43/255146443.db2.gz AKTIFJAETWKWQZ-UHFFFAOYSA-N 1 2 333.819 1.124 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C)[nH+]cc2C)n1 ZINC000491775303 255146845 /nfs/dbraw/zinc/14/68/45/255146845.db2.gz BCUXRXRQRILOLW-UHFFFAOYSA-N 1 2 341.415 1.631 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n1 ZINC000491622127 255132715 /nfs/dbraw/zinc/13/27/15/255132715.db2.gz HPVKGNGFGYDJFQ-AWEZNQCLSA-N 1 2 329.404 1.093 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n1 ZINC000491622127 255132716 /nfs/dbraw/zinc/13/27/16/255132716.db2.gz HPVKGNGFGYDJFQ-AWEZNQCLSA-N 1 2 329.404 1.093 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494230316 255242904 /nfs/dbraw/zinc/24/29/04/255242904.db2.gz JGDRGBQVXNPCDU-UHFFFAOYSA-N 1 2 332.379 1.276 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494230316 255242905 /nfs/dbraw/zinc/24/29/05/255242905.db2.gz JGDRGBQVXNPCDU-UHFFFAOYSA-N 1 2 332.379 1.276 20 30 EDEDLO CCC[N@H+](Cc1nc(CC(=O)NC)no1)Cc1ccc(C#N)cc1 ZINC000494466075 255251830 /nfs/dbraw/zinc/25/18/30/255251830.db2.gz YIISNKKBDLRMEG-UHFFFAOYSA-N 1 2 327.388 1.642 20 30 EDEDLO CCC[N@@H+](Cc1nc(CC(=O)NC)no1)Cc1ccc(C#N)cc1 ZINC000494466075 255251831 /nfs/dbraw/zinc/25/18/31/255251831.db2.gz YIISNKKBDLRMEG-UHFFFAOYSA-N 1 2 327.388 1.642 20 30 EDEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000496314255 255379679 /nfs/dbraw/zinc/37/96/79/255379679.db2.gz RLDSXCVOKMOPKP-MQIPJXDCSA-N 1 2 326.441 1.496 20 30 EDEDLO C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271298703 140273419 /nfs/dbraw/zinc/27/34/19/140273419.db2.gz QLHJWVHKACUUMP-QAPCUYQASA-N 1 2 342.443 1.953 20 30 EDEDLO COc1ccc(C[N@@H+]2CCO[C@@H](Cn3nc(C)nc3C)C2)cc1C#N ZINC000340148008 142282994 /nfs/dbraw/zinc/28/29/94/142282994.db2.gz YXLHGTXKBCGQBF-QGZVFWFLSA-N 1 2 341.415 1.676 20 30 EDEDLO COc1ccc(C[N@H+]2CCO[C@@H](Cn3nc(C)nc3C)C2)cc1C#N ZINC000340148008 142282995 /nfs/dbraw/zinc/28/29/95/142282995.db2.gz YXLHGTXKBCGQBF-QGZVFWFLSA-N 1 2 341.415 1.676 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)[C@H](C)Oc2ccc(C#N)cc2)CCO1 ZINC000347588644 143338121 /nfs/dbraw/zinc/33/81/21/143338121.db2.gz ANDSGFTZONHLRD-HOCLYGCPSA-N 1 2 331.416 1.553 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)[C@H](C)Oc2ccc(C#N)cc2)CCO1 ZINC000347588644 143338122 /nfs/dbraw/zinc/33/81/22/143338122.db2.gz ANDSGFTZONHLRD-HOCLYGCPSA-N 1 2 331.416 1.553 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)CSc2ccc(C#N)cc2)CCO1 ZINC000347625174 143342392 /nfs/dbraw/zinc/34/23/92/143342392.db2.gz IVDCENIFUJWCAO-HNNXBMFYSA-N 1 2 333.457 1.877 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)CSc2ccc(C#N)cc2)CCO1 ZINC000347625174 143342393 /nfs/dbraw/zinc/34/23/93/143342393.db2.gz IVDCENIFUJWCAO-HNNXBMFYSA-N 1 2 333.457 1.877 20 30 EDEDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355118041 150123842 /nfs/dbraw/zinc/12/38/42/150123842.db2.gz AKAXMKCEOZVDBY-KRWDZBQOSA-N 1 2 341.459 1.866 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355122756 150126128 /nfs/dbraw/zinc/12/61/28/150126128.db2.gz ILIAIORVUWMSPC-WBVHZDCISA-N 1 2 341.459 1.770 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000355271070 150193411 /nfs/dbraw/zinc/19/34/11/150193411.db2.gz YHHIKOPPVKCSRQ-XMMPIXPASA-N 1 2 340.452 1.883 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000355299746 150205357 /nfs/dbraw/zinc/20/53/57/150205357.db2.gz LLBXTDIZRZRKRL-UHFFFAOYSA-N 1 2 340.387 1.640 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(CC(=O)NCCO)cc3)n2c1 ZINC000355541459 150307750 /nfs/dbraw/zinc/30/77/50/150307750.db2.gz CCEOJRNIWCUAHP-UHFFFAOYSA-N 1 2 349.394 1.469 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000364046184 153132150 /nfs/dbraw/zinc/13/21/50/153132150.db2.gz BIFFHPOTPFVTOC-UHFFFAOYSA-N 1 2 340.387 1.912 20 30 EDEDLO Cn1ccnc1C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000364046184 153132152 /nfs/dbraw/zinc/13/21/52/153132152.db2.gz BIFFHPOTPFVTOC-UHFFFAOYSA-N 1 2 340.387 1.912 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000364782213 153332041 /nfs/dbraw/zinc/33/20/41/153332041.db2.gz ZFHKSHVWOWXWIA-PXAZEXFGSA-N 1 2 328.372 1.460 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000364782213 153332045 /nfs/dbraw/zinc/33/20/45/153332045.db2.gz ZFHKSHVWOWXWIA-PXAZEXFGSA-N 1 2 328.372 1.460 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CCN2CCC(c3c[nH]c[nH+]3)CC2)nc1 ZINC000367377328 154094540 /nfs/dbraw/zinc/09/45/40/154094540.db2.gz JGJKJIWDOYVSLZ-UHFFFAOYSA-N 1 2 345.428 1.330 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000367528895 154162344 /nfs/dbraw/zinc/16/23/44/154162344.db2.gz JQXKLQGARVIFPD-AWEZNQCLSA-N 1 2 337.470 1.370 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000369371546 155000951 /nfs/dbraw/zinc/00/09/51/155000951.db2.gz WQJSAUXOIARYPG-LBPRGKRZSA-N 1 2 331.401 1.255 20 30 EDEDLO CC1(C)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000373798841 157010518 /nfs/dbraw/zinc/01/05/18/157010518.db2.gz TURAQACRFPFTFH-GOSISDBHSA-N 1 2 329.400 1.767 20 30 EDEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000373798841 157010520 /nfs/dbraw/zinc/01/05/20/157010520.db2.gz TURAQACRFPFTFH-GOSISDBHSA-N 1 2 329.400 1.767 20 30 EDEDLO N#Cc1csc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)n1 ZINC000575400780 306669189 /nfs/dbraw/zinc/66/91/89/306669189.db2.gz WADKTNWKTVYFAM-LLVKDONJSA-N 1 2 335.410 1.339 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2c(nnc2-c2cnn(C)c2)C1 ZINC000378255259 158122746 /nfs/dbraw/zinc/12/27/46/158122746.db2.gz VSGGTBJQHXBGLQ-UHFFFAOYSA-N 1 2 349.398 1.575 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2c(nnc2-c2cnn(C)c2)C1 ZINC000378255259 158122749 /nfs/dbraw/zinc/12/27/49/158122749.db2.gz VSGGTBJQHXBGLQ-UHFFFAOYSA-N 1 2 349.398 1.575 20 30 EDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@H+]1C ZINC000408080432 158260459 /nfs/dbraw/zinc/26/04/59/158260459.db2.gz BSTKMEVUMAGNBV-MNOVXSKESA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@@H+]1C ZINC000408080432 158260461 /nfs/dbraw/zinc/26/04/61/158260461.db2.gz BSTKMEVUMAGNBV-MNOVXSKESA-N 1 2 327.837 1.925 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@]2(CCOC2)O1 ZINC000369707267 287187829 /nfs/dbraw/zinc/18/78/29/287187829.db2.gz RIJQKDHXWPNKAQ-CRAIPNDOSA-N 1 2 335.448 1.599 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@]2(CCOC2)O1 ZINC000369707267 287187830 /nfs/dbraw/zinc/18/78/30/287187830.db2.gz RIJQKDHXWPNKAQ-CRAIPNDOSA-N 1 2 335.448 1.599 20 30 EDEDLO Cc1cccc(S(=O)(=O)NCc2ccc[nH+]c2N(C)C)c1C#N ZINC000156479818 224648929 /nfs/dbraw/zinc/64/89/29/224648929.db2.gz PVBGRUZDQRHTRE-UHFFFAOYSA-N 1 2 330.413 1.806 20 30 EDEDLO C[C@]1(O)CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000124458568 222432622 /nfs/dbraw/zinc/43/26/22/222432622.db2.gz XEIARSIEWQFKKY-SFHVURJKSA-N 1 2 339.399 1.529 20 30 EDEDLO C[C@]1(O)CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000124458568 222432626 /nfs/dbraw/zinc/43/26/26/222432626.db2.gz XEIARSIEWQFKKY-SFHVURJKSA-N 1 2 339.399 1.529 20 30 EDEDLO CC[N@H+](Cc1nnc(C)o1)[C@H]1CN(c2cc(C)ncc2C#N)C[C@H]1O ZINC000425256924 267073204 /nfs/dbraw/zinc/07/32/04/267073204.db2.gz PRAWKPQERRLMPR-JKSUJKDBSA-N 1 2 342.403 1.025 20 30 EDEDLO CC[N@@H+](Cc1nnc(C)o1)[C@H]1CN(c2cc(C)ncc2C#N)C[C@H]1O ZINC000425256924 267073205 /nfs/dbraw/zinc/07/32/05/267073205.db2.gz PRAWKPQERRLMPR-JKSUJKDBSA-N 1 2 342.403 1.025 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1c(F)cc(C#N)cc1F ZINC000287547579 267089720 /nfs/dbraw/zinc/08/97/20/267089720.db2.gz WDQHUNVSGAOOEM-YPMHNXCESA-N 1 2 335.354 1.772 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000289011947 267157831 /nfs/dbraw/zinc/15/78/31/267157831.db2.gz AWYNDMUJNNTHLF-CQSZACIVSA-N 1 2 337.445 1.041 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2cncc(C#N)n2)CC1)C1CCCCC1 ZINC000420589368 267271821 /nfs/dbraw/zinc/27/18/21/267271821.db2.gz TYNUSFLHYZXNML-UHFFFAOYSA-N 1 2 342.447 1.261 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)C1 ZINC000412362942 267363038 /nfs/dbraw/zinc/36/30/38/267363038.db2.gz VMTPJIUJILILPE-ZBFHGGJFSA-N 1 2 343.427 1.663 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)C1 ZINC000412362942 267363039 /nfs/dbraw/zinc/36/30/39/267363039.db2.gz VMTPJIUJILILPE-ZBFHGGJFSA-N 1 2 343.427 1.663 20 30 EDEDLO N#Cc1ccc(NCC[NH+]2CCN(C(=O)C3CCCC3)CC2)cn1 ZINC000301497128 268154744 /nfs/dbraw/zinc/15/47/44/268154744.db2.gz CRMNKZVFOONNIR-UHFFFAOYSA-N 1 2 327.432 1.700 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCOC[C@@H](C3CCC3)C2)nc1 ZINC000292210023 268187971 /nfs/dbraw/zinc/18/79/71/268187971.db2.gz TXBLGSYINCHLKH-INIZCTEOSA-N 1 2 349.456 1.475 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCOC[C@@H](C3CCC3)C2)nc1 ZINC000292210023 268187972 /nfs/dbraw/zinc/18/79/72/268187972.db2.gz TXBLGSYINCHLKH-INIZCTEOSA-N 1 2 349.456 1.475 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000274807219 268210776 /nfs/dbraw/zinc/21/07/76/268210776.db2.gz TUZLDPFJJWJFDN-LBPRGKRZSA-N 1 2 341.864 1.973 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000274807219 268210778 /nfs/dbraw/zinc/21/07/78/268210778.db2.gz TUZLDPFJJWJFDN-LBPRGKRZSA-N 1 2 341.864 1.973 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4n[nH]nc4n3)CC2)cc1 ZINC000416125185 268221022 /nfs/dbraw/zinc/22/10/22/268221022.db2.gz PDOKELVXHPPXMM-UHFFFAOYSA-N 1 2 347.382 1.183 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)nc1 ZINC000429913901 268239696 /nfs/dbraw/zinc/23/96/96/268239696.db2.gz LFTXIOTXVMREIK-UHFFFAOYSA-N 1 2 338.371 1.295 20 30 EDEDLO N#Cc1cccc(NCC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000151295434 268269091 /nfs/dbraw/zinc/26/90/91/268269091.db2.gz BWCUXQDPCMHEDA-UHFFFAOYSA-N 1 2 335.411 1.710 20 30 EDEDLO N#Cc1ccnc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000282953598 268288133 /nfs/dbraw/zinc/28/81/33/268288133.db2.gz LCGOSRQUXCXSDU-UHFFFAOYSA-N 1 2 336.395 1.790 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](n3cccn3)C2)C1=O ZINC000292011960 268304181 /nfs/dbraw/zinc/30/41/81/268304181.db2.gz XUMFTTYYWTWIAS-KBPBESRZSA-N 1 2 327.413 1.869 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](n3cccn3)C2)C1=O ZINC000292011960 268304183 /nfs/dbraw/zinc/30/41/83/268304183.db2.gz XUMFTTYYWTWIAS-KBPBESRZSA-N 1 2 327.413 1.869 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](N3CCCC3=O)C2)C1=O ZINC000299733516 268304436 /nfs/dbraw/zinc/30/44/36/268304436.db2.gz YRVCOBOELOXHHS-UONOGXRCSA-N 1 2 344.440 1.422 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](N3CCCC3=O)C2)C1=O ZINC000299733516 268304438 /nfs/dbraw/zinc/30/44/38/268304438.db2.gz YRVCOBOELOXHHS-UONOGXRCSA-N 1 2 344.440 1.422 20 30 EDEDLO N#Cc1ncn(CC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000178725315 268333658 /nfs/dbraw/zinc/33/36/58/268333658.db2.gz OFNJEVVNIGKFJY-UHFFFAOYSA-N 1 2 344.806 1.148 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)[nH]3)c[nH+]2)C[C@H](C)O1 ZINC000158069660 287690367 /nfs/dbraw/zinc/69/03/67/287690367.db2.gz XLGMTZUDPSTBSB-STQMWFEESA-N 1 2 339.399 1.825 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000329279860 279311361 /nfs/dbraw/zinc/31/13/61/279311361.db2.gz DKMZBEYEFGHGRE-WBVHZDCISA-N 1 2 348.495 1.497 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069868419 303206887 /nfs/dbraw/zinc/20/68/87/303206887.db2.gz XLJQMSDEFJEPJB-HNNXBMFYSA-N 1 2 349.456 1.291 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2sccc2C#N)C1=O ZINC000544011957 306071910 /nfs/dbraw/zinc/07/19/10/306071910.db2.gz NZKWWWJSZUUBNT-GFCCVEGCSA-N 1 2 343.412 1.274 20 30 EDEDLO N#CCOc1ccc(/C=C/C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000493717081 447375040 /nfs/dbraw/zinc/37/50/40/447375040.db2.gz CRYFZPYZCNBDBK-BOTMBNHJSA-N 1 2 335.354 1.963 20 30 EDEDLO C=CCC[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(=O)OCC ZINC000456608789 447422921 /nfs/dbraw/zinc/42/29/21/447422921.db2.gz NYDFUQDRKXSIHR-AWEZNQCLSA-N 1 2 328.372 1.895 20 30 EDEDLO O=C(NCC#Cc1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000045432189 440985902 /nfs/dbraw/zinc/98/59/02/440985902.db2.gz LUAOQGYSOWLYTQ-UHFFFAOYSA-N 1 2 334.423 1.961 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3ccccc3c(C)c2C#N)CC1 ZINC000450231768 447437298 /nfs/dbraw/zinc/43/72/98/447437298.db2.gz JLTBTKYPMVDJJE-UHFFFAOYSA-N 1 2 349.438 1.839 20 30 EDEDLO COc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(F)c1 ZINC000070920640 441126813 /nfs/dbraw/zinc/12/68/13/441126813.db2.gz JKYGZIALQAKZPA-UHFFFAOYSA-N 1 2 335.379 1.522 20 30 EDEDLO Cn1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c2ccccc21 ZINC000070920480 441126633 /nfs/dbraw/zinc/12/66/33/441126633.db2.gz RSDNGQKPELPQPR-UHFFFAOYSA-N 1 2 340.427 1.866 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081098211 441233290 /nfs/dbraw/zinc/23/32/90/441233290.db2.gz AKUWTTQAMVKNHO-GJZGRUSLSA-N 1 2 330.494 1.699 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081098211 441233294 /nfs/dbraw/zinc/23/32/94/441233294.db2.gz AKUWTTQAMVKNHO-GJZGRUSLSA-N 1 2 330.494 1.699 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccn(-c2ccccc2)n1 ZINC000081158481 441237434 /nfs/dbraw/zinc/23/74/34/441237434.db2.gz SHEDQGSCFJTGEA-UHFFFAOYSA-N 1 2 339.443 1.920 20 30 EDEDLO CC(C)(CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000080846050 441202223 /nfs/dbraw/zinc/20/22/23/441202223.db2.gz PYNCBDOZOVZCID-DLBZAZTESA-N 1 2 327.428 1.889 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](CC(N)=O)C(C)C)c1 ZINC000016419452 441223600 /nfs/dbraw/zinc/22/36/00/441223600.db2.gz ZRWSNNHRTJKNQP-UHFFFAOYSA-N 1 2 330.432 1.746 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CC(N)=O)C(C)C)c1 ZINC000016419452 441223604 /nfs/dbraw/zinc/22/36/04/441223604.db2.gz ZRWSNNHRTJKNQP-UHFFFAOYSA-N 1 2 330.432 1.746 20 30 EDEDLO CCOC(=O)C1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000072813334 441262647 /nfs/dbraw/zinc/26/26/47/441262647.db2.gz JUPHZRFPIWPMIZ-UHFFFAOYSA-N 1 2 341.411 1.546 20 30 EDEDLO N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(CC(F)F)CC2)cc1 ZINC000061040622 441264749 /nfs/dbraw/zinc/26/47/49/441264749.db2.gz KHOLEOFIWXMANB-OAHLLOKOSA-N 1 2 339.386 1.375 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000081512556 441279218 /nfs/dbraw/zinc/27/92/18/441279218.db2.gz CSUBKBPLTNTMFS-UHFFFAOYSA-N 1 2 344.436 1.826 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCO)Cc2ccccc2)cc1 ZINC000081512556 441279220 /nfs/dbraw/zinc/27/92/20/441279220.db2.gz CSUBKBPLTNTMFS-UHFFFAOYSA-N 1 2 344.436 1.826 20 30 EDEDLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108277 441294380 /nfs/dbraw/zinc/29/43/80/441294380.db2.gz BFSVZDFYIUIIFG-INIZCTEOSA-N 1 2 349.438 1.780 20 30 EDEDLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000073615386 441332725 /nfs/dbraw/zinc/33/27/25/441332725.db2.gz NIVOCDPVODIWEQ-CZUORRHYSA-N 1 2 349.456 1.024 20 30 EDEDLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000073615386 441332728 /nfs/dbraw/zinc/33/27/28/441332728.db2.gz NIVOCDPVODIWEQ-CZUORRHYSA-N 1 2 349.456 1.024 20 30 EDEDLO COC(=O)C1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083127559 441350572 /nfs/dbraw/zinc/35/05/72/441350572.db2.gz YYJXCRBKOLTJIB-ZDUSSCGKSA-N 1 2 333.413 1.610 20 30 EDEDLO CC(=O)N(C)C1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083169401 441351941 /nfs/dbraw/zinc/35/19/41/441351941.db2.gz HTXVITVJDMDJSA-HNNXBMFYSA-N 1 2 346.456 1.668 20 30 EDEDLO CNC(=O)CC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083216858 441355735 /nfs/dbraw/zinc/35/57/35/441355735.db2.gz RRAGKYWLMYSGGR-AWEZNQCLSA-N 1 2 346.456 1.573 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(F)ccc2OCCOC)CC1 ZINC000085275969 441431736 /nfs/dbraw/zinc/43/17/36/441431736.db2.gz KBPPYYJOXSRKPO-UHFFFAOYSA-N 1 2 349.406 1.040 20 30 EDEDLO Cc1nn(C)c(C)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000029920371 441477721 /nfs/dbraw/zinc/47/77/21/441477721.db2.gz ZBZGBCMITCUBBX-UHFFFAOYSA-N 1 2 337.427 1.867 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075586959 441536579 /nfs/dbraw/zinc/53/65/79/441536579.db2.gz GDNNEFTVLGWFHH-CQSZACIVSA-N 1 2 332.404 1.576 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000030964821 441509074 /nfs/dbraw/zinc/50/90/74/441509074.db2.gz VICVWEFWZSNAKZ-AWEZNQCLSA-N 1 2 346.431 1.218 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000032830880 441574899 /nfs/dbraw/zinc/57/48/99/441574899.db2.gz UCCVBRRFROCWRO-HNAYVOBHSA-N 1 2 344.459 1.957 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000113253424 441593065 /nfs/dbraw/zinc/59/30/65/441593065.db2.gz GLQDMWICPQPLLR-UHFFFAOYSA-N 1 2 338.415 1.048 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(C(=O)c2ccoc2)CC1)C1CC1 ZINC000055060266 441615337 /nfs/dbraw/zinc/61/53/37/441615337.db2.gz HYBDDGYPXDQCNF-SFHVURJKSA-N 1 2 344.415 1.236 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(C(=O)c2ccoc2)CC1)C1CC1 ZINC000055060266 441615342 /nfs/dbraw/zinc/61/53/42/441615342.db2.gz HYBDDGYPXDQCNF-SFHVURJKSA-N 1 2 344.415 1.236 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000055060246 441615515 /nfs/dbraw/zinc/61/55/15/441615515.db2.gz OFLXTPBMENMJQS-GOSISDBHSA-N 1 2 346.431 1.482 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000055060246 441615517 /nfs/dbraw/zinc/61/55/17/441615517.db2.gz OFLXTPBMENMJQS-GOSISDBHSA-N 1 2 346.431 1.482 20 30 EDEDLO Cc1ccc([C@@H](CNC(=O)CSCC#N)[NH+]2CCOCC2)cc1 ZINC000055808898 441665988 /nfs/dbraw/zinc/66/59/88/441665988.db2.gz PQJSCHANHWHIBG-MRXNPFEDSA-N 1 2 333.457 1.741 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000056060249 441685006 /nfs/dbraw/zinc/68/50/06/441685006.db2.gz LOWDDIIUAUHSOP-UHFFFAOYSA-N 1 2 342.424 1.901 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858391 441691645 /nfs/dbraw/zinc/69/16/45/441691645.db2.gz KSCHPVGTUFIMRD-CZUORRHYSA-N 1 2 329.400 1.305 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858391 441691648 /nfs/dbraw/zinc/69/16/48/441691648.db2.gz KSCHPVGTUFIMRD-CZUORRHYSA-N 1 2 329.400 1.305 20 30 EDEDLO Cc1noc(CN2CC[NH+](CCOc3cccc(C#N)c3)CC2)n1 ZINC000076964882 441699619 /nfs/dbraw/zinc/69/96/19/441699619.db2.gz OJGZRZXSQXJHMB-UHFFFAOYSA-N 1 2 327.388 1.446 20 30 EDEDLO N#Cc1cccnc1N1CCCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068306173 441772886 /nfs/dbraw/zinc/77/28/86/441772886.db2.gz SZPRWGNYRAQLGX-UHFFFAOYSA-N 1 2 346.394 1.953 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000078444889 441932213 /nfs/dbraw/zinc/93/22/13/441932213.db2.gz FERLUOBWTQCLJQ-UHFFFAOYSA-N 1 2 336.505 1.994 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)NCC1CCCCC1 ZINC000096971281 442152658 /nfs/dbraw/zinc/15/26/58/442152658.db2.gz HLMMXLSFCPYQGY-UHFFFAOYSA-N 1 2 336.480 1.231 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170629162 442239071 /nfs/dbraw/zinc/23/90/71/442239071.db2.gz HMGHPDBGVYRFMC-AWEZNQCLSA-N 1 2 331.416 1.553 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000170629162 442239073 /nfs/dbraw/zinc/23/90/73/442239073.db2.gz HMGHPDBGVYRFMC-AWEZNQCLSA-N 1 2 331.416 1.553 20 30 EDEDLO CN(Cc1cccc(C#N)c1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171224784 442330116 /nfs/dbraw/zinc/33/01/16/442330116.db2.gz QYUNGWGHTBEVRX-UHFFFAOYSA-N 1 2 330.432 1.810 20 30 EDEDLO CN(Cc1cccc(C#N)c1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171224784 442330118 /nfs/dbraw/zinc/33/01/18/442330118.db2.gz QYUNGWGHTBEVRX-UHFFFAOYSA-N 1 2 330.432 1.810 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130838841 442358578 /nfs/dbraw/zinc/35/85/78/442358578.db2.gz JBWCJHSVUMPMAF-OAHLLOKOSA-N 1 2 347.422 1.366 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCNC(=O)[C@H]2CC)c(OC)c1 ZINC000156476398 442484728 /nfs/dbraw/zinc/48/47/28/442484728.db2.gz ZXZFUJUTAQHGNY-JKSUJKDBSA-N 1 2 348.443 1.374 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCNC(=O)[C@H]2CC)c(OC)c1 ZINC000156476398 442484730 /nfs/dbraw/zinc/48/47/30/442484730.db2.gz ZXZFUJUTAQHGNY-JKSUJKDBSA-N 1 2 348.443 1.374 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000192067188 442583031 /nfs/dbraw/zinc/58/30/31/442583031.db2.gz QITMJWFKBJQFHD-HNNXBMFYSA-N 1 2 344.434 1.826 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c(OC)c1 ZINC000186998473 442642961 /nfs/dbraw/zinc/64/29/61/442642961.db2.gz CSXYRGMFPYEKIJ-HOCLYGCPSA-N 1 2 348.443 1.326 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCN(C)C(=O)[C@@H]2C)c(OC)c1 ZINC000186998473 442642963 /nfs/dbraw/zinc/64/29/63/442642963.db2.gz CSXYRGMFPYEKIJ-HOCLYGCPSA-N 1 2 348.443 1.326 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000180719802 442652161 /nfs/dbraw/zinc/65/21/61/442652161.db2.gz VNZPMIATGHOLFM-ZWKOTPCHSA-N 1 2 349.438 1.855 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265665139 442870396 /nfs/dbraw/zinc/87/03/96/442870396.db2.gz UVKSZTUNSIQJLU-HOCLYGCPSA-N 1 2 328.416 1.484 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265665139 442870401 /nfs/dbraw/zinc/87/04/01/442870401.db2.gz UVKSZTUNSIQJLU-HOCLYGCPSA-N 1 2 328.416 1.484 20 30 EDEDLO C[C@@]([NH2+]CC(=O)NC1(C#N)CCCCC1)(C(N)=O)c1ccccc1 ZINC000195224662 442998410 /nfs/dbraw/zinc/99/84/10/442998410.db2.gz NDGULKAGEPOEAE-KRWDZBQOSA-N 1 2 328.416 1.319 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184068424 442987916 /nfs/dbraw/zinc/98/79/16/442987916.db2.gz BGNSLDAJWHPTAN-OAHLLOKOSA-N 1 2 347.463 1.420 20 30 EDEDLO COCCO[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000189732944 442999994 /nfs/dbraw/zinc/99/99/94/442999994.db2.gz GEJPIKBEVDSOOG-OAHLLOKOSA-N 1 2 338.429 1.069 20 30 EDEDLO COCCO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000189732944 442999996 /nfs/dbraw/zinc/99/99/96/442999996.db2.gz GEJPIKBEVDSOOG-OAHLLOKOSA-N 1 2 338.429 1.069 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000268521917 443019911 /nfs/dbraw/zinc/01/99/11/443019911.db2.gz VGLQGSOHBINACA-NWDGAFQWSA-N 1 2 330.363 1.973 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000266155378 443037104 /nfs/dbraw/zinc/03/71/04/443037104.db2.gz HTTGHJCZHJAVFJ-RVKKMQEKSA-N 1 2 343.427 1.505 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\c1ccc(Cl)nc1 ZINC000255139682 443087502 /nfs/dbraw/zinc/08/75/02/443087502.db2.gz JHYCRNXSAPZERN-HYXAFXHYSA-N 1 2 348.834 1.823 20 30 EDEDLO CCCN(CCC)C(=O)CO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000268640740 443061280 /nfs/dbraw/zinc/06/12/80/443061280.db2.gz NVAYBVJAXKPIAX-UHFFFAOYSA-N 1 2 337.420 1.989 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000184810638 443079983 /nfs/dbraw/zinc/07/99/83/443079983.db2.gz LFTKBKZFNNJFDC-DYVFJYSZSA-N 1 2 341.419 1.367 20 30 EDEDLO COCCNC(=O)C[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000266598195 443181522 /nfs/dbraw/zinc/18/15/22/443181522.db2.gz RTHIUYVBFYMJCH-UHFFFAOYSA-N 1 2 336.823 1.096 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000185624434 443229088 /nfs/dbraw/zinc/22/90/88/443229088.db2.gz GRVQJSWDFXMAHH-UHFFFAOYSA-N 1 2 346.412 1.824 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCc2nc([C@H](C)OC)no2)cc1OC ZINC000267004352 443311760 /nfs/dbraw/zinc/31/17/60/443311760.db2.gz IVPCTSHZUHMFJX-VIFPVBQESA-N 1 2 336.348 1.631 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC=C)CC1 ZINC000282577167 443380010 /nfs/dbraw/zinc/38/00/10/443380010.db2.gz KXIBHOXNJPQITI-UHFFFAOYSA-N 1 2 339.418 1.949 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000272519472 443348758 /nfs/dbraw/zinc/34/87/58/443348758.db2.gz JTYHCZGEKFIGLO-CHWSQXEVSA-N 1 2 341.371 1.317 20 30 EDEDLO C=CCn1c(C)nnc1N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000282483607 443351934 /nfs/dbraw/zinc/35/19/34/443351934.db2.gz CLJIHBOLRDNJFA-UHFFFAOYSA-N 1 2 346.479 1.343 20 30 EDEDLO N#Cc1cc(F)ccc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000264680163 443371035 /nfs/dbraw/zinc/37/10/35/443371035.db2.gz WTLRXZCCDBISLL-UHFFFAOYSA-N 1 2 330.407 1.832 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000278672892 443398435 /nfs/dbraw/zinc/39/84/35/443398435.db2.gz BNNQFKDAHWSLBF-UHFFFAOYSA-N 1 2 347.463 1.159 20 30 EDEDLO C[C@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccc(C#N)cc1 ZINC000267510622 443481344 /nfs/dbraw/zinc/48/13/44/443481344.db2.gz ZKKABIKHUSHUMQ-ZDUSSCGKSA-N 1 2 343.431 1.210 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@H]1O ZINC000270939220 443483776 /nfs/dbraw/zinc/48/37/76/443483776.db2.gz RFNQDFYTNNOAGK-OSAQELSMSA-N 1 2 340.383 1.214 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@H]1O ZINC000270939220 443483780 /nfs/dbraw/zinc/48/37/80/443483780.db2.gz RFNQDFYTNNOAGK-OSAQELSMSA-N 1 2 340.383 1.214 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H](O)c3cccnc3)CC2)cc1 ZINC000264850136 443452860 /nfs/dbraw/zinc/45/28/60/443452860.db2.gz MZBWEBRWSOYJJX-GOSISDBHSA-N 1 2 336.395 1.331 20 30 EDEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)nc3)CC2)n1 ZINC000267431412 443454867 /nfs/dbraw/zinc/45/48/67/443454867.db2.gz WUVOLLUSEHKOGC-CYBMUJFWSA-N 1 2 342.403 1.756 20 30 EDEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)nc3)CC2)n1 ZINC000267431412 443454869 /nfs/dbraw/zinc/45/48/69/443454869.db2.gz WUVOLLUSEHKOGC-CYBMUJFWSA-N 1 2 342.403 1.756 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000278831174 443455068 /nfs/dbraw/zinc/45/50/68/443455068.db2.gz VBNZXRLPIAVETQ-MRXNPFEDSA-N 1 2 334.427 1.943 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000278831174 443455071 /nfs/dbraw/zinc/45/50/71/443455071.db2.gz VBNZXRLPIAVETQ-MRXNPFEDSA-N 1 2 334.427 1.943 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C)CC1 ZINC000283052710 443507869 /nfs/dbraw/zinc/50/78/69/443507869.db2.gz FPUHMADOABPRSZ-UHFFFAOYSA-N 1 2 347.426 1.627 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CCC)CC(=O)OC(C)(C)C ZINC000273439594 443573125 /nfs/dbraw/zinc/57/31/25/443573125.db2.gz NBEWWQTWBIZFJZ-GFCCVEGCSA-N 1 2 327.425 1.440 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)OC(C)(C)C ZINC000273439594 443573128 /nfs/dbraw/zinc/57/31/28/443573128.db2.gz NBEWWQTWBIZFJZ-GFCCVEGCSA-N 1 2 327.425 1.440 20 30 EDEDLO COC(=O)C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000267717163 443552377 /nfs/dbraw/zinc/55/23/77/443552377.db2.gz AAELERZSDUZUHE-CQSZACIVSA-N 1 2 331.372 1.151 20 30 EDEDLO COC(=O)C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000267717163 443552382 /nfs/dbraw/zinc/55/23/82/443552382.db2.gz AAELERZSDUZUHE-CQSZACIVSA-N 1 2 331.372 1.151 20 30 EDEDLO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000283449430 443636715 /nfs/dbraw/zinc/63/67/15/443636715.db2.gz ZJIYXFZPIGXOOW-UHFFFAOYSA-N 1 2 342.447 1.685 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2cccc3cccnc32)CC1 ZINC000265420254 443637070 /nfs/dbraw/zinc/63/70/70/443637070.db2.gz PKTNVQGLUJTNLI-UHFFFAOYSA-N 1 2 343.452 1.706 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000279544287 443603939 /nfs/dbraw/zinc/60/39/39/443603939.db2.gz XCHVHBJTJVNHKO-MJGOQNOKSA-N 1 2 332.444 1.373 20 30 EDEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000283527542 443654117 /nfs/dbraw/zinc/65/41/17/443654117.db2.gz GMHCQPRWJRKNCC-OAHLLOKOSA-N 1 2 346.479 1.296 20 30 EDEDLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)c1 ZINC000286431723 443711254 /nfs/dbraw/zinc/71/12/54/443711254.db2.gz HEVIJLRULOSXHX-UHFFFAOYSA-N 1 2 345.424 1.966 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)cc1 ZINC000286518960 443715062 /nfs/dbraw/zinc/71/50/62/443715062.db2.gz NGCCLKALJZYHBC-YOEHRIQHSA-N 1 2 328.416 1.563 20 30 EDEDLO C=CCC[C@@H](NC(=O)C(=O)NCc1[nH+]ccn1C)c1ccccc1 ZINC000286674183 443720815 /nfs/dbraw/zinc/72/08/15/443720815.db2.gz MWVVMMJUOHHVSN-OAHLLOKOSA-N 1 2 326.400 1.860 20 30 EDEDLO Cc1nc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)ccc1C#N ZINC000276527094 443735360 /nfs/dbraw/zinc/73/53/60/443735360.db2.gz QVIURJRPFXJXRL-INIZCTEOSA-N 1 2 328.416 1.445 20 30 EDEDLO Cc1nc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)ccc1C#N ZINC000276527094 443735364 /nfs/dbraw/zinc/73/53/64/443735364.db2.gz QVIURJRPFXJXRL-INIZCTEOSA-N 1 2 328.416 1.445 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000280653098 443739761 /nfs/dbraw/zinc/73/97/61/443739761.db2.gz ZHCJHOFLMUWTAH-VQIMIIECSA-N 1 2 343.427 1.813 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000280653098 443739764 /nfs/dbraw/zinc/73/97/64/443739764.db2.gz ZHCJHOFLMUWTAH-VQIMIIECSA-N 1 2 343.427 1.813 20 30 EDEDLO CC(C)c1nn(C)cc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000280768184 443743881 /nfs/dbraw/zinc/74/38/81/443743881.db2.gz OBDURJQRVKFTMK-UHFFFAOYSA-N 1 2 348.451 1.623 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000292256653 443787653 /nfs/dbraw/zinc/78/76/53/443787653.db2.gz FDJIGLQHEPVTCZ-CABCVRRESA-N 1 2 346.431 1.213 20 30 EDEDLO CC(C)(C)n1ncnc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292282581 443788457 /nfs/dbraw/zinc/78/84/57/443788457.db2.gz SWSOQZVXQOAIHI-AWEZNQCLSA-N 1 2 326.404 1.953 20 30 EDEDLO CC(C)(C)n1ncnc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292282581 443788460 /nfs/dbraw/zinc/78/84/60/443788460.db2.gz SWSOQZVXQOAIHI-AWEZNQCLSA-N 1 2 326.404 1.953 20 30 EDEDLO C=CCCCNC(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000283868189 443749099 /nfs/dbraw/zinc/74/90/99/443749099.db2.gz CCYRTINNIPITLW-UHFFFAOYSA-N 1 2 330.432 1.771 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000283874745 443751448 /nfs/dbraw/zinc/75/14/48/443751448.db2.gz CDYJTQGMYGWUQY-UHFFFAOYSA-N 1 2 332.448 1.969 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C[C@H]21 ZINC000284169905 443768954 /nfs/dbraw/zinc/76/89/54/443768954.db2.gz RMIHJRRQUHAYTJ-SJORKVTESA-N 1 2 325.412 1.787 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C[C@H]21 ZINC000284169905 443768959 /nfs/dbraw/zinc/76/89/59/443768959.db2.gz RMIHJRRQUHAYTJ-SJORKVTESA-N 1 2 325.412 1.787 20 30 EDEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000298460289 443774070 /nfs/dbraw/zinc/77/40/70/443774070.db2.gz WIRHJHSJHNJOJG-UHFFFAOYSA-N 1 2 326.400 1.593 20 30 EDEDLO C#CCSCCNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000276769977 443820677 /nfs/dbraw/zinc/82/06/77/443820677.db2.gz UATOUPVHTLBXLK-AWEZNQCLSA-N 1 2 348.472 1.677 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)C1=O ZINC000281153497 443832439 /nfs/dbraw/zinc/83/24/39/443832439.db2.gz BLVHBMJYECRSBW-QGZVFWFLSA-N 1 2 340.427 1.753 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)C(C)C ZINC000281153871 443832851 /nfs/dbraw/zinc/83/28/51/443832851.db2.gz WFXOXAWLRJCCBX-KRWDZBQOSA-N 1 2 331.464 1.522 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N2CCc3ccccc32)C1=O ZINC000281323671 443879894 /nfs/dbraw/zinc/87/98/94/443879894.db2.gz LLQFPSJIJRHHLL-RHSMWYFYSA-N 1 2 327.428 1.683 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N2CCc3ccccc32)C1=O ZINC000281323671 443879898 /nfs/dbraw/zinc/87/98/98/443879898.db2.gz LLQFPSJIJRHHLL-RHSMWYFYSA-N 1 2 327.428 1.683 20 30 EDEDLO C=CC[C@H](CC)NC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000281398850 443900531 /nfs/dbraw/zinc/90/05/31/443900531.db2.gz PMZLYXZVSGCRLR-ZDUSSCGKSA-N 1 2 343.435 1.550 20 30 EDEDLO C=CC[N@@H+](C[C@H](O)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000292856273 443861571 /nfs/dbraw/zinc/86/15/71/443861571.db2.gz QZTXXOQMEHFXJQ-HZPDHXFCSA-N 1 2 327.421 1.404 20 30 EDEDLO C=CC[N@H+](C[C@H](O)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000292856273 443861576 /nfs/dbraw/zinc/86/15/76/443861576.db2.gz QZTXXOQMEHFXJQ-HZPDHXFCSA-N 1 2 327.421 1.404 20 30 EDEDLO CN(C1CC[NH+](Cc2ccc(C#N)cc2F)CC1)S(C)(=O)=O ZINC000299312826 444015338 /nfs/dbraw/zinc/01/53/38/444015338.db2.gz DOHSMYJEMINROT-UHFFFAOYSA-N 1 2 325.409 1.553 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000554596537 320956016 /nfs/dbraw/zinc/95/60/16/320956016.db2.gz TUHUOEKBGXCUTF-MRXNPFEDSA-N 1 2 337.383 1.146 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CSCc1ccncc1 ZINC000299517338 444069203 /nfs/dbraw/zinc/06/92/03/444069203.db2.gz KNKHIOMMKZEPNE-UHFFFAOYSA-N 1 2 348.472 1.389 20 30 EDEDLO N#Cc1ccncc1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000557889591 321008646 /nfs/dbraw/zinc/00/86/46/321008646.db2.gz IFTDMBAYPMJIII-UHFFFAOYSA-N 1 2 335.411 1.505 20 30 EDEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000564409338 321129634 /nfs/dbraw/zinc/12/96/34/321129634.db2.gz HAVSSWIAGUNNKZ-UHFFFAOYSA-N 1 2 342.424 1.458 20 30 EDEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000564409338 321129636 /nfs/dbraw/zinc/12/96/36/321129636.db2.gz HAVSSWIAGUNNKZ-UHFFFAOYSA-N 1 2 342.424 1.458 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC(C3OCCO3)CC2)c(C#N)c1C ZINC000299619196 444097154 /nfs/dbraw/zinc/09/71/54/444097154.db2.gz JCISLLDEAARKDC-UHFFFAOYSA-N 1 2 333.388 1.792 20 30 EDEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000294362464 444113596 /nfs/dbraw/zinc/11/35/96/444113596.db2.gz ZZAAYABNOZDNIG-DZGCQCFKSA-N 1 2 333.457 1.987 20 30 EDEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000294362464 444113598 /nfs/dbraw/zinc/11/35/98/444113598.db2.gz ZZAAYABNOZDNIG-DZGCQCFKSA-N 1 2 333.457 1.987 20 30 EDEDLO C=CCC[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000285862156 444132843 /nfs/dbraw/zinc/13/28/43/444132843.db2.gz HUIUDACAYZTYAA-IAGOWNOFSA-N 1 2 345.443 1.257 20 30 EDEDLO C=CCC[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000285862156 444132844 /nfs/dbraw/zinc/13/28/44/444132844.db2.gz HUIUDACAYZTYAA-IAGOWNOFSA-N 1 2 345.443 1.257 20 30 EDEDLO Cc1nsc(N2CC[NH+](C[C@@](C)(O)C(F)(F)F)CC2)c1C#N ZINC000289421094 444137673 /nfs/dbraw/zinc/13/76/73/444137673.db2.gz HYCPSXHXHQAKAR-GFCCVEGCSA-N 1 2 334.367 1.759 20 30 EDEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000301057053 444141100 /nfs/dbraw/zinc/14/11/00/444141100.db2.gz AKZBBGBQLLDLCQ-RDJZCZTQSA-N 1 2 341.459 1.770 20 30 EDEDLO CO/N=C/C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000289505044 444160742 /nfs/dbraw/zinc/16/07/42/444160742.db2.gz DTZNJKPVZTYUJR-WOJGMQOQSA-N 1 2 329.404 1.228 20 30 EDEDLO CO/N=C/C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000289505044 444160744 /nfs/dbraw/zinc/16/07/44/444160744.db2.gz DTZNJKPVZTYUJR-WOJGMQOQSA-N 1 2 329.404 1.228 20 30 EDEDLO N#Cc1cc(NCC[NH+]2CCOCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301359748 444166468 /nfs/dbraw/zinc/16/64/68/444166468.db2.gz PUBRTOKNTPGQFE-UHFFFAOYSA-N 1 2 327.344 1.759 20 30 EDEDLO COc1nccnc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000295415316 444183177 /nfs/dbraw/zinc/18/31/77/444183177.db2.gz NKVXEAZFBORBPI-OAHLLOKOSA-N 1 2 337.383 1.642 20 30 EDEDLO C#CCOc1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000296870982 444259386 /nfs/dbraw/zinc/25/93/86/444259386.db2.gz FSPXIWDKWYSHRZ-LJQANCHMSA-N 1 2 342.439 1.958 20 30 EDEDLO C#CCOc1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000296870982 444259388 /nfs/dbraw/zinc/25/93/88/444259388.db2.gz FSPXIWDKWYSHRZ-LJQANCHMSA-N 1 2 342.439 1.958 20 30 EDEDLO C#CCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000297675905 444317191 /nfs/dbraw/zinc/31/71/91/444317191.db2.gz CZUQKTNTVSZUOU-UHFFFAOYSA-N 1 2 347.846 1.466 20 30 EDEDLO C#CCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000297675905 444317192 /nfs/dbraw/zinc/31/71/92/444317192.db2.gz CZUQKTNTVSZUOU-UHFFFAOYSA-N 1 2 347.846 1.466 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCN(C=O)CC2)cc1 ZINC000297334790 444282938 /nfs/dbraw/zinc/28/29/38/444282938.db2.gz DCDFKHPLIGMESA-KRWDZBQOSA-N 1 2 342.443 1.794 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCN(C=O)CC2)cc1 ZINC000297334790 444282939 /nfs/dbraw/zinc/28/29/39/444282939.db2.gz DCDFKHPLIGMESA-KRWDZBQOSA-N 1 2 342.443 1.794 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(C)C ZINC000297533040 444297632 /nfs/dbraw/zinc/29/76/32/444297632.db2.gz ANSIJKLSJRLVTN-KKUMJFAQSA-N 1 2 335.427 1.290 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297838608 444340354 /nfs/dbraw/zinc/34/03/54/444340354.db2.gz LQTNVFVZAAUSEN-UHFFFAOYSA-N 1 2 344.459 1.935 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000339986985 444348812 /nfs/dbraw/zinc/34/88/12/444348812.db2.gz CYELQTCJHVFCDL-INIZCTEOSA-N 1 2 339.480 1.274 20 30 EDEDLO CCN1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330991321 444348929 /nfs/dbraw/zinc/34/89/29/444348929.db2.gz MXFGQXZXBWGLDD-RKVPGOIHSA-N 1 2 346.479 1.531 20 30 EDEDLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCO1 ZINC000328792655 444354764 /nfs/dbraw/zinc/35/47/64/444354764.db2.gz AIYFESAXMKSWBL-MCIONIFRSA-N 1 2 332.466 1.265 20 30 EDEDLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCO1 ZINC000328792655 444354767 /nfs/dbraw/zinc/35/47/67/444354767.db2.gz AIYFESAXMKSWBL-MCIONIFRSA-N 1 2 332.466 1.265 20 30 EDEDLO CCN1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000331004618 444355819 /nfs/dbraw/zinc/35/58/19/444355819.db2.gz SFKZSZWPNKHEKF-YOEHRIQHSA-N 1 2 332.452 1.143 20 30 EDEDLO C[C@@H](C(=O)NCCc1cc(F)cc2c1OCOC2)[NH+]1CCOCC1 ZINC000328857556 444376824 /nfs/dbraw/zinc/37/68/24/444376824.db2.gz KRIITGHHQBYTPT-LBPRGKRZSA-N 1 2 338.379 1.912 20 30 EDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N(C)C[C@H](C)C#N ZINC000297774653 444332649 /nfs/dbraw/zinc/33/26/49/444332649.db2.gz NATAFXMMOXSRGN-KGLIPLIRSA-N 1 2 331.420 1.575 20 30 EDEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000298072126 444406551 /nfs/dbraw/zinc/40/65/51/444406551.db2.gz SGJSFOGNBJSMOR-UHFFFAOYSA-N 1 2 341.455 1.898 20 30 EDEDLO CN1CCOC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000328935347 444410760 /nfs/dbraw/zinc/41/07/60/444410760.db2.gz FPGAMIZRXFSPRA-DLBZAZTESA-N 1 2 333.432 1.347 20 30 EDEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCc3c(C)noc3C)C2)CC1 ZINC000328651085 444414837 /nfs/dbraw/zinc/41/48/37/444414837.db2.gz JNXCLPBBRFRWIJ-INIZCTEOSA-N 1 2 349.479 1.460 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nccn3C(F)F)C[C@H]21 ZINC000328881514 444385949 /nfs/dbraw/zinc/38/59/49/444385949.db2.gz MHPMWLNGUKXAQI-GHMZBOCLSA-N 1 2 329.351 1.097 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nccn3C(F)F)C[C@H]21 ZINC000328881514 444385952 /nfs/dbraw/zinc/38/59/52/444385952.db2.gz MHPMWLNGUKXAQI-GHMZBOCLSA-N 1 2 329.351 1.097 20 30 EDEDLO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])NC[C@@H]1CCCn3cc[nH+]c31)CC2 ZINC000328612189 444393490 /nfs/dbraw/zinc/39/34/90/444393490.db2.gz PDCHWUQOCQBWRT-QWHCGFSZSA-N 1 2 329.408 1.179 20 30 EDEDLO Cc1nc2n(n1)C[C@H](NC([O-])=[NH+]C[C@@H]1CCCn3cc[nH+]c31)CC2 ZINC000328612189 444393491 /nfs/dbraw/zinc/39/34/91/444393491.db2.gz PDCHWUQOCQBWRT-QWHCGFSZSA-N 1 2 329.408 1.179 20 30 EDEDLO Cc1oc(-c2cnn(C)c2)nc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000328615813 444395193 /nfs/dbraw/zinc/39/51/93/444395193.db2.gz RYKLFXWMQLTCHA-LLVKDONJSA-N 1 2 333.392 1.409 20 30 EDEDLO Cc1oc(-c2cnn(C)c2)nc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000328615813 444395196 /nfs/dbraw/zinc/39/51/96/444395196.db2.gz RYKLFXWMQLTCHA-LLVKDONJSA-N 1 2 333.392 1.409 20 30 EDEDLO Cc1ccc2c(c1)nc(CNC(=O)N1C[C@@H]3[C@H](C1)OCC[N@@H+]3C)n2C ZINC000328677561 444425944 /nfs/dbraw/zinc/42/59/44/444425944.db2.gz AQRHKHJUBXXSMQ-CVEARBPZSA-N 1 2 343.431 1.311 20 30 EDEDLO Cc1ccc2c(c1)nc(CNC(=O)N1C[C@@H]3[C@H](C1)OCC[N@H+]3C)n2C ZINC000328677561 444425948 /nfs/dbraw/zinc/42/59/48/444425948.db2.gz AQRHKHJUBXXSMQ-CVEARBPZSA-N 1 2 343.431 1.311 20 30 EDEDLO Cc1ccc2nc(CNC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)cn2c1 ZINC000329076856 444466425 /nfs/dbraw/zinc/46/64/25/444466425.db2.gz CIAKKKRHOUNDOL-HOTGVXAUSA-N 1 2 343.431 1.462 20 30 EDEDLO Cc1ccc2nc(CNC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)cn2c1 ZINC000329076856 444466427 /nfs/dbraw/zinc/46/64/27/444466427.db2.gz CIAKKKRHOUNDOL-HOTGVXAUSA-N 1 2 343.431 1.462 20 30 EDEDLO CN(C)c1ccc(CNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c[nH+]1 ZINC000329093807 444470461 /nfs/dbraw/zinc/47/04/61/444470461.db2.gz ARGHEEWOMMEHEN-PBHICJAKSA-N 1 2 334.420 1.489 20 30 EDEDLO O=C(CNC(=O)c1cc2c(s1)CCC2)NCC[NH+]1CCOCC1 ZINC000329108652 444474098 /nfs/dbraw/zinc/47/40/98/444474098.db2.gz PODOXWACCGJIIC-UHFFFAOYSA-N 1 2 337.445 1.255 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1nccn1C(F)F ZINC000329189111 444495960 /nfs/dbraw/zinc/49/59/60/444495960.db2.gz RJLBGIDTJJPZOM-GFCCVEGCSA-N 1 2 344.410 1.260 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1nccn1C(F)F ZINC000329189114 444496051 /nfs/dbraw/zinc/49/60/51/444496051.db2.gz RJLBGIDTJJPZOM-LBPRGKRZSA-N 1 2 344.410 1.260 20 30 EDEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329117222 444476292 /nfs/dbraw/zinc/47/62/92/444476292.db2.gz NUGAGJFGIUWQMX-RHSMWYFYSA-N 1 2 334.420 1.841 20 30 EDEDLO COc1cnc(NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)s1 ZINC000329226141 444506047 /nfs/dbraw/zinc/50/60/47/444506047.db2.gz ACZUTCNKYMRYLX-GHMZBOCLSA-N 1 2 326.422 1.350 20 30 EDEDLO Cc1noc([C@@H]2CCCN2C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000329227739 444507106 /nfs/dbraw/zinc/50/71/06/444507106.db2.gz IHYGHZHKVOUBSC-JSGCOSHPSA-N 1 2 336.440 1.065 20 30 EDEDLO C[C@@H]1C[C@H](C)CCN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C1 ZINC000332310934 444509280 /nfs/dbraw/zinc/50/92/80/444509280.db2.gz MTSZTZSBTMMJPL-HUUCEWRRSA-N 1 2 334.464 1.327 20 30 EDEDLO C[C@H](CCO)C1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCC1 ZINC000329243218 444510500 /nfs/dbraw/zinc/51/05/00/444510500.db2.gz SSONMAZKUQTKKN-KFWWJZLASA-N 1 2 325.453 1.104 20 30 EDEDLO C[C@H](CCO)C1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCC1 ZINC000329243218 444510502 /nfs/dbraw/zinc/51/05/02/444510502.db2.gz SSONMAZKUQTKKN-KFWWJZLASA-N 1 2 325.453 1.104 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])NC[C@H]1COCCO1)C2 ZINC000329277531 444519271 /nfs/dbraw/zinc/51/92/71/444519271.db2.gz LQVSNQRBQPYRQD-STQMWFEESA-N 1 2 336.436 1.414 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+]C[C@H]1COCCO1)C2 ZINC000329277531 444519275 /nfs/dbraw/zinc/51/92/75/444519275.db2.gz LQVSNQRBQPYRQD-STQMWFEESA-N 1 2 336.436 1.414 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CCCn2ccnc21 ZINC000329279390 444519689 /nfs/dbraw/zinc/51/96/89/444519689.db2.gz MMCKTXNRIAGRFV-OAGGEKHMSA-N 1 2 347.463 1.470 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)C2(C#N)CCCC2)C1 ZINC000332698039 444528999 /nfs/dbraw/zinc/52/89/99/444528999.db2.gz WUKQMWVXUBXSCR-KRWDZBQOSA-N 1 2 335.448 1.993 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCN4C(=O)CC[C@@H]4C3)C2=O)cc1 ZINC000329419637 444571991 /nfs/dbraw/zinc/57/19/91/444571991.db2.gz GPNUQHVDYJBOGP-IAGOWNOFSA-N 1 2 338.411 1.360 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCN4C(=O)CC[C@@H]4C3)C2=O)cc1 ZINC000329419637 444571994 /nfs/dbraw/zinc/57/19/94/444571994.db2.gz GPNUQHVDYJBOGP-IAGOWNOFSA-N 1 2 338.411 1.360 20 30 EDEDLO C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000329552890 444626572 /nfs/dbraw/zinc/62/65/72/444626572.db2.gz AUYYRQAXYRZXBB-IKGGRYGDSA-N 1 2 339.480 1.902 20 30 EDEDLO O=C(C[N@@H+]1CCOCC2(CC2)C1)Nc1cc(-n2cnnn2)ccc1F ZINC000329450468 444585123 /nfs/dbraw/zinc/58/51/23/444585123.db2.gz LUCSBHIWDZIGOH-UHFFFAOYSA-N 1 2 346.366 1.502 20 30 EDEDLO O=C(C[N@H+]1CCOCC2(CC2)C1)Nc1cc(-n2cnnn2)ccc1F ZINC000329450468 444585124 /nfs/dbraw/zinc/58/51/24/444585124.db2.gz LUCSBHIWDZIGOH-UHFFFAOYSA-N 1 2 346.366 1.502 20 30 EDEDLO Cn1ncc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1-c1ccccc1 ZINC000329458253 444588379 /nfs/dbraw/zinc/58/83/79/444588379.db2.gz QZTMVCFMKHHGGV-JKSUJKDBSA-N 1 2 341.415 1.647 20 30 EDEDLO Cn1ncc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1-c1ccccc1 ZINC000329458253 444588383 /nfs/dbraw/zinc/58/83/83/444588383.db2.gz QZTMVCFMKHHGGV-JKSUJKDBSA-N 1 2 341.415 1.647 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329467758 444592257 /nfs/dbraw/zinc/59/22/57/444592257.db2.gz WKORUKQKVLSUDP-FUHWJXTLSA-N 1 2 342.443 1.338 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329467758 444592262 /nfs/dbraw/zinc/59/22/62/444592262.db2.gz WKORUKQKVLSUDP-FUHWJXTLSA-N 1 2 342.443 1.338 20 30 EDEDLO CN(C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@@H]1COC[C@H]1O ZINC000329470652 444593902 /nfs/dbraw/zinc/59/39/02/444593902.db2.gz YYQSHXNIFRFSSO-YNEHKIRRSA-N 1 2 336.436 1.101 20 30 EDEDLO O=S1(=O)CCCC[C@@H]1C[NH+]=C([O-])N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329501581 444606317 /nfs/dbraw/zinc/60/63/17/444606317.db2.gz GHYZUTOZQUGVMZ-UONOGXRCSA-N 1 2 340.449 1.229 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329501581 444606321 /nfs/dbraw/zinc/60/63/21/444606321.db2.gz GHYZUTOZQUGVMZ-UONOGXRCSA-N 1 2 340.449 1.229 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000329641604 444661738 /nfs/dbraw/zinc/66/17/38/444661738.db2.gz XWYREPPQHSYAOC-AXFHLTTASA-N 1 2 346.353 1.674 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000329641604 444661743 /nfs/dbraw/zinc/66/17/43/444661743.db2.gz XWYREPPQHSYAOC-AXFHLTTASA-N 1 2 346.353 1.674 20 30 EDEDLO [O-]C(NC1CCN(c2cccnn2)CC1)=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329644233 444662556 /nfs/dbraw/zinc/66/25/56/444662556.db2.gz DFWMUOAQKCBKQQ-CYBMUJFWSA-N 1 2 341.419 1.230 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000329585583 444639317 /nfs/dbraw/zinc/63/93/17/444639317.db2.gz WLYRMCZAGDIYNJ-CABCVRRESA-N 1 2 344.477 1.554 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000329585583 444639319 /nfs/dbraw/zinc/63/93/19/444639319.db2.gz WLYRMCZAGDIYNJ-CABCVRRESA-N 1 2 344.477 1.554 20 30 EDEDLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@H]1CCCCO1 ZINC000329608389 444645977 /nfs/dbraw/zinc/64/59/77/444645977.db2.gz NDBISWJMWKTTEI-HRCADAONSA-N 1 2 325.453 1.655 20 30 EDEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000329816973 444728249 /nfs/dbraw/zinc/72/82/49/444728249.db2.gz FQHADDKASGBKAA-ZDUSSCGKSA-N 1 2 329.466 1.038 20 30 EDEDLO N#Cc1c(F)cccc1N1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000342541276 444737847 /nfs/dbraw/zinc/73/78/47/444737847.db2.gz CLYPOEYNRIWDAK-UHFFFAOYSA-N 1 2 332.423 1.542 20 30 EDEDLO Cc1nnc([C@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH]1 ZINC000334027072 444751969 /nfs/dbraw/zinc/75/19/69/444751969.db2.gz HVDNLUDNRBSOKB-OCCSQVGLSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1nnc([C@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH]1 ZINC000334027072 444751971 /nfs/dbraw/zinc/75/19/71/444751971.db2.gz HVDNLUDNRBSOKB-OCCSQVGLSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000334027072 444751974 /nfs/dbraw/zinc/75/19/74/444751974.db2.gz HVDNLUDNRBSOKB-OCCSQVGLSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1n[nH]c([C@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000334027072 444751976 /nfs/dbraw/zinc/75/19/76/444751976.db2.gz HVDNLUDNRBSOKB-OCCSQVGLSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1nc([C@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n[nH]1 ZINC000334027072 444751978 /nfs/dbraw/zinc/75/19/78/444751978.db2.gz HVDNLUDNRBSOKB-OCCSQVGLSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1nc([C@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n[nH]1 ZINC000334027072 444751980 /nfs/dbraw/zinc/75/19/80/444751980.db2.gz HVDNLUDNRBSOKB-OCCSQVGLSA-N 1 2 330.436 1.634 20 30 EDEDLO C[C@@H]1OCC[C@@]12CN(C(=O)NCc1cn3c([nH+]1)CCCC3)CCO2 ZINC000329901945 444760492 /nfs/dbraw/zinc/76/04/92/444760492.db2.gz HHUNMYOAKCPTRZ-SUMWQHHRSA-N 1 2 334.420 1.513 20 30 EDEDLO COc1ccc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1Cl ZINC000329911253 444764660 /nfs/dbraw/zinc/76/46/60/444764660.db2.gz AKQFDOKUYMVGGY-HIFRSBDPSA-N 1 2 339.823 1.951 20 30 EDEDLO COc1ccc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1Cl ZINC000329911253 444764664 /nfs/dbraw/zinc/76/46/64/444764664.db2.gz AKQFDOKUYMVGGY-HIFRSBDPSA-N 1 2 339.823 1.951 20 30 EDEDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1Cl ZINC000329911253 444764671 /nfs/dbraw/zinc/76/46/71/444764671.db2.gz AKQFDOKUYMVGGY-HIFRSBDPSA-N 1 2 339.823 1.951 20 30 EDEDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1Cl ZINC000329911253 444764675 /nfs/dbraw/zinc/76/46/75/444764675.db2.gz AKQFDOKUYMVGGY-HIFRSBDPSA-N 1 2 339.823 1.951 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccccc3O[C@@H]3CCOC3)C[C@H]21 ZINC000329918933 444769289 /nfs/dbraw/zinc/76/92/89/444769289.db2.gz GFEBNDBIAVGCCB-FRFSOERESA-N 1 2 347.415 1.415 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccccc3O[C@@H]3CCOC3)C[C@H]21 ZINC000329918933 444769294 /nfs/dbraw/zinc/76/92/94/444769294.db2.gz GFEBNDBIAVGCCB-FRFSOERESA-N 1 2 347.415 1.415 20 30 EDEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2nc(C3CC3)no2)C2CC2)cc1 ZINC000344102615 444782481 /nfs/dbraw/zinc/78/24/81/444782481.db2.gz GJICUPCHTUVNJZ-UHFFFAOYSA-N 1 2 337.383 1.844 20 30 EDEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2nc(C3CC3)no2)C2CC2)cc1 ZINC000344102615 444782484 /nfs/dbraw/zinc/78/24/84/444782484.db2.gz GJICUPCHTUVNJZ-UHFFFAOYSA-N 1 2 337.383 1.844 20 30 EDEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C1(CC)CC ZINC000329984458 444799662 /nfs/dbraw/zinc/79/96/62/444799662.db2.gz QJOKWDJVMQMOQH-YHUYYLMFSA-N 1 2 339.480 1.899 20 30 EDEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1(CC)CC ZINC000329984458 444799666 /nfs/dbraw/zinc/79/96/66/444799666.db2.gz QJOKWDJVMQMOQH-YHUYYLMFSA-N 1 2 339.480 1.899 20 30 EDEDLO Cc1cc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)cc(C#N)n1 ZINC000341415630 444817231 /nfs/dbraw/zinc/81/72/31/444817231.db2.gz DLBFUHLDWAUUCR-SFHVURJKSA-N 1 2 335.411 1.610 20 30 EDEDLO N#CCCCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000342632359 444788278 /nfs/dbraw/zinc/78/82/78/444788278.db2.gz DKOQGYIPJCBCBG-UHFFFAOYSA-N 1 2 325.372 1.945 20 30 EDEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cn([C@H]2CCOC2)nn1 ZINC000330069886 444833308 /nfs/dbraw/zinc/83/33/08/444833308.db2.gz WOHKKQHABYQFNI-ZDUSSCGKSA-N 1 2 330.392 1.320 20 30 EDEDLO COCCC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCCCC1 ZINC000330075465 444835255 /nfs/dbraw/zinc/83/52/55/444835255.db2.gz DFTPTJLFCIBDFL-CVEARBPZSA-N 1 2 339.480 1.902 20 30 EDEDLO COCCC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCCCC1 ZINC000330075465 444835256 /nfs/dbraw/zinc/83/52/56/444835256.db2.gz DFTPTJLFCIBDFL-CVEARBPZSA-N 1 2 339.480 1.902 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000336921666 444854046 /nfs/dbraw/zinc/85/40/46/444854046.db2.gz SFUFIKYQLBADQK-CYBMUJFWSA-N 1 2 335.433 1.193 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCOC[C@@H](C2CCC2)C1 ZINC000330163409 444868863 /nfs/dbraw/zinc/86/88/63/444868863.db2.gz AUQVWJNWCAULPV-INIZCTEOSA-N 1 2 339.480 1.760 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCOC[C@@H](C2CCC2)C1 ZINC000330163409 444868866 /nfs/dbraw/zinc/86/88/66/444868866.db2.gz AUQVWJNWCAULPV-INIZCTEOSA-N 1 2 339.480 1.760 20 30 EDEDLO CCOC(=O)[C@@H](NCc1c[nH+]c2ccc(C#N)cn12)[C@@H]1CCCOC1 ZINC000342799313 444871688 /nfs/dbraw/zinc/87/16/88/444871688.db2.gz KLEMVNSMVWZJRG-PBHICJAKSA-N 1 2 342.399 1.654 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000341539981 444882881 /nfs/dbraw/zinc/88/28/81/444882881.db2.gz XCTPRRPDWHJQGG-OWCLPIDISA-N 1 2 337.443 1.986 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000341539981 444882885 /nfs/dbraw/zinc/88/28/85/444882885.db2.gz XCTPRRPDWHJQGG-OWCLPIDISA-N 1 2 337.443 1.986 20 30 EDEDLO O=c1ccc2c([nH]1)CCC[C@H]2[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330236875 444900542 /nfs/dbraw/zinc/90/05/42/444900542.db2.gz HKQPIJWFJYYFOF-BXUZGUMPSA-N 1 2 327.388 1.880 20 30 EDEDLO O=c1ccc2c([nH]1)CCC[C@H]2NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330236875 444900548 /nfs/dbraw/zinc/90/05/48/444900548.db2.gz HKQPIJWFJYYFOF-BXUZGUMPSA-N 1 2 327.388 1.880 20 30 EDEDLO CN(CC(=O)NC(C)(C)C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330373122 444957488 /nfs/dbraw/zinc/95/74/88/444957488.db2.gz CHLVSMZAVVCUKK-UHFFFAOYSA-N 1 2 335.452 1.522 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C(C)C)n2CC(C)C)CC1 ZINC000338982447 444968447 /nfs/dbraw/zinc/96/84/47/444968447.db2.gz ZASAQVXLDVBXFB-UHFFFAOYSA-N 1 2 348.495 1.482 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccnn2)CC1 ZINC000330413861 444971176 /nfs/dbraw/zinc/97/11/76/444971176.db2.gz MUKFQSGMYZGOLY-WMLDXEAASA-N 1 2 330.436 1.042 20 30 EDEDLO CC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C1 ZINC000330445697 444984102 /nfs/dbraw/zinc/98/41/02/444984102.db2.gz HFBJPVLCRXDNJG-HNNXBMFYSA-N 1 2 346.431 1.566 20 30 EDEDLO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C1 ZINC000330445697 444984106 /nfs/dbraw/zinc/98/41/06/444984106.db2.gz HFBJPVLCRXDNJG-HNNXBMFYSA-N 1 2 346.431 1.566 20 30 EDEDLO C[C@](C#N)(NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F)C1CC1 ZINC000337221039 444991719 /nfs/dbraw/zinc/99/17/19/444991719.db2.gz DOHYTGDRTMTIKT-XJKSGUPXSA-N 1 2 339.798 1.911 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)OCC ZINC000339440386 445141906 /nfs/dbraw/zinc/14/19/06/445141906.db2.gz RMYAAZWJZHXUTR-GDBMZVCRSA-N 1 2 337.464 1.169 20 30 EDEDLO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000337501248 445107193 /nfs/dbraw/zinc/10/71/93/445107193.db2.gz KVQWGWQMVRMVGV-OAHLLOKOSA-N 1 2 331.416 1.191 20 30 EDEDLO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000337501248 445107198 /nfs/dbraw/zinc/10/71/98/445107198.db2.gz KVQWGWQMVRMVGV-OAHLLOKOSA-N 1 2 331.416 1.191 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339782668 445169926 /nfs/dbraw/zinc/16/99/26/445169926.db2.gz PWAMEUNJUOJOQU-IRXDYDNUSA-N 1 2 344.390 1.589 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339782668 445169931 /nfs/dbraw/zinc/16/99/31/445169931.db2.gz PWAMEUNJUOJOQU-IRXDYDNUSA-N 1 2 344.390 1.589 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000339862067 445175275 /nfs/dbraw/zinc/17/52/75/445175275.db2.gz QIHOGFHPONJFHY-HNNXBMFYSA-N 1 2 344.390 1.799 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000339900251 445182138 /nfs/dbraw/zinc/18/21/38/445182138.db2.gz TTZBYAZEHFZZQY-HZPDHXFCSA-N 1 2 339.480 1.320 20 30 EDEDLO N#Cc1cnc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)c(Cl)c1 ZINC000337641887 445183159 /nfs/dbraw/zinc/18/31/59/445183159.db2.gz GSUMWPFEKHLLHW-AWEZNQCLSA-N 1 2 327.775 1.788 20 30 EDEDLO C[C@H](C(=O)NCc1cccc(NC(=O)N(C)C)c1)[NH+]1CCOCC1 ZINC000330899107 445186911 /nfs/dbraw/zinc/18/69/11/445186911.db2.gz IWAUOWQSZMYZEH-CYBMUJFWSA-N 1 2 334.420 1.131 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000330938043 445198012 /nfs/dbraw/zinc/19/80/12/445198012.db2.gz BLSCNGUAONEPDT-MWLCHTKSSA-N 1 2 326.347 1.500 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000330938043 445198014 /nfs/dbraw/zinc/19/80/14/445198014.db2.gz BLSCNGUAONEPDT-MWLCHTKSSA-N 1 2 326.347 1.500 20 30 EDEDLO C=CCCS(=O)(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000343500444 445234752 /nfs/dbraw/zinc/23/47/52/445234752.db2.gz PDKNCEQGWKJAGT-DLBZAZTESA-N 1 2 338.473 1.896 20 30 EDEDLO C=CCCS(=O)(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000343500444 445234754 /nfs/dbraw/zinc/23/47/54/445234754.db2.gz PDKNCEQGWKJAGT-DLBZAZTESA-N 1 2 338.473 1.896 20 30 EDEDLO COc1cc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)cc(OC)c1OC ZINC000347681355 445244635 /nfs/dbraw/zinc/24/46/35/445244635.db2.gz BMWNSLGFSNXKOB-WCQYABFASA-N 1 2 333.388 1.933 20 30 EDEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348309875 445252453 /nfs/dbraw/zinc/25/24/53/445252453.db2.gz VBGTXHZOJWVQES-CZUORRHYSA-N 1 2 334.851 1.999 20 30 EDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000343599507 445257839 /nfs/dbraw/zinc/25/78/39/445257839.db2.gz NZTRZJQNHCJQNR-JKSUJKDBSA-N 1 2 344.459 1.911 20 30 EDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000343599507 445257842 /nfs/dbraw/zinc/25/78/42/445257842.db2.gz NZTRZJQNHCJQNR-JKSUJKDBSA-N 1 2 344.459 1.911 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351794803 445324703 /nfs/dbraw/zinc/32/47/03/445324703.db2.gz GNCSHWLBVCAVBA-BLLLJJGKSA-N 1 2 348.447 1.264 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000351794803 445324705 /nfs/dbraw/zinc/32/47/05/445324705.db2.gz GNCSHWLBVCAVBA-BLLLJJGKSA-N 1 2 348.447 1.264 20 30 EDEDLO Cc1[nH][nH]c(=NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)c1C#N ZINC000357154334 445458149 /nfs/dbraw/zinc/45/81/49/445458149.db2.gz DFZUQVWIGDTPFL-UHFFFAOYSA-N 1 2 347.382 1.396 20 30 EDEDLO NS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000357395888 445556682 /nfs/dbraw/zinc/55/66/82/445556682.db2.gz ZBIZGZGMKIQRGY-ZDUSSCGKSA-N 1 2 332.347 1.420 20 30 EDEDLO NS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000357395888 445556686 /nfs/dbraw/zinc/55/66/86/445556686.db2.gz ZBIZGZGMKIQRGY-ZDUSSCGKSA-N 1 2 332.347 1.420 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)[C@@H]2COC[C@@H]2O)c1 ZINC000352813826 445557184 /nfs/dbraw/zinc/55/71/84/445557184.db2.gz CUKKECWTVSJEGF-JQHSSLGASA-N 1 2 345.443 1.630 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)[C@@H]2COC[C@@H]2O)c1 ZINC000352813826 445557186 /nfs/dbraw/zinc/55/71/86/445557186.db2.gz CUKKECWTVSJEGF-JQHSSLGASA-N 1 2 345.443 1.630 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@@H+]1CCOC ZINC000357538745 445565371 /nfs/dbraw/zinc/56/53/71/445565371.db2.gz DHPMDIPPKCSQFF-AWEZNQCLSA-N 1 2 329.466 1.053 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@H+]1CCOC ZINC000357538745 445565375 /nfs/dbraw/zinc/56/53/75/445565375.db2.gz DHPMDIPPKCSQFF-AWEZNQCLSA-N 1 2 329.466 1.053 20 30 EDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)CC1(C#N)CCC1 ZINC000349648914 445634382 /nfs/dbraw/zinc/63/43/82/445634382.db2.gz AODPJCRQJHJFAN-UHFFFAOYSA-N 1 2 329.466 1.053 20 30 EDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)CC1(C#N)CCC1 ZINC000349648914 445634386 /nfs/dbraw/zinc/63/43/86/445634386.db2.gz AODPJCRQJHJFAN-UHFFFAOYSA-N 1 2 329.466 1.053 20 30 EDEDLO CO[C@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000349775532 445674053 /nfs/dbraw/zinc/67/40/53/445674053.db2.gz RFCSRYBQKGPHHK-ROUUACIJSA-N 1 2 342.443 1.953 20 30 EDEDLO Cn1ncc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1C#N ZINC000353677820 445704013 /nfs/dbraw/zinc/70/40/13/445704013.db2.gz RIQKCVAFTBFQHW-UHFFFAOYSA-N 1 2 339.399 1.129 20 30 EDEDLO COc1cccc([C@@H](NS(=O)(=O)CCCC#N)c2[nH+]ccn2C)c1 ZINC000363185033 445712717 /nfs/dbraw/zinc/71/27/17/445712717.db2.gz ODKJIULSVCRBEE-OAHLLOKOSA-N 1 2 348.428 1.741 20 30 EDEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000363209057 445722479 /nfs/dbraw/zinc/72/24/79/445722479.db2.gz IXIMRHHJAXBTES-UHFFFAOYSA-N 1 2 349.822 1.497 20 30 EDEDLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000363209057 445722484 /nfs/dbraw/zinc/72/24/84/445722484.db2.gz IXIMRHHJAXBTES-UHFFFAOYSA-N 1 2 349.822 1.497 20 30 EDEDLO Cc1cc[nH+]c(N2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)c1 ZINC000361700372 445884507 /nfs/dbraw/zinc/88/45/07/445884507.db2.gz VLILIHVKQATCCA-UHFFFAOYSA-N 1 2 349.438 1.700 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364323810 445911898 /nfs/dbraw/zinc/91/18/98/445911898.db2.gz JZNSNAASVZYZFL-BBRMVZONSA-N 1 2 346.391 1.237 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364323810 445911905 /nfs/dbraw/zinc/91/19/05/445911905.db2.gz JZNSNAASVZYZFL-BBRMVZONSA-N 1 2 346.391 1.237 20 30 EDEDLO C=C(C)COc1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)ccc1OC ZINC000354185754 445981209 /nfs/dbraw/zinc/98/12/09/445981209.db2.gz GJYDORYXXKSPTD-CQSZACIVSA-N 1 2 345.399 1.386 20 30 EDEDLO C=C(C)COc1cc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)ccc1OC ZINC000354185754 445981215 /nfs/dbraw/zinc/98/12/15/445981215.db2.gz GJYDORYXXKSPTD-CQSZACIVSA-N 1 2 345.399 1.386 20 30 EDEDLO N#C[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CCN1C1CC1 ZINC000369220900 446002799 /nfs/dbraw/zinc/00/27/99/446002799.db2.gz UXESCCIDJAAAQT-OAHLLOKOSA-N 1 2 328.420 1.265 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000583190405 326021806 /nfs/dbraw/zinc/02/18/06/326021806.db2.gz SIGSINUTFBXOJF-LBPRGKRZSA-N 1 2 349.818 1.826 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000583190405 326021812 /nfs/dbraw/zinc/02/18/12/326021812.db2.gz SIGSINUTFBXOJF-LBPRGKRZSA-N 1 2 349.818 1.826 20 30 EDEDLO N#CCc1ccc(NC(=O)c2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000365187166 446070185 /nfs/dbraw/zinc/07/01/85/446070185.db2.gz YJAITXUUMBOPTH-UHFFFAOYSA-N 1 2 339.399 1.534 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000369349879 446092253 /nfs/dbraw/zinc/09/22/53/446092253.db2.gz OZAZWXHXUCZKPZ-CQSZACIVSA-N 1 2 330.413 1.860 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cncc(OC)n2)CC1 ZINC000369352472 446095275 /nfs/dbraw/zinc/09/52/75/446095275.db2.gz DWISFRIOSAXHOO-OAHLLOKOSA-N 1 2 347.463 1.420 20 30 EDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000369523531 446128266 /nfs/dbraw/zinc/12/82/66/446128266.db2.gz XALCGAUKGDSWNP-BIENJYKASA-N 1 2 340.427 1.587 20 30 EDEDLO CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000369523531 446128272 /nfs/dbraw/zinc/12/82/72/446128272.db2.gz XALCGAUKGDSWNP-BIENJYKASA-N 1 2 340.427 1.587 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366428498 446209276 /nfs/dbraw/zinc/20/92/76/446209276.db2.gz HZEILLCUVAKLBA-AWEZNQCLSA-N 1 2 329.466 1.038 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366428498 446209283 /nfs/dbraw/zinc/20/92/83/446209283.db2.gz HZEILLCUVAKLBA-AWEZNQCLSA-N 1 2 329.466 1.038 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c(C#N)c1C ZINC000366427701 446209634 /nfs/dbraw/zinc/20/96/34/446209634.db2.gz JEDYFGVEYWLFJG-YUELXQCFSA-N 1 2 344.415 1.825 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c(C#N)c1C ZINC000366427701 446209643 /nfs/dbraw/zinc/20/96/43/446209643.db2.gz JEDYFGVEYWLFJG-YUELXQCFSA-N 1 2 344.415 1.825 20 30 EDEDLO C=CCn1cccc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000351621573 446216417 /nfs/dbraw/zinc/21/64/17/446216417.db2.gz TWECZLYMNMSPNH-GJZGRUSLSA-N 1 2 345.422 1.750 20 30 EDEDLO N#Cc1cccc(C2(NC(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)c1 ZINC000366456394 446222168 /nfs/dbraw/zinc/22/21/68/446222168.db2.gz SWPDXGNXWARXJD-KRWDZBQOSA-N 1 2 340.427 1.710 20 30 EDEDLO N#Cc1cccc(C2(NC(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)c1 ZINC000366456394 446222174 /nfs/dbraw/zinc/22/21/74/446222174.db2.gz SWPDXGNXWARXJD-KRWDZBQOSA-N 1 2 340.427 1.710 20 30 EDEDLO C[N@H+]([C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCCCNC1=O ZINC000365559837 446255292 /nfs/dbraw/zinc/25/52/92/446255292.db2.gz KJYUKEOSCKWQSB-DLBZAZTESA-N 1 2 340.427 1.654 20 30 EDEDLO C[N@@H+]([C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCCCNC1=O ZINC000365559837 446255296 /nfs/dbraw/zinc/25/52/96/446255296.db2.gz KJYUKEOSCKWQSB-DLBZAZTESA-N 1 2 340.427 1.654 20 30 EDEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000362203136 446259704 /nfs/dbraw/zinc/25/97/04/446259704.db2.gz OICRWEVLEMTTRA-CYBMUJFWSA-N 1 2 341.371 1.207 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000374584154 446377750 /nfs/dbraw/zinc/37/77/50/446377750.db2.gz KAJDZEGHUFSMPY-KGLIPLIRSA-N 1 2 337.449 1.119 20 30 EDEDLO N#Cc1ncn(C2CC[NH+](Cc3ncnn3-c3ccccc3)CC2)n1 ZINC000366906794 446406086 /nfs/dbraw/zinc/40/60/86/446406086.db2.gz ZLKOGIJSDAJADP-UHFFFAOYSA-N 1 2 334.387 1.568 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366916948 446409587 /nfs/dbraw/zinc/40/95/87/446409587.db2.gz YIPDWAQDYRITDY-KYOSRNDESA-N 1 2 328.372 1.316 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000366916948 446409589 /nfs/dbraw/zinc/40/95/89/446409589.db2.gz YIPDWAQDYRITDY-KYOSRNDESA-N 1 2 328.372 1.316 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)o1 ZINC000376361696 446454584 /nfs/dbraw/zinc/45/45/84/446454584.db2.gz ZHPAOUBXPRKONG-UONOGXRCSA-N 1 2 339.417 1.073 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000432981141 446522592 /nfs/dbraw/zinc/52/25/92/446522592.db2.gz AJMJOYLXAKAAKR-JTQLQIEISA-N 1 2 340.225 1.652 20 30 EDEDLO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433283966 446552301 /nfs/dbraw/zinc/55/23/01/446552301.db2.gz DTZQIJKTEOPMPY-HNNXBMFYSA-N 1 2 344.459 1.911 20 30 EDEDLO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433283966 446552308 /nfs/dbraw/zinc/55/23/08/446552308.db2.gz DTZQIJKTEOPMPY-HNNXBMFYSA-N 1 2 344.459 1.911 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000433261137 446552858 /nfs/dbraw/zinc/55/28/58/446552858.db2.gz MSWQFOXDFJZKOI-QDOIMOTRSA-N 1 2 337.485 1.855 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000433261137 446552861 /nfs/dbraw/zinc/55/28/61/446552861.db2.gz MSWQFOXDFJZKOI-QDOIMOTRSA-N 1 2 337.485 1.855 20 30 EDEDLO CN(C(=O)C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1)C1(C#N)CCCCC1 ZINC000367820955 446593324 /nfs/dbraw/zinc/59/33/24/446593324.db2.gz FJIYAQHAWJQNLZ-AWEZNQCLSA-N 1 2 341.477 1.038 20 30 EDEDLO CN(C(=O)C[N@H+]1CC[C@H](CS(C)(=O)=O)C1)C1(C#N)CCCCC1 ZINC000367820955 446593330 /nfs/dbraw/zinc/59/33/30/446593330.db2.gz FJIYAQHAWJQNLZ-AWEZNQCLSA-N 1 2 341.477 1.038 20 30 EDEDLO N#C[C@H]1C[N@@H+](Cc2cnc3cnccn23)C[C@@]12C(=O)Nc1ccccc12 ZINC000376639696 446621576 /nfs/dbraw/zinc/62/15/76/446621576.db2.gz CYXZADXQOPMPET-ORAYPTAESA-N 1 2 344.378 1.575 20 30 EDEDLO N#C[C@H]1C[N@H+](Cc2cnc3cnccn23)C[C@@]12C(=O)Nc1ccccc12 ZINC000376639696 446621583 /nfs/dbraw/zinc/62/15/83/446621583.db2.gz CYXZADXQOPMPET-ORAYPTAESA-N 1 2 344.378 1.575 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412094415 446852987 /nfs/dbraw/zinc/85/29/87/446852987.db2.gz DZWFEMKLLYTDTH-IFUGULHKSA-N 1 2 337.807 1.214 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412094415 446852992 /nfs/dbraw/zinc/85/29/92/446852992.db2.gz DZWFEMKLLYTDTH-IFUGULHKSA-N 1 2 337.807 1.214 20 30 EDEDLO C=CCC1(C(=O)N2CCC[N@@H+](CC(=O)NCC)CC2)CCOCC1 ZINC000424588991 446902370 /nfs/dbraw/zinc/90/23/70/446902370.db2.gz YIMQYJBYKSAQLC-UHFFFAOYSA-N 1 2 337.464 1.030 20 30 EDEDLO C=CCC1(C(=O)N2CCC[N@H+](CC(=O)NCC)CC2)CCOCC1 ZINC000424588991 446902372 /nfs/dbraw/zinc/90/23/72/446902372.db2.gz YIMQYJBYKSAQLC-UHFFFAOYSA-N 1 2 337.464 1.030 20 30 EDEDLO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)cc1C#N ZINC000375591725 446912030 /nfs/dbraw/zinc/91/20/30/446912030.db2.gz OMVATHILPRUYGE-QGZVFWFLSA-N 1 2 340.427 1.293 20 30 EDEDLO Cc1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1C#N ZINC000375621844 446930573 /nfs/dbraw/zinc/93/05/73/446930573.db2.gz XQLCPFPGJGFOMK-SFHVURJKSA-N 1 2 345.468 1.804 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442795362 446971704 /nfs/dbraw/zinc/97/17/04/446971704.db2.gz DRIBGTJLPFKXHO-UHFFFAOYSA-N 1 2 331.342 1.476 20 30 EDEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000371782171 446964287 /nfs/dbraw/zinc/96/42/87/446964287.db2.gz UCBQMQOWDLFQDH-OTWHNJEPSA-N 1 2 329.444 1.451 20 30 EDEDLO CC(=O)N1CC[NH+](CCNc2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000413050865 446988894 /nfs/dbraw/zinc/98/88/94/446988894.db2.gz FCWWGLNSHFBAKS-UHFFFAOYSA-N 1 2 341.337 1.548 20 30 EDEDLO N#CCCN(CCC#N)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442947603 446995817 /nfs/dbraw/zinc/99/58/17/446995817.db2.gz VFVQWLXTFRREGJ-UHFFFAOYSA-N 1 2 343.412 1.749 20 30 EDEDLO N#Cc1cccc(-c2nnc(CN3CCN(Cc4[nH]cc[nH+]4)CC3)o2)c1 ZINC000444128773 447076149 /nfs/dbraw/zinc/07/61/49/447076149.db2.gz HCOGBMQMQICRNG-UHFFFAOYSA-N 1 2 349.398 1.649 20 30 EDEDLO CCOC1CC(CNc2ncc(C#N)cc2F)([NH+]2CCOCC2)C1 ZINC000413259299 447098363 /nfs/dbraw/zinc/09/83/63/447098363.db2.gz GGDNXNAOOMFDRH-UHFFFAOYSA-N 1 2 334.395 1.774 20 30 EDEDLO CC#CCCNC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000444959025 447149780 /nfs/dbraw/zinc/14/97/80/447149780.db2.gz OIAANRVOXTUBBN-UHFFFAOYSA-N 1 2 342.443 1.886 20 30 EDEDLO Cc1c(Cl)c(CN(CCC#N)CC[NH+]2CCOCC2)nn1C ZINC000421329918 447132491 /nfs/dbraw/zinc/13/24/91/447132491.db2.gz PCDMBSRKDLOBLW-UHFFFAOYSA-N 1 2 325.844 1.430 20 30 EDEDLO C=CC[C@H](CO)NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455861110 447244370 /nfs/dbraw/zinc/24/43/70/447244370.db2.gz GDAXROMMJOVIKM-SECBINFHSA-N 1 2 343.225 1.969 20 30 EDEDLO C=CCn1nnnc1SCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421830341 447262653 /nfs/dbraw/zinc/26/26/53/447262653.db2.gz BIGVPUYUHCURCM-UHFFFAOYSA-N 1 2 331.445 1.984 20 30 EDEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000447128482 447265643 /nfs/dbraw/zinc/26/56/43/447265643.db2.gz KRZYMMJVDBRYMJ-UHFFFAOYSA-N 1 2 329.747 1.389 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000459117756 447582667 /nfs/dbraw/zinc/58/26/67/447582667.db2.gz KJLHWJLJALUDEL-ZDUSSCGKSA-N 1 2 334.395 1.559 20 30 EDEDLO C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)C[C@@H]1n1cc[nH+]c1 ZINC000422483431 447587149 /nfs/dbraw/zinc/58/71/49/447587149.db2.gz XJDUIIJXZAXWSR-KBPBESRZSA-N 1 2 331.420 1.349 20 30 EDEDLO CC(C)[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000459381642 447648717 /nfs/dbraw/zinc/64/87/17/447648717.db2.gz CYKAUNYGTZQCRI-INIZCTEOSA-N 1 2 346.387 1.439 20 30 EDEDLO C[C@@H]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC000459184357 447607320 /nfs/dbraw/zinc/60/73/20/447607320.db2.gz XXNWJHWXQTUJPW-CRAIPNDOSA-N 1 2 342.443 1.953 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000450896747 447607723 /nfs/dbraw/zinc/60/77/23/447607723.db2.gz OHNAYWWBRCUVSF-LBPRGKRZSA-N 1 2 327.344 1.465 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1 ZINC000450896747 447607732 /nfs/dbraw/zinc/60/77/32/447607732.db2.gz OHNAYWWBRCUVSF-LBPRGKRZSA-N 1 2 327.344 1.465 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)cc1 ZINC000450896747 447607738 /nfs/dbraw/zinc/60/77/38/447607738.db2.gz OHNAYWWBRCUVSF-LBPRGKRZSA-N 1 2 327.344 1.465 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)cc1 ZINC000450896747 447607744 /nfs/dbraw/zinc/60/77/44/447607744.db2.gz OHNAYWWBRCUVSF-LBPRGKRZSA-N 1 2 327.344 1.465 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCn2c[nH+]cc2C1 ZINC000496065565 447702442 /nfs/dbraw/zinc/70/24/42/447702442.db2.gz COPWATMXUIUZJG-AWEZNQCLSA-N 1 2 347.419 1.812 20 30 EDEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000408396995 447658027 /nfs/dbraw/zinc/65/80/27/447658027.db2.gz WDPNRHPWPOMBHH-LSDHHAIUSA-N 1 2 343.493 1.177 20 30 EDEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000408396995 447658030 /nfs/dbraw/zinc/65/80/30/447658030.db2.gz WDPNRHPWPOMBHH-LSDHHAIUSA-N 1 2 343.493 1.177 20 30 EDEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000451878404 447771440 /nfs/dbraw/zinc/77/14/40/447771440.db2.gz HGCJOELTYDHMIK-GFCCVEGCSA-N 1 2 332.370 1.365 20 30 EDEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000451878404 447771444 /nfs/dbraw/zinc/77/14/44/447771444.db2.gz HGCJOELTYDHMIK-GFCCVEGCSA-N 1 2 332.370 1.365 20 30 EDEDLO C=CCN1CC[C@H]([NH2+][C@@H](C)c2ncc(Br)cn2)C1=O ZINC000431110886 447792013 /nfs/dbraw/zinc/79/20/13/447792013.db2.gz ISMWNBUYPQALQY-ONGXEEELSA-N 1 2 325.210 1.677 20 30 EDEDLO CC[N@H+](CC#N)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000496685351 447848159 /nfs/dbraw/zinc/84/81/59/447848159.db2.gz NUPSZQTZYWAWFU-CQSZACIVSA-N 1 2 338.452 1.595 20 30 EDEDLO CC[N@@H+](CC#N)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000496685351 447848160 /nfs/dbraw/zinc/84/81/60/447848160.db2.gz NUPSZQTZYWAWFU-CQSZACIVSA-N 1 2 338.452 1.595 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1)C1CC1 ZINC000550174936 447887065 /nfs/dbraw/zinc/88/70/65/447887065.db2.gz XDBFNONLZAMHPK-OCCSQVGLSA-N 1 2 333.354 1.838 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1)C1CC1 ZINC000550174936 447887068 /nfs/dbraw/zinc/88/70/68/447887068.db2.gz XDBFNONLZAMHPK-OCCSQVGLSA-N 1 2 333.354 1.838 20 30 EDEDLO N#CCC(=O)N1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000575811751 447905190 /nfs/dbraw/zinc/90/51/90/447905190.db2.gz DKAIQQLQFWPTPK-UHFFFAOYSA-N 1 2 342.443 1.077 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2c(Cl)ncnc2N(C)C)CC1 ZINC000491191443 447950438 /nfs/dbraw/zinc/95/04/38/447950438.db2.gz DISIPKSNHGDSMS-UHFFFAOYSA-N 1 2 335.839 1.157 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCO2)CC1 ZINC000491203199 447955110 /nfs/dbraw/zinc/95/51/10/447955110.db2.gz UBOKLCFBSXRCIN-QGZVFWFLSA-N 1 2 343.475 1.870 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000530778529 447956088 /nfs/dbraw/zinc/95/60/88/447956088.db2.gz ANPUVARTCMHIIP-INIZCTEOSA-N 1 2 342.443 1.825 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1nnc2n1CCC2 ZINC000530778529 447956094 /nfs/dbraw/zinc/95/60/94/447956094.db2.gz ANPUVARTCMHIIP-INIZCTEOSA-N 1 2 342.443 1.825 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000491153856 447939082 /nfs/dbraw/zinc/93/90/82/447939082.db2.gz DNDUHXSYVHJSQJ-AWEZNQCLSA-N 1 2 344.463 1.701 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000491253890 447973714 /nfs/dbraw/zinc/97/37/14/447973714.db2.gz PXEBEORYAAUDDA-OAHLLOKOSA-N 1 2 329.425 1.737 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3C(=O)NC3CC3)o2)c1 ZINC000525784700 448025675 /nfs/dbraw/zinc/02/56/75/448025675.db2.gz FDTBXYWCLKJGKI-HNNXBMFYSA-N 1 2 337.383 1.851 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3C(=O)NC3CC3)o2)c1 ZINC000525784700 448025681 /nfs/dbraw/zinc/02/56/81/448025681.db2.gz FDTBXYWCLKJGKI-HNNXBMFYSA-N 1 2 337.383 1.851 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(C)C ZINC000491711445 448085449 /nfs/dbraw/zinc/08/54/49/448085449.db2.gz UTPSVXQKCDPUIK-HRCADAONSA-N 1 2 335.427 1.290 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(C)C ZINC000491711445 448085455 /nfs/dbraw/zinc/08/54/55/448085455.db2.gz UTPSVXQKCDPUIK-HRCADAONSA-N 1 2 335.427 1.290 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000555948309 448098778 /nfs/dbraw/zinc/09/87/78/448098778.db2.gz HEBVNWJASIKTNB-UHFFFAOYSA-N 1 2 344.463 1.577 20 30 EDEDLO C[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)NCc1cccc(C#N)c1 ZINC000496996348 448107775 /nfs/dbraw/zinc/10/77/75/448107775.db2.gz HGPYJGRQROZLKK-UHFFFAOYSA-N 1 2 346.431 1.631 20 30 EDEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)NCc1cccc(C#N)c1 ZINC000496996348 448107779 /nfs/dbraw/zinc/10/77/79/448107779.db2.gz HGPYJGRQROZLKK-UHFFFAOYSA-N 1 2 346.431 1.631 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000491794815 448127133 /nfs/dbraw/zinc/12/71/33/448127133.db2.gz SUGKGQVBNREZAN-QGZVFWFLSA-N 1 2 331.460 1.407 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000491794815 448127138 /nfs/dbraw/zinc/12/71/38/448127138.db2.gz SUGKGQVBNREZAN-QGZVFWFLSA-N 1 2 331.460 1.407 20 30 EDEDLO C[C@@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[NH+]1CC(C)C1 ZINC000514613604 448174816 /nfs/dbraw/zinc/17/48/16/448174816.db2.gz KUXCRDXGWLFCMN-LBPRGKRZSA-N 1 2 327.363 2.162 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000571857085 448217078 /nfs/dbraw/zinc/21/70/78/448217078.db2.gz JXUGGHONYYKQEG-BZUAXINKSA-N 1 2 332.448 1.986 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)nc1 ZINC000577339519 448267461 /nfs/dbraw/zinc/26/74/61/448267461.db2.gz CWOQOGRYKVPWAW-UHFFFAOYSA-N 1 2 327.432 1.083 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)nc1 ZINC000577339519 448267465 /nfs/dbraw/zinc/26/74/65/448267465.db2.gz CWOQOGRYKVPWAW-UHFFFAOYSA-N 1 2 327.432 1.083 20 30 EDEDLO C[C@@H](NS(=O)(=O)CCC#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562544246 448258998 /nfs/dbraw/zinc/25/89/98/448258998.db2.gz WOSWMYLFQYQWFG-GDBMZVCRSA-N 1 2 337.445 1.109 20 30 EDEDLO C[C@@H](NS(=O)(=O)CCC#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562544246 448259002 /nfs/dbraw/zinc/25/90/02/448259002.db2.gz WOSWMYLFQYQWFG-GDBMZVCRSA-N 1 2 337.445 1.109 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000565052305 448353470 /nfs/dbraw/zinc/35/34/70/448353470.db2.gz XIYCRGSHGOBPGX-INIZCTEOSA-N 1 2 342.359 1.354 20 30 EDEDLO C=C1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 ZINC000532958659 448336582 /nfs/dbraw/zinc/33/65/82/448336582.db2.gz WDTSWYHIVUCFNO-CYBMUJFWSA-N 1 2 349.456 1.264 20 30 EDEDLO Cc1cccc(NC(=O)CSCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000584056055 448469882 /nfs/dbraw/zinc/46/98/82/448469882.db2.gz CEQLHTLAXCMUSN-QGZVFWFLSA-N 1 2 348.472 1.627 20 30 EDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000578163424 448475241 /nfs/dbraw/zinc/47/52/41/448475241.db2.gz NMFLZOXSYDOKLR-DLBZAZTESA-N 1 2 325.412 1.643 20 30 EDEDLO CC(=O)NCC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000584527939 448558336 /nfs/dbraw/zinc/55/83/36/448558336.db2.gz QBIBWFXABBRSLX-UHFFFAOYSA-N 1 2 330.432 1.618 20 30 EDEDLO CC(=O)NCC[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000584527939 448558339 /nfs/dbraw/zinc/55/83/39/448558339.db2.gz QBIBWFXABBRSLX-UHFFFAOYSA-N 1 2 330.432 1.618 20 30 EDEDLO COC[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000528473500 448542915 /nfs/dbraw/zinc/54/29/15/448542915.db2.gz ONEYBNBDFHTSHM-GJZGRUSLSA-N 1 2 342.395 1.022 20 30 EDEDLO COC[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000528473500 448542918 /nfs/dbraw/zinc/54/29/18/448542918.db2.gz ONEYBNBDFHTSHM-GJZGRUSLSA-N 1 2 342.395 1.022 20 30 EDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528549224 448582137 /nfs/dbraw/zinc/58/21/37/448582137.db2.gz BTIHCDCQLHMNGO-UXIGCNINSA-N 1 2 344.333 1.950 20 30 EDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528549224 448582146 /nfs/dbraw/zinc/58/21/46/448582146.db2.gz BTIHCDCQLHMNGO-UXIGCNINSA-N 1 2 344.333 1.950 20 30 EDEDLO Cc1cc(NCc2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c[nH+]1 ZINC000567263324 448652827 /nfs/dbraw/zinc/65/28/27/448652827.db2.gz AGLWIYILRUCQQI-UHFFFAOYSA-N 1 2 336.395 1.768 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130038 448699147 /nfs/dbraw/zinc/69/91/47/448699147.db2.gz LNJJHCOWYQHYMP-VNHYZAJKSA-N 1 2 328.407 1.455 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130038 448699152 /nfs/dbraw/zinc/69/91/52/448699152.db2.gz LNJJHCOWYQHYMP-VNHYZAJKSA-N 1 2 328.407 1.455 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147278 448707107 /nfs/dbraw/zinc/70/71/07/448707107.db2.gz NDWJYHKYVJYMMR-SJCJKPOMSA-N 1 2 331.372 1.135 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147278 448707109 /nfs/dbraw/zinc/70/71/09/448707109.db2.gz NDWJYHKYVJYMMR-SJCJKPOMSA-N 1 2 331.372 1.135 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592147273 448707418 /nfs/dbraw/zinc/70/74/18/448707418.db2.gz MYUYZYRTZQHUMT-GOSISDBHSA-N 1 2 347.415 1.013 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1OC ZINC000592147273 448707426 /nfs/dbraw/zinc/70/74/26/448707426.db2.gz MYUYZYRTZQHUMT-GOSISDBHSA-N 1 2 347.415 1.013 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c([N+](=O)[O-])c1 ZINC000592149013 448708382 /nfs/dbraw/zinc/70/83/82/448708382.db2.gz GWILDMRDDYQBRI-BZNIZROVSA-N 1 2 348.359 1.281 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c([N+](=O)[O-])c1 ZINC000592149013 448708385 /nfs/dbraw/zinc/70/83/85/448708385.db2.gz GWILDMRDDYQBRI-BZNIZROVSA-N 1 2 348.359 1.281 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000592151326 448712108 /nfs/dbraw/zinc/71/21/08/448712108.db2.gz LSWRFKHWXSAKSR-HNNXBMFYSA-N 1 2 335.770 1.910 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000592151326 448712110 /nfs/dbraw/zinc/71/21/10/448712110.db2.gz LSWRFKHWXSAKSR-HNNXBMFYSA-N 1 2 335.770 1.910 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528789034 448678159 /nfs/dbraw/zinc/67/81/59/448678159.db2.gz RXVNXQYDEVRZPB-OMENVMGJSA-N 1 2 331.441 1.871 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528789034 448678164 /nfs/dbraw/zinc/67/81/64/448678164.db2.gz RXVNXQYDEVRZPB-OMENVMGJSA-N 1 2 331.441 1.871 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)NCc2ccc(CC#N)cc2)CCO1 ZINC000519147813 448747344 /nfs/dbraw/zinc/74/73/44/448747344.db2.gz WUDHOQJDLPWDFH-UHFFFAOYSA-N 1 2 330.432 1.663 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)NCc2ccc(CC#N)cc2)CCO1 ZINC000519147813 448747347 /nfs/dbraw/zinc/74/73/47/448747347.db2.gz WUDHOQJDLPWDFH-UHFFFAOYSA-N 1 2 330.432 1.663 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cn4c(n3)CCC4)CC2)cc1 ZINC000579477444 448804395 /nfs/dbraw/zinc/80/43/95/448804395.db2.gz FETDUUWTYPUEID-UHFFFAOYSA-N 1 2 335.411 1.659 20 30 EDEDLO COCc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000529212326 448792378 /nfs/dbraw/zinc/79/23/78/448792378.db2.gz YRGIWTAYTXEIBS-CALCHBBNSA-N 1 2 344.415 1.689 20 30 EDEDLO COCc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000529212326 448792382 /nfs/dbraw/zinc/79/23/82/448792382.db2.gz YRGIWTAYTXEIBS-CALCHBBNSA-N 1 2 344.415 1.689 20 30 EDEDLO N#C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CCc2ccccc2C1 ZINC000547781074 448927200 /nfs/dbraw/zinc/92/72/00/448927200.db2.gz PLCKYYDOMLUGGB-IBGZPJMESA-N 1 2 344.378 1.843 20 30 EDEDLO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000569422652 449021794 /nfs/dbraw/zinc/02/17/94/449021794.db2.gz LVYSYBVXLMRQDI-CQSZACIVSA-N 1 2 345.369 1.565 20 30 EDEDLO C[N@@H+]1CCc2c(cccc2NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000589551186 449031709 /nfs/dbraw/zinc/03/17/09/449031709.db2.gz NMNKOEKLTINDPX-UHFFFAOYSA-N 1 2 328.397 1.742 20 30 EDEDLO C[N@H+]1CCc2c(cccc2NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000589551186 449031715 /nfs/dbraw/zinc/03/17/15/449031715.db2.gz NMNKOEKLTINDPX-UHFFFAOYSA-N 1 2 328.397 1.742 20 30 EDEDLO CCc1nnc(C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)[nH]1 ZINC000575182598 449057019 /nfs/dbraw/zinc/05/70/19/449057019.db2.gz DCLMUDGPZSDSDL-GFCCVEGCSA-N 1 2 330.436 1.497 20 30 EDEDLO CCc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)n1 ZINC000575182598 449057027 /nfs/dbraw/zinc/05/70/27/449057027.db2.gz DCLMUDGPZSDSDL-GFCCVEGCSA-N 1 2 330.436 1.497 20 30 EDEDLO CCc1nc(C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)n[nH]1 ZINC000575182598 449057033 /nfs/dbraw/zinc/05/70/33/449057033.db2.gz DCLMUDGPZSDSDL-GFCCVEGCSA-N 1 2 330.436 1.497 20 30 EDEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000593057936 449117148 /nfs/dbraw/zinc/11/71/48/449117148.db2.gz YNQSZMRJYJWZGL-OAHLLOKOSA-N 1 2 336.461 1.331 20 30 EDEDLO N#CC1(CC(=O)NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000590248940 449120517 /nfs/dbraw/zinc/12/05/17/449120517.db2.gz VDTGWLXZPONSCQ-UHFFFAOYSA-N 1 2 346.475 1.521 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COCc1nc2ccccc2s1 ZINC000593155653 449154291 /nfs/dbraw/zinc/15/42/91/449154291.db2.gz OEBSKEZGOWGTRN-INIZCTEOSA-N 1 2 332.429 1.773 20 30 EDEDLO N#CC[C@H]1CCCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000597910352 449140428 /nfs/dbraw/zinc/14/04/28/449140428.db2.gz ZNEMNQQCJOZMBI-MRXNPFEDSA-N 1 2 327.432 1.356 20 30 EDEDLO CN1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](Cc2ccccc2)C1 ZINC000593680239 449144484 /nfs/dbraw/zinc/14/44/84/449144484.db2.gz VJICNURRUCUEHZ-IBGZPJMESA-N 1 2 346.438 1.960 20 30 EDEDLO CN1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@@H](Cc2ccccc2)C1 ZINC000593680239 449144488 /nfs/dbraw/zinc/14/44/88/449144488.db2.gz VJICNURRUCUEHZ-IBGZPJMESA-N 1 2 346.438 1.960 20 30 EDEDLO C[C@@]1(C#N)CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000595834177 449198269 /nfs/dbraw/zinc/19/82/69/449198269.db2.gz HKTHTWQXYCCBNS-KRWDZBQOSA-N 1 2 332.473 1.628 20 30 EDEDLO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174352 449200753 /nfs/dbraw/zinc/20/07/53/449200753.db2.gz CLPNVGSCGZTIRG-AWEZNQCLSA-N 1 2 334.851 1.876 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822041 449184915 /nfs/dbraw/zinc/18/49/15/449184915.db2.gz LNRARLCLJOYUIH-UHFFFAOYSA-N 1 2 330.432 1.533 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822041 449184926 /nfs/dbraw/zinc/18/49/26/449184926.db2.gz LNRARLCLJOYUIH-UHFFFAOYSA-N 1 2 330.432 1.533 20 30 EDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000611235315 449231443 /nfs/dbraw/zinc/23/14/43/449231443.db2.gz PXHHQHPKDMZSNK-UHFFFAOYSA-N 1 2 328.416 1.900 20 30 EDEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000593846784 449234549 /nfs/dbraw/zinc/23/45/49/449234549.db2.gz WVINOEVYTFJOKQ-LLVKDONJSA-N 1 2 329.429 2.119 20 30 EDEDLO N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)c1 ZINC000604496604 449239442 /nfs/dbraw/zinc/23/94/42/449239442.db2.gz CDECMYUJASGYRM-HNNXBMFYSA-N 1 2 336.399 1.061 20 30 EDEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)o1 ZINC000600213613 449247093 /nfs/dbraw/zinc/24/70/93/449247093.db2.gz XCTDKSGKLXMNQY-UHFFFAOYSA-N 1 2 327.340 1.993 20 30 EDEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)o1 ZINC000600213613 449247101 /nfs/dbraw/zinc/24/71/01/449247101.db2.gz XCTDKSGKLXMNQY-UHFFFAOYSA-N 1 2 327.340 1.993 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601970845 449252977 /nfs/dbraw/zinc/25/29/77/449252977.db2.gz QNTZHIBZAHPBCZ-CZUORRHYSA-N 1 2 328.416 1.828 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601970845 449252980 /nfs/dbraw/zinc/25/29/80/449252980.db2.gz QNTZHIBZAHPBCZ-CZUORRHYSA-N 1 2 328.416 1.828 20 30 EDEDLO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(F)cc(C#N)c2)c2[nH+]ccn21 ZINC000602056236 449306907 /nfs/dbraw/zinc/30/69/07/449306907.db2.gz FFJMDMIZZOAZFC-NOZJJQNGSA-N 1 2 327.319 1.655 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3ccncc3)C2)nc1 ZINC000593987061 449313130 /nfs/dbraw/zinc/31/31/30/449313130.db2.gz FODQQYCUNJLNLY-INIZCTEOSA-N 1 2 342.424 1.611 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3ccncc3)C2)nc1 ZINC000593987061 449313136 /nfs/dbraw/zinc/31/31/36/449313136.db2.gz FODQQYCUNJLNLY-INIZCTEOSA-N 1 2 342.424 1.611 20 30 EDEDLO CC[C@@H](C#N)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000593425019 449278022 /nfs/dbraw/zinc/27/80/22/449278022.db2.gz XBRVFGBDQAIDPX-HNNXBMFYSA-N 1 2 331.416 1.564 20 30 EDEDLO CCC[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000598343091 449357817 /nfs/dbraw/zinc/35/78/17/449357817.db2.gz SCUGQORWPRZBHL-MRXNPFEDSA-N 1 2 349.456 1.074 20 30 EDEDLO CCC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000598343091 449357820 /nfs/dbraw/zinc/35/78/20/449357820.db2.gz SCUGQORWPRZBHL-MRXNPFEDSA-N 1 2 349.456 1.074 20 30 EDEDLO COCCN(CCC#N)C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000602091625 449337595 /nfs/dbraw/zinc/33/75/95/449337595.db2.gz MKGULSHFQBSMFN-QGZVFWFLSA-N 1 2 331.416 1.658 20 30 EDEDLO COCCN(CCC#N)C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000602091625 449337597 /nfs/dbraw/zinc/33/75/97/449337597.db2.gz MKGULSHFQBSMFN-QGZVFWFLSA-N 1 2 331.416 1.658 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1C#N ZINC000602169735 449401139 /nfs/dbraw/zinc/40/11/39/449401139.db2.gz GZJHZPGMBMRHIE-VXGBXAGGSA-N 1 2 334.445 1.839 20 30 EDEDLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)CC2(C#N)CC2)C1 ZINC000598503218 449429922 /nfs/dbraw/zinc/42/99/22/449429922.db2.gz XYORYQYYUBHIJY-KRWDZBQOSA-N 1 2 326.444 1.613 20 30 EDEDLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CC2(C#N)CC2)C1 ZINC000598503218 449429926 /nfs/dbraw/zinc/42/99/26/449429926.db2.gz XYORYQYYUBHIJY-KRWDZBQOSA-N 1 2 326.444 1.613 20 30 EDEDLO COCCOCC[NH+]1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596291675 449459909 /nfs/dbraw/zinc/45/99/09/449459909.db2.gz MTHVOSMPSRTJBC-UHFFFAOYSA-N 1 2 330.841 1.453 20 30 EDEDLO Cc1cc(NCCNC(=O)N2CC[C@](C)(C#N)C2)nc(C(C)C)[nH+]1 ZINC000602356493 449538153 /nfs/dbraw/zinc/53/81/53/449538153.db2.gz CRTQTXXXWSQNIF-QGZVFWFLSA-N 1 2 330.436 2.266 20 30 EDEDLO Cc1cc(C(=O)N2CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C)C2)n[nH]1 ZINC000598619875 449496911 /nfs/dbraw/zinc/49/69/11/449496911.db2.gz IETBOEFTJUCXFF-ZIAGYGMSSA-N 1 2 333.436 1.165 20 30 EDEDLO Cc1cc(C(=O)N2CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C)C2)n[nH]1 ZINC000598619875 449496913 /nfs/dbraw/zinc/49/69/13/449496913.db2.gz IETBOEFTJUCXFF-ZIAGYGMSSA-N 1 2 333.436 1.165 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000602333784 449522083 /nfs/dbraw/zinc/52/20/83/449522083.db2.gz PMKTXJZGZGKIOD-CQSZACIVSA-N 1 2 343.353 1.812 20 30 EDEDLO Cn1ncc2c1CC(C)(C)C[N@@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)C2 ZINC000596598280 449568012 /nfs/dbraw/zinc/56/80/12/449568012.db2.gz KCGZLNYWQMVSSI-QGZVFWFLSA-N 1 2 337.427 1.903 20 30 EDEDLO Cn1ncc2c1CC(C)(C)C[N@H+]([C@@H](C(N)=O)c1ccc(C#N)cc1)C2 ZINC000596598280 449568017 /nfs/dbraw/zinc/56/80/17/449568017.db2.gz KCGZLNYWQMVSSI-QGZVFWFLSA-N 1 2 337.427 1.903 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)on1 ZINC000602435800 449584862 /nfs/dbraw/zinc/58/48/62/449584862.db2.gz KTMFVLPKPYWVBQ-UHFFFAOYSA-N 1 2 327.344 1.050 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccnn1CCc1ccccc1 ZINC000598837572 449614992 /nfs/dbraw/zinc/61/49/92/449614992.db2.gz XAJDIYXAUJAZAX-GOSISDBHSA-N 1 2 325.416 1.699 20 30 EDEDLO COC1CC[NH+](Cc2cn(Cc3ccc(C#N)cc3F)nn2)CC1 ZINC000600968704 449621271 /nfs/dbraw/zinc/62/12/71/449621271.db2.gz YRQKPPQGBIPRJC-UHFFFAOYSA-N 1 2 329.379 1.948 20 30 EDEDLO N#Cc1cccc(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)n1 ZINC000602477082 449622689 /nfs/dbraw/zinc/62/26/89/449622689.db2.gz PXPSOVIODGAZBW-KRWDZBQOSA-N 1 2 328.416 1.557 20 30 EDEDLO N#Cc1cccc(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)n1 ZINC000602477082 449622692 /nfs/dbraw/zinc/62/26/92/449622692.db2.gz PXPSOVIODGAZBW-KRWDZBQOSA-N 1 2 328.416 1.557 20 30 EDEDLO N#CC1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC2(CC2)C1 ZINC000601163519 449727081 /nfs/dbraw/zinc/72/70/81/449727081.db2.gz ITXYMEKLNREPRC-UHFFFAOYSA-N 1 2 344.459 1.227 20 30 EDEDLO N#CC1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC2(CC2)C1 ZINC000601163519 449727086 /nfs/dbraw/zinc/72/70/86/449727086.db2.gz ITXYMEKLNREPRC-UHFFFAOYSA-N 1 2 344.459 1.227 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+]([C@@H]3CCN(C4CCC4)C3=O)CC2)c1 ZINC000602762460 449789702 /nfs/dbraw/zinc/78/97/02/449789702.db2.gz ISAABBUTPFCZAB-MRXNPFEDSA-N 1 2 325.416 1.229 20 30 EDEDLO CCOC(=O)[C@]1(C)CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000602749293 449782657 /nfs/dbraw/zinc/78/26/57/449782657.db2.gz UKPZMEADHDJLGH-KRWDZBQOSA-N 1 2 328.372 1.360 20 30 EDEDLO COc1cncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000599249730 449831279 /nfs/dbraw/zinc/83/12/79/449831279.db2.gz FXTLZOJKQCBMKJ-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000599193648 449790317 /nfs/dbraw/zinc/79/03/17/449790317.db2.gz NEXBPALEEINYLO-GOSISDBHSA-N 1 2 340.427 1.688 20 30 EDEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000599193648 449790321 /nfs/dbraw/zinc/79/03/21/449790321.db2.gz NEXBPALEEINYLO-GOSISDBHSA-N 1 2 340.427 1.688 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)NC2C3CC4CC(C3)CC2C4)C[C@H](C)N1CC#N ZINC000602857496 449866126 /nfs/dbraw/zinc/86/61/26/449866126.db2.gz RVJSKJSZDSANEE-BZYXJNRLSA-N 1 2 344.503 1.845 20 30 EDEDLO COC[C@@]1(C(=O)OC)CCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000597222188 449880525 /nfs/dbraw/zinc/88/05/25/449880525.db2.gz VRWGZHCEBFGLTR-QGZVFWFLSA-N 1 2 328.372 1.360 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000601400247 449915680 /nfs/dbraw/zinc/91/56/80/449915680.db2.gz XIZMUPSXFJSPJB-LBPRGKRZSA-N 1 2 348.403 1.743 20 30 EDEDLO Cc1cc(NC(=O)C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n(C)n1 ZINC000602913088 449916887 /nfs/dbraw/zinc/91/68/87/449916887.db2.gz SFGXPFOLTDZSBE-UHFFFAOYSA-N 1 2 338.415 1.813 20 30 EDEDLO CC1(C)[C@H](NS(=O)(=O)CCCCC#N)C[C@H]1[NH+]1CCOCC1 ZINC000601451830 449975475 /nfs/dbraw/zinc/97/54/75/449975475.db2.gz AWVNMWRJCMUVFH-ZIAGYGMSSA-N 1 2 329.466 1.099 20 30 EDEDLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1ccccc1C#N ZINC000601453645 449977203 /nfs/dbraw/zinc/97/72/03/449977203.db2.gz VVZYXOXIEZXYJF-JKSUJKDBSA-N 1 2 349.456 1.336 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC000603003463 449999268 /nfs/dbraw/zinc/99/92/68/449999268.db2.gz ZKZHBICBZXIKEN-RHSMWYFYSA-N 1 2 326.437 1.454 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC000603003463 449999272 /nfs/dbraw/zinc/99/92/72/449999272.db2.gz ZKZHBICBZXIKEN-RHSMWYFYSA-N 1 2 326.437 1.454 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1cc2ccccc2n1CC#N ZINC000609311447 450003057 /nfs/dbraw/zinc/00/30/57/450003057.db2.gz FJUIKZLZUNHASP-HNNXBMFYSA-N 1 2 339.443 1.531 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccccc2CC#N)C1 ZINC000601496912 450016058 /nfs/dbraw/zinc/01/60/58/450016058.db2.gz YZUGFDNAPBMYKR-INIZCTEOSA-N 1 2 335.411 1.889 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccccc2CC#N)C1 ZINC000601496912 450016062 /nfs/dbraw/zinc/01/60/62/450016062.db2.gz YZUGFDNAPBMYKR-INIZCTEOSA-N 1 2 335.411 1.889 20 30 EDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597511514 450073017 /nfs/dbraw/zinc/07/30/17/450073017.db2.gz NNVSETREWVNXNT-CYBMUJFWSA-N 1 2 347.382 1.914 20 30 EDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597511514 450073022 /nfs/dbraw/zinc/07/30/22/450073022.db2.gz NNVSETREWVNXNT-CYBMUJFWSA-N 1 2 347.382 1.914 20 30 EDEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000613130205 450039496 /nfs/dbraw/zinc/03/94/96/450039496.db2.gz ABHRICMECSBPAG-UONOGXRCSA-N 1 2 331.313 1.931 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000599525581 450043140 /nfs/dbraw/zinc/04/31/40/450043140.db2.gz KYVGZPZHHSMDRB-ZDUSSCGKSA-N 1 2 329.448 1.893 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000599525581 450043147 /nfs/dbraw/zinc/04/31/47/450043147.db2.gz KYVGZPZHHSMDRB-ZDUSSCGKSA-N 1 2 329.448 1.893 20 30 EDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000599586796 450087194 /nfs/dbraw/zinc/08/71/94/450087194.db2.gz FGTRTBDKZFVSKY-HZPDHXFCSA-N 1 2 330.384 1.679 20 30 EDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000599586796 450087197 /nfs/dbraw/zinc/08/71/97/450087197.db2.gz FGTRTBDKZFVSKY-HZPDHXFCSA-N 1 2 330.384 1.679 20 30 EDEDLO COCC[N@H+](C)Cc1cn([C@H](C)C(=O)Nc2cccc(C#N)c2)nn1 ZINC000603173092 450111513 /nfs/dbraw/zinc/11/15/13/450111513.db2.gz LSLIOTJNIJGVDT-CYBMUJFWSA-N 1 2 342.403 1.428 20 30 EDEDLO COCC[N@@H+](C)Cc1cn([C@H](C)C(=O)Nc2cccc(C#N)c2)nn1 ZINC000603173092 450111516 /nfs/dbraw/zinc/11/15/16/450111516.db2.gz LSLIOTJNIJGVDT-CYBMUJFWSA-N 1 2 342.403 1.428 20 30 EDEDLO N#Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)[C@@H]2CCSC2)[nH]1 ZINC000597680608 450192088 /nfs/dbraw/zinc/19/20/88/450192088.db2.gz XQKZDLBNFZKCRN-CQSZACIVSA-N 1 2 334.445 1.166 20 30 EDEDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000601732132 450196194 /nfs/dbraw/zinc/19/61/94/450196194.db2.gz AIAGMDFBMPDMRM-INIZCTEOSA-N 1 2 331.391 1.518 20 30 EDEDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000601732132 450196200 /nfs/dbraw/zinc/19/62/00/450196200.db2.gz AIAGMDFBMPDMRM-INIZCTEOSA-N 1 2 331.391 1.518 20 30 EDEDLO C=C[C@](C)(O)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000613745902 450293862 /nfs/dbraw/zinc/29/38/62/450293862.db2.gz PXEHXJOADYUBIH-KDOFPFPSSA-N 1 2 331.416 1.599 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618810671 450307630 /nfs/dbraw/zinc/30/76/30/450307630.db2.gz CKTXMZMYSVAMQP-CXAGYDPISA-N 1 2 328.416 1.565 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618810671 450307633 /nfs/dbraw/zinc/30/76/33/450307633.db2.gz CKTXMZMYSVAMQP-CXAGYDPISA-N 1 2 328.416 1.565 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000603876595 450363219 /nfs/dbraw/zinc/36/32/19/450363219.db2.gz IHXATPPCNOXMJL-OAHLLOKOSA-N 1 2 336.480 1.717 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000603876595 450363225 /nfs/dbraw/zinc/36/32/25/450363225.db2.gz IHXATPPCNOXMJL-OAHLLOKOSA-N 1 2 336.480 1.717 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000626370475 450708138 /nfs/dbraw/zinc/70/81/38/450708138.db2.gz NXGSYRUZPNSTCZ-BPUTZDHNSA-N 1 2 348.447 1.570 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nn1 ZINC000640833252 451619390 /nfs/dbraw/zinc/61/93/90/451619390.db2.gz JXGRGKKKNXZXCZ-KLZNWCGWSA-N 1 2 331.464 1.893 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COCc2ccc(Cl)cc2)nn1 ZINC000641197126 451776256 /nfs/dbraw/zinc/77/62/56/451776256.db2.gz DSNFQOLMJAHGSF-KRWDZBQOSA-N 1 2 348.834 1.622 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656074158 452839347 /nfs/dbraw/zinc/83/93/47/452839347.db2.gz WLFXITYXJRSAFA-IYBDPMFKSA-N 1 2 339.480 1.417 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656074158 452839355 /nfs/dbraw/zinc/83/93/55/452839355.db2.gz WLFXITYXJRSAFA-IYBDPMFKSA-N 1 2 339.480 1.417 20 30 EDEDLO C=CCn1cc(C(=O)NC2(c3noc(C[NH+](C)C)n3)CCCC2)nn1 ZINC000648289512 452976857 /nfs/dbraw/zinc/97/68/57/452976857.db2.gz QICSSLIJRHCWPN-UHFFFAOYSA-N 1 2 345.407 1.108 20 30 EDEDLO C=CCOCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000661007863 453678643 /nfs/dbraw/zinc/67/86/43/453678643.db2.gz QVUWXLRUIAWGEI-GOSISDBHSA-N 1 2 346.475 1.304 20 30 EDEDLO C=CCOCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000661007863 453678645 /nfs/dbraw/zinc/67/86/45/453678645.db2.gz QVUWXLRUIAWGEI-GOSISDBHSA-N 1 2 346.475 1.304 20 30 EDEDLO C=CCCn1cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nn1 ZINC000657292407 453758534 /nfs/dbraw/zinc/75/85/34/453758534.db2.gz JZYRPFDHRQFMPG-IBGZPJMESA-N 1 2 341.459 1.845 20 30 EDEDLO C=CCCn1cc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000657292407 453758537 /nfs/dbraw/zinc/75/85/37/453758537.db2.gz JZYRPFDHRQFMPG-IBGZPJMESA-N 1 2 341.459 1.845 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)nn1 ZINC000657311903 453764128 /nfs/dbraw/zinc/76/41/28/453764128.db2.gz YSUZVLYRTGTMNK-OAHLLOKOSA-N 1 2 342.447 1.764 20 30 EDEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000198110929 486703504 /nfs/dbraw/zinc/70/35/04/486703504.db2.gz UXYFQIOEQMKYRY-UHFFFAOYSA-N 1 2 325.368 1.874 20 30 EDEDLO C=C[C@](C)(O)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000667833821 486986277 /nfs/dbraw/zinc/98/62/77/486986277.db2.gz CQAPVQDSGPSMRM-SFHVURJKSA-N 1 2 344.415 1.313 20 30 EDEDLO C=CCOCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000679504099 487432991 /nfs/dbraw/zinc/43/29/91/487432991.db2.gz PGKRBOWRTIVVKL-SFHVURJKSA-N 1 2 347.459 1.870 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc(C#N)[nH]c2C)CC1 ZINC000449870338 486460585 /nfs/dbraw/zinc/46/05/85/486460585.db2.gz PRHRHFFYAGNDTI-UHFFFAOYSA-N 1 2 340.431 1.503 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173755142 534257332 /nfs/dbraw/zinc/25/73/32/534257332.db2.gz HDJISQAOZMWSCX-MRXNPFEDSA-N 1 2 349.456 1.352 20 30 EDEDLO N#CCOc1ccc(CC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000127291269 534691699 /nfs/dbraw/zinc/69/16/99/534691699.db2.gz XFZCEGMNCDMLJM-QGZVFWFLSA-N 1 2 329.400 1.111 20 30 EDEDLO N#CCOc1ccc(CC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000127291269 534691705 /nfs/dbraw/zinc/69/17/05/534691705.db2.gz XFZCEGMNCDMLJM-QGZVFWFLSA-N 1 2 329.400 1.111 20 30 EDEDLO C#CC[NH+]1CCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000154675003 526953507 /nfs/dbraw/zinc/95/35/07/526953507.db2.gz GRRWTUSWTUSYEJ-UHFFFAOYSA-N 1 2 343.387 1.045 20 30 EDEDLO CCSCC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000158387567 529179032 /nfs/dbraw/zinc/17/90/32/529179032.db2.gz OZXFZADZVZZRHO-UHFFFAOYSA-N 1 2 339.486 1.618 20 30 EDEDLO Cn1cc(N2CCC[C@H](O[NH+]=C(N)c3ccc(Cl)cc3)C2=O)cn1 ZINC000742353238 579449602 /nfs/dbraw/zinc/44/96/02/579449602.db2.gz WMEGKOXYDOPDHU-AWEZNQCLSA-N 1 2 347.806 1.906 20 30 EDEDLO C[C@@H](CNc1[nH+]cnc2c1cnn2CCC#N)CC1(C)OCCO1 ZINC000742409091 579451362 /nfs/dbraw/zinc/45/13/62/579451362.db2.gz QITSBWPCNKJYPB-GFCCVEGCSA-N 1 2 330.392 1.941 20 30 EDEDLO COCCOC1CC[NH+]([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000739913656 578369590 /nfs/dbraw/zinc/36/95/90/578369590.db2.gz DDUVUOZCLBACJI-KRWDZBQOSA-N 1 2 332.400 1.900 20 30 EDEDLO N#Cc1cccnc1NCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728746807 578551456 /nfs/dbraw/zinc/55/14/56/578551456.db2.gz OKOYIFRYCCBIJK-OAHLLOKOSA-N 1 2 339.403 1.608 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cn1 ZINC000729919806 578599300 /nfs/dbraw/zinc/59/93/00/578599300.db2.gz DMQSWCGFGUZPRK-UHFFFAOYSA-N 1 2 326.360 1.522 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccnc2ccccc12 ZINC000731314901 578673707 /nfs/dbraw/zinc/67/37/07/578673707.db2.gz PPHPOQZGUYGQHT-UHFFFAOYSA-N 1 2 343.456 1.365 20 30 EDEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2(C#N)CCCCC2)CC1 ZINC000731650963 578677622 /nfs/dbraw/zinc/67/76/22/578677622.db2.gz MYEKGGLFTOXESS-UHFFFAOYSA-N 1 2 341.477 1.086 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732809854 578730996 /nfs/dbraw/zinc/73/09/96/578730996.db2.gz HEQRPRDWFWYHTG-SMDDNHRTSA-N 1 2 348.369 1.136 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732809854 578730997 /nfs/dbraw/zinc/73/09/97/578730997.db2.gz HEQRPRDWFWYHTG-SMDDNHRTSA-N 1 2 348.369 1.136 20 30 EDEDLO CCN(CC)c1ccc(C=[NH+]NC(=S)NCC(=O)NC)cc1F ZINC000739410758 579202108 /nfs/dbraw/zinc/20/21/08/579202108.db2.gz ANILIPHHWYVZJE-UHFFFAOYSA-N 1 2 339.440 1.216 20 30 EDEDLO Fc1ccc2c(c1)C(=NNC(=S)NCC[NH+]1CCOCC1)CC2 ZINC000748781879 579700259 /nfs/dbraw/zinc/70/02/59/579700259.db2.gz DEGZWIBKOHPFTO-UHFFFAOYSA-N 1 2 336.436 1.272 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000751435265 579806661 /nfs/dbraw/zinc/80/66/61/579806661.db2.gz MBAMGIIIELELEK-LBPRGKRZSA-N 1 2 338.205 1.184 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000751435265 579806662 /nfs/dbraw/zinc/80/66/62/579806662.db2.gz MBAMGIIIELELEK-LBPRGKRZSA-N 1 2 338.205 1.184 20 30 EDEDLO C#Cc1ccccc1C(C)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000753690321 579885123 /nfs/dbraw/zinc/88/51/23/579885123.db2.gz UIKUUHTUAPTZPV-UHFFFAOYSA-N 1 2 330.457 1.188 20 30 EDEDLO CC(CS(=O)(=O)c1ccccc1)N=NC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753933982 579891512 /nfs/dbraw/zinc/89/15/12/579891512.db2.gz DXVCALFOTTYGNE-GJZGRUSLSA-N 1 2 334.445 1.696 20 30 EDEDLO Cc1cccn2cc(CNc3cccc(S(N)(=O)=O)c3C#N)[nH+]c12 ZINC000755018254 579918291 /nfs/dbraw/zinc/91/82/91/579918291.db2.gz BEZOHGRQWDPFMV-UHFFFAOYSA-N 1 2 341.396 1.774 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C[C@H]1C[C@H]1c1ccccc1 ZINC000755499754 579928153 /nfs/dbraw/zinc/92/81/53/579928153.db2.gz STCDJWDURHBDHT-CVEARBPZSA-N 1 2 332.473 1.572 20 30 EDEDLO CC1(C)CC(=NNC(=S)NCC[NH+]2CCOCC2)C(C)(C)O1 ZINC000755878439 579937166 /nfs/dbraw/zinc/93/71/66/579937166.db2.gz ALDQDDCNCQKMJF-UHFFFAOYSA-N 1 2 328.482 1.116 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](C#N)C1 ZINC000757584755 579968428 /nfs/dbraw/zinc/96/84/28/579968428.db2.gz YSVSJQZUEXCDQC-KBPBESRZSA-N 1 2 347.419 1.539 20 30 EDEDLO C#CCNC(=S)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000758189264 579976432 /nfs/dbraw/zinc/97/64/32/579976432.db2.gz MVVCOGIZTZUGQX-UHFFFAOYSA-N 1 2 341.484 1.576 20 30 EDEDLO C#CCCCC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000759174472 580000207 /nfs/dbraw/zinc/00/02/07/580000207.db2.gz YTMDTMGTBLNGCI-UHFFFAOYSA-N 1 2 334.441 1.739 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN=Nc3nccc(N4CCOCC4)n3)n2c1 ZINC000762607983 580078884 /nfs/dbraw/zinc/07/88/84/580078884.db2.gz WGADTYQLXKUUCQ-UHFFFAOYSA-N 1 2 348.370 1.279 20 30 EDEDLO C#CCCCCC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000763034179 580090490 /nfs/dbraw/zinc/09/04/90/580090490.db2.gz HZBCCSHNBLTSRR-SFHVURJKSA-N 1 2 338.411 1.836 20 30 EDEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCN4C(=O)OCC[C@H]4C3)n2)cc1 ZINC000763316481 580097509 /nfs/dbraw/zinc/09/75/09/580097509.db2.gz YWCAJPROBJDDMO-INIZCTEOSA-N 1 2 337.383 1.906 20 30 EDEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCN4C(=O)OCC[C@H]4C3)n2)cc1 ZINC000763316481 580097510 /nfs/dbraw/zinc/09/75/10/580097510.db2.gz YWCAJPROBJDDMO-INIZCTEOSA-N 1 2 337.383 1.906 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OCC(F)(F)F)cn2)CC1 ZINC000764959210 580132033 /nfs/dbraw/zinc/13/20/33/580132033.db2.gz AITJNKFJSBEMAX-UHFFFAOYSA-N 1 2 327.306 1.414 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000765802825 580151678 /nfs/dbraw/zinc/15/16/78/580151678.db2.gz IDLNQFIJCGJAAV-GFCCVEGCSA-N 1 2 345.390 1.312 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000771443365 580286901 /nfs/dbraw/zinc/28/69/01/580286901.db2.gz LZFHSRYELMASMF-ZDUSSCGKSA-N 1 2 333.392 1.082 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000771443365 580286902 /nfs/dbraw/zinc/28/69/02/580286902.db2.gz LZFHSRYELMASMF-ZDUSSCGKSA-N 1 2 333.392 1.082 20 30 EDEDLO C[N@H+](CC(=O)OCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCSC1 ZINC000772047421 580301678 /nfs/dbraw/zinc/30/16/78/580301678.db2.gz MOEMELUXPVXWQW-CQSZACIVSA-N 1 2 333.413 1.477 20 30 EDEDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCSC1 ZINC000772047421 580301679 /nfs/dbraw/zinc/30/16/79/580301679.db2.gz MOEMELUXPVXWQW-CQSZACIVSA-N 1 2 333.413 1.477 20 30 EDEDLO C#CCOc1ccccc1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000773135111 580327944 /nfs/dbraw/zinc/32/79/44/580327944.db2.gz HYXXSVYBQDWTCM-UHFFFAOYSA-N 1 2 338.367 1.260 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CCCO1 ZINC000773166106 580329341 /nfs/dbraw/zinc/32/93/41/580329341.db2.gz RQKHLKPPLSAOSL-JKSUJKDBSA-N 1 2 328.416 1.662 20 30 EDEDLO C#CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000775657583 580396439 /nfs/dbraw/zinc/39/64/39/580396439.db2.gz CXFJCMJICQULFF-CYBMUJFWSA-N 1 2 339.413 1.032 20 30 EDEDLO C#CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000775657583 580396440 /nfs/dbraw/zinc/39/64/40/580396440.db2.gz CXFJCMJICQULFF-CYBMUJFWSA-N 1 2 339.413 1.032 20 30 EDEDLO C#C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)[C@@H]1CCCO1 ZINC000775793471 580400838 /nfs/dbraw/zinc/40/08/38/580400838.db2.gz LDCAVNXQXDRJDA-BBRMVZONSA-N 1 2 341.411 1.521 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CCCO1 ZINC000775797950 580401176 /nfs/dbraw/zinc/40/11/76/580401176.db2.gz FUJIOOKYJCVGSG-ZIAGYGMSSA-N 1 2 328.328 1.915 20 30 EDEDLO N#CCC1CC[NH+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC1 ZINC000781571799 580552630 /nfs/dbraw/zinc/55/26/30/580552630.db2.gz JQPFWXZYDCIZPL-UHFFFAOYSA-N 1 2 332.404 1.693 20 30 EDEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=S)NCC[NH+]1CCOCC1 ZINC000782451657 580575293 /nfs/dbraw/zinc/57/52/93/580575293.db2.gz VRUIFVRDNOBQKF-INIZCTEOSA-N 1 2 330.457 1.342 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000782710736 580583164 /nfs/dbraw/zinc/58/31/64/580583164.db2.gz IFUCPKVPHZBFNB-UHFFFAOYSA-N 1 2 328.412 1.570 20 30 EDEDLO N#Cc1cccn(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1=O ZINC000782859127 580586364 /nfs/dbraw/zinc/58/63/64/580586364.db2.gz DZWVYJOADKNVEE-UHFFFAOYSA-N 1 2 328.332 1.119 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000783533317 580600989 /nfs/dbraw/zinc/60/09/89/580600989.db2.gz YBFDMUPRGDQINI-CYBMUJFWSA-N 1 2 334.445 1.827 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000787309709 580692405 /nfs/dbraw/zinc/69/24/05/580692405.db2.gz DDWRSRXXOKYYSJ-AWEZNQCLSA-N 1 2 345.422 1.684 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000787309709 580692406 /nfs/dbraw/zinc/69/24/06/580692406.db2.gz DDWRSRXXOKYYSJ-AWEZNQCLSA-N 1 2 345.422 1.684 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000787447328 580695466 /nfs/dbraw/zinc/69/54/66/580695466.db2.gz FZAVYJYDNTVLFM-UHFFFAOYSA-N 1 2 325.372 1.084 20 30 EDEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000790127137 580762824 /nfs/dbraw/zinc/76/28/24/580762824.db2.gz NSGRFXXTWJGEMA-JKIFEVAISA-N 1 2 331.416 1.159 20 30 EDEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000790127137 580762825 /nfs/dbraw/zinc/76/28/25/580762825.db2.gz NSGRFXXTWJGEMA-JKIFEVAISA-N 1 2 331.416 1.159 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000791781366 580801877 /nfs/dbraw/zinc/80/18/77/580801877.db2.gz BKJWSGTVNNLEBE-IRXDYDNUSA-N 1 2 343.402 1.140 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000791781366 580801878 /nfs/dbraw/zinc/80/18/78/580801878.db2.gz BKJWSGTVNNLEBE-IRXDYDNUSA-N 1 2 343.402 1.140 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(Br)ccc2F)CC1 ZINC000792119047 580810747 /nfs/dbraw/zinc/81/07/47/580810747.db2.gz AXZDKJUOGPMMBR-UHFFFAOYSA-N 1 2 340.196 1.764 20 30 EDEDLO Cc1[nH+]c2ccc(C(=O)NCCNc3ccc(C#N)cn3)cc2n1C ZINC000793007844 580833711 /nfs/dbraw/zinc/83/37/11/580833711.db2.gz JTIBPBRQQUGRRW-UHFFFAOYSA-N 1 2 334.383 1.990 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C[C@H]1C ZINC000793503325 580846199 /nfs/dbraw/zinc/84/61/99/580846199.db2.gz HMLYVGDGLUHCFF-MLGOLLRUSA-N 1 2 329.400 1.297 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C[C@H]1C ZINC000793503325 580846200 /nfs/dbraw/zinc/84/62/00/580846200.db2.gz HMLYVGDGLUHCFF-MLGOLLRUSA-N 1 2 329.400 1.297 20 30 EDEDLO C[C@@H](C#N)OCCS[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000793963674 580862437 /nfs/dbraw/zinc/86/24/37/580862437.db2.gz CVCXGZGADKZAMB-GJZGRUSLSA-N 1 2 348.472 1.781 20 30 EDEDLO Cn1c[nH+]c(CN=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)c1 ZINC000794492083 580894483 /nfs/dbraw/zinc/89/44/83/580894483.db2.gz CIGLRGMNBGELEU-UHFFFAOYSA-N 1 2 336.421 1.338 20 30 EDEDLO CCC(=NNC(=S)NCC[NH+]1CCOCC1)c1cccc(C)c1 ZINC000794869497 580907128 /nfs/dbraw/zinc/90/71/28/580907128.db2.gz ZMOVDGILWDDHPN-UHFFFAOYSA-N 1 2 334.489 1.905 20 30 EDEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799168521 581020682 /nfs/dbraw/zinc/02/06/82/581020682.db2.gz SGJAHMCMYMGBFP-LSDHHAIUSA-N 1 2 346.818 1.327 20 30 EDEDLO C[C@H]1C[N@H+](CCOC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CCO1 ZINC000800160444 581045708 /nfs/dbraw/zinc/04/57/08/581045708.db2.gz PXPSJFVXNUWXNR-YJBOKZPZSA-N 1 2 343.427 1.791 20 30 EDEDLO C[C@H]1C[N@@H+](CCOC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CCO1 ZINC000800160444 581045709 /nfs/dbraw/zinc/04/57/09/581045709.db2.gz PXPSJFVXNUWXNR-YJBOKZPZSA-N 1 2 343.427 1.791 20 30 EDEDLO C=C[C@H](C(=O)OC)N(C)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000800346595 581050934 /nfs/dbraw/zinc/05/09/34/581050934.db2.gz ZKZPUUMPTWZZAV-CQSZACIVSA-N 1 2 341.452 1.199 20 30 EDEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2c(Cl)cc(F)cc2C#N)C1 ZINC000867510336 590780737 /nfs/dbraw/zinc/78/07/37/590780737.db2.gz KAVAHWQQTMPLPS-NSHDSACASA-N 1 2 348.783 1.390 20 30 EDEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2c(Cl)cc(F)cc2C#N)C1 ZINC000867510336 590780741 /nfs/dbraw/zinc/78/07/41/590780741.db2.gz KAVAHWQQTMPLPS-NSHDSACASA-N 1 2 348.783 1.390 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(O)c(F)c1 ZINC000892223613 590872406 /nfs/dbraw/zinc/87/24/06/590872406.db2.gz LAOIANJPDRTNFX-GFCCVEGCSA-N 1 2 327.363 1.904 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(O)c(F)c1 ZINC000892223613 590872410 /nfs/dbraw/zinc/87/24/10/590872410.db2.gz LAOIANJPDRTNFX-GFCCVEGCSA-N 1 2 327.363 1.904 20 30 EDEDLO Cc1c(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cnn1CCC#N ZINC000889085652 590950808 /nfs/dbraw/zinc/95/08/08/590950808.db2.gz YCQISBYFHGABPC-MRXNPFEDSA-N 1 2 345.447 1.432 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)Cc2ccccc2CC#N)C[N@@H+]1C ZINC000893567869 590967816 /nfs/dbraw/zinc/96/78/16/590967816.db2.gz FBUCGGIXHMHQDQ-CRAIPNDOSA-N 1 2 330.384 1.474 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)Cc2ccccc2CC#N)C[N@H+]1C ZINC000893567869 590967817 /nfs/dbraw/zinc/96/78/17/590967817.db2.gz FBUCGGIXHMHQDQ-CRAIPNDOSA-N 1 2 330.384 1.474 20 30 EDEDLO COCCOc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)o1 ZINC000893597648 590999261 /nfs/dbraw/zinc/99/92/61/590999261.db2.gz MNVWPSXSBFUZPE-UHFFFAOYSA-N 1 2 342.399 1.894 20 30 EDEDLO CN(C(=O)c1ccc(C#N)c(Cl)n1)C(C)(C)C[NH+]1CCOCC1 ZINC000840567625 591003792 /nfs/dbraw/zinc/00/37/92/591003792.db2.gz AERKVWWHSRZFJW-UHFFFAOYSA-N 1 2 336.823 1.789 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000891607575 591146237 /nfs/dbraw/zinc/14/62/37/591146237.db2.gz UYTFBPAFKYWUOW-GOSISDBHSA-N 1 2 335.407 1.992 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000891607575 591146238 /nfs/dbraw/zinc/14/62/38/591146238.db2.gz UYTFBPAFKYWUOW-GOSISDBHSA-N 1 2 335.407 1.992 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3scnc3c2)C1 ZINC000891605987 591146994 /nfs/dbraw/zinc/14/69/94/591146994.db2.gz JDJZFBWEHIMHDA-ZDUSSCGKSA-N 1 2 342.424 1.449 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3scnc3c2)C1 ZINC000891605987 591146995 /nfs/dbraw/zinc/14/69/95/591146995.db2.gz JDJZFBWEHIMHDA-ZDUSSCGKSA-N 1 2 342.424 1.449 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000891606394 591147552 /nfs/dbraw/zinc/14/75/52/591147552.db2.gz LWFTULRNPSDVCL-AWEZNQCLSA-N 1 2 335.354 1.777 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000891606394 591147555 /nfs/dbraw/zinc/14/75/55/591147555.db2.gz LWFTULRNPSDVCL-AWEZNQCLSA-N 1 2 335.354 1.777 20 30 EDEDLO C#C[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000891696282 591188603 /nfs/dbraw/zinc/18/86/03/591188603.db2.gz OQVLQLKJGBMTCJ-MRXNPFEDSA-N 1 2 328.416 1.616 20 30 EDEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnc3n2CCOC3)CC1 ZINC000891708042 591194549 /nfs/dbraw/zinc/19/45/49/591194549.db2.gz VTASCXGLIVIRLM-UHFFFAOYSA-N 1 2 341.390 1.746 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891771681 591219567 /nfs/dbraw/zinc/21/95/67/591219567.db2.gz ZVMOFQJSVOZNHU-UHFFFAOYSA-N 1 2 335.371 1.793 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2sc(CC(F)(F)F)nc2C)CC1 ZINC000895898438 591299143 /nfs/dbraw/zinc/29/91/43/591299143.db2.gz RSSJZEKCGOHPEA-UHFFFAOYSA-N 1 2 345.390 1.876 20 30 EDEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898498556 591382334 /nfs/dbraw/zinc/38/23/34/591382334.db2.gz KDWOCHLMCVHQHD-SUMWQHHRSA-N 1 2 341.427 1.798 20 30 EDEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898498556 591382338 /nfs/dbraw/zinc/38/23/38/591382338.db2.gz KDWOCHLMCVHQHD-SUMWQHHRSA-N 1 2 341.427 1.798 20 30 EDEDLO Cn1c[nH+]c(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 ZINC000898615905 591441378 /nfs/dbraw/zinc/44/13/78/591441378.db2.gz RJXSQSFHLNSWBJ-UHFFFAOYSA-N 1 2 342.378 1.463 20 30 EDEDLO C#CC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1F ZINC000898727247 591490424 /nfs/dbraw/zinc/49/04/24/591490424.db2.gz SMTXQTZHLLWCQU-IUODEOHRSA-N 1 2 348.353 1.471 20 30 EDEDLO C[C@@H]1C[C@@H](NC(=O)N2CCC3(CC2)CC(=O)C=CO3)c2[nH+]ccn21 ZINC000895210305 591659238 /nfs/dbraw/zinc/65/92/38/591659238.db2.gz LAMDXMLJSXDVGS-TZMCWYRMSA-N 1 2 330.388 1.936 20 30 EDEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3nc(C#N)cs3)[nH+]cn2)C1 ZINC000896930580 591687643 /nfs/dbraw/zinc/68/76/43/591687643.db2.gz QTYIADVXORBUEI-WDEREUQCSA-N 1 2 330.417 1.624 20 30 EDEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3nc(C#N)cs3)nc[nH+]2)C1 ZINC000896930580 591687646 /nfs/dbraw/zinc/68/76/46/591687646.db2.gz QTYIADVXORBUEI-WDEREUQCSA-N 1 2 330.417 1.624 20 30 EDEDLO Cc1nc(CN2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)n[nH]1 ZINC000895263425 591687659 /nfs/dbraw/zinc/68/76/59/591687659.db2.gz SOTPVCACONNZGK-UHFFFAOYSA-N 1 2 336.443 1.986 20 30 EDEDLO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)cc1C#N ZINC000897138783 591752134 /nfs/dbraw/zinc/75/21/34/591752134.db2.gz GAKCUXPINHHMTL-MRXNPFEDSA-N 1 2 339.399 1.987 20 30 EDEDLO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)cc1C#N ZINC000897138783 591752137 /nfs/dbraw/zinc/75/21/37/591752137.db2.gz GAKCUXPINHHMTL-MRXNPFEDSA-N 1 2 339.399 1.987 20 30 EDEDLO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)cc1C#N ZINC000897138783 591752139 /nfs/dbraw/zinc/75/21/39/591752139.db2.gz GAKCUXPINHHMTL-MRXNPFEDSA-N 1 2 339.399 1.987 20 30 EDEDLO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)cc1C#N ZINC000897138783 591752141 /nfs/dbraw/zinc/75/21/41/591752141.db2.gz GAKCUXPINHHMTL-MRXNPFEDSA-N 1 2 339.399 1.987 20 30 EDEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1c(C)cc(C#N)cc1C ZINC000898081407 591780708 /nfs/dbraw/zinc/78/07/08/591780708.db2.gz DZMDNWRRPQHXAX-INIZCTEOSA-N 1 2 340.383 1.272 20 30 EDEDLO N#Cc1cccc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)n1 ZINC000897271037 591798494 /nfs/dbraw/zinc/79/84/94/591798494.db2.gz GDZIJPTYJWQSQO-UHFFFAOYSA-N 1 2 348.472 1.733 20 30 EDEDLO N#CCCNC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021406483 591857315 /nfs/dbraw/zinc/85/73/15/591857315.db2.gz BWYUDDLYVDYHLP-UHFFFAOYSA-N 1 2 325.416 1.096 20 30 EDEDLO N#CCCNC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021406483 591857320 /nfs/dbraw/zinc/85/73/20/591857320.db2.gz BWYUDDLYVDYHLP-UHFFFAOYSA-N 1 2 325.416 1.096 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C)c(C(C)=O)c(C)c2)CC1 ZINC000902119208 591922716 /nfs/dbraw/zinc/92/27/16/591922716.db2.gz SAMHURPCTXHKPA-UHFFFAOYSA-N 1 2 327.428 1.695 20 30 EDEDLO CN(C)c1ccc(CN(c2ccc(C#N)cc2)S(C)(=O)=O)c[nH+]1 ZINC000902215022 591941195 /nfs/dbraw/zinc/94/11/95/591941195.db2.gz NBRKBXFYQOTWDG-UHFFFAOYSA-N 1 2 330.413 1.985 20 30 EDEDLO NC(=[NH+]OCC[C@@H]1CCNC1=O)c1ccc(Br)cc1 ZINC000902326180 591979334 /nfs/dbraw/zinc/97/93/34/591979334.db2.gz PBODUKHURVIHOC-JTQLQIEISA-N 1 2 326.194 1.612 20 30 EDEDLO O=C1N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)[C@@H](C2CC2)[C@]12CCCO2 ZINC000902599534 592021888 /nfs/dbraw/zinc/02/18/88/592021888.db2.gz DPKOZMKXUXOMPK-QFBILLFUSA-N 1 2 346.427 1.452 20 30 EDEDLO CC(C)C[C@H]1NC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902599833 592022594 /nfs/dbraw/zinc/02/25/94/592022594.db2.gz MGGFYHQDSSNMAR-CQSZACIVSA-N 1 2 335.404 1.248 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000907979138 592247014 /nfs/dbraw/zinc/24/70/14/592247014.db2.gz YLQUBWXJHSKOPO-MRXNPFEDSA-N 1 2 326.400 1.536 20 30 EDEDLO CC(C)(C)OC(=O)C1CCN(c2ccc(C=[NH+]NCCO)o2)CC1 ZINC000901245116 592302425 /nfs/dbraw/zinc/30/24/25/592302425.db2.gz CKTVAJJOIPLNOE-UHFFFAOYSA-N 1 2 337.420 1.754 20 30 EDEDLO COCOc1ccc(C#N)cc1-c1ccc([C@@H]2[NH2+]CCNC2=O)cc1 ZINC000904885107 592336242 /nfs/dbraw/zinc/33/62/42/592336242.db2.gz KNCDIKCFWOVEEA-SFHVURJKSA-N 1 2 337.379 1.968 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000906833442 592359798 /nfs/dbraw/zinc/35/97/98/592359798.db2.gz ORZRRDXHZYPUHC-MRXNPFEDSA-N 1 2 336.457 1.303 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000906833442 592359804 /nfs/dbraw/zinc/35/98/04/592359804.db2.gz ORZRRDXHZYPUHC-MRXNPFEDSA-N 1 2 336.457 1.303 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCOCC)[C@H](C)C2)cc1 ZINC000906957694 592435613 /nfs/dbraw/zinc/43/56/13/592435613.db2.gz SYDZFPDPUBZYMW-OAHLLOKOSA-N 1 2 336.457 1.399 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@H+](CCOCC)[C@H](C)C2)cc1 ZINC000906957694 592435616 /nfs/dbraw/zinc/43/56/16/592435616.db2.gz SYDZFPDPUBZYMW-OAHLLOKOSA-N 1 2 336.457 1.399 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000907074147 592491539 /nfs/dbraw/zinc/49/15/39/592491539.db2.gz ORTNOSYIEBNPCU-HNNXBMFYSA-N 1 2 328.397 1.418 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000907074147 592491540 /nfs/dbraw/zinc/49/15/40/592491540.db2.gz ORTNOSYIEBNPCU-HNNXBMFYSA-N 1 2 328.397 1.418 20 30 EDEDLO C#CCCCc1nnc(N2CC[NH+](Cc3nc(C)c(C)o3)CC2)n1C ZINC000908531369 592526222 /nfs/dbraw/zinc/52/62/22/592526222.db2.gz CYJBLULUWZTQKU-UHFFFAOYSA-N 1 2 342.447 1.698 20 30 EDEDLO C#CCCCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1C ZINC000908532394 592526747 /nfs/dbraw/zinc/52/67/47/592526747.db2.gz UMRVZCMIQFJKOG-UHFFFAOYSA-N 1 2 344.488 1.858 20 30 EDEDLO C=CC[C@H]([NH2+]CCCCN1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000905758935 592638418 /nfs/dbraw/zinc/63/84/18/592638418.db2.gz FMUFFEXYMHNTCO-HNNXBMFYSA-N 1 2 330.384 1.770 20 30 EDEDLO C#C[C@@H](C)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000907491050 592670798 /nfs/dbraw/zinc/67/07/98/592670798.db2.gz ICTDSCQFBLNPIX-CYBMUJFWSA-N 1 2 335.835 1.836 20 30 EDEDLO C=CCC(F)(F)C(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000907583488 592721964 /nfs/dbraw/zinc/72/19/64/592721964.db2.gz SFGIPKZDNGVXGU-AWEZNQCLSA-N 1 2 348.353 1.854 20 30 EDEDLO C/C(=C/C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000911872855 593028808 /nfs/dbraw/zinc/02/88/08/593028808.db2.gz YOKABZAMEQMWJA-BXBOZWQASA-N 1 2 343.427 1.329 20 30 EDEDLO C#CCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000806913560 593127136 /nfs/dbraw/zinc/12/71/36/593127136.db2.gz ZKHNYFWJSDGRCU-JKSUJKDBSA-N 1 2 349.381 1.356 20 30 EDEDLO C#CCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000806913560 593127138 /nfs/dbraw/zinc/12/71/38/593127138.db2.gz ZKHNYFWJSDGRCU-JKSUJKDBSA-N 1 2 349.381 1.356 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1C ZINC000808750988 593285189 /nfs/dbraw/zinc/28/51/89/593285189.db2.gz POXLWNXZMNTHTQ-WMZOPIPTSA-N 1 2 345.443 1.225 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1C ZINC000808750988 593285191 /nfs/dbraw/zinc/28/51/91/593285191.db2.gz POXLWNXZMNTHTQ-WMZOPIPTSA-N 1 2 345.443 1.225 20 30 EDEDLO C=C(Br)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000808770785 593286833 /nfs/dbraw/zinc/28/68/33/593286833.db2.gz SRSXQYKUMKIMSJ-NSHDSACASA-N 1 2 337.283 1.689 20 30 EDEDLO C=C(Br)C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000808770785 593286835 /nfs/dbraw/zinc/28/68/35/593286835.db2.gz SRSXQYKUMKIMSJ-NSHDSACASA-N 1 2 337.283 1.689 20 30 EDEDLO C#CCCCS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000804939606 593320533 /nfs/dbraw/zinc/32/05/33/593320533.db2.gz RGWMLHNPANFLLO-UHFFFAOYSA-N 1 2 331.441 1.419 20 30 EDEDLO C#C[C@H]([NH2+][C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C)[C@H]1CCCO1 ZINC000839562815 593345164 /nfs/dbraw/zinc/34/51/64/593345164.db2.gz DAYBVZFBRMZWOV-MELADBBJSA-N 1 2 332.400 1.760 20 30 EDEDLO C[C@@H](O)c1ncc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)s1 ZINC000809638516 593351102 /nfs/dbraw/zinc/35/11/02/593351102.db2.gz AWVYDQXVHSZMDF-GFCCVEGCSA-N 1 2 329.429 1.785 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000804318130 593404441 /nfs/dbraw/zinc/40/44/41/593404441.db2.gz AISVZRLXNOYLJA-UHFFFAOYSA-N 1 2 345.443 1.815 20 30 EDEDLO COC(=O)c1ccc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)n1C ZINC000814915160 593606863 /nfs/dbraw/zinc/60/68/63/593606863.db2.gz PUFDFUADMPENCY-UHFFFAOYSA-N 1 2 325.332 1.233 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NC(C)(C)CC[NH3+])cc2[nH]c1=S ZINC000818021286 593658366 /nfs/dbraw/zinc/65/83/66/593658366.db2.gz WYKMQJDTSQKBPQ-UHFFFAOYSA-N 1 2 346.456 1.728 20 30 EDEDLO C#C[C@@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000820476640 593822149 /nfs/dbraw/zinc/82/21/49/593822149.db2.gz FLYPKYSTDRRQIQ-RHSMWYFYSA-N 1 2 333.407 1.862 20 30 EDEDLO C[Si](C)(C)C#CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000824865338 594086790 /nfs/dbraw/zinc/08/67/90/594086790.db2.gz DPTUDMUIUGDEEN-CVEARBPZSA-N 1 2 338.524 1.253 20 30 EDEDLO CCOC(=O)c1cc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)[nH]c1C ZINC000824872976 594087826 /nfs/dbraw/zinc/08/78/26/594087826.db2.gz ZOXPWALYBGFHBK-UHFFFAOYSA-N 1 2 333.388 1.779 20 30 EDEDLO N#CC1CC[NH+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000822806719 594103336 /nfs/dbraw/zinc/10/33/36/594103336.db2.gz SARDTQRBNLAXMX-LBPRGKRZSA-N 1 2 343.416 1.269 20 30 EDEDLO CC(C)(C)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1=O ZINC000822985916 594132225 /nfs/dbraw/zinc/13/22/25/594132225.db2.gz VSKFWRMQNSQTLW-MRXNPFEDSA-N 1 2 327.432 1.475 20 30 EDEDLO COc1cncc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC000825509481 594194774 /nfs/dbraw/zinc/19/47/74/594194774.db2.gz LDZTVYXFFGTPAF-UKRRQHHQSA-N 1 2 332.404 1.939 20 30 EDEDLO COc1cc(C#N)ccc1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000825617637 594207024 /nfs/dbraw/zinc/20/70/24/594207024.db2.gz IMJPRCQWSMBNEO-UHFFFAOYSA-N 1 2 343.427 1.751 20 30 EDEDLO C#CC[C@@H]1CCC[N@@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C1 ZINC000829800005 594267236 /nfs/dbraw/zinc/26/72/36/594267236.db2.gz SRJODTOPMNOHKZ-GFCCVEGCSA-N 1 2 341.440 1.878 20 30 EDEDLO C#CC[C@@H]1CCC[N@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C1 ZINC000829800005 594267238 /nfs/dbraw/zinc/26/72/38/594267238.db2.gz SRJODTOPMNOHKZ-GFCCVEGCSA-N 1 2 341.440 1.878 20 30 EDEDLO C=CCC[C@@H](CO)Nc1[nH+]cnc2c1c(Br)nn2C ZINC000829391311 594605853 /nfs/dbraw/zinc/60/58/53/594605853.db2.gz ZXMZPGWTGMOBOD-QMMMGPOBSA-N 1 2 326.198 1.865 20 30 EDEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N(C)C[C@H](C)O ZINC000841653411 594931430 /nfs/dbraw/zinc/93/14/30/594931430.db2.gz IAJLUZHZIDKGSZ-NSHDSACASA-N 1 2 337.383 1.607 20 30 EDEDLO OC[C@H]1CCCN1N=Cc1ccc(C=[NH+]N2CCC[C@H]2CO)cc1 ZINC000841659943 594931642 /nfs/dbraw/zinc/93/16/42/594931642.db2.gz AMVYKPJZJNOPCS-HDICACEKSA-N 1 2 330.432 1.268 20 30 EDEDLO OC[C@H]1CCCN1[NH+]=Cc1ccc(C=NN2CCC[C@H]2CO)cc1 ZINC000841659943 594931646 /nfs/dbraw/zinc/93/16/46/594931646.db2.gz AMVYKPJZJNOPCS-HDICACEKSA-N 1 2 330.432 1.268 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000843244760 595048643 /nfs/dbraw/zinc/04/86/43/595048643.db2.gz QWWLNVHOYPQEEX-LSDHHAIUSA-N 1 2 328.416 1.378 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C#CC3CC3)cc2)CC1 ZINC000837518516 595130718 /nfs/dbraw/zinc/13/07/18/595130718.db2.gz YQOAANWMBSVHHR-UHFFFAOYSA-N 1 2 325.412 1.703 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(OCC)ccc2Cl)CC1 ZINC000834633633 595180396 /nfs/dbraw/zinc/18/03/96/595180396.db2.gz MCVHHDCEGGEMGJ-UHFFFAOYSA-N 1 2 335.835 1.928 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cnn(C)c2-n2c(C)ccc2C)CC1 ZINC000101694594 595208356 /nfs/dbraw/zinc/20/83/56/595208356.db2.gz CZKYADCWAPWTCI-UHFFFAOYSA-N 1 2 325.416 1.219 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000834785872 595211851 /nfs/dbraw/zinc/21/18/51/595211851.db2.gz JBTNXUUMAUHXQX-QAPCUYQASA-N 1 2 339.439 1.551 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000834785872 595211854 /nfs/dbraw/zinc/21/18/54/595211854.db2.gz JBTNXUUMAUHXQX-QAPCUYQASA-N 1 2 339.439 1.551 20 30 EDEDLO CN(C)S(=O)(=O)CCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000105394126 595227957 /nfs/dbraw/zinc/22/79/57/595227957.db2.gz ULKSQJPKTCGQRX-UHFFFAOYSA-N 1 2 333.841 1.453 20 30 EDEDLO C#CC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C(=O)OC ZINC000837942025 595233398 /nfs/dbraw/zinc/23/33/98/595233398.db2.gz CHMXEHOUQUHNLJ-DLBZAZTESA-N 1 2 346.402 1.861 20 30 EDEDLO C#CC[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C(=O)OC ZINC000837942025 595233401 /nfs/dbraw/zinc/23/34/01/595233401.db2.gz CHMXEHOUQUHNLJ-DLBZAZTESA-N 1 2 346.402 1.861 20 30 EDEDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(C#N)cc1 ZINC000842961466 595243492 /nfs/dbraw/zinc/24/34/92/595243492.db2.gz CICKZSIAPRJPDX-RHSMWYFYSA-N 1 2 348.399 1.216 20 30 EDEDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(C#N)cc1 ZINC000842961466 595243494 /nfs/dbraw/zinc/24/34/94/595243494.db2.gz CICKZSIAPRJPDX-RHSMWYFYSA-N 1 2 348.399 1.216 20 30 EDEDLO CC1(C)OCC[C@@H]1N[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000835014348 595245816 /nfs/dbraw/zinc/24/58/16/595245816.db2.gz QOOSWUUOBZFDAI-NSHDSACASA-N 1 2 338.843 1.803 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)CC2)c1 ZINC000844276036 595315208 /nfs/dbraw/zinc/31/52/08/595315208.db2.gz CIOQQKNBSKUCGN-OAHLLOKOSA-N 1 2 327.388 1.058 20 30 EDEDLO COC(=O)c1csc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)n1 ZINC000844370845 595332929 /nfs/dbraw/zinc/33/29/29/595332929.db2.gz KAUYGZJUQPAYIB-AWEZNQCLSA-N 1 2 331.397 1.967 20 30 EDEDLO COC(=O)c1csc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)n1 ZINC000844370845 595332930 /nfs/dbraw/zinc/33/29/30/595332930.db2.gz KAUYGZJUQPAYIB-AWEZNQCLSA-N 1 2 331.397 1.967 20 30 EDEDLO CN=c1scc(-c2cn(C)nn2)n1[NH+]=Cc1ccc(N(C)C)cc1 ZINC000844554885 595358409 /nfs/dbraw/zinc/35/84/09/595358409.db2.gz WIOSBLSIQHGLQV-UHFFFAOYSA-N 1 2 341.444 1.824 20 30 EDEDLO Cc1nc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)co1 ZINC000848508379 595399465 /nfs/dbraw/zinc/39/94/65/595399465.db2.gz NEIWGPZQMLZSBS-UHFFFAOYSA-N 1 2 330.388 1.652 20 30 EDEDLO Cn1cc[nH+]c1[C@H](CC(=O)Nc1cnn(CC#N)c1)C(F)(F)F ZINC000847408292 595412986 /nfs/dbraw/zinc/41/29/86/595412986.db2.gz JGQVQOBANUTDSC-JTQLQIEISA-N 1 2 326.282 1.815 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)CC1 ZINC000106927642 595445130 /nfs/dbraw/zinc/44/51/30/595445130.db2.gz YALHSXSGMPIBGW-CQSZACIVSA-N 1 2 337.489 1.102 20 30 EDEDLO COc1ccc(CNC(=O)[C@@H](C#N)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000845452337 595500088 /nfs/dbraw/zinc/50/00/88/595500088.db2.gz TVPCRISYPPISEH-CJNGLKHVSA-N 1 2 340.383 1.868 20 30 EDEDLO C#CCOc1ccc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000108521254 595513278 /nfs/dbraw/zinc/51/32/78/595513278.db2.gz QXKBOVKZTKAXNM-LSDHHAIUSA-N 1 2 331.416 1.929 20 30 EDEDLO C=C(C)CONC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000845598151 595523395 /nfs/dbraw/zinc/52/33/95/595523395.db2.gz YMPCBVBIDSGCRN-OAHLLOKOSA-N 1 2 343.387 1.333 20 30 EDEDLO C=CCN(C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H](C)COC ZINC000850585825 595538228 /nfs/dbraw/zinc/53/82/28/595538228.db2.gz BGXJTGTXVPDRJE-ZDUSSCGKSA-N 1 2 343.387 1.255 20 30 EDEDLO C[C@@H](C[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000860093972 595575630 /nfs/dbraw/zinc/57/56/30/595575630.db2.gz FBEBEVSYJRXTEN-SWLSCSKDSA-N 1 2 346.431 1.930 20 30 EDEDLO C[C@@H](C[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000860093972 595575631 /nfs/dbraw/zinc/57/56/31/595575631.db2.gz FBEBEVSYJRXTEN-SWLSCSKDSA-N 1 2 346.431 1.930 20 30 EDEDLO COC[C@@]1(C)NC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000113242900 595675325 /nfs/dbraw/zinc/67/53/25/595675325.db2.gz TUOJFFNFLNRDAI-GOSISDBHSA-N 1 2 344.415 1.683 20 30 EDEDLO COC[C@@]1(C)NC(=O)N(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000113242900 595675328 /nfs/dbraw/zinc/67/53/28/595675328.db2.gz TUOJFFNFLNRDAI-GOSISDBHSA-N 1 2 344.415 1.683 20 30 EDEDLO C#CC[C@H](COC)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000858098666 595699871 /nfs/dbraw/zinc/69/98/71/595699871.db2.gz CLLUGSCIEALZMC-GOSISDBHSA-N 1 2 345.443 1.356 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000858126746 595706971 /nfs/dbraw/zinc/70/69/71/595706971.db2.gz IDMHZRGXLJPSNS-MRXNPFEDSA-N 1 2 330.432 1.909 20 30 EDEDLO CC(C)c1ccccc1NC(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000111182018 595713257 /nfs/dbraw/zinc/71/32/57/595713257.db2.gz NTBALWDQWDECFM-UHFFFAOYSA-N 1 2 334.420 1.370 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1cc(Br)cnc1C#N ZINC000853293406 595730029 /nfs/dbraw/zinc/73/00/29/595730029.db2.gz DPCBEMFZKFHUEY-NSHDSACASA-N 1 2 338.253 1.764 20 30 EDEDLO CCc1nc(C#N)cc(N2CCN(C3=[NH+]CC(C)(C)S3)CC2)n1 ZINC000853435830 595751227 /nfs/dbraw/zinc/75/12/27/595751227.db2.gz SYKMISZRJSIWDH-UHFFFAOYSA-N 1 2 330.461 1.914 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000858389349 595782242 /nfs/dbraw/zinc/78/22/42/595782242.db2.gz FWQASAMLGLFMAV-DLBZAZTESA-N 1 2 330.432 1.384 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000858389349 595782243 /nfs/dbraw/zinc/78/22/43/595782243.db2.gz FWQASAMLGLFMAV-DLBZAZTESA-N 1 2 330.432 1.384 20 30 EDEDLO CC1(C)C[C@@]2(NC(=O)N(C[N@@H+]3CCC[C@H](CC#N)C3)C2=O)C(C)(C)O1 ZINC000853525074 595784533 /nfs/dbraw/zinc/78/45/33/595784533.db2.gz RUONIOWITHSTDY-ACJLOTCBSA-N 1 2 348.447 1.838 20 30 EDEDLO CC1(C)C[C@@]2(NC(=O)N(C[N@H+]3CCC[C@H](CC#N)C3)C2=O)C(C)(C)O1 ZINC000853525074 595784535 /nfs/dbraw/zinc/78/45/35/595784535.db2.gz RUONIOWITHSTDY-ACJLOTCBSA-N 1 2 348.447 1.838 20 30 EDEDLO C#CC[N@@H+](CCSc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000851839752 595942839 /nfs/dbraw/zinc/94/28/39/595942839.db2.gz COCHFRIPOHCPOJ-CQSZACIVSA-N 1 2 339.482 1.910 20 30 EDEDLO C#CC[N@H+](CCSc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000851839752 595942840 /nfs/dbraw/zinc/94/28/40/595942840.db2.gz COCHFRIPOHCPOJ-CQSZACIVSA-N 1 2 339.482 1.910 20 30 EDEDLO C#CC[C@H](COC)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000859031851 595956998 /nfs/dbraw/zinc/95/69/98/595956998.db2.gz YSGDIWQVZLLRBL-NVXWUHKLSA-N 1 2 330.432 1.508 20 30 EDEDLO CCOC(=O)[C@]1(F)C[N@H+](CC(=O)N(CC)CCC#N)CC12CCC2 ZINC000852316208 596122619 /nfs/dbraw/zinc/12/26/19/596122619.db2.gz QHYUTLKTASXYRQ-QGZVFWFLSA-N 1 2 339.411 1.506 20 30 EDEDLO CCOC(=O)[C@]1(F)C[N@@H+](CC(=O)N(CC)CCC#N)CC12CCC2 ZINC000852316208 596122621 /nfs/dbraw/zinc/12/26/21/596122621.db2.gz QHYUTLKTASXYRQ-QGZVFWFLSA-N 1 2 339.411 1.506 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852314862 596122874 /nfs/dbraw/zinc/12/28/74/596122874.db2.gz VQZKTYGSUUWSAP-GDBMZVCRSA-N 1 2 325.372 1.386 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852314862 596122876 /nfs/dbraw/zinc/12/28/76/596122876.db2.gz VQZKTYGSUUWSAP-GDBMZVCRSA-N 1 2 325.372 1.386 20 30 EDEDLO N#C[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCOC1 ZINC000864614159 596283124 /nfs/dbraw/zinc/28/31/24/596283124.db2.gz QZMYPPBUWJVGAJ-MJGOQNOKSA-N 1 2 343.427 1.324 20 30 EDEDLO N#C[C@@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCOC1 ZINC000864614159 596283126 /nfs/dbraw/zinc/28/31/26/596283126.db2.gz QZMYPPBUWJVGAJ-MJGOQNOKSA-N 1 2 343.427 1.324 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)c[nH]1 ZINC000862422148 596325970 /nfs/dbraw/zinc/32/59/70/596325970.db2.gz UBGGKQOJPIITOV-UHFFFAOYSA-N 1 2 325.372 1.390 20 30 EDEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2coc(C#N)c2)CC1 ZINC000864825286 596373601 /nfs/dbraw/zinc/37/36/01/596373601.db2.gz OJARLONKQAHIQB-UHFFFAOYSA-N 1 2 338.367 1.791 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)OC ZINC000862648022 596373915 /nfs/dbraw/zinc/37/39/15/596373915.db2.gz CRJCENXZKQILBV-INIZCTEOSA-N 1 2 325.368 1.991 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)OC ZINC000862648022 596373919 /nfs/dbraw/zinc/37/39/19/596373919.db2.gz CRJCENXZKQILBV-INIZCTEOSA-N 1 2 325.368 1.991 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000120289340 596417934 /nfs/dbraw/zinc/41/79/34/596417934.db2.gz UFQCNVPSGUTSIO-UHFFFAOYSA-N 1 2 339.355 1.172 20 30 EDEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000865042941 596453569 /nfs/dbraw/zinc/45/35/69/596453569.db2.gz RLQNSPMQTQJWRA-DAXSKMNVSA-N 1 2 345.399 1.998 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869233769 596455567 /nfs/dbraw/zinc/45/55/67/596455567.db2.gz FBUXQMUHSVZFCY-MTGFJVSHSA-N 1 2 340.427 1.354 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CC(F)(F)C(F)(F)F ZINC000865069881 596463041 /nfs/dbraw/zinc/46/30/41/596463041.db2.gz MTBZVIIDBWTHCT-UHFFFAOYSA-N 1 2 343.296 1.649 20 30 EDEDLO N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867712051 596509850 /nfs/dbraw/zinc/50/98/50/596509850.db2.gz ZZNBKYSKZYHNGD-CYBMUJFWSA-N 1 2 329.372 1.410 20 30 EDEDLO N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867712051 596509852 /nfs/dbraw/zinc/50/98/52/596509852.db2.gz ZZNBKYSKZYHNGD-CYBMUJFWSA-N 1 2 329.372 1.410 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)n1 ZINC000867929655 596620170 /nfs/dbraw/zinc/62/01/70/596620170.db2.gz HLFVRIYZRGNLBB-AWEZNQCLSA-N 1 2 338.402 1.842 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)n1 ZINC000867929655 596620172 /nfs/dbraw/zinc/62/01/72/596620172.db2.gz HLFVRIYZRGNLBB-AWEZNQCLSA-N 1 2 338.402 1.842 20 30 EDEDLO N#CCc1ccnc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000871722062 596678024 /nfs/dbraw/zinc/67/80/24/596678024.db2.gz HTIKUAXQUMCWDM-MRXNPFEDSA-N 1 2 343.431 1.866 20 30 EDEDLO CO[C@H]1C[C@H]2CN(c3nc(C)cc(C#N)n3)Cc3ccc[nH+]c3N2C1 ZINC000866057183 596774647 /nfs/dbraw/zinc/77/46/47/596774647.db2.gz FTCUDQUUIKZRGA-HOTGVXAUSA-N 1 2 336.399 1.666 20 30 EDEDLO N#CCN1CCC(CNC(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000866065970 596776391 /nfs/dbraw/zinc/77/63/91/596776391.db2.gz CTXARUHEMIVOAC-AWEZNQCLSA-N 1 2 328.407 1.315 20 30 EDEDLO N#CCN1CCC(CNC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000866065970 596776395 /nfs/dbraw/zinc/77/63/95/596776395.db2.gz CTXARUHEMIVOAC-AWEZNQCLSA-N 1 2 328.407 1.315 20 30 EDEDLO COc1cccc([C@H]2CN(C(=O)Cc3ccc(C#N)nc3)CC[NH2+]2)c1 ZINC000870155900 596779012 /nfs/dbraw/zinc/77/90/12/596779012.db2.gz VOIGOERGDDERDC-GOSISDBHSA-N 1 2 336.395 1.677 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)CS(N)(=O)=O ZINC000866196968 596824453 /nfs/dbraw/zinc/82/44/53/596824453.db2.gz OOKKSMHZSKSFRK-UHFFFAOYSA-N 1 2 325.434 1.600 20 30 EDEDLO CCOc1cccc(/C=[NH+]\CCCN2CCCS2(=O)=O)c1O ZINC000864346673 596862068 /nfs/dbraw/zinc/86/20/68/596862068.db2.gz CHBTVSIZIADBQS-VBKFSLOCSA-N 1 2 326.418 1.635 20 30 EDEDLO CCNc1ccccc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000872330792 596881932 /nfs/dbraw/zinc/88/19/32/596881932.db2.gz VLFYRWARTLTDQN-UHFFFAOYSA-N 1 2 349.504 1.639 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CCC[C@@H]2C#N)c(N(C)C)[nH+]1 ZINC000874051666 596908611 /nfs/dbraw/zinc/90/86/11/596908611.db2.gz YYQXFGMRSNQELA-OCCSQVGLSA-N 1 2 329.404 1.545 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000872466377 596922133 /nfs/dbraw/zinc/92/21/33/596922133.db2.gz ZBFCUYKAMPSINQ-CQSZACIVSA-N 1 2 330.413 1.778 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000872471824 596924568 /nfs/dbraw/zinc/92/45/68/596924568.db2.gz OWQVQHBFBNXSOC-JKSUJKDBSA-N 1 2 349.456 1.086 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](CN3CCC4(CCC4)C3=O)CC2)c1 ZINC000872556134 596963167 /nfs/dbraw/zinc/96/31/67/596963167.db2.gz BEEDZWZOFLUONE-UHFFFAOYSA-N 1 2 325.416 1.435 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cn3cc(-c4ccncn4)cn3)CC2)cc1 ZINC000872728439 597048694 /nfs/dbraw/zinc/04/86/94/597048694.db2.gz LKFDZGYBBAKVFO-UHFFFAOYSA-N 1 2 345.410 1.991 20 30 EDEDLO CC#CCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@@H]2C1 ZINC000875504843 597455868 /nfs/dbraw/zinc/45/58/68/597455868.db2.gz WJJVULMYENVEFB-HZPDHXFCSA-N 1 2 328.416 1.614 20 30 EDEDLO C[N@@H+](Cc1cn(C[C@@H]2CCOC2)nn1)C[C@H](O)c1cccc(C#N)c1 ZINC000877609330 597541357 /nfs/dbraw/zinc/54/13/57/597541357.db2.gz KPOGXIBXXCIMDG-YJBOKZPZSA-N 1 2 341.415 1.352 20 30 EDEDLO C[N@H+](Cc1cn(C[C@@H]2CCOC2)nn1)C[C@H](O)c1cccc(C#N)c1 ZINC000877609330 597541358 /nfs/dbraw/zinc/54/13/58/597541358.db2.gz KPOGXIBXXCIMDG-YJBOKZPZSA-N 1 2 341.415 1.352 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)[nH]c1C ZINC000877645528 597544121 /nfs/dbraw/zinc/54/41/21/597544121.db2.gz OCSUFVGADBFPGV-UHFFFAOYSA-N 1 2 339.399 1.699 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCSC(F)(F)F)c1=O ZINC000877883361 597561785 /nfs/dbraw/zinc/56/17/85/597561785.db2.gz NJRLJVHZRNPYOB-UHFFFAOYSA-N 1 2 347.362 1.805 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H](O)[C@@H](O)C1)c1cccc(Cl)c1 ZINC000879614319 597659542 /nfs/dbraw/zinc/65/95/42/597659542.db2.gz PSSDIINESLDKHZ-CABCVRRESA-N 1 2 337.807 1.014 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)c1cccc(Cl)c1 ZINC000879614319 597659544 /nfs/dbraw/zinc/65/95/44/597659544.db2.gz PSSDIINESLDKHZ-CABCVRRESA-N 1 2 337.807 1.014 20 30 EDEDLO CCOC(=O)[C@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)CCC1(F)F ZINC000879370171 597902702 /nfs/dbraw/zinc/90/27/02/597902702.db2.gz POYWSFJAQBPPDJ-QWHCGFSZSA-N 1 2 345.390 1.515 20 30 EDEDLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)CCC1(F)F ZINC000879370171 597902703 /nfs/dbraw/zinc/90/27/03/597902703.db2.gz POYWSFJAQBPPDJ-QWHCGFSZSA-N 1 2 345.390 1.515 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000884123567 598001252 /nfs/dbraw/zinc/00/12/52/598001252.db2.gz XETFLSRRJYOQOA-AWEZNQCLSA-N 1 2 336.819 1.934 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)Cc1ccccc1OC ZINC000884126207 598001966 /nfs/dbraw/zinc/00/19/66/598001966.db2.gz TWJHBJBOSHRRTC-ZFWWWQNUSA-N 1 2 334.416 1.531 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000884145060 598006749 /nfs/dbraw/zinc/00/67/49/598006749.db2.gz BFHYTFGVDIYKHO-IXDOHACOSA-N 1 2 330.428 1.961 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)COc1c(F)cccc1F ZINC000884405436 598095381 /nfs/dbraw/zinc/09/53/81/598095381.db2.gz PXXSMLRMQHHIPT-GWCFXTLKSA-N 1 2 342.342 1.295 20 30 EDEDLO N#Cc1cc(CS(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cs1 ZINC000914286862 695334709 /nfs/dbraw/zinc/33/47/09/695334709.db2.gz MEZGFRRWSXNZRK-CYBMUJFWSA-N 1 2 348.453 1.713 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccn(CCOC)n2)[C@H]1C ZINC000993574319 696228858 /nfs/dbraw/zinc/22/88/58/696228858.db2.gz NHXPCZSFZZCTCV-KGLIPLIRSA-N 1 2 340.855 1.865 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccn(CCOC)n2)[C@H]1C ZINC000993574319 696228859 /nfs/dbraw/zinc/22/88/59/696228859.db2.gz NHXPCZSFZZCTCV-KGLIPLIRSA-N 1 2 340.855 1.865 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)NC1CCC(Nc2nccnc2C#N)CC1 ZINC001060598971 696245047 /nfs/dbraw/zinc/24/50/47/696245047.db2.gz MJOHZSJQNXRDJC-UHFFFAOYSA-N 1 2 339.403 1.164 20 30 EDEDLO C=C1CCC(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(C)=O)C2)CC1 ZINC000993637139 696271453 /nfs/dbraw/zinc/27/14/53/696271453.db2.gz WNLJYBWTKZTBBR-HZPDHXFCSA-N 1 2 330.432 1.597 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C(F)F)C1 ZINC000993623343 696288315 /nfs/dbraw/zinc/28/83/15/696288315.db2.gz HKSLQNUNXZSZDL-GHMZBOCLSA-N 1 2 340.374 1.308 20 30 EDEDLO Cc1nn[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993677631 696304633 /nfs/dbraw/zinc/30/46/33/696304633.db2.gz ZKYCJLJIKXZAIW-CJNGLKHVSA-N 1 2 338.415 1.768 20 30 EDEDLO Cc1nn[nH]c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993677631 696304636 /nfs/dbraw/zinc/30/46/36/696304636.db2.gz ZKYCJLJIKXZAIW-CJNGLKHVSA-N 1 2 338.415 1.768 20 30 EDEDLO C[C@H](C#N)C(=O)NCc1ccc([C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001060620961 696409661 /nfs/dbraw/zinc/40/96/61/696409661.db2.gz WJHFILULHPXTTD-ZIAGYGMSSA-N 1 2 339.399 1.536 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2cnon2)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000994036175 696501676 /nfs/dbraw/zinc/50/16/76/696501676.db2.gz GLIGGJVKNPFJAK-XHDPSFHLSA-N 1 2 343.362 1.863 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2cnon2)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000994036175 696501677 /nfs/dbraw/zinc/50/16/77/696501677.db2.gz GLIGGJVKNPFJAK-XHDPSFHLSA-N 1 2 343.362 1.863 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(CC#Cc2ccccc2Cl)C1 ZINC001031313831 696643967 /nfs/dbraw/zinc/64/39/67/696643967.db2.gz XOMPIWNQMVHDJD-UHFFFAOYSA-N 1 2 342.830 1.766 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccnn3C)[C@H]2C)nc1 ZINC000994255746 696660434 /nfs/dbraw/zinc/66/04/34/696660434.db2.gz QPHOXFMHZNSGBJ-YOEHRIQHSA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccnn3C)[C@H]2C)nc1 ZINC000994255746 696660437 /nfs/dbraw/zinc/66/04/37/696660437.db2.gz QPHOXFMHZNSGBJ-YOEHRIQHSA-N 1 2 337.427 1.579 20 30 EDEDLO C=CCOCC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060693258 696982165 /nfs/dbraw/zinc/98/21/65/696982165.db2.gz VQAXCCFPIJWAJN-SHTZXODSSA-N 1 2 348.447 1.336 20 30 EDEDLO C=CCOCC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060693258 696982168 /nfs/dbraw/zinc/98/21/68/696982168.db2.gz VQAXCCFPIJWAJN-SHTZXODSSA-N 1 2 348.447 1.336 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H]1C ZINC000994562495 697137544 /nfs/dbraw/zinc/13/75/44/697137544.db2.gz PWDBQKRQYSEZSX-DGCLKSJQSA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H]1C ZINC000994562495 697137545 /nfs/dbraw/zinc/13/75/45/697137545.db2.gz PWDBQKRQYSEZSX-DGCLKSJQSA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000994570733 697161453 /nfs/dbraw/zinc/16/14/53/697161453.db2.gz NDTJYAWVXWBRFI-ZDUSSCGKSA-N 1 2 330.432 1.375 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)C3=COCCO3)C2)ccc1F ZINC001031528365 697212370 /nfs/dbraw/zinc/21/23/70/697212370.db2.gz WDWLUPBGEVENPQ-UHFFFAOYSA-N 1 2 331.347 1.134 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CCCO1 ZINC001031533762 697219345 /nfs/dbraw/zinc/21/93/45/697219345.db2.gz KYTHNWQBQMAFKU-KRWDZBQOSA-N 1 2 332.831 1.919 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cc[n+]([O-])cc3)C2)cc1F ZINC001031536688 697220305 /nfs/dbraw/zinc/22/03/05/697220305.db2.gz FAVREFCUWXGJGN-UHFFFAOYSA-N 1 2 340.358 1.193 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)n(C)n1 ZINC001031566564 697257544 /nfs/dbraw/zinc/25/75/44/697257544.db2.gz WXYTVDNEYDETIA-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO CCO[C@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031567135 697258264 /nfs/dbraw/zinc/25/82/64/697258264.db2.gz XZQSWLIOMPYUIG-WBVHZDCISA-N 1 2 331.391 1.670 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2ncoc2C)C1 ZINC001031567763 697261070 /nfs/dbraw/zinc/26/10/70/697261070.db2.gz DFDUTLPHNNFAOI-UHFFFAOYSA-N 1 2 340.383 1.725 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCCO3)C2)cc1F ZINC001031610644 697319318 /nfs/dbraw/zinc/31/93/18/697319318.db2.gz OYOWDHYQINULPM-QGZVFWFLSA-N 1 2 331.391 1.814 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000919804737 697336236 /nfs/dbraw/zinc/33/62/36/697336236.db2.gz CAARKWIJVXJNOS-XJKSGUPXSA-N 1 2 349.394 1.434 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000919804737 697336237 /nfs/dbraw/zinc/33/62/37/697336237.db2.gz CAARKWIJVXJNOS-XJKSGUPXSA-N 1 2 349.394 1.434 20 30 EDEDLO Cc1c[nH]nc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031659895 697432874 /nfs/dbraw/zinc/43/28/74/697432874.db2.gz VVVPBMMNWOBMBT-UHFFFAOYSA-N 1 2 326.375 1.571 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1cnon1 ZINC001032063792 697691740 /nfs/dbraw/zinc/69/17/40/697691740.db2.gz POFOWMUACUIXLN-UHFFFAOYSA-N 1 2 330.775 1.436 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000938336979 697901390 /nfs/dbraw/zinc/90/13/90/697901390.db2.gz SJMWTODMECJYTG-KRWDZBQOSA-N 1 2 348.406 1.616 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000994825197 698067027 /nfs/dbraw/zinc/06/70/27/698067027.db2.gz BKRRGEMAYQZSOD-ZIAGYGMSSA-N 1 2 339.399 1.142 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000994825197 698067030 /nfs/dbraw/zinc/06/70/30/698067030.db2.gz BKRRGEMAYQZSOD-ZIAGYGMSSA-N 1 2 339.399 1.142 20 30 EDEDLO C[C@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032078442 698215465 /nfs/dbraw/zinc/21/54/65/698215465.db2.gz LWETXFNQFGZGQD-WBMJQRKESA-N 1 2 331.391 1.670 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)C1 ZINC000945385801 700207933 /nfs/dbraw/zinc/20/79/33/700207933.db2.gz QYRDVGUKUMFTAB-HUUCEWRRSA-N 1 2 330.432 1.593 20 30 EDEDLO CC#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756147 698426043 /nfs/dbraw/zinc/42/60/43/698426043.db2.gz DQMGXYGELRCAJB-QAQDUYKDSA-N 1 2 344.459 1.868 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000938697265 698517936 /nfs/dbraw/zinc/51/79/36/698517936.db2.gz LXHLLASDBNXICB-ZDUSSCGKSA-N 1 2 330.432 1.761 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cnn3c2CCCC3)C1 ZINC001032106075 698853862 /nfs/dbraw/zinc/85/38/62/698853862.db2.gz SHNHTMPAIZADLL-UHFFFAOYSA-N 1 2 349.438 1.953 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4cnccc4o3)CC2)C1 ZINC000941475703 701551582 /nfs/dbraw/zinc/55/15/82/701551582.db2.gz WKQOEQXGNPTCBM-UHFFFAOYSA-N 1 2 338.411 1.293 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000939066774 699134957 /nfs/dbraw/zinc/13/49/57/699134957.db2.gz ZTZOQLCXCFMZDE-MRXNPFEDSA-N 1 2 344.459 1.768 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(F)ccc3Cl)CC2)C1 ZINC000941580282 701588638 /nfs/dbraw/zinc/58/86/38/701588638.db2.gz ZVOMOAPZWOQTEK-UHFFFAOYSA-N 1 2 349.837 1.944 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnnc4ccccc43)CC2)C1 ZINC000941582295 701589393 /nfs/dbraw/zinc/58/93/93/701589393.db2.gz LCVZYZKKYREXQJ-UHFFFAOYSA-N 1 2 349.438 1.095 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3sc(CC)nc3C)CC2)C1 ZINC000941602834 701593324 /nfs/dbraw/zinc/59/33/24/701593324.db2.gz ARKBOZAONGNJHX-UHFFFAOYSA-N 1 2 346.500 1.479 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001067524712 701598523 /nfs/dbraw/zinc/59/85/23/701598523.db2.gz DOJOKURYTGTLHB-RDJZCZTQSA-N 1 2 348.447 1.240 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3coc(C4CCC4)n3)CC2)C1 ZINC000941635342 701601688 /nfs/dbraw/zinc/60/16/88/701601688.db2.gz RJXGZOGQSDPCTK-UHFFFAOYSA-N 1 2 342.443 1.407 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3oc(CC)cc3C)CC2)C1 ZINC000941639450 701603099 /nfs/dbraw/zinc/60/30/99/701603099.db2.gz SLDBLFVBKXGGIP-UHFFFAOYSA-N 1 2 329.444 1.616 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)c3ccc(F)cc3)CC2)C1 ZINC000941679235 701616777 /nfs/dbraw/zinc/61/67/77/701616777.db2.gz WEBKCUDUSVYEOP-IBGZPJMESA-N 1 2 343.446 1.781 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc(CC)s3)CC2)C1 ZINC000941681018 701617477 /nfs/dbraw/zinc/61/74/77/701617477.db2.gz ILRIRCCPEIDECK-UHFFFAOYSA-N 1 2 332.473 1.171 20 30 EDEDLO Cn1c(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)cccc1=O ZINC001031966970 701643040 /nfs/dbraw/zinc/64/30/40/701643040.db2.gz WHECBIMKOVFVBV-UHFFFAOYSA-N 1 2 336.395 1.119 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCN(C(=O)C#CC4CC4)C3)ccn12 ZINC000940597062 700773730 /nfs/dbraw/zinc/77/37/30/700773730.db2.gz PXYMWKIYRWDUBN-MRXNPFEDSA-N 1 2 336.395 1.387 20 30 EDEDLO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)nn1 ZINC000940685835 700845167 /nfs/dbraw/zinc/84/51/67/700845167.db2.gz ITEYJCXWYKJBJC-HNNXBMFYSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1cc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)nn1 ZINC000940685835 700845169 /nfs/dbraw/zinc/84/51/69/700845169.db2.gz ITEYJCXWYKJBJC-HNNXBMFYSA-N 1 2 341.419 1.045 20 30 EDEDLO C=CCOc1ccccc1C(=O)NC1CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995125160 701198278 /nfs/dbraw/zinc/19/82/78/701198278.db2.gz PPHKIMCQUXKFRK-UHFFFAOYSA-N 1 2 340.383 1.158 20 30 EDEDLO CC(C)(F)C(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941276869 701448730 /nfs/dbraw/zinc/44/87/30/701448730.db2.gz NTRKSCFJHVRODM-UHFFFAOYSA-N 1 2 344.434 1.635 20 30 EDEDLO CC[C@H](C)C(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941318997 701463208 /nfs/dbraw/zinc/46/32/08/701463208.db2.gz DBRMQOYWVDLIIV-INIZCTEOSA-N 1 2 340.471 1.933 20 30 EDEDLO C[C@H](c1ccc(F)cc1)[NH+]1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000941339043 701477619 /nfs/dbraw/zinc/47/76/19/701477619.db2.gz MBXFZHXNEUOBGS-LSDHHAIUSA-N 1 2 344.434 1.875 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccc2nonc2c1 ZINC001031943934 701482402 /nfs/dbraw/zinc/48/24/02/701482402.db2.gz NESMWYNBZASWKJ-UHFFFAOYSA-N 1 2 346.390 1.936 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cncc4ccccc43)CC2)C1 ZINC000941443971 701535918 /nfs/dbraw/zinc/53/59/18/701535918.db2.gz YBYPUXJOHRDEMJ-UHFFFAOYSA-N 1 2 348.450 1.239 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)noc3C(C)C)CC2)C1 ZINC000941444480 701536302 /nfs/dbraw/zinc/53/63/02/701536302.db2.gz OMPZXLZVIKIUEJ-UHFFFAOYSA-N 1 2 330.432 1.182 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccsc3COC)CC2)C1 ZINC000941455743 701542671 /nfs/dbraw/zinc/54/26/71/701542671.db2.gz CPWXHQSTFCCQIW-UHFFFAOYSA-N 1 2 347.484 1.360 20 30 EDEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCCN(C(=O)[C@@H](C)C#N)CC1)C2 ZINC000941449958 701546642 /nfs/dbraw/zinc/54/66/42/701546642.db2.gz XLHHUOFNXINPEF-GXTWGEPZSA-N 1 2 343.431 1.044 20 30 EDEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCCN(C(=O)[C@@H](C)C#N)CC1)CC2 ZINC000941449958 701546643 /nfs/dbraw/zinc/54/66/43/701546643.db2.gz XLHHUOFNXINPEF-GXTWGEPZSA-N 1 2 343.431 1.044 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1CCC(=O)N1 ZINC001032137954 701904739 /nfs/dbraw/zinc/90/47/39/701904739.db2.gz FUTAUCIDKDMNHA-INIZCTEOSA-N 1 2 345.830 1.018 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)s1 ZINC000941969040 702230921 /nfs/dbraw/zinc/23/09/21/702230921.db2.gz ZXKLWSZWVLABLT-GWCFXTLKSA-N 1 2 344.444 1.687 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)s1 ZINC000941969040 702230926 /nfs/dbraw/zinc/23/09/26/702230926.db2.gz ZXKLWSZWVLABLT-GWCFXTLKSA-N 1 2 344.444 1.687 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000942363053 702864342 /nfs/dbraw/zinc/86/43/42/702864342.db2.gz DFARDPAXOPBKBT-HUUCEWRRSA-N 1 2 342.443 1.519 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2oc(=O)n(C)c2c1 ZINC001032318185 703001472 /nfs/dbraw/zinc/00/14/72/703001472.db2.gz IXZLKDNBLNYOCM-UBHSHLNASA-N 1 2 340.383 1.076 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2oc(=O)n(C)c2c1 ZINC001032318185 703001474 /nfs/dbraw/zinc/00/14/74/703001474.db2.gz IXZLKDNBLNYOCM-UBHSHLNASA-N 1 2 340.383 1.076 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nonc3C)C[C@H]2C)cc1 ZINC000942553275 703065198 /nfs/dbraw/zinc/06/51/98/703065198.db2.gz NXONJWFZETXHCB-DYVFJYSZSA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nonc3C)C[C@H]2C)cc1 ZINC000942553275 703065201 /nfs/dbraw/zinc/06/52/01/703065201.db2.gz NXONJWFZETXHCB-DYVFJYSZSA-N 1 2 338.411 2.000 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 ZINC001032047361 703298278 /nfs/dbraw/zinc/29/82/78/703298278.db2.gz XQCMQDJCDBYZJU-HUUCEWRRSA-N 1 2 338.839 1.089 20 30 EDEDLO C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001060811736 703458850 /nfs/dbraw/zinc/45/88/50/703458850.db2.gz DZSNLCXEPVHEFV-KBUPBQIOSA-N 1 2 345.447 1.539 20 30 EDEDLO C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001060811736 703458851 /nfs/dbraw/zinc/45/88/51/703458851.db2.gz DZSNLCXEPVHEFV-KBUPBQIOSA-N 1 2 345.447 1.539 20 30 EDEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001060814635 703484453 /nfs/dbraw/zinc/48/44/53/703484453.db2.gz GAYCXRGILIPEIN-KKUMJFAQSA-N 1 2 345.447 1.304 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001033098325 704214789 /nfs/dbraw/zinc/21/47/89/704214789.db2.gz FPGVOVDVJNCSQV-SCRDCRAPSA-N 1 2 329.238 1.464 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]23C[C@H]2COC3)C1 ZINC001033098325 704214790 /nfs/dbraw/zinc/21/47/90/704214790.db2.gz FPGVOVDVJNCSQV-SCRDCRAPSA-N 1 2 329.238 1.464 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001033105353 704290773 /nfs/dbraw/zinc/29/07/73/704290773.db2.gz GGGJHDAIGJSCST-GFCCVEGCSA-N 1 2 340.859 1.256 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001033105353 704290775 /nfs/dbraw/zinc/29/07/75/704290775.db2.gz GGGJHDAIGJSCST-GFCCVEGCSA-N 1 2 340.859 1.256 20 30 EDEDLO Cc1nonc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001032224608 704775120 /nfs/dbraw/zinc/77/51/20/704775120.db2.gz LWOLUOGEYFHLCU-UHFFFAOYSA-N 1 2 328.347 1.230 20 30 EDEDLO CCc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)nn1C ZINC001032228476 704899828 /nfs/dbraw/zinc/89/98/28/704899828.db2.gz LLFJELVZIJXFFD-UHFFFAOYSA-N 1 2 336.439 1.696 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCN(CC(F)F)C1 ZINC001032589294 705148359 /nfs/dbraw/zinc/14/83/59/705148359.db2.gz KXAZNTPPBHMYBG-KKUMJFAQSA-N 1 2 325.403 1.272 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCN(CC(F)F)C1 ZINC001032589294 705148363 /nfs/dbraw/zinc/14/83/63/705148363.db2.gz KXAZNTPPBHMYBG-KKUMJFAQSA-N 1 2 325.403 1.272 20 30 EDEDLO CCCc1noc(C[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998969293 706389974 /nfs/dbraw/zinc/38/99/74/706389974.db2.gz KQPRYGZQMCKYBK-ZDUSSCGKSA-N 1 2 342.403 1.616 20 30 EDEDLO COc1nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)co1 ZINC001033305688 707454258 /nfs/dbraw/zinc/45/42/58/707454258.db2.gz YQIWRRYABMUMPQ-HNNXBMFYSA-N 1 2 340.383 1.901 20 30 EDEDLO COc1nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)co1 ZINC001033305688 707454259 /nfs/dbraw/zinc/45/42/59/707454259.db2.gz YQIWRRYABMUMPQ-HNNXBMFYSA-N 1 2 340.383 1.901 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2C(N)=O)C1 ZINC001033324005 707527670 /nfs/dbraw/zinc/52/76/70/707527670.db2.gz LKSWQIJGJVILHM-AWEZNQCLSA-N 1 2 335.835 1.613 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccccc2C(N)=O)C1 ZINC001033324005 707527674 /nfs/dbraw/zinc/52/76/74/707527674.db2.gz LKSWQIJGJVILHM-AWEZNQCLSA-N 1 2 335.835 1.613 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC001033359134 707684762 /nfs/dbraw/zinc/68/47/62/707684762.db2.gz UKAAFHOBKPLPDE-KGLIPLIRSA-N 1 2 327.856 1.671 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2C(C)C)C1 ZINC001033359134 707684766 /nfs/dbraw/zinc/68/47/66/707684766.db2.gz UKAAFHOBKPLPDE-KGLIPLIRSA-N 1 2 327.856 1.671 20 30 EDEDLO C=C1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH2+]Cc2nnn(C)n2)CC1 ZINC001004938786 707707106 /nfs/dbraw/zinc/70/71/06/707707106.db2.gz SZTRYLMSMOUUAC-GDBMZVCRSA-N 1 2 346.479 1.816 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1CN2CC#Cc1ccccc1 ZINC001032754056 707829860 /nfs/dbraw/zinc/82/98/60/707829860.db2.gz VQRPGBVTLDGDRI-ROUUACIJSA-N 1 2 334.423 1.597 20 30 EDEDLO Cc1nnc(C[NH+]2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)o1 ZINC001005225671 708296356 /nfs/dbraw/zinc/29/63/56/708296356.db2.gz NKCMTPSOTRCNJX-UHFFFAOYSA-N 1 2 328.376 1.314 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cnc(C)nc3)C2)nc1 ZINC001033595497 708299146 /nfs/dbraw/zinc/29/91/46/708299146.db2.gz CRJGGCMCQFCFHB-KRWDZBQOSA-N 1 2 335.411 1.508 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)nc1 ZINC001033595497 708299149 /nfs/dbraw/zinc/29/91/49/708299149.db2.gz CRJGGCMCQFCFHB-KRWDZBQOSA-N 1 2 335.411 1.508 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnc(C)cn3)C2)cn1 ZINC001033606042 708328391 /nfs/dbraw/zinc/32/83/91/708328391.db2.gz ZIHVQGJTVOLCHO-GOSISDBHSA-N 1 2 335.411 1.508 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)cn1 ZINC001033606042 708328392 /nfs/dbraw/zinc/32/83/92/708328392.db2.gz ZIHVQGJTVOLCHO-GOSISDBHSA-N 1 2 335.411 1.508 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CCOC)c2)C1 ZINC001033625562 708365060 /nfs/dbraw/zinc/36/50/60/708365060.db2.gz VXFIWZQHEAEIND-AWEZNQCLSA-N 1 2 326.828 1.428 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CCOC)c2)C1 ZINC001033625562 708365063 /nfs/dbraw/zinc/36/50/63/708365063.db2.gz VXFIWZQHEAEIND-AWEZNQCLSA-N 1 2 326.828 1.428 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCCOC2)CC1 ZINC001002435751 708955495 /nfs/dbraw/zinc/95/54/95/708955495.db2.gz VUJYKVPNCXKYJW-LBPRGKRZSA-N 1 2 331.254 1.902 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H](Nc2nccnc2C#N)C1 ZINC001061096794 709041866 /nfs/dbraw/zinc/04/18/66/709041866.db2.gz XVKDFBVSHBSYHN-OLZOCXBDSA-N 1 2 339.403 1.164 20 30 EDEDLO Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)o1 ZINC001002550174 709097830 /nfs/dbraw/zinc/09/78/30/709097830.db2.gz BYMCNSSXGNATTG-JTQLQIEISA-N 1 2 328.376 1.533 20 30 EDEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001061102577 709098132 /nfs/dbraw/zinc/09/81/32/709098132.db2.gz PYTOLWOUMIFMAC-HUUCEWRRSA-N 1 2 344.459 1.861 20 30 EDEDLO Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001002545699 709107715 /nfs/dbraw/zinc/10/77/15/709107715.db2.gz QEXUBZPZXNAWIG-SNVBAGLBSA-N 1 2 328.376 1.533 20 30 EDEDLO CCN(C(=O)c1nc[nH]n1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033994813 709205084 /nfs/dbraw/zinc/20/50/84/709205084.db2.gz PWOMGLHQQDDIFC-AWEZNQCLSA-N 1 2 342.378 1.552 20 30 EDEDLO CCN(C(=O)c1nc[nH]n1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033994813 709205088 /nfs/dbraw/zinc/20/50/88/709205088.db2.gz PWOMGLHQQDDIFC-AWEZNQCLSA-N 1 2 342.378 1.552 20 30 EDEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cn[nH]n3)C2)ccc1F ZINC001034285008 709686981 /nfs/dbraw/zinc/68/69/81/709686981.db2.gz JRYDUXIBUREVQM-CQSZACIVSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)c3cn[nH]n3)C2)ccc1F ZINC001034285008 709686982 /nfs/dbraw/zinc/68/69/82/709686982.db2.gz JRYDUXIBUREVQM-CQSZACIVSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cnn[nH]3)C2)ccc1F ZINC001034285008 709686983 /nfs/dbraw/zinc/68/69/83/709686983.db2.gz JRYDUXIBUREVQM-CQSZACIVSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)c3cnn[nH]3)C2)ccc1F ZINC001034285008 709686984 /nfs/dbraw/zinc/68/69/84/709686984.db2.gz JRYDUXIBUREVQM-CQSZACIVSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3cn[nH]n3)C2)s1 ZINC001034286396 709706438 /nfs/dbraw/zinc/70/64/38/709706438.db2.gz QDZGKVQXYLKVFU-LLVKDONJSA-N 1 2 330.417 1.522 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cn[nH]n3)C2)s1 ZINC001034286396 709706441 /nfs/dbraw/zinc/70/64/41/709706441.db2.gz QDZGKVQXYLKVFU-LLVKDONJSA-N 1 2 330.417 1.522 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3cnn[nH]3)C2)s1 ZINC001034286396 709706445 /nfs/dbraw/zinc/70/64/45/709706445.db2.gz QDZGKVQXYLKVFU-LLVKDONJSA-N 1 2 330.417 1.522 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cnn[nH]3)C2)s1 ZINC001034286396 709706450 /nfs/dbraw/zinc/70/64/50/709706450.db2.gz QDZGKVQXYLKVFU-LLVKDONJSA-N 1 2 330.417 1.522 20 30 EDEDLO Cc1nsc(N(C)[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1C#N ZINC001061227130 709797789 /nfs/dbraw/zinc/79/77/89/709797789.db2.gz FGTUEDTVQUOWIP-GFCCVEGCSA-N 1 2 344.444 1.716 20 30 EDEDLO CN(c1nccnc1C#N)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001061243273 709932818 /nfs/dbraw/zinc/93/28/18/709932818.db2.gz BDFVOHYXXGQHPM-AWEZNQCLSA-N 1 2 339.403 1.062 20 30 EDEDLO C=CCCn1cc(C(=O)NC2CC[NH+](Cc3nocc3C)CC2)nn1 ZINC001003766557 710543416 /nfs/dbraw/zinc/54/34/16/710543416.db2.gz NFJDOOIYBVVJNV-UHFFFAOYSA-N 1 2 344.419 1.545 20 30 EDEDLO COc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001032984559 711141364 /nfs/dbraw/zinc/14/13/64/711141364.db2.gz BFSNLBHGPPXJDL-CQSZACIVSA-N 1 2 340.387 1.031 20 30 EDEDLO COc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001032984559 711141369 /nfs/dbraw/zinc/14/13/69/711141369.db2.gz BFSNLBHGPPXJDL-CQSZACIVSA-N 1 2 340.387 1.031 20 30 EDEDLO Cc1nc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)no1 ZINC001034911736 711340255 /nfs/dbraw/zinc/34/02/55/711340255.db2.gz KSYZPKOEJQXPMA-QMTHXVAHSA-N 1 2 328.376 1.533 20 30 EDEDLO COCc1noc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC001034935745 711363339 /nfs/dbraw/zinc/36/33/39/711363339.db2.gz WWMLNYSUKXSDAC-GXTWGEPZSA-N 1 2 332.404 1.271 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3nc[nH]c3n2)CC1 ZINC001004468586 711843651 /nfs/dbraw/zinc/84/36/51/711843651.db2.gz HPACAUXGJMCWCM-INIZCTEOSA-N 1 2 338.415 1.798 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3nc[nH]c3n2)CC1 ZINC001004468586 711843653 /nfs/dbraw/zinc/84/36/53/711843653.db2.gz HPACAUXGJMCWCM-INIZCTEOSA-N 1 2 338.415 1.798 20 30 EDEDLO N#CCN1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004473872 711850535 /nfs/dbraw/zinc/85/05/35/711850535.db2.gz MUHWATQZDBDSPG-WMZOPIPTSA-N 1 2 341.459 1.672 20 30 EDEDLO CC(=O)N1CCC[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004474893 711851778 /nfs/dbraw/zinc/85/17/78/711851778.db2.gz FTNGEWXTWRDHJD-ZWKOTPCHSA-N 1 2 346.475 1.471 20 30 EDEDLO CC(=O)N1CCC[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004474893 711851779 /nfs/dbraw/zinc/85/17/79/711851779.db2.gz FTNGEWXTWRDHJD-ZWKOTPCHSA-N 1 2 346.475 1.471 20 30 EDEDLO CN(C)c1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000176767435 529783907 /nfs/dbraw/zinc/78/39/07/529783907.db2.gz DNWNLMPWJUDATD-UHFFFAOYSA-N 1 2 345.447 1.832 20 30 EDEDLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1coc(C2CCCCC2)n1 ZINC000328762909 539363275 /nfs/dbraw/zinc/36/32/75/539363275.db2.gz ZPICNQPEGGUAJZ-CQSZACIVSA-N 1 2 337.420 1.720 20 30 EDEDLO N#Cc1cc(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)ncn1 ZINC000559495385 306255834 /nfs/dbraw/zinc/25/58/34/306255834.db2.gz GKBRPGKFNZNYHK-QGZVFWFLSA-N 1 2 348.410 1.276 20 30 EDEDLO Cc1ccc(N2CCC[C@H]([NH+]=C([O-])N3CCn4cc[nH+]c4C3)C2)nn1 ZINC000329408226 539434571 /nfs/dbraw/zinc/43/45/71/539434571.db2.gz DCFWIXZLXVXEJU-AWEZNQCLSA-N 1 2 341.419 1.380 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NCC(=O)NC2CCCCC2)C1 ZINC000329506888 539440623 /nfs/dbraw/zinc/44/06/23/539440623.db2.gz ZSVDIHUGSIHVQM-CQSZACIVSA-N 1 2 325.457 1.025 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NCC(=O)NC2CCCCC2)C1 ZINC000329506888 539440627 /nfs/dbraw/zinc/44/06/27/539440627.db2.gz ZSVDIHUGSIHVQM-CQSZACIVSA-N 1 2 325.457 1.025 20 30 EDEDLO Cn1c2nnc(C[NH2+][C@H]3CCC[C@@H]3C#N)n2c2ccsc2c1=O ZINC000329585287 539445719 /nfs/dbraw/zinc/44/57/19/539445719.db2.gz MEFAQLSGHSOVII-ZJUUUORDSA-N 1 2 328.401 1.425 20 30 EDEDLO CC(C)(CNC(=O)CN1C(=O)NC(=O)C1(C)C)[NH+]1CCOCC1 ZINC000329727277 539460460 /nfs/dbraw/zinc/46/04/60/539460460.db2.gz FDHWMCCNAFCVAX-UHFFFAOYSA-N 1 2 326.397 1.224 20 30 EDEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329740013 539461617 /nfs/dbraw/zinc/46/16/17/539461617.db2.gz NVJIKKMHEQITOS-GOEBONIOSA-N 1 2 337.464 1.845 20 30 EDEDLO COc1ccc2c(c1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)CCC2 ZINC000330126440 539499011 /nfs/dbraw/zinc/49/90/11/539499011.db2.gz MJPIKBHDWDNRBA-CQSZACIVSA-N 1 2 332.448 1.756 20 30 EDEDLO COc1ccc2c(c1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)CCC2 ZINC000330126440 539499016 /nfs/dbraw/zinc/49/90/16/539499016.db2.gz MJPIKBHDWDNRBA-CQSZACIVSA-N 1 2 332.448 1.756 20 30 EDEDLO C=CCCn1cc(C[N@@H+](C)CCn2cc(Br)cn2)nn1 ZINC000653678424 452073582 /nfs/dbraw/zinc/07/35/82/452073582.db2.gz IUDABMIYHOYOHS-UHFFFAOYSA-N 1 2 339.241 1.945 20 30 EDEDLO CCOCCNC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000084679147 138270073 /nfs/dbraw/zinc/27/00/73/138270073.db2.gz OOOWOBJLUVIGHC-UHFFFAOYSA-N 1 2 344.459 1.219 20 30 EDEDLO CCOCCNC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000084679147 138270074 /nfs/dbraw/zinc/27/00/74/138270074.db2.gz OOOWOBJLUVIGHC-UHFFFAOYSA-N 1 2 344.459 1.219 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000115005124 138311065 /nfs/dbraw/zinc/31/10/65/138311065.db2.gz CIPYHOBJHCFBMS-SFHVURJKSA-N 1 2 336.395 1.584 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000115005124 138311066 /nfs/dbraw/zinc/31/10/66/138311066.db2.gz CIPYHOBJHCFBMS-SFHVURJKSA-N 1 2 336.395 1.584 20 30 EDEDLO N#CCCN(C(=O)CCC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000066620993 236923983 /nfs/dbraw/zinc/92/39/83/236923983.db2.gz KEIFAGPDEQUOIK-UHFFFAOYSA-N 1 2 339.399 1.726 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558451 237036031 /nfs/dbraw/zinc/03/60/31/237036031.db2.gz VQIUBVFFTDUPRS-CQSZACIVSA-N 1 2 343.406 1.580 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000109034787 237106095 /nfs/dbraw/zinc/10/60/95/237106095.db2.gz HCDMTZCAKPTSBR-CYBMUJFWSA-N 1 2 346.456 1.793 20 30 EDEDLO N#CC1(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000132697937 237235374 /nfs/dbraw/zinc/23/53/74/237235374.db2.gz NEXPZFMNEZEIEX-UHFFFAOYSA-N 1 2 341.415 1.073 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000110631083 220050232 /nfs/dbraw/zinc/05/02/32/220050232.db2.gz IDPJVGJHSVJPBE-INIZCTEOSA-N 1 2 345.443 1.944 20 30 EDEDLO CCCn1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cn1 ZINC000246196160 139098838 /nfs/dbraw/zinc/09/88/38/139098838.db2.gz LNCXIPYQADALMP-CQSZACIVSA-N 1 2 325.420 1.665 20 30 EDEDLO CCCn1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cn1 ZINC000246196160 139098839 /nfs/dbraw/zinc/09/88/39/139098839.db2.gz LNCXIPYQADALMP-CQSZACIVSA-N 1 2 325.420 1.665 20 30 EDEDLO Cc1noc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)C2CCOCC2)n1 ZINC000345777915 250035588 /nfs/dbraw/zinc/03/55/88/250035588.db2.gz FXTCHWLNBNREOK-RDJZCZTQSA-N 1 2 349.435 1.490 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000347773939 250053302 /nfs/dbraw/zinc/05/33/02/250053302.db2.gz GJNJLYDEXCRHBB-UHFFFAOYSA-N 1 2 333.432 1.324 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000347773939 250053306 /nfs/dbraw/zinc/05/33/06/250053306.db2.gz GJNJLYDEXCRHBB-UHFFFAOYSA-N 1 2 333.432 1.324 20 30 EDEDLO C=CCOCC(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000354876919 250100534 /nfs/dbraw/zinc/10/05/34/250100534.db2.gz KOAFWINBUGOWDY-UHFFFAOYSA-N 1 2 344.415 1.579 20 30 EDEDLO C=CCOc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1OC ZINC000355087946 250105880 /nfs/dbraw/zinc/10/58/80/250105880.db2.gz NZGQLOINNMDZOD-AWEZNQCLSA-N 1 2 334.416 1.711 20 30 EDEDLO C=CCOc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1OC ZINC000355087946 250105885 /nfs/dbraw/zinc/10/58/85/250105885.db2.gz NZGQLOINNMDZOD-AWEZNQCLSA-N 1 2 334.416 1.711 20 30 EDEDLO C=CCSCCNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000355285936 250111037 /nfs/dbraw/zinc/11/10/37/250111037.db2.gz FILVAYUEDKFQOG-ZDUSSCGKSA-N 1 2 336.461 1.221 20 30 EDEDLO C=CCNC(=O)c1ccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)nc1 ZINC000354614376 250094939 /nfs/dbraw/zinc/09/49/39/250094939.db2.gz RXIQRFWXYZTYLD-UHFFFAOYSA-N 1 2 326.404 1.043 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000358624431 250139330 /nfs/dbraw/zinc/13/93/30/250139330.db2.gz FMTDMLDFWBXKDH-HNNXBMFYSA-N 1 2 349.479 1.264 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C[C@@H](C#N)CCC#N ZINC000363006296 250184301 /nfs/dbraw/zinc/18/43/01/250184301.db2.gz CYLAMRIVBZFHFA-PBHICJAKSA-N 1 2 336.399 1.559 20 30 EDEDLO CCn1cc[nH+]c1CN1CCCN(C(=O)C#Cc2ccccc2)CC1 ZINC000374030089 250250399 /nfs/dbraw/zinc/25/03/99/250250399.db2.gz CTLKHJSLDSMVDU-UHFFFAOYSA-N 1 2 336.439 1.989 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CC(n2nc(C)nc2C)C1 ZINC000424130394 252133308 /nfs/dbraw/zinc/13/33/08/252133308.db2.gz FDPALWMHVDJXHB-GOSISDBHSA-N 1 2 342.443 1.920 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000263848398 139364438 /nfs/dbraw/zinc/36/44/38/139364438.db2.gz YGWIHWCUUPNRKE-UHFFFAOYSA-N 1 2 347.415 1.173 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000263848398 139364439 /nfs/dbraw/zinc/36/44/39/139364439.db2.gz YGWIHWCUUPNRKE-UHFFFAOYSA-N 1 2 347.415 1.173 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cn2ccc(Br)n2)CC1 ZINC000491067476 255118193 /nfs/dbraw/zinc/11/81/93/255118193.db2.gz 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/nfs/dbraw/zinc/35/38/33/267353833.db2.gz YNKHKTSUNDYOHO-ZDUSSCGKSA-N 1 2 339.403 1.425 20 30 EDEDLO Cc1cc(S(=O)(=O)NC(C)(C)C[NH+]2CCOCC2)ccc1C#N ZINC000308681995 267356540 /nfs/dbraw/zinc/35/65/40/267356540.db2.gz ANODKHNBGYVSOA-UHFFFAOYSA-N 1 2 337.445 1.256 20 30 EDEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000083536979 267403000 /nfs/dbraw/zinc/40/30/00/267403000.db2.gz BVLXLIYXQCWZFI-UHFFFAOYSA-N 1 2 347.362 1.903 20 30 EDEDLO N#Cc1ccc(CC(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000194729517 268056719 /nfs/dbraw/zinc/05/67/19/268056719.db2.gz OWQYXKOEKMPAJL-UHFFFAOYSA-N 1 2 336.395 1.649 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000366217112 268083585 /nfs/dbraw/zinc/08/35/85/268083585.db2.gz NBAVQNUAUKXBTE-ZWKOTPCHSA-N 1 2 338.411 1.174 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000349826328 268084207 /nfs/dbraw/zinc/08/42/07/268084207.db2.gz AZEDWOUANZIKST-KRWDZBQOSA-N 1 2 348.410 1.308 20 30 EDEDLO Cc1ncc(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3C)cc1C#N ZINC000427778194 268086481 /nfs/dbraw/zinc/08/64/81/268086481.db2.gz IGOZZHFLZYAFEI-UHFFFAOYSA-N 1 2 327.369 1.949 20 30 EDEDLO Cc1noc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2C#N)n1 ZINC000528505455 268099292 /nfs/dbraw/zinc/09/92/92/268099292.db2.gz OIEITPSXZFELPN-GJZGRUSLSA-N 1 2 328.372 1.827 20 30 EDEDLO Cc1noc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2C#N)n1 ZINC000528505455 268099295 /nfs/dbraw/zinc/09/92/95/268099295.db2.gz OIEITPSXZFELPN-GJZGRUSLSA-N 1 2 328.372 1.827 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](C(=O)NCCn3cc[nH+]c3)C2)c(F)c1 ZINC000286053861 268122642 /nfs/dbraw/zinc/12/26/42/268122642.db2.gz OURDTCUFOYCVLJ-CQSZACIVSA-N 1 2 327.363 1.537 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](C(=O)NCCCn3cc[nH+]c3)C2)c(F)c1 ZINC000285965707 268126239 /nfs/dbraw/zinc/12/62/39/268126239.db2.gz OKILPSGUTNUFRX-HNNXBMFYSA-N 1 2 341.390 1.927 20 30 EDEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000443509491 268167225 /nfs/dbraw/zinc/16/72/25/268167225.db2.gz LAAKVOAAPJQONG-UHFFFAOYSA-N 1 2 347.356 1.252 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)nc1 ZINC000290410855 268188881 /nfs/dbraw/zinc/18/88/81/268188881.db2.gz UFZNBOSEUMYFBF-WBVHZDCISA-N 1 2 349.456 1.354 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)nc1 ZINC000290410855 268188882 /nfs/dbraw/zinc/18/88/82/268188882.db2.gz UFZNBOSEUMYFBF-WBVHZDCISA-N 1 2 349.456 1.354 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)o1 ZINC000286604200 268201818 /nfs/dbraw/zinc/20/18/18/268201818.db2.gz LKULJCSHENESOY-UHFFFAOYSA-N 1 2 337.426 1.549 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)o1 ZINC000286604200 268201821 /nfs/dbraw/zinc/20/18/21/268201821.db2.gz LKULJCSHENESOY-UHFFFAOYSA-N 1 2 337.426 1.549 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1 ZINC000528793152 268225724 /nfs/dbraw/zinc/22/57/24/268225724.db2.gz XZEHCJDQEDPTQN-MRXNPFEDSA-N 1 2 337.383 1.507 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)cc1 ZINC000528793152 268225725 /nfs/dbraw/zinc/22/57/25/268225725.db2.gz XZEHCJDQEDPTQN-MRXNPFEDSA-N 1 2 337.383 1.507 20 30 EDEDLO N#Cc1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1F ZINC000456830728 268231057 /nfs/dbraw/zinc/23/10/57/268231057.db2.gz GAFJQOUAUOEMMI-KRWDZBQOSA-N 1 2 331.391 1.957 20 30 EDEDLO N#Cc1ccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1F ZINC000456830728 268231060 /nfs/dbraw/zinc/23/10/60/268231060.db2.gz GAFJQOUAUOEMMI-KRWDZBQOSA-N 1 2 331.391 1.957 20 30 EDEDLO N#Cc1ccc(N2C[C@H](C(=O)NCc3[nH]cc[nH+]3)CC2=O)cc1Cl ZINC000448964805 268236967 /nfs/dbraw/zinc/23/69/67/268236967.db2.gz WILITYRVVMYHOF-LLVKDONJSA-N 1 2 343.774 1.604 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000528452728 268301693 /nfs/dbraw/zinc/30/16/93/268301693.db2.gz MRGXOVVTWQZAJJ-ZACQAIPSSA-N 1 2 344.411 1.368 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000528452728 268301694 /nfs/dbraw/zinc/30/16/94/268301694.db2.gz MRGXOVVTWQZAJJ-ZACQAIPSSA-N 1 2 344.411 1.368 20 30 EDEDLO N#Cc1cnc(N2CC[NH+](Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 ZINC000295560677 268311147 /nfs/dbraw/zinc/31/11/47/268311147.db2.gz QGIOAONIDSDDGH-UHFFFAOYSA-N 1 2 339.355 1.889 20 30 EDEDLO Cc1noc([C@@H]2C[N@@H+](Cc3cn4ccccc4c3C#N)CCN2C)n1 ZINC000284804620 274338749 /nfs/dbraw/zinc/33/87/49/274338749.db2.gz IHFHZBHESXJETR-KRWDZBQOSA-N 1 2 336.399 1.991 20 30 EDEDLO Cc1noc([C@@H]2C[N@H+](Cc3cn4ccccc4c3C#N)CCN2C)n1 ZINC000284804620 274338751 /nfs/dbraw/zinc/33/87/51/274338751.db2.gz IHFHZBHESXJETR-KRWDZBQOSA-N 1 2 336.399 1.991 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)[nH]1 ZINC000131073463 294902668 /nfs/dbraw/zinc/90/26/68/294902668.db2.gz VQJRDVMAVZUNLJ-KRWDZBQOSA-N 1 2 338.411 1.560 20 30 EDEDLO C[C@@H]1OCC[C@]1(C)NC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329361289 297638835 /nfs/dbraw/zinc/63/88/35/297638835.db2.gz YJBGOJSZVUTBIF-JDFRZJQESA-N 1 2 336.436 1.959 20 30 EDEDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000321452126 300308757 /nfs/dbraw/zinc/30/87/57/300308757.db2.gz YCFQHQZIOAOJLA-GXTWGEPZSA-N 1 2 337.420 1.945 20 30 EDEDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000321452126 300308758 /nfs/dbraw/zinc/30/87/58/300308758.db2.gz YCFQHQZIOAOJLA-GXTWGEPZSA-N 1 2 337.420 1.945 20 30 EDEDLO N#Cc1ccc(NCc2ccc[nH+]c2N2CCC[C@@H](C(N)=O)C2)nc1 ZINC000301175774 303664624 /nfs/dbraw/zinc/66/46/24/303664624.db2.gz GDOUQBGQLAXTAW-OAHLLOKOSA-N 1 2 336.399 1.662 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCS(=O)(=O)[C@H]4CCCC[C@@H]43)n2c1 ZINC000539831514 306037598 /nfs/dbraw/zinc/03/75/98/306037598.db2.gz CATSLZYUHOLBMW-HOTGVXAUSA-N 1 2 344.440 1.748 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000555684697 306205093 /nfs/dbraw/zinc/20/50/93/306205093.db2.gz HLCNJFUKODVPBO-JTQLQIEISA-N 1 2 342.321 1.423 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000555684697 306205094 /nfs/dbraw/zinc/20/50/94/306205094.db2.gz HLCNJFUKODVPBO-JTQLQIEISA-N 1 2 342.321 1.423 20 30 EDEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1COc2ccccc2O1 ZINC000011224025 441118636 /nfs/dbraw/zinc/11/86/36/441118636.db2.gz PYZWXHMVMNVBCC-KDOFPFPSSA-N 1 2 329.400 1.567 20 30 EDEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1COc2ccccc2O1 ZINC000011224025 441118640 /nfs/dbraw/zinc/11/86/40/441118640.db2.gz PYZWXHMVMNVBCC-KDOFPFPSSA-N 1 2 329.400 1.567 20 30 EDEDLO N#CCCN(CCC(=O)Nc1cccc(F)c1)CC[NH+]1CCOCC1 ZINC000081158391 441237522 /nfs/dbraw/zinc/23/75/22/441237522.db2.gz NPDLFRWFNYXUGU-UHFFFAOYSA-N 1 2 348.422 1.702 20 30 EDEDLO N#CCC[N@@H+](CCC(=O)Nc1cccc(F)c1)CCN1CCOCC1 ZINC000081158391 441237527 /nfs/dbraw/zinc/23/75/27/441237527.db2.gz NPDLFRWFNYXUGU-UHFFFAOYSA-N 1 2 348.422 1.702 20 30 EDEDLO N#CCC[N@H+](CCC(=O)Nc1cccc(F)c1)CCN1CCOCC1 ZINC000081158391 441237531 /nfs/dbraw/zinc/23/75/31/441237531.db2.gz NPDLFRWFNYXUGU-UHFFFAOYSA-N 1 2 348.422 1.702 20 30 EDEDLO N#CCCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000104725379 441201714 /nfs/dbraw/zinc/20/17/14/441201714.db2.gz IDJXWNXEHMLUTO-AWEZNQCLSA-N 1 2 325.409 1.872 20 30 EDEDLO N#CCCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000104725379 441201716 /nfs/dbraw/zinc/20/17/16/441201716.db2.gz IDJXWNXEHMLUTO-AWEZNQCLSA-N 1 2 325.409 1.872 20 30 EDEDLO COc1ccccc1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060634022 441254353 /nfs/dbraw/zinc/25/43/53/441254353.db2.gz AVCCLMHAXAURHP-UHFFFAOYSA-N 1 2 347.415 1.148 20 30 EDEDLO CC[N@H+](CCC#N)[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000081514992 441280095 /nfs/dbraw/zinc/28/00/95/441280095.db2.gz DZUXJLJZNIMPNV-LSDHHAIUSA-N 1 2 331.416 1.909 20 30 EDEDLO CC[N@@H+](CCC#N)[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000081514992 441280098 /nfs/dbraw/zinc/28/00/98/441280098.db2.gz DZUXJLJZNIMPNV-LSDHHAIUSA-N 1 2 331.416 1.909 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)c1ccc(F)cc1F ZINC000081515433 441280617 /nfs/dbraw/zinc/28/06/17/441280617.db2.gz QQQMKZNGKSSMAH-KRWDZBQOSA-N 1 2 339.386 1.546 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000073614380 441333271 /nfs/dbraw/zinc/33/32/71/441333271.db2.gz UBSOXOAVFRYAKO-UHFFFAOYSA-N 1 2 348.491 1.847 20 30 EDEDLO CC[N@@H+]1CCO[C@H](C(=O)Nc2nc(C)c(SCC#N)s2)C1 ZINC000073232743 441302743 /nfs/dbraw/zinc/30/27/43/441302743.db2.gz FSGUAUXLRIHLLA-JTQLQIEISA-N 1 2 326.447 1.726 20 30 EDEDLO CC[N@H+]1CCO[C@H](C(=O)Nc2nc(C)c(SCC#N)s2)C1 ZINC000073232743 441302748 /nfs/dbraw/zinc/30/27/48/441302748.db2.gz FSGUAUXLRIHLLA-JTQLQIEISA-N 1 2 326.447 1.726 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090541 441382878 /nfs/dbraw/zinc/38/28/78/441382878.db2.gz AXRKXMLMNYXOFX-CABCVRRESA-N 1 2 328.478 1.475 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090541 441382880 /nfs/dbraw/zinc/38/28/80/441382880.db2.gz AXRKXMLMNYXOFX-CABCVRRESA-N 1 2 328.478 1.475 20 30 EDEDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000051181219 441402369 /nfs/dbraw/zinc/40/23/69/441402369.db2.gz HUVFNKCHIDIYPA-OAHLLOKOSA-N 1 2 342.443 1.222 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000051181219 441402372 /nfs/dbraw/zinc/40/23/72/441402372.db2.gz HUVFNKCHIDIYPA-OAHLLOKOSA-N 1 2 342.443 1.222 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nnn(-c3ccc(Cl)cc3)c2=S)CC1 ZINC000074171275 441403110 /nfs/dbraw/zinc/40/31/10/441403110.db2.gz XBZLMBNIECDUKA-UHFFFAOYSA-N 1 2 348.863 1.660 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000052846362 441479751 /nfs/dbraw/zinc/47/97/51/441479751.db2.gz XSVCEZQWEVPQOQ-QGZVFWFLSA-N 1 2 341.455 1.640 20 30 EDEDLO C#CC[N@H+](CC(=O)NCC(=O)NC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000052846362 441479755 /nfs/dbraw/zinc/47/97/55/441479755.db2.gz XSVCEZQWEVPQOQ-QGZVFWFLSA-N 1 2 341.455 1.640 20 30 EDEDLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444962 441459113 /nfs/dbraw/zinc/45/91/13/441459113.db2.gz FPGFGQSPJUJAIT-INIZCTEOSA-N 1 2 349.438 1.780 20 30 EDEDLO C=C(C)C[N@@H+](CC)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000066560236 441543985 /nfs/dbraw/zinc/54/39/85/441543985.db2.gz JJCJOYSTNCDWBY-INIZCTEOSA-N 1 2 342.505 1.843 20 30 EDEDLO C=C(C)C[N@H+](CC)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000066560236 441543988 /nfs/dbraw/zinc/54/39/88/441543988.db2.gz JJCJOYSTNCDWBY-INIZCTEOSA-N 1 2 342.505 1.843 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054296183 441569868 /nfs/dbraw/zinc/56/98/68/441569868.db2.gz UQUCJMPHHQUPPI-UHFFFAOYSA-N 1 2 343.427 1.902 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000076797534 441686005 /nfs/dbraw/zinc/68/60/05/441686005.db2.gz IUNDYNPLNYHZEO-MRXNPFEDSA-N 1 2 329.448 1.207 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858389 441691603 /nfs/dbraw/zinc/69/16/03/441691603.db2.gz KSCHPVGTUFIMRD-XJKSGUPXSA-N 1 2 329.400 1.305 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858389 441691607 /nfs/dbraw/zinc/69/16/07/441691607.db2.gz KSCHPVGTUFIMRD-XJKSGUPXSA-N 1 2 329.400 1.305 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCOCC3CC3)CC2)cc1 ZINC000158627437 441750870 /nfs/dbraw/zinc/75/08/70/441750870.db2.gz ZACLGAVQUDWSAT-UHFFFAOYSA-N 1 2 349.456 1.291 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCCO3)CC2)cc1 ZINC000139570249 441821009 /nfs/dbraw/zinc/82/10/09/441821009.db2.gz ANEPZAMVRIERLF-GOSISDBHSA-N 1 2 342.443 1.955 20 30 EDEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000160775525 441919541 /nfs/dbraw/zinc/91/95/41/441919541.db2.gz PLIOCPBLYGNKGS-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO COCCc1noc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)n1 ZINC000151091661 442003796 /nfs/dbraw/zinc/00/37/96/442003796.db2.gz KQJKDXOMUITRLK-UHFFFAOYSA-N 1 2 349.416 1.652 20 30 EDEDLO COCCc1noc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)n1 ZINC000151091661 442003798 /nfs/dbraw/zinc/00/37/98/442003798.db2.gz KQJKDXOMUITRLK-UHFFFAOYSA-N 1 2 349.416 1.652 20 30 EDEDLO COC(=O)[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C(C)(C)C ZINC000127590264 442214001 /nfs/dbraw/zinc/21/40/01/442214001.db2.gz BFRLPJJZVSXSBF-ZBFHGGJFSA-N 1 2 334.416 1.670 20 30 EDEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(NC(=O)c2ccoc2)CC1)C1CC1 ZINC000166347394 442215875 /nfs/dbraw/zinc/21/58/75/442215875.db2.gz SVNDINLJZDLNDN-GOSISDBHSA-N 1 2 344.415 1.282 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000128624848 442278798 /nfs/dbraw/zinc/27/87/98/442278798.db2.gz LIDJVPQMLCMQGZ-CQSZACIVSA-N 1 2 330.428 1.980 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000128624848 442278800 /nfs/dbraw/zinc/27/88/00/442278800.db2.gz LIDJVPQMLCMQGZ-CQSZACIVSA-N 1 2 330.428 1.980 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C2OCCO2)CC1 ZINC000177037556 442289037 /nfs/dbraw/zinc/28/90/37/442289037.db2.gz YCJRUQNKKOXSGJ-MRXNPFEDSA-N 1 2 330.384 1.857 20 30 EDEDLO CC[C@H](C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000171005181 442297937 /nfs/dbraw/zinc/29/79/37/442297937.db2.gz WRKNAQDFRIBDOF-CQSZACIVSA-N 1 2 325.372 1.944 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000130605053 442350767 /nfs/dbraw/zinc/35/07/67/442350767.db2.gz HQVSRIFNIYBHEP-HNNXBMFYSA-N 1 2 334.464 1.662 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000130605053 442350770 /nfs/dbraw/zinc/35/07/70/442350770.db2.gz HQVSRIFNIYBHEP-HNNXBMFYSA-N 1 2 334.464 1.662 20 30 EDEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+](CCO)CCO)c1C#N ZINC000154928062 442365133 /nfs/dbraw/zinc/36/51/33/442365133.db2.gz GVIBSFKNXLUXOC-UHFFFAOYSA-N 1 2 348.447 1.317 20 30 EDEDLO Cc1nc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)sc1C ZINC000172118300 442410959 /nfs/dbraw/zinc/41/09/59/442410959.db2.gz FVIJWSHGXUAYDC-UHFFFAOYSA-N 1 2 337.449 1.840 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1C#N ZINC000155665471 442417498 /nfs/dbraw/zinc/41/74/98/442417498.db2.gz MZFCINNDMZPZFU-LBPRGKRZSA-N 1 2 348.472 1.676 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1C#N ZINC000155665471 442417502 /nfs/dbraw/zinc/41/75/02/442417502.db2.gz MZFCINNDMZPZFU-LBPRGKRZSA-N 1 2 348.472 1.676 20 30 EDEDLO CS(=O)(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000179784701 442502571 /nfs/dbraw/zinc/50/25/71/442502571.db2.gz KCRSVRKAHZAPEC-UHFFFAOYSA-N 1 2 337.445 1.446 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@H+](CC#N)C2CCCC2)cc1 ZINC000156736568 442515138 /nfs/dbraw/zinc/51/51/38/442515138.db2.gz VAAZABVTFGAFOV-MRXNPFEDSA-N 1 2 332.400 1.981 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](CC#N)C2CCCC2)cc1 ZINC000156736568 442515141 /nfs/dbraw/zinc/51/51/41/442515141.db2.gz VAAZABVTFGAFOV-MRXNPFEDSA-N 1 2 332.400 1.981 20 30 EDEDLO COc1cc(C#N)cc(Cl)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000179054284 442560746 /nfs/dbraw/zinc/56/07/46/442560746.db2.gz GAZQKONOSUWZCB-GFCCVEGCSA-N 1 2 326.780 1.292 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc2nccn21 ZINC000180711965 442651659 /nfs/dbraw/zinc/65/16/59/442651659.db2.gz URTJEUBVCOOMMP-AWEZNQCLSA-N 1 2 333.399 1.707 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc2nccn21 ZINC000180711965 442651661 /nfs/dbraw/zinc/65/16/61/442651661.db2.gz URTJEUBVCOOMMP-AWEZNQCLSA-N 1 2 333.399 1.707 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cccc2[nH+]ccn21 ZINC000180711965 442651665 /nfs/dbraw/zinc/65/16/65/442651665.db2.gz URTJEUBVCOOMMP-AWEZNQCLSA-N 1 2 333.399 1.707 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCn3cccc3[C@@H]2C)CC1 ZINC000180494503 442611140 /nfs/dbraw/zinc/61/11/40/442611140.db2.gz WNAUHCAKFWFZMJ-WMZOPIPTSA-N 1 2 343.475 1.557 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCn3cccc3[C@@H]2C)CC1 ZINC000180494503 442611145 /nfs/dbraw/zinc/61/11/45/442611145.db2.gz WNAUHCAKFWFZMJ-WMZOPIPTSA-N 1 2 343.475 1.557 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000192222257 442616819 /nfs/dbraw/zinc/61/68/19/442616819.db2.gz PNGBAMCIAVUNDL-UHFFFAOYSA-N 1 2 339.395 1.737 20 30 EDEDLO C#CC[N@H+](C)CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000192222257 442616824 /nfs/dbraw/zinc/61/68/24/442616824.db2.gz PNGBAMCIAVUNDL-UHFFFAOYSA-N 1 2 339.395 1.737 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)NCCc1ccc(OC(F)F)c(OC)c1 ZINC000192232454 442619403 /nfs/dbraw/zinc/61/94/03/442619403.db2.gz SAZTYVVEJOTIBX-UHFFFAOYSA-N 1 2 326.343 1.520 20 30 EDEDLO C#CC[N@H+](C)CC(=O)NCCc1ccc(OC(F)F)c(OC)c1 ZINC000192232454 442619410 /nfs/dbraw/zinc/61/94/10/442619410.db2.gz SAZTYVVEJOTIBX-UHFFFAOYSA-N 1 2 326.343 1.520 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC000157884958 442624471 /nfs/dbraw/zinc/62/44/71/442624471.db2.gz JJMQSQKBGIEJII-ZACQAIPSSA-N 1 2 329.400 1.765 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC000157884958 442624477 /nfs/dbraw/zinc/62/44/77/442624477.db2.gz JJMQSQKBGIEJII-ZACQAIPSSA-N 1 2 329.400 1.765 20 30 EDEDLO C[NH+](C)CCN1CCC(CNC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188513763 442759044 /nfs/dbraw/zinc/75/90/44/442759044.db2.gz TVNRKHRYSSTNQV-UHFFFAOYSA-N 1 2 330.432 1.267 20 30 EDEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cn3cnc(C#N)n3)n2)C1 ZINC000193720370 442773048 /nfs/dbraw/zinc/77/30/48/442773048.db2.gz VQJZYJGPEROJCG-LLVKDONJSA-N 1 2 345.432 1.477 20 30 EDEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cn3cnc(C#N)n3)n2)C1 ZINC000193720370 442773053 /nfs/dbraw/zinc/77/30/53/442773053.db2.gz VQJZYJGPEROJCG-LLVKDONJSA-N 1 2 345.432 1.477 20 30 EDEDLO N#Cc1csc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000267871641 442773636 /nfs/dbraw/zinc/77/36/36/442773636.db2.gz ZZZRRFJFEUWIBU-UHFFFAOYSA-N 1 2 331.401 1.401 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)oc1C ZINC000193773488 442784229 /nfs/dbraw/zinc/78/42/29/442784229.db2.gz ICPUTXKIEKGSGY-UHFFFAOYSA-N 1 2 340.383 1.964 20 30 EDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1C#N ZINC000268133016 442863110 /nfs/dbraw/zinc/86/31/10/442863110.db2.gz AZYZEYGBKGWBEI-CQSZACIVSA-N 1 2 343.349 1.706 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCO[C@@]4(CCOC4)C3)C2=O)cc1 ZINC000248969937 442942040 /nfs/dbraw/zinc/94/20/40/442942040.db2.gz GIRNELYNRFLWDL-AEFFLSMTSA-N 1 2 327.384 1.155 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCO[C@@]4(CCOC4)C3)C2=O)cc1 ZINC000248969937 442942042 /nfs/dbraw/zinc/94/20/42/442942042.db2.gz GIRNELYNRFLWDL-AEFFLSMTSA-N 1 2 327.384 1.155 20 30 EDEDLO Cc1nn(C)c2ncc(C[NH+]3CCN(c4ncccc4C#N)CC3)cc12 ZINC000195429795 443018149 /nfs/dbraw/zinc/01/81/49/443018149.db2.gz IZSYNHXXDLANBA-UHFFFAOYSA-N 1 2 347.426 1.866 20 30 EDEDLO N#Cc1ccnc(NCc2ccc[nH+]c2N2CCOCC2)c1[N+](=O)[O-] ZINC000268521874 443019863 /nfs/dbraw/zinc/01/98/63/443019863.db2.gz VFELZSCFUWWVCP-UHFFFAOYSA-N 1 2 340.343 1.705 20 30 EDEDLO COC(=O)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCCC1 ZINC000268535332 443024870 /nfs/dbraw/zinc/02/48/70/443024870.db2.gz JCQUKLKBLXXQGV-UHFFFAOYSA-N 1 2 329.400 1.592 20 30 EDEDLO COC(=O)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCCC1 ZINC000268535332 443024873 /nfs/dbraw/zinc/02/48/73/443024873.db2.gz JCQUKLKBLXXQGV-UHFFFAOYSA-N 1 2 329.400 1.592 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184201746 443001787 /nfs/dbraw/zinc/00/17/87/443001787.db2.gz LDJCAYOEUSXUSD-KGLIPLIRSA-N 1 2 337.420 1.983 20 30 EDEDLO COc1coc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1=O ZINC000268608138 443050431 /nfs/dbraw/zinc/05/04/31/443050431.db2.gz YYSZFGYIEGQRJQ-UHFFFAOYSA-N 1 2 325.368 1.842 20 30 EDEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000268644608 443063241 /nfs/dbraw/zinc/06/32/41/443063241.db2.gz UEVSUIJEIUXTHC-CRAIPNDOSA-N 1 2 344.459 1.124 20 30 EDEDLO CCN1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1=O ZINC000190178846 443066511 /nfs/dbraw/zinc/06/65/11/443066511.db2.gz CSAWTLWLNREJBX-WUJZJPHMSA-N 1 2 348.491 1.860 20 30 EDEDLO CCN1CCC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1=O ZINC000190178846 443066517 /nfs/dbraw/zinc/06/65/17/443066517.db2.gz CSAWTLWLNREJBX-WUJZJPHMSA-N 1 2 348.491 1.860 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCN1Cc1ccccc1 ZINC000610989470 450399337 /nfs/dbraw/zinc/39/93/37/450399337.db2.gz JIURJGGMNLOLKN-PKOBYXMFSA-N 1 2 349.438 1.682 20 30 EDEDLO C#CC[NH+]1CCN(CN2C[C@H](c3cccc(OC)c3)CC2=O)CC1 ZINC000185643639 443232364 /nfs/dbraw/zinc/23/23/64/443232364.db2.gz AHRRSDUBFKUXDW-QGZVFWFLSA-N 1 2 327.428 1.219 20 30 EDEDLO C=CCN(Cc1[nH+]ccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000190861363 443198184 /nfs/dbraw/zinc/19/81/84/443198184.db2.gz WVMGPCLYSYHTAU-GFCCVEGCSA-N 1 2 326.418 1.274 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191182378 443254888 /nfs/dbraw/zinc/25/48/88/443254888.db2.gz GFNZSDNUCAKARO-UKRRQHHQSA-N 1 2 335.477 1.518 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191182378 443254890 /nfs/dbraw/zinc/25/48/90/443254890.db2.gz GFNZSDNUCAKARO-UKRRQHHQSA-N 1 2 335.477 1.518 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@@H](C#N)C1)c1ccccc1F ZINC000264398749 443277638 /nfs/dbraw/zinc/27/76/38/443277638.db2.gz OLMMYCSKDRPYPL-SWLSCSKDSA-N 1 2 343.362 1.583 20 30 EDEDLO N#C[C@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCO1 ZINC000264413297 443283177 /nfs/dbraw/zinc/28/31/77/443283177.db2.gz ULRWSKWRVOVDST-ZDUSSCGKSA-N 1 2 335.433 1.885 20 30 EDEDLO CCc1nc(CN2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)no1 ZINC000282383688 443322315 /nfs/dbraw/zinc/32/23/15/443322315.db2.gz QUHGYSGAWLKAOU-UHFFFAOYSA-N 1 2 341.415 1.830 20 30 EDEDLO COc1cc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1C#N ZINC000282411940 443331119 /nfs/dbraw/zinc/33/11/19/443331119.db2.gz SGLAPNLFSKAIST-UHFFFAOYSA-N 1 2 342.443 1.307 20 30 EDEDLO N#Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000264609143 443345696 /nfs/dbraw/zinc/34/56/96/443345696.db2.gz FAYFLUIDMZYSTJ-UHFFFAOYSA-N 1 2 348.834 1.192 20 30 EDEDLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000270674453 443479208 /nfs/dbraw/zinc/47/92/08/443479208.db2.gz BADFPOMXGIMDMR-ZDUSSCGKSA-N 1 2 332.404 1.008 20 30 EDEDLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000270674453 443479211 /nfs/dbraw/zinc/47/92/11/443479211.db2.gz BADFPOMXGIMDMR-ZDUSSCGKSA-N 1 2 332.404 1.008 20 30 EDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1c(C#N)cnc2ccccc21 ZINC000267506499 443479606 /nfs/dbraw/zinc/47/96/06/443479606.db2.gz AKIZMKZXUDUNCK-OAHLLOKOSA-N 1 2 326.400 1.236 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC(=C)C)CC1 ZINC000282978726 443485511 /nfs/dbraw/zinc/48/55/11/443485511.db2.gz PJGBIUYTXDHFLR-UHFFFAOYSA-N 1 2 336.443 1.980 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)cn1 ZINC000267431269 443454801 /nfs/dbraw/zinc/45/48/01/443454801.db2.gz WQELLHNSDMCMGB-UHFFFAOYSA-N 1 2 335.411 1.392 20 30 EDEDLO N#C[C@@H]1CSCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000271693796 443509808 /nfs/dbraw/zinc/50/98/08/443509808.db2.gz FTVJECIHXSHSTR-HZPDHXFCSA-N 1 2 331.441 1.355 20 30 EDEDLO N#C[C@@H]1CSCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000271693796 443509812 /nfs/dbraw/zinc/50/98/12/443509812.db2.gz FTVJECIHXSHSTR-HZPDHXFCSA-N 1 2 331.441 1.355 20 30 EDEDLO N#C[C@@H]1CSCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000271693787 443509927 /nfs/dbraw/zinc/50/99/27/443509927.db2.gz FTVJECIHXSHSTR-CVEARBPZSA-N 1 2 331.441 1.355 20 30 EDEDLO N#C[C@@H]1CSCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000271693787 443509931 /nfs/dbraw/zinc/50/99/31/443509931.db2.gz FTVJECIHXSHSTR-CVEARBPZSA-N 1 2 331.441 1.355 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccnn1-c1ccccc1 ZINC000279753002 443626391 /nfs/dbraw/zinc/62/63/91/443626391.db2.gz CPORNYADNUCZEI-UHFFFAOYSA-N 1 2 339.443 1.920 20 30 EDEDLO COc1ccc(F)cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000286032354 443630103 /nfs/dbraw/zinc/63/01/03/443630103.db2.gz PZLUJAMMNCJONQ-UHFFFAOYSA-N 1 2 335.379 1.522 20 30 EDEDLO C#CCSCCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275670712 443636211 /nfs/dbraw/zinc/63/62/11/443636211.db2.gz LQGAWKUNNOTIGZ-CQSZACIVSA-N 1 2 333.461 1.059 20 30 EDEDLO C#CCSCCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275670712 443636214 /nfs/dbraw/zinc/63/62/14/443636214.db2.gz LQGAWKUNNOTIGZ-CQSZACIVSA-N 1 2 333.461 1.059 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(C(F)F)n1 ZINC000274458487 443605778 /nfs/dbraw/zinc/60/57/78/443605778.db2.gz GWMAGWBHGOKOMT-UHFFFAOYSA-N 1 2 332.358 1.947 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000274677793 443609647 /nfs/dbraw/zinc/60/96/47/443609647.db2.gz JESYHESIOJPTBZ-UHFFFAOYSA-N 1 2 344.440 1.843 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)NCc2cn3c([nH+]2)CCCC3)n1 ZINC000279597194 443609873 /nfs/dbraw/zinc/60/98/73/443609873.db2.gz VUNXZGOFLGFGHA-UHFFFAOYSA-N 1 2 340.431 1.781 20 30 EDEDLO CC#CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000286248759 443676449 /nfs/dbraw/zinc/67/64/49/443676449.db2.gz NBLPXHAHOGXMSI-CYBMUJFWSA-N 1 2 332.404 1.564 20 30 EDEDLO CCN(CCC[NH+]1CCCC1)C(=O)CCNC(O)=C1N=CC=CC1=O ZINC000276407336 443697914 /nfs/dbraw/zinc/69/79/14/443697914.db2.gz HLASRTKIMBLZCH-ZCXUNETKSA-N 1 2 348.447 1.237 20 30 EDEDLO C#CCN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000283723293 443698508 /nfs/dbraw/zinc/69/85/08/443698508.db2.gz XRVOHWFBEZZHCP-UHFFFAOYSA-N 1 2 336.395 1.917 20 30 EDEDLO COCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccn1 ZINC000287508599 443745896 /nfs/dbraw/zinc/74/58/96/443745896.db2.gz UKKKHUICTHRLSM-UHFFFAOYSA-N 1 2 338.411 1.718 20 30 EDEDLO COCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccn1 ZINC000287508599 443745899 /nfs/dbraw/zinc/74/58/99/443745899.db2.gz UKKKHUICTHRLSM-UHFFFAOYSA-N 1 2 338.411 1.718 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000290922735 443712147 /nfs/dbraw/zinc/71/21/47/443712147.db2.gz KVBHVVDQSAUCCG-UHFFFAOYSA-N 1 2 346.412 1.003 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000286874581 443728532 /nfs/dbraw/zinc/72/85/32/443728532.db2.gz YYAIWRDBYXIZDM-INIZCTEOSA-N 1 2 332.448 1.296 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000286874581 443728534 /nfs/dbraw/zinc/72/85/34/443728534.db2.gz YYAIWRDBYXIZDM-INIZCTEOSA-N 1 2 332.448 1.296 20 30 EDEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000287046680 443733840 /nfs/dbraw/zinc/73/38/40/443733840.db2.gz UBBJBVVCCHCNCI-OAHLLOKOSA-N 1 2 330.388 1.707 20 30 EDEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000287046680 443733842 /nfs/dbraw/zinc/73/38/42/443733842.db2.gz UBBJBVVCCHCNCI-OAHLLOKOSA-N 1 2 330.388 1.707 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000280653091 443739315 /nfs/dbraw/zinc/73/93/15/443739315.db2.gz ZHCJHOFLMUWTAH-QFBILLFUSA-N 1 2 343.427 1.813 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000280653091 443739320 /nfs/dbraw/zinc/73/93/20/443739320.db2.gz ZHCJHOFLMUWTAH-QFBILLFUSA-N 1 2 343.427 1.813 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccoc2C(C)C)CC1 ZINC000280663662 443739741 /nfs/dbraw/zinc/73/97/41/443739741.db2.gz GWRKQIWZRNPJSJ-UHFFFAOYSA-N 1 2 331.416 1.300 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccoc2C(C)C)CC1 ZINC000280663662 443739743 /nfs/dbraw/zinc/73/97/43/443739743.db2.gz GWRKQIWZRNPJSJ-UHFFFAOYSA-N 1 2 331.416 1.300 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284819911 443790402 /nfs/dbraw/zinc/79/04/02/443790402.db2.gz PSBOVHKSMNTHNV-BBWFWOEESA-N 1 2 329.400 1.177 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284819911 443790404 /nfs/dbraw/zinc/79/04/04/443790404.db2.gz PSBOVHKSMNTHNV-BBWFWOEESA-N 1 2 329.400 1.177 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000288008363 443764068 /nfs/dbraw/zinc/76/40/68/443764068.db2.gz BUEDYZCIDCOJAG-GOSISDBHSA-N 1 2 329.444 1.595 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)C[C@@H]21 ZINC000284190149 443768584 /nfs/dbraw/zinc/76/85/84/443768584.db2.gz SPHTVAOBMQNTPG-BNESGYTRSA-N 1 2 341.411 1.534 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)C[C@@H]21 ZINC000284190149 443768589 /nfs/dbraw/zinc/76/85/89/443768589.db2.gz SPHTVAOBMQNTPG-BNESGYTRSA-N 1 2 341.411 1.534 20 30 EDEDLO CON(C)C(=O)C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000291885721 443771202 /nfs/dbraw/zinc/77/12/02/443771202.db2.gz QLWAQWZMCHFYFQ-UHFFFAOYSA-N 1 2 330.388 1.229 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(-c3cnn(C)c3C)no2)C1=O ZINC000281171776 443837964 /nfs/dbraw/zinc/83/79/64/443837964.db2.gz AGVOKRMKFMHZRH-INIZCTEOSA-N 1 2 329.404 1.602 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(-c3cnn(C)c3C)no2)C1=O ZINC000281171776 443837970 /nfs/dbraw/zinc/83/79/70/443837970.db2.gz AGVOKRMKFMHZRH-INIZCTEOSA-N 1 2 329.404 1.602 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000298707189 443844916 /nfs/dbraw/zinc/84/49/16/443844916.db2.gz ACKYOQDKYZBWKG-BETUJISGSA-N 1 2 349.431 1.845 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CCN1C ZINC000276853339 443852554 /nfs/dbraw/zinc/85/25/54/443852554.db2.gz ZRMMNBFYKKZJFJ-AWEZNQCLSA-N 1 2 345.353 1.699 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)C1=O ZINC000281303597 443873881 /nfs/dbraw/zinc/87/38/81/443873881.db2.gz JZURYBRSDNWGAK-XJKSGUPXSA-N 1 2 326.400 1.604 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)C1=O ZINC000281303597 443873887 /nfs/dbraw/zinc/87/38/87/443873887.db2.gz JZURYBRSDNWGAK-XJKSGUPXSA-N 1 2 326.400 1.604 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(C)Cc2cccc(F)c2)C1=O ZINC000281401461 443901328 /nfs/dbraw/zinc/90/13/28/443901328.db2.gz QNJVKBYJZNMXFN-RHSMWYFYSA-N 1 2 347.434 1.891 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(C)Cc2cccc(F)c2)C1=O ZINC000281401461 443901333 /nfs/dbraw/zinc/90/13/33/443901333.db2.gz QNJVKBYJZNMXFN-RHSMWYFYSA-N 1 2 347.434 1.891 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)C1=O ZINC000281527742 443936367 /nfs/dbraw/zinc/93/63/67/443936367.db2.gz ZUJYAWFYZVRPNL-OAHLLOKOSA-N 1 2 328.368 1.717 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)C1=O ZINC000281527742 443936368 /nfs/dbraw/zinc/93/63/68/443936368.db2.gz ZUJYAWFYZVRPNL-OAHLLOKOSA-N 1 2 328.368 1.717 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCO[C@]2(CCCOC2)C1)c1ccccc1 ZINC000285382882 443963359 /nfs/dbraw/zinc/96/33/59/443963359.db2.gz RTOZLGMHAYMVRR-LJQANCHMSA-N 1 2 343.427 1.815 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCO[C@]2(CCCOC2)C1)c1ccccc1 ZINC000285382882 443963362 /nfs/dbraw/zinc/96/33/62/443963362.db2.gz RTOZLGMHAYMVRR-LJQANCHMSA-N 1 2 343.427 1.815 20 30 EDEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000299253764 443997136 /nfs/dbraw/zinc/99/71/36/443997136.db2.gz ZEGVZKOTIOWMSO-UHFFFAOYSA-N 1 2 340.427 1.636 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2[nH]c1=S ZINC000285608283 444046460 /nfs/dbraw/zinc/04/64/60/444046460.db2.gz CDQVGJSPQSSALZ-NSHDSACASA-N 1 2 344.440 1.305 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000281796406 444008682 /nfs/dbraw/zinc/00/86/82/444008682.db2.gz NMLUCFQMVDJTCB-CZUORRHYSA-N 1 2 342.399 1.679 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)c1C ZINC000285529205 444017151 /nfs/dbraw/zinc/01/71/51/444017151.db2.gz KVUBMFMLAGSXDH-IAGOWNOFSA-N 1 2 331.416 1.242 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)c1C ZINC000285529205 444017156 /nfs/dbraw/zinc/01/71/56/444017156.db2.gz KVUBMFMLAGSXDH-IAGOWNOFSA-N 1 2 331.416 1.242 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281865149 444025978 /nfs/dbraw/zinc/02/59/78/444025978.db2.gz OKNNLZYZSFYJDU-BQFCYCMXSA-N 1 2 333.407 1.988 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281865149 444025981 /nfs/dbraw/zinc/02/59/81/444025981.db2.gz OKNNLZYZSFYJDU-BQFCYCMXSA-N 1 2 333.407 1.988 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000285557517 444027717 /nfs/dbraw/zinc/02/77/17/444027717.db2.gz RBFVQWNMJBULFM-SUYBPPKGSA-N 1 2 343.431 1.480 20 30 EDEDLO C=CCN1CC[C@H](N(C)c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1=O ZINC000282005372 444060624 /nfs/dbraw/zinc/06/06/24/444060624.db2.gz WSBHZEQMQDADHH-GJZGRUSLSA-N 1 2 345.447 1.051 20 30 EDEDLO C=CCN1CC[C@H](N(C)c2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1=O ZINC000282005372 444060628 /nfs/dbraw/zinc/06/06/28/444060628.db2.gz WSBHZEQMQDADHH-GJZGRUSLSA-N 1 2 345.447 1.051 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000561009410 321030975 /nfs/dbraw/zinc/03/09/75/321030975.db2.gz DYJDGUVDAYFBHJ-UHFFFAOYSA-N 1 2 349.350 1.340 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)Cc3ccc(C)cc3)CC2)C1=O ZINC000282099084 444086099 /nfs/dbraw/zinc/08/60/99/444086099.db2.gz VWGAOYYJCXDGIE-SFHVURJKSA-N 1 2 341.455 1.469 20 30 EDEDLO Cc1nsc(N2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)n1 ZINC000564988917 321163177 /nfs/dbraw/zinc/16/31/77/321163177.db2.gz GCJCOJVUNKYENE-UHFFFAOYSA-N 1 2 340.416 1.083 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000278104649 444097549 /nfs/dbraw/zinc/09/75/49/444097549.db2.gz KOXDQZZTMSCWRU-UHFFFAOYSA-N 1 2 329.791 1.757 20 30 EDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cccc(C(F)F)c1C#N ZINC000569056721 321316075 /nfs/dbraw/zinc/31/60/75/321316075.db2.gz OIPZJEOAJVEGOV-LBPRGKRZSA-N 1 2 325.359 1.625 20 30 EDEDLO C#CCO[C@H](C)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000294398906 444115687 /nfs/dbraw/zinc/11/56/87/444115687.db2.gz LYZBHBPFSHYNQQ-OAHLLOKOSA-N 1 2 326.400 1.017 20 30 EDEDLO Cc1noc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000285860851 444132825 /nfs/dbraw/zinc/13/28/25/444132825.db2.gz YKIKZLSUFQACLP-ZBFHGGJFSA-N 1 2 328.372 1.827 20 30 EDEDLO Cc1noc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000285860851 444132827 /nfs/dbraw/zinc/13/28/27/444132827.db2.gz YKIKZLSUFQACLP-ZBFHGGJFSA-N 1 2 328.372 1.827 20 30 EDEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@@H]1CCNC1=O ZINC000282344687 444152587 /nfs/dbraw/zinc/15/25/87/444152587.db2.gz MIKOCXYRNYZUGV-QGZVFWFLSA-N 1 2 342.443 1.761 20 30 EDEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@@H]1CCNC1=O ZINC000282344687 444152591 /nfs/dbraw/zinc/15/25/91/444152591.db2.gz MIKOCXYRNYZUGV-QGZVFWFLSA-N 1 2 342.443 1.761 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000285938953 444158554 /nfs/dbraw/zinc/15/85/54/444158554.db2.gz URHNMYJNMPREGC-NVXWUHKLSA-N 1 2 343.427 1.453 20 30 EDEDLO Cc1nsc(N2CCN(C(=O)NCc3[nH+]ccn3C)CC2)c1C#N ZINC000290630539 444303595 /nfs/dbraw/zinc/30/35/95/444303595.db2.gz CWDNEBSYSOAQKS-UHFFFAOYSA-N 1 2 345.432 1.089 20 30 EDEDLO C#CCOc1ccc(C[N@@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000290425252 444279124 /nfs/dbraw/zinc/27/91/24/444279124.db2.gz LAKXYGAQQUBUNT-MRXNPFEDSA-N 1 2 337.441 1.334 20 30 EDEDLO C#CCOc1ccc(C[N@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000290425252 444279126 /nfs/dbraw/zinc/27/91/26/444279126.db2.gz LAKXYGAQQUBUNT-MRXNPFEDSA-N 1 2 337.441 1.334 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1ccc(C#N)nc1 ZINC000290509679 444289355 /nfs/dbraw/zinc/28/93/55/444289355.db2.gz APAOZCSGZAJWKK-YOEHRIQHSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1ccc(C#N)nc1 ZINC000290509679 444289358 /nfs/dbraw/zinc/28/93/58/444289358.db2.gz APAOZCSGZAJWKK-YOEHRIQHSA-N 1 2 328.395 1.736 20 30 EDEDLO [O-]C(NCCc1cn2c([nH+]1)CCCC2)=[NH+][C@H]1c2ccccc2C[C@H]1O ZINC000328766943 444345622 /nfs/dbraw/zinc/34/56/22/444345622.db2.gz PQIBAWMARGEMPR-AEFFLSMTSA-N 1 2 340.427 1.924 20 30 EDEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1c2ccccc2C[C@H]1O ZINC000328766943 444345624 /nfs/dbraw/zinc/34/56/24/444345624.db2.gz PQIBAWMARGEMPR-AEFFLSMTSA-N 1 2 340.427 1.924 20 30 EDEDLO CCC(=O)N1CSC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000328927044 444406210 /nfs/dbraw/zinc/40/62/10/444406210.db2.gz WVIOWHJWCBKDMU-LBPRGKRZSA-N 1 2 329.466 1.365 20 30 EDEDLO CCC1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CCOCC1 ZINC000328866126 444380154 /nfs/dbraw/zinc/38/01/54/444380154.db2.gz GNVCJDFVGJAMNV-GJZGRUSLSA-N 1 2 325.453 1.512 20 30 EDEDLO CCC1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCOCC1 ZINC000328866126 444380158 /nfs/dbraw/zinc/38/01/58/444380158.db2.gz GNVCJDFVGJAMNV-GJZGRUSLSA-N 1 2 325.453 1.512 20 30 EDEDLO CC[C@H](CC#N)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000331082935 444387279 /nfs/dbraw/zinc/38/72/79/444387279.db2.gz ZXELMJKEYKEOQC-CYBMUJFWSA-N 1 2 344.419 1.487 20 30 EDEDLO N#CCCCCNC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000340455151 444388414 /nfs/dbraw/zinc/38/84/14/444388414.db2.gz USOYIAGDAQGKPZ-UHFFFAOYSA-N 1 2 339.399 1.358 20 30 EDEDLO O=C(CCNC(=O)C1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000328900100 444393838 /nfs/dbraw/zinc/39/38/38/444393838.db2.gz ZITJYVBGATUTOA-UHFFFAOYSA-N 1 2 346.431 1.503 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000337768804 444396406 /nfs/dbraw/zinc/39/64/06/444396406.db2.gz NPVVPIAILNUGEZ-GFCCVEGCSA-N 1 2 333.417 1.645 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000329018713 444447130 /nfs/dbraw/zinc/44/71/30/444447130.db2.gz RRKWRDOKEWNMEF-NSHDSACASA-N 1 2 327.379 1.903 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cnc(N(C)C)nc2)CC1 ZINC000329022338 444448273 /nfs/dbraw/zinc/44/82/73/444448273.db2.gz TZSUNVGMAQNFJS-ZDUSSCGKSA-N 1 2 332.452 1.168 20 30 EDEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(S(=O)(=O)CCC#N)CC1 ZINC000331347864 444467106 /nfs/dbraw/zinc/46/71/06/444467106.db2.gz WVWOBPYXZLBJPW-ZDUSSCGKSA-N 1 2 325.409 1.748 20 30 EDEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)CCC#N)CC2)s1 ZINC000331345284 444467587 /nfs/dbraw/zinc/46/75/87/444467587.db2.gz VGSCIBKFDNABQI-UHFFFAOYSA-N 1 2 327.475 1.672 20 30 EDEDLO C[N@@H+]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)[C@H](c2ccccc2)C1 ZINC000331402595 444470480 /nfs/dbraw/zinc/47/04/80/444470480.db2.gz NXLIWESHDIXMKY-KRWDZBQOSA-N 1 2 340.427 1.264 20 30 EDEDLO C[N@H+]1CCN(C(=O)C(=O)N2CCC(C#N)CC2)[C@H](c2ccccc2)C1 ZINC000331402595 444470483 /nfs/dbraw/zinc/47/04/83/444470483.db2.gz NXLIWESHDIXMKY-KRWDZBQOSA-N 1 2 340.427 1.264 20 30 EDEDLO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000328724716 444441561 /nfs/dbraw/zinc/44/15/61/444441561.db2.gz SXFGLGGDDYBLHI-CQSZACIVSA-N 1 2 348.451 1.056 20 30 EDEDLO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000328724716 444441564 /nfs/dbraw/zinc/44/15/64/444441564.db2.gz SXFGLGGDDYBLHI-CQSZACIVSA-N 1 2 348.451 1.056 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCOC[C@H]1C1CC1)C1CCOCC1 ZINC000329267042 444517077 /nfs/dbraw/zinc/51/70/77/444517077.db2.gz DAXQPXYMLAQRIF-JKSUJKDBSA-N 1 2 348.447 1.913 20 30 EDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCO[C@]2(CCCOC2)C1 ZINC000329273453 444517918 /nfs/dbraw/zinc/51/79/18/444517918.db2.gz JXNZFARIGIBZFP-WMLDXEAASA-N 1 2 334.420 1.556 20 30 EDEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1CCOCC2(CC2)C1 ZINC000329296206 444524670 /nfs/dbraw/zinc/52/46/70/444524670.db2.gz KKAAPLGXCGXSON-UHFFFAOYSA-N 1 2 346.431 1.445 20 30 EDEDLO CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329429549 444575730 /nfs/dbraw/zinc/57/57/30/444575730.db2.gz JUGUZYBZSYNNNO-ZBFHGGJFSA-N 1 2 337.464 1.987 20 30 EDEDLO CCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329429549 444575733 /nfs/dbraw/zinc/57/57/33/444575733.db2.gz JUGUZYBZSYNNNO-ZBFHGGJFSA-N 1 2 337.464 1.987 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342257371 444592857 /nfs/dbraw/zinc/59/28/57/444592857.db2.gz XQBAKMSBCSYDOX-GJZGRUSLSA-N 1 2 331.416 1.582 20 30 EDEDLO Cc1cc2cc(CNC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)ccc2[nH]1 ZINC000329611208 444648349 /nfs/dbraw/zinc/64/83/49/444648349.db2.gz DHLNGKUTEFCZOH-DLBZAZTESA-N 1 2 328.416 1.905 20 30 EDEDLO Cc1cc2cc(CNC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)ccc2[nH]1 ZINC000329611208 444648353 /nfs/dbraw/zinc/64/83/53/444648353.db2.gz DHLNGKUTEFCZOH-DLBZAZTESA-N 1 2 328.416 1.905 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3noc4c3CCCC4)C[C@@H]21 ZINC000329692927 444682153 /nfs/dbraw/zinc/68/21/53/444682153.db2.gz CHYOWFXFEDCMTJ-GOEBONIOSA-N 1 2 334.420 1.372 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3noc4c3CCCC4)C[C@@H]21 ZINC000329692927 444682155 /nfs/dbraw/zinc/68/21/55/444682155.db2.gz CHYOWFXFEDCMTJ-GOEBONIOSA-N 1 2 334.420 1.372 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000342372357 444662281 /nfs/dbraw/zinc/66/22/81/444662281.db2.gz MQUBPUCBQWRRNT-AEFFLSMTSA-N 1 2 327.384 1.374 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000342372357 444662284 /nfs/dbraw/zinc/66/22/84/444662284.db2.gz MQUBPUCBQWRRNT-AEFFLSMTSA-N 1 2 327.384 1.374 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCN(Cc2cscn2)CC1 ZINC000329648753 444664468 /nfs/dbraw/zinc/66/44/68/444664468.db2.gz FDDPKVCCNIGKGI-LBPRGKRZSA-N 1 2 346.460 1.455 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCN(Cc2cscn2)CC1 ZINC000329648753 444664472 /nfs/dbraw/zinc/66/44/72/444664472.db2.gz FDDPKVCCNIGKGI-LBPRGKRZSA-N 1 2 346.460 1.455 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4c(n3)CCCC4)C[C@@H]21 ZINC000329665997 444672259 /nfs/dbraw/zinc/67/22/59/444672259.db2.gz QDJGHXBPMPZJEI-DLBZAZTESA-N 1 2 330.432 1.389 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4c(n3)CCCC4)C[C@@H]21 ZINC000329665997 444672264 /nfs/dbraw/zinc/67/22/64/444672264.db2.gz QDJGHXBPMPZJEI-DLBZAZTESA-N 1 2 330.432 1.389 20 30 EDEDLO N#Cc1ccncc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000341101294 444674997 /nfs/dbraw/zinc/67/49/97/444674997.db2.gz BOPFMBYXVURWIP-UHFFFAOYSA-N 1 2 336.395 1.715 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329685455 444678689 /nfs/dbraw/zinc/67/86/89/444678689.db2.gz ZYUBKQAPIYLORY-CYBMUJFWSA-N 1 2 340.449 1.470 20 30 EDEDLO Cn1cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c(-c2ccccc2)n1 ZINC000329589485 444640105 /nfs/dbraw/zinc/64/01/05/444640105.db2.gz ZJBHGDSHXWJRHR-HZPDHXFCSA-N 1 2 341.415 1.647 20 30 EDEDLO Cn1cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(-c2ccccc2)n1 ZINC000329589485 444640107 /nfs/dbraw/zinc/64/01/07/444640107.db2.gz ZJBHGDSHXWJRHR-HZPDHXFCSA-N 1 2 341.415 1.647 20 30 EDEDLO CC(C)(CNc1cc(C#N)c2ccccc2n1)[NH+]1CCS(=O)CC1 ZINC000333726315 444692767 /nfs/dbraw/zinc/69/27/67/444692767.db2.gz OURQIGWFODZGPO-UHFFFAOYSA-N 1 2 342.468 2.361 20 30 EDEDLO COc1ccc2c(c1)[C@@H](NC(=O)N1C[C@H]3OCC[N@H+](C)[C@H]3C1)CCO2 ZINC000329739288 444698361 /nfs/dbraw/zinc/69/83/61/444698361.db2.gz UTVJLFGPDMLHJF-YQQAZPJKSA-N 1 2 347.415 1.448 20 30 EDEDLO COc1ccc2c(c1)[C@@H](NC(=O)N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)CCO2 ZINC000329739288 444698364 /nfs/dbraw/zinc/69/83/64/444698364.db2.gz UTVJLFGPDMLHJF-YQQAZPJKSA-N 1 2 347.415 1.448 20 30 EDEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329848669 444739248 /nfs/dbraw/zinc/73/92/48/444739248.db2.gz PQJYPTCTFDBNTM-KBPBESRZSA-N 1 2 340.449 1.147 20 30 EDEDLO Cn1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c([C@H]2CCOC2)n1 ZINC000329871645 444747851 /nfs/dbraw/zinc/74/78/51/444747851.db2.gz COSAGHOXBBAMJO-ZDUSSCGKSA-N 1 2 336.436 1.339 20 30 EDEDLO COc1ccc(NC(=O)CN2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1Cl ZINC000329911254 444764769 /nfs/dbraw/zinc/76/47/69/444764769.db2.gz AKQFDOKUYMVGGY-UKRRQHHQSA-N 1 2 339.823 1.951 20 30 EDEDLO COc1ccc(NC(=O)CN2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1Cl ZINC000329911254 444764775 /nfs/dbraw/zinc/76/47/75/444764775.db2.gz AKQFDOKUYMVGGY-UKRRQHHQSA-N 1 2 339.823 1.951 20 30 EDEDLO COc1ccc(NC(=O)C[N@@H+]2C[C@H]3OCCN(C)[C@@H]3C2)cc1Cl ZINC000329911254 444764782 /nfs/dbraw/zinc/76/47/82/444764782.db2.gz AKQFDOKUYMVGGY-UKRRQHHQSA-N 1 2 339.823 1.951 20 30 EDEDLO COc1ccc(NC(=O)C[N@H+]2C[C@H]3OCCN(C)[C@@H]3C2)cc1Cl ZINC000329911254 444764786 /nfs/dbraw/zinc/76/47/86/444764786.db2.gz AKQFDOKUYMVGGY-UKRRQHHQSA-N 1 2 339.823 1.951 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccccc3OC(F)F)C[C@H]21 ZINC000329940199 444778339 /nfs/dbraw/zinc/77/83/39/444778339.db2.gz UHYUPUIBYPUXCN-YPMHNXCESA-N 1 2 327.331 1.848 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccccc3OC(F)F)C[C@H]21 ZINC000329940199 444778342 /nfs/dbraw/zinc/77/83/42/444778342.db2.gz UHYUPUIBYPUXCN-YPMHNXCESA-N 1 2 327.331 1.848 20 30 EDEDLO CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2[nH+]ccn2C)C12CCOCC2 ZINC000329943158 444779930 /nfs/dbraw/zinc/77/99/30/444779930.db2.gz WAGPDOPOSVIEKE-UONOGXRCSA-N 1 2 336.436 1.740 20 30 EDEDLO CCN1CCN(C(=O)NCc2cnc(C)s2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329947377 444781485 /nfs/dbraw/zinc/78/14/85/444781485.db2.gz GYUMEQSVUVOCOU-ZDUSSCGKSA-N 1 2 334.449 1.967 20 30 EDEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C12CCCC2 ZINC000329981482 444798235 /nfs/dbraw/zinc/79/82/35/444798235.db2.gz NIDJQNBSQZPILI-FXUDXRNXSA-N 1 2 337.464 1.653 20 30 EDEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C12CCCC2 ZINC000329981482 444798238 /nfs/dbraw/zinc/79/82/38/444798238.db2.gz NIDJQNBSQZPILI-FXUDXRNXSA-N 1 2 337.464 1.653 20 30 EDEDLO CCN1CCN(C(=O)N[C@H](C)C2CCOCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329987752 444800855 /nfs/dbraw/zinc/80/08/55/444800855.db2.gz GLUUJFKWQGYPJK-HIFRSBDPSA-N 1 2 335.452 1.817 20 30 EDEDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329966016 444790670 /nfs/dbraw/zinc/79/06/70/444790670.db2.gz VJESRDHDUICEFX-UGUYLWEFSA-N 1 2 325.453 1.366 20 30 EDEDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329966016 444790674 /nfs/dbraw/zinc/79/06/74/444790674.db2.gz VJESRDHDUICEFX-UGUYLWEFSA-N 1 2 325.453 1.366 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cncc(Br)c2)CC1 ZINC000341448693 444837810 /nfs/dbraw/zinc/83/78/10/444837810.db2.gz CBACIHHVSIBVDS-UHFFFAOYSA-N 1 2 339.237 1.268 20 30 EDEDLO CC(=O)N1CC[C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000330126713 444854351 /nfs/dbraw/zinc/85/43/51/444854351.db2.gz CFYAGRORCZCQGF-ROUUACIJSA-N 1 2 345.443 1.712 20 30 EDEDLO CC(=O)N1CC[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000330126713 444854355 /nfs/dbraw/zinc/85/43/55/444854355.db2.gz CFYAGRORCZCQGF-ROUUACIJSA-N 1 2 345.443 1.712 20 30 EDEDLO C=C(C)Cn1c(CC2CC2)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000338810701 444863611 /nfs/dbraw/zinc/86/36/11/444863611.db2.gz ZWKWRTSMTBJMAC-UHFFFAOYSA-N 1 2 346.479 1.065 20 30 EDEDLO Cc1cc(C#N)nc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)n1 ZINC000341526060 444876283 /nfs/dbraw/zinc/87/62/83/444876283.db2.gz BTASBNBYIYYKOY-ZIAGYGMSSA-N 1 2 338.415 2.277 20 30 EDEDLO Cc1nnc(-c2ccccc2C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)o1 ZINC000330054800 444827997 /nfs/dbraw/zinc/82/79/97/444827997.db2.gz SPGIZPMFUGMNCB-ZDUSSCGKSA-N 1 2 343.431 1.986 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)N2CCOC[C@@H](C3CCC3)C2)CCO1 ZINC000330192343 444881161 /nfs/dbraw/zinc/88/11/61/444881161.db2.gz NSDDMVDEQPQEDC-INIZCTEOSA-N 1 2 339.480 1.760 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCOC[C@@H](C3CCC3)C2)CCO1 ZINC000330192343 444881165 /nfs/dbraw/zinc/88/11/65/444881165.db2.gz NSDDMVDEQPQEDC-INIZCTEOSA-N 1 2 339.480 1.760 20 30 EDEDLO COC[C@H]1C[C@@H](OC)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000344376531 444928572 /nfs/dbraw/zinc/92/85/72/444928572.db2.gz XDASYBLYUPUHLU-ZIAGYGMSSA-N 1 2 337.807 1.886 20 30 EDEDLO COC[C@H]1C[C@@H](OC)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000344376531 444928575 /nfs/dbraw/zinc/92/85/75/444928575.db2.gz XDASYBLYUPUHLU-ZIAGYGMSSA-N 1 2 337.807 1.886 20 30 EDEDLO C[C@@H](C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)n1cnc(C#N)n1 ZINC000337055514 444920131 /nfs/dbraw/zinc/92/01/31/444920131.db2.gz PHHBSMYUUTXRAJ-ZDUSSCGKSA-N 1 2 342.378 1.194 20 30 EDEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[NH+]1CCOCC1 ZINC000341732372 444976312 /nfs/dbraw/zinc/97/63/12/444976312.db2.gz SRPQVHCTZZYVIU-KRWDZBQOSA-N 1 2 331.416 1.410 20 30 EDEDLO COC1CCC(CNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000330338199 444942498 /nfs/dbraw/zinc/94/24/98/444942498.db2.gz VCFAJKYNSJUHAT-UYSNPLJNSA-N 1 2 349.479 1.828 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(CC(=O)NC(=O)NCC(C)C)CC1 ZINC000330484391 445000372 /nfs/dbraw/zinc/00/03/72/445000372.db2.gz YETGNCVQQNUFDR-UHFFFAOYSA-N 1 2 333.436 1.198 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc(C#N)o1)C2 ZINC000344546656 445050920 /nfs/dbraw/zinc/05/09/20/445050920.db2.gz VBBHLDMHQJODNX-NSHDSACASA-N 1 2 348.428 1.939 20 30 EDEDLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)n1cnc(C#N)n1 ZINC000344550838 445052887 /nfs/dbraw/zinc/05/28/87/445052887.db2.gz LGMYZDXDEVARTR-GFCCVEGCSA-N 1 2 325.376 1.022 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000342032694 445134651 /nfs/dbraw/zinc/13/46/51/445134651.db2.gz AHDUIXMGVOSKIF-KSSFIOAISA-N 1 2 330.432 1.589 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000342032694 445134653 /nfs/dbraw/zinc/13/46/53/445134653.db2.gz AHDUIXMGVOSKIF-KSSFIOAISA-N 1 2 330.432 1.589 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1)OCC ZINC000339433147 445139087 /nfs/dbraw/zinc/13/90/87/445139087.db2.gz JYUOMVHJDGFTPG-MRXNPFEDSA-N 1 2 337.464 1.124 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000341992198 445111456 /nfs/dbraw/zinc/11/14/56/445111456.db2.gz OSINYCWHUUEGAS-INIZCTEOSA-N 1 2 343.427 1.879 20 30 EDEDLO C[C@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000339700676 445162032 /nfs/dbraw/zinc/16/20/32/445162032.db2.gz DORUMDYFGZGOAZ-SJLPKXTDSA-N 1 2 342.443 1.116 20 30 EDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000330887130 445181981 /nfs/dbraw/zinc/18/19/81/445181981.db2.gz FIUCNTUSMSVFKJ-LBPRGKRZSA-N 1 2 341.458 1.457 20 30 EDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000330887130 445181987 /nfs/dbraw/zinc/18/19/87/445181987.db2.gz FIUCNTUSMSVFKJ-LBPRGKRZSA-N 1 2 341.458 1.457 20 30 EDEDLO C[C@H](O)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000330791742 445143103 /nfs/dbraw/zinc/14/31/03/445143103.db2.gz BQALRKBOBVDHNU-MELADBBJSA-N 1 2 336.436 1.470 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2cc(C)nn2C(C)(C)C)C1 ZINC000330958999 445201744 /nfs/dbraw/zinc/20/17/44/445201744.db2.gz XAGFLDZCXQDGEH-GFCCVEGCSA-N 1 2 336.440 1.093 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C)nn2C(C)(C)C)C1 ZINC000330958999 445201746 /nfs/dbraw/zinc/20/17/46/445201746.db2.gz XAGFLDZCXQDGEH-GFCCVEGCSA-N 1 2 336.440 1.093 20 30 EDEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348309870 445252303 /nfs/dbraw/zinc/25/23/03/445252303.db2.gz VBGTXHZOJWVQES-BBRMVZONSA-N 1 2 334.851 1.999 20 30 EDEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000348332848 445258981 /nfs/dbraw/zinc/25/89/81/445258981.db2.gz WJAVLBAYQAYUDR-INIZCTEOSA-N 1 2 332.835 1.755 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccc(C#N)o1 ZINC000362375579 445351181 /nfs/dbraw/zinc/35/11/81/445351181.db2.gz HAJFBKBFLMXHPV-KRWDZBQOSA-N 1 2 335.367 1.781 20 30 EDEDLO COC(=O)C1(O)CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000354827940 445413292 /nfs/dbraw/zinc/41/32/92/445413292.db2.gz HBRQYLSVMSAJLZ-UHFFFAOYSA-N 1 2 340.326 1.660 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C[C@H](C)C#N)C1CC1 ZINC000355346128 445455463 /nfs/dbraw/zinc/45/54/63/445455463.db2.gz KILAIKRBGLPTQE-CJNGLKHVSA-N 1 2 345.447 1.634 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C[C@H](C)C#N)C1CC1 ZINC000355346128 445455469 /nfs/dbraw/zinc/45/54/69/445455469.db2.gz KILAIKRBGLPTQE-CJNGLKHVSA-N 1 2 345.447 1.634 20 30 EDEDLO N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC000359850198 445459529 /nfs/dbraw/zinc/45/95/29/445459529.db2.gz VXXCIULGFNDUQS-GFCCVEGCSA-N 1 2 333.355 1.537 20 30 EDEDLO N#Cc1cc(S(=O)(=O)NCC[N@H+]2CC=CCC2)ccc1Cl ZINC000360064038 445551027 /nfs/dbraw/zinc/55/10/27/445551027.db2.gz RBHLLPWNHZPWTD-UHFFFAOYSA-N 1 2 325.821 1.752 20 30 EDEDLO N#Cc1cc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)ccc1Cl ZINC000360064038 445551031 /nfs/dbraw/zinc/55/10/31/445551031.db2.gz RBHLLPWNHZPWTD-UHFFFAOYSA-N 1 2 325.821 1.752 20 30 EDEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1COC[C@@H]1O ZINC000352801638 445555804 /nfs/dbraw/zinc/55/58/04/445555804.db2.gz SXNNHWDNTALTMB-CABCVRRESA-N 1 2 337.807 1.278 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1COC[C@@H]1O ZINC000352801638 445555810 /nfs/dbraw/zinc/55/58/10/445555810.db2.gz SXNNHWDNTALTMB-CABCVRRESA-N 1 2 337.807 1.278 20 30 EDEDLO N#Cc1cccc(F)c1CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000349324890 445564433 /nfs/dbraw/zinc/56/44/33/445564433.db2.gz ISZGRZUWNWHZIE-UHFFFAOYSA-N 1 2 338.386 1.979 20 30 EDEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)N1CCCCCC1 ZINC000353172287 445579078 /nfs/dbraw/zinc/57/90/78/445579078.db2.gz NLUVLWJDKVPVNV-GOSISDBHSA-N 1 2 334.464 1.519 20 30 EDEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(=O)N1CCCCCC1 ZINC000353172287 445579082 /nfs/dbraw/zinc/57/90/82/445579082.db2.gz NLUVLWJDKVPVNV-GOSISDBHSA-N 1 2 334.464 1.519 20 30 EDEDLO C=CC[C@@H]1N(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)CCCC1(C)C ZINC000358155796 445607717 /nfs/dbraw/zinc/60/77/17/445607717.db2.gz OVKKVKUFPJTPDZ-CABCVRRESA-N 1 2 337.464 1.027 20 30 EDEDLO C=CC[C@@H]1N(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCCC1(C)C ZINC000358155796 445607720 /nfs/dbraw/zinc/60/77/20/445607720.db2.gz OVKKVKUFPJTPDZ-CABCVRRESA-N 1 2 337.464 1.027 20 30 EDEDLO CC(C)(C#N)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000349623906 445625856 /nfs/dbraw/zinc/62/58/56/445625856.db2.gz CMSIZWQIKGOEOJ-UHFFFAOYSA-N 1 2 330.432 1.868 20 30 EDEDLO C=CCCS(=O)(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000360203182 445626509 /nfs/dbraw/zinc/62/65/09/445626509.db2.gz NZSQVEIJKFFSLO-UHFFFAOYSA-N 1 2 328.438 1.396 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356155161 445651957 /nfs/dbraw/zinc/65/19/57/445651957.db2.gz TWOCZTZGOOZBRC-CYBMUJFWSA-N 1 2 332.404 1.799 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356155161 445651961 /nfs/dbraw/zinc/65/19/61/445651961.db2.gz TWOCZTZGOOZBRC-CYBMUJFWSA-N 1 2 332.404 1.799 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)c1C#N ZINC000349882250 445710634 /nfs/dbraw/zinc/71/06/34/445710634.db2.gz MRUXNNIRHMKSGJ-ZDUSSCGKSA-N 1 2 332.452 1.025 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000349888385 445713683 /nfs/dbraw/zinc/71/36/83/445713683.db2.gz HAMNJFGEOCPGLY-CYBMUJFWSA-N 1 2 331.391 1.566 20 30 EDEDLO CN(C[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1)S(C)(=O)=O ZINC000356301289 445724632 /nfs/dbraw/zinc/72/46/32/445724632.db2.gz LJZVDRNMBGWAHK-LLVKDONJSA-N 1 2 328.463 1.118 20 30 EDEDLO CN(C[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1)S(C)(=O)=O ZINC000356301289 445724635 /nfs/dbraw/zinc/72/46/35/445724635.db2.gz LJZVDRNMBGWAHK-LLVKDONJSA-N 1 2 328.463 1.118 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000361007585 445743521 /nfs/dbraw/zinc/74/35/21/445743521.db2.gz ACDMYVKOWLVRMV-LBPRGKRZSA-N 1 2 341.371 2.147 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000361007585 445743525 /nfs/dbraw/zinc/74/35/25/445743525.db2.gz ACDMYVKOWLVRMV-LBPRGKRZSA-N 1 2 341.371 2.147 20 30 EDEDLO C=CCNc1nnc(S(=O)(=O)Cc2[nH+]ccn2C(C)C)s1 ZINC000358738775 445751726 /nfs/dbraw/zinc/75/17/26/445751726.db2.gz BJFOBEBRGWIALE-UHFFFAOYSA-N 1 2 327.435 1.887 20 30 EDEDLO Cc1cc(NC(=O)NCCCn2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000364507400 445929082 /nfs/dbraw/zinc/92/90/82/445929082.db2.gz JFFHVBPZMNDHAI-UHFFFAOYSA-N 1 2 349.398 2.461 20 30 EDEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000356632586 445898738 /nfs/dbraw/zinc/89/87/38/445898738.db2.gz ZNVAAIPRTZQPKX-QWRGUYRKSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000356632586 445898740 /nfs/dbraw/zinc/89/87/40/445898740.db2.gz ZNVAAIPRTZQPKX-QWRGUYRKSA-N 1 2 327.837 1.925 20 30 EDEDLO CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1)C1(C#N)CCCCC1 ZINC000369062149 445902086 /nfs/dbraw/zinc/90/20/86/445902086.db2.gz GVUFCOPTJXRPID-INIZCTEOSA-N 1 2 346.475 1.662 20 30 EDEDLO CN(C(=O)C[N@H+]1CC[C@H](NC(=O)C2CCC2)C1)C1(C#N)CCCCC1 ZINC000369062149 445902095 /nfs/dbraw/zinc/90/20/95/445902095.db2.gz GVUFCOPTJXRPID-INIZCTEOSA-N 1 2 346.475 1.662 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)cc1 ZINC000369062036 445902270 /nfs/dbraw/zinc/90/22/70/445902270.db2.gz GJYZBWFWDFEPIJ-INIZCTEOSA-N 1 2 326.400 1.487 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)C3CCC3)C2)cc1 ZINC000369062036 445902276 /nfs/dbraw/zinc/90/22/76/445902276.db2.gz GJYZBWFWDFEPIJ-INIZCTEOSA-N 1 2 326.400 1.487 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCC2)[C@@H](c2ccccc2)C1 ZINC000354125575 445922831 /nfs/dbraw/zinc/92/28/31/445922831.db2.gz RYQJTCCSDIQDDX-MRXNPFEDSA-N 1 2 333.457 1.999 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCC2)[C@@H](c2ccccc2)C1 ZINC000354125575 445922838 /nfs/dbraw/zinc/92/28/38/445922838.db2.gz RYQJTCCSDIQDDX-MRXNPFEDSA-N 1 2 333.457 1.999 20 30 EDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000350835675 445923417 /nfs/dbraw/zinc/92/34/17/445923417.db2.gz SLCVVIUTPTXQQG-WDEREUQCSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000350835675 445923423 /nfs/dbraw/zinc/92/34/23/445923423.db2.gz SLCVVIUTPTXQQG-WDEREUQCSA-N 1 2 327.837 1.925 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)c4ccccn4)CC3)n2c1 ZINC000351002779 445967679 /nfs/dbraw/zinc/96/76/79/445967679.db2.gz PMMFAXAQASYSQF-UHFFFAOYSA-N 1 2 346.394 1.559 20 30 EDEDLO C#CCC1(C(=O)N2CCC[N@@H+](CC(=O)NCC)CC2)CCCCC1 ZINC000365029876 445982725 /nfs/dbraw/zinc/98/27/25/445982725.db2.gz ZVGZHGQOFPKDNN-UHFFFAOYSA-N 1 2 333.476 1.631 20 30 EDEDLO C#CCC1(C(=O)N2CCC[N@H+](CC(=O)NCC)CC2)CCCCC1 ZINC000365029876 445982729 /nfs/dbraw/zinc/98/27/29/445982729.db2.gz ZVGZHGQOFPKDNN-UHFFFAOYSA-N 1 2 333.476 1.631 20 30 EDEDLO Cc1onc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C#N ZINC000354358935 446141919 /nfs/dbraw/zinc/14/19/19/446141919.db2.gz XDQZMGCIKBGBGC-UHFFFAOYSA-N 1 2 349.394 1.613 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O)C1CC1 ZINC000366418466 446203117 /nfs/dbraw/zinc/20/31/17/446203117.db2.gz MLADFTLZBNSSCL-GOEBONIOSA-N 1 2 341.477 1.084 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O)C1CC1 ZINC000366418466 446203122 /nfs/dbraw/zinc/20/31/22/446203122.db2.gz MLADFTLZBNSSCL-GOEBONIOSA-N 1 2 341.477 1.084 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@@]2(CCCOC2)O1 ZINC000373637920 446287644 /nfs/dbraw/zinc/28/76/44/446287644.db2.gz LKIQZDIBRJDGLC-KBXCAEBGSA-N 1 2 326.400 1.976 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@@]2(CCCOC2)O1 ZINC000373637920 446287649 /nfs/dbraw/zinc/28/76/49/446287649.db2.gz LKIQZDIBRJDGLC-KBXCAEBGSA-N 1 2 326.400 1.976 20 30 EDEDLO COC(=O)c1oc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc1C ZINC000370623604 446363020 /nfs/dbraw/zinc/36/30/20/446363020.db2.gz ZYVNMDBMERUUCZ-UHFFFAOYSA-N 1 2 340.383 1.964 20 30 EDEDLO COC(=O)C(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411223875 446432125 /nfs/dbraw/zinc/43/21/25/446432125.db2.gz DFSKHYMOOGMADF-UHFFFAOYSA-N 1 2 335.429 1.978 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000366970156 446435633 /nfs/dbraw/zinc/43/56/33/446435633.db2.gz PTSCIYNVPABPEO-ZDUSSCGKSA-N 1 2 347.444 1.655 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCN(c3cccc(O)c3)CC2)cc1 ZINC000411157685 446412176 /nfs/dbraw/zinc/41/21/76/446412176.db2.gz MTWAMQZSOLVICH-GOSISDBHSA-N 1 2 336.395 1.612 20 30 EDEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000367485385 446554359 /nfs/dbraw/zinc/55/43/59/446554359.db2.gz XOECOGVYRNLALA-GVDBMIGSSA-N 1 2 349.475 1.845 20 30 EDEDLO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000367485385 446554363 /nfs/dbraw/zinc/55/43/63/446554363.db2.gz XOECOGVYRNLALA-GVDBMIGSSA-N 1 2 349.475 1.845 20 30 EDEDLO C[C@@H]1C[N@@H+](CCN(C)[C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000434698898 446658865 /nfs/dbraw/zinc/65/88/65/446658865.db2.gz XNCSAGZOCRBWDO-JKIFEVAISA-N 1 2 330.432 1.126 20 30 EDEDLO C[C@@H]1C[N@H+](CCN(C)[C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000434698898 446658872 /nfs/dbraw/zinc/65/88/72/446658872.db2.gz XNCSAGZOCRBWDO-JKIFEVAISA-N 1 2 330.432 1.126 20 30 EDEDLO C[C@@H]1CN(CC[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000434698898 446658877 /nfs/dbraw/zinc/65/88/77/446658877.db2.gz XNCSAGZOCRBWDO-JKIFEVAISA-N 1 2 330.432 1.126 20 30 EDEDLO C[C@@H]1CN(CC[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000434698898 446658882 /nfs/dbraw/zinc/65/88/82/446658882.db2.gz XNCSAGZOCRBWDO-JKIFEVAISA-N 1 2 330.432 1.126 20 30 EDEDLO CC(C)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@@H]1CCC(=O)N1 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1.891 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000444799119 447137687 /nfs/dbraw/zinc/13/76/87/447137687.db2.gz RVLWXWDAFHNSRI-MRXNPFEDSA-N 1 2 349.456 1.074 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000444799119 447137694 /nfs/dbraw/zinc/13/76/94/447137694.db2.gz RVLWXWDAFHNSRI-MRXNPFEDSA-N 1 2 349.456 1.074 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425400761 447146786 /nfs/dbraw/zinc/14/67/86/447146786.db2.gz GDHUUMIJOCMQPQ-CABCVRRESA-N 1 2 330.432 1.981 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444716412 447127169 /nfs/dbraw/zinc/12/71/69/447127169.db2.gz FXHHZOBOWQUEIW-UBHSHLNASA-N 1 2 335.370 1.676 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444716412 447127176 /nfs/dbraw/zinc/12/71/76/447127176.db2.gz FXHHZOBOWQUEIW-UBHSHLNASA-N 1 2 335.370 1.676 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414049849 447273263 /nfs/dbraw/zinc/27/32/63/447273263.db2.gz IXDWCVGVRDFVMC-OAHLLOKOSA-N 1 2 345.443 1.895 20 30 EDEDLO CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccco1 ZINC000414092240 447274349 /nfs/dbraw/zinc/27/43/49/447274349.db2.gz FMAFSZNTTWDUEE-GFCCVEGCSA-N 1 2 335.433 1.856 20 30 EDEDLO CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccco1 ZINC000414092240 447274351 /nfs/dbraw/zinc/27/43/51/447274351.db2.gz FMAFSZNTTWDUEE-GFCCVEGCSA-N 1 2 335.433 1.856 20 30 EDEDLO C=CCCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448134833 447303847 /nfs/dbraw/zinc/30/38/47/447303847.db2.gz NWSVNPXIFMIUPL-UHFFFAOYSA-N 1 2 345.447 1.386 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1=O ZINC000419960253 447515175 /nfs/dbraw/zinc/51/51/75/447515175.db2.gz XSOYVFQRRAQTMT-IRXDYDNUSA-N 1 2 343.427 1.947 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(C[C@H]2CCCN2c2cc(NC)[nH+]cn2)C1=O ZINC000419989220 447531236 /nfs/dbraw/zinc/53/12/36/447531236.db2.gz AOFAPCHLGURFLK-OLZOCXBDSA-N 1 2 344.419 1.374 20 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CC[C@H]1C[N@H+](CCNS(=O)(=O)CC2(C#N)CCCC2)CCO1 ZINC000487381325 447831345 /nfs/dbraw/zinc/83/13/45/447831345.db2.gz XNXYLAVHCFAVGH-AWEZNQCLSA-N 1 2 329.466 1.101 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNS(=O)(=O)CC2(C#N)CCCC2)CCO1 ZINC000487381325 447831346 /nfs/dbraw/zinc/83/13/46/447831346.db2.gz XNXYLAVHCFAVGH-AWEZNQCLSA-N 1 2 329.466 1.101 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000488381380 447846306 /nfs/dbraw/zinc/84/63/06/447846306.db2.gz BQMWVQHPNNSJQY-UHFFFAOYSA-N 1 2 346.475 1.690 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000488381380 447846308 /nfs/dbraw/zinc/84/63/08/447846308.db2.gz BQMWVQHPNNSJQY-UHFFFAOYSA-N 1 2 346.475 1.690 20 30 EDEDLO C#CCN(CCc1[nH+]c2ccccc2n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490866839 447902031 /nfs/dbraw/zinc/90/20/31/447902031.db2.gz VXYFEUNBQDEEAQ-CQSZACIVSA-N 1 2 331.441 1.238 20 30 EDEDLO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000552494036 447952421 /nfs/dbraw/zinc/95/24/21/447952421.db2.gz UIQLYFXUKMJPEV-INIZCTEOSA-N 1 2 326.400 1.692 20 30 EDEDLO C#CCN(C(=O)C(=O)NCc1ccc[nH+]c1N(C)C)C1CCCC1 ZINC000491071553 447919381 /nfs/dbraw/zinc/91/93/81/447919381.db2.gz LJPIZZMGGQKZPI-UHFFFAOYSA-N 1 2 328.416 1.168 20 30 EDEDLO C#CCNC(=O)C1CCN(c2cc(NCCCC)[nH+]c(N)n2)CC1 ZINC000491128209 447933746 /nfs/dbraw/zinc/93/37/46/447933746.db2.gz ZJFGKKPYFBJBRB-UHFFFAOYSA-N 1 2 330.436 1.237 20 30 EDEDLO C#CCNC(=O)C1CCN(c2cc(NCCCC)nc(N)[nH+]2)CC1 ZINC000491128209 447933751 /nfs/dbraw/zinc/93/37/51/447933751.db2.gz ZJFGKKPYFBJBRB-UHFFFAOYSA-N 1 2 330.436 1.237 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)NCCCC#N ZINC000497255051 448009752 /nfs/dbraw/zinc/00/97/52/448009752.db2.gz XQZRJMVXFWYWHY-CYBMUJFWSA-N 1 2 339.440 1.140 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)NCCCC#N ZINC000497255051 448009757 /nfs/dbraw/zinc/00/97/57/448009757.db2.gz XQZRJMVXFWYWHY-CYBMUJFWSA-N 1 2 339.440 1.140 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(CO)n(-c3ccccc3)c2=S)CC1 ZINC000491567529 448059448 /nfs/dbraw/zinc/05/94/48/448059448.db2.gz LPXAKIOVELSAKI-UHFFFAOYSA-N 1 2 343.456 1.104 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000491662838 448077838 /nfs/dbraw/zinc/07/78/38/448077838.db2.gz RKFFULOYCGLZLL-MRXNPFEDSA-N 1 2 328.416 1.616 20 30 EDEDLO C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000571247031 448123633 /nfs/dbraw/zinc/12/36/33/448123633.db2.gz RRIBGJPKCLCRMS-CQSZACIVSA-N 1 2 341.367 1.866 20 30 EDEDLO N#Cc1ccccc1CSCCNc1[nH+]cnc2c1OCCN2 ZINC000591136845 448269994 /nfs/dbraw/zinc/26/99/94/448269994.db2.gz FSYAYDZYIHGMDL-UHFFFAOYSA-N 1 2 327.413 2.498 20 30 EDEDLO N#Cc1ccccc1CSCCNc1nc[nH+]c2c1OCCN2 ZINC000591136845 448270000 /nfs/dbraw/zinc/27/00/00/448270000.db2.gz FSYAYDZYIHGMDL-UHFFFAOYSA-N 1 2 327.413 2.498 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(C[C@@]2([NH+]3CCOCC3)CCSC2)C1=O ZINC000563648108 448309832 /nfs/dbraw/zinc/30/98/32/448309832.db2.gz KBKACPMHFSNMCJ-BBRMVZONSA-N 1 2 339.461 1.081 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C1(C#N)CCCCC1)C2 ZINC000577397984 448286963 /nfs/dbraw/zinc/28/69/63/448286963.db2.gz VQQCAADGXMTVOD-AWEZNQCLSA-N 1 2 330.432 1.631 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000563362389 448296992 /nfs/dbraw/zinc/29/69/92/448296992.db2.gz BWDUGZNGGITZIH-DLBZAZTESA-N 1 2 348.491 1.514 20 30 EDEDLO COc1cc([C@H](C#N)NC(=O)C=Cc2c[nH]c[nH+]2)cc(OC)c1OC ZINC000492808722 448300551 /nfs/dbraw/zinc/30/05/51/448300551.db2.gz DLSPQRXBPCJECX-IHVVCDCBSA-N 1 2 342.355 1.830 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CN1c2ccccc2SCC1=O ZINC000577694032 448358229 /nfs/dbraw/zinc/35/82/29/448358229.db2.gz YOZOFJCJBJNHJM-MRXNPFEDSA-N 1 2 332.429 1.085 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000572375759 448362665 /nfs/dbraw/zinc/36/26/65/448362665.db2.gz WEULWGRRRZWOGV-KRWDZBQOSA-N 1 2 343.427 1.213 20 30 EDEDLO N#Cc1cncc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000591458914 448370520 /nfs/dbraw/zinc/37/05/20/448370520.db2.gz ZVOJFSOMLBZNMJ-INIZCTEOSA-N 1 2 343.818 1.857 20 30 EDEDLO CN(C(=O)CN1CCC[C@@H]([NH+]2CCOCC2)C1)C1(C#N)CCCCC1 ZINC000577765777 448383493 /nfs/dbraw/zinc/38/34/93/448383493.db2.gz MBBMIPIUGNSPPA-QGZVFWFLSA-N 1 2 348.491 1.468 20 30 EDEDLO CC(C)(CC#N)CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591551805 448388250 /nfs/dbraw/zinc/38/82/50/448388250.db2.gz VOKYOIAZJJPYDD-UHFFFAOYSA-N 1 2 328.416 1.174 20 30 EDEDLO CC(C)c1nc(N(C)CCCc2[nH]nc(N)c2C#N)nc(N(C)C)[nH+]1 ZINC000536597502 448531417 /nfs/dbraw/zinc/53/14/17/448531417.db2.gz JWBZYLRJSNJRMA-UHFFFAOYSA-N 1 2 343.439 1.307 20 30 EDEDLO CC(C)c1nc(N(C)C)nc(N(C)CCCc2[nH]nc(N)c2C#N)[nH+]1 ZINC000536597502 448531422 /nfs/dbraw/zinc/53/14/22/448531422.db2.gz JWBZYLRJSNJRMA-UHFFFAOYSA-N 1 2 343.439 1.307 20 30 EDEDLO Cc1nnc([C@H]2CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)[nH]1 ZINC000528527195 448570241 /nfs/dbraw/zinc/57/02/41/448570241.db2.gz RYWYGVXFOLEVMI-AWEZNQCLSA-N 1 2 349.394 1.202 20 30 EDEDLO Cc1nnc([C@H]2CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)[nH]1 ZINC000528527195 448570246 /nfs/dbraw/zinc/57/02/46/448570246.db2.gz RYWYGVXFOLEVMI-AWEZNQCLSA-N 1 2 349.394 1.202 20 30 EDEDLO Cc1n[nH]c([C@H]2CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000528527195 448570249 /nfs/dbraw/zinc/57/02/49/448570249.db2.gz RYWYGVXFOLEVMI-AWEZNQCLSA-N 1 2 349.394 1.202 20 30 EDEDLO Cc1n[nH]c([C@H]2CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000528527195 448570253 /nfs/dbraw/zinc/57/02/53/448570253.db2.gz RYWYGVXFOLEVMI-AWEZNQCLSA-N 1 2 349.394 1.202 20 30 EDEDLO Cc1nc([C@H]2CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)n[nH]1 ZINC000528527195 448570256 /nfs/dbraw/zinc/57/02/56/448570256.db2.gz RYWYGVXFOLEVMI-AWEZNQCLSA-N 1 2 349.394 1.202 20 30 EDEDLO Cc1nc([C@H]2CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)n[nH]1 ZINC000528527195 448570259 /nfs/dbraw/zinc/57/02/59/448570259.db2.gz RYWYGVXFOLEVMI-AWEZNQCLSA-N 1 2 349.394 1.202 20 30 EDEDLO C=CCC1(C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)CCOCC1 ZINC000578540406 448574642 /nfs/dbraw/zinc/57/46/42/448574642.db2.gz XOPOLEBFKXNXLM-OAHLLOKOSA-N 1 2 347.459 1.530 20 30 EDEDLO CC(C)CN1CC[N@H+](C[C@H](O)COc2ccccc2C#N)CC1=O ZINC000528463541 448537944 /nfs/dbraw/zinc/53/79/44/448537944.db2.gz HQDPKSBCLJORBD-INIZCTEOSA-N 1 2 331.416 1.098 20 30 EDEDLO CC(C)CN1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)CC1=O ZINC000528463541 448537950 /nfs/dbraw/zinc/53/79/50/448537950.db2.gz HQDPKSBCLJORBD-INIZCTEOSA-N 1 2 331.416 1.098 20 30 EDEDLO COc1ccc2ncc(C#N)c(N[C@H](C)C[NH+]3CCOCC3)c2c1 ZINC000591897432 448553402 /nfs/dbraw/zinc/55/34/02/448553402.db2.gz OHYNRASOSNYQLT-CYBMUJFWSA-N 1 2 326.400 1.670 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c1C#N ZINC000517957992 448635177 /nfs/dbraw/zinc/63/51/77/448635177.db2.gz XWPPPJXKMAJVIE-INIZCTEOSA-N 1 2 343.427 1.641 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)c1C#N ZINC000517957992 448635185 /nfs/dbraw/zinc/63/51/85/448635185.db2.gz XWPPPJXKMAJVIE-INIZCTEOSA-N 1 2 343.427 1.641 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)nn1 ZINC000573676680 448686680 /nfs/dbraw/zinc/68/66/80/448686680.db2.gz IZCMGPDQSSTQLU-OAHLLOKOSA-N 1 2 340.431 1.768 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000573696985 448692778 /nfs/dbraw/zinc/69/27/78/448692778.db2.gz OHQVHLKCIWLINW-HUUCEWRRSA-N 1 2 325.453 1.074 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000592147530 448707437 /nfs/dbraw/zinc/70/74/37/448707437.db2.gz PUCOAYCUNNGJJF-KDOFPFPSSA-N 1 2 344.415 1.691 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000592147530 448707444 /nfs/dbraw/zinc/70/74/44/448707444.db2.gz PUCOAYCUNNGJJF-KDOFPFPSSA-N 1 2 344.415 1.691 20 30 EDEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c1C ZINC000592148880 448708969 /nfs/dbraw/zinc/70/89/69/448708969.db2.gz DJSANRVMRFOLRA-PXAZEXFGSA-N 1 2 333.388 1.340 20 30 EDEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c1C ZINC000592148880 448708974 /nfs/dbraw/zinc/70/89/74/448708974.db2.gz DJSANRVMRFOLRA-PXAZEXFGSA-N 1 2 333.388 1.340 20 30 EDEDLO CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149406 448709853 /nfs/dbraw/zinc/70/98/53/448709853.db2.gz OOSBEZHPIONKDS-KRWDZBQOSA-N 1 2 331.372 1.152 20 30 EDEDLO CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149406 448709857 /nfs/dbraw/zinc/70/98/57/448709857.db2.gz OOSBEZHPIONKDS-KRWDZBQOSA-N 1 2 331.372 1.152 20 30 EDEDLO N#CCC1CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000543772688 448748244 /nfs/dbraw/zinc/74/82/44/448748244.db2.gz BDURBGBTYWTWBR-UHFFFAOYSA-N 1 2 343.431 1.753 20 30 EDEDLO C[C@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)n1cnc(C#N)n1 ZINC000545974125 448811051 /nfs/dbraw/zinc/81/10/51/448811051.db2.gz GGOJNAOBUKASBH-LLVKDONJSA-N 1 2 345.432 1.792 20 30 EDEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000586785134 448811488 /nfs/dbraw/zinc/81/14/88/448811488.db2.gz WLNCWYLUOWJPFL-LSDHHAIUSA-N 1 2 340.370 1.848 20 30 EDEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000586785134 448811493 /nfs/dbraw/zinc/81/14/93/448811493.db2.gz WLNCWYLUOWJPFL-LSDHHAIUSA-N 1 2 340.370 1.848 20 30 EDEDLO N#Cc1ccc(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1Cl ZINC000586868872 448830012 /nfs/dbraw/zinc/83/00/12/448830012.db2.gz MSNKDCUKCZYBPE-ZDUSSCGKSA-N 1 2 329.747 1.598 20 30 EDEDLO N#Cc1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1Cl ZINC000586868872 448830017 /nfs/dbraw/zinc/83/00/17/448830017.db2.gz MSNKDCUKCZYBPE-ZDUSSCGKSA-N 1 2 329.747 1.598 20 30 EDEDLO N#Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)c1 ZINC000588842577 448937446 /nfs/dbraw/zinc/93/74/46/448937446.db2.gz ABALRJBXAYRJNP-CQSZACIVSA-N 1 2 325.372 1.583 20 30 EDEDLO N#Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)c1 ZINC000588842577 448937447 /nfs/dbraw/zinc/93/74/47/448937447.db2.gz ABALRJBXAYRJNP-CQSZACIVSA-N 1 2 325.372 1.583 20 30 EDEDLO CN1C(=O)c2ccc(NC(=O)C[N@@H+]3CCC[C@@H](CC#N)C3)cc2C1=O ZINC000595613224 449080845 /nfs/dbraw/zinc/08/08/45/449080845.db2.gz AZBOUZXQRJBQGZ-LBPRGKRZSA-N 1 2 340.383 1.477 20 30 EDEDLO CN1C(=O)c2ccc(NC(=O)C[N@H+]3CCC[C@@H](CC#N)C3)cc2C1=O ZINC000595613224 449080854 /nfs/dbraw/zinc/08/08/54/449080854.db2.gz AZBOUZXQRJBQGZ-LBPRGKRZSA-N 1 2 340.383 1.477 20 30 EDEDLO COc1cc(CNC(=O)N2CCn3cc(C)[nH+]c3C2)ccc1C#N ZINC000589710137 449056238 /nfs/dbraw/zinc/05/62/38/449056238.db2.gz FCPZYUFPIRQSJI-UHFFFAOYSA-N 1 2 325.372 1.797 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593093337 449130980 /nfs/dbraw/zinc/13/09/80/449130980.db2.gz DYVMMRIMVYFZRP-WOGXIUBCSA-N 1 2 345.468 1.755 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593093337 449130985 /nfs/dbraw/zinc/13/09/85/449130985.db2.gz DYVMMRIMVYFZRP-WOGXIUBCSA-N 1 2 345.468 1.755 20 30 EDEDLO N#Cc1sccc1N1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000595632652 449090827 /nfs/dbraw/zinc/09/08/27/449090827.db2.gz ZXFQGWLSJYAXID-ZDUSSCGKSA-N 1 2 339.486 1.567 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000548758565 449095606 /nfs/dbraw/zinc/09/56/06/449095606.db2.gz UKEIWVJHYUIMSN-HNNXBMFYSA-N 1 2 347.444 1.579 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ncc(C#N)cc1Cl)C(C)(C)CO ZINC000597844766 449119492 /nfs/dbraw/zinc/11/94/92/449119492.db2.gz BSCKEXOAUXYWMM-CYBMUJFWSA-N 1 2 347.806 1.830 20 30 EDEDLO N#CC1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCC1 ZINC000593167483 449157283 /nfs/dbraw/zinc/15/72/83/449157283.db2.gz UVHYDLCEENXFGQ-UHFFFAOYSA-N 1 2 346.435 1.421 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1C ZINC000611083556 449161854 /nfs/dbraw/zinc/16/18/54/449161854.db2.gz IBUSNQQCFLTHBF-LLVKDONJSA-N 1 2 327.837 1.926 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1C ZINC000611083556 449161859 /nfs/dbraw/zinc/16/18/59/449161859.db2.gz IBUSNQQCFLTHBF-LLVKDONJSA-N 1 2 327.837 1.926 20 30 EDEDLO CN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@@H]1CCC[C@@H]1C#N ZINC000601819540 449168073 /nfs/dbraw/zinc/16/80/73/449168073.db2.gz QNDJKHCBYIMZPF-NVXWUHKLSA-N 1 2 328.416 1.678 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000590362492 449138066 /nfs/dbraw/zinc/13/80/66/449138066.db2.gz MPYYWEIZQPLZMD-OAHLLOKOSA-N 1 2 339.399 1.892 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000590362492 449138067 /nfs/dbraw/zinc/13/80/67/449138067.db2.gz MPYYWEIZQPLZMD-OAHLLOKOSA-N 1 2 339.399 1.892 20 30 EDEDLO COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174403 449200584 /nfs/dbraw/zinc/20/05/84/449200584.db2.gz DMFNTADHPUBCHM-HNNXBMFYSA-N 1 2 330.432 1.231 20 30 EDEDLO CCOc1ccc(CN(C)C(=O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611174827 449200841 /nfs/dbraw/zinc/20/08/41/449200841.db2.gz NRSHQFWJIRGVOO-UHFFFAOYSA-N 1 2 344.459 1.575 20 30 EDEDLO Cc1ccccc1CCNC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174826 449201223 /nfs/dbraw/zinc/20/12/23/449201223.db2.gz RARWOKPHKXVPEP-KRWDZBQOSA-N 1 2 328.460 1.574 20 30 EDEDLO COc1ccccc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000590587979 449203912 /nfs/dbraw/zinc/20/39/12/449203912.db2.gz LYKMXMGGLTXDNN-UHFFFAOYSA-N 1 2 339.395 1.609 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc(C#N)nc1)C(C)(C)CO ZINC000600087890 449182330 /nfs/dbraw/zinc/18/23/30/449182330.db2.gz QCRPMOKRWGLRTH-OAHLLOKOSA-N 1 2 327.388 1.105 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593340510 449233791 /nfs/dbraw/zinc/23/37/91/449233791.db2.gz ZAKPOGWCCQDQKL-CQSZACIVSA-N 1 2 327.432 1.219 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593343960 449235342 /nfs/dbraw/zinc/23/53/42/449235342.db2.gz PYLPFYUSIBJTEP-UHFFFAOYSA-N 1 2 328.416 1.694 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593343960 449235348 /nfs/dbraw/zinc/23/53/48/449235348.db2.gz PYLPFYUSIBJTEP-UHFFFAOYSA-N 1 2 328.416 1.694 20 30 EDEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3nccc(C#N)n3)CC2)CC1 ZINC000590688547 449247747 /nfs/dbraw/zinc/24/77/47/449247747.db2.gz LOOCAXHIJVGTKV-UHFFFAOYSA-N 1 2 342.447 1.165 20 30 EDEDLO C=CCCn1cc(C[NH+]2CCC(COC)(C(=O)OCC)CC2)nn1 ZINC000593982789 449312391 /nfs/dbraw/zinc/31/23/91/449312391.db2.gz QIOXMWZLAGYQBH-UHFFFAOYSA-N 1 2 336.436 1.646 20 30 EDEDLO C[C@H](CN1CCOCC1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611372268 449275057 /nfs/dbraw/zinc/27/50/57/449275057.db2.gz NJDNOUQXIGRAFU-CQSZACIVSA-N 1 2 345.447 1.266 20 30 EDEDLO N#C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN1Cc1ccccc1 ZINC000602096826 449341629 /nfs/dbraw/zinc/34/16/29/449341629.db2.gz LWUQXEULLHRBOB-GVDBMIGSSA-N 1 2 335.411 1.750 20 30 EDEDLO N#C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN1Cc1ccccc1 ZINC000602096826 449341636 /nfs/dbraw/zinc/34/16/36/449341636.db2.gz LWUQXEULLHRBOB-GVDBMIGSSA-N 1 2 335.411 1.750 20 30 EDEDLO N#Cc1ccc2c(c1)CN(C(=O)NCC1([NH+]3CCOCC3)CC1)C2 ZINC000594243107 449408122 /nfs/dbraw/zinc/40/81/22/449408122.db2.gz ZNIDGICGJDTNGB-UHFFFAOYSA-N 1 2 326.400 1.448 20 30 EDEDLO C=C(C)C[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C(=O)OC ZINC000602197619 449426250 /nfs/dbraw/zinc/42/62/50/449426250.db2.gz VXPOCGYEFDKEIR-DLBZAZTESA-N 1 2 346.427 1.894 20 30 EDEDLO C=C(C)C[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)C(=O)OC ZINC000602197619 449426253 /nfs/dbraw/zinc/42/62/53/449426253.db2.gz VXPOCGYEFDKEIR-DLBZAZTESA-N 1 2 346.427 1.894 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600682112 449489599 /nfs/dbraw/zinc/48/95/99/449489599.db2.gz KAYQLZHADIBTEF-MRXNPFEDSA-N 1 2 339.399 1.221 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600682112 449489603 /nfs/dbraw/zinc/48/96/03/449489603.db2.gz KAYQLZHADIBTEF-MRXNPFEDSA-N 1 2 339.399 1.221 20 30 EDEDLO N#Cc1cnccc1NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596514923 449536637 /nfs/dbraw/zinc/53/66/37/449536637.db2.gz LFQCGMIWEPWSKX-IBGZPJMESA-N 1 2 338.411 1.051 20 30 EDEDLO N#Cc1cnccc1NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596514923 449536644 /nfs/dbraw/zinc/53/66/44/449536644.db2.gz LFQCGMIWEPWSKX-IBGZPJMESA-N 1 2 338.411 1.051 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1S(C)(=O)=O ZINC000614183005 449495104 /nfs/dbraw/zinc/49/51/04/449495104.db2.gz PKDGJACHTFDJMN-AWEZNQCLSA-N 1 2 335.473 1.953 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1S(C)(=O)=O ZINC000614183005 449495105 /nfs/dbraw/zinc/49/51/05/449495105.db2.gz PKDGJACHTFDJMN-AWEZNQCLSA-N 1 2 335.473 1.953 20 30 EDEDLO N#CC1(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000602305172 449502273 /nfs/dbraw/zinc/50/22/73/449502273.db2.gz DWEIKIQHXHIAGC-UHFFFAOYSA-N 1 2 331.445 1.738 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000602332008 449521082 /nfs/dbraw/zinc/52/10/82/449521082.db2.gz IZEWEUKVIWEWSA-MAUKXSAKSA-N 1 2 328.416 1.109 20 30 EDEDLO Cn1ncc2c1CC(C)(C)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000596599773 449567872 /nfs/dbraw/zinc/56/78/72/449567872.db2.gz ZCSHZMOXHJQPRH-GOSISDBHSA-N 1 2 329.448 1.613 20 30 EDEDLO Cn1ncc2c1CC(C)(C)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000596599773 449567877 /nfs/dbraw/zinc/56/78/77/449567877.db2.gz ZCSHZMOXHJQPRH-GOSISDBHSA-N 1 2 329.448 1.613 20 30 EDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000598739295 449573478 /nfs/dbraw/zinc/57/34/78/449573478.db2.gz XSHWTKOUTAFZLJ-GFCCVEGCSA-N 1 2 325.372 1.382 20 30 EDEDLO C[C@@]1(C#N)CCCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000612099415 449561057 /nfs/dbraw/zinc/56/10/57/449561057.db2.gz WANBGGBJEJJVNJ-SFHVURJKSA-N 1 2 343.431 1.753 20 30 EDEDLO N#Cc1c(F)cc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000596658493 449590899 /nfs/dbraw/zinc/59/08/99/449590899.db2.gz JJEINXXIDASBML-ZDUSSCGKSA-N 1 2 335.354 1.773 20 30 EDEDLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@](C)(C#N)C1 ZINC000612164690 449595721 /nfs/dbraw/zinc/59/57/21/449595721.db2.gz DWBBBGTVODZGHZ-QFBILLFUSA-N 1 2 341.459 1.744 20 30 EDEDLO CN(CCC#N)C(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000601014301 449654021 /nfs/dbraw/zinc/65/40/21/449654021.db2.gz XYIDOMRUXXGVIE-UHFFFAOYSA-N 1 2 334.395 1.555 20 30 EDEDLO C[C@@H]1CCn2cc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)nc2C1 ZINC000601024461 449659628 /nfs/dbraw/zinc/65/96/28/449659628.db2.gz ZEOYTRKRKJEOIE-OAHLLOKOSA-N 1 2 345.447 1.153 20 30 EDEDLO N#CC1(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC2(CC2)C1 ZINC000600989621 449637676 /nfs/dbraw/zinc/63/76/76/449637676.db2.gz DTNAGOROTGABOY-UHFFFAOYSA-N 1 2 326.400 1.618 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1(C#N)CCCCC1 ZINC000596857432 449690446 /nfs/dbraw/zinc/69/04/46/449690446.db2.gz MTNSCTCKYXVAMI-JKSUJKDBSA-N 1 2 334.464 1.965 20 30 EDEDLO Cn1c2cc(C[NH+]3CCN(c4cnccc4C#N)CC3)ccc2oc1=O ZINC000602674530 449744501 /nfs/dbraw/zinc/74/45/01/449744501.db2.gz VOJQORZJDJLLLY-UHFFFAOYSA-N 1 2 349.394 1.720 20 30 EDEDLO CC(=O)N1CC[NH+]([C@H]2CN(C(=O)C3(C#N)CC4(CC4)C3)C[C@H]2C)CC1 ZINC000601296798 449808408 /nfs/dbraw/zinc/80/84/08/449808408.db2.gz ZTVOKHZTZPDKPI-ZBFHGGJFSA-N 1 2 344.459 1.081 20 30 EDEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(C4CCC4)C3=O)CC2)c(F)c1 ZINC000602772188 449795289 /nfs/dbraw/zinc/79/52/89/449795289.db2.gz PPPLDZASWQBQIA-SFHVURJKSA-N 1 2 342.418 1.973 20 30 EDEDLO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855642 449862268 /nfs/dbraw/zinc/86/22/68/449862268.db2.gz IETBYTCCIMQRQF-QLFBSQMISA-N 1 2 343.431 1.641 20 30 EDEDLO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855642 449862270 /nfs/dbraw/zinc/86/22/70/449862270.db2.gz IETBYTCCIMQRQF-QLFBSQMISA-N 1 2 343.431 1.641 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)Nc2ccnn2C2CCCC2)C[C@H](C)N1CC#N ZINC000602863792 449873600 /nfs/dbraw/zinc/87/36/00/449873600.db2.gz PIRRGJOBCZEESV-GJZGRUSLSA-N 1 2 344.463 1.855 20 30 EDEDLO CO[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC000602896344 449903230 /nfs/dbraw/zinc/90/32/30/449903230.db2.gz FNUUHNLOUUIIKB-HNNXBMFYSA-N 1 2 335.429 1.742 20 30 EDEDLO CO[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC000602896344 449903237 /nfs/dbraw/zinc/90/32/37/449903237.db2.gz FNUUHNLOUUIIKB-HNNXBMFYSA-N 1 2 335.429 1.742 20 30 EDEDLO C=CCCSCCNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000595152809 449905389 /nfs/dbraw/zinc/90/53/89/449905389.db2.gz KBOAVVRATYHNCR-UHFFFAOYSA-N 1 2 336.461 1.472 20 30 EDEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599354911 449914675 /nfs/dbraw/zinc/91/46/75/449914675.db2.gz YLEGBZGUQYWMAI-CVEARBPZSA-N 1 2 348.447 1.471 20 30 EDEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599354911 449914676 /nfs/dbraw/zinc/91/46/76/449914676.db2.gz YLEGBZGUQYWMAI-CVEARBPZSA-N 1 2 348.447 1.471 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602924306 449923900 /nfs/dbraw/zinc/92/39/00/449923900.db2.gz NVFBEWOQGRAYAE-FVQBIDKESA-N 1 2 329.400 1.061 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602924306 449923905 /nfs/dbraw/zinc/92/39/05/449923905.db2.gz NVFBEWOQGRAYAE-FVQBIDKESA-N 1 2 329.400 1.061 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3cc(C#N)ccn3)CC2)C[C@@H](C)O1 ZINC000595290541 450005681 /nfs/dbraw/zinc/00/56/81/450005681.db2.gz LUVSTUWBQNPRLB-HZPDHXFCSA-N 1 2 329.448 1.184 20 30 EDEDLO Cc1nnc(CN2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)[nH]1 ZINC000615226252 450010625 /nfs/dbraw/zinc/01/06/25/450010625.db2.gz KMTQAVJUTAAMBW-UHFFFAOYSA-N 1 2 330.823 1.956 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)C[C@@H](C)O1 ZINC000595302966 450015723 /nfs/dbraw/zinc/01/57/23/450015723.db2.gz YLWMOSHNZXMJHS-HZPDHXFCSA-N 1 2 346.450 1.929 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000603101736 450067501 /nfs/dbraw/zinc/06/75/01/450067501.db2.gz PHVPRERTAPXEHO-KBPBESRZSA-N 1 2 325.416 1.790 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000597507591 450069435 /nfs/dbraw/zinc/06/94/35/450069435.db2.gz IPOWWNHVOFJCIP-HUUCEWRRSA-N 1 2 336.399 1.139 20 30 EDEDLO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000599569665 450073033 /nfs/dbraw/zinc/07/30/33/450073033.db2.gz YPEFMKRMQNMWML-SJCJKPOMSA-N 1 2 331.372 1.149 20 30 EDEDLO COC(=O)[C@]1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000599569665 450073039 /nfs/dbraw/zinc/07/30/39/450073039.db2.gz YPEFMKRMQNMWML-SJCJKPOMSA-N 1 2 331.372 1.149 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000609486001 450036192 /nfs/dbraw/zinc/03/61/92/450036192.db2.gz BOLDGQLCGBXVII-MAUKXSAKSA-N 1 2 346.450 1.996 20 30 EDEDLO N#CCc1ccccc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000601534206 450055432 /nfs/dbraw/zinc/05/54/32/450055432.db2.gz CWEKRPPPXASHCH-UHFFFAOYSA-N 1 2 348.406 1.848 20 30 EDEDLO N#CCc1ccccc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000601534206 450055437 /nfs/dbraw/zinc/05/54/37/450055437.db2.gz CWEKRPPPXASHCH-UHFFFAOYSA-N 1 2 348.406 1.848 20 30 EDEDLO N#Cc1sccc1N1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000601667817 450154375 /nfs/dbraw/zinc/15/43/75/450154375.db2.gz XFFLGCAZPKABOV-UHFFFAOYSA-N 1 2 346.456 1.133 20 30 EDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1nc(C(C)(C)C)ccc1C#N ZINC000613427206 450175771 /nfs/dbraw/zinc/17/57/71/450175771.db2.gz VLHBKSBXHKHDKS-OAHLLOKOSA-N 1 2 332.448 1.380 20 30 EDEDLO N#Cc1ccc(CN(C2CC2)S(=O)(=O)CCn2cc[nH+]c2)cc1 ZINC000603276222 450202654 /nfs/dbraw/zinc/20/26/54/450202654.db2.gz KCVQVODQCXMQGE-UHFFFAOYSA-N 1 2 330.413 1.749 20 30 EDEDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000601741423 450206963 /nfs/dbraw/zinc/20/69/63/450206963.db2.gz VRWDZVATPUNXOB-GOSISDBHSA-N 1 2 345.443 1.896 20 30 EDEDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000601741423 450206969 /nfs/dbraw/zinc/20/69/69/450206969.db2.gz VRWDZVATPUNXOB-GOSISDBHSA-N 1 2 345.443 1.896 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000597708303 450211218 /nfs/dbraw/zinc/21/12/18/450211218.db2.gz XZOKHBMNUWALGV-QGZVFWFLSA-N 1 2 342.443 1.561 20 30 EDEDLO N#CCN1CCC(NC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000610427095 450215102 /nfs/dbraw/zinc/21/51/02/450215102.db2.gz MRJAGWQNRJAYOS-UHFFFAOYSA-N 1 2 342.443 1.237 20 30 EDEDLO COCc1cc(C#N)ccc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000603271705 450198055 /nfs/dbraw/zinc/19/80/55/450198055.db2.gz HQXOSIWIEVTWQQ-CQSZACIVSA-N 1 2 342.443 1.494 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000603273560 450199287 /nfs/dbraw/zinc/19/92/87/450199287.db2.gz FAGJGPUGSAXWOP-UHFFFAOYSA-N 1 2 325.372 1.638 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000595601147 450256382 /nfs/dbraw/zinc/25/63/82/450256382.db2.gz NLLUADTXSIPNBP-OAHLLOKOSA-N 1 2 348.834 1.828 20 30 EDEDLO Cc1nc(C#N)n(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1C ZINC000603351403 450259457 /nfs/dbraw/zinc/25/94/57/450259457.db2.gz HOOWKLIPUCLRNP-UHFFFAOYSA-N 1 2 343.456 1.778 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000610564485 450263207 /nfs/dbraw/zinc/26/32/07/450263207.db2.gz QZIRASKENQBQIK-UHFFFAOYSA-N 1 2 330.417 1.703 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000610567073 450263783 /nfs/dbraw/zinc/26/37/83/450263783.db2.gz UMULIODTYQQNOY-FUHWJXTLSA-N 1 2 326.444 1.880 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CCC[N@@H+](Cc2nc([C@H](C)OC)no2)CC1 ZINC000619718821 450318265 /nfs/dbraw/zinc/31/82/65/450318265.db2.gz ZXGSWZQWJHSZRC-QWHCGFSZSA-N 1 2 338.408 1.012 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CCC[N@H+](Cc2nc([C@H](C)OC)no2)CC1 ZINC000619718821 450318269 /nfs/dbraw/zinc/31/82/69/450318269.db2.gz ZXGSWZQWJHSZRC-QWHCGFSZSA-N 1 2 338.408 1.012 20 30 EDEDLO C=C(C)C(C)(C)C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619946353 450381743 /nfs/dbraw/zinc/38/17/43/450381743.db2.gz USEZHJLCVCIXLE-FQEVSTJZSA-N 1 2 346.471 1.968 20 30 EDEDLO C=C(C)C(C)(C)C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619946353 450381746 /nfs/dbraw/zinc/38/17/46/450381746.db2.gz USEZHJLCVCIXLE-FQEVSTJZSA-N 1 2 346.471 1.968 20 30 EDEDLO C=CCc1ccc(OCC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c(OC)c1 ZINC000623279922 450477130 /nfs/dbraw/zinc/47/71/30/450477130.db2.gz HWFBUWPMNSLBFC-CQSZACIVSA-N 1 2 327.384 1.740 20 30 EDEDLO C=CCN1CC[C@H](N(CC[NH+]2CCOCC2)c2ccccc2F)C1=O ZINC000625940719 450538465 /nfs/dbraw/zinc/53/84/65/450538465.db2.gz UJEOTGFHEWSFIO-SFHVURJKSA-N 1 2 347.434 1.751 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000626370476 450708235 /nfs/dbraw/zinc/70/82/35/450708235.db2.gz NXGSYRUZPNSTCZ-KBMXLJTQSA-N 1 2 348.447 1.570 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000636571124 451313404 /nfs/dbraw/zinc/31/34/04/451313404.db2.gz DYXAPCLWBZSBHP-UHFFFAOYSA-N 1 2 346.475 1.987 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)nn1 ZINC000640847882 451634227 /nfs/dbraw/zinc/63/42/27/451634227.db2.gz PBZNFUJKIDDAAK-INIZCTEOSA-N 1 2 339.443 1.885 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](C)Cc2ccccc2C)nn1 ZINC000640983365 451720889 /nfs/dbraw/zinc/72/08/89/451720889.db2.gz PGJSCABESCJQOP-INIZCTEOSA-N 1 2 339.443 1.447 20 30 EDEDLO C=CCN(C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)[C@@H](C)COC ZINC000637412156 451840994 /nfs/dbraw/zinc/84/09/94/451840994.db2.gz DNMNLOYMMSBGSS-HNNXBMFYSA-N 1 2 349.479 2.553 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000649187221 451891891 /nfs/dbraw/zinc/89/18/91/451891891.db2.gz LVOOVALHPYQARH-WBVHZDCISA-N 1 2 347.434 1.227 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CCCN(c3nc(C)ns3)CC2)nn1 ZINC000653560412 452015300 /nfs/dbraw/zinc/01/53/00/452015300.db2.gz RKNHWFHAXDZORF-UHFFFAOYSA-N 1 2 333.465 1.726 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)nn1 ZINC000653560412 452015308 /nfs/dbraw/zinc/01/53/08/452015308.db2.gz RKNHWFHAXDZORF-UHFFFAOYSA-N 1 2 333.465 1.726 20 30 EDEDLO C=CCCn1cc(C[N@H+](C)CCn2cc(Br)cn2)nn1 ZINC000653678424 452073579 /nfs/dbraw/zinc/07/35/79/452073579.db2.gz IUDABMIYHOYOHS-UHFFFAOYSA-N 1 2 339.241 1.945 20 30 EDEDLO C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000647371271 452194325 /nfs/dbraw/zinc/19/43/25/452194325.db2.gz NQZPDYVUARYMKB-LSDHHAIUSA-N 1 2 335.452 1.125 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000652083676 452272453 /nfs/dbraw/zinc/27/24/53/452272453.db2.gz JHOJIHSNEMQSDK-KSSFIOAISA-N 1 2 335.448 1.386 20 30 EDEDLO C=CCOCCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000660449331 453319116 /nfs/dbraw/zinc/31/91/16/453319116.db2.gz YWBSQIBDXJMHBF-MRXNPFEDSA-N 1 2 343.493 1.086 20 30 EDEDLO C=CCC1(C(=O)N2CCO[C@@H](C[NH+]3CCN(C)CC3)C2)CCCC1 ZINC000648915912 453392740 /nfs/dbraw/zinc/39/27/40/453392740.db2.gz ADILERKLGUWJFU-KRWDZBQOSA-N 1 2 335.492 1.598 20 30 EDEDLO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661376990 453803099 /nfs/dbraw/zinc/80/30/99/453803099.db2.gz IUOSUSVNPLRREF-ZNMIVQPWSA-N 1 2 328.478 1.309 20 30 EDEDLO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661376990 453803100 /nfs/dbraw/zinc/80/31/00/453803100.db2.gz IUOSUSVNPLRREF-ZNMIVQPWSA-N 1 2 328.478 1.309 20 30 EDEDLO COCC#CC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000677818745 487174386 /nfs/dbraw/zinc/17/43/86/487174386.db2.gz VJINWYGWASSTNR-UHFFFAOYSA-N 1 2 336.819 1.513 20 30 EDEDLO C=CCN1CC[C@@H](N2CC[NH+](Cc3cc(C)ccc3OC)CC2)C1=O ZINC000685000892 487211650 /nfs/dbraw/zinc/21/16/50/487211650.db2.gz VMRCJEHXTLELHS-GOSISDBHSA-N 1 2 343.471 1.908 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3cc(C)ccc3OC)CC2)C1=O ZINC000685000892 487211654 /nfs/dbraw/zinc/21/16/54/487211654.db2.gz VMRCJEHXTLELHS-GOSISDBHSA-N 1 2 343.471 1.908 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678749830 487359934 /nfs/dbraw/zinc/35/99/34/487359934.db2.gz XXSCVUHBHNJTTD-OAHLLOKOSA-N 1 2 331.416 1.583 20 30 EDEDLO C=CCOCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000679475918 487430182 /nfs/dbraw/zinc/43/01/82/487430182.db2.gz GXAGNTHHFNTMDD-CQSZACIVSA-N 1 2 339.461 1.623 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000668829560 486238653 /nfs/dbraw/zinc/23/86/53/486238653.db2.gz OIXYDWHPRBCQCI-BZUAXINKSA-N 1 2 337.464 1.027 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000491565546 486587232 /nfs/dbraw/zinc/58/72/32/486587232.db2.gz AGUIAMDXLWDTMT-ZWKOTPCHSA-N 1 2 345.487 1.487 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000491565546 486587237 /nfs/dbraw/zinc/58/72/37/486587237.db2.gz AGUIAMDXLWDTMT-ZWKOTPCHSA-N 1 2 345.487 1.487 20 30 EDEDLO C=C(C)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000126562323 526609845 /nfs/dbraw/zinc/60/98/45/526609845.db2.gz NCIXMUVOYVVBNB-UHFFFAOYSA-N 1 2 344.459 1.455 20 30 EDEDLO C#CCSCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000153422714 527143376 /nfs/dbraw/zinc/14/33/76/527143376.db2.gz HLOGSUIRSLMNQZ-UHFFFAOYSA-N 1 2 347.484 1.684 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2[nH]c1=S ZINC000132463814 527334667 /nfs/dbraw/zinc/33/46/67/527334667.db2.gz VEHVSBBVFOUOOA-NSHDSACASA-N 1 2 330.413 1.044 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000101553308 527522316 /nfs/dbraw/zinc/52/23/16/527522316.db2.gz FBPQHJIDSQPJRN-OAHLLOKOSA-N 1 2 334.464 1.566 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000101553308 527522319 /nfs/dbraw/zinc/52/23/19/527522319.db2.gz FBPQHJIDSQPJRN-OAHLLOKOSA-N 1 2 334.464 1.566 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000166871190 528809594 /nfs/dbraw/zinc/80/95/94/528809594.db2.gz KKWKJBYKTPQCRE-UHFFFAOYSA-N 1 2 332.360 1.542 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000166871190 528809599 /nfs/dbraw/zinc/80/95/99/528809599.db2.gz KKWKJBYKTPQCRE-UHFFFAOYSA-N 1 2 332.360 1.542 20 30 EDEDLO N#Cc1ccc(-c2ccn(C[NH+]3CCN(c4cccnn4)CC3)n2)cc1 ZINC000725782373 578281440 /nfs/dbraw/zinc/28/14/40/578281440.db2.gz KKXMNLZWAOHTQV-UHFFFAOYSA-N 1 2 345.410 1.991 20 30 EDEDLO N#Cc1ccc(NCCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)nc1 ZINC000726705616 578355179 /nfs/dbraw/zinc/35/51/79/578355179.db2.gz PANVSIJIRYCGSE-UHFFFAOYSA-N 1 2 339.403 1.677 20 30 EDEDLO N#Cc1cccnc1NCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000726707884 578355396 /nfs/dbraw/zinc/35/53/96/578355396.db2.gz GWVYBNQRGZTWON-UHFFFAOYSA-N 1 2 339.403 1.677 20 30 EDEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC1(O)CCC1 ZINC000759876682 580017666 /nfs/dbraw/zinc/01/76/66/580017666.db2.gz MTODGUQLWCJYAD-ZDUSSCGKSA-N 1 2 340.383 1.358 20 30 EDEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC1(O)CCC1 ZINC000759876682 580017667 /nfs/dbraw/zinc/01/76/67/580017667.db2.gz MTODGUQLWCJYAD-ZDUSSCGKSA-N 1 2 340.383 1.358 20 30 EDEDLO C=CCNC(=O)[C@@H](C)OC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000729294755 578563238 /nfs/dbraw/zinc/56/32/38/578563238.db2.gz VUAILSZPESXXQU-PBHICJAKSA-N 1 2 346.427 1.418 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCC(=O)OC)cc1 ZINC000730281702 578639030 /nfs/dbraw/zinc/63/90/30/578639030.db2.gz SSDZZYVRLLPKGF-INIZCTEOSA-N 1 2 330.384 1.665 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCC(=O)OC)cc1 ZINC000730281702 578639032 /nfs/dbraw/zinc/63/90/32/578639032.db2.gz SSDZZYVRLLPKGF-INIZCTEOSA-N 1 2 330.384 1.665 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000739911673 579266852 /nfs/dbraw/zinc/26/68/52/579266852.db2.gz AFHLZIWZHYNBQG-DOTOQJQBSA-N 1 2 329.400 1.620 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000739911673 579266853 /nfs/dbraw/zinc/26/68/53/579266853.db2.gz AFHLZIWZHYNBQG-DOTOQJQBSA-N 1 2 329.400 1.620 20 30 EDEDLO C[C@@H]1CC(=NNS(=O)(=O)c2ccc(Br)cc2)C[N@@H+]1C ZINC000761793879 580061899 /nfs/dbraw/zinc/06/18/99/580061899.db2.gz ORHVTYNZVHMMSY-SECBINFHSA-N 1 2 346.250 1.807 20 30 EDEDLO C[C@@H]1CC(=NNS(=O)(=O)c2ccc(Br)cc2)C[N@H+]1C ZINC000761793879 580061900 /nfs/dbraw/zinc/06/19/00/580061900.db2.gz ORHVTYNZVHMMSY-SECBINFHSA-N 1 2 346.250 1.807 20 30 EDEDLO N#CCOc1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000777503629 580442827 /nfs/dbraw/zinc/44/28/27/580442827.db2.gz AZNZLPBKBTWKMH-AWEZNQCLSA-N 1 2 325.372 1.600 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC[C@H](C)CC)CC1 ZINC000752033099 579834736 /nfs/dbraw/zinc/83/47/36/579834736.db2.gz XXPJAZZTWQVBNV-QGZVFWFLSA-N 1 2 335.492 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC[C@H](C)CC)CC1 ZINC000752033099 579834738 /nfs/dbraw/zinc/83/47/38/579834738.db2.gz XXPJAZZTWQVBNV-QGZVFWFLSA-N 1 2 335.492 1.877 20 30 EDEDLO NC(=[NH+]O[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc2c(c1)CCO2 ZINC000753822020 579888604 /nfs/dbraw/zinc/88/86/04/579888604.db2.gz GHKPCGCEPZOAEL-MRXNPFEDSA-N 1 2 345.399 1.038 20 30 EDEDLO COc1cc(C(C)=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc([N+](=O)[O-])c1O ZINC000753929111 579891233 /nfs/dbraw/zinc/89/12/33/579891233.db2.gz OFUYMZWZECAPJP-VXGBXAGGSA-N 1 2 347.375 1.893 20 30 EDEDLO COCCCn1c(=O)c2ccccc2nc1NN=Cc1[nH+]c[nH]c1C ZINC000755605835 579930821 /nfs/dbraw/zinc/93/08/21/579930821.db2.gz ATVKFIFZKRNMNB-UHFFFAOYSA-N 1 2 340.387 1.911 20 30 EDEDLO Cc1cccc2[nH+]cc(CN=Nc3ccc(S(N)(=O)=O)cn3)n21 ZINC000755636121 579931505 /nfs/dbraw/zinc/93/15/05/579931505.db2.gz LCOLTMCXXFGLJS-UHFFFAOYSA-N 1 2 330.373 1.131 20 30 EDEDLO C[C@@H]1C[N@@H+](C2CC2)CC1=NNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000755892255 579937451 /nfs/dbraw/zinc/93/74/51/579937451.db2.gz RBAOOABBGRBABS-SNVBAGLBSA-N 1 2 338.389 1.343 20 30 EDEDLO C[C@@H]1C[N@H+](C2CC2)CC1=NNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000755892255 579937452 /nfs/dbraw/zinc/93/74/52/579937452.db2.gz RBAOOABBGRBABS-SNVBAGLBSA-N 1 2 338.389 1.343 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCCC[C@H]1CCO ZINC000756028532 579942131 /nfs/dbraw/zinc/94/21/31/579942131.db2.gz OMVLDLUMHOHSBR-AWEZNQCLSA-N 1 2 326.400 1.657 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCCC[C@H]1CCO ZINC000756028532 579942132 /nfs/dbraw/zinc/94/21/32/579942132.db2.gz OMVLDLUMHOHSBR-AWEZNQCLSA-N 1 2 326.400 1.657 20 30 EDEDLO C[N@H+](CCOCC1CC1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000756048185 579942458 /nfs/dbraw/zinc/94/24/58/579942458.db2.gz NTVMOUUNSVIZCY-UHFFFAOYSA-N 1 2 326.400 1.778 20 30 EDEDLO C[N@@H+](CCOCC1CC1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000756048185 579942459 /nfs/dbraw/zinc/94/24/59/579942459.db2.gz NTVMOUUNSVIZCY-UHFFFAOYSA-N 1 2 326.400 1.778 20 30 EDEDLO C(=NNc1ccc(-n2cc[nH+]c2)nn1)c1cnn(-c2ccccc2)n1 ZINC000761830333 580062343 /nfs/dbraw/zinc/06/23/43/580062343.db2.gz HAHVHTHMMKBUDO-UHFFFAOYSA-N 1 2 331.343 1.689 20 30 EDEDLO Cc1ncc(CO)c(C=NNc2ccc(-n3cc[nH+]c3)nn2)c1O ZINC000761857991 580062650 /nfs/dbraw/zinc/06/26/50/580062650.db2.gz PZEIHMFDGKHLLQ-UHFFFAOYSA-N 1 2 325.332 1.010 20 30 EDEDLO CCc1ccc2c(c1)C(=NNc1ccc(-n3cc[nH+]c3)nn1)C(=O)N2 ZINC000761860523 580062789 /nfs/dbraw/zinc/06/27/89/580062789.db2.gz KNZUINRVYWSYCY-UHFFFAOYSA-N 1 2 333.355 1.993 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2ncc(Br)s2)CC1 ZINC000765281096 580139234 /nfs/dbraw/zinc/13/92/34/580139234.db2.gz CSQBFQUALBICPJ-UHFFFAOYSA-N 1 2 328.235 1.687 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)c1=O)CCC2 ZINC000766631327 580170659 /nfs/dbraw/zinc/17/06/59/580170659.db2.gz FIBMGVHILSOAQF-HZPDHXFCSA-N 1 2 331.441 1.372 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCS[C@@H]4COCC[C@H]43)c1=O)CCC2 ZINC000766631327 580170660 /nfs/dbraw/zinc/17/06/60/580170660.db2.gz FIBMGVHILSOAQF-HZPDHXFCSA-N 1 2 331.441 1.372 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000769481979 580238215 /nfs/dbraw/zinc/23/82/15/580238215.db2.gz XEZFDCDSIKLEJG-XMMPIXPASA-N 1 2 349.500 1.865 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772051466 580301981 /nfs/dbraw/zinc/30/19/81/580301981.db2.gz TYTNISYPSKNVPL-ZIAGYGMSSA-N 1 2 326.462 1.556 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772051466 580301982 /nfs/dbraw/zinc/30/19/82/580301982.db2.gz TYTNISYPSKNVPL-ZIAGYGMSSA-N 1 2 326.462 1.556 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC000775789060 580400469 /nfs/dbraw/zinc/40/04/69/580400469.db2.gz BGKIZGCDPWSZHU-KBPBESRZSA-N 1 2 328.328 1.915 20 30 EDEDLO CC[C@]1(CO)CCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000778327206 580462240 /nfs/dbraw/zinc/46/22/40/580462240.db2.gz UDLRREDVZJNPMO-IBGZPJMESA-N 1 2 340.427 1.905 20 30 EDEDLO CC[C@]1(CO)CCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000778327206 580462241 /nfs/dbraw/zinc/46/22/41/580462241.db2.gz UDLRREDVZJNPMO-IBGZPJMESA-N 1 2 340.427 1.905 20 30 EDEDLO CC[C@@]1(O)CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000778400086 580464321 /nfs/dbraw/zinc/46/43/21/580464321.db2.gz VVKCLJNYORRDQF-FZKQIMNGSA-N 1 2 340.383 1.358 20 30 EDEDLO CC[C@@]1(O)CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000778400086 580464322 /nfs/dbraw/zinc/46/43/22/580464322.db2.gz VVKCLJNYORRDQF-FZKQIMNGSA-N 1 2 340.383 1.358 20 30 EDEDLO CC(C)COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000779392377 580484874 /nfs/dbraw/zinc/48/48/74/580484874.db2.gz MNHVFGVQCIHCIM-RBSFLKMASA-N 1 2 341.452 1.369 20 30 EDEDLO C#CCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000785600796 580648047 /nfs/dbraw/zinc/64/80/47/580648047.db2.gz JJQYVPUGGALBHL-OAHLLOKOSA-N 1 2 342.374 1.294 20 30 EDEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789379374 580743942 /nfs/dbraw/zinc/74/39/42/580743942.db2.gz OSJPDGZEPZNFBK-INIZCTEOSA-N 1 2 348.790 1.416 20 30 EDEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000789379374 580743943 /nfs/dbraw/zinc/74/39/43/580743943.db2.gz OSJPDGZEPZNFBK-INIZCTEOSA-N 1 2 348.790 1.416 20 30 EDEDLO C[N@H+](CCS(C)(=O)=O)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000789722266 580752140 /nfs/dbraw/zinc/75/21/40/580752140.db2.gz YNBRGXODBOWPIR-UHFFFAOYSA-N 1 2 347.444 1.335 20 30 EDEDLO C[N@@H+](CCS(C)(=O)=O)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000789722266 580752141 /nfs/dbraw/zinc/75/21/41/580752141.db2.gz YNBRGXODBOWPIR-UHFFFAOYSA-N 1 2 347.444 1.335 20 30 EDEDLO C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000790792348 580779006 /nfs/dbraw/zinc/77/90/06/580779006.db2.gz DYUKSPYDSJXETH-IUODEOHRSA-N 1 2 340.345 1.892 20 30 EDEDLO C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000790792348 580779007 /nfs/dbraw/zinc/77/90/07/580779007.db2.gz DYUKSPYDSJXETH-IUODEOHRSA-N 1 2 340.345 1.892 20 30 EDEDLO N#Cc1cccnc1NCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000793189139 580837860 /nfs/dbraw/zinc/83/78/60/580837860.db2.gz RWDQKOMGKSYREO-INIZCTEOSA-N 1 2 343.431 1.125 20 30 EDEDLO N#Cc1cccnc1NCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000793189139 580837861 /nfs/dbraw/zinc/83/78/61/580837861.db2.gz RWDQKOMGKSYREO-INIZCTEOSA-N 1 2 343.431 1.125 20 30 EDEDLO COCCCOCC[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793512582 580846592 /nfs/dbraw/zinc/84/65/92/580846592.db2.gz UDZPYMXRXXKCRO-UHFFFAOYSA-N 1 2 333.432 1.541 20 30 EDEDLO COCCCOCC[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793512582 580846593 /nfs/dbraw/zinc/84/65/93/580846593.db2.gz UDZPYMXRXXKCRO-UHFFFAOYSA-N 1 2 333.432 1.541 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cn1cc3c(c(C#N)c1=O)CCCC3)CCO2 ZINC000793515829 580846756 /nfs/dbraw/zinc/84/67/56/580846756.db2.gz LFMVSIJLBJJFGU-IFXJQAMLSA-N 1 2 343.427 1.436 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cn1cc3c(c(C#N)c1=O)CCCC3)CCO2 ZINC000793515829 580846757 /nfs/dbraw/zinc/84/67/57/580846757.db2.gz LFMVSIJLBJJFGU-IFXJQAMLSA-N 1 2 343.427 1.436 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000796379626 580952581 /nfs/dbraw/zinc/95/25/81/580952581.db2.gz UXVGLNOCDQLOPL-WBAXXEDZSA-N 1 2 343.427 1.567 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000796430765 580953725 /nfs/dbraw/zinc/95/37/25/580953725.db2.gz XAFIOAQVPWEGMX-AWEZNQCLSA-N 1 2 326.318 1.516 20 30 EDEDLO C[C@]1(C(N)=O)CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000796581452 580957274 /nfs/dbraw/zinc/95/72/74/580957274.db2.gz QGYFABQATWAHPL-DIFFPNOSSA-N 1 2 342.424 1.670 20 30 EDEDLO C[C@]1(C(N)=O)CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000796581452 580957275 /nfs/dbraw/zinc/95/72/75/580957275.db2.gz QGYFABQATWAHPL-DIFFPNOSSA-N 1 2 342.424 1.670 20 30 EDEDLO Cc1ccc(O)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 ZINC000798274521 580992774 /nfs/dbraw/zinc/99/27/74/580992774.db2.gz GEELNAWKRKPOET-TZMCWYRMSA-N 1 2 332.404 1.944 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000798354895 580995173 /nfs/dbraw/zinc/99/51/73/580995173.db2.gz QATFKKZFLQAADF-JKSUJKDBSA-N 1 2 326.400 1.583 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@@](C)(c3ccccn3)CC2=O)C1=O ZINC000799143660 581018738 /nfs/dbraw/zinc/01/87/38/581018738.db2.gz NKEFKPOKGLFROB-KXBFYZLASA-N 1 2 342.443 1.248 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@@](C)(c3ccccn3)CC2=O)C1=O ZINC000799143660 581018739 /nfs/dbraw/zinc/01/87/39/581018739.db2.gz NKEFKPOKGLFROB-KXBFYZLASA-N 1 2 342.443 1.248 20 30 EDEDLO CCOC(=O)c1c[nH+]c(NNC2=CC(=O)N3CCCC[C@@H]23)nc1C ZINC000799485218 581029117 /nfs/dbraw/zinc/02/91/17/581029117.db2.gz NBHVOAGXIKEZAE-ZDUSSCGKSA-N 1 2 331.376 1.514 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(SCC)c2)C1 ZINC000891606582 591147216 /nfs/dbraw/zinc/14/72/16/591147216.db2.gz MTPDGWMJTDXZSL-HNNXBMFYSA-N 1 2 345.468 1.951 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(SCC)c2)C1 ZINC000891606582 591147218 /nfs/dbraw/zinc/14/72/18/591147218.db2.gz MTPDGWMJTDXZSL-HNNXBMFYSA-N 1 2 345.468 1.951 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000891606914 591147638 /nfs/dbraw/zinc/14/76/38/591147638.db2.gz QMQXXSAJLRAGAM-AWEZNQCLSA-N 1 2 329.400 1.156 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000891606914 591147643 /nfs/dbraw/zinc/14/76/43/591147643.db2.gz QMQXXSAJLRAGAM-AWEZNQCLSA-N 1 2 329.400 1.156 20 30 EDEDLO CCc1nnc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000894004828 591166097 /nfs/dbraw/zinc/16/60/97/591166097.db2.gz AHKSNAFQNBRIPO-CQSZACIVSA-N 1 2 341.440 1.863 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000895849299 591287444 /nfs/dbraw/zinc/28/74/44/591287444.db2.gz XFYZQVVFPLVLCY-GOSISDBHSA-N 1 2 330.453 1.606 20 30 EDEDLO N#C[C@]12CN(c3cc[nH+]c4c(O)cccc34)C[C@@H]1CS(=O)(=O)C2 ZINC000896609108 591552240 /nfs/dbraw/zinc/55/22/40/591552240.db2.gz DZAWEFDPWQKJNU-BDJLRTHQSA-N 1 2 329.381 1.315 20 30 EDEDLO COc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1OC(F)F ZINC000895068428 591563142 /nfs/dbraw/zinc/56/31/42/591563142.db2.gz ZBSBKXPRQFGEDK-UHFFFAOYSA-N 1 2 339.342 1.854 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895080074 591571900 /nfs/dbraw/zinc/57/19/00/591571900.db2.gz ZUUGOKFQOZIHTQ-CQSZACIVSA-N 1 2 342.852 1.484 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895080074 591571903 /nfs/dbraw/zinc/57/19/03/591571903.db2.gz ZUUGOKFQOZIHTQ-CQSZACIVSA-N 1 2 342.852 1.484 20 30 EDEDLO CN(C)C(=O)COc1ccccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000897632138 591597461 /nfs/dbraw/zinc/59/74/61/591597461.db2.gz HTYHBVICFCAULG-UHFFFAOYSA-N 1 2 330.413 1.772 20 30 EDEDLO N#Cc1cc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)ccc1Cl ZINC000899060602 591665409 /nfs/dbraw/zinc/66/54/09/591665409.db2.gz UICZHQGNXJQLBT-UHFFFAOYSA-N 1 2 335.791 1.390 20 30 EDEDLO N#Cc1cc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)ccc1Cl ZINC000899060602 591665413 /nfs/dbraw/zinc/66/54/13/591665413.db2.gz UICZHQGNXJQLBT-UHFFFAOYSA-N 1 2 335.791 1.390 20 30 EDEDLO COC(=O)[C@H]1[C@@H](C[NH+]2CCN(c3ccsc3C#N)CC2)C1(F)F ZINC000895235886 591671605 /nfs/dbraw/zinc/67/16/05/591671605.db2.gz NKDPFXHGQWWGGU-ZWNOBZJWSA-N 1 2 341.383 1.796 20 30 EDEDLO COC(=O)[C@H]1[C@H](C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1(F)F ZINC000895374586 591734972 /nfs/dbraw/zinc/73/49/72/591734972.db2.gz RYGJVWXZCPVZPV-UONOGXRCSA-N 1 2 336.342 1.130 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/Cn3cncn3)CC2)cc1 ZINC000899967231 591847964 /nfs/dbraw/zinc/84/79/64/591847964.db2.gz CXGJHTNZRZCUBC-OWOJBTEDSA-N 1 2 336.399 1.050 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)[C@@H]2C[C@]2(c2ccccc2)C1=O ZINC000902320114 591968702 /nfs/dbraw/zinc/96/87/02/591968702.db2.gz WMLCMHAEWQJTKP-QFBILLFUSA-N 1 2 326.396 1.242 20 30 EDEDLO C[C@@H](NC(=O)C(F)(F)c1ccccc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000900592738 592062164 /nfs/dbraw/zinc/06/21/64/592062164.db2.gz LTKYGHMVPYVDNL-CHWSQXEVSA-N 1 2 337.370 1.875 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 ZINC000906675162 592255653 /nfs/dbraw/zinc/25/56/53/592255653.db2.gz RXRYHAUAHCVSQL-UHFFFAOYSA-N 1 2 345.355 1.147 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)CC1 ZINC000906784088 592333046 /nfs/dbraw/zinc/33/30/46/592333046.db2.gz VXNUJOVJGJPKKG-WVMMTEEDSA-N 1 2 337.489 1.229 20 30 EDEDLO COCOc1ccc(C#N)cc1-c1cccc([C@H]2[NH2+]CCNC2=O)c1 ZINC000904886041 592336655 /nfs/dbraw/zinc/33/66/55/592336655.db2.gz WWESUFLVZNKICX-GOSISDBHSA-N 1 2 337.379 1.968 20 30 EDEDLO COC(=O)c1cc2n(n1)CC/C(=C/c1ncc(C[NH+](C)C)s1)C2=O ZINC000901561815 592392253 /nfs/dbraw/zinc/39/22/53/592392253.db2.gz YOKLCMOVQYFAEI-POHAHGRESA-N 1 2 346.412 1.858 20 30 EDEDLO C[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCO1 ZINC000905739599 592633407 /nfs/dbraw/zinc/63/34/07/592633407.db2.gz PBKYPNOLBPMRLZ-FZKQIMNGSA-N 1 2 342.399 1.394 20 30 EDEDLO C[C@@H]1CC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCO1 ZINC000905739599 592633409 /nfs/dbraw/zinc/63/34/09/592633409.db2.gz PBKYPNOLBPMRLZ-FZKQIMNGSA-N 1 2 342.399 1.394 20 30 EDEDLO C=CC[C@@H]([NH2+][C@H]1CCN(c2cc(OC)cc(OC)c2)C1)C(=O)OC ZINC000905762817 592639378 /nfs/dbraw/zinc/63/93/78/592639378.db2.gz UTSHTFVKUZBMFS-SUMWQHHRSA-N 1 2 334.416 1.990 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)[C@H](C)CC#N ZINC000907584575 592722184 /nfs/dbraw/zinc/72/21/84/592722184.db2.gz WVSYXFNZQCHFGV-ABAIWWIYSA-N 1 2 325.372 1.192 20 30 EDEDLO Cn1ccc(-n2cc(C[NH+]3CCC(c4ccc(C#N)cn4)CC3)nn2)n1 ZINC000906317343 592779711 /nfs/dbraw/zinc/77/97/11/592779711.db2.gz NBSHSAJSJIVNGH-UHFFFAOYSA-N 1 2 348.414 1.647 20 30 EDEDLO C=C(C)Cn1c(C2CCOCC2)nnc1N1CCn2cc[nH+]c2C1 ZINC000909281416 592796414 /nfs/dbraw/zinc/79/64/14/592796414.db2.gz WJBBJLKNVPUAOL-UHFFFAOYSA-N 1 2 328.420 1.965 20 30 EDEDLO C=C(Br)CNC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000906426754 592821606 /nfs/dbraw/zinc/82/16/06/592821606.db2.gz UJDRJSZXJHRGFK-JTQLQIEISA-N 1 2 344.209 1.534 20 30 EDEDLO C=C(Br)CNC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000906426754 592821604 /nfs/dbraw/zinc/82/16/04/592821604.db2.gz UJDRJSZXJHRGFK-JTQLQIEISA-N 1 2 344.209 1.534 20 30 EDEDLO C=CCN(CC(F)(F)F)C(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000906447953 592823966 /nfs/dbraw/zinc/82/39/66/592823966.db2.gz PGSORGGDJRNWTQ-JTQLQIEISA-N 1 2 333.310 1.432 20 30 EDEDLO C=CCN(CC(F)(F)F)C(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000906447953 592823970 /nfs/dbraw/zinc/82/39/70/592823970.db2.gz PGSORGGDJRNWTQ-JTQLQIEISA-N 1 2 333.310 1.432 20 30 EDEDLO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccsc3C#N)CC2)cn1 ZINC000906586230 592851726 /nfs/dbraw/zinc/85/17/26/592851726.db2.gz DTTBNYDQGZHXGZ-UHFFFAOYSA-N 1 2 329.429 1.701 20 30 EDEDLO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccsc3C#N)CC2)cn1 ZINC000906586230 592851728 /nfs/dbraw/zinc/85/17/28/592851728.db2.gz DTTBNYDQGZHXGZ-UHFFFAOYSA-N 1 2 329.429 1.701 20 30 EDEDLO C#CCSCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000888310750 592999101 /nfs/dbraw/zinc/99/91/01/592999101.db2.gz OFVUJKRVWKFYFV-QGZVFWFLSA-N 1 2 332.469 1.851 20 30 EDEDLO N#Cc1cc(Nc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)ccn1 ZINC000911818984 593016323 /nfs/dbraw/zinc/01/63/23/593016323.db2.gz NXOCLTVJHPJAML-UHFFFAOYSA-N 1 2 348.410 1.572 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc2sc(=O)n(C)c2cc1C ZINC000912341123 593087454 /nfs/dbraw/zinc/08/74/54/593087454.db2.gz QVQOMDUJDDYOJO-ZDUSSCGKSA-N 1 2 329.425 1.945 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc2sc(=O)n(C)c2cc1C ZINC000912341123 593087455 /nfs/dbraw/zinc/08/74/55/593087455.db2.gz QVQOMDUJDDYOJO-ZDUSSCGKSA-N 1 2 329.425 1.945 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000838496568 593174271 /nfs/dbraw/zinc/17/42/71/593174271.db2.gz VOOHDTYYAYEKOH-GASCZTMLSA-N 1 2 332.379 1.360 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000838496568 593174273 /nfs/dbraw/zinc/17/42/73/593174273.db2.gz VOOHDTYYAYEKOH-GASCZTMLSA-N 1 2 332.379 1.360 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CCC(F)(F)C1 ZINC000797847321 593197121 /nfs/dbraw/zinc/19/71/21/593197121.db2.gz IHGURLGEMGFPJG-CQSZACIVSA-N 1 2 329.391 1.886 20 30 EDEDLO CC[C@@]1(C)CC(=O)N(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000808143434 593227123 /nfs/dbraw/zinc/22/71/23/593227123.db2.gz WOKFMSYPZDGZID-SFHVURJKSA-N 1 2 327.432 1.681 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1nc(N)nc(Nc2ccc(F)cc2)n1)[C@@H]1CCCO1 ZINC000839563354 593345417 /nfs/dbraw/zinc/34/54/17/593345417.db2.gz HWCHSLOSHSFLDB-KGLIPLIRSA-N 1 2 342.378 1.607 20 30 EDEDLO N#Cc1ccc(F)c(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000820176915 593797150 /nfs/dbraw/zinc/79/71/50/593797150.db2.gz RWYMEDMIRVFDRU-UHFFFAOYSA-N 1 2 340.358 1.859 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000824279630 593974642 /nfs/dbraw/zinc/97/46/42/593974642.db2.gz XNWSWDLGEIPBHD-GJZGRUSLSA-N 1 2 327.388 1.658 20 30 EDEDLO C=CCn1c(SCC[NH+]2CCOCC2)nnc1-c1ccncc1 ZINC000824973899 594108180 /nfs/dbraw/zinc/10/81/80/594108180.db2.gz OHFBNCTWEIFOAP-UHFFFAOYSA-N 1 2 331.445 1.950 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccccc2O[C@@H]2CCOC2)CC1 ZINC000825559935 594200683 /nfs/dbraw/zinc/20/06/83/594200683.db2.gz FHQRNIYTHWTWHE-QGZVFWFLSA-N 1 2 328.412 1.174 20 30 EDEDLO Cc1cc(-n2c(C)cc(C(=O)C[N@@H+]3CC[C@@](O)(CC#N)C3)c2C)no1 ZINC000829974742 594305047 /nfs/dbraw/zinc/30/50/47/594305047.db2.gz IZAWDBAWTHEGJK-SFHVURJKSA-N 1 2 342.399 1.924 20 30 EDEDLO Cc1cc(-n2c(C)cc(C(=O)C[N@H+]3CC[C@@](O)(CC#N)C3)c2C)no1 ZINC000829974742 594305050 /nfs/dbraw/zinc/30/50/50/594305050.db2.gz IZAWDBAWTHEGJK-SFHVURJKSA-N 1 2 342.399 1.924 20 30 EDEDLO C#CC1CC[NH+](Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)CC1 ZINC000830334067 594377336 /nfs/dbraw/zinc/37/73/36/594377336.db2.gz WHSPMKNWHFAPDG-UHFFFAOYSA-N 1 2 325.368 1.967 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@@H](C)C#N)c1-c1nn[nH]n1 ZINC000826332618 594430142 /nfs/dbraw/zinc/43/01/42/594430142.db2.gz ZPTYOYSHDIESFM-LBPRGKRZSA-N 1 2 336.403 1.952 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@@H](C)C#N)c1-c1nn[nH]n1 ZINC000826332618 594430144 /nfs/dbraw/zinc/43/01/44/594430144.db2.gz ZPTYOYSHDIESFM-LBPRGKRZSA-N 1 2 336.403 1.952 20 30 EDEDLO C#CCOCCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000121383014 594603092 /nfs/dbraw/zinc/60/30/92/594603092.db2.gz CVJFMUXMNGVAFF-GOSISDBHSA-N 1 2 330.428 1.524 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827435073 594671848 /nfs/dbraw/zinc/67/18/48/594671848.db2.gz ACHWIXPAVSJOOB-UHFFFAOYSA-N 1 2 325.456 1.449 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)c2[nH+]ccn2CC)c1 ZINC000836627759 594981677 /nfs/dbraw/zinc/98/16/77/594981677.db2.gz OZRPAOLWDITGCP-ZDUSSCGKSA-N 1 2 339.399 1.883 20 30 EDEDLO C[C@H](ON=C(N)C[NH+]1CCSCC1)C(=O)N(C)c1ccccc1 ZINC000121461772 594991755 /nfs/dbraw/zinc/99/17/55/594991755.db2.gz CWRZTPDESFLSCA-ZDUSSCGKSA-N 1 2 336.461 1.376 20 30 EDEDLO C#CC[C@H]1NC(=O)N([C@H](c2[nH+]ccn2C)c2ccccc2OC)C1=O ZINC000843304730 595068607 /nfs/dbraw/zinc/06/86/07/595068607.db2.gz AUHLRCMMXQEEPO-HIFRSBDPSA-N 1 2 338.367 1.462 20 30 EDEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(C3CC3)n(CCC(N)=O)c2=S)C1 ZINC000842630090 595150266 /nfs/dbraw/zinc/15/02/66/595150266.db2.gz XBVWMQDHXVESIV-CYBMUJFWSA-N 1 2 347.488 1.860 20 30 EDEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(C3CC3)n(CCC(N)=O)c2=S)C1 ZINC000842630090 595150267 /nfs/dbraw/zinc/15/02/67/595150267.db2.gz XBVWMQDHXVESIV-CYBMUJFWSA-N 1 2 347.488 1.860 20 30 EDEDLO N#Cc1ccc(NC(=O)CO[NH+]=C(N)COC[C@@H]2CCOC2)cc1 ZINC000842661485 595162918 /nfs/dbraw/zinc/16/29/18/595162918.db2.gz IOCVHMFMTJOMDN-CYBMUJFWSA-N 1 2 332.360 1.048 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844267272 595314187 /nfs/dbraw/zinc/31/41/87/595314187.db2.gz AQOWNGGLVOICFN-OAHLLOKOSA-N 1 2 327.388 1.058 20 30 EDEDLO COCC(CC(C)(C)C)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000844566857 595359867 /nfs/dbraw/zinc/35/98/67/595359867.db2.gz JSPBKXJTHWOWNV-UHFFFAOYSA-N 1 2 330.498 1.221 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)C1 ZINC000847361825 595403865 /nfs/dbraw/zinc/40/38/65/595403865.db2.gz MEANCDMTLXHZDP-LRYGQEGESA-N 1 2 349.475 1.311 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000845502491 595508178 /nfs/dbraw/zinc/50/81/78/595508178.db2.gz LPMJCAOJRMNFHN-IRXDYDNUSA-N 1 2 340.427 1.777 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860078023 595568054 /nfs/dbraw/zinc/56/80/54/595568054.db2.gz YIECZRNRHVGNDN-AWEZNQCLSA-N 1 2 342.447 1.422 20 30 EDEDLO N#Cc1ccc(NC(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)cc1 ZINC000860240924 595622529 /nfs/dbraw/zinc/62/25/29/595622529.db2.gz MLRNXUYFRMSCOD-DLBZAZTESA-N 1 2 349.394 1.941 20 30 EDEDLO C#CCN(CC(=O)N[C@H]1CCn2c[nH+]cc2C1)C(=O)OC(C)(C)C ZINC000857936331 595658137 /nfs/dbraw/zinc/65/81/37/595658137.db2.gz OKLDMDXVWONGRJ-ZDUSSCGKSA-N 1 2 332.404 1.184 20 30 EDEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857989251 595680070 /nfs/dbraw/zinc/68/00/70/595680070.db2.gz MPIVPKTXZFFWDR-OAHLLOKOSA-N 1 2 349.398 1.608 20 30 EDEDLO O=[N+]([O-])c1ccc(N2CCC(=NNCCCn3cc[nH+]c3)CC2)cn1 ZINC000853372728 595744837 /nfs/dbraw/zinc/74/48/37/595744837.db2.gz WTNVDNDTHJSWIK-UHFFFAOYSA-N 1 2 343.391 1.822 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000853620271 595835098 /nfs/dbraw/zinc/83/50/98/595835098.db2.gz XDSQONJSSABZOL-LJQANCHMSA-N 1 2 343.427 1.773 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000853620271 595835103 /nfs/dbraw/zinc/83/51/03/595835103.db2.gz XDSQONJSSABZOL-LJQANCHMSA-N 1 2 343.427 1.773 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@@](C)(c2ccccc2C)C1=O ZINC000853620878 595835115 /nfs/dbraw/zinc/83/51/15/595835115.db2.gz IERSYNGGDXLULG-IBGZPJMESA-N 1 2 343.427 1.691 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@@](C)(c2ccccc2C)C1=O ZINC000853620878 595835119 /nfs/dbraw/zinc/83/51/19/595835119.db2.gz IERSYNGGDXLULG-IBGZPJMESA-N 1 2 343.427 1.691 20 30 EDEDLO CO[C@H](CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C1CCC1 ZINC000853657261 595848061 /nfs/dbraw/zinc/84/80/61/595848061.db2.gz BSACNAJCENWXRW-GOSISDBHSA-N 1 2 347.459 1.971 20 30 EDEDLO CC(C)C#CC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000856078806 595889517 /nfs/dbraw/zinc/88/95/17/595889517.db2.gz ZOPKFSDXLBCWID-IBGZPJMESA-N 1 2 330.428 1.026 20 30 EDEDLO CC(C)C#CC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000856078806 595889519 /nfs/dbraw/zinc/88/95/19/595889519.db2.gz ZOPKFSDXLBCWID-IBGZPJMESA-N 1 2 330.428 1.026 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851822144 595935629 /nfs/dbraw/zinc/93/56/29/595935629.db2.gz IRQSPTIVHRWVOK-INIZCTEOSA-N 1 2 339.399 1.674 20 30 EDEDLO C#CCCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000852154015 596062965 /nfs/dbraw/zinc/06/29/65/596062965.db2.gz LPOGBIVZOKEALV-SFHVURJKSA-N 1 2 328.460 1.515 20 30 EDEDLO C#CCCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000852154015 596062968 /nfs/dbraw/zinc/06/29/68/596062968.db2.gz LPOGBIVZOKEALV-SFHVURJKSA-N 1 2 328.460 1.515 20 30 EDEDLO CCCCCCCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000859364973 596068182 /nfs/dbraw/zinc/06/81/82/596068182.db2.gz UITCCXWHQNYDDA-HNNXBMFYSA-N 1 2 327.469 1.252 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332666 596128754 /nfs/dbraw/zinc/12/87/54/596128754.db2.gz UUANOXKUVXFSDX-SFHVURJKSA-N 1 2 325.416 1.701 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332666 596128755 /nfs/dbraw/zinc/12/87/55/596128755.db2.gz UUANOXKUVXFSDX-SFHVURJKSA-N 1 2 325.416 1.701 20 30 EDEDLO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332218 596128828 /nfs/dbraw/zinc/12/88/28/596128828.db2.gz PIEXPJHEELIOJY-MRXNPFEDSA-N 1 2 336.461 1.268 20 30 EDEDLO CCS(=O)(=O)NCCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332218 596128831 /nfs/dbraw/zinc/12/88/31/596128831.db2.gz PIEXPJHEELIOJY-MRXNPFEDSA-N 1 2 336.461 1.268 20 30 EDEDLO C[C@H](O)[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(=O)OCc1ccccc1 ZINC000857241183 596195869 /nfs/dbraw/zinc/19/58/69/596195869.db2.gz SDDLVQLAHMHLGE-BPUTZDHNSA-N 1 2 334.416 1.370 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cn(C)nc2C(C)(C)C)CC1 ZINC000866598667 596265151 /nfs/dbraw/zinc/26/51/51/596265151.db2.gz LSTHQGYOZKLWNK-UHFFFAOYSA-N 1 2 338.477 1.047 20 30 EDEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4ccc(C#N)nc4)CC3)cnc12 ZINC000862421475 596325502 /nfs/dbraw/zinc/32/55/02/596325502.db2.gz VJBWNCOVYZHDDR-UHFFFAOYSA-N 1 2 344.382 1.190 20 30 EDEDLO CN(C)c1c(C=[NH+]N[C@@H]2CCCS(=O)(=O)C2)ccc(F)c1F ZINC000863131796 596506640 /nfs/dbraw/zinc/50/66/40/596506640.db2.gz BOEDDCGJQXRREC-LLVKDONJSA-N 1 2 331.388 1.532 20 30 EDEDLO N#CCC1(CS(=O)(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)CC1 ZINC000867761627 596536487 /nfs/dbraw/zinc/53/64/87/596536487.db2.gz WRYQOERLWRXHJQ-HNNXBMFYSA-N 1 2 346.456 1.890 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)o1 ZINC000863497577 596599698 /nfs/dbraw/zinc/59/96/98/596599698.db2.gz XPAYFLXPIMUDMF-HNNXBMFYSA-N 1 2 326.356 1.177 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)o1 ZINC000863497577 596599699 /nfs/dbraw/zinc/59/96/99/596599699.db2.gz XPAYFLXPIMUDMF-HNNXBMFYSA-N 1 2 326.356 1.177 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871543884 596622206 /nfs/dbraw/zinc/62/22/06/596622206.db2.gz WYWOFRUWFGNCSA-KRWDZBQOSA-N 1 2 326.437 1.236 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000867931870 596623057 /nfs/dbraw/zinc/62/30/57/596623057.db2.gz RSTNQTZOHZVRQD-ZDUSSCGKSA-N 1 2 326.400 1.832 20 30 EDEDLO C#CCn1cc(CNc2cc(CCC(=O)OCC)[nH+]c(C)n2)cn1 ZINC000865732757 596663257 /nfs/dbraw/zinc/66/32/57/596663257.db2.gz WKVBCOVYLDJBFF-UHFFFAOYSA-N 1 2 327.388 1.723 20 30 EDEDLO N#CCc1ccnc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000871720014 596677630 /nfs/dbraw/zinc/67/76/30/596677630.db2.gz AMAOMOXOWHKQLT-UHFFFAOYSA-N 1 2 336.399 1.892 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000865795750 596686859 /nfs/dbraw/zinc/68/68/59/596686859.db2.gz MMJYWYBZQHUDAE-CALCHBBNSA-N 1 2 341.455 1.691 20 30 EDEDLO C[C@@](C#N)(NC(=O)COC(=O)Cc1cn2cc(F)ccc2[nH+]1)C1CC1 ZINC000869972479 596694423 /nfs/dbraw/zinc/69/44/23/596694423.db2.gz JWHQVMAWIXJWHW-KRWDZBQOSA-N 1 2 344.346 1.368 20 30 EDEDLO C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(=O)OCC ZINC000870029287 596716633 /nfs/dbraw/zinc/71/66/33/596716633.db2.gz QOSCYJPMJHQCSU-VXGBXAGGSA-N 1 2 325.796 1.636 20 30 EDEDLO CCc1ccc(C#CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870059738 596729608 /nfs/dbraw/zinc/72/96/08/596729608.db2.gz LUOYPXKVQJMWEZ-LJQANCHMSA-N 1 2 342.439 1.160 20 30 EDEDLO C#CCC1(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000870062501 596730272 /nfs/dbraw/zinc/73/02/72/596730272.db2.gz NUQFQJFNWWKODA-QGZVFWFLSA-N 1 2 334.460 1.520 20 30 EDEDLO C=C[C@H](CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000870064722 596732087 /nfs/dbraw/zinc/73/20/87/596732087.db2.gz DKOBKKROHCGTOV-MJGOQNOKSA-N 1 2 344.455 1.906 20 30 EDEDLO N#Cc1ccc(CCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870071168 596734965 /nfs/dbraw/zinc/73/49/65/596734965.db2.gz AUQFAORTHARCJA-GOSISDBHSA-N 1 2 343.427 1.050 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NCCC[NH+](C)C)cc2[nH]c1=S ZINC000124850916 596944198 /nfs/dbraw/zinc/94/41/98/596944198.db2.gz YKFVKQZUYBDGOI-UHFFFAOYSA-N 1 2 346.456 1.553 20 30 EDEDLO Cc1cc(N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c(C#N)c[nH+]1 ZINC000872682650 597031761 /nfs/dbraw/zinc/03/17/61/597031761.db2.gz QMLWKRLSCNGXFS-PVAVHDDUSA-N 1 2 342.443 1.898 20 30 EDEDLO C#CC[C@H](COC)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000874996540 597236475 /nfs/dbraw/zinc/23/64/75/597236475.db2.gz DZNBNRICAJUHSN-MSOLQXFVSA-N 1 2 345.443 1.225 20 30 EDEDLO C#CC[C@H](COC)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000874996540 597236478 /nfs/dbraw/zinc/23/64/78/597236478.db2.gz DZNBNRICAJUHSN-MSOLQXFVSA-N 1 2 345.443 1.225 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)N(C)CCc2cccc(C#N)c2)CCO1 ZINC000875194413 597324116 /nfs/dbraw/zinc/32/41/16/597324116.db2.gz KOFWYFFQWWRRTN-OAHLLOKOSA-N 1 2 330.432 1.463 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N(C)CCc2cccc(C#N)c2)CCO1 ZINC000875194413 597324119 /nfs/dbraw/zinc/32/41/19/597324119.db2.gz KOFWYFFQWWRRTN-OAHLLOKOSA-N 1 2 330.432 1.463 20 30 EDEDLO CCCCCCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000875290646 597370256 /nfs/dbraw/zinc/37/02/56/597370256.db2.gz XMOXQSUCPNSNCK-HNNXBMFYSA-N 1 2 332.448 1.863 20 30 EDEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H](C)C#N)C2)cc1 ZINC000875475526 597444691 /nfs/dbraw/zinc/44/46/91/597444691.db2.gz CGCMKDGEVFQJHD-NVXWUHKLSA-N 1 2 330.432 1.655 20 30 EDEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H](C)C#N)C2)cc1 ZINC000875475526 597444693 /nfs/dbraw/zinc/44/46/93/597444693.db2.gz CGCMKDGEVFQJHD-NVXWUHKLSA-N 1 2 330.432 1.655 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)n1C ZINC000877645690 597544062 /nfs/dbraw/zinc/54/40/62/597544062.db2.gz SLYDVNRWFCDSEL-UHFFFAOYSA-N 1 2 339.399 1.401 20 30 EDEDLO C=CC[N@H+](C[C@@H]1CC2(CO1)CCOCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000878243037 597589300 /nfs/dbraw/zinc/58/93/00/597589300.db2.gz YOEFNLIKFZIQFF-CABCVRRESA-N 1 2 329.462 1.247 20 30 EDEDLO C=CC[N@@H+](C[C@@H]1CC2(CO1)CCOCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000878243037 597589301 /nfs/dbraw/zinc/58/93/01/597589301.db2.gz YOEFNLIKFZIQFF-CABCVRRESA-N 1 2 329.462 1.247 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879589506 597646681 /nfs/dbraw/zinc/64/66/81/597646681.db2.gz GTWLYQAATHXDRB-HNNXBMFYSA-N 1 2 332.423 1.540 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000878626499 597659543 /nfs/dbraw/zinc/65/95/43/597659543.db2.gz CZHNXPJSPJJHAT-YOEHRIQHSA-N 1 2 331.416 1.586 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880311864 597899325 /nfs/dbraw/zinc/89/93/25/597899325.db2.gz OZPIADTXEQFFQX-BBWFWOEESA-N 1 2 327.384 1.182 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880311864 597899326 /nfs/dbraw/zinc/89/93/26/597899326.db2.gz OZPIADTXEQFFQX-BBWFWOEESA-N 1 2 327.384 1.182 20 30 EDEDLO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CCC1(F)F ZINC000879371858 597903469 /nfs/dbraw/zinc/90/34/69/597903469.db2.gz VBAHDGBPABHUFW-VXGBXAGGSA-N 1 2 331.363 1.267 20 30 EDEDLO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CCC1(F)F ZINC000879371858 597903470 /nfs/dbraw/zinc/90/34/70/597903470.db2.gz VBAHDGBPABHUFW-VXGBXAGGSA-N 1 2 331.363 1.267 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000884053931 597979792 /nfs/dbraw/zinc/97/97/92/597979792.db2.gz LNHMRZRSTMRFME-AWEZNQCLSA-N 1 2 340.807 1.624 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCOc1ccc2ccccc2c1 ZINC000884061623 597983303 /nfs/dbraw/zinc/98/33/03/597983303.db2.gz NOZGQYOGIZEOFP-KRWDZBQOSA-N 1 2 342.395 1.781 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880714971 597998601 /nfs/dbraw/zinc/99/86/01/597998601.db2.gz GGMGPQXWEGBRAN-NSHDSACASA-N 1 2 337.374 1.594 20 30 EDEDLO COc1ccc(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1C#N ZINC000880875879 598023399 /nfs/dbraw/zinc/02/33/99/598023399.db2.gz HNOPJVQEFWSZBL-STQMWFEESA-N 1 2 332.404 1.798 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000884414804 598098019 /nfs/dbraw/zinc/09/80/19/598098019.db2.gz BJQXJHIVZIIRME-QWHCGFSZSA-N 1 2 340.326 1.858 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000884421961 598100581 /nfs/dbraw/zinc/10/05/81/598100581.db2.gz ISELSVPKLNPZTJ-WFASDCNBSA-N 1 2 332.400 1.635 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@]1(c2ccccc2)CC1(C)C ZINC000884423351 598100987 /nfs/dbraw/zinc/10/09/87/598100987.db2.gz UEKMHIBUBYWJSF-KXBFYZLASA-N 1 2 330.428 1.917 20 30 EDEDLO C=CCC1(O)CC[NH+](CN2C(=O)C(C)(C)[C@@H]2c2cnn(C)c2)CC1 ZINC000884479556 598116968 /nfs/dbraw/zinc/11/69/68/598116968.db2.gz LEKZTHKECXYLPD-HNNXBMFYSA-N 1 2 332.448 1.690 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC(C)(C)Cc1ccc(C#N)cc1 ZINC000914082876 695080640 /nfs/dbraw/zinc/08/06/40/695080640.db2.gz LMUDDXZFVXMGKB-OAHLLOKOSA-N 1 2 344.459 1.899 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)c2ccnn2CCOC)C1 ZINC001046404653 695174139 /nfs/dbraw/zinc/17/41/39/695174139.db2.gz FNTAXHHDXHCJCZ-OAHLLOKOSA-N 1 2 326.828 1.476 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccnn2CCOC)C1 ZINC001046404653 695174140 /nfs/dbraw/zinc/17/41/40/695174140.db2.gz FNTAXHHDXHCJCZ-OAHLLOKOSA-N 1 2 326.828 1.476 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060462496 695230841 /nfs/dbraw/zinc/23/08/41/695230841.db2.gz DKMKSGHJVRXOQM-KSSFIOAISA-N 1 2 332.448 1.909 20 30 EDEDLO C=C(Br)CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000914418878 695395032 /nfs/dbraw/zinc/39/50/32/695395032.db2.gz ZKCKHNQBEKZULI-UHFFFAOYSA-N 1 2 333.255 1.913 20 30 EDEDLO N#Cc1ccc(NCCNc2nc(NCCO)c3ccccc3[nH+]2)nc1 ZINC000915213730 695762813 /nfs/dbraw/zinc/76/28/13/695762813.db2.gz KPZUIXQJLROJKV-UHFFFAOYSA-N 1 2 349.398 1.825 20 30 EDEDLO Cc1nnsc1C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000993204969 695794287 /nfs/dbraw/zinc/79/42/87/695794287.db2.gz RQSNUHLNZBUOBE-BXUZGUMPSA-N 1 2 344.444 1.829 20 30 EDEDLO Cc1nnsc1C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000993204969 695794289 /nfs/dbraw/zinc/79/42/89/695794289.db2.gz RQSNUHLNZBUOBE-BXUZGUMPSA-N 1 2 344.444 1.829 20 30 EDEDLO COc1c(C)c[nH+]c(CNC(=O)N2C[C@@H](C)N(CC#N)[C@H](C)C2)c1C ZINC000915488286 695842378 /nfs/dbraw/zinc/84/23/78/695842378.db2.gz QFRSRKUWACYUEZ-ZIAGYGMSSA-N 1 2 345.447 1.835 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993299517 695922125 /nfs/dbraw/zinc/92/21/25/695922125.db2.gz NPGPPJPXTHUFFB-SMDDNHRTSA-N 1 2 344.444 1.531 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993299517 695922126 /nfs/dbraw/zinc/92/21/26/695922126.db2.gz NPGPPJPXTHUFFB-SMDDNHRTSA-N 1 2 344.444 1.531 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993368918 696016909 /nfs/dbraw/zinc/01/69/09/696016909.db2.gz ICYOIZRABOKPIO-LZQZEXGQSA-N 1 2 344.459 1.792 20 30 EDEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001031276275 696103867 /nfs/dbraw/zinc/10/38/67/696103867.db2.gz SXPQFELSRPMQMU-HIFRSBDPSA-N 1 2 329.400 1.075 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc3n2CCOC3)[C@@H]1C ZINC000993442491 696141882 /nfs/dbraw/zinc/14/18/82/696141882.db2.gz CAKCKQAQLTUJFO-STQMWFEESA-N 1 2 338.839 1.749 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc3n2CCOC3)[C@@H]1C ZINC000993442491 696141884 /nfs/dbraw/zinc/14/18/84/696141884.db2.gz CAKCKQAQLTUJFO-STQMWFEESA-N 1 2 338.839 1.749 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000993549932 696236632 /nfs/dbraw/zinc/23/66/32/696236632.db2.gz QGSGTCKZDQUYEE-OAHLLOKOSA-N 1 2 345.447 1.329 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000993549932 696236633 /nfs/dbraw/zinc/23/66/33/696236633.db2.gz QGSGTCKZDQUYEE-OAHLLOKOSA-N 1 2 345.447 1.329 20 30 EDEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@H]1C ZINC000993929309 696448527 /nfs/dbraw/zinc/44/85/27/696448527.db2.gz OWZZZVDHFRNWNH-CHWSQXEVSA-N 1 2 338.429 1.289 20 30 EDEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@H]1C ZINC000993929309 696448528 /nfs/dbraw/zinc/44/85/28/696448528.db2.gz OWZZZVDHFRNWNH-CHWSQXEVSA-N 1 2 338.429 1.289 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccn(C)n3)[C@H]2C)nc1 ZINC000994252615 696649336 /nfs/dbraw/zinc/64/93/36/696649336.db2.gz MHCQFWKXDIUAHM-WMLDXEAASA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccn(C)n3)[C@H]2C)nc1 ZINC000994252615 696649337 /nfs/dbraw/zinc/64/93/37/696649337.db2.gz MHCQFWKXDIUAHM-WMLDXEAASA-N 1 2 337.427 1.579 20 30 EDEDLO CC(C)(C)OCCON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181843335 700100697 /nfs/dbraw/zinc/10/06/97/700100697.db2.gz UQCPATWPFABHQC-MRXNPFEDSA-N 1 2 335.448 1.991 20 30 EDEDLO CC(C)(C)OCCON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181843335 700100699 /nfs/dbraw/zinc/10/06/99/700100699.db2.gz UQCPATWPFABHQC-MRXNPFEDSA-N 1 2 335.448 1.991 20 30 EDEDLO Cc1ncncc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031555847 697240459 /nfs/dbraw/zinc/24/04/59/697240459.db2.gz XVQWASGAGRAPDD-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)C1=CCOCC1 ZINC001031627275 697364552 /nfs/dbraw/zinc/36/45/52/697364552.db2.gz IPEMBNBVNSNPEB-UHFFFAOYSA-N 1 2 328.387 1.572 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)C3CCC(O)CC3)C2)c1 ZINC001031640644 697390992 /nfs/dbraw/zinc/39/09/92/697390992.db2.gz XIUGPHBCMBMMSC-UHFFFAOYSA-N 1 2 345.418 1.796 20 30 EDEDLO C=C1CC(C)(C(=O)N2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000943343778 698123190 /nfs/dbraw/zinc/12/31/90/698123190.db2.gz YFWIITAUEQJGLL-OAHLLOKOSA-N 1 2 330.432 1.737 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000938695460 698514293 /nfs/dbraw/zinc/51/42/93/698514293.db2.gz UTMYJHZNKZEOLT-HNNXBMFYSA-N 1 2 343.427 1.706 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)C1 ZINC000941476031 701551698 /nfs/dbraw/zinc/55/16/98/701551698.db2.gz HMRDDFYONBZLHB-UHFFFAOYSA-N 1 2 348.450 1.553 20 30 EDEDLO C=C1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(COC)no3)C2)CC1 ZINC000939051166 699109904 /nfs/dbraw/zinc/10/99/04/699109904.db2.gz WXXCOVBCCDKNHW-UKRRQHHQSA-N 1 2 348.447 1.899 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CCN(C2CN(Cc3c[nH+]cn3C)C2)CC1 ZINC000941546752 701576326 /nfs/dbraw/zinc/57/63/26/701576326.db2.gz AYIAVORUFYCONS-LJQANCHMSA-N 1 2 345.491 1.351 20 30 EDEDLO C[C@H]1COCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031959929 701583066 /nfs/dbraw/zinc/58/30/66/701583066.db2.gz HESJISQQBIYCDM-SUMWQHHRSA-N 1 2 345.418 1.918 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)c3cccc(F)c3)CC2)C1 ZINC000941559987 701583155 /nfs/dbraw/zinc/58/31/55/701583155.db2.gz RLZFEGUOPAZPOZ-MRXNPFEDSA-N 1 2 343.446 1.781 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3ccsc3)CC2)C1 ZINC000941565395 701584728 /nfs/dbraw/zinc/58/47/28/701584728.db2.gz YUBUZLUCIRGUNL-HNNXBMFYSA-N 1 2 331.485 1.703 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)c(F)c3F)CC2)C1 ZINC000941578940 701588168 /nfs/dbraw/zinc/58/81/68/701588168.db2.gz XUSHSPTYSJMCTQ-UHFFFAOYSA-N 1 2 333.382 1.348 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)cccc3C)CC2)C1 ZINC000941580107 701588587 /nfs/dbraw/zinc/58/85/87/701588587.db2.gz PRDKYWIWIIKCFR-UHFFFAOYSA-N 1 2 325.456 1.769 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(C)c3Cl)CC2)C1 ZINC000941609677 701595583 /nfs/dbraw/zinc/59/55/83/701595583.db2.gz PFFVBFVIQUAHLN-UHFFFAOYSA-N 1 2 331.847 1.724 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc3c(c2)N(C)C(=O)C3)C1 ZINC001031818759 699547200 /nfs/dbraw/zinc/54/72/00/699547200.db2.gz JOUOCPLEQBDDDP-UHFFFAOYSA-N 1 2 333.819 1.620 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ncoc3C(C)(C)C)CC2)C1 ZINC000941630249 701600070 /nfs/dbraw/zinc/60/00/70/701600070.db2.gz KFTWIGODXITMCK-UHFFFAOYSA-N 1 2 344.459 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCN(C3C[NH+](C[C@H](F)CC)C3)CC2)nc1 ZINC000941641462 701608672 /nfs/dbraw/zinc/60/86/72/701608672.db2.gz BSUZLKHNAKPANM-MRXNPFEDSA-N 1 2 344.434 1.253 20 30 EDEDLO C=C1CC(C)(C(=O)N2CCCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000941671793 701613638 /nfs/dbraw/zinc/61/36/38/701613638.db2.gz YWGWDKPRGBZLEB-UHFFFAOYSA-N 1 2 330.432 1.380 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](CC)c3ccc(F)cc3)CC2)C1 ZINC000941679236 701616736 /nfs/dbraw/zinc/61/67/36/701616736.db2.gz WEBKCUDUSVYEOP-LJQANCHMSA-N 1 2 343.446 1.781 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3ccncc3Cl)C2)c1 ZINC001031965754 701623352 /nfs/dbraw/zinc/62/33/52/701623352.db2.gz SVLFEDWHUWGFBH-UHFFFAOYSA-N 1 2 340.814 1.973 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4n(c3)CCCC4)CC2)C1 ZINC000941698290 701641323 /nfs/dbraw/zinc/64/13/23/701641323.db2.gz RKCQIAIXHDSESJ-UHFFFAOYSA-N 1 2 340.471 1.290 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)o1 ZINC000940656491 700818905 /nfs/dbraw/zinc/81/89/05/700818905.db2.gz CDPFQRHYQTXQON-AWEZNQCLSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)o1 ZINC000940656491 700818907 /nfs/dbraw/zinc/81/89/07/700818907.db2.gz CDPFQRHYQTXQON-AWEZNQCLSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1ncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)n1C ZINC001031924886 701103805 /nfs/dbraw/zinc/10/38/05/701103805.db2.gz UKVANBBWHDVZEL-UHFFFAOYSA-N 1 2 329.429 1.524 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)nc1 ZINC000941168515 701379366 /nfs/dbraw/zinc/37/93/66/701379366.db2.gz DXNDSVMPEJIHLB-QGZVFWFLSA-N 1 2 349.438 1.883 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)nc1 ZINC000941168515 701379367 /nfs/dbraw/zinc/37/93/67/701379367.db2.gz DXNDSVMPEJIHLB-QGZVFWFLSA-N 1 2 349.438 1.883 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC4(CC4)C3)CC2)C1 ZINC000941410441 701518481 /nfs/dbraw/zinc/51/84/81/701518481.db2.gz HWVXUJVJSRBBPG-QGZVFWFLSA-N 1 2 329.488 1.809 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3-c3cn[nH]c3)CC2)C1 ZINC000941431234 701537954 /nfs/dbraw/zinc/53/79/54/701537954.db2.gz LCRLUOZLLOGFMJ-UHFFFAOYSA-N 1 2 349.438 1.152 20 30 EDEDLO O=C(C#CC1CC1)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000944009567 701856846 /nfs/dbraw/zinc/85/68/46/701856846.db2.gz GQEGATNCCLICOT-RBSFLKMASA-N 1 2 326.400 1.034 20 30 EDEDLO O=C(C#CC1CC1)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000944009567 701856851 /nfs/dbraw/zinc/85/68/51/701856851.db2.gz GQEGATNCCLICOT-RBSFLKMASA-N 1 2 326.400 1.034 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cscn2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941930580 702159940 /nfs/dbraw/zinc/15/99/40/702159940.db2.gz SYMBJEKNBRBSLI-SMDDNHRTSA-N 1 2 329.429 1.983 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cscn2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941930580 702159942 /nfs/dbraw/zinc/15/99/42/702159942.db2.gz SYMBJEKNBRBSLI-SMDDNHRTSA-N 1 2 329.429 1.983 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnc(C)cn2)C1 ZINC001031988431 702428688 /nfs/dbraw/zinc/42/86/88/702428688.db2.gz WXPICDUYDLTYCU-UNEWFSDZSA-N 1 2 330.432 1.485 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ncnn2C)C[C@@H]1C ZINC000942129708 702633164 /nfs/dbraw/zinc/63/31/64/702633164.db2.gz KXNJIAQUKYAFKE-GJZGRUSLSA-N 1 2 342.447 1.443 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2ncnn2C)C[C@@H]1C ZINC000942129708 702633166 /nfs/dbraw/zinc/63/31/66/702633166.db2.gz KXNJIAQUKYAFKE-GJZGRUSLSA-N 1 2 342.447 1.443 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ocnc1C ZINC001032677945 706697762 /nfs/dbraw/zinc/69/77/62/706697762.db2.gz XSVBWVQTEPRPRP-JKQORVJESA-N 1 2 331.416 1.749 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ocnc1C ZINC001032677945 706697763 /nfs/dbraw/zinc/69/77/63/706697763.db2.gz XSVBWVQTEPRPRP-JKQORVJESA-N 1 2 331.416 1.749 20 30 EDEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3ccc(F)c(F)c3)C2)nn1 ZINC001032035133 703109610 /nfs/dbraw/zinc/10/96/10/703109610.db2.gz OGGHFHDQAFAZNE-UHFFFAOYSA-N 1 2 347.369 1.604 20 30 EDEDLO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3cc(C)no3)C2)nn1 ZINC001032041572 703179463 /nfs/dbraw/zinc/17/94/63/703179463.db2.gz RVACZNRSGXPVAA-UHFFFAOYSA-N 1 2 330.392 1.012 20 30 EDEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001060775302 703185329 /nfs/dbraw/zinc/18/53/29/703185329.db2.gz DKLPCMSTYOVNCN-RBSFLKMASA-N 1 2 345.447 1.304 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N[C@H](C)C3CCN(CC#N)CC3)ccn12 ZINC000997085927 703331452 /nfs/dbraw/zinc/33/14/52/703331452.db2.gz ROMAPQDNROGHNE-CQSZACIVSA-N 1 2 325.416 1.997 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC2(O)CCC2)s1 ZINC001032396343 703399884 /nfs/dbraw/zinc/39/98/84/703399884.db2.gz QSTNBBVHJGINDB-STQMWFEESA-N 1 2 331.441 1.710 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC2(O)CCC2)s1 ZINC001032396343 703399886 /nfs/dbraw/zinc/39/98/86/703399886.db2.gz QSTNBBVHJGINDB-STQMWFEESA-N 1 2 331.441 1.710 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001032401153 703415604 /nfs/dbraw/zinc/41/56/04/703415604.db2.gz IDAWJMWOWGLWCI-XIRDDKMYSA-N 1 2 328.387 1.685 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC001032401153 703415605 /nfs/dbraw/zinc/41/56/05/703415605.db2.gz IDAWJMWOWGLWCI-XIRDDKMYSA-N 1 2 328.387 1.685 20 30 EDEDLO N#Cc1cnc(NC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)c(F)c1 ZINC001060863188 703768447 /nfs/dbraw/zinc/76/84/47/703768447.db2.gz GJZHGYOGMKQTLZ-LBPRGKRZSA-N 1 2 342.378 1.709 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2n[nH]c3c2CCC3)cc1 ZINC001032493845 703777410 /nfs/dbraw/zinc/77/74/10/703777410.db2.gz PGWMAFADHMLPPS-HOTGVXAUSA-N 1 2 347.422 1.869 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2n[nH]c3c2CCC3)cc1 ZINC001032493845 703777411 /nfs/dbraw/zinc/77/74/11/703777411.db2.gz PGWMAFADHMLPPS-HOTGVXAUSA-N 1 2 347.422 1.869 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2n[nH]c3c2CCC3)c1 ZINC001032493931 703779389 /nfs/dbraw/zinc/77/93/89/703779389.db2.gz TYKXQLFLGUBVFB-HOTGVXAUSA-N 1 2 347.422 1.869 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2n[nH]c3c2CCC3)c1 ZINC001032493931 703779390 /nfs/dbraw/zinc/77/93/90/703779390.db2.gz TYKXQLFLGUBVFB-HOTGVXAUSA-N 1 2 347.422 1.869 20 30 EDEDLO Cc1cc(C)c(C(=O)NC2CN(C(=O)c3c[nH]c(C#N)c3)C2)c(C)[nH+]1 ZINC000997557543 703830096 /nfs/dbraw/zinc/83/00/96/703830096.db2.gz RBUPZJHFHUKYEP-UHFFFAOYSA-N 1 2 337.383 1.461 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2nnc(C(F)F)s2)C(C)(C)C1 ZINC000995580286 704050738 /nfs/dbraw/zinc/05/07/38/704050738.db2.gz KPQKRMLODWWMAM-BDAKNGLRSA-N 1 2 343.403 1.962 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000998124579 705386593 /nfs/dbraw/zinc/38/65/93/705386593.db2.gz FTFZGXDECGSPRH-ZACQAIPSSA-N 1 2 348.447 1.864 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000998124579 705386597 /nfs/dbraw/zinc/38/65/97/705386597.db2.gz FTFZGXDECGSPRH-ZACQAIPSSA-N 1 2 348.447 1.864 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NCC#N)C1 ZINC000998308052 705720309 /nfs/dbraw/zinc/72/03/09/705720309.db2.gz XQBKBBKVTUGSTP-STQMWFEESA-N 1 2 343.353 1.245 20 30 EDEDLO C=C1CCC(C(=O)NC2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC000999094082 706512150 /nfs/dbraw/zinc/51/21/50/706512150.db2.gz YRESEXNYTPWVDJ-UHFFFAOYSA-N 1 2 330.432 1.761 20 30 EDEDLO COc1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)cn1 ZINC001032712643 706832097 /nfs/dbraw/zinc/83/20/97/706832097.db2.gz GNPXJSGIXCEJLH-IRXDYDNUSA-N 1 2 349.394 1.456 20 30 EDEDLO COc1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)cn1 ZINC001032712643 706832100 /nfs/dbraw/zinc/83/21/00/706832100.db2.gz GNPXJSGIXCEJLH-IRXDYDNUSA-N 1 2 349.394 1.456 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2noc(C(C)C)n2)C1 ZINC000999429268 706936668 /nfs/dbraw/zinc/93/66/68/706936668.db2.gz YHIODIKHPMAYRG-CVSAEHQPSA-N 1 2 348.447 1.863 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001033295970 707405286 /nfs/dbraw/zinc/40/52/86/707405286.db2.gz YHYVZFILHILAMF-ZIAGYGMSSA-N 1 2 337.855 1.434 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001033295970 707405288 /nfs/dbraw/zinc/40/52/88/707405288.db2.gz YHYVZFILHILAMF-ZIAGYGMSSA-N 1 2 337.855 1.434 20 30 EDEDLO Cc1n[nH]nc1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033317975 707505963 /nfs/dbraw/zinc/50/59/63/707505963.db2.gz IOMKECWHJBGILY-AWEZNQCLSA-N 1 2 342.378 1.470 20 30 EDEDLO Cc1n[nH]nc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033317975 707505965 /nfs/dbraw/zinc/50/59/65/707505965.db2.gz IOMKECWHJBGILY-AWEZNQCLSA-N 1 2 342.378 1.470 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nnn(CC)c2CC)C1 ZINC001033410837 707775203 /nfs/dbraw/zinc/77/52/03/707775203.db2.gz TVNGBTZOTRENKG-LBPRGKRZSA-N 1 2 325.844 1.759 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(CC)c2CC)C1 ZINC001033410837 707775205 /nfs/dbraw/zinc/77/52/05/707775205.db2.gz TVNGBTZOTRENKG-LBPRGKRZSA-N 1 2 325.844 1.759 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnc(C)cn3)C2)c1 ZINC001033404964 707814309 /nfs/dbraw/zinc/81/43/09/707814309.db2.gz GZXOLMQLWYFNGS-GOSISDBHSA-N 1 2 335.411 1.508 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)c1 ZINC001033404964 707814313 /nfs/dbraw/zinc/81/43/13/707814313.db2.gz GZXOLMQLWYFNGS-GOSISDBHSA-N 1 2 335.411 1.508 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnc(C)nc3)C2)c1 ZINC001033405249 707814966 /nfs/dbraw/zinc/81/49/66/707814966.db2.gz JLVIZJXHRGODLM-GOSISDBHSA-N 1 2 335.411 1.508 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)c1 ZINC001033405249 707814971 /nfs/dbraw/zinc/81/49/71/707814971.db2.gz JLVIZJXHRGODLM-GOSISDBHSA-N 1 2 335.411 1.508 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001033440694 707870173 /nfs/dbraw/zinc/87/01/73/707870173.db2.gz STZGMUXSJGWUME-SYQHCUMBSA-N 1 2 343.265 1.995 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001033440694 707870174 /nfs/dbraw/zinc/87/01/74/707870174.db2.gz STZGMUXSJGWUME-SYQHCUMBSA-N 1 2 343.265 1.995 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(C)nn(C)c2OC)C1 ZINC001033464048 707918672 /nfs/dbraw/zinc/91/86/72/707918672.db2.gz DOWNUDLVIYDJJL-LBPRGKRZSA-N 1 2 326.828 1.636 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)nn(C)c2OC)C1 ZINC001033464048 707918674 /nfs/dbraw/zinc/91/86/74/707918674.db2.gz DOWNUDLVIYDJJL-LBPRGKRZSA-N 1 2 326.828 1.636 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)nc(OC)c2)C1 ZINC001033235891 707926063 /nfs/dbraw/zinc/92/60/63/707926063.db2.gz XUKOFZUTDMCFPA-CYBMUJFWSA-N 1 2 339.823 1.998 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)nc(OC)c2)C1 ZINC001033235891 707926067 /nfs/dbraw/zinc/92/60/67/707926067.db2.gz XUKOFZUTDMCFPA-CYBMUJFWSA-N 1 2 339.823 1.998 20 30 EDEDLO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033506440 707976461 /nfs/dbraw/zinc/97/64/61/707976461.db2.gz YZRSVRITNCQLIG-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033506440 707976464 /nfs/dbraw/zinc/97/64/64/707976464.db2.gz YZRSVRITNCQLIG-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO N#Cc1cncc(NC[C@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)n1 ZINC001060944310 708010429 /nfs/dbraw/zinc/01/04/29/708010429.db2.gz INNCCRICPBWWIH-CYBMUJFWSA-N 1 2 347.382 1.570 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001016227082 708070861 /nfs/dbraw/zinc/07/08/61/708070861.db2.gz UPWUGRMNZHORRL-ZIAGYGMSSA-N 1 2 339.867 1.721 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001016227082 708070863 /nfs/dbraw/zinc/07/08/63/708070863.db2.gz UPWUGRMNZHORRL-ZIAGYGMSSA-N 1 2 339.867 1.721 20 30 EDEDLO N#Cc1cnc(NC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c(Cl)c1 ZINC001060998525 708133346 /nfs/dbraw/zinc/13/33/46/708133346.db2.gz XNMRUSUSFYPBOT-NSHDSACASA-N 1 2 344.806 1.833 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CNc2ccc(C#N)nc2)C1 ZINC001061005079 708152824 /nfs/dbraw/zinc/15/28/24/708152824.db2.gz ZCDNSQYOWYJWRC-KBPBESRZSA-N 1 2 338.415 1.816 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CNc2ccc(C#N)nc2)C1 ZINC001061005079 708152827 /nfs/dbraw/zinc/15/28/27/708152827.db2.gz ZCDNSQYOWYJWRC-KBPBESRZSA-N 1 2 338.415 1.816 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(OC)cc[nH]c2=O)C1 ZINC001033589814 708285693 /nfs/dbraw/zinc/28/56/93/708285693.db2.gz SRWQFAQMVOORGS-LLVKDONJSA-N 1 2 325.796 1.695 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(OC)cc[nH]c2=O)C1 ZINC001033589814 708285695 /nfs/dbraw/zinc/28/56/95/708285695.db2.gz SRWQFAQMVOORGS-LLVKDONJSA-N 1 2 325.796 1.695 20 30 EDEDLO C=C(C)CCC(=O)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001061024604 708309698 /nfs/dbraw/zinc/30/96/98/708309698.db2.gz DTWMUNIOEAKROU-UHFFFAOYSA-N 1 2 330.432 1.690 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061678401 708415066 /nfs/dbraw/zinc/41/50/66/708415066.db2.gz UBALKSHXXGHHOB-RRFJBIMHSA-N 1 2 346.431 1.213 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061678401 708415070 /nfs/dbraw/zinc/41/50/70/708415070.db2.gz UBALKSHXXGHHOB-RRFJBIMHSA-N 1 2 346.431 1.213 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033707205 708539233 /nfs/dbraw/zinc/53/92/33/708539233.db2.gz WYPSFZKFBAFBEI-NSHDSACASA-N 1 2 331.401 1.658 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033707205 708539234 /nfs/dbraw/zinc/53/92/34/708539234.db2.gz WYPSFZKFBAFBEI-NSHDSACASA-N 1 2 331.401 1.658 20 30 EDEDLO C=CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001061691403 708674896 /nfs/dbraw/zinc/67/48/96/708674896.db2.gz UINHZLAMZVZKOS-AWEZNQCLSA-N 1 2 342.399 1.486 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001033775931 708701754 /nfs/dbraw/zinc/70/17/54/708701754.db2.gz MAPMOXKZYMQJJD-NWDGAFQWSA-N 1 2 344.253 1.096 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001033775931 708701756 /nfs/dbraw/zinc/70/17/56/708701756.db2.gz MAPMOXKZYMQJJD-NWDGAFQWSA-N 1 2 344.253 1.096 20 30 EDEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)C(F)F)CC2)c1 ZINC001002206345 708710993 /nfs/dbraw/zinc/71/09/93/708710993.db2.gz JEZGVXPMTWMDJM-UHFFFAOYSA-N 1 2 335.354 1.452 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001033834244 708861378 /nfs/dbraw/zinc/86/13/78/708861378.db2.gz VLNSEHCDLINOPJ-OIISXLGYSA-N 1 2 347.463 1.219 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001033834244 708861381 /nfs/dbraw/zinc/86/13/81/708861381.db2.gz VLNSEHCDLINOPJ-OIISXLGYSA-N 1 2 347.463 1.219 20 30 EDEDLO CCN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033887601 708996191 /nfs/dbraw/zinc/99/61/91/708996191.db2.gz IWDHQBZMIBQYRH-AWEZNQCLSA-N 1 2 342.378 1.552 20 30 EDEDLO CCN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033887601 708996194 /nfs/dbraw/zinc/99/61/94/708996194.db2.gz IWDHQBZMIBQYRH-AWEZNQCLSA-N 1 2 342.378 1.552 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC001061096710 709041753 /nfs/dbraw/zinc/04/17/53/709041753.db2.gz WJLNKNWLTCGWSK-GJZGRUSLSA-N 1 2 338.415 1.769 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)C[C@H]2CCOC2)CC1 ZINC001002511993 709059483 /nfs/dbraw/zinc/05/94/83/709059483.db2.gz SMDMIXGYHZUKFA-GFCCVEGCSA-N 1 2 331.254 1.902 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2nnn(C)c2C)CC1 ZINC001002517625 709068973 /nfs/dbraw/zinc/06/89/73/709068973.db2.gz TZKQKUOVCZZXTP-UHFFFAOYSA-N 1 2 342.241 1.226 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cccc(=O)[nH]2)CC1 ZINC001002542017 709104914 /nfs/dbraw/zinc/10/49/14/709104914.db2.gz UQCFWIVVNBLKOP-UHFFFAOYSA-N 1 2 340.221 1.890 20 30 EDEDLO N#Cc1cnc(N[C@@H]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001061107127 709132316 /nfs/dbraw/zinc/13/23/16/709132316.db2.gz HJGZUDGYMXOWLB-NEPJUHHUSA-N 1 2 325.376 1.153 20 30 EDEDLO C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC001033987112 709183081 /nfs/dbraw/zinc/18/30/81/709183081.db2.gz HZJGTPJALMCBMX-LLVKDONJSA-N 1 2 328.338 1.988 20 30 EDEDLO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC001033987112 709183084 /nfs/dbraw/zinc/18/30/84/709183084.db2.gz HZJGTPJALMCBMX-LLVKDONJSA-N 1 2 328.338 1.988 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001034049652 709304295 /nfs/dbraw/zinc/30/42/95/709304295.db2.gz SNIMJSHTPQXWKC-ZIAGYGMSSA-N 1 2 337.855 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001034049652 709304296 /nfs/dbraw/zinc/30/42/96/709304296.db2.gz SNIMJSHTPQXWKC-ZIAGYGMSSA-N 1 2 337.855 1.516 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001002778147 709378582 /nfs/dbraw/zinc/37/85/82/709378582.db2.gz QUFMABLJMXCPFP-CQSZACIVSA-N 1 2 330.432 1.232 20 30 EDEDLO CCn1ccnc1C[N@@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171349 709485307 /nfs/dbraw/zinc/48/53/07/709485307.db2.gz NYTISPJGHIKKDO-HNNXBMFYSA-N 1 2 340.431 1.887 20 30 EDEDLO CCn1ccnc1C[N@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171349 709485310 /nfs/dbraw/zinc/48/53/10/709485310.db2.gz NYTISPJGHIKKDO-HNNXBMFYSA-N 1 2 340.431 1.887 20 30 EDEDLO C=CC[N@H+]1CCCC[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001034217560 709573425 /nfs/dbraw/zinc/57/34/25/709573425.db2.gz SWTUTBASTGHROL-ZDUSSCGKSA-N 1 2 326.418 1.453 20 30 EDEDLO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001034217560 709573427 /nfs/dbraw/zinc/57/34/27/709573427.db2.gz SWTUTBASTGHROL-ZDUSSCGKSA-N 1 2 326.418 1.453 20 30 EDEDLO C=CCn1cc(C(=O)NC2CC[NH+](Cc3cc(C)on3)CC2)nn1 ZINC001003759092 710531439 /nfs/dbraw/zinc/53/14/39/710531439.db2.gz HRWPTURADLYBRY-UHFFFAOYSA-N 1 2 330.392 1.155 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001003787517 710560096 /nfs/dbraw/zinc/56/00/96/710560096.db2.gz GNNRZDODVFBBTI-RCBQFDQVSA-N 1 2 347.463 1.736 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cnn(C)c2)C1 ZINC001032945646 710925559 /nfs/dbraw/zinc/92/55/59/710925559.db2.gz GALGELMYYSYWGY-ZDUSSCGKSA-N 1 2 341.253 1.404 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cnn(C)c2)C1 ZINC001032945646 710925561 /nfs/dbraw/zinc/92/55/61/710925561.db2.gz GALGELMYYSYWGY-ZDUSSCGKSA-N 1 2 341.253 1.404 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cc(Cn3cccn3)on2)CC1 ZINC001003929213 710980388 /nfs/dbraw/zinc/98/03/88/710980388.db2.gz AENPYYXBCPOSAY-UHFFFAOYSA-N 1 2 349.822 1.866 20 30 EDEDLO COc1nscc1C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001032988645 711125358 /nfs/dbraw/zinc/12/53/58/711125358.db2.gz CVCWQGLMRRMRSD-ZDUSSCGKSA-N 1 2 345.428 1.698 20 30 EDEDLO COc1nscc1C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001032988645 711125362 /nfs/dbraw/zinc/12/53/62/711125362.db2.gz CVCWQGLMRRMRSD-ZDUSSCGKSA-N 1 2 345.428 1.698 20 30 EDEDLO N#Cc1ccccc1C[NH2+]Cc1ccc(CNC(=O)c2cn[nH]n2)cc1 ZINC001034818860 711206042 /nfs/dbraw/zinc/20/60/42/711206042.db2.gz FLTBEHLNSDJUBA-UHFFFAOYSA-N 1 2 346.394 1.896 20 30 EDEDLO N#Cc1ccccc1C[NH2+]Cc1ccc(CNC(=O)c2cnn[nH]2)cc1 ZINC001034818860 711206045 /nfs/dbraw/zinc/20/60/45/711206045.db2.gz FLTBEHLNSDJUBA-UHFFFAOYSA-N 1 2 346.394 1.896 20 30 EDEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001033017255 711261264 /nfs/dbraw/zinc/26/12/64/711261264.db2.gz GQBLDNWNNKZSOY-INIZCTEOSA-N 1 2 338.415 1.376 20 30 EDEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001033017255 711261265 /nfs/dbraw/zinc/26/12/65/711261265.db2.gz GQBLDNWNNKZSOY-INIZCTEOSA-N 1 2 338.415 1.376 20 30 EDEDLO N#Cc1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(C3CC3)no2)c[nH]1 ZINC001034911840 711340331 /nfs/dbraw/zinc/34/03/31/711340331.db2.gz LEUOQKZAEYLSME-CQSZACIVSA-N 1 2 340.387 1.541 20 30 EDEDLO Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)oc1C ZINC001033023265 711366682 /nfs/dbraw/zinc/36/66/82/711366682.db2.gz UTQCRUZBRKVBGY-CQSZACIVSA-N 1 2 327.388 1.838 20 30 EDEDLO Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)oc1C ZINC001033023265 711366687 /nfs/dbraw/zinc/36/66/87/711366687.db2.gz UTQCRUZBRKVBGY-CQSZACIVSA-N 1 2 327.388 1.838 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cncnc2)C1 ZINC001033040715 711522452 /nfs/dbraw/zinc/52/24/52/711522452.db2.gz DEBYEUISYBBVLN-CYBMUJFWSA-N 1 2 339.237 1.460 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cncnc2)C1 ZINC001033040715 711522455 /nfs/dbraw/zinc/52/24/55/711522455.db2.gz DEBYEUISYBBVLN-CYBMUJFWSA-N 1 2 339.237 1.460 20 30 EDEDLO COCCn1ccc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004485252 711864639 /nfs/dbraw/zinc/86/46/39/711864639.db2.gz OOLUNOYDFFACDF-QGZVFWFLSA-N 1 2 345.447 1.370 20 30 EDEDLO COCCn1ccc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004485252 711864641 /nfs/dbraw/zinc/86/46/41/711864641.db2.gz OOLUNOYDFFACDF-QGZVFWFLSA-N 1 2 345.447 1.370 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)CC1 ZINC001004523096 711922412 /nfs/dbraw/zinc/92/24/12/711922412.db2.gz RCNWTYVXDGFBIP-GDBMZVCRSA-N 1 2 342.447 1.451 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)CC1 ZINC001004523096 711922413 /nfs/dbraw/zinc/92/24/13/711922413.db2.gz RCNWTYVXDGFBIP-GDBMZVCRSA-N 1 2 342.447 1.451 20 30 EDEDLO COc1ncccc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004528333 711932807 /nfs/dbraw/zinc/93/28/07/711932807.db2.gz HTTOLTAIESDHFV-INIZCTEOSA-N 1 2 328.416 1.930 20 30 EDEDLO COc1ncccc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004528333 711932808 /nfs/dbraw/zinc/93/28/08/711932808.db2.gz HTTOLTAIESDHFV-INIZCTEOSA-N 1 2 328.416 1.930 20 30 EDEDLO COCc1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)no1 ZINC001004579584 712011489 /nfs/dbraw/zinc/01/14/89/712011489.db2.gz OFLYNGYATOMHLK-INIZCTEOSA-N 1 2 332.404 1.661 20 30 EDEDLO COCc1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)no1 ZINC001004579584 712011490 /nfs/dbraw/zinc/01/14/90/712011490.db2.gz OFLYNGYATOMHLK-INIZCTEOSA-N 1 2 332.404 1.661 20 30 EDEDLO Cc1nn(C)c(F)c1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004610551 712064227 /nfs/dbraw/zinc/06/42/27/712064227.db2.gz RUOWBDSOTIOZGD-AWEZNQCLSA-N 1 2 333.411 1.708 20 30 EDEDLO Cc1nn(C)c(F)c1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004610551 712064228 /nfs/dbraw/zinc/06/42/28/712064228.db2.gz RUOWBDSOTIOZGD-AWEZNQCLSA-N 1 2 333.411 1.708 20 30 EDEDLO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)N1CCCC1=O ZINC001004618097 712078337 /nfs/dbraw/zinc/07/83/37/712078337.db2.gz BCMUYFVMZXGQRZ-SJORKVTESA-N 1 2 346.475 1.614 20 30 EDEDLO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)N1CCCC1=O ZINC001004618097 712078338 /nfs/dbraw/zinc/07/83/38/712078338.db2.gz BCMUYFVMZXGQRZ-SJORKVTESA-N 1 2 346.475 1.614 20 30 EDEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N[C@@H]1CCCNC1=O ZINC000328666058 539346392 /nfs/dbraw/zinc/34/63/92/539346392.db2.gz CPHVFCSQNGQOEM-CYBMUJFWSA-N 1 2 333.392 1.041 20 30 EDEDLO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000328875789 539374790 /nfs/dbraw/zinc/37/47/90/539374790.db2.gz GBCUNBQMKBXGKP-LBPRGKRZSA-N 1 2 329.466 1.223 20 30 EDEDLO O=C(CCNC(=O)C1CCCCC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000329588213 539446208 /nfs/dbraw/zinc/44/62/08/539446208.db2.gz YZEVCRGIBBXWRL-UHFFFAOYSA-N 1 2 347.463 1.981 20 30 EDEDLO O=C(NCCOc1ccc(F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329732356 539461088 /nfs/dbraw/zinc/46/10/88/539461088.db2.gz ITAIJKLPFKILGO-HNNXBMFYSA-N 1 2 337.395 1.525 20 30 EDEDLO C[N@H+](C[C@H]1CCCCO1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936908 219242512 /nfs/dbraw/zinc/24/25/12/219242512.db2.gz JOCLZQYKXYOWCI-HZPDHXFCSA-N 1 2 327.384 1.691 20 30 EDEDLO C[N@@H+](C[C@H]1CCCCO1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936908 219242515 /nfs/dbraw/zinc/24/25/15/219242515.db2.gz JOCLZQYKXYOWCI-HZPDHXFCSA-N 1 2 327.384 1.691 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000562254055 306293086 /nfs/dbraw/zinc/29/30/86/306293086.db2.gz SGSHVRFAJFQSIM-HIFRSBDPSA-N 1 2 344.415 1.894 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000339177795 282785736 /nfs/dbraw/zinc/78/57/36/282785736.db2.gz WIDHZIYQCIKZEJ-DJJJIMSYSA-N 1 2 349.394 1.225 20 30 EDEDLO Cc1ccccc1OC[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000081515483 236986779 /nfs/dbraw/zinc/98/67/79/236986779.db2.gz AGZANPARTDMLDH-GOSISDBHSA-N 1 2 347.459 1.283 20 30 EDEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000109034785 237104293 /nfs/dbraw/zinc/10/42/93/237104293.db2.gz HCDMTZCAKPTSBR-ZDUSSCGKSA-N 1 2 346.456 1.793 20 30 EDEDLO Cc1cc(C[NH+]2CCN(Cc3cnc4c(C#N)cnn4c3)CC2)on1 ZINC000566245328 306406053 /nfs/dbraw/zinc/40/60/53/306406053.db2.gz JFFXAUJBHKFPHV-UHFFFAOYSA-N 1 2 337.387 1.215 20 30 EDEDLO COc1cccc(C(N)=[NH+]OCCCN2C(=O)NC(C)(C)C2=O)c1 ZINC000270260008 249398606 /nfs/dbraw/zinc/39/86/06/249398606.db2.gz PCIYHNITIGMBJC-UHFFFAOYSA-N 1 2 334.376 1.053 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331884382 249925017 /nfs/dbraw/zinc/92/50/17/249925017.db2.gz MZSVPNXQTAOBSW-OAHLLOKOSA-N 1 2 344.463 1.258 20 30 EDEDLO N#CC1CC[NH+]([C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)CC1 ZINC000352277718 250078599 /nfs/dbraw/zinc/07/85/99/250078599.db2.gz FISHEKXEJLRCKL-MRXNPFEDSA-N 1 2 329.375 1.731 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355130130 250106860 /nfs/dbraw/zinc/10/68/60/250106860.db2.gz SPAFPLUJZNTTCK-GOSISDBHSA-N 1 2 340.431 1.130 20 30 EDEDLO CC(C)(CNC(=O)[C@@H](C#N)CCc1ccccc1)[NH+]1CCOCC1 ZINC000355516176 250116394 /nfs/dbraw/zinc/11/63/94/250116394.db2.gz BRRLZFFUXYAORE-QGZVFWFLSA-N 1 2 329.444 1.986 20 30 EDEDLO C=C[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000358466999 250136263 /nfs/dbraw/zinc/13/62/63/250136263.db2.gz ODLONAAJYLIGSD-UKRRQHHQSA-N 1 2 330.388 1.364 20 30 EDEDLO C=CCN(CCC#N)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000359382364 250153474 /nfs/dbraw/zinc/15/34/74/250153474.db2.gz GXCQVELWZBHRGW-OAHLLOKOSA-N 1 2 331.420 1.411 20 30 EDEDLO C=CCN(CCC#N)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000359382364 250153476 /nfs/dbraw/zinc/15/34/76/250153476.db2.gz GXCQVELWZBHRGW-OAHLLOKOSA-N 1 2 331.420 1.411 20 30 EDEDLO C[C@H](CC#N)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000366095363 250189396 /nfs/dbraw/zinc/18/93/96/250189396.db2.gz KXUQHJCBXXGDNW-SJLPKXTDSA-N 1 2 344.459 1.238 20 30 EDEDLO C[C@H](CC#N)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000366095363 250189401 /nfs/dbraw/zinc/18/94/01/250189401.db2.gz KXUQHJCBXXGDNW-SJLPKXTDSA-N 1 2 344.459 1.238 20 30 EDEDLO C=C(C)[C@@H](CC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1)OCC ZINC000371057574 250211449 /nfs/dbraw/zinc/21/14/49/250211449.db2.gz XFEXBWTXANUACI-SJLPKXTDSA-N 1 2 340.464 1.355 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000410488384 250327016 /nfs/dbraw/zinc/32/70/16/250327016.db2.gz KATDZPOKPWMNIQ-UHFFFAOYSA-N 1 2 349.500 1.989 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CC1 ZINC000268301409 533052756 /nfs/dbraw/zinc/05/27/56/533052756.db2.gz XYDUBRRDLBKIAD-UHFFFAOYSA-N 1 2 341.390 1.247 20 30 EDEDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000570264238 306534576 /nfs/dbraw/zinc/53/45/76/306534576.db2.gz WLVRZSXNHYMPIT-MRXNPFEDSA-N 1 2 343.475 1.968 20 30 EDEDLO COCC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000263670638 139351514 /nfs/dbraw/zinc/35/15/14/139351514.db2.gz IDULRVMXXNKFLS-HNNXBMFYSA-N 1 2 330.432 1.810 20 30 EDEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000153901082 533165989 /nfs/dbraw/zinc/16/59/89/533165989.db2.gz OPWJFCZAKGRGLU-AWEZNQCLSA-N 1 2 337.427 1.705 20 30 EDEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)C[C@@H](C)O1 ZINC000263777165 139359695 /nfs/dbraw/zinc/35/96/95/139359695.db2.gz XVGZOWJBYNPNQJ-HZPDHXFCSA-N 1 2 342.443 1.316 20 30 EDEDLO Cc1nc(N2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000459398547 254971359 /nfs/dbraw/zinc/97/13/59/254971359.db2.gz IOAIAPGUHAYAEF-UHFFFAOYSA-N 1 2 338.371 1.887 20 30 EDEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000154095455 224202764 /nfs/dbraw/zinc/20/27/64/224202764.db2.gz NDLKKULYAPZWLK-UHFFFAOYSA-N 1 2 325.409 1.826 20 30 EDEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)CC1 ZINC000490949906 255111822 /nfs/dbraw/zinc/11/18/22/255111822.db2.gz MWORVYMJMKIMIT-KRWDZBQOSA-N 1 2 347.459 1.360 20 30 EDEDLO C#CCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000491706493 255143920 /nfs/dbraw/zinc/14/39/20/255143920.db2.gz QXMXOPWGBTVBMR-CVEARBPZSA-N 1 2 335.835 1.986 20 30 EDEDLO C#CCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000491706493 255143921 /nfs/dbraw/zinc/14/39/21/255143921.db2.gz QXMXOPWGBTVBMR-CVEARBPZSA-N 1 2 335.835 1.986 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000495206681 255273000 /nfs/dbraw/zinc/27/30/00/255273000.db2.gz WYNFMCMAURPTAR-DOTOQJQBSA-N 1 2 332.444 1.707 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000495206681 255273001 /nfs/dbraw/zinc/27/30/01/255273001.db2.gz WYNFMCMAURPTAR-DOTOQJQBSA-N 1 2 332.444 1.707 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](CC(=O)NC3(C#N)CCC3)[C@@H]2C1 ZINC000495917955 255335802 /nfs/dbraw/zinc/33/58/02/255335802.db2.gz BNPBNVRNRNIBHB-UONOGXRCSA-N 1 2 348.447 1.490 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CC(=O)NC3(C#N)CCC3)[C@@H]2C1 ZINC000495917955 255335803 /nfs/dbraw/zinc/33/58/03/255335803.db2.gz BNPBNVRNRNIBHB-UONOGXRCSA-N 1 2 348.447 1.490 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)CC(C)(C)C#N ZINC000496020082 255342111 /nfs/dbraw/zinc/34/21/11/255342111.db2.gz IXVUPRHUCRUFMO-ZDUSSCGKSA-N 1 2 338.452 1.594 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)CC(C)(C)C#N ZINC000496020082 255342112 /nfs/dbraw/zinc/34/21/12/255342112.db2.gz IXVUPRHUCRUFMO-ZDUSSCGKSA-N 1 2 338.452 1.594 20 30 EDEDLO C[N@@H+]1CCN(c2ncc(C#N)cc2F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496476803 255396345 /nfs/dbraw/zinc/39/63/45/255396345.db2.gz HDLZTPGOQSEQCO-CYBMUJFWSA-N 1 2 349.410 1.737 20 30 EDEDLO C[N@H+]1CCN(c2ncc(C#N)cc2F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496476803 255396346 /nfs/dbraw/zinc/39/63/46/255396346.db2.gz HDLZTPGOQSEQCO-CYBMUJFWSA-N 1 2 349.410 1.737 20 30 EDEDLO C=C[C@H](C)ONC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496241953 255369607 /nfs/dbraw/zinc/36/96/07/255369607.db2.gz CLXONEOBVNEXRM-STQMWFEESA-N 1 2 342.440 1.343 20 30 EDEDLO C=C[C@H](C)ONC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496241953 255369608 /nfs/dbraw/zinc/36/96/08/255369608.db2.gz CLXONEOBVNEXRM-STQMWFEESA-N 1 2 342.440 1.343 20 30 EDEDLO COc1c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(C)nn1C ZINC000271044493 140226293 /nfs/dbraw/zinc/22/62/93/140226293.db2.gz PPJHHKYEPPGPID-UHFFFAOYSA-N 1 2 326.404 1.326 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCN1c1nccn2cnnc12 ZINC000271234917 140261105 /nfs/dbraw/zinc/26/11/05/140261105.db2.gz DFCAKIUGPHQBKA-GFCCVEGCSA-N 1 2 339.428 1.768 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCN1c1nccn2cnnc12 ZINC000271234917 140261106 /nfs/dbraw/zinc/26/11/06/140261106.db2.gz DFCAKIUGPHQBKA-GFCCVEGCSA-N 1 2 339.428 1.768 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271255210 140265071 /nfs/dbraw/zinc/26/50/71/140265071.db2.gz SQGMRPKQQYDUFX-QGZVFWFLSA-N 1 2 329.400 1.750 20 30 EDEDLO Cc1ncc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)cc1C#N ZINC000331877750 141092676 /nfs/dbraw/zinc/09/26/76/141092676.db2.gz BUPDASKBEVUFPF-UHFFFAOYSA-N 1 2 345.428 1.316 20 30 EDEDLO Cn1ncc2c1CCC[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000333155538 141273195 /nfs/dbraw/zinc/27/31/95/141273195.db2.gz NAHZLWVNRQUNHT-OAHLLOKOSA-N 1 2 341.440 1.907 20 30 EDEDLO Cn1ncc2c1CCC[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000333155538 141273196 /nfs/dbraw/zinc/27/31/96/141273196.db2.gz NAHZLWVNRQUNHT-OAHLLOKOSA-N 1 2 341.440 1.907 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](C[C@](C)(O)C(F)(F)F)CC2)c1C#N ZINC000337207075 141549931 /nfs/dbraw/zinc/54/99/31/141549931.db2.gz NUGLYAZHIWZUDL-ZDUSSCGKSA-N 1 2 331.342 1.036 20 30 EDEDLO CS(=O)(=O)c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)s1 ZINC000345129425 143054511 /nfs/dbraw/zinc/05/45/11/143054511.db2.gz IGKGHJQFXKHUGI-AWEZNQCLSA-N 1 2 349.437 1.339 20 30 EDEDLO COCCN1C(=O)N[C@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000345679399 143120555 /nfs/dbraw/zinc/12/05/55/143120555.db2.gz CHMITZSIBVLTIZ-HOTGVXAUSA-N 1 2 348.834 1.826 20 30 EDEDLO COCCN1C(=O)N[C@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000345679399 143120556 /nfs/dbraw/zinc/12/05/56/143120556.db2.gz CHMITZSIBVLTIZ-HOTGVXAUSA-N 1 2 348.834 1.826 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000246528253 148968863 /nfs/dbraw/zinc/96/88/63/148968863.db2.gz RUWFAICKTYDJQG-SJORKVTESA-N 1 2 329.400 1.179 20 30 EDEDLO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355122750 150126032 /nfs/dbraw/zinc/12/60/32/150126032.db2.gz ILIAIORVUWMSPC-DOTOQJQBSA-N 1 2 341.459 1.770 20 30 EDEDLO N#Cc1ccc(NCCCCN2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000357554301 151066244 /nfs/dbraw/zinc/06/62/44/151066244.db2.gz VRAINKAMEYSWKJ-UHFFFAOYSA-N 1 2 347.419 1.268 20 30 EDEDLO CCn1c(C)nnc1C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000360942649 152259890 /nfs/dbraw/zinc/25/98/90/152259890.db2.gz RSSDTKIAODLLGH-UHFFFAOYSA-N 1 2 325.420 1.585 20 30 EDEDLO CCn1c(C)nnc1C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000360942649 152259892 /nfs/dbraw/zinc/25/98/92/152259892.db2.gz RSSDTKIAODLLGH-UHFFFAOYSA-N 1 2 325.420 1.585 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCO[C@H]3CCC[C@@H]32)c1 ZINC000361234937 152342103 /nfs/dbraw/zinc/34/21/03/152342103.db2.gz USIADHIAUCVGLX-IRXDYDNUSA-N 1 2 334.441 1.975 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCO[C@H]3CCC[C@@H]32)c1 ZINC000361234937 152342104 /nfs/dbraw/zinc/34/21/04/152342104.db2.gz USIADHIAUCVGLX-IRXDYDNUSA-N 1 2 334.441 1.975 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(C#N)c1C ZINC000361437840 152396257 /nfs/dbraw/zinc/39/62/57/152396257.db2.gz QLUNWLPXFPNSPK-HNNXBMFYSA-N 1 2 347.415 1.977 20 30 EDEDLO Cc1cccc(S(=O)(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)c1C#N ZINC000365553260 153553259 /nfs/dbraw/zinc/55/32/59/153553259.db2.gz WPWZQFZNWYVOLE-CQSZACIVSA-N 1 2 344.440 1.946 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366072958 153706856 /nfs/dbraw/zinc/70/68/56/153706856.db2.gz GALSJNWCWQTIDC-HOCLYGCPSA-N 1 2 329.400 1.259 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@H]2Cn2ccnn2)c(C#N)c1C ZINC000369421515 155024062 /nfs/dbraw/zinc/02/40/62/155024062.db2.gz CNUIHIPWAGUENO-AWEZNQCLSA-N 1 2 342.403 1.853 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCCC[C@H]2Cn2ccnn2)c(C#N)c1C ZINC000369421515 155024064 /nfs/dbraw/zinc/02/40/64/155024064.db2.gz CNUIHIPWAGUENO-AWEZNQCLSA-N 1 2 342.403 1.853 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000378488184 158189392 /nfs/dbraw/zinc/18/93/92/158189392.db2.gz MTJODYBCRIQXIO-HNNXBMFYSA-N 1 2 330.413 1.892 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1cncc(C#N)c1 ZINC000352314106 162112378 /nfs/dbraw/zinc/11/23/78/162112378.db2.gz OMJFSJVCXBESDV-UHFFFAOYSA-N 1 2 341.396 1.590 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000122692543 222139387 /nfs/dbraw/zinc/13/93/87/222139387.db2.gz KXZMEIZZQPRJOG-HIFRSBDPSA-N 1 2 337.445 1.024 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O ZINC000122692543 222139390 /nfs/dbraw/zinc/13/93/90/222139390.db2.gz KXZMEIZZQPRJOG-HIFRSBDPSA-N 1 2 337.445 1.024 20 30 EDEDLO CCC[C@@]1(CO)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000288642226 266073478 /nfs/dbraw/zinc/07/34/78/266073478.db2.gz ASYKPIUQBSSOAV-MRXNPFEDSA-N 1 2 337.445 1.211 20 30 EDEDLO CCC[C@@]1(CO)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000288642226 266073481 /nfs/dbraw/zinc/07/34/81/266073481.db2.gz ASYKPIUQBSSOAV-MRXNPFEDSA-N 1 2 337.445 1.211 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285129282 266162639 /nfs/dbraw/zinc/16/26/39/266162639.db2.gz KUDYRPSJXUSLAW-UHFFFAOYSA-N 1 2 348.834 1.496 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285129282 266162640 /nfs/dbraw/zinc/16/26/40/266162640.db2.gz KUDYRPSJXUSLAW-UHFFFAOYSA-N 1 2 348.834 1.496 20 30 EDEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000295236977 266360647 /nfs/dbraw/zinc/36/06/47/266360647.db2.gz DCWXOKSEMJGLAG-GFCCVEGCSA-N 1 2 325.409 1.802 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](CO)O1 ZINC000190141671 267055122 /nfs/dbraw/zinc/05/51/22/267055122.db2.gz ZJXJPMQAZRZXAR-CXAGYDPISA-N 1 2 326.400 1.540 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](CO)O1 ZINC000190141671 267055124 /nfs/dbraw/zinc/05/51/24/267055124.db2.gz ZJXJPMQAZRZXAR-CXAGYDPISA-N 1 2 326.400 1.540 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CSc1ccc(C#N)cc1 ZINC000285625472 267089559 /nfs/dbraw/zinc/08/95/59/267089559.db2.gz CSRQCXNPVKISST-ZBFHGGJFSA-N 1 2 345.468 1.972 20 30 EDEDLO CCOC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC12COC2 ZINC000451141807 267134640 /nfs/dbraw/zinc/13/46/40/267134640.db2.gz WBMZSFWNURMXIH-OAHLLOKOSA-N 1 2 343.383 1.008 20 30 EDEDLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC12COC2 ZINC000451141807 267134643 /nfs/dbraw/zinc/13/46/43/267134643.db2.gz WBMZSFWNURMXIH-OAHLLOKOSA-N 1 2 343.383 1.008 20 30 EDEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000301532065 267214293 /nfs/dbraw/zinc/21/42/93/267214293.db2.gz SCNKIJVPKGAXQC-JKSUJKDBSA-N 1 2 341.459 1.770 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000288228430 267236626 /nfs/dbraw/zinc/23/66/26/267236626.db2.gz FIEPJPWRKGWVIK-YOEHRIQHSA-N 1 2 349.456 1.041 20 30 EDEDLO CN(CC(=O)Nc1sccc1C#N)C(C)(C)C[NH+]1CCOCC1 ZINC000412085986 267299572 /nfs/dbraw/zinc/29/95/72/267299572.db2.gz FGSXVOSJERBFQI-UHFFFAOYSA-N 1 2 336.461 1.601 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000438593799 267369097 /nfs/dbraw/zinc/36/90/97/267369097.db2.gz DFGHBRDAGDCRHB-DZGCQCFKSA-N 1 2 333.413 1.065 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000438593799 267369102 /nfs/dbraw/zinc/36/91/02/267369102.db2.gz DFGHBRDAGDCRHB-DZGCQCFKSA-N 1 2 333.413 1.065 20 30 EDEDLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000412060980 267391375 /nfs/dbraw/zinc/39/13/75/267391375.db2.gz ACIRFWDODSCZGC-CYBMUJFWSA-N 1 2 333.413 1.335 20 30 EDEDLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000412060980 267391379 /nfs/dbraw/zinc/39/13/79/267391379.db2.gz ACIRFWDODSCZGC-CYBMUJFWSA-N 1 2 333.413 1.335 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000289199292 268082164 /nfs/dbraw/zinc/08/21/64/268082164.db2.gz OTTJNDCCQQELTG-INIZCTEOSA-N 1 2 342.424 1.652 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(C#N)c1C ZINC000411829111 268104431 /nfs/dbraw/zinc/10/44/31/268104431.db2.gz MWYCTFWUZPEUHA-DFBGVHRSSA-N 1 2 332.404 1.110 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(C#N)c1C ZINC000411829111 268104432 /nfs/dbraw/zinc/10/44/32/268104432.db2.gz MWYCTFWUZPEUHA-DFBGVHRSSA-N 1 2 332.404 1.110 20 30 EDEDLO N#Cc1ccc(N2CCC(C(=O)NCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000285221496 268105607 /nfs/dbraw/zinc/10/56/07/268105607.db2.gz QBUFTFHBBBBXRH-UHFFFAOYSA-N 1 2 341.390 1.927 20 30 EDEDLO N#Cc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000274295958 268177557 /nfs/dbraw/zinc/17/75/57/268177557.db2.gz OVKGTQDGOQYTIH-KRWDZBQOSA-N 1 2 341.411 1.709 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C[C@@H](O)CC3(O)CCC3)CC2)cc1 ZINC000528337362 268217288 /nfs/dbraw/zinc/21/72/88/268217288.db2.gz JRUJHSPXAPFCHV-IBGZPJMESA-N 1 2 343.471 1.732 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C[C@@H](O)CC3(O)CCC3)CC2)cc1 ZINC000528337362 268217289 /nfs/dbraw/zinc/21/72/89/268217289.db2.gz JRUJHSPXAPFCHV-IBGZPJMESA-N 1 2 343.471 1.732 20 30 EDEDLO N#Cc1cccc(C[NH+]2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 ZINC000298151431 268247313 /nfs/dbraw/zinc/24/73/13/268247313.db2.gz APBQCCSVTWUMSS-LJQANCHMSA-N 1 2 334.423 1.902 20 30 EDEDLO N#Cc1cccc(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000284138378 268249004 /nfs/dbraw/zinc/24/90/04/268249004.db2.gz WLIIHNKPFHPGGP-UHFFFAOYSA-N 1 2 337.383 1.304 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000459353634 268291259 /nfs/dbraw/zinc/29/12/59/268291259.db2.gz XASPPLGCOPYYIZ-UHFFFAOYSA-N 1 2 326.360 1.507 20 30 EDEDLO N#Cc1ncccc1N1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000290698762 268327111 /nfs/dbraw/zinc/32/71/11/268327111.db2.gz VRVCNXRWFFHQJM-LJQANCHMSA-N 1 2 347.422 1.881 20 30 EDEDLO Cn1cc(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)cc1C#N ZINC000276736693 268468018 /nfs/dbraw/zinc/46/80/18/268468018.db2.gz ICINSCOEBQUENQ-UHFFFAOYSA-N 1 2 342.447 1.895 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000282142699 273594794 /nfs/dbraw/zinc/59/47/94/273594794.db2.gz KRPRPMLYZJZIJF-UHFFFAOYSA-N 1 2 333.457 1.948 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC#Cc1ccccc1 ZINC000286519433 279953325 /nfs/dbraw/zinc/95/33/25/279953325.db2.gz JONKYGAWQKAIHO-FUHWJXTLSA-N 1 2 327.428 1.543 20 30 EDEDLO CN1CCC[C@H]([NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)C1=O ZINC000538712023 306032987 /nfs/dbraw/zinc/03/29/87/306032987.db2.gz PFOSTQLSBWQWMW-SFHVURJKSA-N 1 2 349.438 1.849 20 30 EDEDLO N#Cc1nc(NC[C@]2([NH+]3CCOCC3)CCCOC2)ccc1Cl ZINC000378150497 447404309 /nfs/dbraw/zinc/40/43/09/447404309.db2.gz LUNCJGGTKUXKPF-MRXNPFEDSA-N 1 2 336.823 1.900 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000044743608 440883641 /nfs/dbraw/zinc/88/36/41/440883641.db2.gz ROAXYKNVVUNZCH-AWEZNQCLSA-N 1 2 332.423 1.730 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1Cl ZINC000045096721 440949848 /nfs/dbraw/zinc/94/98/48/440949848.db2.gz LXSUINSJSRWKMS-OAHLLOKOSA-N 1 2 346.818 1.893 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1Cl ZINC000045096721 440949856 /nfs/dbraw/zinc/94/98/56/440949856.db2.gz LXSUINSJSRWKMS-OAHLLOKOSA-N 1 2 346.818 1.893 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000046048628 441074088 /nfs/dbraw/zinc/07/40/88/441074088.db2.gz ABKPMEKDHITLKC-UHFFFAOYSA-N 1 2 335.411 1.981 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000057665701 441125863 /nfs/dbraw/zinc/12/58/63/441125863.db2.gz SVGKWVVCRPGPAL-UHFFFAOYSA-N 1 2 337.383 1.583 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104728596 441201624 /nfs/dbraw/zinc/20/16/24/441201624.db2.gz QBOBVAVQBPICTC-CQSZACIVSA-N 1 2 340.427 1.972 20 30 EDEDLO Cc1cccc(OCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000060634020 441254202 /nfs/dbraw/zinc/25/42/02/441254202.db2.gz WUENJESIBNCPQB-UHFFFAOYSA-N 1 2 331.416 1.448 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022796728 441286048 /nfs/dbraw/zinc/28/60/48/441286048.db2.gz UYGBMECKYXXYPP-UHFFFAOYSA-N 1 2 335.835 1.086 20 30 EDEDLO C=CC[N@H+](CC(=O)NC(=O)NC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297810 441324094 /nfs/dbraw/zinc/32/40/94/441324094.db2.gz LFSOJKNAWVFPFM-UHFFFAOYSA-N 1 2 332.360 1.571 20 30 EDEDLO C=CC[N@@H+](CC(=O)NC(=O)NC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297810 441324099 /nfs/dbraw/zinc/32/40/99/441324099.db2.gz LFSOJKNAWVFPFM-UHFFFAOYSA-N 1 2 332.360 1.571 20 30 EDEDLO C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000107288509 441407698 /nfs/dbraw/zinc/40/76/98/441407698.db2.gz AXKRFCWVCFMYDU-UHFFFAOYSA-N 1 2 329.381 1.554 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2cnccn2)CC1 ZINC000027630209 441409740 /nfs/dbraw/zinc/40/97/40/441409740.db2.gz NOGFNFUOJZEDBP-AWEZNQCLSA-N 1 2 336.399 1.497 20 30 EDEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000051508014 441413780 /nfs/dbraw/zinc/41/37/80/441413780.db2.gz IPHCSNDNOYSUEN-QGZVFWFLSA-N 1 2 329.400 1.260 20 30 EDEDLO C[N@H+](CC(=O)NC(C)(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028748721 441436311 /nfs/dbraw/zinc/43/63/11/441436311.db2.gz LZBBXFRRLMJQRD-HNNXBMFYSA-N 1 2 328.416 1.510 20 30 EDEDLO C[N@@H+](CC(=O)NC(C)(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028748721 441436315 /nfs/dbraw/zinc/43/63/15/441436315.db2.gz LZBBXFRRLMJQRD-HNNXBMFYSA-N 1 2 328.416 1.510 20 30 EDEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442368 441451503 /nfs/dbraw/zinc/45/15/03/441451503.db2.gz XNAPDANVEIHHMM-OAHLLOKOSA-N 1 2 327.432 1.476 20 30 EDEDLO COC(=O)CC[N@@H+]1CCN(c2snc(Cl)c2C#N)[C@H](C)C1 ZINC000089265276 441532253 /nfs/dbraw/zinc/53/22/53/441532253.db2.gz NRMTVIQBFAEEMR-SECBINFHSA-N 1 2 328.825 1.742 20 30 EDEDLO COC(=O)CC[N@H+]1CCN(c2snc(Cl)c2C#N)[C@H](C)C1 ZINC000089265276 441532256 /nfs/dbraw/zinc/53/22/56/441532256.db2.gz NRMTVIQBFAEEMR-SECBINFHSA-N 1 2 328.825 1.742 20 30 EDEDLO COC(=O)c1cc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)oc1C ZINC000053815620 441543970 /nfs/dbraw/zinc/54/39/70/441543970.db2.gz CYVSAMOGZAJWJM-KRWDZBQOSA-N 1 2 333.388 1.615 20 30 EDEDLO COC(=O)c1cc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)oc1C ZINC000053815620 441543974 /nfs/dbraw/zinc/54/39/74/441543974.db2.gz CYVSAMOGZAJWJM-KRWDZBQOSA-N 1 2 333.388 1.615 20 30 EDEDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000055290716 441638863 /nfs/dbraw/zinc/63/88/63/441638863.db2.gz UCNAIZCOYOQMPV-ZIAGYGMSSA-N 1 2 337.445 1.336 20 30 EDEDLO C#CCC[NH+]1CCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)CC1 ZINC000091480493 441704304 /nfs/dbraw/zinc/70/43/04/441704304.db2.gz BTFJALHINOVHBK-UHFFFAOYSA-N 1 2 335.473 1.799 20 30 EDEDLO COc1cccc(N2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000069302877 441916105 /nfs/dbraw/zinc/91/61/05/441916105.db2.gz BATJXZISAYEUPF-LJQANCHMSA-N 1 2 344.459 1.872 20 30 EDEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H](C(N)=O)O1 ZINC000123234496 441880271 /nfs/dbraw/zinc/88/02/71/441880271.db2.gz PFLGVXSOOAFVPY-RISCZKNCSA-N 1 2 326.318 1.632 20 30 EDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H](C(N)=O)O1 ZINC000123234496 441880278 /nfs/dbraw/zinc/88/02/78/441880278.db2.gz PFLGVXSOOAFVPY-RISCZKNCSA-N 1 2 326.318 1.632 20 30 EDEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)CN2CCOCC2)c(Cl)c1 ZINC000078640122 441957459 /nfs/dbraw/zinc/95/74/59/441957459.db2.gz AXNCJVAIONYNIO-UHFFFAOYSA-N 1 2 340.811 1.208 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000078678659 441961749 /nfs/dbraw/zinc/96/17/49/441961749.db2.gz JSKSZGYUNAQBJX-IAGOWNOFSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000078678659 441961757 /nfs/dbraw/zinc/96/17/57/441961757.db2.gz JSKSZGYUNAQBJX-IAGOWNOFSA-N 1 2 333.476 1.487 20 30 EDEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000078691720 441963481 /nfs/dbraw/zinc/96/34/81/441963481.db2.gz DKUNQATWNCJRNA-SJLPKXTDSA-N 1 2 344.459 1.410 20 30 EDEDLO C=CCOCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000079340430 442040700 /nfs/dbraw/zinc/04/07/00/442040700.db2.gz FKXDVHHEIPYHCS-GOSISDBHSA-N 1 2 332.444 1.986 20 30 EDEDLO C=CCOCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000079340430 442040708 /nfs/dbraw/zinc/04/07/08/442040708.db2.gz FKXDVHHEIPYHCS-GOSISDBHSA-N 1 2 332.444 1.986 20 30 EDEDLO Cc1c[nH+]ccc1NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000120827956 442138922 /nfs/dbraw/zinc/13/89/22/442138922.db2.gz OFKDJYGRLXTISW-ZDUSSCGKSA-N 1 2 337.387 1.794 20 30 EDEDLO Cc1noc(C)c1CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000162512487 442098877 /nfs/dbraw/zinc/09/88/77/442098877.db2.gz QSFIPPKINGHNCZ-UHFFFAOYSA-N 1 2 334.420 1.299 20 30 EDEDLO NC(CCO)=[NH+]OCc1nnc(-c2ccc(Br)o2)o1 ZINC000121363149 442208024 /nfs/dbraw/zinc/20/80/24/442208024.db2.gz BCIQGNDZOBZVQF-UHFFFAOYSA-N 1 2 331.126 1.263 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000131539580 442374167 /nfs/dbraw/zinc/37/41/67/442374167.db2.gz RVWAPVJHTKBVSP-KRWDZBQOSA-N 1 2 347.503 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000131539580 442374170 /nfs/dbraw/zinc/37/41/70/442374170.db2.gz RVWAPVJHTKBVSP-KRWDZBQOSA-N 1 2 347.503 1.877 20 30 EDEDLO COC(=O)c1coc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000155616472 442413465 /nfs/dbraw/zinc/41/34/65/442413465.db2.gz RZYRCTCDYUKDCV-GFCCVEGCSA-N 1 2 341.371 1.439 20 30 EDEDLO COC(=O)c1coc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000155616472 442413466 /nfs/dbraw/zinc/41/34/66/442413466.db2.gz RZYRCTCDYUKDCV-GFCCVEGCSA-N 1 2 341.371 1.439 20 30 EDEDLO C#CC[N@@H+](CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCCC1 ZINC000155817451 442429190 /nfs/dbraw/zinc/42/91/90/442429190.db2.gz QCSAREPEYZPCEJ-UHFFFAOYSA-N 1 2 334.441 1.906 20 30 EDEDLO C#CC[N@H+](CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCCC1 ZINC000155817451 442429192 /nfs/dbraw/zinc/42/91/92/442429192.db2.gz QCSAREPEYZPCEJ-UHFFFAOYSA-N 1 2 334.441 1.906 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3CCC[NH2+]3)cc2[nH]c1=S ZINC000178755190 442475222 /nfs/dbraw/zinc/47/52/22/442475222.db2.gz XYXXRMLWBPXMLE-GFCCVEGCSA-N 1 2 344.440 1.353 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000134917850 442537419 /nfs/dbraw/zinc/53/74/19/442537419.db2.gz YQOGKCBZVYOKAK-KRWDZBQOSA-N 1 2 328.420 1.614 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000178881548 442512145 /nfs/dbraw/zinc/51/21/45/442512145.db2.gz BCRBGEUZEORKDS-INIZCTEOSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000178881548 442512151 /nfs/dbraw/zinc/51/21/51/442512151.db2.gz BCRBGEUZEORKDS-INIZCTEOSA-N 1 2 333.476 1.487 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)cc1F ZINC000191874370 442529537 /nfs/dbraw/zinc/52/95/37/442529537.db2.gz XPKNZYQWCYWKNG-UHFFFAOYSA-N 1 2 330.407 1.437 20 30 EDEDLO N#Cc1ccc(OC2CN(C(=O)NCCCn3cc[nH+]c3)C2)cc1 ZINC000157335235 442574467 /nfs/dbraw/zinc/57/44/67/442574467.db2.gz VAJDHHCNMUSKFH-UHFFFAOYSA-N 1 2 325.372 1.618 20 30 EDEDLO COCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000172995518 442580083 /nfs/dbraw/zinc/58/00/83/442580083.db2.gz GARZJCPRGDGTNE-UHFFFAOYSA-N 1 2 343.836 1.164 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135712395 442627355 /nfs/dbraw/zinc/62/73/55/442627355.db2.gz NVHFXBNBCKWKOE-INIZCTEOSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135712395 442627358 /nfs/dbraw/zinc/62/73/58/442627358.db2.gz NVHFXBNBCKWKOE-INIZCTEOSA-N 1 2 337.420 1.697 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnn2ccccc12 ZINC000180589432 442629781 /nfs/dbraw/zinc/62/97/81/442629781.db2.gz IABHROXPTZIPLJ-CQSZACIVSA-N 1 2 333.399 1.707 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnn2ccccc12 ZINC000180589432 442629784 /nfs/dbraw/zinc/62/97/84/442629784.db2.gz IABHROXPTZIPLJ-CQSZACIVSA-N 1 2 333.399 1.707 20 30 EDEDLO C=CC[N@@H+](CCc1ccccc1C(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000187246591 442663567 /nfs/dbraw/zinc/66/35/67/442663567.db2.gz PAVDBJDQTMIRJU-HNNXBMFYSA-N 1 2 337.441 1.691 20 30 EDEDLO C=CC[N@H+](CCc1ccccc1C(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000187246591 442663569 /nfs/dbraw/zinc/66/35/69/442663569.db2.gz PAVDBJDQTMIRJU-HNNXBMFYSA-N 1 2 337.441 1.691 20 30 EDEDLO N#Cc1cccc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c1 ZINC000181740780 442713736 /nfs/dbraw/zinc/71/37/36/442713736.db2.gz WEXPGWBSCSMHPN-UHFFFAOYSA-N 1 2 333.457 1.253 20 30 EDEDLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000194023751 442832145 /nfs/dbraw/zinc/83/21/45/442832145.db2.gz KGEBSTIQAVXKMV-OKILXGFUSA-N 1 2 337.445 1.288 20 30 EDEDLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000194023751 442832148 /nfs/dbraw/zinc/83/21/48/442832148.db2.gz KGEBSTIQAVXKMV-OKILXGFUSA-N 1 2 337.445 1.288 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000194045687 442837111 /nfs/dbraw/zinc/83/71/11/442837111.db2.gz ADMCPFGATKZULC-INIZCTEOSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000194045687 442837118 /nfs/dbraw/zinc/83/71/18/442837118.db2.gz ADMCPFGATKZULC-INIZCTEOSA-N 1 2 333.476 1.487 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCNC(=O)[C@@H]2CC)c(OC)c1 ZINC000247251613 442844458 /nfs/dbraw/zinc/84/44/58/442844458.db2.gz ZXZFUJUTAQHGNY-CVEARBPZSA-N 1 2 348.443 1.374 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCNC(=O)[C@@H]2CC)c(OC)c1 ZINC000247251613 442844461 /nfs/dbraw/zinc/84/44/61/442844461.db2.gz ZXZFUJUTAQHGNY-CVEARBPZSA-N 1 2 348.443 1.374 20 30 EDEDLO C=C(C)CN(CC)C(=O)CN1CCc2[nH+]c[nH]c2[C@H]1c1ccnn1C ZINC000625502030 450396987 /nfs/dbraw/zinc/39/69/87/450396987.db2.gz MDXHTQUJENIAIE-GOSISDBHSA-N 1 2 342.447 1.515 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000248775682 442925546 /nfs/dbraw/zinc/92/55/46/442925546.db2.gz BCUYLVFFCYGFDX-INMHGKMJSA-N 1 2 347.459 1.945 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000248775682 442925549 /nfs/dbraw/zinc/92/55/49/442925549.db2.gz BCUYLVFFCYGFDX-INMHGKMJSA-N 1 2 347.459 1.945 20 30 EDEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(C(N)=O)CC1 ZINC000183826177 442967803 /nfs/dbraw/zinc/96/78/03/442967803.db2.gz BZHGACAKDIPRFA-NSHDSACASA-N 1 2 332.429 1.484 20 30 EDEDLO C[C@@H]1CN(C(=O)COc2ccc(C#N)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000266184467 443048966 /nfs/dbraw/zinc/04/89/66/443048966.db2.gz MFJKOLLTXMHACQ-RHSMWYFYSA-N 1 2 329.400 1.116 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000184513474 443032050 /nfs/dbraw/zinc/03/20/50/443032050.db2.gz MNOAQKXAAMMSFW-UHFFFAOYSA-N 1 2 348.406 1.740 20 30 EDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)N1CCc2sccc2C1 ZINC000266216330 443061324 /nfs/dbraw/zinc/06/13/24/443061324.db2.gz PXQDVRVOGFNXEF-LBPRGKRZSA-N 1 2 339.461 1.983 20 30 EDEDLO Cc1nc(N2CCN(C(=O)COc3ccccc3C#N)CC2)cc[nH+]1 ZINC000185429289 443198159 /nfs/dbraw/zinc/19/81/59/443198159.db2.gz JDJIPUAIOAVSQQ-UHFFFAOYSA-N 1 2 337.383 1.384 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(F)ccc2C)CC1 ZINC000264058037 443247288 /nfs/dbraw/zinc/24/72/88/443247288.db2.gz BTSCZUZMPXNZGO-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)ccc2C)CC1 ZINC000264058037 443247291 /nfs/dbraw/zinc/24/72/91/443247291.db2.gz BTSCZUZMPXNZGO-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO N#Cc1ccc(NC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000382521648 319124003 /nfs/dbraw/zinc/12/40/03/319124003.db2.gz QVKMCDRGUIFZSB-QGZVFWFLSA-N 1 2 328.416 1.293 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000382521648 319124006 /nfs/dbraw/zinc/12/40/06/319124006.db2.gz QVKMCDRGUIFZSB-QGZVFWFLSA-N 1 2 328.416 1.293 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](N3CCOCC3)C2)cc1 ZINC000382521648 319124008 /nfs/dbraw/zinc/12/40/08/319124008.db2.gz QVKMCDRGUIFZSB-QGZVFWFLSA-N 1 2 328.416 1.293 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191405612 443291330 /nfs/dbraw/zinc/29/13/30/443291330.db2.gz XXPXKNSEGWXVEM-UHFFFAOYSA-N 1 2 346.456 1.616 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191405612 443291334 /nfs/dbraw/zinc/29/13/34/443291334.db2.gz XXPXKNSEGWXVEM-UHFFFAOYSA-N 1 2 346.456 1.616 20 30 EDEDLO Cn1cc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1C#N ZINC000191221752 443261789 /nfs/dbraw/zinc/26/17/89/443261789.db2.gz AUTWCRVVKKNDKM-UHFFFAOYSA-N 1 2 329.448 1.027 20 30 EDEDLO Cn1cc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1C#N ZINC000191221752 443261790 /nfs/dbraw/zinc/26/17/90/443261790.db2.gz AUTWCRVVKKNDKM-UHFFFAOYSA-N 1 2 329.448 1.027 20 30 EDEDLO COc1cccc(C(N)=[NH+]OCc2nnnn2CC(F)(F)F)c1 ZINC000191502880 443304329 /nfs/dbraw/zinc/30/43/29/443304329.db2.gz AZKCKRBUNHIWBG-UHFFFAOYSA-N 1 2 330.270 1.081 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000267185365 443370723 /nfs/dbraw/zinc/37/07/23/443370723.db2.gz OIJCUVJBSFLXII-KRWDZBQOSA-N 1 2 338.411 1.560 20 30 EDEDLO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000272774939 443440568 /nfs/dbraw/zinc/44/05/68/443440568.db2.gz UGWSGJCTKJMEHT-KRWDZBQOSA-N 1 2 347.415 1.325 20 30 EDEDLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000272774939 443440572 /nfs/dbraw/zinc/44/05/72/443440572.db2.gz UGWSGJCTKJMEHT-KRWDZBQOSA-N 1 2 347.415 1.325 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270617020 443476503 /nfs/dbraw/zinc/47/65/03/443476503.db2.gz FLDRIPZXHYWGDA-UONOGXRCSA-N 1 2 329.404 1.064 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270617020 443476506 /nfs/dbraw/zinc/47/65/06/443476506.db2.gz FLDRIPZXHYWGDA-UONOGXRCSA-N 1 2 329.404 1.064 20 30 EDEDLO Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(O)c1C ZINC000271211646 443495844 /nfs/dbraw/zinc/49/58/44/443495844.db2.gz BEVXDLSSZDTHIG-UHFFFAOYSA-N 1 2 331.416 1.697 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000265231221 443577162 /nfs/dbraw/zinc/57/71/62/443577162.db2.gz VAEKDKWIGLPTST-OAHLLOKOSA-N 1 2 331.416 1.219 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000274012653 443591618 /nfs/dbraw/zinc/59/16/18/443591618.db2.gz AYVUNNLFHRSWCP-ZDUSSCGKSA-N 1 2 331.391 1.217 20 30 EDEDLO C#CC[N@H+](CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000274012653 443591621 /nfs/dbraw/zinc/59/16/21/443591621.db2.gz AYVUNNLFHRSWCP-ZDUSSCGKSA-N 1 2 331.391 1.217 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)NCc1[nH+]ccn1C ZINC000273182511 443555351 /nfs/dbraw/zinc/55/53/51/443555351.db2.gz NSVRHKPLKMJHQB-UHFFFAOYSA-N 1 2 329.360 1.639 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC)CC1 ZINC000283553661 443659646 /nfs/dbraw/zinc/65/96/46/443659646.db2.gz UEUHCEGTJADDIQ-UHFFFAOYSA-N 1 2 343.406 1.771 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000286344748 443695088 /nfs/dbraw/zinc/69/50/88/443695088.db2.gz BIVXLNHWYBWBIG-AEFFLSMTSA-N 1 2 329.444 1.641 20 30 EDEDLO C#CCNc1nc(N[C@@H]2CCO[C@@H]2C)[nH+]c(N[C@@H]2CCO[C@H]2C)n1 ZINC000286437343 443711274 /nfs/dbraw/zinc/71/12/74/443711274.db2.gz ILEXGYNOOFNTPB-YVECIDJPSA-N 1 2 332.408 1.095 20 30 EDEDLO C#CCNc1nc(N[C@@H]2CCO[C@@H]2C)nc(N[C@@H]2CCO[C@H]2C)[nH+]1 ZINC000286437343 443711279 /nfs/dbraw/zinc/71/12/79/443711279.db2.gz ILEXGYNOOFNTPB-YVECIDJPSA-N 1 2 332.408 1.095 20 30 EDEDLO C#CCNc1nc(N[C@@H]2CCO[C@H]2C)nc(N[C@@H]2CCO[C@@H]2C)[nH+]1 ZINC000286437343 443711284 /nfs/dbraw/zinc/71/12/84/443711284.db2.gz ILEXGYNOOFNTPB-YVECIDJPSA-N 1 2 332.408 1.095 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1=O ZINC000287496739 443746006 /nfs/dbraw/zinc/74/60/06/443746006.db2.gz TUXOMHISXAQMLU-RVMXOQNASA-N 1 2 347.381 1.551 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)C1=O ZINC000287496739 443746010 /nfs/dbraw/zinc/74/60/10/443746010.db2.gz TUXOMHISXAQMLU-RVMXOQNASA-N 1 2 347.381 1.551 20 30 EDEDLO C=CCOc1ccc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000286726400 443722443 /nfs/dbraw/zinc/72/24/43/443722443.db2.gz CSCGYZDFXKHHMS-MSOLQXFVSA-N 1 2 345.443 1.866 20 30 EDEDLO C=CCOc1ccc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000286726400 443722449 /nfs/dbraw/zinc/72/24/49/443722449.db2.gz CSCGYZDFXKHHMS-MSOLQXFVSA-N 1 2 345.443 1.866 20 30 EDEDLO C=C(C)CS(=O)(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000280486164 443725309 /nfs/dbraw/zinc/72/53/09/443725309.db2.gz BBHSGOISUZYHKL-OAHLLOKOSA-N 1 2 338.477 1.088 20 30 EDEDLO CN1CCO[C@@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000284693576 443784175 /nfs/dbraw/zinc/78/41/75/443784175.db2.gz IBYQNQQXGNTUTC-HZPDHXFCSA-N 1 2 348.834 1.555 20 30 EDEDLO CN1CCO[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000284693576 443784177 /nfs/dbraw/zinc/78/41/77/443784177.db2.gz IBYQNQQXGNTUTC-HZPDHXFCSA-N 1 2 348.834 1.555 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000284693576 443784178 /nfs/dbraw/zinc/78/41/78/443784178.db2.gz IBYQNQQXGNTUTC-HZPDHXFCSA-N 1 2 348.834 1.555 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000284693576 443784179 /nfs/dbraw/zinc/78/41/79/443784179.db2.gz IBYQNQQXGNTUTC-HZPDHXFCSA-N 1 2 348.834 1.555 20 30 EDEDLO CO/N=C(/C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1)c1ccco1 ZINC000284959404 443798751 /nfs/dbraw/zinc/79/87/51/443798751.db2.gz JMSXZMNYIVWXEI-SPPQWUQUSA-N 1 2 346.387 1.648 20 30 EDEDLO NC(=[NH+]OCC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCO1 ZINC000284394525 443773587 /nfs/dbraw/zinc/77/35/87/443773587.db2.gz MRIKWEPZIRELDP-LLVKDONJSA-N 1 2 347.293 1.992 20 30 EDEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000284397041 443774359 /nfs/dbraw/zinc/77/43/59/443774359.db2.gz MWBVRHIPPCCXAT-ZWNOBZJWSA-N 1 2 335.360 1.253 20 30 EDEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1(CO)CCC1 ZINC000292122964 443777845 /nfs/dbraw/zinc/77/78/45/443777845.db2.gz KIVGXAGCPUVVOI-ZDUSSCGKSA-N 1 2 340.383 1.358 20 30 EDEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1(CO)CCC1 ZINC000292122964 443777847 /nfs/dbraw/zinc/77/78/47/443777847.db2.gz KIVGXAGCPUVVOI-ZDUSSCGKSA-N 1 2 340.383 1.358 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000284526242 443779410 /nfs/dbraw/zinc/77/94/10/443779410.db2.gz GFLUXHJYCZZELU-CVEARBPZSA-N 1 2 327.388 1.826 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000284526242 443779414 /nfs/dbraw/zinc/77/94/14/443779414.db2.gz GFLUXHJYCZZELU-CVEARBPZSA-N 1 2 327.388 1.826 20 30 EDEDLO CCOCc1ccc(CNC(=O)CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284562855 443779925 /nfs/dbraw/zinc/77/99/25/443779925.db2.gz WLXLNSYVNJAXTO-OAHLLOKOSA-N 1 2 335.404 1.307 20 30 EDEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccco1 ZINC000292994758 443898561 /nfs/dbraw/zinc/89/85/61/443898561.db2.gz MVAZGBBXZAICHS-CQSZACIVSA-N 1 2 337.376 1.872 20 30 EDEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000293120508 443930205 /nfs/dbraw/zinc/93/02/05/443930205.db2.gz VJGBQEIWHWHODD-KCPJHIHWSA-N 1 2 325.359 1.556 20 30 EDEDLO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000293120508 443930209 /nfs/dbraw/zinc/93/02/09/443930209.db2.gz VJGBQEIWHWHODD-KCPJHIHWSA-N 1 2 325.359 1.556 20 30 EDEDLO Cn1nccc1[C@H]1[C@H]([NH2+]C[C@H](C#N)CCC#N)CC(=O)N1C1CC1 ZINC000285355359 443953985 /nfs/dbraw/zinc/95/39/85/443953985.db2.gz XGRSTMIOWJCWIY-DXCKQFNASA-N 1 2 326.404 1.258 20 30 EDEDLO COC(=O)[C@]1(C)C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000281911663 444038014 /nfs/dbraw/zinc/03/80/14/444038014.db2.gz AYJLSFBYVAOJGD-BMLIUANNSA-N 1 2 333.388 1.838 20 30 EDEDLO COC(=O)[C@]1(C)C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000281911663 444038018 /nfs/dbraw/zinc/03/80/18/444038018.db2.gz AYJLSFBYVAOJGD-BMLIUANNSA-N 1 2 333.388 1.838 20 30 EDEDLO Cn1cc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc1C#N ZINC000281801057 444009010 /nfs/dbraw/zinc/00/90/10/444009010.db2.gz MOUBZVDLUFCDSQ-UXHICEINSA-N 1 2 336.439 1.982 20 30 EDEDLO Cn1cc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc1C#N ZINC000281801057 444009011 /nfs/dbraw/zinc/00/90/11/444009011.db2.gz MOUBZVDLUFCDSQ-UXHICEINSA-N 1 2 336.439 1.982 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000285708325 444080846 /nfs/dbraw/zinc/08/08/46/444080846.db2.gz DAVLHZUTLWOIMY-AWEZNQCLSA-N 1 2 332.448 1.434 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000285708325 444080849 /nfs/dbraw/zinc/08/08/49/444080849.db2.gz DAVLHZUTLWOIMY-AWEZNQCLSA-N 1 2 332.448 1.434 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3ccc(C#N)cn3)ccc2n1C ZINC000559814187 321016305 /nfs/dbraw/zinc/01/63/05/321016305.db2.gz KPUUIZPLMYPFNZ-UHFFFAOYSA-N 1 2 334.339 1.726 20 30 EDEDLO Cc1nsc(N2CC[NH+](CCn3cc(Cl)cn3)CC2)c1C#N ZINC000568723527 321303501 /nfs/dbraw/zinc/30/35/01/321303501.db2.gz PFMCVPNNOPDTFL-UHFFFAOYSA-N 1 2 336.852 1.995 20 30 EDEDLO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H]1CCNC1=O ZINC000282264407 444130609 /nfs/dbraw/zinc/13/06/09/444130609.db2.gz HGTAYORBBOBMIL-KRWDZBQOSA-N 1 2 342.443 1.761 20 30 EDEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)[C@H]1CCNC1=O ZINC000282264407 444130611 /nfs/dbraw/zinc/13/06/11/444130611.db2.gz HGTAYORBBOBMIL-KRWDZBQOSA-N 1 2 342.443 1.761 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@]2(C)CCOC2=O)c(OC)c1 ZINC000289454825 444149298 /nfs/dbraw/zinc/14/92/98/444149298.db2.gz FXOISEISEMSJTG-KDOFPFPSSA-N 1 2 335.400 1.459 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301327541 444163854 /nfs/dbraw/zinc/16/38/54/444163854.db2.gz BQPQYWGWPAJCDA-UHFFFAOYSA-N 1 2 337.427 1.753 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000574179069 321473601 /nfs/dbraw/zinc/47/36/01/321473601.db2.gz KZKAFAKQCTVKJO-UHFFFAOYSA-N 1 2 332.404 1.799 20 30 EDEDLO Cc1ccc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)nc1C#N ZINC000302689759 444219873 /nfs/dbraw/zinc/21/98/73/444219873.db2.gz ZGDSOBCXISDEFW-UHFFFAOYSA-N 1 2 341.459 1.833 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccccc1C#N)C(C)(C)CO ZINC000295642963 444190978 /nfs/dbraw/zinc/19/09/78/444190978.db2.gz DONYZTPZFBQLSU-CQSZACIVSA-N 1 2 348.428 1.330 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000290429003 444279818 /nfs/dbraw/zinc/27/98/18/444279818.db2.gz RBTHDRAWUFAJRA-WMLDXEAASA-N 1 2 338.473 1.907 20 30 EDEDLO Cc1noc([C@H]2C[C@H](O)C[N@@H+]2CCCOc2ccc(C#N)cc2)n1 ZINC000328631013 444403357 /nfs/dbraw/zinc/40/33/57/444403357.db2.gz QLIIOYATDRNOSQ-GOEBONIOSA-N 1 2 328.372 1.827 20 30 EDEDLO Cc1noc([C@H]2C[C@H](O)C[N@H+]2CCCOc2ccc(C#N)cc2)n1 ZINC000328631013 444403362 /nfs/dbraw/zinc/40/33/62/444403362.db2.gz QLIIOYATDRNOSQ-GOEBONIOSA-N 1 2 328.372 1.827 20 30 EDEDLO O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328936754 444411605 /nfs/dbraw/zinc/41/16/05/444411605.db2.gz JOQJBDKSQKBAEY-CMPLNLGQSA-N 1 2 344.337 1.955 20 30 EDEDLO COc1ccc2c(c1)OC[C@@H](NC(=O)N1CCn3cc[nH+]c3C1)C2 ZINC000329029618 444450710 /nfs/dbraw/zinc/45/07/10/444450710.db2.gz WRFXYZKMAFCSTM-ZDUSSCGKSA-N 1 2 328.372 1.625 20 30 EDEDLO CCc1cnc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)s1 ZINC000331267960 444459771 /nfs/dbraw/zinc/45/97/71/444459771.db2.gz KCSYSCQGEWWEJE-ZDUSSCGKSA-N 1 2 335.477 1.588 20 30 EDEDLO CC(C)(C(=O)NC[C@@H]1CCn2ncc(C(N)=O)c2C1)[NH+]1CCOCC1 ZINC000328681632 444427672 /nfs/dbraw/zinc/42/76/72/444427672.db2.gz OGWLLBXUCBWPJP-GFCCVEGCSA-N 1 2 349.435 1.396 20 30 EDEDLO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000329012117 444444671 /nfs/dbraw/zinc/44/46/71/444444671.db2.gz ILRFCQFEEKPHFG-RBSFLKMASA-N 1 2 336.436 1.658 20 30 EDEDLO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000329012117 444444675 /nfs/dbraw/zinc/44/46/75/444444675.db2.gz ILRFCQFEEKPHFG-RBSFLKMASA-N 1 2 336.436 1.658 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@]1(C)CCCOC1 ZINC000329142371 444483034 /nfs/dbraw/zinc/48/30/34/444483034.db2.gz LEETUZUKIBJLKU-QGZVFWFLSA-N 1 2 334.420 1.931 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000329167609 444489826 /nfs/dbraw/zinc/48/98/26/444489826.db2.gz INRDEUFMTAVMGW-OCCSQVGLSA-N 1 2 341.477 1.365 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000329167609 444489828 /nfs/dbraw/zinc/48/98/28/444489828.db2.gz INRDEUFMTAVMGW-OCCSQVGLSA-N 1 2 341.477 1.365 20 30 EDEDLO CC(C)[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCS1(=O)=O ZINC000329168908 444490189 /nfs/dbraw/zinc/49/01/89/444490189.db2.gz JILLSJNYNIUZPW-BXUZGUMPSA-N 1 2 340.449 1.284 20 30 EDEDLO CC(C)[C@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCS1(=O)=O ZINC000329168908 444490191 /nfs/dbraw/zinc/49/01/91/444490191.db2.gz JILLSJNYNIUZPW-BXUZGUMPSA-N 1 2 340.449 1.284 20 30 EDEDLO CC1(C#N)CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000332036106 444497341 /nfs/dbraw/zinc/49/73/41/444497341.db2.gz PHVQXKNBWAIECL-CQSZACIVSA-N 1 2 329.400 1.568 20 30 EDEDLO C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)CC[S@]1=O ZINC000580508757 322058562 /nfs/dbraw/zinc/05/85/62/322058562.db2.gz UEIKRPGXWOSKCY-WSVYEEACSA-N 1 2 325.459 1.791 20 30 EDEDLO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)CC[S@]1=O ZINC000580508757 322058564 /nfs/dbraw/zinc/05/85/64/322058564.db2.gz UEIKRPGXWOSKCY-WSVYEEACSA-N 1 2 325.459 1.791 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)Nc2nc3cc(Cl)ccn3n2)CC1 ZINC000332111883 444501319 /nfs/dbraw/zinc/50/13/19/444501319.db2.gz AEDWVRPPKBHJKM-UHFFFAOYSA-N 1 2 347.810 1.834 20 30 EDEDLO N#CC1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000332068728 444500096 /nfs/dbraw/zinc/50/00/96/444500096.db2.gz UFJIHDMUNZIPOI-UHFFFAOYSA-N 1 2 329.404 1.363 20 30 EDEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)Nc1nccs1 ZINC000329278545 444519438 /nfs/dbraw/zinc/51/94/38/444519438.db2.gz CYJMZDAVJXBMOU-UHFFFAOYSA-N 1 2 337.449 1.413 20 30 EDEDLO O=C(NCCN1C(=O)CCCC1=O)C1CC[NH+](CC(F)F)CC1 ZINC000329297389 444525830 /nfs/dbraw/zinc/52/58/30/444525830.db2.gz UBASAQMQAINPLA-UHFFFAOYSA-N 1 2 331.363 1.459 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329375730 444554456 /nfs/dbraw/zinc/55/44/56/444554456.db2.gz LLXPPWLSXNLGOH-BZUAXINKSA-N 1 2 325.453 1.512 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CCN1C(=O)CCC1=O)C2 ZINC000329380456 444557388 /nfs/dbraw/zinc/55/73/88/444557388.db2.gz NMZJSIAJYYTULE-LBPRGKRZSA-N 1 2 346.431 1.991 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(-n4cccn4)c(F)c3)C[C@@H]21 ZINC000329449105 444583557 /nfs/dbraw/zinc/58/35/57/444583557.db2.gz DGJNNLPAEVQMFQ-JKSUJKDBSA-N 1 2 345.378 1.572 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(-n4cccn4)c(F)c3)C[C@@H]21 ZINC000329449105 444583561 /nfs/dbraw/zinc/58/35/61/444583561.db2.gz DGJNNLPAEVQMFQ-JKSUJKDBSA-N 1 2 345.378 1.572 20 30 EDEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1c(F)cncc1F ZINC000329390413 444560173 /nfs/dbraw/zinc/56/01/73/444560173.db2.gz UWXNGZIPWQMQFY-BIMULSAOSA-N 1 2 326.347 1.350 20 30 EDEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1c(F)cncc1F ZINC000329390413 444560179 /nfs/dbraw/zinc/56/01/79/444560179.db2.gz UWXNGZIPWQMQFY-BIMULSAOSA-N 1 2 326.347 1.350 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCN3CCOC[C@H]3C2)c(OC)c1 ZINC000329399441 444563757 /nfs/dbraw/zinc/56/37/57/444563757.db2.gz ASQPEHNSWJVELL-UONOGXRCSA-N 1 2 349.431 1.697 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCN3CCOC[C@H]3C2)c(OC)c1 ZINC000329399441 444563758 /nfs/dbraw/zinc/56/37/58/444563758.db2.gz ASQPEHNSWJVELL-UONOGXRCSA-N 1 2 349.431 1.697 20 30 EDEDLO C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CCCO1 ZINC000329334220 444539674 /nfs/dbraw/zinc/53/96/74/444539674.db2.gz KQEVYUWWPUNECJ-HIFRSBDPSA-N 1 2 336.436 1.913 20 30 EDEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1ccc2c(c1)OCO2 ZINC000329459281 444588306 /nfs/dbraw/zinc/58/83/06/444588306.db2.gz RPJNMGLGEHXYDA-JTQLQIEISA-N 1 2 332.316 1.080 20 30 EDEDLO Cc1nn(C)c2cc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)ccc12 ZINC000329619695 444651345 /nfs/dbraw/zinc/65/13/45/444651345.db2.gz MJJWYNQTJFJENZ-HZPDHXFCSA-N 1 2 329.404 1.442 20 30 EDEDLO Cc1nn(C)c2cc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)ccc12 ZINC000329619695 444651348 /nfs/dbraw/zinc/65/13/48/444651348.db2.gz MJJWYNQTJFJENZ-HZPDHXFCSA-N 1 2 329.404 1.442 20 30 EDEDLO C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000329633591 444657544 /nfs/dbraw/zinc/65/75/44/444657544.db2.gz WSQNZKYUKLBFJP-XHSDSOJGSA-N 1 2 347.463 1.615 20 30 EDEDLO C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000329633591 444657550 /nfs/dbraw/zinc/65/75/50/444657550.db2.gz WSQNZKYUKLBFJP-XHSDSOJGSA-N 1 2 347.463 1.615 20 30 EDEDLO CC(C)O[C@@H]1C[C@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)C1(C)C ZINC000329636206 444659406 /nfs/dbraw/zinc/65/94/06/444659406.db2.gz UXQLAYCCEHYEKC-SOUVJXGZSA-N 1 2 326.485 1.328 20 30 EDEDLO CC(C)O[C@@H]1C[C@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)C1(C)C ZINC000329636206 444659412 /nfs/dbraw/zinc/65/94/12/444659412.db2.gz UXQLAYCCEHYEKC-SOUVJXGZSA-N 1 2 326.485 1.328 20 30 EDEDLO CC[NH+]1CCN(CCNC(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)CC1 ZINC000329815501 444727376 /nfs/dbraw/zinc/72/73/76/444727376.db2.gz DMOWCJNUXJKGBW-UHFFFAOYSA-N 1 2 343.431 1.586 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](COC(F)F)C2)nc1 ZINC000343943926 444685342 /nfs/dbraw/zinc/68/53/42/444685342.db2.gz APJIKEHTADNJCJ-GFCCVEGCSA-N 1 2 345.371 1.288 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](COC(F)F)C2)nc1 ZINC000343943926 444685344 /nfs/dbraw/zinc/68/53/44/444685344.db2.gz APJIKEHTADNJCJ-GFCCVEGCSA-N 1 2 345.371 1.288 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333647899 444687639 /nfs/dbraw/zinc/68/76/39/444687639.db2.gz DKOZJVPBLJPNAK-BEFAXECRSA-N 1 2 339.443 1.983 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)C1 ZINC000333647899 444687643 /nfs/dbraw/zinc/68/76/43/444687643.db2.gz DKOZJVPBLJPNAK-BEFAXECRSA-N 1 2 339.443 1.983 20 30 EDEDLO CN(C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC000329848072 444738602 /nfs/dbraw/zinc/73/86/02/444738602.db2.gz PMBXAEYDSRLHSG-UHFFFAOYSA-N 1 2 345.447 1.889 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccnc3N3CCCC3)C[C@H]21 ZINC000329895146 444757203 /nfs/dbraw/zinc/75/72/03/444757203.db2.gz BRCMQIGJTKZKPB-HUUCEWRRSA-N 1 2 331.420 1.242 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccnc3N3CCCC3)C[C@H]21 ZINC000329895146 444757207 /nfs/dbraw/zinc/75/72/07/444757207.db2.gz BRCMQIGJTKZKPB-HUUCEWRRSA-N 1 2 331.420 1.242 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CCO2 ZINC000329896659 444757807 /nfs/dbraw/zinc/75/78/07/444757807.db2.gz COOAUQGHQCKVTC-FZKQIMNGSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CCO2 ZINC000329896659 444757809 /nfs/dbraw/zinc/75/78/09/444757809.db2.gz COOAUQGHQCKVTC-FZKQIMNGSA-N 1 2 340.383 1.988 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1csc(=O)[nH]1 ZINC000329973958 444794962 /nfs/dbraw/zinc/79/49/62/444794962.db2.gz ZVJSEEBKHPDYPL-UWVGGRQHSA-N 1 2 339.396 1.499 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCCO1 ZINC000329994542 444803678 /nfs/dbraw/zinc/80/36/78/444803678.db2.gz ZIKLXRUZGXKHCG-NSHDSACASA-N 1 2 334.355 1.500 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCCO1 ZINC000329994542 444803681 /nfs/dbraw/zinc/80/36/81/444803681.db2.gz ZIKLXRUZGXKHCG-NSHDSACASA-N 1 2 334.355 1.500 20 30 EDEDLO CCN1CCN(C(=O)NC[C@@H]2CCO[C@H](C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329959049 444787159 /nfs/dbraw/zinc/78/71/59/444787159.db2.gz MXCXEWHWKBBKET-KFWWJZLASA-N 1 2 335.452 1.817 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3C#N)C[C@H]21 ZINC000329965309 444790557 /nfs/dbraw/zinc/79/05/57/444790557.db2.gz QZRROLYWSIXCIA-HUUCEWRRSA-N 1 2 334.807 1.165 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3C#N)C[C@H]21 ZINC000329965309 444790559 /nfs/dbraw/zinc/79/05/59/444790559.db2.gz QZRROLYWSIXCIA-HUUCEWRRSA-N 1 2 334.807 1.165 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCCCS1(=O)=O)CCC2 ZINC000330071611 444833840 /nfs/dbraw/zinc/83/38/40/444833840.db2.gz YGQJPPJPVWITSK-QWHCGFSZSA-N 1 2 325.434 1.993 20 30 EDEDLO C=CCC1(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)CCC1 ZINC000330083452 444838743 /nfs/dbraw/zinc/83/87/43/444838743.db2.gz HJPLOCDBJKYTIR-MRXNPFEDSA-N 1 2 349.475 1.124 20 30 EDEDLO O=C(NCc1cccc(N2CCOCC2)n1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330150132 444863528 /nfs/dbraw/zinc/86/35/28/444863528.db2.gz KNWCTLDFAJURJS-CQSZACIVSA-N 1 2 341.415 1.834 20 30 EDEDLO C[C@H](C(=O)NCC[NH+]1CCCCCC1)S(=O)(=O)C1CCOCC1 ZINC000330058435 444828746 /nfs/dbraw/zinc/82/87/46/444828746.db2.gz YYVJOMVKOOKSRK-CQSZACIVSA-N 1 2 346.493 1.801 20 30 EDEDLO COCC1(C#N)CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000341568047 444899029 /nfs/dbraw/zinc/89/90/29/444899029.db2.gz OUROEKWUOYVIKW-UHFFFAOYSA-N 1 2 331.420 1.845 20 30 EDEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330263935 444913841 /nfs/dbraw/zinc/91/38/41/444913841.db2.gz XGDSEVNTFYXWEF-CYBMUJFWSA-N 1 2 342.465 1.135 20 30 EDEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000330263935 444913844 /nfs/dbraw/zinc/91/38/44/444913844.db2.gz XGDSEVNTFYXWEF-CYBMUJFWSA-N 1 2 342.465 1.135 20 30 EDEDLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330270412 444916638 /nfs/dbraw/zinc/91/66/38/444916638.db2.gz UDICJYQPXRCOLZ-CJNGLKHVSA-N 1 2 347.463 1.886 20 30 EDEDLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330270412 444916642 /nfs/dbraw/zinc/91/66/42/444916642.db2.gz UDICJYQPXRCOLZ-CJNGLKHVSA-N 1 2 347.463 1.886 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330412717 444970921 /nfs/dbraw/zinc/97/09/21/444970921.db2.gz MDCMEMCIJYURGV-DAYGRLMNSA-N 1 2 336.480 1.666 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330412717 444970924 /nfs/dbraw/zinc/97/09/24/444970924.db2.gz MDCMEMCIJYURGV-DAYGRLMNSA-N 1 2 336.480 1.666 20 30 EDEDLO O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330311102 444932205 /nfs/dbraw/zinc/93/22/05/444932205.db2.gz NRQWTYBAUABUIL-GFCCVEGCSA-N 1 2 345.403 1.614 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(c2nccc(C#N)c2Cl)C1 ZINC000342994600 444995028 /nfs/dbraw/zinc/99/50/28/444995028.db2.gz YXAUAEWHGRYYEA-LBPRGKRZSA-N 1 2 343.822 1.690 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(c2nccc(C#N)c2Cl)C1 ZINC000342994600 444995034 /nfs/dbraw/zinc/99/50/34/444995034.db2.gz YXAUAEWHGRYYEA-LBPRGKRZSA-N 1 2 343.822 1.690 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000341820073 445016766 /nfs/dbraw/zinc/01/67/66/445016766.db2.gz KNWAHAKDIIDOQF-ROUUACIJSA-N 1 2 347.459 1.371 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000341820073 445016772 /nfs/dbraw/zinc/01/67/72/445016772.db2.gz KNWAHAKDIIDOQF-ROUUACIJSA-N 1 2 347.459 1.371 20 30 EDEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(C#N)[nH]2)cc1 ZINC000337372553 445052343 /nfs/dbraw/zinc/05/23/43/445052343.db2.gz DJXLRGFFRYGDTA-SFHVURJKSA-N 1 2 338.411 1.998 20 30 EDEDLO N#Cc1ccc(C(=O)NCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000339155315 445061024 /nfs/dbraw/zinc/06/10/24/445061024.db2.gz RLDVWSGCZILBHP-UHFFFAOYSA-N 1 2 337.383 1.417 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000343069539 445041018 /nfs/dbraw/zinc/04/10/18/445041018.db2.gz ZYSHHNCBMREZIW-SFHVURJKSA-N 1 2 335.411 1.610 20 30 EDEDLO CC[NH+]1CCC(N(C)C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000330727754 445114323 /nfs/dbraw/zinc/11/43/23/445114323.db2.gz IJRVUKSDVRQOHN-UHFFFAOYSA-N 1 2 334.445 1.937 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@H](C(C)C)C2)CC1 ZINC000330728921 445115261 /nfs/dbraw/zinc/11/52/61/445115261.db2.gz HCAPWDPCOYWWLM-IRXDYDNUSA-N 1 2 336.480 1.036 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@H](C(C)C)C2)CC1 ZINC000330728921 445115264 /nfs/dbraw/zinc/11/52/64/445115264.db2.gz HCAPWDPCOYWWLM-IRXDYDNUSA-N 1 2 336.480 1.036 20 30 EDEDLO COCC1(C#N)CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000342023703 445129227 /nfs/dbraw/zinc/12/92/27/445129227.db2.gz UCTRUFZXALBUOS-CQSZACIVSA-N 1 2 344.440 1.977 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cc(C#N)ccn3)c[nH+]2)CCO1 ZINC000339441275 445142808 /nfs/dbraw/zinc/14/28/08/445142808.db2.gz REPMMSIKGVTYSX-CYBMUJFWSA-N 1 2 337.383 1.503 20 30 EDEDLO CC(C)CCO[C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346509448 445217248 /nfs/dbraw/zinc/21/72/48/445217248.db2.gz LUTSCWQZGSWWOG-MRXNPFEDSA-N 1 2 325.453 1.512 20 30 EDEDLO C=CCN(C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000343321367 445197619 /nfs/dbraw/zinc/19/76/19/445197619.db2.gz WQKCKSXUNDRTPT-CQSZACIVSA-N 1 2 348.428 1.850 20 30 EDEDLO CC(C)(C#N)CC[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000345757187 445198085 /nfs/dbraw/zinc/19/80/85/445198085.db2.gz RWHKFUUQPUCWRS-AWEZNQCLSA-N 1 2 341.411 1.923 20 30 EDEDLO CC(C)(C#N)CC[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000345757187 445198088 /nfs/dbraw/zinc/19/80/88/445198088.db2.gz RWHKFUUQPUCWRS-AWEZNQCLSA-N 1 2 341.411 1.923 20 30 EDEDLO CC(C)[C@H](C#N)NC(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000347076455 445230956 /nfs/dbraw/zinc/23/09/56/445230956.db2.gz MBJLOQNNQQTOMI-GRDNDAEWSA-N 1 2 343.431 1.527 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000362412019 445368082 /nfs/dbraw/zinc/36/80/82/445368082.db2.gz XKGRNPVRLSYMMV-KRWDZBQOSA-N 1 2 349.475 1.290 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000362412019 445368086 /nfs/dbraw/zinc/36/80/86/445368086.db2.gz XKGRNPVRLSYMMV-KRWDZBQOSA-N 1 2 349.475 1.290 20 30 EDEDLO COC(=O)c1cc(C(C)(C)[NH2+]CC(=O)Nc2cccc(C#N)c2)no1 ZINC000351993327 445424738 /nfs/dbraw/zinc/42/47/38/445424738.db2.gz IFVGCXREHYBWTJ-UHFFFAOYSA-N 1 2 342.355 1.796 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1 ZINC000360024040 445533308 /nfs/dbraw/zinc/53/33/08/445533308.db2.gz MPIBSDVPONYHHR-CYBMUJFWSA-N 1 2 348.403 1.750 20 30 EDEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O ZINC000352720730 445550735 /nfs/dbraw/zinc/55/07/35/445550735.db2.gz NBDWKWPPXQSFNS-UHFFFAOYSA-N 1 2 346.387 1.057 20 30 EDEDLO C=CC[N@H+](CCc1ccco1)CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O ZINC000352720730 445550738 /nfs/dbraw/zinc/55/07/38/445550738.db2.gz NBDWKWPPXQSFNS-UHFFFAOYSA-N 1 2 346.387 1.057 20 30 EDEDLO C=CCNc1nnc(SC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000353330492 445589054 /nfs/dbraw/zinc/58/90/54/445589054.db2.gz LCGSEQIHMDRUIC-IJLUTSLNSA-N 1 2 344.506 1.698 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)C[C@H]21 ZINC000349311711 445560356 /nfs/dbraw/zinc/56/03/56/445560356.db2.gz JYQQQJZOLZZAOX-ZIAGYGMSSA-N 1 2 331.420 1.661 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)C[C@H]21 ZINC000349311711 445560359 /nfs/dbraw/zinc/56/03/59/445560359.db2.gz JYQQQJZOLZZAOX-ZIAGYGMSSA-N 1 2 331.420 1.661 20 30 EDEDLO C=CCNC(=O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC000353164401 445577827 /nfs/dbraw/zinc/57/78/27/445577827.db2.gz GMBMKTXEZSTECZ-QWRGUYRKSA-N 1 2 336.354 1.741 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC000353164401 445577829 /nfs/dbraw/zinc/57/78/29/445577829.db2.gz GMBMKTXEZSTECZ-QWRGUYRKSA-N 1 2 336.354 1.741 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000349503270 445600777 /nfs/dbraw/zinc/60/07/77/445600777.db2.gz ALEVXCPHJZANTH-UHFFFAOYSA-N 1 2 325.372 1.847 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1c(F)cccc1C#N ZINC000356071354 445602565 /nfs/dbraw/zinc/60/25/65/445602565.db2.gz UKCGKOBCQRNNMO-UKRRQHHQSA-N 1 2 331.391 1.561 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1C#N ZINC000349888931 445713850 /nfs/dbraw/zinc/71/38/50/445713850.db2.gz JIYJXORJEVQDJI-UHFFFAOYSA-N 1 2 338.390 1.933 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@H](F)C[C@@H]1CNC(=O)NCCCC#N ZINC000349899296 445716068 /nfs/dbraw/zinc/71/60/68/445716068.db2.gz VKZRBAOMZSQHCX-ZIAGYGMSSA-N 1 2 337.399 1.807 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@H](F)C[C@@H]1CNC(=O)NCCCC#N ZINC000349899296 445716072 /nfs/dbraw/zinc/71/60/72/445716072.db2.gz VKZRBAOMZSQHCX-ZIAGYGMSSA-N 1 2 337.399 1.807 20 30 EDEDLO C=CCCCCNC(=O)NC[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000349906131 445717516 /nfs/dbraw/zinc/71/75/16/445717516.db2.gz GNFJNICWEOOBGW-LSDHHAIUSA-N 1 2 337.443 1.988 20 30 EDEDLO CC(C)C(=O)N1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000361578468 445828298 /nfs/dbraw/zinc/82/82/98/445828298.db2.gz YEXCUJFGWUONEM-UHFFFAOYSA-N 1 2 342.443 1.365 20 30 EDEDLO CC(C)C(=O)N1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000361578468 445828303 /nfs/dbraw/zinc/82/83/03/445828303.db2.gz YEXCUJFGWUONEM-UHFFFAOYSA-N 1 2 342.443 1.365 20 30 EDEDLO CN(C)c1ncc(C[N@H+](C)CC(=O)NCc2cccc(C#N)c2)cn1 ZINC000356462766 445803411 /nfs/dbraw/zinc/80/34/11/445803411.db2.gz UXXCMLSRXKFSJQ-UHFFFAOYSA-N 1 2 338.415 1.162 20 30 EDEDLO CN(C)c1ncc(C[N@@H+](C)CC(=O)NCc2cccc(C#N)c2)cn1 ZINC000356462766 445803415 /nfs/dbraw/zinc/80/34/15/445803415.db2.gz UXXCMLSRXKFSJQ-UHFFFAOYSA-N 1 2 338.415 1.162 20 30 EDEDLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000363440866 445803970 /nfs/dbraw/zinc/80/39/70/445803970.db2.gz DPYQNPPKAIQYOY-UHFFFAOYSA-N 1 2 329.404 1.038 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361691548 445880278 /nfs/dbraw/zinc/88/02/78/445880278.db2.gz DXQQWUGIGAOFJA-AWEZNQCLSA-N 1 2 325.409 1.601 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361691548 445880284 /nfs/dbraw/zinc/88/02/84/445880284.db2.gz DXQQWUGIGAOFJA-AWEZNQCLSA-N 1 2 325.409 1.601 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2Cn2cncn2)c1 ZINC000363502284 445835015 /nfs/dbraw/zinc/83/50/15/445835015.db2.gz JXXSCOLCFVVGGB-HNNXBMFYSA-N 1 2 345.428 1.088 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2Cn2cncn2)c1 ZINC000363502284 445835020 /nfs/dbraw/zinc/83/50/20/445835020.db2.gz JXXSCOLCFVVGGB-HNNXBMFYSA-N 1 2 345.428 1.088 20 30 EDEDLO C=CC[N@@H+](Cc1ccc2c(c1)oc(=O)n2C)[C@@H]1CCS(=O)(=O)C1 ZINC000350628136 445862757 /nfs/dbraw/zinc/86/27/57/445862757.db2.gz HUFABPZGVRKLJW-CYBMUJFWSA-N 1 2 336.413 1.307 20 30 EDEDLO C=CC[N@H+](Cc1ccc2c(c1)oc(=O)n2C)[C@@H]1CCS(=O)(=O)C1 ZINC000350628136 445862764 /nfs/dbraw/zinc/86/27/64/445862764.db2.gz HUFABPZGVRKLJW-CYBMUJFWSA-N 1 2 336.413 1.307 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000364025438 445891609 /nfs/dbraw/zinc/89/16/09/445891609.db2.gz KYGGJUWWYPKMHJ-GFCCVEGCSA-N 1 2 335.408 1.384 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000364025438 445891612 /nfs/dbraw/zinc/89/16/12/445891612.db2.gz KYGGJUWWYPKMHJ-GFCCVEGCSA-N 1 2 335.408 1.384 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCC2)[C@H](c2ccccc2)C1 ZINC000354125573 445923108 /nfs/dbraw/zinc/92/31/08/445923108.db2.gz RYQJTCCSDIQDDX-INIZCTEOSA-N 1 2 333.457 1.999 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCC2)[C@H](c2ccccc2)C1 ZINC000354125573 445923110 /nfs/dbraw/zinc/92/31/10/445923110.db2.gz RYQJTCCSDIQDDX-INIZCTEOSA-N 1 2 333.457 1.999 20 30 EDEDLO C=CCN1CC[C@H]([NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)C1=O ZINC000369147480 445954069 /nfs/dbraw/zinc/95/40/69/445954069.db2.gz JWOMCODFVKKARK-QWRGUYRKSA-N 1 2 343.353 1.279 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CCCn3cc[nH+]c32)n1 ZINC000365117646 446035993 /nfs/dbraw/zinc/03/59/93/446035993.db2.gz DPGKTUITOLRQHE-OAHLLOKOSA-N 1 2 340.431 1.822 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000365361282 446168042 /nfs/dbraw/zinc/16/80/42/446168042.db2.gz XVHLMGFOANWOPF-HZPDHXFCSA-N 1 2 328.372 1.258 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC000365361282 446168047 /nfs/dbraw/zinc/16/80/47/446168047.db2.gz XVHLMGFOANWOPF-HZPDHXFCSA-N 1 2 328.372 1.258 20 30 EDEDLO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370318956 446228389 /nfs/dbraw/zinc/22/83/89/446228389.db2.gz ZOBJYOHTEGCIEU-UHFFFAOYSA-N 1 2 343.431 1.563 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000362207345 446262737 /nfs/dbraw/zinc/26/27/37/446262737.db2.gz JXNVYHLOYBHOJO-HNNXBMFYSA-N 1 2 327.428 1.769 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000366590144 446271731 /nfs/dbraw/zinc/27/17/31/446271731.db2.gz LIOKTKGQKAKTFQ-KBXCAEBGSA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000366590144 446271737 /nfs/dbraw/zinc/27/17/37/446271737.db2.gz LIOKTKGQKAKTFQ-KBXCAEBGSA-N 1 2 329.400 1.767 20 30 EDEDLO N#Cc1cccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)c1 ZINC000370567963 446335253 /nfs/dbraw/zinc/33/52/53/446335253.db2.gz FPWPIFWPVHUXJM-SFHVURJKSA-N 1 2 344.415 1.561 20 30 EDEDLO CCc1nc(C[NH+]2C[C@H]3CN(c4nc(C)cc(C#N)n4)C[C@@H]3C2)no1 ZINC000376106621 446338373 /nfs/dbraw/zinc/33/83/73/446338373.db2.gz KPIJYUJMRWFGQV-STQMWFEESA-N 1 2 339.403 1.170 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000370579878 446341000 /nfs/dbraw/zinc/34/10/00/446341000.db2.gz OGKQGJNRGLCEOM-UHFFFAOYSA-N 1 2 336.823 1.926 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(c3c(Cl)cccc3C#N)CC2)C(=O)C1 ZINC000374799758 446398512 /nfs/dbraw/zinc/39/85/12/446398512.db2.gz NNIAUSZEWOULKN-UHFFFAOYSA-N 1 2 332.835 1.954 20 30 EDEDLO C[N@H+]1CCN(C2CCN(c3c(Cl)cccc3C#N)CC2)C(=O)C1 ZINC000374799758 446398513 /nfs/dbraw/zinc/39/85/13/446398513.db2.gz NNIAUSZEWOULKN-UHFFFAOYSA-N 1 2 332.835 1.954 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000376340332 446439540 /nfs/dbraw/zinc/43/95/40/446439540.db2.gz KNTLSMRHBAQLMX-HNNXBMFYSA-N 1 2 336.395 1.524 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000366934692 446416899 /nfs/dbraw/zinc/41/68/99/446416899.db2.gz QWMHIFNDAFGLMF-LJQANCHMSA-N 1 2 343.427 1.969 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000366934692 446416901 /nfs/dbraw/zinc/41/69/01/446416901.db2.gz QWMHIFNDAFGLMF-LJQANCHMSA-N 1 2 343.427 1.969 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000411187256 446420934 /nfs/dbraw/zinc/42/09/34/446420934.db2.gz PQUOXVQFWNQGRU-HOCLYGCPSA-N 1 2 347.434 1.926 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000411187256 446420936 /nfs/dbraw/zinc/42/09/36/446420936.db2.gz PQUOXVQFWNQGRU-HOCLYGCPSA-N 1 2 347.434 1.926 20 30 EDEDLO N#Cc1cscc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000432398759 446463339 /nfs/dbraw/zinc/46/33/39/446463339.db2.gz DYIOPZXUMPMPQI-HNNXBMFYSA-N 1 2 337.470 1.557 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000433261139 446552460 /nfs/dbraw/zinc/55/24/60/446552460.db2.gz MSWQFOXDFJZKOI-YAEBDLLGSA-N 1 2 337.485 1.855 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000433261139 446552467 /nfs/dbraw/zinc/55/24/67/446552467.db2.gz MSWQFOXDFJZKOI-YAEBDLLGSA-N 1 2 337.485 1.855 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000453643648 446577678 /nfs/dbraw/zinc/57/76/78/446577678.db2.gz PNALQFKFRWDBQE-KBPBESRZSA-N 1 2 344.415 1.031 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000453682921 446596771 /nfs/dbraw/zinc/59/67/71/446596771.db2.gz BABVCZPJQLKCMZ-CQSZACIVSA-N 1 2 337.383 1.555 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000367848462 446599454 /nfs/dbraw/zinc/59/94/54/446599454.db2.gz LJQGDKHUSPJOQJ-OALUTQOASA-N 1 2 341.455 1.737 20 30 EDEDLO Cc1nc(CO[C@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)cs1 ZINC000375397087 446771537 /nfs/dbraw/zinc/77/15/37/446771537.db2.gz ZSWOAMJDAIIGRM-RDJZCZTQSA-N 1 2 348.472 1.851 20 30 EDEDLO Cc1nc(CO[C@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)cs1 ZINC000375397087 446771544 /nfs/dbraw/zinc/77/15/44/446771544.db2.gz ZSWOAMJDAIIGRM-RDJZCZTQSA-N 1 2 348.472 1.851 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411977184 446772003 /nfs/dbraw/zinc/77/20/03/446772003.db2.gz FNWLZHIIWDUDFR-AUUYWEPGSA-N 1 2 341.411 1.857 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411977184 446772009 /nfs/dbraw/zinc/77/20/09/446772009.db2.gz FNWLZHIIWDUDFR-AUUYWEPGSA-N 1 2 341.411 1.857 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCOC)[C@H]1CCCc2cccnc21 ZINC000368371306 446819004 /nfs/dbraw/zinc/81/90/04/446819004.db2.gz PIUPYILRVUWDNV-HNNXBMFYSA-N 1 2 346.431 1.419 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](CCOC)[C@H]1CCCc2cccnc21 ZINC000368371306 446819007 /nfs/dbraw/zinc/81/90/07/446819007.db2.gz PIUPYILRVUWDNV-HNNXBMFYSA-N 1 2 346.431 1.419 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375465611 446820095 /nfs/dbraw/zinc/82/00/95/446820095.db2.gz OYCFYCJYYFEPNI-GUYCJALGSA-N 1 2 331.420 1.791 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375465611 446820103 /nfs/dbraw/zinc/82/01/03/446820103.db2.gz OYCFYCJYYFEPNI-GUYCJALGSA-N 1 2 331.420 1.791 20 30 EDEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412373212 446949182 /nfs/dbraw/zinc/94/91/82/446949182.db2.gz RTFZSGNRKLCWJC-CQSZACIVSA-N 1 2 347.415 1.261 20 30 EDEDLO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412373212 446949187 /nfs/dbraw/zinc/94/91/87/446949187.db2.gz RTFZSGNRKLCWJC-CQSZACIVSA-N 1 2 347.415 1.261 20 30 EDEDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000375743400 447016502 /nfs/dbraw/zinc/01/65/02/447016502.db2.gz KXCLIRPZYXGGGK-UHFFFAOYSA-N 1 2 344.477 1.759 20 30 EDEDLO CCNC(=O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000413051114 446988563 /nfs/dbraw/zinc/98/85/63/446988563.db2.gz VZNGORHAZDDCAY-UHFFFAOYSA-N 1 2 331.376 1.033 20 30 EDEDLO Cc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413147081 447032811 /nfs/dbraw/zinc/03/28/11/447032811.db2.gz YPBIFERYUGORME-UHFFFAOYSA-N 1 2 326.360 1.820 20 30 EDEDLO C#CCCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(C)no2)CC1 ZINC000377379515 447100457 /nfs/dbraw/zinc/10/04/57/447100457.db2.gz OYBIFVAATFBBJU-UHFFFAOYSA-N 1 2 325.434 1.232 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000377384255 447103619 /nfs/dbraw/zinc/10/36/19/447103619.db2.gz VTVMRQRDXAOEQQ-QGZVFWFLSA-N 1 2 343.408 1.936 20 30 EDEDLO N#CCOc1ccc(CC(=O)Nc2c[nH+]ccc2-n2ccnn2)cc1 ZINC000377432132 447129032 /nfs/dbraw/zinc/12/90/32/447129032.db2.gz FPCZYTKPFKGHLW-UHFFFAOYSA-N 1 2 334.339 1.746 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)C1CC1 ZINC000444735314 447132808 /nfs/dbraw/zinc/13/28/08/447132808.db2.gz OYABEELSBAFDHM-LEWSCRJBSA-N 1 2 333.354 1.430 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)C1CC1 ZINC000444735314 447132818 /nfs/dbraw/zinc/13/28/18/447132818.db2.gz OYABEELSBAFDHM-LEWSCRJBSA-N 1 2 333.354 1.430 20 30 EDEDLO Cn1cc(C[N@@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)cc1C#N ZINC000377674873 447288125 /nfs/dbraw/zinc/28/81/25/447288125.db2.gz KGZFEJLHEQDJCD-MRXNPFEDSA-N 1 2 349.394 1.581 20 30 EDEDLO Cn1cc(C[N@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)cc1C#N ZINC000377674873 447288136 /nfs/dbraw/zinc/28/81/36/447288136.db2.gz KGZFEJLHEQDJCD-MRXNPFEDSA-N 1 2 349.394 1.581 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)c1ccccc1 ZINC000372736984 447258851 /nfs/dbraw/zinc/25/88/51/447258851.db2.gz HOEHHHKNXBKUQU-QILLFSRXSA-N 1 2 340.427 1.519 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)c1ccccc1 ZINC000372736984 447258860 /nfs/dbraw/zinc/25/88/60/447258860.db2.gz HOEHHHKNXBKUQU-QILLFSRXSA-N 1 2 340.427 1.519 20 30 EDEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3nccc(C#N)n3)CC2)C1 ZINC000450325151 447456609 /nfs/dbraw/zinc/45/66/09/447456609.db2.gz CBBUPMZDBLLEJS-CABCVRRESA-N 1 2 342.447 1.165 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000416437719 447602911 /nfs/dbraw/zinc/60/29/11/447602911.db2.gz IAUMGNOSINAUDW-HONMWMINSA-N 1 2 327.837 1.917 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000416437719 447602917 /nfs/dbraw/zinc/60/29/17/447602917.db2.gz IAUMGNOSINAUDW-HONMWMINSA-N 1 2 327.837 1.917 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000416472065 447615641 /nfs/dbraw/zinc/61/56/41/447615641.db2.gz RZXNPFGVBBBYBC-UKRRQHHQSA-N 1 2 339.486 1.435 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000416472065 447615646 /nfs/dbraw/zinc/61/56/46/447615646.db2.gz RZXNPFGVBBBYBC-UKRRQHHQSA-N 1 2 339.486 1.435 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1ccnn1CC[NH+](C)C ZINC000451047543 447661116 /nfs/dbraw/zinc/66/11/16/447661116.db2.gz TUTOACRBAYJGJS-UHFFFAOYSA-N 1 2 349.416 1.126 20 30 EDEDLO COC(=O)c1csc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000451053976 447662553 /nfs/dbraw/zinc/66/25/53/447662553.db2.gz GQZBORFPHCKFKX-LBPRGKRZSA-N 1 2 344.396 1.850 20 30 EDEDLO COC(=O)c1csc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000451053976 447662557 /nfs/dbraw/zinc/66/25/57/447662557.db2.gz GQZBORFPHCKFKX-LBPRGKRZSA-N 1 2 344.396 1.850 20 30 EDEDLO C[C@H](NC(=O)CNC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000459462362 447675504 /nfs/dbraw/zinc/67/55/04/447675504.db2.gz JLIXTTOHBVEPNR-BJJXKVORSA-N 1 2 346.406 1.401 20 30 EDEDLO CO[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1O ZINC000451753381 447750348 /nfs/dbraw/zinc/75/03/48/447750348.db2.gz ZPCHCFXPBJQHDQ-HUUCEWRRSA-N 1 2 337.807 1.278 20 30 EDEDLO CO[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1O ZINC000451753381 447750352 /nfs/dbraw/zinc/75/03/52/447750352.db2.gz ZPCHCFXPBJQHDQ-HUUCEWRRSA-N 1 2 337.807 1.278 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@](C)(CC(=O)OC)c1ccccn1 ZINC000429669137 447755406 /nfs/dbraw/zinc/75/54/06/447755406.db2.gz BXEIAGHOIPLZGU-SFHVURJKSA-N 1 2 333.432 1.874 20 30 EDEDLO COCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCO[C@@H]1C ZINC000489514043 447861697 /nfs/dbraw/zinc/86/16/97/447861697.db2.gz PZEWHHIHULTHBI-HIFRSBDPSA-N 1 2 335.404 1.832 20 30 EDEDLO COCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCO[C@@H]1C ZINC000489514043 447861700 /nfs/dbraw/zinc/86/17/00/447861700.db2.gz PZEWHHIHULTHBI-HIFRSBDPSA-N 1 2 335.404 1.832 20 30 EDEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+](CC(=O)N[C@H](C)CC)CC1 ZINC000549286862 447871262 /nfs/dbraw/zinc/87/12/62/447871262.db2.gz CHMVCTDRKJFVTK-OAHLLOKOSA-N 1 2 348.495 1.453 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(CC)c(S(C)(=O)=O)c1 ZINC000490891362 447905065 /nfs/dbraw/zinc/90/50/65/447905065.db2.gz DPJQXDILZQSKRT-MRXNPFEDSA-N 1 2 349.452 1.907 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(CC)c(S(C)(=O)=O)c1 ZINC000490891362 447905067 /nfs/dbraw/zinc/90/50/67/447905067.db2.gz DPJQXDILZQSKRT-MRXNPFEDSA-N 1 2 349.452 1.907 20 30 EDEDLO Cc1c(CN(C)CC#CC[N@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000551735008 447906567 /nfs/dbraw/zinc/90/65/67/447906567.db2.gz CAGHGVGZOJUISX-UHFFFAOYSA-N 1 2 328.464 1.338 20 30 EDEDLO Cc1c(CN(C)CC#CC[N@@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000551735008 447906570 /nfs/dbraw/zinc/90/65/70/447906570.db2.gz CAGHGVGZOJUISX-UHFFFAOYSA-N 1 2 328.464 1.338 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000491167130 447946388 /nfs/dbraw/zinc/94/63/88/447946388.db2.gz WHGHGSQQJXRBAH-UHFFFAOYSA-N 1 2 333.388 1.495 20 30 EDEDLO C[N@H+](CCNC(=O)OC(C)(C)C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000496838638 447956696 /nfs/dbraw/zinc/95/66/96/447956696.db2.gz OKJHRYDMOPUUSO-AWEZNQCLSA-N 1 2 332.404 1.541 20 30 EDEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000496838638 447956699 /nfs/dbraw/zinc/95/66/99/447956699.db2.gz OKJHRYDMOPUUSO-AWEZNQCLSA-N 1 2 332.404 1.541 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCO2)CC1 ZINC000491120854 447929172 /nfs/dbraw/zinc/92/91/72/447929172.db2.gz OCDXBICSVPMKHA-HNNXBMFYSA-N 1 2 331.464 1.510 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(SC)c(OC)c2)CC1 ZINC000491125044 447931886 /nfs/dbraw/zinc/93/18/86/447931886.db2.gz ASQPHNQRFAXFFB-UHFFFAOYSA-N 1 2 347.484 1.284 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(SC)c(OC)c2)CC1 ZINC000491125044 447931888 /nfs/dbraw/zinc/93/18/88/447931888.db2.gz ASQPHNQRFAXFFB-UHFFFAOYSA-N 1 2 347.484 1.284 20 30 EDEDLO C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000491242679 447970282 /nfs/dbraw/zinc/97/02/82/447970282.db2.gz RPYIBSOXXGYULD-CQSZACIVSA-N 1 2 344.415 1.083 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)OC[C@H]2c2ccccc2)CC1 ZINC000491241721 447970306 /nfs/dbraw/zinc/97/03/06/447970306.db2.gz LINDQNWSUARRNT-MJGOQNOKSA-N 1 2 341.455 1.226 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000491430015 448026243 /nfs/dbraw/zinc/02/62/43/448026243.db2.gz XBATWTKMYKJWIW-HNNXBMFYSA-N 1 2 342.443 1.801 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2c(F)cccc2F)n1 ZINC000491465350 448035225 /nfs/dbraw/zinc/03/52/25/448035225.db2.gz WFGFXUTYRWEPBC-QGZVFWFLSA-N 1 2 349.381 1.977 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2c(F)cccc2F)n1 ZINC000491465350 448035230 /nfs/dbraw/zinc/03/52/30/448035230.db2.gz WFGFXUTYRWEPBC-QGZVFWFLSA-N 1 2 349.381 1.977 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000570687872 448051118 /nfs/dbraw/zinc/05/11/18/448051118.db2.gz QPMHZKCNDUFDGY-IBGZPJMESA-N 1 2 344.459 1.923 20 30 EDEDLO C#CCn1ccc(CN(CC)c2cc(N3CCOCC3)[nH+]cn2)n1 ZINC000491655831 448074088 /nfs/dbraw/zinc/07/40/88/448074088.db2.gz RGSYLOFPYBUSCX-UHFFFAOYSA-N 1 2 326.404 1.169 20 30 EDEDLO C#CCn1ccc(CN(CC)c2cc(N3CCOCC3)nc[nH+]2)n1 ZINC000491655831 448074097 /nfs/dbraw/zinc/07/40/97/448074097.db2.gz RGSYLOFPYBUSCX-UHFFFAOYSA-N 1 2 326.404 1.169 20 30 EDEDLO C=C(C)CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496980954 448095106 /nfs/dbraw/zinc/09/51/06/448095106.db2.gz SOLZPPPYWYUQAK-CYBMUJFWSA-N 1 2 326.441 1.413 20 30 EDEDLO C=C(C)CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496980954 448095110 /nfs/dbraw/zinc/09/51/10/448095110.db2.gz SOLZPPPYWYUQAK-CYBMUJFWSA-N 1 2 326.441 1.413 20 30 EDEDLO CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)S(=O)(=O)c1ccc(C#N)cc1 ZINC000576612127 448097786 /nfs/dbraw/zinc/09/77/86/448097786.db2.gz QGPNFWPHZSWWHU-GASCZTMLSA-N 1 2 335.429 1.042 20 30 EDEDLO CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)S(=O)(=O)c1ccc(C#N)cc1 ZINC000576612127 448097793 /nfs/dbraw/zinc/09/77/93/448097793.db2.gz QGPNFWPHZSWWHU-GASCZTMLSA-N 1 2 335.429 1.042 20 30 EDEDLO C=CCN(C)C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000527095631 448157740 /nfs/dbraw/zinc/15/77/40/448157740.db2.gz GBFIOHMREQZWSP-CQSZACIVSA-N 1 2 331.416 1.663 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000497071028 448174112 /nfs/dbraw/zinc/17/41/12/448174112.db2.gz KBKJCNROPZXRCH-MRXNPFEDSA-N 1 2 347.459 1.553 20 30 EDEDLO Cc1csc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)n1 ZINC000527300174 448205558 /nfs/dbraw/zinc/20/55/58/448205558.db2.gz UGHGZHMUAWNCLV-ZDUSSCGKSA-N 1 2 333.461 1.525 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)CCC1 ZINC000560265384 448213432 /nfs/dbraw/zinc/21/34/32/448213432.db2.gz WJPZOOHJAZGJGC-YJBOKZPZSA-N 1 2 331.391 1.349 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)CCC1 ZINC000560265384 448213434 /nfs/dbraw/zinc/21/34/34/448213434.db2.gz WJPZOOHJAZGJGC-YJBOKZPZSA-N 1 2 331.391 1.349 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c1C#N ZINC000591054802 448246423 /nfs/dbraw/zinc/24/64/23/448246423.db2.gz CRVGTKBFCLRBKH-KBXCAEBGSA-N 1 2 326.400 1.228 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1C#N ZINC000591054802 448246425 /nfs/dbraw/zinc/24/64/25/448246425.db2.gz CRVGTKBFCLRBKH-KBXCAEBGSA-N 1 2 326.400 1.228 20 30 EDEDLO N#Cc1c(F)cccc1N1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000591138902 448270861 /nfs/dbraw/zinc/27/08/61/448270861.db2.gz MKUKPDZSNAAXNK-UHFFFAOYSA-N 1 2 340.362 1.618 20 30 EDEDLO N#Cc1c(F)cccc1N1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000591138902 448270868 /nfs/dbraw/zinc/27/08/68/448270868.db2.gz MKUKPDZSNAAXNK-UHFFFAOYSA-N 1 2 340.362 1.618 20 30 EDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000591068338 448252633 /nfs/dbraw/zinc/25/26/33/448252633.db2.gz IFMIYGCCECYXKE-OKZBNKHCSA-N 1 2 325.412 1.595 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000565170653 448357409 /nfs/dbraw/zinc/35/74/09/448357409.db2.gz LFCKMRVHDQFANU-LLVKDONJSA-N 1 2 331.355 1.330 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000565959222 448385652 /nfs/dbraw/zinc/38/56/52/448385652.db2.gz JXRRIXXLAABXQR-INIZCTEOSA-N 1 2 325.416 1.813 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000577927944 448416654 /nfs/dbraw/zinc/41/66/54/448416654.db2.gz IZHMAKKDFLQWEX-SKDZVZGDSA-N 1 2 329.400 1.355 20 30 EDEDLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000577927944 448416661 /nfs/dbraw/zinc/41/66/61/448416661.db2.gz IZHMAKKDFLQWEX-SKDZVZGDSA-N 1 2 329.400 1.355 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000516878023 448488946 /nfs/dbraw/zinc/48/89/46/448488946.db2.gz UTXNOXDGMJAUAD-JKSUJKDBSA-N 1 2 337.464 1.028 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000516924648 448498348 /nfs/dbraw/zinc/49/83/48/448498348.db2.gz UZDXYGVYKBHCFP-INIZCTEOSA-N 1 2 344.440 1.805 20 30 EDEDLO CCOC(=O)[C@@H]1CSCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000535782925 448507268 /nfs/dbraw/zinc/50/72/68/448507268.db2.gz QAJSCDJDKBARHB-AWEZNQCLSA-N 1 2 330.413 1.686 20 30 EDEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540456209 448637636 /nfs/dbraw/zinc/63/76/36/448637636.db2.gz RBQDGTLSWPKSLL-UHFFFAOYSA-N 1 2 349.398 1.754 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592055288 448652042 /nfs/dbraw/zinc/65/20/42/448652042.db2.gz LIGXZUXJMYIXOL-INIZCTEOSA-N 1 2 341.459 1.472 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000592147532 448707474 /nfs/dbraw/zinc/70/74/74/448707474.db2.gz PUCOAYCUNNGJJF-RDTXWAMCSA-N 1 2 344.415 1.691 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000592147532 448707477 /nfs/dbraw/zinc/70/74/77/448707477.db2.gz PUCOAYCUNNGJJF-RDTXWAMCSA-N 1 2 344.415 1.691 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000592151414 448713236 /nfs/dbraw/zinc/71/32/36/448713236.db2.gz OPVZAOJFXXUDNH-MRXNPFEDSA-N 1 2 337.807 1.185 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000592151414 448713239 /nfs/dbraw/zinc/71/32/39/448713239.db2.gz OPVZAOJFXXUDNH-MRXNPFEDSA-N 1 2 337.807 1.185 20 30 EDEDLO COc1cc(-c2noc(C[N@@H+]3CC[C@@](O)(CC#N)C3)n2)ccc1C ZINC000592152467 448713590 /nfs/dbraw/zinc/71/35/90/448713590.db2.gz XUQMXIQQNXMEEC-KRWDZBQOSA-N 1 2 328.372 1.904 20 30 EDEDLO COc1cc(-c2noc(C[N@H+]3CC[C@@](O)(CC#N)C3)n2)ccc1C ZINC000592152467 448713597 /nfs/dbraw/zinc/71/35/97/448713597.db2.gz XUQMXIQQNXMEEC-KRWDZBQOSA-N 1 2 328.372 1.904 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000573881933 448735023 /nfs/dbraw/zinc/73/50/23/448735023.db2.gz AKMYIQGRJVVIFG-LSDHHAIUSA-N 1 2 325.453 1.378 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000573881933 448735024 /nfs/dbraw/zinc/73/50/24/448735024.db2.gz AKMYIQGRJVVIFG-LSDHHAIUSA-N 1 2 325.453 1.378 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000592197834 448735985 /nfs/dbraw/zinc/73/59/85/448735985.db2.gz NIICVUDQSSTEBL-QWHCGFSZSA-N 1 2 340.326 1.515 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000592197834 448735990 /nfs/dbraw/zinc/73/59/90/448735990.db2.gz NIICVUDQSSTEBL-QWHCGFSZSA-N 1 2 340.326 1.515 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)NCc2ccc(CC#N)cc2)CCO1 ZINC000574153423 448802551 /nfs/dbraw/zinc/80/25/51/448802551.db2.gz JIIJBGNOMALKRJ-KRWDZBQOSA-N 1 2 330.432 1.663 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(CC#N)cc2)CCO1 ZINC000574153423 448802555 /nfs/dbraw/zinc/80/25/55/448802555.db2.gz JIIJBGNOMALKRJ-KRWDZBQOSA-N 1 2 330.432 1.663 20 30 EDEDLO CCCCN(C(=O)C[NH2+][C@H](CC)CC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000574170785 448809705 /nfs/dbraw/zinc/80/97/05/448809705.db2.gz SCDBEKGNGCXYRI-ZIAGYGMSSA-N 1 2 329.466 1.084 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545223983 448779913 /nfs/dbraw/zinc/77/99/13/448779913.db2.gz SVHYAPLIRUCDMI-CYBMUJFWSA-N 1 2 337.342 1.024 20 30 EDEDLO CN1CCN(C(=O)Cc2c(F)cccc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000586809539 448815978 /nfs/dbraw/zinc/81/59/78/448815978.db2.gz OWRQVUNJBZHKQA-HNNXBMFYSA-N 1 2 327.363 1.478 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1=O ZINC000520205711 448871152 /nfs/dbraw/zinc/87/11/52/448871152.db2.gz DZXWDTADLDJUDH-HIFRSBDPSA-N 1 2 344.415 1.693 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000547345342 448871563 /nfs/dbraw/zinc/87/15/63/448871563.db2.gz PHQQLQRDJZBJAG-AWEZNQCLSA-N 1 2 335.370 1.774 20 30 EDEDLO N#Cc1cnn2cc(C[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)cnc12 ZINC000579714720 448861775 /nfs/dbraw/zinc/86/17/75/448861775.db2.gz PSWKORUHILTCQY-CYBMUJFWSA-N 1 2 339.321 1.736 20 30 EDEDLO N#Cc1cnn2cc(C[N@@H+]3CCNC(=O)C[C@H]3c3ccccc3)cnc12 ZINC000592498349 448864579 /nfs/dbraw/zinc/86/45/79/448864579.db2.gz XBGUBFHYQKGCAF-KRWDZBQOSA-N 1 2 346.394 1.664 20 30 EDEDLO N#Cc1cnn2cc(C[N@H+]3CCNC(=O)C[C@H]3c3ccccc3)cnc12 ZINC000592498349 448864583 /nfs/dbraw/zinc/86/45/83/448864583.db2.gz XBGUBFHYQKGCAF-KRWDZBQOSA-N 1 2 346.394 1.664 20 30 EDEDLO C=C(C)CS(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000574509550 448889304 /nfs/dbraw/zinc/88/93/04/448889304.db2.gz KPKQXDAPLDBPBT-WBVHZDCISA-N 1 2 338.473 1.771 20 30 EDEDLO C=C(C)CS(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000574509550 448889308 /nfs/dbraw/zinc/88/93/08/448889308.db2.gz KPKQXDAPLDBPBT-WBVHZDCISA-N 1 2 338.473 1.771 20 30 EDEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000574766301 448952579 /nfs/dbraw/zinc/95/25/79/448952579.db2.gz FWGUHIFKAARTPH-UHFFFAOYSA-N 1 2 328.372 1.004 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1)OCC ZINC000581731171 448984490 /nfs/dbraw/zinc/98/44/90/448984490.db2.gz MTJYSLGBHMRBTO-WMLDXEAASA-N 1 2 335.448 1.529 20 30 EDEDLO C=CCCCC[NH+]1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000580155804 448940628 /nfs/dbraw/zinc/94/06/28/448940628.db2.gz MNEXNEPTJOXTFT-UHFFFAOYSA-N 1 2 326.466 1.391 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)CSCc2ccc(C#N)cc2)CCO1 ZINC000522268672 449073028 /nfs/dbraw/zinc/07/30/28/449073028.db2.gz OUHGDIDVDIRNDW-CQSZACIVSA-N 1 2 333.457 1.628 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)CSCc2ccc(C#N)cc2)CCO1 ZINC000522268672 449073036 /nfs/dbraw/zinc/07/30/36/449073036.db2.gz OUHGDIDVDIRNDW-CQSZACIVSA-N 1 2 333.457 1.628 20 30 EDEDLO CC(C)(C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1c[nH+]c[nH]1 ZINC000548414454 449037978 /nfs/dbraw/zinc/03/79/78/449037978.db2.gz CDXGFGWDZSIDQV-INIZCTEOSA-N 1 2 337.427 1.924 20 30 EDEDLO N#Cc1ccncc1N1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000582216912 449038878 /nfs/dbraw/zinc/03/88/78/449038878.db2.gz IFUJETUVVGGNGO-UHFFFAOYSA-N 1 2 331.383 1.805 20 30 EDEDLO C[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C#N)cc1 ZINC000575219290 449063936 /nfs/dbraw/zinc/06/39/36/449063936.db2.gz DVGVXWWJBUTCGR-RRQGHBQHSA-N 1 2 328.416 1.782 20 30 EDEDLO C[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C#N)cc1 ZINC000575219290 449063941 /nfs/dbraw/zinc/06/39/41/449063941.db2.gz DVGVXWWJBUTCGR-RRQGHBQHSA-N 1 2 328.416 1.782 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595727314 449133632 /nfs/dbraw/zinc/13/36/32/449133632.db2.gz APQASOBLQGLDPL-INMHGKMJSA-N 1 2 327.384 1.373 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595727314 449133634 /nfs/dbraw/zinc/13/36/34/449133634.db2.gz APQASOBLQGLDPL-INMHGKMJSA-N 1 2 327.384 1.373 20 30 EDEDLO N#Cc1cnn2cc(C[N@@H+]3CCn4c(CC5CC5)nnc4C3)cnc12 ZINC000593658856 449134597 /nfs/dbraw/zinc/13/45/97/449134597.db2.gz WWDGPBJMFWZEIS-UHFFFAOYSA-N 1 2 334.387 1.161 20 30 EDEDLO N#Cc1cnn2cc(C[N@H+]3CCn4c(CC5CC5)nnc4C3)cnc12 ZINC000593658856 449134600 /nfs/dbraw/zinc/13/46/00/449134600.db2.gz WWDGPBJMFWZEIS-UHFFFAOYSA-N 1 2 334.387 1.161 20 30 EDEDLO CC1(C)NC(=O)N(CC[NH+]2CCN(c3ccsc3C#N)CC2)C1=O ZINC000595633464 449091774 /nfs/dbraw/zinc/09/17/74/449091774.db2.gz XJTSWNFBGRQPFI-UHFFFAOYSA-N 1 2 347.444 1.072 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000548730901 449091954 /nfs/dbraw/zinc/09/19/54/449091954.db2.gz SZKOZZMBOXJEQN-RDTXWAMCSA-N 1 2 334.464 1.374 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000548730901 449091959 /nfs/dbraw/zinc/09/19/59/449091959.db2.gz SZKOZZMBOXJEQN-RDTXWAMCSA-N 1 2 334.464 1.374 20 30 EDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccsc1C#N ZINC000593587704 449092053 /nfs/dbraw/zinc/09/20/53/449092053.db2.gz XJHSTQMOHNWUKG-UHFFFAOYSA-N 1 2 343.474 1.351 20 30 EDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1ccsc1C#N ZINC000593587704 449092058 /nfs/dbraw/zinc/09/20/58/449092058.db2.gz XJHSTQMOHNWUKG-UHFFFAOYSA-N 1 2 343.474 1.351 20 30 EDEDLO COC(=O)c1cn(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c2ccccc12 ZINC000593155715 449154630 /nfs/dbraw/zinc/15/46/30/449154630.db2.gz WFHLTHUMVVRDQT-SFHVURJKSA-N 1 2 342.399 1.388 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC000611173881 449199256 /nfs/dbraw/zinc/19/92/56/449199256.db2.gz PLTOTYFEKRMUQA-QGZVFWFLSA-N 1 2 339.443 1.853 20 30 EDEDLO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(CCC#N)CC1 ZINC000611174379 449200813 /nfs/dbraw/zinc/20/08/13/449200813.db2.gz HPJCGZIVPGBFIE-CCLIWJKGSA-N 1 2 344.503 1.991 20 30 EDEDLO N#Cc1ccsc1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601893157 449209317 /nfs/dbraw/zinc/20/93/17/449209317.db2.gz KUCDZMGLZGGZCT-UHFFFAOYSA-N 1 2 327.413 1.410 20 30 EDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000593391293 449259428 /nfs/dbraw/zinc/25/94/28/449259428.db2.gz JHWIVRIJBRWTJG-HNNXBMFYSA-N 1 2 329.400 1.652 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000602030657 449287357 /nfs/dbraw/zinc/28/73/57/449287357.db2.gz TVMZPHIOFQFVIY-GFCCVEGCSA-N 1 2 341.346 1.385 20 30 EDEDLO CN(C)C(=O)C[NH+]1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000590801178 449299947 /nfs/dbraw/zinc/29/99/47/449299947.db2.gz JBPSQFXRIOPNBA-UHFFFAOYSA-N 1 2 325.416 1.017 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000593966677 449307992 /nfs/dbraw/zinc/30/79/92/449307992.db2.gz QKOGPUMENNPCIX-CYBMUJFWSA-N 1 2 343.391 1.844 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000593966677 449307997 /nfs/dbraw/zinc/30/79/97/449307997.db2.gz QKOGPUMENNPCIX-CYBMUJFWSA-N 1 2 343.391 1.844 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000594009499 449321628 /nfs/dbraw/zinc/32/16/28/449321628.db2.gz WQUWHCUQMMVQNR-QGZVFWFLSA-N 1 2 342.443 1.821 20 30 EDEDLO CCc1nc(C#N)cc(NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)n1 ZINC000596077315 449351111 /nfs/dbraw/zinc/35/11/11/449351111.db2.gz SXIPDZSFUHXAGJ-CYBMUJFWSA-N 1 2 338.415 2.143 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(c2nc3ncccc3cc2C#N)CC1 ZINC000596104933 449362802 /nfs/dbraw/zinc/36/28/02/449362802.db2.gz FWZZGPAOCBJZIL-UHFFFAOYSA-N 1 2 339.399 1.577 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(c2nc3ncccc3cc2C#N)CC1 ZINC000596104933 449362811 /nfs/dbraw/zinc/36/28/11/449362811.db2.gz FWZZGPAOCBJZIL-UHFFFAOYSA-N 1 2 339.399 1.577 20 30 EDEDLO N#CCCCCC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000598364075 449363095 /nfs/dbraw/zinc/36/30/95/449363095.db2.gz JRVDAQGSHJDWEU-IBGZPJMESA-N 1 2 345.443 1.450 20 30 EDEDLO N#CCCCCC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000598364075 449363098 /nfs/dbraw/zinc/36/30/98/449363098.db2.gz JRVDAQGSHJDWEU-IBGZPJMESA-N 1 2 345.443 1.450 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCSC[C@@H]2C#N)cc1 ZINC000602133221 449370753 /nfs/dbraw/zinc/37/07/53/449370753.db2.gz PWQUEMYRTMPYSL-HOCLYGCPSA-N 1 2 331.441 1.737 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCSC[C@@H]2C#N)cc1 ZINC000602133221 449370756 /nfs/dbraw/zinc/37/07/56/449370756.db2.gz PWQUEMYRTMPYSL-HOCLYGCPSA-N 1 2 331.441 1.737 20 30 EDEDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)CC2(C#N)CC2)C1 ZINC000598503220 449430027 /nfs/dbraw/zinc/43/00/27/449430027.db2.gz XYORYQYYUBHIJY-QGZVFWFLSA-N 1 2 326.444 1.613 20 30 EDEDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)CC2(C#N)CC2)C1 ZINC000598503220 449430031 /nfs/dbraw/zinc/43/00/31/449430031.db2.gz XYORYQYYUBHIJY-QGZVFWFLSA-N 1 2 326.444 1.613 20 30 EDEDLO Cc1nc(N2CCN(C(=O)CC#N)CC2)c(Br)c(C)[nH+]1 ZINC000596292104 449459509 /nfs/dbraw/zinc/45/95/09/449459509.db2.gz RTEWPHAMYWCQNO-UHFFFAOYSA-N 1 2 338.209 1.418 20 30 EDEDLO Cc1cc(C(=O)N2CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)C2)n[nH]1 ZINC000598619873 449497071 /nfs/dbraw/zinc/49/70/71/449497071.db2.gz IETBOEFTJUCXFF-KGLIPLIRSA-N 1 2 333.436 1.165 20 30 EDEDLO Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)C2)n[nH]1 ZINC000598619873 449497077 /nfs/dbraw/zinc/49/70/77/449497077.db2.gz IETBOEFTJUCXFF-KGLIPLIRSA-N 1 2 333.436 1.165 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000602335135 449522986 /nfs/dbraw/zinc/52/29/86/449522986.db2.gz UXHCNZRZJPTPEA-QMTHXVAHSA-N 1 2 343.353 1.739 20 30 EDEDLO N#CC1(CNC(=O)N2CC[NH+](CCc3cnccn3)CC2)CCCC1 ZINC000602336964 449523896 /nfs/dbraw/zinc/52/38/96/449523896.db2.gz MINVDVNTHSVRSP-UHFFFAOYSA-N 1 2 342.447 1.430 20 30 EDEDLO Cn1c2cc(C[NH+]3CCN(c4ncccc4C#N)CC3)ccc2oc1=O ZINC000602431261 449581762 /nfs/dbraw/zinc/58/17/62/449581762.db2.gz CFVDHQJKLALEPU-UHFFFAOYSA-N 1 2 349.394 1.720 20 30 EDEDLO Cn1cc(N2C(=O)C[C@H]([N@@H+]3CCc4c(CC#N)cccc4C3)C2=O)cn1 ZINC000600886049 449585811 /nfs/dbraw/zinc/58/58/11/449585811.db2.gz KKHWMVIGPHOOHG-KRWDZBQOSA-N 1 2 349.394 1.176 20 30 EDEDLO Cn1cc(N2C(=O)C[C@H]([N@H+]3CCc4c(CC#N)cccc4C3)C2=O)cn1 ZINC000600886049 449585816 /nfs/dbraw/zinc/58/58/16/449585816.db2.gz KKHWMVIGPHOOHG-KRWDZBQOSA-N 1 2 349.394 1.176 20 30 EDEDLO C[C@]1(C#N)CCCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000612099139 449561285 /nfs/dbraw/zinc/56/12/85/449561285.db2.gz ORJJPOZAPWKSQJ-GOSISDBHSA-N 1 2 343.431 1.753 20 30 EDEDLO C[C@@]1(C#N)CCCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000612099141 449561510 /nfs/dbraw/zinc/56/15/10/449561510.db2.gz ORJJPOZAPWKSQJ-SFHVURJKSA-N 1 2 343.431 1.753 20 30 EDEDLO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000598723089 449564128 /nfs/dbraw/zinc/56/41/28/449564128.db2.gz DPIMHPUWHWKAKZ-HNNXBMFYSA-N 1 2 331.395 1.856 20 30 EDEDLO CO[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCOC1 ZINC000596657369 449589332 /nfs/dbraw/zinc/58/93/32/449589332.db2.gz RKSXQYLZKLMKLQ-ROUUACIJSA-N 1 2 343.427 1.254 20 30 EDEDLO CN1CCN(c2cc(N3Cc4ccc(C#N)cc4C3)nc[nH+]2)CC1=O ZINC000594602049 449591187 /nfs/dbraw/zinc/59/11/87/449591187.db2.gz ADHSFTGWUSJLAH-UHFFFAOYSA-N 1 2 334.383 1.147 20 30 EDEDLO CN1CCN(c2cc(N3Cc4ccc(C#N)cc4C3)[nH+]cn2)CC1=O ZINC000594602049 449591193 /nfs/dbraw/zinc/59/11/93/449591193.db2.gz ADHSFTGWUSJLAH-UHFFFAOYSA-N 1 2 334.383 1.147 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000596694802 449611171 /nfs/dbraw/zinc/61/11/71/449611171.db2.gz NYNHKVCERJWLHN-HNNXBMFYSA-N 1 2 346.475 1.662 20 30 EDEDLO COc1ccccc1N1C(=O)C[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594661442 449614961 /nfs/dbraw/zinc/61/49/61/449614961.db2.gz ZNIMDHFFPDVBOI-ZFWWWQNUSA-N 1 2 327.384 1.953 20 30 EDEDLO COc1ccccc1N1C(=O)C[C@H]([N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000594661442 449614967 /nfs/dbraw/zinc/61/49/67/449614967.db2.gz ZNIMDHFFPDVBOI-ZFWWWQNUSA-N 1 2 327.384 1.953 20 30 EDEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000594661256 449615091 /nfs/dbraw/zinc/61/50/91/449615091.db2.gz XRZASHGUNRHROP-SWLSCSKDSA-N 1 2 342.355 1.852 20 30 EDEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000594661256 449615094 /nfs/dbraw/zinc/61/50/94/449615094.db2.gz XRZASHGUNRHROP-SWLSCSKDSA-N 1 2 342.355 1.852 20 30 EDEDLO N#CC1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC2(CC2)C1 ZINC000600981198 449631909 /nfs/dbraw/zinc/63/19/09/449631909.db2.gz BCEGAUXQKDTSOR-UHFFFAOYSA-N 1 2 326.400 1.618 20 30 EDEDLO COC(=O)c1[nH]c(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1C ZINC000602672436 449743184 /nfs/dbraw/zinc/74/31/84/449743184.db2.gz LISNHSICYSWDJG-UHFFFAOYSA-N 1 2 339.399 1.699 20 30 EDEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)OCC ZINC000614663013 449747427 /nfs/dbraw/zinc/74/74/27/449747427.db2.gz LJRSQOQPVDWCJO-LSDHHAIUSA-N 1 2 336.436 1.769 20 30 EDEDLO C=C(C)[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)OCC ZINC000614663013 449747431 /nfs/dbraw/zinc/74/74/31/449747431.db2.gz LJRSQOQPVDWCJO-LSDHHAIUSA-N 1 2 336.436 1.769 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccncc1Cl ZINC000597020521 449770983 /nfs/dbraw/zinc/77/09/83/449770983.db2.gz HSPVBKBMZYOHDV-UHFFFAOYSA-N 1 2 336.823 1.352 20 30 EDEDLO N#CC1(C[C@@H](O)C[NH+]2CCN(C(=O)c3ccco3)CC2)CCOCC1 ZINC000599253797 449835257 /nfs/dbraw/zinc/83/52/57/449835257.db2.gz RCTAKKJSCDPCSM-OAHLLOKOSA-N 1 2 347.415 1.109 20 30 EDEDLO CCOc1ccccc1NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854235 449860515 /nfs/dbraw/zinc/86/05/15/449860515.db2.gz AZAMCSXOOUROKQ-GJZGRUSLSA-N 1 2 330.432 1.942 20 30 EDEDLO COc1cccc(CNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602856179 449863728 /nfs/dbraw/zinc/86/37/28/449863728.db2.gz JFARPVQJSYEOKE-GASCZTMLSA-N 1 2 330.432 1.230 20 30 EDEDLO COc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602856179 449863735 /nfs/dbraw/zinc/86/37/35/449863735.db2.gz JFARPVQJSYEOKE-GASCZTMLSA-N 1 2 330.432 1.230 20 30 EDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000602864323 449872656 /nfs/dbraw/zinc/87/26/56/449872656.db2.gz QZYUEENIZRUGTR-CQSZACIVSA-N 1 2 328.416 1.755 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000595125643 449885912 /nfs/dbraw/zinc/88/59/12/449885912.db2.gz JERQSMGPHGQMNR-KBPBESRZSA-N 1 2 344.415 1.031 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000595125643 449885917 /nfs/dbraw/zinc/88/59/17/449885917.db2.gz JERQSMGPHGQMNR-KBPBESRZSA-N 1 2 344.415 1.031 20 30 EDEDLO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@H](O)CC2(C#N)CCOCC2)no1 ZINC000599269711 449847560 /nfs/dbraw/zinc/84/75/60/449847560.db2.gz XBZASSPHRFTDKW-CABCVRRESA-N 1 2 334.420 1.976 20 30 EDEDLO Cc1nc([C@@H]2CCCC[N@H+]2C[C@H](O)CC2(C#N)CCOCC2)no1 ZINC000599269711 449847563 /nfs/dbraw/zinc/84/75/63/449847563.db2.gz XBZASSPHRFTDKW-CABCVRRESA-N 1 2 334.420 1.976 20 30 EDEDLO N#Cc1cnccc1C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000602891726 449898517 /nfs/dbraw/zinc/89/85/17/449898517.db2.gz OHVJQYRKQUKDNA-QGZVFWFLSA-N 1 2 332.473 1.593 20 30 EDEDLO N#Cc1cnccc1C[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000602891726 449898521 /nfs/dbraw/zinc/89/85/21/449898521.db2.gz OHVJQYRKQUKDNA-QGZVFWFLSA-N 1 2 332.473 1.593 20 30 EDEDLO C=CCCSCCNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000595153115 449905339 /nfs/dbraw/zinc/90/53/39/449905339.db2.gz ZHKIWKFVRMRIFM-ZDUSSCGKSA-N 1 2 336.461 1.541 20 30 EDEDLO COc1cc(C[NH+]2CCN(C(=O)[C@H](C)CC#N)CC2)cc(OC)c1 ZINC000597336392 449957796 /nfs/dbraw/zinc/95/77/96/449957796.db2.gz IYBMASYESDFWKK-CQSZACIVSA-N 1 2 331.416 1.898 20 30 EDEDLO CC1(C)[C@@H](NS(=O)(=O)CC2(CC#N)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000601452652 449976670 /nfs/dbraw/zinc/97/66/70/449976670.db2.gz LVQQGPNAEWRWNJ-KBPBESRZSA-N 1 2 341.477 1.099 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000602987509 449983284 /nfs/dbraw/zinc/98/32/84/449983284.db2.gz JNUJBIDAGQFCCX-XQQFMLRXSA-N 1 2 327.306 1.187 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000602987509 449983289 /nfs/dbraw/zinc/98/32/89/449983289.db2.gz JNUJBIDAGQFCCX-XQQFMLRXSA-N 1 2 327.306 1.187 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3cccc(F)c3C#N)CC2)C[C@H](C)O1 ZINC000595289784 450005533 /nfs/dbraw/zinc/00/55/33/450005533.db2.gz SEPPSULLGHICTP-IYBDPMFKSA-N 1 2 346.450 1.929 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595295715 450010362 /nfs/dbraw/zinc/01/03/62/450010362.db2.gz QBISBGLJUPPKEU-MRXNPFEDSA-N 1 2 334.391 1.978 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595295715 450010365 /nfs/dbraw/zinc/01/03/65/450010365.db2.gz QBISBGLJUPPKEU-MRXNPFEDSA-N 1 2 334.391 1.978 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000603017933 450012324 /nfs/dbraw/zinc/01/23/24/450012324.db2.gz YSZYJNSCIJTZEH-ZDUSSCGKSA-N 1 2 334.395 1.348 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000601499330 450019952 /nfs/dbraw/zinc/01/99/52/450019952.db2.gz OINVMODDPIOOFR-LBPRGKRZSA-N 1 2 325.372 1.459 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C)Cc2ccccc2F)CC1 ZINC000609485706 450036307 /nfs/dbraw/zinc/03/63/07/450036307.db2.gz VOLWGAPDZAWPJC-GOSISDBHSA-N 1 2 346.450 1.950 20 30 EDEDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000599539885 450047719 /nfs/dbraw/zinc/04/77/19/450047719.db2.gz RCNNPBHGNDNHTD-MRXNPFEDSA-N 1 2 330.432 1.618 20 30 EDEDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000599539885 450047726 /nfs/dbraw/zinc/04/77/26/450047726.db2.gz RCNNPBHGNDNHTD-MRXNPFEDSA-N 1 2 330.432 1.618 20 30 EDEDLO N#CCCN1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000601570249 450079986 /nfs/dbraw/zinc/07/99/86/450079986.db2.gz FTPRWYGDPCCZDO-UHFFFAOYSA-N 1 2 344.341 1.186 20 30 EDEDLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)CC1(C#N)CC1)c1ccccc1 ZINC000613268590 450110972 /nfs/dbraw/zinc/11/09/72/450110972.db2.gz ITZHHSDKAGOUML-HNNXBMFYSA-N 1 2 344.440 1.927 20 30 EDEDLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)n1cc(CCC#N)nn1 ZINC000603252017 450179695 /nfs/dbraw/zinc/17/96/95/450179695.db2.gz MGHNNXPYOQAXPA-AWEZNQCLSA-N 1 2 339.403 1.039 20 30 EDEDLO N#CC[C@H](CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2)c1ccccc1 ZINC000597627011 450154886 /nfs/dbraw/zinc/15/48/86/450154886.db2.gz WPZCJJYFNDETPF-QZTJIDSGSA-N 1 2 326.444 1.580 20 30 EDEDLO N#CC[C@H](CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2)c1ccccc1 ZINC000597627011 450154889 /nfs/dbraw/zinc/15/48/89/450154889.db2.gz WPZCJJYFNDETPF-QZTJIDSGSA-N 1 2 326.444 1.580 20 30 EDEDLO CNC(=O)C[NH+]1CCN(c2c(C#N)cnc3c(F)ccc(F)c32)CC1 ZINC000610245562 450161263 /nfs/dbraw/zinc/16/12/63/450161263.db2.gz SPPHMRVICMEOEB-UHFFFAOYSA-N 1 2 345.353 1.253 20 30 EDEDLO CN(C)[C@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)c1c[nH+]cn1C ZINC000601681544 450166869 /nfs/dbraw/zinc/16/68/69/450166869.db2.gz YKRXNAOVNUFOJT-KRWDZBQOSA-N 1 2 338.415 1.217 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)n1cc(CCC#N)nn1 ZINC000603252019 450179084 /nfs/dbraw/zinc/17/90/84/450179084.db2.gz MGHNNXPYOQAXPA-CQSZACIVSA-N 1 2 339.403 1.039 20 30 EDEDLO COC(=O)CCN1CCC[C@@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000595561598 450234784 /nfs/dbraw/zinc/23/47/84/450234784.db2.gz OBZZSBCOMBRENW-MRXNPFEDSA-N 1 2 327.384 1.428 20 30 EDEDLO COC(=O)CCN1CCC[C@@H]([N@H+]2Cc3cccc(C#N)c3C2)C1=O ZINC000595561598 450234786 /nfs/dbraw/zinc/23/47/86/450234786.db2.gz OBZZSBCOMBRENW-MRXNPFEDSA-N 1 2 327.384 1.428 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610533777 450256489 /nfs/dbraw/zinc/25/64/89/450256489.db2.gz NSHGJGXVASTIHE-HNNXBMFYSA-N 1 2 337.383 1.865 20 30 EDEDLO C[C@@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1cccc(C#N)c1 ZINC000610573386 450265183 /nfs/dbraw/zinc/26/51/83/450265183.db2.gz XYLBUKQLWZXJQN-CYBMUJFWSA-N 1 2 343.431 1.210 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)NCc2[nH+]ccn2CCc2ccccc2)n1 ZINC000610584925 450268054 /nfs/dbraw/zinc/26/80/54/450268054.db2.gz MGHRAFXBOPOMMA-UHFFFAOYSA-N 1 2 349.398 2.053 20 30 EDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000619719196 450319438 /nfs/dbraw/zinc/31/94/38/450319438.db2.gz IYMIKJLJCUGXDX-HNNXBMFYSA-N 1 2 336.457 1.846 20 30 EDEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000618892540 450328401 /nfs/dbraw/zinc/32/84/01/450328401.db2.gz BZKOUCVALXZHJQ-HNNXBMFYSA-N 1 2 330.351 1.951 20 30 EDEDLO C=CC[C@H](Cc1ccccc1)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632459512 451307949 /nfs/dbraw/zinc/30/79/49/451307949.db2.gz KWIZZMZFZKAVDX-IAGOWNOFSA-N 1 2 338.473 1.424 20 30 EDEDLO C=CC[C@H](Cc1ccccc1)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632459512 451307953 /nfs/dbraw/zinc/30/79/53/451307953.db2.gz KWIZZMZFZKAVDX-IAGOWNOFSA-N 1 2 338.473 1.424 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000632459511 451308208 /nfs/dbraw/zinc/30/82/08/451308208.db2.gz KWIZZMZFZKAVDX-DLBZAZTESA-N 1 2 338.473 1.424 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000632459511 451308214 /nfs/dbraw/zinc/30/82/14/451308214.db2.gz KWIZZMZFZKAVDX-DLBZAZTESA-N 1 2 338.473 1.424 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](C)c2ccccc2Cl)nn1 ZINC000640843921 451631036 /nfs/dbraw/zinc/63/10/36/451631036.db2.gz DCXAASNZYCXWMD-CYBMUJFWSA-N 1 2 345.834 1.922 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2nnnn2C2CCCCC2)nn1 ZINC000641154235 451763860 /nfs/dbraw/zinc/76/38/60/451763860.db2.gz RLKATNPDBVUDMX-CYBMUJFWSA-N 1 2 328.424 1.492 20 30 EDEDLO C=CCN(CCOC)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000637411075 451838174 /nfs/dbraw/zinc/83/81/74/451838174.db2.gz HVANTQNNMDWJAJ-UHFFFAOYSA-N 1 2 335.452 2.164 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000645331430 452310740 /nfs/dbraw/zinc/31/07/40/452310740.db2.gz CNNJLWXHPAHWDT-SJORKVTESA-N 1 2 340.427 1.777 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657923761 452614844 /nfs/dbraw/zinc/61/48/44/452614844.db2.gz IBGGNDZHVZSUEJ-CZUORRHYSA-N 1 2 342.399 1.679 20 30 EDEDLO C=CCN(C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)[C@H](C)COC ZINC000658373896 452886125 /nfs/dbraw/zinc/88/61/25/452886125.db2.gz HJNSNUORMLAKJN-GFCCVEGCSA-N 1 2 344.415 1.870 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000652999425 453190570 /nfs/dbraw/zinc/19/05/70/453190570.db2.gz YOCPNECLLQTEMX-UHFFFAOYSA-N 1 2 349.431 1.067 20 30 EDEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000665391726 453678702 /nfs/dbraw/zinc/67/87/02/453678702.db2.gz IZCPYSUGFFKZFG-ZACQAIPSSA-N 1 2 339.480 1.456 20 30 EDEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000661150143 453735206 /nfs/dbraw/zinc/73/52/06/453735206.db2.gz IOVVWKXYLYTROY-ZWKOTPCHSA-N 1 2 327.428 1.929 20 30 EDEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000661150143 453735209 /nfs/dbraw/zinc/73/52/09/453735209.db2.gz IOVVWKXYLYTROY-ZWKOTPCHSA-N 1 2 327.428 1.929 20 30 EDEDLO C=CCOCCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000679504021 487432943 /nfs/dbraw/zinc/43/29/43/487432943.db2.gz YFYFYJWOADDXST-UHFFFAOYSA-N 1 2 333.432 1.595 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679823685 487466055 /nfs/dbraw/zinc/46/60/55/487466055.db2.gz OUEIEVHAXINZDV-HNNXBMFYSA-N 1 2 337.445 1.195 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679823685 487466056 /nfs/dbraw/zinc/46/60/56/487466056.db2.gz OUEIEVHAXINZDV-HNNXBMFYSA-N 1 2 337.445 1.195 20 30 EDEDLO C=CCCCNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000448033300 485943070 /nfs/dbraw/zinc/94/30/70/485943070.db2.gz ZFAMZNBEOAPBAC-INIZCTEOSA-N 1 2 336.480 1.681 20 30 EDEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295524754 491242634 /nfs/dbraw/zinc/24/26/34/491242634.db2.gz UXGAHTZCMDSRTF-CVEARBPZSA-N 1 2 348.834 1.555 20 30 EDEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295524754 491242637 /nfs/dbraw/zinc/24/26/37/491242637.db2.gz UXGAHTZCMDSRTF-CVEARBPZSA-N 1 2 348.834 1.555 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000052073009 527026836 /nfs/dbraw/zinc/02/68/36/527026836.db2.gz QHINSQQUVUREBR-AWEZNQCLSA-N 1 2 348.516 1.696 20 30 EDEDLO CCN(C1CC[NH+](Cc2cc(F)ccc2C#N)CC1)S(C)(=O)=O ZINC000160308498 527876222 /nfs/dbraw/zinc/87/62/22/527876222.db2.gz LPUYTTGJJBSBGT-UHFFFAOYSA-N 1 2 339.436 1.943 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000128326809 527934656 /nfs/dbraw/zinc/93/46/56/527934656.db2.gz OIOPOOZCVBRWGP-YPMHNXCESA-N 1 2 335.370 1.819 20 30 EDEDLO CCOc1cccc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)n1 ZINC000106874188 528661448 /nfs/dbraw/zinc/66/14/48/528661448.db2.gz IPSHOSIGRUPGEU-HNNXBMFYSA-N 1 2 345.447 1.363 20 30 EDEDLO C=C(COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)OCC ZINC000741347293 579412237 /nfs/dbraw/zinc/41/22/37/579412237.db2.gz NZJDWNSDLZYMNK-KRWDZBQOSA-N 1 2 347.411 1.940 20 30 EDEDLO C=C(COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)OCC ZINC000741347293 579412239 /nfs/dbraw/zinc/41/22/39/579412239.db2.gz NZJDWNSDLZYMNK-KRWDZBQOSA-N 1 2 347.411 1.940 20 30 EDEDLO CC(C)[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@H](C)O ZINC000730419767 578648145 /nfs/dbraw/zinc/64/81/45/578648145.db2.gz OXKVPVWMJQWMNM-GXTWGEPZSA-N 1 2 342.399 1.603 20 30 EDEDLO CC(C)[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@H](C)O ZINC000730419767 578648147 /nfs/dbraw/zinc/64/81/47/578648147.db2.gz OXKVPVWMJQWMNM-GXTWGEPZSA-N 1 2 342.399 1.603 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(N2CCCC2=O)ccc1F ZINC000732059379 578689449 /nfs/dbraw/zinc/68/94/49/578689449.db2.gz FIHYOAGOQSIUHB-INIZCTEOSA-N 1 2 329.375 1.989 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(N2CCCC2=O)ccc1F ZINC000732059379 578689451 /nfs/dbraw/zinc/68/94/51/578689451.db2.gz FIHYOAGOQSIUHB-INIZCTEOSA-N 1 2 329.375 1.989 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3ccsc3[nH]2)CC1 ZINC000733150478 578744931 /nfs/dbraw/zinc/74/49/31/578744931.db2.gz KQHCBSCXXWYJJI-UHFFFAOYSA-N 1 2 344.440 1.127 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3ccsc3[nH]2)CC1 ZINC000733150478 578744932 /nfs/dbraw/zinc/74/49/32/578744932.db2.gz KQHCBSCXXWYJJI-UHFFFAOYSA-N 1 2 344.440 1.127 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000735691253 578911506 /nfs/dbraw/zinc/91/15/06/578911506.db2.gz NWDZXDUIGJUCLB-INIZCTEOSA-N 1 2 343.410 1.672 20 30 EDEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736816686 579023621 /nfs/dbraw/zinc/02/36/21/579023621.db2.gz NKYTWYBZJZSQMQ-INIZCTEOSA-N 1 2 347.382 1.397 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2(c3ccccc3C)CCOCC2)CC1 ZINC000744419265 579509983 /nfs/dbraw/zinc/50/99/83/579509983.db2.gz VSUJYOVFPORMJT-UHFFFAOYSA-N 1 2 326.440 1.821 20 30 EDEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000746675415 579606313 /nfs/dbraw/zinc/60/63/13/579606313.db2.gz DIXFCPXJNTVZJQ-INIZCTEOSA-N 1 2 328.416 1.301 20 30 EDEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000746675415 579606315 /nfs/dbraw/zinc/60/63/15/579606315.db2.gz DIXFCPXJNTVZJQ-INIZCTEOSA-N 1 2 328.416 1.301 20 30 EDEDLO COc1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1C#N ZINC000746704744 579607205 /nfs/dbraw/zinc/60/72/05/579607205.db2.gz HKBWARFIKJDEBI-CYBMUJFWSA-N 1 2 332.404 1.087 20 30 EDEDLO C[C@]([NH2+]CC(=O)NCCC#N)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000750058397 579750511 /nfs/dbraw/zinc/75/05/11/579750511.db2.gz SBAZALDYPFQRGD-CQSZACIVSA-N 1 2 342.321 1.025 20 30 EDEDLO COC(=O)c1cc(C#N)c(=O)n(Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000751140133 579795175 /nfs/dbraw/zinc/79/51/75/579795175.db2.gz WQYSGCHTOAAYBV-UHFFFAOYSA-N 1 2 335.323 1.136 20 30 EDEDLO CC1(C)CCC[C@H](C=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000752718653 579864315 /nfs/dbraw/zinc/86/43/15/579864315.db2.gz LMBJHZBHDDJPHL-AWEZNQCLSA-N 1 2 326.510 1.985 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)nc1 ZINC000754294250 579900681 /nfs/dbraw/zinc/90/06/81/579900681.db2.gz QRLUEMCPBFLBQG-UHFFFAOYSA-N 1 2 328.441 1.702 20 30 EDEDLO COc1cccc(-c2noc([C@H](C)[NH2+]CC(=O)NCCC#N)n2)c1 ZINC000755054584 579918966 /nfs/dbraw/zinc/91/89/66/579918966.db2.gz QGNXOHFEFTWZRR-NSHDSACASA-N 1 2 329.360 1.426 20 30 EDEDLO C[C@@H]1C[C@@H]1CN=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000758366411 579980924 /nfs/dbraw/zinc/98/09/24/579980924.db2.gz PTEDSUBDCMMEQL-CHWSQXEVSA-N 1 2 337.449 1.071 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)S1 ZINC000758472519 579983403 /nfs/dbraw/zinc/98/34/03/579983403.db2.gz LFQAQJCZZFUXGZ-UHFFFAOYSA-N 1 2 346.416 1.865 20 30 EDEDLO CC[C@H](CC#N)[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000762793651 580083577 /nfs/dbraw/zinc/08/35/77/580083577.db2.gz JLWPXSKRMKVUJH-NEPJUHHUSA-N 1 2 344.868 1.986 20 30 EDEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000763399634 580099491 /nfs/dbraw/zinc/09/94/91/580099491.db2.gz WUMQCDMXYFLJBE-SFHVURJKSA-N 1 2 342.443 1.815 20 30 EDEDLO NC(=[NH+]OCC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(Cl)cc1 ZINC000765529286 580144999 /nfs/dbraw/zinc/14/49/99/580144999.db2.gz KIRYEHLLZLJKSP-CQSZACIVSA-N 1 2 337.807 1.614 20 30 EDEDLO CC[C@@H](C)CN(C)c1ccc(F)cc1C=[NH+]NC1=NC(=O)C(=O)N1 ZINC000765595567 580146409 /nfs/dbraw/zinc/14/64/09/580146409.db2.gz NWCUGXHGRFEOGC-SNVBAGLBSA-N 1 2 333.367 1.244 20 30 EDEDLO CC[C@@H]1C[C@@H](C)CCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000769566643 580240307 /nfs/dbraw/zinc/24/03/07/580240307.db2.gz GNAWPBLYVOLRAO-UONOGXRCSA-N 1 2 326.510 1.985 20 30 EDEDLO C#C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)[C@H]1CCCO1 ZINC000773151860 580328448 /nfs/dbraw/zinc/32/84/48/580328448.db2.gz LBPYXVCIXJADEU-GVDBMIGSSA-N 1 2 338.411 1.990 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCO1 ZINC000773156500 580328732 /nfs/dbraw/zinc/32/87/32/580328732.db2.gz CBXATMSKBPHMSH-GJZGRUSLSA-N 1 2 325.372 1.247 20 30 EDEDLO C#CC[N@@H+](Cc1cc(Cl)cc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000775657677 580396514 /nfs/dbraw/zinc/39/65/14/580396514.db2.gz GDSLCRDMMHAJBB-CQSZACIVSA-N 1 2 327.833 1.976 20 30 EDEDLO C#CC[N@H+](Cc1cc(Cl)cc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000775657677 580396515 /nfs/dbraw/zinc/39/65/15/580396515.db2.gz GDSLCRDMMHAJBB-CQSZACIVSA-N 1 2 327.833 1.976 20 30 EDEDLO N#CC1(COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000775868332 580403006 /nfs/dbraw/zinc/40/30/06/580403006.db2.gz DNZKFNUCLMYTCK-UHFFFAOYSA-N 1 2 342.399 1.357 20 30 EDEDLO CC1(C)C[C@@]2(NC(=O)N(C[NH+]3CCC(CC#N)CC3)C2=O)C(C)(C)O1 ZINC000781572900 580552716 /nfs/dbraw/zinc/55/27/16/580552716.db2.gz VIFNAJKJCJRPQK-SFHVURJKSA-N 1 2 348.447 1.838 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N=NCC3(C)CC3)cc2)CC1 ZINC000782220147 580569323 /nfs/dbraw/zinc/56/93/23/580569323.db2.gz BCVBQFUKEGQSQK-UHFFFAOYSA-N 1 2 336.461 1.821 20 30 EDEDLO C#CCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000784401664 580620392 /nfs/dbraw/zinc/62/03/92/580620392.db2.gz PGBOSZHSNAZSEV-HZPDHXFCSA-N 1 2 337.370 1.659 20 30 EDEDLO C#CCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000784401664 580620393 /nfs/dbraw/zinc/62/03/93/580620393.db2.gz PGBOSZHSNAZSEV-HZPDHXFCSA-N 1 2 337.370 1.659 20 30 EDEDLO N#Cc1cccc([C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CCO2)c1 ZINC000787172519 580688705 /nfs/dbraw/zinc/68/87/05/580688705.db2.gz WXXOMRGPYAUQDW-IAGOWNOFSA-N 1 2 336.395 1.917 20 30 EDEDLO C=C[C@@H]1CCCCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000787212108 580689460 /nfs/dbraw/zinc/68/94/60/580689460.db2.gz XQKAKBFAVMMNTM-OAHLLOKOSA-N 1 2 343.493 1.246 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(N2CCNC2=O)c1C ZINC000787698194 580702166 /nfs/dbraw/zinc/70/21/66/580702166.db2.gz DOXHPMYQSTWPFK-INIZCTEOSA-N 1 2 326.400 1.561 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(N2CCNC2=O)c1C ZINC000787698194 580702167 /nfs/dbraw/zinc/70/21/67/580702167.db2.gz DOXHPMYQSTWPFK-INIZCTEOSA-N 1 2 326.400 1.561 20 30 EDEDLO C=CC[C@H](NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccncc1 ZINC000789752614 580752735 /nfs/dbraw/zinc/75/27/35/580752735.db2.gz JRMBHRUYAWZINS-HIFRSBDPSA-N 1 2 327.388 1.216 20 30 EDEDLO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nnnn1C1CC1 ZINC000790553674 580772902 /nfs/dbraw/zinc/77/29/02/580772902.db2.gz CUYCGRSYGIGSTP-XHDPSFHLSA-N 1 2 337.387 1.336 20 30 EDEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000791625601 580796859 /nfs/dbraw/zinc/79/68/59/580796859.db2.gz SJXZONILZIQVCT-INIZCTEOSA-N 1 2 348.834 1.974 20 30 EDEDLO COc1cccc([C@H](C#N)NC(=O)CCc2c[nH+]cn2C)c1OC ZINC000793434052 580844052 /nfs/dbraw/zinc/84/40/52/580844052.db2.gz AMPCECLMTGBBJW-AWEZNQCLSA-N 1 2 328.372 1.751 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000798354508 580995157 /nfs/dbraw/zinc/99/51/57/580995157.db2.gz MSQSOTDJIYYDCU-JKSUJKDBSA-N 1 2 344.390 1.722 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000798360724 580995319 /nfs/dbraw/zinc/99/53/19/580995319.db2.gz XKSHCKVJMHLXOP-QGZVFWFLSA-N 1 2 344.459 1.891 20 30 EDEDLO CC(=[NH+]Nc1ccc(-n2ccnc2)nn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799114325 581017102 /nfs/dbraw/zinc/01/71/02/581017102.db2.gz ZXMYHMKYVJRBIY-UHFFFAOYSA-N 1 2 338.331 1.989 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000800021515 581040904 /nfs/dbraw/zinc/04/09/04/581040904.db2.gz LMJYSRFEGSDORU-UHFFFAOYSA-N 1 2 333.417 1.442 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C)CC1 ZINC000800742963 581057967 /nfs/dbraw/zinc/05/79/67/581057967.db2.gz PZCSCYKMHRNAAH-UHFFFAOYSA-N 1 2 341.415 1.255 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2S[C@H](C)C(N)=O)CC1 ZINC000801089060 581065276 /nfs/dbraw/zinc/06/52/76/581065276.db2.gz AWFXSZPAVXOAIS-CYBMUJFWSA-N 1 2 331.441 1.044 20 30 EDEDLO C[C@H](C#N)OCC[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000801940972 581088732 /nfs/dbraw/zinc/08/87/32/581088732.db2.gz VKHHSUVHYYQDBA-MFKMUULPSA-N 1 2 340.221 1.836 20 30 EDEDLO C[C@H](C#N)OCC[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000801940972 581088733 /nfs/dbraw/zinc/08/87/33/581088733.db2.gz VKHHSUVHYYQDBA-MFKMUULPSA-N 1 2 340.221 1.836 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000121252105 590630614 /nfs/dbraw/zinc/63/06/14/590630614.db2.gz ZHAYCSPBTUTQFR-UHFFFAOYSA-N 1 2 325.272 1.641 20 30 EDEDLO N#Cc1ccc(N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cn1 ZINC000804694305 590741898 /nfs/dbraw/zinc/74/18/98/590741898.db2.gz LPAFERIQWIIIMF-UHFFFAOYSA-N 1 2 332.371 1.256 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC000890888376 590831881 /nfs/dbraw/zinc/83/18/81/590831881.db2.gz ZLVVVZQKBLGYEL-INIZCTEOSA-N 1 2 333.342 1.724 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)CCc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893564940 590963693 /nfs/dbraw/zinc/96/36/93/590963693.db2.gz CVWGMYMEKNJGEB-CRAIPNDOSA-N 1 2 330.384 1.670 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)CCc2ccc(C#N)cc2)C[N@H+]1C ZINC000893564940 590963696 /nfs/dbraw/zinc/96/36/96/590963696.db2.gz CVWGMYMEKNJGEB-CRAIPNDOSA-N 1 2 330.384 1.670 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3cc(C#N)sc3[N+](=O)[O-])CC2)cn1 ZINC000892390673 591007261 /nfs/dbraw/zinc/00/72/61/591007261.db2.gz KJHUAZMYPMXUMG-UHFFFAOYSA-N 1 2 332.389 1.584 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891394275 591066715 /nfs/dbraw/zinc/06/67/15/591066715.db2.gz BZCBRBMVPORQNP-HOTGVXAUSA-N 1 2 341.427 1.168 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(C)cc(OC)c2OC)CC1 ZINC000893914415 591136443 /nfs/dbraw/zinc/13/64/43/591136443.db2.gz IHFATQIFRZFKLC-UHFFFAOYSA-N 1 2 347.459 1.432 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000892764302 591166277 /nfs/dbraw/zinc/16/62/77/591166277.db2.gz WTTWODDCLYQMIE-HNNXBMFYSA-N 1 2 325.372 1.575 20 30 EDEDLO CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2C[NH2+]CCC#N)C1 ZINC000894082411 591183026 /nfs/dbraw/zinc/18/30/26/591183026.db2.gz DNYUTZLWTULNAH-ZDUSSCGKSA-N 1 2 334.424 1.853 20 30 EDEDLO C[C@]1(C#N)CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCO1 ZINC000891688531 591186561 /nfs/dbraw/zinc/18/65/61/591186561.db2.gz KSNDXAURLHOKLP-SFHVURJKSA-N 1 2 339.399 1.755 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000895918275 591304234 /nfs/dbraw/zinc/30/42/34/591304234.db2.gz LSCDOAGVNIFJCG-UHFFFAOYSA-N 1 2 346.456 1.062 20 30 EDEDLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000894953441 591498626 /nfs/dbraw/zinc/49/86/26/591498626.db2.gz GAXRBHIYTNIKDE-LBPRGKRZSA-N 1 2 330.388 1.314 20 30 EDEDLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000894953441 591498628 /nfs/dbraw/zinc/49/86/28/591498628.db2.gz GAXRBHIYTNIKDE-LBPRGKRZSA-N 1 2 330.388 1.314 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898887903 591580084 /nfs/dbraw/zinc/58/00/84/591580084.db2.gz FXSQJIOTMWFQAC-AWEZNQCLSA-N 1 2 331.372 1.457 20 30 EDEDLO COc1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)c(Br)c1O ZINC000895162425 591628062 /nfs/dbraw/zinc/62/80/62/591628062.db2.gz ZHWPDUASVYUKOH-SECBINFHSA-N 1 2 345.193 1.633 20 30 EDEDLO C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@H](C)N1CC#N ZINC000898132521 591794592 /nfs/dbraw/zinc/79/45/92/591794592.db2.gz JZKCQXDMGMEILF-OKILXGFUSA-N 1 2 339.399 1.636 20 30 EDEDLO COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cnc3c(C#N)cnn3c1)C2 ZINC000895600670 591814157 /nfs/dbraw/zinc/81/41/57/591814157.db2.gz HMEFHSNTEDGLMY-UHFFFAOYSA-N 1 2 347.378 1.946 20 30 EDEDLO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1cnc3c(C#N)cnn3c1)C2 ZINC000895600670 591814159 /nfs/dbraw/zinc/81/41/59/591814159.db2.gz HMEFHSNTEDGLMY-UHFFFAOYSA-N 1 2 347.378 1.946 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C[C@@]4(CCCOC4)C3=O)C2)nc1 ZINC000902279280 591961328 /nfs/dbraw/zinc/96/13/28/591961328.db2.gz VJZRZWZVWWUBDA-CRAIPNDOSA-N 1 2 342.399 1.003 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C[C@@]4(CCCOC4)C3=O)C2)nc1 ZINC000902279280 591961331 /nfs/dbraw/zinc/96/13/31/591961331.db2.gz VJZRZWZVWWUBDA-CRAIPNDOSA-N 1 2 342.399 1.003 20 30 EDEDLO N#CCCN1CC[NH+](CN2C[C@@H](c3ccc(F)cc3)CC2=O)CC1 ZINC000902352503 591984834 /nfs/dbraw/zinc/98/48/34/591984834.db2.gz LVRVVNPQVAMCJE-INIZCTEOSA-N 1 2 330.407 1.630 20 30 EDEDLO N#Cc1ccc(N2CCC(NC(=O)CNc3cccc[nH+]3)CC2)nc1 ZINC000900527545 592047825 /nfs/dbraw/zinc/04/78/25/592047825.db2.gz APLHHPQEKAJFGO-UHFFFAOYSA-N 1 2 336.399 1.545 20 30 EDEDLO Cn1cc[nH+]c1CNc1ccc(C(=O)N2CCOC[C@@H]2C#N)cc1 ZINC000900849418 592147093 /nfs/dbraw/zinc/14/70/93/592147093.db2.gz YHKSIGQWLFZHGB-HNNXBMFYSA-N 1 2 325.372 1.397 20 30 EDEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000900872422 592152306 /nfs/dbraw/zinc/15/23/06/592152306.db2.gz WRWGNIOMYNZRSB-UHFFFAOYSA-N 1 2 336.382 1.832 20 30 EDEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000900872422 592152307 /nfs/dbraw/zinc/15/23/07/592152307.db2.gz WRWGNIOMYNZRSB-UHFFFAOYSA-N 1 2 336.382 1.832 20 30 EDEDLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3ccsc3C#N)C[C@H]2C)CC1 ZINC000906934773 592416677 /nfs/dbraw/zinc/41/66/77/592416677.db2.gz TXEJPNHPHXMFNQ-IUODEOHRSA-N 1 2 346.456 1.244 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(O)Cc1ccccc1 ZINC000904166012 592447683 /nfs/dbraw/zinc/44/76/83/592447683.db2.gz XIPROPXQFRKDKX-INIZCTEOSA-N 1 2 344.415 1.901 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(O)Cc1ccccc1 ZINC000904166012 592447684 /nfs/dbraw/zinc/44/76/84/592447684.db2.gz XIPROPXQFRKDKX-INIZCTEOSA-N 1 2 344.415 1.901 20 30 EDEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1CCn2cccc2C1 ZINC000908695823 592575229 /nfs/dbraw/zinc/57/52/29/592575229.db2.gz UYKSHJDCRFHKNJ-ZBFHGGJFSA-N 1 2 342.447 1.677 20 30 EDEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1CCn2cccc2C1 ZINC000908695823 592575230 /nfs/dbraw/zinc/57/52/30/592575230.db2.gz UYKSHJDCRFHKNJ-ZBFHGGJFSA-N 1 2 342.447 1.677 20 30 EDEDLO Cn1ccc([C@@H]2CCC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000905714861 592621673 /nfs/dbraw/zinc/62/16/73/592621673.db2.gz BUWRAYDLEFVRSE-OAHLLOKOSA-N 1 2 337.427 1.779 20 30 EDEDLO Cn1ccc([C@@H]2CCC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000905714861 592621675 /nfs/dbraw/zinc/62/16/75/592621675.db2.gz BUWRAYDLEFVRSE-OAHLLOKOSA-N 1 2 337.427 1.779 20 30 EDEDLO C#CC[N@H+](CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O)C(C)C ZINC000905742015 592633844 /nfs/dbraw/zinc/63/38/44/592633844.db2.gz IERQXYVWUXFDSU-LJQANCHMSA-N 1 2 325.412 1.767 20 30 EDEDLO C#CC[N@@H+](CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O)C(C)C ZINC000905742015 592633847 /nfs/dbraw/zinc/63/38/47/592633847.db2.gz IERQXYVWUXFDSU-LJQANCHMSA-N 1 2 325.412 1.767 20 30 EDEDLO C=CC[C@H]([NH2+]C[C@H](Cc1ccc(F)cc1C)C(=O)NC)C(=O)OC ZINC000905779732 592636395 /nfs/dbraw/zinc/63/63/95/592636395.db2.gz OASZHAVEQNEEIA-HOCLYGCPSA-N 1 2 336.407 1.746 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000910448504 592865361 /nfs/dbraw/zinc/86/53/61/592865361.db2.gz CEUYPOGHSLQKKV-CMDGGOBGSA-N 1 2 330.428 1.961 20 30 EDEDLO CCOC(=O)c1sc(SC[C@H](O)C[N@H+](C)CCC#N)nc1C ZINC000840769276 592982137 /nfs/dbraw/zinc/98/21/37/592982137.db2.gz WSTYFQZSZYBKNF-LLVKDONJSA-N 1 2 343.474 1.927 20 30 EDEDLO CCOC(=O)c1sc(SC[C@H](O)C[N@@H+](C)CCC#N)nc1C ZINC000840769276 592982138 /nfs/dbraw/zinc/98/21/38/592982138.db2.gz WSTYFQZSZYBKNF-LLVKDONJSA-N 1 2 343.474 1.927 20 30 EDEDLO C=CC[C@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1)c1ccncc1 ZINC000805809206 593146207 /nfs/dbraw/zinc/14/62/07/593146207.db2.gz OPPOTPMKEUGWTA-INIZCTEOSA-N 1 2 341.415 1.560 20 30 EDEDLO O=C(C#CC1CC1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000838367255 593164498 /nfs/dbraw/zinc/16/44/98/593164498.db2.gz HEDWYPRBKKIYER-UHFFFAOYSA-N 1 2 332.425 1.349 20 30 EDEDLO C=CCc1cc(OC)cc(C[N@H+]2CCOC[C@@H]2CC(=O)OC)c1O ZINC000808213178 593240911 /nfs/dbraw/zinc/24/09/11/593240911.db2.gz NUYKGYAQESIGHG-HNNXBMFYSA-N 1 2 335.400 1.893 20 30 EDEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCOC[C@@H]2CC(=O)OC)c1O ZINC000808213178 593240913 /nfs/dbraw/zinc/24/09/13/593240913.db2.gz NUYKGYAQESIGHG-HNNXBMFYSA-N 1 2 335.400 1.893 20 30 EDEDLO C#Cc1cc(F)c(NC(=O)C(=O)NCCCn2cc[nH+]c2)c(F)c1 ZINC000802542520 593262285 /nfs/dbraw/zinc/26/22/85/593262285.db2.gz GKFUZQNABYSESH-UHFFFAOYSA-N 1 2 332.310 1.288 20 30 EDEDLO NC(=[NH+]OCc1nnn(CC(F)(F)F)n1)c1ccc2c(c1)CCO2 ZINC000809997845 593374594 /nfs/dbraw/zinc/37/45/94/593374594.db2.gz GRGGTTYVWNBLCN-UHFFFAOYSA-N 1 2 342.281 1.007 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCCO1 ZINC000773158557 593458236 /nfs/dbraw/zinc/45/82/36/593458236.db2.gz AOWBOVBFAVGSLW-CVEARBPZSA-N 1 2 328.416 1.662 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2CC[C@H](Cc3ccccc3)C2=O)C1=O ZINC000811770705 593480802 /nfs/dbraw/zinc/48/08/02/593480802.db2.gz GCHWBZHANPLPER-MSOLQXFVSA-N 1 2 341.455 1.754 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2CC[C@H](Cc3ccccc3)C2=O)C1=O ZINC000811770705 593480803 /nfs/dbraw/zinc/48/08/03/593480803.db2.gz GCHWBZHANPLPER-MSOLQXFVSA-N 1 2 341.455 1.754 20 30 EDEDLO COCC1(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000812304984 593495555 /nfs/dbraw/zinc/49/55/55/593495555.db2.gz WQZZTHTZQAAUJK-UHFFFAOYSA-N 1 2 347.459 1.972 20 30 EDEDLO Cc1ccc(N2C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC2=O)cc1 ZINC000813376578 593530164 /nfs/dbraw/zinc/53/01/64/593530164.db2.gz QJNUOLWXPMQFBP-RDTXWAMCSA-N 1 2 328.416 1.308 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)NCc2c[nH+]ccc2OC)c1 ZINC000814417626 593586582 /nfs/dbraw/zinc/58/65/82/593586582.db2.gz DTZVEBNYPLBYMY-UHFFFAOYSA-N 1 2 338.367 1.509 20 30 EDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000814935856 593607514 /nfs/dbraw/zinc/60/75/14/593607514.db2.gz YHWFFJOLJPBYHF-UHFFFAOYSA-N 1 2 336.421 1.007 20 30 EDEDLO C=CCCn1cc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)nn1 ZINC000819301987 593749494 /nfs/dbraw/zinc/74/94/94/593749494.db2.gz FCVMRECULARKQQ-UHFFFAOYSA-N 1 2 348.476 1.493 20 30 EDEDLO C#CC[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(=O)OC ZINC000821118333 593970259 /nfs/dbraw/zinc/97/02/59/593970259.db2.gz IRVUDFSJHOTJFY-CABCVRRESA-N 1 2 325.368 1.613 20 30 EDEDLO C#C[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@@H]1CCCO1 ZINC000822072089 593990013 /nfs/dbraw/zinc/99/00/13/593990013.db2.gz CXHRWNNZURTGDV-BZSNNMDCSA-N 1 2 328.412 1.567 20 30 EDEDLO C#C[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@@H]1CCCO1 ZINC000822072089 593990015 /nfs/dbraw/zinc/99/00/15/593990015.db2.gz CXHRWNNZURTGDV-BZSNNMDCSA-N 1 2 328.412 1.567 20 30 EDEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826387139 594454844 /nfs/dbraw/zinc/45/48/44/594454844.db2.gz HZCQNQIVYWXLBY-UHFFFAOYSA-N 1 2 346.398 1.456 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CCc2[nH]c[nH+]c2C12CCC2 ZINC000829078959 594563816 /nfs/dbraw/zinc/56/38/16/594563816.db2.gz DWKJRFRTJDEKKI-UHFFFAOYSA-N 1 2 335.363 1.954 20 30 EDEDLO C#CCN(CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C(=O)OC(C)(C)C ZINC000831209881 594581589 /nfs/dbraw/zinc/58/15/89/594581589.db2.gz MZDVEMBRUPPOMW-AWEZNQCLSA-N 1 2 346.431 1.606 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1 ZINC000826949977 594608617 /nfs/dbraw/zinc/60/86/17/594608617.db2.gz MSCKXCZDBHCVRH-MRXNPFEDSA-N 1 2 346.452 1.404 20 30 EDEDLO COc1cc(C(=O)N2CC[NH+](CCOC(C)C)CC2)ccc1C#N ZINC000829461937 594618546 /nfs/dbraw/zinc/61/85/46/594618546.db2.gz UHACJKAUKCIRPP-UHFFFAOYSA-N 1 2 331.416 1.750 20 30 EDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)cc1 ZINC000827270628 594657758 /nfs/dbraw/zinc/65/77/58/594657758.db2.gz DLPOJNOQZDBTPP-ZIAGYGMSSA-N 1 2 337.445 1.443 20 30 EDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)cc1 ZINC000827270628 594657759 /nfs/dbraw/zinc/65/77/59/594657759.db2.gz DLPOJNOQZDBTPP-ZIAGYGMSSA-N 1 2 337.445 1.443 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C2CC(=O)NC(=O)C2)cc1 ZINC000833790844 594930117 /nfs/dbraw/zinc/93/01/17/594930117.db2.gz OIIQVAFNWFTSOW-INIZCTEOSA-N 1 2 339.395 1.243 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C2CC(=O)NC(=O)C2)cc1 ZINC000833790844 594930118 /nfs/dbraw/zinc/93/01/18/594930118.db2.gz OIIQVAFNWFTSOW-INIZCTEOSA-N 1 2 339.395 1.243 20 30 EDEDLO NC(C[NH+]1CCSCC1)=NOCc1nc(C2CCCC2)no1 ZINC000121446221 594977003 /nfs/dbraw/zinc/97/70/03/594977003.db2.gz URXZXDAKBOUSHJ-UHFFFAOYSA-N 1 2 325.438 1.565 20 30 EDEDLO NC(=NOCCOCC1CCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842025678 595004903 /nfs/dbraw/zinc/00/49/03/595004903.db2.gz ZRNGMBWNPQATBL-UHFFFAOYSA-N 1 2 347.459 1.972 20 30 EDEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000846333407 595209184 /nfs/dbraw/zinc/20/91/84/595209184.db2.gz MHXHMGYCPHMCQB-INIZCTEOSA-N 1 2 331.416 1.161 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CN(C3CC3)C(=O)O2)c1 ZINC000844278567 595315353 /nfs/dbraw/zinc/31/53/53/595315353.db2.gz QMLLCTSZZFECRM-MRXNPFEDSA-N 1 2 327.384 1.521 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CN(C3CC3)C(=O)O2)c1 ZINC000844278567 595315355 /nfs/dbraw/zinc/31/53/55/595315355.db2.gz QMLLCTSZZFECRM-MRXNPFEDSA-N 1 2 327.384 1.521 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000844528741 595355935 /nfs/dbraw/zinc/35/59/35/595355935.db2.gz YGWSWCFHGKLRLL-CYBMUJFWSA-N 1 2 326.303 1.647 20 30 EDEDLO N#Cc1ccc(CON=C(N)C[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000844766491 595392843 /nfs/dbraw/zinc/39/28/43/595392843.db2.gz KMAVQCFOUAVFTK-UHFFFAOYSA-N 1 2 335.389 1.514 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782921 595446750 /nfs/dbraw/zinc/44/67/50/595446750.db2.gz YCAXQWKBDHGUJO-LBPRGKRZSA-N 1 2 328.372 1.808 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000847566036 595449551 /nfs/dbraw/zinc/44/95/51/595449551.db2.gz RVAWFBOAEPAHCJ-KFWWJZLASA-N 1 2 343.427 1.220 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000847566036 595449552 /nfs/dbraw/zinc/44/95/52/595449552.db2.gz RVAWFBOAEPAHCJ-KFWWJZLASA-N 1 2 343.427 1.220 20 30 EDEDLO N#CCCCCC(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000848864753 595459704 /nfs/dbraw/zinc/45/97/04/595459704.db2.gz KCNAZUHPLFDLCL-UHFFFAOYSA-N 1 2 333.388 1.551 20 30 EDEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000845204166 595461038 /nfs/dbraw/zinc/46/10/38/595461038.db2.gz ASELXLIJQOPTNG-PBHICJAKSA-N 1 2 339.399 1.514 20 30 EDEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000845204166 595461040 /nfs/dbraw/zinc/46/10/40/595461040.db2.gz ASELXLIJQOPTNG-PBHICJAKSA-N 1 2 339.399 1.514 20 30 EDEDLO COc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)ccc1C#N ZINC000855113540 595601264 /nfs/dbraw/zinc/60/12/64/595601264.db2.gz GTGLTJQZMVHUST-HNNXBMFYSA-N 1 2 342.399 1.790 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857989690 595681179 /nfs/dbraw/zinc/68/11/79/595681179.db2.gz SSGBBTUCZGYRIU-AWEZNQCLSA-N 1 2 325.372 1.666 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1NCCCN(C)S(=O)(=O)CC ZINC000853161215 595686278 /nfs/dbraw/zinc/68/62/78/595686278.db2.gz MZCXPUHTNMSYPG-UHFFFAOYSA-N 1 2 339.461 1.957 20 30 EDEDLO C#CCCOc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000855407309 595697376 /nfs/dbraw/zinc/69/73/76/595697376.db2.gz KXNQYSMCTSTZQU-JKSUJKDBSA-N 1 2 330.428 1.928 20 30 EDEDLO C#CCCOc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000855407309 595697377 /nfs/dbraw/zinc/69/73/77/595697377.db2.gz KXNQYSMCTSTZQU-JKSUJKDBSA-N 1 2 330.428 1.928 20 30 EDEDLO C#CC[C@H](COC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000858124510 595706054 /nfs/dbraw/zinc/70/60/54/595706054.db2.gz WWNHGTNVUSJYRY-HZPDHXFCSA-N 1 2 326.400 1.847 20 30 EDEDLO COCc1csc(C=NNC(=S)NCC[NH+]2CCOCC2)c1 ZINC000853263181 595722661 /nfs/dbraw/zinc/72/26/61/595722661.db2.gz BBVWOXMUFQJINH-UHFFFAOYSA-N 1 2 342.490 1.025 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC[C@H](S(=O)(=O)NC)C1 ZINC000853328536 595736710 /nfs/dbraw/zinc/73/67/10/595736710.db2.gz JGOZWMOVUXKXSK-AWEZNQCLSA-N 1 2 337.445 1.392 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCCn1cc[nH+]c1 ZINC000853467740 595759911 /nfs/dbraw/zinc/75/99/11/595759911.db2.gz HTCPYWWKMPXGKI-UHFFFAOYSA-N 1 2 334.420 1.650 20 30 EDEDLO C=CC[N@H+](CN1C[C@](CO)(c2ccccn2)CC1=O)[C@H](C)COC ZINC000853535159 595789166 /nfs/dbraw/zinc/78/91/66/595789166.db2.gz QBHAZXJPPMJXJY-CRAIPNDOSA-N 1 2 333.432 1.024 20 30 EDEDLO C=CC[N@@H+](CN1C[C@](CO)(c2ccccn2)CC1=O)[C@H](C)COC ZINC000853535159 595789169 /nfs/dbraw/zinc/78/91/69/595789169.db2.gz QBHAZXJPPMJXJY-CRAIPNDOSA-N 1 2 333.432 1.024 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000850361153 595819351 /nfs/dbraw/zinc/81/93/51/595819351.db2.gz NIOHYZFPCLUTGM-UKRRQHHQSA-N 1 2 343.832 1.254 20 30 EDEDLO C#CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000851714530 595893993 /nfs/dbraw/zinc/89/39/93/595893993.db2.gz HFQWKKQYRSQWQP-UHFFFAOYSA-N 1 2 336.457 1.260 20 30 EDEDLO C#CCOCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000851715411 595895039 /nfs/dbraw/zinc/89/50/39/595895039.db2.gz TVIGBGOJBQEOQI-UHFFFAOYSA-N 1 2 348.468 1.131 20 30 EDEDLO C#CC[C@H](COC)Nc1nc(N[C@@H](CC#C)COC)c(F)c(C)[nH+]1 ZINC000858860858 595908527 /nfs/dbraw/zinc/90/85/27/595908527.db2.gz VGXVXLPDWUKGPT-UONOGXRCSA-N 1 2 334.395 1.825 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000859028354 595954803 /nfs/dbraw/zinc/95/48/03/595954803.db2.gz OLZUOFYUBCNHBS-KRWDZBQOSA-N 1 2 345.443 1.431 20 30 EDEDLO C#CC[C@H](COC)NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000859043527 595960432 /nfs/dbraw/zinc/96/04/32/595960432.db2.gz JNTMRAUNNFXSNI-CQSZACIVSA-N 1 2 333.436 1.658 20 30 EDEDLO COc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)ccc1C#N ZINC000854423201 596073135 /nfs/dbraw/zinc/07/31/35/596073135.db2.gz COBQYTJOWOEEGV-CZUORRHYSA-N 1 2 329.400 1.502 20 30 EDEDLO CCOC(=O)[C@]1(F)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC12CCC2 ZINC000852318585 596124621 /nfs/dbraw/zinc/12/46/21/596124621.db2.gz SQLRVFBAXALACB-CXAGYDPISA-N 1 2 339.411 1.504 20 30 EDEDLO CCOC(=O)[C@]1(F)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC12CCC2 ZINC000852318585 596124623 /nfs/dbraw/zinc/12/46/23/596124623.db2.gz SQLRVFBAXALACB-CXAGYDPISA-N 1 2 339.411 1.504 20 30 EDEDLO C=CC[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@H](C)COC ZINC000852356640 596135239 /nfs/dbraw/zinc/13/52/39/596135239.db2.gz KKGWVXREXQKMEW-CQSZACIVSA-N 1 2 326.400 1.943 20 30 EDEDLO C=CC[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@H](C)COC ZINC000852356640 596135241 /nfs/dbraw/zinc/13/52/41/596135241.db2.gz KKGWVXREXQKMEW-CQSZACIVSA-N 1 2 326.400 1.943 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(OC(C)C)nc2)CC1 ZINC000866598691 596265254 /nfs/dbraw/zinc/26/52/54/596265254.db2.gz MIZSAMHAZBQNRL-UHFFFAOYSA-N 1 2 337.445 1.198 20 30 EDEDLO C#CC[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCN(C)CC2)C1 ZINC000862565444 596347675 /nfs/dbraw/zinc/34/76/75/596347675.db2.gz SHBHGYAAGDNGKX-MJGOQNOKSA-N 1 2 325.456 1.847 20 30 EDEDLO C#CC[C@@H]1CCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000862569126 596348405 /nfs/dbraw/zinc/34/84/05/596348405.db2.gz NPZGTVRANKULIA-OAHLLOKOSA-N 1 2 342.439 1.934 20 30 EDEDLO C#CC[C@@H]1CCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000862569126 596348406 /nfs/dbraw/zinc/34/84/06/596348406.db2.gz NPZGTVRANKULIA-OAHLLOKOSA-N 1 2 342.439 1.934 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc3c(C#N)c[nH]c3c2)[C@@H](C)CO1 ZINC000869241516 596458567 /nfs/dbraw/zinc/45/85/67/596458567.db2.gz HNPWATLQNDEICJ-QWHCGFSZSA-N 1 2 326.400 1.879 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc3c(C#N)c[nH]c3c2)[C@@H](C)CO1 ZINC000869241516 596458568 /nfs/dbraw/zinc/45/85/68/596458568.db2.gz HNPWATLQNDEICJ-QWHCGFSZSA-N 1 2 326.400 1.879 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867711750 596508648 /nfs/dbraw/zinc/50/86/48/596508648.db2.gz UZUNQZVQJHNZRO-ZDUSSCGKSA-N 1 2 341.408 1.279 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867711750 596508650 /nfs/dbraw/zinc/50/86/50/596508650.db2.gz UZUNQZVQJHNZRO-ZDUSSCGKSA-N 1 2 341.408 1.279 20 30 EDEDLO Cc1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCF)C2)c1C#N ZINC000867711714 596508668 /nfs/dbraw/zinc/50/86/68/596508668.db2.gz UHASXQPHRVTTKF-ZDUSSCGKSA-N 1 2 325.409 1.579 20 30 EDEDLO Cc1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1C#N ZINC000867711714 596508670 /nfs/dbraw/zinc/50/86/70/596508670.db2.gz UHASXQPHRVTTKF-ZDUSSCGKSA-N 1 2 325.409 1.579 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1sccc1CC#N ZINC000869401068 596512158 /nfs/dbraw/zinc/51/21/58/596512158.db2.gz TZORMRZRIKIRBW-QGZVFWFLSA-N 1 2 349.456 1.160 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1sccc1CC#N ZINC000869401068 596512161 /nfs/dbraw/zinc/51/21/61/596512161.db2.gz TZORMRZRIKIRBW-QGZVFWFLSA-N 1 2 349.456 1.160 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(OCCC)c(F)c2)CC1 ZINC000863362713 596562025 /nfs/dbraw/zinc/56/20/25/596562025.db2.gz BMCSCWDETFZNCG-UHFFFAOYSA-N 1 2 333.407 1.804 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 ZINC000865522748 596599537 /nfs/dbraw/zinc/59/95/37/596599537.db2.gz VCLILUQHCHAGOS-UHFFFAOYSA-N 1 2 344.350 1.661 20 30 EDEDLO CN1CCN(S(=O)(=O)c2ccccc2C#N)Cc2ccc[nH+]c21 ZINC000867898414 596607745 /nfs/dbraw/zinc/60/77/45/596607745.db2.gz GJFGMIVOGPWSCS-UHFFFAOYSA-N 1 2 328.397 1.594 20 30 EDEDLO N#Cc1ccc(NC2CC2)c(NC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000867975144 596640854 /nfs/dbraw/zinc/64/08/54/596640854.db2.gz JHWDOBINZHWJOZ-UPHRSURJSA-N 1 2 326.400 1.959 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000863780059 596683701 /nfs/dbraw/zinc/68/37/01/596683701.db2.gz WLFPLRDBKNTCQK-CQSZACIVSA-N 1 2 342.355 1.939 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000863926728 596718389 /nfs/dbraw/zinc/71/83/89/596718389.db2.gz DYMWGORIFWHSTF-RHSMWYFYSA-N 1 2 328.391 1.146 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)cc1 ZINC000870091148 596746434 /nfs/dbraw/zinc/74/64/34/596746434.db2.gz CZDBGRICMWESEL-UHFFFAOYSA-N 1 2 349.438 1.982 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000868275733 596759733 /nfs/dbraw/zinc/75/97/33/596759733.db2.gz UHELYXPFUAUSDC-CZUORRHYSA-N 1 2 338.411 1.975 20 30 EDEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC000866145226 596803036 /nfs/dbraw/zinc/80/30/36/596803036.db2.gz TVMWYMDTAODGMK-GOSISDBHSA-N 1 2 338.411 1.826 20 30 EDEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC000866145226 596803039 /nfs/dbraw/zinc/80/30/39/596803039.db2.gz TVMWYMDTAODGMK-GOSISDBHSA-N 1 2 338.411 1.826 20 30 EDEDLO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866306439 596852754 /nfs/dbraw/zinc/85/27/54/596852754.db2.gz HMHQUNGFMRNIPF-ZDUSSCGKSA-N 1 2 331.416 1.942 20 30 EDEDLO CCOc1ccc(O)c(/C=[NH+]\CCCN2CCCS2(=O)=O)c1 ZINC000864346984 596862175 /nfs/dbraw/zinc/86/21/75/596862175.db2.gz HXPLXEJFXZIOFE-VBKFSLOCSA-N 1 2 326.418 1.635 20 30 EDEDLO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(C#N)c1O ZINC000866356618 596865412 /nfs/dbraw/zinc/86/54/12/596865412.db2.gz FHEFCIMTJLZAHU-JSGCOSHPSA-N 1 2 337.445 1.729 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(C#N)cc2Cl)C1 ZINC000866429360 596884974 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/nfs/dbraw/zinc/62/91/78/700629178.db2.gz UESZAKSNGNSJBT-AWEZNQCLSA-N 1 2 333.819 1.913 20 30 EDEDLO CC1(C)C[N@H+](Cc2cnns2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940656559 700818823 /nfs/dbraw/zinc/81/88/23/700818823.db2.gz DYHHDQYNSSJOIG-AWEZNQCLSA-N 1 2 344.444 1.768 20 30 EDEDLO CC1(C)C[N@@H+](Cc2cnns2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940656559 700818824 /nfs/dbraw/zinc/81/88/24/700818824.db2.gz DYHHDQYNSSJOIG-AWEZNQCLSA-N 1 2 344.444 1.768 20 30 EDEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000940712768 700858337 /nfs/dbraw/zinc/85/83/37/700858337.db2.gz YXBSKCUXCYUVHY-UKRRQHHQSA-N 1 2 341.415 1.217 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N[C@H]3CCN(CC#N)CC3(C)C)ccn12 ZINC000940746867 700872980 /nfs/dbraw/zinc/87/29/80/700872980.db2.gz CUATVJUMQLPVCU-HNNXBMFYSA-N 1 2 325.416 1.997 20 30 EDEDLO Cc1cnn(C)c1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031908861 700892014 /nfs/dbraw/zinc/89/20/14/700892014.db2.gz PJKVEJASSVPKPY-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941067302 701115085 /nfs/dbraw/zinc/11/50/85/701115085.db2.gz AGQFCIFRIIQIIJ-HUUCEWRRSA-N 1 2 340.489 1.051 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941067302 701115087 /nfs/dbraw/zinc/11/50/87/701115087.db2.gz AGQFCIFRIIQIIJ-HUUCEWRRSA-N 1 2 340.489 1.051 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)CC[C@H]21 ZINC000945949669 701307454 /nfs/dbraw/zinc/30/74/54/701307454.db2.gz BZIYMSQZIRRDQM-NVXWUHKLSA-N 1 2 340.427 1.123 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000941228552 701417623 /nfs/dbraw/zinc/41/76/23/701417623.db2.gz MWMIUZMRMIBBEK-HUUCEWRRSA-N 1 2 342.443 1.519 20 30 EDEDLO CCCC(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941280841 701442085 /nfs/dbraw/zinc/44/20/85/701442085.db2.gz OWILLSGQNIJXGC-UHFFFAOYSA-N 1 2 326.444 1.687 20 30 EDEDLO C[C@@H]1C[C@H]1C(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941292935 701451515 /nfs/dbraw/zinc/45/15/15/701451515.db2.gz RDEZUQQOKBKJFY-DNVCBOLYSA-N 1 2 338.455 1.543 20 30 EDEDLO N#Cc1cccc(C[NH+]2CC(N3CCN(C(=O)c4ccc[nH]4)CC3)C2)c1 ZINC000941310544 701467378 /nfs/dbraw/zinc/46/73/78/701467378.db2.gz OGRAWYFXDYKBKZ-UHFFFAOYSA-N 1 2 349.438 1.529 20 30 EDEDLO C/C=C(\C)C(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941367001 701492937 /nfs/dbraw/zinc/49/29/37/701492937.db2.gz XBVHOMJNZGJPIO-HQYXKAPLSA-N 1 2 338.455 1.853 20 30 EDEDLO CCCc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)CC[C@@H]3C2)no1 ZINC000946518573 706604150 /nfs/dbraw/zinc/60/41/50/706604150.db2.gz XQUYFQKMYBMBBN-KFWWJZLASA-N 1 2 345.447 1.852 20 30 EDEDLO CCCc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C)C#N)CC[C@@H]3C2)no1 ZINC000946518573 706604153 /nfs/dbraw/zinc/60/41/53/706604153.db2.gz XQUYFQKMYBMBBN-KFWWJZLASA-N 1 2 345.447 1.852 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC4(CC4)C3)CC2)C1 ZINC000941410440 701518568 /nfs/dbraw/zinc/51/85/68/701518568.db2.gz HWVXUJVJSRBBPG-KRWDZBQOSA-N 1 2 329.488 1.809 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)c3ccncc3)CC2)C1 ZINC000941455783 701542744 /nfs/dbraw/zinc/54/27/44/701542744.db2.gz FDIBJRUBJGQOAZ-MRXNPFEDSA-N 1 2 326.444 1.037 20 30 EDEDLO O=C(C#CC1CC1)N1CCC2(CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000944381069 701851366 /nfs/dbraw/zinc/85/13/66/701851366.db2.gz JXUHRBHWXNAGRX-UHFFFAOYSA-N 1 2 340.427 1.138 20 30 EDEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047346 702012986 /nfs/dbraw/zinc/01/29/86/702012986.db2.gz PYFWGUPLYBWJSC-NVXWUHKLSA-N 1 2 337.427 1.226 20 30 EDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047346 702012989 /nfs/dbraw/zinc/01/29/89/702012989.db2.gz PYFWGUPLYBWJSC-NVXWUHKLSA-N 1 2 337.427 1.226 20 30 EDEDLO COCc1noc([C@@H](C)[NH2+][C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995798864 702039474 /nfs/dbraw/zinc/03/94/74/702039474.db2.gz PITBMDIGIJCQLH-OCCSQVGLSA-N 1 2 346.431 1.517 20 30 EDEDLO Cn1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001032184588 702215958 /nfs/dbraw/zinc/21/59/58/702215958.db2.gz KDAAFCZXYGQOPI-UHFFFAOYSA-N 1 2 327.363 1.293 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)s1 ZINC000941969043 702230978 /nfs/dbraw/zinc/23/09/78/702230978.db2.gz ZXKLWSZWVLABLT-ZWNOBZJWSA-N 1 2 344.444 1.687 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)s1 ZINC000941969043 702230983 /nfs/dbraw/zinc/23/09/83/702230983.db2.gz ZXKLWSZWVLABLT-ZWNOBZJWSA-N 1 2 344.444 1.687 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cnns2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941962610 702247552 /nfs/dbraw/zinc/24/75/52/702247552.db2.gz GDKHIDNAMUNOGT-YGRLFVJLSA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cnns2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941962610 702247559 /nfs/dbraw/zinc/24/75/59/702247559.db2.gz GDKHIDNAMUNOGT-YGRLFVJLSA-N 1 2 330.417 1.378 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)no3)C[C@@H]2C)cn1 ZINC000944213666 702542212 /nfs/dbraw/zinc/54/22/12/702542212.db2.gz FWSDBGPKHMEOIJ-BLLLJJGKSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)no3)C[C@@H]2C)cn1 ZINC000944213666 702542216 /nfs/dbraw/zinc/54/22/16/702542216.db2.gz FWSDBGPKHMEOIJ-BLLLJJGKSA-N 1 2 339.399 1.395 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000996336372 702718512 /nfs/dbraw/zinc/71/85/12/702718512.db2.gz SABHNRPXJTVKGX-MRXNPFEDSA-N 1 2 349.475 1.027 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000996336372 702718514 /nfs/dbraw/zinc/71/85/14/702718514.db2.gz SABHNRPXJTVKGX-MRXNPFEDSA-N 1 2 349.475 1.027 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000942217037 702719646 /nfs/dbraw/zinc/71/96/46/702719646.db2.gz VESKDTAYFWDGCU-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000942217037 702719649 /nfs/dbraw/zinc/71/96/49/702719649.db2.gz VESKDTAYFWDGCU-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO CCn1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001032028071 703058893 /nfs/dbraw/zinc/05/88/93/703058893.db2.gz DYBHFLNJMXIITE-UHFFFAOYSA-N 1 2 341.390 1.776 20 30 EDEDLO C=CCCN1CC[NH+](C2CCC(NC(=O)c3ncn[nH]3)CC2)CC1 ZINC000996788347 703076869 /nfs/dbraw/zinc/07/68/69/703076869.db2.gz CWKGFTNKMLJMEE-UHFFFAOYSA-N 1 2 332.452 1.039 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cn(C)nc1C ZINC001032410284 703439968 /nfs/dbraw/zinc/43/99/68/703439968.db2.gz URROSVHCLBVNCM-FJIDUMEYSA-N 1 2 344.459 1.495 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cn(C)nc1C ZINC001032410284 703439969 /nfs/dbraw/zinc/43/99/69/703439969.db2.gz URROSVHCLBVNCM-FJIDUMEYSA-N 1 2 344.459 1.495 20 30 EDEDLO C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C1CCN(CC#N)CC1 ZINC000997245286 703531176 /nfs/dbraw/zinc/53/11/76/703531176.db2.gz VEHXONRWUZOQHY-QAPCUYQASA-N 1 2 348.491 1.228 20 30 EDEDLO C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C1CCN(CC#N)CC1 ZINC000997245286 703531177 /nfs/dbraw/zinc/53/11/77/703531177.db2.gz VEHXONRWUZOQHY-QAPCUYQASA-N 1 2 348.491 1.228 20 30 EDEDLO C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CCN(CC#N)CC1 ZINC000997281179 703546313 /nfs/dbraw/zinc/54/63/13/703546313.db2.gz ZOMAQBKSJPODRI-CRAIPNDOSA-N 1 2 348.491 1.370 20 30 EDEDLO C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CCN(CC#N)CC1 ZINC000997281179 703546315 /nfs/dbraw/zinc/54/63/15/703546315.db2.gz ZOMAQBKSJPODRI-CRAIPNDOSA-N 1 2 348.491 1.370 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)Cc3c[nH+]ccc3OC)C2)cc1 ZINC000997336305 703560311 /nfs/dbraw/zinc/56/03/11/703560311.db2.gz BOLIINOTOHDDRZ-UHFFFAOYSA-N 1 2 349.390 1.255 20 30 EDEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000997533086 703786229 /nfs/dbraw/zinc/78/62/29/703786229.db2.gz IBZADIRSUSIFIF-LBPRGKRZSA-N 1 2 341.419 1.045 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2nc(CC3CC3)no2)C(C)(C)C1 ZINC000995567047 704006716 /nfs/dbraw/zinc/00/67/16/704006716.db2.gz VPAYVJHJZHMPKY-YPMHNXCESA-N 1 2 331.420 1.508 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000999293137 706790532 /nfs/dbraw/zinc/79/05/32/706790532.db2.gz PTKQVWBWKSBQIP-CYBMUJFWSA-N 1 2 328.416 1.129 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2csnn2)c1 ZINC001032544474 704645455 /nfs/dbraw/zinc/64/54/55/704645455.db2.gz UYFGQSRTDNLMKI-KBPBESRZSA-N 1 2 325.397 1.509 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2csnn2)c1 ZINC001032544474 704645457 /nfs/dbraw/zinc/64/54/57/704645457.db2.gz UYFGQSRTDNLMKI-KBPBESRZSA-N 1 2 325.397 1.509 20 30 EDEDLO CCc1nnc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)o1 ZINC000995650984 704731091 /nfs/dbraw/zinc/73/10/91/704731091.db2.gz NQYUVGNLEYBOQX-CYBMUJFWSA-N 1 2 342.403 1.472 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2c(C)noc2C)c1 ZINC001032617095 705643892 /nfs/dbraw/zinc/64/38/92/705643892.db2.gz LFZJYIVDPQTMKM-IRXDYDNUSA-N 1 2 336.395 1.767 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2c(C)noc2C)c1 ZINC001032617095 705643894 /nfs/dbraw/zinc/64/38/94/705643894.db2.gz LFZJYIVDPQTMKM-IRXDYDNUSA-N 1 2 336.395 1.767 20 30 EDEDLO Cn1c(=O)cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032617949 705650508 /nfs/dbraw/zinc/65/05/08/705650508.db2.gz BWGNCOKSDUFGHN-ROUUACIJSA-N 1 2 347.418 1.336 20 30 EDEDLO Cn1c(=O)cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032617949 705650512 /nfs/dbraw/zinc/65/05/12/705650512.db2.gz BWGNCOKSDUFGHN-ROUUACIJSA-N 1 2 347.418 1.336 20 30 EDEDLO CN(C(=O)c1cc(C#N)c[nH]1)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000998592370 706033008 /nfs/dbraw/zinc/03/30/08/706033008.db2.gz UFAMDLDXBCXDSP-UHFFFAOYSA-N 1 2 340.387 1.540 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000999358895 706849004 /nfs/dbraw/zinc/84/90/04/706849004.db2.gz KIOMUGSIKPSMPX-CYBMUJFWSA-N 1 2 331.445 1.920 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2C[N@H+](Cc3nnn(C)n3)C[C@H]2CC1 ZINC000946714428 707196444 /nfs/dbraw/zinc/19/64/44/707196444.db2.gz UYCSWGQEUJIIJW-OKILXGFUSA-N 1 2 332.452 1.093 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3nnn(C)n3)C[C@H]2CC1 ZINC000946714428 707196446 /nfs/dbraw/zinc/19/64/46/707196446.db2.gz UYCSWGQEUJIIJW-OKILXGFUSA-N 1 2 332.452 1.093 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033431459 707863566 /nfs/dbraw/zinc/86/35/66/707863566.db2.gz CSNJZBFNEMAXCC-ZACQAIPSSA-N 1 2 332.448 1.352 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033431459 707863568 /nfs/dbraw/zinc/86/35/68/707863568.db2.gz CSNJZBFNEMAXCC-ZACQAIPSSA-N 1 2 332.448 1.352 20 30 EDEDLO C=C(Br)CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815225 708149534 /nfs/dbraw/zinc/14/95/34/708149534.db2.gz KWAYQBRPDHWMRW-RYUDHWBXSA-N 1 2 325.210 1.077 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001033668043 708456318 /nfs/dbraw/zinc/45/63/18/708456318.db2.gz DPPQAOGEIICZFA-CABCVRRESA-N 1 2 341.883 1.919 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001033668043 708456320 /nfs/dbraw/zinc/45/63/20/708456320.db2.gz DPPQAOGEIICZFA-CABCVRRESA-N 1 2 341.883 1.919 20 30 EDEDLO N#Cc1ccc(N[C@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001061096639 709041378 /nfs/dbraw/zinc/04/13/78/709041378.db2.gz VVHNBNOHFIMJLC-QWHCGFSZSA-N 1 2 325.376 1.084 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H](Nc2ccc(C#N)nn2)C1 ZINC001061099292 709079064 /nfs/dbraw/zinc/07/90/64/709079064.db2.gz VBRMXSXQQHURRK-STQMWFEESA-N 1 2 339.403 1.462 20 30 EDEDLO CCn1c(C)nnc1C[NH+]1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001002551474 709098671 /nfs/dbraw/zinc/09/86/71/709098671.db2.gz LRBBMDLXVXOKMN-UHFFFAOYSA-N 1 2 341.419 1.201 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001034056075 709287550 /nfs/dbraw/zinc/28/75/50/709287550.db2.gz GJUYAULLHJHUTR-ZDUSSCGKSA-N 1 2 336.823 1.469 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001034056075 709287552 /nfs/dbraw/zinc/28/75/52/709287552.db2.gz GJUYAULLHJHUTR-ZDUSSCGKSA-N 1 2 336.823 1.469 20 30 EDEDLO Cc1cc(C#N)nc(N[C@H]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001061137050 709348118 /nfs/dbraw/zinc/34/81/18/709348118.db2.gz RCXRDQBFGYNCMD-OLZOCXBDSA-N 1 2 339.403 1.462 20 30 EDEDLO N#Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccc1F ZINC001002782591 709388542 /nfs/dbraw/zinc/38/85/42/709388542.db2.gz LZZYEVJKHUSATD-GDBMZVCRSA-N 1 2 346.362 1.443 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001005517293 709436238 /nfs/dbraw/zinc/43/62/38/709436238.db2.gz MBAWPCOJVYZNEX-ZUMXRPEOSA-N 1 2 330.432 1.803 20 30 EDEDLO CN(c1cncc(C#N)n1)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001061204725 709664219 /nfs/dbraw/zinc/66/42/19/709664219.db2.gz ZAXDIXCHSYEOTB-AWEZNQCLSA-N 1 2 339.403 1.131 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](N(C)c2cnc(C#N)cn2)C1 ZINC001061220831 709786905 /nfs/dbraw/zinc/78/69/05/709786905.db2.gz MZRQVISPJIMQBM-AWEZNQCLSA-N 1 2 339.403 1.050 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](N(C)c2ccc(C#N)nc2)C1 ZINC001061220856 709787488 /nfs/dbraw/zinc/78/74/88/709787488.db2.gz NXLDMDMFTPLBQX-MRXNPFEDSA-N 1 2 338.415 1.655 20 30 EDEDLO C=CCCn1cc(C(=O)NC[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)nn1 ZINC001061751277 710010275 /nfs/dbraw/zinc/01/02/75/710010275.db2.gz QCKJYTHOVCFOBD-AWEZNQCLSA-N 1 2 341.419 1.209 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001061268463 710377285 /nfs/dbraw/zinc/37/72/85/710377285.db2.gz USZHNBYGRCDZQC-XHSDSOJGSA-N 1 2 330.432 1.803 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2cnon2)CC1 ZINC001003821083 710612233 /nfs/dbraw/zinc/61/22/33/710612233.db2.gz WGBYUZFTJIYXEI-UHFFFAOYSA-N 1 2 329.335 1.475 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001061794518 710912418 /nfs/dbraw/zinc/91/24/18/710912418.db2.gz MBTVTROONKUUNQ-LSDHHAIUSA-N 1 2 348.447 1.288 20 30 EDEDLO C#CCOc1ncccc1C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001003992286 711211891 /nfs/dbraw/zinc/21/18/91/711211891.db2.gz MWFJFCQUXXFPEX-UHFFFAOYSA-N 1 2 340.383 1.476 20 30 EDEDLO O=C(C#CC1CC1)N1CCC[C@@H]1C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC001034935490 711362796 /nfs/dbraw/zinc/36/27/96/711362796.db2.gz SJIIVHJFFHAYGX-GOSISDBHSA-N 1 2 349.438 1.761 20 30 EDEDLO N#Cc1cnc(N2CCC[C@H]2CNC(=O)c2cccc3[nH+]ccn32)cn1 ZINC001061414152 711604186 /nfs/dbraw/zinc/60/41/86/711604186.db2.gz WHITYAIFIMWKHZ-AWEZNQCLSA-N 1 2 347.382 1.395 20 30 EDEDLO Cn1cc(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c(Cl)n1 ZINC001004548771 711959393 /nfs/dbraw/zinc/95/93/93/711959393.db2.gz UOLMRFAOWXTUKI-OAHLLOKOSA-N 1 2 349.866 1.843 20 30 EDEDLO Cn1cc(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c(Cl)n1 ZINC001004548771 711959394 /nfs/dbraw/zinc/95/93/94/711959394.db2.gz UOLMRFAOWXTUKI-OAHLLOKOSA-N 1 2 349.866 1.843 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000052216063 214122302 /nfs/dbraw/zinc/12/23/02/214122302.db2.gz IPIBIZAUWXNOQZ-ZDUSSCGKSA-N 1 2 341.415 1.375 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)CCN1CC(F)F ZINC000153655881 529385313 /nfs/dbraw/zinc/38/53/13/529385313.db2.gz VJFGQAVNUCBIEG-CQSZACIVSA-N 1 2 342.434 1.990 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)CCN1CC(F)F ZINC000153655881 529385315 /nfs/dbraw/zinc/38/53/15/529385315.db2.gz VJFGQAVNUCBIEG-CQSZACIVSA-N 1 2 342.434 1.990 20 30 EDEDLO C[NH+](C)[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)c1c(F)cccc1F ZINC000115843709 282173691 /nfs/dbraw/zinc/17/36/91/282173691.db2.gz MXEMYQVNFFRKGL-RISCZKNCSA-N 1 2 338.358 1.501 20 30 EDEDLO N#Cc1cccc(-c2nnc(CN3CC[C@H]([NH+]4CCOCC4)C3)o2)c1 ZINC000329739848 539461672 /nfs/dbraw/zinc/46/16/72/539461672.db2.gz NSHQTIZLIILPSU-INIZCTEOSA-N 1 2 339.399 1.515 20 30 EDEDLO N#Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000046040807 138114210 /nfs/dbraw/zinc/11/42/10/138114210.db2.gz IDXJDGMOWRQAPM-UHFFFAOYSA-N 1 2 335.411 1.981 20 30 EDEDLO C[C@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[NH+]1CCOCC1 ZINC000133381637 138392439 /nfs/dbraw/zinc/39/24/39/138392439.db2.gz XQCROOVXSMZWPX-CQSZACIVSA-N 1 2 344.415 1.052 20 30 EDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000187004917 236091762 /nfs/dbraw/zinc/09/17/62/236091762.db2.gz KANNVEYQPYVXAL-LLVKDONJSA-N 1 2 342.852 1.217 20 30 EDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000187004917 236091764 /nfs/dbraw/zinc/09/17/64/236091764.db2.gz KANNVEYQPYVXAL-LLVKDONJSA-N 1 2 342.852 1.217 20 30 EDEDLO Cc1sc(NC(=O)CN2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C#N)c1C ZINC000154463397 138516823 /nfs/dbraw/zinc/51/68/23/138516823.db2.gz XBRVVRTYUGIPKX-UONOGXRCSA-N 1 2 334.445 1.190 20 30 EDEDLO Cc1sc(NC(=O)CN2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(C#N)c1C ZINC000154463397 138516825 /nfs/dbraw/zinc/51/68/25/138516825.db2.gz XBRVVRTYUGIPKX-UONOGXRCSA-N 1 2 334.445 1.190 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000106318146 237081223 /nfs/dbraw/zinc/08/12/23/237081223.db2.gz CYCVGONMIGCTAM-UHFFFAOYSA-N 1 2 338.415 1.836 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000108608456 237101825 /nfs/dbraw/zinc/10/18/25/237101825.db2.gz YXGVGYQGESULPJ-CYBMUJFWSA-N 1 2 346.456 1.651 20 30 EDEDLO C[C@H](CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)n1cc[nH+]c1 ZINC000566304805 306408291 /nfs/dbraw/zinc/40/82/91/306408291.db2.gz MPWGEMHFOFFSRZ-ZIAGYGMSSA-N 1 2 339.403 1.233 20 30 EDEDLO N#Cc1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccn1 ZINC000195082450 139006583 /nfs/dbraw/zinc/00/65/83/139006583.db2.gz QLDALOMLQRSENZ-GOSISDBHSA-N 1 2 336.395 1.757 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000282905373 249549369 /nfs/dbraw/zinc/54/93/69/249549369.db2.gz FWHZULFMNKEEFY-CYBMUJFWSA-N 1 2 337.449 1.250 20 30 EDEDLO CCOc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1O ZINC000283981931 249586763 /nfs/dbraw/zinc/58/67/63/249586763.db2.gz JDOFRYYQOCZTBD-UHFFFAOYSA-N 1 2 333.432 1.839 20 30 EDEDLO C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)Cn3cc[nH+]c3)cc2C1=O ZINC000343144860 250011374 /nfs/dbraw/zinc/01/13/74/250011374.db2.gz WYTJGOWKNOFDOR-GFCCVEGCSA-N 1 2 338.367 1.484 20 30 EDEDLO C=CCNC(=O)Cc1noc(Cn2c(C)[nH+]c3cc(F)c(F)cc32)n1 ZINC000346991334 250051262 /nfs/dbraw/zinc/05/12/62/250051262.db2.gz XDJCFKKEVOIUGO-UHFFFAOYSA-N 1 2 347.325 1.899 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000352248623 250076823 /nfs/dbraw/zinc/07/68/23/250076823.db2.gz BUJKGUSKBKXNPV-GOEBONIOSA-N 1 2 331.416 1.922 20 30 EDEDLO CCCN1C(=O)CC[C@H](C(=O)N[C@H](C)CC#N)[C@@H]1c1c[nH+]cn1C ZINC000355380258 250113452 /nfs/dbraw/zinc/11/34/52/250113452.db2.gz VIPPUNOUWOZJPJ-DVOMOZLQSA-N 1 2 331.420 1.528 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000358699225 250142980 /nfs/dbraw/zinc/14/29/80/250142980.db2.gz VSTPYIICYBWCDV-UHFFFAOYSA-N 1 2 332.452 1.577 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cn1cc2ccccc2n1 ZINC000358896376 250147194 /nfs/dbraw/zinc/14/71/94/250147194.db2.gz LVKYKNFUXWBLGO-UHFFFAOYSA-N 1 2 341.415 1.111 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1C ZINC000249062664 139184396 /nfs/dbraw/zinc/18/43/96/139184396.db2.gz JSIPFFUGVBNNRA-YUTCNCBUSA-N 1 2 347.440 1.856 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1C ZINC000249062664 139184397 /nfs/dbraw/zinc/18/43/97/139184397.db2.gz JSIPFFUGVBNNRA-YUTCNCBUSA-N 1 2 347.440 1.856 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC3CCC(C#N)CC3)C2)CC1 ZINC000373869767 250246908 /nfs/dbraw/zinc/24/69/08/250246908.db2.gz MCNSDDHLBPJWNB-DAWZGUTISA-N 1 2 347.507 1.738 20 30 EDEDLO CN(CC(=O)N(CCC#N)CCC#N)Cc1cn2c([nH+]1)CCCC2 ZINC000372998576 250230559 /nfs/dbraw/zinc/23/05/59/250230559.db2.gz PQTWUVGEZXRPRQ-UHFFFAOYSA-N 1 2 328.420 1.307 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)C1CC1 ZINC000374879894 250273659 /nfs/dbraw/zinc/27/36/59/250273659.db2.gz KRHRLGHAVIOMRM-ROUUACIJSA-N 1 2 331.391 1.527 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)C1CC1 ZINC000374879894 250273664 /nfs/dbraw/zinc/27/36/64/250273664.db2.gz KRHRLGHAVIOMRM-ROUUACIJSA-N 1 2 331.391 1.527 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1=O ZINC000374064641 250251481 /nfs/dbraw/zinc/25/14/81/250251481.db2.gz YCKLAAROCSEUIL-DLBZAZTESA-N 1 2 342.443 1.291 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1=O ZINC000374064641 250251485 /nfs/dbraw/zinc/25/14/85/250251485.db2.gz YCKLAAROCSEUIL-DLBZAZTESA-N 1 2 342.443 1.291 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)C1=O ZINC000374104736 250253209 /nfs/dbraw/zinc/25/32/09/250253209.db2.gz FTAHSBYKHTXBAL-JKSUJKDBSA-N 1 2 341.411 1.033 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)C1=O ZINC000374104736 250253211 /nfs/dbraw/zinc/25/32/11/250253211.db2.gz FTAHSBYKHTXBAL-JKSUJKDBSA-N 1 2 341.411 1.033 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cccs3)CC2)C1=O ZINC000374151164 250254091 /nfs/dbraw/zinc/25/40/91/250254091.db2.gz LEWSZAOKBUHOPS-AWEZNQCLSA-N 1 2 333.457 1.683 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cccs3)CC2)C1=O ZINC000374151164 250254095 /nfs/dbraw/zinc/25/40/95/250254095.db2.gz LEWSZAOKBUHOPS-AWEZNQCLSA-N 1 2 333.457 1.683 20 30 EDEDLO CNS(=O)(=O)c1cccc([C@H](C)Nc2cc(C)[nH+]cc2C#N)c1 ZINC000425226312 252303509 /nfs/dbraw/zinc/30/35/09/252303509.db2.gz NKPXZWQHJPTRHO-LBPRGKRZSA-N 1 2 330.413 1.765 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCOC2)CC1 ZINC000491067509 255117847 /nfs/dbraw/zinc/11/78/47/255117847.db2.gz IRBCPIMSEHQGOA-INIZCTEOSA-N 1 2 331.464 1.268 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(NC(C)=O)ccc2C)CC1 ZINC000490762814 255105794 /nfs/dbraw/zinc/10/57/94/255105794.db2.gz MZJFZAUILZRCGT-UHFFFAOYSA-N 1 2 328.416 1.143 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000490876903 255108026 /nfs/dbraw/zinc/10/80/26/255108026.db2.gz VQYDOFZLLIFPCU-UHFFFAOYSA-N 1 2 341.411 1.118 20 30 EDEDLO C#C[C@@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(C)C ZINC000491633895 255134951 /nfs/dbraw/zinc/13/49/51/255134951.db2.gz QBIBUDVJUIOTQK-OAHLLOKOSA-N 1 2 343.431 1.249 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000491727062 255145358 /nfs/dbraw/zinc/14/53/58/255145358.db2.gz KTYURBWICNIBCV-DOTOQJQBSA-N 1 2 344.459 1.935 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000491727062 255145360 /nfs/dbraw/zinc/14/53/60/255145360.db2.gz KTYURBWICNIBCV-DOTOQJQBSA-N 1 2 344.459 1.935 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(SC)cc2OC)CC1 ZINC000491626214 255133566 /nfs/dbraw/zinc/13/35/66/255133566.db2.gz IMZJQNDCFDXVMX-UHFFFAOYSA-N 1 2 333.457 1.606 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)/C=C\c1cccc(C#N)c1 ZINC000493799056 255221874 /nfs/dbraw/zinc/22/18/74/255221874.db2.gz XENPNHZPUGWOKA-GDQHDYBHSA-N 1 2 349.394 1.441 20 30 EDEDLO COCCO[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000189650002 533196288 /nfs/dbraw/zinc/19/62/88/533196288.db2.gz JVAJLDBJKSDVAR-AWEZNQCLSA-N 1 2 337.807 1.887 20 30 EDEDLO COCCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000189650002 533196289 /nfs/dbraw/zinc/19/62/89/533196289.db2.gz JVAJLDBJKSDVAR-AWEZNQCLSA-N 1 2 337.807 1.887 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496040927 255345417 /nfs/dbraw/zinc/34/54/17/255345417.db2.gz DYXSSMSNIGSOPI-GFCCVEGCSA-N 1 2 335.408 1.623 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1C ZINC000117370073 221058716 /nfs/dbraw/zinc/05/87/16/221058716.db2.gz ZPAOOGFRLSHLCJ-GFCCVEGCSA-N 1 2 341.408 1.039 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1C ZINC000117370073 221058720 /nfs/dbraw/zinc/05/87/20/221058720.db2.gz ZPAOOGFRLSHLCJ-GFCCVEGCSA-N 1 2 341.408 1.039 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1C ZINC000117370249 221058884 /nfs/dbraw/zinc/05/88/84/221058884.db2.gz FSNKOPFOKWUCKT-CQSZACIVSA-N 1 2 337.445 1.041 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1C ZINC000117370249 221058888 /nfs/dbraw/zinc/05/88/88/221058888.db2.gz FSNKOPFOKWUCKT-CQSZACIVSA-N 1 2 337.445 1.041 20 30 EDEDLO N#Cc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000264269914 139391921 /nfs/dbraw/zinc/39/19/21/139391921.db2.gz FYXPDTFGGFMUGN-UHFFFAOYSA-N 1 2 325.372 1.339 20 30 EDEDLO C[C@@H]1CCCC[C@H]1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000112887863 533618418 /nfs/dbraw/zinc/61/84/18/533618418.db2.gz WWGKVQJRGHMZCZ-IAGOWNOFSA-N 1 2 337.464 1.656 20 30 EDEDLO COCCCOCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271841799 140359493 /nfs/dbraw/zinc/35/94/93/140359493.db2.gz SYXGMIHJWMWIKI-UHFFFAOYSA-N 1 2 331.416 1.256 20 30 EDEDLO COC(=O)C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000321788087 140661047 /nfs/dbraw/zinc/66/10/47/140661047.db2.gz UIDGWXSZLFYSGX-LBPRGKRZSA-N 1 2 337.401 1.212 20 30 EDEDLO COC(=O)C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000321788087 140661048 /nfs/dbraw/zinc/66/10/48/140661048.db2.gz UIDGWXSZLFYSGX-LBPRGKRZSA-N 1 2 337.401 1.212 20 30 EDEDLO Cc1onc(CC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1C#N ZINC000331873931 141092221 /nfs/dbraw/zinc/09/22/21/141092221.db2.gz NKINEMIFYOARCW-UHFFFAOYSA-N 1 2 341.371 1.576 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CCN1C ZINC000332367314 141169893 /nfs/dbraw/zinc/16/98/93/141169893.db2.gz WCQXHPNZPAHXTP-ZDUSSCGKSA-N 1 2 344.806 1.469 20 30 EDEDLO Cc1cc(C#N)cc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000339971793 142216577 /nfs/dbraw/zinc/21/65/77/142216577.db2.gz CBPAGXFQPNBUCE-UHFFFAOYSA-N 1 2 334.387 1.265 20 30 EDEDLO CO[C@H]1C[C@@H](c2nnc[nH]2)[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000344733758 143004730 /nfs/dbraw/zinc/00/47/30/143004730.db2.gz XBRLUIIPCONABC-ZFWWWQNUSA-N 1 2 340.387 1.467 20 30 EDEDLO CO[C@H]1C[C@@H](c2nnc[nH]2)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000344733758 143004731 /nfs/dbraw/zinc/00/47/31/143004731.db2.gz XBRLUIIPCONABC-ZFWWWQNUSA-N 1 2 340.387 1.467 20 30 EDEDLO Cc1nn(C)c(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1C#N ZINC000346649578 143226408 /nfs/dbraw/zinc/22/64/08/143226408.db2.gz IGRSTZBRDCAWEQ-UHFFFAOYSA-N 1 2 335.415 1.570 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)c1C#N ZINC000346666933 143228937 /nfs/dbraw/zinc/22/89/37/143228937.db2.gz IAKCQBLSRXIAFH-CQSZACIVSA-N 1 2 344.463 1.123 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000347976610 143386416 /nfs/dbraw/zinc/38/64/16/143386416.db2.gz KKXUDMFPBHDXGW-ZFWWWQNUSA-N 1 2 341.333 1.562 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000347976610 143386417 /nfs/dbraw/zinc/38/64/17/143386417.db2.gz KKXUDMFPBHDXGW-ZFWWWQNUSA-N 1 2 341.333 1.562 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000355501733 150294978 /nfs/dbraw/zinc/29/49/78/150294978.db2.gz HSYHTYKZCSVEKO-CQSZACIVSA-N 1 2 345.418 1.908 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)cn1 ZINC000358341322 151342867 /nfs/dbraw/zinc/34/28/67/151342867.db2.gz BDCSKWAYJQOKDI-UHFFFAOYSA-N 1 2 342.378 1.781 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000360402935 152023086 /nfs/dbraw/zinc/02/30/86/152023086.db2.gz YGABFZPMXLHWLQ-HIFRSBDPSA-N 1 2 341.367 1.075 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000360402935 152023087 /nfs/dbraw/zinc/02/30/87/152023087.db2.gz YGABFZPMXLHWLQ-HIFRSBDPSA-N 1 2 341.367 1.075 20 30 EDEDLO C[C@H](C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)c1cccc(C#N)c1 ZINC000360729578 152173490 /nfs/dbraw/zinc/17/34/90/152173490.db2.gz PVKOYWPNULCKLD-YOEHRIQHSA-N 1 2 337.427 1.911 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000367438363 154122285 /nfs/dbraw/zinc/12/22/85/154122285.db2.gz MNIBWQNQYOXCGV-LSDHHAIUSA-N 1 2 328.372 1.358 20 30 EDEDLO CC(C)(C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc(F)cc(C#N)c1 ZINC000367569841 154179378 /nfs/dbraw/zinc/17/93/78/154179378.db2.gz DCQIUAFOIGKMGE-KRWDZBQOSA-N 1 2 345.418 1.954 20 30 EDEDLO CC(C)(C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc(F)cc(C#N)c1 ZINC000367569841 154179380 /nfs/dbraw/zinc/17/93/80/154179380.db2.gz DCQIUAFOIGKMGE-KRWDZBQOSA-N 1 2 345.418 1.954 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@]34CCOC4)CC2)cc1 ZINC000372052238 156226282 /nfs/dbraw/zinc/22/62/82/156226282.db2.gz BUYVGLYWLWNWOQ-IEBWSBKVSA-N 1 2 325.412 1.629 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374340971 157252087 /nfs/dbraw/zinc/25/20/87/157252087.db2.gz MQWDHDLYGDAANR-CQSZACIVSA-N 1 2 337.383 1.555 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000377425384 157931379 /nfs/dbraw/zinc/93/13/79/157931379.db2.gz DADFZJMGYNQIMT-UHFFFAOYSA-N 1 2 344.440 1.753 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000408459042 158367493 /nfs/dbraw/zinc/36/74/93/158367493.db2.gz HICRPKBUTXIQEY-VXGBXAGGSA-N 1 2 325.409 1.552 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000408459042 158367496 /nfs/dbraw/zinc/36/74/96/158367496.db2.gz HICRPKBUTXIQEY-VXGBXAGGSA-N 1 2 325.409 1.552 20 30 EDEDLO C[C@@H](CC#N)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000493973151 286793548 /nfs/dbraw/zinc/79/35/48/286793548.db2.gz KOJYLGIZVDVRER-NORZTCDRSA-N 1 2 329.404 1.281 20 30 EDEDLO CSCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000171337114 227022295 /nfs/dbraw/zinc/02/22/95/227022295.db2.gz APWPSEARQCJKIH-UHFFFAOYSA-N 1 2 325.459 1.228 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000153136095 287620977 /nfs/dbraw/zinc/62/09/77/287620977.db2.gz JCLPLUZMHGQOCQ-GOSISDBHSA-N 1 2 335.411 1.297 20 30 EDEDLO COc1cc[nH+]cc1CNC(=O)NCCOc1ccc(C#N)cc1 ZINC000431985856 269797642 /nfs/dbraw/zinc/79/76/42/269797642.db2.gz IDBTWCBSEIFCGW-UHFFFAOYSA-N 1 2 326.356 1.840 20 30 EDEDLO N#Cc1ncn(-c2ccccc2NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)n1 ZINC000426814774 270012778 /nfs/dbraw/zinc/01/27/78/270012778.db2.gz BBGBDMMGEWDPMI-NSHDSACASA-N 1 2 333.355 1.921 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCCC(=O)N3)CC2)cc1 ZINC000289848371 270010379 /nfs/dbraw/zinc/01/03/79/270010379.db2.gz FIOKDIYKHAOYCO-QGZVFWFLSA-N 1 2 340.427 1.261 20 30 EDEDLO CCc1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)nc1 ZINC000521273506 270015420 /nfs/dbraw/zinc/01/54/20/270015420.db2.gz UISZIMVNMYPPTA-UHFFFAOYSA-N 1 2 338.411 1.558 20 30 EDEDLO CCOC(=O)[C@@H](CC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000411124644 266268123 /nfs/dbraw/zinc/26/81/23/266268123.db2.gz HYKRJZPFPRLLRO-KRWDZBQOSA-N 1 2 343.427 1.792 20 30 EDEDLO CCOCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1CC ZINC000287065065 266279436 /nfs/dbraw/zinc/27/94/36/266279436.db2.gz XFIIUVQMGZBDRL-ZDUSSCGKSA-N 1 2 341.433 1.273 20 30 EDEDLO CCOCC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1CC ZINC000287065065 266279440 /nfs/dbraw/zinc/27/94/40/266279440.db2.gz XFIIUVQMGZBDRL-ZDUSSCGKSA-N 1 2 341.433 1.273 20 30 EDEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000301532064 267015749 /nfs/dbraw/zinc/01/57/49/267015749.db2.gz SCNKIJVPKGAXQC-HZPDHXFCSA-N 1 2 341.459 1.770 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000530919529 267055839 /nfs/dbraw/zinc/05/58/39/267055839.db2.gz RFULLZYSZSZBNM-UHFFFAOYSA-N 1 2 342.443 1.113 20 30 EDEDLO C[C@H]1CCOCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000367666422 267218615 /nfs/dbraw/zinc/21/86/15/267218615.db2.gz VXJDSXGIAVCJMC-AWEZNQCLSA-N 1 2 339.399 1.793 20 30 EDEDLO C[C@H]1CCOCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000367666422 267218617 /nfs/dbraw/zinc/21/86/17/267218617.db2.gz VXJDSXGIAVCJMC-AWEZNQCLSA-N 1 2 339.399 1.793 20 30 EDEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000492841134 267256335 /nfs/dbraw/zinc/25/63/35/267256335.db2.gz QGMXECYGGLRTGT-DRDHIDPGSA-N 1 2 337.383 1.863 20 30 EDEDLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292127191 267345476 /nfs/dbraw/zinc/34/54/76/267345476.db2.gz IMKJNSVMZNMMIO-JSGCOSHPSA-N 1 2 341.371 1.730 20 30 EDEDLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292127191 267345481 /nfs/dbraw/zinc/34/54/81/267345481.db2.gz IMKJNSVMZNMMIO-JSGCOSHPSA-N 1 2 341.371 1.730 20 30 EDEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000526296033 267350695 /nfs/dbraw/zinc/35/06/95/267350695.db2.gz UIILFFVAXRUDDP-ZDUSSCGKSA-N 1 2 327.837 1.725 20 30 EDEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000526296033 267350696 /nfs/dbraw/zinc/35/06/96/267350696.db2.gz UIILFFVAXRUDDP-ZDUSSCGKSA-N 1 2 327.837 1.725 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(CO)ccc1F ZINC000528403868 267770091 /nfs/dbraw/zinc/77/00/91/267770091.db2.gz LFNDLVCFYSKPFP-CYBMUJFWSA-N 1 2 341.390 1.690 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(CO)ccc1F ZINC000528403868 267770094 /nfs/dbraw/zinc/77/00/94/267770094.db2.gz LFNDLVCFYSKPFP-CYBMUJFWSA-N 1 2 341.390 1.690 20 30 EDEDLO N#Cc1c(F)cccc1N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492859185 268165659 /nfs/dbraw/zinc/16/56/59/268165659.db2.gz GDLYFDKGPSNVSY-PLNGDYQASA-N 1 2 325.347 1.782 20 30 EDEDLO N#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000284056095 268248693 /nfs/dbraw/zinc/24/86/93/268248693.db2.gz QKBUFMKOUNOGQS-OAHLLOKOSA-N 1 2 337.383 1.651 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000491702170 276785973 /nfs/dbraw/zinc/78/59/73/276785973.db2.gz QQYQVTCUSNCOOI-CQSZACIVSA-N 1 2 330.388 1.023 20 30 EDEDLO CCN(CC#N)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000345921157 279047164 /nfs/dbraw/zinc/04/71/64/279047164.db2.gz VGGMCHLIBIKGII-CZUORRHYSA-N 1 2 329.404 1.234 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)N2CC[C@H]([NH+]3CCOCC3)C2)c(C#N)c1C ZINC000173993026 279273898 /nfs/dbraw/zinc/27/38/98/279273898.db2.gz WKCVHZIRXJCWPT-HIFRSBDPSA-N 1 2 346.431 1.502 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)c(C#N)c1C ZINC000173993026 279273900 /nfs/dbraw/zinc/27/39/00/279273900.db2.gz WKCVHZIRXJCWPT-HIFRSBDPSA-N 1 2 346.431 1.502 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)c(C#N)c1C ZINC000173993026 279273901 /nfs/dbraw/zinc/27/39/01/279273901.db2.gz WKCVHZIRXJCWPT-HIFRSBDPSA-N 1 2 346.431 1.502 20 30 EDEDLO Cc1nc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)ccc1C#N ZINC000171865652 293161075 /nfs/dbraw/zinc/16/10/75/293161075.db2.gz LWPTVMMRRMSBOM-MRXNPFEDSA-N 1 2 328.416 1.589 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)c1 ZINC000285406535 301224488 /nfs/dbraw/zinc/22/44/88/301224488.db2.gz CUKKECWTVSJEGF-KBAYOESNSA-N 1 2 345.443 1.630 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)c1 ZINC000285406535 301224493 /nfs/dbraw/zinc/22/44/93/301224493.db2.gz CUKKECWTVSJEGF-KBAYOESNSA-N 1 2 345.443 1.630 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414590805 447315361 /nfs/dbraw/zinc/31/53/61/447315361.db2.gz UCUVMYGABSALAX-INIZCTEOSA-N 1 2 329.444 1.754 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414590805 447315367 /nfs/dbraw/zinc/31/53/67/447315367.db2.gz UCUVMYGABSALAX-INIZCTEOSA-N 1 2 329.444 1.754 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCO[C@]4(CCOC4)C3)C2=O)cc1 ZINC000185146411 303194862 /nfs/dbraw/zinc/19/48/62/303194862.db2.gz GIRNELYNRFLWDL-FUHWJXTLSA-N 1 2 327.384 1.155 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCO[C@]4(CCOC4)C3)C2=O)cc1 ZINC000185146411 303194864 /nfs/dbraw/zinc/19/48/64/303194864.db2.gz GIRNELYNRFLWDL-FUHWJXTLSA-N 1 2 327.384 1.155 20 30 EDEDLO CN1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)c2ccc[nH+]c21 ZINC000536587552 306023419 /nfs/dbraw/zinc/02/34/19/306023419.db2.gz WPRKMFWWJHVOAE-UHFFFAOYSA-N 1 2 346.387 1.879 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000555429153 306202407 /nfs/dbraw/zinc/20/24/07/306202407.db2.gz NIEKQBNTYSWFAJ-KRWDZBQOSA-N 1 2 346.456 1.199 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)nc1 ZINC000378445854 447429241 /nfs/dbraw/zinc/42/92/41/447429241.db2.gz VABUJASKMJNLHO-ORAYPTAESA-N 1 2 334.379 1.936 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)nc1 ZINC000378445854 447429243 /nfs/dbraw/zinc/42/92/43/447429243.db2.gz VABUJASKMJNLHO-ORAYPTAESA-N 1 2 334.379 1.936 20 30 EDEDLO N#Cc1cnc(NCc2ccc(N3CCOCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000450235087 447436566 /nfs/dbraw/zinc/43/65/66/447436566.db2.gz WOARVRJSRQSJIV-UHFFFAOYSA-N 1 2 340.343 1.705 20 30 EDEDLO CN(CCC#N)S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000045806608 441041284 /nfs/dbraw/zinc/04/12/84/441041284.db2.gz APVNGZOXLRNVOV-UHFFFAOYSA-N 1 2 327.797 1.168 20 30 EDEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000072283898 441220087 /nfs/dbraw/zinc/22/00/87/441220087.db2.gz OXAXWRCLNXODOT-UHFFFAOYSA-N 1 2 349.398 1.430 20 30 EDEDLO CCCCNC(=O)CO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000063458372 441330416 /nfs/dbraw/zinc/33/04/16/441330416.db2.gz WEKYQLKXZLUAON-UHFFFAOYSA-N 1 2 343.811 1.910 20 30 EDEDLO CC[N@H+](Cc1cnn(C)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083176700 441353751 /nfs/dbraw/zinc/35/37/51/441353751.db2.gz AULSPQRWQDGPHM-CQSZACIVSA-N 1 2 329.429 1.981 20 30 EDEDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083176700 441353753 /nfs/dbraw/zinc/35/37/53/441353753.db2.gz AULSPQRWQDGPHM-CQSZACIVSA-N 1 2 329.429 1.981 20 30 EDEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](O)C2)c1C#N ZINC000074324244 441422720 /nfs/dbraw/zinc/42/27/20/441422720.db2.gz OEMNDCAHWYYLJL-CQSZACIVSA-N 1 2 342.399 1.623 20 30 EDEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](O)C2)c1C#N ZINC000074324244 441422723 /nfs/dbraw/zinc/42/27/23/441422723.db2.gz OEMNDCAHWYYLJL-CQSZACIVSA-N 1 2 342.399 1.623 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000051903363 441427628 /nfs/dbraw/zinc/42/76/28/441427628.db2.gz DUOULMCKSSITKM-CQSZACIVSA-N 1 2 333.436 1.109 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2OCCCOC)CC1 ZINC000085276754 441431745 /nfs/dbraw/zinc/43/17/45/441431745.db2.gz SZENEXOQTHAQPI-UHFFFAOYSA-N 1 2 345.443 1.291 20 30 EDEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCO[C@H](C#N)C1)c1ccccc1 ZINC000074869722 441475101 /nfs/dbraw/zinc/47/51/01/441475101.db2.gz LWXXZVVFFZZMES-CVEARBPZSA-N 1 2 339.399 1.638 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000030218563 441487406 /nfs/dbraw/zinc/48/74/06/441487406.db2.gz PIJSEPDMTUAOTC-VIFPVBQESA-N 1 2 344.209 1.874 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000030218563 441487408 /nfs/dbraw/zinc/48/74/08/441487408.db2.gz PIJSEPDMTUAOTC-VIFPVBQESA-N 1 2 344.209 1.874 20 30 EDEDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000052508667 441455660 /nfs/dbraw/zinc/45/56/60/441455660.db2.gz CMMQEURXGWTVBQ-MRXNPFEDSA-N 1 2 343.475 1.968 20 30 EDEDLO C[C@@H](NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000029444076 441458774 /nfs/dbraw/zinc/45/87/74/441458774.db2.gz FHCLDPIVJHLWRW-MRXNPFEDSA-N 1 2 349.438 1.953 20 30 EDEDLO CC(=O)N1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000053456882 441524755 /nfs/dbraw/zinc/52/47/55/441524755.db2.gz FZACJAVKRBQHNF-UHFFFAOYSA-N 1 2 328.416 1.487 20 30 EDEDLO CC(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000053456882 441524759 /nfs/dbraw/zinc/52/47/59/441524759.db2.gz FZACJAVKRBQHNF-UHFFFAOYSA-N 1 2 328.416 1.487 20 30 EDEDLO C=CC[N@H+](CCOCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559798 441544149 /nfs/dbraw/zinc/54/41/49/441544149.db2.gz HJBAAKBPIDPGHU-INIZCTEOSA-N 1 2 339.457 1.757 20 30 EDEDLO C=CC[N@@H+](CCOCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559798 441544151 /nfs/dbraw/zinc/54/41/51/441544151.db2.gz HJBAAKBPIDPGHU-INIZCTEOSA-N 1 2 339.457 1.757 20 30 EDEDLO COCC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000088484446 441510320 /nfs/dbraw/zinc/51/03/20/441510320.db2.gz CJZVTIBMQPUFIZ-AWEZNQCLSA-N 1 2 337.445 1.290 20 30 EDEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)CSCC#N)CC2)c1 ZINC000032982941 441582290 /nfs/dbraw/zinc/58/22/90/441582290.db2.gz TVPNNHVPYILUFI-UHFFFAOYSA-N 1 2 349.456 1.605 20 30 EDEDLO N#Cc1cccnc1N1CCCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000056555854 441723701 /nfs/dbraw/zinc/72/37/01/441723701.db2.gz CPPISQWJLOBWFF-UHFFFAOYSA-N 1 2 339.403 1.072 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)CSc2nnnn2C2CCCC2)CC1 ZINC000068445032 441799701 /nfs/dbraw/zinc/79/97/01/441799701.db2.gz LFAXZJFPUCVJAB-UHFFFAOYSA-N 1 2 348.476 1.048 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000094155471 441909057 /nfs/dbraw/zinc/90/90/57/441909057.db2.gz WTLGGWYZEBDHMP-CQSZACIVSA-N 1 2 327.432 1.523 20 30 EDEDLO CC[C@H](C)NC(=O)CO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000148960517 441920719 /nfs/dbraw/zinc/92/07/19/441920719.db2.gz UWNUPLXIELBBAV-VIFPVBQESA-N 1 2 343.811 1.909 20 30 EDEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000161014483 441946846 /nfs/dbraw/zinc/94/68/46/441946846.db2.gz MZPPVIYCIRKVPX-SFHVURJKSA-N 1 2 328.412 1.522 20 30 EDEDLO COc1cccc(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078681440 441961548 /nfs/dbraw/zinc/96/15/48/441961548.db2.gz BUQCDWDDELJFFG-UHFFFAOYSA-N 1 2 346.431 1.182 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161466125 442003627 /nfs/dbraw/zinc/00/36/27/442003627.db2.gz AHWSXAZAEZNFFD-CQSZACIVSA-N 1 2 346.353 1.278 20 30 EDEDLO COCCc1noc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000151128558 442010470 /nfs/dbraw/zinc/01/04/70/442010470.db2.gz YLLCKEFHMBKLOS-CQSZACIVSA-N 1 2 346.387 1.002 20 30 EDEDLO COCCc1noc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000151128558 442010473 /nfs/dbraw/zinc/01/04/73/442010473.db2.gz YLLCKEFHMBKLOS-CQSZACIVSA-N 1 2 346.387 1.002 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C=C2CCC(C)(C)CC2)CC1 ZINC000126217170 442089784 /nfs/dbraw/zinc/08/97/84/442089784.db2.gz WMPRBTYONQSLJN-UHFFFAOYSA-N 1 2 345.487 1.797 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C=C2CCC(C)(C)CC2)CC1 ZINC000126217170 442089786 /nfs/dbraw/zinc/08/97/86/442089786.db2.gz WMPRBTYONQSLJN-UHFFFAOYSA-N 1 2 345.487 1.797 20 30 EDEDLO C[C@H](CC#N)N(C)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000163139868 442146214 /nfs/dbraw/zinc/14/62/14/442146214.db2.gz BCASKUOKDGNKJE-OAHLLOKOSA-N 1 2 343.431 1.271 20 30 EDEDLO N#C[C@H]1CN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CCO1 ZINC000175925348 442146611 /nfs/dbraw/zinc/14/66/11/442146611.db2.gz SCLYEAMITSDKQD-INIZCTEOSA-N 1 2 339.399 1.560 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)C1CC1 ZINC000152189668 442178907 /nfs/dbraw/zinc/17/89/07/442178907.db2.gz DEBWMYZGMMWWIM-SCLBCKFNSA-N 1 2 342.447 1.670 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)C1CC1 ZINC000152189668 442178911 /nfs/dbraw/zinc/17/89/11/442178911.db2.gz DEBWMYZGMMWWIM-SCLBCKFNSA-N 1 2 342.447 1.670 20 30 EDEDLO CN(C)C(=O)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)[nH]1 ZINC000126922745 442154233 /nfs/dbraw/zinc/15/42/33/442154233.db2.gz JTJOKISGGHRBGR-UHFFFAOYSA-N 1 2 337.427 1.910 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NCCC[NH2+]C)cc2[nH]c1=S ZINC000121351598 442206186 /nfs/dbraw/zinc/20/61/86/442206186.db2.gz DCLBVYCJFDSQOE-UHFFFAOYSA-N 1 2 332.429 1.211 20 30 EDEDLO Cc1ccc(C#N)c(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)n1 ZINC000127687581 442219744 /nfs/dbraw/zinc/21/97/44/442219744.db2.gz LHPMTUVPBNYXBY-MRXNPFEDSA-N 1 2 341.459 1.785 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000128513181 442271740 /nfs/dbraw/zinc/27/17/40/442271740.db2.gz DMWKWOCETQMXIE-CQSZACIVSA-N 1 2 327.432 1.371 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153323722 442275717 /nfs/dbraw/zinc/27/57/17/442275717.db2.gz BRGPBUIBXSFDDA-CYBMUJFWSA-N 1 2 330.388 1.961 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153323722 442275720 /nfs/dbraw/zinc/27/57/20/442275720.db2.gz BRGPBUIBXSFDDA-CYBMUJFWSA-N 1 2 330.388 1.961 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC(OCCCO)CC2)c(C#N)c1C ZINC000155012498 442370982 /nfs/dbraw/zinc/37/09/82/442370982.db2.gz BZARMIZMRGMPES-UHFFFAOYSA-N 1 2 335.404 1.570 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2C(=O)NC(C)C)CC1 ZINC000154757945 442355253 /nfs/dbraw/zinc/35/52/53/442355253.db2.gz ZKIQEFVWEGDZFN-UHFFFAOYSA-N 1 2 342.443 1.014 20 30 EDEDLO C#CCOc1ccccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154797234 442357639 /nfs/dbraw/zinc/35/76/39/442357639.db2.gz TZAWAQZSMWGELZ-UHFFFAOYSA-N 1 2 327.428 1.746 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2[nH]c1=S ZINC000178755182 442475368 /nfs/dbraw/zinc/47/53/68/442475368.db2.gz XYXXRMLWBPXMLE-LBPRGKRZSA-N 1 2 344.440 1.353 20 30 EDEDLO N#CC1(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCC1 ZINC000134701387 442513770 /nfs/dbraw/zinc/51/37/70/442513770.db2.gz IPVNWISKURPCMH-UHFFFAOYSA-N 1 2 343.427 1.708 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(C)C)c(C#N)c1C ZINC000157381438 442577470 /nfs/dbraw/zinc/57/74/70/442577470.db2.gz UNFZWTJOXRHCBR-LBPRGKRZSA-N 1 2 334.420 1.799 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCNC(=O)C(C)C)c(C#N)c1C ZINC000157381438 442577475 /nfs/dbraw/zinc/57/74/75/442577475.db2.gz UNFZWTJOXRHCBR-LBPRGKRZSA-N 1 2 334.420 1.799 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000157268429 442566835 /nfs/dbraw/zinc/56/68/35/442566835.db2.gz CQRARWQWLFPVTC-MRXNPFEDSA-N 1 2 349.456 1.567 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000157268429 442566839 /nfs/dbraw/zinc/56/68/39/442566839.db2.gz CQRARWQWLFPVTC-MRXNPFEDSA-N 1 2 349.456 1.567 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cccn2Cc2ccccc2C#N)C[C@@H](C(N)=O)O1 ZINC000187464192 442677730 /nfs/dbraw/zinc/67/77/30/442677730.db2.gz UERPPMUVYSRLBP-KDOFPFPSSA-N 1 2 338.411 1.483 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cccn2Cc2ccccc2C#N)C[C@@H](C(N)=O)O1 ZINC000187464192 442677731 /nfs/dbraw/zinc/67/77/31/442677731.db2.gz UERPPMUVYSRLBP-KDOFPFPSSA-N 1 2 338.411 1.483 20 30 EDEDLO CCC[N@H+](CC(=O)N(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192550691 442661703 /nfs/dbraw/zinc/66/17/03/442661703.db2.gz LNQWMXZDSOGMGW-KRWDZBQOSA-N 1 2 342.443 1.854 20 30 EDEDLO CCC[N@@H+](CC(=O)N(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192550691 442661704 /nfs/dbraw/zinc/66/17/04/442661704.db2.gz LNQWMXZDSOGMGW-KRWDZBQOSA-N 1 2 342.443 1.854 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000193448735 442743489 /nfs/dbraw/zinc/74/34/89/442743489.db2.gz HFCGOXUGSVNKAJ-AWEZNQCLSA-N 1 2 347.419 1.324 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000267923940 442788289 /nfs/dbraw/zinc/78/82/89/442788289.db2.gz JQZBCVZXVMIUPG-UHFFFAOYSA-N 1 2 345.403 1.457 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000182787823 442825346 /nfs/dbraw/zinc/82/53/46/442825346.db2.gz LUSUVWKKABFWOV-ZIAGYGMSSA-N 1 2 339.461 1.358 20 30 EDEDLO COc1coc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1=O ZINC000268514316 443016771 /nfs/dbraw/zinc/01/67/71/443016771.db2.gz CYQUSLXPMUIFPP-UHFFFAOYSA-N 1 2 326.356 1.237 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000268521923 443019758 /nfs/dbraw/zinc/01/97/58/443019758.db2.gz VGLQGSOHBINACA-VXGBXAGGSA-N 1 2 330.363 1.973 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000263892817 443241579 /nfs/dbraw/zinc/24/15/79/443241579.db2.gz URRNBJZXFQKTPD-GXTWGEPZSA-N 1 2 340.383 1.622 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CCCO1 ZINC000263892817 443241583 /nfs/dbraw/zinc/24/15/83/443241583.db2.gz URRNBJZXFQKTPD-GXTWGEPZSA-N 1 2 340.383 1.622 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185490613 443208265 /nfs/dbraw/zinc/20/82/65/443208265.db2.gz ZRBGRAXLHXLCFA-HUUCEWRRSA-N 1 2 340.431 1.926 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)NCCNc2cccc[nH+]2)c(F)c1 ZINC000350456869 319049921 /nfs/dbraw/zinc/04/99/21/319049921.db2.gz MHLBMEGIVJUQHM-UHFFFAOYSA-N 1 2 338.339 1.622 20 30 EDEDLO CCN(C[C@@H](C)C#N)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000245775950 443249363 /nfs/dbraw/zinc/24/93/63/443249363.db2.gz LKVFMTALRXOAIZ-JKSUJKDBSA-N 1 2 329.448 1.600 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000266953176 443301845 /nfs/dbraw/zinc/30/18/45/443301845.db2.gz UYKBKBDBPGHSDU-AWEZNQCLSA-N 1 2 333.413 1.477 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000266953176 443301848 /nfs/dbraw/zinc/30/18/48/443301848.db2.gz UYKBKBDBPGHSDU-AWEZNQCLSA-N 1 2 333.413 1.477 20 30 EDEDLO C=CC[N@@H+](CCNS(=O)(=O)CCCOC)Cc1ccccc1F ZINC000267024817 443316383 /nfs/dbraw/zinc/31/63/83/443316383.db2.gz LBGSUOKEYOUQEB-UHFFFAOYSA-N 1 2 344.452 1.770 20 30 EDEDLO C=CC[N@H+](CCNS(=O)(=O)CCCOC)Cc1ccccc1F ZINC000267024817 443316388 /nfs/dbraw/zinc/31/63/88/443316388.db2.gz LBGSUOKEYOUQEB-UHFFFAOYSA-N 1 2 344.452 1.770 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000264685470 443373889 /nfs/dbraw/zinc/37/38/89/443373889.db2.gz CAPUGEXOQPQSSO-IUODEOHRSA-N 1 2 333.819 1.515 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000264685470 443373894 /nfs/dbraw/zinc/37/38/94/443373894.db2.gz CAPUGEXOQPQSSO-IUODEOHRSA-N 1 2 333.819 1.515 20 30 EDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000278519218 443350694 /nfs/dbraw/zinc/35/06/94/443350694.db2.gz CIIKQYVWZCXULX-IAGOWNOFSA-N 1 2 333.457 1.826 20 30 EDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](CO)c1ccccc1 ZINC000267145545 443356886 /nfs/dbraw/zinc/35/68/86/443356886.db2.gz AVTKCQSXWHOPFN-GOSISDBHSA-N 1 2 344.436 1.997 20 30 EDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](CO)c1ccccc1 ZINC000267145545 443356890 /nfs/dbraw/zinc/35/68/90/443356890.db2.gz AVTKCQSXWHOPFN-GOSISDBHSA-N 1 2 344.436 1.997 20 30 EDEDLO COC(=O)CCCc1nc(CO[NH+]=C(N)c2ccc(OC)cc2)no1 ZINC000264757081 443409074 /nfs/dbraw/zinc/40/90/74/443409074.db2.gz XYWZMQDLAGRXMH-UHFFFAOYSA-N 1 2 348.359 1.411 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000272906574 443485242 /nfs/dbraw/zinc/48/52/42/443485242.db2.gz CUJLYTOIJSNOEQ-UHFFFAOYSA-N 1 2 340.449 1.174 20 30 EDEDLO CCOCCCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000269852461 443454662 /nfs/dbraw/zinc/45/46/62/443454662.db2.gz GGDGUAYPVASJIW-LBPRGKRZSA-N 1 2 335.404 1.190 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000273109601 443540606 /nfs/dbraw/zinc/54/06/06/443540606.db2.gz NMZXMVXGGMPHOU-CJNGLKHVSA-N 1 2 325.359 1.642 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC3(CNC(=O)C3)CC2)C1=O ZINC000267731649 443557864 /nfs/dbraw/zinc/55/78/64/443557864.db2.gz BNCDPANGANBGTC-ZDUSSCGKSA-N 1 2 344.440 1.327 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273668478 443584158 /nfs/dbraw/zinc/58/41/58/443584158.db2.gz IZQMCNUJQSMGPI-CQSZACIVSA-N 1 2 333.411 1.327 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](c1nc(C(C)C)no1)C1CCOCC1 ZINC000275256443 443624198 /nfs/dbraw/zinc/62/41/98/443624198.db2.gz HMDTUWANXSLWKT-GXTWGEPZSA-N 1 2 334.420 1.388 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000283511473 443650541 /nfs/dbraw/zinc/65/05/41/443650541.db2.gz KMUXICDNPTXEBS-UHFFFAOYSA-N 1 2 344.234 1.257 20 30 EDEDLO C#CCN(Cc1ccccc1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000287512693 443745932 /nfs/dbraw/zinc/74/59/32/443745932.db2.gz UTDBHNXIBGDVDW-IAGOWNOFSA-N 1 2 329.444 1.941 20 30 EDEDLO C=CCOc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000286511085 443713564 /nfs/dbraw/zinc/71/35/64/443713564.db2.gz MQIAFYPSSSESFQ-HNNXBMFYSA-N 1 2 333.432 1.771 20 30 EDEDLO CC[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000290958277 443721276 /nfs/dbraw/zinc/72/12/76/443721276.db2.gz NIUKXJDNHGAPGL-KRWDZBQOSA-N 1 2 330.432 1.810 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000286721201 443722418 /nfs/dbraw/zinc/72/24/18/443722418.db2.gz DPOMXFJBKXSLJT-CABCVRRESA-N 1 2 336.436 1.607 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)C1=O ZINC000292253179 443786942 /nfs/dbraw/zinc/78/69/42/443786942.db2.gz XXXSTWIRBLGPFU-UTUOFQBUSA-N 1 2 333.354 1.305 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)C1=O ZINC000292253179 443786945 /nfs/dbraw/zinc/78/69/45/443786945.db2.gz XXXSTWIRBLGPFU-UTUOFQBUSA-N 1 2 333.354 1.305 20 30 EDEDLO N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000284011419 443761107 /nfs/dbraw/zinc/76/11/07/443761107.db2.gz NRKGVJIZKQLJIH-MRXNPFEDSA-N 1 2 337.383 1.062 20 30 EDEDLO NC(=[NH+]OCC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000284051565 443763012 /nfs/dbraw/zinc/76/30/12/443763012.db2.gz JHLHJCVWDWAKOC-QGZVFWFLSA-N 1 2 345.443 1.936 20 30 EDEDLO CON(C)C(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000291648706 443763548 /nfs/dbraw/zinc/76/35/48/443763548.db2.gz FEZKLOZFYZAMTL-CYBMUJFWSA-N 1 2 344.415 1.617 20 30 EDEDLO C=CCCCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000284102572 443765960 /nfs/dbraw/zinc/76/59/60/443765960.db2.gz SGCFPHRJICILCL-UHFFFAOYSA-N 1 2 346.431 1.007 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2n[nH]c(=O)o2)CC1 ZINC000284267799 443771280 /nfs/dbraw/zinc/77/12/80/443771280.db2.gz MOYJRGVORNHMDR-NSHDSACASA-N 1 2 341.371 1.441 20 30 EDEDLO Fc1ccc(C#CC[NH+]2CCN(c3cncc4ncnn43)CC2)cc1 ZINC000276643989 443775763 /nfs/dbraw/zinc/77/57/63/443775763.db2.gz XWDDHPFPPFRJRC-UHFFFAOYSA-N 1 2 336.374 1.437 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000284567269 443780549 /nfs/dbraw/zinc/78/05/49/443780549.db2.gz UPISULTZXZFUDL-UHFFFAOYSA-N 1 2 330.432 1.745 20 30 EDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000298572890 443803613 /nfs/dbraw/zinc/80/36/13/443803613.db2.gz QMXFIZMTQWPJOL-INIZCTEOSA-N 1 2 342.439 1.922 20 30 EDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000298572890 443803616 /nfs/dbraw/zinc/80/36/16/443803616.db2.gz QMXFIZMTQWPJOL-INIZCTEOSA-N 1 2 342.439 1.922 20 30 EDEDLO Cn1cc([C@H](CO)[NH2+]Cc2cc(C#N)ccc2Br)cn1 ZINC000276850206 443851647 /nfs/dbraw/zinc/85/16/47/443851647.db2.gz DQAFECKOCVAZJS-AWEZNQCLSA-N 1 2 335.205 1.877 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000281507365 443929580 /nfs/dbraw/zinc/92/95/80/443929580.db2.gz YLAVWFOJOKVJBF-DLBZAZTESA-N 1 2 338.411 1.382 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000281507365 443929581 /nfs/dbraw/zinc/92/95/81/443929581.db2.gz YLAVWFOJOKVJBF-DLBZAZTESA-N 1 2 338.411 1.382 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1=O ZINC000281518940 443933950 /nfs/dbraw/zinc/93/39/50/443933950.db2.gz ZFHGBFZYULSGRY-SWLSCSKDSA-N 1 2 344.415 1.814 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1=O ZINC000281518940 443933952 /nfs/dbraw/zinc/93/39/52/443933952.db2.gz ZFHGBFZYULSGRY-SWLSCSKDSA-N 1 2 344.415 1.814 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3ccc(OC)c(F)c3)CC2)C1=O ZINC000281891053 444033110 /nfs/dbraw/zinc/03/31/10/444033110.db2.gz DULUHIZVTJNGDW-QGZVFWFLSA-N 1 2 347.434 1.739 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCO[C@@]4(CCSC4)C3)C2=O)cc1 ZINC000563069206 321092736 /nfs/dbraw/zinc/09/27/36/321092736.db2.gz UUZCSMBOSGGMSA-AEFFLSMTSA-N 1 2 343.452 1.871 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCO[C@@]4(CCSC4)C3)C2=O)cc1 ZINC000563069206 321092738 /nfs/dbraw/zinc/09/27/38/321092738.db2.gz UUZCSMBOSGGMSA-AEFFLSMTSA-N 1 2 343.452 1.871 20 30 EDEDLO C=CCC[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000285862161 444132814 /nfs/dbraw/zinc/13/28/14/444132814.db2.gz HUIUDACAYZTYAA-IRXDYDNUSA-N 1 2 345.443 1.257 20 30 EDEDLO C=CCC[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000285862161 444132816 /nfs/dbraw/zinc/13/28/16/444132816.db2.gz HUIUDACAYZTYAA-IRXDYDNUSA-N 1 2 345.443 1.257 20 30 EDEDLO N#Cc1cncnc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000572567127 321432011 /nfs/dbraw/zinc/43/20/11/321432011.db2.gz PKAIJRGWXBHMTG-UHFFFAOYSA-N 1 2 339.399 1.093 20 30 EDEDLO C#CCCOc1ccc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000294794930 444143922 /nfs/dbraw/zinc/14/39/22/444143922.db2.gz BOGOSJPNLDBYLD-QFBILLFUSA-N 1 2 342.439 1.881 20 30 EDEDLO Cc1oc(NC(=O)CN2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(C#N)c1C ZINC000285977446 444167720 /nfs/dbraw/zinc/16/77/20/444167720.db2.gz NWRPDSUNZVFUMP-DOMZBBRYSA-N 1 2 346.431 1.502 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c(C#N)c1C ZINC000285977446 444167722 /nfs/dbraw/zinc/16/77/22/444167722.db2.gz NWRPDSUNZVFUMP-DOMZBBRYSA-N 1 2 346.431 1.502 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c(C#N)c1C ZINC000285977446 444167725 /nfs/dbraw/zinc/16/77/25/444167725.db2.gz NWRPDSUNZVFUMP-DOMZBBRYSA-N 1 2 346.431 1.502 20 30 EDEDLO CCc1ccc(C#CC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000294596747 444125476 /nfs/dbraw/zinc/12/54/76/444125476.db2.gz PHOMNHQXJBWIPE-GOSISDBHSA-N 1 2 336.439 1.849 20 30 EDEDLO C[C@]1(C2CC2)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000625531514 450412566 /nfs/dbraw/zinc/41/25/66/450412566.db2.gz XIEQWSBIDIYZKU-HXUWFJFHSA-N 1 2 338.407 1.787 20 30 EDEDLO C[C@]1(C2CC2)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000625531514 450412567 /nfs/dbraw/zinc/41/25/67/450412567.db2.gz XIEQWSBIDIYZKU-HXUWFJFHSA-N 1 2 338.407 1.787 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C(C)(C)C(N)=O)cc1C ZINC000295783492 444192781 /nfs/dbraw/zinc/19/27/81/444192781.db2.gz ULYBZTQEHKYMFE-UHFFFAOYSA-N 1 2 330.432 1.746 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C(C)(C)C(N)=O)cc1C ZINC000295783492 444192782 /nfs/dbraw/zinc/19/27/82/444192782.db2.gz ULYBZTQEHKYMFE-UHFFFAOYSA-N 1 2 330.432 1.746 20 30 EDEDLO C#CCOc1ccc(CNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)cc1 ZINC000296798164 444255139 /nfs/dbraw/zinc/25/51/39/444255139.db2.gz BJXMFPPBFZAFDX-QGZVFWFLSA-N 1 2 326.400 1.351 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296948952 444264264 /nfs/dbraw/zinc/26/42/64/444264264.db2.gz XUFRMQGANPBPET-LJQANCHMSA-N 1 2 342.443 1.804 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296948952 444264268 /nfs/dbraw/zinc/26/42/68/444264268.db2.gz XUFRMQGANPBPET-LJQANCHMSA-N 1 2 342.443 1.804 20 30 EDEDLO Cc1cnn([C@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)c1 ZINC000290063502 444237253 /nfs/dbraw/zinc/23/72/53/444237253.db2.gz XXKKRBSRZJAFOF-INIZCTEOSA-N 1 2 344.440 1.784 20 30 EDEDLO Cc1cnn([C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)c1 ZINC000290063502 444237256 /nfs/dbraw/zinc/23/72/56/444237256.db2.gz XXKKRBSRZJAFOF-INIZCTEOSA-N 1 2 344.440 1.784 20 30 EDEDLO C[N@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000305813440 444281767 /nfs/dbraw/zinc/28/17/67/444281767.db2.gz IYJOOJNCFYDZLR-ZIAGYGMSSA-N 1 2 341.333 1.909 20 30 EDEDLO C[N@@H+](C[C@@H](O)C(F)(F)F)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000305813440 444281768 /nfs/dbraw/zinc/28/17/68/444281768.db2.gz IYJOOJNCFYDZLR-ZIAGYGMSSA-N 1 2 341.333 1.909 20 30 EDEDLO CC1(C)CC[N@H+](C[C@@H](O)COc2ccccc2C#N)CC[S@@]1=O ZINC000322026299 444338596 /nfs/dbraw/zinc/33/85/96/444338596.db2.gz KEEVPFUKLTZFSD-CMJOXMDJSA-N 1 2 336.457 1.531 20 30 EDEDLO CC1(C)CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC[S@@]1=O ZINC000322026299 444338597 /nfs/dbraw/zinc/33/85/97/444338597.db2.gz KEEVPFUKLTZFSD-CMJOXMDJSA-N 1 2 336.457 1.531 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000297820641 444338653 /nfs/dbraw/zinc/33/86/53/444338653.db2.gz MFOMUUWIHCTQEZ-UHFFFAOYSA-N 1 2 345.447 1.201 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328824329 444365880 /nfs/dbraw/zinc/36/58/80/444365880.db2.gz ISAVKNZNRFWOQQ-VHDGCEQUSA-N 1 2 344.477 1.267 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328824329 444365881 /nfs/dbraw/zinc/36/58/81/444365881.db2.gz ISAVKNZNRFWOQQ-VHDGCEQUSA-N 1 2 344.477 1.267 20 30 EDEDLO CCN1CCN(C(=O)N[C@H](COC)C2CC2)C[C@@H]1c1[nH+]ccn1C ZINC000328630624 444403571 /nfs/dbraw/zinc/40/35/71/444403571.db2.gz QATCZKVVNJKCAI-HUUCEWRRSA-N 1 2 335.452 1.438 20 30 EDEDLO Cc1cccc2nc(CNC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)[nH]c21 ZINC000328948878 444418307 /nfs/dbraw/zinc/41/83/07/444418307.db2.gz HCSGQQQCJSAHED-CYBMUJFWSA-N 1 2 330.436 1.121 20 30 EDEDLO Cc1cccc2nc(CNC(=O)NC[C@@H]3C[N@H+](C)CCN3C)[nH]c21 ZINC000328948878 444418311 /nfs/dbraw/zinc/41/83/11/444418311.db2.gz HCSGQQQCJSAHED-CYBMUJFWSA-N 1 2 330.436 1.121 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298113424 444419727 /nfs/dbraw/zinc/41/97/27/444419727.db2.gz OLQBFPWUWFCECK-UHFFFAOYSA-N 1 2 347.419 1.536 20 30 EDEDLO O=C(CCNC(=O)[C@H]1CCC(=O)N1)N1CCN(c2cccc[nH+]2)CC1 ZINC000328898796 444392417 /nfs/dbraw/zinc/39/24/17/444392417.db2.gz YGNNMDFZZSIMAR-CYBMUJFWSA-N 1 2 345.403 1.196 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000579007740 321869860 /nfs/dbraw/zinc/86/98/60/321869860.db2.gz BVNRFDADHKHEKN-UHFFFAOYSA-N 1 2 337.383 1.423 20 30 EDEDLO COCCC(=O)N1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331304231 444464274 /nfs/dbraw/zinc/46/42/74/444464274.db2.gz FRUNGRXCQJOKSL-UHFFFAOYSA-N 1 2 334.420 1.733 20 30 EDEDLO C[NH+]1CCN(CCC(C)(C)NC(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC000329075080 444465823 /nfs/dbraw/zinc/46/58/23/444465823.db2.gz AFGUUDCBHJGGSK-CYBMUJFWSA-N 1 2 334.468 1.282 20 30 EDEDLO CCN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000329088543 444468969 /nfs/dbraw/zinc/46/89/69/444468969.db2.gz VPJDYYGXODABOA-QZTJIDSGSA-N 1 2 347.459 1.565 20 30 EDEDLO CCN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000329088543 444468971 /nfs/dbraw/zinc/46/89/71/444468971.db2.gz VPJDYYGXODABOA-QZTJIDSGSA-N 1 2 347.459 1.565 20 30 EDEDLO O=C(NCc1nnc2n1CCCCC2)N1CCC(n2cc[nH+]c2)CC1 ZINC000329168245 444490498 /nfs/dbraw/zinc/49/04/98/444490498.db2.gz IRMSRRNFBXSTBT-UHFFFAOYSA-N 1 2 343.435 1.952 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000329202171 444499529 /nfs/dbraw/zinc/49/95/29/444499529.db2.gz XXTPARIJBYOXQW-CHWSQXEVSA-N 1 2 343.493 1.611 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000329202171 444499531 /nfs/dbraw/zinc/49/95/31/444499531.db2.gz XXTPARIJBYOXQW-CHWSQXEVSA-N 1 2 343.493 1.611 20 30 EDEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000581943857 322236357 /nfs/dbraw/zinc/23/63/57/322236357.db2.gz CNTKUDZSKXQDSC-CQSZACIVSA-N 1 2 333.417 1.000 20 30 EDEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000581943857 322236359 /nfs/dbraw/zinc/23/63/59/322236359.db2.gz CNTKUDZSKXQDSC-CQSZACIVSA-N 1 2 333.417 1.000 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)NC3CCCCC3)CC2)C1=O ZINC000332383795 444512975 /nfs/dbraw/zinc/51/29/75/444512975.db2.gz ICOLQDGMZOSUDB-MRXNPFEDSA-N 1 2 334.464 1.433 20 30 EDEDLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329251987 444513536 /nfs/dbraw/zinc/51/35/36/444513536.db2.gz YHUGYGYLDVWWHZ-KBPBESRZSA-N 1 2 344.419 1.767 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329262783 444515647 /nfs/dbraw/zinc/51/56/47/444515647.db2.gz GHTHLEQGNLFSJJ-OUCADQQQSA-N 1 2 326.441 1.354 20 30 EDEDLO C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329262783 444515648 /nfs/dbraw/zinc/51/56/48/444515648.db2.gz GHTHLEQGNLFSJJ-OUCADQQQSA-N 1 2 326.441 1.354 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCO)Cc1ccccc1OC ZINC000343698099 444527866 /nfs/dbraw/zinc/52/78/66/444527866.db2.gz AELGAZQTFYTKHD-HNNXBMFYSA-N 1 2 333.432 1.498 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCO)Cc1ccccc1OC ZINC000343698099 444527871 /nfs/dbraw/zinc/52/78/71/444527871.db2.gz AELGAZQTFYTKHD-HNNXBMFYSA-N 1 2 333.432 1.498 20 30 EDEDLO Cc1csc(C(C)(C)NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000329317432 444532628 /nfs/dbraw/zinc/53/26/28/444532628.db2.gz FIXOAFPZRYEDET-LBPRGKRZSA-N 1 2 325.482 1.436 20 30 EDEDLO Cc1csc(C(C)(C)NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000329317432 444532631 /nfs/dbraw/zinc/53/26/31/444532631.db2.gz FIXOAFPZRYEDET-LBPRGKRZSA-N 1 2 325.482 1.436 20 30 EDEDLO CC(=O)N[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C1CCCC1 ZINC000329373352 444554934 /nfs/dbraw/zinc/55/49/34/444554934.db2.gz KPEOKZRRYDTNMT-XYPHTWIQSA-N 1 2 337.464 1.843 20 30 EDEDLO C[C@@H]1OCCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)[C@H]1C ZINC000329433180 444577483 /nfs/dbraw/zinc/57/74/83/444577483.db2.gz IJEAKAAMIYFIHI-YDHLFZDLSA-N 1 2 336.436 1.911 20 30 EDEDLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329491596 444601700 /nfs/dbraw/zinc/60/17/00/444601700.db2.gz VOXDAUZYYWDBLZ-GXSJLCMTSA-N 1 2 330.310 1.565 20 30 EDEDLO Cc1cnn(C[C@@H]2CN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)CCO2)c1 ZINC000329500684 444605286 /nfs/dbraw/zinc/60/52/86/444605286.db2.gz ABVBMGTUZOETGZ-KBPBESRZSA-N 1 2 344.419 1.087 20 30 EDEDLO Cc1cnn(C[C@@H]2CN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)CCO2)c1 ZINC000329500684 444605289 /nfs/dbraw/zinc/60/52/89/444605289.db2.gz ABVBMGTUZOETGZ-KBPBESRZSA-N 1 2 344.419 1.087 20 30 EDEDLO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NCc1c[nH+]cn1C ZINC000329544352 444622824 /nfs/dbraw/zinc/62/28/24/444622824.db2.gz FYBMQNFRAQCRIH-AWEZNQCLSA-N 1 2 332.408 1.258 20 30 EDEDLO C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@@H](C)S1(=O)=O ZINC000329625142 444653238 /nfs/dbraw/zinc/65/32/38/444653238.db2.gz SQDWGJUPEXTMOA-UPJWGTAASA-N 1 2 340.449 1.182 20 30 EDEDLO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329629620 444655480 /nfs/dbraw/zinc/65/54/80/444655480.db2.gz QLPHCSJAJQRIMO-COPLHBTASA-N 1 2 346.391 1.334 20 30 EDEDLO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329629620 444655485 /nfs/dbraw/zinc/65/54/85/444655485.db2.gz QLPHCSJAJQRIMO-COPLHBTASA-N 1 2 346.391 1.334 20 30 EDEDLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329678684 444676098 /nfs/dbraw/zinc/67/60/98/444676098.db2.gz QNEAXVVHFWRWJO-LSDHHAIUSA-N 1 2 333.432 1.729 20 30 EDEDLO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329678684 444676100 /nfs/dbraw/zinc/67/61/00/444676100.db2.gz QNEAXVVHFWRWJO-LSDHHAIUSA-N 1 2 333.432 1.729 20 30 EDEDLO Cn1c2cc(O)c(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2n(C)c1=O ZINC000329676846 444676286 /nfs/dbraw/zinc/67/62/86/444676286.db2.gz UZFAEISKRDVPGI-SNVBAGLBSA-N 1 2 341.371 1.630 20 30 EDEDLO COc1cc[nH+]cc1CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000342348699 444646688 /nfs/dbraw/zinc/64/66/88/444646688.db2.gz SNVSJHHEJGFRQN-UHFFFAOYSA-N 1 2 336.351 1.167 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C#N)o2)nc[nH+]1 ZINC000341157325 444701226 /nfs/dbraw/zinc/70/12/26/444701226.db2.gz NLQFATMZCIICDI-LLVKDONJSA-N 1 2 326.360 1.382 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C#N)o2)[nH+]cn1 ZINC000341157325 444701231 /nfs/dbraw/zinc/70/12/31/444701231.db2.gz NLQFATMZCIICDI-LLVKDONJSA-N 1 2 326.360 1.382 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000333873471 444704896 /nfs/dbraw/zinc/70/48/96/444704896.db2.gz CCFIMYJXTGULSI-UHFFFAOYSA-N 1 2 344.463 1.558 20 30 EDEDLO CN(C)c1nccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000341176262 444711103 /nfs/dbraw/zinc/71/11/03/444711103.db2.gz GDHPIIPYSCHFRY-UHFFFAOYSA-N 1 2 340.406 1.876 20 30 EDEDLO C[C@@H]1Oc2ccc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cc2NC1=O ZINC000329781985 444714703 /nfs/dbraw/zinc/71/47/03/444714703.db2.gz NOPGTXXNNJXNML-VZJVUDMVSA-N 1 2 346.387 1.616 20 30 EDEDLO C[C@@H]1Oc2ccc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)cc2NC1=O ZINC000329781985 444714706 /nfs/dbraw/zinc/71/47/06/444714706.db2.gz NOPGTXXNNJXNML-VZJVUDMVSA-N 1 2 346.387 1.616 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000342499901 444718303 /nfs/dbraw/zinc/71/83/03/444718303.db2.gz AMCRCRFSGRENSA-GFCCVEGCSA-N 1 2 337.387 1.575 20 30 EDEDLO Cn1cc2c(n1)CCC[C@@H]2C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000329799998 444721746 /nfs/dbraw/zinc/72/17/46/444721746.db2.gz IBXAVCUUSXNBQD-ZDUSSCGKSA-N 1 2 349.435 1.085 20 30 EDEDLO O=C(N[C@@H]1CCCS(=O)(=O)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000329816968 444727900 /nfs/dbraw/zinc/72/79/00/444727900.db2.gz FQHADDKASGBKAA-CYBMUJFWSA-N 1 2 329.466 1.038 20 30 EDEDLO Cn1cc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c([C@H]2CCOC2)n1 ZINC000329872681 444748233 /nfs/dbraw/zinc/74/82/33/444748233.db2.gz DGYITOWTYRHJHY-ZDUSSCGKSA-N 1 2 336.436 1.339 20 30 EDEDLO Cn1cc(C(=O)NCC[N@H+]2CCOCC2(C)C)c([C@H]2CCOC2)n1 ZINC000329872681 444748235 /nfs/dbraw/zinc/74/82/35/444748235.db2.gz DGYITOWTYRHJHY-ZDUSSCGKSA-N 1 2 336.436 1.339 20 30 EDEDLO CNC(=O)C1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000329882303 444751758 /nfs/dbraw/zinc/75/17/58/444751758.db2.gz PSWWDDCOHXWHHM-UHFFFAOYSA-N 1 2 345.443 1.957 20 30 EDEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCO[C@]2(CCOC2)C1 ZINC000329911171 444764710 /nfs/dbraw/zinc/76/47/10/444764710.db2.gz WHXPOGSTRAQNSI-QGZVFWFLSA-N 1 2 334.420 1.167 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)c1ncnn1C)C2 ZINC000329914904 444767158 /nfs/dbraw/zinc/76/71/58/444767158.db2.gz CTUNXJPMKFSFFV-LLVKDONJSA-N 1 2 331.424 1.705 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3nc(C(F)(F)F)cs3)C[C@@H]21 ZINC000329920527 444769385 /nfs/dbraw/zinc/76/93/85/444769385.db2.gz FAANINFIDFSNPN-YUMQZZPRSA-N 1 2 336.339 1.722 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3nc(C(F)(F)F)cs3)C[C@@H]21 ZINC000329920527 444769389 /nfs/dbraw/zinc/76/93/89/444769389.db2.gz FAANINFIDFSNPN-YUMQZZPRSA-N 1 2 336.339 1.722 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(-n4cccn4)c3)C[C@@H]21 ZINC000329925447 444770889 /nfs/dbraw/zinc/77/08/89/444770889.db2.gz JUNLEKJNPJWUAB-JKSUJKDBSA-N 1 2 327.388 1.433 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(-n4cccn4)c3)C[C@@H]21 ZINC000329925447 444770894 /nfs/dbraw/zinc/77/08/94/444770894.db2.gz JUNLEKJNPJWUAB-JKSUJKDBSA-N 1 2 327.388 1.433 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC4CCCC4)nc3)C[C@H]21 ZINC000329927844 444773095 /nfs/dbraw/zinc/77/30/95/444773095.db2.gz LYDBLUCVEGDHNK-CVEARBPZSA-N 1 2 346.431 1.963 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC4CCCC4)nc3)C[C@H]21 ZINC000329927844 444773097 /nfs/dbraw/zinc/77/30/97/444773097.db2.gz LYDBLUCVEGDHNK-CVEARBPZSA-N 1 2 346.431 1.963 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(CCC(C)C)n2CC)CC1 ZINC000338617382 444776884 /nfs/dbraw/zinc/77/68/84/444776884.db2.gz JJIKDNNQNAVPRI-UHFFFAOYSA-N 1 2 348.495 1.311 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)C[C@H]21 ZINC000329938178 444778188 /nfs/dbraw/zinc/77/81/88/444778188.db2.gz SKBYVKJYOBBMMC-MNOVXSKESA-N 1 2 346.309 1.366 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)C[C@H]21 ZINC000329938178 444778192 /nfs/dbraw/zinc/77/81/92/444778192.db2.gz SKBYVKJYOBBMMC-MNOVXSKESA-N 1 2 346.309 1.366 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCc2nc(C3CCCC3)no2)C1 ZINC000329941883 444779600 /nfs/dbraw/zinc/77/96/00/444779600.db2.gz CLCVSKQNASNMEB-AWEZNQCLSA-N 1 2 335.452 1.862 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCc2nc(C3CCCC3)no2)C1 ZINC000329941883 444779604 /nfs/dbraw/zinc/77/96/04/444779604.db2.gz CLCVSKQNASNMEB-AWEZNQCLSA-N 1 2 335.452 1.862 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCCCC1 ZINC000330001669 444807075 /nfs/dbraw/zinc/80/70/75/444807075.db2.gz YDVIYJBLVGRKSY-OAHLLOKOSA-N 1 2 325.478 1.960 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCCCC1 ZINC000330001669 444807078 /nfs/dbraw/zinc/80/70/78/444807078.db2.gz YDVIYJBLVGRKSY-OAHLLOKOSA-N 1 2 325.478 1.960 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4ccccc4n3)C[C@H]21 ZINC000329961925 444788029 /nfs/dbraw/zinc/78/80/29/444788029.db2.gz OYDUOZHGJZWPBB-IAGOWNOFSA-N 1 2 326.400 1.664 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4ccccc4n3)C[C@H]21 ZINC000329961925 444788035 /nfs/dbraw/zinc/78/80/35/444788035.db2.gz OYDUOZHGJZWPBB-IAGOWNOFSA-N 1 2 326.400 1.664 20 30 EDEDLO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C[C@@]2(CCCOC2)O1 ZINC000330072134 444834352 /nfs/dbraw/zinc/83/43/52/444834352.db2.gz JKXOHPKNKONDRY-RDTXWAMCSA-N 1 2 348.447 1.832 20 30 EDEDLO C=C(C)Cn1c(CCCC)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000338788837 444851841 /nfs/dbraw/zinc/85/18/41/444851841.db2.gz OASQBLNSNALZOH-UHFFFAOYSA-N 1 2 348.495 1.455 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330245316 444904088 /nfs/dbraw/zinc/90/40/88/444904088.db2.gz KQKOAPQFAIZWNF-BPLDGKMQSA-N 1 2 344.477 1.267 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330245316 444904093 /nfs/dbraw/zinc/90/40/93/444904093.db2.gz KQKOAPQFAIZWNF-BPLDGKMQSA-N 1 2 344.477 1.267 20 30 EDEDLO CC[C@@H]1OCCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000330304699 444929596 /nfs/dbraw/zinc/92/95/96/444929596.db2.gz KNLQAMJOZDPRCF-HOTGVXAUSA-N 1 2 347.463 1.760 20 30 EDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)N3CCCCCC3)CC2)C1 ZINC000338892722 444916403 /nfs/dbraw/zinc/91/64/03/444916403.db2.gz FONKEXKLMIJGEO-HZPDHXFCSA-N 1 2 340.493 1.417 20 30 EDEDLO C=CC[C@H](CO)NC(=O)[C@H]1CCC(=O)N(CCC)[C@@H]1c1c[nH+]cn1C ZINC000337047165 444916995 /nfs/dbraw/zinc/91/69/95/444916995.db2.gz GSLTVJKDUMBYQZ-KEYYUXOJSA-N 1 2 348.447 1.163 20 30 EDEDLO N#Cc1ncn(CCNC(=O)c2ccccc2Oc2cc[nH+]cc2)n1 ZINC000342890911 444921657 /nfs/dbraw/zinc/92/16/57/444921657.db2.gz KGIZDNWJAXQIQU-UHFFFAOYSA-N 1 2 334.339 1.767 20 30 EDEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000337061133 444923622 /nfs/dbraw/zinc/92/36/22/444923622.db2.gz GZVDESGRODLOGF-JTQLQIEISA-N 1 2 347.362 1.902 20 30 EDEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000337061133 444923623 /nfs/dbraw/zinc/92/36/23/444923623.db2.gz GZVDESGRODLOGF-JTQLQIEISA-N 1 2 347.362 1.902 20 30 EDEDLO C=CCOCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000338907214 444925358 /nfs/dbraw/zinc/92/53/58/444925358.db2.gz ZISIZZCSHSYCSA-UHFFFAOYSA-N 1 2 325.390 1.617 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC2(c3ccccc3)CCC2)C1=O ZINC000337200712 444982759 /nfs/dbraw/zinc/98/27/59/444982759.db2.gz CAAGPQGJLMLVAE-QGZVFWFLSA-N 1 2 341.455 1.901 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC2(c3ccccc3)CCC2)C1=O ZINC000337200712 444982765 /nfs/dbraw/zinc/98/27/65/444982765.db2.gz CAAGPQGJLMLVAE-QGZVFWFLSA-N 1 2 341.455 1.901 20 30 EDEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cc2n(n1)CCCO2 ZINC000330314232 444933169 /nfs/dbraw/zinc/93/31/69/444933169.db2.gz XTMCSPRMVRFYGO-UHFFFAOYSA-N 1 2 343.387 1.402 20 30 EDEDLO CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cn1 ZINC000330321947 444936202 /nfs/dbraw/zinc/93/62/02/444936202.db2.gz GKAOLYRTXNCULY-HYVNUMGLSA-N 1 2 349.479 1.573 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC[C@@H]21 ZINC000330536777 445022741 /nfs/dbraw/zinc/02/27/41/445022741.db2.gz FLPLZEFOJKBHKV-JTOWHCCKSA-N 1 2 349.479 1.510 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC[C@@H]21 ZINC000330536777 445022746 /nfs/dbraw/zinc/02/27/46/445022746.db2.gz FLPLZEFOJKBHKV-JTOWHCCKSA-N 1 2 349.479 1.510 20 30 EDEDLO N#CCNC(=O)CN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000343039574 445022720 /nfs/dbraw/zinc/02/27/20/445022720.db2.gz WTRLCKAHUPPGDQ-UHFFFAOYSA-N 1 2 340.349 1.463 20 30 EDEDLO CCCC[N@H+](CC(=O)N(CC)CCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000343046962 445027184 /nfs/dbraw/zinc/02/71/84/445027184.db2.gz UMYOHBPKSXPIPS-AWEZNQCLSA-N 1 2 329.466 1.038 20 30 EDEDLO CCCC[N@@H+](CC(=O)N(CC)CCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000343046962 445027186 /nfs/dbraw/zinc/02/71/86/445027186.db2.gz UMYOHBPKSXPIPS-AWEZNQCLSA-N 1 2 329.466 1.038 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000330520717 445016450 /nfs/dbraw/zinc/01/64/50/445016450.db2.gz HTHREALDINSGKL-LBPRGKRZSA-N 1 2 325.409 1.459 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000330520717 445016453 /nfs/dbraw/zinc/01/64/53/445016453.db2.gz HTHREALDINSGKL-LBPRGKRZSA-N 1 2 325.409 1.459 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000337368544 445050672 /nfs/dbraw/zinc/05/06/72/445050672.db2.gz QKYZITXEBGOXEE-OAHLLOKOSA-N 1 2 337.427 1.991 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000337368544 445050677 /nfs/dbraw/zinc/05/06/77/445050677.db2.gz QKYZITXEBGOXEE-OAHLLOKOSA-N 1 2 337.427 1.991 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337441763 445081715 /nfs/dbraw/zinc/08/17/15/445081715.db2.gz JTOVDEYZXHEFBI-HZPDHXFCSA-N 1 2 344.459 1.898 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337441763 445081720 /nfs/dbraw/zinc/08/17/20/445081720.db2.gz JTOVDEYZXHEFBI-HZPDHXFCSA-N 1 2 344.459 1.898 20 30 EDEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)C1 ZINC000345297478 445179890 /nfs/dbraw/zinc/17/98/90/445179890.db2.gz JBCCZEOGFLLCDE-QWHCGFSZSA-N 1 2 327.306 1.717 20 30 EDEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)C1 ZINC000345297478 445179896 /nfs/dbraw/zinc/17/98/96/445179896.db2.gz JBCCZEOGFLLCDE-QWHCGFSZSA-N 1 2 327.306 1.717 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000330823602 445155267 /nfs/dbraw/zinc/15/52/67/445155267.db2.gz FHZGQOMCJVTCSY-DGCLKSJQSA-N 1 2 325.434 1.359 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000330823602 445155269 /nfs/dbraw/zinc/15/52/69/445155269.db2.gz FHZGQOMCJVTCSY-DGCLKSJQSA-N 1 2 325.434 1.359 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000346274257 445210215 /nfs/dbraw/zinc/21/02/15/445210215.db2.gz QKKICBKFCLYYNS-HUUCEWRRSA-N 1 2 326.356 1.953 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000346274257 445210216 /nfs/dbraw/zinc/21/02/16/445210216.db2.gz QKKICBKFCLYYNS-HUUCEWRRSA-N 1 2 326.356 1.953 20 30 EDEDLO CC[C@H](C#N)NC(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000346358213 445212398 /nfs/dbraw/zinc/21/23/98/445212398.db2.gz HBQQPEQTUFBCBP-PVXIVEMSSA-N 1 2 329.404 1.281 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(Cc3ccc(Br)cc3C#N)C[C@H]21 ZINC000347032172 445230097 /nfs/dbraw/zinc/23/00/97/445230097.db2.gz LKMSTNQCEDFVFE-HUUCEWRRSA-N 1 2 336.233 1.836 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(Cc3ccc(Br)cc3C#N)C[C@H]21 ZINC000347032172 445230098 /nfs/dbraw/zinc/23/00/98/445230098.db2.gz LKMSTNQCEDFVFE-HUUCEWRRSA-N 1 2 336.233 1.836 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347305963 445235661 /nfs/dbraw/zinc/23/56/61/445235661.db2.gz ADOOBQCKZMHZFT-OKILXGFUSA-N 1 2 336.457 1.721 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347305963 445235663 /nfs/dbraw/zinc/23/56/63/445235663.db2.gz ADOOBQCKZMHZFT-OKILXGFUSA-N 1 2 336.457 1.721 20 30 EDEDLO CCn1cnc2c(c1=O)CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000348348447 445263192 /nfs/dbraw/zinc/26/31/92/445263192.db2.gz LGXJSJRFKQLTKG-UGSOOPFHSA-N 1 2 345.447 1.064 20 30 EDEDLO CCn1cnc2c(c1=O)CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000348348447 445263194 /nfs/dbraw/zinc/26/31/94/445263194.db2.gz LGXJSJRFKQLTKG-UGSOOPFHSA-N 1 2 345.447 1.064 20 30 EDEDLO C=CCCCNC(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000343649346 445281704 /nfs/dbraw/zinc/28/17/04/445281704.db2.gz YBEYZZWUOHYFRE-YOEHRIQHSA-N 1 2 330.432 1.945 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000348414757 445282649 /nfs/dbraw/zinc/28/26/49/445282649.db2.gz YHHIBEORKOHQDQ-CVEARBPZSA-N 1 2 333.480 1.901 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000348414757 445282652 /nfs/dbraw/zinc/28/26/52/445282652.db2.gz YHHIBEORKOHQDQ-CVEARBPZSA-N 1 2 333.480 1.901 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000354693219 445343061 /nfs/dbraw/zinc/34/30/61/445343061.db2.gz XWKZCNKCKXDUSA-MRXNPFEDSA-N 1 2 328.416 1.165 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000354693219 445343063 /nfs/dbraw/zinc/34/30/63/445343063.db2.gz XWKZCNKCKXDUSA-MRXNPFEDSA-N 1 2 328.416 1.165 20 30 EDEDLO CC[C@H](C(=O)OC)N1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000348558555 445326259 /nfs/dbraw/zinc/32/62/59/445326259.db2.gz SKGHEXIFRCDEJN-MRXNPFEDSA-N 1 2 331.416 1.636 20 30 EDEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000352371596 445523977 /nfs/dbraw/zinc/52/39/77/445523977.db2.gz KREBTODLJRFGCO-QGZVFWFLSA-N 1 2 342.443 1.230 20 30 EDEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000352371596 445523980 /nfs/dbraw/zinc/52/39/80/445523980.db2.gz KREBTODLJRFGCO-QGZVFWFLSA-N 1 2 342.443 1.230 20 30 EDEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352480496 445533196 /nfs/dbraw/zinc/53/31/96/445533196.db2.gz COUYOLLTIQSWQL-UHFFFAOYSA-N 1 2 346.406 1.720 20 30 EDEDLO CN(C)C(=O)c1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000360062288 445550198 /nfs/dbraw/zinc/55/01/98/445550198.db2.gz WFTDFNBCQIIXLS-QGZVFWFLSA-N 1 2 336.395 1.576 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@H](CC)C(=O)OC)CC1 ZINC000352703021 445550437 /nfs/dbraw/zinc/55/04/37/445550437.db2.gz YSCDONAGDQJZSW-HZPDHXFCSA-N 1 2 339.480 1.369 20 30 EDEDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360068302 445553027 /nfs/dbraw/zinc/55/30/27/445553027.db2.gz HEFUNRAFUINMOV-INIZCTEOSA-N 1 2 340.339 1.791 20 30 EDEDLO CN(C)C(=O)c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000360070930 445553801 /nfs/dbraw/zinc/55/38/01/445553801.db2.gz XIJFYSMIDSDVMO-KRWDZBQOSA-N 1 2 336.395 1.576 20 30 EDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000352815154 445556811 /nfs/dbraw/zinc/55/68/11/445556811.db2.gz JYHPSESPLPWKDZ-CABCVRRESA-N 1 2 336.432 1.834 20 30 EDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000352815154 445556815 /nfs/dbraw/zinc/55/68/15/445556815.db2.gz JYHPSESPLPWKDZ-CABCVRRESA-N 1 2 336.432 1.834 20 30 EDEDLO C[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000352863831 445560177 /nfs/dbraw/zinc/56/01/77/445560177.db2.gz WWDOILFSEUNIEN-ZIAGYGMSSA-N 1 2 329.466 1.099 20 30 EDEDLO C[C@@H]1C[NH+](CCN(C)S(=O)(=O)CC2(C#N)CCC2)C[C@@H](C)O1 ZINC000349443716 445587943 /nfs/dbraw/zinc/58/79/43/445587943.db2.gz AHGNZPGJLQWACX-ZIAGYGMSSA-N 1 2 329.466 1.051 20 30 EDEDLO C=CCOc1ccc(C[N@@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000349252038 445547685 /nfs/dbraw/zinc/54/76/85/445547685.db2.gz SDNUHVIZGQAKPZ-MRXNPFEDSA-N 1 2 339.457 1.887 20 30 EDEDLO C=CCOc1ccc(C[N@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000349252038 445547688 /nfs/dbraw/zinc/54/76/88/445547688.db2.gz SDNUHVIZGQAKPZ-MRXNPFEDSA-N 1 2 339.457 1.887 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CCCCC1 ZINC000352687662 445548326 /nfs/dbraw/zinc/54/83/26/445548326.db2.gz ZWNIHZCXLUUSKR-OLZOCXBDSA-N 1 2 347.381 1.822 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CCCCC1 ZINC000352687662 445548331 /nfs/dbraw/zinc/54/83/31/445548331.db2.gz ZWNIHZCXLUUSKR-OLZOCXBDSA-N 1 2 347.381 1.822 20 30 EDEDLO C=CC[C@H]1N(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)CCCC1(C)C ZINC000358155798 445607640 /nfs/dbraw/zinc/60/76/40/445607640.db2.gz OVKKVKUFPJTPDZ-HUUCEWRRSA-N 1 2 337.464 1.027 20 30 EDEDLO C=CC[C@H]1N(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCCC1(C)C ZINC000358155798 445607643 /nfs/dbraw/zinc/60/76/43/445607643.db2.gz OVKKVKUFPJTPDZ-HUUCEWRRSA-N 1 2 337.464 1.027 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000356050503 445590931 /nfs/dbraw/zinc/59/09/31/445590931.db2.gz JPZGCWLBBRHUIR-CPUCHLNUSA-N 1 2 338.427 1.118 20 30 EDEDLO C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)c1cccc(C#N)c1 ZINC000360329515 445696928 /nfs/dbraw/zinc/69/69/28/445696928.db2.gz STACURQKCWLZHS-RVKKMQEKSA-N 1 2 327.428 1.841 20 30 EDEDLO CC#CCCNC(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000349954043 445733200 /nfs/dbraw/zinc/73/32/00/445733200.db2.gz GXECZORCFUCXQZ-HUUCEWRRSA-N 1 2 336.411 1.916 20 30 EDEDLO CC#CCCNC(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000349954043 445733203 /nfs/dbraw/zinc/73/32/03/445733203.db2.gz GXECZORCFUCXQZ-HUUCEWRRSA-N 1 2 336.411 1.916 20 30 EDEDLO C=CC[C@@H](C)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000350136889 445777855 /nfs/dbraw/zinc/77/78/55/445777855.db2.gz CUATWIKCUZEKJX-CYBMUJFWSA-N 1 2 331.420 1.555 20 30 EDEDLO Cn1ncc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1C#N ZINC000356464987 445805288 /nfs/dbraw/zinc/80/52/88/445805288.db2.gz VBTALJCOTHHMPW-UHFFFAOYSA-N 1 2 327.363 1.389 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000363457895 445812780 /nfs/dbraw/zinc/81/27/80/445812780.db2.gz WOCGUERRSVVLNA-OAHLLOKOSA-N 1 2 346.431 1.436 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000363457895 445812783 /nfs/dbraw/zinc/81/27/83/445812783.db2.gz WOCGUERRSVVLNA-OAHLLOKOSA-N 1 2 346.431 1.436 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC000369159267 445961864 /nfs/dbraw/zinc/96/18/64/445961864.db2.gz XAGZYCXEYFCYCV-LSDHHAIUSA-N 1 2 343.431 1.089 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364991568 445973645 /nfs/dbraw/zinc/97/36/45/445973645.db2.gz RDTUZWHXHAWDER-QZTJIDSGSA-N 1 2 349.438 1.855 20 30 EDEDLO CC(=O)CSCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000365988500 445946836 /nfs/dbraw/zinc/94/68/36/445946836.db2.gz PULVSJYNAHGSJF-UHFFFAOYSA-N 1 2 345.468 1.983 20 30 EDEDLO N#CCC[C@@H](C#N)C[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000369240839 446016668 /nfs/dbraw/zinc/01/66/68/446016668.db2.gz DRMGHAJVJGTGAU-AWEZNQCLSA-N 1 2 326.404 1.136 20 30 EDEDLO N#CCC[C@@H](C#N)C[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000369240839 446016672 /nfs/dbraw/zinc/01/66/72/446016672.db2.gz DRMGHAJVJGTGAU-AWEZNQCLSA-N 1 2 326.404 1.136 20 30 EDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C(N)=O)no2)cc1 ZINC000365112283 446033754 /nfs/dbraw/zinc/03/37/54/446033754.db2.gz SYWIWVPLIHFKTR-RISCZKNCSA-N 1 2 341.371 1.796 20 30 EDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2nc(C(N)=O)no2)cc1 ZINC000365112283 446033758 /nfs/dbraw/zinc/03/37/58/446033758.db2.gz SYWIWVPLIHFKTR-RISCZKNCSA-N 1 2 341.371 1.796 20 30 EDEDLO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)ccc1C#N ZINC000369350981 446094772 /nfs/dbraw/zinc/09/47/72/446094772.db2.gz YNRXBIVKEMKRKT-CQSZACIVSA-N 1 2 344.440 1.946 20 30 EDEDLO COc1ncccc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000373279570 446140418 /nfs/dbraw/zinc/14/04/18/446140418.db2.gz TVUFZIFTDKMISA-AUUYWEPGSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1ncccc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000373279570 446140420 /nfs/dbraw/zinc/14/04/20/446140420.db2.gz TVUFZIFTDKMISA-AUUYWEPGSA-N 1 2 334.379 1.936 20 30 EDEDLO N#CCN(C(=O)c1cnn(CC[NH+]2CCOCC2)c1)C1CCCC1 ZINC000369882832 446163382 /nfs/dbraw/zinc/16/33/82/446163382.db2.gz MVRLKWWZPFNQKH-UHFFFAOYSA-N 1 2 331.420 1.124 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NCc3cccc(C#N)c3)ccn2)CC1 ZINC000351566648 446164584 /nfs/dbraw/zinc/16/45/84/446164584.db2.gz HRKYWOAVPMCHFA-UHFFFAOYSA-N 1 2 335.411 1.375 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C(=O)OC)C(C)(C)C1 ZINC000370227164 446193253 /nfs/dbraw/zinc/19/32/53/446193253.db2.gz IFTSOCYFYCRTFC-LSDHHAIUSA-N 1 2 330.384 1.903 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C(=O)OC)C(C)(C)C1 ZINC000370227164 446193258 /nfs/dbraw/zinc/19/32/58/446193258.db2.gz IFTSOCYFYCRTFC-LSDHHAIUSA-N 1 2 330.384 1.903 20 30 EDEDLO Cc1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)ccc1C#N ZINC000365553211 446252229 /nfs/dbraw/zinc/25/22/29/446252229.db2.gz JNDOXQXDLPMDMR-HNNXBMFYSA-N 1 2 335.429 1.008 20 30 EDEDLO Cc1cc(S(=O)(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)ccc1C#N ZINC000365553211 446252231 /nfs/dbraw/zinc/25/22/31/446252231.db2.gz JNDOXQXDLPMDMR-HNNXBMFYSA-N 1 2 335.429 1.008 20 30 EDEDLO COC1(C[N@@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCOCC1 ZINC000370445828 446282140 /nfs/dbraw/zinc/28/21/40/446282140.db2.gz YGPVWPMUWQPJDM-GOSISDBHSA-N 1 2 329.444 1.892 20 30 EDEDLO COC1(C[N@H+]2CCN(Cc3ccccc3)[C@H](C#N)C2)CCOCC1 ZINC000370445828 446282142 /nfs/dbraw/zinc/28/21/42/446282142.db2.gz YGPVWPMUWQPJDM-GOSISDBHSA-N 1 2 329.444 1.892 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000366751793 446333889 /nfs/dbraw/zinc/33/38/89/446333889.db2.gz ZJLKJHIGCBMAON-IAGOWNOFSA-N 1 2 335.492 1.644 20 30 EDEDLO N#Cc1cccc(CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000366850556 446382479 /nfs/dbraw/zinc/38/24/79/446382479.db2.gz LNZIYUVTZPQDIB-GOSISDBHSA-N 1 2 327.428 1.860 20 30 EDEDLO N#Cc1cccc(CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000366850556 446382483 /nfs/dbraw/zinc/38/24/83/446382483.db2.gz LNZIYUVTZPQDIB-GOSISDBHSA-N 1 2 327.428 1.860 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cn1 ZINC000374909918 446452579 /nfs/dbraw/zinc/45/25/79/446452579.db2.gz IVDSPLYVRGYHFT-UHFFFAOYSA-N 1 2 332.367 1.563 20 30 EDEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000411188070 446421909 /nfs/dbraw/zinc/42/19/09/446421909.db2.gz CGYOOHAVNCHNDP-LBPRGKRZSA-N 1 2 346.387 1.960 20 30 EDEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000411188070 446421913 /nfs/dbraw/zinc/42/19/13/446421913.db2.gz CGYOOHAVNCHNDP-LBPRGKRZSA-N 1 2 346.387 1.960 20 30 EDEDLO C=C(C)Cn1c(N(C)CC[NH+]2CCOCC2)nnc1[C@@]1(C)CCCO1 ZINC000453462974 446558696 /nfs/dbraw/zinc/55/86/96/446558696.db2.gz IGTNLAWNBJICML-GOSISDBHSA-N 1 2 349.479 1.648 20 30 EDEDLO COC(=O)C[C@@H]1COCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000376535248 446560620 /nfs/dbraw/zinc/56/06/20/446560620.db2.gz YHXDUHDJAGSXQW-CQSZACIVSA-N 1 2 334.372 1.210 20 30 EDEDLO COC(=O)C[C@@H]1COCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000376535248 446560627 /nfs/dbraw/zinc/56/06/27/446560627.db2.gz YHXDUHDJAGSXQW-CQSZACIVSA-N 1 2 334.372 1.210 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000453671084 446590999 /nfs/dbraw/zinc/59/09/99/446590999.db2.gz MDINONGRUARULU-OAHLLOKOSA-N 1 2 349.394 1.595 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3ccc(F)cc3)C2=O)C1=O ZINC000411681771 446643936 /nfs/dbraw/zinc/64/39/36/446643936.db2.gz ZMDRPCWIDXDSSQ-JKSUJKDBSA-N 1 2 331.391 1.650 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3ccc(F)cc3)C2=O)C1=O ZINC000411681771 446643944 /nfs/dbraw/zinc/64/39/44/446643944.db2.gz ZMDRPCWIDXDSSQ-JKSUJKDBSA-N 1 2 331.391 1.650 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000421041085 447006191 /nfs/dbraw/zinc/00/61/91/447006191.db2.gz OMZQEUCKGJPAQH-INIZCTEOSA-N 1 2 334.464 1.519 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000421041085 447006196 /nfs/dbraw/zinc/00/61/96/447006196.db2.gz OMZQEUCKGJPAQH-INIZCTEOSA-N 1 2 334.464 1.519 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000454989585 447021992 /nfs/dbraw/zinc/02/19/92/447021992.db2.gz JRGMGGFSNYIPLP-AWEZNQCLSA-N 1 2 334.420 1.675 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)COC3CCOCC3)CCO2)c1 ZINC000372344905 447042480 /nfs/dbraw/zinc/04/24/80/447042480.db2.gz IOKOVYCWOHOEKA-HKUYNNGSSA-N 1 2 346.427 1.488 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)COC3CCOCC3)CCO2)c1 ZINC000372344905 447042486 /nfs/dbraw/zinc/04/24/86/447042486.db2.gz IOKOVYCWOHOEKA-HKUYNNGSSA-N 1 2 346.427 1.488 20 30 EDEDLO Cc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413170018 447046272 /nfs/dbraw/zinc/04/62/72/447046272.db2.gz BMNWDKGETFPREN-UHFFFAOYSA-N 1 2 331.376 1.161 20 30 EDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000419282743 447055955 /nfs/dbraw/zinc/05/59/55/447055955.db2.gz RBLMYOXPNOYGPF-HNNXBMFYSA-N 1 2 329.400 1.713 20 30 EDEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000419282743 447055960 /nfs/dbraw/zinc/05/59/60/447055960.db2.gz RBLMYOXPNOYGPF-HNNXBMFYSA-N 1 2 329.400 1.713 20 30 EDEDLO Cc1cc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c(C#N)cn1 ZINC000425251718 447080678 /nfs/dbraw/zinc/08/06/78/447080678.db2.gz GBAUWWNWMDHKMH-HOTGVXAUSA-N 1 2 328.395 1.442 20 30 EDEDLO Cc1cc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c(C#N)cn1 ZINC000425251718 447080683 /nfs/dbraw/zinc/08/06/83/447080683.db2.gz GBAUWWNWMDHKMH-HOTGVXAUSA-N 1 2 328.395 1.442 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000425473638 447180782 /nfs/dbraw/zinc/18/07/82/447180782.db2.gz XYFKOKKCQQWJPE-JKSUJKDBSA-N 1 2 343.475 1.897 20 30 EDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000368913092 447199825 /nfs/dbraw/zinc/19/98/25/447199825.db2.gz UCRCQRAYDXTLJR-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000368913092 447199828 /nfs/dbraw/zinc/19/98/28/447199828.db2.gz UCRCQRAYDXTLJR-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000445902134 447205699 /nfs/dbraw/zinc/20/56/99/447205699.db2.gz CBRPJBLUBXQHLV-SFHVURJKSA-N 1 2 328.416 1.165 20 30 EDEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000445902134 447205705 /nfs/dbraw/zinc/20/57/05/447205705.db2.gz CBRPJBLUBXQHLV-SFHVURJKSA-N 1 2 328.416 1.165 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000447815068 447292743 /nfs/dbraw/zinc/29/27/43/447292743.db2.gz BKULJRQVRCDLPK-XHHISWJOSA-N 1 2 337.464 1.698 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000447815068 447292752 /nfs/dbraw/zinc/29/27/52/447292752.db2.gz BKULJRQVRCDLPK-XHHISWJOSA-N 1 2 337.464 1.698 20 30 EDEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000413832539 447258748 /nfs/dbraw/zinc/25/87/48/447258748.db2.gz IXISOGOVUHCVPH-FGTMMUONSA-N 1 2 329.444 1.898 20 30 EDEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000413832539 447258755 /nfs/dbraw/zinc/25/87/55/447258755.db2.gz IXISOGOVUHCVPH-FGTMMUONSA-N 1 2 329.444 1.898 20 30 EDEDLO Cc1nnc(SC[C@H](O)C[N@H+](C)CCC#N)n1Cc1ccccc1 ZINC000414092257 447274309 /nfs/dbraw/zinc/27/43/09/447274309.db2.gz FNFIBBMMPSZNAH-MRXNPFEDSA-N 1 2 345.472 1.933 20 30 EDEDLO Cc1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)n1Cc1ccccc1 ZINC000414092257 447274314 /nfs/dbraw/zinc/27/43/14/447274314.db2.gz FNFIBBMMPSZNAH-MRXNPFEDSA-N 1 2 345.472 1.933 20 30 EDEDLO C=CCC[C@H](CO)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000456764393 447455770 /nfs/dbraw/zinc/45/57/70/447455770.db2.gz FQHFWSBMIVTEGD-DOTOQJQBSA-N 1 2 349.450 1.780 20 30 EDEDLO C=CCC[C@H]1NC(=O)N(C[C@H](c2ccccc2)[NH+]2CCOCC2)C1=O ZINC000419960250 447515180 /nfs/dbraw/zinc/51/51/80/447515180.db2.gz XSOYVFQRRAQTMT-IAGOWNOFSA-N 1 2 343.427 1.947 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC1(C#N)CCC1)CC2 ZINC000416345779 447576540 /nfs/dbraw/zinc/57/65/40/447576540.db2.gz IWAPRSLNKOEEBI-UHFFFAOYSA-N 1 2 343.427 1.872 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC1(C#N)CCC1)CC2 ZINC000416345779 447576544 /nfs/dbraw/zinc/57/65/44/447576544.db2.gz IWAPRSLNKOEEBI-UHFFFAOYSA-N 1 2 343.427 1.872 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422435182 447551788 /nfs/dbraw/zinc/55/17/88/447551788.db2.gz RJKDEOXSMRJPBO-CVEARBPZSA-N 1 2 331.416 1.412 20 30 EDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000459464412 447674847 /nfs/dbraw/zinc/67/48/47/447674847.db2.gz MGBYFHVIHXLHRT-HZMBPMFUSA-N 1 2 336.342 1.301 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459473652 447680338 /nfs/dbraw/zinc/68/03/38/447680338.db2.gz XBLZTMXUYUYENK-UKRRQHHQSA-N 1 2 330.388 1.761 20 30 EDEDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459473652 447680347 /nfs/dbraw/zinc/68/03/47/447680347.db2.gz XBLZTMXUYUYENK-UKRRQHHQSA-N 1 2 330.388 1.761 20 30 EDEDLO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459473652 447680352 /nfs/dbraw/zinc/68/03/52/447680352.db2.gz XBLZTMXUYUYENK-UKRRQHHQSA-N 1 2 330.388 1.761 20 30 EDEDLO CS(=O)(=O)CC1(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000428795096 447716223 /nfs/dbraw/zinc/71/62/23/447716223.db2.gz VQJKQWDVWOKIGT-CQSZACIVSA-N 1 2 335.429 1.231 20 30 EDEDLO CS(=O)(=O)CC1(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000428795096 447716231 /nfs/dbraw/zinc/71/62/31/447716231.db2.gz VQJKQWDVWOKIGT-CQSZACIVSA-N 1 2 335.429 1.231 20 30 EDEDLO C=CC[N@@H+](CCC#N)CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000428866974 447718076 /nfs/dbraw/zinc/71/80/76/447718076.db2.gz LFDYJTLUNCMPEY-UHFFFAOYSA-N 1 2 337.445 1.717 20 30 EDEDLO C=CC[N@H+](CCC#N)CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000428866974 447718080 /nfs/dbraw/zinc/71/80/80/447718080.db2.gz LFDYJTLUNCMPEY-UHFFFAOYSA-N 1 2 337.445 1.717 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000410689083 447721865 /nfs/dbraw/zinc/72/18/65/447721865.db2.gz PELRIZMYYXIMBG-UHFFFAOYSA-N 1 2 330.432 1.463 20 30 EDEDLO CO[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H]1O ZINC000451752016 447750138 /nfs/dbraw/zinc/75/01/38/447750138.db2.gz WIHUYDHKZOJDCE-IAGOWNOFSA-N 1 2 331.416 1.242 20 30 EDEDLO CO[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H]1O ZINC000451752016 447750145 /nfs/dbraw/zinc/75/01/45/447750145.db2.gz WIHUYDHKZOJDCE-IAGOWNOFSA-N 1 2 331.416 1.242 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNS(=O)(=O)CC2(C#N)CCCC2)CCO1 ZINC000487381326 447831268 /nfs/dbraw/zinc/83/12/68/447831268.db2.gz XNXYLAVHCFAVGH-CQSZACIVSA-N 1 2 329.466 1.101 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNS(=O)(=O)CC2(C#N)CCCC2)CCO1 ZINC000487381326 447831270 /nfs/dbraw/zinc/83/12/70/447831270.db2.gz XNXYLAVHCFAVGH-CQSZACIVSA-N 1 2 329.466 1.101 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1C ZINC000489720036 447869459 /nfs/dbraw/zinc/86/94/59/447869459.db2.gz KVWQLSDSQODINK-VXGBXAGGSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1C ZINC000489720036 447869465 /nfs/dbraw/zinc/86/94/65/447869465.db2.gz KVWQLSDSQODINK-VXGBXAGGSA-N 1 2 325.409 1.801 20 30 EDEDLO C#CC[N@@H+](CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000490853784 447899777 /nfs/dbraw/zinc/89/97/77/447899777.db2.gz UUJUUPFEIVTUPT-HNNXBMFYSA-N 1 2 325.405 1.717 20 30 EDEDLO C#CC[N@H+](CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000490853784 447899782 /nfs/dbraw/zinc/89/97/82/447899782.db2.gz UUJUUPFEIVTUPT-HNNXBMFYSA-N 1 2 325.405 1.717 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000491100887 447922853 /nfs/dbraw/zinc/92/28/53/447922853.db2.gz IEMQVZLFMSXSNB-GFCCVEGCSA-N 1 2 349.381 1.753 20 30 EDEDLO C[C@H]1C[N@H+](CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000525193386 447976604 /nfs/dbraw/zinc/97/66/04/447976604.db2.gz VXRNNLZCYRTCQV-LBPRGKRZSA-N 1 2 341.371 2.147 20 30 EDEDLO C[C@H]1C[N@@H+](CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000525193386 447976608 /nfs/dbraw/zinc/97/66/08/447976608.db2.gz VXRNNLZCYRTCQV-LBPRGKRZSA-N 1 2 341.371 2.147 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)NCC#Cc3ccccc3)ccc2n1C ZINC000530921898 447984901 /nfs/dbraw/zinc/98/49/01/447984901.db2.gz AFNZYPJDRQRTHA-UHFFFAOYSA-N 1 2 346.390 1.988 20 30 EDEDLO COC(=O)N1CCN(c2ccc(Nc3cncc(C#N)n3)c[nH+]2)CC1 ZINC000496895932 448014107 /nfs/dbraw/zinc/01/41/07/448014107.db2.gz VARNRPDXZNPHNU-UHFFFAOYSA-N 1 2 339.359 1.375 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000496882264 447999012 /nfs/dbraw/zinc/99/90/12/447999012.db2.gz IVGUSTJUBYPVLU-CQSZACIVSA-N 1 2 336.436 1.492 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000496882264 447999015 /nfs/dbraw/zinc/99/90/15/447999015.db2.gz IVGUSTJUBYPVLU-CQSZACIVSA-N 1 2 336.436 1.492 20 30 EDEDLO CCOC(=O)C(C)(C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000554576891 448036160 /nfs/dbraw/zinc/03/61/60/448036160.db2.gz IPHWNHLSMDSOGK-UHFFFAOYSA-N 1 2 339.436 1.040 20 30 EDEDLO C#CC[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000496902567 448017835 /nfs/dbraw/zinc/01/78/35/448017835.db2.gz NAJJSCNCRQWMKO-GOSISDBHSA-N 1 2 346.431 1.861 20 30 EDEDLO C#C[C@@H](NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1)C(C)C ZINC000491660949 448077085 /nfs/dbraw/zinc/07/70/85/448077085.db2.gz PEZGPAATAOBSEF-QGZVFWFLSA-N 1 2 333.432 1.781 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000576531778 448077452 /nfs/dbraw/zinc/07/74/52/448077452.db2.gz FECBNQHXNICHHM-XMMPIXPASA-N 1 2 340.452 1.883 20 30 EDEDLO C#C[C@H](CC)NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000491718747 448088513 /nfs/dbraw/zinc/08/85/13/448088513.db2.gz WBNFOCABZIGJMY-ZIAGYGMSSA-N 1 2 338.452 1.249 20 30 EDEDLO C#C[C@H](CC)NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000491718747 448088515 /nfs/dbraw/zinc/08/85/15/448088515.db2.gz WBNFOCABZIGJMY-ZIAGYGMSSA-N 1 2 338.452 1.249 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000571095647 448108598 /nfs/dbraw/zinc/10/85/98/448108598.db2.gz NBNLRBOFHFASCT-CQSZACIVSA-N 1 2 328.416 1.459 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c(C)nn(C)c3c2)CC1 ZINC000491771121 448115159 /nfs/dbraw/zinc/11/51/59/448115159.db2.gz NUMWULRQOIMETF-UHFFFAOYSA-N 1 2 325.416 1.071 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CC)CC(F)(F)F)CC1 ZINC000491779157 448119484 /nfs/dbraw/zinc/11/94/84/448119484.db2.gz ZJSOLMRWILLCFG-CYBMUJFWSA-N 1 2 347.381 1.249 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC)CC(F)(F)F)CC1 ZINC000491779157 448119487 /nfs/dbraw/zinc/11/94/87/448119487.db2.gz ZJSOLMRWILLCFG-CYBMUJFWSA-N 1 2 347.381 1.249 20 30 EDEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000576708019 448121831 /nfs/dbraw/zinc/12/18/31/448121831.db2.gz GXDIYARCLNQDQH-HOTGVXAUSA-N 1 2 347.463 1.018 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000527294883 448203617 /nfs/dbraw/zinc/20/36/17/448203617.db2.gz WWPHICGYXCUIFZ-CQSZACIVSA-N 1 2 332.473 1.817 20 30 EDEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NCC2(C#N)CC2)cc1 ZINC000559295936 448208874 /nfs/dbraw/zinc/20/88/74/448208874.db2.gz QUAFXXHKIIJYBX-QGZVFWFLSA-N 1 2 342.443 1.971 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000565959223 448385337 /nfs/dbraw/zinc/38/53/37/448385337.db2.gz JXRRIXXLAABXQR-MRXNPFEDSA-N 1 2 325.416 1.813 20 30 EDEDLO C[C@H]1Sc2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2NC1=O ZINC000566061447 448388105 /nfs/dbraw/zinc/38/81/05/448388105.db2.gz FZHKRABOXCKVOA-QLJPJBMISA-N 1 2 332.429 1.693 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000516323432 448412302 /nfs/dbraw/zinc/41/23/02/448412302.db2.gz IMLVRDIOBXYRQT-ZFWWWQNUSA-N 1 2 325.372 1.645 20 30 EDEDLO C[C@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000516827491 448476787 /nfs/dbraw/zinc/47/67/87/448476787.db2.gz SLSRYTXYXDTATB-ZDUSSCGKSA-N 1 2 333.395 1.923 20 30 EDEDLO C=CCNC(=O)Nc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000591773652 448488639 /nfs/dbraw/zinc/48/86/39/448488639.db2.gz ZDTGMDMPDIGZHE-INIZCTEOSA-N 1 2 331.420 1.612 20 30 EDEDLO C=CCNC(=O)Nc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000591773652 448488642 /nfs/dbraw/zinc/48/86/42/448488642.db2.gz ZDTGMDMPDIGZHE-INIZCTEOSA-N 1 2 331.420 1.612 20 30 EDEDLO CCn1cc[nH+]c1CN1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000591819446 448497241 /nfs/dbraw/zinc/49/72/41/448497241.db2.gz DDYFEVNKUODBLR-UHFFFAOYSA-N 1 2 336.443 1.981 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)nc1N ZINC000566747001 448551938 /nfs/dbraw/zinc/55/19/38/448551938.db2.gz DLHDHQAHAKQCKP-UHFFFAOYSA-N 1 2 342.447 1.106 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000592148475 448708351 /nfs/dbraw/zinc/70/83/51/448708351.db2.gz YUVCIMMOGKRVAU-CQSZACIVSA-N 1 2 327.306 1.994 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000592148475 448708356 /nfs/dbraw/zinc/70/83/56/448708356.db2.gz YUVCIMMOGKRVAU-CQSZACIVSA-N 1 2 327.306 1.994 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149519 448710385 /nfs/dbraw/zinc/71/03/85/448710385.db2.gz QJKXQXREGVYNDV-YJBOKZPZSA-N 1 2 326.400 1.672 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149519 448710393 /nfs/dbraw/zinc/71/03/93/448710393.db2.gz QJKXQXREGVYNDV-YJBOKZPZSA-N 1 2 326.400 1.672 20 30 EDEDLO COc1ncncc1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000592366623 448806530 /nfs/dbraw/zinc/80/65/30/448806530.db2.gz FBWPHWBKMAZCHJ-INIZCTEOSA-N 1 2 337.383 1.248 20 30 EDEDLO N#CCc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cc1 ZINC000585800551 448782430 /nfs/dbraw/zinc/78/24/30/448782430.db2.gz QLGHYLZWAJEDHA-SJORKVTESA-N 1 2 331.391 1.524 20 30 EDEDLO N#CCc1ccc(C[N@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cc1 ZINC000585800551 448782437 /nfs/dbraw/zinc/78/24/37/448782437.db2.gz QLGHYLZWAJEDHA-SJORKVTESA-N 1 2 331.391 1.524 20 30 EDEDLO C=CCCCC[NH+]1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000519801616 448845707 /nfs/dbraw/zinc/84/57/07/448845707.db2.gz WBXGTRHFJRTLBL-UHFFFAOYSA-N 1 2 327.450 1.954 20 30 EDEDLO C=CCCc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000546462459 448827556 /nfs/dbraw/zinc/82/75/56/448827556.db2.gz KSVRIFGSNJVKAQ-UHFFFAOYSA-N 1 2 327.388 1.638 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000587056529 448832801 /nfs/dbraw/zinc/83/28/01/448832801.db2.gz HPYJMFPVAIISJL-QAPCUYQASA-N 1 2 335.411 1.855 20 30 EDEDLO C[C@H](NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000587700401 448842215 /nfs/dbraw/zinc/84/22/15/448842215.db2.gz DBXHYOSYAKSHAF-SWLSCSKDSA-N 1 2 337.383 1.063 20 30 EDEDLO C=CCC[C@H]1NC(=O)N(Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1=O ZINC000520205710 448871159 /nfs/dbraw/zinc/87/11/59/448871159.db2.gz DZXWDTADLDJUDH-DZGCQCFKSA-N 1 2 344.415 1.693 20 30 EDEDLO CCCc1ncc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000574803735 448959891 /nfs/dbraw/zinc/95/98/91/448959891.db2.gz LPIJBIKHODPORQ-UHFFFAOYSA-N 1 2 334.401 1.457 20 30 EDEDLO Cc1cnn(C)c1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000589159972 448978990 /nfs/dbraw/zinc/97/89/90/448978990.db2.gz AQYQCSPORAGHJL-UHFFFAOYSA-N 1 2 326.404 1.788 20 30 EDEDLO CCn1c2nnc(C[NH2+][C@H]3CCC[C@@H]3C#N)n2c2ccccc2c1=O ZINC000589164117 448980688 /nfs/dbraw/zinc/98/06/88/448980688.db2.gz QIWXUZHIIRHSEB-OCCSQVGLSA-N 1 2 336.399 1.846 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000575053451 449024016 /nfs/dbraw/zinc/02/40/16/449024016.db2.gz LUSSWLSRNDAXDB-UHFFFAOYSA-N 1 2 331.397 1.987 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ncc(C#N)cc2Cl)C1 ZINC000548351772 449032151 /nfs/dbraw/zinc/03/21/51/449032151.db2.gz ILOHGRQVUXRJSA-CQSZACIVSA-N 1 2 348.834 1.789 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ncc(C#N)cc2Cl)C1 ZINC000548351772 449032156 /nfs/dbraw/zinc/03/21/56/449032156.db2.gz ILOHGRQVUXRJSA-CQSZACIVSA-N 1 2 348.834 1.789 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595606568 449075006 /nfs/dbraw/zinc/07/50/06/449075006.db2.gz IIBXXASJMPMGRX-GOEBONIOSA-N 1 2 325.372 1.386 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595606568 449075012 /nfs/dbraw/zinc/07/50/12/449075012.db2.gz IIBXXASJMPMGRX-GOEBONIOSA-N 1 2 325.372 1.386 20 30 EDEDLO CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccsc1C#N ZINC000593608686 449105379 /nfs/dbraw/zinc/10/53/79/449105379.db2.gz OZNICAKNKVOBMP-UHFFFAOYSA-N 1 2 343.474 1.351 20 30 EDEDLO N#CCNC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000599934199 449114195 /nfs/dbraw/zinc/11/41/95/449114195.db2.gz OIELONNNCUJXTR-CQSZACIVSA-N 1 2 334.807 1.060 20 30 EDEDLO N#CCNC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000599934199 449114200 /nfs/dbraw/zinc/11/42/00/449114200.db2.gz OIELONNNCUJXTR-CQSZACIVSA-N 1 2 334.807 1.060 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)CSc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000597995033 449179343 /nfs/dbraw/zinc/17/93/43/449179343.db2.gz DJEQLTZZMRDWIT-UONOGXRCSA-N 1 2 333.457 1.876 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)CSc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000597995033 449179349 /nfs/dbraw/zinc/17/93/49/449179349.db2.gz DJEQLTZZMRDWIT-UONOGXRCSA-N 1 2 333.457 1.876 20 30 EDEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834855 449198137 /nfs/dbraw/zinc/19/81/37/449198137.db2.gz MEKKGGZFSIKPDU-HNAYVOBHSA-N 1 2 343.427 1.910 20 30 EDEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834855 449198140 /nfs/dbraw/zinc/19/81/40/449198140.db2.gz MEKKGGZFSIKPDU-HNAYVOBHSA-N 1 2 343.427 1.910 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@](C)(C#N)C2)c(OC)c1 ZINC000595836126 449199978 /nfs/dbraw/zinc/19/99/78/449199978.db2.gz VXVVJXXOTOETAS-RDTXWAMCSA-N 1 2 348.399 1.457 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CC[C@](C)(C#N)C2)c(OC)c1 ZINC000595836126 449199985 /nfs/dbraw/zinc/19/99/85/449199985.db2.gz VXVVJXXOTOETAS-RDTXWAMCSA-N 1 2 348.399 1.457 20 30 EDEDLO C[C@]1(C#N)CC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000595841048 449200710 /nfs/dbraw/zinc/20/07/10/449200710.db2.gz USHDGGQAZPIVEN-WMLDXEAASA-N 1 2 328.372 1.100 20 30 EDEDLO C[C@]1(C#N)CC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000595841048 449200716 /nfs/dbraw/zinc/20/07/16/449200716.db2.gz USHDGGQAZPIVEN-WMLDXEAASA-N 1 2 328.372 1.100 20 30 EDEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000595823409 449186347 /nfs/dbraw/zinc/18/63/47/449186347.db2.gz KSFJBZCBOVPYKI-CYBMUJFWSA-N 1 2 331.376 1.654 20 30 EDEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000595823409 449186354 /nfs/dbraw/zinc/18/63/54/449186354.db2.gz KSFJBZCBOVPYKI-CYBMUJFWSA-N 1 2 331.376 1.654 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000598001298 449188375 /nfs/dbraw/zinc/18/83/75/449188375.db2.gz YXAYVCTYLNEPBV-LSDHHAIUSA-N 1 2 345.443 1.941 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000598001298 449188376 /nfs/dbraw/zinc/18/83/76/449188376.db2.gz YXAYVCTYLNEPBV-LSDHHAIUSA-N 1 2 345.443 1.941 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cn2cccc(F)c2n1 ZINC000611249242 449238103 /nfs/dbraw/zinc/23/81/03/449238103.db2.gz RZGXUFODNZZXMY-UHFFFAOYSA-N 1 2 331.395 1.521 20 30 EDEDLO Cn1cc(N2CCC[C@H]([NH2+]Cc3cccc(F)c3C#N)C2=O)cn1 ZINC000602010723 449273476 /nfs/dbraw/zinc/27/34/76/449273476.db2.gz IUXRWEJMFJYVHZ-INIZCTEOSA-N 1 2 327.363 1.716 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N([C@H](C)C#N)C1CC1 ZINC000598135322 449252880 /nfs/dbraw/zinc/25/28/80/449252880.db2.gz SKZWNPGJXVPFCZ-DOMZBBRYSA-N 1 2 331.420 1.386 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N([C@H](C)C#N)C1CC1 ZINC000598135322 449252886 /nfs/dbraw/zinc/25/28/86/449252886.db2.gz SKZWNPGJXVPFCZ-DOMZBBRYSA-N 1 2 331.420 1.386 20 30 EDEDLO C[C@@H](C(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C)n1cnc(C#N)n1 ZINC000593312016 449220726 /nfs/dbraw/zinc/22/07/26/449220726.db2.gz HMTZBYGSUHNEGQ-ZFWWWQNUSA-N 1 2 349.398 1.544 20 30 EDEDLO N#CC1(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)CC1 ZINC000611428990 449287830 /nfs/dbraw/zinc/28/78/30/449287830.db2.gz UEZMLACLJRREHM-UHFFFAOYSA-N 1 2 325.459 1.795 20 30 EDEDLO N#Cc1cc(F)cc(NC(=O)C(=O)NC[C@H]2CCCn3cc[nH+]c32)c1 ZINC000602039850 449292531 /nfs/dbraw/zinc/29/25/31/449292531.db2.gz VIYWGTHCAZOYLX-GFCCVEGCSA-N 1 2 341.346 1.526 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CCC[C@](COC)(C(=O)OCC)C2)nn1 ZINC000593985591 449312078 /nfs/dbraw/zinc/31/20/78/449312078.db2.gz GKDFKNNZNWWZLG-KRWDZBQOSA-N 1 2 336.436 1.646 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@](COC)(C(=O)OCC)C2)nn1 ZINC000593985591 449312081 /nfs/dbraw/zinc/31/20/81/449312081.db2.gz GKDFKNNZNWWZLG-KRWDZBQOSA-N 1 2 336.436 1.646 20 30 EDEDLO Cc1cc(N2CCN(c3c(C#N)cnn3C)CC2)nc(C(C)C)[nH+]1 ZINC000596059928 449341344 /nfs/dbraw/zinc/34/13/44/449341344.db2.gz DCEKVSRAXTYDIU-UHFFFAOYSA-N 1 2 325.420 1.840 20 30 EDEDLO Cc1ccc(C#N)nc1N1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000596112784 449368065 /nfs/dbraw/zinc/36/80/65/449368065.db2.gz VYUNOCIYCGFAGJ-UHFFFAOYSA-N 1 2 341.459 1.833 20 30 EDEDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000590887412 449333925 /nfs/dbraw/zinc/33/39/25/449333925.db2.gz MWLXRQWQCNSRQM-UHFFFAOYSA-N 1 2 330.432 1.410 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598460168 449406668 /nfs/dbraw/zinc/40/66/68/449406668.db2.gz RILUHSWOGGZGJH-ZDUSSCGKSA-N 1 2 328.420 1.957 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000596137871 449381913 /nfs/dbraw/zinc/38/19/13/449381913.db2.gz ZCZHNNOYGDRSBX-AWEZNQCLSA-N 1 2 330.432 1.813 20 30 EDEDLO C[C@H](CNS(=O)(=O)CC1(C#N)CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471373 449537789 /nfs/dbraw/zinc/53/77/89/449537789.db2.gz FBJSDIOOYKHPMX-MCIONIFRSA-N 1 2 329.466 1.097 20 30 EDEDLO C[C@H](CNS(=O)(=O)CC1(C#N)CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471373 449537797 /nfs/dbraw/zinc/53/77/97/449537797.db2.gz FBJSDIOOYKHPMX-MCIONIFRSA-N 1 2 329.466 1.097 20 30 EDEDLO N#Cc1ccc(-c2ccc(N3CCC[C@H](C(N)=O)C3)[nH+]c2)c(CO)c1 ZINC000600779753 449544750 /nfs/dbraw/zinc/54/47/50/449544750.db2.gz FBKKGRQBMOLXEM-HNNXBMFYSA-N 1 2 336.395 1.814 20 30 EDEDLO N#CC1(CC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCOCC1 ZINC000596701889 449613767 /nfs/dbraw/zinc/61/37/67/449613767.db2.gz ZASJJDKWSACXJK-UHFFFAOYSA-N 1 2 328.416 1.436 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@](C)(C#N)C1 ZINC000596803112 449659318 /nfs/dbraw/zinc/65/93/18/449659318.db2.gz KAQGQUGKBGWKMM-QGZVFWFLSA-N 1 2 329.404 1.994 20 30 EDEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000614605576 449706648 /nfs/dbraw/zinc/70/66/48/449706648.db2.gz GZDKXFNMYJGFKC-FUHWJXTLSA-N 1 2 345.443 1.435 20 30 EDEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000614605576 449706651 /nfs/dbraw/zinc/70/66/51/449706651.db2.gz GZDKXFNMYJGFKC-FUHWJXTLSA-N 1 2 345.443 1.435 20 30 EDEDLO N#CCC1(C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)CC1 ZINC000602759032 449787817 /nfs/dbraw/zinc/78/78/17/449787817.db2.gz OIHDPPXNSJRHCA-UHFFFAOYSA-N 1 2 326.444 1.614 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1)OCC ZINC000614662996 449747314 /nfs/dbraw/zinc/74/73/14/449747314.db2.gz LJRSQOQPVDWCJO-CABCVRRESA-N 1 2 336.436 1.769 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)OCC ZINC000614662996 449747318 /nfs/dbraw/zinc/74/73/18/449747318.db2.gz LJRSQOQPVDWCJO-CABCVRRESA-N 1 2 336.436 1.769 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)OCC ZINC000614662997 449747681 /nfs/dbraw/zinc/74/76/81/449747681.db2.gz LJRSQOQPVDWCJO-GJZGRUSLSA-N 1 2 336.436 1.769 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)OCC ZINC000614662997 449747686 /nfs/dbraw/zinc/74/76/86/449747686.db2.gz LJRSQOQPVDWCJO-GJZGRUSLSA-N 1 2 336.436 1.769 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc([N+](=O)[O-])cc1C#N ZINC000599131240 449753729 /nfs/dbraw/zinc/75/37/29/449753729.db2.gz OLATUMCFYPWBQM-QGZVFWFLSA-N 1 2 346.387 1.494 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc([N+](=O)[O-])cc1C#N ZINC000599131240 449753733 /nfs/dbraw/zinc/75/37/33/449753733.db2.gz OLATUMCFYPWBQM-QGZVFWFLSA-N 1 2 346.387 1.494 20 30 EDEDLO CO[C@@H](Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)C1CCC1 ZINC000594897271 449798759 /nfs/dbraw/zinc/79/87/59/449798759.db2.gz OSXJTKOVACIGAL-KRWDZBQOSA-N 1 2 331.416 1.367 20 30 EDEDLO C[C@@H]1C[N@@H+](CCCS(=O)(=O)c2ccccc2)C[C@H](C)N1CC#N ZINC000602853105 449859913 /nfs/dbraw/zinc/85/99/13/449859913.db2.gz GVMXRGWHJHMJFO-IYBDPMFKSA-N 1 2 335.473 1.769 20 30 EDEDLO C[C@@H]1C[N@H+](CCCS(=O)(=O)c2ccccc2)C[C@H](C)N1CC#N ZINC000602853105 449859915 /nfs/dbraw/zinc/85/99/15/449859915.db2.gz GVMXRGWHJHMJFO-IYBDPMFKSA-N 1 2 335.473 1.769 20 30 EDEDLO C[C@@H]1C[NH+](CCCS(=O)(=O)c2ccccc2)C[C@@H](C)N1CC#N ZINC000602853104 449861058 /nfs/dbraw/zinc/86/10/58/449861058.db2.gz GVMXRGWHJHMJFO-HZPDHXFCSA-N 1 2 335.473 1.769 20 30 EDEDLO Cc1ccccc1CCNC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854660 449861318 /nfs/dbraw/zinc/86/13/18/449861318.db2.gz CXXWFBJNMQUBSX-IAGOWNOFSA-N 1 2 328.460 1.572 20 30 EDEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)N1CC#N ZINC000602860491 449870123 /nfs/dbraw/zinc/87/01/23/449870123.db2.gz IVRPMMVYGVPURE-DAYGRLMNSA-N 1 2 337.427 1.582 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)N1CC#N ZINC000602860491 449870128 /nfs/dbraw/zinc/87/01/28/449870128.db2.gz IVRPMMVYGVPURE-DAYGRLMNSA-N 1 2 337.427 1.582 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)Nc2cc(C(C)(C)C)nn2C)C[C@H](C)N1CC#N ZINC000602865617 449874358 /nfs/dbraw/zinc/87/43/58/449874358.db2.gz UHAMYGCBPDNZSG-KBPBESRZSA-N 1 2 346.479 1.574 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000601421629 449938411 /nfs/dbraw/zinc/93/84/11/449938411.db2.gz INBXFJZMHCLAFH-TXEJJXNPSA-N 1 2 325.409 1.719 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000601421629 449938416 /nfs/dbraw/zinc/93/84/16/449938416.db2.gz INBXFJZMHCLAFH-TXEJJXNPSA-N 1 2 325.409 1.719 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595219842 449956368 /nfs/dbraw/zinc/95/63/68/449956368.db2.gz SQAFMRIVRUVBMP-SNVBAGLBSA-N 1 2 327.344 1.116 20 30 EDEDLO C[N@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602973865 449974545 /nfs/dbraw/zinc/97/45/45/449974545.db2.gz GQBDMGZDGAHLME-IRXDYDNUSA-N 1 2 342.443 1.515 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602973865 449974552 /nfs/dbraw/zinc/97/45/52/449974552.db2.gz GQBDMGZDGAHLME-IRXDYDNUSA-N 1 2 342.443 1.515 20 30 EDEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1C[C@@H](O)CC(C)(C)C#N ZINC000599446394 449982062 /nfs/dbraw/zinc/98/20/62/449982062.db2.gz RVNBOWDSLDCELM-BLLLJJGKSA-N 1 2 328.420 1.391 20 30 EDEDLO N#CC1(CNC(=O)c2ccc(NCC[NH+]3CCOCC3)c(F)c2)CC1 ZINC000601545283 450065706 /nfs/dbraw/zinc/06/57/06/450065706.db2.gz PCXDGWPTSCEMSG-UHFFFAOYSA-N 1 2 346.406 1.603 20 30 EDEDLO N#Cc1cccc(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)n1 ZINC000603046329 450032298 /nfs/dbraw/zinc/03/22/98/450032298.db2.gz YCIMPFCQAGGKEJ-UHFFFAOYSA-N 1 2 337.387 1.135 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)NCc2ccccc2)CC1 ZINC000609487198 450036857 /nfs/dbraw/zinc/03/68/57/450036857.db2.gz YIUCPWRCHJLEIF-AEFFLSMTSA-N 1 2 328.460 1.857 20 30 EDEDLO N#CCCN1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000601564833 450076924 /nfs/dbraw/zinc/07/69/24/450076924.db2.gz GODDNAYTCUOZLF-UHFFFAOYSA-N 1 2 327.432 1.243 20 30 EDEDLO COCC[N@H+](C)Cc1cn([C@@H](C)C(=O)Nc2ccccc2C#N)nn1 ZINC000603175820 450113932 /nfs/dbraw/zinc/11/39/32/450113932.db2.gz MLKARJAQFMRLQH-ZDUSSCGKSA-N 1 2 342.403 1.428 20 30 EDEDLO COCC[N@@H+](C)Cc1cn([C@@H](C)C(=O)Nc2ccccc2C#N)nn1 ZINC000603175820 450113935 /nfs/dbraw/zinc/11/39/35/450113935.db2.gz MLKARJAQFMRLQH-ZDUSSCGKSA-N 1 2 342.403 1.428 20 30 EDEDLO CCOC(=O)C1CC[NH+](Cc2cn(CC3(C#N)CCC3)nn2)CC1 ZINC000603255262 450183431 /nfs/dbraw/zinc/18/34/31/450183431.db2.gz FGNAHPXMFGLAIU-UHFFFAOYSA-N 1 2 331.420 1.747 20 30 EDEDLO COC1(CO)CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000618551177 450241025 /nfs/dbraw/zinc/24/10/25/450241025.db2.gz MCUMRBXTNUKXBP-UHFFFAOYSA-N 1 2 337.807 1.623 20 30 EDEDLO COC[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1ccco1 ZINC000625316983 450288818 /nfs/dbraw/zinc/28/88/18/450288818.db2.gz BIBVXNMFIFNFKT-INIZCTEOSA-N 1 2 338.363 1.856 20 30 EDEDLO N#C[C@]1(F)CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000619681703 450306372 /nfs/dbraw/zinc/30/63/72/450306372.db2.gz HRNSARLOKMSFNC-OAHLLOKOSA-N 1 2 334.376 1.558 20 30 EDEDLO C=C[C@](C)(CC)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619943909 450380926 /nfs/dbraw/zinc/38/09/26/450380926.db2.gz IYPPTXZGXFPPFE-WOJBJXKFSA-N 1 2 346.471 1.968 20 30 EDEDLO C=C[C@](C)(CC)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619943909 450380927 /nfs/dbraw/zinc/38/09/27/450380927.db2.gz IYPPTXZGXFPPFE-WOJBJXKFSA-N 1 2 346.471 1.968 20 30 EDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000619368356 450463785 /nfs/dbraw/zinc/46/37/85/450463785.db2.gz DMYHSZRJAXTWOZ-MRXNPFEDSA-N 1 2 332.363 1.925 20 30 EDEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000625699947 450481863 /nfs/dbraw/zinc/48/18/63/450481863.db2.gz IPLNCENFKWPMRX-HZPDHXFCSA-N 1 2 342.505 1.700 20 30 EDEDLO C=CC[C@@H]1CC[N@H+](CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000625699947 450481865 /nfs/dbraw/zinc/48/18/65/450481865.db2.gz IPLNCENFKWPMRX-HZPDHXFCSA-N 1 2 342.505 1.700 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000619510044 450496137 /nfs/dbraw/zinc/49/61/37/450496137.db2.gz FQHXVQFSLHUZRH-INIZCTEOSA-N 1 2 336.395 1.915 20 30 EDEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000631533707 450640042 /nfs/dbraw/zinc/64/00/42/450640042.db2.gz FSUMCGCRRIWNNE-UHFFFAOYSA-N 1 2 335.411 1.916 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629435907 450679352 /nfs/dbraw/zinc/67/93/52/450679352.db2.gz PRSGHALSGWLBKT-IEBWSBKVSA-N 1 2 347.459 1.627 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629435907 450679355 /nfs/dbraw/zinc/67/93/55/450679355.db2.gz PRSGHALSGWLBKT-IEBWSBKVSA-N 1 2 347.459 1.627 20 30 EDEDLO C=CCC1(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CCCC1 ZINC000628577133 451316736 /nfs/dbraw/zinc/31/67/36/451316736.db2.gz RZPQXHSHHWMYEL-LJQANCHMSA-N 1 2 336.476 1.855 20 30 EDEDLO C=CCC1(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CCCC1 ZINC000628577133 451316743 /nfs/dbraw/zinc/31/67/43/451316743.db2.gz RZPQXHSHHWMYEL-LJQANCHMSA-N 1 2 336.476 1.855 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H]2CCCc3ccccc32)nn1 ZINC000640788861 451581820 /nfs/dbraw/zinc/58/18/20/451581820.db2.gz ZEPMMWSKJAVJRU-GOSISDBHSA-N 1 2 337.427 1.585 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(-c3cnn(C)c3C)no2)nn1 ZINC000641146520 451761458 /nfs/dbraw/zinc/76/14/58/451761458.db2.gz AHUSUAQBEDWUMT-UHFFFAOYSA-N 1 2 325.376 1.136 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000644844063 452024661 /nfs/dbraw/zinc/02/46/61/452024661.db2.gz IGQAYTJMQKZKLO-XHSDSOJGSA-N 1 2 346.431 1.144 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000645211528 452212926 /nfs/dbraw/zinc/21/29/26/452212926.db2.gz LJDUAMQPTNWBPD-AWEZNQCLSA-N 1 2 330.363 1.585 20 30 EDEDLO C=CCCn1cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)nn1 ZINC000657498254 452279639 /nfs/dbraw/zinc/27/96/39/452279639.db2.gz PAPDFYQBXYSZCC-CQSZACIVSA-N 1 2 348.428 1.179 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651329119 453473342 /nfs/dbraw/zinc/47/33/42/453473342.db2.gz PQFGNNJXNXVIES-CVEARBPZSA-N 1 2 328.416 1.940 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000665181835 453602974 /nfs/dbraw/zinc/60/29/74/453602974.db2.gz AFOASQDHWMSXNB-IRXDYDNUSA-N 1 2 337.464 1.331 20 30 EDEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@@H](C)COC ZINC000661241852 453772088 /nfs/dbraw/zinc/77/20/88/453772088.db2.gz CSOJTRMLRUSOPC-AWEZNQCLSA-N 1 2 333.432 1.850 20 30 EDEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@@H](C)COC ZINC000661241852 453772092 /nfs/dbraw/zinc/77/20/92/453772092.db2.gz CSOJTRMLRUSOPC-AWEZNQCLSA-N 1 2 333.432 1.850 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000668106441 486163269 /nfs/dbraw/zinc/16/32/69/486163269.db2.gz BPFWJJPUWRPVMH-LLVKDONJSA-N 1 2 332.326 1.533 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@H](O)C2)cc1 ZINC000451226336 486173146 /nfs/dbraw/zinc/17/31/46/486173146.db2.gz LFKLQPOLYMMCQJ-MRXNPFEDSA-N 1 2 347.415 1.025 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@H](O)C2)cc1 ZINC000451226336 486173154 /nfs/dbraw/zinc/17/31/54/486173154.db2.gz LFKLQPOLYMMCQJ-MRXNPFEDSA-N 1 2 347.415 1.025 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000284329043 486241897 /nfs/dbraw/zinc/24/18/97/486241897.db2.gz MONVEXLKNSXEGN-OAHLLOKOSA-N 1 2 344.390 1.799 20 30 EDEDLO CC(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246525419 534486406 /nfs/dbraw/zinc/48/64/06/534486406.db2.gz ROZPISYIEBTKQN-HIFRSBDPSA-N 1 2 346.456 1.573 20 30 EDEDLO CC(=O)NC[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246525419 534486409 /nfs/dbraw/zinc/48/64/09/534486409.db2.gz ROZPISYIEBTKQN-HIFRSBDPSA-N 1 2 346.456 1.573 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(Br)cc3C#N)C[C@H]21 ZINC000347032168 536445293 /nfs/dbraw/zinc/44/52/93/536445293.db2.gz LKMSTNQCEDFVFE-CABCVRRESA-N 1 2 336.233 1.836 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(Br)cc3C#N)C[C@H]21 ZINC000347032168 536445294 /nfs/dbraw/zinc/44/52/94/536445294.db2.gz LKMSTNQCEDFVFE-CABCVRRESA-N 1 2 336.233 1.836 20 30 EDEDLO C=CCCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000102221800 527079062 /nfs/dbraw/zinc/07/90/62/527079062.db2.gz LQKIYRNPCJENTE-UHFFFAOYSA-N 1 2 337.445 1.527 20 30 EDEDLO C=CCN(C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000154125495 527564726 /nfs/dbraw/zinc/56/47/26/527564726.db2.gz CNJPVXWCUOYTJI-UHFFFAOYSA-N 1 2 333.432 1.725 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000128612725 528622310 /nfs/dbraw/zinc/62/23/10/528622310.db2.gz DKHUVVVHWFHYOT-HNNXBMFYSA-N 1 2 330.432 1.522 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000158396713 529362907 /nfs/dbraw/zinc/36/29/07/529362907.db2.gz IRIULMINIAFYLH-CQSZACIVSA-N 1 2 332.423 1.730 20 30 EDEDLO Cn1cc(N2CCC[C@@H](O[NH+]=C(N)c3ccc(F)cc3)C2=O)cn1 ZINC000742352950 579449495 /nfs/dbraw/zinc/44/94/95/579449495.db2.gz HOTSFXVMXKHMIS-CQSZACIVSA-N 1 2 331.351 1.392 20 30 EDEDLO C#CCCCNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000743692802 579488928 /nfs/dbraw/zinc/48/89/28/579488928.db2.gz BZULESPMHIOBES-UHFFFAOYSA-N 1 2 348.491 1.424 20 30 EDEDLO N#Cc1ccc(CN2C(=O)CN(C[N@@H+]3CCCOCC3)C2=O)cc1 ZINC000726589782 578350644 /nfs/dbraw/zinc/35/06/44/578350644.db2.gz OPIKNYMELAGTOJ-UHFFFAOYSA-N 1 2 328.372 1.002 20 30 EDEDLO N#Cc1ccc(CN2C(=O)CN(C[N@H+]3CCCOCC3)C2=O)cc1 ZINC000726589782 578350646 /nfs/dbraw/zinc/35/06/46/578350646.db2.gz OPIKNYMELAGTOJ-UHFFFAOYSA-N 1 2 328.372 1.002 20 30 EDEDLO Cn1cc[nH+]c1CN=Nc1ccc(S(=O)(=O)NC2CCCC2)cn1 ZINC000727255361 578523755 /nfs/dbraw/zinc/52/37/55/578523755.db2.gz IUGQHWOYPHNINY-UHFFFAOYSA-N 1 2 348.432 1.482 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000729626624 578585709 /nfs/dbraw/zinc/58/57/09/578585709.db2.gz DYMBGKMKSVVKTQ-CYBMUJFWSA-N 1 2 339.461 1.074 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000730283033 578639509 /nfs/dbraw/zinc/63/95/09/578639509.db2.gz NFULWCHZBPYHEB-SJORKVTESA-N 1 2 325.412 1.001 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000730283033 578639511 /nfs/dbraw/zinc/63/95/11/578639511.db2.gz NFULWCHZBPYHEB-SJORKVTESA-N 1 2 325.412 1.001 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000730284549 578639656 /nfs/dbraw/zinc/63/96/56/578639656.db2.gz NXCAFLROPUFERQ-KRWDZBQOSA-N 1 2 331.391 1.698 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000730284549 578639657 /nfs/dbraw/zinc/63/96/57/578639657.db2.gz NXCAFLROPUFERQ-KRWDZBQOSA-N 1 2 331.391 1.698 20 30 EDEDLO N#CCN1CCC(NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000730671066 578654936 /nfs/dbraw/zinc/65/49/36/578654936.db2.gz HMQGUXWTCZPRDJ-UHFFFAOYSA-N 1 2 339.403 1.054 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000731112044 578668206 /nfs/dbraw/zinc/66/82/06/578668206.db2.gz WSKSFWMANALMOW-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000731112044 578668207 /nfs/dbraw/zinc/66/82/07/578668207.db2.gz WSKSFWMANALMOW-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO CCc1nc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000731445322 578675031 /nfs/dbraw/zinc/67/50/31/578675031.db2.gz JBCWOPDJTOJVRY-UHFFFAOYSA-N 1 2 345.403 1.301 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1 ZINC000733161735 578746252 /nfs/dbraw/zinc/74/62/52/578746252.db2.gz YBJOXXUKHZHALO-SJORKVTESA-N 1 2 331.460 1.193 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000734435876 578814042 /nfs/dbraw/zinc/81/40/42/578814042.db2.gz WLNJRRMWDSYCLB-SFHVURJKSA-N 1 2 336.395 1.445 20 30 EDEDLO C=CCCC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735407912 578882699 /nfs/dbraw/zinc/88/26/99/578882699.db2.gz AVRXTEYREZCXDZ-UHFFFAOYSA-N 1 2 326.404 1.477 20 30 EDEDLO C#CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000761192688 580050919 /nfs/dbraw/zinc/05/09/19/580050919.db2.gz YXTOWAWBTLPYTB-CYBMUJFWSA-N 1 2 343.832 1.677 20 30 EDEDLO C#CC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000761192688 580050920 /nfs/dbraw/zinc/05/09/20/580050920.db2.gz YXTOWAWBTLPYTB-CYBMUJFWSA-N 1 2 343.832 1.677 20 30 EDEDLO COc1ccc2c(c1)C(=NNC(=S)NCC[NH+]1CCOCC1)CC2 ZINC000747627287 579651345 /nfs/dbraw/zinc/65/13/45/579651345.db2.gz FNVMJRNHBYJQDP-UHFFFAOYSA-N 1 2 348.472 1.142 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1coc2ccccc12 ZINC000747739754 579656717 /nfs/dbraw/zinc/65/67/17/579656717.db2.gz ANCUDZBHHGMBRU-UHFFFAOYSA-N 1 2 346.456 1.953 20 30 EDEDLO C=CCCO[C@H](C)C(=O)OCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000747759435 579657332 /nfs/dbraw/zinc/65/73/32/579657332.db2.gz KELOPHZIPCANIO-OAHLLOKOSA-N 1 2 338.448 1.455 20 30 EDEDLO N#CCn1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cn1 ZINC000751751765 579820305 /nfs/dbraw/zinc/82/03/05/579820305.db2.gz LSIYMAHHGVKKCS-KRWDZBQOSA-N 1 2 339.399 1.543 20 30 EDEDLO C[C@@H]1COCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000754384840 579902354 /nfs/dbraw/zinc/90/23/54/579902354.db2.gz LHEKQYQFTBKRGY-JSGCOSHPSA-N 1 2 340.383 1.480 20 30 EDEDLO C[C@@H]1COCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000754384840 579902355 /nfs/dbraw/zinc/90/23/55/579902355.db2.gz LHEKQYQFTBKRGY-JSGCOSHPSA-N 1 2 340.383 1.480 20 30 EDEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccncc1Cl ZINC000755766720 579934489 /nfs/dbraw/zinc/93/44/89/579934489.db2.gz PQOBRXNWESPENB-UHFFFAOYSA-N 1 2 334.811 1.481 20 30 EDEDLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000757807654 579971616 /nfs/dbraw/zinc/97/16/16/579971616.db2.gz KIWBNRIEDZAUCH-TZMCWYRMSA-N 1 2 345.403 1.693 20 30 EDEDLO c1cn(-c2ccc(N=NCc3cn(Cc4cccnc4)nn3)nn2)c[nH+]1 ZINC000761855557 580062553 /nfs/dbraw/zinc/06/25/53/580062553.db2.gz QBVSITXCYKVYGE-UHFFFAOYSA-N 1 2 346.358 1.143 20 30 EDEDLO C(=[NH+]Nc1ccc(-n2ccnc2)nn1)c1ccccc1N1CCOCC1 ZINC000761855487 580062593 /nfs/dbraw/zinc/06/25/93/580062593.db2.gz ONRJVCGVNCFZPU-UHFFFAOYSA-N 1 2 349.398 1.945 20 30 EDEDLO CCC1(CC)C(=NNC(=S)NCC[NH+]2CCOCC2)C[C@H]1OC ZINC000762605366 580078761 /nfs/dbraw/zinc/07/87/61/580078761.db2.gz UYHGTCZKIVOWQM-CQSZACIVSA-N 1 2 342.509 1.364 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@]2(CO)CCOC2)cc1C ZINC000763892336 580107946 /nfs/dbraw/zinc/10/79/46/580107946.db2.gz YVIQTWOILCKQOS-LJQANCHMSA-N 1 2 345.443 1.633 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@]2(CO)CCOC2)cc1C ZINC000763892336 580107947 /nfs/dbraw/zinc/10/79/47/580107947.db2.gz YVIQTWOILCKQOS-LJQANCHMSA-N 1 2 345.443 1.633 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(Cl)nc(C3CC3)n2)CC1 ZINC000767193694 580183528 /nfs/dbraw/zinc/18/35/28/580183528.db2.gz OIQFFECMMQAVCZ-UHFFFAOYSA-N 1 2 335.839 1.432 20 30 EDEDLO C#C[C@H]([NH2+]Cc1csc(N(CCOC)C(C)=O)n1)[C@@H]1CCCO1 ZINC000775795671 580401065 /nfs/dbraw/zinc/40/10/65/580401065.db2.gz PEGGJXPHVLITEJ-GJZGRUSLSA-N 1 2 337.445 1.413 20 30 EDEDLO CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000780205065 580515951 /nfs/dbraw/zinc/51/59/51/580515951.db2.gz KKELSDFQDBIBAQ-UHFFFAOYSA-N 1 2 338.371 1.358 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000781342477 580547179 /nfs/dbraw/zinc/54/71/79/580547179.db2.gz BRVIMGNACJGYJR-GOSISDBHSA-N 1 2 343.427 1.963 20 30 EDEDLO COCCO[C@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000781962601 580561683 /nfs/dbraw/zinc/56/16/83/580561683.db2.gz AEAFSWXAXAGWAJ-AWEZNQCLSA-N 1 2 342.399 1.157 20 30 EDEDLO COCCO[C@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000781962601 580561684 /nfs/dbraw/zinc/56/16/84/580561684.db2.gz AEAFSWXAXAGWAJ-AWEZNQCLSA-N 1 2 342.399 1.157 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1ccc(NC(=O)CC#N)cc1 ZINC000782239336 580569603 /nfs/dbraw/zinc/56/96/03/580569603.db2.gz MZSOXBPIQRWVHN-CYBMUJFWSA-N 1 2 331.372 1.416 20 30 EDEDLO CNc1[nH+]c(C)ccc1C(=O)OCc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC000782873483 580587018 /nfs/dbraw/zinc/58/70/18/580587018.db2.gz YRWDKINBTPLGLG-UHFFFAOYSA-N 1 2 338.327 1.409 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)OCCCn2cc[nH+]c2)cc1 ZINC000783015920 580591692 /nfs/dbraw/zinc/59/16/92/580591692.db2.gz QSGXKXKXMYYALC-UHFFFAOYSA-N 1 2 347.396 1.303 20 30 EDEDLO CC(C)(C#N)CC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000785077049 580635149 /nfs/dbraw/zinc/63/51/49/580635149.db2.gz HMSGBDQSRHLDGJ-UHFFFAOYSA-N 1 2 349.456 1.875 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000785425083 580643643 /nfs/dbraw/zinc/64/36/43/580643643.db2.gz CFNGCDGKTACURV-SJORKVTESA-N 1 2 331.460 1.524 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000785425083 580643644 /nfs/dbraw/zinc/64/36/44/580643644.db2.gz CFNGCDGKTACURV-SJORKVTESA-N 1 2 331.460 1.524 20 30 EDEDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CC(=O)NCCC#N ZINC000792337242 580817838 /nfs/dbraw/zinc/81/78/38/580817838.db2.gz XFHYXOARVGWXNU-LJQANCHMSA-N 1 2 343.427 1.657 20 30 EDEDLO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)NCCC#N ZINC000792337242 580817839 /nfs/dbraw/zinc/81/78/39/580817839.db2.gz XFHYXOARVGWXNU-LJQANCHMSA-N 1 2 343.427 1.657 20 30 EDEDLO N#Cc1cc(NC(=O)CCc2c[nH+]c[nH]2)ccc1N1CCC(O)CC1 ZINC000793630825 580849313 /nfs/dbraw/zinc/84/93/13/580849313.db2.gz YCKVCKOXNGEBAG-UHFFFAOYSA-N 1 2 339.399 1.814 20 30 EDEDLO N#Cc1cc(NC(=O)CCc2c[nH]c[nH+]2)ccc1N1CCC(O)CC1 ZINC000793630825 580849314 /nfs/dbraw/zinc/84/93/14/580849314.db2.gz YCKVCKOXNGEBAG-UHFFFAOYSA-N 1 2 339.399 1.814 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000795052379 580911352 /nfs/dbraw/zinc/91/13/52/580911352.db2.gz YTQRKHGHPXJIQG-UHFFFAOYSA-N 1 2 341.337 1.144 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000796430767 580953740 /nfs/dbraw/zinc/95/37/40/580953740.db2.gz XAFIOAQVPWEGMX-CQSZACIVSA-N 1 2 326.318 1.516 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000798428218 580997121 /nfs/dbraw/zinc/99/71/21/580997121.db2.gz QFZRXZXJFHIIFB-IAGOWNOFSA-N 1 2 340.427 1.777 20 30 EDEDLO C[C@H]1C[N@H+](CCOC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCO1 ZINC000800196319 581047207 /nfs/dbraw/zinc/04/72/07/581047207.db2.gz DOTDGOIQBGSQCT-GUYCJALGSA-N 1 2 340.420 1.512 20 30 EDEDLO C[C@H]1C[N@@H+](CCOC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCO1 ZINC000800196319 581047208 /nfs/dbraw/zinc/04/72/08/581047208.db2.gz DOTDGOIQBGSQCT-GUYCJALGSA-N 1 2 340.420 1.512 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000801914878 581087817 /nfs/dbraw/zinc/08/78/17/581087817.db2.gz LWLYZUJSOAMBLG-AWEZNQCLSA-N 1 2 335.835 1.955 20 30 EDEDLO C=CCC1(O)CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000891986343 590727464 /nfs/dbraw/zinc/72/74/64/590727464.db2.gz INTZZOXWHVAQLD-UHFFFAOYSA-N 1 2 328.372 1.202 20 30 EDEDLO C[C@H](NC(=O)CCC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccccc1 ZINC000890886086 590833647 /nfs/dbraw/zinc/83/36/47/590833647.db2.gz IYHZOKJMILAEKU-KBXCAEBGSA-N 1 2 330.432 1.604 20 30 EDEDLO C=CCC1(C(=O)O[C@@H]2C[N@H+](C)[C@](C)(C(=O)OC)C2)CCOCC1 ZINC000893572929 590975032 /nfs/dbraw/zinc/97/50/32/590975032.db2.gz GTBICJHDKQOWMA-BBRMVZONSA-N 1 2 325.405 1.538 20 30 EDEDLO C=CCC1(C(=O)O[C@@H]2C[N@@H+](C)[C@](C)(C(=O)OC)C2)CCOCC1 ZINC000893572929 590975035 /nfs/dbraw/zinc/97/50/35/590975035.db2.gz GTBICJHDKQOWMA-BBRMVZONSA-N 1 2 325.405 1.538 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnn(CC2CCC2)c1 ZINC000891394638 591066521 /nfs/dbraw/zinc/06/65/21/591066521.db2.gz GYYWTSJXLJPLPN-UHFFFAOYSA-N 1 2 331.464 1.731 20 30 EDEDLO N#Cc1ccc([C@H]2CN(C(=O)NCCn3cc[nH+]c3)CCO2)cc1 ZINC000891556759 591123508 /nfs/dbraw/zinc/12/35/08/591123508.db2.gz ZRXYBIZJDGRYRD-MRXNPFEDSA-N 1 2 325.372 1.538 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000891605564 591146583 /nfs/dbraw/zinc/14/65/83/591146583.db2.gz GEUIKWLEOBHMOL-NSHDSACASA-N 1 2 339.317 1.256 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000891605564 591146586 /nfs/dbraw/zinc/14/65/86/591146586.db2.gz GEUIKWLEOBHMOL-NSHDSACASA-N 1 2 339.317 1.256 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2Cl)C1 ZINC000891608506 591148827 /nfs/dbraw/zinc/14/88/27/591148827.db2.gz YJOBFNPYFBRWNO-ZDUSSCGKSA-N 1 2 333.819 1.801 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2Cl)C1 ZINC000891608506 591148830 /nfs/dbraw/zinc/14/88/30/591148830.db2.gz YJOBFNPYFBRWNO-ZDUSSCGKSA-N 1 2 333.819 1.801 20 30 EDEDLO N#Cc1c(F)cccc1N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000891772556 591219396 /nfs/dbraw/zinc/21/93/96/591219396.db2.gz WRZHVANIXZQQNC-UHFFFAOYSA-N 1 2 339.378 1.669 20 30 EDEDLO N#Cc1c(F)cccc1N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000891772556 591219398 /nfs/dbraw/zinc/21/93/98/591219398.db2.gz WRZHVANIXZQQNC-UHFFFAOYSA-N 1 2 339.378 1.669 20 30 EDEDLO N#Cc1cc(Br)cnc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000895959748 591313291 /nfs/dbraw/zinc/31/32/91/591313291.db2.gz FBXYSAUWGLAYFT-UHFFFAOYSA-N 1 2 347.220 1.761 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000898503693 591389654 /nfs/dbraw/zinc/38/96/54/591389654.db2.gz XSBWUEBZJYUMEO-DLBZAZTESA-N 1 2 328.391 1.791 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1 ZINC000898503693 591389657 /nfs/dbraw/zinc/38/96/57/591389657.db2.gz XSBWUEBZJYUMEO-DLBZAZTESA-N 1 2 328.391 1.791 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cncs2)CC1 ZINC000894850560 591443166 /nfs/dbraw/zinc/44/31/66/591443166.db2.gz IHBGBNKDBDWMKG-UHFFFAOYSA-N 1 2 330.373 1.640 20 30 EDEDLO Cn1c[nH+]c(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000898631182 591454563 /nfs/dbraw/zinc/45/45/63/591454563.db2.gz IJNOZGSWXZITKE-UHFFFAOYSA-N 1 2 342.378 1.463 20 30 EDEDLO N#CCC(=O)N1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000895065654 591559542 /nfs/dbraw/zinc/55/95/42/591559542.db2.gz GCLDYAWRMIXLFV-UHFFFAOYSA-N 1 2 338.205 1.713 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1[nH]c2ccccc2c1C#N ZINC000897734669 591655281 /nfs/dbraw/zinc/65/52/81/591655281.db2.gz IFRVVTNSXYQLAP-UONOGXRCSA-N 1 2 338.411 1.975 20 30 EDEDLO Cn1c[nH+]c(CCNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000895291117 591702669 /nfs/dbraw/zinc/70/26/69/591702669.db2.gz GYQAKPOLZWNKIS-QGZVFWFLSA-N 1 2 339.399 1.617 20 30 EDEDLO N#Cc1sccc1N1CC[NH+](Cc2cnc3n2CCOC3)CC1 ZINC000895318617 591711202 /nfs/dbraw/zinc/71/12/02/591711202.db2.gz AJLBHSBHIJXAME-UHFFFAOYSA-N 1 2 329.429 1.669 20 30 EDEDLO C[C@H]1CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)N1CC#N ZINC000898132997 591794666 /nfs/dbraw/zinc/79/46/66/591794666.db2.gz RJPGHMLMVLJPOE-HOTGVXAUSA-N 1 2 337.427 1.860 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cn1 ZINC000728805352 591829863 /nfs/dbraw/zinc/82/98/63/591829863.db2.gz LUXUUOAVZBBVNY-UHFFFAOYSA-N 1 2 335.407 1.900 20 30 EDEDLO CCC/C=C\[C@H](O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000899967469 591848587 /nfs/dbraw/zinc/84/85/87/591848587.db2.gz MASFMIZNASBPLB-XDXAGZTOSA-N 1 2 327.428 1.920 20 30 EDEDLO NC(=NOC[C@H]1C[C@]12CCOC2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902227084 591949569 /nfs/dbraw/zinc/94/95/69/591949569.db2.gz VJRZQFBKQKSMQG-MJGOQNOKSA-N 1 2 345.443 1.582 20 30 EDEDLO COC(=O)c1cnc([C@@H]2CC[N@H+](Cn3cccc(C#N)c3=O)C2)s1 ZINC000902437990 591995740 /nfs/dbraw/zinc/99/57/40/591995740.db2.gz LNSSAUYCRVEPIO-GFCCVEGCSA-N 1 2 344.396 1.410 20 30 EDEDLO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cn3cccc(C#N)c3=O)C2)s1 ZINC000902437990 591995742 /nfs/dbraw/zinc/99/57/42/591995742.db2.gz LNSSAUYCRVEPIO-GFCCVEGCSA-N 1 2 344.396 1.410 20 30 EDEDLO C[C@@H](C#N)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000900399977 592008015 /nfs/dbraw/zinc/00/80/15/592008015.db2.gz JNCNZQJLKCQJHG-LBPRGKRZSA-N 1 2 336.823 1.726 20 30 EDEDLO CO[C@H]1CC[N@H+](Cc2nc(C(=O)NCC3CCC(C#N)CC3)co2)C1 ZINC000907993549 592253673 /nfs/dbraw/zinc/25/36/73/592253673.db2.gz PXHDOEGEYYYAFE-NRXISQOPSA-N 1 2 346.431 1.955 20 30 EDEDLO CO[C@H]1CC[N@@H+](Cc2nc(C(=O)NCC3CCC(C#N)CC3)co2)C1 ZINC000907993549 592253677 /nfs/dbraw/zinc/25/36/77/592253677.db2.gz PXHDOEGEYYYAFE-NRXISQOPSA-N 1 2 346.431 1.955 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000907027272 592485274 /nfs/dbraw/zinc/48/52/74/592485274.db2.gz SGRLBDOKFHDKHB-RHSMWYFYSA-N 1 2 334.441 1.009 20 30 EDEDLO N#Cc1ccccc1C(F)(F)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000908535875 592528373 /nfs/dbraw/zinc/52/83/73/592528373.db2.gz ZYOJEEYDKGEZGA-HNNXBMFYSA-N 1 2 349.381 1.973 20 30 EDEDLO C#CC[C@H](NC(=O)c1ccc(NCc2[nH+]ccn2C)cc1)C(=O)OC ZINC000909888757 592708105 /nfs/dbraw/zinc/70/81/05/592708105.db2.gz FBUFFYSSCQUNRH-HNNXBMFYSA-N 1 2 340.383 1.327 20 30 EDEDLO CCC[N@H+](Cc1cn(Cc2ncon2)nn1)Cc1ccc(C#N)cc1 ZINC000906254363 592765178 /nfs/dbraw/zinc/76/51/78/592765178.db2.gz NNFNYJKMFWRIIV-UHFFFAOYSA-N 1 2 337.387 1.993 20 30 EDEDLO CCC[N@@H+](Cc1cn(Cc2ncon2)nn1)Cc1ccc(C#N)cc1 ZINC000906254363 592765181 /nfs/dbraw/zinc/76/51/81/592765181.db2.gz NNFNYJKMFWRIIV-UHFFFAOYSA-N 1 2 337.387 1.993 20 30 EDEDLO CO[C@H]1CC[N@H+](Cc2nc(C(=O)NC3(C#N)CCCCC3)co2)C1 ZINC000906479577 592835596 /nfs/dbraw/zinc/83/55/96/592835596.db2.gz OULVTNRYTVNGDK-ZDUSSCGKSA-N 1 2 332.404 1.852 20 30 EDEDLO CO[C@H]1CC[N@@H+](Cc2nc(C(=O)NC3(C#N)CCCCC3)co2)C1 ZINC000906479577 592835598 /nfs/dbraw/zinc/83/55/98/592835598.db2.gz OULVTNRYTVNGDK-ZDUSSCGKSA-N 1 2 332.404 1.852 20 30 EDEDLO CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)CC1 ZINC000906602847 592862452 /nfs/dbraw/zinc/86/24/52/592862452.db2.gz TXARDDHTEVSYEC-BXNZUYAZSA-N 1 2 349.475 1.248 20 30 EDEDLO C=CCNc1ncc(C(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)s1 ZINC000912223626 593077557 /nfs/dbraw/zinc/07/75/57/593077557.db2.gz RKSIXKKYSRMFLD-GFCCVEGCSA-N 1 2 349.460 1.964 20 30 EDEDLO C#CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)C1CSC1 ZINC000912363076 593090242 /nfs/dbraw/zinc/09/02/42/593090242.db2.gz WTKBNSITUCLBEE-OAHLLOKOSA-N 1 2 348.472 1.060 20 30 EDEDLO C#CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)C1CSC1 ZINC000912363076 593090243 /nfs/dbraw/zinc/09/02/43/593090243.db2.gz WTKBNSITUCLBEE-OAHLLOKOSA-N 1 2 348.472 1.060 20 30 EDEDLO COC[C@H]1CC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000840083514 593143231 /nfs/dbraw/zinc/14/32/31/593143231.db2.gz MHYMGWCYFQDYND-OAHLLOKOSA-N 1 2 328.372 1.001 20 30 EDEDLO COC[C@H]1CC[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000840083514 593143234 /nfs/dbraw/zinc/14/32/34/593143234.db2.gz MHYMGWCYFQDYND-OAHLLOKOSA-N 1 2 328.372 1.001 20 30 EDEDLO C#Cc1cc(F)c(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c(F)c1 ZINC000802561984 593263238 /nfs/dbraw/zinc/26/32/38/593263238.db2.gz BYGCOTKEUUGPNG-UHFFFAOYSA-N 1 2 346.337 1.630 20 30 EDEDLO C#CCCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000804942839 593320749 /nfs/dbraw/zinc/32/07/49/593320749.db2.gz XTWGOXLQICBPTD-HNNXBMFYSA-N 1 2 335.404 1.981 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000803667930 593352422 /nfs/dbraw/zinc/35/24/22/593352422.db2.gz YPUYKBHCBNJJFE-UHFFFAOYSA-N 1 2 335.404 1.032 20 30 EDEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)C1 ZINC000810536338 593410583 /nfs/dbraw/zinc/41/05/83/593410583.db2.gz QGXYWLGALBDOSK-PXAZEXFGSA-N 1 2 332.379 1.941 20 30 EDEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)C1 ZINC000810536338 593410584 /nfs/dbraw/zinc/41/05/84/593410584.db2.gz QGXYWLGALBDOSK-PXAZEXFGSA-N 1 2 332.379 1.941 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000805470162 593455523 /nfs/dbraw/zinc/45/55/23/593455523.db2.gz VBPLUNCOTJNMIE-MRXNPFEDSA-N 1 2 345.399 1.197 20 30 EDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000805470162 593455524 /nfs/dbraw/zinc/45/55/24/593455524.db2.gz VBPLUNCOTJNMIE-MRXNPFEDSA-N 1 2 345.399 1.197 20 30 EDEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000805476844 593457792 /nfs/dbraw/zinc/45/77/92/593457792.db2.gz AYGAAIMQCNCMLN-GJZGRUSLSA-N 1 2 332.356 1.036 20 30 EDEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000805476844 593457793 /nfs/dbraw/zinc/45/77/93/593457793.db2.gz AYGAAIMQCNCMLN-GJZGRUSLSA-N 1 2 332.356 1.036 20 30 EDEDLO CC[N@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCOC1 ZINC000812298516 593495337 /nfs/dbraw/zinc/49/53/37/593495337.db2.gz OQEWZIKLMVNFAR-YJBOKZPZSA-N 1 2 342.399 1.394 20 30 EDEDLO CC[N@@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCOC1 ZINC000812298516 593495338 /nfs/dbraw/zinc/49/53/38/593495338.db2.gz OQEWZIKLMVNFAR-YJBOKZPZSA-N 1 2 342.399 1.394 20 30 EDEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N)nc1 ZINC000814935905 593607591 /nfs/dbraw/zinc/60/75/91/593607591.db2.gz ZERRLZSNHADFSJ-UHFFFAOYSA-N 1 2 333.417 1.750 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000820596277 593840686 /nfs/dbraw/zinc/84/06/86/593840686.db2.gz XBENXJQWBWBGAI-QGZVFWFLSA-N 1 2 335.411 1.991 20 30 EDEDLO C#CCCCOc1cccnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000820609066 593843936 /nfs/dbraw/zinc/84/39/36/593843936.db2.gz CPFZXDBAHSWJSO-UHFFFAOYSA-N 1 2 342.443 1.274 20 30 EDEDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(C#N)cc2OC)CC1 ZINC000822047620 593988180 /nfs/dbraw/zinc/98/81/80/593988180.db2.gz ZBEGEVDYZFRFGV-UHFFFAOYSA-N 1 2 344.459 1.713 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000821331220 594019643 /nfs/dbraw/zinc/01/96/43/594019643.db2.gz KUQNRLAZZIMOPS-HNNXBMFYSA-N 1 2 347.390 1.776 20 30 EDEDLO C=CC1(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)CN(C(=O)OC(C)(C)C)C1 ZINC000821385069 594033952 /nfs/dbraw/zinc/03/39/52/594033952.db2.gz FSCMIMJNLHPIMC-ZDUSSCGKSA-N 1 2 346.431 1.737 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000824861538 594085915 /nfs/dbraw/zinc/08/59/15/594085915.db2.gz MVZRWQQSUPEFHY-UHFFFAOYSA-N 1 2 346.383 1.745 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C1CCOCC1 ZINC000823177601 594165254 /nfs/dbraw/zinc/16/52/54/594165254.db2.gz HNEWKTDKFJZNDG-HYVNUMGLSA-N 1 2 330.432 1.904 20 30 EDEDLO C#CC1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000825567181 594201398 /nfs/dbraw/zinc/20/13/98/594201398.db2.gz VIFBICRCPMWEOS-LJQANCHMSA-N 1 2 341.455 1.942 20 30 EDEDLO C#CC1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000825567181 594201400 /nfs/dbraw/zinc/20/14/00/594201400.db2.gz VIFBICRCPMWEOS-LJQANCHMSA-N 1 2 341.455 1.942 20 30 EDEDLO C#Cc1cnc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)nc1 ZINC000827557180 594232180 /nfs/dbraw/zinc/23/21/80/594232180.db2.gz JLTUOXVGAZUOTI-AWEZNQCLSA-N 1 2 327.432 1.027 20 30 EDEDLO C#Cc1cnc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)nc1 ZINC000827557813 594232559 /nfs/dbraw/zinc/23/25/59/594232559.db2.gz PTVWOUVODDEJJM-UHFFFAOYSA-N 1 2 327.432 1.029 20 30 EDEDLO C#Cc1cnc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)nc1 ZINC000827623520 594246441 /nfs/dbraw/zinc/24/64/41/594246441.db2.gz JSERFJXHBGUGEC-UHFFFAOYSA-N 1 2 341.459 1.594 20 30 EDEDLO CC(=O)NCC[N@@H+](C)CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000830135381 594342746 /nfs/dbraw/zinc/34/27/46/594342746.db2.gz BSRDRIYNSUSDCX-PDGQHHTCSA-N 1 2 329.444 1.935 20 30 EDEDLO CC(=O)NCC[N@H+](C)CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000830135381 594342748 /nfs/dbraw/zinc/34/27/48/594342748.db2.gz BSRDRIYNSUSDCX-PDGQHHTCSA-N 1 2 329.444 1.935 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCO[C@H]3C)n2CC2CC2)CC1 ZINC000831313266 594605669 /nfs/dbraw/zinc/60/56/69/594605669.db2.gz IPYGKQRPIPJNMC-HOCLYGCPSA-N 1 2 329.448 1.336 20 30 EDEDLO C#Cc1cccc(CNc2nc(NCCO)[nH+]c(NC(C)C)n2)c1 ZINC000829464308 594619595 /nfs/dbraw/zinc/61/95/95/594619595.db2.gz ZFXBIKMRRKZIMU-UHFFFAOYSA-N 1 2 326.404 1.690 20 30 EDEDLO C#Cc1cccc(CNc2nc(NC(C)C)nc(NCCO)[nH+]2)c1 ZINC000829464308 594619596 /nfs/dbraw/zinc/61/95/96/594619596.db2.gz ZFXBIKMRRKZIMU-UHFFFAOYSA-N 1 2 326.404 1.690 20 30 EDEDLO C#Cc1cccc(CNc2nc(NCCO)nc(NC(C)C)[nH+]2)c1 ZINC000829464308 594619598 /nfs/dbraw/zinc/61/95/98/594619598.db2.gz ZFXBIKMRRKZIMU-UHFFFAOYSA-N 1 2 326.404 1.690 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000827412457 594669528 /nfs/dbraw/zinc/66/95/28/594669528.db2.gz XTSABYHQELXFKC-ZDUSSCGKSA-N 1 2 341.390 1.948 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000827412457 594669529 /nfs/dbraw/zinc/66/95/29/594669529.db2.gz XTSABYHQELXFKC-ZDUSSCGKSA-N 1 2 341.390 1.948 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000831691684 594693059 /nfs/dbraw/zinc/69/30/59/594693059.db2.gz TVNKMDHZXBWJIT-ZDUSSCGKSA-N 1 2 333.432 1.555 20 30 EDEDLO NC(C[NH+]1CCSCC1)=NO[C@H]1CCCN(c2ccccc2)C1=O ZINC000121491203 594838241 /nfs/dbraw/zinc/83/82/41/594838241.db2.gz NMGXHDSBIKMAQA-HNNXBMFYSA-N 1 2 348.472 1.520 20 30 EDEDLO CCCC(=NNC(=S)NCC[NH+]1CCOCC1)[C@@H]1CC1(C)C ZINC000841607332 594928671 /nfs/dbraw/zinc/92/86/71/594928671.db2.gz RQNVOLBORVHPQI-ZDUSSCGKSA-N 1 2 326.510 1.985 20 30 EDEDLO CCn1c[nH+]cc1C=NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O ZINC000841612596 594928965 /nfs/dbraw/zinc/92/89/65/594928965.db2.gz MHYAAYCVIMLSBQ-KRWDZBQOSA-N 1 2 341.371 1.713 20 30 EDEDLO Cc1ccc(NC(=O)CON=C(N)C[NH+]2CCSCC2)cc1F ZINC000121452124 594984398 /nfs/dbraw/zinc/98/43/98/594984398.db2.gz LROVHUQPNBXEIA-UHFFFAOYSA-N 1 2 340.424 1.410 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)nc(C)n2[C@@H](C)CO ZINC000837052210 595028276 /nfs/dbraw/zinc/02/82/76/595028276.db2.gz BDLXIFXTXWZNAM-UGSOOPFHSA-N 1 2 340.427 1.934 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)nc(C)n2[C@@H](C)CO ZINC000837052210 595028279 /nfs/dbraw/zinc/02/82/79/595028279.db2.gz BDLXIFXTXWZNAM-UGSOOPFHSA-N 1 2 340.427 1.934 20 30 EDEDLO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Br)cc(Cl)c1O ZINC000834488185 595139751 /nfs/dbraw/zinc/13/97/51/595139751.db2.gz ACSJBQNEWDPZPW-WKEGUHRASA-N 1 2 344.596 1.649 20 30 EDEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846332529 595208611 /nfs/dbraw/zinc/20/86/11/595208611.db2.gz ZOZLJYDJIXGEIE-QGZVFWFLSA-N 1 2 338.411 1.826 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000834785873 595211926 /nfs/dbraw/zinc/21/19/26/595211926.db2.gz JBTNXUUMAUHXQX-YJBOKZPZSA-N 1 2 339.439 1.551 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000834785873 595211930 /nfs/dbraw/zinc/21/19/30/595211930.db2.gz JBTNXUUMAUHXQX-YJBOKZPZSA-N 1 2 339.439 1.551 20 30 EDEDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1ncc(C#N)cc1C ZINC000842964217 595245569 /nfs/dbraw/zinc/24/55/69/595245569.db2.gz AHUTVUYXQGDWAW-DZGCQCFKSA-N 1 2 333.388 1.154 20 30 EDEDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1ncc(C#N)cc1C ZINC000842964217 595245571 /nfs/dbraw/zinc/24/55/71/595245571.db2.gz AHUTVUYXQGDWAW-DZGCQCFKSA-N 1 2 333.388 1.154 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc3n2c2ccccc2c(=O)n3CC)C1 ZINC000847032410 595353990 /nfs/dbraw/zinc/35/39/90/595353990.db2.gz SRTKVRHBLBSSQP-AWEZNQCLSA-N 1 2 335.411 1.909 20 30 EDEDLO C#C[C@H]1CCC[N@H+](Cc2nnc3n2c2ccccc2c(=O)n3CC)C1 ZINC000847032410 595353993 /nfs/dbraw/zinc/35/39/93/595353993.db2.gz SRTKVRHBLBSSQP-AWEZNQCLSA-N 1 2 335.411 1.909 20 30 EDEDLO Cc1sc(Br)nc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844528397 595355339 /nfs/dbraw/zinc/35/53/39/595355339.db2.gz VNWPNLSNZFNHNU-NSHDSACASA-N 1 2 331.239 1.788 20 30 EDEDLO N#Cc1ccc(CO[NH+]=C(N)COC[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000844764071 595392016 /nfs/dbraw/zinc/39/20/16/595392016.db2.gz GCGLQXVDCXKYRA-GFCCVEGCSA-N 1 2 334.332 1.518 20 30 EDEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000845204174 595461070 /nfs/dbraw/zinc/46/10/70/595461070.db2.gz ASELXLIJQOPTNG-WMLDXEAASA-N 1 2 339.399 1.514 20 30 EDEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000845204174 595461071 /nfs/dbraw/zinc/46/10/71/595461071.db2.gz ASELXLIJQOPTNG-WMLDXEAASA-N 1 2 339.399 1.514 20 30 EDEDLO C[C@@H](CC(=O)OCc1cc(=O)n2ncc(C#N)c2[nH]1)n1cc[nH+]c1 ZINC000845279580 595473855 /nfs/dbraw/zinc/47/38/55/595473855.db2.gz CPPWWXJFEOEUAQ-JTQLQIEISA-N 1 2 326.316 1.198 20 30 EDEDLO COC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000852767327 595534214 /nfs/dbraw/zinc/53/42/14/595534214.db2.gz CDQMUODZROWMIR-GFCCVEGCSA-N 1 2 330.388 1.706 20 30 EDEDLO COC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000852770008 595536018 /nfs/dbraw/zinc/53/60/18/595536018.db2.gz ALCRDMGXWDDTAQ-LBPRGKRZSA-N 1 2 330.388 1.706 20 30 EDEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000857942881 595660846 /nfs/dbraw/zinc/66/08/46/595660846.db2.gz BEPOCPOTQXSFDD-YVEFUNNKSA-N 1 2 332.404 1.576 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000855329469 595673219 /nfs/dbraw/zinc/67/32/19/595673219.db2.gz GNCGNBIFWGFHGK-UXHICEINSA-N 1 2 347.418 1.788 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000855329469 595673221 /nfs/dbraw/zinc/67/32/21/595673221.db2.gz GNCGNBIFWGFHGK-UXHICEINSA-N 1 2 347.418 1.788 20 30 EDEDLO C=CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@H](C)COC ZINC000853333506 595737653 /nfs/dbraw/zinc/73/76/53/595737653.db2.gz GLCNSZMPNKMIDK-CQSZACIVSA-N 1 2 329.404 2.000 20 30 EDEDLO C[N@H+](Cn1cccc(C#N)c1=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000853519175 595780959 /nfs/dbraw/zinc/78/09/59/595780959.db2.gz BGWMHHUTKPLXDQ-UHFFFAOYSA-N 1 2 334.420 1.913 20 30 EDEDLO C[N@@H+](Cn1cccc(C#N)c1=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000853519175 595780960 /nfs/dbraw/zinc/78/09/60/595780960.db2.gz BGWMHHUTKPLXDQ-UHFFFAOYSA-N 1 2 334.420 1.913 20 30 EDEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000853526353 595785525 /nfs/dbraw/zinc/78/55/25/595785525.db2.gz PREHBBOSIZPFIE-OAHLLOKOSA-N 1 2 340.383 1.561 20 30 EDEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000853526353 595785529 /nfs/dbraw/zinc/78/55/29/595785529.db2.gz PREHBBOSIZPFIE-OAHLLOKOSA-N 1 2 340.383 1.561 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000860798883 595798872 /nfs/dbraw/zinc/79/88/72/595798872.db2.gz PSMYPTZXSWMFKC-HNNXBMFYSA-N 1 2 346.431 1.777 20 30 EDEDLO C#CCOCC[NH+]1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000851716888 595895124 /nfs/dbraw/zinc/89/51/24/595895124.db2.gz NTHBDRBMPSAPDV-UHFFFAOYSA-N 1 2 332.400 1.111 20 30 EDEDLO C#CC[C@@H](COC)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000858861491 595908571 /nfs/dbraw/zinc/90/85/71/595908571.db2.gz ZPPOJFGBUNBKFV-HNNXBMFYSA-N 1 2 333.388 1.877 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)c2ccco2)CC1 ZINC000859224693 596009924 /nfs/dbraw/zinc/00/99/24/596009924.db2.gz HEDDJXUUUUJOGI-HNNXBMFYSA-N 1 2 331.416 1.057 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)c2ccco2)CC1 ZINC000859224693 596009927 /nfs/dbraw/zinc/00/99/27/596009927.db2.gz HEDDJXUUUUJOGI-HNNXBMFYSA-N 1 2 331.416 1.057 20 30 EDEDLO N#CCc1ccc(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)cc1 ZINC000856611088 596034211 /nfs/dbraw/zinc/03/42/11/596034211.db2.gz CWJTVCVOWYUXIW-ZWKOTPCHSA-N 1 2 348.406 1.743 20 30 EDEDLO N#Cc1ccc(CNC(=O)NCc2ccc[nH+]c2N2CCCC2)nc1 ZINC000852340057 596130835 /nfs/dbraw/zinc/13/08/35/596130835.db2.gz UOKMQOPQAOXFIR-UHFFFAOYSA-N 1 2 336.399 1.948 20 30 EDEDLO N#CCCNC(=O)C[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000859578375 596137322 /nfs/dbraw/zinc/13/73/22/596137322.db2.gz QKMUIOADKOZBES-SFHVURJKSA-N 1 2 327.384 1.516 20 30 EDEDLO N#CCCNC(=O)C[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000859578375 596137324 /nfs/dbraw/zinc/13/73/24/596137324.db2.gz QKMUIOADKOZBES-SFHVURJKSA-N 1 2 327.384 1.516 20 30 EDEDLO COC(=O)N(C)CC[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000852569141 596199439 /nfs/dbraw/zinc/19/94/39/596199439.db2.gz FPSGUKZJYNWQQO-LBPRGKRZSA-N 1 2 336.417 1.355 20 30 EDEDLO COC(=O)N(C)CC[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000852569141 596199442 /nfs/dbraw/zinc/19/94/42/596199442.db2.gz FPSGUKZJYNWQQO-LBPRGKRZSA-N 1 2 336.417 1.355 20 30 EDEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)co1 ZINC000864614013 596283229 /nfs/dbraw/zinc/28/32/29/596283229.db2.gz NHLNJKHGLGNRSJ-QGZVFWFLSA-N 1 2 325.368 1.782 20 30 EDEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)co1 ZINC000864614013 596283230 /nfs/dbraw/zinc/28/32/30/596283230.db2.gz NHLNJKHGLGNRSJ-QGZVFWFLSA-N 1 2 325.368 1.782 20 30 EDEDLO C=CCN1CC(=O)N(C2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1=O ZINC000865324331 596539494 /nfs/dbraw/zinc/53/94/94/596539494.db2.gz VLWKZPSFDGCVTP-UHFFFAOYSA-N 1 2 337.420 1.243 20 30 EDEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000865872773 596707578 /nfs/dbraw/zinc/70/75/78/596707578.db2.gz UZGWPCOUYMCGQO-BBOMDTFKSA-N 1 2 343.427 1.872 20 30 EDEDLO C=CCCOCCCCC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870062429 596730197 /nfs/dbraw/zinc/73/01/97/596730197.db2.gz BHJFDGSVPYSNDI-KRWDZBQOSA-N 1 2 340.464 1.309 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000868436151 596836698 /nfs/dbraw/zinc/83/66/98/596836698.db2.gz JMVCFHGCTZXASZ-QZTJIDSGSA-N 1 2 347.422 1.999 20 30 EDEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCCCC#N)C2)cc1 ZINC000868491412 596859999 /nfs/dbraw/zinc/85/99/99/596859999.db2.gz FIFUFSKSUJYNIW-KRWDZBQOSA-N 1 2 330.432 1.799 20 30 EDEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCCCC#N)C2)cc1 ZINC000868491412 596860003 /nfs/dbraw/zinc/86/00/03/596860003.db2.gz FIFUFSKSUJYNIW-KRWDZBQOSA-N 1 2 330.432 1.799 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000874157912 596944730 /nfs/dbraw/zinc/94/47/30/596944730.db2.gz ISPYNKPYKRDIJM-GOSISDBHSA-N 1 2 348.406 1.994 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000874157912 596944732 /nfs/dbraw/zinc/94/47/32/596944732.db2.gz ISPYNKPYKRDIJM-GOSISDBHSA-N 1 2 348.406 1.994 20 30 EDEDLO N#CC1CC[NH+](CN2CC3(CC2=O)CCC2(CC3)OCCO2)CC1 ZINC000872573718 596971004 /nfs/dbraw/zinc/97/10/04/596971004.db2.gz KRPXDRPFUAAWKU-UHFFFAOYSA-N 1 2 333.432 1.715 20 30 EDEDLO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000872669409 597023796 /nfs/dbraw/zinc/02/37/96/597023796.db2.gz VMCQTIXGSJALRZ-GOSISDBHSA-N 1 2 347.415 1.358 20 30 EDEDLO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000872669409 597023798 /nfs/dbraw/zinc/02/37/98/597023798.db2.gz VMCQTIXGSJALRZ-GOSISDBHSA-N 1 2 347.415 1.358 20 30 EDEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000877077698 597427234 /nfs/dbraw/zinc/42/72/34/597427234.db2.gz RJBVHMROCVJGNL-AWEZNQCLSA-N 1 2 334.807 1.476 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584745 597644396 /nfs/dbraw/zinc/64/43/96/597644396.db2.gz IBVDAQCQGYCZQL-CQSZACIVSA-N 1 2 341.415 1.081 20 30 EDEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000879585495 597645070 /nfs/dbraw/zinc/64/50/70/597645070.db2.gz ZNUAHIHVWJTRPQ-IYBDPMFKSA-N 1 2 342.443 1.316 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000879610856 597657196 /nfs/dbraw/zinc/65/71/96/597657196.db2.gz ADPYBNOTOXKCOY-OIISXLGYSA-N 1 2 331.416 1.058 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000879610856 597657198 /nfs/dbraw/zinc/65/71/98/597657198.db2.gz ADPYBNOTOXKCOY-OIISXLGYSA-N 1 2 331.416 1.058 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879049596 597802017 /nfs/dbraw/zinc/80/20/17/597802017.db2.gz GLKKJDRQHAGSSN-IAQYHMDHSA-N 1 2 332.379 1.421 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC[C@H](C(F)(F)F)O1 ZINC000880059575 597826238 /nfs/dbraw/zinc/82/62/38/597826238.db2.gz JHLLXCGRZQVRPZ-QWHCGFSZSA-N 1 2 346.353 1.684 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC[C@H](C(F)(F)F)O1 ZINC000880059575 597826241 /nfs/dbraw/zinc/82/62/41/597826241.db2.gz JHLLXCGRZQVRPZ-QWHCGFSZSA-N 1 2 346.353 1.684 20 30 EDEDLO C#CC1(NC(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)CCCC1 ZINC000883652848 597848266 /nfs/dbraw/zinc/84/82/66/597848266.db2.gz FCGLFZHOYRRZFN-UHFFFAOYSA-N 1 2 349.475 1.502 20 30 EDEDLO CCOC(=O)c1sc([C@@H]2CC[N@H+](CC(=O)NCC#N)C2)nc1C ZINC000880322887 597901274 /nfs/dbraw/zinc/90/12/74/597901274.db2.gz PHUZFFKZIDUOIG-LLVKDONJSA-N 1 2 336.417 1.057 20 30 EDEDLO CCOC(=O)c1sc([C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)nc1C ZINC000880322887 597901277 /nfs/dbraw/zinc/90/12/77/597901277.db2.gz PHUZFFKZIDUOIG-LLVKDONJSA-N 1 2 336.417 1.057 20 30 EDEDLO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000880481056 597942124 /nfs/dbraw/zinc/94/21/24/597942124.db2.gz DPKOAGAXTZBZPI-ZDUSSCGKSA-N 1 2 329.400 1.945 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCOc1ccc(Cl)cc1 ZINC000884058644 597981702 /nfs/dbraw/zinc/98/17/02/597981702.db2.gz QHMVSPHGDHHIAV-ZDUSSCGKSA-N 1 2 326.780 1.282 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000884117857 597999037 /nfs/dbraw/zinc/99/90/37/597999037.db2.gz OAGNBFIPMZTCRV-ZBFHGGJFSA-N 1 2 332.400 1.458 20 30 EDEDLO C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000882616779 598003810 /nfs/dbraw/zinc/00/38/10/598003810.db2.gz PUFCJJCWHPFXSM-OAHLLOKOSA-N 1 2 333.457 1.999 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000884155143 598009828 /nfs/dbraw/zinc/00/98/28/598009828.db2.gz VWBOEGPLCCBNCP-VNQPRFMTSA-N 1 2 332.400 1.422 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1ccccc1)CC(F)F ZINC000884158642 598010802 /nfs/dbraw/zinc/01/08/02/598010802.db2.gz GYOFCHQJPAIXIX-ZDUSSCGKSA-N 1 2 326.343 1.727 20 30 EDEDLO Cc1cc(N)nc(SCCS(=O)(=O)c2cccc(C#N)c2)[nH+]1 ZINC000130575134 598116198 /nfs/dbraw/zinc/11/61/98/598116198.db2.gz KNWAVRCYIMWFMS-UHFFFAOYSA-N 1 2 334.426 1.805 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060464239 695247948 /nfs/dbraw/zinc/24/79/48/695247948.db2.gz SELJYIQKNIPIHD-CABCVRRESA-N 1 2 332.448 1.909 20 30 EDEDLO Cc1conc1C[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000993175464 695729536 /nfs/dbraw/zinc/72/95/36/695729536.db2.gz ZIQLWLGABKYWLO-GXTWGEPZSA-N 1 2 327.388 1.966 20 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696306669 /nfs/dbraw/zinc/30/66/69/696306669.db2.gz IQJGYCDUPMXXNT-WCQYABFASA-N 1 2 334.811 1.460 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H]1C ZINC000993682210 696306671 /nfs/dbraw/zinc/30/66/71/696306671.db2.gz IQJGYCDUPMXXNT-WCQYABFASA-N 1 2 334.811 1.460 20 30 EDEDLO Cc1cc(C#N)nc(NC2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001060624656 696441435 /nfs/dbraw/zinc/44/14/35/696441435.db2.gz DVQVVEGHTZFZML-UHFFFAOYSA-N 1 2 339.403 1.462 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000994196591 696574150 /nfs/dbraw/zinc/57/41/50/696574150.db2.gz FVQJCWQYFROIFZ-AWEZNQCLSA-N 1 2 341.415 1.463 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@@H]1C ZINC000994217689 696587067 /nfs/dbraw/zinc/58/70/67/696587067.db2.gz XIAKQEOHFMXZST-AAEUAGOBSA-N 1 2 349.822 1.770 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@@H]1C ZINC000994217689 696587069 /nfs/dbraw/zinc/58/70/69/696587069.db2.gz XIAKQEOHFMXZST-AAEUAGOBSA-N 1 2 349.822 1.770 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnc(C)cn3)[C@@H]2C)cn1 ZINC000994249975 696641855 /nfs/dbraw/zinc/64/18/55/696641855.db2.gz KCSLLCAXQKSFQR-BEFAXECRSA-N 1 2 349.438 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnc(C)cn3)[C@@H]2C)cn1 ZINC000994249975 696641856 /nfs/dbraw/zinc/64/18/56/696641856.db2.gz KCSLLCAXQKSFQR-BEFAXECRSA-N 1 2 349.438 1.944 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@@H]1C ZINC000994428351 696855545 /nfs/dbraw/zinc/85/55/45/696855545.db2.gz KZHGRKWNZIMCQE-STQMWFEESA-N 1 2 348.838 1.388 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2nc3ncccn3n2)[C@@H]1C ZINC000994428351 696855547 /nfs/dbraw/zinc/85/55/47/696855547.db2.gz KZHGRKWNZIMCQE-STQMWFEESA-N 1 2 348.838 1.388 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cccn2C)cc1C#N ZINC001038067709 696900419 /nfs/dbraw/zinc/90/04/19/696900419.db2.gz XQLZUTADZNYQBY-INIZCTEOSA-N 1 2 338.411 1.910 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cccn2C)cc1C#N ZINC001038067709 696900424 /nfs/dbraw/zinc/90/04/24/696900424.db2.gz XQLZUTADZNYQBY-INIZCTEOSA-N 1 2 338.411 1.910 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CCCN1CC#N ZINC000994499450 696942565 /nfs/dbraw/zinc/94/25/65/696942565.db2.gz PCPBOAXLAXFILS-HIFRSBDPSA-N 1 2 332.473 1.599 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)CCCN1CC#N ZINC000994499450 696942567 /nfs/dbraw/zinc/94/25/67/696942567.db2.gz PCPBOAXLAXFILS-HIFRSBDPSA-N 1 2 332.473 1.599 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)c1cn[nH]c1 ZINC001031559695 697248043 /nfs/dbraw/zinc/24/80/43/697248043.db2.gz VCFMRPJDJZLMAI-UHFFFAOYSA-N 1 2 328.803 1.776 20 30 EDEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000921414522 697598284 /nfs/dbraw/zinc/59/82/84/697598284.db2.gz OXPKZGAXRDSNLJ-NSHDSACASA-N 1 2 333.335 1.559 20 30 EDEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000921414522 697598286 /nfs/dbraw/zinc/59/82/86/697598286.db2.gz OXPKZGAXRDSNLJ-NSHDSACASA-N 1 2 333.335 1.559 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3ncccn3)C2)c1 ZINC001032064943 697725959 /nfs/dbraw/zinc/72/59/59/697725959.db2.gz MLPUUXCOWXCAPO-UHFFFAOYSA-N 1 2 325.347 1.349 20 30 EDEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060749845 697726805 /nfs/dbraw/zinc/72/68/05/697726805.db2.gz BTGWBYLFBONAOS-IHRRRGAJSA-N 1 2 331.420 1.293 20 30 EDEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060749845 697726806 /nfs/dbraw/zinc/72/68/06/697726806.db2.gz BTGWBYLFBONAOS-IHRRRGAJSA-N 1 2 331.420 1.293 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000943411172 698247684 /nfs/dbraw/zinc/24/76/84/698247684.db2.gz QXEKDAWOCLMBHT-CQSZACIVSA-N 1 2 332.448 1.970 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1n[nH]cc1F ZINC001031954973 701553910 /nfs/dbraw/zinc/55/39/10/701553910.db2.gz LVZUGGWJLKZZBH-UHFFFAOYSA-N 1 2 346.793 1.916 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H](OC)C3)CC2)C1 ZINC000941541335 701570826 /nfs/dbraw/zinc/57/08/26/701570826.db2.gz XUXSYCGDGUWNAR-SJLPKXTDSA-N 1 2 333.476 1.043 20 30 EDEDLO CO[C@H]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031793824 699276982 /nfs/dbraw/zinc/27/69/82/699276982.db2.gz OUQCYLSCVQPDHI-ROUUACIJSA-N 1 2 327.428 1.921 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CCN(C(=O)[C@H](C)C#N)C3)ccn12 ZINC000939397014 699546767 /nfs/dbraw/zinc/54/67/67/699546767.db2.gz MGZKIVPHYWUYEI-IUODEOHRSA-N 1 2 339.399 1.475 20 30 EDEDLO COc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)cn1 ZINC001031829544 699690982 /nfs/dbraw/zinc/69/09/82/699690982.db2.gz VSEJRLNNQIUSFA-UHFFFAOYSA-N 1 2 342.424 1.885 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000939616603 699767280 /nfs/dbraw/zinc/76/72/80/699767280.db2.gz QJSHXQGGQKVMAW-DYVFJYSZSA-N 1 2 338.411 1.539 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3CC(C)C)CC2)C1 ZINC000941682281 701626994 /nfs/dbraw/zinc/62/69/94/701626994.db2.gz LUEHQDQQZYEERL-UHFFFAOYSA-N 1 2 339.483 1.960 20 30 EDEDLO Cn1cnnc1C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940657524 700819485 /nfs/dbraw/zinc/81/94/85/700819485.db2.gz LFZZWYOIPJIBGY-AWEZNQCLSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1cnnc1C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940657524 700819488 /nfs/dbraw/zinc/81/94/88/700819488.db2.gz LFZZWYOIPJIBGY-AWEZNQCLSA-N 1 2 341.419 1.045 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001031912279 700935906 /nfs/dbraw/zinc/93/59/06/700935906.db2.gz JTOXDVASSBUQIZ-CQSZACIVSA-N 1 2 341.883 1.824 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)c1 ZINC000941015404 701055662 /nfs/dbraw/zinc/05/56/62/701055662.db2.gz OEAYQKOFKHKBGJ-QGZVFWFLSA-N 1 2 349.438 1.883 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)c1 ZINC000941015404 701055663 /nfs/dbraw/zinc/05/56/63/701055663.db2.gz OEAYQKOFKHKBGJ-QGZVFWFLSA-N 1 2 349.438 1.883 20 30 EDEDLO C=CCOc1ccc(C(=O)NC2CN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000995124008 701180678 /nfs/dbraw/zinc/18/06/78/701180678.db2.gz ITGVKNIMRQJEOF-UHFFFAOYSA-N 1 2 340.383 1.158 20 30 EDEDLO C[C@H]1C[C@@H]1C(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941292938 701451538 /nfs/dbraw/zinc/45/15/38/701451538.db2.gz RDEZUQQOKBKJFY-KXBFYZLASA-N 1 2 338.455 1.543 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)[nH]1 ZINC000941386889 701511106 /nfs/dbraw/zinc/51/11/06/701511106.db2.gz USSOOVUZQGCHGF-CYBMUJFWSA-N 1 2 348.366 1.407 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)noc3CCC)CC2)C1 ZINC000941404691 701518869 /nfs/dbraw/zinc/51/88/69/701518869.db2.gz NLCOTFFPAIFNGE-UHFFFAOYSA-N 1 2 330.432 1.011 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nc(C(C)C)oc3C)CC2)C1 ZINC000941408804 701521275 /nfs/dbraw/zinc/52/12/75/701521275.db2.gz VANXRBFMZYGSIB-UHFFFAOYSA-N 1 2 330.432 1.182 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CC3CC(F)(F)C3)CC2)C1 ZINC000941462787 701545019 /nfs/dbraw/zinc/54/50/19/701545019.db2.gz FEEMMBSBWCERDW-UHFFFAOYSA-N 1 2 325.403 1.274 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH]nc3C2)C1 ZINC001032199622 701768223 /nfs/dbraw/zinc/76/82/23/701768223.db2.gz VAFVFUCZBIXMRY-OAHLLOKOSA-N 1 2 349.438 1.634 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cc(OC)ns3)C2)nc1 ZINC001032135111 701893510 /nfs/dbraw/zinc/89/35/10/701893510.db2.gz JQOSOJORPVSJKK-UHFFFAOYSA-N 1 2 342.424 1.390 20 30 EDEDLO C#CCC(C)(C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000185430710 701921440 /nfs/dbraw/zinc/92/14/40/701921440.db2.gz YVVQXZYBOKSSOE-UHFFFAOYSA-N 1 2 342.443 1.286 20 30 EDEDLO COc1c(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)cnn1C ZINC001032155383 701947490 /nfs/dbraw/zinc/94/74/90/701947490.db2.gz VCZWKTXRGSWFCW-UHFFFAOYSA-N 1 2 345.428 1.224 20 30 EDEDLO CC(C)n1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)nn1 ZINC001015915061 702073872 /nfs/dbraw/zinc/07/38/72/702073872.db2.gz JSIICCVQNZVFPN-GFCCVEGCSA-N 1 2 344.444 1.796 20 30 EDEDLO CC(C)n1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)nn1 ZINC001015915061 702073880 /nfs/dbraw/zinc/07/38/80/702073880.db2.gz JSIICCVQNZVFPN-GFCCVEGCSA-N 1 2 344.444 1.796 20 30 EDEDLO Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](C)C1 ZINC000941930352 702158896 /nfs/dbraw/zinc/15/88/96/702158896.db2.gz SBGFHNHROOEWQX-GXFFZTMASA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](C)C1 ZINC000941930352 702158899 /nfs/dbraw/zinc/15/88/99/702158899.db2.gz SBGFHNHROOEWQX-GXFFZTMASA-N 1 2 328.376 1.218 20 30 EDEDLO CCc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)o1 ZINC000941965220 702257715 /nfs/dbraw/zinc/25/77/15/702257715.db2.gz XAFITOZUZXNKRJ-FZMZJTMJSA-N 1 2 342.403 1.472 20 30 EDEDLO CCc1nnc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)o1 ZINC000941965220 702257719 /nfs/dbraw/zinc/25/77/19/702257719.db2.gz XAFITOZUZXNKRJ-FZMZJTMJSA-N 1 2 342.403 1.472 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001031987437 702418409 /nfs/dbraw/zinc/41/84/09/702418409.db2.gz OBSFEXUUQLXQRY-ZBFHGGJFSA-N 1 2 341.411 1.967 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccc(C)n3)C[C@@H]2C)nc1 ZINC000944193233 702488655 /nfs/dbraw/zinc/48/86/55/702488655.db2.gz SQSCHHUGDMWDAD-WMLDXEAASA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nccc(C)n3)C[C@@H]2C)nc1 ZINC000944193233 702488660 /nfs/dbraw/zinc/48/86/60/702488660.db2.gz SQSCHHUGDMWDAD-WMLDXEAASA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)C[C@@H]2C)cn1 ZINC000944215018 702545454 /nfs/dbraw/zinc/54/54/54/702545454.db2.gz PSOMELDJWOMFDC-LRDDRELGSA-N 1 2 325.372 1.086 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)C[C@@H]2C)cn1 ZINC000944215018 702545459 /nfs/dbraw/zinc/54/54/59/702545459.db2.gz PSOMELDJWOMFDC-LRDDRELGSA-N 1 2 325.372 1.086 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](OC)C1 ZINC000942528445 703029090 /nfs/dbraw/zinc/02/90/90/703029090.db2.gz JIQNQTYVIMNXNA-QHSBEEBCSA-N 1 2 346.431 1.067 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](OC)C1 ZINC000942528445 703029091 /nfs/dbraw/zinc/02/90/91/703029091.db2.gz JIQNQTYVIMNXNA-QHSBEEBCSA-N 1 2 346.431 1.067 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@@H]2C)cc1 ZINC000942552082 703061087 /nfs/dbraw/zinc/06/10/87/703061087.db2.gz AHCOJENYEPHWQW-KSSFIOAISA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)C[C@@H]2C)cc1 ZINC000942552082 703061090 /nfs/dbraw/zinc/06/10/90/703061090.db2.gz AHCOJENYEPHWQW-KSSFIOAISA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)C[C@H]2C)cc1 ZINC000942552157 703061121 /nfs/dbraw/zinc/06/11/21/703061121.db2.gz BTIWUGKFEATLRE-DYVFJYSZSA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)C[C@H]2C)cc1 ZINC000942552157 703061123 /nfs/dbraw/zinc/06/11/23/703061123.db2.gz BTIWUGKFEATLRE-DYVFJYSZSA-N 1 2 338.411 2.000 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC(=O)Nc3ccon3)C[C@@H]2C)C1 ZINC000942607381 703123054 /nfs/dbraw/zinc/12/30/54/703123054.db2.gz DOOHHCNWAQPOJV-UONOGXRCSA-N 1 2 346.431 1.796 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC(=O)Nc3ccon3)C[C@@H]2C)C1 ZINC000942607381 703123056 /nfs/dbraw/zinc/12/30/56/703123056.db2.gz DOOHHCNWAQPOJV-UONOGXRCSA-N 1 2 346.431 1.796 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C)ncn2)C1 ZINC001032040619 703155790 /nfs/dbraw/zinc/15/57/90/703155790.db2.gz NCJHCBVDICPBLQ-ROUUACIJSA-N 1 2 344.459 1.704 20 30 EDEDLO C[C@H]1CN(C(=O)CSCC#N)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000735289143 703160801 /nfs/dbraw/zinc/16/08/01/703160801.db2.gz HWWCSFNQHDFKRF-GOEBONIOSA-N 1 2 333.457 1.509 20 30 EDEDLO C[C@H]1CN(C(=O)CSCC#N)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000735289143 703160803 /nfs/dbraw/zinc/16/08/03/703160803.db2.gz HWWCSFNQHDFKRF-GOEBONIOSA-N 1 2 333.457 1.509 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795512 703381124 /nfs/dbraw/zinc/38/11/24/703381124.db2.gz NEVGLUMJFCRFMM-DEYYWGMASA-N 1 2 348.447 1.071 20 30 EDEDLO Cc1ncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c(C)n1 ZINC001032058791 703493385 /nfs/dbraw/zinc/49/33/85/703493385.db2.gz QHKGLCCPSWKNBD-UHFFFAOYSA-N 1 2 341.440 1.888 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)OCCCO2 ZINC001032446175 703615091 /nfs/dbraw/zinc/61/50/91/703615091.db2.gz XSAVRSCKEFDYTQ-HOTGVXAUSA-N 1 2 326.396 1.770 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)OCCCO2 ZINC001032446175 703615092 /nfs/dbraw/zinc/61/50/92/703615092.db2.gz XSAVRSCKEFDYTQ-HOTGVXAUSA-N 1 2 326.396 1.770 20 30 EDEDLO CCc1n[nH]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032492745 703772313 /nfs/dbraw/zinc/77/23/13/703772313.db2.gz WERNXTLDGOPQRO-HOTGVXAUSA-N 1 2 335.411 1.943 20 30 EDEDLO CCc1n[nH]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032492745 703772314 /nfs/dbraw/zinc/77/23/14/703772314.db2.gz WERNXTLDGOPQRO-HOTGVXAUSA-N 1 2 335.411 1.943 20 30 EDEDLO C=C(Br)C[NH+]1CCC([C@H](C)NC(=O)c2cn[nH]n2)CC1 ZINC000997659885 703983624 /nfs/dbraw/zinc/98/36/24/703983624.db2.gz VYKUOVKTGGPHDW-JTQLQIEISA-N 1 2 342.241 1.544 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001033120125 704450143 /nfs/dbraw/zinc/45/01/43/704450143.db2.gz NSUMPQYWFQBIAU-ZIAGYGMSSA-N 1 2 327.856 1.529 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001033120125 704450145 /nfs/dbraw/zinc/45/01/45/704450145.db2.gz NSUMPQYWFQBIAU-ZIAGYGMSSA-N 1 2 327.856 1.529 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCN(C(=O)C(C)C)CC1 ZINC001032552991 704705948 /nfs/dbraw/zinc/70/59/48/704705948.db2.gz HRUOAHLKOVBZFZ-IRXDYDNUSA-N 1 2 331.460 1.189 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCN(C(=O)C(C)C)CC1 ZINC001032552991 704705950 /nfs/dbraw/zinc/70/59/50/704705950.db2.gz HRUOAHLKOVBZFZ-IRXDYDNUSA-N 1 2 331.460 1.189 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1c(C)csc1=O ZINC001032562104 704794577 /nfs/dbraw/zinc/79/45/77/704794577.db2.gz LWXDBYFDLUDTIR-KBPBESRZSA-N 1 2 335.473 1.716 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1c(C)csc1=O ZINC001032562104 704794580 /nfs/dbraw/zinc/79/45/80/704794580.db2.gz LWXDBYFDLUDTIR-KBPBESRZSA-N 1 2 335.473 1.716 20 30 EDEDLO Cc1nc[nH]c1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032230086 704935652 /nfs/dbraw/zinc/93/56/52/704935652.db2.gz ZSGRQCSMRDWZTK-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO C[C@H](CC(=O)N1CC2(C1)CCN(C(=O)[C@@H](C)C#N)CC2)n1cc[nH+]c1 ZINC000945035702 704966086 /nfs/dbraw/zinc/96/60/86/704966086.db2.gz RMZITIPVVFUSFK-LSDHHAIUSA-N 1 2 343.431 1.445 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CC23CCOCC3)C1 ZINC001032231447 704998548 /nfs/dbraw/zinc/99/85/48/704998548.db2.gz JABKLOYVZKTRBP-SFHVURJKSA-N 1 2 339.439 1.923 20 30 EDEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NCC#N)C1 ZINC000998275992 705660053 /nfs/dbraw/zinc/66/00/53/705660053.db2.gz KYGPURSCPPPATM-NEPJUHHUSA-N 1 2 343.353 1.245 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C1 ZINC000998746715 706182116 /nfs/dbraw/zinc/18/21/16/706182116.db2.gz OSCWLQPBXRHRSX-UWVGGRQHSA-N 1 2 345.325 1.415 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000999354551 706843527 /nfs/dbraw/zinc/84/35/27/706843527.db2.gz JTDAEUBOXOUKBX-CYBMUJFWSA-N 1 2 328.416 1.513 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000999360075 706850430 /nfs/dbraw/zinc/85/04/30/706850430.db2.gz ZZBRRSWHZSFWPV-SCLBCKFNSA-N 1 2 330.432 1.759 20 30 EDEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(N(C)C(=O)C(F)F)CC2)c1 ZINC001005025675 707151028 /nfs/dbraw/zinc/15/10/28/707151028.db2.gz NOZPQZKWYQPTAZ-UHFFFAOYSA-N 1 2 349.381 1.794 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001033309377 707476895 /nfs/dbraw/zinc/47/68/95/707476895.db2.gz MISDWRAZYKGNMW-QWHCGFSZSA-N 1 2 338.839 1.812 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC001033309377 707476897 /nfs/dbraw/zinc/47/68/97/707476897.db2.gz MISDWRAZYKGNMW-QWHCGFSZSA-N 1 2 338.839 1.812 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3C)C2)c1 ZINC001033332448 707565173 /nfs/dbraw/zinc/56/51/73/707565173.db2.gz INMFCHXLECEZIU-ZTFGCOKTSA-N 1 2 339.439 1.795 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[C@H]3C)C2)c1 ZINC001033332448 707565175 /nfs/dbraw/zinc/56/51/75/707565175.db2.gz INMFCHXLECEZIU-ZTFGCOKTSA-N 1 2 339.439 1.795 20 30 EDEDLO C=CCC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001061591175 707605699 /nfs/dbraw/zinc/60/56/99/707605699.db2.gz CMIAKNQYLVJCRO-OAHLLOKOSA-N 1 2 348.447 1.288 20 30 EDEDLO C=CCC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001061591175 707605703 /nfs/dbraw/zinc/60/57/03/707605703.db2.gz CMIAKNQYLVJCRO-OAHLLOKOSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(Br)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032731296 707732179 /nfs/dbraw/zinc/73/21/79/707732179.db2.gz IEPSOJMDCPBYRB-STQMWFEESA-N 1 2 339.237 1.156 20 30 EDEDLO CN(C(=O)c1n[nH]cc1F)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033401614 707808424 /nfs/dbraw/zinc/80/84/24/707808424.db2.gz VWODRJVZUHNLSR-CYBMUJFWSA-N 1 2 345.353 1.906 20 30 EDEDLO CN(C(=O)c1n[nH]cc1F)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033401614 707808429 /nfs/dbraw/zinc/80/84/29/707808429.db2.gz VWODRJVZUHNLSR-CYBMUJFWSA-N 1 2 345.353 1.906 20 30 EDEDLO C=C(Br)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001032754146 707832637 /nfs/dbraw/zinc/83/26/37/707832637.db2.gz YOJNXZIHBRFOSQ-RYUDHWBXSA-N 1 2 339.237 1.454 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2nnnc2C(C)C)C1 ZINC001033485458 707953414 /nfs/dbraw/zinc/95/34/14/707953414.db2.gz AUSMZEUUAANROW-LBPRGKRZSA-N 1 2 326.832 1.082 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2nnnc2C(C)C)C1 ZINC001033485458 707953415 /nfs/dbraw/zinc/95/34/15/707953415.db2.gz AUSMZEUUAANROW-LBPRGKRZSA-N 1 2 326.832 1.082 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001005202575 708188684 /nfs/dbraw/zinc/18/86/84/708188684.db2.gz YAFFHLVEZBCIKD-KGLIPLIRSA-N 1 2 332.448 1.908 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2(N3CCOCC3)CCC2)C1 ZINC001033536158 708189603 /nfs/dbraw/zinc/18/96/03/708189603.db2.gz IKYCYBVJCHIUJT-OAHLLOKOSA-N 1 2 341.883 1.527 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(N3CCOCC3)CCC2)C1 ZINC001033536158 708189605 /nfs/dbraw/zinc/18/96/05/708189605.db2.gz IKYCYBVJCHIUJT-OAHLLOKOSA-N 1 2 341.883 1.527 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001033572661 708243076 /nfs/dbraw/zinc/24/30/76/708243076.db2.gz XPLWVYGZCUHZKW-CYBMUJFWSA-N 1 2 349.822 1.818 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001033572661 708243077 /nfs/dbraw/zinc/24/30/77/708243077.db2.gz XPLWVYGZCUHZKW-CYBMUJFWSA-N 1 2 349.822 1.818 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3nnn(C)c3c2)C1 ZINC001033618277 708346844 /nfs/dbraw/zinc/34/68/44/708346844.db2.gz GADWXRLPDRBDFM-CYBMUJFWSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3nnn(C)c3c2)C1 ZINC001033618277 708346847 /nfs/dbraw/zinc/34/68/47/708346847.db2.gz GADWXRLPDRBDFM-CYBMUJFWSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCCCCC2=O)C1 ZINC001033641964 708409487 /nfs/dbraw/zinc/40/94/87/708409487.db2.gz GMRGTXVGHLPAGG-CQSZACIVSA-N 1 2 327.856 1.674 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCCCCC2=O)C1 ZINC001033641964 708409488 /nfs/dbraw/zinc/40/94/88/708409488.db2.gz GMRGTXVGHLPAGG-CQSZACIVSA-N 1 2 327.856 1.674 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC001002297868 708772561 /nfs/dbraw/zinc/77/25/61/708772561.db2.gz OGEBBGWQFVDUMV-QGZVFWFLSA-N 1 2 331.391 1.957 20 30 EDEDLO CCn1ccc(C[NH+]2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001002621560 709180913 /nfs/dbraw/zinc/18/09/13/709180913.db2.gz VSCUSZQYVRJBFU-UHFFFAOYSA-N 1 2 326.404 1.497 20 30 EDEDLO CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)o1 ZINC001002649862 709209435 /nfs/dbraw/zinc/20/94/35/709209435.db2.gz ZBVQVBJMDNYXRL-NSHDSACASA-N 1 2 342.403 1.787 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)Cc2cncnc2)CC1 ZINC001002706970 709315130 /nfs/dbraw/zinc/31/51/30/709315130.db2.gz QDUZHWCUQXUNQB-UHFFFAOYSA-N 1 2 339.237 1.508 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001034104082 709363933 /nfs/dbraw/zinc/36/39/33/709363933.db2.gz IZRSJRRKKNOBPV-OLZOCXBDSA-N 1 2 347.253 1.281 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001034104082 709363938 /nfs/dbraw/zinc/36/39/38/709363938.db2.gz IZRSJRRKKNOBPV-OLZOCXBDSA-N 1 2 347.253 1.281 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001002774928 709382409 /nfs/dbraw/zinc/38/24/09/709382409.db2.gz BYWZHDSDQQMOME-OAHLLOKOSA-N 1 2 344.459 1.622 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001034129327 709398083 /nfs/dbraw/zinc/39/80/83/709398083.db2.gz FDUOIRLYMDUULX-VXGBXAGGSA-N 1 2 344.253 1.144 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001034129327 709398085 /nfs/dbraw/zinc/39/80/85/709398085.db2.gz FDUOIRLYMDUULX-VXGBXAGGSA-N 1 2 344.253 1.144 20 30 EDEDLO Cc1nonc1C[N@@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034170837 709483775 /nfs/dbraw/zinc/48/37/75/709483775.db2.gz DQDYXGHGRIERTG-ZDUSSCGKSA-N 1 2 328.376 1.362 20 30 EDEDLO Cc1nonc1C[N@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034170837 709483777 /nfs/dbraw/zinc/48/37/77/709483777.db2.gz DQDYXGHGRIERTG-ZDUSSCGKSA-N 1 2 328.376 1.362 20 30 EDEDLO N#Cc1cc(C(=O)N[C@H]2CCCC[N@H+](Cc3cnns3)C2)c[nH]1 ZINC001034171426 709485411 /nfs/dbraw/zinc/48/54/11/709485411.db2.gz PMFXWUNYEFVQKT-LBPRGKRZSA-N 1 2 330.417 1.522 20 30 EDEDLO N#Cc1cc(C(=O)N[C@H]2CCCC[N@@H+](Cc3cnns3)C2)c[nH]1 ZINC001034171426 709485413 /nfs/dbraw/zinc/48/54/13/709485413.db2.gz PMFXWUNYEFVQKT-LBPRGKRZSA-N 1 2 330.417 1.522 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001002930024 709593968 /nfs/dbraw/zinc/59/39/68/709593968.db2.gz GZDPGDOWZUOUGC-GXTWGEPZSA-N 1 2 339.399 1.786 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001002931541 709597415 /nfs/dbraw/zinc/59/74/15/709597415.db2.gz OLAZMYMKTSGEAD-KGLIPLIRSA-N 1 2 339.399 1.557 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cn(C)c(=O)[nH]2)CC1 ZINC001003564006 710420409 /nfs/dbraw/zinc/42/04/09/710420409.db2.gz NUOPPHMKFYWMMR-UHFFFAOYSA-N 1 2 343.225 1.229 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CC[NH+](Cc3nccn3CC)CC2)c1 ZINC001003594356 710431968 /nfs/dbraw/zinc/43/19/68/710431968.db2.gz LLBDUICUNARTAA-UHFFFAOYSA-N 1 2 337.427 1.674 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)c1 ZINC001003598548 710435038 /nfs/dbraw/zinc/43/50/38/710435038.db2.gz MGQWBSPPUIKKIY-UHFFFAOYSA-N 1 2 349.438 1.600 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001003746466 710528862 /nfs/dbraw/zinc/52/88/62/710528862.db2.gz TYBYQNWCGLBMGS-ZXFNITATSA-N 1 2 330.432 1.734 20 30 EDEDLO C=CCCn1cc(C(=O)NC2CC[NH+](Cc3ccon3)CC2)nn1 ZINC001003766692 710543420 /nfs/dbraw/zinc/54/34/20/710543420.db2.gz POEQRINGCYBZQA-UHFFFAOYSA-N 1 2 330.392 1.237 20 30 EDEDLO CN(C(=O)c1cnccn1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032884764 710586624 /nfs/dbraw/zinc/58/66/24/710586624.db2.gz QUXQRMHENXLTGA-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO CN(C(=O)c1cnccn1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032884764 710586626 /nfs/dbraw/zinc/58/66/26/710586626.db2.gz QUXQRMHENXLTGA-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCCO2)C1 ZINC001032916316 710733557 /nfs/dbraw/zinc/73/35/57/710733557.db2.gz AZODELUSBVKBOW-CHWSQXEVSA-N 1 2 331.254 1.997 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCCO2)C1 ZINC001032916316 710733560 /nfs/dbraw/zinc/73/35/60/710733560.db2.gz AZODELUSBVKBOW-CHWSQXEVSA-N 1 2 331.254 1.997 20 30 EDEDLO CN(C(=O)[C@@H]1COCCO1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032920113 710768201 /nfs/dbraw/zinc/76/82/01/710768201.db2.gz MYDCGQGAOVVFSZ-RDJZCZTQSA-N 1 2 347.390 1.145 20 30 EDEDLO CN(C(=O)[C@@H]1COCCO1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032920113 710768208 /nfs/dbraw/zinc/76/82/08/710768208.db2.gz MYDCGQGAOVVFSZ-RDJZCZTQSA-N 1 2 347.390 1.145 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032931761 710859124 /nfs/dbraw/zinc/85/91/24/710859124.db2.gz QBRUDTJNJFSEAP-CYBMUJFWSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032931761 710859127 /nfs/dbraw/zinc/85/91/27/710859127.db2.gz QBRUDTJNJFSEAP-CYBMUJFWSA-N 1 2 345.403 1.895 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001032938437 710875745 /nfs/dbraw/zinc/87/57/45/710875745.db2.gz RPFWBHWTFJVMOT-CYBMUJFWSA-N 1 2 341.253 1.633 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001032938437 710875747 /nfs/dbraw/zinc/87/57/47/710875747.db2.gz RPFWBHWTFJVMOT-CYBMUJFWSA-N 1 2 341.253 1.633 20 30 EDEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001061797918 710967401 /nfs/dbraw/zinc/96/74/01/710967401.db2.gz SCBUHQYLXSTRFA-LSDHHAIUSA-N 1 2 348.447 1.288 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CCCC2)no1 ZINC001034885876 711291092 /nfs/dbraw/zinc/29/10/92/711291092.db2.gz BEGNMQLPKIALPD-TZMCWYRMSA-N 1 2 331.420 1.967 20 30 EDEDLO Cc1nccn1CC(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001004151250 711568522 /nfs/dbraw/zinc/56/85/22/711568522.db2.gz IZYWLTNIKFZRKH-UHFFFAOYSA-N 1 2 336.439 1.824 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccnn2C)C1 ZINC001033047293 711582743 /nfs/dbraw/zinc/58/27/43/711582743.db2.gz ONDWVOYUHHODSU-CYBMUJFWSA-N 1 2 341.253 1.404 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccnn2C)C1 ZINC001033047293 711582746 /nfs/dbraw/zinc/58/27/46/711582746.db2.gz ONDWVOYUHHODSU-CYBMUJFWSA-N 1 2 341.253 1.404 20 30 EDEDLO N#Cc1cncc(N2CCC[C@@H]2CNC(=O)c2cccc3[nH+]ccn32)n1 ZINC001061413706 711602058 /nfs/dbraw/zinc/60/20/58/711602058.db2.gz KLBASIGTPGTSLE-CQSZACIVSA-N 1 2 347.382 1.395 20 30 EDEDLO N#Cc1cnccc1N1CCC[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001061414250 711605118 /nfs/dbraw/zinc/60/51/18/711605118.db2.gz ZKWYBJSZVGOSFR-HNNXBMFYSA-N 1 2 346.394 2.000 20 30 EDEDLO COc1cnc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)nc1 ZINC001004482687 711872773 /nfs/dbraw/zinc/87/27/73/711872773.db2.gz DODGOTDCIHVOMR-HNNXBMFYSA-N 1 2 329.404 1.325 20 30 EDEDLO COc1cnc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)nc1 ZINC001004482687 711872774 /nfs/dbraw/zinc/87/27/74/711872774.db2.gz DODGOTDCIHVOMR-HNNXBMFYSA-N 1 2 329.404 1.325 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001033128071 711879136 /nfs/dbraw/zinc/87/91/36/711879136.db2.gz HZHQSRUKQVSXQZ-UONOGXRCSA-N 1 2 341.883 1.919 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001033128071 711879138 /nfs/dbraw/zinc/87/91/38/711879138.db2.gz HZHQSRUKQVSXQZ-UONOGXRCSA-N 1 2 341.883 1.919 20 30 EDEDLO Cn1cc(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(Cl)n1 ZINC001004548769 711959408 /nfs/dbraw/zinc/95/94/08/711959408.db2.gz UOLMRFAOWXTUKI-HNNXBMFYSA-N 1 2 349.866 1.843 20 30 EDEDLO Cn1cc(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c(Cl)n1 ZINC001004548769 711959410 /nfs/dbraw/zinc/95/94/10/711959410.db2.gz UOLMRFAOWXTUKI-HNNXBMFYSA-N 1 2 349.866 1.843 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 ZINC001004622842 712069557 /nfs/dbraw/zinc/06/95/57/712069557.db2.gz DVBJQNBOBSIWAX-MRXNPFEDSA-N 1 2 341.415 1.021 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 ZINC001004622842 712069560 /nfs/dbraw/zinc/06/95/60/712069560.db2.gz DVBJQNBOBSIWAX-MRXNPFEDSA-N 1 2 341.415 1.021 20 30 EDEDLO CN(C)c1ncccc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004620046 712081299 /nfs/dbraw/zinc/08/12/99/712081299.db2.gz FTGJOFKZIATGSP-QGZVFWFLSA-N 1 2 341.459 1.988 20 30 EDEDLO CN(C)c1ncccc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004620046 712081301 /nfs/dbraw/zinc/08/13/01/712081301.db2.gz FTGJOFKZIATGSP-QGZVFWFLSA-N 1 2 341.459 1.988 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000173894759 231064460 /nfs/dbraw/zinc/06/44/60/231064460.db2.gz CEWIYPXISOJKJC-MRXNPFEDSA-N 1 2 349.456 1.434 20 30 EDEDLO C[C@H](CNC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000328916236 539377387 /nfs/dbraw/zinc/37/73/87/539377387.db2.gz KCQXFKMVWXKOEU-KFWWJZLASA-N 1 2 327.469 1.804 20 30 EDEDLO COc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cn1 ZINC000328910944 539376698 /nfs/dbraw/zinc/37/66/98/539376698.db2.gz GAJYMJKLGNEXCC-UHFFFAOYSA-N 1 2 346.431 1.339 20 30 EDEDLO Cc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cn1 ZINC000328953494 539379299 /nfs/dbraw/zinc/37/92/99/539379299.db2.gz XZJYVRPJDVKZFW-UHFFFAOYSA-N 1 2 330.432 1.639 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CNC(=O)NC2CCCCC2)C1 ZINC000329386961 539433162 /nfs/dbraw/zinc/43/31/62/539433162.db2.gz SQNHILQILKARFG-CQSZACIVSA-N 1 2 325.457 1.025 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CNC(=O)NC2CCCCC2)C1 ZINC000329386961 539433166 /nfs/dbraw/zinc/43/31/66/539433166.db2.gz SQNHILQILKARFG-CQSZACIVSA-N 1 2 325.457 1.025 20 30 EDEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NCC2(C)COC2)cc1 ZINC000329432440 539436061 /nfs/dbraw/zinc/43/60/61/539436061.db2.gz KOLZYGXZWSQEGX-KRWDZBQOSA-N 1 2 347.459 1.908 20 30 EDEDLO O=C(CCNC(=O)C1CCCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329735527 539460849 /nfs/dbraw/zinc/46/08/49/539460849.db2.gz KZUREEJOGOODGO-MRXNPFEDSA-N 1 2 337.464 1.846 20 30 EDEDLO Cc1cnc([C@H](C)NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000329970225 539482861 /nfs/dbraw/zinc/48/28/61/539482861.db2.gz UWQYABGYCZAJFC-QWHCGFSZSA-N 1 2 332.408 1.680 20 30 EDEDLO CCN1CCN(C(=O)NCCc2cccc(C)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329985263 539484179 /nfs/dbraw/zinc/48/41/79/539484179.db2.gz QYWAXGGOGWWTEJ-MRXNPFEDSA-N 1 2 342.447 1.948 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000377646467 283086725 /nfs/dbraw/zinc/08/67/25/283086725.db2.gz DKPSMWRVSZYNFN-OCCSQVGLSA-N 1 2 334.217 1.889 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000377646467 283086730 /nfs/dbraw/zinc/08/67/30/283086730.db2.gz DKPSMWRVSZYNFN-OCCSQVGLSA-N 1 2 334.217 1.889 20 30 EDEDLO N#Cc1cc2c(nc1N1CC[NH+]([C@@H]3CCCCNC3=O)CC1)CCC2 ZINC000364057907 283116147 /nfs/dbraw/zinc/11/61/47/283116147.db2.gz UETZWFRKZNMIEF-QGZVFWFLSA-N 1 2 339.443 1.233 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090201633 138277836 /nfs/dbraw/zinc/27/78/36/138277836.db2.gz WBTBAKAEIFQDBW-CABCVRRESA-N 1 2 335.429 1.090 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090201633 138277837 /nfs/dbraw/zinc/27/78/37/138277837.db2.gz WBTBAKAEIFQDBW-CABCVRRESA-N 1 2 335.429 1.090 20 30 EDEDLO CCCS(=O)(=O)CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000132727031 138382135 /nfs/dbraw/zinc/38/21/35/138382135.db2.gz XYLQNEQSTCGCEX-UHFFFAOYSA-N 1 2 349.500 1.891 20 30 EDEDLO CCCS(=O)(=O)CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000132727031 138382137 /nfs/dbraw/zinc/38/21/37/138382137.db2.gz XYLQNEQSTCGCEX-UHFFFAOYSA-N 1 2 349.500 1.891 20 30 EDEDLO Cc1ncc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)s1 ZINC000566571699 306420324 /nfs/dbraw/zinc/42/03/24/306420324.db2.gz AOOLTAWTCLOTIZ-UHFFFAOYSA-N 1 2 330.413 1.365 20 30 EDEDLO C=CCCOCCNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000270497501 249416830 /nfs/dbraw/zinc/41/68/30/249416830.db2.gz YGFJFFDAOVLGGF-UHFFFAOYSA-N 1 2 340.493 1.788 20 30 EDEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000341986673 250004560 /nfs/dbraw/zinc/00/45/60/250004560.db2.gz ZYZQPRBMRVIMHK-HNNXBMFYSA-N 1 2 332.448 1.970 20 30 EDEDLO CC(C)(C#N)CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000351839090 250066899 /nfs/dbraw/zinc/06/68/99/250066899.db2.gz APLFMEGKJOZDCF-HNNXBMFYSA-N 1 2 326.466 1.043 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2c(C)cc(C)nc2OC)CC1 ZINC000346892024 250048468 /nfs/dbraw/zinc/04/84/68/250048468.db2.gz TZBNIXVSHJXSPC-UHFFFAOYSA-N 1 2 332.448 1.127 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(C)cc(C)nc2OC)CC1 ZINC000346892024 250048472 /nfs/dbraw/zinc/04/84/72/250048472.db2.gz TZBNIXVSHJXSPC-UHFFFAOYSA-N 1 2 332.448 1.127 20 30 EDEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000346994357 250050301 /nfs/dbraw/zinc/05/03/01/250050301.db2.gz YURLSJFNRBVYMO-MRXNPFEDSA-N 1 2 344.459 1.909 20 30 EDEDLO C=CCCCNC(=O)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000359374519 250152574 /nfs/dbraw/zinc/15/25/74/250152574.db2.gz QFZLGRVZWXLXMR-ZDUSSCGKSA-N 1 2 332.448 1.694 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361105618 250170434 /nfs/dbraw/zinc/17/04/34/250170434.db2.gz VTTZWLXAWYYREO-CABCVRRESA-N 1 2 347.463 1.955 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000363538962 250185676 /nfs/dbraw/zinc/18/56/76/250185676.db2.gz CLZLQMGIFRRYPK-OAHLLOKOSA-N 1 2 344.415 1.126 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000363538962 250185681 /nfs/dbraw/zinc/18/56/81/250185681.db2.gz CLZLQMGIFRRYPK-OAHLLOKOSA-N 1 2 344.415 1.126 20 30 EDEDLO C=CCN(CC)C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000365461351 250186687 /nfs/dbraw/zinc/18/66/87/250186687.db2.gz OLCINRJDWITDRL-UHFFFAOYSA-N 1 2 325.453 1.474 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000372609338 250222951 /nfs/dbraw/zinc/22/29/51/250222951.db2.gz JMGKYPABXOYLRO-UHFFFAOYSA-N 1 2 333.411 1.495 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000372609338 250222953 /nfs/dbraw/zinc/22/29/53/250222953.db2.gz JMGKYPABXOYLRO-UHFFFAOYSA-N 1 2 333.411 1.495 20 30 EDEDLO C#Cc1cccc(NC(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1 ZINC000370353787 250205728 /nfs/dbraw/zinc/20/57/28/250205728.db2.gz SPAJDUQLJCMRBV-QGZVFWFLSA-N 1 2 340.427 1.486 20 30 EDEDLO C=CCC[C@@H](O)CN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000370495225 250206933 /nfs/dbraw/zinc/20/69/33/250206933.db2.gz SLKOQWMEOYFMOR-RHSMWYFYSA-N 1 2 328.416 1.443 20 30 EDEDLO N#CC1(c2ccc(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cc2)CC1 ZINC000373199746 250233169 /nfs/dbraw/zinc/23/31/69/250233169.db2.gz BTDQODJEAUCKAZ-KRWDZBQOSA-N 1 2 325.412 1.788 20 30 EDEDLO Cc1nc(C)n(C2C[NH+](C[C@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000424143159 252141519 /nfs/dbraw/zinc/14/15/19/252141519.db2.gz WDMRLEMZXQOERD-KRWDZBQOSA-N 1 2 341.415 1.258 20 30 EDEDLO N#Cc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)s1 ZINC000487336423 255029287 /nfs/dbraw/zinc/02/92/87/255029287.db2.gz RRGYGGFIGJVUAF-UHFFFAOYSA-N 1 2 331.401 1.401 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCCO2)CC1 ZINC000491067532 255118317 /nfs/dbraw/zinc/11/83/17/255118317.db2.gz IYKKIMOEQGISOP-QGZVFWFLSA-N 1 2 343.475 1.555 20 30 EDEDLO CCOC(=O)N(C)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000491076654 255119450 /nfs/dbraw/zinc/11/94/50/255119450.db2.gz PHIRXKNSUDQJJJ-KRWDZBQOSA-N 1 2 338.452 1.594 20 30 EDEDLO C#C[C@@H](NC(=O)C(=O)Nc1c[nH+]ccc1OC)c1ccc(F)cc1 ZINC000491678328 255139697 /nfs/dbraw/zinc/13/96/97/255139697.db2.gz ATDQEQDYCWZLIC-CYBMUJFWSA-N 1 2 327.315 1.659 20 30 EDEDLO C#CCN(CC#C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000491700520 255142643 /nfs/dbraw/zinc/14/26/43/255142643.db2.gz KILOTHSFZOBYFR-KRWDZBQOSA-N 1 2 340.427 1.112 20 30 EDEDLO C#CCN(CC#C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000491700520 255142645 /nfs/dbraw/zinc/14/26/45/255142645.db2.gz KILOTHSFZOBYFR-KRWDZBQOSA-N 1 2 340.427 1.112 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2sc(CC)nc2C)CC1 ZINC000491707986 255144290 /nfs/dbraw/zinc/14/42/90/255144290.db2.gz MHWKBUVRWUMVBM-HNNXBMFYSA-N 1 2 348.516 1.784 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](C)[C@@H](C)c2sc(CC)nc2C)CC1 ZINC000491707986 255144291 /nfs/dbraw/zinc/14/42/91/255144291.db2.gz MHWKBUVRWUMVBM-HNNXBMFYSA-N 1 2 348.516 1.784 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000491726577 255145124 /nfs/dbraw/zinc/14/51/24/255145124.db2.gz KCGTYFYRNBPSJP-IXDOHACOSA-N 1 2 333.476 1.342 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000491726577 255145126 /nfs/dbraw/zinc/14/51/26/255145126.db2.gz KCGTYFYRNBPSJP-IXDOHACOSA-N 1 2 333.476 1.342 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2COC(=O)N2CCCC2)CCC1 ZINC000495686999 255315513 /nfs/dbraw/zinc/31/55/13/255315513.db2.gz JFDQPVQMYWYFNF-OAHLLOKOSA-N 1 2 348.447 1.636 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2COC(=O)N2CCCC2)CCC1 ZINC000495686999 255315514 /nfs/dbraw/zinc/31/55/14/255315514.db2.gz JFDQPVQMYWYFNF-OAHLLOKOSA-N 1 2 348.447 1.636 20 30 EDEDLO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH+]2CC(O)(CC#N)C2)CC1 ZINC000496349258 255384901 /nfs/dbraw/zinc/38/49/01/255384901.db2.gz UICYFXICKCBGJN-INIZCTEOSA-N 1 2 339.436 1.099 20 30 EDEDLO COCC1(O)CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000270344168 140082859 /nfs/dbraw/zinc/08/28/59/140082859.db2.gz FTOKBZFRBKYJMG-ZDUSSCGKSA-N 1 2 335.429 1.198 20 30 EDEDLO C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271298705 140273305 /nfs/dbraw/zinc/27/33/05/140273305.db2.gz QLHJWVHKACUUMP-YJBOKZPZSA-N 1 2 342.443 1.953 20 30 EDEDLO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000571899946 306577215 /nfs/dbraw/zinc/57/72/15/306577215.db2.gz HJTLUNZXNBYSFJ-UHFFFAOYSA-N 1 2 339.399 1.310 20 30 EDEDLO CC[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1[NH+]1CCOCC1 ZINC000331269471 141001705 /nfs/dbraw/zinc/00/17/05/141001705.db2.gz LUCFYBUDUMZOFN-CZUORRHYSA-N 1 2 329.400 1.447 20 30 EDEDLO Cc1cccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1C#N ZINC000331287188 141003737 /nfs/dbraw/zinc/00/37/37/141003737.db2.gz YTEIMANMTYZGNC-UHFFFAOYSA-N 1 2 345.428 1.096 20 30 EDEDLO Cc1[nH]c(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c[nH+]1 ZINC000339284908 142004187 /nfs/dbraw/zinc/00/41/87/142004187.db2.gz PSQZWFMICYJHCV-UHFFFAOYSA-N 1 2 349.398 1.720 20 30 EDEDLO N#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000340155326 142285779 /nfs/dbraw/zinc/28/57/79/142285779.db2.gz UESGLTQXCDBYLL-HNNXBMFYSA-N 1 2 337.383 1.065 20 30 EDEDLO N#Cc1csc(CNC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000352839966 149187354 /nfs/dbraw/zinc/18/73/54/149187354.db2.gz STIJCKDSFUYDSB-JKSUJKDBSA-N 1 2 328.441 1.740 20 30 EDEDLO N#Cc1csc(CNC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)n1 ZINC000352839966 149187358 /nfs/dbraw/zinc/18/73/58/149187358.db2.gz STIJCKDSFUYDSB-JKSUJKDBSA-N 1 2 328.441 1.740 20 30 EDEDLO COc1cc(CNc2cc(N3CCOCC3)nc[nH+]2)ccc1C#N ZINC000357624676 151089280 /nfs/dbraw/zinc/08/92/80/151089280.db2.gz VEUFAQSNADPHNE-UHFFFAOYSA-N 1 2 325.372 1.806 20 30 EDEDLO COc1cc(CNc2cc(N3CCOCC3)[nH+]cn2)ccc1C#N ZINC000357624676 151089282 /nfs/dbraw/zinc/08/92/82/151089282.db2.gz VEUFAQSNADPHNE-UHFFFAOYSA-N 1 2 325.372 1.806 20 30 EDEDLO C[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000360611966 152122653 /nfs/dbraw/zinc/12/26/53/152122653.db2.gz OOJPXRUZYVKWEK-MPGHIAIKSA-N 1 2 327.428 1.983 20 30 EDEDLO N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364744923 153321273 /nfs/dbraw/zinc/32/12/73/153321273.db2.gz ATDWIOXENQDKJG-INIZCTEOSA-N 1 2 335.411 1.666 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(C#N)c(Cl)n1 ZINC000366458052 153822683 /nfs/dbraw/zinc/82/26/83/153822683.db2.gz WHQCZLAXEXNTCS-BXUZGUMPSA-N 1 2 334.807 1.542 20 30 EDEDLO N#Cc1cc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1F ZINC000367219801 154046520 /nfs/dbraw/zinc/04/65/20/154046520.db2.gz YSDQDEPXDYNUEA-QGZVFWFLSA-N 1 2 349.431 1.635 20 30 EDEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)COCC(C)C)CC2)c1C#N ZINC000352188074 162038605 /nfs/dbraw/zinc/03/86/05/162038605.db2.gz FDYSJLSURHOXFD-CQSZACIVSA-N 1 2 338.477 1.479 20 30 EDEDLO CC(C)OCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000080482554 287307585 /nfs/dbraw/zinc/30/75/85/287307585.db2.gz XMWQEDOOHCZEFN-MRXNPFEDSA-N 1 2 345.443 1.895 20 30 EDEDLO COC(=O)[C@@H](c1cccnc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942672 287326010 /nfs/dbraw/zinc/32/60/10/287326010.db2.gz JDBDVKPPFCMRTK-CQSZACIVSA-N 1 2 328.376 1.037 20 30 EDEDLO COC(=O)[C@@H](c1cccnc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089942672 287326013 /nfs/dbraw/zinc/32/60/13/287326013.db2.gz JDBDVKPPFCMRTK-CQSZACIVSA-N 1 2 328.376 1.037 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000433904106 270012926 /nfs/dbraw/zinc/01/29/26/270012926.db2.gz PCWKSKKLSMFYEY-UHFFFAOYSA-N 1 2 344.415 1.101 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000292157292 270010682 /nfs/dbraw/zinc/01/06/82/270010682.db2.gz CIEBYYIRBOPOQK-ZDUSSCGKSA-N 1 2 346.387 1.650 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)nn3)CC2)cc1 ZINC000294877422 270011089 /nfs/dbraw/zinc/01/10/89/270011089.db2.gz QMBTWOJTINREGN-UHFFFAOYSA-N 1 2 341.802 1.960 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1cncc(C#N)c1)C2 ZINC000289816365 265928301 /nfs/dbraw/zinc/92/83/01/265928301.db2.gz NTVRAUCGXQOCSO-UHFFFAOYSA-N 1 2 345.428 1.557 20 30 EDEDLO C[C@@H]1SCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1C ZINC000290484388 267103481 /nfs/dbraw/zinc/10/34/81/267103481.db2.gz XLYOOTRUISVWPX-RYUDHWBXSA-N 1 2 325.459 1.553 20 30 EDEDLO C[C@@H]1SCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1C ZINC000290484388 267103484 /nfs/dbraw/zinc/10/34/84/267103484.db2.gz XLYOOTRUISVWPX-RYUDHWBXSA-N 1 2 325.459 1.553 20 30 EDEDLO CC[C@H]1C[N@H+](CC)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000451740496 267230040 /nfs/dbraw/zinc/23/00/40/267230040.db2.gz MDYPDPYKKSXRFA-HNNXBMFYSA-N 1 2 336.461 1.143 20 30 EDEDLO CC[C@H]1C[N@@H+](CC)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000451740496 267230046 /nfs/dbraw/zinc/23/00/46/267230046.db2.gz MDYPDPYKKSXRFA-HNNXBMFYSA-N 1 2 336.461 1.143 20 30 EDEDLO Cn1c(Cl)cnc1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000281819723 267764397 /nfs/dbraw/zinc/76/43/97/267764397.db2.gz WUCPEGCTSTYYLV-CQSZACIVSA-N 1 2 343.818 1.836 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)c(OC(F)F)c1 ZINC000437145030 268218837 /nfs/dbraw/zinc/21/88/37/268218837.db2.gz SKJKECCEWGHVRK-LBPRGKRZSA-N 1 2 345.371 1.413 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c(OC(F)F)c1 ZINC000437145030 268218840 /nfs/dbraw/zinc/21/88/40/268218840.db2.gz SKJKECCEWGHVRK-LBPRGKRZSA-N 1 2 345.371 1.413 20 30 EDEDLO N#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000284056094 268249134 /nfs/dbraw/zinc/24/91/34/268249134.db2.gz QKBUFMKOUNOGQS-HNNXBMFYSA-N 1 2 337.383 1.651 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nnc3ccccn32)cc1 ZINC000517210674 268250700 /nfs/dbraw/zinc/25/07/00/268250700.db2.gz WWZZJLYXXUHETA-UHFFFAOYSA-N 1 2 341.396 1.164 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000528501890 268301585 /nfs/dbraw/zinc/30/15/85/268301585.db2.gz FMDNVYFIFVDOJM-UONOGXRCSA-N 1 2 326.343 1.654 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000528501890 268301586 /nfs/dbraw/zinc/30/15/86/268301586.db2.gz FMDNVYFIFVDOJM-UONOGXRCSA-N 1 2 326.343 1.654 20 30 EDEDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000275374825 268332329 /nfs/dbraw/zinc/33/23/29/268332329.db2.gz BFLLENFKBJKUES-SFHVURJKSA-N 1 2 328.416 1.165 20 30 EDEDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000275374825 268332330 /nfs/dbraw/zinc/33/23/30/268332330.db2.gz BFLLENFKBJKUES-SFHVURJKSA-N 1 2 328.416 1.165 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)[nH]3)c[nH+]2)C[C@H](C)O1 ZINC000158069490 287690499 /nfs/dbraw/zinc/69/04/99/287690499.db2.gz XLGMTZUDPSTBSB-BETUJISGSA-N 1 2 339.399 1.825 20 30 EDEDLO C#CCN(CC#CC)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000490680296 275380879 /nfs/dbraw/zinc/38/08/79/275380879.db2.gz ZEMXYQDETGLFTF-IBGZPJMESA-N 1 2 339.439 1.728 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000066563213 301224875 /nfs/dbraw/zinc/22/48/75/301224875.db2.gz HNEQFTRJXYXWCP-QGZVFWFLSA-N 1 2 342.443 1.890 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000066563213 301224877 /nfs/dbraw/zinc/22/48/77/301224877.db2.gz HNEQFTRJXYXWCP-QGZVFWFLSA-N 1 2 342.443 1.890 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000352912487 303200550 /nfs/dbraw/zinc/20/05/50/303200550.db2.gz DMBSILJSCIQDKC-UKRRQHHQSA-N 1 2 341.333 1.864 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000352912487 303200551 /nfs/dbraw/zinc/20/05/51/303200551.db2.gz DMBSILJSCIQDKC-UKRRQHHQSA-N 1 2 341.333 1.864 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000448961848 447357721 /nfs/dbraw/zinc/35/77/21/447357721.db2.gz ONUQDPQEODVEEM-OTWHNJEPSA-N 1 2 344.455 1.637 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000535265919 306012278 /nfs/dbraw/zinc/01/22/78/306012278.db2.gz XXOGLAIWJUFPBP-QGZVFWFLSA-N 1 2 340.452 1.964 20 30 EDEDLO COC(=O)c1cccc(C[NH2+][C@H](c2nncn2C)C(C)C)c1C#N ZINC000551993681 306173005 /nfs/dbraw/zinc/17/30/05/306173005.db2.gz RBLOTBUJQCGHLH-HNNXBMFYSA-N 1 2 327.388 1.960 20 30 EDEDLO N#Cc1cccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1Br ZINC000450187708 447433953 /nfs/dbraw/zinc/43/39/53/447433953.db2.gz PFJABNOTOCPIDY-GFCCVEGCSA-N 1 2 349.232 1.050 20 30 EDEDLO COc1ncccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045528384 440998132 /nfs/dbraw/zinc/99/81/32/440998132.db2.gz YWVHVMHECLDCKP-UHFFFAOYSA-N 1 2 336.395 1.920 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)N(CC)CC)CC1 ZINC000046059998 441076611 /nfs/dbraw/zinc/07/66/11/441076611.db2.gz GYFJLDANBFLPPI-MRXNPFEDSA-N 1 2 336.480 1.655 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000046777902 441123499 /nfs/dbraw/zinc/12/34/99/441123499.db2.gz FQHHENKKYKHZBT-UHFFFAOYSA-N 1 2 347.419 1.536 20 30 EDEDLO N#CCCN(CCC(=O)Nc1ccccc1F)CC[NH+]1CCOCC1 ZINC000081158062 441237256 /nfs/dbraw/zinc/23/72/56/441237256.db2.gz BVDMKEMHTHKXNJ-UHFFFAOYSA-N 1 2 348.422 1.702 20 30 EDEDLO N#CCC[N@@H+](CCC(=O)Nc1ccccc1F)CCN1CCOCC1 ZINC000081158062 441237260 /nfs/dbraw/zinc/23/72/60/441237260.db2.gz BVDMKEMHTHKXNJ-UHFFFAOYSA-N 1 2 348.422 1.702 20 30 EDEDLO N#CCC[N@H+](CCC(=O)Nc1ccccc1F)CCN1CCOCC1 ZINC000081158062 441237262 /nfs/dbraw/zinc/23/72/62/441237262.db2.gz BVDMKEMHTHKXNJ-UHFFFAOYSA-N 1 2 348.422 1.702 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000017307925 441241159 /nfs/dbraw/zinc/24/11/59/441241159.db2.gz BPWZNWXSIPSCHJ-ZDUSSCGKSA-N 1 2 337.445 1.741 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000017307925 441241163 /nfs/dbraw/zinc/24/11/63/441241163.db2.gz BPWZNWXSIPSCHJ-ZDUSSCGKSA-N 1 2 337.445 1.741 20 30 EDEDLO COC(=O)CN(CC#N)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000080872762 441201984 /nfs/dbraw/zinc/20/19/84/441201984.db2.gz DEAFZDXQKRPBEM-UHFFFAOYSA-N 1 2 337.177 1.595 20 30 EDEDLO C=CCN(C(=O)C[N@@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000058823641 441214188 /nfs/dbraw/zinc/21/41/88/441214188.db2.gz HCSZXUMBIBKGQW-INIZCTEOSA-N 1 2 336.457 1.320 20 30 EDEDLO C=CCN(C(=O)C[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000058823641 441214191 /nfs/dbraw/zinc/21/41/91/441214191.db2.gz HCSZXUMBIBKGQW-INIZCTEOSA-N 1 2 336.457 1.320 20 30 EDEDLO C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000105301481 441248983 /nfs/dbraw/zinc/24/89/83/441248983.db2.gz FPGJCUVRTGCQCX-GJZGRUSLSA-N 1 2 330.432 1.809 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC3(CNC(=O)C3)CC2)c(C#N)c1C ZINC000072696608 441251122 /nfs/dbraw/zinc/25/11/22/441251122.db2.gz BBGXXZZDFZBRNP-UHFFFAOYSA-N 1 2 330.388 1.309 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000105797293 441272012 /nfs/dbraw/zinc/27/20/12/441272012.db2.gz SWTVKGFXKKUVOJ-MRXNPFEDSA-N 1 2 346.475 1.998 20 30 EDEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(C[C@H](C#N)CCC#N)CC2)C1 ZINC000072895274 441273891 /nfs/dbraw/zinc/27/38/91/441273891.db2.gz XWXDBYPNYAHAGU-KSZLIROESA-N 1 2 345.491 1.552 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(NC(N)=O)CC1 ZINC000081540312 441285070 /nfs/dbraw/zinc/28/50/70/441285070.db2.gz OCIUGTRDEBQKTF-SNVBAGLBSA-N 1 2 349.822 1.671 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000073640842 441336882 /nfs/dbraw/zinc/33/68/82/441336882.db2.gz VMXQQBUEFYDBPF-MRXNPFEDSA-N 1 2 339.361 1.657 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000073139657 441297449 /nfs/dbraw/zinc/29/74/49/441297449.db2.gz ZJJCZLKGBKZWJB-OAHLLOKOSA-N 1 2 327.432 1.143 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CCC[N@@H+](CC(=O)NCC)CC2)cc1 ZINC000063770432 441351938 /nfs/dbraw/zinc/35/19/38/441351938.db2.gz BCUBXPWRPGPXMM-UHFFFAOYSA-N 1 2 345.443 1.535 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CCC[N@H+](CC(=O)NCC)CC2)cc1 ZINC000063770432 441351940 /nfs/dbraw/zinc/35/19/40/441351940.db2.gz BCUBXPWRPGPXMM-UHFFFAOYSA-N 1 2 345.443 1.535 20 30 EDEDLO CC[N@@H+](CC(=O)NCCc1ccc(OC)c(OC)c1)C[C@H](C)C#N ZINC000049982110 441368039 /nfs/dbraw/zinc/36/80/39/441368039.db2.gz IYCCROWGXQTKBC-CQSZACIVSA-N 1 2 333.432 1.844 20 30 EDEDLO CC[N@H+](CC(=O)NCCc1ccc(OC)c(OC)c1)C[C@H](C)C#N ZINC000049982110 441368044 /nfs/dbraw/zinc/36/80/44/441368044.db2.gz IYCCROWGXQTKBC-CQSZACIVSA-N 1 2 333.432 1.844 20 30 EDEDLO C=CCOCCCC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000085264763 441430853 /nfs/dbraw/zinc/43/08/53/441430853.db2.gz NNWRACPDDHHBRQ-UHFFFAOYSA-N 1 2 325.478 1.995 20 30 EDEDLO N#CC1(NC(=O)C[NH+]2CCN(c3ccccc3O)CC2)CCCCC1 ZINC000029801342 441474267 /nfs/dbraw/zinc/47/42/67/441474267.db2.gz FGTLOIVHHXYAQP-UHFFFAOYSA-N 1 2 342.443 1.857 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)C1CCCCC1 ZINC000029447197 441459646 /nfs/dbraw/zinc/45/96/46/441459646.db2.gz KYFGLURVXOLBHF-UHFFFAOYSA-N 1 2 341.459 1.866 20 30 EDEDLO Cc1cc(C)c(C#N)c(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000088758028 441519986 /nfs/dbraw/zinc/51/99/86/441519986.db2.gz CZQXLAINLIQBNQ-INIZCTEOSA-N 1 2 341.459 1.703 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181706 441607677 /nfs/dbraw/zinc/60/76/77/441607677.db2.gz HJEGNILDRFVMDL-HTQZYQBOSA-N 1 2 347.259 1.671 20 30 EDEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3nc(C)no3)cn2)n1 ZINC000114186105 441639443 /nfs/dbraw/zinc/63/94/43/441639443.db2.gz MTOVSSJBBYBWDA-UHFFFAOYSA-N 1 2 327.348 1.413 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000158280723 441717436 /nfs/dbraw/zinc/71/74/36/441717436.db2.gz AFLNMPYCGFJZPZ-UHFFFAOYSA-N 1 2 332.423 1.683 20 30 EDEDLO COC(=O)c1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c[nH]1 ZINC000091936811 441754668 /nfs/dbraw/zinc/75/46/68/441754668.db2.gz RQOPKWATANGDJI-GFCCVEGCSA-N 1 2 340.387 1.174 20 30 EDEDLO COC(=O)c1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c[nH]1 ZINC000091936811 441754672 /nfs/dbraw/zinc/75/46/72/441754672.db2.gz RQOPKWATANGDJI-GFCCVEGCSA-N 1 2 340.387 1.174 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000115334141 441726916 /nfs/dbraw/zinc/72/69/16/441726916.db2.gz MWKXBFIBDZPNDM-UHFFFAOYSA-N 1 2 325.372 1.516 20 30 EDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc2cc(C#N)ccc2n1 ZINC000092920279 441840411 /nfs/dbraw/zinc/84/04/11/441840411.db2.gz SQODRMIRAHBFPK-MRXNPFEDSA-N 1 2 326.400 1.236 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000122454768 441851403 /nfs/dbraw/zinc/85/14/03/441851403.db2.gz KXLOHVYPTNBBLH-HNNXBMFYSA-N 1 2 329.419 1.462 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1C ZINC000160814522 441923646 /nfs/dbraw/zinc/92/36/46/441923646.db2.gz CLOBMWIGTZKHLS-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1C ZINC000160814522 441923650 /nfs/dbraw/zinc/92/36/50/441923650.db2.gz CLOBMWIGTZKHLS-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO COCC[N@H+](CC(=O)NC[C@@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC000069520966 441962239 /nfs/dbraw/zinc/96/22/39/441962239.db2.gz MAOLDFMFYRIYQD-KRWDZBQOSA-N 1 2 331.416 1.302 20 30 EDEDLO COCC[N@@H+](CC(=O)NC[C@@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC000069520966 441962244 /nfs/dbraw/zinc/96/22/44/441962244.db2.gz MAOLDFMFYRIYQD-KRWDZBQOSA-N 1 2 331.416 1.302 20 30 EDEDLO Cc1noc(CN2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)n1 ZINC000125325361 442010107 /nfs/dbraw/zinc/01/01/07/442010107.db2.gz VAQJNENNGQLQQF-UHFFFAOYSA-N 1 2 337.387 1.215 20 30 EDEDLO Cc1cc(NC(=O)[C@@H](C)O[NH+]=C(N)CCO)ccc1Br ZINC000121393018 442211782 /nfs/dbraw/zinc/21/17/82/442211782.db2.gz MTIXSXXACXACJW-SECBINFHSA-N 1 2 344.209 1.756 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cn1 ZINC000166123761 442214495 /nfs/dbraw/zinc/21/44/95/442214495.db2.gz GYOYCHSBAANMBL-CQSZACIVSA-N 1 2 343.412 1.296 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)cn1 ZINC000176919432 442273192 /nfs/dbraw/zinc/27/31/92/442273192.db2.gz FJJTYWRJLDUGDK-UHFFFAOYSA-N 1 2 327.432 1.524 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000170887012 442283771 /nfs/dbraw/zinc/28/37/71/442283771.db2.gz CIPGWHIAFIYVEH-INIZCTEOSA-N 1 2 349.479 1.408 20 30 EDEDLO CC1(O)CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000177335657 442329580 /nfs/dbraw/zinc/32/95/80/442329580.db2.gz VAQMGNFNUIFZKA-UHFFFAOYSA-N 1 2 339.399 1.529 20 30 EDEDLO Cc1cccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)c1C#N ZINC000134099484 442450649 /nfs/dbraw/zinc/45/06/49/442450649.db2.gz PNDKIXTXSGOXIC-UHFFFAOYSA-N 1 2 349.456 1.352 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000186297256 442506295 /nfs/dbraw/zinc/50/62/95/442506295.db2.gz UEPDXUVSOUOYDV-CABCVRRESA-N 1 2 326.444 1.904 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000186297256 442506300 /nfs/dbraw/zinc/50/63/00/442506300.db2.gz UEPDXUVSOUOYDV-CABCVRRESA-N 1 2 326.444 1.904 20 30 EDEDLO COc1ccc(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)cc1C#N ZINC000134950826 442540520 /nfs/dbraw/zinc/54/05/20/442540520.db2.gz BEUOYXPNGFETQV-AWEZNQCLSA-N 1 2 342.443 1.352 20 30 EDEDLO COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1C#N ZINC000134950826 442540524 /nfs/dbraw/zinc/54/05/24/442540524.db2.gz BEUOYXPNGFETQV-AWEZNQCLSA-N 1 2 342.443 1.352 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000180177640 442554512 /nfs/dbraw/zinc/55/45/12/442554512.db2.gz KCGYAUZDRNDIAX-AWEZNQCLSA-N 1 2 332.473 1.748 20 30 EDEDLO C#CC[N@@H+](CCC(=O)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000135184708 442566028 /nfs/dbraw/zinc/56/60/28/442566028.db2.gz SDHCMEFTQURXEP-MRXNPFEDSA-N 1 2 334.441 1.162 20 30 EDEDLO C#CC[N@H+](CCC(=O)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000135184708 442566031 /nfs/dbraw/zinc/56/60/31/442566031.db2.gz SDHCMEFTQURXEP-MRXNPFEDSA-N 1 2 334.441 1.162 20 30 EDEDLO C[C@H]1C(=O)N(C)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000186993798 442642138 /nfs/dbraw/zinc/64/21/38/442642138.db2.gz UQEVJIIKKKHKKS-NSHDSACASA-N 1 2 346.456 1.600 20 30 EDEDLO C[C@H]1C(=O)N(C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000186993798 442642140 /nfs/dbraw/zinc/64/21/40/442642140.db2.gz UQEVJIIKKKHKKS-NSHDSACASA-N 1 2 346.456 1.600 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NC3(C#N)CCCCC3)[C@@H]2C1 ZINC000158144474 442649356 /nfs/dbraw/zinc/64/93/56/442649356.db2.gz AZXQKOZLZJBLAJ-BZUAXINKSA-N 1 2 335.448 1.597 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)[C@@H]2C1 ZINC000158144474 442649360 /nfs/dbraw/zinc/64/93/60/442649360.db2.gz AZXQKOZLZJBLAJ-BZUAXINKSA-N 1 2 335.448 1.597 20 30 EDEDLO C=CCNc1ncc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)s1 ZINC000136116549 442651374 /nfs/dbraw/zinc/65/13/74/442651374.db2.gz ZGDFFMGVQONIIE-ZDUSSCGKSA-N 1 2 338.477 1.828 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000192222523 442616916 /nfs/dbraw/zinc/61/69/16/442616916.db2.gz ILEBMMPMCVVQTO-UHFFFAOYSA-N 1 2 328.412 1.908 20 30 EDEDLO C#CC[N@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000192222523 442616918 /nfs/dbraw/zinc/61/69/18/442616918.db2.gz ILEBMMPMCVVQTO-UHFFFAOYSA-N 1 2 328.412 1.908 20 30 EDEDLO C=C(C)C[N@@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000181327286 442690794 /nfs/dbraw/zinc/69/07/94/442690794.db2.gz GDCQHJXNGHOPPQ-HNNXBMFYSA-N 1 2 328.478 1.453 20 30 EDEDLO C=C(C)C[N@H+](C)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000181327286 442690795 /nfs/dbraw/zinc/69/07/95/442690795.db2.gz GDCQHJXNGHOPPQ-HNNXBMFYSA-N 1 2 328.478 1.453 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC(NC(=O)C2CC2)C1 ZINC000187982927 442701761 /nfs/dbraw/zinc/70/17/61/442701761.db2.gz QABDABHZAPKZSI-KRWDZBQOSA-N 1 2 330.428 1.365 20 30 EDEDLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n[nH]1 ZINC000187256862 442664375 /nfs/dbraw/zinc/66/43/75/442664375.db2.gz IGVRPZWNKKPXBU-OAHLLOKOSA-N 1 2 344.463 1.571 20 30 EDEDLO Cc1cc(N2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)n[nH]1 ZINC000187271174 442665769 /nfs/dbraw/zinc/66/57/69/442665769.db2.gz SBISSLDPRMCFMO-UHFFFAOYSA-N 1 2 349.398 1.962 20 30 EDEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3nnc(C)n3C)cn2)n1 ZINC000181883053 442720408 /nfs/dbraw/zinc/72/04/08/442720408.db2.gz ALRJQOWBXFQSLY-UHFFFAOYSA-N 1 2 340.391 1.158 20 30 EDEDLO C=CCNC(=O)CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000181652915 442708582 /nfs/dbraw/zinc/70/85/82/442708582.db2.gz IMSGEAZJVPDYHH-INIZCTEOSA-N 1 2 333.407 1.599 20 30 EDEDLO C=CCNC(=O)CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000181652915 442708583 /nfs/dbraw/zinc/70/85/83/442708583.db2.gz IMSGEAZJVPDYHH-INIZCTEOSA-N 1 2 333.407 1.599 20 30 EDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000188786997 442813380 /nfs/dbraw/zinc/81/33/80/442813380.db2.gz DISKUIQOHJVORA-DLBZAZTESA-N 1 2 332.400 1.867 20 30 EDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000188786997 442813381 /nfs/dbraw/zinc/81/33/81/442813381.db2.gz DISKUIQOHJVORA-DLBZAZTESA-N 1 2 332.400 1.867 20 30 EDEDLO CCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(C#N)c1CC ZINC000268190968 442891461 /nfs/dbraw/zinc/89/14/61/442891461.db2.gz MSQSBWFBMRNTNK-GUYCJALGSA-N 1 2 329.448 1.630 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(C[C@@H](C)O)CC1 ZINC000189354426 442927209 /nfs/dbraw/zinc/92/72/09/442927209.db2.gz WAKALCAHABQKFC-AEFFLSMTSA-N 1 2 334.460 1.153 20 30 EDEDLO C[C@H](c1nccs1)N1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000184584100 443044565 /nfs/dbraw/zinc/04/45/65/443044565.db2.gz FQAWLVIDIHRIOF-ZIAGYGMSSA-N 1 2 335.477 1.582 20 30 EDEDLO CCc1nnc(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000190670488 443161643 /nfs/dbraw/zinc/16/16/43/443161643.db2.gz RQNXZGNQPIDFHD-KRWDZBQOSA-N 1 2 332.452 1.601 20 30 EDEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)n1 ZINC000190670488 443161646 /nfs/dbraw/zinc/16/16/46/443161646.db2.gz RQNXZGNQPIDFHD-KRWDZBQOSA-N 1 2 332.452 1.601 20 30 EDEDLO CCc1nc(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)n[nH]1 ZINC000190670488 443161649 /nfs/dbraw/zinc/16/16/49/443161649.db2.gz RQNXZGNQPIDFHD-KRWDZBQOSA-N 1 2 332.452 1.601 20 30 EDEDLO CC#CCCCC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000185471774 443204979 /nfs/dbraw/zinc/20/49/79/443204979.db2.gz XLNZHTGXYVYBMT-INIZCTEOSA-N 1 2 333.476 1.772 20 30 EDEDLO C=CCN(CCOC)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000190914489 443208782 /nfs/dbraw/zinc/20/87/82/443208782.db2.gz YNISYCNMASRWFK-UHFFFAOYSA-N 1 2 334.420 1.262 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000266862487 443271369 /nfs/dbraw/zinc/27/13/69/443271369.db2.gz KTNZSTXYGHGUMR-AWEZNQCLSA-N 1 2 327.306 1.174 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000266862487 443271372 /nfs/dbraw/zinc/27/13/72/443271372.db2.gz KTNZSTXYGHGUMR-AWEZNQCLSA-N 1 2 327.306 1.174 20 30 EDEDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185926470 443285107 /nfs/dbraw/zinc/28/51/07/443285107.db2.gz GZJPKYYDIANMSB-INIZCTEOSA-N 1 2 334.807 1.880 20 30 EDEDLO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185926470 443285110 /nfs/dbraw/zinc/28/51/10/443285110.db2.gz GZJPKYYDIANMSB-INIZCTEOSA-N 1 2 334.807 1.880 20 30 EDEDLO N#Cc1cnc2ccc(Cl)cc2c1NC[C@H](O)C[NH+]1CCOCC1 ZINC000269344788 443288146 /nfs/dbraw/zinc/28/81/46/443288146.db2.gz HYTWOIGFQHQDFD-AWEZNQCLSA-N 1 2 346.818 1.865 20 30 EDEDLO C#CC[N@@H+](CC)CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000266924622 443291982 /nfs/dbraw/zinc/29/19/82/443291982.db2.gz NBYYRGFLCAANLP-QGZVFWFLSA-N 1 2 341.411 1.813 20 30 EDEDLO C#CC[N@H+](CC)CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000266924622 443291987 /nfs/dbraw/zinc/29/19/87/443291987.db2.gz NBYYRGFLCAANLP-QGZVFWFLSA-N 1 2 341.411 1.813 20 30 EDEDLO C#CC[N@@H+](CC)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000266924622 443291989 /nfs/dbraw/zinc/29/19/89/443291989.db2.gz NBYYRGFLCAANLP-QGZVFWFLSA-N 1 2 341.411 1.813 20 30 EDEDLO C#CC[N@H+](CC)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000266924622 443291990 /nfs/dbraw/zinc/29/19/90/443291990.db2.gz NBYYRGFLCAANLP-QGZVFWFLSA-N 1 2 341.411 1.813 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000264462437 443300768 /nfs/dbraw/zinc/30/07/68/443300768.db2.gz RVBXUDAFXLCJIJ-HUUCEWRRSA-N 1 2 330.432 1.078 20 30 EDEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCc1nnnn1CC(F)(F)F ZINC000191493215 443302278 /nfs/dbraw/zinc/30/22/78/443302278.db2.gz PFYFCZLSCMICLI-UHFFFAOYSA-N 1 2 348.716 1.920 20 30 EDEDLO COCCOc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000269377012 443297221 /nfs/dbraw/zinc/29/72/21/443297221.db2.gz WDNKUPWVESHVIR-UHFFFAOYSA-N 1 2 347.459 1.760 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000278601078 443374146 /nfs/dbraw/zinc/37/41/46/443374146.db2.gz VCLDLCXWZPTIMU-GUDVDZBRSA-N 1 2 344.455 1.985 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000278601078 443374148 /nfs/dbraw/zinc/37/41/48/443374148.db2.gz VCLDLCXWZPTIMU-GUDVDZBRSA-N 1 2 344.455 1.985 20 30 EDEDLO C[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000269646904 443378198 /nfs/dbraw/zinc/37/81/98/443378198.db2.gz HVNIWCBCSIDYPV-CABCVRRESA-N 1 2 342.443 1.956 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269627990 443370470 /nfs/dbraw/zinc/37/04/70/443370470.db2.gz FCUWJEIFVYPIBG-CQSZACIVSA-N 1 2 328.416 1.567 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000278779070 443435924 /nfs/dbraw/zinc/43/59/24/443435924.db2.gz HHCMTVCWIJLZSB-IBGZPJMESA-N 1 2 348.443 1.341 20 30 EDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1c(C#N)cnc2ccccc21 ZINC000267506497 443479810 /nfs/dbraw/zinc/47/98/10/443479810.db2.gz AKIZMKZXUDUNCK-HNNXBMFYSA-N 1 2 326.400 1.236 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1)OCC ZINC000270225614 443464133 /nfs/dbraw/zinc/46/41/33/443464133.db2.gz UMOUKWPWKITAGA-UONOGXRCSA-N 1 2 325.478 1.993 20 30 EDEDLO N#Cc1cc(Br)ccc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000278866248 443466759 /nfs/dbraw/zinc/46/67/59/443466759.db2.gz YVOOCZYTPGFQSQ-UHFFFAOYSA-N 1 2 337.221 1.555 20 30 EDEDLO N#Cc1cc(Br)ccc1NCCC[N@H+]1CCNC(=O)C1 ZINC000278866248 443466761 /nfs/dbraw/zinc/46/67/61/443466761.db2.gz YVOOCZYTPGFQSQ-UHFFFAOYSA-N 1 2 337.221 1.555 20 30 EDEDLO COCC[NH+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279081540 443510747 /nfs/dbraw/zinc/51/07/47/443510747.db2.gz RDQAYEOCGRZKED-UHFFFAOYSA-N 1 2 340.383 1.617 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC[C@@H]2CCCO2)c1 ZINC000265091728 443529979 /nfs/dbraw/zinc/52/99/79/443529979.db2.gz AIQPFLZVEMIJMU-PBHICJAKSA-N 1 2 343.427 1.222 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)NC[C@@H]2CCCO2)c1 ZINC000265091728 443529981 /nfs/dbraw/zinc/52/99/81/443529981.db2.gz AIQPFLZVEMIJMU-PBHICJAKSA-N 1 2 343.427 1.222 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000279340754 443559484 /nfs/dbraw/zinc/55/94/84/443559484.db2.gz QAQHANIHZGNOCT-GJZGRUSLSA-N 1 2 331.416 1.505 20 30 EDEDLO CC[N@H+](CC(=O)OC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279416697 443583470 /nfs/dbraw/zinc/58/34/70/443583470.db2.gz OMOGKUZARHYHOC-UHFFFAOYSA-N 1 2 327.388 1.854 20 30 EDEDLO CC[N@@H+](CC(=O)OC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279416697 443583474 /nfs/dbraw/zinc/58/34/74/443583474.db2.gz OMOGKUZARHYHOC-UHFFFAOYSA-N 1 2 327.388 1.854 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1cnc(C#N)cn1 ZINC000275839499 443644153 /nfs/dbraw/zinc/64/41/53/443644153.db2.gz VXDBJPKZGIYSEB-WFASDCNBSA-N 1 2 329.383 1.131 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1cnc(C#N)cn1 ZINC000275839499 443644158 /nfs/dbraw/zinc/64/41/58/443644158.db2.gz VXDBJPKZGIYSEB-WFASDCNBSA-N 1 2 329.383 1.131 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000280057323 443663122 /nfs/dbraw/zinc/66/31/22/443663122.db2.gz ARBAUIWJONVJMG-ZMSDIMECSA-N 1 2 330.432 1.491 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000280057323 443663125 /nfs/dbraw/zinc/66/31/25/443663125.db2.gz ARBAUIWJONVJMG-ZMSDIMECSA-N 1 2 330.432 1.491 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000625519248 450405599 /nfs/dbraw/zinc/40/55/99/450405599.db2.gz CKOAWVKPXZLMQN-UHFFFAOYSA-N 1 2 339.480 1.274 20 30 EDEDLO C=C[C@@H](CO)NC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000290922357 443712383 /nfs/dbraw/zinc/71/23/83/443712383.db2.gz FKWLJQWKWIQUCO-KBPBESRZSA-N 1 2 339.461 1.276 20 30 EDEDLO CC(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000298201583 443719262 /nfs/dbraw/zinc/71/92/62/443719262.db2.gz KRJDFWOTBGVYAT-MRXNPFEDSA-N 1 2 331.416 1.098 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NCc2cccc(C#N)c2)C1 ZINC000276484206 443721409 /nfs/dbraw/zinc/72/14/09/443721409.db2.gz OHKIXBXVAHDGHU-GOSISDBHSA-N 1 2 342.443 1.810 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NCc2cccc(C#N)c2)C1 ZINC000276484206 443721416 /nfs/dbraw/zinc/72/14/16/443721416.db2.gz OHKIXBXVAHDGHU-GOSISDBHSA-N 1 2 342.443 1.810 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)N(CCC#N)c1ccccc1)CCO2 ZINC000280546326 443736536 /nfs/dbraw/zinc/73/65/36/443736536.db2.gz UAQBFTQBFNHFDM-APWZRJJASA-N 1 2 343.427 1.813 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)CCO2 ZINC000280546326 443736537 /nfs/dbraw/zinc/73/65/37/443736537.db2.gz UAQBFTQBFNHFDM-APWZRJJASA-N 1 2 343.427 1.813 20 30 EDEDLO CO/N=C/c1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000287307499 443740284 /nfs/dbraw/zinc/74/02/84/443740284.db2.gz LRTDDXVRKRPCLH-CVAGBXBRSA-N 1 2 331.416 1.602 20 30 EDEDLO CC(C)(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000298296991 443741148 /nfs/dbraw/zinc/74/11/48/443741148.db2.gz IYPWFDDXJOMJTB-MRXNPFEDSA-N 1 2 345.443 1.488 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000284647699 443783299 /nfs/dbraw/zinc/78/32/99/443783299.db2.gz PFFRXHNEJWDHTC-OWCLPIDISA-N 1 2 327.388 1.480 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000284647699 443783300 /nfs/dbraw/zinc/78/33/00/443783300.db2.gz PFFRXHNEJWDHTC-OWCLPIDISA-N 1 2 327.388 1.480 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc(C#N)nc1 ZINC000288032727 443765129 /nfs/dbraw/zinc/76/51/29/443765129.db2.gz ARBRXTOGLRSODP-GUYCJALGSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccc(C#N)nc1 ZINC000288032727 443765133 /nfs/dbraw/zinc/76/51/33/443765133.db2.gz ARBRXTOGLRSODP-GUYCJALGSA-N 1 2 328.395 1.736 20 30 EDEDLO C=C(C)CS(=O)(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000284406031 443773968 /nfs/dbraw/zinc/77/39/68/443773968.db2.gz BFITVFNLTQIRJT-CQSZACIVSA-N 1 2 327.450 1.866 20 30 EDEDLO Cc1nsc(N2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)c1C#N ZINC000292131498 443777461 /nfs/dbraw/zinc/77/74/61/443777461.db2.gz SMYVJWWQYUKXNR-NSCUHMNNSA-N 1 2 328.401 1.408 20 30 EDEDLO CC(C)c1ccc(OCCNC(=O)CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284612991 443780675 /nfs/dbraw/zinc/78/06/75/443780675.db2.gz ZDMNSBRQJAOIGE-MRXNPFEDSA-N 1 2 349.431 1.773 20 30 EDEDLO C#CCNC(=O)c1ccccc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000298621188 443819394 /nfs/dbraw/zinc/81/93/94/443819394.db2.gz SOWIALNRFBFIJU-UHFFFAOYSA-N 1 2 349.381 1.965 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)Cn2c(C)[nH+]c3ccccc32)C1=O ZINC000281345369 443885405 /nfs/dbraw/zinc/88/54/05/443885405.db2.gz LUPSBNPKYKPURD-MRXNPFEDSA-N 1 2 326.400 1.590 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000281399518 443900556 /nfs/dbraw/zinc/90/05/56/443900556.db2.gz MKTNFZVSTCQIJP-QFBILLFUSA-N 1 2 344.459 1.301 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CC)Cc2cccc(F)c2)C1=O ZINC000281384336 443896174 /nfs/dbraw/zinc/89/61/74/443896174.db2.gz PKDHLUUFAPGZDB-KRWDZBQOSA-N 1 2 347.434 1.893 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CC)Cc2cccc(F)c2)C1=O ZINC000281384336 443896178 /nfs/dbraw/zinc/89/61/78/443896178.db2.gz PKDHLUUFAPGZDB-KRWDZBQOSA-N 1 2 347.434 1.893 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000285444667 443986548 /nfs/dbraw/zinc/98/65/48/443986548.db2.gz PSFHMONMIFTLNS-GAXBVXIKSA-N 1 2 326.418 1.625 20 30 EDEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000285459972 443993169 /nfs/dbraw/zinc/99/31/69/443993169.db2.gz JPJZUDWGZGEVSI-VQIMIIECSA-N 1 2 345.443 1.510 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2sccc2Cl)CC1 ZINC000285359959 443956025 /nfs/dbraw/zinc/95/60/25/443956025.db2.gz LVWBOOWYKSCMQN-UHFFFAOYSA-N 1 2 339.848 1.299 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2sccc2Cl)CC1 ZINC000285359959 443956027 /nfs/dbraw/zinc/95/60/27/443956027.db2.gz LVWBOOWYKSCMQN-UHFFFAOYSA-N 1 2 339.848 1.299 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000299315248 444015363 /nfs/dbraw/zinc/01/53/63/444015363.db2.gz ANKDJQAOHDCKNV-UHFFFAOYSA-N 1 2 337.362 1.701 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285550938 444025589 /nfs/dbraw/zinc/02/55/89/444025589.db2.gz IPGBMJRSNTWNHO-UHFFFAOYSA-N 1 2 328.416 1.499 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3csc(CC)n3)CC2)C1=O ZINC000281871543 444028713 /nfs/dbraw/zinc/02/87/13/444028713.db2.gz CJHAZMJMAIOZOS-OAHLLOKOSA-N 1 2 334.489 1.610 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2noc3c2CCCC3)nc1 ZINC000563010423 321087613 /nfs/dbraw/zinc/08/76/13/321087613.db2.gz GRBJIEHILAXUHC-UHFFFAOYSA-N 1 2 346.412 1.384 20 30 EDEDLO N#Cc1cccc2c1CCN2C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000564817531 321149041 /nfs/dbraw/zinc/14/90/41/321149041.db2.gz IHEVWGRSGBMKGQ-UHFFFAOYSA-N 1 2 348.406 1.988 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)C(=O)Nc2cccc(C#N)n2)CC1(C)C ZINC000567832667 321260121 /nfs/dbraw/zinc/26/01/21/321260121.db2.gz JBDKZBPXJCDVSI-CYBMUJFWSA-N 1 2 338.371 1.235 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C[C@@H]21 ZINC000285804273 444113077 /nfs/dbraw/zinc/11/30/77/444113077.db2.gz MXGLBAPICIFDFU-DLBZAZTESA-N 1 2 345.418 1.906 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C[C@@H]21 ZINC000285804273 444113081 /nfs/dbraw/zinc/11/30/81/444113081.db2.gz MXGLBAPICIFDFU-DLBZAZTESA-N 1 2 345.418 1.906 20 30 EDEDLO CO[C@@H](Cc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000294368236 444114183 /nfs/dbraw/zinc/11/41/83/444114183.db2.gz BEJSQAKPYUTLLK-SFHVURJKSA-N 1 2 345.443 1.319 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)C(C)C ZINC000282355596 444155776 /nfs/dbraw/zinc/15/57/76/444155776.db2.gz VUBGWACNUTZPBB-HOCLYGCPSA-N 1 2 330.432 1.764 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289491069 444157628 /nfs/dbraw/zinc/15/76/28/444157628.db2.gz SOYKJYQEJSQRBR-WCQYABFASA-N 1 2 340.387 1.176 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289491069 444157631 /nfs/dbraw/zinc/15/76/31/444157631.db2.gz SOYKJYQEJSQRBR-WCQYABFASA-N 1 2 340.387 1.176 20 30 EDEDLO CN(CC[NH+]1CCOCC1)c1ncc(Br)cc1C#N ZINC000295577734 444189621 /nfs/dbraw/zinc/18/96/21/444189621.db2.gz RUWOMLJINJMWRT-UHFFFAOYSA-N 1 2 325.210 1.484 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCOC[C@H](O)C1 ZINC000295608956 444190623 /nfs/dbraw/zinc/19/06/23/444190623.db2.gz NQGDKRCJVSVWRV-LSDHHAIUSA-N 1 2 347.415 1.023 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCOC[C@H](O)C1 ZINC000295608956 444190624 /nfs/dbraw/zinc/19/06/24/444190624.db2.gz NQGDKRCJVSVWRV-LSDHHAIUSA-N 1 2 347.415 1.023 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000290272586 444261268 /nfs/dbraw/zinc/26/12/68/444261268.db2.gz AHSORBQHXXSXPD-MRXNPFEDSA-N 1 2 344.459 1.981 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCCN(C=O)CC1 ZINC000297714472 444323046 /nfs/dbraw/zinc/32/30/46/444323046.db2.gz RIMDDAMWMMQJHE-HNNXBMFYSA-N 1 2 346.406 1.625 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCCN(C=O)CC1 ZINC000297714472 444323049 /nfs/dbraw/zinc/32/30/49/444323049.db2.gz RIMDDAMWMMQJHE-HNNXBMFYSA-N 1 2 346.406 1.625 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1)CCC2 ZINC000328855613 444376114 /nfs/dbraw/zinc/37/61/14/444376114.db2.gz XRKLBNCGPOWUIZ-QWHCGFSZSA-N 1 2 340.449 1.102 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340198910 444370045 /nfs/dbraw/zinc/37/00/45/444370045.db2.gz DHVPYIWONLTNOB-OCCSQVGLSA-N 1 2 346.353 1.420 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340198910 444370049 /nfs/dbraw/zinc/37/00/49/444370049.db2.gz DHVPYIWONLTNOB-OCCSQVGLSA-N 1 2 346.353 1.420 20 30 EDEDLO COCc1csc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328940968 444413546 /nfs/dbraw/zinc/41/35/46/444413546.db2.gz FEVMCDVVDHOTGR-NWDGAFQWSA-N 1 2 326.422 1.240 20 30 EDEDLO COCc1csc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328940968 444413548 /nfs/dbraw/zinc/41/35/48/444413548.db2.gz FEVMCDVVDHOTGR-NWDGAFQWSA-N 1 2 326.422 1.240 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)CSCC(=O)N2CCCCC2)C1 ZINC000328668146 444421585 /nfs/dbraw/zinc/42/15/85/444421585.db2.gz DNRUGJPQJFMUET-CYBMUJFWSA-N 1 2 329.466 1.019 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)CSCC(=O)N2CCCCC2)C1 ZINC000328668146 444421586 /nfs/dbraw/zinc/42/15/86/444421586.db2.gz DNRUGJPQJFMUET-CYBMUJFWSA-N 1 2 329.466 1.019 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC(=O)NC34CCC4)C[C@H]21 ZINC000328877082 444385542 /nfs/dbraw/zinc/38/55/42/444385542.db2.gz KKODVACNYZWHIA-MGPQQGTHSA-N 1 2 336.436 1.347 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC(=O)NC34CCC4)C[C@H]21 ZINC000328877082 444385546 /nfs/dbraw/zinc/38/55/46/444385546.db2.gz KKODVACNYZWHIA-MGPQQGTHSA-N 1 2 336.436 1.347 20 30 EDEDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc(C#N)s2)C[C@@H](C)O1 ZINC000331215138 444446692 /nfs/dbraw/zinc/44/66/92/444446692.db2.gz CJUWBBIJLFZWAM-VXGBXAGGSA-N 1 2 343.474 1.397 20 30 EDEDLO CC(C)C[C@@H](CNC(=O)c1cnc2n[nH]nc2c1)[NH+]1CCOCC1 ZINC000329134628 444480608 /nfs/dbraw/zinc/48/06/08/444480608.db2.gz ZTCFKCVIZCFFCQ-ZDUSSCGKSA-N 1 2 332.408 1.404 20 30 EDEDLO COC[C@@H]1CN(C([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)CC(C)(C)O1 ZINC000329207003 444501310 /nfs/dbraw/zinc/50/13/10/444501310.db2.gz FAXMEOQMMVQMOD-KGLIPLIRSA-N 1 2 336.436 1.485 20 30 EDEDLO Cc1noc([C@@H]2CCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000329217648 444504167 /nfs/dbraw/zinc/50/41/67/444504167.db2.gz QNEOHYKSCHAGQT-ZDUSSCGKSA-N 1 2 337.424 1.540 20 30 EDEDLO Cc1noc([C@H]2CCCN2C(=O)NCC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000329265683 444516246 /nfs/dbraw/zinc/51/62/46/444516246.db2.gz HDYRKGRWTQJHBS-CYBMUJFWSA-N 1 2 337.424 1.540 20 30 EDEDLO Cc1noc([C@H]2CCCN2C(=O)NCC[N@H+]2CCOC(C)(C)C2)n1 ZINC000329265683 444516248 /nfs/dbraw/zinc/51/62/48/444516248.db2.gz HDYRKGRWTQJHBS-CYBMUJFWSA-N 1 2 337.424 1.540 20 30 EDEDLO C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000340915317 444573708 /nfs/dbraw/zinc/57/37/08/444573708.db2.gz ISBYKRHHMCJUMD-IUODEOHRSA-N 1 2 325.372 1.138 20 30 EDEDLO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000340915317 444573711 /nfs/dbraw/zinc/57/37/11/444573711.db2.gz ISBYKRHHMCJUMD-IUODEOHRSA-N 1 2 325.372 1.138 20 30 EDEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NCC1(c2ccccc2)CC1 ZINC000329430160 444575755 /nfs/dbraw/zinc/57/57/55/444575755.db2.gz JZYFTMWLOYUDTR-AWEZNQCLSA-N 1 2 342.399 1.751 20 30 EDEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NCC1(c2ccccc2)CC1 ZINC000329430160 444575759 /nfs/dbraw/zinc/57/57/59/444575759.db2.gz JZYFTMWLOYUDTR-AWEZNQCLSA-N 1 2 342.399 1.751 20 30 EDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1COCCN1CC(F)(F)F ZINC000329536118 444619343 /nfs/dbraw/zinc/61/93/43/444619343.db2.gz LUMDJWSAXOBYEP-SKDRFNHKSA-N 1 2 332.326 1.487 20 30 EDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1COCCN1CC(F)(F)F ZINC000329536118 444619348 /nfs/dbraw/zinc/61/93/48/444619348.db2.gz LUMDJWSAXOBYEP-SKDRFNHKSA-N 1 2 332.326 1.487 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2CN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)CC[C@@H]21 ZINC000329618955 444651755 /nfs/dbraw/zinc/65/17/55/444651755.db2.gz QRZSDUOFQUHOEB-GLQYFDAESA-N 1 2 346.435 1.262 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2CN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)CC[C@@H]21 ZINC000329618955 444651759 /nfs/dbraw/zinc/65/17/59/444651759.db2.gz QRZSDUOFQUHOEB-GLQYFDAESA-N 1 2 346.435 1.262 20 30 EDEDLO Cc1cc(C)n(CC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(=O)n1 ZINC000329625878 444654996 /nfs/dbraw/zinc/65/49/96/444654996.db2.gz OSFOGDIIKRSNKD-UHFFFAOYSA-N 1 2 341.415 1.881 20 30 EDEDLO Cn1[nH]c(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)nc1=O ZINC000329634215 444658722 /nfs/dbraw/zinc/65/87/22/444658722.db2.gz XLYVMYCBVPQKAP-UHFFFAOYSA-N 1 2 331.376 1.314 20 30 EDEDLO Cn1cc([C@]2(C)CN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)CCO2)cn1 ZINC000329642625 444662188 /nfs/dbraw/zinc/66/21/88/444662188.db2.gz CYBPDGFPJBQJLH-GUYCJALGSA-N 1 2 344.419 1.162 20 30 EDEDLO Cn1cc([C@]2(C)CN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)CCO2)cn1 ZINC000329642625 444662192 /nfs/dbraw/zinc/66/21/92/444662192.db2.gz CYBPDGFPJBQJLH-GUYCJALGSA-N 1 2 344.419 1.162 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000342372385 444662189 /nfs/dbraw/zinc/66/21/89/444662189.db2.gz MQUBPUCBQWRRNT-WMZOPIPTSA-N 1 2 327.384 1.374 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000342372385 444662196 /nfs/dbraw/zinc/66/21/96/444662196.db2.gz MQUBPUCBQWRRNT-WMZOPIPTSA-N 1 2 327.384 1.374 20 30 EDEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCCS1 ZINC000329662770 444670957 /nfs/dbraw/zinc/67/09/57/444670957.db2.gz PNYAYLCXXJNBKW-KBPBESRZSA-N 1 2 341.477 1.162 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329681664 444677795 /nfs/dbraw/zinc/67/77/95/444677795.db2.gz RYXQOCFOCFUCQS-JSGCOSHPSA-N 1 2 333.388 1.408 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329681664 444677799 /nfs/dbraw/zinc/67/77/99/444677799.db2.gz RYXQOCFOCFUCQS-JSGCOSHPSA-N 1 2 333.388 1.408 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329588949 444640273 /nfs/dbraw/zinc/64/02/73/444640273.db2.gz XXBVFZRTNXMETM-CABCVRRESA-N 1 2 335.452 2.120 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329747194 444699958 /nfs/dbraw/zinc/69/99/58/444699958.db2.gz ZHNNBDSOOLVYLC-ILXRZTDVSA-N 1 2 325.453 1.511 20 30 EDEDLO [O-]C(NC[C@H]1CCc2[nH+]ccn2C1)=[NH+]c1ccc(C(F)(F)F)nn1 ZINC000329831272 444733568 /nfs/dbraw/zinc/73/35/68/444733568.db2.gz KMXQRWUAQLNUKC-SECBINFHSA-N 1 2 340.309 2.280 20 30 EDEDLO CC[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC[N@@H+]1C[C@@H](C)O ZINC000329721576 444692204 /nfs/dbraw/zinc/69/22/04/444692204.db2.gz BZXMQSGWOIJARW-BPLDGKMQSA-N 1 2 335.452 1.478 20 30 EDEDLO CC[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC[N@H+]1C[C@@H](C)O ZINC000329721576 444692209 /nfs/dbraw/zinc/69/22/09/444692209.db2.gz BZXMQSGWOIJARW-BPLDGKMQSA-N 1 2 335.452 1.478 20 30 EDEDLO CN(C(=O)CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000329722809 444692422 /nfs/dbraw/zinc/69/24/22/444692422.db2.gz NLMWIVYMNUCLSS-GFCCVEGCSA-N 1 2 333.436 1.562 20 30 EDEDLO CN(C(=O)CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000329722809 444692428 /nfs/dbraw/zinc/69/24/28/444692428.db2.gz NLMWIVYMNUCLSS-GFCCVEGCSA-N 1 2 333.436 1.562 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CCN1C ZINC000329951674 444783386 /nfs/dbraw/zinc/78/33/86/444783386.db2.gz IHMHOQDTZBQKAZ-PMPSAXMXSA-N 1 2 347.463 1.580 20 30 EDEDLO C[C@@H]1CN(c2ccc(NC(=O)[C@H]3C[N@H+](C)CCO3)cn2)C[C@H](C)O1 ZINC000329884146 444752256 /nfs/dbraw/zinc/75/22/56/444752256.db2.gz SAIJPJXGNRMYAP-VNHYZAJKSA-N 1 2 334.420 1.614 20 30 EDEDLO C[C@@H]1CN(c2ccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)cn2)C[C@H](C)O1 ZINC000329884146 444752259 /nfs/dbraw/zinc/75/22/59/444752259.db2.gz SAIJPJXGNRMYAP-VNHYZAJKSA-N 1 2 334.420 1.614 20 30 EDEDLO CCN1CCN([C@H](C)C(=O)NC[C@@H]2CCCO2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329915894 444767050 /nfs/dbraw/zinc/76/70/50/444767050.db2.gz PZJDWVCQDQPZNT-QLFBSQMISA-N 1 2 335.452 1.612 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(C)c1 ZINC000329926473 444772310 /nfs/dbraw/zinc/77/23/10/444772310.db2.gz KTKZPHWKGQDLFZ-HOTGVXAUSA-N 1 2 346.431 1.820 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(C)c1 ZINC000329926473 444772314 /nfs/dbraw/zinc/77/23/14/444772314.db2.gz KTKZPHWKGQDLFZ-HOTGVXAUSA-N 1 2 346.431 1.820 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C)c1 ZINC000329926473 444772317 /nfs/dbraw/zinc/77/23/17/444772317.db2.gz KTKZPHWKGQDLFZ-HOTGVXAUSA-N 1 2 346.431 1.820 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(C)c1 ZINC000329926473 444772320 /nfs/dbraw/zinc/77/23/20/444772320.db2.gz KTKZPHWKGQDLFZ-HOTGVXAUSA-N 1 2 346.431 1.820 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338623767 444779710 /nfs/dbraw/zinc/77/97/10/444779710.db2.gz CXRPMOLNFNHHKW-OGOZQZCJSA-N 1 2 325.428 1.712 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338623767 444779713 /nfs/dbraw/zinc/77/97/13/444779713.db2.gz CXRPMOLNFNHHKW-OGOZQZCJSA-N 1 2 325.428 1.712 20 30 EDEDLO Cc1cn2cc(NC(=O)N3CCN(c4cnn(C)c4)CC3)ccc2[nH+]1 ZINC000329969625 444792926 /nfs/dbraw/zinc/79/29/26/444792926.db2.gz XLTMZUPWNCCQIO-UHFFFAOYSA-N 1 2 339.403 1.744 20 30 EDEDLO Cn1nccc1N1CCC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329972902 444794891 /nfs/dbraw/zinc/79/48/91/444794891.db2.gz YJRTUNYFNZWKHL-OAHLLOKOSA-N 1 2 347.463 1.600 20 30 EDEDLO CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C1=O ZINC000330028210 444817324 /nfs/dbraw/zinc/81/73/24/444817324.db2.gz OCGPRIMSMVMNPV-GJZGRUSLSA-N 1 2 329.400 1.753 20 30 EDEDLO CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C1=O ZINC000330028210 444817328 /nfs/dbraw/zinc/81/73/28/444817328.db2.gz OCGPRIMSMVMNPV-GJZGRUSLSA-N 1 2 329.400 1.753 20 30 EDEDLO C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)n1cnc(C#N)n1 ZINC000336910273 444847098 /nfs/dbraw/zinc/84/70/98/444847098.db2.gz WXVXAXJJSZFMMY-LLVKDONJSA-N 1 2 339.334 1.352 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCOC[C@H](C2CCC2)C1 ZINC000330168387 444870476 /nfs/dbraw/zinc/87/04/76/444870476.db2.gz AUQVWJNWCAULPV-MRXNPFEDSA-N 1 2 339.480 1.760 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCOC[C@H](C2CCC2)C1 ZINC000330168387 444870481 /nfs/dbraw/zinc/87/04/81/444870481.db2.gz AUQVWJNWCAULPV-MRXNPFEDSA-N 1 2 339.480 1.760 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(C(C)C)nc2C)CC1 ZINC000338880221 444909804 /nfs/dbraw/zinc/90/98/04/444909804.db2.gz LSDJPNKBPPMTTE-UHFFFAOYSA-N 1 2 330.476 1.933 20 30 EDEDLO O=C1C[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CN1C1CCCCC1 ZINC000330276705 444919025 /nfs/dbraw/zinc/91/90/25/444919025.db2.gz NHHXQEFXUAYHLI-KGLIPLIRSA-N 1 2 345.447 1.635 20 30 EDEDLO O=C1C[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CN1C1CCCCC1 ZINC000330276705 444919028 /nfs/dbraw/zinc/91/90/28/444919028.db2.gz NHHXQEFXUAYHLI-KGLIPLIRSA-N 1 2 345.447 1.635 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@@H]21 ZINC000330291048 444925146 /nfs/dbraw/zinc/92/51/46/444925146.db2.gz GHCSEYKKAIIIRG-YOEHRIQHSA-N 1 2 347.415 1.451 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@@H]21 ZINC000330291048 444925148 /nfs/dbraw/zinc/92/51/48/444925148.db2.gz GHCSEYKKAIIIRG-YOEHRIQHSA-N 1 2 347.415 1.451 20 30 EDEDLO CN1CCO[C@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@@H]21 ZINC000330291048 444925151 /nfs/dbraw/zinc/92/51/51/444925151.db2.gz GHCSEYKKAIIIRG-YOEHRIQHSA-N 1 2 347.415 1.451 20 30 EDEDLO CN1CCO[C@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@@H]21 ZINC000330291048 444925152 /nfs/dbraw/zinc/92/51/52/444925152.db2.gz GHCSEYKKAIIIRG-YOEHRIQHSA-N 1 2 347.415 1.451 20 30 EDEDLO CN(C)c1noc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000337141658 444959633 /nfs/dbraw/zinc/95/96/33/444959633.db2.gz VUYQBZGYDFNZNA-UHFFFAOYSA-N 1 2 326.404 1.325 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000341707945 444961101 /nfs/dbraw/zinc/96/11/01/444961101.db2.gz SNSUJKZBOFNIKI-HNNXBMFYSA-N 1 2 328.416 1.915 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cccnn2)CC1 ZINC000330413859 444971188 /nfs/dbraw/zinc/97/11/88/444971188.db2.gz MUKFQSGMYZGOLY-RHSMWYFYSA-N 1 2 330.436 1.042 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3nccn3C(F)F)CC2)C1=O ZINC000337196628 444980653 /nfs/dbraw/zinc/98/06/53/444980653.db2.gz XPNYONJXOYRMOC-CYBMUJFWSA-N 1 2 339.390 1.183 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2ccc3nnn(C)c3c2)CCO1 ZINC000330324375 444937155 /nfs/dbraw/zinc/93/71/55/444937155.db2.gz IJVKYCSXHQLSKR-LRDDRELGSA-N 1 2 340.387 1.927 20 30 EDEDLO 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C=CCOCC(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000354068801 445885544 /nfs/dbraw/zinc/88/55/44/445885544.db2.gz SWZBWMHMTNQLDS-UHFFFAOYSA-N 1 2 342.443 1.798 20 30 EDEDLO C=CCOCC(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000354068801 445885548 /nfs/dbraw/zinc/88/55/48/445885548.db2.gz SWZBWMHMTNQLDS-UHFFFAOYSA-N 1 2 342.443 1.798 20 30 EDEDLO Cc1cn2cc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)ccc2[nH+]1 ZINC000356572393 445864793 /nfs/dbraw/zinc/86/47/93/445864793.db2.gz SJSLRYKUMCBIDF-UHFFFAOYSA-N 1 2 329.335 1.436 20 30 EDEDLO CC#CCCNC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000356711796 445957188 /nfs/dbraw/zinc/95/71/88/445957188.db2.gz VJYPEBLHUNJXRG-RHSMWYFYSA-N 1 2 330.432 1.639 20 30 EDEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc(C#N)s2)cn1 ZINC000582490371 325858138 /nfs/dbraw/zinc/85/81/38/325858138.db2.gz CRHZIKHDUSAUBJ-UHFFFAOYSA-N 1 2 340.412 1.892 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000356717244 445963789 /nfs/dbraw/zinc/96/37/89/445963789.db2.gz 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N#CC1(NC(=O)C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)CCC1 ZINC000377010581 446859253 /nfs/dbraw/zinc/85/92/53/446859253.db2.gz AIEDFVHGBPGKEB-UHFFFAOYSA-N 1 2 346.456 1.458 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)CCC1 ZINC000377010581 446859257 /nfs/dbraw/zinc/85/92/57/446859257.db2.gz AIEDFVHGBPGKEB-UHFFFAOYSA-N 1 2 346.456 1.458 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1N(CCC#N)Cc1ccccn1 ZINC000377059045 446893775 /nfs/dbraw/zinc/89/37/75/446893775.db2.gz BDLXNEIGMFDERN-AEFFLSMTSA-N 1 2 329.448 1.507 20 30 EDEDLO N#Cc1cc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1F ZINC000371531625 446917171 /nfs/dbraw/zinc/91/71/71/446917171.db2.gz GGAUXGLGRAHYAD-UHFFFAOYSA-N 1 2 348.403 1.751 20 30 EDEDLO N#CCCSCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000413014105 446987474 /nfs/dbraw/zinc/98/74/74/446987474.db2.gz PWGTZROTNDBRKO-UHFFFAOYSA-N 1 2 345.468 1.913 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413036294 446989234 /nfs/dbraw/zinc/98/92/34/446989234.db2.gz AXOPWNWVQBXSGL-AWEZNQCLSA-N 1 2 345.422 1.615 20 30 EDEDLO COC(=O)[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cccc(C#N)c1 ZINC000421203948 447063780 /nfs/dbraw/zinc/06/37/80/447063780.db2.gz QSYQLCODCHEDHI-NOLJZWGESA-N 1 2 329.400 1.654 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000377261440 447026342 /nfs/dbraw/zinc/02/63/42/447026342.db2.gz IUXDRUZZYHEYBC-UHFFFAOYSA-N 1 2 340.427 1.245 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000377261440 447026351 /nfs/dbraw/zinc/02/63/51/447026351.db2.gz IUXDRUZZYHEYBC-UHFFFAOYSA-N 1 2 340.427 1.245 20 30 EDEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)no1 ZINC000375765171 447031050 /nfs/dbraw/zinc/03/10/50/447031050.db2.gz PIEPLOVCRFMLKJ-INIZCTEOSA-N 1 2 339.399 1.746 20 30 EDEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)no1 ZINC000375765171 447031055 /nfs/dbraw/zinc/03/10/55/447031055.db2.gz PIEPLOVCRFMLKJ-INIZCTEOSA-N 1 2 339.399 1.746 20 30 EDEDLO C=CCC[C@@H](C(=O)N[C@H](CO)C[NH+]1CCOCC1)c1ccccc1 ZINC000425294262 447101238 /nfs/dbraw/zinc/10/12/38/447101238.db2.gz MMTYOSAXOQYKGV-ZWKOTPCHSA-N 1 2 332.444 1.546 20 30 EDEDLO CCNS(=O)(=O)c1cccc(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425256756 447082235 /nfs/dbraw/zinc/08/22/35/447082235.db2.gz BTCXQHQLOWHZPV-UHFFFAOYSA-N 1 2 330.413 1.594 20 30 EDEDLO Cc1cc(N[C@@H](C)CCNS(=O)(=O)c2ccccc2)c(C#N)c[nH+]1 ZINC000425258720 447084368 /nfs/dbraw/zinc/08/43/68/447084368.db2.gz WREZLJBVSFRYBW-ZDUSSCGKSA-N 1 2 344.440 1.853 20 30 EDEDLO N#CC1(C(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)CCCC1 ZINC000377452473 447140334 /nfs/dbraw/zinc/14/03/34/447140334.db2.gz ZHOISCFGWBSMLF-UHFFFAOYSA-N 1 2 344.459 1.811 20 30 EDEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000368870899 447169439 /nfs/dbraw/zinc/16/94/39/447169439.db2.gz UXMYGLPZKYFJPU-YJBOKZPZSA-N 1 2 348.447 1.937 20 30 EDEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000368870899 447169446 /nfs/dbraw/zinc/16/94/46/447169446.db2.gz UXMYGLPZKYFJPU-YJBOKZPZSA-N 1 2 348.447 1.937 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2noc(CC)n2)C1 ZINC000377501183 447169577 /nfs/dbraw/zinc/16/95/77/447169577.db2.gz HEMMBGOOJXBISJ-RYUDHWBXSA-N 1 2 335.408 1.212 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2noc(CC)n2)C1 ZINC000377501183 447169580 /nfs/dbraw/zinc/16/95/80/447169580.db2.gz HEMMBGOOJXBISJ-RYUDHWBXSA-N 1 2 335.408 1.212 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)o2)cc1 ZINC000368974585 447239364 /nfs/dbraw/zinc/23/93/64/447239364.db2.gz OHIILDFLDFIVQC-DZKIICNBSA-N 1 2 337.383 1.694 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)o2)cc1 ZINC000368974585 447239369 /nfs/dbraw/zinc/23/93/69/447239369.db2.gz OHIILDFLDFIVQC-DZKIICNBSA-N 1 2 337.383 1.694 20 30 EDEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000456004052 447283141 /nfs/dbraw/zinc/28/31/41/447283141.db2.gz WPKIPLAUKQWPGP-KRWDZBQOSA-N 1 2 326.444 1.243 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000457454832 447583421 /nfs/dbraw/zinc/58/34/21/447583421.db2.gz MONIIBJUVUULJL-ZWKOTPCHSA-N 1 2 347.459 1.514 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000457454832 447583423 /nfs/dbraw/zinc/58/34/23/447583423.db2.gz MONIIBJUVUULJL-ZWKOTPCHSA-N 1 2 347.459 1.514 20 30 EDEDLO N#Cc1cc(F)c(NC[C@@H]2C[NH+]3CCN2CC3)cc1Br ZINC000394763992 447540411 /nfs/dbraw/zinc/54/04/11/447540411.db2.gz UWUJHYLCHWHEGU-LLVKDONJSA-N 1 2 339.212 1.872 20 30 EDEDLO CC(C)[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000459381649 447648323 /nfs/dbraw/zinc/64/83/23/447648323.db2.gz CYKAUNYGTZQCRI-MRXNPFEDSA-N 1 2 346.387 1.439 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC(C)(C)[C@H]2C)CC1 ZINC000408100033 447630291 /nfs/dbraw/zinc/63/02/91/447630291.db2.gz PDYMSMLFYARELD-HZPDHXFCSA-N 1 2 336.480 1.178 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCOC(C)(C)[C@H]2C)CC1 ZINC000408100033 447630297 /nfs/dbraw/zinc/63/02/97/447630297.db2.gz PDYMSMLFYARELD-HZPDHXFCSA-N 1 2 336.480 1.178 20 30 EDEDLO C[C@H](NC(=O)CNC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000459462368 447675058 /nfs/dbraw/zinc/67/50/58/447675058.db2.gz JLIXTTOHBVEPNR-JGGQBBKZSA-N 1 2 346.406 1.401 20 30 EDEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000459463979 447675236 /nfs/dbraw/zinc/67/52/36/447675236.db2.gz LLPZLJSDRGANPE-ZBFHGGJFSA-N 1 2 328.416 1.674 20 30 EDEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000459466552 447676461 /nfs/dbraw/zinc/67/64/61/447676461.db2.gz ONJMEDAFDBXXRD-MFKMUULPSA-N 1 2 329.339 1.022 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257082 447714184 /nfs/dbraw/zinc/71/41/84/447714184.db2.gz GAWOYEDSMCRZOP-NZSAHSFTSA-N 1 2 347.434 1.841 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257082 447714188 /nfs/dbraw/zinc/71/41/88/447714188.db2.gz GAWOYEDSMCRZOP-NZSAHSFTSA-N 1 2 347.434 1.841 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000410688130 447722075 /nfs/dbraw/zinc/72/20/75/447722075.db2.gz MAZOLAQRPXNXCC-CQSZACIVSA-N 1 2 333.436 1.040 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451461684 447732973 /nfs/dbraw/zinc/73/29/73/447732973.db2.gz SDROGMVCSIPVRR-CQSZACIVSA-N 1 2 327.388 1.712 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451461684 447732979 /nfs/dbraw/zinc/73/29/79/447732979.db2.gz SDROGMVCSIPVRR-CQSZACIVSA-N 1 2 327.388 1.712 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451882840 447772362 /nfs/dbraw/zinc/77/23/62/447772362.db2.gz SPJNEDUMNKYEBF-QWHCGFSZSA-N 1 2 346.397 1.753 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451882840 447772365 /nfs/dbraw/zinc/77/23/65/447772365.db2.gz SPJNEDUMNKYEBF-QWHCGFSZSA-N 1 2 346.397 1.753 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496653376 447841487 /nfs/dbraw/zinc/84/14/87/447841487.db2.gz CASAHYWWPXNVKK-KGLIPLIRSA-N 1 2 349.435 1.975 20 30 EDEDLO C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000548951749 447857498 /nfs/dbraw/zinc/85/74/98/447857498.db2.gz JHIBCZXVEWHNOX-OAHLLOKOSA-N 1 2 340.431 1.690 20 30 EDEDLO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000523578492 447893346 /nfs/dbraw/zinc/89/33/46/447893346.db2.gz PWEPMPXFRZGEGI-UHFFFAOYSA-N 1 2 342.399 1.800 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000490830999 447897867 /nfs/dbraw/zinc/89/78/67/447897867.db2.gz OYGWYNZDIWNVDV-UHFFFAOYSA-N 1 2 341.371 1.030 20 30 EDEDLO C#CCN(CC#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000491020130 447916625 /nfs/dbraw/zinc/91/66/25/447916625.db2.gz FDKUCRCVCQQFSD-UHFFFAOYSA-N 1 2 327.384 1.047 20 30 EDEDLO C#CCN(CC#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000491020130 447916629 /nfs/dbraw/zinc/91/66/29/447916629.db2.gz FDKUCRCVCQQFSD-UHFFFAOYSA-N 1 2 327.384 1.047 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000491395604 448013369 /nfs/dbraw/zinc/01/33/69/448013369.db2.gz TZWYKGQZQUDSGC-GOSISDBHSA-N 1 2 343.427 1.062 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000570260332 447970321 /nfs/dbraw/zinc/97/03/21/447970321.db2.gz AITUSBKGKULXAI-AEFFLSMTSA-N 1 2 331.416 1.818 20 30 EDEDLO C=CCCn1cc(C(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000570274163 447974797 /nfs/dbraw/zinc/97/47/97/447974797.db2.gz FOHXQHAZPOTEDA-CQSZACIVSA-N 1 2 329.408 1.096 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC000576402613 448046342 /nfs/dbraw/zinc/04/63/42/448046342.db2.gz IXIIUJPKMKKLNJ-JRSKDTKFSA-N 1 2 336.480 1.668 20 30 EDEDLO C=C(C)CCNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497296887 448049893 /nfs/dbraw/zinc/04/98/93/448049893.db2.gz CWPMGMBFETXATP-AWEZNQCLSA-N 1 2 340.468 1.803 20 30 EDEDLO C=C(C)CCNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497296887 448049898 /nfs/dbraw/zinc/04/98/98/448049898.db2.gz CWPMGMBFETXATP-AWEZNQCLSA-N 1 2 340.468 1.803 20 30 EDEDLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(CCC#N)CC1 ZINC000576581459 448090204 /nfs/dbraw/zinc/09/02/04/448090204.db2.gz VJJKPGJCHGBHDJ-UKRRQHHQSA-N 1 2 341.477 1.036 20 30 EDEDLO C#C[C@H](CC)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000491750705 448103988 /nfs/dbraw/zinc/10/39/88/448103988.db2.gz IWSMCXJXBSPISY-QZTJIDSGSA-N 1 2 329.444 1.641 20 30 EDEDLO C#CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000492025515 448160139 /nfs/dbraw/zinc/16/01/39/448160139.db2.gz JHJRGNGDLAXEQM-CQSZACIVSA-N 1 2 337.464 1.846 20 30 EDEDLO N#C[C@]1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC12CCCC2 ZINC000571373593 448141789 /nfs/dbraw/zinc/14/17/89/448141789.db2.gz RMQPAAJCMZCOIS-SFHVURJKSA-N 1 2 343.431 1.628 20 30 EDEDLO Cc1cc(C#N)nc(NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C)n1 ZINC000497079998 448182105 /nfs/dbraw/zinc/18/21/05/448182105.db2.gz SJIOJJIPVXJKFE-CQSZACIVSA-N 1 2 346.435 1.620 20 30 EDEDLO Cc1cc(C#N)nc(NC[C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C)n1 ZINC000497079998 448182107 /nfs/dbraw/zinc/18/21/07/448182107.db2.gz SJIOJJIPVXJKFE-CQSZACIVSA-N 1 2 346.435 1.620 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000591187281 448284534 /nfs/dbraw/zinc/28/45/34/448284534.db2.gz FQXJETLXZGBYSB-KRWDZBQOSA-N 1 2 342.443 1.956 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C1(C#N)CCCCC1)C2 ZINC000577397985 448287402 /nfs/dbraw/zinc/28/74/02/448287402.db2.gz VQQCAADGXMTVOD-CQSZACIVSA-N 1 2 330.432 1.631 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(c3nc(N)c4ccccc4[nH+]3)C2)nc1 ZINC000564512337 448330842 /nfs/dbraw/zinc/33/08/42/448330842.db2.gz FIUISXIIKILNIQ-ZDUSSCGKSA-N 1 2 332.367 2.136 20 30 EDEDLO CC1CCC(N2C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC2=O)CC1 ZINC000564556496 448332187 /nfs/dbraw/zinc/33/21/87/448332187.db2.gz BYZIIDBZXOTUHA-JEGBIIHOSA-N 1 2 334.464 1.374 20 30 EDEDLO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000572538676 448403997 /nfs/dbraw/zinc/40/39/97/448403997.db2.gz BFLGPCBSJGABDH-MRXNPFEDSA-N 1 2 345.443 1.608 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCc2ccccc2C1 ZINC000565721216 448377050 /nfs/dbraw/zinc/37/70/50/448377050.db2.gz OLPOWSWNTUFDAX-LJQANCHMSA-N 1 2 341.455 1.866 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000566429046 448467986 /nfs/dbraw/zinc/46/79/86/448467986.db2.gz OWTUDVOXMFJYGY-JTQLQIEISA-N 1 2 343.836 1.964 20 30 EDEDLO COC(=O)c1ccc(N2CC[NH+](Cc3cc(C)no3)CC2)c(C#N)n1 ZINC000584316847 448481704 /nfs/dbraw/zinc/48/17/04/448481704.db2.gz KHKBTQIKYWZWAS-UHFFFAOYSA-N 1 2 341.371 1.359 20 30 EDEDLO N#CCCn1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000535259969 448492396 /nfs/dbraw/zinc/49/23/96/448492396.db2.gz HYOLTMOWOGNHMG-UHFFFAOYSA-N 1 2 344.444 2.208 20 30 EDEDLO C[N@H+](CC(=O)NCc1ccccc1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000566646393 448527647 /nfs/dbraw/zinc/52/76/47/448527647.db2.gz KAQJJPYAQHSVBZ-SFHVURJKSA-N 1 2 328.416 1.043 20 30 EDEDLO C[N@@H+](CC(=O)NCc1ccccc1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000566646393 448527650 /nfs/dbraw/zinc/52/76/50/448527650.db2.gz KAQJJPYAQHSVBZ-SFHVURJKSA-N 1 2 328.416 1.043 20 30 EDEDLO N#Cc1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)c(F)c1 ZINC000591885741 448536378 /nfs/dbraw/zinc/53/63/78/448536378.db2.gz BIQJAGPPZSMHLJ-UHFFFAOYSA-N 1 2 325.390 1.696 20 30 EDEDLO CC(C)CN1CC[N@H+](C[C@H](O)COc2ccccc2C#N)[C@H](C)C1=O ZINC000528463183 448538712 /nfs/dbraw/zinc/53/87/12/448538712.db2.gz GLQPEEWOBFTCQY-WBVHZDCISA-N 1 2 345.443 1.487 20 30 EDEDLO CC(C)CN1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)[C@H](C)C1=O ZINC000528463183 448538718 /nfs/dbraw/zinc/53/87/18/448538718.db2.gz GLQPEEWOBFTCQY-WBVHZDCISA-N 1 2 345.443 1.487 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)nc1 ZINC000566715360 448542536 /nfs/dbraw/zinc/54/25/36/448542536.db2.gz SVJCGMDOFNWJOT-UHFFFAOYSA-N 1 2 349.438 1.387 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000566777845 448554270 /nfs/dbraw/zinc/55/42/70/448554270.db2.gz CNAKDTPIKRJRTE-CJNGLKHVSA-N 1 2 342.399 1.929 20 30 EDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC000518650147 448695995 /nfs/dbraw/zinc/69/59/95/448695995.db2.gz UJXKLNPGWYWDMH-KRWDZBQOSA-N 1 2 328.420 1.894 20 30 EDEDLO COc1ccc([C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)NC(C)=O)cc1 ZINC000579013827 448696856 /nfs/dbraw/zinc/69/68/56/448696856.db2.gz INCGGDQJKDEPNV-WMZOPIPTSA-N 1 2 346.431 1.223 20 30 EDEDLO CCOc1ccc(-c2noc(C[N@@H+]3CC[C@@](O)(CC#N)C3)n2)cc1 ZINC000592147194 448707975 /nfs/dbraw/zinc/70/79/75/448707975.db2.gz JHNOMFOTLMVLLS-KRWDZBQOSA-N 1 2 328.372 1.986 20 30 EDEDLO CCOc1ccc(-c2noc(C[N@H+]3CC[C@@](O)(CC#N)C3)n2)cc1 ZINC000592147194 448707979 /nfs/dbraw/zinc/70/79/79/448707979.db2.gz JHNOMFOTLMVLLS-KRWDZBQOSA-N 1 2 328.372 1.986 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149867 448710145 /nfs/dbraw/zinc/71/01/45/448710145.db2.gz YKEVNYIEQZWLAL-MEDUHNTESA-N 1 2 332.791 1.889 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149867 448710147 /nfs/dbraw/zinc/71/01/47/448710147.db2.gz YKEVNYIEQZWLAL-MEDUHNTESA-N 1 2 332.791 1.889 20 30 EDEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149202 448710179 /nfs/dbraw/zinc/71/01/79/448710179.db2.gz KPLDDZQPTCRBAE-BDJLRTHQSA-N 1 2 348.359 1.281 20 30 EDEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149202 448710186 /nfs/dbraw/zinc/71/01/86/448710186.db2.gz KPLDDZQPTCRBAE-BDJLRTHQSA-N 1 2 348.359 1.281 20 30 EDEDLO COc1c(N)[nH+]cnc1N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000518999659 448732951 /nfs/dbraw/zinc/73/29/51/448732951.db2.gz JAIZJECLFGZMKY-UHFFFAOYSA-N 1 2 325.372 1.987 20 30 EDEDLO COc1c(N)nc[nH+]c1N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000518999659 448732958 /nfs/dbraw/zinc/73/29/58/448732958.db2.gz JAIZJECLFGZMKY-UHFFFAOYSA-N 1 2 325.372 1.987 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000573881362 448735072 /nfs/dbraw/zinc/73/50/72/448735072.db2.gz XNTDNMCDYKCJAJ-GJZGRUSLSA-N 1 2 325.453 1.378 20 30 EDEDLO N#CCc1ccccc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000585708198 448744112 /nfs/dbraw/zinc/74/41/12/448744112.db2.gz BKADVIUCKVALJO-UHFFFAOYSA-N 1 2 326.381 1.879 20 30 EDEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000586778699 448810468 /nfs/dbraw/zinc/81/04/68/448810468.db2.gz SAHBVNZOTCVBMT-BHIYHBOVSA-N 1 2 346.427 1.372 20 30 EDEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1 ZINC000586778699 448810473 /nfs/dbraw/zinc/81/04/73/448810473.db2.gz SAHBVNZOTCVBMT-BHIYHBOVSA-N 1 2 346.427 1.372 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CNc1ccc(C#N)cc1 ZINC000587971389 448847893 /nfs/dbraw/zinc/84/78/93/448847893.db2.gz ISJRTKHPRYOLAT-WMLDXEAASA-N 1 2 328.416 1.292 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000579905215 448903677 /nfs/dbraw/zinc/90/36/77/448903677.db2.gz UHVUIKJOGBNTLE-KRWDZBQOSA-N 1 2 345.403 1.769 20 30 EDEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000579953413 448920071 /nfs/dbraw/zinc/92/00/71/448920071.db2.gz CSJLEEYAYDCNGH-AWEZNQCLSA-N 1 2 333.417 1.000 20 30 EDEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000579953413 448920077 /nfs/dbraw/zinc/92/00/77/448920077.db2.gz CSJLEEYAYDCNGH-AWEZNQCLSA-N 1 2 333.417 1.000 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000569439627 449025408 /nfs/dbraw/zinc/02/54/08/449025408.db2.gz OABAGDFGBBSZPM-AEFFLSMTSA-N 1 2 341.459 1.481 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000569439627 449025410 /nfs/dbraw/zinc/02/54/10/449025410.db2.gz OABAGDFGBBSZPM-AEFFLSMTSA-N 1 2 341.459 1.481 20 30 EDEDLO N#Cc1ccncc1N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000589874493 449071225 /nfs/dbraw/zinc/07/12/25/449071225.db2.gz KNOSNYDKDSKXPD-UHFFFAOYSA-N 1 2 332.371 1.256 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000590013100 449098642 /nfs/dbraw/zinc/09/86/42/449098642.db2.gz GHBBEXVZPVNQJJ-INIZCTEOSA-N 1 2 336.395 1.915 20 30 EDEDLO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595834703 449197256 /nfs/dbraw/zinc/19/72/56/449197256.db2.gz KXKAEVBWOAWMBD-MRXNPFEDSA-N 1 2 337.445 1.551 20 30 EDEDLO CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595834703 449197262 /nfs/dbraw/zinc/19/72/62/449197262.db2.gz KXKAEVBWOAWMBD-MRXNPFEDSA-N 1 2 337.445 1.551 20 30 EDEDLO N#CCCN1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000611175902 449202272 /nfs/dbraw/zinc/20/22/72/449202272.db2.gz NOPUWQGVEUMKDQ-SFHVURJKSA-N 1 2 326.444 1.711 20 30 EDEDLO N#CCSc1ccccc1NC(=O)CN1CCn2c[nH+]cc2C1 ZINC000590599006 449211305 /nfs/dbraw/zinc/21/13/05/449211305.db2.gz CBXRPKKERHXPET-UHFFFAOYSA-N 1 2 327.413 1.953 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595827311 449190599 /nfs/dbraw/zinc/19/05/99/449190599.db2.gz BQDBGMXODGZRMJ-MAUKXSAKSA-N 1 2 341.411 1.717 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595827311 449190604 /nfs/dbraw/zinc/19/06/04/449190604.db2.gz BQDBGMXODGZRMJ-MAUKXSAKSA-N 1 2 341.411 1.717 20 30 EDEDLO N#CC1(Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CCC1 ZINC000590724906 449259843 /nfs/dbraw/zinc/25/98/43/449259843.db2.gz RUIQCMNIIUMCJL-INIZCTEOSA-N 1 2 338.415 1.940 20 30 EDEDLO N#CC1(Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CCC1 ZINC000590724906 449259848 /nfs/dbraw/zinc/25/98/48/449259848.db2.gz RUIQCMNIIUMCJL-INIZCTEOSA-N 1 2 338.415 1.940 20 30 EDEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(S(=O)(=O)NC(C)C)CC1 ZINC000590737458 449261960 /nfs/dbraw/zinc/26/19/60/449261960.db2.gz QALLMHCDCKMANE-UHFFFAOYSA-N 1 2 336.461 1.227 20 30 EDEDLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000590742940 449264250 /nfs/dbraw/zinc/26/42/50/449264250.db2.gz JLSMESMICDFVKI-UHFFFAOYSA-N 1 2 333.417 1.312 20 30 EDEDLO N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000602062198 449312729 /nfs/dbraw/zinc/31/27/29/449312729.db2.gz ZIZCYRSERZZWMG-CHWSQXEVSA-N 1 2 339.374 1.873 20 30 EDEDLO N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000602062198 449312733 /nfs/dbraw/zinc/31/27/33/449312733.db2.gz ZIZCYRSERZZWMG-CHWSQXEVSA-N 1 2 339.374 1.873 20 30 EDEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000611551292 449333649 /nfs/dbraw/zinc/33/36/49/449333649.db2.gz PCNAXQDSVLVNLY-MRXNPFEDSA-N 1 2 344.390 1.157 20 30 EDEDLO CCc1nc(C#N)cc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000596157559 449389474 /nfs/dbraw/zinc/38/94/74/449389474.db2.gz YFIKQYLDBDCLJS-AWEZNQCLSA-N 1 2 342.447 1.044 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594208628 449389799 /nfs/dbraw/zinc/38/97/99/449389799.db2.gz HLSBXKGHKWABGH-OAHLLOKOSA-N 1 2 342.443 1.957 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)cc1 ZINC000600680197 449488056 /nfs/dbraw/zinc/48/80/56/449488056.db2.gz DXNUCZRJSOSOLY-SFHVURJKSA-N 1 2 336.395 1.584 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)cc1 ZINC000600680197 449488063 /nfs/dbraw/zinc/48/80/63/449488063.db2.gz DXNUCZRJSOSOLY-SFHVURJKSA-N 1 2 336.395 1.584 20 30 EDEDLO N#CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCCC1 ZINC000600680229 449488240 /nfs/dbraw/zinc/48/82/40/449488240.db2.gz FBCGACGJYMXIKC-INIZCTEOSA-N 1 2 328.416 1.483 20 30 EDEDLO N#CC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCC1 ZINC000600680229 449488246 /nfs/dbraw/zinc/48/82/46/449488246.db2.gz FBCGACGJYMXIKC-INIZCTEOSA-N 1 2 328.416 1.483 20 30 EDEDLO Cc1ccc(COCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000598687619 449545511 /nfs/dbraw/zinc/54/55/11/449545511.db2.gz OQIOYLDBNATYFP-UHFFFAOYSA-N 1 2 345.443 1.586 20 30 EDEDLO C[C@@H](C#N)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000596551323 449550088 /nfs/dbraw/zinc/55/00/88/449550088.db2.gz HTSFKNGJAWVFGY-RDJZCZTQSA-N 1 2 329.448 1.261 20 30 EDEDLO C[C@@H](C#N)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000596551323 449550094 /nfs/dbraw/zinc/55/00/94/449550094.db2.gz HTSFKNGJAWVFGY-RDJZCZTQSA-N 1 2 329.448 1.261 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598645096 449515380 /nfs/dbraw/zinc/51/53/80/449515380.db2.gz YZZRXWFOIDODAC-WBVHZDCISA-N 1 2 349.456 1.300 20 30 EDEDLO N#C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCO1 ZINC000602402728 449568642 /nfs/dbraw/zinc/56/86/42/449568642.db2.gz UPSXPYVEZBFZTO-AWEZNQCLSA-N 1 2 347.444 1.069 20 30 EDEDLO Cn1nc2c(c1C[NH+]1CCN(c3cc(C#N)ccn3)CC1)CCCC2 ZINC000602437600 449586525 /nfs/dbraw/zinc/58/65/25/449586525.db2.gz ZMVWHOJGZOLOEK-UHFFFAOYSA-N 1 2 336.443 1.888 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000598836473 449614772 /nfs/dbraw/zinc/61/47/72/449614772.db2.gz KGBINSKXPZELOK-LKFCYVNXSA-N 1 2 343.353 1.493 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596710772 449618206 /nfs/dbraw/zinc/61/82/06/449618206.db2.gz XFVXMMQZWNKKFN-AWEZNQCLSA-N 1 2 330.388 1.505 20 30 EDEDLO COc1ncc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)s1 ZINC000602483223 449625856 /nfs/dbraw/zinc/62/58/56/449625856.db2.gz IHHUAVHGDSMNFG-LLVKDONJSA-N 1 2 330.417 1.524 20 30 EDEDLO COc1ncc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)s1 ZINC000602483223 449625861 /nfs/dbraw/zinc/62/58/61/449625861.db2.gz IHHUAVHGDSMNFG-LLVKDONJSA-N 1 2 330.417 1.524 20 30 EDEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCSCc1ccccc1C#N ZINC000598961952 449672531 /nfs/dbraw/zinc/67/25/31/449672531.db2.gz DHKZEOZYWQMONP-INIZCTEOSA-N 1 2 348.472 1.421 20 30 EDEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NCCSCc1ccccc1C#N ZINC000598961952 449672539 /nfs/dbraw/zinc/67/25/39/449672539.db2.gz DHKZEOZYWQMONP-INIZCTEOSA-N 1 2 348.472 1.421 20 30 EDEDLO N#CCc1ccccc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000600991888 449638471 /nfs/dbraw/zinc/63/84/71/449638471.db2.gz PDNBQNBXYWMQAO-UHFFFAOYSA-N 1 2 336.395 1.914 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3nnc(C4CC4)o3)CC2)cc1 ZINC000601180498 449737322 /nfs/dbraw/zinc/73/73/22/449737322.db2.gz QBWCWOXTHXFSCJ-UHFFFAOYSA-N 1 2 337.383 1.777 20 30 EDEDLO CCn1ncc(C)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000597052410 449786951 /nfs/dbraw/zinc/78/69/51/449786951.db2.gz JFJUWVXCOQOQQI-UHFFFAOYSA-N 1 2 334.424 1.291 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000614662892 449747256 /nfs/dbraw/zinc/74/72/56/449747256.db2.gz SFRVYGITHXZAPB-WBVHZDCISA-N 1 2 335.411 1.855 20 30 EDEDLO C=CCOCCCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000608109968 449754767 /nfs/dbraw/zinc/75/47/67/449754767.db2.gz ITBKLAVYMJQXRM-UHFFFAOYSA-N 1 2 345.443 1.996 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2cccnc2n1 ZINC000597021679 449770849 /nfs/dbraw/zinc/77/08/49/449770849.db2.gz NOYJYFYKWBYPCY-UHFFFAOYSA-N 1 2 339.399 1.318 20 30 EDEDLO CCCCCc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)[nH]n1 ZINC000597024916 449773368 /nfs/dbraw/zinc/77/33/68/449773368.db2.gz QYGKELKOMDQOMQ-UHFFFAOYSA-N 1 2 347.463 1.830 20 30 EDEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000601252178 449775039 /nfs/dbraw/zinc/77/50/39/449775039.db2.gz GTXIAGYJSFYINB-YUELXQCFSA-N 1 2 326.404 1.870 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000599253297 449833895 /nfs/dbraw/zinc/83/38/95/449833895.db2.gz HHUAAJGGJOAARX-ROUUACIJSA-N 1 2 345.443 1.095 20 30 EDEDLO COc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857920 449866610 /nfs/dbraw/zinc/86/66/10/449866610.db2.gz WZKPAAWQGYIXKR-GASCZTMLSA-N 1 2 330.432 1.230 20 30 EDEDLO COc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857920 449866613 /nfs/dbraw/zinc/86/66/13/449866613.db2.gz WZKPAAWQGYIXKR-GASCZTMLSA-N 1 2 330.432 1.230 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H](C)N1CC#N ZINC000602859977 449869263 /nfs/dbraw/zinc/86/92/63/449869263.db2.gz HGINYWMZCFAXII-BPKRFKHESA-N 1 2 344.503 1.990 20 30 EDEDLO CC(C)N(CC(F)(F)F)C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602867216 449876118 /nfs/dbraw/zinc/87/61/18/449876118.db2.gz XOFHDTMSPQJVRI-CHWSQXEVSA-N 1 2 334.386 1.704 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000595126280 449886246 /nfs/dbraw/zinc/88/62/46/449886246.db2.gz NZFMAHQVCZQTSC-OLZOCXBDSA-N 1 2 344.415 1.031 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000595126280 449886252 /nfs/dbraw/zinc/88/62/52/449886252.db2.gz NZFMAHQVCZQTSC-OLZOCXBDSA-N 1 2 344.415 1.031 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602884131 449891642 /nfs/dbraw/zinc/89/16/42/449891642.db2.gz BTMWRKAPWMPLMG-KSSFIOAISA-N 1 2 329.448 1.952 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602884131 449891649 /nfs/dbraw/zinc/89/16/49/449891649.db2.gz BTMWRKAPWMPLMG-KSSFIOAISA-N 1 2 329.448 1.952 20 30 EDEDLO COC[C@]1(C(=O)OC)CCCC[N@@H+]1CCOc1ccccc1C#N ZINC000602913856 449917403 /nfs/dbraw/zinc/91/74/03/449917403.db2.gz FKYHVTLVTKHSOK-SFHVURJKSA-N 1 2 332.400 1.981 20 30 EDEDLO COC[C@]1(C(=O)OC)CCCC[N@H+]1CCOc1ccccc1C#N ZINC000602913856 449917410 /nfs/dbraw/zinc/91/74/10/449917410.db2.gz FKYHVTLVTKHSOK-SFHVURJKSA-N 1 2 332.400 1.981 20 30 EDEDLO CO[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@](C)(CO)C1 ZINC000602963885 449965365 /nfs/dbraw/zinc/96/53/65/449965365.db2.gz JQGUCBUBNGLXGB-CZUORRHYSA-N 1 2 337.807 1.622 20 30 EDEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@@](C)(CO)C1 ZINC000602963885 449965372 /nfs/dbraw/zinc/96/53/72/449965372.db2.gz JQGUCBUBNGLXGB-CZUORRHYSA-N 1 2 337.807 1.622 20 30 EDEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000601444776 449967297 /nfs/dbraw/zinc/96/72/97/449967297.db2.gz XTUQANWFXFPSFX-RDJZCZTQSA-N 1 2 349.456 1.186 20 30 EDEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000601444776 449967299 /nfs/dbraw/zinc/96/72/99/449967299.db2.gz XTUQANWFXFPSFX-RDJZCZTQSA-N 1 2 349.456 1.186 20 30 EDEDLO Cc1cc(CNC(=O)C(=O)NCC2(C#N)CCCCC2)cc(C)[nH+]1 ZINC000597353701 449968318 /nfs/dbraw/zinc/96/83/18/449968318.db2.gz DPIDEDNFHZUINQ-UHFFFAOYSA-N 1 2 328.416 1.905 20 30 EDEDLO Cn1ccnc1[C@@H]1[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC1(C)C ZINC000599434344 449973219 /nfs/dbraw/zinc/97/32/19/449973219.db2.gz ZGZIUVWCTIZFCI-CABCVRRESA-N 1 2 332.448 1.874 20 30 EDEDLO Cn1ccnc1[C@@H]1[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC1(C)C ZINC000599434344 449973223 /nfs/dbraw/zinc/97/32/23/449973223.db2.gz ZGZIUVWCTIZFCI-CABCVRRESA-N 1 2 332.448 1.874 20 30 EDEDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1C[C@H](O)CC(C)(C)C#N ZINC000599446397 449982306 /nfs/dbraw/zinc/98/23/06/449982306.db2.gz RVNBOWDSLDCELM-WBMJQRKESA-N 1 2 328.420 1.391 20 30 EDEDLO N#CCN1CCC(NC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000609336867 450012738 /nfs/dbraw/zinc/01/27/38/450012738.db2.gz OWHSZTGGKSQPAW-UHFFFAOYSA-N 1 2 331.420 1.095 20 30 EDEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C2(C#N)CC3(CC3)C2)cn1 ZINC000601559202 450072513 /nfs/dbraw/zinc/07/25/13/450072513.db2.gz GDZIANCIGUREDO-UHFFFAOYSA-N 1 2 338.415 1.729 20 30 EDEDLO N#CCCN1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000601558859 450072627 /nfs/dbraw/zinc/07/26/27/450072627.db2.gz JTCIGFSZXYOFDH-UHFFFAOYSA-N 1 2 342.447 1.291 20 30 EDEDLO Cc1cc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)ncc1C#N ZINC000603116709 450079113 /nfs/dbraw/zinc/07/91/13/450079113.db2.gz AHLMGXXPYGPRDJ-MRXNPFEDSA-N 1 2 343.431 1.980 20 30 EDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599580085 450080581 /nfs/dbraw/zinc/08/05/81/450080581.db2.gz GOCMZJFMTMZSJF-HOCLYGCPSA-N 1 2 330.384 1.793 20 30 EDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599580085 450080584 /nfs/dbraw/zinc/08/05/84/450080584.db2.gz GOCMZJFMTMZSJF-HOCLYGCPSA-N 1 2 330.384 1.793 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2CNC(C)=O)c1C#N ZINC000599690305 450154811 /nfs/dbraw/zinc/15/48/11/450154811.db2.gz NJJJHXCAIICCLH-OAHLLOKOSA-N 1 2 329.400 1.835 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2CNC(C)=O)c1C#N ZINC000599690305 450154817 /nfs/dbraw/zinc/15/48/17/450154817.db2.gz NJJJHXCAIICCLH-OAHLLOKOSA-N 1 2 329.400 1.835 20 30 EDEDLO N#Cc1cccc(NC2CN(C(=O)C3([NH+]4CCOCC4)CCC3)C2)c1 ZINC000601677824 450163361 /nfs/dbraw/zinc/16/33/61/450163361.db2.gz ORCUZAMUIDFKTM-UHFFFAOYSA-N 1 2 340.427 1.436 20 30 EDEDLO CC(C)(C)c1ccc(C#N)c(N2CC[NH+](CC(=O)NC3CC3)CC2)n1 ZINC000613411084 450168053 /nfs/dbraw/zinc/16/80/53/450168053.db2.gz ASFUFJLBFKDPJU-UHFFFAOYSA-N 1 2 341.459 1.651 20 30 EDEDLO C[N@H+](CCO)Cc1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1 ZINC000603250863 450179559 /nfs/dbraw/zinc/17/95/59/450179559.db2.gz LXMKKIHEICIBDA-UHFFFAOYSA-N 1 2 339.321 1.641 20 30 EDEDLO C[N@@H+](CCO)Cc1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1 ZINC000603250863 450179564 /nfs/dbraw/zinc/17/95/64/450179564.db2.gz LXMKKIHEICIBDA-UHFFFAOYSA-N 1 2 339.321 1.641 20 30 EDEDLO CC(=O)N1CC[NH+](CCNc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603277021 450203871 /nfs/dbraw/zinc/20/38/71/450203871.db2.gz VQTWOIFDMZPIIP-UHFFFAOYSA-N 1 2 338.415 1.320 20 30 EDEDLO Cc1cc(C(=O)N2CC[N@H+](CCc3ccc(C#N)cc3)[C@H](C)C2)n[nH]1 ZINC000595530786 450211358 /nfs/dbraw/zinc/21/13/58/450211358.db2.gz TYGICCWVMQALQD-OAHLLOKOSA-N 1 2 337.427 1.979 20 30 EDEDLO Cc1cc(C(=O)N2CC[N@@H+](CCc3ccc(C#N)cc3)[C@H](C)C2)n[nH]1 ZINC000595530786 450211360 /nfs/dbraw/zinc/21/13/60/450211360.db2.gz TYGICCWVMQALQD-OAHLLOKOSA-N 1 2 337.427 1.979 20 30 EDEDLO C=CCC[C@@H](O)Cn1cc(C[NH+]2CCC(C(=O)OCC)CC2)nn1 ZINC000603257452 450185540 /nfs/dbraw/zinc/18/55/40/450185540.db2.gz KNMYBVLDOIYFEV-MRXNPFEDSA-N 1 2 336.436 1.380 20 30 EDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 ZINC000610563652 450262425 /nfs/dbraw/zinc/26/24/25/450262425.db2.gz IVLCFOAHWZLWME-CYBMUJFWSA-N 1 2 339.403 1.597 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000610563541 450262643 /nfs/dbraw/zinc/26/26/43/450262643.db2.gz ALEVOUWIDUENDY-CYBMUJFWSA-N 1 2 348.357 1.994 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1(C)C ZINC000603376634 450270049 /nfs/dbraw/zinc/27/00/49/450270049.db2.gz WAKXKFARJQLMDI-UHFFFAOYSA-N 1 2 329.372 1.551 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1(C)C ZINC000603376634 450270051 /nfs/dbraw/zinc/27/00/51/450270051.db2.gz WAKXKFARJQLMDI-UHFFFAOYSA-N 1 2 329.372 1.551 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000618810882 450307854 /nfs/dbraw/zinc/30/78/54/450307854.db2.gz QFQRTPPBAMGYLK-PMUMKWKESA-N 1 2 342.443 1.954 20 30 EDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000619719148 450318915 /nfs/dbraw/zinc/31/89/15/450318915.db2.gz XQHQGERVAOOSBU-KRWDZBQOSA-N 1 2 334.416 1.944 20 30 EDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000619719148 450318919 /nfs/dbraw/zinc/31/89/19/450318919.db2.gz XQHQGERVAOOSBU-KRWDZBQOSA-N 1 2 334.416 1.944 20 30 EDEDLO N#Cc1cnc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000610907563 450377402 /nfs/dbraw/zinc/37/74/02/450377402.db2.gz FFIHDFQQAIQIHK-ZDUSSCGKSA-N 1 2 334.807 1.543 20 30 EDEDLO C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000623876915 450622864 /nfs/dbraw/zinc/62/28/64/450622864.db2.gz JYQMMLIONGSUNQ-HUUCEWRRSA-N 1 2 345.447 1.519 20 30 EDEDLO C=CC[C@@H]1N(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CCCC1(C)C ZINC000632282252 451169285 /nfs/dbraw/zinc/16/92/85/451169285.db2.gz WYAHEGNHJXWYBE-GJZGRUSLSA-N 1 2 330.494 1.714 20 30 EDEDLO C=CC[C@@H]1N(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CCCC1(C)C ZINC000632282252 451169288 /nfs/dbraw/zinc/16/92/88/451169288.db2.gz WYAHEGNHJXWYBE-GJZGRUSLSA-N 1 2 330.494 1.714 20 30 EDEDLO C=CCn1cc(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)nn1 ZINC000636056354 451473217 /nfs/dbraw/zinc/47/32/17/451473217.db2.gz NFLSJEUXHWCBTG-LLVKDONJSA-N 1 2 328.298 1.471 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](c2ccccc2)C(C)C)nn1 ZINC000640894459 451678362 /nfs/dbraw/zinc/67/83/62/451678362.db2.gz FPKITAAZRDRGGP-LJQANCHMSA-N 1 2 339.443 1.905 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N2CCc3sccc3C2)nn1 ZINC000640930176 451695133 /nfs/dbraw/zinc/69/51/33/451695133.db2.gz QJQUCFLKARSRHD-ZDUSSCGKSA-N 1 2 343.456 1.598 20 30 EDEDLO C=CCCCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000637057363 451701392 /nfs/dbraw/zinc/70/13/92/451701392.db2.gz XYGDILBADGPWQF-QGZVFWFLSA-N 1 2 325.453 1.258 20 30 EDEDLO C=CCCCCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000637057363 451701395 /nfs/dbraw/zinc/70/13/95/451701395.db2.gz XYGDILBADGPWQF-QGZVFWFLSA-N 1 2 325.453 1.258 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2nc(CCc3ccccc3)no2)nn1 ZINC000641065125 451744547 /nfs/dbraw/zinc/74/45/47/451744547.db2.gz ZHGGLMSTOHWEAU-UHFFFAOYSA-N 1 2 336.399 1.608 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](OC)C2)c(OC)c1 ZINC000639836661 452170810 /nfs/dbraw/zinc/17/08/10/452170810.db2.gz WAMPVUHMFJIDIC-CRAIPNDOSA-N 1 2 337.416 1.468 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](OC)C2)c(OC)c1 ZINC000639836661 452170816 /nfs/dbraw/zinc/17/08/16/452170816.db2.gz WAMPVUHMFJIDIC-CRAIPNDOSA-N 1 2 337.416 1.468 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000645135654 452171199 /nfs/dbraw/zinc/17/11/99/452171199.db2.gz KUJXMSYTWSJLLS-CVEARBPZSA-N 1 2 326.400 1.583 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000645138746 452172558 /nfs/dbraw/zinc/17/25/58/452172558.db2.gz OEZSSYMUUANUDK-HZPDHXFCSA-N 1 2 344.390 1.722 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639856250 452189140 /nfs/dbraw/zinc/18/91/40/452189140.db2.gz PGRRYTRYSZXWHS-CXAGYDPISA-N 1 2 336.457 1.721 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639856250 452189144 /nfs/dbraw/zinc/18/91/44/452189144.db2.gz PGRRYTRYSZXWHS-CXAGYDPISA-N 1 2 336.457 1.721 20 30 EDEDLO C=C(CC)CNC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000655508330 452309909 /nfs/dbraw/zinc/30/99/09/452309909.db2.gz OYGQDIAOJWJHKP-MRXNPFEDSA-N 1 2 341.415 1.791 20 30 EDEDLO C=CCN1CC[C@@H](N(C)c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1=O ZINC000663872642 452597417 /nfs/dbraw/zinc/59/74/17/452597417.db2.gz WDIBRCOOHIYQKS-CQSZACIVSA-N 1 2 345.447 1.051 20 30 EDEDLO C=CCN1CC[C@@H](N(C)c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1=O ZINC000663872642 452597424 /nfs/dbraw/zinc/59/74/24/452597424.db2.gz WDIBRCOOHIYQKS-CQSZACIVSA-N 1 2 345.447 1.051 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000658432778 452961986 /nfs/dbraw/zinc/96/19/86/452961986.db2.gz LMNZRYDEXBOQAO-DLBZAZTESA-N 1 2 349.475 1.124 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000658432779 452962779 /nfs/dbraw/zinc/96/27/79/452962779.db2.gz LMNZRYDEXBOQAO-IAGOWNOFSA-N 1 2 349.475 1.124 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343427 453107218 /nfs/dbraw/zinc/10/72/18/453107218.db2.gz NRXLWTGSGQRFBG-OAGGEKHMSA-N 1 2 339.480 1.463 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343427 453107221 /nfs/dbraw/zinc/10/72/21/453107221.db2.gz NRXLWTGSGQRFBG-OAGGEKHMSA-N 1 2 339.480 1.463 20 30 EDEDLO C=CCn1cc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)nn1 ZINC000648874059 453349257 /nfs/dbraw/zinc/34/92/57/453349257.db2.gz VGUKDYYKKQOLEC-UHFFFAOYSA-N 1 2 345.834 1.906 20 30 EDEDLO C=CCn1cc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)nn1 ZINC000648874059 453349261 /nfs/dbraw/zinc/34/92/61/453349261.db2.gz VGUKDYYKKQOLEC-UHFFFAOYSA-N 1 2 345.834 1.906 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672764288 486794699 /nfs/dbraw/zinc/79/46/99/486794699.db2.gz QSOQPKMOALIZBP-UHFFFAOYSA-N 1 2 328.416 1.726 20 30 EDEDLO COC[C@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOC1 ZINC000449041368 486459332 /nfs/dbraw/zinc/45/93/32/486459332.db2.gz MTBGJFRBTCGHHX-LJQANCHMSA-N 1 2 343.427 1.256 20 30 EDEDLO N#CCSCC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111122869 534702707 /nfs/dbraw/zinc/70/27/07/534702707.db2.gz VVSNLUMJMLJIGE-MRXNPFEDSA-N 1 2 333.457 1.303 20 30 EDEDLO Cn1cnc2cc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)ccc21 ZINC000126162927 534810455 /nfs/dbraw/zinc/81/04/55/534810455.db2.gz GEGYCBGDFDAZAN-UHFFFAOYSA-N 1 2 341.415 1.261 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)CSc2ccc(C#N)cc2)CCO1 ZINC000171297548 529116718 /nfs/dbraw/zinc/11/67/18/529116718.db2.gz HIIHMHSIMSUGIG-UHFFFAOYSA-N 1 2 333.457 1.877 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)CSc2ccc(C#N)cc2)CCO1 ZINC000171297548 529116721 /nfs/dbraw/zinc/11/67/21/529116721.db2.gz HIIHMHSIMSUGIG-UHFFFAOYSA-N 1 2 333.457 1.877 20 30 EDEDLO Cn1cc(CCON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000740872379 579387663 /nfs/dbraw/zinc/38/76/63/579387663.db2.gz RBXZRUFPTXHIEX-UHFFFAOYSA-N 1 2 343.431 1.132 20 30 EDEDLO Cn1cc(/C=C\C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)nn1 ZINC000741471225 579418958 /nfs/dbraw/zinc/41/89/58/579418958.db2.gz KCJQHZCFGBGNKI-HYXAFXHYSA-N 1 2 328.372 1.249 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(OCC#N)cc2)CCO1 ZINC000727942136 578541456 /nfs/dbraw/zinc/54/14/56/578541456.db2.gz OXTPYXWYIUDWEV-AWEZNQCLSA-N 1 2 332.404 1.109 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(OCC#N)cc2)CCO1 ZINC000727942136 578541457 /nfs/dbraw/zinc/54/14/57/578541457.db2.gz OXTPYXWYIUDWEV-AWEZNQCLSA-N 1 2 332.404 1.109 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)nc1 ZINC000728861389 578553225 /nfs/dbraw/zinc/55/32/25/578553225.db2.gz PAMXMWTXOIEVGJ-QGZVFWFLSA-N 1 2 331.441 1.001 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCCN(Cc3[nH+]ccn3CC)CC2)nc1 ZINC000729922187 578600181 /nfs/dbraw/zinc/60/01/81/578600181.db2.gz AXRPJCXPMDRPSJ-UHFFFAOYSA-N 1 2 337.427 1.627 20 30 EDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1=S ZINC000732189120 578696256 /nfs/dbraw/zinc/69/62/56/578696256.db2.gz AMQKUMKSARHZAW-ZDUSSCGKSA-N 1 2 336.465 1.287 20 30 EDEDLO C=CCn1nnn(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1=S ZINC000732189120 578696257 /nfs/dbraw/zinc/69/62/57/578696257.db2.gz AMQKUMKSARHZAW-ZDUSSCGKSA-N 1 2 336.465 1.287 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 ZINC000744425588 579510548 /nfs/dbraw/zinc/51/05/48/579510548.db2.gz SSNATGUHWTVQBG-UHFFFAOYSA-N 1 2 345.830 1.858 20 30 EDEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000745103142 579538847 /nfs/dbraw/zinc/53/88/47/579538847.db2.gz COUUNNLVNRPNAM-WBVHZDCISA-N 1 2 328.412 1.722 20 30 EDEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000745103142 579538848 /nfs/dbraw/zinc/53/88/48/579538848.db2.gz COUUNNLVNRPNAM-WBVHZDCISA-N 1 2 328.412 1.722 20 30 EDEDLO N#CCn1cc(NC(=O)c2ccccc2C[NH+]2CCOCC2)cn1 ZINC000746184235 579575500 /nfs/dbraw/zinc/57/55/00/579575500.db2.gz UCRCZUPKNXYXRV-UHFFFAOYSA-N 1 2 325.372 1.491 20 30 EDEDLO C=CC[C@@H](NC(=O)C(=O)Nc1c[nH+]ccc1OC)c1ccncc1 ZINC000749724229 579736785 /nfs/dbraw/zinc/73/67/85/579736785.db2.gz GCYMOAHWSXUVAY-CYBMUJFWSA-N 1 2 326.356 1.857 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000753726753 579885958 /nfs/dbraw/zinc/88/59/58/579885958.db2.gz CRQHYVRXQKOQJF-INIZCTEOSA-N 1 2 335.404 1.896 20 30 EDEDLO C[C@@H]1COCC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 ZINC000753996027 579893349 /nfs/dbraw/zinc/89/33/49/579893349.db2.gz XOBAARYVHZGWLQ-AWEZNQCLSA-N 1 2 342.399 1.248 20 30 EDEDLO C[C@@H]1COCC[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 ZINC000753996027 579893350 /nfs/dbraw/zinc/89/33/50/579893350.db2.gz XOBAARYVHZGWLQ-AWEZNQCLSA-N 1 2 342.399 1.248 20 30 EDEDLO CC(C)C[N@H+](CCC#N)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000755670020 579932114 /nfs/dbraw/zinc/93/21/14/579932114.db2.gz KOLWTMSJWOHIER-HNNXBMFYSA-N 1 2 331.416 1.814 20 30 EDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000755670020 579932115 /nfs/dbraw/zinc/93/21/15/579932115.db2.gz KOLWTMSJWOHIER-HNNXBMFYSA-N 1 2 331.416 1.814 20 30 EDEDLO Cc1ccnc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000755813837 579935949 /nfs/dbraw/zinc/93/59/49/579935949.db2.gz IRUWKRLJISURKY-UHFFFAOYSA-N 1 2 341.415 1.454 20 30 EDEDLO C(=NNc1ccc(-n2cc[nH+]c2)nn1)c1n[nH]nc1-c1ccccc1 ZINC000761838124 580062531 /nfs/dbraw/zinc/06/25/31/580062531.db2.gz IQTVIBPBGZGCIZ-UHFFFAOYSA-N 1 2 331.343 1.893 20 30 EDEDLO C#CCCCCC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000763034176 580090476 /nfs/dbraw/zinc/09/04/76/580090476.db2.gz HZBCCSHNBLTSRR-GOSISDBHSA-N 1 2 338.411 1.836 20 30 EDEDLO O=[N+]([O-])c1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c([N+](=O)[O-])c1 ZINC000766030329 580156995 /nfs/dbraw/zinc/15/69/95/580156995.db2.gz TVVYNRBKMCZYOP-VXGBXAGGSA-N 1 2 332.320 1.697 20 30 EDEDLO O=S(=O)(CCc1ccccc1)NN=Cc1cccc2[nH+]ccn21 ZINC000771100311 580280141 /nfs/dbraw/zinc/28/01/41/580280141.db2.gz JTPHYAHKAWPICQ-UHFFFAOYSA-N 1 2 328.397 1.830 20 30 EDEDLO C=CC[N@H+](CN1C(=O)C(=O)N(CCc2cccs2)C1=O)C1CC1 ZINC000771639668 580290987 /nfs/dbraw/zinc/29/09/87/580290987.db2.gz IXJNVLCPVQIMSB-UHFFFAOYSA-N 1 2 333.413 1.689 20 30 EDEDLO C=CC[N@@H+](CN1C(=O)C(=O)N(CCc2cccs2)C1=O)C1CC1 ZINC000771639668 580290988 /nfs/dbraw/zinc/29/09/88/580290988.db2.gz IXJNVLCPVQIMSB-UHFFFAOYSA-N 1 2 333.413 1.689 20 30 EDEDLO CCOCC[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000772387435 580308976 /nfs/dbraw/zinc/30/89/76/580308976.db2.gz IYKIXOWPBLAONV-ZDUSSCGKSA-N 1 2 328.372 1.480 20 30 EDEDLO CCOCC[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000772387435 580308977 /nfs/dbraw/zinc/30/89/77/580308977.db2.gz IYKIXOWPBLAONV-ZDUSSCGKSA-N 1 2 328.372 1.480 20 30 EDEDLO C#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000775340045 580388678 /nfs/dbraw/zinc/38/86/78/580388678.db2.gz LQKFKEGTOZSOJN-CJNGLKHVSA-N 1 2 340.339 1.691 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775644452 580396061 /nfs/dbraw/zinc/39/60/61/580396061.db2.gz HHWUJGSKHIYMMG-UHFFFAOYSA-N 1 2 337.851 1.774 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000775789064 580400444 /nfs/dbraw/zinc/40/04/44/580400444.db2.gz BGKIZGCDPWSZHU-ZIAGYGMSSA-N 1 2 328.328 1.915 20 30 EDEDLO COC(=O)c1cn(C2C[NH+](Cc3ccc(O[C@H](C)C#N)cc3)C2)nn1 ZINC000779614446 580491436 /nfs/dbraw/zinc/49/14/36/580491436.db2.gz UNSNXZZRKLFBRE-GFCCVEGCSA-N 1 2 341.371 1.412 20 30 EDEDLO C[C@H](ON=C(N)C[NH+]1CCSCC1)C(=O)Nc1cccc(C#N)c1 ZINC000780128030 580514357 /nfs/dbraw/zinc/51/43/57/580514357.db2.gz FIIPBIQSQIJSNB-LBPRGKRZSA-N 1 2 347.444 1.433 20 30 EDEDLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](O)c2ccc(C#N)cc2)c1C ZINC000780922923 580537750 /nfs/dbraw/zinc/53/77/50/580537750.db2.gz ZOUNTECSGXOLNY-INIZCTEOSA-N 1 2 325.368 1.929 20 30 EDEDLO Cc1cc(Br)cn2c(C=NNS(C)(=O)=O)c[nH+]c12 ZINC000783854508 580607515 /nfs/dbraw/zinc/60/75/15/580607515.db2.gz URSLKFFKSOUXBQ-UHFFFAOYSA-N 1 2 331.195 1.288 20 30 EDEDLO C#CCOCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000784168683 580614723 /nfs/dbraw/zinc/61/47/23/580614723.db2.gz ZSMOXCVRSXNQGT-AWEZNQCLSA-N 1 2 337.445 1.070 20 30 EDEDLO C#CCOCCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000784370471 580619605 /nfs/dbraw/zinc/61/96/05/580619605.db2.gz PEZFFZWMLIAEMG-AWEZNQCLSA-N 1 2 325.359 1.517 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000786004786 580658182 /nfs/dbraw/zinc/65/81/82/580658182.db2.gz IHONVKOTTCRKBS-UHFFFAOYSA-N 1 2 325.372 1.084 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790579131 580773294 /nfs/dbraw/zinc/77/32/94/580773294.db2.gz HWOIXWMMHYBSJN-UHFFFAOYSA-N 1 2 339.754 1.707 20 30 EDEDLO C=C(CO)C(=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000791298580 580788841 /nfs/dbraw/zinc/78/88/41/580788841.db2.gz DJYKJABDAUMDIA-UHFFFAOYSA-N 1 2 328.334 1.898 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)c1=O)CCCC2 ZINC000793505564 580846419 /nfs/dbraw/zinc/84/64/19/580846419.db2.gz RJFXJRQBVWEEEL-IAGOWNOFSA-N 1 2 345.468 1.763 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCS[C@@H]4COCC[C@H]43)c1=O)CCCC2 ZINC000793505564 580846420 /nfs/dbraw/zinc/84/64/20/580846420.db2.gz RJFXJRQBVWEEEL-IAGOWNOFSA-N 1 2 345.468 1.763 20 30 EDEDLO C[C@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C[C@@]2(CCOC2)O1 ZINC000794704582 580903597 /nfs/dbraw/zinc/90/35/97/580903597.db2.gz NASNUCNTZIGXAL-SCLBCKFNSA-N 1 2 329.400 1.046 20 30 EDEDLO C[C@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C[C@@]2(CCOC2)O1 ZINC000794704582 580903598 /nfs/dbraw/zinc/90/35/98/580903598.db2.gz NASNUCNTZIGXAL-SCLBCKFNSA-N 1 2 329.400 1.046 20 30 EDEDLO CSCCNC(=S)N[NH+]=Cc1c(C)nn(-c2ccccc2)c1N ZINC000794922706 580908235 /nfs/dbraw/zinc/90/82/35/580908235.db2.gz VFXZBWSIBOXBRI-UHFFFAOYSA-N 1 2 348.501 1.924 20 30 EDEDLO C=CCOc1ccc(CNC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000795090919 580913111 /nfs/dbraw/zinc/91/31/11/580913111.db2.gz NZXRAODWLZQLHV-UHFFFAOYSA-N 1 2 335.473 1.548 20 30 EDEDLO CC[C@@H]1CC[C@H](C)CC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000797399938 580974541 /nfs/dbraw/zinc/97/45/41/580974541.db2.gz IXHOIDWKEFPORB-UONOGXRCSA-N 1 2 326.510 1.985 20 30 EDEDLO CN(C(=O)[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1)c1ccccc1 ZINC000797419659 580975380 /nfs/dbraw/zinc/97/53/80/580975380.db2.gz DKKJCLJDFIREJF-MRXNPFEDSA-N 1 2 336.395 1.662 20 30 EDEDLO CN(C(=O)[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1)c1ccccc1 ZINC000797419659 580975381 /nfs/dbraw/zinc/97/53/81/580975381.db2.gz DKKJCLJDFIREJF-MRXNPFEDSA-N 1 2 336.395 1.662 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000798353743 580995083 /nfs/dbraw/zinc/99/50/83/580995083.db2.gz DCVNOFNTTFKGRZ-HZPDHXFCSA-N 1 2 344.390 1.722 20 30 EDEDLO O=C1C=C([NH2+]Nc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]2CCCN12 ZINC000799479248 581028868 /nfs/dbraw/zinc/02/88/68/581028868.db2.gz YCFIIEVVCVMOQB-LBPRGKRZSA-N 1 2 343.355 1.846 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000800035476 581041173 /nfs/dbraw/zinc/04/11/73/581041173.db2.gz HVWLJULJSUOHHY-LLVKDONJSA-N 1 2 340.449 1.523 20 30 EDEDLO C[C@@H]1C[N@H+](CCOC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCO1 ZINC000800224411 581048268 /nfs/dbraw/zinc/04/82/68/581048268.db2.gz KIUFUGLJZZZGKC-CQSZACIVSA-N 1 2 340.383 1.621 20 30 EDEDLO C[C@@H]1C[N@@H+](CCOC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCO1 ZINC000800224411 581048269 /nfs/dbraw/zinc/04/82/69/581048269.db2.gz KIUFUGLJZZZGKC-CQSZACIVSA-N 1 2 340.383 1.621 20 30 EDEDLO CC(C)(C)OC(=O)N1CC([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000801553538 581079551 /nfs/dbraw/zinc/07/95/51/581079551.db2.gz RFGNVEKROWSDQP-UHFFFAOYSA-N 1 2 343.431 1.695 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000801919664 581088033 /nfs/dbraw/zinc/08/80/33/581088033.db2.gz GTVIVDVUECXWRB-AEFFLSMTSA-N 1 2 342.443 1.338 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Nc2nccn3c[nH+]cc23)C1 ZINC000893170450 590694886 /nfs/dbraw/zinc/69/48/86/590694886.db2.gz JWMYSBMOQKWFDR-VXGBXAGGSA-N 1 2 328.376 1.900 20 30 EDEDLO Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000890884890 590831621 /nfs/dbraw/zinc/83/16/21/590831621.db2.gz AIWUEGFMBZGZKI-MRXNPFEDSA-N 1 2 346.460 1.355 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)C2(c3ccc(C#N)cc3)CC2)C[N@@H+]1C ZINC000893576392 590978328 /nfs/dbraw/zinc/97/83/28/590978328.db2.gz VCAJJFMMMKAONO-QAPCUYQASA-N 1 2 342.395 1.769 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)C2(c3ccc(C#N)cc3)CC2)C[N@H+]1C ZINC000893576392 590978330 /nfs/dbraw/zinc/97/83/30/590978330.db2.gz VCAJJFMMMKAONO-QAPCUYQASA-N 1 2 342.395 1.769 20 30 EDEDLO Cc1nsc(N2CCN(c3nccn4c[nH+]cc34)CC2)c1C#N ZINC000893912300 591134888 /nfs/dbraw/zinc/13/48/88/591134888.db2.gz GOHNWKBSHTWTFY-UHFFFAOYSA-N 1 2 325.401 1.693 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C(C)C)C1 ZINC000891608079 591145891 /nfs/dbraw/zinc/14/58/91/591145891.db2.gz WYWOUBGGWNCJQG-OAHLLOKOSA-N 1 2 327.428 1.962 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C(C)C)C1 ZINC000891608079 591145893 /nfs/dbraw/zinc/14/58/93/591145893.db2.gz WYWOUBGGWNCJQG-OAHLLOKOSA-N 1 2 327.428 1.962 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000891608578 591148780 /nfs/dbraw/zinc/14/87/80/591148780.db2.gz ZVYHDPYEPDDYAG-MRXNPFEDSA-N 1 2 327.384 1.042 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000891608578 591148782 /nfs/dbraw/zinc/14/87/82/591148782.db2.gz ZVYHDPYEPDDYAG-MRXNPFEDSA-N 1 2 327.384 1.042 20 30 EDEDLO COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000895862070 591286046 /nfs/dbraw/zinc/28/60/46/591286046.db2.gz HXXLQHBPHDAYSF-LSDHHAIUSA-N 1 2 328.372 1.406 20 30 EDEDLO Cn1c[nH+]c(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000898625975 591448582 /nfs/dbraw/zinc/44/85/82/591448582.db2.gz BPGJYACYOYDNHY-MRXNPFEDSA-N 1 2 325.372 1.575 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c[nH+]1 ZINC000897608569 591583541 /nfs/dbraw/zinc/58/35/41/591583541.db2.gz TVGJIXPBRVCNOF-UHFFFAOYSA-N 1 2 338.415 1.542 20 30 EDEDLO COc1ncc(Br)cc1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895158043 591624332 /nfs/dbraw/zinc/62/43/32/591624332.db2.gz VUJLCTVSSSHNTL-SNVBAGLBSA-N 1 2 330.182 1.323 20 30 EDEDLO Cc1cc(NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c(C#N)c[nH+]1 ZINC000896962111 591695954 /nfs/dbraw/zinc/69/59/54/591695954.db2.gz BQTCEXIAHVZMHC-QGZVFWFLSA-N 1 2 332.404 1.467 20 30 EDEDLO C#CCC[N@@H+](CCOC)Cc1cn(C)nc1I ZINC000895351792 591725198 /nfs/dbraw/zinc/72/51/98/591725198.db2.gz WNLVZCPLXFZUAU-UHFFFAOYSA-N 1 2 347.200 1.496 20 30 EDEDLO C#CCC[N@H+](CCOC)Cc1cn(C)nc1I ZINC000895351792 591725200 /nfs/dbraw/zinc/72/52/00/591725200.db2.gz WNLVZCPLXFZUAU-UHFFFAOYSA-N 1 2 347.200 1.496 20 30 EDEDLO C=CCCCNC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000897950237 591734304 /nfs/dbraw/zinc/73/43/04/591734304.db2.gz YQDFASWGHLOWQR-INIZCTEOSA-N 1 2 326.400 1.823 20 30 EDEDLO Cc1c(C(=O)N2CC[NH+](Cc3ccco3)CC2)cnn1CCC#N ZINC000895500812 591782799 /nfs/dbraw/zinc/78/27/99/591782799.db2.gz NOTDEMVNDVIHAS-UHFFFAOYSA-N 1 2 327.388 1.656 20 30 EDEDLO C[N@@H+]1CCOC[C@]1(CO)CNc1nc(C(F)(F)F)ccc1C#N ZINC000895609473 591821654 /nfs/dbraw/zinc/82/16/54/591821654.db2.gz CJWDMQKBVBOIGZ-CYBMUJFWSA-N 1 2 330.310 1.077 20 30 EDEDLO C[N@H+]1CCOC[C@]1(CO)CNc1nc(C(F)(F)F)ccc1C#N ZINC000895609473 591821657 /nfs/dbraw/zinc/82/16/57/591821657.db2.gz CJWDMQKBVBOIGZ-CYBMUJFWSA-N 1 2 330.310 1.077 20 30 EDEDLO COCC[C@@H]1CCN(C[NH+]2CCN(c3ccccc3C#N)CC2)C1=O ZINC000902103159 591914209 /nfs/dbraw/zinc/91/42/09/591914209.db2.gz UAGPYCHPHMTDBT-INIZCTEOSA-N 1 2 342.443 1.523 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2N=S(C)(C)=O)CC1 ZINC000902096635 591917493 /nfs/dbraw/zinc/91/74/93/591917493.db2.gz VAHBZTDBJSXYFP-UHFFFAOYSA-N 1 2 348.472 1.235 20 30 EDEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(OCC#N)c2)C1 ZINC000900238104 591951639 /nfs/dbraw/zinc/95/16/39/591951639.db2.gz WJKFDPQXIKDLFN-CQSZACIVSA-N 1 2 345.399 1.803 20 30 EDEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(OCC#N)c2)C1 ZINC000900238104 591951640 /nfs/dbraw/zinc/95/16/40/591951640.db2.gz WJKFDPQXIKDLFN-CQSZACIVSA-N 1 2 345.399 1.803 20 30 EDEDLO C=C1C[NH+](C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)C1 ZINC000899900900 591976247 /nfs/dbraw/zinc/97/62/47/591976247.db2.gz YBEPHWQTOOAVOV-HNNXBMFYSA-N 1 2 343.383 1.270 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nc(Br)cs2)C1 ZINC000902730448 592053542 /nfs/dbraw/zinc/05/35/42/592053542.db2.gz RJZPYSZWQKJZHY-VIFPVBQESA-N 1 2 328.235 1.733 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nc(Br)cs2)C1 ZINC000902730448 592053545 /nfs/dbraw/zinc/05/35/45/592053545.db2.gz RJZPYSZWQKJZHY-VIFPVBQESA-N 1 2 328.235 1.733 20 30 EDEDLO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)CC1 ZINC000900600108 592065483 /nfs/dbraw/zinc/06/54/83/592065483.db2.gz IFQNGXQTZDCHAM-IJDCCNJMSA-N 1 2 330.428 1.649 20 30 EDEDLO N#C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000902917397 592081249 /nfs/dbraw/zinc/08/12/49/592081249.db2.gz RDKNVXMWNPZCGY-AWEZNQCLSA-N 1 2 329.404 1.363 20 30 EDEDLO N#C[C@H]1CN(C(=O)CNc2cccc[nH+]2)CCN1Cc1ccccc1 ZINC000900720659 592104195 /nfs/dbraw/zinc/10/41/95/592104195.db2.gz WCQFZVNGJGIDTN-KRWDZBQOSA-N 1 2 335.411 1.730 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000908072519 592306603 /nfs/dbraw/zinc/30/66/03/592306603.db2.gz JXXNUBRHGBZBCF-ZWKOTPCHSA-N 1 2 327.428 1.649 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000908072519 592306607 /nfs/dbraw/zinc/30/66/07/592306607.db2.gz JXXNUBRHGBZBCF-ZWKOTPCHSA-N 1 2 327.428 1.649 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1)[nH]c(=O)n2CC1CC1 ZINC000905495151 592552827 /nfs/dbraw/zinc/55/28/27/592552827.db2.gz HOHFQTFXTVBPMR-SFHVURJKSA-N 1 2 341.415 1.726 20 30 EDEDLO C=CC[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)C(=O)OC ZINC000905766381 592640185 /nfs/dbraw/zinc/64/01/85/592640185.db2.gz FHCJHTVIYKAGDR-CYBMUJFWSA-N 1 2 339.823 1.980 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2ccsc2C#N)C1 ZINC000907576241 592717794 /nfs/dbraw/zinc/71/77/94/592717794.db2.gz FSODTNYFKFQKIX-LLVKDONJSA-N 1 2 342.428 1.338 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2ccsc2C#N)C1 ZINC000907576241 592717795 /nfs/dbraw/zinc/71/77/95/592717795.db2.gz FSODTNYFKFQKIX-LLVKDONJSA-N 1 2 342.428 1.338 20 30 EDEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1CCC[C@@H](C#N)C1 ZINC000909298065 592793457 /nfs/dbraw/zinc/79/34/57/592793457.db2.gz UAQCCJHICHWQAY-PMPSAXMXSA-N 1 2 344.463 1.986 20 30 EDEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1CCC[C@@H](C#N)C1 ZINC000909298065 592793458 /nfs/dbraw/zinc/79/34/58/592793458.db2.gz UAQCCJHICHWQAY-PMPSAXMXSA-N 1 2 344.463 1.986 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000910841885 592895863 /nfs/dbraw/zinc/89/58/63/592895863.db2.gz MPDOGQHMTYYXSQ-CXAGYDPISA-N 1 2 329.404 1.236 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3Cc4cccnc4C3=O)C2)nc1 ZINC000840079791 593129051 /nfs/dbraw/zinc/12/90/51/593129051.db2.gz VJBZMQCOJKDUCW-HNNXBMFYSA-N 1 2 335.367 1.415 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3Cc4cccnc4C3=O)C2)nc1 ZINC000840079791 593129052 /nfs/dbraw/zinc/12/90/52/593129052.db2.gz VJBZMQCOJKDUCW-HNNXBMFYSA-N 1 2 335.367 1.415 20 30 EDEDLO Cc1nc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)ccc1C#N ZINC000839416878 593298615 /nfs/dbraw/zinc/29/86/15/593298615.db2.gz LFFLLAHCMXLTKX-UHFFFAOYSA-N 1 2 338.415 1.846 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)C(CC)(CC)C(=O)OC)CC1 ZINC000803352480 593322270 /nfs/dbraw/zinc/32/22/70/593322270.db2.gz KKVFODMTLLIAME-UHFFFAOYSA-N 1 2 337.416 1.423 20 30 EDEDLO Cc1nsc(N2CC[NH+](C[C@H](O)c3ccc(F)cn3)CC2)c1C#N ZINC000810063758 593378853 /nfs/dbraw/zinc/37/88/53/593378853.db2.gz ATQCGEXCGLUQBG-HNNXBMFYSA-N 1 2 347.419 1.713 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(Cc2ccccc2Cl)OC)CC1 ZINC000810139881 593385776 /nfs/dbraw/zinc/38/57/76/593385776.db2.gz YUGAGWYXZNMVRY-UHFFFAOYSA-N 1 2 335.835 1.481 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CCN(Cc2[nH+]ccn2CC)CC1 ZINC000810382635 593397489 /nfs/dbraw/zinc/39/74/89/593397489.db2.gz RLIFKGLBIMBRKY-UHFFFAOYSA-N 1 2 336.439 1.771 20 30 EDEDLO C[C@@H]1C[C@@H]1CN=Nc1ncccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000758370166 593402221 /nfs/dbraw/zinc/40/22/21/593402221.db2.gz MDUSNJCPQFZZLB-CHWSQXEVSA-N 1 2 337.449 1.071 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000810539514 593410762 /nfs/dbraw/zinc/41/07/62/593410762.db2.gz RLCMKHOBWFSRBW-LJQANCHMSA-N 1 2 342.439 1.160 20 30 EDEDLO C=CCN1CCN(C[NH+]2CCC(COC)(C(=O)OCC)CC2)C1=O ZINC000840059824 593439472 /nfs/dbraw/zinc/43/94/72/593439472.db2.gz ITUOWTXBNQLPRN-UHFFFAOYSA-N 1 2 339.436 1.159 20 30 EDEDLO C#Cc1cncc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000806347287 593439833 /nfs/dbraw/zinc/43/98/33/593439833.db2.gz IZJJXFMWLICOEW-UHFFFAOYSA-N 1 2 345.406 1.669 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C(=O)[C@@]3(CCCO3)[C@H]2C(C)C)C1=O ZINC000840063616 593452441 /nfs/dbraw/zinc/45/24/41/593452441.db2.gz LDNMFTQDESMDHH-HDMKZQKVSA-N 1 2 335.448 1.079 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C(=O)[C@@]3(CCCO3)[C@H]2C(C)C)C1=O ZINC000840063616 593452442 /nfs/dbraw/zinc/45/24/42/593452442.db2.gz LDNMFTQDESMDHH-HDMKZQKVSA-N 1 2 335.448 1.079 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1C#N ZINC000812334619 593497945 /nfs/dbraw/zinc/49/79/45/593497945.db2.gz PEGYHTJEXZJMAD-CMPLNLGQSA-N 1 2 332.429 1.404 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc1C#N ZINC000812334619 593497946 /nfs/dbraw/zinc/49/79/46/593497946.db2.gz PEGYHTJEXZJMAD-CMPLNLGQSA-N 1 2 332.429 1.404 20 30 EDEDLO CCn1c(N[NH+]=Cc2c(C)nn(C)c2N)nc2ccccc2c1=O ZINC000814770412 593602308 /nfs/dbraw/zinc/60/23/08/593602308.db2.gz CXTKGDLYKQOUNG-UHFFFAOYSA-N 1 2 325.376 1.487 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000815477470 593637904 /nfs/dbraw/zinc/63/79/04/593637904.db2.gz KFSOMDILQGMWEV-JTQLQIEISA-N 1 2 343.305 1.850 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000815697647 593647962 /nfs/dbraw/zinc/64/79/62/593647962.db2.gz JCBJDXWTRMTBDR-GFCCVEGCSA-N 1 2 329.429 1.511 20 30 EDEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCCN(O)C3=O)cn2c1 ZINC000820482798 593822935 /nfs/dbraw/zinc/82/29/35/593822935.db2.gz RRBNJWZOBOSPIV-CYBMUJFWSA-N 1 2 348.428 1.372 20 30 EDEDLO N#CCOc1cc(F)ccc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000821860661 593955186 /nfs/dbraw/zinc/95/51/86/593955186.db2.gz AVJQPLNBCPNWND-CQSZACIVSA-N 1 2 348.378 1.666 20 30 EDEDLO CCc1[nH+]c(CN=Nc2oc(C)nc2-c2nn[nH]n2)c2ccccn21 ZINC000825745522 594236166 /nfs/dbraw/zinc/23/61/66/594236166.db2.gz NBQAPYVIOPOGJW-UHFFFAOYSA-N 1 2 337.347 1.819 20 30 EDEDLO C#Cc1cnc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)nc1 ZINC000827619608 594245310 /nfs/dbraw/zinc/24/53/10/594245310.db2.gz ZSUZOYUMHHMRAH-KRWDZBQOSA-N 1 2 342.830 1.967 20 30 EDEDLO N#Cc1ncn(Cc2cn3cc(Cl)ccc3[nH+]2)c1-c1nn[nH]n1 ZINC000826388225 594455522 /nfs/dbraw/zinc/45/55/22/594455522.db2.gz NTWHYTNLZTXWNO-UHFFFAOYSA-N 1 2 325.723 1.284 20 30 EDEDLO C#CCOCCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826598361 594535996 /nfs/dbraw/zinc/53/59/96/594535996.db2.gz PVNXMLUAKALVOF-GOSISDBHSA-N 1 2 330.428 1.352 20 30 EDEDLO C#CCOCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826598361 594535998 /nfs/dbraw/zinc/53/59/98/594535998.db2.gz PVNXMLUAKALVOF-GOSISDBHSA-N 1 2 330.428 1.352 20 30 EDEDLO C#CC1CCN(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)CC1 ZINC000826641079 594545148 /nfs/dbraw/zinc/54/51/48/594545148.db2.gz ZPTYFEXGCLUQOZ-UHFFFAOYSA-N 1 2 349.475 1.311 20 30 EDEDLO N#Cc1ccc(CC(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)cn1 ZINC000829034540 594553978 /nfs/dbraw/zinc/55/39/78/594553978.db2.gz KVJJPPUOZCBHNZ-KRWDZBQOSA-N 1 2 333.395 1.902 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N(C(C)C)C2CCCC2)CC1 ZINC000831691537 594693061 /nfs/dbraw/zinc/69/30/61/594693061.db2.gz QFNLTDFQLAMUHU-UHFFFAOYSA-N 1 2 335.448 1.945 20 30 EDEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N(C)C[C@@H](C)O ZINC000841653410 594931379 /nfs/dbraw/zinc/93/13/79/594931379.db2.gz IAJLUZHZIDKGSZ-LLVKDONJSA-N 1 2 337.383 1.607 20 30 EDEDLO C[C@@H](ON=C(N)C[NH+]1CCSCC1)c1nc(C(C)(C)C)no1 ZINC000121466849 594996472 /nfs/dbraw/zinc/99/64/72/594996472.db2.gz MYAZOIJTBIJEFD-SNVBAGLBSA-N 1 2 327.454 1.766 20 30 EDEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2sccc2CC#N)C[C@@H]1C ZINC000867204020 595022046 /nfs/dbraw/zinc/02/20/46/595022046.db2.gz ROABWPZKNDXLLS-LBPRGKRZSA-N 1 2 335.429 1.524 20 30 EDEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2sccc2CC#N)C[C@@H]1C ZINC000867204020 595022049 /nfs/dbraw/zinc/02/20/49/595022049.db2.gz ROABWPZKNDXLLS-LBPRGKRZSA-N 1 2 335.429 1.524 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1=O ZINC000842238850 595050249 /nfs/dbraw/zinc/05/02/49/595050249.db2.gz ZWBKTIXVCOEIBO-DLBZAZTESA-N 1 2 341.411 1.312 20 30 EDEDLO C[C@@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CO1 ZINC000843266423 595058061 /nfs/dbraw/zinc/05/80/61/595058061.db2.gz LWHBXHGRMJVSLO-VXGBXAGGSA-N 1 2 326.400 1.824 20 30 EDEDLO C#CC1CC[NH+](Cn2nc(N3CCOCC3)n(CC)c2=S)CC1 ZINC000842633476 595151009 /nfs/dbraw/zinc/15/10/09/595151009.db2.gz IXBZFFGIRWZZIY-UHFFFAOYSA-N 1 2 335.477 1.573 20 30 EDEDLO C=CCCCCOC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000837690054 595169399 /nfs/dbraw/zinc/16/93/99/595169399.db2.gz JFNXDTYLYRCAIU-MRXNPFEDSA-N 1 2 338.448 1.599 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)c(C)c2)CC1 ZINC000843798120 595188737 /nfs/dbraw/zinc/18/87/37/595188737.db2.gz QIWLXYPZYPXVSQ-UHFFFAOYSA-N 1 2 327.428 1.223 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C)n2CC(=C)C)CC1 ZINC000843015441 595265265 /nfs/dbraw/zinc/26/52/65/595265265.db2.gz WEPNXWZRXJUADR-JKSUJKDBSA-N 1 2 329.448 1.502 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H](CO)CCF)CC1=O ZINC000844271580 595314888 /nfs/dbraw/zinc/31/48/88/595314888.db2.gz YZMOPFWNCCVHGP-LLVKDONJSA-N 1 2 332.379 1.367 20 30 EDEDLO C=C(C)CONC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000844285083 595316658 /nfs/dbraw/zinc/31/66/58/595316658.db2.gz PPOSFAARWXPZEH-UHFFFAOYSA-N 1 2 346.431 1.896 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000844411595 595339801 /nfs/dbraw/zinc/33/98/01/595339801.db2.gz GABWQSQOMLHOBX-KRWDZBQOSA-N 1 2 339.399 1.776 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1C ZINC000844431828 595342653 /nfs/dbraw/zinc/34/26/53/595342653.db2.gz WYHVUFBZEAOOKW-WOGXIUBCSA-N 1 2 345.468 1.755 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1C ZINC000844431828 595342655 /nfs/dbraw/zinc/34/26/55/595342655.db2.gz WYHVUFBZEAOOKW-WOGXIUBCSA-N 1 2 345.468 1.755 20 30 EDEDLO C=CCCCCC[NH+]1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC000846964557 595343441 /nfs/dbraw/zinc/34/34/41/595343441.db2.gz MQBSRPYCBYDHKS-UHFFFAOYSA-N 1 2 337.511 1.323 20 30 EDEDLO COC(=O)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCC[C@@H](OC)C1 ZINC000844446018 595344337 /nfs/dbraw/zinc/34/43/37/595344337.db2.gz JBEATMGAXRLAJR-ZJPYXAASSA-N 1 2 346.427 1.928 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000847028569 595353054 /nfs/dbraw/zinc/35/30/54/595353054.db2.gz HRGYZBPUJABPNL-ZFWWWQNUSA-N 1 2 334.379 1.857 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000847028569 595353056 /nfs/dbraw/zinc/35/30/56/595353056.db2.gz HRGYZBPUJABPNL-ZFWWWQNUSA-N 1 2 334.379 1.857 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000847036008 595354666 /nfs/dbraw/zinc/35/46/66/595354666.db2.gz OEVCLVDFAGZRQU-AWEZNQCLSA-N 1 2 334.441 1.052 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000847036008 595354669 /nfs/dbraw/zinc/35/46/69/595354669.db2.gz OEVCLVDFAGZRQU-AWEZNQCLSA-N 1 2 334.441 1.052 20 30 EDEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(Br)n1 ZINC000844529330 595355863 /nfs/dbraw/zinc/35/58/63/595355863.db2.gz RBCGRPOUMPYQPF-ZDUSSCGKSA-N 1 2 325.210 1.726 20 30 EDEDLO C[C@H](CC(=O)OCC(=O)NCc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000845281530 595474237 /nfs/dbraw/zinc/47/42/37/595474237.db2.gz KWBCIFQAORNKRN-CYBMUJFWSA-N 1 2 326.356 1.565 20 30 EDEDLO N#CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000850539112 595531052 /nfs/dbraw/zinc/53/10/52/595531052.db2.gz AHVDZRUULOCGIA-CYBMUJFWSA-N 1 2 338.371 1.358 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000860048751 595556535 /nfs/dbraw/zinc/55/65/35/595556535.db2.gz CIRHLKPNDQCOIR-UKRRQHHQSA-N 1 2 337.217 1.306 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000860048751 595556538 /nfs/dbraw/zinc/55/65/38/595556538.db2.gz CIRHLKPNDQCOIR-UKRRQHHQSA-N 1 2 337.217 1.306 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2nnn(-c3ccccc3Cl)c2C)CC1 ZINC000112920135 595563593 /nfs/dbraw/zinc/56/35/93/595563593.db2.gz IRRWQIYMNLIMII-UHFFFAOYSA-N 1 2 343.818 1.620 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1 ZINC000112921016 595569173 /nfs/dbraw/zinc/56/91/73/595569173.db2.gz NNZJDIFWGAUMSN-UHFFFAOYSA-N 1 2 348.406 1.725 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N(C)CC(C)(C)[NH3+])cc2[nH]c1=S ZINC000852841146 595570593 /nfs/dbraw/zinc/57/05/93/595570593.db2.gz FPVDEFHCDXCKSY-UHFFFAOYSA-N 1 2 346.456 1.681 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000858125961 595706058 /nfs/dbraw/zinc/70/60/58/595706058.db2.gz PJYNLJQRZWLDCP-KRWDZBQOSA-N 1 2 326.400 1.769 20 30 EDEDLO CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853524031 595784521 /nfs/dbraw/zinc/78/45/21/595784521.db2.gz KHKFNYJHGLIWJJ-DYVFJYSZSA-N 1 2 344.419 1.160 20 30 EDEDLO CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853524031 595784522 /nfs/dbraw/zinc/78/45/22/595784522.db2.gz KHKFNYJHGLIWJJ-DYVFJYSZSA-N 1 2 344.419 1.160 20 30 EDEDLO CC1(C)C[C@]2(NC(=O)N(C[N@@H+]3CCC[C@H](CC#N)C3)C2=O)C(C)(C)O1 ZINC000853525075 595784804 /nfs/dbraw/zinc/78/48/04/595784804.db2.gz RUONIOWITHSTDY-FZKQIMNGSA-N 1 2 348.447 1.838 20 30 EDEDLO CC1(C)C[C@]2(NC(=O)N(C[N@H+]3CCC[C@H](CC#N)C3)C2=O)C(C)(C)O1 ZINC000853525075 595784809 /nfs/dbraw/zinc/78/48/09/595784809.db2.gz RUONIOWITHSTDY-FZKQIMNGSA-N 1 2 348.447 1.838 20 30 EDEDLO C=CC[N@H+](CN1C[C@H](C(=O)OC(C)(C)C)CC1=O)[C@H](C)COC ZINC000853534156 595789230 /nfs/dbraw/zinc/78/92/30/595789230.db2.gz GZMNZLVYKVWCBJ-ZIAGYGMSSA-N 1 2 326.437 1.657 20 30 EDEDLO C=CC[N@@H+](CN1C[C@H](C(=O)OC(C)(C)C)CC1=O)[C@H](C)COC ZINC000853534156 595789233 /nfs/dbraw/zinc/78/92/33/595789233.db2.gz GZMNZLVYKVWCBJ-ZIAGYGMSSA-N 1 2 326.437 1.657 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C ZINC000853619449 595834392 /nfs/dbraw/zinc/83/43/92/595834392.db2.gz BPIYQPPWOQUXGW-HUUCEWRRSA-N 1 2 335.448 1.662 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C ZINC000853619449 595834396 /nfs/dbraw/zinc/83/43/96/595834396.db2.gz BPIYQPPWOQUXGW-HUUCEWRRSA-N 1 2 335.448 1.662 20 30 EDEDLO CS(=O)(=O)N1CC[C@@H](CO[NH+]=C(N)c2ccc(Cl)cc2)C1 ZINC000853646773 595845176 /nfs/dbraw/zinc/84/51/76/595845176.db2.gz ZBUBUEQPTOIDEZ-SNVBAGLBSA-N 1 2 331.825 1.258 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc(C#N)ccc2F)[C@@H](C)CO1 ZINC000853796067 595883148 /nfs/dbraw/zinc/88/31/48/595883148.db2.gz ZLJGDSRMJQRQJN-QWHCGFSZSA-N 1 2 334.395 1.606 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(C#N)ccc2F)[C@@H](C)CO1 ZINC000853796067 595883152 /nfs/dbraw/zinc/88/31/52/595883152.db2.gz ZLJGDSRMJQRQJN-QWHCGFSZSA-N 1 2 334.395 1.606 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000111661488 595901603 /nfs/dbraw/zinc/90/16/03/595901603.db2.gz GINTXJAOUUOTQX-LJQANCHMSA-N 1 2 339.439 1.518 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)CC1 ZINC000854038508 595959300 /nfs/dbraw/zinc/95/93/00/595959300.db2.gz AWVOFLDTMZMXGH-SFHVURJKSA-N 1 2 326.444 1.242 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)CC1 ZINC000854038508 595959302 /nfs/dbraw/zinc/95/93/02/595959302.db2.gz AWVOFLDTMZMXGH-SFHVURJKSA-N 1 2 326.444 1.242 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CC(C)(C)[C@@H]2c2cccnc2)CC1 ZINC000854038508 595959305 /nfs/dbraw/zinc/95/93/05/595959305.db2.gz AWVOFLDTMZMXGH-SFHVURJKSA-N 1 2 326.444 1.242 20 30 EDEDLO N#Cc1ccc(F)c(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)c1 ZINC000854340688 596042758 /nfs/dbraw/zinc/04/27/58/596042758.db2.gz LWWRATPMCXGTKO-UHFFFAOYSA-N 1 2 343.362 1.996 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1cn2ccc(C)cc2[nH+]1)C1CCOCC1 ZINC000852124364 596052191 /nfs/dbraw/zinc/05/21/91/596052191.db2.gz TUPPFIYRZPZAHL-MRXNPFEDSA-N 1 2 326.400 1.870 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1)C(C)C ZINC000852303872 596118633 /nfs/dbraw/zinc/11/86/33/596118633.db2.gz BJUSHWQDICFVCK-RTBURBONSA-N 1 2 342.487 1.760 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1)C(C)C ZINC000852303872 596118636 /nfs/dbraw/zinc/11/86/36/596118636.db2.gz BJUSHWQDICFVCK-RTBURBONSA-N 1 2 342.487 1.760 20 30 EDEDLO N#CCc1ccsc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000866607608 596267695 /nfs/dbraw/zinc/26/76/95/596267695.db2.gz DIEQKUBPLQIKAX-HNNXBMFYSA-N 1 2 349.456 1.377 20 30 EDEDLO N#Cc1ccccc1CSCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864570174 596268292 /nfs/dbraw/zinc/26/82/92/596268292.db2.gz ISCFLMDMBGYRPI-UTCJRWHESA-N 1 2 345.468 1.796 20 30 EDEDLO COCC(COC)[NH+]1CCN(C(=O)c2sccc2CC#N)CC1 ZINC000868863173 596329648 /nfs/dbraw/zinc/32/96/48/596329648.db2.gz VFMCRUWHUPJCJW-UHFFFAOYSA-N 1 2 337.445 1.233 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)c1 ZINC000864940173 596422316 /nfs/dbraw/zinc/42/23/16/596422316.db2.gz YIMQESPMGBATAY-AWEZNQCLSA-N 1 2 349.381 1.700 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)c1 ZINC000864940173 596422319 /nfs/dbraw/zinc/42/23/19/596422319.db2.gz YIMQESPMGBATAY-AWEZNQCLSA-N 1 2 349.381 1.700 20 30 EDEDLO CC1(C)Cc2nc(N)sc2C(=[NH+]N[C@H]2CCCS(=O)(=O)C2)C1 ZINC000863131615 596505867 /nfs/dbraw/zinc/50/58/67/596505867.db2.gz LCODWDYJJVZZRL-VIFPVBQESA-N 1 2 342.490 1.569 20 30 EDEDLO N#CCc1cccc2c1CCN(C(=O)/C=C/C[NH+]1CCOCC1)C2 ZINC000869494948 596540772 /nfs/dbraw/zinc/54/07/72/596540772.db2.gz OXEHUCUOSHYBGW-GORDUTHDSA-N 1 2 325.412 1.526 20 30 EDEDLO C=CCN1CC(=O)N(C[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1=O ZINC000865331011 596542397 /nfs/dbraw/zinc/54/23/97/596542397.db2.gz NNSMCAFVWXYUIM-KRWDZBQOSA-N 1 2 343.427 1.646 20 30 EDEDLO C=CCN1CC(=O)N(C[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1=O ZINC000865331011 596542398 /nfs/dbraw/zinc/54/23/98/596542398.db2.gz NNSMCAFVWXYUIM-KRWDZBQOSA-N 1 2 343.427 1.646 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867796166 596554867 /nfs/dbraw/zinc/55/48/67/596554867.db2.gz WYUPJJMMNDNVFH-XJKSGUPXSA-N 1 2 336.461 1.489 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867796166 596554869 /nfs/dbraw/zinc/55/48/69/596554869.db2.gz WYUPJJMMNDNVFH-XJKSGUPXSA-N 1 2 336.461 1.489 20 30 EDEDLO COc1cc(C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)ccc1C#N ZINC000865574157 596615407 /nfs/dbraw/zinc/61/54/07/596615407.db2.gz RYMSLWLBZCSGQE-INIZCTEOSA-N 1 2 327.388 1.627 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(-c3cnc4[nH]ccc4c3)ccn2)CC1 ZINC000865794446 596685946 /nfs/dbraw/zinc/68/59/46/596685946.db2.gz CFBYSEUMAANBBU-UHFFFAOYSA-N 1 2 345.406 1.968 20 30 EDEDLO C#CCN1C(=O)C[C@@H]([N@H+]2CCc3cccc(C(F)(F)F)c3C2)C1=O ZINC000864351375 596864212 /nfs/dbraw/zinc/86/42/12/596864212.db2.gz RLDBOOPUJUAVKO-CQSZACIVSA-N 1 2 336.313 1.824 20 30 EDEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2CCc3cccc(C(F)(F)F)c3C2)C1=O ZINC000864351375 596864215 /nfs/dbraw/zinc/86/42/15/596864215.db2.gz RLDBOOPUJUAVKO-CQSZACIVSA-N 1 2 336.313 1.824 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(CC#N)cc1 ZINC000875686292 596947050 /nfs/dbraw/zinc/94/70/50/596947050.db2.gz RYGRFDFOKPLIBD-QGZVFWFLSA-N 1 2 330.432 1.663 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(CC#N)cc1 ZINC000875686292 596947051 /nfs/dbraw/zinc/94/70/51/596947051.db2.gz RYGRFDFOKPLIBD-QGZVFWFLSA-N 1 2 330.432 1.663 20 30 EDEDLO C=C[C@@H](C)ONC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000875700144 596951835 /nfs/dbraw/zinc/95/18/35/596951835.db2.gz FNBGRZIZJCYKQK-GFCCVEGCSA-N 1 2 327.425 1.598 20 30 EDEDLO Cc1ccc(Br)c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1C#N ZINC000872582484 596975686 /nfs/dbraw/zinc/97/56/86/596975686.db2.gz LIUUTHZLNFMMRI-GFCCVEGCSA-N 1 2 336.233 1.884 20 30 EDEDLO Cc1ccc(Br)c(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1C#N ZINC000872582484 596975687 /nfs/dbraw/zinc/97/56/87/596975687.db2.gz LIUUTHZLNFMMRI-GFCCVEGCSA-N 1 2 336.233 1.884 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000876192512 597126981 /nfs/dbraw/zinc/12/69/81/597126981.db2.gz BLFBVQGXLFASCG-SJLPKXTDSA-N 1 2 329.444 1.859 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000876192512 597126984 /nfs/dbraw/zinc/12/69/84/597126984.db2.gz BLFBVQGXLFASCG-SJLPKXTDSA-N 1 2 329.444 1.859 20 30 EDEDLO Cn1ccnc1[C@](O)(C[NH2+]Cc1cccc(F)c1C#N)C(F)(F)F ZINC000873051458 597172033 /nfs/dbraw/zinc/17/20/33/597172033.db2.gz JGHLWDOFZWCKEO-CQSZACIVSA-N 1 2 342.296 1.971 20 30 EDEDLO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876637471 597270770 /nfs/dbraw/zinc/27/07/70/597270770.db2.gz WVZLNRAEMYYIOI-OAHLLOKOSA-N 1 2 341.839 1.841 20 30 EDEDLO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876637471 597270771 /nfs/dbraw/zinc/27/07/71/597270771.db2.gz WVZLNRAEMYYIOI-OAHLLOKOSA-N 1 2 341.839 1.841 20 30 EDEDLO Cc1nc(CN2CC[NH+](Cc3cc(C#N)ccc3N(C)C)CC2)no1 ZINC000876715371 597301910 /nfs/dbraw/zinc/30/19/10/597301910.db2.gz MXHLMJBYDOQLIL-UHFFFAOYSA-N 1 2 340.431 1.634 20 30 EDEDLO CONC(=O)C1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000879923509 597766407 /nfs/dbraw/zinc/76/64/07/597766407.db2.gz GZSKSRXBGHMFER-ZDUSSCGKSA-N 1 2 348.428 1.115 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cc(C)n(CCC#N)n1 ZINC000879077479 597812014 /nfs/dbraw/zinc/81/20/14/597812014.db2.gz AYWBNIXYYYZSKQ-CQSZACIVSA-N 1 2 334.424 1.338 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cc(C)n(CCC#N)n1 ZINC000879077479 597812017 /nfs/dbraw/zinc/81/20/17/597812017.db2.gz AYWBNIXYYYZSKQ-CQSZACIVSA-N 1 2 334.424 1.338 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000884061655 597983326 /nfs/dbraw/zinc/98/33/26/597983326.db2.gz OTINJAOKHBEXGG-INIZCTEOSA-N 1 2 342.399 1.277 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000884103961 597995803 /nfs/dbraw/zinc/99/58/03/597995803.db2.gz YPSUUPLGXSFJRI-CWRNSKLLSA-N 1 2 332.400 1.422 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)N1CCc2ccccc21 ZINC000884194073 598022666 /nfs/dbraw/zinc/02/26/66/598022666.db2.gz YQSQQLPQMBLIID-ZFWWWQNUSA-N 1 2 331.416 1.000 20 30 EDEDLO COc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000880881671 598025075 /nfs/dbraw/zinc/02/50/75/598025075.db2.gz KDMJSZZHKLTZLC-GASCZTMLSA-N 1 2 330.388 1.552 20 30 EDEDLO COc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000880881671 598025079 /nfs/dbraw/zinc/02/50/79/598025079.db2.gz KDMJSZZHKLTZLC-GASCZTMLSA-N 1 2 330.388 1.552 20 30 EDEDLO C#CCC1(O)CCN(c2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000882968259 598120919 /nfs/dbraw/zinc/12/09/19/598120919.db2.gz IYCOFUPMRARLAZ-GJZGRUSLSA-N 1 2 330.432 1.038 20 30 EDEDLO C#CCC1(O)CCN(c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000882968259 598120921 /nfs/dbraw/zinc/12/09/21/598120921.db2.gz IYCOFUPMRARLAZ-GJZGRUSLSA-N 1 2 330.432 1.038 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001031077517 695478940 /nfs/dbraw/zinc/47/89/40/695478940.db2.gz XYMOPQJHGASJIF-ULQDDVLXSA-N 1 2 336.476 1.973 20 30 EDEDLO Cc1nc(N[C@@H]2CC[C@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)cc[nH+]1 ZINC001060516740 695690305 /nfs/dbraw/zinc/69/03/05/695690305.db2.gz CLHXIORFIQVDQN-VBNZEHGJSA-N 1 2 336.399 1.948 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)CC1 ZINC000939916963 700036308 /nfs/dbraw/zinc/03/63/08/700036308.db2.gz ZYVXHTPYOUAVSG-CXAGYDPISA-N 1 2 344.459 1.970 20 30 EDEDLO N#Cc1cccnc1N[C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]12 ZINC001060535542 695836584 /nfs/dbraw/zinc/83/65/84/695836584.db2.gz POYDVYRRSIJJNB-BZUAXINKSA-N 1 2 336.399 1.499 20 30 EDEDLO Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)cn1 ZINC000993232624 695852034 /nfs/dbraw/zinc/85/20/34/695852034.db2.gz KIUJHYRCFWUADK-BBRMVZONSA-N 1 2 338.415 1.768 20 30 EDEDLO Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)cn1 ZINC000993232624 695852035 /nfs/dbraw/zinc/85/20/35/695852035.db2.gz KIUJHYRCFWUADK-BBRMVZONSA-N 1 2 338.415 1.768 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H](OC)c3ccccc3)C2)cn1 ZINC001031278376 696106380 /nfs/dbraw/zinc/10/63/80/696106380.db2.gz KEPBLVZRLVAAMV-IBGZPJMESA-N 1 2 335.407 1.865 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccnn2CCOC)[C@H]1C ZINC000993469678 696151061 /nfs/dbraw/zinc/15/10/61/696151061.db2.gz OZMYOCZPSUUWKE-KGLIPLIRSA-N 1 2 340.855 1.865 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccnn2CCOC)[C@H]1C ZINC000993469678 696151066 /nfs/dbraw/zinc/15/10/66/696151066.db2.gz OZMYOCZPSUUWKE-KGLIPLIRSA-N 1 2 340.855 1.865 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2CCC2)C1 ZINC000993624747 696289136 /nfs/dbraw/zinc/28/91/36/696289136.db2.gz RJTADRPLSXVTBI-HUUCEWRRSA-N 1 2 344.459 1.843 20 30 EDEDLO Cc1nn[nH]c1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993677629 696304593 /nfs/dbraw/zinc/30/45/93/696304593.db2.gz ZKYCJLJIKXZAIW-BBRMVZONSA-N 1 2 338.415 1.768 20 30 EDEDLO Cc1nn[nH]c1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993677629 696304596 /nfs/dbraw/zinc/30/45/96/696304596.db2.gz ZKYCJLJIKXZAIW-BBRMVZONSA-N 1 2 338.415 1.768 20 30 EDEDLO C[C@H](C#N)C(=O)NCc1ccc([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001060622084 696421086 /nfs/dbraw/zinc/42/10/86/696421086.db2.gz JDGJYBAKDIVYSI-OLZOCXBDSA-N 1 2 339.399 1.605 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnc(C)cn3)[C@H]2C)cn1 ZINC000994249988 696641874 /nfs/dbraw/zinc/64/18/74/696641874.db2.gz KCSLLCAXQKSFQR-KXBFYZLASA-N 1 2 349.438 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnc(C)cn3)[C@H]2C)cn1 ZINC000994249988 696641875 /nfs/dbraw/zinc/64/18/75/696641875.db2.gz KCSLLCAXQKSFQR-KXBFYZLASA-N 1 2 349.438 1.944 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cc[n+]([O-])cc3)C2)c(F)c1 ZINC001031537716 697223357 /nfs/dbraw/zinc/22/33/57/697223357.db2.gz XZFLMXNWRXDWNJ-UHFFFAOYSA-N 1 2 340.358 1.193 20 30 EDEDLO Cc1ocnc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031568216 697259281 /nfs/dbraw/zinc/25/92/81/697259281.db2.gz UFDGVKUBBFJIHA-UHFFFAOYSA-N 1 2 327.359 1.835 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)c1cncs1 ZINC001031567418 697260152 /nfs/dbraw/zinc/26/01/52/697260152.db2.gz OJXICZZRXLTQOS-UHFFFAOYSA-N 1 2 329.400 1.996 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000994616819 697320478 /nfs/dbraw/zinc/32/04/78/697320478.db2.gz SHLFAWLIBUIPPC-SCLBCKFNSA-N 1 2 330.432 1.375 20 30 EDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000352795152 697389651 /nfs/dbraw/zinc/38/96/51/697389651.db2.gz SHIMTBYFLBAAET-SFHVURJKSA-N 1 2 348.443 1.930 20 30 EDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000352795152 697389652 /nfs/dbraw/zinc/38/96/52/697389652.db2.gz SHIMTBYFLBAAET-SFHVURJKSA-N 1 2 348.443 1.930 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCC[C@@H](C#N)C2)nc[nH+]1 ZINC000920835822 697484403 /nfs/dbraw/zinc/48/44/03/697484403.db2.gz NNKIODVAKMANJH-UONOGXRCSA-N 1 2 343.435 1.432 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCC[C@@H](C#N)C2)[nH+]cn1 ZINC000920835822 697484405 /nfs/dbraw/zinc/48/44/05/697484405.db2.gz NNKIODVAKMANJH-UONOGXRCSA-N 1 2 343.435 1.432 20 30 EDEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)CC(C)(C)CC#N)n1 ZINC000921093461 697513255 /nfs/dbraw/zinc/51/32/55/697513255.db2.gz ONHYEYOMKUDYCX-UHFFFAOYSA-N 1 2 330.479 1.564 20 30 EDEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)CC2(C#N)CCCC2)n1 ZINC000921105763 697515372 /nfs/dbraw/zinc/51/53/72/697515372.db2.gz WRSNXASKVVIZED-UHFFFAOYSA-N 1 2 342.490 1.708 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)o1 ZINC000921322308 697550955 /nfs/dbraw/zinc/55/09/55/697550955.db2.gz QFDYYIWUQDXHMC-NEPJUHHUSA-N 1 2 327.431 1.009 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)o1 ZINC000921322308 697550957 /nfs/dbraw/zinc/55/09/57/697550957.db2.gz QFDYYIWUQDXHMC-NEPJUHHUSA-N 1 2 327.431 1.009 20 30 EDEDLO C=C1CC(C)(C(=O)N2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000943343777 698123318 /nfs/dbraw/zinc/12/33/18/698123318.db2.gz YFWIITAUEQJGLL-HNNXBMFYSA-N 1 2 330.432 1.737 20 30 EDEDLO CCOCC[N@H+](C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000179876334 698416071 /nfs/dbraw/zinc/41/60/71/698416071.db2.gz MKCIGHVZMRSPQB-KRWDZBQOSA-N 1 2 330.388 1.251 20 30 EDEDLO CCOCC[N@@H+](C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000179876334 698416072 /nfs/dbraw/zinc/41/60/72/698416072.db2.gz MKCIGHVZMRSPQB-KRWDZBQOSA-N 1 2 330.388 1.251 20 30 EDEDLO C=CCOc1ccccc1C(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001031778515 699177654 /nfs/dbraw/zinc/17/76/54/699177654.db2.gz MDWJSWDTOJZIAA-UHFFFAOYSA-N 1 2 340.427 1.847 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4ccsc43)CC2)C1 ZINC000941629930 701599923 /nfs/dbraw/zinc/59/99/23/701599923.db2.gz AWSWZNJCTCRQOA-UHFFFAOYSA-N 1 2 339.464 1.977 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ncsc3C(C)C)CC2)C1 ZINC000941636911 701602265 /nfs/dbraw/zinc/60/22/65/701602265.db2.gz YGAALJZTVGGDJW-UHFFFAOYSA-N 1 2 346.500 1.732 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](F)CC3CCCCC3)CC2)C1 ZINC000941639714 701603200 /nfs/dbraw/zinc/60/32/00/701603200.db2.gz WVMHIAMEANIZPZ-SFHVURJKSA-N 1 2 335.467 1.757 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)C1 ZINC000941658306 701607490 /nfs/dbraw/zinc/60/74/90/701607490.db2.gz XUUGRHZJQQFVMQ-UHFFFAOYSA-N 1 2 343.496 1.702 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]c4cccnc34)CC2)C1 ZINC000941641045 701608369 /nfs/dbraw/zinc/60/83/69/701608369.db2.gz QBOXDVVKHOFUID-UHFFFAOYSA-N 1 2 337.427 1.028 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)ccc3C)CC2)C1 ZINC000941651203 701611860 /nfs/dbraw/zinc/61/18/60/701611860.db2.gz WPJZAXKJOMXVKC-UHFFFAOYSA-N 1 2 325.456 1.769 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000944252564 701630223 /nfs/dbraw/zinc/63/02/23/701630223.db2.gz DTMGMCWRGUNLBY-QWHCGFSZSA-N 1 2 325.372 1.215 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000944253949 701632247 /nfs/dbraw/zinc/63/22/47/701632247.db2.gz XFTUGILVZSHLNZ-WCQYABFASA-N 1 2 325.372 1.443 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)C1 ZINC000945516420 700440793 /nfs/dbraw/zinc/44/07/93/700440793.db2.gz UUOQAUWDGPWNFU-UONOGXRCSA-N 1 2 330.432 1.662 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000940718871 700868272 /nfs/dbraw/zinc/86/82/72/700868272.db2.gz MMXDTJSLCGYSCP-KEYYUXOJSA-N 1 2 346.431 1.041 20 30 EDEDLO Cc1cnn(C)c1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031908502 700888658 /nfs/dbraw/zinc/88/86/58/700888658.db2.gz CSEBOZCNXSFZLE-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2-c2ccccn2)C(C)(C)C1 ZINC000940790960 700911720 /nfs/dbraw/zinc/91/17/20/700911720.db2.gz KUVVNINEBWWRBK-INIZCTEOSA-N 1 2 337.427 1.935 20 30 EDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2-c2ccccn2)C(C)(C)C1 ZINC000940790960 700911721 /nfs/dbraw/zinc/91/17/21/700911721.db2.gz KUVVNINEBWWRBK-INIZCTEOSA-N 1 2 337.427 1.935 20 30 EDEDLO C[C@@H](CC(=O)N1CCCN(C(=O)C#CC2CC2)CC1)n1cc[nH+]c1 ZINC000941004259 701047624 /nfs/dbraw/zinc/04/76/24/701047624.db2.gz UNPCLMKAGJLCRD-HNNXBMFYSA-N 1 2 328.416 1.309 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC001031924383 701115447 /nfs/dbraw/zinc/11/54/47/701115447.db2.gz LSNFBSZDAUNRFJ-LBPRGKRZSA-N 1 2 339.789 1.671 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000941227835 701417212 /nfs/dbraw/zinc/41/72/12/701417212.db2.gz BCIJJFWMMXWWQE-HUUCEWRRSA-N 1 2 344.459 1.765 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccc3nonc3c2)C1 ZINC001031946248 701492493 /nfs/dbraw/zinc/49/24/93/701492493.db2.gz NVKBAQKMIFJUDT-UHFFFAOYSA-N 1 2 347.378 1.956 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)CC2)C1 ZINC000941420131 701532607 /nfs/dbraw/zinc/53/26/07/701532607.db2.gz QYUNLIFBLWIOPP-SFHVURJKSA-N 1 2 329.488 1.975 20 30 EDEDLO CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001032132058 701859975 /nfs/dbraw/zinc/85/99/75/701859975.db2.gz GVAIBHYKMXUWCK-UHFFFAOYSA-N 1 2 349.438 1.881 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cnn4cc[nH]c34)C2)s1 ZINC001032153583 701940554 /nfs/dbraw/zinc/94/05/54/701940554.db2.gz UVKNNHNFGDKIGM-UHFFFAOYSA-N 1 2 340.412 1.457 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)o1 ZINC000941928335 702152785 /nfs/dbraw/zinc/15/27/85/702152785.db2.gz DBENNCYXRGXZRS-MFKMUULPSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)o1 ZINC000941928335 702152790 /nfs/dbraw/zinc/15/27/90/702152790.db2.gz DBENNCYXRGXZRS-MFKMUULPSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)n1 ZINC000941965873 702260313 /nfs/dbraw/zinc/26/03/13/702260313.db2.gz DPFXBPSNGMQPHH-SWLSCSKDSA-N 1 2 338.415 1.625 20 30 EDEDLO Cc1ccnc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)n1 ZINC000941965873 702260316 /nfs/dbraw/zinc/26/03/16/702260316.db2.gz DPFXBPSNGMQPHH-SWLSCSKDSA-N 1 2 338.415 1.625 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]nc(C(F)(F)F)c1C ZINC001032664193 706655878 /nfs/dbraw/zinc/65/58/78/706655878.db2.gz VBXOKWNCQQEOFW-QWRGUYRKSA-N 1 2 326.322 1.659 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]nc(C(F)(F)F)c1C ZINC001032664193 706655879 /nfs/dbraw/zinc/65/58/79/706655879.db2.gz VBXOKWNCQQEOFW-QWRGUYRKSA-N 1 2 326.322 1.659 20 30 EDEDLO Cn1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001032187369 702372789 /nfs/dbraw/zinc/37/27/89/702372789.db2.gz OTWAOPKUMDHHCH-UHFFFAOYSA-N 1 2 327.363 1.293 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)C[C@H]2C)nc1 ZINC000944192315 702484535 /nfs/dbraw/zinc/48/45/35/702484535.db2.gz KBRYDYFKMAQNAM-IUODEOHRSA-N 1 2 325.372 1.086 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)C[C@H]2C)nc1 ZINC000944192315 702484538 /nfs/dbraw/zinc/48/45/38/702484538.db2.gz KBRYDYFKMAQNAM-IUODEOHRSA-N 1 2 325.372 1.086 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)cn3)C[C@H]2C)cn1 ZINC000944215035 702545783 /nfs/dbraw/zinc/54/57/83/702545783.db2.gz PZNNPUGXODEBOA-QAPCUYQASA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)cn3)C[C@H]2C)cn1 ZINC000944215035 702545787 /nfs/dbraw/zinc/54/57/87/702545787.db2.gz PZNNPUGXODEBOA-QAPCUYQASA-N 1 2 349.438 1.802 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@@H](C)C1 ZINC000942498483 702988965 /nfs/dbraw/zinc/98/89/65/702988965.db2.gz ZMCYVHGVEVDSIX-JQWIXIFHSA-N 1 2 340.807 1.841 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@@H](C)C1 ZINC000942498483 702988966 /nfs/dbraw/zinc/98/89/66/702988966.db2.gz ZMCYVHGVEVDSIX-JQWIXIFHSA-N 1 2 340.807 1.841 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C)ncn2)C1 ZINC001032047161 703294095 /nfs/dbraw/zinc/29/40/95/703294095.db2.gz BWZGGMVRNBHBKS-IRXDYDNUSA-N 1 2 330.432 1.314 20 30 EDEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001060811648 703457984 /nfs/dbraw/zinc/45/79/84/703457984.db2.gz CCHBCAGGLXUNNU-VGWMRTNUSA-N 1 2 345.447 1.785 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccncn3)C2)cc1F ZINC001032060084 703499985 /nfs/dbraw/zinc/49/99/85/703499985.db2.gz HLLYZNCIVDPCJQ-UHFFFAOYSA-N 1 2 325.347 1.349 20 30 EDEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CC[NH+](Cc2nncn2C)CC1 ZINC000997551254 703818624 /nfs/dbraw/zinc/81/86/24/703818624.db2.gz AUXWKPJOWHSKAM-LBPRGKRZSA-N 1 2 341.419 1.045 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C(C)(C)C1 ZINC000995568221 704018030 /nfs/dbraw/zinc/01/80/30/704018030.db2.gz XHCNYYCLVNCODR-WCQYABFASA-N 1 2 343.387 1.816 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033086127 704150797 /nfs/dbraw/zinc/15/07/97/704150797.db2.gz FUMSRAKNTQWERQ-KURKYZTESA-N 1 2 346.475 1.742 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033086127 704150800 /nfs/dbraw/zinc/15/08/00/704150800.db2.gz FUMSRAKNTQWERQ-KURKYZTESA-N 1 2 346.475 1.742 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cnn3ccncc23)CC1 ZINC001004458676 704452423 /nfs/dbraw/zinc/45/24/23/704452423.db2.gz OSTNPCKIJLFRQF-INIZCTEOSA-N 1 2 338.415 1.569 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnn3ccncc23)CC1 ZINC001004458676 704452425 /nfs/dbraw/zinc/45/24/25/704452425.db2.gz OSTNPCKIJLFRQF-INIZCTEOSA-N 1 2 338.415 1.569 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1c1nccs1 ZINC001032539398 704590096 /nfs/dbraw/zinc/59/00/96/704590096.db2.gz CUPZNQMUIGIMDE-KKUMJFAQSA-N 1 2 330.457 1.420 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1c1nccs1 ZINC001032539398 704590097 /nfs/dbraw/zinc/59/00/97/704590097.db2.gz CUPZNQMUIGIMDE-KKUMJFAQSA-N 1 2 330.457 1.420 20 30 EDEDLO Cc1noc([C@@H](C)[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)n1 ZINC000995684325 705445913 /nfs/dbraw/zinc/44/59/13/705445913.db2.gz ABRSVWQRPOLKHU-YGRLFVJLSA-N 1 2 342.403 1.779 20 30 EDEDLO CCc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998933511 706343276 /nfs/dbraw/zinc/34/32/76/706343276.db2.gz URFNANVGIDBADM-DGCLKSJQSA-N 1 2 342.403 1.787 20 30 EDEDLO C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001061591717 707613272 /nfs/dbraw/zinc/61/32/72/707613272.db2.gz JYVMTFSJCBDTBX-CVEARBPZSA-N 1 2 348.447 1.534 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033216017 707715874 /nfs/dbraw/zinc/71/58/74/707715874.db2.gz GUODKNVYTVLASH-OAHLLOKOSA-N 1 2 327.363 1.142 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033216017 707715879 /nfs/dbraw/zinc/71/58/79/707715879.db2.gz GUODKNVYTVLASH-OAHLLOKOSA-N 1 2 327.363 1.142 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001033387099 707755519 /nfs/dbraw/zinc/75/55/19/707755519.db2.gz DZHHRTNCVXPNLI-JTQLQIEISA-N 1 2 343.225 1.181 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001033387099 707755524 /nfs/dbraw/zinc/75/55/24/707755524.db2.gz DZHHRTNCVXPNLI-JTQLQIEISA-N 1 2 343.225 1.181 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3nc(C)cs3)C2)nn1 ZINC001033483639 707950445 /nfs/dbraw/zinc/95/04/45/707950445.db2.gz KGEXVCZDXHOEGD-CYBMUJFWSA-N 1 2 346.460 1.576 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nc(C)cs3)C2)nn1 ZINC001033483639 707950447 /nfs/dbraw/zinc/95/04/47/707950447.db2.gz KGEXVCZDXHOEGD-CYBMUJFWSA-N 1 2 346.460 1.576 20 30 EDEDLO C[C@H](CC(=O)N1CC[C@@H](CNc2ccc(C#N)nn2)C1)n1cc[nH+]c1 ZINC001061001375 708138401 /nfs/dbraw/zinc/13/84/01/708138401.db2.gz LQACJLXVWPLGDN-KGLIPLIRSA-N 1 2 339.403 1.456 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001033543136 708203114 /nfs/dbraw/zinc/20/31/14/708203114.db2.gz IJIZGMSQXVYCHB-OCCSQVGLSA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001033543136 708203117 /nfs/dbraw/zinc/20/31/17/708203117.db2.gz IJIZGMSQXVYCHB-OCCSQVGLSA-N 1 2 331.254 1.854 20 30 EDEDLO CN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033563367 708238982 /nfs/dbraw/zinc/23/89/82/708238982.db2.gz VQZLEKPWXJSFKL-HNNXBMFYSA-N 1 2 342.378 1.091 20 30 EDEDLO CN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033563367 708238985 /nfs/dbraw/zinc/23/89/85/708238985.db2.gz VQZLEKPWXJSFKL-HNNXBMFYSA-N 1 2 342.378 1.091 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001033580390 708260876 /nfs/dbraw/zinc/26/08/76/708260876.db2.gz ZSFWBBVHKNYNIO-AWEZNQCLSA-N 1 2 349.866 1.976 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001033580390 708260878 /nfs/dbraw/zinc/26/08/78/708260878.db2.gz ZSFWBBVHKNYNIO-AWEZNQCLSA-N 1 2 349.866 1.976 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cncc(F)c3)C2)cn1 ZINC001033598239 708305632 /nfs/dbraw/zinc/30/56/32/708305632.db2.gz HPZHIXYCNYDPTE-GOSISDBHSA-N 1 2 338.386 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncc(F)c3)C2)cn1 ZINC001033598239 708305634 /nfs/dbraw/zinc/30/56/34/708305634.db2.gz HPZHIXYCNYDPTE-GOSISDBHSA-N 1 2 338.386 1.944 20 30 EDEDLO Cc1cc(C[NH+]2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)no1 ZINC001005227870 708308293 /nfs/dbraw/zinc/30/82/93/708308293.db2.gz UCWKZXGMEABUBR-UHFFFAOYSA-N 1 2 327.388 1.919 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2CC[NH+](Cc3nc(C)no3)CC2)c1 ZINC001001812644 708337366 /nfs/dbraw/zinc/33/73/66/708337366.db2.gz OJRGLNSNEJESLB-UHFFFAOYSA-N 1 2 339.399 1.396 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001033659620 708471692 /nfs/dbraw/zinc/47/16/92/708471692.db2.gz CDONYFDRGRLIIT-OAHLLOKOSA-N 1 2 346.822 1.561 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001033659620 708471694 /nfs/dbraw/zinc/47/16/94/708471694.db2.gz CDONYFDRGRLIIT-OAHLLOKOSA-N 1 2 346.822 1.561 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001033786475 708695533 /nfs/dbraw/zinc/69/55/33/708695533.db2.gz WBWSPMZBALEFES-ZDUSSCGKSA-N 1 2 343.387 1.620 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001033786475 708695534 /nfs/dbraw/zinc/69/55/34/708695534.db2.gz WBWSPMZBALEFES-ZDUSSCGKSA-N 1 2 343.387 1.620 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033806935 708730306 /nfs/dbraw/zinc/73/03/06/708730306.db2.gz QMSVQGZEYOOZMW-MRXNPFEDSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033806935 708730307 /nfs/dbraw/zinc/73/03/07/708730307.db2.gz QMSVQGZEYOOZMW-MRXNPFEDSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033807831 708731499 /nfs/dbraw/zinc/73/14/99/708731499.db2.gz YBJBRUAJFVPMNG-INIZCTEOSA-N 1 2 326.404 1.356 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033807831 708731503 /nfs/dbraw/zinc/73/15/03/708731503.db2.gz YBJBRUAJFVPMNG-INIZCTEOSA-N 1 2 326.404 1.356 20 30 EDEDLO CCN(C(=O)c1cnnn1C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033814690 708829272 /nfs/dbraw/zinc/82/92/72/708829272.db2.gz FSYXNYZBFPEKPR-INIZCTEOSA-N 1 2 338.415 1.423 20 30 EDEDLO CCN(C(=O)c1cnnn1C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033814690 708829275 /nfs/dbraw/zinc/82/92/75/708829275.db2.gz FSYXNYZBFPEKPR-INIZCTEOSA-N 1 2 338.415 1.423 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3n[nH]nc3n2)C1 ZINC001033846950 708894609 /nfs/dbraw/zinc/89/46/09/708894609.db2.gz GCXBRSHTTYPBLF-NSHDSACASA-N 1 2 334.811 1.642 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3n[nH]nc3n2)C1 ZINC001033846950 708894613 /nfs/dbraw/zinc/89/46/13/708894613.db2.gz GCXBRSHTTYPBLF-NSHDSACASA-N 1 2 334.811 1.642 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C(=O)OC)CC1 ZINC001002460743 708984922 /nfs/dbraw/zinc/98/49/22/708984922.db2.gz NEQAVSYBKJJUSM-VXGBXAGGSA-N 1 2 345.237 1.285 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001033970196 709162374 /nfs/dbraw/zinc/16/23/74/709162374.db2.gz ZWDJVXXMYOYHJB-GJZGRUSLSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC(=O)N(CCC)C2)C1 ZINC001033970196 709162376 /nfs/dbraw/zinc/16/23/76/709162376.db2.gz ZWDJVXXMYOYHJB-GJZGRUSLSA-N 1 2 341.883 1.920 20 30 EDEDLO Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)[nH]1 ZINC001002620905 709179673 /nfs/dbraw/zinc/17/96/73/709179673.db2.gz QZRDPTJLYGMFCO-SNVBAGLBSA-N 1 2 327.392 1.268 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001061112633 709200181 /nfs/dbraw/zinc/20/01/81/709200181.db2.gz HWEUKMKWPIJVRQ-HNNXBMFYSA-N 1 2 343.431 1.274 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001034021224 709239507 /nfs/dbraw/zinc/23/95/07/709239507.db2.gz MAPMOXKZYMQJJD-NEPJUHHUSA-N 1 2 344.253 1.096 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001034021224 709239509 /nfs/dbraw/zinc/23/95/09/709239509.db2.gz MAPMOXKZYMQJJD-NEPJUHHUSA-N 1 2 344.253 1.096 20 30 EDEDLO N#CCOc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2csnn2)cc1 ZINC001038556723 709695884 /nfs/dbraw/zinc/69/58/84/709695884.db2.gz HMPYQXFFSVSUMJ-ZDUSSCGKSA-N 1 2 343.412 1.445 20 30 EDEDLO N#CCOc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2csnn2)cc1 ZINC001038556723 709695888 /nfs/dbraw/zinc/69/58/88/709695888.db2.gz HMPYQXFFSVSUMJ-ZDUSSCGKSA-N 1 2 343.412 1.445 20 30 EDEDLO Cc1cc(N(C)[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c(C#N)cn1 ZINC001061227732 709827329 /nfs/dbraw/zinc/82/73/29/709827329.db2.gz MYBOOBFTZSHIML-OAHLLOKOSA-N 1 2 338.415 1.655 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001034344696 709834163 /nfs/dbraw/zinc/83/41/63/709834163.db2.gz KCVVFASKSJEGHI-LLVKDONJSA-N 1 2 342.241 1.606 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001034344696 709834171 /nfs/dbraw/zinc/83/41/71/709834171.db2.gz KCVVFASKSJEGHI-LLVKDONJSA-N 1 2 342.241 1.606 20 30 EDEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H](NC(=O)c2cnon2)C1 ZINC001034448797 710048634 /nfs/dbraw/zinc/04/86/34/710048634.db2.gz AFSGQXRMRKZHRW-HNNXBMFYSA-N 1 2 325.372 1.726 20 30 EDEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H](NC(=O)c2cnon2)C1 ZINC001034448797 710048638 /nfs/dbraw/zinc/04/86/38/710048638.db2.gz AFSGQXRMRKZHRW-HNNXBMFYSA-N 1 2 325.372 1.726 20 30 EDEDLO C#Cc1cncc(C(=O)N2CCC[C@@H](N(C)c3cc[nH+]c(C)n3)C2)c1 ZINC001061262714 710353494 /nfs/dbraw/zinc/35/34/94/710353494.db2.gz GUPWENIVBGJRPG-QGZVFWFLSA-N 1 2 335.411 1.902 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CC[NH+](Cc3cc(C)n(C)n3)CC2)c1 ZINC001003594556 710432094 /nfs/dbraw/zinc/43/20/94/710432094.db2.gz QQEAYVJIYNPZSZ-UHFFFAOYSA-N 1 2 337.427 1.499 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032915369 710749749 /nfs/dbraw/zinc/74/97/49/710749749.db2.gz BCGNLKDPSSEFMV-CYBMUJFWSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032915369 710749751 /nfs/dbraw/zinc/74/97/51/710749751.db2.gz BCGNLKDPSSEFMV-CYBMUJFWSA-N 1 2 345.403 1.895 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001061798292 710974076 /nfs/dbraw/zinc/97/40/76/710974076.db2.gz XPHKUCOMRQKAKM-ZBFHGGJFSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001061798292 710974081 /nfs/dbraw/zinc/97/40/81/710974081.db2.gz XPHKUCOMRQKAKM-ZBFHGGJFSA-N 1 2 348.447 1.288 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)nc1 ZINC001004003096 711241651 /nfs/dbraw/zinc/24/16/51/711241651.db2.gz HAIRHNKFVIMPGU-UHFFFAOYSA-N 1 2 349.438 1.600 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3ncccn3)CC2)nc1 ZINC001004003271 711242958 /nfs/dbraw/zinc/24/29/58/711242958.db2.gz IKUFAEGVJRAWQF-AWEZNQCLSA-N 1 2 335.411 1.808 20 30 EDEDLO CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)o1 ZINC001034912869 711342690 /nfs/dbraw/zinc/34/26/90/711342690.db2.gz XNMOPFLQHOMWDL-GFCCVEGCSA-N 1 2 328.376 1.226 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001033129459 711881073 /nfs/dbraw/zinc/88/10/73/711881073.db2.gz ZUFULIFZCPROKR-AWEZNQCLSA-N 1 2 346.822 1.561 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001033129459 711881074 /nfs/dbraw/zinc/88/10/74/711881074.db2.gz ZUFULIFZCPROKR-AWEZNQCLSA-N 1 2 346.822 1.561 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCNC(=O)CC2)CC1 ZINC001004498141 711886504 /nfs/dbraw/zinc/88/65/04/711886504.db2.gz NBIFRTDNZZMWFO-CVEARBPZSA-N 1 2 332.448 1.129 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCNC(=O)CC2)CC1 ZINC001004498141 711886505 /nfs/dbraw/zinc/88/65/05/711886505.db2.gz NBIFRTDNZZMWFO-CVEARBPZSA-N 1 2 332.448 1.129 20 30 EDEDLO COc1c(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(C)nn1C ZINC001004571041 711994377 /nfs/dbraw/zinc/99/43/77/711994377.db2.gz WHAMCIVVWVENQW-HNNXBMFYSA-N 1 2 345.447 1.577 20 30 EDEDLO COc1c(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c(C)nn1C ZINC001004571041 711994378 /nfs/dbraw/zinc/99/43/78/711994378.db2.gz WHAMCIVVWVENQW-HNNXBMFYSA-N 1 2 345.447 1.577 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc(Cl)cn2)CC1 ZINC001004580010 712011780 /nfs/dbraw/zinc/01/17/80/712011780.db2.gz NZEKEVSXSWTKPH-OAHLLOKOSA-N 1 2 335.839 1.763 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc(Cl)cn2)CC1 ZINC001004580010 712011783 /nfs/dbraw/zinc/01/17/83/712011783.db2.gz NZEKEVSXSWTKPH-OAHLLOKOSA-N 1 2 335.839 1.763 20 30 EDEDLO CN1CCCC[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1=O ZINC001004598762 712042813 /nfs/dbraw/zinc/04/28/13/712042813.db2.gz WTWNOCNDJDJGIO-IAGOWNOFSA-N 1 2 346.475 1.471 20 30 EDEDLO CN1CCCC[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1=O ZINC001004598762 712042815 /nfs/dbraw/zinc/04/28/15/712042815.db2.gz WTWNOCNDJDJGIO-IAGOWNOFSA-N 1 2 346.475 1.471 20 30 EDEDLO CC(=O)N1CC[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004599396 712043614 /nfs/dbraw/zinc/04/36/14/712043614.db2.gz HBKMHQUWUZXHPP-IAGOWNOFSA-N 1 2 332.448 1.081 20 30 EDEDLO CC(=O)N1CC[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004599396 712043615 /nfs/dbraw/zinc/04/36/15/712043615.db2.gz HBKMHQUWUZXHPP-IAGOWNOFSA-N 1 2 332.448 1.081 20 30 EDEDLO CC(=O)N1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004608043 712060671 /nfs/dbraw/zinc/06/06/71/712060671.db2.gz YCVITYTXLHULAX-IRXDYDNUSA-N 1 2 332.448 1.224 20 30 EDEDLO CC(=O)N1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004608043 712060674 /nfs/dbraw/zinc/06/06/74/712060674.db2.gz YCVITYTXLHULAX-IRXDYDNUSA-N 1 2 332.448 1.224 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cncc3ncn(C)c32)C1 ZINC001033167051 712286660 /nfs/dbraw/zinc/28/66/60/712286660.db2.gz ZEGVCFYPLOGABT-LBPRGKRZSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cncc3ncn(C)c32)C1 ZINC001033167051 712286661 /nfs/dbraw/zinc/28/66/61/712286661.db2.gz ZEGVCFYPLOGABT-LBPRGKRZSA-N 1 2 333.823 1.867 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000558530823 306239075 /nfs/dbraw/zinc/23/90/75/306239075.db2.gz OTAKPPYMNLCVAJ-CQSZACIVSA-N 1 2 341.390 1.759 20 30 EDEDLO CN(CCCn1cc[nH+]c1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000154778781 529897776 /nfs/dbraw/zinc/89/77/76/529897776.db2.gz IQKMBCMNXOQDCN-UHFFFAOYSA-N 1 2 325.372 1.033 20 30 EDEDLO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000328981329 539380938 /nfs/dbraw/zinc/38/09/38/539380938.db2.gz YFLKIHWZNFPFDV-RBSFLKMASA-N 1 2 336.436 1.658 20 30 EDEDLO CCc1nnc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)s1 ZINC000329747417 539462341 /nfs/dbraw/zinc/46/23/41/539462341.db2.gz ZJCGYRUOJUYFAK-VXGBXAGGSA-N 1 2 339.465 1.310 20 30 EDEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000103493969 219307072 /nfs/dbraw/zinc/30/70/72/219307072.db2.gz UTABCWUQOLCFEF-INIZCTEOSA-N 1 2 344.459 1.217 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(OC)ccc2Br)CC1 ZINC000038068531 213200006 /nfs/dbraw/zinc/20/00/06/213200006.db2.gz QWSZHVAYPCABFY-UHFFFAOYSA-N 1 2 337.217 1.849 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1C#N ZINC000076381230 138248110 /nfs/dbraw/zinc/24/81/10/138248110.db2.gz FBBSMIISCFSSFX-NSHDSACASA-N 1 2 334.445 1.842 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1C#N ZINC000076381230 138248111 /nfs/dbraw/zinc/24/81/11/138248111.db2.gz FBBSMIISCFSSFX-NSHDSACASA-N 1 2 334.445 1.842 20 30 EDEDLO COc1ccc([C@H](CNc2cnc(C#N)cn2)[NH+]2CCOCC2)cc1 ZINC000132974524 223378690 /nfs/dbraw/zinc/37/86/90/223378690.db2.gz KPNIYSAWKWLKGM-KRWDZBQOSA-N 1 2 339.399 1.842 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078621073 217088817 /nfs/dbraw/zinc/08/88/17/217088817.db2.gz FFDALLSRXGHGSK-LBPRGKRZSA-N 1 2 337.383 1.037 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078621073 217088818 /nfs/dbraw/zinc/08/88/18/217088818.db2.gz FFDALLSRXGHGSK-LBPRGKRZSA-N 1 2 337.383 1.037 20 30 EDEDLO CCOCCCNC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078655438 217095869 /nfs/dbraw/zinc/09/58/69/217095869.db2.gz RKGAMQKESSQJSP-HNNXBMFYSA-N 1 2 345.447 1.007 20 30 EDEDLO NC(=[NH+]OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000284623734 249606343 /nfs/dbraw/zinc/60/63/43/249606343.db2.gz ZSVOUMSPZAJRCH-NSHDSACASA-N 1 2 342.739 1.655 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c(C#N)c1C ZINC000248488168 139166072 /nfs/dbraw/zinc/16/60/72/139166072.db2.gz MGEMKJUAVTUSHZ-JLTPVHFHSA-N 1 2 327.475 1.874 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O)c(C#N)c1C ZINC000248488168 139166073 /nfs/dbraw/zinc/16/60/73/139166073.db2.gz MGEMKJUAVTUSHZ-JLTPVHFHSA-N 1 2 327.475 1.874 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000341978507 250004735 /nfs/dbraw/zinc/00/47/35/250004735.db2.gz AIVYDLXEGVJYEQ-UHFFFAOYSA-N 1 2 340.427 1.875 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000352064833 250070227 /nfs/dbraw/zinc/07/02/27/250070227.db2.gz DAKUGOZAPRHNHR-ROUUACIJSA-N 1 2 340.427 1.468 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000352064833 250070235 /nfs/dbraw/zinc/07/02/35/250070235.db2.gz DAKUGOZAPRHNHR-ROUUACIJSA-N 1 2 340.427 1.468 20 30 EDEDLO C=CCOc1ccccc1C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000353817678 250083508 /nfs/dbraw/zinc/08/35/08/250083508.db2.gz NVIANHPMUKBQEU-UHFFFAOYSA-N 1 2 340.427 1.667 20 30 EDEDLO N#CC1(F)CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000356608837 250127480 /nfs/dbraw/zinc/12/74/80/250127480.db2.gz WYJWXAPUUCZBDH-UHFFFAOYSA-N 1 2 341.346 1.665 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1)OCC ZINC000371054802 250211180 /nfs/dbraw/zinc/21/11/80/250211180.db2.gz MPZZXNALTPWSBX-ZWKOTPCHSA-N 1 2 337.508 1.844 20 30 EDEDLO C=CCCS(=O)(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000373680867 250243704 /nfs/dbraw/zinc/24/37/04/250243704.db2.gz LFVRZLXEIWEMMW-CQSZACIVSA-N 1 2 342.465 1.570 20 30 EDEDLO C=CCCS(=O)(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000373680867 250243709 /nfs/dbraw/zinc/24/37/09/250243709.db2.gz LFVRZLXEIWEMMW-CQSZACIVSA-N 1 2 342.465 1.570 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374506299 250268149 /nfs/dbraw/zinc/26/81/49/250268149.db2.gz PAEJYPQRHJRBPR-OAHLLOKOSA-N 1 2 340.431 1.083 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000374850420 250273303 /nfs/dbraw/zinc/27/33/03/250273303.db2.gz LVCVHDWJFUIZDW-CQSZACIVSA-N 1 2 331.416 1.898 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOc2cc(OC)ccc2C1 ZINC000374850420 250273306 /nfs/dbraw/zinc/27/33/06/250273306.db2.gz LVCVHDWJFUIZDW-CQSZACIVSA-N 1 2 331.416 1.898 20 30 EDEDLO C#CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000265059240 533063745 /nfs/dbraw/zinc/06/37/45/533063745.db2.gz LLDIIKYCNPDTQI-INIZCTEOSA-N 1 2 342.399 1.849 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000442826624 254567366 /nfs/dbraw/zinc/56/73/66/254567366.db2.gz MVEZHSKUXZFORV-KRWDZBQOSA-N 1 2 332.404 1.422 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1cccc(CO)c1 ZINC000492162324 255160259 /nfs/dbraw/zinc/16/02/59/255160259.db2.gz HIHRDYCRDXXATA-AATRIKPKSA-N 1 2 343.427 1.267 20 30 EDEDLO C[C@H](C[NH+]1CCN(c2ncccc2C#N)CC1)NC(=O)OC(C)(C)C ZINC000492258703 255165768 /nfs/dbraw/zinc/16/57/68/255165768.db2.gz NBHFJHCEPSCSRO-CQSZACIVSA-N 1 2 345.447 1.988 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000491631293 255134193 /nfs/dbraw/zinc/13/41/93/255134193.db2.gz NTPPMCXNIPCYLA-LJQANCHMSA-N 1 2 329.419 1.335 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000491631293 255134194 /nfs/dbraw/zinc/13/41/94/255134194.db2.gz NTPPMCXNIPCYLA-LJQANCHMSA-N 1 2 329.419 1.335 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494032657 255232677 /nfs/dbraw/zinc/23/26/77/255232677.db2.gz JPCMVGZUQMYWMC-ZIAGYGMSSA-N 1 2 334.420 1.244 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494032657 255232678 /nfs/dbraw/zinc/23/26/78/255232678.db2.gz JPCMVGZUQMYWMC-ZIAGYGMSSA-N 1 2 334.420 1.244 20 30 EDEDLO C=C[C@@H]1CCCCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000494395374 255249168 /nfs/dbraw/zinc/24/91/68/255249168.db2.gz HJERUSORTORLOR-NVXWUHKLSA-N 1 2 339.505 1.944 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495028119 255266026 /nfs/dbraw/zinc/26/60/26/255266026.db2.gz DLZIFIICWMKCIK-AWEZNQCLSA-N 1 2 329.356 1.347 20 30 EDEDLO CN(C[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1)C(=O)OC(C)(C)C ZINC000495189327 255271850 /nfs/dbraw/zinc/27/18/50/255271850.db2.gz LLMLJVFKPFVXAN-CQSZACIVSA-N 1 2 346.431 1.866 20 30 EDEDLO CN(C[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1)C(=O)OC(C)(C)C ZINC000495189327 255271851 /nfs/dbraw/zinc/27/18/51/255271851.db2.gz LLMLJVFKPFVXAN-CQSZACIVSA-N 1 2 346.431 1.866 20 30 EDEDLO CCOC(=O)N1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000496107091 255353261 /nfs/dbraw/zinc/35/32/61/255353261.db2.gz UAOUKEHTAAVBJL-UHFFFAOYSA-N 1 2 328.376 1.265 20 30 EDEDLO CCOC(=O)N1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000496107091 255353262 /nfs/dbraw/zinc/35/32/62/255353262.db2.gz UAOUKEHTAAVBJL-UHFFFAOYSA-N 1 2 328.376 1.265 20 30 EDEDLO Cn1c(Nc2ccc(NC3CCCC3)[nH+]c2)c(C#N)c(=O)n(C)c1=O ZINC000263915487 139369437 /nfs/dbraw/zinc/36/94/37/139369437.db2.gz TUMXKGHPNYYTGO-UHFFFAOYSA-N 1 2 340.387 1.449 20 30 EDEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[NH+](CC(N)=O)CC1 ZINC000266096717 139513566 /nfs/dbraw/zinc/51/35/66/139513566.db2.gz OVNZGWFBXNHTPG-UHFFFAOYSA-N 1 2 327.363 1.161 20 30 EDEDLO COCCO[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000331558140 141047900 /nfs/dbraw/zinc/04/79/00/141047900.db2.gz JZQLGZWVSCWMMU-LSDHHAIUSA-N 1 2 349.456 1.852 20 30 EDEDLO COCCO[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000331558140 141047902 /nfs/dbraw/zinc/04/79/02/141047902.db2.gz JZQLGZWVSCWMMU-LSDHHAIUSA-N 1 2 349.456 1.852 20 30 EDEDLO Cc1onc(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1C#N ZINC000331893912 141094789 /nfs/dbraw/zinc/09/47/89/141094789.db2.gz XSTFMQWXTQVQJT-UHFFFAOYSA-N 1 2 330.413 1.803 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CCN1C ZINC000332249046 141146961 /nfs/dbraw/zinc/14/69/61/141146961.db2.gz CBUXGVXFLDGQDE-AWEZNQCLSA-N 1 2 325.372 1.126 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)o1 ZINC000344726469 143003706 /nfs/dbraw/zinc/00/37/06/143003706.db2.gz IQSABZIEKQMDJC-UHFFFAOYSA-N 1 2 334.279 1.389 20 30 EDEDLO C[C@H](C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1)n1cnc(C#N)n1 ZINC000346397054 143200490 /nfs/dbraw/zinc/20/04/90/143200490.db2.gz VJYFXEPKZXBEIN-LLVKDONJSA-N 1 2 339.334 1.806 20 30 EDEDLO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000352954358 149228120 /nfs/dbraw/zinc/22/81/20/149228120.db2.gz HFLZZLMSTODBBJ-LBPRGKRZSA-N 1 2 334.445 1.937 20 30 EDEDLO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000352954358 149228122 /nfs/dbraw/zinc/22/81/22/149228122.db2.gz HFLZZLMSTODBBJ-LBPRGKRZSA-N 1 2 334.445 1.937 20 30 EDEDLO N#Cc1nc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[nH]c1C#N ZINC000357655033 151104347 /nfs/dbraw/zinc/10/43/47/151104347.db2.gz HUZUYYVEMSZLAP-UHFFFAOYSA-N 1 2 329.323 1.966 20 30 EDEDLO CN(C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C)c1ccnc(C#N)c1 ZINC000357679207 151113236 /nfs/dbraw/zinc/11/32/36/151113236.db2.gz HNNNADUQFQKIMX-CJNGLKHVSA-N 1 2 328.395 1.736 20 30 EDEDLO COc1cc(CNC(=O)NCCNc2cccc[nH+]2)ccc1C#N ZINC000358251376 151317960 /nfs/dbraw/zinc/31/79/60/151317960.db2.gz BGKPMHFCNKTBLQ-UHFFFAOYSA-N 1 2 325.372 1.873 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364282798 153195594 /nfs/dbraw/zinc/19/55/94/153195594.db2.gz OKPSTXPUYJZHCK-CQSZACIVSA-N 1 2 340.383 1.981 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@]4(CNC(=O)O4)C3)C2=O)cc1 ZINC000364780384 153330658 /nfs/dbraw/zinc/33/06/58/153330658.db2.gz QDZBMEMVZOWCLD-CRAIPNDOSA-N 1 2 340.383 1.238 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@]4(CNC(=O)O4)C3)C2=O)cc1 ZINC000364780384 153330659 /nfs/dbraw/zinc/33/06/59/153330659.db2.gz QDZBMEMVZOWCLD-CRAIPNDOSA-N 1 2 340.383 1.238 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC3(CCOC3=O)CC2)C1=O ZINC000370228653 155389169 /nfs/dbraw/zinc/38/91/69/155389169.db2.gz YBLJCJVDGCDUJD-CYBMUJFWSA-N 1 2 345.424 1.754 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000373806579 157012860 /nfs/dbraw/zinc/01/28/60/157012860.db2.gz SAZOTBGMLVCWFZ-PKOBYXMFSA-N 1 2 343.427 1.444 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000373806579 157012862 /nfs/dbraw/zinc/01/28/62/157012862.db2.gz SAZOTBGMLVCWFZ-PKOBYXMFSA-N 1 2 343.427 1.444 20 30 EDEDLO Cc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)cc1C#N ZINC000374123375 157151789 /nfs/dbraw/zinc/15/17/89/157151789.db2.gz ZSIHICYCOWSPBB-LJQANCHMSA-N 1 2 343.427 1.478 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374384183 157270366 /nfs/dbraw/zinc/27/03/66/157270366.db2.gz HOKGTAPZKKVXCJ-KSSFIOAISA-N 1 2 336.395 1.894 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000378264710 158123967 /nfs/dbraw/zinc/12/39/67/158123967.db2.gz DBPAUPHCPBQQJO-CYBMUJFWSA-N 1 2 337.383 1.555 20 30 EDEDLO N#Cc1ccc(NC(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)cc1 ZINC000363393020 162315610 /nfs/dbraw/zinc/31/56/10/162315610.db2.gz LMCLMZHETIDCSW-UHFFFAOYSA-N 1 2 341.415 1.506 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)C(=O)Nc1ccc(F)cc1C#N)C2 ZINC000364322779 162325351 /nfs/dbraw/zinc/32/53/51/162325351.db2.gz UXCPTHYFOPTYPK-UHFFFAOYSA-N 1 2 341.346 1.492 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159303288 225189414 /nfs/dbraw/zinc/18/94/14/225189414.db2.gz LNBSQVBUZNLMNJ-INIZCTEOSA-N 1 2 342.424 1.652 20 30 EDEDLO N#Cc1c(Br)cccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000439576347 270013320 /nfs/dbraw/zinc/01/33/20/270013320.db2.gz VRQFZFSIUYOSIV-NSHDSACASA-N 1 2 340.221 1.426 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C(N)=O)c3ccccc3)CC2)s1 ZINC000289979924 270010274 /nfs/dbraw/zinc/01/02/74/270010274.db2.gz ZTDAVYHIUANNFE-KRWDZBQOSA-N 1 2 340.452 1.964 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000491733970 270014688 /nfs/dbraw/zinc/01/46/88/270014688.db2.gz NJEXQBCCYXEMCH-ZDUSSCGKSA-N 1 2 330.432 1.905 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000491733970 270014689 /nfs/dbraw/zinc/01/46/89/270014689.db2.gz NJEXQBCCYXEMCH-ZDUSSCGKSA-N 1 2 330.432 1.905 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000285155821 267080398 /nfs/dbraw/zinc/08/03/98/267080398.db2.gz AGBUVIFRVONCJM-RHSMWYFYSA-N 1 2 349.456 1.183 20 30 EDEDLO CC[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(C#N)cc1 ZINC000447525769 267194890 /nfs/dbraw/zinc/19/48/90/267194890.db2.gz BNPSCAUTZLBOAN-HXUWFJFHSA-N 1 2 344.503 1.989 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2C)CCO1 ZINC000427854907 267202701 /nfs/dbraw/zinc/20/27/01/267202701.db2.gz ZZNSJVBENGHXRX-OAHLLOKOSA-N 1 2 344.415 1.032 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C#N)c2C)CCO1 ZINC000427854907 267202705 /nfs/dbraw/zinc/20/27/05/267202705.db2.gz ZZNSJVBENGHXRX-OAHLLOKOSA-N 1 2 344.415 1.032 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)n1 ZINC000281061958 267315309 /nfs/dbraw/zinc/31/53/09/267315309.db2.gz YXCHOVOWYZNRKZ-OAHLLOKOSA-N 1 2 342.447 1.180 20 30 EDEDLO Cc1cc(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)ccc1C#N ZINC000295199394 267359683 /nfs/dbraw/zinc/35/96/83/267359683.db2.gz MWFQZXPYLCDWID-UHFFFAOYSA-N 1 2 333.417 1.426 20 30 EDEDLO N#Cc1ccc(CNC(=O)CN2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000298473221 268067769 /nfs/dbraw/zinc/06/77/69/268067769.db2.gz QKNOHPDFERCVJF-UHFFFAOYSA-N 1 2 349.438 1.387 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000286814133 268197547 /nfs/dbraw/zinc/19/75/47/268197547.db2.gz ZZBDSIPLXAWIGJ-UHFFFAOYSA-N 1 2 346.412 1.489 20 30 EDEDLO N#Cc1ccc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)nc1 ZINC000517406723 268206449 /nfs/dbraw/zinc/20/64/49/268206449.db2.gz GXIYDKFZCQPLLD-UHFFFAOYSA-N 1 2 348.366 1.918 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000439447865 268221145 /nfs/dbraw/zinc/22/11/45/268221145.db2.gz YOBWFJXPDSOCAK-UHFFFAOYSA-N 1 2 346.862 1.952 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000275002372 268261239 /nfs/dbraw/zinc/26/12/39/268261239.db2.gz PSERWPCXKODZCW-UNEWFSDZSA-N 1 2 332.400 1.571 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000275002372 268261243 /nfs/dbraw/zinc/26/12/43/268261243.db2.gz PSERWPCXKODZCW-UNEWFSDZSA-N 1 2 332.400 1.571 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000277942651 268597941 /nfs/dbraw/zinc/59/79/41/268597941.db2.gz ZNWWOSARIYAXSG-UHFFFAOYSA-N 1 2 332.835 1.956 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450305317 276279106 /nfs/dbraw/zinc/27/91/06/276279106.db2.gz WGROMGGQTYSXGN-UHFFFAOYSA-N 1 2 332.360 1.542 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450305317 276279108 /nfs/dbraw/zinc/27/91/08/276279108.db2.gz WGROMGGQTYSXGN-UHFFFAOYSA-N 1 2 332.360 1.542 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000373501634 278064563 /nfs/dbraw/zinc/06/45/63/278064563.db2.gz JJUBCWSAGVKCOS-FNHZYXHNSA-N 1 2 341.411 1.543 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000373501634 278064564 /nfs/dbraw/zinc/06/45/64/278064564.db2.gz JJUBCWSAGVKCOS-FNHZYXHNSA-N 1 2 341.411 1.543 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000373501642 278064621 /nfs/dbraw/zinc/06/46/21/278064621.db2.gz JJUBCWSAGVKCOS-YJLNNSPDSA-N 1 2 341.411 1.543 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000373501642 278064622 /nfs/dbraw/zinc/06/46/22/278064622.db2.gz JJUBCWSAGVKCOS-YJLNNSPDSA-N 1 2 341.411 1.543 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(CC3(C#N)CC3)CC2)C1 ZINC000496899333 278404895 /nfs/dbraw/zinc/40/48/95/278404895.db2.gz CMVUAIBFDPXPIJ-OAHLLOKOSA-N 1 2 334.464 1.917 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171146969 279319068 /nfs/dbraw/zinc/31/90/68/279319068.db2.gz OHCVRMYEJLILSH-CYBMUJFWSA-N 1 2 333.436 1.957 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOC4(CCCC4)C3)C[C@H]21 ZINC000329081934 290079459 /nfs/dbraw/zinc/07/94/59/290079459.db2.gz RYJDLMPNIWTXGW-BZUAXINKSA-N 1 2 337.464 1.797 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOC4(CCCC4)C3)C[C@H]21 ZINC000329081934 290079460 /nfs/dbraw/zinc/07/94/60/290079460.db2.gz RYJDLMPNIWTXGW-BZUAXINKSA-N 1 2 337.464 1.797 20 30 EDEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](C)O2 ZINC000374029019 297317412 /nfs/dbraw/zinc/31/74/12/297317412.db2.gz VGFLSTQPVSDVCP-GJYPPUQNSA-N 1 2 349.475 1.987 20 30 EDEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](C)O2 ZINC000374029019 297317413 /nfs/dbraw/zinc/31/74/13/297317413.db2.gz VGFLSTQPVSDVCP-GJYPPUQNSA-N 1 2 349.475 1.987 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000066563215 301224911 /nfs/dbraw/zinc/22/49/11/301224911.db2.gz HNEQFTRJXYXWCP-KRWDZBQOSA-N 1 2 342.443 1.890 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000066563215 301224913 /nfs/dbraw/zinc/22/49/13/301224913.db2.gz HNEQFTRJXYXWCP-KRWDZBQOSA-N 1 2 342.443 1.890 20 30 EDEDLO COc1cc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1OCC#N ZINC000493396908 447318392 /nfs/dbraw/zinc/31/83/92/447318392.db2.gz GLXTZMNZJPTMMA-POZKEBTKSA-N 1 2 342.399 1.571 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000425871351 447342848 /nfs/dbraw/zinc/34/28/48/447342848.db2.gz XODIWQXJGCJCPF-AWEZNQCLSA-N 1 2 339.399 1.481 20 30 EDEDLO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@]3(C#N)C[C@@H]3C)CC2)cn1 ZINC000448922919 447356324 /nfs/dbraw/zinc/35/63/24/447356324.db2.gz STVYFCPTAIIYKU-MAUKXSAKSA-N 1 2 329.448 1.877 20 30 EDEDLO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@]3(C#N)C[C@@H]3C)CC2)cn1 ZINC000448922919 447356329 /nfs/dbraw/zinc/35/63/29/447356329.db2.gz STVYFCPTAIIYKU-MAUKXSAKSA-N 1 2 329.448 1.877 20 30 EDEDLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C ZINC000548965320 306142843 /nfs/dbraw/zinc/14/28/43/306142843.db2.gz GDUJOYYSFWTZHJ-UHFFFAOYSA-N 1 2 326.404 1.122 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000377945898 447391070 /nfs/dbraw/zinc/39/10/70/447391070.db2.gz RPYKCOLGLYEEHQ-GOSISDBHSA-N 1 2 339.439 1.023 20 30 EDEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000044714720 440877943 /nfs/dbraw/zinc/87/79/43/440877943.db2.gz SSBMKYGWZYONEF-HNNXBMFYSA-N 1 2 327.432 1.334 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000044743605 440884071 /nfs/dbraw/zinc/88/40/71/440884071.db2.gz NSUWCAIZIIDAJU-AWEZNQCLSA-N 1 2 332.423 1.730 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccncc3)n(CC)c2=S)CC1 ZINC000044756671 440885083 /nfs/dbraw/zinc/88/50/83/440885083.db2.gz AYFDPWKLLIXHEO-UHFFFAOYSA-N 1 2 342.472 1.704 20 30 EDEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000046886284 441134198 /nfs/dbraw/zinc/13/41/98/441134198.db2.gz MWSVZXNAKXOECX-UHFFFAOYSA-N 1 2 330.432 1.810 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081098210 441233720 /nfs/dbraw/zinc/23/37/20/441233720.db2.gz AKUWTTQAMVKNHO-CABCVRRESA-N 1 2 330.494 1.699 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081098210 441233722 /nfs/dbraw/zinc/23/37/22/441233722.db2.gz AKUWTTQAMVKNHO-CABCVRRESA-N 1 2 330.494 1.699 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1)c1ccccc1 ZINC000081050447 441226321 /nfs/dbraw/zinc/22/63/21/441226321.db2.gz YJHXABXBBRAFFR-OAHLLOKOSA-N 1 2 341.333 1.932 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1)c1ccccc1 ZINC000081050447 441226322 /nfs/dbraw/zinc/22/63/22/441226322.db2.gz YJHXABXBBRAFFR-OAHLLOKOSA-N 1 2 341.333 1.932 20 30 EDEDLO CN(C)C(=O)c1cccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000060467101 441244871 /nfs/dbraw/zinc/24/48/71/441244871.db2.gz SJLMXNFHSJCFDB-UHFFFAOYSA-N 1 2 349.438 1.977 20 30 EDEDLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC(C#N)CC1 ZINC000061040397 441264196 /nfs/dbraw/zinc/26/41/96/441264196.db2.gz QRBSBFBITCJZIT-QGZVFWFLSA-N 1 2 341.411 1.348 20 30 EDEDLO Cc1nsc(N2CC[NH+](CCOc3cccc(C#N)c3)CC2)n1 ZINC000081577028 441291999 /nfs/dbraw/zinc/29/19/99/441291999.db2.gz BINRMNSJXKYVFT-UHFFFAOYSA-N 1 2 329.429 1.919 20 30 EDEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000106528908 441351678 /nfs/dbraw/zinc/35/16/78/441351678.db2.gz QERAHFHXTZAZMU-SFHVURJKSA-N 1 2 341.459 1.480 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000074290721 441417764 /nfs/dbraw/zinc/41/77/64/441417764.db2.gz AQUFLBCIYGFKPZ-QGZVFWFLSA-N 1 2 330.436 1.043 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000074290721 441417766 /nfs/dbraw/zinc/41/77/66/441417766.db2.gz AQUFLBCIYGFKPZ-QGZVFWFLSA-N 1 2 330.436 1.043 20 30 EDEDLO CC(C)CN(C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)C(C)C ZINC000052508706 441455505 /nfs/dbraw/zinc/45/55/05/441455505.db2.gz VCKXGMAQCMBFCX-UHFFFAOYSA-N 1 2 343.475 1.968 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000088769589 441520672 /nfs/dbraw/zinc/52/06/72/441520672.db2.gz IPSCACIZZWLRMG-JTQLQIEISA-N 1 2 331.763 1.552 20 30 EDEDLO N#CCCC[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000066884481 441579645 /nfs/dbraw/zinc/57/96/45/441579645.db2.gz QTGNMAJKZLFOIS-UHFFFAOYSA-N 1 2 326.444 1.887 20 30 EDEDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C)C2 ZINC000090167958 441624404 /nfs/dbraw/zinc/62/44/04/441624404.db2.gz JQXAGOZYRPOYNK-CQSZACIVSA-N 1 2 330.413 1.665 20 30 EDEDLO COc1ccccc1C[NH+]1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000076343200 441633911 /nfs/dbraw/zinc/63/39/11/441633911.db2.gz JNKSXLZRZXJWFH-INIZCTEOSA-N 1 2 344.459 1.573 20 30 EDEDLO COc1ccccc1CN1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000076343200 441633913 /nfs/dbraw/zinc/63/39/13/441633913.db2.gz JNKSXLZRZXJWFH-INIZCTEOSA-N 1 2 344.459 1.573 20 30 EDEDLO C=CCN(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000121444496 441706601 /nfs/dbraw/zinc/70/66/01/441706601.db2.gz TZMDLOFRRXWAQW-UHFFFAOYSA-N 1 2 330.432 1.017 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cn1 ZINC000115012590 441707886 /nfs/dbraw/zinc/70/78/86/441707886.db2.gz WZPOMSFYLDCZCV-SFHVURJKSA-N 1 2 336.395 1.757 20 30 EDEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)COC3CCOCC3)C2)cc1 ZINC000158572473 441747244 /nfs/dbraw/zinc/74/72/44/441747244.db2.gz RVFWMJJIMUAJNK-OAHLLOKOSA-N 1 2 332.400 1.178 20 30 EDEDLO CCNC(=O)c1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597095 441764179 /nfs/dbraw/zinc/76/41/79/441764179.db2.gz VVFLEDWKPQBXPP-KRWDZBQOSA-N 1 2 336.395 1.624 20 30 EDEDLO C#CC[N@H+](Cc1cccc(-n2cccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092193014 441777731 /nfs/dbraw/zinc/77/77/31/441777731.db2.gz ZONWGCOQZMAYHF-KRWDZBQOSA-N 1 2 329.425 1.495 20 30 EDEDLO C#CC[N@@H+](Cc1cccc(-n2cccn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092193014 441777734 /nfs/dbraw/zinc/77/77/34/441777734.db2.gz ZONWGCOQZMAYHF-KRWDZBQOSA-N 1 2 329.425 1.495 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159040896 441782036 /nfs/dbraw/zinc/78/20/36/441782036.db2.gz CTMXRVIGMYVYHQ-IFXJQAMLSA-N 1 2 343.427 1.561 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159040896 441782041 /nfs/dbraw/zinc/78/20/41/441782041.db2.gz CTMXRVIGMYVYHQ-IFXJQAMLSA-N 1 2 343.427 1.561 20 30 EDEDLO COc1ccccc1N1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000069302867 441915883 /nfs/dbraw/zinc/91/58/83/441915883.db2.gz JWLCCCYZJRRSCM-IBGZPJMESA-N 1 2 344.459 1.872 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CCCO2)CC1=O ZINC000119251849 441925680 /nfs/dbraw/zinc/92/56/80/441925680.db2.gz VZQFNSPDCZOIEL-GFCCVEGCSA-N 1 2 326.400 1.825 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161279614 441980988 /nfs/dbraw/zinc/98/09/88/441980988.db2.gz AYOMDGQMPJXQFI-MWLCHTKSSA-N 1 2 337.342 1.022 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000150973787 441983938 /nfs/dbraw/zinc/98/39/38/441983938.db2.gz QPXUPVDDEIAJOV-RISCZKNCSA-N 1 2 346.456 1.525 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1C#N ZINC000150973787 441983943 /nfs/dbraw/zinc/98/39/43/441983943.db2.gz QPXUPVDDEIAJOV-RISCZKNCSA-N 1 2 346.456 1.525 20 30 EDEDLO COCCc1noc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000151004749 441989319 /nfs/dbraw/zinc/98/93/19/441989319.db2.gz MNFGBGNMSTZCOH-UHFFFAOYSA-N 1 2 343.387 1.591 20 30 EDEDLO COCCc1noc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000151004749 441989323 /nfs/dbraw/zinc/98/93/23/441989323.db2.gz MNFGBGNMSTZCOH-UHFFFAOYSA-N 1 2 343.387 1.591 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000175125477 442007125 /nfs/dbraw/zinc/00/71/25/442007125.db2.gz FHUKVSVPDTVBMY-UHFFFAOYSA-N 1 2 339.399 1.974 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151380214 442051812 /nfs/dbraw/zinc/05/18/12/442051812.db2.gz HZDLOLFXYUAFBP-QGZVFWFLSA-N 1 2 338.411 1.992 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000127365962 442196594 /nfs/dbraw/zinc/19/65/94/442196594.db2.gz HJZFRDUYXFEBRJ-UHFFFAOYSA-N 1 2 335.839 1.619 20 30 EDEDLO Cc1cccc(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000096971294 442152660 /nfs/dbraw/zinc/15/26/60/442152660.db2.gz IIHBHEIXIXZEQM-UHFFFAOYSA-N 1 2 330.432 1.481 20 30 EDEDLO COCC[N@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC000128300153 442258304 /nfs/dbraw/zinc/25/83/04/442258304.db2.gz GWPQKRVWPIAYQP-HZPDHXFCSA-N 1 2 345.443 1.642 20 30 EDEDLO COCC[N@@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC000128300153 442258306 /nfs/dbraw/zinc/25/83/06/442258306.db2.gz GWPQKRVWPIAYQP-HZPDHXFCSA-N 1 2 345.443 1.642 20 30 EDEDLO C[C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)[NH+]1CCOCC1 ZINC000171145086 442319559 /nfs/dbraw/zinc/31/95/59/442319559.db2.gz SSIKWSZRKJHDIW-CYBMUJFWSA-N 1 2 333.436 1.957 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177159402 442307569 /nfs/dbraw/zinc/30/75/69/442307569.db2.gz SWCXREPOCLDFLT-LBPRGKRZSA-N 1 2 334.445 1.633 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000177159402 442307572 /nfs/dbraw/zinc/30/75/72/442307572.db2.gz SWCXREPOCLDFLT-LBPRGKRZSA-N 1 2 334.445 1.633 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2nc3ccccc3o2)CC1 ZINC000153971902 442314003 /nfs/dbraw/zinc/31/40/03/442314003.db2.gz GPQJHBUOVVJMAI-UHFFFAOYSA-N 1 2 326.400 1.037 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000155358105 442391025 /nfs/dbraw/zinc/39/10/25/442391025.db2.gz PZGSICHPQSYRGZ-CABCVRRESA-N 1 2 343.427 1.122 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000155358105 442391028 /nfs/dbraw/zinc/39/10/28/442391028.db2.gz PZGSICHPQSYRGZ-CABCVRRESA-N 1 2 343.427 1.122 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000155441274 442398801 /nfs/dbraw/zinc/39/88/01/442398801.db2.gz IRARZQGQADMVNE-INIZCTEOSA-N 1 2 349.390 1.947 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178647593 442451763 /nfs/dbraw/zinc/45/17/63/442451763.db2.gz CXWIYJOIHHNYIY-FUHWJXTLSA-N 1 2 342.443 1.078 20 30 EDEDLO O=C1NC[C@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CCN12 ZINC000156566340 442495761 /nfs/dbraw/zinc/49/57/61/442495761.db2.gz GPJMCBAQHAFHBX-ZDUSSCGKSA-N 1 2 339.317 1.646 20 30 EDEDLO O=C1NC[C@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CCN12 ZINC000156566340 442495765 /nfs/dbraw/zinc/49/57/65/442495765.db2.gz GPJMCBAQHAFHBX-ZDUSSCGKSA-N 1 2 339.317 1.646 20 30 EDEDLO C[C@H](C(=O)NC1CC1)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186297287 442506501 /nfs/dbraw/zinc/50/65/01/442506501.db2.gz UEPDXUVSOUOYDV-HUUCEWRRSA-N 1 2 326.444 1.904 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186297287 442506504 /nfs/dbraw/zinc/50/65/04/442506504.db2.gz UEPDXUVSOUOYDV-HUUCEWRRSA-N 1 2 326.444 1.904 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCCN(c3cccc[nH+]3)CC2)cn1 ZINC000186116855 442466433 /nfs/dbraw/zinc/46/64/33/442466433.db2.gz WFROXSXIPPIICM-UHFFFAOYSA-N 1 2 343.412 1.249 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178771751 442480270 /nfs/dbraw/zinc/48/02/70/442480270.db2.gz LOGDMKMBPOZCJC-CQSZACIVSA-N 1 2 348.422 1.344 20 30 EDEDLO COCCOCCO[NH+]=C(N)c1ccc(-n2nc(C)cc2C)nc1 ZINC000179639650 442484016 /nfs/dbraw/zinc/48/40/16/442484016.db2.gz IUKXGCPFYRAJTO-UHFFFAOYSA-N 1 2 333.392 1.184 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1F ZINC000192078528 442586716 /nfs/dbraw/zinc/58/67/16/442586716.db2.gz HIADXBTWQZXJHJ-OAHLLOKOSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1F ZINC000192078528 442586721 /nfs/dbraw/zinc/58/67/21/442586721.db2.gz HIADXBTWQZXJHJ-OAHLLOKOSA-N 1 2 337.420 1.697 20 30 EDEDLO C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000186667532 442587740 /nfs/dbraw/zinc/58/77/40/442587740.db2.gz YLPOIUBKIYBOSJ-CABCVRRESA-N 1 2 327.428 1.815 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000192250207 442623090 /nfs/dbraw/zinc/62/30/90/442623090.db2.gz HBYXHCRFILXYFQ-OAHLLOKOSA-N 1 2 347.382 1.448 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182209406 442745703 /nfs/dbraw/zinc/74/57/03/442745703.db2.gz YTGIKFGHPMYCBC-SFHVURJKSA-N 1 2 343.427 1.963 20 30 EDEDLO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cn1 ZINC000188453224 442751869 /nfs/dbraw/zinc/75/18/69/442751869.db2.gz KVFFIHDXSWKVHX-UHFFFAOYSA-N 1 2 339.399 1.345 20 30 EDEDLO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cn1 ZINC000188453224 442751871 /nfs/dbraw/zinc/75/18/71/442751871.db2.gz KVFFIHDXSWKVHX-UHFFFAOYSA-N 1 2 339.399 1.345 20 30 EDEDLO CCOC(=O)C[C@H](C)[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000182632393 442798126 /nfs/dbraw/zinc/79/81/26/442798126.db2.gz UNHQZFRXDLADAI-ZDUSSCGKSA-N 1 2 338.429 1.605 20 30 EDEDLO CCOC(=O)C[C@H](C)[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000182632393 442798129 /nfs/dbraw/zinc/79/81/29/442798129.db2.gz UNHQZFRXDLADAI-ZDUSSCGKSA-N 1 2 338.429 1.605 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193664389 442765358 /nfs/dbraw/zinc/76/53/58/442765358.db2.gz MABHUWKSEHRDSB-MJGOQNOKSA-N 1 2 333.428 1.646 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@]12CCOC2 ZINC000193664389 442765361 /nfs/dbraw/zinc/76/53/61/442765361.db2.gz MABHUWKSEHRDSB-MJGOQNOKSA-N 1 2 333.428 1.646 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000265675591 442874696 /nfs/dbraw/zinc/87/46/96/442874696.db2.gz ZFOQVIACHVHPBA-HNNXBMFYSA-N 1 2 328.416 1.282 20 30 EDEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCOCC(F)F)cn2)n1 ZINC000189263308 442907981 /nfs/dbraw/zinc/90/79/81/442907981.db2.gz HPHFGJZRBQXUEK-UHFFFAOYSA-N 1 2 339.346 1.803 20 30 EDEDLO Cn1c(Cl)cnc1C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000183269371 442914668 /nfs/dbraw/zinc/91/46/68/442914668.db2.gz OERMSULUXYZSLW-CYBMUJFWSA-N 1 2 334.807 1.817 20 30 EDEDLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000183269371 442914671 /nfs/dbraw/zinc/91/46/71/442914671.db2.gz OERMSULUXYZSLW-CYBMUJFWSA-N 1 2 334.807 1.817 20 30 EDEDLO COCCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000249420023 442973864 /nfs/dbraw/zinc/97/38/64/442973864.db2.gz WYGIBSDJMKSMJM-GXTWGEPZSA-N 1 2 335.404 1.832 20 30 EDEDLO COCCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000249420023 442973868 /nfs/dbraw/zinc/97/38/68/442973868.db2.gz WYGIBSDJMKSMJM-GXTWGEPZSA-N 1 2 335.404 1.832 20 30 EDEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000190054932 443052271 /nfs/dbraw/zinc/05/22/71/443052271.db2.gz JBDYFWLTLYALLN-LBPRGKRZSA-N 1 2 333.363 1.407 20 30 EDEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000266216252 443061353 /nfs/dbraw/zinc/06/13/53/443061353.db2.gz PVVGKHHYSYGFBX-OLZOCXBDSA-N 1 2 337.424 1.265 20 30 EDEDLO Cn1cccc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000266442755 443128200 /nfs/dbraw/zinc/12/82/00/443128200.db2.gz AOWUKEARLNDPAQ-UHFFFAOYSA-N 1 2 337.427 1.924 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190758897 443177986 /nfs/dbraw/zinc/17/79/86/443177986.db2.gz URVSPSVPCZCGAG-OAHLLOKOSA-N 1 2 337.383 1.693 20 30 EDEDLO COc1ccnc(CN(CCC#N)CC[NH+]2CCOCC2)c1OC ZINC000190628467 443151730 /nfs/dbraw/zinc/15/17/30/443151730.db2.gz VRFVXIOMGKQEMJ-UHFFFAOYSA-N 1 2 334.420 1.147 20 30 EDEDLO CCc1nnc(C2CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC2)[nH]1 ZINC000190665586 443160468 /nfs/dbraw/zinc/16/04/68/443160468.db2.gz NTKQVDHSSXMQNO-CYBMUJFWSA-N 1 2 332.452 1.555 20 30 EDEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC2)n1 ZINC000190665586 443160473 /nfs/dbraw/zinc/16/04/73/443160473.db2.gz NTKQVDHSSXMQNO-CYBMUJFWSA-N 1 2 332.452 1.555 20 30 EDEDLO CCc1nc(C2CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC2)n[nH]1 ZINC000190665586 443160478 /nfs/dbraw/zinc/16/04/78/443160478.db2.gz NTKQVDHSSXMQNO-CYBMUJFWSA-N 1 2 332.452 1.555 20 30 EDEDLO C[N@H+](CCN1CCOCC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000264269671 443256951 /nfs/dbraw/zinc/25/69/51/443256951.db2.gz LMRWXXNAFORWLG-UHFFFAOYSA-N 1 2 330.432 1.197 20 30 EDEDLO C[N@@H+](CCN1CCOCC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000264269671 443256955 /nfs/dbraw/zinc/25/69/55/443256955.db2.gz LMRWXXNAFORWLG-UHFFFAOYSA-N 1 2 330.432 1.197 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000264353579 443260810 /nfs/dbraw/zinc/26/08/10/443260810.db2.gz GCKRVEXAOODFSY-QWHCGFSZSA-N 1 2 338.452 1.013 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000264353579 443260814 /nfs/dbraw/zinc/26/08/14/443260814.db2.gz GCKRVEXAOODFSY-QWHCGFSZSA-N 1 2 338.452 1.013 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000185865528 443271238 /nfs/dbraw/zinc/27/12/38/443271238.db2.gz HTCDLTADBOAASQ-UHFFFAOYSA-N 1 2 344.463 1.484 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CC(NC(=O)C2CCC2)C1 ZINC000185936854 443287181 /nfs/dbraw/zinc/28/71/81/443287181.db2.gz VXKMPJGCWJBPMO-GOSISDBHSA-N 1 2 344.455 1.755 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000266848461 443266350 /nfs/dbraw/zinc/26/63/50/443266350.db2.gz BNIJGGXYWPPLJY-OAHLLOKOSA-N 1 2 347.440 1.155 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000266848461 443266352 /nfs/dbraw/zinc/26/63/52/443266352.db2.gz BNIJGGXYWPPLJY-OAHLLOKOSA-N 1 2 347.440 1.155 20 30 EDEDLO NC(=[NH+]OCc1nnnn1CC(F)(F)F)c1ccc2c(c1)CCO2 ZINC000191510618 443305048 /nfs/dbraw/zinc/30/50/48/443305048.db2.gz ADNZPFCDPXSQTK-UHFFFAOYSA-N 1 2 342.281 1.007 20 30 EDEDLO C[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000264708907 443384521 /nfs/dbraw/zinc/38/45/21/443384521.db2.gz FWPXAYSTFCCSMS-MRXNPFEDSA-N 1 2 345.443 1.944 20 30 EDEDLO CCc1ccccc1NC(=O)CNC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272523898 443350349 /nfs/dbraw/zinc/35/03/49/443350349.db2.gz HTDNOVKUAUSTCG-UHFFFAOYSA-N 1 2 342.443 1.929 20 30 EDEDLO N#CCCn1cc(C[N@@H+]2CCO[C@H](CO)C2)c(-c2ccccc2)n1 ZINC000271152959 443492978 /nfs/dbraw/zinc/49/29/78/443492978.db2.gz BWGFZWWSPQWTEW-KRWDZBQOSA-N 1 2 326.400 1.657 20 30 EDEDLO N#CCCn1cc(C[N@H+]2CCO[C@H](CO)C2)c(-c2ccccc2)n1 ZINC000271152959 443492981 /nfs/dbraw/zinc/49/29/81/443492981.db2.gz BWGFZWWSPQWTEW-KRWDZBQOSA-N 1 2 326.400 1.657 20 30 EDEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCc3nnc(C)s3)cn2)n1 ZINC000271538780 443506403 /nfs/dbraw/zinc/50/64/03/443506403.db2.gz QPRVKLICLFPPFJ-UHFFFAOYSA-N 1 2 343.416 1.881 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000265185845 443562679 /nfs/dbraw/zinc/56/26/79/443562679.db2.gz QYBUQRYBJULQGY-HOTGVXAUSA-N 1 2 345.443 1.607 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)[NH2+]C)cc2[nH]c1=S ZINC000283279511 443587146 /nfs/dbraw/zinc/58/71/46/443587146.db2.gz GLANIHJTIHKKKW-SNVBAGLBSA-N 1 2 332.429 1.209 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000279256511 443542469 /nfs/dbraw/zinc/54/24/69/443542469.db2.gz ALEQDZJNDGRIFY-JKSUJKDBSA-N 1 2 333.480 1.522 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000279256511 443542472 /nfs/dbraw/zinc/54/24/72/443542472.db2.gz ALEQDZJNDGRIFY-JKSUJKDBSA-N 1 2 333.480 1.522 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)CCN2C(=O)NC3(CCCC3)C2=O)n1 ZINC000279835130 443631353 /nfs/dbraw/zinc/63/13/53/443631353.db2.gz ZVHXGBDEHIASIF-UHFFFAOYSA-N 1 2 343.431 1.203 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)CCN2C(=O)NC3(CCCC3)C2=O)n1 ZINC000279835130 443631357 /nfs/dbraw/zinc/63/13/57/443631357.db2.gz ZVHXGBDEHIASIF-UHFFFAOYSA-N 1 2 343.431 1.203 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000275596835 443632364 /nfs/dbraw/zinc/63/23/64/443632364.db2.gz KOJCXOKKLQCDFD-CYBMUJFWSA-N 1 2 325.372 1.641 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000274062280 443592184 /nfs/dbraw/zinc/59/21/84/443592184.db2.gz AJBLSCBDHYHQRX-RDBSUJKOSA-N 1 2 349.456 1.447 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000274062280 443592189 /nfs/dbraw/zinc/59/21/89/443592189.db2.gz AJBLSCBDHYHQRX-RDBSUJKOSA-N 1 2 349.456 1.447 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C1CC1 ZINC000274154618 443596276 /nfs/dbraw/zinc/59/62/76/443596276.db2.gz LLSXKTDUNVOXOA-UHFFFAOYSA-N 1 2 339.439 1.961 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C1CC1 ZINC000274154618 443596283 /nfs/dbraw/zinc/59/62/83/443596283.db2.gz LLSXKTDUNVOXOA-UHFFFAOYSA-N 1 2 339.439 1.961 20 30 EDEDLO C#CC[N@@H+](CC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1)C1CC1 ZINC000274230647 443599631 /nfs/dbraw/zinc/59/96/31/443599631.db2.gz WPSMDQLSTFBDSR-MRXNPFEDSA-N 1 2 343.383 1.548 20 30 EDEDLO C#CC[N@H+](CC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1)C1CC1 ZINC000274230647 443599633 /nfs/dbraw/zinc/59/96/33/443599633.db2.gz WPSMDQLSTFBDSR-MRXNPFEDSA-N 1 2 343.383 1.548 20 30 EDEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(C)nc1C(=O)OCC ZINC000274458692 443605885 /nfs/dbraw/zinc/60/58/85/443605885.db2.gz HAPBOFALTGBSLW-UHFFFAOYSA-N 1 2 327.384 1.899 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000279626131 443610620 /nfs/dbraw/zinc/61/06/20/443610620.db2.gz VDPBLGTWYFWTMF-KRWDZBQOSA-N 1 2 340.427 1.468 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000279626131 443610622 /nfs/dbraw/zinc/61/06/22/443610622.db2.gz VDPBLGTWYFWTMF-KRWDZBQOSA-N 1 2 340.427 1.468 20 30 EDEDLO CC#CCNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000276038392 443649617 /nfs/dbraw/zinc/64/96/17/443649617.db2.gz AHOKRUXHIDMEQZ-AWEZNQCLSA-N 1 2 329.400 1.158 20 30 EDEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000283534318 443655857 /nfs/dbraw/zinc/65/58/57/443655857.db2.gz XJZGPLNWFVQATE-VIFPVBQESA-N 1 2 331.775 1.497 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(C#N)c1C ZINC000287488303 443745655 /nfs/dbraw/zinc/74/56/55/443745655.db2.gz SQZQMXLUTIUMGK-AWEZNQCLSA-N 1 2 344.415 1.651 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(C#N)c1C ZINC000287488303 443745657 /nfs/dbraw/zinc/74/56/57/443745657.db2.gz SQZQMXLUTIUMGK-AWEZNQCLSA-N 1 2 344.415 1.651 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CCN1C ZINC000290925130 443713199 /nfs/dbraw/zinc/71/31/99/443713199.db2.gz IVAUXFZQPLVUSM-OAHLLOKOSA-N 1 2 326.360 1.693 20 30 EDEDLO C=CCSCCNC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000286601964 443717424 /nfs/dbraw/zinc/71/74/24/443717424.db2.gz XCKHQQZLAJQLNU-UONOGXRCSA-N 1 2 336.461 1.328 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000292249476 443786414 /nfs/dbraw/zinc/78/64/14/443786414.db2.gz DFNZKPOVQKWOEC-ILXRZTDVSA-N 1 2 346.431 1.213 20 30 EDEDLO Cc1nsc(N2CC[NH+](Cc3c[nH]c4nccnc34)CC2)c1C#N ZINC000291633435 443763214 /nfs/dbraw/zinc/76/32/14/443763214.db2.gz SNIDTNASVHJKFE-UHFFFAOYSA-N 1 2 339.428 1.917 20 30 EDEDLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3ccnc(C#N)c3)CC2)C1 ZINC000288019656 443764013 /nfs/dbraw/zinc/76/40/13/443764013.db2.gz SQCSQZQEXPUWBH-GOSISDBHSA-N 1 2 329.448 1.184 20 30 EDEDLO CCOC1(C)CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000298419678 443765574 /nfs/dbraw/zinc/76/55/74/443765574.db2.gz XOILJEHAIRFXAM-UHFFFAOYSA-N 1 2 337.445 1.618 20 30 EDEDLO C=CCCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000284378889 443774208 /nfs/dbraw/zinc/77/42/08/443774208.db2.gz MABJQIARNKLBAI-KRWDZBQOSA-N 1 2 345.443 1.086 20 30 EDEDLO C=CCCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000284378889 443774210 /nfs/dbraw/zinc/77/42/10/443774210.db2.gz MABJQIARNKLBAI-KRWDZBQOSA-N 1 2 345.443 1.086 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000298674404 443835112 /nfs/dbraw/zinc/83/51/12/443835112.db2.gz VVSJXBWDFGDLQT-KSSFIOAISA-N 1 2 331.416 1.813 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000298674404 443835116 /nfs/dbraw/zinc/83/51/16/443835116.db2.gz VVSJXBWDFGDLQT-KSSFIOAISA-N 1 2 331.416 1.813 20 30 EDEDLO CCc1ccc(C#CC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000293184835 443946062 /nfs/dbraw/zinc/94/60/62/443946062.db2.gz NVNPHLMFPPXPNB-VQIMIIECSA-N 1 2 326.440 1.780 20 30 EDEDLO C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000293018890 443904756 /nfs/dbraw/zinc/90/47/56/443904756.db2.gz HVHQWKJZJFUXTQ-KGLIPLIRSA-N 1 2 330.432 1.463 20 30 EDEDLO C#CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1ccccc1 ZINC000285375596 443960417 /nfs/dbraw/zinc/96/04/17/443960417.db2.gz KWEGAMTXTWLIND-BZSNNMDCSA-N 1 2 327.428 1.866 20 30 EDEDLO C#CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)c1ccccc1 ZINC000285375596 443960419 /nfs/dbraw/zinc/96/04/19/443960419.db2.gz KWEGAMTXTWLIND-BZSNNMDCSA-N 1 2 327.428 1.866 20 30 EDEDLO COc1ccc(C[N@@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)cc1C#N ZINC000285441784 443985732 /nfs/dbraw/zinc/98/57/32/443985732.db2.gz IWMHLSJLBVNCOC-OAHLLOKOSA-N 1 2 327.388 1.747 20 30 EDEDLO COc1ccc(C[N@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)cc1C#N ZINC000285441784 443985738 /nfs/dbraw/zinc/98/57/38/443985738.db2.gz IWMHLSJLBVNCOC-OAHLLOKOSA-N 1 2 327.388 1.747 20 30 EDEDLO C#CCOc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000285580324 444035553 /nfs/dbraw/zinc/03/55/53/444035553.db2.gz ASPVEHXVKWBQCL-NVXWUHKLSA-N 1 2 328.412 1.634 20 30 EDEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000285507733 444010689 /nfs/dbraw/zinc/01/06/89/444010689.db2.gz FSUTYIYWWJWHGA-AWEZNQCLSA-N 1 2 325.409 1.553 20 30 EDEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000285507733 444010691 /nfs/dbraw/zinc/01/06/91/444010691.db2.gz FSUTYIYWWJWHGA-AWEZNQCLSA-N 1 2 325.409 1.553 20 30 EDEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCC(=O)N(C)C3CC3)cn2)n1 ZINC000299572668 444082433 /nfs/dbraw/zinc/08/24/33/444082433.db2.gz BVSCHIXWJCAPKL-UHFFFAOYSA-N 1 2 342.403 1.142 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000285645765 444059804 /nfs/dbraw/zinc/05/98/04/444059804.db2.gz SAHOXRMMZULOOA-DAXOMENPSA-N 1 2 335.379 1.152 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285645765 444059809 /nfs/dbraw/zinc/05/98/09/444059809.db2.gz SAHOXRMMZULOOA-DAXOMENPSA-N 1 2 335.379 1.152 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCO1 ZINC000570873040 321360880 /nfs/dbraw/zinc/36/08/80/321360880.db2.gz FDNAHNVYZDPULW-CYBMUJFWSA-N 1 2 333.407 1.812 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCO1 ZINC000570873040 321360881 /nfs/dbraw/zinc/36/08/81/321360881.db2.gz FDNAHNVYZDPULW-CYBMUJFWSA-N 1 2 333.407 1.812 20 30 EDEDLO C#CCO[C@H](C)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000294520667 444120285 /nfs/dbraw/zinc/12/02/85/444120285.db2.gz IEOUMQGHQAROHR-QZTJIDSGSA-N 1 2 344.455 1.774 20 30 EDEDLO CCc1nc(CN2CCN(c3cc(C)[nH+]c(C)c3C#N)CC2)no1 ZINC000301685019 444185250 /nfs/dbraw/zinc/18/52/50/444185250.db2.gz UESCNILSQNGAFF-UHFFFAOYSA-N 1 2 326.404 1.838 20 30 EDEDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(C#N)nn3)CC2)c1 ZINC000301840792 444193445 /nfs/dbraw/zinc/19/34/45/444193445.db2.gz PDSOXCYKQRATDV-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296909652 444262670 /nfs/dbraw/zinc/26/26/70/444262670.db2.gz WFOHOVSJAXHCQN-SWLSCSKDSA-N 1 2 330.388 1.658 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296909652 444262673 /nfs/dbraw/zinc/26/26/73/444262673.db2.gz WFOHOVSJAXHCQN-SWLSCSKDSA-N 1 2 330.388 1.658 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000290440802 444281211 /nfs/dbraw/zinc/28/12/11/444281211.db2.gz RULGHEGNCLVYPP-ZQIUZPCESA-N 1 2 338.473 1.953 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000290440802 444281212 /nfs/dbraw/zinc/28/12/12/444281212.db2.gz RULGHEGNCLVYPP-ZQIUZPCESA-N 1 2 338.473 1.953 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000311679530 444293413 /nfs/dbraw/zinc/29/34/13/444293413.db2.gz LPUVPTWXNHKSHS-MRXNPFEDSA-N 1 2 325.368 1.782 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000311679530 444293414 /nfs/dbraw/zinc/29/34/14/444293414.db2.gz LPUVPTWXNHKSHS-MRXNPFEDSA-N 1 2 325.368 1.782 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000290603539 444300175 /nfs/dbraw/zinc/30/01/75/444300175.db2.gz AWKVDOXYHZIUAQ-KXBFYZLASA-N 1 2 345.443 1.989 20 30 EDEDLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOCC1)C1CCCCC1 ZINC000328764169 444345092 /nfs/dbraw/zinc/34/50/92/444345092.db2.gz GEICVMBXRUJJFG-OAHLLOKOSA-N 1 2 334.420 1.716 20 30 EDEDLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOCC1)C1CCCCC1 ZINC000328764169 444345094 /nfs/dbraw/zinc/34/50/94/444345094.db2.gz GEICVMBXRUJJFG-OAHLLOKOSA-N 1 2 334.420 1.716 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000339989679 444349651 /nfs/dbraw/zinc/34/96/51/444349651.db2.gz SUSGZQBLKOIKTF-INIZCTEOSA-N 1 2 339.480 1.274 20 30 EDEDLO C=CCCCNC(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000339990280 444349703 /nfs/dbraw/zinc/34/97/03/444349703.db2.gz CQKDLBRUPPXXKH-UHFFFAOYSA-N 1 2 340.427 1.673 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1C#N ZINC000324553110 444355981 /nfs/dbraw/zinc/35/59/81/444355981.db2.gz QDZSEGXFAURCTK-DOMZBBRYSA-N 1 2 334.445 1.509 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc1C#N ZINC000324553110 444355983 /nfs/dbraw/zinc/35/59/83/444355983.db2.gz QDZSEGXFAURCTK-DOMZBBRYSA-N 1 2 334.445 1.509 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2N1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000328821635 444364771 /nfs/dbraw/zinc/36/47/71/444364771.db2.gz RFCIGUYCFOWKEU-ZDUSSCGKSA-N 1 2 330.392 1.060 20 30 EDEDLO Cc1cccc(S(=O)(=O)NC[C@H]2CCn3cc[nH+]c3C2)c1C#N ZINC000328634302 444405087 /nfs/dbraw/zinc/40/50/87/444405087.db2.gz UADFFDCKRYCRLZ-ZDUSSCGKSA-N 1 2 330.413 1.604 20 30 EDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCOC3(CCOCC3)C1)CCC2 ZINC000328663278 444420036 /nfs/dbraw/zinc/42/00/36/444420036.db2.gz XVCFRQBABRBIAR-OAHLLOKOSA-N 1 2 348.447 1.864 20 30 EDEDLO COc1ccc(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)nn1 ZINC000328668704 444421649 /nfs/dbraw/zinc/42/16/49/444421649.db2.gz FGSUEGPZRZKNJS-UHFFFAOYSA-N 1 2 347.463 1.892 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000297991675 444380801 /nfs/dbraw/zinc/38/08/01/444380801.db2.gz ZILPJTLPTPDUDO-UHFFFAOYSA-N 1 2 345.443 1.374 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@@H](NC(N)=O)C1)C2 ZINC000328910895 444398771 /nfs/dbraw/zinc/39/87/71/444398771.db2.gz FXVVQDBRERBSRH-NWDGAFQWSA-N 1 2 348.451 1.566 20 30 EDEDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)CC(C)(C)CC#N)C[C@@H](C)O1 ZINC000331320241 444465314 /nfs/dbraw/zinc/46/53/14/444465314.db2.gz KKOKZDMDKVAOQT-ZIAGYGMSSA-N 1 2 345.509 1.733 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000331479417 444473872 /nfs/dbraw/zinc/47/38/72/444473872.db2.gz NUPYJROBRQMWAK-JYJNAYRXSA-N 1 2 347.463 1.779 20 30 EDEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)N(C)CCC#N ZINC000331190469 444437359 /nfs/dbraw/zinc/43/73/59/444437359.db2.gz QKULUPUCVFBXTO-CYBMUJFWSA-N 1 2 325.438 1.520 20 30 EDEDLO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000329002131 444440435 /nfs/dbraw/zinc/44/04/35/444440435.db2.gz XTVQLVQFKZXRRZ-BNOWGMLFSA-N 1 2 332.404 1.974 20 30 EDEDLO COc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000329002131 444440439 /nfs/dbraw/zinc/44/04/39/444440439.db2.gz XTVQLVQFKZXRRZ-BNOWGMLFSA-N 1 2 332.404 1.974 20 30 EDEDLO CC[C@@H](C(=O)N[C@H]1COC[C@H]1n1ccnn1)[N@@H+]1CCO[C@H](CC)C1 ZINC000329153053 444485432 /nfs/dbraw/zinc/48/54/32/444485432.db2.gz AYAXJRAYVHPMDU-CBBWQLFWSA-N 1 2 337.424 1.064 20 30 EDEDLO CC[C@@H](C(=O)N[C@H]1COC[C@H]1n1ccnn1)[N@H+]1CCO[C@H](CC)C1 ZINC000329153053 444485435 /nfs/dbraw/zinc/48/54/35/444485435.db2.gz AYAXJRAYVHPMDU-CBBWQLFWSA-N 1 2 337.424 1.064 20 30 EDEDLO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329164244 444489308 /nfs/dbraw/zinc/48/93/08/444489308.db2.gz GVDQIUVWGLZBOS-NUEKZKHPSA-N 1 2 334.441 1.966 20 30 EDEDLO O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329164244 444489311 /nfs/dbraw/zinc/48/93/11/444489311.db2.gz GVDQIUVWGLZBOS-NUEKZKHPSA-N 1 2 334.441 1.966 20 30 EDEDLO CC(C)n1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000580710109 322085373 /nfs/dbraw/zinc/08/53/73/322085373.db2.gz UPRSSXVLRDJKIC-UHFFFAOYSA-N 1 2 332.429 1.899 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1C#N ZINC000329222536 444505208 /nfs/dbraw/zinc/50/52/08/444505208.db2.gz WOHVTTKDAACYIE-SNVBAGLBSA-N 1 2 332.429 1.595 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1C#N ZINC000329222536 444505211 /nfs/dbraw/zinc/50/52/11/444505211.db2.gz WOHVTTKDAACYIE-SNVBAGLBSA-N 1 2 332.429 1.595 20 30 EDEDLO Cc1noc([C@@H]2CCCN2C(=O)NCC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000329265684 444516431 /nfs/dbraw/zinc/51/64/31/444516431.db2.gz HDYRKGRWTQJHBS-ZDUSSCGKSA-N 1 2 337.424 1.540 20 30 EDEDLO Cc1noc([C@@H]2CCCN2C(=O)NCC[N@H+]2CCOC(C)(C)C2)n1 ZINC000329265684 444516434 /nfs/dbraw/zinc/51/64/34/444516434.db2.gz HDYRKGRWTQJHBS-ZDUSSCGKSA-N 1 2 337.424 1.540 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CCCCO2)CCC(=O)N1C1CC1 ZINC000329320165 444533369 /nfs/dbraw/zinc/53/33/69/444533369.db2.gz IVGMMABBFBLLGK-CZUORRHYSA-N 1 2 347.419 1.556 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccnc3c2cnn3C)CC1 ZINC000329327344 444536270 /nfs/dbraw/zinc/53/62/70/444536270.db2.gz UMYBVPNXPUCAFH-LBPRGKRZSA-N 1 2 328.420 1.598 20 30 EDEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000343763294 444573020 /nfs/dbraw/zinc/57/30/20/444573020.db2.gz IVFVNTRCDNIHOJ-INIZCTEOSA-N 1 2 347.850 1.547 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)CN3CC(=O)NC3=O)c[nH+]2)CCO1 ZINC000329420708 444573335 /nfs/dbraw/zinc/57/33/35/444573335.db2.gz FGYWXUOUNHXPSK-LLVKDONJSA-N 1 2 347.375 1.155 20 30 EDEDLO Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000338183157 444552774 /nfs/dbraw/zinc/55/27/74/444552774.db2.gz YHXXHYWKESLNHQ-AUUYWEPGSA-N 1 2 335.411 1.882 20 30 EDEDLO Cc1nn(C)c(C)c1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000338183157 444552777 /nfs/dbraw/zinc/55/27/77/444552777.db2.gz YHXXHYWKESLNHQ-AUUYWEPGSA-N 1 2 335.411 1.882 20 30 EDEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)Nc1ccc2c(c1)OCO2 ZINC000329459283 444588252 /nfs/dbraw/zinc/58/82/52/444588252.db2.gz RPJNMGLGEHXYDA-SNVBAGLBSA-N 1 2 332.316 1.080 20 30 EDEDLO CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1(C)C ZINC000329537267 444619888 /nfs/dbraw/zinc/61/98/88/444619888.db2.gz BLXHLOKTRXODED-QKPAOTATSA-N 1 2 339.480 1.757 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@]1(C)CCO[C@@H]1C ZINC000329548097 444624686 /nfs/dbraw/zinc/62/46/86/444624686.db2.gz INWPGSIOACXDCO-CXAGYDPISA-N 1 2 334.420 1.929 20 30 EDEDLO N#Cc1ccnc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)c1Cl ZINC000342361993 444655090 /nfs/dbraw/zinc/65/50/90/444655090.db2.gz PVDOUYDMMXQOCL-UHFFFAOYSA-N 1 2 328.763 1.681 20 30 EDEDLO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCS(=O)(=O)C3)sc2C1 ZINC000329684549 444679366 /nfs/dbraw/zinc/67/93/66/444679366.db2.gz ZPBMPKKUADLPQJ-SNVBAGLBSA-N 1 2 343.474 1.932 20 30 EDEDLO CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CCS(=O)(=O)C3)sc2C1 ZINC000329684549 444679370 /nfs/dbraw/zinc/67/93/70/444679370.db2.gz ZPBMPKKUADLPQJ-SNVBAGLBSA-N 1 2 343.474 1.932 20 30 EDEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000341303388 444769672 /nfs/dbraw/zinc/76/96/72/444769672.db2.gz HLBACNUZYDWCKQ-KRWDZBQOSA-N 1 2 346.431 1.047 20 30 EDEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000341303388 444769676 /nfs/dbraw/zinc/76/96/76/444769676.db2.gz HLBACNUZYDWCKQ-KRWDZBQOSA-N 1 2 346.431 1.047 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329936235 444776694 /nfs/dbraw/zinc/77/66/94/444776694.db2.gz KVJFOAODIQRPFW-WCVJEAGWSA-N 1 2 325.453 1.511 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329936235 444776699 /nfs/dbraw/zinc/77/66/99/444776699.db2.gz KVJFOAODIQRPFW-WCVJEAGWSA-N 1 2 325.453 1.511 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[C@]23CCOC3)cn1 ZINC000329982623 444798366 /nfs/dbraw/zinc/79/83/66/444798366.db2.gz OZPQIEUKQHWZLP-JKQORVJESA-N 1 2 336.411 1.716 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2C[C@]23CCOC3)cn1 ZINC000329982623 444798368 /nfs/dbraw/zinc/79/83/68/444798368.db2.gz OZPQIEUKQHWZLP-JKQORVJESA-N 1 2 336.411 1.716 20 30 EDEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@@H](N2CCCC2=O)C1 ZINC000330048664 444823897 /nfs/dbraw/zinc/82/38/97/444823897.db2.gz ITMWVUNNYCJGEB-OAHLLOKOSA-N 1 2 345.447 1.373 20 30 EDEDLO CC(C)(C)C(=O)N1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330201782 444886524 /nfs/dbraw/zinc/88/65/24/444886524.db2.gz YIAPSMLFPSWMEU-ZDUSSCGKSA-N 1 2 333.436 1.302 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000330210269 444889108 /nfs/dbraw/zinc/88/91/08/444889108.db2.gz CFVFXYQQWNDRSN-JKSUJKDBSA-N 1 2 338.496 1.618 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000330210269 444889112 /nfs/dbraw/zinc/88/91/12/444889112.db2.gz CFVFXYQQWNDRSN-JKSUJKDBSA-N 1 2 338.496 1.618 20 30 EDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000330281863 444921384 /nfs/dbraw/zinc/92/13/84/444921384.db2.gz VAEAGZMTSQUKRV-OAGGEKHMSA-N 1 2 347.463 1.155 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCc2ccccc2OC)C1=O ZINC000337200892 444983195 /nfs/dbraw/zinc/98/31/95/444983195.db2.gz CDOGOQWQLSZYJE-INIZCTEOSA-N 1 2 345.443 1.073 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCc2ccccc2OC)C1=O ZINC000337200892 444983199 /nfs/dbraw/zinc/98/31/99/444983199.db2.gz CDOGOQWQLSZYJE-INIZCTEOSA-N 1 2 345.443 1.073 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC[C@@H]21 ZINC000330545660 445028639 /nfs/dbraw/zinc/02/86/39/445028639.db2.gz KLGSXWNZXWBPTL-JKIFEVAISA-N 1 2 335.452 1.122 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC[C@@H]21 ZINC000330545660 445028641 /nfs/dbraw/zinc/02/86/41/445028641.db2.gz KLGSXWNZXWBPTL-JKIFEVAISA-N 1 2 335.452 1.122 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCc2ccccc2OC)C1=O ZINC000337221568 444992240 /nfs/dbraw/zinc/99/22/40/444992240.db2.gz LHSCEKJLHWTJMC-GDBMZVCRSA-N 1 2 345.443 1.419 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCc2ccccc2OC)C1=O ZINC000337221568 444992245 /nfs/dbraw/zinc/99/22/45/444992245.db2.gz LHSCEKJLHWTJMC-GDBMZVCRSA-N 1 2 345.443 1.419 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C)Cc2ccccc2C)C1=O ZINC000337225536 444992830 /nfs/dbraw/zinc/99/28/30/444992830.db2.gz OJPLKNOIQPBUSZ-SJLPKXTDSA-N 1 2 343.471 1.761 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C)Cc2ccccc2C)C1=O ZINC000337225536 444992832 /nfs/dbraw/zinc/99/28/32/444992832.db2.gz OJPLKNOIQPBUSZ-SJLPKXTDSA-N 1 2 343.471 1.761 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)C1=O ZINC000337279928 445013520 /nfs/dbraw/zinc/01/35/20/445013520.db2.gz UVXYRIQHNFVAQV-RDJZCZTQSA-N 1 2 329.444 1.925 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)C1=O ZINC000337279928 445013522 /nfs/dbraw/zinc/01/35/22/445013522.db2.gz UVXYRIQHNFVAQV-RDJZCZTQSA-N 1 2 329.444 1.925 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337441078 445082170 /nfs/dbraw/zinc/08/21/70/445082170.db2.gz GBYRRBPMGJXMEL-JKSUJKDBSA-N 1 2 339.457 1.274 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337441078 445082175 /nfs/dbraw/zinc/08/21/75/445082175.db2.gz GBYRRBPMGJXMEL-JKSUJKDBSA-N 1 2 339.457 1.274 20 30 EDEDLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)n1cnc(C#N)n1 ZINC000337566665 445140317 /nfs/dbraw/zinc/14/03/17/445140317.db2.gz BNJYRKMMDHPSIK-SMDDNHRTSA-N 1 2 328.351 1.023 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)CCCCC1 ZINC000330707070 445105426 /nfs/dbraw/zinc/10/54/26/445105426.db2.gz UMDQNLFZFXISQA-YPMHNXCESA-N 1 2 333.354 1.717 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)CCCCC1 ZINC000330707070 445105430 /nfs/dbraw/zinc/10/54/30/445105430.db2.gz UMDQNLFZFXISQA-YPMHNXCESA-N 1 2 333.354 1.717 20 30 EDEDLO CC#CC[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000339755890 445168031 /nfs/dbraw/zinc/16/80/31/445168031.db2.gz ZTGUHFWNVSPQJY-UHFFFAOYSA-N 1 2 348.472 1.762 20 30 EDEDLO CC#CC[N@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC ZINC000339755890 445168033 /nfs/dbraw/zinc/16/80/33/445168033.db2.gz ZTGUHFWNVSPQJY-UHFFFAOYSA-N 1 2 348.472 1.762 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000343345153 445206155 /nfs/dbraw/zinc/20/61/55/445206155.db2.gz FSUTXGSAYIJHJU-HNNXBMFYSA-N 1 2 335.452 2.082 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)C1 ZINC000330959887 445202051 /nfs/dbraw/zinc/20/20/51/445202051.db2.gz XGUPCKYLHMXWBE-MWLCHTKSSA-N 1 2 325.438 1.295 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)C1 ZINC000330959887 445202052 /nfs/dbraw/zinc/20/20/52/445202052.db2.gz XGUPCKYLHMXWBE-MWLCHTKSSA-N 1 2 325.438 1.295 20 30 EDEDLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347065663 445230564 /nfs/dbraw/zinc/23/05/64/445230564.db2.gz YLYUEIFUAXYNCG-UHFFFAOYSA-N 1 2 339.237 1.782 20 30 EDEDLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347065663 445230565 /nfs/dbraw/zinc/23/05/65/445230565.db2.gz YLYUEIFUAXYNCG-UHFFFAOYSA-N 1 2 339.237 1.782 20 30 EDEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000347543105 445242244 /nfs/dbraw/zinc/24/22/44/445242244.db2.gz YCVVJVUUAPVQRD-SJORKVTESA-N 1 2 347.463 1.364 20 30 EDEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000347543105 445242245 /nfs/dbraw/zinc/24/22/45/445242245.db2.gz YCVVJVUUAPVQRD-SJORKVTESA-N 1 2 347.463 1.364 20 30 EDEDLO COc1cc[nH+]cc1CNC(=O)COc1ccc(C#N)cc1OC ZINC000348381362 445272075 /nfs/dbraw/zinc/27/20/75/445272075.db2.gz CRHSDWFFMDURLA-UHFFFAOYSA-N 1 2 327.340 1.666 20 30 EDEDLO C=CCOC[C@H]1NC(=O)N(CCCn2c(C)[nH+]c3ccccc32)C1=O ZINC000348428790 445287515 /nfs/dbraw/zinc/28/75/15/445287515.db2.gz LUCNQWQTUOEDFY-OAHLLOKOSA-N 1 2 342.399 1.858 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2cscc2C#N)C1 ZINC000348290558 445340219 /nfs/dbraw/zinc/34/02/19/445340219.db2.gz CHROCKIMEDGQLE-CYBMUJFWSA-N 1 2 327.413 1.756 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2cscc2C#N)C1 ZINC000348290558 445340222 /nfs/dbraw/zinc/34/02/22/445340222.db2.gz CHROCKIMEDGQLE-CYBMUJFWSA-N 1 2 327.413 1.756 20 30 EDEDLO CN(C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)c1ccc(C#N)[nH]1 ZINC000351895804 445360826 /nfs/dbraw/zinc/36/08/26/445360826.db2.gz MQQQKPLNUVEQIJ-HIFRSBDPSA-N 1 2 344.394 1.304 20 30 EDEDLO CN(C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)c1ccc(C#N)[nH]1 ZINC000351895804 445360830 /nfs/dbraw/zinc/36/08/30/445360830.db2.gz MQQQKPLNUVEQIJ-HIFRSBDPSA-N 1 2 344.394 1.304 20 30 EDEDLO CC[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@@H](C)S1(=O)=O ZINC000349037374 445483764 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Cn1ncc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1C#N ZINC000353342029 445590276 /nfs/dbraw/zinc/59/02/76/445590276.db2.gz GECLQAILFLUOSS-YVMONPNESA-N 1 2 335.411 1.763 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000362877333 445593479 /nfs/dbraw/zinc/59/34/79/445593479.db2.gz RXTMFROEVZDIHG-KBPBESRZSA-N 1 2 333.436 1.538 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000362877333 445593481 /nfs/dbraw/zinc/59/34/81/445593481.db2.gz RXTMFROEVZDIHG-KBPBESRZSA-N 1 2 333.436 1.538 20 30 EDEDLO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3nc(C#N)cs3)CC2)n1 ZINC000356399872 445772283 /nfs/dbraw/zinc/77/22/83/445772283.db2.gz UKUVKWGRAJZZQL-UHFFFAOYSA-N 1 2 346.416 1.689 20 30 EDEDLO CC#CCCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000361424232 445765284 /nfs/dbraw/zinc/76/52/84/445765284.db2.gz ZAXYCMWCGHBDMV-GOSISDBHSA-N 1 2 329.444 1.643 20 30 EDEDLO CC#CCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000361424233 445766121 /nfs/dbraw/zinc/76/61/21/445766121.db2.gz ZAXYCMWCGHBDMV-SFHVURJKSA-N 1 2 329.444 1.643 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(F)(C#N)CC1 ZINC000356495971 445822605 /nfs/dbraw/zinc/82/26/05/445822605.db2.gz DMAAESOGLNPELV-CQSZACIVSA-N 1 2 349.410 1.337 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(F)(C#N)CC1 ZINC000356495971 445822609 /nfs/dbraw/zinc/82/26/09/445822609.db2.gz DMAAESOGLNPELV-CQSZACIVSA-N 1 2 349.410 1.337 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356471107 445808842 /nfs/dbraw/zinc/80/88/42/445808842.db2.gz HGIRHGFFKFZMGG-ZDUSSCGKSA-N 1 2 338.415 1.873 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356471107 445808843 /nfs/dbraw/zinc/80/88/43/445808843.db2.gz HGIRHGFFKFZMGG-ZDUSSCGKSA-N 1 2 338.415 1.873 20 30 EDEDLO N#Cc1ccc2ncc(C[N@@H+](CCC(F)(F)F)C[C@@H](O)CO)n2c1 ZINC000354017332 445857070 /nfs/dbraw/zinc/85/70/70/445857070.db2.gz JJHRKVJMBSKOHT-CYBMUJFWSA-N 1 2 342.321 1.314 20 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/nfs/dbraw/zinc/97/03/13/445970313.db2.gz PWWYBCSNVBECQE-UHFFFAOYSA-N 1 2 337.427 1.839 20 30 EDEDLO N#CCCN(Cc1ccccn1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000364689961 445946339 /nfs/dbraw/zinc/94/63/39/445946339.db2.gz ZLFURNIEIBFDDH-UHFFFAOYSA-N 1 2 328.416 1.579 20 30 EDEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCn2c[nH+]cc2C1 ZINC000583726510 326126030 /nfs/dbraw/zinc/12/60/30/326126030.db2.gz BSVFFKHHWBHBGY-UHFFFAOYSA-N 1 2 349.398 1.389 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000369297507 446056165 /nfs/dbraw/zinc/05/61/65/446056165.db2.gz FNQJKQMYZNCDFE-QWQRMKEZSA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000369297507 446056170 /nfs/dbraw/zinc/05/61/70/446056170.db2.gz FNQJKQMYZNCDFE-QWQRMKEZSA-N 1 2 329.400 1.765 20 30 EDEDLO Cc1nc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)oc1C ZINC000583844302 326149428 /nfs/dbraw/zinc/14/94/28/326149428.db2.gz BQXOJPDYAVGNJS-UHFFFAOYSA-N 1 2 328.372 1.205 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000373205867 446095898 /nfs/dbraw/zinc/09/58/98/446095898.db2.gz USSHLAMQPJIIEX-DOTOQJQBSA-N 1 2 332.400 1.980 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000373205867 446095900 /nfs/dbraw/zinc/09/59/00/446095900.db2.gz USSHLAMQPJIIEX-DOTOQJQBSA-N 1 2 332.400 1.980 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cc1F ZINC000354341553 446126214 /nfs/dbraw/zinc/12/62/14/446126214.db2.gz WIARBYMMWFNINS-UHFFFAOYSA-N 1 2 337.314 1.600 20 30 EDEDLO C[C@@H]1C[C@@]2(C[C@H]2C(=O)N(CCC#N)CC[NH+]2CCOCC2)CCO1 ZINC000373374922 446188132 /nfs/dbraw/zinc/18/81/32/446188132.db2.gz BPFZMXTXMKQFEG-SOLBZPMBSA-N 1 2 335.448 1.266 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000359396783 446199063 /nfs/dbraw/zinc/19/90/63/446199063.db2.gz WSYXRSRBVJURAE-ZDUSSCGKSA-N 1 2 332.448 1.646 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000365452200 446214249 /nfs/dbraw/zinc/21/42/49/446214249.db2.gz GHZHGEJOOIWSBJ-UHFFFAOYSA-N 1 2 339.380 1.617 20 30 EDEDLO Cc1cc(C)c(C#N)c(N2CCO[C@@H](C[NH+]3CCN(C)CC3)C2)n1 ZINC000373672879 446297415 /nfs/dbraw/zinc/29/74/15/446297415.db2.gz KBNDPDVTVJWJQJ-INIZCTEOSA-N 1 2 329.448 1.023 20 30 EDEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)nc3)CC2)oc1C ZINC000376191684 446373524 /nfs/dbraw/zinc/37/35/24/446373524.db2.gz QGMDONJQICCLBB-UHFFFAOYSA-N 1 2 339.399 1.906 20 30 EDEDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)nc3)CC2)oc1C ZINC000376191684 446373529 /nfs/dbraw/zinc/37/35/29/446373529.db2.gz QGMDONJQICCLBB-UHFFFAOYSA-N 1 2 339.399 1.906 20 30 EDEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+]([C@H](C)CCC#N)CC1 ZINC000411146153 446410053 /nfs/dbraw/zinc/41/00/53/446410053.db2.gz MQPBINZXRBKOLG-GFCCVEGCSA-N 1 2 340.449 1.680 20 30 EDEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+]([C@H](C)CCC#N)CC1 ZINC000411146153 446410058 /nfs/dbraw/zinc/41/00/58/446410058.db2.gz MQPBINZXRBKOLG-GFCCVEGCSA-N 1 2 340.449 1.680 20 30 EDEDLO Cc1ccc(C(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)cc1C#N ZINC000366922184 446412132 /nfs/dbraw/zinc/41/21/32/446412132.db2.gz GMDHFFZIPAFHRY-UHFFFAOYSA-N 1 2 337.427 1.948 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452945601 446511891 /nfs/dbraw/zinc/51/18/91/446511891.db2.gz VTQNPMYGKQOTBB-DOMZBBRYSA-N 1 2 328.328 1.854 20 30 EDEDLO COc1ccncc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000367737511 446580052 /nfs/dbraw/zinc/58/00/52/446580052.db2.gz MQJGWYSSMGLOHD-AUUYWEPGSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1ccncc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000367737511 446580057 /nfs/dbraw/zinc/58/00/57/446580057.db2.gz MQJGWYSSMGLOHD-AUUYWEPGSA-N 1 2 334.379 1.936 20 30 EDEDLO CN(C(=O)C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1)C1(C#N)CCCCC1 ZINC000367820958 446593874 /nfs/dbraw/zinc/59/38/74/446593874.db2.gz FJIYAQHAWJQNLZ-CQSZACIVSA-N 1 2 341.477 1.038 20 30 EDEDLO CN(C(=O)C[N@H+]1CC[C@@H](CS(C)(=O)=O)C1)C1(C#N)CCCCC1 ZINC000367820958 446593878 /nfs/dbraw/zinc/59/38/78/446593878.db2.gz FJIYAQHAWJQNLZ-CQSZACIVSA-N 1 2 341.477 1.038 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000367848463 446599563 /nfs/dbraw/zinc/59/95/63/446599563.db2.gz LJQGDKHUSPJOQJ-RBUKOAKNSA-N 1 2 341.455 1.737 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(CC#N)cc2)C1 ZINC000434668321 446658405 /nfs/dbraw/zinc/65/84/05/446658405.db2.gz YYFUFNXWTJXAEO-SFHVURJKSA-N 1 2 327.428 1.935 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(CC#N)cc2)C1 ZINC000434668321 446658408 /nfs/dbraw/zinc/65/84/08/446658408.db2.gz YYFUFNXWTJXAEO-SFHVURJKSA-N 1 2 327.428 1.935 20 30 EDEDLO Cn1cc([C@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)CCO2)cn1 ZINC000435001582 446672201 /nfs/dbraw/zinc/67/22/01/446672201.db2.gz UZFBOKIAQLOIJM-QGZVFWFLSA-N 1 2 339.399 1.694 20 30 EDEDLO Cn1cc([C@H]2C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CCO2)cn1 ZINC000435001582 446672209 /nfs/dbraw/zinc/67/22/09/446672209.db2.gz UZFBOKIAQLOIJM-QGZVFWFLSA-N 1 2 339.399 1.694 20 30 EDEDLO CCCN(CCC)S(=O)(=O)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411629802 446627971 /nfs/dbraw/zinc/62/79/71/446627971.db2.gz CXESHKHXBCUENL-HNNXBMFYSA-N 1 2 330.498 1.663 20 30 EDEDLO Cc1nnc(NC[C@]2([NH+]3CCOCC3)CCCOC2)c(C#N)c1C ZINC000371214551 446693302 /nfs/dbraw/zinc/69/33/02/446693302.db2.gz YFVAVNGFYOGCOC-QGZVFWFLSA-N 1 2 331.420 1.258 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000371319783 446771787 /nfs/dbraw/zinc/77/17/87/446771787.db2.gz VMLYWPYEEIWYFQ-AWEZNQCLSA-N 1 2 330.413 1.778 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000438452696 446793172 /nfs/dbraw/zinc/79/31/72/446793172.db2.gz WLMPYNMKSSQMMU-JYJNAYRXSA-N 1 2 325.453 1.378 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000438452696 446793182 /nfs/dbraw/zinc/79/31/82/446793182.db2.gz WLMPYNMKSSQMMU-JYJNAYRXSA-N 1 2 325.453 1.378 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(-c3ccccc3F)[nH]n2)CC1 ZINC000368368610 446814353 /nfs/dbraw/zinc/81/43/53/446814353.db2.gz BCXYLPZTHUIJKO-UHFFFAOYSA-N 1 2 343.406 1.640 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(NC(=O)NC)CC2)c1C ZINC000412055461 446818128 /nfs/dbraw/zinc/81/81/28/446818128.db2.gz PEQXKJDGHIYLBJ-UHFFFAOYSA-N 1 2 332.448 1.867 20 30 EDEDLO N#C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000424106564 446852848 /nfs/dbraw/zinc/85/28/48/446852848.db2.gz MNISXDXUQQUBCH-DZGCQCFKSA-N 1 2 329.404 1.410 20 30 EDEDLO Cc1cc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1C#N ZINC000375519513 446868418 /nfs/dbraw/zinc/86/84/18/446868418.db2.gz AJTRGRHLSQIXNC-IRXDYDNUSA-N 1 2 349.456 1.086 20 30 EDEDLO C#CCCCS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000375519251 446868709 /nfs/dbraw/zinc/86/87/09/446868709.db2.gz JHFLVQJEBCPMCV-KRWDZBQOSA-N 1 2 336.457 1.220 20 30 EDEDLO C#CCCCS(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000375519251 446868716 /nfs/dbraw/zinc/86/87/16/446868716.db2.gz JHFLVQJEBCPMCV-KRWDZBQOSA-N 1 2 336.457 1.220 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+](CCOc2cccc(C#N)c2)[C@@H]1C(=O)OC ZINC000441648167 446871175 /nfs/dbraw/zinc/87/11/75/446871175.db2.gz PENJCMGPURZYBZ-CVEARBPZSA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)[C@@H]1C(=O)OC ZINC000441648167 446871183 /nfs/dbraw/zinc/87/11/83/446871183.db2.gz PENJCMGPURZYBZ-CVEARBPZSA-N 1 2 346.383 1.364 20 30 EDEDLO N#C[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CCN1C1CC1 ZINC000371622789 446939601 /nfs/dbraw/zinc/93/96/01/446939601.db2.gz XYLSJWFKRNXLOR-INIZCTEOSA-N 1 2 338.415 1.259 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371686039 446947359 /nfs/dbraw/zinc/94/73/59/446947359.db2.gz QQVNABNEVFEVOU-CQSZACIVSA-N 1 2 337.445 1.015 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425473635 447181082 /nfs/dbraw/zinc/18/10/82/447181082.db2.gz XYFKOKKCQQWJPE-HZPDHXFCSA-N 1 2 343.475 1.897 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000425487744 447187403 /nfs/dbraw/zinc/18/74/03/447187403.db2.gz MJJYVAYESAAJEQ-MNOVXSKESA-N 1 2 338.433 1.588 20 30 EDEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)s1 ZINC000425495065 447191176 /nfs/dbraw/zinc/19/11/76/447191176.db2.gz YSSHJJAOYHXQPO-LLVKDONJSA-N 1 2 349.416 1.236 20 30 EDEDLO C=C(C)[C@@H](CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)OCC ZINC000447673284 447283980 /nfs/dbraw/zinc/28/39/80/447283980.db2.gz XDFGCJQNCFTBNY-QGZVFWFLSA-N 1 2 345.443 1.840 20 30 EDEDLO C=C(C)[C@@H](CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)OCC ZINC000447673284 447283987 /nfs/dbraw/zinc/28/39/87/447283987.db2.gz XDFGCJQNCFTBNY-QGZVFWFLSA-N 1 2 345.443 1.840 20 30 EDEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422482216 447587177 /nfs/dbraw/zinc/58/71/77/447587177.db2.gz YJSNQEATAQFGDV-UHFFFAOYSA-N 1 2 340.427 1.336 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000459009633 447538439 /nfs/dbraw/zinc/53/84/39/447538439.db2.gz AZNQUUPGLDDWNL-SJORKVTESA-N 1 2 349.431 1.467 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(C2CC2)nc1 ZINC000459366925 447646769 /nfs/dbraw/zinc/64/67/69/447646769.db2.gz YJUFOSDGBZGUQA-CYBMUJFWSA-N 1 2 335.415 1.726 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(C2CC2)nc1 ZINC000459366925 447646775 /nfs/dbraw/zinc/64/67/75/447646775.db2.gz YJUFOSDGBZGUQA-CYBMUJFWSA-N 1 2 335.415 1.726 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000410549396 447695287 /nfs/dbraw/zinc/69/52/87/447695287.db2.gz WOKNMJDYYMSKHX-MRXNPFEDSA-N 1 2 329.444 1.754 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000410549396 447695290 /nfs/dbraw/zinc/69/52/90/447695290.db2.gz WOKNMJDYYMSKHX-MRXNPFEDSA-N 1 2 329.444 1.754 20 30 EDEDLO CC1(C)CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)[C@H]1C#N ZINC000408403197 447657936 /nfs/dbraw/zinc/65/79/36/447657936.db2.gz SYOLWOKCLRUPTI-AWEZNQCLSA-N 1 2 329.466 1.053 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNc2nccc(C#N)c2Cl)nc[nH+]1 ZINC000429209828 447735811 /nfs/dbraw/zinc/73/58/11/447735811.db2.gz VWWMBDCWMVTMMH-GFCCVEGCSA-N 1 2 343.822 2.519 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNc2nccc(C#N)c2Cl)[nH+]cn1 ZINC000429209828 447735813 /nfs/dbraw/zinc/73/58/13/447735813.db2.gz VWWMBDCWMVTMMH-GFCCVEGCSA-N 1 2 343.822 2.519 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429267170 447737752 /nfs/dbraw/zinc/73/77/52/447737752.db2.gz ZZCDFGSWYUXTQF-KGLIPLIRSA-N 1 2 348.422 1.737 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429267170 447737754 /nfs/dbraw/zinc/73/77/54/447737754.db2.gz ZZCDFGSWYUXTQF-KGLIPLIRSA-N 1 2 348.422 1.737 20 30 EDEDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)CCO2 ZINC000451646906 447743774 /nfs/dbraw/zinc/74/37/74/447743774.db2.gz KWYFGQCQJGJCQT-ZDUSSCGKSA-N 1 2 329.400 1.841 20 30 EDEDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)CCO2 ZINC000451646906 447743777 /nfs/dbraw/zinc/74/37/77/447743777.db2.gz KWYFGQCQJGJCQT-ZDUSSCGKSA-N 1 2 329.400 1.841 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000451713089 447747392 /nfs/dbraw/zinc/74/73/92/447747392.db2.gz TWRHACIPTSDGRQ-DOTOQJQBSA-N 1 2 340.489 1.476 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000451713089 447747395 /nfs/dbraw/zinc/74/73/95/447747395.db2.gz TWRHACIPTSDGRQ-DOTOQJQBSA-N 1 2 340.489 1.476 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@@H+](CCO)CCOCCO)c1 ZINC000459768794 447759897 /nfs/dbraw/zinc/75/98/97/447759897.db2.gz AGMZDGMJNFBRMK-UHFFFAOYSA-N 1 2 343.221 1.124 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@H+](CCO)CCOCCO)c1 ZINC000459768794 447759900 /nfs/dbraw/zinc/75/99/00/447759900.db2.gz AGMZDGMJNFBRMK-UHFFFAOYSA-N 1 2 343.221 1.124 20 30 EDEDLO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000530337732 447863501 /nfs/dbraw/zinc/86/35/01/447863501.db2.gz POMMGZPHAJWGHL-CQSZACIVSA-N 1 2 328.416 1.816 20 30 EDEDLO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000530337732 447863505 /nfs/dbraw/zinc/86/35/05/447863505.db2.gz POMMGZPHAJWGHL-CQSZACIVSA-N 1 2 328.416 1.816 20 30 EDEDLO CCOC(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000490830534 447897787 /nfs/dbraw/zinc/89/77/87/447897787.db2.gz FYTSQAHJGDKPQM-INIZCTEOSA-N 1 2 344.415 1.385 20 30 EDEDLO CCOC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000490830534 447897790 /nfs/dbraw/zinc/89/77/90/447897790.db2.gz FYTSQAHJGDKPQM-INIZCTEOSA-N 1 2 344.415 1.385 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(COCC)n2Cc2cccs2)CC1 ZINC000491164770 447944872 /nfs/dbraw/zinc/94/48/72/447944872.db2.gz FPAFVQBVWJNDLC-UHFFFAOYSA-N 1 2 345.472 1.680 20 30 EDEDLO C#CC[NH+]1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000491220165 447962844 /nfs/dbraw/zinc/96/28/44/447962844.db2.gz KYZSIZNZNODCRX-UHFFFAOYSA-N 1 2 325.372 1.667 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524593644 447935798 /nfs/dbraw/zinc/93/57/98/447935798.db2.gz KHXVYDJZXGADCV-WDEREUQCSA-N 1 2 337.342 1.430 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524593644 447935800 /nfs/dbraw/zinc/93/58/00/447935800.db2.gz KHXVYDJZXGADCV-WDEREUQCSA-N 1 2 337.342 1.430 20 30 EDEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000491228698 447966845 /nfs/dbraw/zinc/96/68/45/447966845.db2.gz BPUDRAGWCZIZLM-AWEZNQCLSA-N 1 2 348.516 1.869 20 30 EDEDLO C=CCOC[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC ZINC000497217524 447971084 /nfs/dbraw/zinc/97/10/84/447971084.db2.gz CNQXSOIWHKJRDI-AWEZNQCLSA-N 1 2 342.436 1.720 20 30 EDEDLO C#CCN(CC#N)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000491656426 448074728 /nfs/dbraw/zinc/07/47/28/448074728.db2.gz SLBWZLCSEZRCTG-UHFFFAOYSA-N 1 2 345.472 1.772 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000555482756 448077782 /nfs/dbraw/zinc/07/77/82/448077782.db2.gz JURRMJKDDJMWOS-WMZOPIPTSA-N 1 2 331.416 1.818 20 30 EDEDLO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000496974894 448087059 /nfs/dbraw/zinc/08/70/59/448087059.db2.gz PCJXTZWVZJEENQ-MLGOLLRUSA-N 1 2 326.441 1.449 20 30 EDEDLO C#CCN1C(=O)C[C@@H]([N@@H+]2Cc3ccc(OC)cc3OC(C)(C)C2)C1=O ZINC000491628612 448068146 /nfs/dbraw/zinc/06/81/46/448068146.db2.gz NMEGDYULICNDLQ-OAHLLOKOSA-N 1 2 342.395 1.429 20 30 EDEDLO C#CCN1C(=O)C[C@@H]([N@H+]2Cc3ccc(OC)cc3OC(C)(C)C2)C1=O ZINC000491628612 448068149 /nfs/dbraw/zinc/06/81/49/448068149.db2.gz NMEGDYULICNDLQ-OAHLLOKOSA-N 1 2 342.395 1.429 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576759196 448134326 /nfs/dbraw/zinc/13/43/26/448134326.db2.gz UXJAJGYJPRSEPK-XJKSGUPXSA-N 1 2 330.388 1.761 20 30 EDEDLO CN1CCN(c2cc(NCc3ccc(C#N)s3)[nH+]cn2)CC1=O ZINC000576813302 448144805 /nfs/dbraw/zinc/14/48/05/448144805.db2.gz FHUVWQALAUPSFZ-UHFFFAOYSA-N 1 2 328.401 1.300 20 30 EDEDLO CN1CCN(c2cc(NCc3ccc(C#N)s3)nc[nH+]2)CC1=O ZINC000576813302 448144808 /nfs/dbraw/zinc/14/48/08/448144808.db2.gz FHUVWQALAUPSFZ-UHFFFAOYSA-N 1 2 328.401 1.300 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H]2CCOc3ccccc32)C1=O ZINC000531956060 448174943 /nfs/dbraw/zinc/17/49/43/448174943.db2.gz RQOSNIKFXFBERP-CVEARBPZSA-N 1 2 343.427 1.345 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H]2CCOc3ccccc32)C1=O ZINC000531956060 448174950 /nfs/dbraw/zinc/17/49/50/448174950.db2.gz RQOSNIKFXFBERP-CVEARBPZSA-N 1 2 343.427 1.345 20 30 EDEDLO COC(=O)c1cccc(C[NH+]2CCN(c3cnccc3C#N)CC2)n1 ZINC000577256975 448248704 /nfs/dbraw/zinc/24/87/04/448248704.db2.gz BOHCAFWCCOFERY-UHFFFAOYSA-N 1 2 337.383 1.457 20 30 EDEDLO Cn1ncc(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1C#N ZINC000591080521 448256109 /nfs/dbraw/zinc/25/61/09/448256109.db2.gz MSLDPIOLRFEXIF-UHFFFAOYSA-N 1 2 334.383 1.986 20 30 EDEDLO N#Cc1ccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)nc1N ZINC000563728232 448312307 /nfs/dbraw/zinc/31/23/07/448312307.db2.gz BSQIJDHASZAZFX-CYBMUJFWSA-N 1 2 329.429 2.082 20 30 EDEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(CC3(C#N)CCC3)CC2)C1 ZINC000582706812 448315196 /nfs/dbraw/zinc/31/51/96/448315196.db2.gz ULPIMYVOGSHDEQ-IAGOWNOFSA-N 1 2 332.492 1.802 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000584333631 448485873 /nfs/dbraw/zinc/48/58/73/448485873.db2.gz USSMSHZXARZJDA-IMJJTQAJSA-N 1 2 346.431 1.449 20 30 EDEDLO COC(=O)c1ccc(NCCCCN2CC[NH+](C)CC2)c(C#N)n1 ZINC000572900095 448493252 /nfs/dbraw/zinc/49/32/52/448493252.db2.gz VMGLVFWBJVTTEG-UHFFFAOYSA-N 1 2 331.420 1.179 20 30 EDEDLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000528534554 448573824 /nfs/dbraw/zinc/57/38/24/448573824.db2.gz CDIZHKFILLDWGD-UHFFFAOYSA-N 1 2 339.417 1.027 20 30 EDEDLO COCCC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000528580987 448593738 /nfs/dbraw/zinc/59/37/38/448593738.db2.gz JSDYUBXWWXQJGK-UHFFFAOYSA-N 1 2 337.445 1.475 20 30 EDEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nnn1-c1cccc(C)c1 ZINC000573495451 448641044 /nfs/dbraw/zinc/64/10/44/448641044.db2.gz NIOKKIXHVQKZAY-KRWDZBQOSA-N 1 2 326.404 1.458 20 30 EDEDLO N#CC1(CS(=O)(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000578845332 448648324 /nfs/dbraw/zinc/64/83/24/448648324.db2.gz SHMQCGIJFZXLEK-GASCZTMLSA-N 1 2 341.477 1.243 20 30 EDEDLO N#CC1(CS(=O)(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000578845332 448648328 /nfs/dbraw/zinc/64/83/28/448648328.db2.gz SHMQCGIJFZXLEK-GASCZTMLSA-N 1 2 341.477 1.243 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528776070 448670703 /nfs/dbraw/zinc/67/07/03/448670703.db2.gz VJCXGGLGHBUAMY-KNCOVGOOSA-N 1 2 341.477 1.081 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528776070 448670708 /nfs/dbraw/zinc/67/07/08/448670708.db2.gz VJCXGGLGHBUAMY-KNCOVGOOSA-N 1 2 341.477 1.081 20 30 EDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2cnn(C(C)C)c2n1 ZINC000518650148 448696178 /nfs/dbraw/zinc/69/61/78/448696178.db2.gz UJXKLNPGWYWDMH-QGZVFWFLSA-N 1 2 328.420 1.894 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000573729373 448698525 /nfs/dbraw/zinc/69/85/25/448698525.db2.gz FWPVGNVHVNPMFB-CRAIPNDOSA-N 1 2 344.415 1.378 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000592136734 448701580 /nfs/dbraw/zinc/70/15/80/448701580.db2.gz OFOOVLXYQIPKOB-QGZVFWFLSA-N 1 2 331.441 1.382 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000592136734 448701589 /nfs/dbraw/zinc/70/15/89/448701589.db2.gz OFOOVLXYQIPKOB-QGZVFWFLSA-N 1 2 331.441 1.382 20 30 EDEDLO Cn1c(C[N@@H+]2CC[C@](O)(CC#N)C2)nnc1-c1ccc(Cl)cc1 ZINC000592150251 448711969 /nfs/dbraw/zinc/71/19/69/448711969.db2.gz BOOKLLIGQMSGDU-MRXNPFEDSA-N 1 2 331.807 1.986 20 30 EDEDLO Cn1c(C[N@H+]2CC[C@](O)(CC#N)C2)nnc1-c1ccc(Cl)cc1 ZINC000592150251 448711970 /nfs/dbraw/zinc/71/19/70/448711970.db2.gz BOOKLLIGQMSGDU-MRXNPFEDSA-N 1 2 331.807 1.986 20 30 EDEDLO Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2CC[C@@](O)(CC#N)C2)C1=O ZINC000592152194 448713038 /nfs/dbraw/zinc/71/30/38/448713038.db2.gz VQIAEEFZFAKXEB-AEFFLSMTSA-N 1 2 331.391 1.980 20 30 EDEDLO Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CC[C@@](O)(CC#N)C2)C1=O ZINC000592152194 448713042 /nfs/dbraw/zinc/71/30/42/448713042.db2.gz VQIAEEFZFAKXEB-AEFFLSMTSA-N 1 2 331.391 1.980 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000546708000 448844304 /nfs/dbraw/zinc/84/43/04/448844304.db2.gz RAHLOIATOJYWGM-CHWSQXEVSA-N 1 2 332.404 1.798 20 30 EDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000519828307 448854635 /nfs/dbraw/zinc/85/46/35/448854635.db2.gz UHUKVKPVDKRSTP-AWEZNQCLSA-N 1 2 337.401 1.866 20 30 EDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000519828307 448854641 /nfs/dbraw/zinc/85/46/41/448854641.db2.gz UHUKVKPVDKRSTP-AWEZNQCLSA-N 1 2 337.401 1.866 20 30 EDEDLO Cc1nc(NCc2cccc(C(=O)N[C@@]3(C#N)CCOC3)c2)cc[nH+]1 ZINC000547489758 448888772 /nfs/dbraw/zinc/88/87/72/448888772.db2.gz QRNFAHBRJSAPPR-GOSISDBHSA-N 1 2 337.383 1.810 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580523168 448950020 /nfs/dbraw/zinc/95/00/20/448950020.db2.gz PMOGBCBTIIENHX-KURKYZTESA-N 1 2 345.443 1.530 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580523168 448950028 /nfs/dbraw/zinc/95/00/28/448950028.db2.gz PMOGBCBTIIENHX-KURKYZTESA-N 1 2 345.443 1.530 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000581320527 448972131 /nfs/dbraw/zinc/97/21/31/448972131.db2.gz GYLOAZYKYHITRT-OAHLLOKOSA-N 1 2 325.453 1.028 20 30 EDEDLO Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000575069133 449028677 /nfs/dbraw/zinc/02/86/77/449028677.db2.gz OTOAXCPKUCYGDH-MRXNPFEDSA-N 1 2 342.443 1.400 20 30 EDEDLO C=CCn1cc(CNC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)nn1 ZINC000581893962 448988599 /nfs/dbraw/zinc/98/85/99/448988599.db2.gz FIAKQZLLUPEVCA-LLVKDONJSA-N 1 2 342.325 1.550 20 30 EDEDLO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595613402 449080964 /nfs/dbraw/zinc/08/09/64/449080964.db2.gz CMXHMIDIHASICZ-CQSZACIVSA-N 1 2 337.431 2.053 20 30 EDEDLO Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595613402 449080967 /nfs/dbraw/zinc/08/09/67/449080967.db2.gz CMXHMIDIHASICZ-CQSZACIVSA-N 1 2 337.431 2.053 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CC(=O)NCC#N)Cc2ccccc21 ZINC000595616599 449081934 /nfs/dbraw/zinc/08/19/34/449081934.db2.gz NBBJZMBYKPJHTI-HNNXBMFYSA-N 1 2 329.400 1.567 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CC(=O)NCC#N)Cc2ccccc21 ZINC000595616599 449081938 /nfs/dbraw/zinc/08/19/38/449081938.db2.gz NBBJZMBYKPJHTI-HNNXBMFYSA-N 1 2 329.400 1.567 20 30 EDEDLO C=CC[N@H+](C[C@@H]1CCC(=O)N1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000593024744 449105806 /nfs/dbraw/zinc/10/58/06/449105806.db2.gz LPYOKWHJJMJPLB-DLBZAZTESA-N 1 2 330.428 1.927 20 30 EDEDLO C=CC[N@@H+](C[C@@H]1CCC(=O)N1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000593024744 449105810 /nfs/dbraw/zinc/10/58/10/449105810.db2.gz LPYOKWHJJMJPLB-DLBZAZTESA-N 1 2 330.428 1.927 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@H](C)CO1 ZINC000593063654 449120442 /nfs/dbraw/zinc/12/04/42/449120442.db2.gz UHNSJSAFNXUUHF-ZACQAIPSSA-N 1 2 336.480 1.178 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@H](C)CO1 ZINC000593063654 449120445 /nfs/dbraw/zinc/12/04/45/449120445.db2.gz UHNSJSAFNXUUHF-ZACQAIPSSA-N 1 2 336.480 1.178 20 30 EDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1N1CCNC1=O ZINC000593154296 449153735 /nfs/dbraw/zinc/15/37/35/449153735.db2.gz FZJNTDMCGIVZSC-KRWDZBQOSA-N 1 2 329.404 1.098 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@@H]1COCCO1 ZINC000595735943 449138700 /nfs/dbraw/zinc/13/87/00/449138700.db2.gz JLAUTMORVZGMPD-NWDGAFQWSA-N 1 2 349.456 1.783 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@@H]1COCCO1 ZINC000595735943 449138704 /nfs/dbraw/zinc/13/87/04/449138704.db2.gz JLAUTMORVZGMPD-NWDGAFQWSA-N 1 2 349.456 1.783 20 30 EDEDLO C[C@]1(C#N)CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000595834179 449197628 /nfs/dbraw/zinc/19/76/28/449197628.db2.gz HKTHTWQXYCCBNS-QGZVFWFLSA-N 1 2 332.473 1.628 20 30 EDEDLO C[C@@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)c1[nH+]ccn1C ZINC000595845899 449204417 /nfs/dbraw/zinc/20/44/17/449204417.db2.gz VPVNJXIHHBSDIM-CYBMUJFWSA-N 1 2 339.403 1.280 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000598000770 449186996 /nfs/dbraw/zinc/18/69/96/449186996.db2.gz ZYRDWENNXKIWHP-KGLIPLIRSA-N 1 2 345.418 1.954 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000598000770 449187003 /nfs/dbraw/zinc/18/70/03/449187003.db2.gz ZYRDWENNXKIWHP-KGLIPLIRSA-N 1 2 345.418 1.954 20 30 EDEDLO CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601863863 449193667 /nfs/dbraw/zinc/19/36/67/449193667.db2.gz CYAHMKSFQGDLQJ-XQLPTFJDSA-N 1 2 332.452 1.818 20 30 EDEDLO CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601863863 449193670 /nfs/dbraw/zinc/19/36/70/449193670.db2.gz CYAHMKSFQGDLQJ-XQLPTFJDSA-N 1 2 332.452 1.818 20 30 EDEDLO N#C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCSC1 ZINC000590627733 449227264 /nfs/dbraw/zinc/22/72/64/449227264.db2.gz QDRZVNLBDZUPNL-OAHLLOKOSA-N 1 2 343.368 1.910 20 30 EDEDLO Cc1nnc(C[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)s1 ZINC000595886676 449233673 /nfs/dbraw/zinc/23/36/73/449233673.db2.gz YBFCUYYKDRPJTC-AWEZNQCLSA-N 1 2 332.429 1.784 20 30 EDEDLO Cc1nnc(C[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)s1 ZINC000595886676 449233674 /nfs/dbraw/zinc/23/36/74/449233674.db2.gz YBFCUYYKDRPJTC-AWEZNQCLSA-N 1 2 332.429 1.784 20 30 EDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611225581 449225142 /nfs/dbraw/zinc/22/51/42/449225142.db2.gz GYAVQUAOTLOGFK-NVXWUHKLSA-N 1 2 331.416 1.093 20 30 EDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611225581 449225157 /nfs/dbraw/zinc/22/51/57/449225157.db2.gz GYAVQUAOTLOGFK-NVXWUHKLSA-N 1 2 331.416 1.093 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000593469329 449299446 /nfs/dbraw/zinc/29/94/46/449299446.db2.gz VDCKSVWMAOQLAL-JKSUJKDBSA-N 1 2 339.399 1.638 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)nn1 ZINC000593973650 449309599 /nfs/dbraw/zinc/30/95/99/449309599.db2.gz PDQSKVNRTZTPHU-CQSZACIVSA-N 1 2 345.407 1.069 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)nn1 ZINC000593973650 449309605 /nfs/dbraw/zinc/30/96/05/449309605.db2.gz PDQSKVNRTZTPHU-CQSZACIVSA-N 1 2 345.407 1.069 20 30 EDEDLO N#CCCN1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000611516828 449318702 /nfs/dbraw/zinc/31/87/02/449318702.db2.gz MLRNNIMXLWUTLF-GOSISDBHSA-N 1 2 337.427 1.585 20 30 EDEDLO N#Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)nc1 ZINC000602097228 449343273 /nfs/dbraw/zinc/34/32/73/449343273.db2.gz RPRJIRDXCYIHBD-HUUCEWRRSA-N 1 2 336.399 1.565 20 30 EDEDLO N#Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)nc1 ZINC000602097228 449343278 /nfs/dbraw/zinc/34/32/78/449343278.db2.gz RPRJIRDXCYIHBD-HUUCEWRRSA-N 1 2 336.399 1.565 20 30 EDEDLO COc1cc(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C#N ZINC000590941681 449352063 /nfs/dbraw/zinc/35/20/63/449352063.db2.gz MMXZXQLZWNVASY-IYBDPMFKSA-N 1 2 344.415 1.229 20 30 EDEDLO COc1cc(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C#N ZINC000590941681 449352067 /nfs/dbraw/zinc/35/20/67/449352067.db2.gz MMXZXQLZWNVASY-IYBDPMFKSA-N 1 2 344.415 1.229 20 30 EDEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000600420740 449365193 /nfs/dbraw/zinc/36/51/93/449365193.db2.gz KWRNCVNUQSZDFX-INIZCTEOSA-N 1 2 331.416 1.554 20 30 EDEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000600420740 449365198 /nfs/dbraw/zinc/36/51/98/449365198.db2.gz KWRNCVNUQSZDFX-INIZCTEOSA-N 1 2 331.416 1.554 20 30 EDEDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)N(C)Cc1ccc(C#N)cc1)CC2 ZINC000590977129 449365688 /nfs/dbraw/zinc/36/56/88/449365688.db2.gz MWOCDDVFECLRNB-UHFFFAOYSA-N 1 2 337.383 1.064 20 30 EDEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000600420083 449365718 /nfs/dbraw/zinc/36/57/18/449365718.db2.gz ILWOEFWHQBUHHX-JTQLQIEISA-N 1 2 328.199 1.925 20 30 EDEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000600420083 449365721 /nfs/dbraw/zinc/36/57/21/449365721.db2.gz ILWOEFWHQBUHHX-JTQLQIEISA-N 1 2 328.199 1.925 20 30 EDEDLO CCc1c[nH]c(CC(=O)N2CCN(c3ccsc3C#N)CC2)[nH+]1 ZINC000602180615 449411656 /nfs/dbraw/zinc/41/16/56/449411656.db2.gz YAGGUYHEOYQEIU-UHFFFAOYSA-N 1 2 329.429 1.797 20 30 EDEDLO Cc1nc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n(-c2ccc(C#N)cc2)n1 ZINC000598685596 449542958 /nfs/dbraw/zinc/54/29/58/449542958.db2.gz PAQMPRWCLPYSRO-AWEZNQCLSA-N 1 2 347.382 1.267 20 30 EDEDLO C[C@H](C(=O)N1CCc2c(CC#N)cccc2C1)[NH+]1CCN(C)CC1 ZINC000600782456 449546148 /nfs/dbraw/zinc/54/61/48/449546148.db2.gz LLPLUCYGYHDVAQ-OAHLLOKOSA-N 1 2 326.444 1.273 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCc3cc(C#N)ccc32)[C@H](C)CO1 ZINC000596580408 449560632 /nfs/dbraw/zinc/56/06/32/449560632.db2.gz IBVJDMWFEOMTFZ-LBTNJELSSA-N 1 2 342.443 1.954 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCc3cc(C#N)ccc32)[C@H](C)CO1 ZINC000596580408 449560635 /nfs/dbraw/zinc/56/06/35/449560635.db2.gz IBVJDMWFEOMTFZ-LBTNJELSSA-N 1 2 342.443 1.954 20 30 EDEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000612162577 449594278 /nfs/dbraw/zinc/59/42/78/449594278.db2.gz PARKKRLINDTGQR-SFHVURJKSA-N 1 2 344.415 1.190 20 30 EDEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000612162577 449594282 /nfs/dbraw/zinc/59/42/82/449594282.db2.gz PARKKRLINDTGQR-SFHVURJKSA-N 1 2 344.415 1.190 20 30 EDEDLO Cc1cn2ccc(NC(=O)C(=O)N(CCC#N)CC3CC3)cc2[nH+]1 ZINC000595009260 449839723 /nfs/dbraw/zinc/83/97/23/449839723.db2.gz GOCJJATZEIEGPF-UHFFFAOYSA-N 1 2 325.372 1.734 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1=O ZINC000594897680 449799664 /nfs/dbraw/zinc/79/96/64/449799664.db2.gz PNOCPJRBVVFUQD-OIISXLGYSA-N 1 2 327.428 1.988 20 30 EDEDLO C[C@H](C#N)C[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC000597081606 449801967 /nfs/dbraw/zinc/80/19/67/449801967.db2.gz CBGRPCNSWQIGBR-GFCCVEGCSA-N 1 2 337.383 1.466 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccc(F)cc2)C[C@@H](C)N1CC#N ZINC000602857061 449865429 /nfs/dbraw/zinc/86/54/29/449865429.db2.gz OJJAFDCRYDPCBK-HUUCEWRRSA-N 1 2 332.423 1.702 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)N2CCc3sccc3C2)C[C@H](C)N1CC#N ZINC000602856927 449865445 /nfs/dbraw/zinc/86/54/45/449865445.db2.gz MWKYNBAHMIKIAP-KBPBESRZSA-N 1 2 332.473 1.551 20 30 EDEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602864864 449872983 /nfs/dbraw/zinc/87/29/83/449872983.db2.gz QXZKCNSKCORUIM-OKZBNKHCSA-N 1 2 342.487 1.960 20 30 EDEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602864864 449872991 /nfs/dbraw/zinc/87/29/91/449872991.db2.gz QXZKCNSKCORUIM-OKZBNKHCSA-N 1 2 342.487 1.960 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000599304889 449877529 /nfs/dbraw/zinc/87/75/29/449877529.db2.gz SMPPKSHSLGCMDK-FRRDWIJNSA-N 1 2 336.354 1.709 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H](C(F)(F)F)O1 ZINC000599304889 449877536 /nfs/dbraw/zinc/87/75/36/449877536.db2.gz SMPPKSHSLGCMDK-FRRDWIJNSA-N 1 2 336.354 1.709 20 30 EDEDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)cn1 ZINC000602941342 449943129 /nfs/dbraw/zinc/94/31/29/449943129.db2.gz JNFXDQVKKIMWOG-INIZCTEOSA-N 1 2 341.390 1.825 20 30 EDEDLO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)cn1 ZINC000602941342 449943133 /nfs/dbraw/zinc/94/31/33/449943133.db2.gz JNFXDQVKKIMWOG-INIZCTEOSA-N 1 2 341.390 1.825 20 30 EDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2nnc(C)n2C)CC1 ZINC000602943966 449945184 /nfs/dbraw/zinc/94/51/84/449945184.db2.gz ROIYVRRZZWFRGL-UHFFFAOYSA-N 1 2 326.404 1.326 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@@](C)(C#N)C3)ccc2n1C ZINC000595208632 449946546 /nfs/dbraw/zinc/94/65/46/449946546.db2.gz VSCKPJUHKKRJCS-KRWDZBQOSA-N 1 2 325.372 1.582 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc2ccccc2n1CC#N ZINC000609178412 449973143 /nfs/dbraw/zinc/97/31/43/449973143.db2.gz XXVAROUHANMNHC-AWEZNQCLSA-N 1 2 326.400 1.615 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc2ccccc2n1CC#N ZINC000609178412 449973146 /nfs/dbraw/zinc/97/31/46/449973146.db2.gz XXVAROUHANMNHC-AWEZNQCLSA-N 1 2 326.400 1.615 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)cn1 ZINC000609281982 449997412 /nfs/dbraw/zinc/99/74/12/449997412.db2.gz HXRFLOZNLIKPAL-UHFFFAOYSA-N 1 2 338.415 1.319 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000603017931 450012708 /nfs/dbraw/zinc/01/27/08/450012708.db2.gz YSZYJNSCIJTZEH-CYBMUJFWSA-N 1 2 334.395 1.348 20 30 EDEDLO CN(C[C@H]1C[N@H+](C)CCO1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000601491478 450013195 /nfs/dbraw/zinc/01/31/95/450013195.db2.gz YBZQRINTSFNVIK-GFCCVEGCSA-N 1 2 343.836 1.163 20 30 EDEDLO CN(C[C@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000601491478 450013196 /nfs/dbraw/zinc/01/31/96/450013196.db2.gz YBZQRINTSFNVIK-GFCCVEGCSA-N 1 2 343.836 1.163 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3ccccc3C#N)CC2)C[C@@H](C)O1 ZINC000595301025 450014362 /nfs/dbraw/zinc/01/43/62/450014362.db2.gz HOTUWSAFQNOJIT-IAGOWNOFSA-N 1 2 328.460 1.789 20 30 EDEDLO N#CCCCS(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601513014 450034576 /nfs/dbraw/zinc/03/45/76/450034576.db2.gz FBEBFHLHZBCNSM-UHFFFAOYSA-N 1 2 340.474 1.358 20 30 EDEDLO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)ncc1C#N ZINC000603112945 450075516 /nfs/dbraw/zinc/07/55/16/450075516.db2.gz LHDVNRWQMIRJQE-ZFWWWQNUSA-N 1 2 329.404 1.589 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000613310695 450129679 /nfs/dbraw/zinc/12/96/79/450129679.db2.gz BUOGYLVZUKQLIL-UHFFFAOYSA-N 1 2 339.355 1.053 20 30 EDEDLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000613391028 450162745 /nfs/dbraw/zinc/16/27/45/450162745.db2.gz ILVQAWNTPUMWOE-DOTOQJQBSA-N 1 2 332.400 1.520 20 30 EDEDLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000613391028 450162750 /nfs/dbraw/zinc/16/27/50/450162750.db2.gz ILVQAWNTPUMWOE-DOTOQJQBSA-N 1 2 332.400 1.520 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(c3sccc3C#N)C2=O)nn1 ZINC000603192408 450130742 /nfs/dbraw/zinc/13/07/42/450130742.db2.gz IOJIJSYODLPSAN-AWEZNQCLSA-N 1 2 340.412 1.302 20 30 EDEDLO N#CCCCC(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601644690 450137062 /nfs/dbraw/zinc/13/70/62/450137062.db2.gz HUIPUJSLFWBNBL-UHFFFAOYSA-N 1 2 333.457 1.561 20 30 EDEDLO C[N@H+](Cc1n[nH]c(=O)o1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595545942 450221015 /nfs/dbraw/zinc/22/10/15/450221015.db2.gz BLCKLVNUFSXJAS-CYBMUJFWSA-N 1 2 327.344 1.274 20 30 EDEDLO C[N@@H+](Cc1n[nH]c(=O)o1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595545942 450221019 /nfs/dbraw/zinc/22/10/19/450221019.db2.gz BLCKLVNUFSXJAS-CYBMUJFWSA-N 1 2 327.344 1.274 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3cnccc3C#N)CC2)C[C@@H](C)O1 ZINC000595501935 450190668 /nfs/dbraw/zinc/19/06/68/450190668.db2.gz OBWQLDNBXGPYDE-HZPDHXFCSA-N 1 2 329.448 1.184 20 30 EDEDLO C[C@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000610340416 450196411 /nfs/dbraw/zinc/19/64/11/450196411.db2.gz UDSBCQDKTXGRJW-ZDUSSCGKSA-N 1 2 333.395 1.923 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614724 450273777 /nfs/dbraw/zinc/27/37/77/450273777.db2.gz MPTYEIMTWFNFFQ-MCIONIFRSA-N 1 2 349.456 1.304 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614724 450273781 /nfs/dbraw/zinc/27/37/81/450273781.db2.gz MPTYEIMTWFNFFQ-MCIONIFRSA-N 1 2 349.456 1.304 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cnc(C3CC3)o2)c1=O ZINC000603421853 450294113 /nfs/dbraw/zinc/29/41/13/450294113.db2.gz FVAQQPHUPYWCLZ-UHFFFAOYSA-N 1 2 340.383 1.466 20 30 EDEDLO CC#CCCCC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619941998 450379875 /nfs/dbraw/zinc/37/98/75/450379875.db2.gz ADAJZLXLMPGEKZ-FQEVSTJZSA-N 1 2 344.455 1.560 20 30 EDEDLO CC#CCCCC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619941998 450379880 /nfs/dbraw/zinc/37/98/80/450379880.db2.gz ADAJZLXLMPGEKZ-FQEVSTJZSA-N 1 2 344.455 1.560 20 30 EDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CCN(CC#N)CC1 ZINC000619435430 450472878 /nfs/dbraw/zinc/47/28/78/450472878.db2.gz ITNMDKSIWYSGGJ-UHFFFAOYSA-N 1 2 347.369 1.727 20 30 EDEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000626073998 450568690 /nfs/dbraw/zinc/56/86/90/450568690.db2.gz IGBCNIOMBAQXNJ-OAHLLOKOSA-N 1 2 326.444 1.976 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000626073998 450568693 /nfs/dbraw/zinc/56/86/93/450568693.db2.gz IGBCNIOMBAQXNJ-OAHLLOKOSA-N 1 2 326.444 1.976 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000628825642 451432800 /nfs/dbraw/zinc/43/28/00/451432800.db2.gz ZQNDHUJJZRMRIE-HNNXBMFYSA-N 1 2 347.463 1.907 20 30 EDEDLO C=CCN(C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)C1CC1 ZINC000637532317 451929958 /nfs/dbraw/zinc/92/99/58/451929958.db2.gz VDMWTOCFBNDMIF-KRWDZBQOSA-N 1 2 330.432 1.642 20 30 EDEDLO C=CCN(C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)C1CC1 ZINC000637532317 451929964 /nfs/dbraw/zinc/92/99/64/451929964.db2.gz VDMWTOCFBNDMIF-KRWDZBQOSA-N 1 2 330.432 1.642 20 30 EDEDLO C=C(C)[C@@H](CO)[N@@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000649343417 452024546 /nfs/dbraw/zinc/02/45/46/452024546.db2.gz PTVBHUOWWDDBMH-OAHLLOKOSA-N 1 2 333.392 1.048 20 30 EDEDLO C=C(C)[C@@H](CO)[N@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000649343417 452024550 /nfs/dbraw/zinc/02/45/50/452024550.db2.gz PTVBHUOWWDDBMH-OAHLLOKOSA-N 1 2 333.392 1.048 20 30 EDEDLO C=CCCn1cc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)nn1 ZINC000653799330 452121789 /nfs/dbraw/zinc/12/17/89/452121789.db2.gz VYGHBISWHRFKBQ-UHFFFAOYSA-N 1 2 328.420 1.996 20 30 EDEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637942203 452190661 /nfs/dbraw/zinc/19/06/61/452190661.db2.gz SCKMOZHPXJJNRO-CQSZACIVSA-N 1 2 331.416 1.030 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000649761112 452237455 /nfs/dbraw/zinc/23/74/55/452237455.db2.gz LWWUFQAXPAPCER-ZIAGYGMSSA-N 1 2 336.457 1.985 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000649761112 452237460 /nfs/dbraw/zinc/23/74/60/452237460.db2.gz LWWUFQAXPAPCER-ZIAGYGMSSA-N 1 2 336.457 1.985 20 30 EDEDLO Cc1nnc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)n1C ZINC000639976315 452307715 /nfs/dbraw/zinc/30/77/15/452307715.db2.gz AOBKTYSXAOEGPF-UHFFFAOYSA-N 1 2 329.835 1.951 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000645331429 452309924 /nfs/dbraw/zinc/30/99/24/452309924.db2.gz CNNJLWXHPAHWDT-IRXDYDNUSA-N 1 2 340.427 1.777 20 30 EDEDLO C=CCN(C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H](C)COC ZINC000663590677 452317934 /nfs/dbraw/zinc/31/79/34/452317934.db2.gz KAQKPZWYRSRMFQ-HNNXBMFYSA-N 1 2 348.447 1.651 20 30 EDEDLO N#CCCN1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000640140143 452461399 /nfs/dbraw/zinc/46/13/99/452461399.db2.gz ZVZLZMFFISSGBU-UHFFFAOYSA-N 1 2 329.400 1.562 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657923759 452615630 /nfs/dbraw/zinc/61/56/30/452615630.db2.gz IBGGNDZHVZSUEJ-BBRMVZONSA-N 1 2 342.399 1.679 20 30 EDEDLO C=CCCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000658386658 452904436 /nfs/dbraw/zinc/90/44/36/452904436.db2.gz VNBLWMBFEFHEDK-UHFFFAOYSA-N 1 2 344.459 1.455 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000658522215 453075468 /nfs/dbraw/zinc/07/54/68/453075468.db2.gz MWQSRRZXCHFRLO-CQSZACIVSA-N 1 2 330.432 1.930 20 30 EDEDLO C=C[C@@](C)(O)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000667363581 453577466 /nfs/dbraw/zinc/57/74/66/453577466.db2.gz HZRDVTOAYMMIHW-QGZVFWFLSA-N 1 2 348.834 1.569 20 30 EDEDLO C=CC[N@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@H](C)COC ZINC000661242247 453772158 /nfs/dbraw/zinc/77/21/58/453772158.db2.gz LXPRVGVTCAJYRU-GFCCVEGCSA-N 1 2 348.382 1.263 20 30 EDEDLO C=CC[N@@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)[C@H](C)COC ZINC000661242247 453772163 /nfs/dbraw/zinc/77/21/63/453772163.db2.gz LXPRVGVTCAJYRU-GFCCVEGCSA-N 1 2 348.382 1.263 20 30 EDEDLO C=C(C)[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000677476396 487094662 /nfs/dbraw/zinc/09/46/62/487094662.db2.gz OSZZRKAJPMWHGK-MRXNPFEDSA-N 1 2 338.473 1.547 20 30 EDEDLO COc1ccc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1C#N ZINC000610991424 485901895 /nfs/dbraw/zinc/90/18/95/485901895.db2.gz MBZPLVIHDLTXTC-UHFFFAOYSA-N 1 2 328.416 1.900 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)s1 ZINC000133194381 534779950 /nfs/dbraw/zinc/77/99/50/534779950.db2.gz LTQBSDZQHIEEIE-UHFFFAOYSA-N 1 2 327.413 1.436 20 30 EDEDLO C#CC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000165182551 526953163 /nfs/dbraw/zinc/95/31/63/526953163.db2.gz WORRVSNYIIXIJS-UHFFFAOYSA-N 1 2 336.233 1.638 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000103494398 527027030 /nfs/dbraw/zinc/02/70/30/527027030.db2.gz UGOLUHCWSMWUME-KBPBESRZSA-N 1 2 335.398 1.781 20 30 EDEDLO CCC(CC)(NC(=O)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1)C(N)=O ZINC000353220497 534999526 /nfs/dbraw/zinc/99/95/26/534999526.db2.gz PLOXZQDNOCVUJW-UHFFFAOYSA-N 1 2 346.406 1.289 20 30 EDEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000084168382 535429813 /nfs/dbraw/zinc/42/98/13/535429813.db2.gz IMPKVHBRDHFOSU-UHFFFAOYSA-N 1 2 348.472 1.636 20 30 EDEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000084168382 535429818 /nfs/dbraw/zinc/42/98/18/535429818.db2.gz IMPKVHBRDHFOSU-UHFFFAOYSA-N 1 2 348.472 1.636 20 30 EDEDLO CN(C(=O)COC(=O)CCc1ccc(N)[nH+]c1)C1(C#N)CCCCC1 ZINC000759812431 580015931 /nfs/dbraw/zinc/01/59/31/580015931.db2.gz YQMMLVRPCKGALW-UHFFFAOYSA-N 1 2 344.415 1.824 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000729926756 578602087 /nfs/dbraw/zinc/60/20/87/578602087.db2.gz NSLVBJUUGVOOPX-KBPBESRZSA-N 1 2 333.436 1.010 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000730280683 578639101 /nfs/dbraw/zinc/63/91/01/578639101.db2.gz XWXDAVYSRILVKW-KRWDZBQOSA-N 1 2 325.412 1.180 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000730280683 578639102 /nfs/dbraw/zinc/63/91/02/578639102.db2.gz XWXDAVYSRILVKW-KRWDZBQOSA-N 1 2 325.412 1.180 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1 ZINC000732066964 578689144 /nfs/dbraw/zinc/68/91/44/578689144.db2.gz LQNMNGOYJQOKQQ-SFHVURJKSA-N 1 2 348.406 1.792 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1 ZINC000732066964 578689145 /nfs/dbraw/zinc/68/91/45/578689145.db2.gz LQNMNGOYJQOKQQ-SFHVURJKSA-N 1 2 348.406 1.792 20 30 EDEDLO C[N@H+](CC(=O)NCCC#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732207270 578697556 /nfs/dbraw/zinc/69/75/56/578697556.db2.gz OOWZTIWVJOBJRZ-AWEZNQCLSA-N 1 2 334.807 1.407 20 30 EDEDLO C[N@@H+](CC(=O)NCCC#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732207270 578697557 /nfs/dbraw/zinc/69/75/57/578697557.db2.gz OOWZTIWVJOBJRZ-AWEZNQCLSA-N 1 2 334.807 1.407 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732815575 578731708 /nfs/dbraw/zinc/73/17/08/578731708.db2.gz XPRBDCPHKDITKD-CHWSQXEVSA-N 1 2 347.381 1.671 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732815575 578731709 /nfs/dbraw/zinc/73/17/09/578731709.db2.gz XPRBDCPHKDITKD-CHWSQXEVSA-N 1 2 347.381 1.671 20 30 EDEDLO CC(=NNC(=S)NC1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735610690 578904595 /nfs/dbraw/zinc/90/45/95/578904595.db2.gz SWMPZTQTQOXNJI-MRXNPFEDSA-N 1 2 332.473 1.890 20 30 EDEDLO CC(=NNC(=S)NC1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735610690 578904597 /nfs/dbraw/zinc/90/45/97/578904597.db2.gz SWMPZTQTQOXNJI-MRXNPFEDSA-N 1 2 332.473 1.890 20 30 EDEDLO Cc1noc([C@@H](C)ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000736299929 578975185 /nfs/dbraw/zinc/97/51/85/578975185.db2.gz VTYYVWGGVQGVAA-GFCCVEGCSA-N 1 2 345.403 1.608 20 30 EDEDLO C#CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000761192689 580050895 /nfs/dbraw/zinc/05/08/95/580050895.db2.gz YXTOWAWBTLPYTB-ZDUSSCGKSA-N 1 2 343.832 1.677 20 30 EDEDLO C#CC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000761192689 580050896 /nfs/dbraw/zinc/05/08/96/580050896.db2.gz YXTOWAWBTLPYTB-ZDUSSCGKSA-N 1 2 343.832 1.677 20 30 EDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000739915329 579267474 /nfs/dbraw/zinc/26/74/74/579267474.db2.gz YLRLJFQJARDKPB-UHFFFAOYSA-N 1 2 348.491 1.719 20 30 EDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000739915329 579267475 /nfs/dbraw/zinc/26/74/75/579267475.db2.gz YLRLJFQJARDKPB-UHFFFAOYSA-N 1 2 348.491 1.719 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2OC)CC1 ZINC000744245182 579505085 /nfs/dbraw/zinc/50/50/85/579505085.db2.gz QVLPCQNUBQFCSF-UHFFFAOYSA-N 1 2 342.848 1.678 20 30 EDEDLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000745097859 579538694 /nfs/dbraw/zinc/53/86/94/579538694.db2.gz MDGSWALPJNQSEV-HOCLYGCPSA-N 1 2 331.416 1.983 20 30 EDEDLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000745097859 579538695 /nfs/dbraw/zinc/53/86/95/579538695.db2.gz MDGSWALPJNQSEV-HOCLYGCPSA-N 1 2 331.416 1.983 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000747968496 579664904 /nfs/dbraw/zinc/66/49/04/579664904.db2.gz KWJRVRBIRZPPCN-INIZCTEOSA-N 1 2 344.459 1.826 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000747968496 579664905 /nfs/dbraw/zinc/66/49/05/579664905.db2.gz KWJRVRBIRZPPCN-INIZCTEOSA-N 1 2 344.459 1.826 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)CN(C)c3ccccc32)CC1 ZINC000748825988 579702709 /nfs/dbraw/zinc/70/27/09/579702709.db2.gz YOHDTXHJHQQOAN-KRWDZBQOSA-N 1 2 340.471 1.356 20 30 EDEDLO N#CCC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccccn1 ZINC000749844603 579742113 /nfs/dbraw/zinc/74/21/13/579742113.db2.gz LTWGIAXWTYXZPS-UHFFFAOYSA-N 1 2 344.440 1.687 20 30 EDEDLO N#CCC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccccn1 ZINC000749844603 579742114 /nfs/dbraw/zinc/74/21/14/579742114.db2.gz LTWGIAXWTYXZPS-UHFFFAOYSA-N 1 2 344.440 1.687 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000751441656 579807040 /nfs/dbraw/zinc/80/70/40/579807040.db2.gz FSLBOYXZYUTPAG-YVEFUNNKSA-N 1 2 332.404 1.583 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000755619148 579931089 /nfs/dbraw/zinc/93/10/89/579931089.db2.gz IYOPDRQNDMPYQG-CABCVRRESA-N 1 2 347.365 1.284 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000755619148 579931090 /nfs/dbraw/zinc/93/10/90/579931090.db2.gz IYOPDRQNDMPYQG-CABCVRRESA-N 1 2 347.365 1.284 20 30 EDEDLO C(=NNC1CCOCC1)c1ccc(C=[NH+]NC2CCOCC2)cc1 ZINC000757590238 579968558 /nfs/dbraw/zinc/96/85/58/579968558.db2.gz KWNZPMLFGCYPBF-UHFFFAOYSA-N 1 2 330.432 1.892 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000758245502 579978250 /nfs/dbraw/zinc/97/82/50/579978250.db2.gz HLSNDISGQBJPHN-CMJOXMDJSA-N 1 2 345.509 1.480 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC000766039931 580157262 /nfs/dbraw/zinc/15/72/62/580157262.db2.gz ZHJFWIDIQICAJI-UHFFFAOYSA-N 1 2 343.452 1.807 20 30 EDEDLO CCCNC(=O)[C@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766618193 580170432 /nfs/dbraw/zinc/17/04/32/580170432.db2.gz FAFWKKXPWILEDH-HNNXBMFYSA-N 1 2 342.443 1.404 20 30 EDEDLO CCCNC(=O)[C@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766618193 580170433 /nfs/dbraw/zinc/17/04/33/580170433.db2.gz FAFWKKXPWILEDH-HNNXBMFYSA-N 1 2 342.443 1.404 20 30 EDEDLO N#CCCNC(=O)C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000771465888 580287377 /nfs/dbraw/zinc/28/73/77/580287377.db2.gz XNMIMGWVPRISKJ-UHFFFAOYSA-N 1 2 327.384 1.577 20 30 EDEDLO N#CCCNC(=O)C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000771465888 580287378 /nfs/dbraw/zinc/28/73/78/580287378.db2.gz XNMIMGWVPRISKJ-UHFFFAOYSA-N 1 2 327.384 1.577 20 30 EDEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 ZINC000771640726 580291093 /nfs/dbraw/zinc/29/10/93/580291093.db2.gz RDMNKWTXPZLKAB-QGZVFWFLSA-N 1 2 344.371 1.970 20 30 EDEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C1CC1 ZINC000771640726 580291094 /nfs/dbraw/zinc/29/10/94/580291094.db2.gz RDMNKWTXPZLKAB-QGZVFWFLSA-N 1 2 344.371 1.970 20 30 EDEDLO c1cn(-c2ccc(N=NCc3ncc(C4OCCO4)s3)nn2)c[nH+]1 ZINC000773071884 580326384 /nfs/dbraw/zinc/32/63/84/580326384.db2.gz DSXIKPPZKUANDE-UHFFFAOYSA-N 1 2 343.372 1.610 20 30 EDEDLO C#C[C@@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@H]1CCCO1 ZINC000773348764 580334982 /nfs/dbraw/zinc/33/49/82/580334982.db2.gz BEASLKBQINTECR-HZPDHXFCSA-N 1 2 326.400 1.665 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000773977812 580350831 /nfs/dbraw/zinc/35/08/31/580350831.db2.gz PKYSYDHMESZYDH-ZFWWWQNUSA-N 1 2 347.440 1.780 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000773977812 580350832 /nfs/dbraw/zinc/35/08/32/580350832.db2.gz PKYSYDHMESZYDH-ZFWWWQNUSA-N 1 2 347.440 1.780 20 30 EDEDLO Cc1nc(NC(=O)c2cccc3[nH+]ccn32)n(-c2ccc(C#N)cc2)n1 ZINC000776937290 580431479 /nfs/dbraw/zinc/43/14/79/580431479.db2.gz CNSGLRFOXLDLIH-UHFFFAOYSA-N 1 2 343.350 1.769 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000780891379 580536760 /nfs/dbraw/zinc/53/67/60/580536760.db2.gz SKKVQHDDTVXWEY-SFHVURJKSA-N 1 2 336.395 1.772 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000782055250 580565083 /nfs/dbraw/zinc/56/50/83/580565083.db2.gz PGLHUQXTENWUAL-HOCLYGCPSA-N 1 2 349.456 1.031 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000782055250 580565084 /nfs/dbraw/zinc/56/50/84/580565084.db2.gz PGLHUQXTENWUAL-HOCLYGCPSA-N 1 2 349.456 1.031 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2)OC(C)(C)CC3)CC1 ZINC000782344738 580572415 /nfs/dbraw/zinc/57/24/15/580572415.db2.gz TUCKMWHCJUVGRU-UHFFFAOYSA-N 1 2 342.439 1.946 20 30 EDEDLO C#CCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000784552861 580623800 /nfs/dbraw/zinc/62/38/00/580623800.db2.gz XSISKFVRXAIVHK-OAHLLOKOSA-N 1 2 330.363 1.598 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)c(N(C)C)[nH+]1 ZINC000785187502 580637582 /nfs/dbraw/zinc/63/75/82/580637582.db2.gz XDUJDHBYEQQPHE-NSHDSACASA-N 1 2 329.404 1.545 20 30 EDEDLO C=CCCC[C@H](C)OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785662704 580649439 /nfs/dbraw/zinc/64/94/39/580649439.db2.gz ZMFCXNDEZJVCAM-HOTGVXAUSA-N 1 2 338.448 1.455 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(OCC(C)C)cc2)CC1 ZINC000788790622 580730091 /nfs/dbraw/zinc/73/00/91/580730091.db2.gz VJPCAMICNYACIL-UHFFFAOYSA-N 1 2 330.428 1.878 20 30 EDEDLO C[C@H](C#N)OCC[N@@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000792896644 580830473 /nfs/dbraw/zinc/83/04/73/580830473.db2.gz SHWAXQMGAJTLNG-CYBMUJFWSA-N 1 2 337.445 1.224 20 30 EDEDLO C[C@H](C#N)OCC[N@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000792896644 580830474 /nfs/dbraw/zinc/83/04/74/580830474.db2.gz SHWAXQMGAJTLNG-CYBMUJFWSA-N 1 2 337.445 1.224 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3C[C@H](C(F)F)CC3=O)C2)nc1 ZINC000793593590 580848578 /nfs/dbraw/zinc/84/85/78/580848578.db2.gz VTXBKPQOGBEJQA-OLZOCXBDSA-N 1 2 336.342 1.477 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3C[C@H](C(F)F)CC3=O)C2)nc1 ZINC000793593590 580848579 /nfs/dbraw/zinc/84/85/79/580848579.db2.gz VTXBKPQOGBEJQA-OLZOCXBDSA-N 1 2 336.342 1.477 20 30 EDEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H]1COC(=O)c1ccnc(C#N)c1 ZINC000796743686 580961065 /nfs/dbraw/zinc/96/10/65/580961065.db2.gz MUTBGKSAGRAKMJ-HNNXBMFYSA-N 1 2 345.399 1.916 20 30 EDEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H]1COC(=O)c1ccnc(C#N)c1 ZINC000796743686 580961066 /nfs/dbraw/zinc/96/10/66/580961066.db2.gz MUTBGKSAGRAKMJ-HNNXBMFYSA-N 1 2 345.399 1.916 20 30 EDEDLO C=CCN1CC[C@H](N(C)c2[nH+]cnc3c2cnn3C(C)(C)C)C1=O ZINC000798405360 580996493 /nfs/dbraw/zinc/99/64/93/580996493.db2.gz VYTUJLWKPCRQTN-ZDUSSCGKSA-N 1 2 328.420 1.804 20 30 EDEDLO C#CCC[C@H](O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000798418498 580996835 /nfs/dbraw/zinc/99/68/35/580996835.db2.gz DRWYZQYVBFQUEL-HNNXBMFYSA-N 1 2 326.356 1.968 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@@H](c3ccccn3)CC2=O)C1=O ZINC000799142674 581018663 /nfs/dbraw/zinc/01/86/63/581018663.db2.gz ZIBXWICOXBNELC-HOCLYGCPSA-N 1 2 328.416 1.074 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@@H](c3ccccn3)CC2=O)C1=O ZINC000799142674 581018664 /nfs/dbraw/zinc/01/86/64/581018664.db2.gz ZIBXWICOXBNELC-HOCLYGCPSA-N 1 2 328.416 1.074 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccnc2Cl)C1=O ZINC000799176257 581021305 /nfs/dbraw/zinc/02/13/05/581021305.db2.gz KSRLWAJHHIDFBX-AAEUAGOBSA-N 1 2 336.823 1.781 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccnc2Cl)C1=O ZINC000799176257 581021306 /nfs/dbraw/zinc/02/13/06/581021306.db2.gz KSRLWAJHHIDFBX-AAEUAGOBSA-N 1 2 336.823 1.781 20 30 EDEDLO C[C@H]1C[N@H+](CCOC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000800223092 581048099 /nfs/dbraw/zinc/04/80/99/581048099.db2.gz QDSKVQBFNZQVJN-YOEHRIQHSA-N 1 2 327.384 1.504 20 30 EDEDLO C[C@H]1C[N@@H+](CCOC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000800223092 581048100 /nfs/dbraw/zinc/04/81/00/581048100.db2.gz QDSKVQBFNZQVJN-YOEHRIQHSA-N 1 2 327.384 1.504 20 30 EDEDLO Cc1ccc(OCC(=O)N2CC[NH+](CCO[C@@H](C)C#N)CC2)cc1 ZINC000801914743 581087771 /nfs/dbraw/zinc/08/77/71/581087771.db2.gz GBEBFRZVUXAJHX-INIZCTEOSA-N 1 2 331.416 1.447 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000801932667 581088462 /nfs/dbraw/zinc/08/84/62/581088462.db2.gz UCHHCGMLVMKGMG-ZACQAIPSSA-N 1 2 336.480 1.228 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)/C=C\c2ccccc2C#N)C[N@@H+]1C ZINC000893564966 590963216 /nfs/dbraw/zinc/96/32/16/590963216.db2.gz CZWRNEGEUZELSQ-MMARLYJUSA-N 1 2 328.368 1.750 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)/C=C\c2ccccc2C#N)C[N@H+]1C ZINC000893564966 590963218 /nfs/dbraw/zinc/96/32/18/590963218.db2.gz CZWRNEGEUZELSQ-MMARLYJUSA-N 1 2 328.368 1.750 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCC)c(F)c2)C1 ZINC000891607492 591147960 /nfs/dbraw/zinc/14/79/60/591147960.db2.gz NPTSQGXNOMLMDE-AWEZNQCLSA-N 1 2 347.390 1.377 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCC)c(F)c2)C1 ZINC000891607492 591147964 /nfs/dbraw/zinc/14/79/64/591147964.db2.gz NPTSQGXNOMLMDE-AWEZNQCLSA-N 1 2 347.390 1.377 20 30 EDEDLO C[C@@]1(C#N)CN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000891706121 591193588 /nfs/dbraw/zinc/19/35/88/591193588.db2.gz ZFMAWZZMIWHUPG-MRXNPFEDSA-N 1 2 326.360 1.091 20 30 EDEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000895066211 591560224 /nfs/dbraw/zinc/56/02/24/591560224.db2.gz QFDYAXNYWZJIJZ-UHFFFAOYSA-N 1 2 337.383 1.827 20 30 EDEDLO COCCN(CC#N)C(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000909563137 591671924 /nfs/dbraw/zinc/67/19/24/591671924.db2.gz QQBBWQGBBVWNBF-UHFFFAOYSA-N 1 2 327.388 1.644 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC[C@@H]2C[C@H]2C2CC2)c1=O ZINC000902418456 591991828 /nfs/dbraw/zinc/99/18/28/591991828.db2.gz GBUGJDRMGGVSGR-AEFFLSMTSA-N 1 2 327.428 1.988 20 30 EDEDLO C=CCCC[N@@H+](CC)Cn1nc(C(=O)OC)c2c(C)onc2c1=O ZINC000902669677 592043964 /nfs/dbraw/zinc/04/39/64/592043964.db2.gz PZOUHSZZICFXRV-UHFFFAOYSA-N 1 2 334.376 1.725 20 30 EDEDLO C=CCCC[N@H+](CC)Cn1nc(C(=O)OC)c2c(C)onc2c1=O ZINC000902669677 592043968 /nfs/dbraw/zinc/04/39/68/592043968.db2.gz PZOUHSZZICFXRV-UHFFFAOYSA-N 1 2 334.376 1.725 20 30 EDEDLO Cc1cc(C#N)cc(C)c1Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000900581198 592058196 /nfs/dbraw/zinc/05/81/96/592058196.db2.gz AMXODSLRCRRSIA-UHFFFAOYSA-N 1 2 325.416 1.772 20 30 EDEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000903207297 592137911 /nfs/dbraw/zinc/13/79/11/592137911.db2.gz QLCCVVMOVMMMLO-GASCZTMLSA-N 1 2 333.457 1.955 20 30 EDEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000903207297 592137913 /nfs/dbraw/zinc/13/79/13/592137913.db2.gz QLCCVVMOVMMMLO-GASCZTMLSA-N 1 2 333.457 1.955 20 30 EDEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1CCC[C@H](C#N)C1 ZINC000908695133 592574566 /nfs/dbraw/zinc/57/45/66/592574566.db2.gz MLYFSZJKKVQNAA-KFWWJZLASA-N 1 2 330.436 1.596 20 30 EDEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1CCC[C@H](C#N)C1 ZINC000908695133 592574569 /nfs/dbraw/zinc/57/45/69/592574569.db2.gz MLYFSZJKKVQNAA-KFWWJZLASA-N 1 2 330.436 1.596 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907403365 592629648 /nfs/dbraw/zinc/62/96/48/592629648.db2.gz PPCVTWDGBBQBKW-ZDUSSCGKSA-N 1 2 331.401 1.603 20 30 EDEDLO C=CC[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(=O)OC ZINC000905756106 592637684 /nfs/dbraw/zinc/63/76/84/592637684.db2.gz PIJOXSKUPOLQTI-NVXWUHKLSA-N 1 2 345.443 1.596 20 30 EDEDLO C[C@H]([NH2+][C@@H](C)c1cn(C)nn1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000905867472 592661429 /nfs/dbraw/zinc/66/14/29/592661429.db2.gz ZCXAHXSTXSYAJL-UWVGGRQHSA-N 1 2 344.444 1.915 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@]2(C#N)CC3CCC2CC3)CCN1C ZINC000907563797 592710506 /nfs/dbraw/zinc/71/05/06/592710506.db2.gz IPXKWXCHQAQIDP-FCJNSDPXSA-N 1 2 341.459 1.955 20 30 EDEDLO C=CCC(F)(F)C(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000907583489 592721582 /nfs/dbraw/zinc/72/15/82/592721582.db2.gz SFGIPKZDNGVXGU-CQSZACIVSA-N 1 2 348.353 1.854 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2n2cc[nH+]c2)c1 ZINC000907801036 592787423 /nfs/dbraw/zinc/78/74/23/592787423.db2.gz PLSJVWHUVPIXOZ-CVEARBPZSA-N 1 2 330.413 1.968 20 30 EDEDLO Cn1cc[nH+]c1CN1CCCN(C(=O)c2ccsc2C#N)CC1 ZINC000906586152 592851365 /nfs/dbraw/zinc/85/13/65/592851365.db2.gz FTFPFECAIBOSEM-UHFFFAOYSA-N 1 2 329.429 1.701 20 30 EDEDLO C=C(Br)C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735397643 592982153 /nfs/dbraw/zinc/98/21/53/592982153.db2.gz AXHBLMYLZPFIAO-UHFFFAOYSA-N 1 2 349.236 1.897 20 30 EDEDLO CC[NH+](CC)Cc1ccc(C(O)=C(C#N)C(=O)NCCOC)cc1 ZINC000805853784 593156311 /nfs/dbraw/zinc/15/63/11/593156311.db2.gz NEWFJLPFRZTEEP-INIZCTEOSA-N 1 2 331.416 1.613 20 30 EDEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000807283551 593160546 /nfs/dbraw/zinc/16/05/46/593160546.db2.gz BOOLMBZNINLYPC-JKSUJKDBSA-N 1 2 340.383 1.628 20 30 EDEDLO C=CCN1CCN(C[NH+]2CCN(c3ccccc3OC)CC2)C1=O ZINC000839950074 593219067 /nfs/dbraw/zinc/21/90/67/593219067.db2.gz ODSWEDWRSQUSKG-UHFFFAOYSA-N 1 2 330.432 1.698 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nnn(Cc2ccccc2F)c1C ZINC000802147357 593224169 /nfs/dbraw/zinc/22/41/69/593224169.db2.gz FJSOWWOLZLVPKZ-INIZCTEOSA-N 1 2 341.390 1.810 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nnn(Cc2ccccc2F)c1C ZINC000802147357 593224170 /nfs/dbraw/zinc/22/41/70/593224170.db2.gz FJSOWWOLZLVPKZ-INIZCTEOSA-N 1 2 341.390 1.810 20 30 EDEDLO C#CC[C@H](NCc1c[nH+]c2ccc(Br)cn12)C(=O)OC ZINC000839166025 593269732 /nfs/dbraw/zinc/26/97/32/593269732.db2.gz IFRLSMTYGAHFTO-LBPRGKRZSA-N 1 2 336.189 1.751 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@@H]1CCCO1 ZINC000839564737 593339226 /nfs/dbraw/zinc/33/92/26/593339226.db2.gz SQLQLNXKRBYVNR-CVEARBPZSA-N 1 2 349.394 1.792 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C(=O)[C@]3(CCCO3)[C@H]2C(C)C)C1=O ZINC000840063612 593452597 /nfs/dbraw/zinc/45/25/97/593452597.db2.gz LDNMFTQDESMDHH-DAYGRLMNSA-N 1 2 335.448 1.079 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C(=O)[C@]3(CCCO3)[C@H]2C(C)C)C1=O ZINC000840063612 593452599 /nfs/dbraw/zinc/45/25/99/593452599.db2.gz LDNMFTQDESMDHH-DAYGRLMNSA-N 1 2 335.448 1.079 20 30 EDEDLO N#Cc1ncccc1COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000813308825 593525385 /nfs/dbraw/zinc/52/53/85/593525385.db2.gz KPHNKFYADUOCCR-GOSISDBHSA-N 1 2 337.379 1.897 20 30 EDEDLO N#Cc1ncccc1COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000813308825 593525387 /nfs/dbraw/zinc/52/53/87/593525387.db2.gz KPHNKFYADUOCCR-GOSISDBHSA-N 1 2 337.379 1.897 20 30 EDEDLO Cc1ccc(N2C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC2=O)cc1 ZINC000813376577 593529972 /nfs/dbraw/zinc/52/99/72/593529972.db2.gz QJNUOLWXPMQFBP-KSSFIOAISA-N 1 2 328.416 1.308 20 30 EDEDLO CC1CC(N=Nc2ncccc2S(=O)(=O)N2CC[NH+](C)CC2)C1 ZINC000814851659 593605042 /nfs/dbraw/zinc/60/50/42/593605042.db2.gz XIJQZSUKYOTCKE-UHFFFAOYSA-N 1 2 337.449 1.216 20 30 EDEDLO CCn1nc(C)c(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000819381549 593752765 /nfs/dbraw/zinc/75/27/65/593752765.db2.gz YOJUOPHTTRMMLM-UHFFFAOYSA-N 1 2 333.417 1.042 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)o2)c1 ZINC000823861344 593874370 /nfs/dbraw/zinc/87/43/70/593874370.db2.gz FFXMPRZSRRIHSJ-UHFFFAOYSA-N 1 2 336.355 1.512 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(-c3nn[nH]n3)o2)c1 ZINC000823861344 593874371 /nfs/dbraw/zinc/87/43/71/593874371.db2.gz FFXMPRZSRRIHSJ-UHFFFAOYSA-N 1 2 336.355 1.512 20 30 EDEDLO C#Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1 ZINC000821010268 593944824 /nfs/dbraw/zinc/94/48/24/593944824.db2.gz SSUOVKFPRWFSQL-MSOLQXFVSA-N 1 2 328.412 1.164 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000822234205 594015845 /nfs/dbraw/zinc/01/58/45/594015845.db2.gz IUGAAZITZPCSGY-HNNXBMFYSA-N 1 2 344.411 1.140 20 30 EDEDLO C=CCN(CC(=O)OCC)C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000821329588 594019049 /nfs/dbraw/zinc/01/90/49/594019049.db2.gz IOVODSLVWYIIDS-QGZVFWFLSA-N 1 2 346.427 1.847 20 30 EDEDLO C=CCN(CC(=O)OCC)C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000821329588 594019050 /nfs/dbraw/zinc/01/90/50/594019050.db2.gz IOVODSLVWYIIDS-QGZVFWFLSA-N 1 2 346.427 1.847 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000825339566 594169919 /nfs/dbraw/zinc/16/99/19/594169919.db2.gz ARNAQENBTKYBJE-UHFFFAOYSA-N 1 2 327.388 1.731 20 30 EDEDLO COc1cccc([C@H](C#N)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1OC ZINC000826142756 594344158 /nfs/dbraw/zinc/34/41/58/594344158.db2.gz JZNRFYMBCPSGQP-MCIONIFRSA-N 1 2 340.383 1.922 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831472603 594637357 /nfs/dbraw/zinc/63/73/57/594637357.db2.gz FZGDHIQTUAPTBO-HNNXBMFYSA-N 1 2 332.423 1.932 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000831687211 594692542 /nfs/dbraw/zinc/69/25/42/594692542.db2.gz KZFFSIJFKPEYLH-UHFFFAOYSA-N 1 2 341.411 1.350 20 30 EDEDLO COCC[N@H+](CC(=O)NCCC#N)Cc1ccc(F)c(Cl)c1 ZINC000832530030 594756688 /nfs/dbraw/zinc/75/66/88/594756688.db2.gz VIXJASFNEPZKFZ-UHFFFAOYSA-N 1 2 327.787 1.957 20 30 EDEDLO COCC[N@@H+](CC(=O)NCCC#N)Cc1ccc(F)c(Cl)c1 ZINC000832530030 594756689 /nfs/dbraw/zinc/75/66/89/594756689.db2.gz VIXJASFNEPZKFZ-UHFFFAOYSA-N 1 2 327.787 1.957 20 30 EDEDLO CN(CC1CCCCC1)C(=O)CON=C(N)C[NH+]1CCSCC1 ZINC000121509972 594914714 /nfs/dbraw/zinc/91/47/14/594914714.db2.gz DSPUEWJWVCQHCF-UHFFFAOYSA-N 1 2 342.509 1.363 20 30 EDEDLO Cn1c(N=NCC(C)(C)[NH+]2CCOCC2)nnc1-c1ccccc1 ZINC000841619705 594929677 /nfs/dbraw/zinc/92/96/77/594929677.db2.gz QBPSWRUQHLQWQD-UHFFFAOYSA-N 1 2 328.420 1.991 20 30 EDEDLO NC(C[NH+]1CCSCC1)=NOCC(=O)Nc1cc(F)ccc1F ZINC000121461598 594991476 /nfs/dbraw/zinc/99/14/76/594991476.db2.gz BNBADERCYPOLLW-UHFFFAOYSA-N 1 2 344.387 1.241 20 30 EDEDLO C=C[C@H](C)ONC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000845639343 595036859 /nfs/dbraw/zinc/03/68/59/595036859.db2.gz AONFEIBYXBIFQZ-HNNXBMFYSA-N 1 2 349.431 1.703 20 30 EDEDLO C#CC[C@H]1NC(=O)N(Cc2ccc(N3CCCCCC3)[nH+]c2)C1=O ZINC000842237032 595048724 /nfs/dbraw/zinc/04/87/24/595048724.db2.gz SQGPLALAKVMTAT-OAHLLOKOSA-N 1 2 326.400 1.906 20 30 EDEDLO COc1cc(C[NH+]2CCN(C(=O)C#CC3CC3)CC2)cc(OC)c1 ZINC000837451745 595114067 /nfs/dbraw/zinc/11/40/67/595114067.db2.gz NIPGPLBWQPJDFF-UHFFFAOYSA-N 1 2 328.412 1.761 20 30 EDEDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)COc1cccc(C#N)c1 ZINC000842963069 595244766 /nfs/dbraw/zinc/24/47/66/595244766.db2.gz JKLVVRUFYQRDKL-PBHICJAKSA-N 1 2 348.399 1.216 20 30 EDEDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)COc1cccc(C#N)c1 ZINC000842963069 595244768 /nfs/dbraw/zinc/24/47/68/595244768.db2.gz JKLVVRUFYQRDKL-PBHICJAKSA-N 1 2 348.399 1.216 20 30 EDEDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)Cc1ccccc1CC#N ZINC000842982094 595255117 /nfs/dbraw/zinc/25/51/17/595255117.db2.gz ZVGQGASEZMKJCE-QAPCUYQASA-N 1 2 346.427 1.574 20 30 EDEDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)Cc1ccccc1CC#N ZINC000842982094 595255119 /nfs/dbraw/zinc/25/51/19/595255119.db2.gz ZVGQGASEZMKJCE-QAPCUYQASA-N 1 2 346.427 1.574 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000847024749 595351835 /nfs/dbraw/zinc/35/18/35/595351835.db2.gz SEPMPPIWEHNRRE-QGZVFWFLSA-N 1 2 326.444 1.466 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000847024749 595351839 /nfs/dbraw/zinc/35/18/39/595351839.db2.gz SEPMPPIWEHNRRE-QGZVFWFLSA-N 1 2 326.444 1.466 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C1 ZINC000847032492 595354374 /nfs/dbraw/zinc/35/43/74/595354374.db2.gz UEQIQAUFGREFPZ-NSHDSACASA-N 1 2 327.413 1.488 20 30 EDEDLO C#C[C@H]1CCC[N@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C1 ZINC000847032492 595354376 /nfs/dbraw/zinc/35/43/76/595354376.db2.gz UEQIQAUFGREFPZ-NSHDSACASA-N 1 2 327.413 1.488 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)C1 ZINC000848494342 595396300 /nfs/dbraw/zinc/39/63/00/595396300.db2.gz WFGGRDPFIKDLRZ-OAHLLOKOSA-N 1 2 343.427 1.970 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)C1 ZINC000848494342 595396303 /nfs/dbraw/zinc/39/63/03/595396303.db2.gz WFGGRDPFIKDLRZ-OAHLLOKOSA-N 1 2 343.427 1.970 20 30 EDEDLO C[NH+](C)[C@@H](C(=O)OCCn1ncc(C#N)c1N)c1ccc(Cl)cc1 ZINC000847640216 595461102 /nfs/dbraw/zinc/46/11/02/595461102.db2.gz FMIAOAVRLNVRHH-CQSZACIVSA-N 1 2 347.806 1.836 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCCc2nc(-c3cccs3)no2)CC1 ZINC000112920360 595568244 /nfs/dbraw/zinc/56/82/44/595568244.db2.gz ZLELKLZKICCJAN-UHFFFAOYSA-N 1 2 344.440 1.898 20 30 EDEDLO O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000852884386 595597384 /nfs/dbraw/zinc/59/73/84/595597384.db2.gz WYWZLRXQVXYQQV-HNNXBMFYSA-N 1 2 327.432 1.391 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885334 595642221 /nfs/dbraw/zinc/64/22/21/595642221.db2.gz RNACMENAZTVEIT-GXTWGEPZSA-N 1 2 347.419 1.511 20 30 EDEDLO Cc1ccc(O[C@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)nc1 ZINC000858033684 595687384 /nfs/dbraw/zinc/68/73/84/595687384.db2.gz VKDMKFFZPHKMCI-YJBOKZPZSA-N 1 2 328.416 1.652 20 30 EDEDLO Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)nc1 ZINC000858033684 595687387 /nfs/dbraw/zinc/68/73/87/595687387.db2.gz VKDMKFFZPHKMCI-YJBOKZPZSA-N 1 2 328.416 1.652 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000858123722 595704939 /nfs/dbraw/zinc/70/49/39/595704939.db2.gz ILIKVPJXDBJJEZ-ROUUACIJSA-N 1 2 345.443 1.397 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000858128542 595707585 /nfs/dbraw/zinc/70/75/85/595707585.db2.gz SDZCUJRQWBSLPN-MRXNPFEDSA-N 1 2 330.432 1.909 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000858128555 595707965 /nfs/dbraw/zinc/70/79/65/595707965.db2.gz SSHBZJAQIQSGQA-MRXNPFEDSA-N 1 2 346.431 1.146 20 30 EDEDLO Fc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)c(F)c1F ZINC000853263633 595722787 /nfs/dbraw/zinc/72/27/87/595722787.db2.gz USLQTJQPTIDWGJ-UHFFFAOYSA-N 1 2 346.378 1.234 20 30 EDEDLO CC(C)(C)n1ncc2c1nc(NN=Cc1c[nH+]c3n1CCC3)[nH]c2=O ZINC000853306022 595732024 /nfs/dbraw/zinc/73/20/24/595732024.db2.gz HTHKTGPREPVPFX-UHFFFAOYSA-N 1 2 340.391 1.876 20 30 EDEDLO C#CC[C@H](COC)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000858272471 595749066 /nfs/dbraw/zinc/74/90/66/595749066.db2.gz FQQPDRYPILZZRF-QGZVFWFLSA-N 1 2 340.427 1.963 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC(OCCC(=O)NC)CC1 ZINC000853413307 595749636 /nfs/dbraw/zinc/74/96/36/595749636.db2.gz RZKYIBAOHPDLAH-UHFFFAOYSA-N 1 2 345.443 1.995 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000853469476 595760089 /nfs/dbraw/zinc/76/00/89/595760089.db2.gz QHEIHDWWHQMLRJ-AWEZNQCLSA-N 1 2 337.445 1.344 20 30 EDEDLO C=CCS(=O)(=O)CCNc1nc(C)[nH+]c(C)c1Br ZINC000853475778 595762112 /nfs/dbraw/zinc/76/21/12/595762112.db2.gz WEUNRQUKHAJSLL-UHFFFAOYSA-N 1 2 334.239 1.869 20 30 EDEDLO C#C[C@@H](NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)[C@@H]1CCCO1 ZINC000858370921 595777578 /nfs/dbraw/zinc/77/75/78/595777578.db2.gz TZFCBVDOQOUWTF-CABCVRRESA-N 1 2 345.447 1.800 20 30 EDEDLO C=CCC(C)(C)COC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000860785980 595795170 /nfs/dbraw/zinc/79/51/70/595795170.db2.gz PWQIMPQZHKRWOZ-GJZGRUSLSA-N 1 2 349.431 1.854 20 30 EDEDLO C#CCC[N@@H+](CCOC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853620893 595835217 /nfs/dbraw/zinc/83/52/17/595835217.db2.gz IROJPGTXCHNMLD-UHFFFAOYSA-N 1 2 329.360 1.783 20 30 EDEDLO C#CCC[N@H+](CCOC)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853620893 595835219 /nfs/dbraw/zinc/83/52/19/595835219.db2.gz IROJPGTXCHNMLD-UHFFFAOYSA-N 1 2 329.360 1.783 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000858604017 595840177 /nfs/dbraw/zinc/84/01/77/595840177.db2.gz ZBGOKAOQCNQVQG-INIZCTEOSA-N 1 2 330.432 1.909 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000853740009 595867792 /nfs/dbraw/zinc/86/77/92/595867792.db2.gz RMFSRVSBLIXNMT-HZPDHXFCSA-N 1 2 345.443 1.607 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000853740009 595867795 /nfs/dbraw/zinc/86/77/95/595867795.db2.gz RMFSRVSBLIXNMT-HZPDHXFCSA-N 1 2 345.443 1.607 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000853740008 595867898 /nfs/dbraw/zinc/86/78/98/595867898.db2.gz RMFSRVSBLIXNMT-HOTGVXAUSA-N 1 2 345.443 1.607 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000853740008 595867901 /nfs/dbraw/zinc/86/79/01/595867901.db2.gz RMFSRVSBLIXNMT-HOTGVXAUSA-N 1 2 345.443 1.607 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000859159228 595991224 /nfs/dbraw/zinc/99/12/24/595991224.db2.gz MGFKKQLYVLBVFF-UHFFFAOYSA-N 1 2 349.394 1.284 20 30 EDEDLO CCCCCCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000859333368 596053980 /nfs/dbraw/zinc/05/39/80/596053980.db2.gz MESCXUQCJACCCD-INIZCTEOSA-N 1 2 339.480 1.396 20 30 EDEDLO CCCCCCCNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000859349200 596059173 /nfs/dbraw/zinc/05/91/73/596059173.db2.gz SHSSYEJRSNDJNQ-UHFFFAOYSA-N 1 2 347.463 1.520 20 30 EDEDLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)C1 ZINC000852333808 596128852 /nfs/dbraw/zinc/12/88/52/596128852.db2.gz VWAVGZLFBLMQHK-RDJZCZTQSA-N 1 2 348.472 1.220 20 30 EDEDLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)C1 ZINC000852333808 596128855 /nfs/dbraw/zinc/12/88/55/596128855.db2.gz VWAVGZLFBLMQHK-RDJZCZTQSA-N 1 2 348.472 1.220 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(C)n(-c3ccn(C)n3)c2C)CC1 ZINC000857049999 596149409 /nfs/dbraw/zinc/14/94/09/596149409.db2.gz BICWNGKYSVFZIH-UHFFFAOYSA-N 1 2 325.416 1.219 20 30 EDEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859960026 596234248 /nfs/dbraw/zinc/23/42/48/596234248.db2.gz GVQJMPJSXZCPFY-TUAOUCFPSA-N 1 2 342.424 1.668 20 30 EDEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859960026 596234250 /nfs/dbraw/zinc/23/42/50/596234250.db2.gz GVQJMPJSXZCPFY-TUAOUCFPSA-N 1 2 342.424 1.668 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000869097192 596407476 /nfs/dbraw/zinc/40/74/76/596407476.db2.gz VNMZAWMBDJLOKR-ROUUACIJSA-N 1 2 347.459 1.432 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000869097192 596407478 /nfs/dbraw/zinc/40/74/78/596407478.db2.gz VNMZAWMBDJLOKR-ROUUACIJSA-N 1 2 347.459 1.432 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000869105604 596411270 /nfs/dbraw/zinc/41/12/70/596411270.db2.gz WEPOLQICRXXUHT-AEFFLSMTSA-N 1 2 339.443 1.555 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000869105604 596411274 /nfs/dbraw/zinc/41/12/74/596411274.db2.gz WEPOLQICRXXUHT-AEFFLSMTSA-N 1 2 339.443 1.555 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000869190120 596440336 /nfs/dbraw/zinc/44/03/36/596440336.db2.gz YLUIBMFHXYXLIN-DOTOQJQBSA-N 1 2 335.411 1.958 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000119280884 596509309 /nfs/dbraw/zinc/50/93/09/596509309.db2.gz XMFVPMMAZBZQPI-UHFFFAOYSA-N 1 2 340.345 1.948 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1=O ZINC000865330634 596542079 /nfs/dbraw/zinc/54/20/79/596542079.db2.gz FWBAOHJVIGAJRN-SJORKVTESA-N 1 2 341.411 1.140 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1=O ZINC000865330634 596542081 /nfs/dbraw/zinc/54/20/81/596542081.db2.gz FWBAOHJVIGAJRN-SJORKVTESA-N 1 2 341.411 1.140 20 30 EDEDLO N#Cc1ccc([C@@H](O)C(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)cc1 ZINC000871419174 596576133 /nfs/dbraw/zinc/57/61/33/596576133.db2.gz AMTUCMMNLBSEPZ-QZTJIDSGSA-N 1 2 348.406 1.998 20 30 EDEDLO C=CCn1c(C)nnc1S(=O)(=O)Cc1[nH+]ccn1CC(F)F ZINC000871632151 596657232 /nfs/dbraw/zinc/65/72/32/596657232.db2.gz RMPRLYKVIVQJHO-UHFFFAOYSA-N 1 2 331.348 1.208 20 30 EDEDLO N#CCc1ccnc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000871721093 596677566 /nfs/dbraw/zinc/67/75/66/596677566.db2.gz SBPYKJHLMCWPFB-UHFFFAOYSA-N 1 2 336.399 1.892 20 30 EDEDLO C#CC[C@H](COC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000863797429 596689650 /nfs/dbraw/zinc/68/96/50/596689650.db2.gz MQBLQWHRQPUTAP-CYBMUJFWSA-N 1 2 328.328 1.549 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCN[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000871938067 596751167 /nfs/dbraw/zinc/75/11/67/596751167.db2.gz MFDQGUSBIAKCDV-IAGOWNOFSA-N 1 2 331.416 1.473 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCN[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000871938067 596751170 /nfs/dbraw/zinc/75/11/70/596751170.db2.gz MFDQGUSBIAKCDV-IAGOWNOFSA-N 1 2 331.416 1.473 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 ZINC000866030094 596765019 /nfs/dbraw/zinc/76/50/19/596765019.db2.gz TYUVSEKIVRFQKF-DEOSSOPVSA-N 1 2 344.440 1.176 20 30 EDEDLO N#Cc1c(Cl)nsc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000866120979 596796210 /nfs/dbraw/zinc/79/62/10/596796210.db2.gz KFECMUUAKFJQKR-UHFFFAOYSA-N 1 2 334.836 1.823 20 30 EDEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)cc1 ZINC000866144961 596802863 /nfs/dbraw/zinc/80/28/63/596802863.db2.gz DBPKYYAGJWDZKM-SFHVURJKSA-N 1 2 338.411 1.826 20 30 EDEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)cc1 ZINC000866144961 596802865 /nfs/dbraw/zinc/80/28/65/596802865.db2.gz DBPKYYAGJWDZKM-SFHVURJKSA-N 1 2 338.411 1.826 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000121057957 596885477 /nfs/dbraw/zinc/88/54/77/596885477.db2.gz UZKKIACXNAUREE-UHFFFAOYSA-N 1 2 348.468 1.190 20 30 EDEDLO Cc1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(C#N)c1 ZINC000872430617 596904222 /nfs/dbraw/zinc/90/42/22/596904222.db2.gz HEAYFENOGBIBCL-UHFFFAOYSA-N 1 2 342.424 1.773 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000872645127 597007431 /nfs/dbraw/zinc/00/74/31/597007431.db2.gz SGOQLWYCXHTWEF-INIZCTEOSA-N 1 2 337.445 1.088 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000872645127 597007433 /nfs/dbraw/zinc/00/74/33/597007433.db2.gz SGOQLWYCXHTWEF-INIZCTEOSA-N 1 2 337.445 1.088 20 30 EDEDLO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000876873795 597364845 /nfs/dbraw/zinc/36/48/45/597364845.db2.gz QJLBADQXPOHJPZ-QMMMGPOBSA-N 1 2 326.809 1.825 20 30 EDEDLO C#CCCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@H]2C1 ZINC000875316583 597381291 /nfs/dbraw/zinc/38/12/91/597381291.db2.gz DIDHTOBUCULQDO-JKSUJKDBSA-N 1 2 328.416 1.614 20 30 EDEDLO CO[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H](C)C#N)Cc3ccc[nH+]c3N2C1 ZINC000875476748 597444715 /nfs/dbraw/zinc/44/47/15/597444715.db2.gz QMYNKAWFULGHAH-NWANDNLSSA-N 1 2 329.404 1.360 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(S(N)(=O)=O)c2)n1 ZINC000877485036 597523541 /nfs/dbraw/zinc/52/35/41/597523541.db2.gz VUYFYMLLFSZNDV-UHFFFAOYSA-N 1 2 332.429 1.186 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(S(N)(=O)=O)c2)n1 ZINC000877485036 597523542 /nfs/dbraw/zinc/52/35/42/597523542.db2.gz VUYFYMLLFSZNDV-UHFFFAOYSA-N 1 2 332.429 1.186 20 30 EDEDLO Cc1cc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c(C)nn1 ZINC000877883351 597561859 /nfs/dbraw/zinc/56/18/59/597561859.db2.gz MZMBETVGMWOGHF-UHFFFAOYSA-N 1 2 339.399 1.007 20 30 EDEDLO N#Cc1cc(F)ccc1N1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000879590438 597647327 /nfs/dbraw/zinc/64/73/27/597647327.db2.gz CQEJZRRJQWDHBS-MRXNPFEDSA-N 1 2 344.390 1.803 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000879610961 597656341 /nfs/dbraw/zinc/65/63/41/597656341.db2.gz NINGDZNGJSJUFH-JQHSSLGASA-N 1 2 345.443 1.366 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000879610961 597656345 /nfs/dbraw/zinc/65/63/45/597656345.db2.gz NINGDZNGJSJUFH-JQHSSLGASA-N 1 2 345.443 1.366 20 30 EDEDLO C#CCCOc1ccc(C[NH2+]Cc2nnc3c(=O)n(C)ccn23)cc1 ZINC000883333848 597718363 /nfs/dbraw/zinc/71/83/63/597718363.db2.gz FMJCTKBHINPDAX-UHFFFAOYSA-N 1 2 337.383 1.120 20 30 EDEDLO C=CCCc1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000882108320 597871306 /nfs/dbraw/zinc/87/13/06/597871306.db2.gz FYKIBEZHQDYBAJ-UHFFFAOYSA-N 1 2 338.473 1.806 20 30 EDEDLO C=CCCc1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000882108320 597871307 /nfs/dbraw/zinc/87/13/07/597871307.db2.gz FYKIBEZHQDYBAJ-UHFFFAOYSA-N 1 2 338.473 1.806 20 30 EDEDLO CO[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000880305388 597896707 /nfs/dbraw/zinc/89/67/07/597896707.db2.gz WCSHONSWWRCHND-ZDUSSCGKSA-N 1 2 332.326 1.296 20 30 EDEDLO CO[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000880305388 597896709 /nfs/dbraw/zinc/89/67/09/597896709.db2.gz WCSHONSWWRCHND-ZDUSSCGKSA-N 1 2 332.326 1.296 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879371244 597903436 /nfs/dbraw/zinc/90/34/36/597903436.db2.gz QIHDNBIYIWWVKS-CYBMUJFWSA-N 1 2 330.375 1.707 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879371244 597903438 /nfs/dbraw/zinc/90/34/38/597903438.db2.gz QIHDNBIYIWWVKS-CYBMUJFWSA-N 1 2 330.375 1.707 20 30 EDEDLO CO[C@@H]1COCC[C@H]1[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000880428199 597929913 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ZINC000993193756 695770677 /nfs/dbraw/zinc/77/06/77/695770677.db2.gz FHLKJMPGFFYIAX-DOMZBBRYSA-N 1 2 327.388 1.966 20 30 EDEDLO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)on1 ZINC000993240096 695860691 /nfs/dbraw/zinc/86/06/91/695860691.db2.gz VKAZLALLWMEAOQ-BXUZGUMPSA-N 1 2 343.387 1.666 20 30 EDEDLO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)on1 ZINC000993240096 695860693 /nfs/dbraw/zinc/86/06/93/695860693.db2.gz VKAZLALLWMEAOQ-BXUZGUMPSA-N 1 2 343.387 1.666 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)[C@@H]1C ZINC000993510112 696187298 /nfs/dbraw/zinc/18/72/98/696187298.db2.gz LFFOPLHYDPPAHJ-AAEUAGOBSA-N 1 2 329.425 1.806 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)[C@@H]1C ZINC000993510112 696187300 /nfs/dbraw/zinc/18/73/00/696187300.db2.gz LFFOPLHYDPPAHJ-AAEUAGOBSA-N 1 2 329.425 1.806 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cn[nH]n2)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993538721 696213177 /nfs/dbraw/zinc/21/31/77/696213177.db2.gz 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C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@@H]1C ZINC000993929313 696448553 /nfs/dbraw/zinc/44/85/53/696448553.db2.gz OWZZZVDHFRNWNH-QWHCGFSZSA-N 1 2 338.429 1.289 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000994188039 696569016 /nfs/dbraw/zinc/56/90/16/696569016.db2.gz AYEVPQKODDKZHW-UHFFFAOYSA-N 1 2 349.394 1.805 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnc(C)cn3)[C@H]2C)cn1 ZINC000994249983 696641864 /nfs/dbraw/zinc/64/18/64/696641864.db2.gz KCSLLCAXQKSFQR-HNAYVOBHSA-N 1 2 349.438 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnc(C)cn3)[C@H]2C)cn1 ZINC000994249983 696641865 /nfs/dbraw/zinc/64/18/65/696641865.db2.gz KCSLLCAXQKSFQR-HNAYVOBHSA-N 1 2 349.438 1.944 20 30 EDEDLO COCCCNC(=S)N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000916279520 696647120 /nfs/dbraw/zinc/64/71/20/696647120.db2.gz AOXSXBAAAKCCCZ-UHFFFAOYSA-N 1 2 333.461 1.871 20 30 EDEDLO Cc1c(C#N)c(=O)n(Cc2c[nH+]c(N(C)C)c3ccccc23)c(=O)n1C ZINC000918446929 697165369 /nfs/dbraw/zinc/16/53/69/697165369.db2.gz BCVVVQBAJDAKFH-UHFFFAOYSA-N 1 2 349.394 1.390 20 30 EDEDLO Cc1ncoc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031601256 697301172 /nfs/dbraw/zinc/30/11/72/697301172.db2.gz QFJDNTUFLCOEGY-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(C#N)ccc1F ZINC000920674189 697461576 /nfs/dbraw/zinc/46/15/76/697461576.db2.gz BYVNFHNULBGXGL-HNNXBMFYSA-N 1 2 334.395 1.607 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCC[C@H](C#N)C2)nc[nH+]1 ZINC000920835820 697484485 /nfs/dbraw/zinc/48/44/85/697484485.db2.gz NNKIODVAKMANJH-KGLIPLIRSA-N 1 2 343.435 1.432 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCC[C@H](C#N)C2)[nH+]cn1 ZINC000920835820 697484487 /nfs/dbraw/zinc/48/44/87/697484487.db2.gz NNKIODVAKMANJH-KGLIPLIRSA-N 1 2 343.435 1.432 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnn2ncccc12 ZINC001031735543 698266332 /nfs/dbraw/zinc/26/63/32/698266332.db2.gz NQVOHPNXYQJOJF-UHFFFAOYSA-N 1 2 345.406 1.443 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000939010572 699054650 /nfs/dbraw/zinc/05/46/50/699054650.db2.gz YAIHIMKIGNVLDO-LSDHHAIUSA-N 1 2 344.459 1.717 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(CCC)cc3)CC2)C1 ZINC000941541433 701570831 /nfs/dbraw/zinc/57/08/31/701570831.db2.gz ZRPXLDMPTDKHCI-UHFFFAOYSA-N 1 2 325.456 1.714 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)C2)c1 ZINC000941526965 701570957 /nfs/dbraw/zinc/57/09/57/701570957.db2.gz LKRAPUZNGGGYLZ-CYBMUJFWSA-N 1 2 348.366 1.179 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@H]([NH2+]Cc3csnn3)[C@@H](C)C2)c1 ZINC000939108292 699175761 /nfs/dbraw/zinc/17/57/61/699175761.db2.gz OLKUQOFIAUXMLN-NHYWBVRUSA-N 1 2 327.413 1.165 20 30 EDEDLO C=CCOc1ccc(C(=O)NCC2C[NH+](CC(=O)N(C)C)C2)cc1 ZINC001031778743 699178631 /nfs/dbraw/zinc/17/86/31/699178631.db2.gz WXWMTGNSLMGYTQ-UHFFFAOYSA-N 1 2 331.416 1.001 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(F)cc(F)cc3F)CC2)C1 ZINC000941537386 701574595 /nfs/dbraw/zinc/57/45/95/701574595.db2.gz JKZBZXPBPDTRBU-UHFFFAOYSA-N 1 2 337.345 1.179 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(F)c(OC)c3)CC2)C1 ZINC000941578799 701588070 /nfs/dbraw/zinc/58/80/70/701588070.db2.gz SMAUICLZEODJMZ-UHFFFAOYSA-N 1 2 345.418 1.300 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)c3ccccc3C)CC2)C1 ZINC000941592888 701586393 /nfs/dbraw/zinc/58/63/93/701586393.db2.gz LQTOCMWFNKBGTQ-GOSISDBHSA-N 1 2 339.483 1.950 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@]34CCc3ccccc34)CC2)C1 ZINC000941622271 701604478 /nfs/dbraw/zinc/60/44/78/701604478.db2.gz GEALKFIGJWPKFG-UNMCSNQZSA-N 1 2 349.478 1.352 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nc(CC)no3)[C@@H](C)C2)cn1 ZINC000939567870 699710671 /nfs/dbraw/zinc/71/06/71/699710671.db2.gz OTIBCXJZNUEHHF-WFASDCNBSA-N 1 2 339.399 1.259 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(CC)no3)C2)nc1 ZINC000939568529 699711349 /nfs/dbraw/zinc/71/13/49/699711349.db2.gz UMWGWCQMUSKMCH-SWLSCSKDSA-N 1 2 339.399 1.259 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CC(C)(C)CO3)CC2)C1 ZINC000941649628 701611271 /nfs/dbraw/zinc/61/12/71/701611271.db2.gz YEQJZNLBMSFYNI-SFHVURJKSA-N 1 2 347.503 1.433 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000941725662 701653829 /nfs/dbraw/zinc/65/38/29/701653829.db2.gz NJTFHEBWGKUNQE-SFHVURJKSA-N 1 2 332.448 1.936 20 30 EDEDLO Cc1ncc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)n1C ZINC001031923788 701086479 /nfs/dbraw/zinc/08/64/79/701086479.db2.gz RMYSYRZLOVSZLB-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO CCCC(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941279255 701441123 /nfs/dbraw/zinc/44/11/23/701441123.db2.gz LPKWRMWLPLTHCT-UHFFFAOYSA-N 1 2 326.444 1.687 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)C1 ZINC000941414229 701528961 /nfs/dbraw/zinc/52/89/61/701528961.db2.gz OTHKZEJPLREXBO-RBUKOAKNSA-N 1 2 338.455 1.037 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC2(CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC000944399499 701902145 /nfs/dbraw/zinc/90/21/45/701902145.db2.gz KQMHWAIXSMHSHE-CYBMUJFWSA-N 1 2 343.431 1.261 20 30 EDEDLO CCc1nc[nH]c1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001032158983 701978339 /nfs/dbraw/zinc/97/83/39/701978339.db2.gz CZIDEYIEUAHKDL-UHFFFAOYSA-N 1 2 340.402 1.825 20 30 EDEDLO Cc1ccnc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1 ZINC000941930178 702158841 /nfs/dbraw/zinc/15/88/41/702158841.db2.gz RCCHLDNLEUHKBH-DOMZBBRYSA-N 1 2 338.415 1.625 20 30 EDEDLO Cc1ccnc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1 ZINC000941930178 702158844 /nfs/dbraw/zinc/15/88/44/702158844.db2.gz RCCHLDNLEUHKBH-DOMZBBRYSA-N 1 2 338.415 1.625 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCN2CC(F)(F)F)C1 ZINC001032206949 702169371 /nfs/dbraw/zinc/16/93/71/702169371.db2.gz QERKDIVFFXVZHH-GFCCVEGCSA-N 1 2 339.789 1.814 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2scnc2C)C1=O ZINC001032292739 702501589 /nfs/dbraw/zinc/50/15/89/702501589.db2.gz LYMPRCIQDULPQX-MELADBBJSA-N 1 2 346.456 1.137 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2scnc2C)C1=O ZINC001032292739 702501596 /nfs/dbraw/zinc/50/15/96/702501596.db2.gz LYMPRCIQDULPQX-MELADBBJSA-N 1 2 346.456 1.137 20 30 EDEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(F)(F)F)nn1 ZINC001032671338 706675237 /nfs/dbraw/zinc/67/52/37/706675237.db2.gz NAAMHVNBXIKOGI-QWRGUYRKSA-N 1 2 329.326 1.315 20 30 EDEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(F)(F)F)nn1 ZINC001032671338 706675239 /nfs/dbraw/zinc/67/52/39/706675239.db2.gz NAAMHVNBXIKOGI-QWRGUYRKSA-N 1 2 329.326 1.315 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000996332526 702716716 /nfs/dbraw/zinc/71/67/16/702716716.db2.gz ZRNVXMRZOPXNBZ-OAHLLOKOSA-N 1 2 337.464 1.027 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000996332526 702716720 /nfs/dbraw/zinc/71/67/20/702716720.db2.gz ZRNVXMRZOPXNBZ-OAHLLOKOSA-N 1 2 337.464 1.027 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000942375006 702872168 /nfs/dbraw/zinc/87/21/68/702872168.db2.gz PYIPVHCAWWLSDE-OLZOCXBDSA-N 1 2 330.432 1.759 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000942364774 702875120 /nfs/dbraw/zinc/87/51/20/702875120.db2.gz JMYBVPAUPWRFDC-LSDHHAIUSA-N 1 2 330.432 1.908 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)C[C@H]2C)c1 ZINC000942618062 703131453 /nfs/dbraw/zinc/13/14/53/703131453.db2.gz SXQXFMIDVAFJMK-MLGOLLRUSA-N 1 2 325.372 1.086 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)C[C@H]2C)c1 ZINC000942618062 703131455 /nfs/dbraw/zinc/13/14/55/703131455.db2.gz SXQXFMIDVAFJMK-MLGOLLRUSA-N 1 2 325.372 1.086 20 30 EDEDLO Cc1c[nH]c(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001032039848 703136650 /nfs/dbraw/zinc/13/66/50/703136650.db2.gz FPINKHBBHWQTEP-UHFFFAOYSA-N 1 2 326.375 1.571 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)C[C@H]2C)c1 ZINC000942619053 703148769 /nfs/dbraw/zinc/14/87/69/703148769.db2.gz YVFXMDVTQGFAMA-WBMJQRKESA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)C[C@H]2C)c1 ZINC000942619053 703148771 /nfs/dbraw/zinc/14/87/71/703148771.db2.gz YVFXMDVTQGFAMA-WBMJQRKESA-N 1 2 339.399 1.395 20 30 EDEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCn2cc(Cl)cn2)c[nH]1 ZINC001032364663 703251146 /nfs/dbraw/zinc/25/11/46/703251146.db2.gz ONCFWJXNSILPBA-GJZGRUSLSA-N 1 2 344.806 1.335 20 30 EDEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCn2cc(Cl)cn2)c[nH]1 ZINC001032364663 703251147 /nfs/dbraw/zinc/25/11/47/703251147.db2.gz ONCFWJXNSILPBA-GJZGRUSLSA-N 1 2 344.806 1.335 20 30 EDEDLO Cc1n[nH]c(C)c1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001032056768 703455336 /nfs/dbraw/zinc/45/53/36/703455336.db2.gz RMGSWSPXUNYHLM-UHFFFAOYSA-N 1 2 340.402 1.879 20 30 EDEDLO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC001032440115 703610171 /nfs/dbraw/zinc/61/01/71/703610171.db2.gz PCQJOABELYGKOO-GJZGRUSLSA-N 1 2 325.416 1.890 20 30 EDEDLO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC001032440115 703610172 /nfs/dbraw/zinc/61/01/72/703610172.db2.gz PCQJOABELYGKOO-GJZGRUSLSA-N 1 2 325.416 1.890 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC(F)(F)F)c1 ZINC001032447807 703616685 /nfs/dbraw/zinc/61/66/85/703616685.db2.gz AAVKXDBVXWVWKF-STQMWFEESA-N 1 2 326.322 1.367 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC(F)(F)F)c1 ZINC001032447807 703616686 /nfs/dbraw/zinc/61/66/86/703616686.db2.gz AAVKXDBVXWVWKF-STQMWFEESA-N 1 2 326.322 1.367 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(OC2CCC2)c1 ZINC001032707357 706759203 /nfs/dbraw/zinc/75/92/03/706759203.db2.gz VULIQXJJBWDBEM-HOTGVXAUSA-N 1 2 325.412 1.935 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(OC2CCC2)c1 ZINC001032707357 706759205 /nfs/dbraw/zinc/75/92/05/706759205.db2.gz VULIQXJJBWDBEM-HOTGVXAUSA-N 1 2 325.412 1.935 20 30 EDEDLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)o1 ZINC000995633601 704607371 /nfs/dbraw/zinc/60/73/71/704607371.db2.gz JDFLVYKSRZCNAO-QMTHXVAHSA-N 1 2 342.403 1.779 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2ncnn2C)CC1 ZINC000997755103 704660266 /nfs/dbraw/zinc/66/02/66/704660266.db2.gz XDNGIJUFWIOXSF-IMJJTQAJSA-N 1 2 347.463 1.123 20 30 EDEDLO C[C@H](CC(=O)N1CCC2(CN(C(=O)[C@@H](C)C#N)C2)CC1)n1cc[nH+]c1 ZINC000944938245 704777220 /nfs/dbraw/zinc/77/72/20/704777220.db2.gz QOQHALWAKAWEFT-LSDHHAIUSA-N 1 2 343.431 1.445 20 30 EDEDLO Cn1c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)c[nH]c1=O ZINC001032561503 704789374 /nfs/dbraw/zinc/78/93/74/704789374.db2.gz QUMATRRNMQCUAD-HOTGVXAUSA-N 1 2 336.395 1.076 20 30 EDEDLO Cn1c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#Cc2ccccc2)c[nH]c1=O ZINC001032561503 704789377 /nfs/dbraw/zinc/78/93/77/704789377.db2.gz QUMATRRNMQCUAD-HOTGVXAUSA-N 1 2 336.395 1.076 20 30 EDEDLO CCCc1nc(C[NH2+]C2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)no1 ZINC000998653907 706087097 /nfs/dbraw/zinc/08/70/97/706087097.db2.gz HYYNCWPEZDXUMZ-UHFFFAOYSA-N 1 2 342.403 1.615 20 30 EDEDLO Cc1noc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998959055 706399533 /nfs/dbraw/zinc/39/95/33/706399533.db2.gz XERFJBFCBVDTIH-MFKMUULPSA-N 1 2 328.376 1.533 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001005054271 707212108 /nfs/dbraw/zinc/21/21/08/707212108.db2.gz HIVXPJWQBFEPTB-HOCLYGCPSA-N 1 2 346.475 1.918 20 30 EDEDLO Cc1nsc(NC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1C#N ZINC001060887373 707362275 /nfs/dbraw/zinc/36/22/75/707362275.db2.gz FUXGITYQQUDWMP-GFCCVEGCSA-N 1 2 330.417 1.480 20 30 EDEDLO C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001061631301 707416633 /nfs/dbraw/zinc/41/66/33/707416633.db2.gz RYIDERCZNGSCTC-GOEBONIOSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001061631301 707416637 /nfs/dbraw/zinc/41/66/37/707416637.db2.gz RYIDERCZNGSCTC-GOEBONIOSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nc(OC)cc(OC)n2)C1 ZINC001033193966 707430395 /nfs/dbraw/zinc/43/03/95/707430395.db2.gz KSOLBRSGUPSLGD-NSHDSACASA-N 1 2 340.811 1.393 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nc(OC)cc(OC)n2)C1 ZINC001033193966 707430397 /nfs/dbraw/zinc/43/03/97/707430397.db2.gz KSOLBRSGUPSLGD-NSHDSACASA-N 1 2 340.811 1.393 20 30 EDEDLO CN(C(=O)c1csnn1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033310961 707464978 /nfs/dbraw/zinc/46/49/78/707464978.db2.gz BKHXTDPQOFOKJV-CQSZACIVSA-N 1 2 327.413 1.756 20 30 EDEDLO CN(C(=O)c1csnn1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033310961 707464983 /nfs/dbraw/zinc/46/49/83/707464983.db2.gz BKHXTDPQOFOKJV-CQSZACIVSA-N 1 2 327.413 1.756 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nc2COC)C1 ZINC001033202189 707590601 /nfs/dbraw/zinc/59/06/01/707590601.db2.gz KGGJYAJVWRHOPG-GFCCVEGCSA-N 1 2 326.828 1.465 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nc2COC)C1 ZINC001033202189 707590603 /nfs/dbraw/zinc/59/06/03/707590603.db2.gz KGGJYAJVWRHOPG-GFCCVEGCSA-N 1 2 326.828 1.465 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001033362903 707652464 /nfs/dbraw/zinc/65/24/64/707652464.db2.gz NRUQROYFJZTULY-QWHCGFSZSA-N 1 2 337.855 1.205 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC001033362903 707652467 /nfs/dbraw/zinc/65/24/67/707652467.db2.gz NRUQROYFJZTULY-QWHCGFSZSA-N 1 2 337.855 1.205 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO[C@@H]2CC2(F)F)cn1 ZINC001032739824 707766601 /nfs/dbraw/zinc/76/66/01/707766601.db2.gz NOKYXUITXANWQR-HRCADAONSA-N 1 2 347.365 1.386 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO[C@@H]2CC2(F)F)cn1 ZINC001032739824 707766604 /nfs/dbraw/zinc/76/66/04/707766604.db2.gz NOKYXUITXANWQR-HRCADAONSA-N 1 2 347.365 1.386 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001004990567 707852142 /nfs/dbraw/zinc/85/21/42/707852142.db2.gz LQGUIEXSYBVXGS-HUUCEWRRSA-N 1 2 332.448 1.839 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001033489861 707983913 /nfs/dbraw/zinc/98/39/13/707983913.db2.gz DANGODKGDINUQN-XIRDDKMYSA-N 1 2 347.463 1.312 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001033489861 707983916 /nfs/dbraw/zinc/98/39/16/707983916.db2.gz DANGODKGDINUQN-XIRDDKMYSA-N 1 2 347.463 1.312 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033496825 707992219 /nfs/dbraw/zinc/99/22/19/707992219.db2.gz HQDGGQISPVMNMA-VYDXJSESSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033496825 707992222 /nfs/dbraw/zinc/99/22/22/707992222.db2.gz HQDGGQISPVMNMA-VYDXJSESSA-N 1 2 333.432 1.997 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCC[C@H]([NH2+][C@H](C)c3nc(C)no3)C2)nc1 ZINC001000736969 708062872 /nfs/dbraw/zinc/06/28/72/708062872.db2.gz ISSXHPRWIOZBRB-DOMZBBRYSA-N 1 2 339.399 1.710 20 30 EDEDLO C=CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001061663761 708111950 /nfs/dbraw/zinc/11/19/50/708111950.db2.gz QQHDXQHIRQNITF-OAHLLOKOSA-N 1 2 348.447 1.288 20 30 EDEDLO C=CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001061663761 708111953 /nfs/dbraw/zinc/11/19/53/708111953.db2.gz QQHDXQHIRQNITF-OAHLLOKOSA-N 1 2 348.447 1.288 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3nncn3C)CC2)cc1 ZINC001001703482 708225410 /nfs/dbraw/zinc/22/54/10/708225410.db2.gz SXZLZWPIHCTFCU-UHFFFAOYSA-N 1 2 337.427 1.438 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001033563601 708239112 /nfs/dbraw/zinc/23/91/12/708239112.db2.gz YFHAMMUWAHJXOF-GDBMZVCRSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001033563601 708239115 /nfs/dbraw/zinc/23/91/15/708239115.db2.gz YFHAMMUWAHJXOF-GDBMZVCRSA-N 1 2 327.856 1.530 20 30 EDEDLO C=CCCC(=O)N1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001061034981 708416637 /nfs/dbraw/zinc/41/66/37/708416637.db2.gz AXRGLILZAINCHB-UHFFFAOYSA-N 1 2 330.432 1.760 20 30 EDEDLO C=CCCC(=O)N1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001061034981 708416641 /nfs/dbraw/zinc/41/66/41/708416641.db2.gz AXRGLILZAINCHB-UHFFFAOYSA-N 1 2 330.432 1.760 20 30 EDEDLO Cc1noc([C@@H](C)[NH+]2CCC(N(C)C(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001005259443 708442708 /nfs/dbraw/zinc/44/27/08/708442708.db2.gz KCMMUIOSHUNZMA-LLVKDONJSA-N 1 2 342.403 1.875 20 30 EDEDLO CCN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033824385 708814264 /nfs/dbraw/zinc/81/42/64/708814264.db2.gz QBNDSKZCNHQTEZ-MRXNPFEDSA-N 1 2 338.415 1.423 20 30 EDEDLO CCN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033824385 708814267 /nfs/dbraw/zinc/81/42/67/708814267.db2.gz QBNDSKZCNHQTEZ-MRXNPFEDSA-N 1 2 338.415 1.423 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cncnc2C)CC1 ZINC001002392603 708889618 /nfs/dbraw/zinc/88/96/18/708889618.db2.gz SMOLQAIHSBYAFN-UHFFFAOYSA-N 1 2 339.237 1.888 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](N(CC)C(=O)c3ccns3)C2)C1=O ZINC001033845141 708889789 /nfs/dbraw/zinc/88/97/89/708889789.db2.gz FVDAICFMWKFEHV-ZIAGYGMSSA-N 1 2 348.472 1.466 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N(CC)C(=O)c3ccns3)C2)C1=O ZINC001033845141 708889791 /nfs/dbraw/zinc/88/97/91/708889791.db2.gz FVDAICFMWKFEHV-ZIAGYGMSSA-N 1 2 348.472 1.466 20 30 EDEDLO Cc1ccc(C#N)c(N[C@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001061093740 709010727 /nfs/dbraw/zinc/01/07/27/709010727.db2.gz BNTHSBJIPWVYTB-CVEARBPZSA-N 1 2 338.415 1.998 20 30 EDEDLO C=C(Cl)CN1CC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001038549641 709126277 /nfs/dbraw/zinc/12/62/77/709126277.db2.gz BGHSNZAYKOKTSK-CVEARBPZSA-N 1 2 341.883 1.430 20 30 EDEDLO C=C(Cl)CN1CC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001038549641 709126280 /nfs/dbraw/zinc/12/62/80/709126280.db2.gz BGHSNZAYKOKTSK-CVEARBPZSA-N 1 2 341.883 1.430 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033960030 709151052 /nfs/dbraw/zinc/15/10/52/709151052.db2.gz KCWFCBKOUPYKGI-ZACQAIPSSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033960030 709151054 /nfs/dbraw/zinc/15/10/54/709151054.db2.gz KCWFCBKOUPYKGI-ZACQAIPSSA-N 1 2 333.432 1.997 20 30 EDEDLO CCN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033982945 709191828 /nfs/dbraw/zinc/19/18/28/709191828.db2.gz KKNCKBSAUXGHBJ-MRXNPFEDSA-N 1 2 338.415 1.423 20 30 EDEDLO CCN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033982945 709191830 /nfs/dbraw/zinc/19/18/30/709191830.db2.gz KKNCKBSAUXGHBJ-MRXNPFEDSA-N 1 2 338.415 1.423 20 30 EDEDLO CCN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033994814 709204982 /nfs/dbraw/zinc/20/49/82/709204982.db2.gz PWOMGLHQQDDIFC-CQSZACIVSA-N 1 2 342.378 1.552 20 30 EDEDLO CCN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033994814 709204985 /nfs/dbraw/zinc/20/49/85/709204985.db2.gz PWOMGLHQQDDIFC-CQSZACIVSA-N 1 2 342.378 1.552 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccnc3nc(C)nn32)C1 ZINC001034018096 709235303 /nfs/dbraw/zinc/23/53/03/709235303.db2.gz CBGQKVFSABOMRI-ZDUSSCGKSA-N 1 2 348.838 1.722 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnc3nc(C)nn32)C1 ZINC001034018096 709235306 /nfs/dbraw/zinc/23/53/06/709235306.db2.gz CBGQKVFSABOMRI-ZDUSSCGKSA-N 1 2 348.838 1.722 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001002868486 709477477 /nfs/dbraw/zinc/47/74/77/709477477.db2.gz MIJMPRSSUDZMGV-KXBFYZLASA-N 1 2 343.402 1.814 20 30 EDEDLO CCn1ccnc1C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034172723 709488853 /nfs/dbraw/zinc/48/88/53/709488853.db2.gz NTTIJCGRYVFLJP-OAHLLOKOSA-N 1 2 340.431 1.887 20 30 EDEDLO CCn1ccnc1C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034172723 709488856 /nfs/dbraw/zinc/48/88/56/709488856.db2.gz NTTIJCGRYVFLJP-OAHLLOKOSA-N 1 2 340.431 1.887 20 30 EDEDLO Cc1cc(N(C)[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)c(C#N)cn1 ZINC001061227731 709827109 /nfs/dbraw/zinc/82/71/09/709827109.db2.gz MYBOOBFTZSHIML-HNNXBMFYSA-N 1 2 338.415 1.655 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034442848 710022428 /nfs/dbraw/zinc/02/24/28/710022428.db2.gz SWYKOPLBAMIHCY-SZMVWBNQSA-N 1 2 346.475 1.872 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034442848 710022431 /nfs/dbraw/zinc/02/24/31/710022431.db2.gz SWYKOPLBAMIHCY-SZMVWBNQSA-N 1 2 346.475 1.872 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2nc(OC)cc(OC)n2)CC1 ZINC001003157618 710060922 /nfs/dbraw/zinc/06/09/22/710060922.db2.gz CGTDELAXTYGUBP-UHFFFAOYSA-N 1 2 340.811 1.441 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001061755452 710149913 /nfs/dbraw/zinc/14/99/13/710149913.db2.gz JXNSKHPQZLAVOO-HIFRSBDPSA-N 1 2 348.447 1.144 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001061755452 710149916 /nfs/dbraw/zinc/14/99/16/710149916.db2.gz JXNSKHPQZLAVOO-HIFRSBDPSA-N 1 2 348.447 1.144 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032931763 710859016 /nfs/dbraw/zinc/85/90/16/710859016.db2.gz QBRUDTJNJFSEAP-ZDUSSCGKSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032931763 710859022 /nfs/dbraw/zinc/85/90/22/710859022.db2.gz QBRUDTJNJFSEAP-ZDUSSCGKSA-N 1 2 345.403 1.895 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001004056222 711357694 /nfs/dbraw/zinc/35/76/94/711357694.db2.gz OPEDTNTXQJTEQG-UHFFFAOYSA-N 1 2 340.452 1.843 20 30 EDEDLO CCCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC001034935321 711362701 /nfs/dbraw/zinc/36/27/01/711362701.db2.gz LHKPHEARKDXFGF-OAHLLOKOSA-N 1 2 330.432 1.906 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CC)no1 ZINC001034940940 711445207 /nfs/dbraw/zinc/44/52/07/711445207.db2.gz ASAIKCIHQHYXMS-KFWWJZLASA-N 1 2 348.447 1.694 20 30 EDEDLO N#CCN1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004473867 711850292 /nfs/dbraw/zinc/85/02/92/711850292.db2.gz MUHWATQZDBDSPG-AEFFLSMTSA-N 1 2 341.459 1.672 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001033137976 711927472 /nfs/dbraw/zinc/92/74/72/711927472.db2.gz BTVJLOYMTRIUMM-DZGCQCFKSA-N 1 2 334.851 1.867 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3ncncc3C2)C1 ZINC001033137976 711927473 /nfs/dbraw/zinc/92/74/73/711927473.db2.gz BTVJLOYMTRIUMM-DZGCQCFKSA-N 1 2 334.851 1.867 20 30 EDEDLO CC(=O)N1CC[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004599398 712043581 /nfs/dbraw/zinc/04/35/81/712043581.db2.gz HBKMHQUWUZXHPP-IRXDYDNUSA-N 1 2 332.448 1.081 20 30 EDEDLO CC(=O)N1CC[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004599398 712043582 /nfs/dbraw/zinc/04/35/82/712043582.db2.gz HBKMHQUWUZXHPP-IRXDYDNUSA-N 1 2 332.448 1.081 20 30 EDEDLO COc1ccc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)nn1 ZINC001004604767 712054516 /nfs/dbraw/zinc/05/45/16/712054516.db2.gz XFVGERXIRGJDQC-OAHLLOKOSA-N 1 2 329.404 1.325 20 30 EDEDLO COc1ccc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)nn1 ZINC001004604767 712054519 /nfs/dbraw/zinc/05/45/19/712054519.db2.gz XFVGERXIRGJDQC-OAHLLOKOSA-N 1 2 329.404 1.325 20 30 EDEDLO Cc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c(C)n1 ZINC000328946549 539378262 /nfs/dbraw/zinc/37/82/62/539378262.db2.gz VMFVFGKHBXTBET-UHFFFAOYSA-N 1 2 344.459 1.947 20 30 EDEDLO [O-]/C(=[NH+]/Cc1cn2ccsc2n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329727265 539460536 /nfs/dbraw/zinc/46/05/36/539460536.db2.gz GUMBHFAMGGIZOK-CYBMUJFWSA-N 1 2 335.433 1.216 20 30 EDEDLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000330141301 539500496 /nfs/dbraw/zinc/50/04/96/539500496.db2.gz XOWOYQWDDNIXSF-YGRLFVJLSA-N 1 2 334.424 1.261 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000560456254 306269411 /nfs/dbraw/zinc/26/94/11/306269411.db2.gz YQWOMSAHNQLXFX-BMFZPTHFSA-N 1 2 329.400 1.305 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000560456254 306269412 /nfs/dbraw/zinc/26/94/12/306269412.db2.gz YQWOMSAHNQLXFX-BMFZPTHFSA-N 1 2 329.400 1.305 20 30 EDEDLO C=CC[N@H+](CCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000067400016 215140677 /nfs/dbraw/zinc/14/06/77/215140677.db2.gz XOAFYLPYNAGGSM-CYBMUJFWSA-N 1 2 347.440 1.141 20 30 EDEDLO C=CC[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000067400016 215140680 /nfs/dbraw/zinc/14/06/80/215140680.db2.gz XOAFYLPYNAGGSM-CYBMUJFWSA-N 1 2 347.440 1.141 20 30 EDEDLO COc1ccccc1C[N@H+](CCO)CC(=O)Nc1cccc(C#N)c1 ZINC000103144061 219261526 /nfs/dbraw/zinc/26/15/26/219261526.db2.gz RVSAZTHJWOAZGC-UHFFFAOYSA-N 1 2 339.395 2.000 20 30 EDEDLO COc1ccccc1C[N@@H+](CCO)CC(=O)Nc1cccc(C#N)c1 ZINC000103144061 219261530 /nfs/dbraw/zinc/26/15/30/219261530.db2.gz RVSAZTHJWOAZGC-UHFFFAOYSA-N 1 2 339.395 2.000 20 30 EDEDLO Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000562379160 306297098 /nfs/dbraw/zinc/29/70/98/306297098.db2.gz YQXDCPAIWWYRBK-CYBMUJFWSA-N 1 2 343.412 1.810 20 30 EDEDLO Cc1csc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000562379160 306297099 /nfs/dbraw/zinc/29/70/99/306297099.db2.gz YQXDCPAIWWYRBK-CYBMUJFWSA-N 1 2 343.412 1.810 20 30 EDEDLO C=C(CNC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccccc1 ZINC000358588186 539985100 /nfs/dbraw/zinc/98/51/00/539985100.db2.gz LMHWTEVWZCBLKL-UHFFFAOYSA-N 1 2 333.432 1.036 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)NCCCn2cc[nH+]c2)ccc1Cl ZINC000048599629 138127215 /nfs/dbraw/zinc/12/72/15/138127215.db2.gz VRBHIUUZZKHOKP-UHFFFAOYSA-N 1 2 331.763 1.553 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000178556610 138742779 /nfs/dbraw/zinc/74/27/79/138742779.db2.gz HBOWSSVJJDKXPG-OAHLLOKOSA-N 1 2 332.404 1.024 20 30 EDEDLO Cc1ccccc1N1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000126665590 237174044 /nfs/dbraw/zinc/17/40/44/237174044.db2.gz BPIGCJXUACXCRS-UHFFFAOYSA-N 1 2 339.443 1.773 20 30 EDEDLO COc1ccc(C(N)=[NH+]O[C@H]2CCCN(c3cnn(C)c3)C2=O)cc1 ZINC000174115593 237276448 /nfs/dbraw/zinc/27/64/48/237276448.db2.gz NRLOXMREXQQQAH-HNNXBMFYSA-N 1 2 343.387 1.261 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3nccc4c(=O)[nH]cnc43)CC2)cc1 ZINC000565222835 306379452 /nfs/dbraw/zinc/37/94/52/306379452.db2.gz RAWVREQFZHACLS-UHFFFAOYSA-N 1 2 346.394 1.924 20 30 EDEDLO COCCC[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000111233509 220120216 /nfs/dbraw/zinc/12/02/16/220120216.db2.gz MYBOETNWSPCINX-HNNXBMFYSA-N 1 2 340.420 1.723 20 30 EDEDLO COCCC[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000111233509 220120221 /nfs/dbraw/zinc/12/02/21/220120221.db2.gz MYBOETNWSPCINX-HNNXBMFYSA-N 1 2 340.420 1.723 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O)c(C#N)c1C ZINC000248488167 139166011 /nfs/dbraw/zinc/16/60/11/139166011.db2.gz MGEMKJUAVTUSHZ-AOUSDQRYSA-N 1 2 327.475 1.874 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O)c(C#N)c1C ZINC000248488167 139166012 /nfs/dbraw/zinc/16/60/12/139166012.db2.gz MGEMKJUAVTUSHZ-AOUSDQRYSA-N 1 2 327.475 1.874 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000342584725 250007391 /nfs/dbraw/zinc/00/73/91/250007391.db2.gz KTISVJZDKDQHJC-UHFFFAOYSA-N 1 2 332.326 1.486 20 30 EDEDLO C=CCC[N@@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000342728365 250008922 /nfs/dbraw/zinc/00/89/22/250008922.db2.gz WKNXIIZMCJTTSP-MRXNPFEDSA-N 1 2 342.505 1.843 20 30 EDEDLO C=CCC[N@H+](C)CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000342728365 250008923 /nfs/dbraw/zinc/00/89/23/250008923.db2.gz WKNXIIZMCJTTSP-MRXNPFEDSA-N 1 2 342.505 1.843 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000345791548 250034676 /nfs/dbraw/zinc/03/46/76/250034676.db2.gz RGUOIUHONVCORO-AWEZNQCLSA-N 1 2 328.416 1.465 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000345813359 250035312 /nfs/dbraw/zinc/03/53/12/250035312.db2.gz FFMKYIQQWQTOPX-MRXNPFEDSA-N 1 2 336.436 1.860 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(OC(F)F)cn2)CC1 ZINC000354570458 250093008 /nfs/dbraw/zinc/09/30/08/250093008.db2.gz QRDJFXKYCBGPOT-UHFFFAOYSA-N 1 2 326.347 1.107 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC)CC(N)=O)cc1 ZINC000355635927 250118903 /nfs/dbraw/zinc/11/89/03/250118903.db2.gz OSUOFOBUVPMPRN-UHFFFAOYSA-N 1 2 332.404 1.139 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](CC)CC(N)=O)cc1 ZINC000355635927 250118907 /nfs/dbraw/zinc/11/89/07/250118907.db2.gz OSUOFOBUVPMPRN-UHFFFAOYSA-N 1 2 332.404 1.139 20 30 EDEDLO C=CCCC1(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000355791976 250122328 /nfs/dbraw/zinc/12/23/28/250122328.db2.gz JZGNICKLVNVQMY-MRXNPFEDSA-N 1 2 349.475 1.124 20 30 EDEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1(C(N)=O)CCCC1 ZINC000093211008 218204870 /nfs/dbraw/zinc/20/48/70/218204870.db2.gz SNWGOVTUCIZBAG-UHFFFAOYSA-N 1 2 325.372 1.838 20 30 EDEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1(C(N)=O)CCCC1 ZINC000093211008 218204872 /nfs/dbraw/zinc/20/48/72/218204872.db2.gz SNWGOVTUCIZBAG-UHFFFAOYSA-N 1 2 325.372 1.838 20 30 EDEDLO C#Cc1ccc(C[N@@H+]2CCc3ncnc(N4CCOCC4)c3C2)cc1 ZINC000368022100 250198193 /nfs/dbraw/zinc/19/81/93/250198193.db2.gz MYTNVRKLVMGCKX-UHFFFAOYSA-N 1 2 334.423 1.853 20 30 EDEDLO C#Cc1ccc(C[N@H+]2CCc3ncnc(N4CCOCC4)c3C2)cc1 ZINC000368022100 250198196 /nfs/dbraw/zinc/19/81/96/250198196.db2.gz MYTNVRKLVMGCKX-UHFFFAOYSA-N 1 2 334.423 1.853 20 30 EDEDLO C[C@@H](O)c1cn(C2C[NH+](Cc3ccc(N(C)CCC#N)cc3)C2)nn1 ZINC000374795726 250272988 /nfs/dbraw/zinc/27/29/88/250272988.db2.gz BOKSPIUMQKVGAP-CQSZACIVSA-N 1 2 340.431 1.738 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCOC[C@@H]2CC(=O)OC)cc(OC)c1O ZINC000377827223 250293788 /nfs/dbraw/zinc/29/37/88/250293788.db2.gz UPHYJHXHQMARNQ-HNNXBMFYSA-N 1 2 335.400 1.893 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCOC[C@@H]2CC(=O)OC)cc(OC)c1O ZINC000377827223 250293791 /nfs/dbraw/zinc/29/37/91/250293791.db2.gz UPHYJHXHQMARNQ-HNNXBMFYSA-N 1 2 335.400 1.893 20 30 EDEDLO COc1cc(C)c([S@@](C)=O)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000424140519 252140496 /nfs/dbraw/zinc/14/04/96/252140496.db2.gz SKODTVBSPYXTNV-ZAMGYDSWSA-N 1 2 340.445 1.326 20 30 EDEDLO COc1cc(C)c([S@@](C)=O)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000424140519 252140498 /nfs/dbraw/zinc/14/04/98/252140498.db2.gz SKODTVBSPYXTNV-ZAMGYDSWSA-N 1 2 340.445 1.326 20 30 EDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)nn1 ZINC000424299069 252192480 /nfs/dbraw/zinc/19/24/80/252192480.db2.gz UTLCHIIGCICFSV-ZDUSSCGKSA-N 1 2 349.460 1.565 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000491069760 255117916 /nfs/dbraw/zinc/11/79/16/255117916.db2.gz XWTDOQGFYUTYGG-QGZVFWFLSA-N 1 2 339.395 1.234 20 30 EDEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000490781142 255107217 /nfs/dbraw/zinc/10/72/17/255107217.db2.gz XCAVYJGEDVSWKW-OAHLLOKOSA-N 1 2 333.407 1.691 20 30 EDEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000490781142 255107218 /nfs/dbraw/zinc/10/72/18/255107218.db2.gz XCAVYJGEDVSWKW-OAHLLOKOSA-N 1 2 333.407 1.691 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(OCC3CC3)cc2)CC1 ZINC000490799090 255107616 /nfs/dbraw/zinc/10/76/16/255107616.db2.gz AZPQMTDSLBPXQS-UHFFFAOYSA-N 1 2 328.412 1.632 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000491043645 255115805 /nfs/dbraw/zinc/11/58/05/255115805.db2.gz DDCXZDIBNYTVPT-RHSMWYFYSA-N 1 2 344.846 1.660 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC000491634060 255134637 /nfs/dbraw/zinc/13/46/37/255134637.db2.gz QKGMYCZVDIKCOM-UHFFFAOYSA-N 1 2 339.298 1.029 20 30 EDEDLO C#CCNC(=O)c1cccc(-c2noc([C@@H]3C[N@H+](C)CCO3)n2)c1 ZINC000491639582 255136250 /nfs/dbraw/zinc/13/62/50/255136250.db2.gz ZPLSLRLGTPWTNC-AWEZNQCLSA-N 1 2 326.356 1.103 20 30 EDEDLO C#CCNC(=O)c1cccc(-c2noc([C@@H]3C[N@@H+](C)CCO3)n2)c1 ZINC000491639582 255136251 /nfs/dbraw/zinc/13/62/51/255136251.db2.gz ZPLSLRLGTPWTNC-AWEZNQCLSA-N 1 2 326.356 1.103 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000491702046 255143206 /nfs/dbraw/zinc/14/32/06/255143206.db2.gz XNTFLGOVYDEZJM-JKSUJKDBSA-N 1 2 334.851 1.559 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)c1ccc(Cl)cc1 ZINC000491702046 255143208 /nfs/dbraw/zinc/14/32/08/255143208.db2.gz XNTFLGOVYDEZJM-JKSUJKDBSA-N 1 2 334.851 1.559 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCCN(CC(F)(F)F)C2=O)n1 ZINC000491774802 255147042 /nfs/dbraw/zinc/14/70/42/255147042.db2.gz CSCFWEFDTRHGGH-CQSZACIVSA-N 1 2 342.365 1.892 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCCN(CC(F)(F)F)C2=O)n1 ZINC000491774802 255147044 /nfs/dbraw/zinc/14/70/44/255147044.db2.gz CSCFWEFDTRHGGH-CQSZACIVSA-N 1 2 342.365 1.892 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000130146890 533196366 /nfs/dbraw/zinc/19/63/66/533196366.db2.gz MSHHLKYYRFSHNN-INIZCTEOSA-N 1 2 326.444 1.687 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000130146890 533196372 /nfs/dbraw/zinc/19/63/72/533196372.db2.gz MSHHLKYYRFSHNN-INIZCTEOSA-N 1 2 326.444 1.687 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1nncn1C ZINC000494790577 255261760 /nfs/dbraw/zinc/26/17/60/255261760.db2.gz AGBZBWBZLUGVPM-OLZOCXBDSA-N 1 2 344.394 1.940 20 30 EDEDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000496222812 255366472 /nfs/dbraw/zinc/36/64/72/255366472.db2.gz CEVCRLSYSMNZIF-AWEZNQCLSA-N 1 2 328.376 1.311 20 30 EDEDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000496222812 255366473 /nfs/dbraw/zinc/36/64/73/255366473.db2.gz CEVCRLSYSMNZIF-AWEZNQCLSA-N 1 2 328.376 1.311 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)C[C@@H]3CCOC3)CC2)cc1 ZINC000264328514 139397669 /nfs/dbraw/zinc/39/76/69/139397669.db2.gz JVMWRPIPUDJILO-QGZVFWFLSA-N 1 2 349.456 1.042 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000571581111 306569017 /nfs/dbraw/zinc/56/90/17/306569017.db2.gz HDVLWIDDFSRQSW-ZDUSSCGKSA-N 1 2 342.447 1.105 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1Cl ZINC000270896948 140192767 /nfs/dbraw/zinc/19/27/67/140192767.db2.gz MBNAHEVIUSSLDX-CQSZACIVSA-N 1 2 346.818 1.847 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1Cl ZINC000270896948 140192769 /nfs/dbraw/zinc/19/27/69/140192769.db2.gz MBNAHEVIUSSLDX-CQSZACIVSA-N 1 2 346.818 1.847 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCOCC3)CC2)cc1 ZINC000271890633 140367739 /nfs/dbraw/zinc/36/77/39/140367739.db2.gz CQMUYXJGNCRRIQ-GOSISDBHSA-N 1 2 342.443 1.955 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000332610278 141214326 /nfs/dbraw/zinc/21/43/26/141214326.db2.gz OWQMWIRHWQUFLS-GFCCVEGCSA-N 1 2 346.431 1.045 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000332610278 141214327 /nfs/dbraw/zinc/21/43/27/141214327.db2.gz OWQMWIRHWQUFLS-GFCCVEGCSA-N 1 2 346.431 1.045 20 30 EDEDLO CN(C[C@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1nccnc1C#N ZINC000347927647 143380247 /nfs/dbraw/zinc/38/02/47/143380247.db2.gz PCRHLVNYSGIKQM-UONOGXRCSA-N 1 2 329.383 1.131 20 30 EDEDLO CN(C[C@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1nccnc1C#N ZINC000347927647 143380248 /nfs/dbraw/zinc/38/02/48/143380248.db2.gz PCRHLVNYSGIKQM-UONOGXRCSA-N 1 2 329.383 1.131 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@]1=O ZINC000352618320 149087794 /nfs/dbraw/zinc/08/77/94/149087794.db2.gz OUVMSRARUSGNRW-ZAMGYDSWSA-N 1 2 328.441 1.912 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@]1=O ZINC000352618320 149087796 /nfs/dbraw/zinc/08/77/96/149087796.db2.gz OUVMSRARUSGNRW-ZAMGYDSWSA-N 1 2 328.441 1.912 20 30 EDEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355106752 150119389 /nfs/dbraw/zinc/11/93/89/150119389.db2.gz YDTRWYWCALJPME-IYBDPMFKSA-N 1 2 341.459 1.865 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000363592411 153007545 /nfs/dbraw/zinc/00/75/45/153007545.db2.gz JKTLZZDQCLMYEU-UHFFFAOYSA-N 1 2 328.416 1.517 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000363592411 153007546 /nfs/dbraw/zinc/00/75/46/153007546.db2.gz JKTLZZDQCLMYEU-UHFFFAOYSA-N 1 2 328.416 1.517 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)C(=O)C1 ZINC000364070682 153137448 /nfs/dbraw/zinc/13/74/48/153137448.db2.gz XIWWHFXDOFDLAW-UHFFFAOYSA-N 1 2 343.387 1.209 20 30 EDEDLO C[N@H+]1CCN(C2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)C(=O)C1 ZINC000364070682 153137451 /nfs/dbraw/zinc/13/74/51/153137451.db2.gz XIWWHFXDOFDLAW-UHFFFAOYSA-N 1 2 343.387 1.209 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)C(=O)C1 ZINC000365016905 153399322 /nfs/dbraw/zinc/39/93/22/153399322.db2.gz TWNCFTBARILWGW-UHFFFAOYSA-N 1 2 341.415 1.329 20 30 EDEDLO C[N@H+]1CCN(C2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)C(=O)C1 ZINC000365016905 153399324 /nfs/dbraw/zinc/39/93/24/153399324.db2.gz TWNCFTBARILWGW-UHFFFAOYSA-N 1 2 341.415 1.329 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@H+](CCCOC(=O)NC(N)=O)CCO2)c1 ZINC000367549563 154171325 /nfs/dbraw/zinc/17/13/25/154171325.db2.gz LEDOOUXNWYAXOD-AWEZNQCLSA-N 1 2 332.360 1.127 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCCOC(=O)NC(N)=O)CCO2)c1 ZINC000367549563 154171328 /nfs/dbraw/zinc/17/13/28/154171328.db2.gz LEDOOUXNWYAXOD-AWEZNQCLSA-N 1 2 332.360 1.127 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000369381605 155005925 /nfs/dbraw/zinc/00/59/25/155005925.db2.gz MREJZVXNOSKZHT-UKRRQHHQSA-N 1 2 331.372 1.149 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000369381605 155005929 /nfs/dbraw/zinc/00/59/29/155005929.db2.gz MREJZVXNOSKZHT-UKRRQHHQSA-N 1 2 331.372 1.149 20 30 EDEDLO N#Cc1cccc(CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000374276713 157222934 /nfs/dbraw/zinc/22/29/34/157222934.db2.gz DLVJTTWADUTGQX-QGZVFWFLSA-N 1 2 328.416 1.217 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000374348063 157255185 /nfs/dbraw/zinc/25/51/85/157255185.db2.gz FCDVTSGRPKKGNC-LLVKDONJSA-N 1 2 334.376 1.609 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000378318022 158139015 /nfs/dbraw/zinc/13/90/15/158139015.db2.gz WBTBAKAEIFQDBW-LSDHHAIUSA-N 1 2 335.429 1.090 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000378318022 158139019 /nfs/dbraw/zinc/13/90/19/158139019.db2.gz WBTBAKAEIFQDBW-LSDHHAIUSA-N 1 2 335.429 1.090 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000075680935 287278462 /nfs/dbraw/zinc/27/84/62/287278462.db2.gz MFNBBEHFXKIHHJ-UHFFFAOYSA-N 1 2 335.411 1.392 20 30 EDEDLO Cc1cc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)ncc1C#N ZINC000457423481 269910528 /nfs/dbraw/zinc/91/05/28/269910528.db2.gz PPTVBITYOKPIFN-UHFFFAOYSA-N 1 2 337.383 1.423 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000435170563 270013105 /nfs/dbraw/zinc/01/31/05/270013105.db2.gz HKOWBMWEKWAWKG-UHFFFAOYSA-N 1 2 328.351 1.770 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc2ccc(C#N)cn12 ZINC000154795400 270008735 /nfs/dbraw/zinc/00/87/35/270008735.db2.gz MBGSRLZJZSZBNN-UHFFFAOYSA-N 1 2 338.415 1.254 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000294948182 270011050 /nfs/dbraw/zinc/01/10/50/270011050.db2.gz PXJBMWQIEZRROR-UHFFFAOYSA-N 1 2 349.394 1.606 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1C#N ZINC000534471230 270016200 /nfs/dbraw/zinc/01/62/00/270016200.db2.gz ANXFPZMGBJJCLZ-INIZCTEOSA-N 1 2 327.384 1.588 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1C#N ZINC000534471230 270016201 /nfs/dbraw/zinc/01/62/01/270016201.db2.gz ANXFPZMGBJJCLZ-INIZCTEOSA-N 1 2 327.384 1.588 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284528958 266332554 /nfs/dbraw/zinc/33/25/54/266332554.db2.gz FJGPKLXBUJMZFU-DOTOQJQBSA-N 1 2 344.415 1.894 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284528958 266332559 /nfs/dbraw/zinc/33/25/59/266332559.db2.gz FJGPKLXBUJMZFU-DOTOQJQBSA-N 1 2 344.415 1.894 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000440268270 267164244 /nfs/dbraw/zinc/16/42/44/267164244.db2.gz GBNXQTNKRMBOIR-GFCCVEGCSA-N 1 2 330.388 1.058 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000440268270 267164246 /nfs/dbraw/zinc/16/42/46/267164246.db2.gz GBNXQTNKRMBOIR-GFCCVEGCSA-N 1 2 330.388 1.058 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2cnc(C#N)c(Cl)c2)CCO1 ZINC000455758074 267231568 /nfs/dbraw/zinc/23/15/68/267231568.db2.gz IXFZHCZALJLMFR-LBPRGKRZSA-N 1 2 337.811 1.839 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2cnc(C#N)c(Cl)c2)CCO1 ZINC000455758074 267231570 /nfs/dbraw/zinc/23/15/70/267231570.db2.gz IXFZHCZALJLMFR-LBPRGKRZSA-N 1 2 337.811 1.839 20 30 EDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC000418934365 267299149 /nfs/dbraw/zinc/29/91/49/267299149.db2.gz JMJVGTVJGKMLET-MRXNPFEDSA-N 1 2 346.431 1.432 20 30 EDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(c2ccc(C#N)nc2)CCO1 ZINC000418934365 267299152 /nfs/dbraw/zinc/29/91/52/267299152.db2.gz JMJVGTVJGKMLET-MRXNPFEDSA-N 1 2 346.431 1.432 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(c2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425253591 267325210 /nfs/dbraw/zinc/32/52/10/267325210.db2.gz JXPVKKDXQOEFOE-AWEZNQCLSA-N 1 2 338.371 1.967 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(c2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425253591 267325212 /nfs/dbraw/zinc/32/52/12/267325212.db2.gz JXPVKKDXQOEFOE-AWEZNQCLSA-N 1 2 338.371 1.967 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000438593801 267366527 /nfs/dbraw/zinc/36/65/27/267366527.db2.gz DFGHBRDAGDCRHB-UKRRQHHQSA-N 1 2 333.413 1.065 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000438593801 267366532 /nfs/dbraw/zinc/36/65/32/267366532.db2.gz DFGHBRDAGDCRHB-UKRRQHHQSA-N 1 2 333.413 1.065 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000455963327 267961700 /nfs/dbraw/zinc/96/17/00/267961700.db2.gz BMAMTRQTQRPXJR-UHFFFAOYSA-N 1 2 341.415 1.946 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000289199295 268081555 /nfs/dbraw/zinc/08/15/55/268081555.db2.gz OTTJNDCCQQELTG-MRXNPFEDSA-N 1 2 342.424 1.652 20 30 EDEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)nn1 ZINC000301965176 268119889 /nfs/dbraw/zinc/11/98/89/268119889.db2.gz KAPXBBRSBSTYCQ-KRWDZBQOSA-N 1 2 348.410 1.276 20 30 EDEDLO N#Cc1cc(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)ccc1Cl ZINC000420447029 268191306 /nfs/dbraw/zinc/19/13/06/268191306.db2.gz PSCRHOYFESGUTF-SNVBAGLBSA-N 1 2 349.790 1.735 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000459373161 268290377 /nfs/dbraw/zinc/29/03/77/268290377.db2.gz JTFSPTNUUKRGFI-UHFFFAOYSA-N 1 2 326.360 1.970 20 30 EDEDLO N#Cc1nccnc1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000301188133 268332069 /nfs/dbraw/zinc/33/20/69/268332069.db2.gz QIQNGGAYESYJQA-UHFFFAOYSA-N 1 2 336.399 1.863 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)c1cccc(C#N)c1 ZINC000155368779 287659178 /nfs/dbraw/zinc/65/91/78/287659178.db2.gz KKWBXZWNTZSHIW-UHFFFAOYSA-N 1 2 335.411 1.738 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(c3ncc(C#N)cc3Cl)CC2)C(=O)C1 ZINC000374854366 277103730 /nfs/dbraw/zinc/10/37/30/277103730.db2.gz MCVLAPOLWAPNBK-UHFFFAOYSA-N 1 2 333.823 1.349 20 30 EDEDLO C[N@H+]1CCN(C2CCN(c3ncc(C#N)cc3Cl)CC2)C(=O)C1 ZINC000374854366 277103731 /nfs/dbraw/zinc/10/37/31/277103731.db2.gz MCVLAPOLWAPNBK-UHFFFAOYSA-N 1 2 333.823 1.349 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(c3c(F)cc(C#N)cc3F)CC2)C(=O)C1 ZINC000378610618 277103795 /nfs/dbraw/zinc/10/37/95/277103795.db2.gz XGBYXPRKGGDGBC-UHFFFAOYSA-N 1 2 334.370 1.579 20 30 EDEDLO C[N@H+]1CCN(C2CCN(c3c(F)cc(C#N)cc3F)CC2)C(=O)C1 ZINC000378610618 277103796 /nfs/dbraw/zinc/10/37/96/277103796.db2.gz XGBYXPRKGGDGBC-UHFFFAOYSA-N 1 2 334.370 1.579 20 30 EDEDLO C[N@@H+]1CC[C@H]2CCN(CCS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 ZINC000375245956 277177320 /nfs/dbraw/zinc/17/73/20/277177320.db2.gz VYUFNKZXJKDVOQ-RDJZCZTQSA-N 1 2 333.457 1.358 20 30 EDEDLO C[N@H+]1CC[C@H]2CCN(CCS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 ZINC000375245956 277177322 /nfs/dbraw/zinc/17/73/22/277177322.db2.gz VYUFNKZXJKDVOQ-RDJZCZTQSA-N 1 2 333.457 1.358 20 30 EDEDLO CN1CC[C@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 ZINC000375245956 277177324 /nfs/dbraw/zinc/17/73/24/277177324.db2.gz VYUFNKZXJKDVOQ-RDJZCZTQSA-N 1 2 333.457 1.358 20 30 EDEDLO CN1CC[C@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 ZINC000375245956 277177325 /nfs/dbraw/zinc/17/73/25/277177325.db2.gz VYUFNKZXJKDVOQ-RDJZCZTQSA-N 1 2 333.457 1.358 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000373261998 277801254 /nfs/dbraw/zinc/80/12/54/277801254.db2.gz SBRQNEBZAAASTJ-IXDOHACOSA-N 1 2 349.475 1.171 20 30 EDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000171536471 277857560 /nfs/dbraw/zinc/85/75/60/277857560.db2.gz QWTHEAITYGAZCP-UHFFFAOYSA-N 1 2 343.380 1.663 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)NCCCC#N)[C@@H]1c1c[nH+]cn1C ZINC000373583402 278801042 /nfs/dbraw/zinc/80/10/42/278801042.db2.gz ZNICRJASEBZKPA-CZUORRHYSA-N 1 2 331.420 1.530 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000342275664 288525767 /nfs/dbraw/zinc/52/57/67/288525767.db2.gz YYKDDDXJSCTDTR-DGCLKSJQSA-N 1 2 334.807 1.542 20 30 EDEDLO Cn1c[nH+]c2c1CCN([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000371494137 294466048 /nfs/dbraw/zinc/46/60/48/294466048.db2.gz XGDFNEKHBDLINH-SFHVURJKSA-N 1 2 335.411 1.845 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414595190 447315253 /nfs/dbraw/zinc/31/52/53/447315253.db2.gz ZUNBXIOPZOWZEC-MRXNPFEDSA-N 1 2 329.444 1.754 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414595190 447315258 /nfs/dbraw/zinc/31/52/58/447315258.db2.gz ZUNBXIOPZOWZEC-MRXNPFEDSA-N 1 2 329.444 1.754 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000115533420 303199828 /nfs/dbraw/zinc/19/98/28/303199828.db2.gz ZNZZLOQICKBTBF-KRWDZBQOSA-N 1 2 340.427 1.419 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1C#N ZINC000535577577 306014422 /nfs/dbraw/zinc/01/44/22/306014422.db2.gz ZNUHPOIOJDPXGZ-CQSZACIVSA-N 1 2 327.384 1.542 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1C#N ZINC000535577577 306014423 /nfs/dbraw/zinc/01/44/23/306014423.db2.gz ZNUHPOIOJDPXGZ-CQSZACIVSA-N 1 2 327.384 1.542 20 30 EDEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC000547824771 306112641 /nfs/dbraw/zinc/11/26/41/306112641.db2.gz JUOOTEAIBMAYAL-WBVHZDCISA-N 1 2 341.459 1.770 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)CSCC#N)c[nH+]2)C[C@H](C)O1 ZINC000044537026 440854812 /nfs/dbraw/zinc/85/48/12/440854812.db2.gz RWUNPDRVLQMEQT-STQMWFEESA-N 1 2 334.445 1.568 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)cc1 ZINC000047461520 441192611 /nfs/dbraw/zinc/19/26/11/441192611.db2.gz UKWZAYSMBQABJO-UHFFFAOYSA-N 1 2 334.423 1.975 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000015518754 441204785 /nfs/dbraw/zinc/20/47/85/441204785.db2.gz NGQZESGNUBWONZ-HNNXBMFYSA-N 1 2 347.415 1.853 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000015518754 441204790 /nfs/dbraw/zinc/20/47/90/441204790.db2.gz NGQZESGNUBWONZ-HNNXBMFYSA-N 1 2 347.415 1.853 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCN(c2ccccc2O)CC1)C1CC1 ZINC000058889451 441217363 /nfs/dbraw/zinc/21/73/63/441217363.db2.gz SIRDDEBJTJIPSG-SFHVURJKSA-N 1 2 328.416 1.323 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081050644 441226561 /nfs/dbraw/zinc/22/65/61/441226561.db2.gz GFKAAEOURKVMSS-BXUZGUMPSA-N 1 2 333.354 1.717 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081050644 441226566 /nfs/dbraw/zinc/22/65/66/441226566.db2.gz GFKAAEOURKVMSS-BXUZGUMPSA-N 1 2 333.354 1.717 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1n[nH]c2ccccc21 ZINC000072656395 441246920 /nfs/dbraw/zinc/24/69/20/441246920.db2.gz PPTLKUYTOXKBHL-UHFFFAOYSA-N 1 2 327.388 1.251 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000048021665 441251584 /nfs/dbraw/zinc/25/15/84/441251584.db2.gz YSLMRBOVSZONEW-CQSZACIVSA-N 1 2 349.862 1.717 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COCC(F)(F)F)CC2)cc1 ZINC000060601181 441252591 /nfs/dbraw/zinc/25/25/91/441252591.db2.gz GZSBCBKWOOVYPB-UHFFFAOYSA-N 1 2 341.333 1.781 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000105797447 441271864 /nfs/dbraw/zinc/27/18/64/441271864.db2.gz MEMDKEDTLFCPBJ-AWEZNQCLSA-N 1 2 347.463 1.417 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)OCc1ccccc1 ZINC000081530766 441283004 /nfs/dbraw/zinc/28/30/04/441283004.db2.gz KIPFUKQUNMXROO-UHFFFAOYSA-N 1 2 331.416 1.278 20 30 EDEDLO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)NCC3CC3)CC2)cc1 ZINC000028155304 441426906 /nfs/dbraw/zinc/42/69/06/441426906.db2.gz MFJYOWXFEQHENZ-UHFFFAOYSA-N 1 2 326.444 1.592 20 30 EDEDLO N#Cc1ccc(CN2CCC[N@H+](CC(=O)NCC3CC3)CC2)cc1 ZINC000028155304 441426907 /nfs/dbraw/zinc/42/69/07/441426907.db2.gz MFJYOWXFEQHENZ-UHFFFAOYSA-N 1 2 326.444 1.592 20 30 EDEDLO N#Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000027378119 441401706 /nfs/dbraw/zinc/40/17/06/441401706.db2.gz KTFVRQOVBRXWKI-UHFFFAOYSA-N 1 2 335.411 1.710 20 30 EDEDLO C=CC[N@@H+](CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)Cc1ccccc1 ZINC000052579221 441462306 /nfs/dbraw/zinc/46/23/06/441462306.db2.gz FOOHIODDOQSWBJ-UHFFFAOYSA-N 1 2 342.399 1.010 20 30 EDEDLO C=CC[N@H+](CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O)Cc1ccccc1 ZINC000052579221 441462307 /nfs/dbraw/zinc/46/23/07/441462307.db2.gz FOOHIODDOQSWBJ-UHFFFAOYSA-N 1 2 342.399 1.010 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000066868618 441577721 /nfs/dbraw/zinc/57/77/21/441577721.db2.gz MOIUTBVTIFWQTA-CQSZACIVSA-N 1 2 349.866 1.865 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCN2CCOCC2)c(C#N)c1C ZINC000114463767 441660401 /nfs/dbraw/zinc/66/04/01/441660401.db2.gz UOUGEMNWDITUDD-ZDUSSCGKSA-N 1 2 334.420 1.359 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCN2CCOCC2)c(C#N)c1C ZINC000114463767 441660403 /nfs/dbraw/zinc/66/04/03/441660403.db2.gz UOUGEMNWDITUDD-ZDUSSCGKSA-N 1 2 334.420 1.359 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2ncccc21 ZINC000114683949 441674575 /nfs/dbraw/zinc/67/45/75/441674575.db2.gz BHNNUPNTOUSHDK-UHFFFAOYSA-N 1 2 338.411 1.923 20 30 EDEDLO COc1cc(F)ccc1N1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000115551054 441756260 /nfs/dbraw/zinc/75/62/60/441756260.db2.gz PINBGFORWOAHAM-AWEZNQCLSA-N 1 2 348.422 1.717 20 30 EDEDLO CCC[N@H+](CC(=O)N(C)C)CC(=O)N(CCC#N)c1ccccc1 ZINC000056510730 441720793 /nfs/dbraw/zinc/72/07/93/441720793.db2.gz ULZXMCIIWLSCTL-UHFFFAOYSA-N 1 2 330.432 1.733 20 30 EDEDLO CCC[N@@H+](CC(=O)N(C)C)CC(=O)N(CCC#N)c1ccccc1 ZINC000056510730 441720795 /nfs/dbraw/zinc/72/07/95/441720795.db2.gz ULZXMCIIWLSCTL-UHFFFAOYSA-N 1 2 330.432 1.733 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000137566496 441773986 /nfs/dbraw/zinc/77/39/86/441773986.db2.gz ZZEURYMAAVSGGK-INIZCTEOSA-N 1 2 342.395 1.090 20 30 EDEDLO C=CC[N@@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361013 441793662 /nfs/dbraw/zinc/79/36/62/441793662.db2.gz BQISGNLYHFZAIL-MRXNPFEDSA-N 1 2 346.456 1.751 20 30 EDEDLO C=CC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361013 441793666 /nfs/dbraw/zinc/79/36/66/441793666.db2.gz BQISGNLYHFZAIL-MRXNPFEDSA-N 1 2 346.456 1.751 20 30 EDEDLO C=C[C@H](CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000122871421 441866216 /nfs/dbraw/zinc/86/62/16/441866216.db2.gz CHPLRLVYWFIGFI-AEFFLSMTSA-N 1 2 332.444 1.498 20 30 EDEDLO N#CC1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCOCC1 ZINC000116643184 441834273 /nfs/dbraw/zinc/83/42/73/441834273.db2.gz NSCVQTHQIXBUSY-UHFFFAOYSA-N 1 2 329.400 1.778 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000123040706 441873672 /nfs/dbraw/zinc/87/36/72/441873672.db2.gz YZRSKPNGCDQUGS-UHFFFAOYSA-N 1 2 338.452 1.691 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000123040706 441873677 /nfs/dbraw/zinc/87/36/77/441873677.db2.gz YZRSKPNGCDQUGS-UHFFFAOYSA-N 1 2 338.452 1.691 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(F)c(F)cc2F)CC1 ZINC000122251649 441841881 /nfs/dbraw/zinc/84/18/81/441841881.db2.gz OIYABWUDAAPIPL-UHFFFAOYSA-N 1 2 327.350 1.524 20 30 EDEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000160617271 441901970 /nfs/dbraw/zinc/90/19/70/441901970.db2.gz KQRHYZALKIGPNG-UHFFFAOYSA-N 1 2 348.403 1.778 20 30 EDEDLO C#CC[N@@H+](CCCOCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000119075885 441916058 /nfs/dbraw/zinc/91/60/58/441916058.db2.gz HMYRTENKMRAHLH-GOSISDBHSA-N 1 2 335.469 1.758 20 30 EDEDLO C#CC[N@H+](CCCOCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000119075885 441916062 /nfs/dbraw/zinc/91/60/62/441916062.db2.gz HMYRTENKMRAHLH-GOSISDBHSA-N 1 2 335.469 1.758 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000078678662 441962115 /nfs/dbraw/zinc/96/21/15/441962115.db2.gz JSKSZGYUNAQBJX-DLBZAZTESA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000078678662 441962118 /nfs/dbraw/zinc/96/21/18/441962118.db2.gz JSKSZGYUNAQBJX-DLBZAZTESA-N 1 2 333.476 1.487 20 30 EDEDLO CCN(C(=O)CN(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000078681672 441962191 /nfs/dbraw/zinc/96/21/91/441962191.db2.gz QMJATGFUDDGWFE-UHFFFAOYSA-N 1 2 344.459 1.587 20 30 EDEDLO N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151134913 442011592 /nfs/dbraw/zinc/01/15/92/442011592.db2.gz QGYSLYPXAUDSRI-OAHLLOKOSA-N 1 2 347.371 1.934 20 30 EDEDLO COc1cc(C[NH+]2CCN(c3cnc(C#N)cn3)CC2)cc(OC)c1 ZINC000126233075 442090191 /nfs/dbraw/zinc/09/01/91/442090191.db2.gz YXHRCQWNSMJAHH-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc2ccccn12 ZINC000162019495 442057169 /nfs/dbraw/zinc/05/71/69/442057169.db2.gz CZCXMMHHOUAQGS-AWEZNQCLSA-N 1 2 333.399 1.707 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc2ccccn12 ZINC000162019495 442057172 /nfs/dbraw/zinc/05/71/72/442057172.db2.gz CZCXMMHHOUAQGS-AWEZNQCLSA-N 1 2 333.399 1.707 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cn1ccc2ccccc21 ZINC000162495292 442098501 /nfs/dbraw/zinc/09/85/01/442098501.db2.gz QERBSPXJOKPVIE-UHFFFAOYSA-N 1 2 340.427 1.716 20 30 EDEDLO CC(=O)NC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176219455 442194053 /nfs/dbraw/zinc/19/40/53/442194053.db2.gz QDQRSTCPMVQUIY-INIZCTEOSA-N 1 2 349.456 1.180 20 30 EDEDLO CC(=O)NC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176219455 442194056 /nfs/dbraw/zinc/19/40/56/442194056.db2.gz QDQRSTCPMVQUIY-INIZCTEOSA-N 1 2 349.456 1.180 20 30 EDEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)o3)CC2)C1 ZINC000121394044 442211580 /nfs/dbraw/zinc/21/15/80/442211580.db2.gz PNPZYSUAFRTWSN-IYBDPMFKSA-N 1 2 344.459 1.773 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000166150343 442213998 /nfs/dbraw/zinc/21/39/98/442213998.db2.gz LCHOTPNMVCMTDZ-OAHLLOKOSA-N 1 2 342.424 1.901 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000170655184 442243313 /nfs/dbraw/zinc/24/33/13/442243313.db2.gz TWMYHODYJDYDJL-OAHLLOKOSA-N 1 2 346.412 1.662 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000129010208 442298550 /nfs/dbraw/zinc/29/85/50/442298550.db2.gz GOZQXDNOZUUVRY-UHFFFAOYSA-N 1 2 326.375 1.258 20 30 EDEDLO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000176810320 442260293 /nfs/dbraw/zinc/26/02/93/442260293.db2.gz XPHZARWURAQKRQ-UHFFFAOYSA-N 1 2 339.436 1.991 20 30 EDEDLO Cn1c[nH+]cc1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000177249021 442319673 /nfs/dbraw/zinc/31/96/73/442319673.db2.gz LINIIGGIQKIYFG-UHFFFAOYSA-N 1 2 338.371 1.862 20 30 EDEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178647577 442451724 /nfs/dbraw/zinc/45/17/24/442451724.db2.gz CXWIYJOIHHNYIY-WMZOPIPTSA-N 1 2 342.443 1.078 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(O)cc(F)c1 ZINC000186267145 442500887 /nfs/dbraw/zinc/50/08/87/442500887.db2.gz ALOVHYKCRFXOBN-LBPRGKRZSA-N 1 2 327.363 1.904 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(O)cc(F)c1 ZINC000186267145 442500892 /nfs/dbraw/zinc/50/08/92/442500892.db2.gz ALOVHYKCRFXOBN-LBPRGKRZSA-N 1 2 327.363 1.904 20 30 EDEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178859062 442505791 /nfs/dbraw/zinc/50/57/91/442505791.db2.gz YSNHMZKLVMIEET-UHFFFAOYSA-N 1 2 330.344 1.824 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000191891798 442534959 /nfs/dbraw/zinc/53/49/59/442534959.db2.gz VPLLKEHXULGKSY-CQSZACIVSA-N 1 2 332.423 1.730 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172763141 442538317 /nfs/dbraw/zinc/53/83/17/442538317.db2.gz HFCDIDQTFXZPQJ-GOEBONIOSA-N 1 2 329.400 1.259 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000134950802 442540665 /nfs/dbraw/zinc/54/06/65/442540665.db2.gz JWLRUNOLXHKZQF-OAHLLOKOSA-N 1 2 345.874 1.976 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178995929 442548151 /nfs/dbraw/zinc/54/81/51/442548151.db2.gz ZAVWZAPCRWRVTI-OAHLLOKOSA-N 1 2 342.424 1.819 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000191818775 442517681 /nfs/dbraw/zinc/51/76/81/442517681.db2.gz DVWAWOAEVXXNAG-ZWNOBZJWSA-N 1 2 333.388 1.838 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000191818775 442517686 /nfs/dbraw/zinc/51/76/86/442517686.db2.gz DVWAWOAEVXXNAG-ZWNOBZJWSA-N 1 2 333.388 1.838 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cnn(C)c2)CC1 ZINC000180415589 442599354 /nfs/dbraw/zinc/59/93/54/442599354.db2.gz JOMPPWZDWMKEFR-RDJZCZTQSA-N 1 2 346.479 1.105 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cnn(C)c2)CC1 ZINC000180415589 442599357 /nfs/dbraw/zinc/59/93/57/442599357.db2.gz JOMPPWZDWMKEFR-RDJZCZTQSA-N 1 2 346.479 1.105 20 30 EDEDLO C[C@@H]1C[C@@H](C)CN(C(=O)CN(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000158115946 442647377 /nfs/dbraw/zinc/64/73/77/442647377.db2.gz DNMICFCGCBDEIS-IAGOWNOFSA-N 1 2 336.480 1.039 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265671957 442874406 /nfs/dbraw/zinc/87/44/06/442874406.db2.gz XTVWBHRYFKUYJL-YGRLFVJLSA-N 1 2 334.807 1.701 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265671957 442874412 /nfs/dbraw/zinc/87/44/12/442874412.db2.gz XTVWBHRYFKUYJL-YGRLFVJLSA-N 1 2 334.807 1.701 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](CO)O1 ZINC000249272593 442962914 /nfs/dbraw/zinc/96/29/14/442962914.db2.gz JIQFEEOFZZKIJX-XOKHGSTOSA-N 1 2 329.400 1.135 20 30 EDEDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](CO)O1 ZINC000249272593 442962916 /nfs/dbraw/zinc/96/29/16/442962916.db2.gz JIQFEEOFZZKIJX-XOKHGSTOSA-N 1 2 329.400 1.135 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189689193 442994793 /nfs/dbraw/zinc/99/47/93/442994793.db2.gz HQGAEZDRYMIDJZ-CYBMUJFWSA-N 1 2 330.436 1.170 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000184868357 443089581 /nfs/dbraw/zinc/08/95/81/443089581.db2.gz NHRDYRJJDMSZKU-CYBMUJFWSA-N 1 2 347.423 1.566 20 30 EDEDLO NC(=[NH+]OCC(=O)NC1CC1)c1ccc(OCc2cccnc2)cc1 ZINC000263658926 443235637 /nfs/dbraw/zinc/23/56/37/443235637.db2.gz ANXOWSSGZXMLDM-UHFFFAOYSA-N 1 2 340.383 1.576 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000185430666 443198297 /nfs/dbraw/zinc/19/82/97/443198297.db2.gz JPEUYUWWVNIOMH-INIZCTEOSA-N 1 2 344.459 1.839 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+]1CCOCC1 ZINC000269646911 443377741 /nfs/dbraw/zinc/37/77/41/443377741.db2.gz HVNIWCBCSIDYPV-LSDHHAIUSA-N 1 2 342.443 1.956 20 30 EDEDLO CC(C)(CNc1ccc(C#N)c([N+](=O)[O-])c1)[NH+]1CCS(=O)CC1 ZINC000269649749 443379834 /nfs/dbraw/zinc/37/98/34/443379834.db2.gz VBBPDTLMDRSQKE-UHFFFAOYSA-N 1 2 336.417 1.721 20 30 EDEDLO C[C@@H]1CCCN(c2cc(NCCCc3[nH]nc(N)c3C#N)[nH+]cn2)C1 ZINC000267267247 443399779 /nfs/dbraw/zinc/39/97/79/443399779.db2.gz YNCJETGMHFTCSJ-GFCCVEGCSA-N 1 2 340.435 1.935 20 30 EDEDLO C[C@@H]1CCCN(c2cc(NCCCc3[nH]nc(N)c3C#N)nc[nH+]2)C1 ZINC000267267247 443399786 /nfs/dbraw/zinc/39/97/86/443399786.db2.gz YNCJETGMHFTCSJ-GFCCVEGCSA-N 1 2 340.435 1.935 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270617025 443476552 /nfs/dbraw/zinc/47/65/52/443476552.db2.gz FLDRIPZXHYWGDA-ZIAGYGMSSA-N 1 2 329.404 1.064 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270617025 443476555 /nfs/dbraw/zinc/47/65/55/443476555.db2.gz FLDRIPZXHYWGDA-ZIAGYGMSSA-N 1 2 329.404 1.064 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC000270990641 443486783 /nfs/dbraw/zinc/48/67/83/443486783.db2.gz XZQZRUYDBUPQAN-KRWDZBQOSA-N 1 2 340.427 1.630 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC000270990641 443486790 /nfs/dbraw/zinc/48/67/90/443486790.db2.gz XZQZRUYDBUPQAN-KRWDZBQOSA-N 1 2 340.427 1.630 20 30 EDEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)cn1 ZINC000267411872 443447729 /nfs/dbraw/zinc/44/77/29/443447729.db2.gz RUIHMKUWCKKPMU-IBGZPJMESA-N 1 2 347.422 1.881 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000283069700 443512590 /nfs/dbraw/zinc/51/25/90/443512590.db2.gz USLNABIZEQHJPR-AWEZNQCLSA-N 1 2 347.444 1.500 20 30 EDEDLO CCOCCOC1C[NH+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000273706406 443585055 /nfs/dbraw/zinc/58/50/55/443585055.db2.gz OWCSJZHKCWKHPS-INIZCTEOSA-N 1 2 334.416 1.230 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC3(CNC(=O)C3)CC2)c(C#N)c1C ZINC000267850087 443598077 /nfs/dbraw/zinc/59/80/77/443598077.db2.gz WJWJXGNNFZPLQA-LBPRGKRZSA-N 1 2 344.415 1.697 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC)C1CC1 ZINC000274223169 443598973 /nfs/dbraw/zinc/59/89/73/443598973.db2.gz VOEBTIINXRQONG-QGZVFWFLSA-N 1 2 326.396 1.211 20 30 EDEDLO C#CC[N@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC)C1CC1 ZINC000274223169 443598976 /nfs/dbraw/zinc/59/89/76/443598976.db2.gz VOEBTIINXRQONG-QGZVFWFLSA-N 1 2 326.396 1.211 20 30 EDEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000275932287 443646762 /nfs/dbraw/zinc/64/67/62/443646762.db2.gz INBNETJWPZNSDJ-KGLIPLIRSA-N 1 2 329.400 1.156 20 30 EDEDLO C[C@@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H]1CO ZINC000276016251 443648483 /nfs/dbraw/zinc/64/84/83/443648483.db2.gz JXCYKMXPERLQPB-KYOSRNDESA-N 1 2 340.383 1.214 20 30 EDEDLO C[C@@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H]1CO ZINC000276016251 443648487 /nfs/dbraw/zinc/64/84/87/443648487.db2.gz JXCYKMXPERLQPB-KYOSRNDESA-N 1 2 340.383 1.214 20 30 EDEDLO C[C@H](CC#N)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000276059072 443650188 /nfs/dbraw/zinc/65/01/88/443650188.db2.gz RKOZDMXXKJLDAS-KGLIPLIRSA-N 1 2 344.415 1.437 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)COc2ccccc2C#N)CCO1 ZINC000276232785 443672794 /nfs/dbraw/zinc/67/27/94/443672794.db2.gz KDJVSRNPTJZJIC-PBHICJAKSA-N 1 2 340.383 1.707 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000286874585 443728395 /nfs/dbraw/zinc/72/83/95/443728395.db2.gz YYAIWRDBYXIZDM-MRXNPFEDSA-N 1 2 332.448 1.296 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1 ZINC000286874585 443728401 /nfs/dbraw/zinc/72/84/01/443728401.db2.gz YYAIWRDBYXIZDM-MRXNPFEDSA-N 1 2 332.448 1.296 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc(OCC#N)c1 ZINC000286871900 443728568 /nfs/dbraw/zinc/72/85/68/443728568.db2.gz CXQRBSWSWXRQTE-GOEBONIOSA-N 1 2 344.415 1.916 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CCN1C ZINC000287620551 443752500 /nfs/dbraw/zinc/75/25/00/443752500.db2.gz GQCXWHMXZBKXOU-AWEZNQCLSA-N 1 2 341.375 1.275 20 30 EDEDLO CCn1cc[nH+]c1CNC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000298557340 443799503 /nfs/dbraw/zinc/79/95/03/443799503.db2.gz ZQAMYCRSODBVSX-UHFFFAOYSA-N 1 2 338.415 1.806 20 30 EDEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OC[C@@H]1CCCS(=O)(=O)C1 ZINC000284383161 443774285 /nfs/dbraw/zinc/77/42/85/443774285.db2.gz MBOKSLIHNKCKAK-LBPRGKRZSA-N 1 2 330.837 1.996 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)C1=O ZINC000281275882 443866837 /nfs/dbraw/zinc/86/68/37/443866837.db2.gz IFZJKEICDAIANG-MRXNPFEDSA-N 1 2 344.415 1.302 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)C1=O ZINC000281275882 443866841 /nfs/dbraw/zinc/86/68/41/443866841.db2.gz IFZJKEICDAIANG-MRXNPFEDSA-N 1 2 344.415 1.302 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C(C)C)oc2C)CC1 ZINC000285239607 443908465 /nfs/dbraw/zinc/90/84/65/443908465.db2.gz BRRUHVGSJPUHGS-UHFFFAOYSA-N 1 2 345.443 1.609 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C(C)C)oc2C)CC1 ZINC000285239607 443908468 /nfs/dbraw/zinc/90/84/68/443908468.db2.gz BRRUHVGSJPUHGS-UHFFFAOYSA-N 1 2 345.443 1.609 20 30 EDEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1)C(C)C ZINC000281628118 443963666 /nfs/dbraw/zinc/96/36/66/443963666.db2.gz VOCJSSGVASLQBX-MRXNPFEDSA-N 1 2 343.427 1.231 20 30 EDEDLO COc1ccc(CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C#N)cc1OC ZINC000299144826 443966138 /nfs/dbraw/zinc/96/61/38/443966138.db2.gz BPKPZHSFYPMCFY-UONOGXRCSA-N 1 2 333.432 1.842 20 30 EDEDLO COc1ccc(CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C#N)cc1OC ZINC000299144826 443966142 /nfs/dbraw/zinc/96/61/42/443966142.db2.gz BPKPZHSFYPMCFY-UONOGXRCSA-N 1 2 333.432 1.842 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277804663 444044079 /nfs/dbraw/zinc/04/40/79/444044079.db2.gz OZWWOKTZFOWBGP-GHMZBOCLSA-N 1 2 328.338 1.746 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277804663 444044083 /nfs/dbraw/zinc/04/40/83/444044083.db2.gz OZWWOKTZFOWBGP-GHMZBOCLSA-N 1 2 328.338 1.746 20 30 EDEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000285602128 444044413 /nfs/dbraw/zinc/04/44/13/444044413.db2.gz MEENYSVVQRPFME-HNNXBMFYSA-N 1 2 346.456 1.667 20 30 EDEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000285602128 444044416 /nfs/dbraw/zinc/04/44/16/444044416.db2.gz MEENYSVVQRPFME-HNNXBMFYSA-N 1 2 346.456 1.667 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1F ZINC000293581500 444060222 /nfs/dbraw/zinc/06/02/22/444060222.db2.gz WYZYOPFPZCBCST-ZDUSSCGKSA-N 1 2 334.376 1.747 20 30 EDEDLO C#CCOc1cccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000277925863 444064621 /nfs/dbraw/zinc/06/46/21/444064621.db2.gz FBWCBDCTRXHWNQ-UHFFFAOYSA-N 1 2 329.400 1.685 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NCCCCC#N)nc2)CC1 ZINC000301216996 444155958 /nfs/dbraw/zinc/15/59/58/444155958.db2.gz ZFCXEBAKFRALTG-UHFFFAOYSA-N 1 2 337.449 1.123 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)CCN1C ZINC000296120797 444206153 /nfs/dbraw/zinc/20/61/53/444206153.db2.gz VZORILLSKGWBAM-KSSFIOAISA-N 1 2 327.432 1.709 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000296891400 444261039 /nfs/dbraw/zinc/26/10/39/444261039.db2.gz OEHURVMPAWQWIZ-UHFFFAOYSA-N 1 2 340.343 1.705 20 30 EDEDLO Cn1ncc2c1nc(NC1CCN(c3ccc(C#N)cn3)CC1)[nH+]c2N ZINC000302873759 444228458 /nfs/dbraw/zinc/22/84/58/444228458.db2.gz DJTHTXPBVVQVKG-UHFFFAOYSA-N 1 2 349.402 1.293 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C1CC1 ZINC000577773921 321681987 /nfs/dbraw/zinc/68/19/87/321681987.db2.gz HAZVFBMMWBZDHY-HNNXBMFYSA-N 1 2 330.413 1.862 20 30 EDEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1CO)C1CCCCC1 ZINC000328778252 444349605 /nfs/dbraw/zinc/34/96/05/444349605.db2.gz LRRQBQVPBPOXDL-HOTGVXAUSA-N 1 2 348.447 1.841 20 30 EDEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1CO)C1CCCCC1 ZINC000328778252 444349609 /nfs/dbraw/zinc/34/96/09/444349609.db2.gz LRRQBQVPBPOXDL-HOTGVXAUSA-N 1 2 348.447 1.841 20 30 EDEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328820144 444363773 /nfs/dbraw/zinc/36/37/73/444363773.db2.gz QSALXFNWJKBJDH-IYBDPMFKSA-N 1 2 346.431 1.586 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000340221886 444372406 /nfs/dbraw/zinc/37/24/06/444372406.db2.gz KCOKTXBUZWQUTF-NVXWUHKLSA-N 1 2 342.443 1.759 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000340221886 444372408 /nfs/dbraw/zinc/37/24/08/444372408.db2.gz KCOKTXBUZWQUTF-NVXWUHKLSA-N 1 2 342.443 1.759 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3COCCN3C)c[nH+]2)C[C@@H](C)O1 ZINC000328928601 444408163 /nfs/dbraw/zinc/40/81/63/444408163.db2.gz GQEWRORRSWMPHW-FMKPAKJESA-N 1 2 348.447 1.482 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+][C@@H]1CCc3nc(C)nn3C1)CCC2 ZINC000328651921 444414748 /nfs/dbraw/zinc/41/47/48/444414748.db2.gz KCUCXJKDBAUAIZ-UONOGXRCSA-N 1 2 343.435 1.487 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N[C@@H]1CCc3nc(C)nn3C1)CCC2 ZINC000328651921 444414750 /nfs/dbraw/zinc/41/47/50/444414750.db2.gz KCUCXJKDBAUAIZ-UONOGXRCSA-N 1 2 343.435 1.487 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCCCNC1=O)C1CCOCC1 ZINC000328943588 444415787 /nfs/dbraw/zinc/41/57/87/444415787.db2.gz IYHSNUOOTNJCJD-UONOGXRCSA-N 1 2 349.435 1.900 20 30 EDEDLO Cc1c(CC(=O)NC[C@H]2C[N@H+](C)CCO2)nnn1-c1ccc(C)cc1 ZINC000328662510 444419358 /nfs/dbraw/zinc/41/93/58/444419358.db2.gz APUUFESPZYLXIV-INIZCTEOSA-N 1 2 343.431 1.714 20 30 EDEDLO Cc1c(CC(=O)NC[C@H]2C[N@@H+](C)CCO2)nnn1-c1ccc(C)cc1 ZINC000328662510 444419362 /nfs/dbraw/zinc/41/93/62/444419362.db2.gz APUUFESPZYLXIV-INIZCTEOSA-N 1 2 343.431 1.714 20 30 EDEDLO C[C@]1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCC(=O)NC1 ZINC000328674235 444425033 /nfs/dbraw/zinc/42/50/33/444425033.db2.gz PVHLLVLEYXFNIG-JKSUJKDBSA-N 1 2 341.477 1.907 20 30 EDEDLO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328614118 444393759 /nfs/dbraw/zinc/39/37/59/444393759.db2.gz QWMRCDANCYEMCP-STQMWFEESA-N 1 2 329.408 1.699 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)CSCc3ccc(C#N)cc3)C[C@H]21 ZINC000328907152 444396497 /nfs/dbraw/zinc/39/64/97/444396497.db2.gz LHMSZVPUOFUEJP-SJORKVTESA-N 1 2 345.468 1.723 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)CSCc3ccc(C#N)cc3)C[C@H]21 ZINC000328907152 444396503 /nfs/dbraw/zinc/39/65/03/444396503.db2.gz LHMSZVPUOFUEJP-SJORKVTESA-N 1 2 345.468 1.723 20 30 EDEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000298054604 444398938 /nfs/dbraw/zinc/39/89/38/444398938.db2.gz QPLNJXNXGYEIBT-UHFFFAOYSA-N 1 2 340.427 1.983 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CSc1ccc(C#N)cc1 ZINC000340591906 444452737 /nfs/dbraw/zinc/45/27/37/444452737.db2.gz SJAUFZGNMGQYCJ-AWEZNQCLSA-N 1 2 344.396 1.274 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CSc1ccc(C#N)cc1 ZINC000340591906 444452740 /nfs/dbraw/zinc/45/27/40/444452740.db2.gz SJAUFZGNMGQYCJ-AWEZNQCLSA-N 1 2 344.396 1.274 20 30 EDEDLO Cc1ccn(-c2ccc(NC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)cc2)n1 ZINC000329104328 444473194 /nfs/dbraw/zinc/47/31/94/444473194.db2.gz DLUWWTJVILGSMN-QGZVFWFLSA-N 1 2 342.447 1.752 20 30 EDEDLO Cc1ccn(-c2ccc(NC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)cc2)n1 ZINC000329104328 444473195 /nfs/dbraw/zinc/47/31/95/444473195.db2.gz DLUWWTJVILGSMN-QGZVFWFLSA-N 1 2 342.447 1.752 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnc4c(c3)CCCC4)C[C@H]21 ZINC000328973077 444429799 /nfs/dbraw/zinc/42/97/99/444429799.db2.gz PGEYVOQUYKPONX-IAGOWNOFSA-N 1 2 330.432 1.911 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnc4c(c3)CCCC4)C[C@H]21 ZINC000328973077 444429804 /nfs/dbraw/zinc/42/98/04/444429804.db2.gz PGEYVOQUYKPONX-IAGOWNOFSA-N 1 2 330.432 1.911 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000331194414 444438708 /nfs/dbraw/zinc/43/87/08/444438708.db2.gz SOBPCFRTJVJVLG-UHFFFAOYSA-N 1 2 335.433 1.490 20 30 EDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@]2(CCOC2)O1 ZINC000331554980 444477486 /nfs/dbraw/zinc/47/74/86/444477486.db2.gz GBKJPXFTCWSQRE-LMSBXDPUSA-N 1 2 337.464 1.699 20 30 EDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@]2(CCOC2)O1 ZINC000331554980 444477487 /nfs/dbraw/zinc/47/74/87/444477487.db2.gz GBKJPXFTCWSQRE-LMSBXDPUSA-N 1 2 337.464 1.699 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000332031297 444496822 /nfs/dbraw/zinc/49/68/22/444496822.db2.gz SAMRUJAJJWHGDP-XJKSGUPXSA-N 1 2 330.423 1.702 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(CC(F)F)CC1 ZINC000332031297 444496824 /nfs/dbraw/zinc/49/68/24/444496824.db2.gz SAMRUJAJJWHGDP-XJKSGUPXSA-N 1 2 330.423 1.702 20 30 EDEDLO Cc1noc(C)c1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000329196480 444498236 /nfs/dbraw/zinc/49/82/36/444498236.db2.gz SYICPYLBFNYCQB-HNNXBMFYSA-N 1 2 340.449 1.825 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000329235082 444508838 /nfs/dbraw/zinc/50/88/38/444508838.db2.gz NEYBYZHQTGDYAW-QBPKDAKJSA-N 1 2 339.480 1.901 20 30 EDEDLO C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000332305337 444509432 /nfs/dbraw/zinc/50/94/32/444509432.db2.gz WEOREKMBOURIRC-OWCLPIDISA-N 1 2 346.475 1.612 20 30 EDEDLO C=C(C)CN(CC)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000340786733 444510113 /nfs/dbraw/zinc/51/01/13/444510113.db2.gz LKXDLWCDGGBXPC-CQSZACIVSA-N 1 2 333.436 1.519 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)Nc2ncn(C3CCCCC3)n2)CC1 ZINC000332676266 444526402 /nfs/dbraw/zinc/52/64/02/444526402.db2.gz QKXLRCUAHGVLDR-UHFFFAOYSA-N 1 2 345.451 2.235 20 30 EDEDLO Cc1cn2cc(NC(=O)N3CCO[C@H](c4noc(C)n4)C3)ccc2[nH+]1 ZINC000329385132 444558386 /nfs/dbraw/zinc/55/83/86/444558386.db2.gz PVGVKOHQCXCKGI-ZDUSSCGKSA-N 1 2 342.359 1.953 20 30 EDEDLO COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000329408790 444567297 /nfs/dbraw/zinc/56/72/97/444567297.db2.gz DIKMVESNMLBWNK-HOCLYGCPSA-N 1 2 333.432 1.557 20 30 EDEDLO COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000329408790 444567300 /nfs/dbraw/zinc/56/73/00/444567300.db2.gz DIKMVESNMLBWNK-HOCLYGCPSA-N 1 2 333.432 1.557 20 30 EDEDLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000329329724 444537028 /nfs/dbraw/zinc/53/70/28/444537028.db2.gz LGWOZPBSFIJKRY-XHSDSOJGSA-N 1 2 344.415 1.610 20 30 EDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329355605 444547227 /nfs/dbraw/zinc/54/72/27/444547227.db2.gz VUTXRBNPGCAIJT-AWEZNQCLSA-N 1 2 348.451 1.446 20 30 EDEDLO CC(C)c1nc2n(n1)C[C@@H]([NH+]=C([O-])N(C)Cc1[nH+]ccn1C)CC2 ZINC000329360557 444549491 /nfs/dbraw/zinc/54/94/91/444549491.db2.gz GVWIYHIEEKTJEA-LBPRGKRZSA-N 1 2 331.424 1.496 20 30 EDEDLO Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000338183164 444552683 /nfs/dbraw/zinc/55/26/83/444552683.db2.gz YHXXHYWKESLNHQ-KUHUBIRLSA-N 1 2 335.411 1.882 20 30 EDEDLO Cc1nn(C)c(C)c1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000338183164 444552687 /nfs/dbraw/zinc/55/26/87/444552687.db2.gz YHXXHYWKESLNHQ-KUHUBIRLSA-N 1 2 335.411 1.882 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000332964714 444612844 /nfs/dbraw/zinc/61/28/44/444612844.db2.gz QPARTTYNORDYIJ-KXBFYZLASA-N 1 2 349.475 1.987 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000332964714 444612847 /nfs/dbraw/zinc/61/28/47/444612847.db2.gz QPARTTYNORDYIJ-KXBFYZLASA-N 1 2 349.475 1.987 20 30 EDEDLO C[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)N1CCCCC1=O ZINC000329531032 444617290 /nfs/dbraw/zinc/61/72/90/444617290.db2.gz WFVVIECFGFZCHE-ZBFHGGJFSA-N 1 2 337.464 1.987 20 30 EDEDLO C[C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)N1CCCCC1=O ZINC000329531032 444617294 /nfs/dbraw/zinc/61/72/94/444617294.db2.gz WFVVIECFGFZCHE-ZBFHGGJFSA-N 1 2 337.464 1.987 20 30 EDEDLO CN(C)c1ncc(CN(C)C(=O)NCc2cn3c([nH+]2)CCCC3)cn1 ZINC000329541885 444621450 /nfs/dbraw/zinc/62/14/50/444621450.db2.gz NNUFGNXENBTOHE-UHFFFAOYSA-N 1 2 343.435 1.621 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000341000060 444623407 /nfs/dbraw/zinc/62/34/07/444623407.db2.gz QDJOCXQDKISRSJ-UHFFFAOYSA-N 1 2 331.416 1.824 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000341000060 444623409 /nfs/dbraw/zinc/62/34/09/444623409.db2.gz QDJOCXQDKISRSJ-UHFFFAOYSA-N 1 2 331.416 1.824 20 30 EDEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCCS1(=O)=O ZINC000329548540 444624678 /nfs/dbraw/zinc/62/46/78/444624678.db2.gz CGKUCVVFXASEBV-ZDUSSCGKSA-N 1 2 325.434 1.686 20 30 EDEDLO O=C(CNC(=O)C1CCCCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329648758 444664551 /nfs/dbraw/zinc/66/45/51/444664551.db2.gz FDFLGTSYIDKRDP-INIZCTEOSA-N 1 2 337.464 1.846 20 30 EDEDLO O=C(C[N@H+]1CCSC[C@H]1CO)Nc1cccc(N2CCCC2=O)c1 ZINC000329657251 444668919 /nfs/dbraw/zinc/66/89/19/444668919.db2.gz NCWOUUGTRCWYTM-OAHLLOKOSA-N 1 2 349.456 1.811 20 30 EDEDLO O=C(C[N@@H+]1CCSC[C@H]1CO)Nc1cccc(N2CCCC2=O)c1 ZINC000329657251 444668921 /nfs/dbraw/zinc/66/89/21/444668921.db2.gz NCWOUUGTRCWYTM-OAHLLOKOSA-N 1 2 349.456 1.811 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)C[C@@H]21 ZINC000329610265 444647649 /nfs/dbraw/zinc/64/76/49/444647649.db2.gz NSRQYNSLGWHSAP-XMTFNYHQSA-N 1 2 345.443 1.693 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@H]3CCO[C@@H]3c3ccccc3)C[C@@H]21 ZINC000329610265 444647653 /nfs/dbraw/zinc/64/76/53/444647653.db2.gz NSRQYNSLGWHSAP-XMTFNYHQSA-N 1 2 345.443 1.693 20 30 EDEDLO [O-]C(NC1CCN(CC(F)(F)F)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329749636 444700765 /nfs/dbraw/zinc/70/07/65/444700765.db2.gz HOFNXQHAGICQEC-LBPRGKRZSA-N 1 2 345.369 1.728 20 30 EDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1CCN(CC(F)(F)F)CC1 ZINC000329749636 444700770 /nfs/dbraw/zinc/70/07/70/444700770.db2.gz HOFNXQHAGICQEC-LBPRGKRZSA-N 1 2 345.369 1.728 20 30 EDEDLO Cc1cccc2c1OC[C@H](NC(=O)N1C[C@H]3OCC[N@@H+](C)[C@H]3C1)C2 ZINC000329750806 444702448 /nfs/dbraw/zinc/70/24/48/444702448.db2.gz VFHBCRQCODMOIH-OWCLPIDISA-N 1 2 331.416 1.227 20 30 EDEDLO Cc1cccc2c1OC[C@H](NC(=O)N1C[C@H]3OCC[N@H+](C)[C@H]3C1)C2 ZINC000329750806 444702449 /nfs/dbraw/zinc/70/24/49/444702449.db2.gz VFHBCRQCODMOIH-OWCLPIDISA-N 1 2 331.416 1.227 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3C[C@H]4CCC[C@@H]43)ccn2)CC1 ZINC000329845835 444738046 /nfs/dbraw/zinc/73/80/46/444738046.db2.gz OTAYBCCOUDZWOM-CJNGLKHVSA-N 1 2 343.431 1.499 20 30 EDEDLO CC1(C)C(=O)NC(=O)N1CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000329849502 444739415 /nfs/dbraw/zinc/73/94/15/444739415.db2.gz NSUSCYZNHPEBKN-UHFFFAOYSA-N 1 2 326.397 1.224 20 30 EDEDLO CC1(C)C(=O)NC(=O)N1CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000329849502 444739419 /nfs/dbraw/zinc/73/94/19/444739419.db2.gz NSUSCYZNHPEBKN-UHFFFAOYSA-N 1 2 326.397 1.224 20 30 EDEDLO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC[N@H+]1C ZINC000329858015 444742062 /nfs/dbraw/zinc/74/20/62/444742062.db2.gz VTCNFSAYPBLRBL-NEPJUHHUSA-N 1 2 337.445 1.586 20 30 EDEDLO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC[N@@H+]1C ZINC000329858015 444742067 /nfs/dbraw/zinc/74/20/67/444742067.db2.gz VTCNFSAYPBLRBL-NEPJUHHUSA-N 1 2 337.445 1.586 20 30 EDEDLO CC(C)C[N@@H+]1CC[C@H](C[NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329901399 444760233 /nfs/dbraw/zinc/76/02/33/444760233.db2.gz GWSOWYPPVUYFEF-JKSUJKDBSA-N 1 2 333.480 1.927 20 30 EDEDLO CC(C)C[N@H+]1CC[C@H](C[NH+]=C([O-])NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329901399 444760238 /nfs/dbraw/zinc/76/02/38/444760238.db2.gz GWSOWYPPVUYFEF-JKSUJKDBSA-N 1 2 333.480 1.927 20 30 EDEDLO C=CC[C@H](C)NC(=O)N(C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000341287014 444762369 /nfs/dbraw/zinc/76/23/69/444762369.db2.gz DEBCYEISZFDUOS-RRFJBIMHSA-N 1 2 337.443 1.939 20 30 EDEDLO COc1ccc(Cl)cc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329906850 444762724 /nfs/dbraw/zinc/76/27/24/444762724.db2.gz KKUDOSHBOGNVJO-HIFRSBDPSA-N 1 2 339.823 1.777 20 30 EDEDLO COc1ccc(Cl)cc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329906850 444762727 /nfs/dbraw/zinc/76/27/27/444762727.db2.gz KKUDOSHBOGNVJO-HIFRSBDPSA-N 1 2 339.823 1.777 20 30 EDEDLO Cc1csc([C@H](NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C2CC2)n1 ZINC000329935760 444776497 /nfs/dbraw/zinc/77/64/97/444776497.db2.gz RDKLERAPZUPFOA-MELADBBJSA-N 1 2 336.461 1.831 20 30 EDEDLO Cc1csc([C@H](NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C2CC2)n1 ZINC000329935760 444776503 /nfs/dbraw/zinc/77/65/03/444776503.db2.gz RDKLERAPZUPFOA-MELADBBJSA-N 1 2 336.461 1.831 20 30 EDEDLO C[C@@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)n1cnc(C#N)n1 ZINC000336892839 444837906 /nfs/dbraw/zinc/83/79/06/444837906.db2.gz PCSJMRARCARFOM-ZDUSSCGKSA-N 1 2 339.403 1.412 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)N(C)C[C@H](C)C#N)c1C ZINC000336905448 444844606 /nfs/dbraw/zinc/84/46/06/444844606.db2.gz DOUYTMQDPHTOJV-LLVKDONJSA-N 1 2 340.449 1.475 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000341466948 444846655 /nfs/dbraw/zinc/84/66/55/444846655.db2.gz YLPOUOIALYDHSD-AWEZNQCLSA-N 1 2 347.415 1.356 20 30 EDEDLO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000330115886 444850486 /nfs/dbraw/zinc/85/04/86/444850486.db2.gz UNGDPZUYEIKFNZ-CHWSQXEVSA-N 1 2 332.466 1.410 20 30 EDEDLO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000330115886 444850489 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C=C(C)CN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000339861311 445175542 /nfs/dbraw/zinc/17/55/42/445175542.db2.gz PBALZQRGMNSCFX-HNNXBMFYSA-N 1 2 344.390 1.799 20 30 EDEDLO C[C@H](NC(=O)Nc1ccnc(C(=O)N(C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000330873901 445176158 /nfs/dbraw/zinc/17/61/58/445176158.db2.gz SRAFENYNPYIRFA-STQMWFEESA-N 1 2 349.435 1.219 20 30 EDEDLO C[C@H](COCC(F)(F)F)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000330882569 445179292 /nfs/dbraw/zinc/17/92/92/445179292.db2.gz CTZLDSGAWBNUIL-NEPJUHHUSA-N 1 2 339.358 1.274 20 30 EDEDLO C[C@@]([NH2+]CC(=O)NCc1cccc(C#N)c1)(C(N)=O)c1ccccc1 ZINC000337640419 445182113 /nfs/dbraw/zinc/18/21/13/445182113.db2.gz FIQISCLDCRJWBU-IBGZPJMESA-N 1 2 336.395 1.165 20 30 EDEDLO N#CCCCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000339937082 445184915 /nfs/dbraw/zinc/18/49/15/445184915.db2.gz HRMNBHGFJSPTGR-UHFFFAOYSA-N 1 2 329.404 1.108 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337662752 445192362 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/nfs/dbraw/zinc/29/22/90/445292290.db2.gz LFSMEQQTSLANJB-CYBMUJFWSA-N 1 2 335.408 1.328 20 30 EDEDLO C=CCSc1ccccc1C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000362390133 445357577 /nfs/dbraw/zinc/35/75/77/445357577.db2.gz RVXRPKIOIBGUEE-UHFFFAOYSA-N 1 2 347.484 1.859 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)CCC#N ZINC000362606216 445459920 /nfs/dbraw/zinc/45/99/20/445459920.db2.gz MCJVKKQCPRZXLM-HNNXBMFYSA-N 1 2 344.419 1.139 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)CCC#N ZINC000362606216 445459924 /nfs/dbraw/zinc/45/99/24/445459924.db2.gz MCJVKKQCPRZXLM-HNNXBMFYSA-N 1 2 344.419 1.139 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1C ZINC000352933422 445566239 /nfs/dbraw/zinc/56/62/39/445566239.db2.gz HFRIBDYJBRWHSC-AWEZNQCLSA-N 1 2 329.466 1.053 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1C ZINC000352933422 445566245 /nfs/dbraw/zinc/56/62/45/445566245.db2.gz HFRIBDYJBRWHSC-AWEZNQCLSA-N 1 2 329.466 1.053 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CCCCC1 ZINC000352687661 445548348 /nfs/dbraw/zinc/54/83/48/445548348.db2.gz ZWNIHZCXLUUSKR-CHWSQXEVSA-N 1 2 347.381 1.822 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CCCCC1 ZINC000352687661 445548353 /nfs/dbraw/zinc/54/83/53/445548353.db2.gz ZWNIHZCXLUUSKR-CHWSQXEVSA-N 1 2 347.381 1.822 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000360301267 445685609 /nfs/dbraw/zinc/68/56/09/445685609.db2.gz RQULMOPJPQTGNZ-HNNXBMFYSA-N 1 2 338.496 1.925 20 30 EDEDLO C=CCCCCNC(=O)NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000349913956 445720166 /nfs/dbraw/zinc/72/01/66/445720166.db2.gz RWRWSKCXILQMMY-CVEARBPZSA-N 1 2 337.443 1.988 20 30 EDEDLO C=CCCCCNC(=O)NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000349913956 445720170 /nfs/dbraw/zinc/72/01/70/445720170.db2.gz RWRWSKCXILQMMY-CVEARBPZSA-N 1 2 337.443 1.988 20 30 EDEDLO C[C@H]1CCC[C@@](C#N)(NC(=O)c2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000360436912 445708339 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EDEDLO CN1CC[N@@H+](C)C[C@H]1c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000350064253 445760009 /nfs/dbraw/zinc/76/00/09/445760009.db2.gz IHMHTKXINUELBE-HOTGVXAUSA-N 1 2 336.399 1.709 20 30 EDEDLO Cn1nccc1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356430798 445786233 /nfs/dbraw/zinc/78/62/33/445786233.db2.gz RXFCGDNEJSYZBG-SWLSCSKDSA-N 1 2 348.451 1.793 20 30 EDEDLO Cn1nccc1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356430798 445786237 /nfs/dbraw/zinc/78/62/37/445786237.db2.gz RXFCGDNEJSYZBG-SWLSCSKDSA-N 1 2 348.451 1.793 20 30 EDEDLO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356430800 445786513 /nfs/dbraw/zinc/78/65/13/445786513.db2.gz RXFCGDNEJSYZBG-WFASDCNBSA-N 1 2 348.451 1.793 20 30 EDEDLO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356430800 445786517 /nfs/dbraw/zinc/78/65/17/445786517.db2.gz RXFCGDNEJSYZBG-WFASDCNBSA-N 1 2 348.451 1.793 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356474905 445810705 /nfs/dbraw/zinc/81/07/05/445810705.db2.gz LQMCQTMSJMPSMH-DYVFJYSZSA-N 1 2 332.452 1.417 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356474905 445810706 /nfs/dbraw/zinc/81/07/06/445810706.db2.gz LQMCQTMSJMPSMH-DYVFJYSZSA-N 1 2 332.452 1.417 20 30 EDEDLO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000358955758 445863493 /nfs/dbraw/zinc/86/34/93/445863493.db2.gz RSYWBNIWXYWJEG-MRXNPFEDSA-N 1 2 331.416 1.684 20 30 EDEDLO CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000358955758 445863495 /nfs/dbraw/zinc/86/34/95/445863495.db2.gz RSYWBNIWXYWJEG-MRXNPFEDSA-N 1 2 331.416 1.684 20 30 EDEDLO N#Cc1ccc(OC2CN(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)C2)cc1 ZINC000366126711 446029829 /nfs/dbraw/zinc/02/98/29/446029829.db2.gz IVXJBRGZPLFKEU-ZDUSSCGKSA-N 1 2 337.383 1.611 20 30 EDEDLO N#Cc1ccc(OC2CN(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)C2)cc1 ZINC000366126711 446029836 /nfs/dbraw/zinc/02/98/36/446029836.db2.gz IVXJBRGZPLFKEU-ZDUSSCGKSA-N 1 2 337.383 1.611 20 30 EDEDLO Cc1nc2cncc(N3CC[NH+](CC#Cc4ccccc4)CC3)n2n1 ZINC000361851248 446005663 /nfs/dbraw/zinc/00/56/63/446005663.db2.gz VZZBWVULNYUUCA-UHFFFAOYSA-N 1 2 332.411 1.606 20 30 EDEDLO C=CCNC(=O)c1cccc(-c2noc([C@@H]3C[N@H+](C)CCO3)n2)c1 ZINC000351221370 446012268 /nfs/dbraw/zinc/01/22/68/446012268.db2.gz NFDQQIKCLJTNPK-AWEZNQCLSA-N 1 2 328.372 1.656 20 30 EDEDLO C=CCNC(=O)c1cccc(-c2noc([C@@H]3C[N@@H+](C)CCO3)n2)c1 ZINC000351221370 446012272 /nfs/dbraw/zinc/01/22/72/446012272.db2.gz NFDQQIKCLJTNPK-AWEZNQCLSA-N 1 2 328.372 1.656 20 30 EDEDLO C#CC[C@H](C)NC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000369637427 446138625 /nfs/dbraw/zinc/13/86/25/446138625.db2.gz IXYSKBOJWQTEPX-ZFWWWQNUSA-N 1 2 333.436 1.786 20 30 EDEDLO C#CC[C@H](C)NC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000369637427 446138632 /nfs/dbraw/zinc/13/86/32/446138632.db2.gz IXYSKBOJWQTEPX-ZFWWWQNUSA-N 1 2 333.436 1.786 20 30 EDEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000373205871 446096008 /nfs/dbraw/zinc/09/60/08/446096008.db2.gz USSHLAMQPJIIEX-NVXWUHKLSA-N 1 2 332.400 1.980 20 30 EDEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000373205871 446096011 /nfs/dbraw/zinc/09/60/11/446096011.db2.gz USSHLAMQPJIIEX-NVXWUHKLSA-N 1 2 332.400 1.980 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000361966499 446114811 /nfs/dbraw/zinc/11/48/11/446114811.db2.gz YBQXXMBNKUCOMU-ZDUSSCGKSA-N 1 2 346.412 1.619 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000369405520 446116548 /nfs/dbraw/zinc/11/65/48/446116548.db2.gz BOBXTFNVHLGZCH-YKTARERQSA-N 1 2 349.475 1.986 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000369405520 446116551 /nfs/dbraw/zinc/11/65/51/446116551.db2.gz BOBXTFNVHLGZCH-YKTARERQSA-N 1 2 349.475 1.986 20 30 EDEDLO CCCN(CC#N)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000369409973 446118711 /nfs/dbraw/zinc/11/87/11/446118711.db2.gz ADVHUNQQKUWGEU-GOSISDBHSA-N 1 2 344.459 1.239 20 30 EDEDLO CCCN(CC#N)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000369409973 446118717 /nfs/dbraw/zinc/11/87/17/446118717.db2.gz ADVHUNQQKUWGEU-GOSISDBHSA-N 1 2 344.459 1.239 20 30 EDEDLO CC(C)(CCC#N)CNC(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000366282385 446126419 /nfs/dbraw/zinc/12/64/19/446126419.db2.gz NXCUYBGRCGVOEH-UHFFFAOYSA-N 1 2 333.436 1.275 20 30 EDEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)C#Cc2ccccc2)CC1 ZINC000370014061 446174480 /nfs/dbraw/zinc/17/44/80/446174480.db2.gz YDFNVYGFWNVFMS-UHFFFAOYSA-N 1 2 327.428 1.097 20 30 EDEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)C#Cc2ccccc2)CC1 ZINC000370014061 446174486 /nfs/dbraw/zinc/17/44/86/446174486.db2.gz YDFNVYGFWNVFMS-UHFFFAOYSA-N 1 2 327.428 1.097 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000369681375 446146359 /nfs/dbraw/zinc/14/63/59/446146359.db2.gz LBHAQQUAGPVJRK-BZUAXINKSA-N 1 2 332.448 1.607 20 30 EDEDLO N#Cc1cccc(C#N)c1NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000365532266 446242925 /nfs/dbraw/zinc/24/29/25/446242925.db2.gz INPOGSOVHRLRBB-SFHVURJKSA-N 1 2 326.400 1.723 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@]2(CCOC2)O1 ZINC000366571859 446265197 /nfs/dbraw/zinc/26/51/97/446265197.db2.gz LMIVNKRTABDTLI-LPHOPBHVSA-N 1 2 349.475 1.941 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@]2(CCOC2)O1 ZINC000366571859 446265202 /nfs/dbraw/zinc/26/52/02/446265202.db2.gz LMIVNKRTABDTLI-LPHOPBHVSA-N 1 2 349.475 1.941 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000366580687 446267357 /nfs/dbraw/zinc/26/73/57/446267357.db2.gz AMLOPZFOSPOTEY-KBXCAEBGSA-N 1 2 329.400 1.054 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000366580687 446267361 /nfs/dbraw/zinc/26/73/61/446267361.db2.gz AMLOPZFOSPOTEY-KBXCAEBGSA-N 1 2 329.400 1.054 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000370445522 446282172 /nfs/dbraw/zinc/28/21/72/446282172.db2.gz VOFZFTFENJNLJV-CQSZACIVSA-N 1 2 328.351 1.225 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000370445522 446282176 /nfs/dbraw/zinc/28/21/76/446282176.db2.gz VOFZFTFENJNLJV-CQSZACIVSA-N 1 2 328.351 1.225 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365853712 446371396 /nfs/dbraw/zinc/37/13/96/446371396.db2.gz OIDKTFFNTOBWAA-QGZVFWFLSA-N 1 2 331.420 1.374 20 30 EDEDLO CN(C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1 ZINC000366842154 446378041 /nfs/dbraw/zinc/37/80/41/446378041.db2.gz AWXJCPBPVKITML-UHFFFAOYSA-N 1 2 326.404 1.720 20 30 EDEDLO CN(C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1 ZINC000366842154 446378047 /nfs/dbraw/zinc/37/80/47/446378047.db2.gz AWXJCPBPVKITML-UHFFFAOYSA-N 1 2 326.404 1.720 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CCC[N@@H+](CC(=O)NCC)CC1)OCC ZINC000366847197 446380572 /nfs/dbraw/zinc/38/05/72/446380572.db2.gz GUESNQHWTAOEBM-OAHLLOKOSA-N 1 2 325.453 1.028 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CCC[N@H+](CC(=O)NCC)CC1)OCC ZINC000366847197 446380577 /nfs/dbraw/zinc/38/05/77/446380577.db2.gz GUESNQHWTAOEBM-OAHLLOKOSA-N 1 2 325.453 1.028 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1=O ZINC000366849417 446381268 /nfs/dbraw/zinc/38/12/68/446381268.db2.gz QUDXOKSBLILXQF-ZIAGYGMSSA-N 1 2 331.420 1.189 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1=O ZINC000367015381 446463491 /nfs/dbraw/zinc/46/34/91/446463491.db2.gz JICWWIXTNSCNFY-OAGGEKHMSA-N 1 2 342.443 1.399 20 30 EDEDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 ZINC000453583543 446563653 /nfs/dbraw/zinc/56/36/53/446563653.db2.gz KDYMUALUAOKKKX-UHFFFAOYSA-N 1 2 344.415 1.448 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCc1cccc(C#N)c1 ZINC000376570673 446583811 /nfs/dbraw/zinc/58/38/11/446583811.db2.gz VVKABSMXSBZIIR-MAUKXSAKSA-N 1 2 342.443 1.605 20 30 EDEDLO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000411729115 446660291 /nfs/dbraw/zinc/66/02/91/446660291.db2.gz UQOHNBHNEUOMDM-HBNTYKKESA-N 1 2 327.372 1.433 20 30 EDEDLO C[C@@H](CCC#N)[N@H+]1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000411729115 446660300 /nfs/dbraw/zinc/66/03/00/446660300.db2.gz UQOHNBHNEUOMDM-HBNTYKKESA-N 1 2 327.372 1.433 20 30 EDEDLO C[N@@H+]1CC[C@H]2CCN(CCS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1 ZINC000375245953 446666367 /nfs/dbraw/zinc/66/63/67/446666367.db2.gz VYUFNKZXJKDVOQ-DOTOQJQBSA-N 1 2 333.457 1.358 20 30 EDEDLO C[N@H+]1CC[C@H]2CCN(CCS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1 ZINC000375245953 446666371 /nfs/dbraw/zinc/66/63/71/446666371.db2.gz VYUFNKZXJKDVOQ-DOTOQJQBSA-N 1 2 333.457 1.358 20 30 EDEDLO CN1CC[C@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1 ZINC000375245953 446666378 /nfs/dbraw/zinc/66/63/78/446666378.db2.gz VYUFNKZXJKDVOQ-DOTOQJQBSA-N 1 2 333.457 1.358 20 30 EDEDLO CN1CC[C@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1 ZINC000375245953 446666388 /nfs/dbraw/zinc/66/63/88/446666388.db2.gz VYUFNKZXJKDVOQ-DOTOQJQBSA-N 1 2 333.457 1.358 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)c2cc(F)ccc2C[NH2+]1 ZINC000420454678 446633066 /nfs/dbraw/zinc/63/30/66/446633066.db2.gz DLCDIICZJBKNSL-NSHDSACASA-N 1 2 346.387 1.779 20 30 EDEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3cncc(C#N)n3)CC2)CC1 ZINC000420581944 446689015 /nfs/dbraw/zinc/68/90/15/446689015.db2.gz HSGQNBQHIZRCHI-UHFFFAOYSA-N 1 2 342.447 1.165 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000437595691 446754005 /nfs/dbraw/zinc/75/40/05/446754005.db2.gz ZCEUJKAYMUWCPX-UHFFFAOYSA-N 1 2 330.407 1.727 20 30 EDEDLO C=CC(C)(C)CNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000454522453 446898304 /nfs/dbraw/zinc/89/83/04/446898304.db2.gz AIKRHMVZVGWYBD-UHFFFAOYSA-N 1 2 336.480 1.442 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442847368 446988660 /nfs/dbraw/zinc/98/86/60/446988660.db2.gz QIFNSIKYUYBVIE-KBXCAEBGSA-N 1 2 340.464 1.890 20 30 EDEDLO COCCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000377253778 447022077 /nfs/dbraw/zinc/02/20/77/447022077.db2.gz UMZSRUUMQOQEJN-GOSISDBHSA-N 1 2 326.400 1.975 20 30 EDEDLO COCCn1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 ZINC000377253778 447022082 /nfs/dbraw/zinc/02/20/82/447022082.db2.gz UMZSRUUMQOQEJN-GOSISDBHSA-N 1 2 326.400 1.975 20 30 EDEDLO CCCC(=O)N1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000368773163 447097101 /nfs/dbraw/zinc/09/71/01/447097101.db2.gz QYPNNHZYRSIPCP-UHFFFAOYSA-N 1 2 342.443 1.509 20 30 EDEDLO CCCC(=O)N1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000368773163 447097111 /nfs/dbraw/zinc/09/71/11/447097111.db2.gz QYPNNHZYRSIPCP-UHFFFAOYSA-N 1 2 342.443 1.509 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000413309074 447130207 /nfs/dbraw/zinc/13/02/07/447130207.db2.gz AYJOCLQTZXWAGD-UHFFFAOYSA-N 1 2 346.431 1.347 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1)C1CC1 ZINC000444735312 447133563 /nfs/dbraw/zinc/13/35/63/447133563.db2.gz OYABEELSBAFDHM-DDTOSNHZSA-N 1 2 333.354 1.430 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1)C1CC1 ZINC000444735312 447133566 /nfs/dbraw/zinc/13/35/66/447133566.db2.gz OYABEELSBAFDHM-DDTOSNHZSA-N 1 2 333.354 1.430 20 30 EDEDLO COc1cc(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)ccc1C#N ZINC000413588666 447213815 /nfs/dbraw/zinc/21/38/15/447213815.db2.gz RRBBCFQHBHNWRN-UHFFFAOYSA-N 1 2 346.431 1.477 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1c1ncc(C#N)cc1Cl ZINC000372655155 447209296 /nfs/dbraw/zinc/20/92/96/447209296.db2.gz LSMSIZFGNRLKJE-UKRRQHHQSA-N 1 2 349.866 1.448 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1c1ncc(C#N)cc1Cl ZINC000372655155 447209303 /nfs/dbraw/zinc/20/93/03/447209303.db2.gz LSMSIZFGNRLKJE-UKRRQHHQSA-N 1 2 349.866 1.448 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000377504039 447170639 /nfs/dbraw/zinc/17/06/39/447170639.db2.gz UVHNVUWEHJQTNN-CQSZACIVSA-N 1 2 340.383 1.582 20 30 EDEDLO CC[C@@]1(c2ccccc2)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414108309 447274788 /nfs/dbraw/zinc/27/47/88/447274788.db2.gz LOCJCRYPMLLQJV-YJBOKZPZSA-N 1 2 344.415 1.050 20 30 EDEDLO CC[C@@]1(c2ccccc2)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414108309 447274793 /nfs/dbraw/zinc/27/47/93/447274793.db2.gz LOCJCRYPMLLQJV-YJBOKZPZSA-N 1 2 344.415 1.050 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000369030364 447277310 /nfs/dbraw/zinc/27/73/10/447277310.db2.gz WCAHDDXWPIVRFS-BQFCYCMXSA-N 1 2 341.411 1.448 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000369030364 447277315 /nfs/dbraw/zinc/27/73/15/447277315.db2.gz WCAHDDXWPIVRFS-BQFCYCMXSA-N 1 2 341.411 1.448 20 30 EDEDLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)[C@@H](C)C#N ZINC000416408881 447593483 /nfs/dbraw/zinc/59/34/83/447593483.db2.gz SJKUOGAPHJJLKJ-GJZGRUSLSA-N 1 2 336.461 1.029 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459261517 447625707 /nfs/dbraw/zinc/62/57/07/447625707.db2.gz RXAPXYCEMDGQMU-OAHLLOKOSA-N 1 2 349.479 1.264 20 30 EDEDLO C[C@H]1C[C@]1(C#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000450948720 447630373 /nfs/dbraw/zinc/63/03/73/447630373.db2.gz QFXANGHQWXHKPB-NZUILWFCSA-N 1 2 333.411 1.341 20 30 EDEDLO C[C@H]1C[C@]1(C#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000450948720 447630380 /nfs/dbraw/zinc/63/03/80/447630380.db2.gz QFXANGHQWXHKPB-NZUILWFCSA-N 1 2 333.411 1.341 20 30 EDEDLO C[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000416702425 447675739 /nfs/dbraw/zinc/67/57/39/447675739.db2.gz YBBBKBDAPPLQQT-KSSFIOAISA-N 1 2 342.443 1.956 20 30 EDEDLO Cc1nsc(NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)c1C#N ZINC000459569457 447709959 /nfs/dbraw/zinc/70/99/59/447709959.db2.gz NNWJSXQMSJBKTA-CYBMUJFWSA-N 1 2 349.460 1.898 20 30 EDEDLO Cc1nsc(NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)c1C#N ZINC000459569457 447709965 /nfs/dbraw/zinc/70/99/65/447709965.db2.gz NNWJSXQMSJBKTA-CYBMUJFWSA-N 1 2 349.460 1.898 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000530336851 447862487 /nfs/dbraw/zinc/86/24/87/447862487.db2.gz CWHXGSWUFAZVLR-JSGCOSHPSA-N 1 2 342.447 1.812 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000530336851 447862490 /nfs/dbraw/zinc/86/24/90/447862490.db2.gz CWHXGSWUFAZVLR-JSGCOSHPSA-N 1 2 342.447 1.812 20 30 EDEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000472345738 447819473 /nfs/dbraw/zinc/81/94/73/447819473.db2.gz FYCLAFGTRWLSSR-SOLBZPMBSA-N 1 2 334.464 1.516 20 30 EDEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000472345738 447819476 /nfs/dbraw/zinc/81/94/76/447819476.db2.gz FYCLAFGTRWLSSR-SOLBZPMBSA-N 1 2 334.464 1.516 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000575759033 447892925 /nfs/dbraw/zinc/89/29/25/447892925.db2.gz MABMOCMFKKGYJU-VIFPVBQESA-N 1 2 344.824 1.208 20 30 EDEDLO N#Cc1ccc(C(=O)CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000552325420 447944671 /nfs/dbraw/zinc/94/46/71/447944671.db2.gz SYISVVDNRYKPPX-UHFFFAOYSA-N 1 2 332.323 1.147 20 30 EDEDLO C#CC[C@H]([NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OC ZINC000497193165 447944804 /nfs/dbraw/zinc/94/48/04/447944804.db2.gz JYXMVQQGMPZDOC-KRWDZBQOSA-N 1 2 344.411 1.942 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000570336247 447989452 /nfs/dbraw/zinc/98/94/52/447989452.db2.gz OKPRWLGBFCBDDG-ZDUSSCGKSA-N 1 2 330.310 1.596 20 30 EDEDLO C#C[C@H](CCC)NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000491350653 448002626 /nfs/dbraw/zinc/00/26/26/448002626.db2.gz OZJNSFQZMXLFMD-GOEBONIOSA-N 1 2 330.432 1.908 20 30 EDEDLO C#CC[N@@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000491641717 448069453 /nfs/dbraw/zinc/06/94/53/448069453.db2.gz SLZXIYKSAGRREN-UHFFFAOYSA-N 1 2 329.444 1.879 20 30 EDEDLO C#CC[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000491641717 448069458 /nfs/dbraw/zinc/06/94/58/448069458.db2.gz SLZXIYKSAGRREN-UHFFFAOYSA-N 1 2 329.444 1.879 20 30 EDEDLO C[C@H](C(=O)NCC1(C#N)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000555862823 448096843 /nfs/dbraw/zinc/09/68/43/448096843.db2.gz MZWJANOSRNUOFN-CQSZACIVSA-N 1 2 330.407 1.756 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000497051568 448157018 /nfs/dbraw/zinc/15/70/18/448157018.db2.gz DAAJRCHEKWBYTB-KRWDZBQOSA-N 1 2 338.452 1.736 20 30 EDEDLO C=CCCS(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000531938840 448174123 /nfs/dbraw/zinc/17/41/23/448174123.db2.gz HJEONINTMDXQJM-RDJZCZTQSA-N 1 2 338.473 1.771 20 30 EDEDLO C=CCCS(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000531938840 448174128 /nfs/dbraw/zinc/17/41/28/448174128.db2.gz HJEONINTMDXQJM-RDJZCZTQSA-N 1 2 338.473 1.771 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cc[nH+]cc1O ZINC000497090508 448191755 /nfs/dbraw/zinc/19/17/55/448191755.db2.gz DISYVOUZGIGFFD-LBPRGKRZSA-N 1 2 334.376 1.735 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527135577 448168816 /nfs/dbraw/zinc/16/88/16/448168816.db2.gz RCDMFFFSIDFWLU-HOTGVXAUSA-N 1 2 347.459 1.993 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527135577 448168819 /nfs/dbraw/zinc/16/88/19/448168819.db2.gz RCDMFFFSIDFWLU-HOTGVXAUSA-N 1 2 347.459 1.993 20 30 EDEDLO COCC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H]1CCO[C@@H]1C ZINC000571949361 448243066 /nfs/dbraw/zinc/24/30/66/448243066.db2.gz CZHCKQHADIIMTB-DYVFJYSZSA-N 1 2 332.400 1.971 20 30 EDEDLO COCC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H]1CCO[C@@H]1C ZINC000571949361 448243072 /nfs/dbraw/zinc/24/30/72/448243072.db2.gz CZHCKQHADIIMTB-DYVFJYSZSA-N 1 2 332.400 1.971 20 30 EDEDLO C=CCn1cc(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)nn1 ZINC000572396673 448369152 /nfs/dbraw/zinc/36/91/52/448369152.db2.gz FECILBKUFQSVHY-UHFFFAOYSA-N 1 2 329.408 1.339 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000564458035 448329799 /nfs/dbraw/zinc/32/97/99/448329799.db2.gz MKFQRCKEYIVJJM-SJKOYZFVSA-N 1 2 348.834 1.653 20 30 EDEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(S(=O)(=O)c2ccc(C#N)c(C)c2)C1 ZINC000591617712 448410383 /nfs/dbraw/zinc/41/03/83/448410383.db2.gz IQWOOYYZJAUNCE-HIFRSBDPSA-N 1 2 346.412 1.741 20 30 EDEDLO CN1CC[NH+](Cc2cccc(NC(=O)Cc3ccc(C#N)nc3)c2)CC1 ZINC000528176468 448453016 /nfs/dbraw/zinc/45/30/16/448453016.db2.gz CDZQYSYINSSFRG-UHFFFAOYSA-N 1 2 349.438 1.882 20 30 EDEDLO CCn1ccnc1[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000591769845 448487268 /nfs/dbraw/zinc/48/72/68/448487268.db2.gz MYJAUYKVLDBMBP-ZDUSSCGKSA-N 1 2 332.429 1.899 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000591899822 448556602 /nfs/dbraw/zinc/55/66/02/448556602.db2.gz FQMUUYWONGZGAZ-CRAIPNDOSA-N 1 2 339.399 1.570 20 30 EDEDLO N#CC[C@@]1(O)CCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000591906642 448561035 /nfs/dbraw/zinc/56/10/35/448561035.db2.gz WIASEGNGTVNWLS-GOSISDBHSA-N 1 2 343.431 1.632 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(C(F)(F)F)c1 ZINC000566720680 448543896 /nfs/dbraw/zinc/54/38/96/448543896.db2.gz UOBNHDZLPUFBRG-KBPBESRZSA-N 1 2 339.317 1.666 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(C(F)(F)F)c1 ZINC000566720680 448543901 /nfs/dbraw/zinc/54/39/01/448543901.db2.gz UOBNHDZLPUFBRG-KBPBESRZSA-N 1 2 339.317 1.666 20 30 EDEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccco3)CC2)c(C#N)n1 ZINC000584480132 448544124 /nfs/dbraw/zinc/54/41/24/448544124.db2.gz SEJBHDNMFKZJGE-UHFFFAOYSA-N 1 2 326.356 1.655 20 30 EDEDLO O=C(NCC#Cc1ccccc1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000539067598 448606034 /nfs/dbraw/zinc/60/60/34/448606034.db2.gz SMCKOMJHFMMXQD-UHFFFAOYSA-N 1 2 335.407 1.695 20 30 EDEDLO N#Cc1cnccc1CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000592059167 448654261 /nfs/dbraw/zinc/65/42/61/448654261.db2.gz PEFYACBKFYDTDN-UHFFFAOYSA-N 1 2 341.459 1.473 20 30 EDEDLO N#CCCC1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000592062369 448655631 /nfs/dbraw/zinc/65/56/31/448655631.db2.gz QNGATICZFZAQNL-UHFFFAOYSA-N 1 2 329.466 1.054 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000573448586 448631210 /nfs/dbraw/zinc/63/12/10/448631210.db2.gz INEAXHGKSWCQHM-IYOUNJFTSA-N 1 2 329.400 1.521 20 30 EDEDLO C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000540312683 448634562 /nfs/dbraw/zinc/63/45/62/448634562.db2.gz XQWQMUMYMLBJJG-ZDUSSCGKSA-N 1 2 349.394 1.816 20 30 EDEDLO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592147094 448707228 /nfs/dbraw/zinc/70/72/28/448707228.db2.gz IISMCBZFRHMHOO-ACJLOTCBSA-N 1 2 347.415 1.231 20 30 EDEDLO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592147094 448707233 /nfs/dbraw/zinc/70/72/33/448707233.db2.gz IISMCBZFRHMHOO-ACJLOTCBSA-N 1 2 347.415 1.231 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000592149083 448708553 /nfs/dbraw/zinc/70/85/53/448708553.db2.gz IOCDJSIVRGOARX-QGZVFWFLSA-N 1 2 335.379 1.061 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000592149083 448708557 /nfs/dbraw/zinc/70/85/57/448708557.db2.gz IOCDJSIVRGOARX-QGZVFWFLSA-N 1 2 335.379 1.061 20 30 EDEDLO N#Cc1ccc(CNC(=O)C(=O)NCCCCn2cc[nH+]c2)c(F)c1 ZINC000585774564 448760743 /nfs/dbraw/zinc/76/07/43/448760743.db2.gz KSDSYAXLWXDJCX-UHFFFAOYSA-N 1 2 343.362 1.107 20 30 EDEDLO C[C@@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000585774572 448760832 /nfs/dbraw/zinc/76/08/32/448760832.db2.gz NWKKMSHSONBUJY-CQSZACIVSA-N 1 2 339.399 1.529 20 30 EDEDLO C[C@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000587674384 448840305 /nfs/dbraw/zinc/84/03/05/448840305.db2.gz MJEKVQUBOZXLHJ-AWEZNQCLSA-N 1 2 339.399 1.481 20 30 EDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)NCc3ccccc3)CC2)C1 ZINC000568988191 448949644 /nfs/dbraw/zinc/94/96/44/448949644.db2.gz YHDNJMSNVITURJ-IAGOWNOFSA-N 1 2 348.472 1.331 20 30 EDEDLO CN(CCCc1[nH]nc(N)c1C#N)c1cc(N2CCCC2)nc[nH+]1 ZINC000521171093 448958727 /nfs/dbraw/zinc/95/87/27/448958727.db2.gz MZEGILBSEPMCSD-UHFFFAOYSA-N 1 2 326.408 1.323 20 30 EDEDLO CN(CCCc1[nH]nc(N)c1C#N)c1cc(N2CCCC2)[nH+]cn1 ZINC000521171093 448958730 /nfs/dbraw/zinc/95/87/30/448958730.db2.gz MZEGILBSEPMCSD-UHFFFAOYSA-N 1 2 326.408 1.323 20 30 EDEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000521185165 448959373 /nfs/dbraw/zinc/95/93/73/448959373.db2.gz XWTKNIIYJXLMCK-KBRIMQKVSA-N 1 2 329.400 1.135 20 30 EDEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000521185165 448959376 /nfs/dbraw/zinc/95/93/76/448959376.db2.gz XWTKNIIYJXLMCK-KBRIMQKVSA-N 1 2 329.400 1.135 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000581523888 448977562 /nfs/dbraw/zinc/97/75/62/448977562.db2.gz AQDTWUMRUXOPEI-KBXCAEBGSA-N 1 2 328.416 1.538 20 30 EDEDLO N#CC1(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCC1 ZINC000582349455 449070584 /nfs/dbraw/zinc/07/05/84/449070584.db2.gz SIAMCDPXMJQEOQ-UHFFFAOYSA-N 1 2 330.413 1.904 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000582219823 449038842 /nfs/dbraw/zinc/03/88/42/449038842.db2.gz SGCHYJHDOXRUEO-PMPSAXMXSA-N 1 2 325.453 1.330 20 30 EDEDLO COC(=O)[C@H]([NH2+]CCC(=O)N(C)CCC#N)[C@H]1CCC[C@@H](OC)C1 ZINC000575127943 449043040 /nfs/dbraw/zinc/04/30/40/449043040.db2.gz VRDNZCOWECLPQR-SQWLQELKSA-N 1 2 339.436 1.085 20 30 EDEDLO CCN(C(=O)[C@@H](C)[NH+]1CCN(C(=O)CC#N)CC1)C1CCCCC1 ZINC000575135167 449045505 /nfs/dbraw/zinc/04/55/05/449045505.db2.gz VCGIGVDVRVCIMK-OAHLLOKOSA-N 1 2 334.464 1.614 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccccc2C#N)C(C)(C)C1 ZINC000593658003 449133898 /nfs/dbraw/zinc/13/38/98/449133898.db2.gz MTXVKCNISAIOSK-UHFFFAOYSA-N 1 2 337.445 1.290 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccccc2C#N)C(C)(C)C1 ZINC000593658003 449133900 /nfs/dbraw/zinc/13/39/00/449133900.db2.gz MTXVKCNISAIOSK-UHFFFAOYSA-N 1 2 337.445 1.290 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(O)(CO)CC2)c1C#N ZINC000595731969 449135652 /nfs/dbraw/zinc/13/56/52/449135652.db2.gz KNKBDEBHEIVJLS-UHFFFAOYSA-N 1 2 326.400 1.372 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)c(O)c1)C(C)(C)CO ZINC000597844993 449119721 /nfs/dbraw/zinc/11/97/21/449119721.db2.gz DQXKTBSBWODFEQ-AWEZNQCLSA-N 1 2 328.372 1.487 20 30 EDEDLO CC[C@@H](C#N)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000593635282 449121188 /nfs/dbraw/zinc/12/11/88/449121188.db2.gz JTJJSJIDBWDUTL-INIZCTEOSA-N 1 2 328.416 1.839 20 30 EDEDLO COc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000593154479 449153638 /nfs/dbraw/zinc/15/36/38/449153638.db2.gz VZUJIBYFTOXAAV-HNNXBMFYSA-N 1 2 336.348 1.186 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000593155589 449154509 /nfs/dbraw/zinc/15/45/09/449154509.db2.gz HMLOQUKTNBBFOR-LJQANCHMSA-N 1 2 337.427 1.935 20 30 EDEDLO CN1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](Cc2ccccc2)C1 ZINC000593680240 449144631 /nfs/dbraw/zinc/14/46/31/449144631.db2.gz VJICNURRUCUEHZ-LJQANCHMSA-N 1 2 346.438 1.960 20 30 EDEDLO CN1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H](Cc2ccccc2)C1 ZINC000593680240 449144634 /nfs/dbraw/zinc/14/46/34/449144634.db2.gz VJICNURRUCUEHZ-LJQANCHMSA-N 1 2 346.438 1.960 20 30 EDEDLO CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCC1)c1nnc2n1CCCCC2 ZINC000595802074 449175528 /nfs/dbraw/zinc/17/55/28/449175528.db2.gz YSANGMCSJLYZDZ-ZIAGYGMSSA-N 1 2 344.463 1.996 20 30 EDEDLO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839672 449200639 /nfs/dbraw/zinc/20/06/39/449200639.db2.gz HOWIDIULRDKFBZ-HNAYVOBHSA-N 1 2 342.443 1.665 20 30 EDEDLO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839672 449200646 /nfs/dbraw/zinc/20/06/46/449200646.db2.gz HOWIDIULRDKFBZ-HNAYVOBHSA-N 1 2 342.443 1.665 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595828025 449190628 /nfs/dbraw/zinc/19/06/28/449190628.db2.gz HDCQEIQCXWSXKI-LLVKDONJSA-N 1 2 346.214 1.628 20 30 EDEDLO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)C1 ZINC000600174912 449227079 /nfs/dbraw/zinc/22/70/79/449227079.db2.gz RDKWDDAQIZKZJX-IBGZPJMESA-N 1 2 349.394 1.941 20 30 EDEDLO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)C1 ZINC000600174912 449227080 /nfs/dbraw/zinc/22/70/80/449227080.db2.gz RDKWDDAQIZKZJX-IBGZPJMESA-N 1 2 349.394 1.941 20 30 EDEDLO C[NH+]1CCC(n2cc(NS(=O)(=O)c3ccccc3C#N)cn2)CC1 ZINC000601979132 449260321 /nfs/dbraw/zinc/26/03/21/449260321.db2.gz GUIBHUZNUNTJSK-UHFFFAOYSA-N 1 2 345.428 1.822 20 30 EDEDLO CSc1cccnc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000593442756 449286745 /nfs/dbraw/zinc/28/67/45/449286745.db2.gz FAFDBISSXDIRGC-UHFFFAOYSA-N 1 2 334.445 1.492 20 30 EDEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)N1CCO[C@H](C#N)C1 ZINC000593469326 449299399 /nfs/dbraw/zinc/29/93/99/449299399.db2.gz VDCKSVWMAOQLAL-CVEARBPZSA-N 1 2 339.399 1.638 20 30 EDEDLO Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000593469327 449300226 /nfs/dbraw/zinc/30/02/26/449300226.db2.gz VDCKSVWMAOQLAL-HOTGVXAUSA-N 1 2 339.399 1.638 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000594056234 449340639 /nfs/dbraw/zinc/34/06/39/449340639.db2.gz SVFRDXSSEKBODF-DZGCQCFKSA-N 1 2 342.399 1.948 20 30 EDEDLO N#Cc1cc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)ccn1 ZINC000611677775 449379384 /nfs/dbraw/zinc/37/93/84/449379384.db2.gz GDYYEMFZDGLACC-KRWDZBQOSA-N 1 2 348.472 1.780 20 30 EDEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)ccn1 ZINC000611677775 449379386 /nfs/dbraw/zinc/37/93/86/449379386.db2.gz GDYYEMFZDGLACC-KRWDZBQOSA-N 1 2 348.472 1.780 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1nnn(-c2ccccc2)c1C(F)F ZINC000594024110 449329543 /nfs/dbraw/zinc/32/95/43/449329543.db2.gz BRSNZPQKRHQKPK-MRXNPFEDSA-N 1 2 348.357 1.779 20 30 EDEDLO CN(CC(C)(C)C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000602380108 449552946 /nfs/dbraw/zinc/55/29/46/449552946.db2.gz XVTIIWGCGGZHGS-INIZCTEOSA-N 1 2 345.447 1.474 20 30 EDEDLO CN(CC(C)(C)C#N)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000602380108 449552950 /nfs/dbraw/zinc/55/29/50/449552950.db2.gz XVTIIWGCGGZHGS-INIZCTEOSA-N 1 2 345.447 1.474 20 30 EDEDLO N#Cc1cc(O)cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000614299372 449550489 /nfs/dbraw/zinc/55/04/89/449550489.db2.gz HPYMPDCIMBCOIG-CYBMUJFWSA-N 1 2 329.400 1.495 20 30 EDEDLO C[C@@](O)(C[C@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000600846107 449573641 /nfs/dbraw/zinc/57/36/41/449573641.db2.gz LWQFSKPWDBEWHC-VQTJNVASSA-N 1 2 343.471 1.588 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)o1 ZINC000594803550 449715830 /nfs/dbraw/zinc/71/58/30/449715830.db2.gz QMWPGJBREIXKRB-UHFFFAOYSA-N 1 2 332.385 1.625 20 30 EDEDLO C=CC[N@@H+](C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000614578690 449693699 /nfs/dbraw/zinc/69/36/99/449693699.db2.gz LBLWALGKGCVZLQ-UHFFFAOYSA-N 1 2 340.401 1.686 20 30 EDEDLO C=CC[N@H+](C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000614578690 449693703 /nfs/dbraw/zinc/69/37/03/449693703.db2.gz LBLWALGKGCVZLQ-UHFFFAOYSA-N 1 2 340.401 1.686 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000612529602 449755467 /nfs/dbraw/zinc/75/54/67/449755467.db2.gz HGQFMXCEHGVPGG-SFHVURJKSA-N 1 2 347.434 1.941 20 30 EDEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000601252177 449775974 /nfs/dbraw/zinc/77/59/74/449775974.db2.gz GTXIAGYJSFYINB-SNPRPXQTSA-N 1 2 326.404 1.870 20 30 EDEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000601321445 449829958 /nfs/dbraw/zinc/82/99/58/449829958.db2.gz NIWZQRVJOVHATI-KRWDZBQOSA-N 1 2 349.456 1.183 20 30 EDEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000601321445 449829962 /nfs/dbraw/zinc/82/99/62/449829962.db2.gz NIWZQRVJOVHATI-KRWDZBQOSA-N 1 2 349.456 1.183 20 30 EDEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccccc3F)C2=O)C[C@H](C)N1CC#N ZINC000602855515 449862020 /nfs/dbraw/zinc/86/20/20/449862020.db2.gz HREBEQDONUTYTE-VBQJREDUSA-N 1 2 330.407 1.849 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3F)C2=O)C[C@H](C)N1CC#N ZINC000602855515 449862024 /nfs/dbraw/zinc/86/20/24/449862024.db2.gz HREBEQDONUTYTE-VBQJREDUSA-N 1 2 330.407 1.849 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@H](C)N1CC#N ZINC000602855260 449862167 /nfs/dbraw/zinc/86/21/67/449862167.db2.gz HAHMMGKBZMMBJD-GASCZTMLSA-N 1 2 325.416 1.093 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@H](C)N1CC#N ZINC000602855260 449862172 /nfs/dbraw/zinc/86/21/72/449862172.db2.gz HAHMMGKBZMMBJD-GASCZTMLSA-N 1 2 325.416 1.093 20 30 EDEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854890 449862277 /nfs/dbraw/zinc/86/22/77/449862277.db2.gz DMWNWJQBZVKJTI-RBSFLKMASA-N 1 2 332.423 1.749 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H](C)N1CC#N ZINC000602855350 449862476 /nfs/dbraw/zinc/86/24/76/449862476.db2.gz HAAZHDIHYXZTOU-HOTGVXAUSA-N 1 2 331.464 1.589 20 30 EDEDLO COc1ccccc1CN(C)C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856557 449863955 /nfs/dbraw/zinc/86/39/55/449863955.db2.gz KQFIDMFMXKDFGM-HZPDHXFCSA-N 1 2 344.459 1.572 20 30 EDEDLO COc1ccccc1CCNC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857325 449866273 /nfs/dbraw/zinc/86/62/73/449866273.db2.gz QUOOQKUYXSRRLI-HOTGVXAUSA-N 1 2 344.459 1.272 20 30 EDEDLO C[C@H](C(=O)NCc1ccccc1F)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858882 449867143 /nfs/dbraw/zinc/86/71/43/449867143.db2.gz VVAGIEHBKFACRD-SOUVJXGZSA-N 1 2 332.423 1.749 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C[C@H](C)N1CC#N ZINC000602859909 449869373 /nfs/dbraw/zinc/86/93/73/449869373.db2.gz HDXCNUQWWGDXEY-HLLBOEOZSA-N 1 2 342.443 1.024 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C[C@H](C)N1CC#N ZINC000602859909 449869378 /nfs/dbraw/zinc/86/93/78/449869378.db2.gz HDXCNUQWWGDXEY-HLLBOEOZSA-N 1 2 342.443 1.024 20 30 EDEDLO CC(C)(CC#N)CS(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000601424616 449943304 /nfs/dbraw/zinc/94/33/04/449943304.db2.gz NLTYQUBMYORUCK-CQSZACIVSA-N 1 2 329.466 1.053 20 30 EDEDLO COC(=O)CN(CC#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000597272819 449910226 /nfs/dbraw/zinc/91/02/26/449910226.db2.gz IGTTUTNVHWEYHY-CQSZACIVSA-N 1 2 326.356 1.457 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609110281 449960577 /nfs/dbraw/zinc/96/05/77/449960577.db2.gz ZOCKOKVUWOCAQU-QAPCUYQASA-N 1 2 342.443 1.364 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601449503 449972874 /nfs/dbraw/zinc/97/28/74/449972874.db2.gz QUBLZLPPZBIMQO-CJNGLKHVSA-N 1 2 337.445 1.211 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601449503 449972880 /nfs/dbraw/zinc/97/28/80/449972880.db2.gz QUBLZLPPZBIMQO-CJNGLKHVSA-N 1 2 337.445 1.211 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](c2cc(C)cc[nH+]2)C1 ZINC000601459593 449982673 /nfs/dbraw/zinc/98/26/73/449982673.db2.gz FWDOJYWRKKAQJZ-LSDHHAIUSA-N 1 2 336.461 1.906 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988037 449983959 /nfs/dbraw/zinc/98/39/59/449983959.db2.gz ZDLVAPVBPLEFKF-KGYLQXTDSA-N 1 2 341.333 1.988 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988037 449983967 /nfs/dbraw/zinc/98/39/67/449983967.db2.gz ZDLVAPVBPLEFKF-KGYLQXTDSA-N 1 2 341.333 1.988 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000615224077 450009046 /nfs/dbraw/zinc/00/90/46/450009046.db2.gz FAXWDOGCEWDVOR-CYBMUJFWSA-N 1 2 327.837 1.725 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000615224077 450009049 /nfs/dbraw/zinc/00/90/49/450009049.db2.gz FAXWDOGCEWDVOR-CYBMUJFWSA-N 1 2 327.837 1.725 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000603017524 450012873 /nfs/dbraw/zinc/01/28/73/450012873.db2.gz XNFURPMWUOYCPX-CQSZACIVSA-N 1 2 330.407 1.899 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000609487083 450036675 /nfs/dbraw/zinc/03/66/75/450036675.db2.gz WMXXPZHGDRKCKL-MRXNPFEDSA-N 1 2 325.416 1.360 20 30 EDEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000599579880 450080820 /nfs/dbraw/zinc/08/08/20/450080820.db2.gz MCBONBIJRXJKHL-GOEBONIOSA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000599579880 450080822 /nfs/dbraw/zinc/08/08/22/450080822.db2.gz MCBONBIJRXJKHL-GOEBONIOSA-N 1 2 346.383 1.364 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@H](C)O)[C@H](C)CO)c1C#N ZINC000615468719 450106728 /nfs/dbraw/zinc/10/67/28/450106728.db2.gz SHKZWOAAPJPBAB-KGLIPLIRSA-N 1 2 328.416 1.616 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C[C@H](C)O)[C@H](C)CO)c1C#N ZINC000615468719 450106733 /nfs/dbraw/zinc/10/67/33/450106733.db2.gz SHKZWOAAPJPBAB-KGLIPLIRSA-N 1 2 328.416 1.616 20 30 EDEDLO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000597606107 450142340 /nfs/dbraw/zinc/14/23/40/450142340.db2.gz UWLBQUFRXQJKNA-LBPRGKRZSA-N 1 2 334.445 1.937 20 30 EDEDLO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000597606107 450142345 /nfs/dbraw/zinc/14/23/45/450142345.db2.gz UWLBQUFRXQJKNA-LBPRGKRZSA-N 1 2 334.445 1.937 20 30 EDEDLO CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678664 450147118 /nfs/dbraw/zinc/14/71/18/450147118.db2.gz XJAPFVKPOILNTH-UHFFFAOYSA-N 1 2 342.443 1.142 20 30 EDEDLO CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678664 450147121 /nfs/dbraw/zinc/14/71/21/450147121.db2.gz XJAPFVKPOILNTH-UHFFFAOYSA-N 1 2 342.443 1.142 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNc1c(C#N)cnc2c(F)ccc(F)c21 ZINC000610276170 450179928 /nfs/dbraw/zinc/17/99/28/450179928.db2.gz ZMNVWRYCDCUDQU-NSHDSACASA-N 1 2 332.354 1.939 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNc1c(C#N)cnc2c(F)ccc(F)c21 ZINC000610276170 450179932 /nfs/dbraw/zinc/17/99/32/450179932.db2.gz ZMNVWRYCDCUDQU-NSHDSACASA-N 1 2 332.354 1.939 20 30 EDEDLO COC[C@]1(C)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000599697716 450161588 /nfs/dbraw/zinc/16/15/88/450161588.db2.gz PPJRTWLNNIOXDV-WMZOPIPTSA-N 1 2 329.400 1.401 20 30 EDEDLO COC[C@]1(C)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000599697716 450161593 /nfs/dbraw/zinc/16/15/93/450161593.db2.gz PPJRTWLNNIOXDV-WMZOPIPTSA-N 1 2 329.400 1.401 20 30 EDEDLO CCN1OC[C@@H]([NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O ZINC000595484910 450176634 /nfs/dbraw/zinc/17/66/34/450176634.db2.gz SVCATCZIYLFKIM-OAHLLOKOSA-N 1 2 333.363 1.703 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1nnc2n1CCCCC2 ZINC000595434772 450141151 /nfs/dbraw/zinc/14/11/51/450141151.db2.gz XWIMHKDYUAALHE-OLZOCXBDSA-N 1 2 330.436 1.606 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597710063 450214155 /nfs/dbraw/zinc/21/41/55/450214155.db2.gz PYQBWVDCIUYORW-DOTOQJQBSA-N 1 2 343.427 1.649 20 30 EDEDLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc(C#N)c3)[nH+]c12 ZINC000610465334 450229185 /nfs/dbraw/zinc/22/91/85/450229185.db2.gz MCNGEFWHROQJHT-UHFFFAOYSA-N 1 2 347.378 1.812 20 30 EDEDLO C[C@H]1CN(CC[NH+]2CCN(c3cnccc3C#N)CC2)C[C@H](C)O1 ZINC000595501932 450190690 /nfs/dbraw/zinc/19/06/90/450190690.db2.gz OBWQLDNBXGPYDE-HOTGVXAUSA-N 1 2 329.448 1.184 20 30 EDEDLO C=CC[N@@H+](CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000595578088 450244450 /nfs/dbraw/zinc/24/44/50/450244450.db2.gz WNVUDJOWJMXBER-MRXNPFEDSA-N 1 2 339.457 1.887 20 30 EDEDLO C=CC[N@H+](CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000595578088 450244457 /nfs/dbraw/zinc/24/44/57/450244457.db2.gz WNVUDJOWJMXBER-MRXNPFEDSA-N 1 2 339.457 1.887 20 30 EDEDLO C=CCCCCNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000623898147 450628537 /nfs/dbraw/zinc/62/85/37/450628537.db2.gz ARHFWXABJWBUOM-KRWDZBQOSA-N 1 2 332.448 1.938 20 30 EDEDLO C=CCCCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000623898147 450628540 /nfs/dbraw/zinc/62/85/40/450628540.db2.gz ARHFWXABJWBUOM-KRWDZBQOSA-N 1 2 332.448 1.938 20 30 EDEDLO COC[C@@]1(C)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000626177380 450610904 /nfs/dbraw/zinc/61/09/04/450610904.db2.gz MFZBVSGUGDTHLY-LJQANCHMSA-N 1 2 342.395 1.023 20 30 EDEDLO COC[C@@]1(C)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000626177380 450610909 /nfs/dbraw/zinc/61/09/09/450610909.db2.gz MFZBVSGUGDTHLY-LJQANCHMSA-N 1 2 342.395 1.023 20 30 EDEDLO C=CC(C)(C)CNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000627622987 450850143 /nfs/dbraw/zinc/85/01/43/450850143.db2.gz IWBTXEIUZOGGSP-KBPBESRZSA-N 1 2 334.420 1.037 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+](CCO)Cc1cccnc1 ZINC000625223199 451223362 /nfs/dbraw/zinc/22/33/62/451223362.db2.gz RFERTJJDGNXLCN-UHFFFAOYSA-N 1 2 349.390 1.176 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+](CCO)Cc1cccnc1 ZINC000625223199 451223367 /nfs/dbraw/zinc/22/33/67/451223367.db2.gz RFERTJJDGNXLCN-UHFFFAOYSA-N 1 2 349.390 1.176 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cc(F)ccc2F)nn1 ZINC000640892552 451677043 /nfs/dbraw/zinc/67/70/43/451677043.db2.gz PRLRCRPQLXWDIO-NSHDSACASA-N 1 2 333.342 1.869 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCO[C@H]2CCCC[C@H]2C)nn1 ZINC000640978829 451717451 /nfs/dbraw/zinc/71/74/51/451717451.db2.gz ITPVWPLNYBHKIW-WBVHZDCISA-N 1 2 347.463 1.103 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)n1cc(CC[NH+]2CCOCC2)nn1 ZINC000640924697 451692823 /nfs/dbraw/zinc/69/28/23/451692823.db2.gz YGVFZXHCQIGGBN-OAHLLOKOSA-N 1 2 335.452 1.138 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(c3ccc(F)cc3)C2=O)nn1 ZINC000641107534 451751893 /nfs/dbraw/zinc/75/18/93/451751893.db2.gz UCOLSSYAKGUQFR-MRXNPFEDSA-N 1 2 327.363 1.508 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000645154939 452183106 /nfs/dbraw/zinc/18/31/06/452183106.db2.gz NKDQUFBYWMCWSH-KRWDZBQOSA-N 1 2 344.459 1.891 20 30 EDEDLO C=CC[C@@]1(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CCC[NH2+]1 ZINC000662582134 453309765 /nfs/dbraw/zinc/30/97/65/453309765.db2.gz MMDJOWGZBTYWSN-KRWDZBQOSA-N 1 2 329.379 1.925 20 30 EDEDLO C=CC[C@@]1(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CCC[NH2+]1 ZINC000662582134 453309774 /nfs/dbraw/zinc/30/97/74/453309774.db2.gz MMDJOWGZBTYWSN-KRWDZBQOSA-N 1 2 329.379 1.925 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000653124476 453316854 /nfs/dbraw/zinc/31/68/54/453316854.db2.gz AEOSEKROOAKTCF-UAGQMJEPSA-N 1 2 330.432 1.813 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664807279 453417216 /nfs/dbraw/zinc/41/72/16/453417216.db2.gz UUJSYFGPAPXDRZ-JONQDZQNSA-N 1 2 325.453 1.376 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664807279 453417222 /nfs/dbraw/zinc/41/72/22/453417222.db2.gz UUJSYFGPAPXDRZ-JONQDZQNSA-N 1 2 325.453 1.376 20 30 EDEDLO CC#CCN(C)C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000667291210 453537248 /nfs/dbraw/zinc/53/72/48/453537248.db2.gz FKNBMCMPXFEGIT-SFHVURJKSA-N 1 2 328.460 1.467 20 30 EDEDLO CC#CCN(C)C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000667291210 453537256 /nfs/dbraw/zinc/53/72/56/453537256.db2.gz FKNBMCMPXFEGIT-SFHVURJKSA-N 1 2 328.460 1.467 20 30 EDEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000670223283 486698519 /nfs/dbraw/zinc/69/85/19/486698519.db2.gz QMWZNXUBBLIVPK-OAHLLOKOSA-N 1 2 348.495 1.578 20 30 EDEDLO C=CC[C@H](CO)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000680451283 486780077 /nfs/dbraw/zinc/78/00/77/486780077.db2.gz AHPWRCBJUXIUHU-CQSZACIVSA-N 1 2 346.431 1.133 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000668829559 486238597 /nfs/dbraw/zinc/23/85/97/486238597.db2.gz OIXYDWHPRBCQCI-ARFHVFGLSA-N 1 2 337.464 1.027 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000671397010 486468724 /nfs/dbraw/zinc/46/87/24/486468724.db2.gz XQHSIICHCHTZEE-OAHLLOKOSA-N 1 2 329.444 1.979 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000128613388 534644448 /nfs/dbraw/zinc/64/44/48/534644448.db2.gz FJEQZDYYCBFFBD-UHFFFAOYSA-N 1 2 341.415 1.170 20 30 EDEDLO C=CCc1cc(C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)cc(OC)c1O ZINC000093706531 527236096 /nfs/dbraw/zinc/23/60/96/527236096.db2.gz OGFMEHNLSPZPRS-CYBMUJFWSA-N 1 2 334.416 1.154 20 30 EDEDLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000177865787 527959384 /nfs/dbraw/zinc/95/93/84/527959384.db2.gz GBVPCMRDWDKOCC-UHFFFAOYSA-N 1 2 344.415 1.066 20 30 EDEDLO CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)NCc1ccc(F)cc1 ZINC000174224540 528132782 /nfs/dbraw/zinc/13/27/82/528132782.db2.gz AMVMQDMKOPZPCL-GFCCVEGCSA-N 1 2 325.384 1.792 20 30 EDEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000168523935 529043955 /nfs/dbraw/zinc/04/39/55/529043955.db2.gz HRSSUVQLGNVBGA-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO CC(C)[C@@H](C#N)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000269051866 535123334 /nfs/dbraw/zinc/12/33/34/535123334.db2.gz VYMPSSGLUYRBDS-OAHLLOKOSA-N 1 2 343.431 1.175 20 30 EDEDLO C[NH+](C)Cc1nc(C2(NC(=O)c3ccc(C#N)o3)CCCC2)no1 ZINC000340412721 536062307 /nfs/dbraw/zinc/06/23/07/536062307.db2.gz USWYRYVGNOASGM-UHFFFAOYSA-N 1 2 329.360 1.795 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000741718230 579425663 /nfs/dbraw/zinc/42/56/63/579425663.db2.gz KZBHXYOLBJSNIK-IRXDYDNUSA-N 1 2 325.412 1.314 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000741718230 579425664 /nfs/dbraw/zinc/42/56/64/579425664.db2.gz KZBHXYOLBJSNIK-IRXDYDNUSA-N 1 2 325.412 1.314 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCNC(=O)C1 ZINC000726790157 578360427 /nfs/dbraw/zinc/36/04/27/578360427.db2.gz AHQZOWGWYGFBIK-ZDUSSCGKSA-N 1 2 335.367 1.046 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCCNC(=O)C1 ZINC000726790157 578360429 /nfs/dbraw/zinc/36/04/29/578360429.db2.gz AHQZOWGWYGFBIK-ZDUSSCGKSA-N 1 2 335.367 1.046 20 30 EDEDLO C[N@@H+](CC(=O)NCCC#N)C[C@H](c1cccs1)N1CCOCC1 ZINC000729928280 578603734 /nfs/dbraw/zinc/60/37/34/578603734.db2.gz HNMUOOIXSPNAMR-CQSZACIVSA-N 1 2 336.461 1.083 20 30 EDEDLO C[N@H+](CC(=O)NCCC#N)C[C@H](c1cccs1)N1CCOCC1 ZINC000729928280 578603735 /nfs/dbraw/zinc/60/37/35/578603735.db2.gz HNMUOOIXSPNAMR-CQSZACIVSA-N 1 2 336.461 1.083 20 30 EDEDLO N#CCN1CCC(NC(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000730582318 578652659 /nfs/dbraw/zinc/65/26/59/578652659.db2.gz CJDWPLFBLLMDON-UHFFFAOYSA-N 1 2 339.403 1.054 20 30 EDEDLO CC(C)CNC(=O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000734484478 578816120 /nfs/dbraw/zinc/81/61/20/578816120.db2.gz VHKBHJZQZCBKOZ-QGZVFWFLSA-N 1 2 342.443 1.569 20 30 EDEDLO N#CCOc1ccc(Cl)cc1CO[NH+]=C(N)CN1CCOCC1 ZINC000735303468 578874903 /nfs/dbraw/zinc/87/49/03/578874903.db2.gz RZPMWNIOOQIUBS-UHFFFAOYSA-N 1 2 338.795 1.573 20 30 EDEDLO CN(CCO)c1ccc(C=[NH+]NC(=S)NCC(F)(F)F)cc1 ZINC000746496952 579598360 /nfs/dbraw/zinc/59/83/60/579598360.db2.gz QURHIXQCYZRKKH-UHFFFAOYSA-N 1 2 334.367 1.475 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccon3)CC2)cc1 ZINC000747510233 579646774 /nfs/dbraw/zinc/64/67/74/579646774.db2.gz IMMQSWOIOMSEJI-UHFFFAOYSA-N 1 2 325.372 1.574 20 30 EDEDLO CN(Cc1cnn(C)c1)C(=O)CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000747827325 579659689 /nfs/dbraw/zinc/65/96/89/579659689.db2.gz MTMLIVADZFMAPQ-UHFFFAOYSA-N 1 2 335.795 1.369 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](Cc2ccccc2F)C(C)C)CC1 ZINC000748815338 579701281 /nfs/dbraw/zinc/70/12/81/579701281.db2.gz LOYACRAXCBJZRJ-UHFFFAOYSA-N 1 2 331.435 1.814 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](Cc2ccccc2F)C(C)C)CC1 ZINC000748815338 579701282 /nfs/dbraw/zinc/70/12/82/579701282.db2.gz LOYACRAXCBJZRJ-UHFFFAOYSA-N 1 2 331.435 1.814 20 30 EDEDLO CCOc1cccc(C=[NH+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O ZINC000751890262 579826405 /nfs/dbraw/zinc/82/64/05/579826405.db2.gz LMIBCGILSADFKK-KJXPIBEZSA-N 1 2 345.399 1.930 20 30 EDEDLO COc1ccc(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000756080239 579943142 /nfs/dbraw/zinc/94/31/42/579943142.db2.gz ZNCWGKIDAXBGPX-AWEZNQCLSA-N 1 2 339.399 1.999 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000757023130 579962414 /nfs/dbraw/zinc/96/24/14/579962414.db2.gz IVVMXKLURTVXQE-OLZOCXBDSA-N 1 2 349.456 1.903 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000757023130 579962415 /nfs/dbraw/zinc/96/24/15/579962415.db2.gz IVVMXKLURTVXQE-OLZOCXBDSA-N 1 2 349.456 1.903 20 30 EDEDLO Nc1ncccc1C=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000764690196 580126514 /nfs/dbraw/zinc/12/65/14/580126514.db2.gz LDCWLQNPRWDTLX-UHFFFAOYSA-N 1 2 331.401 1.551 20 30 EDEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)CCCOC)c1=S ZINC000764929766 580131473 /nfs/dbraw/zinc/13/14/73/580131473.db2.gz YEBDLAUFAMHGCT-UHFFFAOYSA-N 1 2 334.449 1.983 20 30 EDEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)CCCOC)c1=S ZINC000764929766 580131474 /nfs/dbraw/zinc/13/14/74/580131474.db2.gz YEBDLAUFAMHGCT-UHFFFAOYSA-N 1 2 334.449 1.983 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)S1 ZINC000765489364 580143780 /nfs/dbraw/zinc/14/37/80/580143780.db2.gz LINSYOMZRDYUSY-GFCCVEGCSA-N 1 2 344.444 1.001 20 30 EDEDLO Cc1cc[nH+]c(N2CCN(Cn3cc4c(c(C#N)c3=O)CCC4)CC2)c1 ZINC000766631767 580170644 /nfs/dbraw/zinc/17/06/44/580170644.db2.gz JFMCYWMDYJUJNX-UHFFFAOYSA-N 1 2 349.438 1.692 20 30 EDEDLO CN(C)c1cc(COC(=O)CCNC(=O)C2N=CC=CC2=O)cc[nH+]1 ZINC000767553601 580192722 /nfs/dbraw/zinc/19/27/22/580192722.db2.gz ARNSFELPLLDJCU-WUKNDPDISA-N 1 2 344.371 1.107 20 30 EDEDLO COCC#CCO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000769842277 580246891 /nfs/dbraw/zinc/24/68/91/580246891.db2.gz LRXXHIPYYHSHCC-UHFFFAOYSA-N 1 2 347.415 1.998 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC000770754562 580270712 /nfs/dbraw/zinc/27/07/12/580270712.db2.gz VGOIZFZGNNWQNE-CYBMUJFWSA-N 1 2 347.365 1.095 20 30 EDEDLO N#Cc1cc(S(N)(=O)=O)ccc1NCCCNc1cccc[nH+]1 ZINC000774514075 580363941 /nfs/dbraw/zinc/36/39/41/580363941.db2.gz JCVCQYLMGIHWGQ-UHFFFAOYSA-N 1 2 331.401 1.515 20 30 EDEDLO C=CC[C@H](NC(=O)C(=O)NCc1cn2ccccc2[nH+]1)c1ccncc1 ZINC000775122446 580383357 /nfs/dbraw/zinc/38/33/57/580383357.db2.gz RSPQQVPESGJKQX-INIZCTEOSA-N 1 2 349.394 1.779 20 30 EDEDLO C#C[C@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000775541106 580393233 /nfs/dbraw/zinc/39/32/33/580393233.db2.gz VXQJBCPFDPMYHQ-WMZOPIPTSA-N 1 2 343.427 1.821 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)[C@H]1CCCO1 ZINC000775801430 580401360 /nfs/dbraw/zinc/40/13/60/580401360.db2.gz XXYKRFHFIZLKOV-CHWSQXEVSA-N 1 2 327.340 1.736 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000778824426 580473116 /nfs/dbraw/zinc/47/31/16/580473116.db2.gz HLUCGJBMKFWIKM-HZPDHXFCSA-N 1 2 349.475 1.799 20 30 EDEDLO C=CC[C@@H](C(=O)N1CC[NH+](CC[S@@](C)=O)CC1)c1ccccc1 ZINC000778916591 580475520 /nfs/dbraw/zinc/47/55/20/580475520.db2.gz GVOWQQIVGNYDON-UZUQRXQVSA-N 1 2 334.485 1.869 20 30 EDEDLO Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000779634791 580492050 /nfs/dbraw/zinc/49/20/50/580492050.db2.gz PDAHKUQOIGRGJN-UHFFFAOYSA-N 1 2 344.318 1.789 20 30 EDEDLO COc1ccc(N[NH+]=Cc2c(C)nn(C)c2N2CCOCC2)nc1 ZINC000780268939 580517284 /nfs/dbraw/zinc/51/72/84/580517284.db2.gz OPBHWDWZHDCHHK-UHFFFAOYSA-N 1 2 330.392 1.415 20 30 EDEDLO CC[C@@H]1CCC[C@@H](C=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000783793766 580606527 /nfs/dbraw/zinc/60/65/27/580606527.db2.gz CDNABZAYSSPNDC-HUUCEWRRSA-N 1 2 326.510 1.985 20 30 EDEDLO COCCC1N=NC(=S)N1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783849647 580607543 /nfs/dbraw/zinc/60/75/43/580607543.db2.gz QUOIHLUJLFODBD-UHFFFAOYSA-N 1 2 334.430 1.885 20 30 EDEDLO C#CCOCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000784544487 580623395 /nfs/dbraw/zinc/62/33/95/580623395.db2.gz IEOLVTCRCWSLPH-UHFFFAOYSA-N 1 2 326.400 1.035 20 30 EDEDLO C#CCOCCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000785891232 580655745 /nfs/dbraw/zinc/65/57/45/580655745.db2.gz AMXHXZQKQMLEHL-UHFFFAOYSA-N 1 2 335.835 1.647 20 30 EDEDLO C#CCOCCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000785891232 580655746 /nfs/dbraw/zinc/65/57/46/580655746.db2.gz AMXHXZQKQMLEHL-UHFFFAOYSA-N 1 2 335.835 1.647 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@@H]1C ZINC000787327001 580693039 /nfs/dbraw/zinc/69/30/39/580693039.db2.gz LBBCIJCIYKKCQI-CHWSQXEVSA-N 1 2 340.383 1.303 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@@H]1C ZINC000787327001 580693040 /nfs/dbraw/zinc/69/30/40/580693040.db2.gz LBBCIJCIYKKCQI-CHWSQXEVSA-N 1 2 340.383 1.303 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CC(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000787651447 580700635 /nfs/dbraw/zinc/70/06/35/580700635.db2.gz DZHPEGSBLGTRQX-LBPRGKRZSA-N 1 2 340.383 1.839 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC[C@@H]3CCO)C2=O)cc1 ZINC000790314280 580766645 /nfs/dbraw/zinc/76/66/45/580766645.db2.gz ANUMYLNXJBMRNQ-IRXDYDNUSA-N 1 2 329.400 1.137 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC[C@@H]3CCO)C2=O)cc1 ZINC000790314280 580766646 /nfs/dbraw/zinc/76/66/46/580766646.db2.gz ANUMYLNXJBMRNQ-IRXDYDNUSA-N 1 2 329.400 1.137 20 30 EDEDLO C[C@H](C(=O)OCc1c[nH+]cn1Cc1ccccc1)n1cnc(C#N)n1 ZINC000798742583 581006411 /nfs/dbraw/zinc/00/64/11/581006411.db2.gz PXDKVKRAVLKRBD-CYBMUJFWSA-N 1 2 336.355 1.699 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(C)[nH+]c2N(C)C)C1=O ZINC000799223403 581022630 /nfs/dbraw/zinc/02/26/30/581022630.db2.gz PSMRTQYTBZGXOO-AWEZNQCLSA-N 1 2 331.420 1.707 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000801918220 581087900 /nfs/dbraw/zinc/08/79/00/581087900.db2.gz ZUTVZFNHOUVRMP-MRXNPFEDSA-N 1 2 336.480 1.324 20 30 EDEDLO C#CC1(O)CN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000891831135 590643468 /nfs/dbraw/zinc/64/34/68/590643468.db2.gz PRTIDNGZFZACML-UHFFFAOYSA-N 1 2 328.416 1.352 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2c(Cl)cc(F)cc2C#N)C1 ZINC000867510335 590777425 /nfs/dbraw/zinc/77/74/25/590777425.db2.gz KAVAHWQQTMPLPS-LLVKDONJSA-N 1 2 348.783 1.390 20 30 EDEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2c(Cl)cc(F)cc2C#N)C1 ZINC000867510335 590777429 /nfs/dbraw/zinc/77/74/29/590777429.db2.gz KAVAHWQQTMPLPS-LLVKDONJSA-N 1 2 348.783 1.390 20 30 EDEDLO C[C@]1(C#N)CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000892310409 590934054 /nfs/dbraw/zinc/93/40/54/590934054.db2.gz LVBDFJKZVZMPKJ-KRWDZBQOSA-N 1 2 343.362 1.835 20 30 EDEDLO C=CCOc1ccc(CC(=O)O[C@@H]2C[N@H+](C)[C@](C)(C(=O)OC)C2)cc1 ZINC000893581266 590985187 /nfs/dbraw/zinc/98/51/87/590985187.db2.gz XASCYSREHPWAPL-LPHOPBHVSA-N 1 2 347.411 1.973 20 30 EDEDLO C=CCOc1ccc(CC(=O)O[C@@H]2C[N@@H+](C)[C@](C)(C(=O)OC)C2)cc1 ZINC000893581266 590985189 /nfs/dbraw/zinc/98/51/89/590985189.db2.gz XASCYSREHPWAPL-LPHOPBHVSA-N 1 2 347.411 1.973 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc(C(F)(F)F)n2)CC1 ZINC000891537880 591112190 /nfs/dbraw/zinc/11/21/90/591112190.db2.gz YXNQGYLHGTVPKR-UHFFFAOYSA-N 1 2 348.394 1.582 20 30 EDEDLO C#CC1(O)CN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000893924186 591139713 /nfs/dbraw/zinc/13/97/13/591139713.db2.gz QVOCAIALQNPRRA-LSDHHAIUSA-N 1 2 335.354 1.100 20 30 EDEDLO C#CC1(O)CN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000893924186 591139716 /nfs/dbraw/zinc/13/97/16/591139716.db2.gz QVOCAIALQNPRRA-LSDHHAIUSA-N 1 2 335.354 1.100 20 30 EDEDLO C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(=O)O1 ZINC000896327732 591428522 /nfs/dbraw/zinc/42/85/22/591428522.db2.gz BDBVATNSBHUITL-CZUORRHYSA-N 1 2 342.399 1.089 20 30 EDEDLO COC(=O)[C@H]1[C@H](C[NH+]2CCN(c3cnccc3C#N)CC2)C1(F)F ZINC000894844505 591440436 /nfs/dbraw/zinc/44/04/36/591440436.db2.gz QUPGAGRNTXMRMT-GXTWGEPZSA-N 1 2 336.342 1.130 20 30 EDEDLO Cn1c[nH+]c(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 ZINC000898629988 591443225 /nfs/dbraw/zinc/44/32/25/591443225.db2.gz ZSANVYFNEOFGRE-QGZVFWFLSA-N 1 2 338.415 1.340 20 30 EDEDLO C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896545259 591506826 /nfs/dbraw/zinc/50/68/26/591506826.db2.gz LHWZXIQWNWBVFT-WMLDXEAASA-N 1 2 326.444 1.340 20 30 EDEDLO C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC000896545259 591506828 /nfs/dbraw/zinc/50/68/28/591506828.db2.gz LHWZXIQWNWBVFT-WMLDXEAASA-N 1 2 326.444 1.340 20 30 EDEDLO COC(=O)CCn1nc(C)c(C[NH2+]Cc2nc(C#N)cs2)c1C ZINC000897629485 591596854 /nfs/dbraw/zinc/59/68/54/591596854.db2.gz VUOOLJNGJIKAKM-UHFFFAOYSA-N 1 2 333.417 1.681 20 30 EDEDLO O=C1[C@H]([NH2+]Cc2nc3ccccn3c2Br)CCCN1O ZINC000895157669 591624039 /nfs/dbraw/zinc/62/40/39/591624039.db2.gz DMAFKVGTJPNQAG-SECBINFHSA-N 1 2 339.193 1.567 20 30 EDEDLO COc1cc(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)ccc1C#N ZINC000897797478 591672860 /nfs/dbraw/zinc/67/28/60/591672860.db2.gz QAUUMBODPOODLH-MRXNPFEDSA-N 1 2 339.399 1.987 20 30 EDEDLO COc1cc(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)ccc1C#N ZINC000897797478 591672862 /nfs/dbraw/zinc/67/28/62/591672862.db2.gz QAUUMBODPOODLH-MRXNPFEDSA-N 1 2 339.399 1.987 20 30 EDEDLO COc1cc(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)ccc1C#N ZINC000897797478 591672865 /nfs/dbraw/zinc/67/28/65/591672865.db2.gz QAUUMBODPOODLH-MRXNPFEDSA-N 1 2 339.399 1.987 20 30 EDEDLO COc1cc(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)ccc1C#N ZINC000897797478 591672867 /nfs/dbraw/zinc/67/28/67/591672867.db2.gz QAUUMBODPOODLH-MRXNPFEDSA-N 1 2 339.399 1.987 20 30 EDEDLO CC[C@H](O)C[NH+]1CCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)CC1 ZINC000900600109 592065522 /nfs/dbraw/zinc/06/55/22/592065522.db2.gz IFQNGXQTZDCHAM-JJEJIETFSA-N 1 2 330.428 1.649 20 30 EDEDLO N#Cc1ccccc1C(F)(F)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000900603961 592066436 /nfs/dbraw/zinc/06/64/36/592066436.db2.gz ZPAJEOPLPKFZTG-CVEARBPZSA-N 1 2 349.381 1.708 20 30 EDEDLO Cc1cc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc(C)c1C#N ZINC000906775056 592327236 /nfs/dbraw/zinc/32/72/36/592327236.db2.gz MYLQHIFBRHMDSX-UHFFFAOYSA-N 1 2 338.415 1.225 20 30 EDEDLO Cc1cc(C(=O)N2CC[NH+](CC[S@@](C)=O)CC2)cc(C)c1C#N ZINC000906783784 592333389 /nfs/dbraw/zinc/33/33/89/592333389.db2.gz QUEYMBVJWJDXRR-HSZRJFAPSA-N 1 2 333.457 1.311 20 30 EDEDLO CNc1[nH+]c(C)ccc1C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000908350696 592458158 /nfs/dbraw/zinc/45/81/58/592458158.db2.gz HFPMQZSJKHWRLY-UHFFFAOYSA-N 1 2 336.399 1.661 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000907062237 592500767 /nfs/dbraw/zinc/50/07/67/592500767.db2.gz CTECUEHJMLURQO-FUHWJXTLSA-N 1 2 348.468 1.399 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000907155163 592539971 /nfs/dbraw/zinc/53/99/71/592539971.db2.gz IZDXEPXFZAHLNI-OAHLLOKOSA-N 1 2 329.425 1.748 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000907155161 592540284 /nfs/dbraw/zinc/54/02/84/592540284.db2.gz IZDXEPXFZAHLNI-HNNXBMFYSA-N 1 2 329.425 1.748 20 30 EDEDLO CO[C@H]1CC[N@H+](Cc2nc(C(=O)N3CCC[C@](C)(C#N)C3)co2)C1 ZINC000907334619 592594190 /nfs/dbraw/zinc/59/41/90/592594190.db2.gz HXRJPQLTQADCMB-SUMWQHHRSA-N 1 2 332.404 1.661 20 30 EDEDLO CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3CCC[C@](C)(C#N)C3)co2)C1 ZINC000907334619 592594192 /nfs/dbraw/zinc/59/41/92/592594192.db2.gz HXRJPQLTQADCMB-SUMWQHHRSA-N 1 2 332.404 1.661 20 30 EDEDLO N#Cc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1F ZINC000905667258 592601321 /nfs/dbraw/zinc/60/13/21/592601321.db2.gz AQSYFLPQKZERAG-ZBFHGGJFSA-N 1 2 333.363 1.516 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000907420485 592642059 /nfs/dbraw/zinc/64/20/59/592642059.db2.gz VBBBKZDKEXLMIS-CVEARBPZSA-N 1 2 336.482 1.526 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000907420485 592642061 /nfs/dbraw/zinc/64/20/61/592642061.db2.gz VBBBKZDKEXLMIS-CVEARBPZSA-N 1 2 336.482 1.526 20 30 EDEDLO C[C@H]([NH2+][C@@H](C)c1cn(C)nn1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000905860844 592659807 /nfs/dbraw/zinc/65/98/07/592659807.db2.gz CPFTVZOFUYTNJD-STQMWFEESA-N 1 2 344.394 1.940 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907949818 592854427 /nfs/dbraw/zinc/85/44/27/592854427.db2.gz FSICVLUVTQFWEE-SJLPKXTDSA-N 1 2 347.459 1.531 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000910556042 592877355 /nfs/dbraw/zinc/87/73/55/592877355.db2.gz YSCVXIZSZANDCS-UHFFFAOYSA-N 1 2 329.444 1.538 20 30 EDEDLO C#CCOc1cccc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000731124901 592921788 /nfs/dbraw/zinc/92/17/88/592921788.db2.gz QPURLFRHSUGROL-CYBMUJFWSA-N 1 2 326.356 1.039 20 30 EDEDLO N#Cc1cccc2c1CCN2C(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000911184683 592944917 /nfs/dbraw/zinc/94/49/17/592944917.db2.gz QGHFRYNPGKCUAC-ZDUSSCGKSA-N 1 2 338.367 1.316 20 30 EDEDLO N#Cc1cccc2c1CCN2C(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000911184683 592944918 /nfs/dbraw/zinc/94/49/18/592944918.db2.gz QGHFRYNPGKCUAC-ZDUSSCGKSA-N 1 2 338.367 1.316 20 30 EDEDLO C[C@@H](C#N)OCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838101885 593124758 /nfs/dbraw/zinc/12/47/58/593124758.db2.gz LZYBLVDGBCPYEF-NSHDSACASA-N 1 2 330.300 1.866 20 30 EDEDLO C=C[C@H](CC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC)c1ccccc1 ZINC000807279939 593159273 /nfs/dbraw/zinc/15/92/73/593159273.db2.gz GGLCDFROMVEPTL-GDBMZVCRSA-N 1 2 327.384 1.901 20 30 EDEDLO C#CC[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000838529374 593180429 /nfs/dbraw/zinc/18/04/29/593180429.db2.gz NGZNSWNPIGCGRF-FGTMMUONSA-N 1 2 327.428 1.913 20 30 EDEDLO C#CC[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000838529374 593180432 /nfs/dbraw/zinc/18/04/32/593180432.db2.gz NGZNSWNPIGCGRF-FGTMMUONSA-N 1 2 327.428 1.913 20 30 EDEDLO COc1ccc([C@]2(C)NC(=O)N(N=Cc3ccc(N)[nH+]c3)C2=O)cc1 ZINC000807954087 593212468 /nfs/dbraw/zinc/21/24/68/593212468.db2.gz IPJAVQMGKZSYMA-KRWDZBQOSA-N 1 2 339.355 1.474 20 30 EDEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000839068300 593258175 /nfs/dbraw/zinc/25/81/75/593258175.db2.gz ORWVPIKUXIIITP-ZFWWWQNUSA-N 1 2 335.791 1.332 20 30 EDEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000839068300 593258178 /nfs/dbraw/zinc/25/81/78/593258178.db2.gz ORWVPIKUXIIITP-ZFWWWQNUSA-N 1 2 335.791 1.332 20 30 EDEDLO C#CCCCS(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000804965909 593322089 /nfs/dbraw/zinc/32/20/89/593322089.db2.gz HWNZUWSPFYFQNU-UHFFFAOYSA-N 1 2 326.487 1.651 20 30 EDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000839617782 593351273 /nfs/dbraw/zinc/35/12/73/593351273.db2.gz BTRWDCUMWZTXCN-OAHLLOKOSA-N 1 2 341.411 1.241 20 30 EDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000839617782 593351275 /nfs/dbraw/zinc/35/12/75/593351275.db2.gz BTRWDCUMWZTXCN-OAHLLOKOSA-N 1 2 341.411 1.241 20 30 EDEDLO CN(C)c1[nH+]cc(C=NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)n1C ZINC000811634000 593475498 /nfs/dbraw/zinc/47/54/98/593475498.db2.gz YWNXLGFPCLFHQC-KRWDZBQOSA-N 1 2 340.387 1.287 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000811822797 593483527 /nfs/dbraw/zinc/48/35/27/593483527.db2.gz MSGZXXOFGOFKSK-UHFFFAOYSA-N 1 2 326.341 1.335 20 30 EDEDLO CCOC(=O)c1ccc(N[NH+]=Cc2c(N)ncnc2OC)cc1C ZINC000812229757 593493042 /nfs/dbraw/zinc/49/30/42/593493042.db2.gz ORYTXPFVFMXSAH-UHFFFAOYSA-N 1 2 329.360 1.999 20 30 EDEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)N(C)C)cc1)c1csc(N)n1 ZINC000812228771 593493159 /nfs/dbraw/zinc/49/31/59/593493159.db2.gz GYMRGKCCBQNMAZ-UHFFFAOYSA-N 1 2 339.446 1.812 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1ccc(OCC#N)cc1 ZINC000840286793 593525418 /nfs/dbraw/zinc/52/54/18/593525418.db2.gz MZIOZZRUSHMQLO-UHFFFAOYSA-N 1 2 346.431 1.499 20 30 EDEDLO O=C(N[C@H]1CCCN(O)C1=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000816756246 593548406 /nfs/dbraw/zinc/54/84/06/593548406.db2.gz SWUGZJJLRIVCDZ-HNNXBMFYSA-N 1 2 327.340 1.984 20 30 EDEDLO O=C(N[C@H]1CCCN(O)C1=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000816757116 593548726 /nfs/dbraw/zinc/54/87/26/593548726.db2.gz LWTXSXBGUGFSKD-LSDHHAIUSA-N 1 2 349.456 1.273 20 30 EDEDLO C#Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000817844374 593640444 /nfs/dbraw/zinc/64/04/44/593640444.db2.gz SLJYSNQDZATMCR-MRXNPFEDSA-N 1 2 336.395 1.034 20 30 EDEDLO COCC[N@@H+](CCC#N)CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821688961 593914860 /nfs/dbraw/zinc/91/48/60/593914860.db2.gz FPXQOZYUHVEJQL-UHFFFAOYSA-N 1 2 330.392 1.498 20 30 EDEDLO COCC[N@H+](CCC#N)CCCOc1cccc(-c2nn[nH]n2)c1 ZINC000821688961 593914862 /nfs/dbraw/zinc/91/48/62/593914862.db2.gz FPXQOZYUHVEJQL-UHFFFAOYSA-N 1 2 330.392 1.498 20 30 EDEDLO C#CC[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(=O)OC ZINC000821118336 593970102 /nfs/dbraw/zinc/97/01/02/593970102.db2.gz IRVUDFSJHOTJFY-LSDHHAIUSA-N 1 2 325.368 1.613 20 30 EDEDLO Cc1ccc(-c2nn[nH]n2)c(N2CCN(c3ncccc3C#N)CC2)[nH+]1 ZINC000822214903 594011444 /nfs/dbraw/zinc/01/14/44/594011444.db2.gz COQMERNJHLPYFI-UHFFFAOYSA-N 1 2 347.386 1.163 20 30 EDEDLO CC1(C#N)CC[NH+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824778417 594072945 /nfs/dbraw/zinc/07/29/45/594072945.db2.gz OLKKRSXJWQJXTD-CYBMUJFWSA-N 1 2 325.376 1.019 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2NC(C)=O)CC1 ZINC000823306701 594183249 /nfs/dbraw/zinc/18/32/49/594183249.db2.gz WVTMFIRNFAPGFZ-UHFFFAOYSA-N 1 2 348.334 1.083 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC000825512397 594195235 /nfs/dbraw/zinc/19/52/35/594195235.db2.gz CWJIZLNNWFIUCW-HNNXBMFYSA-N 1 2 343.408 1.555 20 30 EDEDLO C#CCNC(=O)C1CCN(C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000825899405 594272359 /nfs/dbraw/zinc/27/23/59/594272359.db2.gz AMBXJVDZPXLZEY-UHFFFAOYSA-N 1 2 339.399 1.636 20 30 EDEDLO N#CCCCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826381502 594452020 /nfs/dbraw/zinc/45/20/20/594452020.db2.gz OCJUECILMKRSJM-UHFFFAOYSA-N 1 2 325.420 1.678 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826551780 594523285 /nfs/dbraw/zinc/52/32/85/594523285.db2.gz PQIUEVTZEZKIAZ-SJLPKXTDSA-N 1 2 330.428 1.350 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826551780 594523286 /nfs/dbraw/zinc/52/32/86/594523286.db2.gz PQIUEVTZEZKIAZ-SJLPKXTDSA-N 1 2 330.428 1.350 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)cc1 ZINC000829052676 594558358 /nfs/dbraw/zinc/55/83/58/594558358.db2.gz AMTUCMMNLBSEPZ-ROUUACIJSA-N 1 2 348.406 1.998 20 30 EDEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000832190494 594733875 /nfs/dbraw/zinc/73/38/75/594733875.db2.gz GALNVCPPYXWLBB-ZDUSSCGKSA-N 1 2 340.387 1.319 20 30 EDEDLO CCCCC[C@@H](C)NC(=O)CON=C(N)C[NH+]1CCSCC1 ZINC000121505129 594886753 /nfs/dbraw/zinc/88/67/53/594886753.db2.gz NURPZRSSYKDWBS-CYBMUJFWSA-N 1 2 330.498 1.409 20 30 EDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCNc1ccc(C#N)cn1 ZINC000836239238 594941586 /nfs/dbraw/zinc/94/15/86/594941586.db2.gz LVXZSISNRGFPQV-GFCCVEGCSA-N 1 2 327.392 1.642 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CN(C(=O)[O-])C3)CC2)cc1 ZINC000833972253 594978278 /nfs/dbraw/zinc/97/82/78/594978278.db2.gz XIMVXQIFFHQOBR-UHFFFAOYSA-N 1 2 328.416 1.722 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)C1=O ZINC000842235549 595048138 /nfs/dbraw/zinc/04/81/38/595048138.db2.gz HTOLVWUWSHUZDJ-DLBZAZTESA-N 1 2 341.411 1.312 20 30 EDEDLO C#CC[C@H]1NC(=O)N([C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1=O ZINC000842236261 595048262 /nfs/dbraw/zinc/04/82/62/595048262.db2.gz QUKGOVSXXFVENE-SJORKVTESA-N 1 2 341.411 1.312 20 30 EDEDLO O=C(C#CC1CC1)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000837383799 595096245 /nfs/dbraw/zinc/09/62/45/595096245.db2.gz OKJWTUGGQKAWIB-UHFFFAOYSA-N 1 2 338.411 1.790 20 30 EDEDLO Cc1cc(C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)ncc1C#N ZINC000837436286 595110863 /nfs/dbraw/zinc/11/08/63/595110863.db2.gz RMDWEWNMFPEJCX-LBPRGKRZSA-N 1 2 329.429 1.511 20 30 EDEDLO C[C@H](O[NH+]=C(N)COC[C@H]1CCOC1)C(=O)Nc1cccc(C#N)c1 ZINC000842661011 595163192 /nfs/dbraw/zinc/16/31/92/595163192.db2.gz DVBMXBIRCXRAGK-JSGCOSHPSA-N 1 2 346.387 1.437 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000834585449 595169536 /nfs/dbraw/zinc/16/95/36/595169536.db2.gz AWHCRJAIAIIBFA-OAHLLOKOSA-N 1 2 328.416 1.262 20 30 EDEDLO COc1cc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000834709058 595195771 /nfs/dbraw/zinc/19/57/71/595195771.db2.gz KITSDYHNPHVPRA-OKILXGFUSA-N 1 2 331.416 1.748 20 30 EDEDLO COc1cc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000834709058 595195773 /nfs/dbraw/zinc/19/57/73/595195773.db2.gz KITSDYHNPHVPRA-OKILXGFUSA-N 1 2 331.416 1.748 20 30 EDEDLO Nc1ccc2c([nH+]1)CCCC2=NNS(=O)(=O)CCc1ccccc1 ZINC000834959999 595243512 /nfs/dbraw/zinc/24/35/12/595243512.db2.gz AZHYKVHRWAEFDB-UHFFFAOYSA-N 1 2 344.440 1.866 20 30 EDEDLO CC1(C)CC(=O)C(=CNNc2ncc(Br)c[nH+]2)C(=O)C1 ZINC000846755822 595313025 /nfs/dbraw/zinc/31/30/25/595313025.db2.gz SGTFEVGGPOEOJK-UHFFFAOYSA-N 1 2 339.193 1.998 20 30 EDEDLO CCOC(=O)c1noc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)n1 ZINC000844372411 595332798 /nfs/dbraw/zinc/33/27/98/595332798.db2.gz YHNPFXMYPRFAEO-ZDUSSCGKSA-N 1 2 330.344 1.283 20 30 EDEDLO CCOC(=O)c1noc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)n1 ZINC000844372411 595332800 /nfs/dbraw/zinc/33/28/00/595332800.db2.gz YHNPFXMYPRFAEO-ZDUSSCGKSA-N 1 2 330.344 1.283 20 30 EDEDLO CCN1C[C@@H](C[NH+]2CCN(c3snc(C)c3C#N)CC2)OC1=O ZINC000846909060 595335590 /nfs/dbraw/zinc/33/55/90/595335590.db2.gz FFSKXRWKWJXBSW-GFCCVEGCSA-N 1 2 335.433 1.286 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@H](c1ccccc1)N1CCOC1=O ZINC000844529105 595355868 /nfs/dbraw/zinc/35/58/68/595355868.db2.gz NEDDSNOQPJSNJL-QAPCUYQASA-N 1 2 344.415 1.530 20 30 EDEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(Br)n1 ZINC000844529329 595355886 /nfs/dbraw/zinc/35/58/86/595355886.db2.gz RBCGRPOUMPYQPF-CYBMUJFWSA-N 1 2 325.210 1.726 20 30 EDEDLO C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000855084752 595596561 /nfs/dbraw/zinc/59/65/61/595596561.db2.gz CFQOMUHOHZQYCW-LLVKDONJSA-N 1 2 342.311 1.075 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H](O)c1ccc(C#N)cc1)C(C)(C)CO ZINC000855112274 595598830 /nfs/dbraw/zinc/59/88/30/595598830.db2.gz CWUSMIZIFPIFKN-LSDHHAIUSA-N 1 2 342.399 1.201 20 30 EDEDLO Cc1ccc(O[C@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)nc1 ZINC000858033681 595687502 /nfs/dbraw/zinc/68/75/02/595687502.db2.gz VKDMKFFZPHKMCI-MAUKXSAKSA-N 1 2 328.416 1.652 20 30 EDEDLO Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)nc1 ZINC000858033681 595687504 /nfs/dbraw/zinc/68/75/04/595687504.db2.gz VKDMKFFZPHKMCI-MAUKXSAKSA-N 1 2 328.416 1.652 20 30 EDEDLO CO[C@@H](C=NNC(=S)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000853263357 595722288 /nfs/dbraw/zinc/72/22/88/595722288.db2.gz IJZVLXXODHCZAS-HNNXBMFYSA-N 1 2 342.509 1.364 20 30 EDEDLO CC(C)n1cc[nH+]c1CN=Nc1ccc(S(=O)(=O)NC2CC2)cn1 ZINC000853287967 595728739 /nfs/dbraw/zinc/72/87/39/595728739.db2.gz AEPVNTXQDOOHHW-UHFFFAOYSA-N 1 2 348.432 1.746 20 30 EDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)C1 ZINC000853526535 595785276 /nfs/dbraw/zinc/78/52/76/595785276.db2.gz SOWCIJXMPKWMRA-HOTGVXAUSA-N 1 2 326.400 1.733 20 30 EDEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)C1 ZINC000853526535 595785278 /nfs/dbraw/zinc/78/52/78/595785278.db2.gz SOWCIJXMPKWMRA-HOTGVXAUSA-N 1 2 326.400 1.733 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000853619504 595834286 /nfs/dbraw/zinc/83/42/86/595834286.db2.gz DVLZQSNYGMHHBJ-UHFFFAOYSA-N 1 2 335.404 1.039 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000853619504 595834289 /nfs/dbraw/zinc/83/42/89/595834289.db2.gz DVLZQSNYGMHHBJ-UHFFFAOYSA-N 1 2 335.404 1.039 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1snc(Cl)c1C#N ZINC000858685918 595864769 /nfs/dbraw/zinc/86/47/69/595864769.db2.gz IMNUUTQXVKKYBV-CQSZACIVSA-N 1 2 342.852 1.696 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1snc(Cl)c1C#N ZINC000858685918 595864773 /nfs/dbraw/zinc/86/47/73/595864773.db2.gz IMNUUTQXVKKYBV-CQSZACIVSA-N 1 2 342.852 1.696 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000851822145 595935497 /nfs/dbraw/zinc/93/54/97/595935497.db2.gz IRQSPTIVHRWVOK-MRXNPFEDSA-N 1 2 339.399 1.674 20 30 EDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000853990917 595943898 /nfs/dbraw/zinc/94/38/98/595943898.db2.gz XPUFWSXONJCVPO-YPMHNXCESA-N 1 2 348.407 1.310 20 30 EDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000853990917 595943901 /nfs/dbraw/zinc/94/39/01/595943901.db2.gz XPUFWSXONJCVPO-YPMHNXCESA-N 1 2 348.407 1.310 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000859026345 595953860 /nfs/dbraw/zinc/95/38/60/595953860.db2.gz LJEXBHLKORMIAV-INIZCTEOSA-N 1 2 346.431 1.146 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000859027474 595954414 /nfs/dbraw/zinc/95/44/14/595954414.db2.gz JIXVPSOVHMBCOZ-HOTGVXAUSA-N 1 2 344.390 1.986 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856613944 596035727 /nfs/dbraw/zinc/03/57/27/596035727.db2.gz KSBNGNYAUKBPLK-RBUKOAKNSA-N 1 2 347.418 1.587 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(C#N)ccc1F)C2 ZINC000854414263 596070348 /nfs/dbraw/zinc/07/03/48/596070348.db2.gz YGUFAJNYSZENAX-ZDUSSCGKSA-N 1 2 342.374 1.482 20 30 EDEDLO C#C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCOCC1 ZINC000852227411 596091828 /nfs/dbraw/zinc/09/18/28/596091828.db2.gz ZYQYEEQUIRTPNP-HOTGVXAUSA-N 1 2 328.416 1.388 20 30 EDEDLO CCOC(=O)[C@@]1(F)C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC12CCC2 ZINC000852318587 596124525 /nfs/dbraw/zinc/12/45/25/596124525.db2.gz SQLRVFBAXALACB-GUYCJALGSA-N 1 2 339.411 1.504 20 30 EDEDLO CCOC(=O)[C@@]1(F)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC12CCC2 ZINC000852318587 596124528 /nfs/dbraw/zinc/12/45/28/596124528.db2.gz SQLRVFBAXALACB-GUYCJALGSA-N 1 2 339.411 1.504 20 30 EDEDLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333889 596128694 /nfs/dbraw/zinc/12/86/94/596128694.db2.gz XNMJDDNHNXUESK-JZXOWHBKSA-N 1 2 333.432 1.351 20 30 EDEDLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333889 596128698 /nfs/dbraw/zinc/12/86/98/596128698.db2.gz XNMJDDNHNXUESK-JZXOWHBKSA-N 1 2 333.432 1.351 20 30 EDEDLO N#Cc1c[nH]c2cc(C(=O)N3CCC[C@@H]([NH+]4CCOCC4)C3)ccc12 ZINC000868631923 596254162 /nfs/dbraw/zinc/25/41/62/596254162.db2.gz RMAVCYZTZAXEPH-MRXNPFEDSA-N 1 2 338.411 1.976 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnc4nccn4c3)CC2)cc1 ZINC000864537365 596256415 /nfs/dbraw/zinc/25/64/15/596256415.db2.gz GEVAPMTXNQODPJ-UHFFFAOYSA-N 1 2 346.394 1.559 20 30 EDEDLO CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000862458770 596332960 /nfs/dbraw/zinc/33/29/60/596332960.db2.gz IZOMWKXXQNQWCH-BBRMVZONSA-N 1 2 332.404 1.107 20 30 EDEDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000862458770 596332963 /nfs/dbraw/zinc/33/29/63/596332963.db2.gz IZOMWKXXQNQWCH-BBRMVZONSA-N 1 2 332.404 1.107 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867712276 596509891 /nfs/dbraw/zinc/50/98/91/596509891.db2.gz XYOPDGDVMZBTNL-CQSZACIVSA-N 1 2 325.409 1.579 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867712276 596509892 /nfs/dbraw/zinc/50/98/92/596509892.db2.gz XYOPDGDVMZBTNL-CQSZACIVSA-N 1 2 325.409 1.579 20 30 EDEDLO C#CC[C@H]1NC(=O)N(Cc2cc[nH+]c(N3CCSCC3)c2)C1=O ZINC000865318064 596537289 /nfs/dbraw/zinc/53/72/89/596537289.db2.gz UXSVDKGQQYSKAT-CYBMUJFWSA-N 1 2 330.413 1.079 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1=O ZINC000865330633 596542037 /nfs/dbraw/zinc/54/20/37/596542037.db2.gz FWBAOHJVIGAJRN-IRXDYDNUSA-N 1 2 341.411 1.140 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1=O ZINC000865330633 596542040 /nfs/dbraw/zinc/54/20/40/596542040.db2.gz FWBAOHJVIGAJRN-IRXDYDNUSA-N 1 2 341.411 1.140 20 30 EDEDLO CC(C)N1C(=O)C(=O)N(C[N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000863336160 596554925 /nfs/dbraw/zinc/55/49/25/596554925.db2.gz ODTPHLPDWOJLTP-UHFFFAOYSA-N 1 2 340.383 1.267 20 30 EDEDLO CC(C)N1C(=O)C(=O)N(C[N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000863336160 596554927 /nfs/dbraw/zinc/55/49/27/596554927.db2.gz ODTPHLPDWOJLTP-UHFFFAOYSA-N 1 2 340.383 1.267 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cn1 ZINC000871542158 596620392 /nfs/dbraw/zinc/62/03/92/596620392.db2.gz ZIKPURPBNMRHOM-UHFFFAOYSA-N 1 2 343.427 1.599 20 30 EDEDLO CCCNc1cc(N2CCN(c3c(C#N)c(C)nn3C)CC2)nc[nH+]1 ZINC000865718169 596659091 /nfs/dbraw/zinc/65/90/91/596659091.db2.gz BWFJURUTXUOARP-UHFFFAOYSA-N 1 2 340.435 1.539 20 30 EDEDLO CCCNc1cc(N2CCN(c3c(C#N)c(C)nn3C)CC2)[nH+]cn1 ZINC000865718169 596659093 /nfs/dbraw/zinc/65/90/93/596659093.db2.gz BWFJURUTXUOARP-UHFFFAOYSA-N 1 2 340.435 1.539 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCN[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000871938066 596751386 /nfs/dbraw/zinc/75/13/86/596751386.db2.gz MFDQGUSBIAKCDV-DLBZAZTESA-N 1 2 331.416 1.473 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCN[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000871938066 596751389 /nfs/dbraw/zinc/75/13/89/596751389.db2.gz MFDQGUSBIAKCDV-DLBZAZTESA-N 1 2 331.416 1.473 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000123981547 596826762 /nfs/dbraw/zinc/82/67/62/596826762.db2.gz SBRXRFZWFJEPAN-SWLSCSKDSA-N 1 2 331.482 1.184 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000123981547 596826765 /nfs/dbraw/zinc/82/67/65/596826765.db2.gz SBRXRFZWFJEPAN-SWLSCSKDSA-N 1 2 331.482 1.184 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000866150400 596805644 /nfs/dbraw/zinc/80/56/44/596805644.db2.gz LPGWYRQJJPQMJE-GOSISDBHSA-N 1 2 343.383 1.772 20 30 EDEDLO CCN1C(=O)CN(C[N@H+](CCOC)Cc2ccc(C#N)cc2)C1=O ZINC000122168503 596856149 /nfs/dbraw/zinc/85/61/49/596856149.db2.gz NUFWTKSYSWRWGZ-UHFFFAOYSA-N 1 2 330.388 1.248 20 30 EDEDLO CCN1C(=O)CN(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)C1=O ZINC000122168503 596856154 /nfs/dbraw/zinc/85/61/54/596856154.db2.gz NUFWTKSYSWRWGZ-UHFFFAOYSA-N 1 2 330.388 1.248 20 30 EDEDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000866406465 596877863 /nfs/dbraw/zinc/87/78/63/596877863.db2.gz BQTCUPUVHCKJLL-UHFFFAOYSA-N 1 2 325.409 1.660 20 30 EDEDLO CC(N=Nc1ncnc2c1c(Br)nn2C)c1cn(C)c[nH+]1 ZINC000872348545 596883645 /nfs/dbraw/zinc/88/36/45/596883645.db2.gz JAJINZVLEBCWKW-UHFFFAOYSA-N 1 2 349.196 1.695 20 30 EDEDLO FC(F)(F)CNC(=S)NN=C1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872346554 596883684 /nfs/dbraw/zinc/88/36/84/596883684.db2.gz CWGCWDWIVSDEEM-VIFPVBQESA-N 1 2 326.413 1.580 20 30 EDEDLO FC(F)(F)CNC(=S)NN=C1CCC[N@H+]2CCSC[C@@H]12 ZINC000872346554 596883685 /nfs/dbraw/zinc/88/36/85/596883685.db2.gz CWGCWDWIVSDEEM-VIFPVBQESA-N 1 2 326.413 1.580 20 30 EDEDLO C#C[C@@H](NC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1)C(C)C ZINC000875593156 596908522 /nfs/dbraw/zinc/90/85/22/596908522.db2.gz AWDKDBFNBWVLGZ-ARFHVFGLSA-N 1 2 328.416 1.204 20 30 EDEDLO C#C[C@H](NC(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@@H]2C1)C(C)C ZINC000875594923 596909871 /nfs/dbraw/zinc/90/98/71/596909871.db2.gz UGDWEXOQTHSKAF-IKGGRYGDSA-N 1 2 342.443 1.858 20 30 EDEDLO Cc1ccc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c1 ZINC000872466372 596922185 /nfs/dbraw/zinc/92/21/85/596922185.db2.gz YZTPMLOYWUAIAI-CYBMUJFWSA-N 1 2 330.413 1.778 20 30 EDEDLO Cc1ccc(S(=O)(=O)NC(C)(C)C[NH+]2CCOCC2)c(C#N)c1 ZINC000872498281 596937799 /nfs/dbraw/zinc/93/77/99/596937799.db2.gz VPLZENMWEQIKRL-UHFFFAOYSA-N 1 2 337.445 1.256 20 30 EDEDLO N#Cc1cccc(OC2CC[NH+](CN3CC4(COC4)CC3=O)CC2)c1 ZINC000872576425 596972076 /nfs/dbraw/zinc/97/20/76/596972076.db2.gz KKUPNECTEXOBLE-UHFFFAOYSA-N 1 2 341.411 1.608 20 30 EDEDLO COC(=O)c1nn(C[NH+]2CCN(CCC#N)CC2)c2ccccc21 ZINC000872733774 597051248 /nfs/dbraw/zinc/05/12/48/597051248.db2.gz MFEUQJGWYQUVLE-UHFFFAOYSA-N 1 2 327.388 1.312 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C(=O)[C@H]4CCCCC[C@H]43)CC2)cn1 ZINC000872793042 597072425 /nfs/dbraw/zinc/07/24/25/597072425.db2.gz IWQSLPVNVKIZIL-ZWKOTPCHSA-N 1 2 339.443 1.824 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000874711290 597156100 /nfs/dbraw/zinc/15/61/00/597156100.db2.gz OXAFZZCOSDUSJG-FGTMMUONSA-N 1 2 327.428 1.889 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000874711290 597156101 /nfs/dbraw/zinc/15/61/01/597156101.db2.gz OXAFZZCOSDUSJG-FGTMMUONSA-N 1 2 327.428 1.889 20 30 EDEDLO CS(=O)(=O)NC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876557078 597240180 /nfs/dbraw/zinc/24/01/80/597240180.db2.gz ZWIOQOIGRHEEIJ-UHFFFAOYSA-N 1 2 328.825 1.120 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000873287478 597248892 /nfs/dbraw/zinc/24/88/92/597248892.db2.gz YXKMGFSWBNYEIU-ZOBUZTSGSA-N 1 2 346.475 1.173 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CCN(Cc2nccn2C)CC1 ZINC000876693385 597290676 /nfs/dbraw/zinc/29/06/76/597290676.db2.gz CVBORSCGFNDOIY-UHFFFAOYSA-N 1 2 338.459 1.676 20 30 EDEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000873650204 597330925 /nfs/dbraw/zinc/33/09/25/597330925.db2.gz UDLPBWFOYKBSJM-UHFFFAOYSA-N 1 2 329.335 1.347 20 30 EDEDLO C#CCCCCC[NH+]1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000877895844 597562625 /nfs/dbraw/zinc/56/26/25/597562625.db2.gz KYJDZGWRTFQZDM-UHFFFAOYSA-N 1 2 339.461 1.791 20 30 EDEDLO C=CC[C@H](C(=O)OC)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000877900956 597562881 /nfs/dbraw/zinc/56/28/81/597562881.db2.gz ZHPSXDTWTBDFBT-HZPDHXFCSA-N 1 2 337.464 1.123 20 30 EDEDLO CC(C)(O)C[C@@H](O)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000878208954 597587106 /nfs/dbraw/zinc/58/71/06/597587106.db2.gz CDCDVSKZXYVHQN-CYBMUJFWSA-N 1 2 334.420 1.068 20 30 EDEDLO C=CC[N@H+](C[C@H]1CCC2(CCOCC2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000878242352 597589409 /nfs/dbraw/zinc/58/94/09/597589409.db2.gz PKKGVUCZFKCKPY-JKSUJKDBSA-N 1 2 343.489 1.637 20 30 EDEDLO C=CC[N@@H+](C[C@H]1CCC2(CCOCC2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000878242352 597589410 /nfs/dbraw/zinc/58/94/10/597589410.db2.gz PKKGVUCZFKCKPY-JKSUJKDBSA-N 1 2 343.489 1.637 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000881437638 597617921 /nfs/dbraw/zinc/61/79/21/597617921.db2.gz MKSJCAODSLYVKW-FQEVSTJZSA-N 1 2 338.451 1.975 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000881437638 597617928 /nfs/dbraw/zinc/61/79/28/597617928.db2.gz MKSJCAODSLYVKW-FQEVSTJZSA-N 1 2 338.451 1.975 20 30 EDEDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000879332528 597888552 /nfs/dbraw/zinc/88/85/52/597888552.db2.gz LIJDCTUAPGFXQN-AWEZNQCLSA-N 1 2 335.452 1.113 20 30 EDEDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000879332528 597888555 /nfs/dbraw/zinc/88/85/55/597888555.db2.gz LIJDCTUAPGFXQN-AWEZNQCLSA-N 1 2 335.452 1.113 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000884061204 597983023 /nfs/dbraw/zinc/98/30/23/597983023.db2.gz YWNGJMOFSKJPOP-VIFPVBQESA-N 1 2 328.271 1.393 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(OC)ccc1OC(F)F ZINC000884075027 597986691 /nfs/dbraw/zinc/98/66/91/597986691.db2.gz KODACPGEQABBHT-JTQLQIEISA-N 1 2 344.314 1.682 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000884145059 598006940 /nfs/dbraw/zinc/00/69/40/598006940.db2.gz BFHYTFGVDIYKHO-IKGGRYGDSA-N 1 2 330.428 1.961 20 30 EDEDLO C[C@@H](CNC(=O)NC(C)(C)Cc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000914067014 695055263 /nfs/dbraw/zinc/05/52/63/695055263.db2.gz JOPFRAPUWUFABP-HNNXBMFYSA-N 1 2 344.459 1.899 20 30 EDEDLO CC(C)(C#N)CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000914255584 695316574 /nfs/dbraw/zinc/31/65/74/695316574.db2.gz QPQHBVZZFQFUNW-KBPBESRZSA-N 1 2 329.466 1.099 20 30 EDEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031276247 696103935 /nfs/dbraw/zinc/10/39/35/696103935.db2.gz RXSXTBVDNCWOCW-OAHLLOKOSA-N 1 2 343.427 1.323 20 30 EDEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)[C@@H]1C ZINC000993499292 696178483 /nfs/dbraw/zinc/17/84/83/696178483.db2.gz ONMJYNXYUWAPHP-GDBMZVCRSA-N 1 2 345.443 1.580 20 30 EDEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)[C@@H]1C ZINC000993499292 696178485 /nfs/dbraw/zinc/17/84/85/696178485.db2.gz ONMJYNXYUWAPHP-GDBMZVCRSA-N 1 2 345.443 1.580 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCCC2=O)[C@H]1C ZINC000993531921 696208977 /nfs/dbraw/zinc/20/89/77/696208977.db2.gz OSJIBNWJLINRKF-ZIAGYGMSSA-N 1 2 327.856 1.721 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCC2=O)[C@H]1C ZINC000993531921 696208979 /nfs/dbraw/zinc/20/89/79/696208979.db2.gz OSJIBNWJLINRKF-ZIAGYGMSSA-N 1 2 327.856 1.721 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)NC1CCC(Nc2cncc(C#N)n2)CC1 ZINC001060598993 696245107 /nfs/dbraw/zinc/24/51/07/696245107.db2.gz NRXDSUBBDORSJT-UHFFFAOYSA-N 1 2 339.403 1.164 20 30 EDEDLO C[C@H](C#N)C(=O)N[C@@H](C)c1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001060616517 696393024 /nfs/dbraw/zinc/39/30/24/696393024.db2.gz RFPQRHWWZSCTIW-OLZOCXBDSA-N 1 2 339.399 1.605 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnc(C)cn3)[C@H]2C)nc1 ZINC000994243765 696616736 /nfs/dbraw/zinc/61/67/36/696616736.db2.gz TZQMWSKXELRVHN-YJBOKZPZSA-N 1 2 349.438 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnc(C)cn3)[C@H]2C)nc1 ZINC000994243765 696616737 /nfs/dbraw/zinc/61/67/37/696616737.db2.gz TZQMWSKXELRVHN-YJBOKZPZSA-N 1 2 349.438 1.944 20 30 EDEDLO C[C@H]1[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CCCN1CC#N ZINC000994499436 696942536 /nfs/dbraw/zinc/94/25/36/696942536.db2.gz PCPBOAXLAXFILS-DZGCQCFKSA-N 1 2 332.473 1.599 20 30 EDEDLO C[C@H]1[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)CCCN1CC#N ZINC000994499436 696942537 /nfs/dbraw/zinc/94/25/37/696942537.db2.gz PCPBOAXLAXFILS-DZGCQCFKSA-N 1 2 332.473 1.599 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1COCCO1 ZINC001031554832 697240794 /nfs/dbraw/zinc/24/07/94/697240794.db2.gz KFMGBXWECSNGMS-KRWDZBQOSA-N 1 2 348.830 1.155 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031578015 697274513 /nfs/dbraw/zinc/27/45/13/697274513.db2.gz GEPJGCNRLUFWQC-LSDHHAIUSA-N 1 2 345.374 1.054 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3cncnc3)C2)ccc1F ZINC001031627830 697365628 /nfs/dbraw/zinc/36/56/28/697365628.db2.gz VAFCFLBNOLLQDI-UHFFFAOYSA-N 1 2 325.347 1.349 20 30 EDEDLO Cc1c[nH]nc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031659666 697428118 /nfs/dbraw/zinc/42/81/18/697428118.db2.gz MXLJQPDKLARJHW-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO Cc1cn(C)nc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031660161 697434273 /nfs/dbraw/zinc/43/42/73/697434273.db2.gz CIFYXVVDNJRMHM-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1COC2 ZINC001031687225 697523661 /nfs/dbraw/zinc/52/36/61/697523661.db2.gz QIVKYSAZHXBGPG-LPHOPBHVSA-N 1 2 344.842 1.776 20 30 EDEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000921414011 697598234 /nfs/dbraw/zinc/59/82/34/697598234.db2.gz ZSMVMNDJXYHEHB-SNVBAGLBSA-N 1 2 333.335 1.559 20 30 EDEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000921414011 697598235 /nfs/dbraw/zinc/59/82/35/697598235.db2.gz ZSMVMNDJXYHEHB-SNVBAGLBSA-N 1 2 333.335 1.559 20 30 EDEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCCCN(C(=O)[C@@H](C)C#N)C1 ZINC000943340130 698159275 /nfs/dbraw/zinc/15/92/75/698159275.db2.gz RJMLWQHVTDCOJM-ZFWWWQNUSA-N 1 2 344.415 1.290 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000943512143 698424622 /nfs/dbraw/zinc/42/46/22/698424622.db2.gz OOUHKLAPXYEGHG-AWEZNQCLSA-N 1 2 330.432 1.806 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)CC2)C1 ZINC000941479714 701552988 /nfs/dbraw/zinc/55/29/88/701552988.db2.gz RDGXMCRSCOAUDG-ZWKOTPCHSA-N 1 2 329.488 1.686 20 30 EDEDLO CCc1nn(C)cc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031753960 698983055 /nfs/dbraw/zinc/98/30/55/698983055.db2.gz HTNMLPLHMDIPCO-UHFFFAOYSA-N 1 2 336.439 1.696 20 30 EDEDLO C=CCOc1ccccc1C(=O)NCC1C[NH+](CC(=O)N(C)C)C1 ZINC001031777839 699172121 /nfs/dbraw/zinc/17/21/21/699172121.db2.gz BQQGSMPFRKPQBI-UHFFFAOYSA-N 1 2 331.416 1.001 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)[C@H](C)CO4)CC2)C1 ZINC000941528798 701571714 /nfs/dbraw/zinc/57/17/14/701571714.db2.gz AOIFZFYJBCNBDO-OAHLLOKOSA-N 1 2 339.439 1.258 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)C1 ZINC000941548210 701576749 /nfs/dbraw/zinc/57/67/49/701576749.db2.gz WZZAMMYLZJPDLB-UHFFFAOYSA-N 1 2 349.837 1.483 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccsc3C)CC2)C1 ZINC000941595490 701587282 /nfs/dbraw/zinc/58/72/82/701587282.db2.gz KNPCONXWARUCJZ-UHFFFAOYSA-N 1 2 331.485 1.451 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](CC)Cc3ccccc3)CC2)C1 ZINC000941587261 701591200 /nfs/dbraw/zinc/59/12/00/701591200.db2.gz NRSNLQXEASHEDR-LJQANCHMSA-N 1 2 339.483 1.717 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3ccc(CC)cc3)CC2)C1 ZINC000941607395 701594953 /nfs/dbraw/zinc/59/49/53/701594953.db2.gz MYQIFVQDERFTLG-KRWDZBQOSA-N 1 2 339.483 1.814 20 30 EDEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939308400 699495696 /nfs/dbraw/zinc/49/56/96/699495696.db2.gz VLRHZUHISABSQR-CQSZACIVSA-N 1 2 341.415 1.313 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3ccccc3F)CC2)C1 ZINC000941610927 701596013 /nfs/dbraw/zinc/59/60/13/701596013.db2.gz DGIICXPELRVOMJ-OAHLLOKOSA-N 1 2 329.419 1.391 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3ccccc3F)CC2)C1 ZINC000941611281 701596085 /nfs/dbraw/zinc/59/60/85/701596085.db2.gz VNWZCYCMLPDVGP-INIZCTEOSA-N 1 2 343.446 1.781 20 30 EDEDLO C=C(C)CN1CC(N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)C1 ZINC000941640858 701599694 /nfs/dbraw/zinc/59/96/94/701599694.db2.gz GRNVYQIBAGLMNX-UHFFFAOYSA-N 1 2 343.475 1.166 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3ccc(C)cc3)CC2)C1 ZINC000941641715 701608710 /nfs/dbraw/zinc/60/87/10/701608710.db2.gz GCXFKPOXVADXBE-SFHVURJKSA-N 1 2 339.483 1.950 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3)CC2)C1 ZINC000941661850 701609671 /nfs/dbraw/zinc/60/96/71/701609671.db2.gz LJOPKLCPDFTMEJ-OAHLLOKOSA-N 1 2 345.418 1.055 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4[nH]ccc4s3)CC2)C1 ZINC000941653258 701612505 /nfs/dbraw/zinc/61/25/05/701612505.db2.gz LIEOTDANJYMFNT-UHFFFAOYSA-N 1 2 342.468 1.695 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3cccc(F)c3)CC2)C1 ZINC000941672354 701613746 /nfs/dbraw/zinc/61/37/46/701613746.db2.gz TXXHMJFCWPXFCX-HNNXBMFYSA-N 1 2 329.419 1.391 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3Oc4ccccc4[C@@H]3C)CC2)C1 ZINC000941687989 701633208 /nfs/dbraw/zinc/63/32/08/701633208.db2.gz VNCDPSMTZUKWMK-HNAYVOBHSA-N 1 2 339.439 1.013 20 30 EDEDLO COc1nn(C)cc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031897741 700754676 /nfs/dbraw/zinc/75/46/76/700754676.db2.gz YUJNMOLMEGHEBS-UHFFFAOYSA-N 1 2 339.399 1.162 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCn2cncn2)s1 ZINC001032283239 701348976 /nfs/dbraw/zinc/34/89/76/701348976.db2.gz UGCCOUCGOOVWQA-STQMWFEESA-N 1 2 342.428 1.087 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCn2cncn2)s1 ZINC001032283239 701348977 /nfs/dbraw/zinc/34/89/77/701348977.db2.gz UGCCOUCGOOVWQA-STQMWFEESA-N 1 2 342.428 1.087 20 30 EDEDLO Cc1ccc(C[NH+]2CC(N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)cc1F ZINC000941348594 701482894 /nfs/dbraw/zinc/48/28/94/701482894.db2.gz PSJDHAKSJFVXBV-HNNXBMFYSA-N 1 2 344.434 1.622 20 30 EDEDLO N#CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc[nH]n2)cc1 ZINC001032288106 701857766 /nfs/dbraw/zinc/85/77/66/701857766.db2.gz HGZKEYBHVJHXES-GJZGRUSLSA-N 1 2 337.383 1.411 20 30 EDEDLO N#CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc[nH]n2)cc1 ZINC001032288106 701857773 /nfs/dbraw/zinc/85/77/73/701857773.db2.gz HGZKEYBHVJHXES-GJZGRUSLSA-N 1 2 337.383 1.411 20 30 EDEDLO N#CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccn[nH]2)cc1 ZINC001032288106 701857777 /nfs/dbraw/zinc/85/77/77/701857777.db2.gz HGZKEYBHVJHXES-GJZGRUSLSA-N 1 2 337.383 1.411 20 30 EDEDLO N#CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccn[nH]2)cc1 ZINC001032288106 701857784 /nfs/dbraw/zinc/85/77/84/701857784.db2.gz HGZKEYBHVJHXES-GJZGRUSLSA-N 1 2 337.383 1.411 20 30 EDEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2-c2cnn(C)c2)[C@H](C)C1 ZINC000944080611 702164600 /nfs/dbraw/zinc/16/46/00/702164600.db2.gz ORSGODKHHWHZSM-IUODEOHRSA-N 1 2 328.420 1.436 20 30 EDEDLO C=CC[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2-c2cnn(C)c2)[C@H](C)C1 ZINC000944080611 702164605 /nfs/dbraw/zinc/16/46/05/702164605.db2.gz ORSGODKHHWHZSM-IUODEOHRSA-N 1 2 328.420 1.436 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3cnns3)C[C@H]2C)c1 ZINC000942614248 703129150 /nfs/dbraw/zinc/12/91/50/703129150.db2.gz CICODUPNGYYTLO-WBMJQRKESA-N 1 2 341.440 1.555 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3cnns3)C[C@H]2C)c1 ZINC000942614248 703129151 /nfs/dbraw/zinc/12/91/51/703129151.db2.gz CICODUPNGYYTLO-WBMJQRKESA-N 1 2 341.440 1.555 20 30 EDEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942852322 703367081 /nfs/dbraw/zinc/36/70/81/703367081.db2.gz VTGYTBSZSIDDKB-BZUAXINKSA-N 1 2 340.427 1.376 20 30 EDEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000942852322 703367083 /nfs/dbraw/zinc/36/70/83/703367083.db2.gz VTGYTBSZSIDDKB-BZUAXINKSA-N 1 2 340.427 1.376 20 30 EDEDLO CC(=O)Nc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)c1 ZINC001032396783 703406934 /nfs/dbraw/zinc/40/69/34/703406934.db2.gz DZCMCPBUONWPCE-OALUTQOASA-N 1 2 337.423 1.844 20 30 EDEDLO CC(=O)Nc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C#CC2CC2)c1 ZINC001032396783 703406936 /nfs/dbraw/zinc/40/69/36/703406936.db2.gz DZCMCPBUONWPCE-OALUTQOASA-N 1 2 337.423 1.844 20 30 EDEDLO CCOc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)s1 ZINC000995564947 703997666 /nfs/dbraw/zinc/99/76/66/703997666.db2.gz RLQLUZXBHAHQDX-WDEREUQCSA-N 1 2 337.449 1.423 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C(C)(C)C1 ZINC000995568218 704017900 /nfs/dbraw/zinc/01/79/00/704017900.db2.gz XHCNYYCLVNCODR-DGCLKSJQSA-N 1 2 343.387 1.816 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033086152 704150889 /nfs/dbraw/zinc/15/08/89/704150889.db2.gz GCLBJTMCGHBVND-UXLLHSPISA-N 1 2 333.432 1.997 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033086152 704150890 /nfs/dbraw/zinc/15/08/90/704150890.db2.gz GCLBJTMCGHBVND-UXLLHSPISA-N 1 2 333.432 1.997 20 30 EDEDLO CCN1C[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CC1=O ZINC001004448401 704433266 /nfs/dbraw/zinc/43/32/66/704433266.db2.gz YHVPDDYKLSTXPQ-CVEARBPZSA-N 1 2 332.448 1.081 20 30 EDEDLO CCN1C[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CC1=O ZINC001004448401 704433267 /nfs/dbraw/zinc/43/32/67/704433267.db2.gz YHVPDDYKLSTXPQ-CVEARBPZSA-N 1 2 332.448 1.081 20 30 EDEDLO COCCn1nccc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004465181 704456828 /nfs/dbraw/zinc/45/68/28/704456828.db2.gz AMISDFPJDHCGQJ-MRXNPFEDSA-N 1 2 345.447 1.370 20 30 EDEDLO COCCn1nccc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004465181 704456829 /nfs/dbraw/zinc/45/68/29/704456829.db2.gz AMISDFPJDHCGQJ-MRXNPFEDSA-N 1 2 345.447 1.370 20 30 EDEDLO C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000945091553 705061348 /nfs/dbraw/zinc/06/13/48/705061348.db2.gz OJSAQTJHKZUGGO-ZFWWWQNUSA-N 1 2 332.473 1.456 20 30 EDEDLO C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000945091553 705061354 /nfs/dbraw/zinc/06/13/54/705061354.db2.gz OJSAQTJHKZUGGO-ZFWWWQNUSA-N 1 2 332.473 1.456 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC000998749072 706183897 /nfs/dbraw/zinc/18/38/97/706183897.db2.gz AZSKNAUYKGVHIM-YPMHNXCESA-N 1 2 329.360 1.570 20 30 EDEDLO Cc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998850577 706278382 /nfs/dbraw/zinc/27/83/82/706278382.db2.gz SUGXLGMIGZAKHB-ZWNOBZJWSA-N 1 2 328.376 1.533 20 30 EDEDLO N#Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C4CC4)o3)C2)c[nH]1 ZINC000998957316 706396985 /nfs/dbraw/zinc/39/69/85/706396985.db2.gz PHQJMWCIKDVXQG-ZDUSSCGKSA-N 1 2 340.387 1.541 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999360079 706850113 /nfs/dbraw/zinc/85/01/13/706850113.db2.gz NIETZSUNWIQXSN-ZDUSSCGKSA-N 1 2 331.445 1.920 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001033243904 707204815 /nfs/dbraw/zinc/20/48/15/707204815.db2.gz LOKFMQCSDVGJGW-CABCVRRESA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001033243904 707204825 /nfs/dbraw/zinc/20/48/25/707204825.db2.gz LOKFMQCSDVGJGW-CABCVRRESA-N 1 2 327.856 1.530 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CNc2cccc(F)c2C#N)C1 ZINC001060894343 707641606 /nfs/dbraw/zinc/64/16/06/707641606.db2.gz KBFRMAGXNHMDKI-ZDUSSCGKSA-N 1 2 341.390 1.934 20 30 EDEDLO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001032726541 707718276 /nfs/dbraw/zinc/71/82/76/707718276.db2.gz MWROJGPEDUKAEF-KBPBESRZSA-N 1 2 326.404 1.285 20 30 EDEDLO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC001032726541 707718280 /nfs/dbraw/zinc/71/82/80/707718280.db2.gz MWROJGPEDUKAEF-KBPBESRZSA-N 1 2 326.404 1.285 20 30 EDEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCS(C)(=O)=O)C2)CC1 ZINC001033390035 707761789 /nfs/dbraw/zinc/76/17/89/707761789.db2.gz ZCEDRBUKQBRIBW-OAHLLOKOSA-N 1 2 328.478 1.310 20 30 EDEDLO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)CC1 ZINC001033390035 707761791 /nfs/dbraw/zinc/76/17/91/707761791.db2.gz ZCEDRBUKQBRIBW-OAHLLOKOSA-N 1 2 328.478 1.310 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccnc2C)nc1 ZINC001032737674 707761945 /nfs/dbraw/zinc/76/19/45/707761945.db2.gz ALXSMKKBTYZKKH-ROUUACIJSA-N 1 2 332.407 1.865 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccnc2C)nc1 ZINC001032737674 707761948 /nfs/dbraw/zinc/76/19/48/707761948.db2.gz ALXSMKKBTYZKKH-ROUUACIJSA-N 1 2 332.407 1.865 20 30 EDEDLO CCc1nc(C#N)cc(NC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001060914194 707805931 /nfs/dbraw/zinc/80/59/31/707805931.db2.gz RLACHQQLBKZWSU-LBPRGKRZSA-N 1 2 339.403 1.137 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cncc(F)c3)C2)c1 ZINC001033405754 707816066 /nfs/dbraw/zinc/81/60/66/707816066.db2.gz PFFLIXPYNNPHET-SFHVURJKSA-N 1 2 338.386 1.944 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cncc(F)c3)C2)c1 ZINC001033405754 707816068 /nfs/dbraw/zinc/81/60/68/707816068.db2.gz PFFLIXPYNNPHET-SFHVURJKSA-N 1 2 338.386 1.944 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C2)c1 ZINC001033405987 707816937 /nfs/dbraw/zinc/81/69/37/707816937.db2.gz QXLCADWYFKNWHA-LJQANCHMSA-N 1 2 349.438 1.552 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)C2)c1 ZINC001033405987 707816940 /nfs/dbraw/zinc/81/69/40/707816940.db2.gz QXLCADWYFKNWHA-LJQANCHMSA-N 1 2 349.438 1.552 20 30 EDEDLO C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000921716736 707898098 /nfs/dbraw/zinc/89/80/98/707898098.db2.gz KDZGTRVCMWSXCI-DAXOMENPSA-N 1 2 337.370 1.393 20 30 EDEDLO C#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000921716736 707898100 /nfs/dbraw/zinc/89/81/00/707898100.db2.gz KDZGTRVCMWSXCI-DAXOMENPSA-N 1 2 337.370 1.393 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC001000233345 707899038 /nfs/dbraw/zinc/89/90/38/707899038.db2.gz SXCVGRUNYNLFGT-KFWWJZLASA-N 1 2 348.447 1.865 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC001032775867 707938270 /nfs/dbraw/zinc/93/82/70/707938270.db2.gz IHYSURZQNOJYFX-XIRDDKMYSA-N 1 2 329.444 1.086 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC001032775867 707938272 /nfs/dbraw/zinc/93/82/72/707938272.db2.gz IHYSURZQNOJYFX-XIRDDKMYSA-N 1 2 329.444 1.086 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+]([C@H](C)c3ncc(C)o3)C2)nn1 ZINC001033484234 707951402 /nfs/dbraw/zinc/95/14/02/707951402.db2.gz PFTCMFDRELCKQJ-ZIAGYGMSSA-N 1 2 344.419 1.668 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+]([C@H](C)c3ncc(C)o3)C2)nn1 ZINC001033484234 707951405 /nfs/dbraw/zinc/95/14/05/707951405.db2.gz PFTCMFDRELCKQJ-ZIAGYGMSSA-N 1 2 344.419 1.668 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC001032791238 708030997 /nfs/dbraw/zinc/03/09/97/708030997.db2.gz MPHVPIYZJIPECH-COXVUDFISA-N 1 2 328.460 1.524 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC001032791238 708030998 /nfs/dbraw/zinc/03/09/98/708030998.db2.gz MPHVPIYZJIPECH-COXVUDFISA-N 1 2 328.460 1.524 20 30 EDEDLO CN(C(=O)c1ncccn1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033527540 708145189 /nfs/dbraw/zinc/14/51/89/708145189.db2.gz VRYRCZFJSAKPAK-HNNXBMFYSA-N 1 2 339.374 1.834 20 30 EDEDLO CN(C(=O)c1ncccn1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033527540 708145192 /nfs/dbraw/zinc/14/51/92/708145192.db2.gz VRYRCZFJSAKPAK-HNNXBMFYSA-N 1 2 339.374 1.834 20 30 EDEDLO Cc1nnc([C@H](C)[NH+]2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)[nH]1 ZINC001005218944 708245830 /nfs/dbraw/zinc/24/58/30/708245830.db2.gz OPLXWQKXDJJSRV-NSHDSACASA-N 1 2 341.419 1.611 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001001850617 708354043 /nfs/dbraw/zinc/35/40/43/708354043.db2.gz CUAZUEZHUWOHMW-SJORKVTESA-N 1 2 347.463 1.217 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nncn2C)CC1 ZINC001001929909 708436475 /nfs/dbraw/zinc/43/64/75/708436475.db2.gz AVAIUTHGDOOWAK-RDJZCZTQSA-N 1 2 347.463 1.125 20 30 EDEDLO Cc1nnc([C@@H](C)[NH+]2CCC(N(C)C(=O)c3c[nH]c(C#N)c3)CC2)[nH]1 ZINC001005276612 708505108 /nfs/dbraw/zinc/50/51/08/708505108.db2.gz JMGHZDQINQJDBN-LLVKDONJSA-N 1 2 341.419 1.611 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033796112 708726574 /nfs/dbraw/zinc/72/65/74/708726574.db2.gz QYRUVRIKLDBFKD-OAHLLOKOSA-N 1 2 326.404 1.356 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033796112 708726575 /nfs/dbraw/zinc/72/65/75/708726575.db2.gz QYRUVRIKLDBFKD-OAHLLOKOSA-N 1 2 326.404 1.356 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033805965 708810390 /nfs/dbraw/zinc/81/03/90/708810390.db2.gz JUYZQRAZXMGHGW-HNNXBMFYSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033805965 708810392 /nfs/dbraw/zinc/81/03/92/708810392.db2.gz JUYZQRAZXMGHGW-HNNXBMFYSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033887705 708996619 /nfs/dbraw/zinc/99/66/19/708996619.db2.gz KZHNKCOFANWPLC-CQSZACIVSA-N 1 2 342.378 1.552 20 30 EDEDLO CCN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033887705 708996622 /nfs/dbraw/zinc/99/66/22/708996622.db2.gz KZHNKCOFANWPLC-CQSZACIVSA-N 1 2 342.378 1.552 20 30 EDEDLO N#Cc1nccnc1N[C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001061095029 709017753 /nfs/dbraw/zinc/01/77/53/709017753.db2.gz KAONJCZCKHNIQX-STQMWFEESA-N 1 2 325.376 1.084 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H](Nc2cncc(C#N)n2)C1 ZINC001061095998 709035443 /nfs/dbraw/zinc/03/54/43/709035443.db2.gz PIPYIXWVZSOLGQ-STQMWFEESA-N 1 2 339.403 1.164 20 30 EDEDLO CCN(C(=O)c1cnon1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033997269 709209254 /nfs/dbraw/zinc/20/92/54/709209254.db2.gz VKAOCXXWUQEYEM-CQSZACIVSA-N 1 2 343.362 1.817 20 30 EDEDLO CCN(C(=O)c1cnon1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033997269 709209255 /nfs/dbraw/zinc/20/92/55/709209255.db2.gz VKAOCXXWUQEYEM-CQSZACIVSA-N 1 2 343.362 1.817 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(N(C)C)nn2)C1 ZINC001034011995 709224918 /nfs/dbraw/zinc/22/49/18/709224918.db2.gz BISSMLZRXBJROE-ZDUSSCGKSA-N 1 2 337.855 1.832 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(N(C)C)nn2)C1 ZINC001034011995 709224920 /nfs/dbraw/zinc/22/49/20/709224920.db2.gz BISSMLZRXBJROE-ZDUSSCGKSA-N 1 2 337.855 1.832 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2ccnn2C)C1 ZINC001034128506 709397871 /nfs/dbraw/zinc/39/78/71/709397871.db2.gz XJRVGMUBMYMUPY-GFCCVEGCSA-N 1 2 341.253 1.913 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccnn2C)C1 ZINC001034128506 709397874 /nfs/dbraw/zinc/39/78/74/709397874.db2.gz XJRVGMUBMYMUPY-GFCCVEGCSA-N 1 2 341.253 1.913 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)cc1C#N ZINC000922025668 709451894 /nfs/dbraw/zinc/45/18/94/709451894.db2.gz KOHZLXMEUHFBQJ-OAHLLOKOSA-N 1 2 336.461 1.613 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)cc1C#N ZINC000922025668 709451895 /nfs/dbraw/zinc/45/18/95/709451895.db2.gz KOHZLXMEUHFBQJ-OAHLLOKOSA-N 1 2 336.461 1.613 20 30 EDEDLO C=C1CCC(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001002865706 709474618 /nfs/dbraw/zinc/47/46/18/709474618.db2.gz XCWDNIPHJVGZBG-HZPDHXFCSA-N 1 2 342.443 1.834 20 30 EDEDLO C=C1CCC(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001002865706 709474619 /nfs/dbraw/zinc/47/46/19/709474619.db2.gz XCWDNIPHJVGZBG-HZPDHXFCSA-N 1 2 342.443 1.834 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001034206814 709553459 /nfs/dbraw/zinc/55/34/59/709553459.db2.gz LWDJUBGOYCHZFI-CYBMUJFWSA-N 1 2 337.855 1.879 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001034206814 709553462 /nfs/dbraw/zinc/55/34/62/709553462.db2.gz LWDJUBGOYCHZFI-CYBMUJFWSA-N 1 2 337.855 1.879 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001002930026 709594003 /nfs/dbraw/zinc/59/40/03/709594003.db2.gz GZDPGDOWZUOUGC-OCCSQVGLSA-N 1 2 339.399 1.786 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001002931545 709597637 /nfs/dbraw/zinc/59/76/37/709597637.db2.gz OLAZMYMKTSGEAD-ZIAGYGMSSA-N 1 2 339.399 1.557 20 30 EDEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC001061748642 709950931 /nfs/dbraw/zinc/95/09/31/709950931.db2.gz AIZRMNBXRHLIMQ-HNNXBMFYSA-N 1 2 348.447 1.219 20 30 EDEDLO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001034427951 709964898 /nfs/dbraw/zinc/96/48/98/709964898.db2.gz KRBLMCBWJISJHR-CYBMUJFWSA-N 1 2 340.445 1.844 20 30 EDEDLO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001034427951 709964900 /nfs/dbraw/zinc/96/49/00/709964900.db2.gz KRBLMCBWJISJHR-CYBMUJFWSA-N 1 2 340.445 1.844 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCCC(=O)N2)CC1 ZINC001003102604 709975371 /nfs/dbraw/zinc/97/53/71/709975371.db2.gz SWKBNHMCGUEKPG-GFCCVEGCSA-N 1 2 344.253 1.144 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001061755454 710149755 /nfs/dbraw/zinc/14/97/55/710149755.db2.gz JXNSKHPQZLAVOO-ZFWWWQNUSA-N 1 2 348.447 1.144 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001061755454 710149758 /nfs/dbraw/zinc/14/97/58/710149758.db2.gz JXNSKHPQZLAVOO-ZFWWWQNUSA-N 1 2 348.447 1.144 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nnc(CC)o2)CC1 ZINC001003652445 710469982 /nfs/dbraw/zinc/46/99/82/710469982.db2.gz NIIXGIKKYBCMAD-CFVMTHIKSA-N 1 2 348.447 1.865 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](N(C)C(=O)C3CC3)C2)c1 ZINC001032855237 710543895 /nfs/dbraw/zinc/54/38/95/710543895.db2.gz DLMRGGIUWXUKBZ-QGZVFWFLSA-N 1 2 325.412 1.549 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](N(C)C(=O)C3CC3)C2)c1 ZINC001032855237 710543897 /nfs/dbraw/zinc/54/38/97/710543897.db2.gz DLMRGGIUWXUKBZ-QGZVFWFLSA-N 1 2 325.412 1.549 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001032981817 711113403 /nfs/dbraw/zinc/11/34/03/711113403.db2.gz QBIHDEAXOFLULV-LBPRGKRZSA-N 1 2 327.226 1.394 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001032981817 711113406 /nfs/dbraw/zinc/11/34/06/711113406.db2.gz QBIHDEAXOFLULV-LBPRGKRZSA-N 1 2 327.226 1.394 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3cn(CC)nn3)CC2)cn1 ZINC001004001282 711224323 /nfs/dbraw/zinc/22/43/23/711224323.db2.gz HOCJCGNKIOAATF-UHFFFAOYSA-N 1 2 338.415 1.069 20 30 EDEDLO Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)c(C)o1 ZINC001033016760 711277009 /nfs/dbraw/zinc/27/70/09/711277009.db2.gz CSGVVDLUPAFVLC-AWEZNQCLSA-N 1 2 327.388 1.838 20 30 EDEDLO Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)c(C)o1 ZINC001033016760 711277012 /nfs/dbraw/zinc/27/70/12/711277012.db2.gz CSGVVDLUPAFVLC-AWEZNQCLSA-N 1 2 327.388 1.838 20 30 EDEDLO COCc1nn(C)cc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004472638 711849416 /nfs/dbraw/zinc/84/94/16/711849416.db2.gz GUYHWHKEUPLWHZ-QGZVFWFLSA-N 1 2 345.447 1.407 20 30 EDEDLO COCc1nn(C)cc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004472638 711849418 /nfs/dbraw/zinc/84/94/18/711849418.db2.gz GUYHWHKEUPLWHZ-QGZVFWFLSA-N 1 2 345.447 1.407 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001033130262 711881991 /nfs/dbraw/zinc/88/19/91/711881991.db2.gz UWVYNGZNJFBEHC-HUUCEWRRSA-N 1 2 341.883 1.776 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001033130262 711881992 /nfs/dbraw/zinc/88/19/92/711881992.db2.gz UWVYNGZNJFBEHC-HUUCEWRRSA-N 1 2 341.883 1.776 20 30 EDEDLO COc1cccnc1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004521890 711920608 /nfs/dbraw/zinc/92/06/08/711920608.db2.gz HJEMPJVTABPVTC-QGZVFWFLSA-N 1 2 342.443 1.859 20 30 EDEDLO COc1cccnc1CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004521890 711920609 /nfs/dbraw/zinc/92/06/09/711920609.db2.gz HJEMPJVTABPVTC-QGZVFWFLSA-N 1 2 342.443 1.859 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)s2)CC1 ZINC001004583357 712016717 /nfs/dbraw/zinc/01/67/17/712016717.db2.gz ODQSEPNFTRLZJO-ZDUSSCGKSA-N 1 2 346.456 1.687 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)s2)CC1 ZINC001004583357 712016718 /nfs/dbraw/zinc/01/67/18/712016718.db2.gz ODQSEPNFTRLZJO-ZDUSSCGKSA-N 1 2 346.456 1.687 20 30 EDEDLO CC[C@H]1CCCN1C(=O)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004596205 712036238 /nfs/dbraw/zinc/03/62/38/712036238.db2.gz KTPXMDXAMQWBLL-DLBZAZTESA-N 1 2 346.475 1.614 20 30 EDEDLO CC[C@H]1CCCN1C(=O)C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004596205 712036239 /nfs/dbraw/zinc/03/62/39/712036239.db2.gz KTPXMDXAMQWBLL-DLBZAZTESA-N 1 2 346.475 1.614 20 30 EDEDLO C[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004637747 712107134 /nfs/dbraw/zinc/10/71/34/712107134.db2.gz WLSUVFVUFHRJKE-YOEHRIQHSA-N 1 2 329.448 1.750 20 30 EDEDLO C[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004637747 712107135 /nfs/dbraw/zinc/10/71/35/712107135.db2.gz WLSUVFVUFHRJKE-YOEHRIQHSA-N 1 2 329.448 1.750 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000056925464 214395654 /nfs/dbraw/zinc/39/56/54/214395654.db2.gz VYEZGKKNEHAWOA-FPLPWBNLSA-N 1 2 340.427 1.242 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000056925464 214395656 /nfs/dbraw/zinc/39/56/56/214395656.db2.gz VYEZGKKNEHAWOA-FPLPWBNLSA-N 1 2 340.427 1.242 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1C#N ZINC000174690213 231280384 /nfs/dbraw/zinc/28/03/84/231280384.db2.gz SRDDWBBMMKPDKI-UHFFFAOYSA-N 1 2 349.394 1.549 20 30 EDEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1ccc2c(c1)CCCO2 ZINC000329125368 539412764 /nfs/dbraw/zinc/41/27/64/539412764.db2.gz YBGJIMGDERGHLR-HNNXBMFYSA-N 1 2 335.404 1.031 20 30 EDEDLO CCN(C(=O)NC[C@H](C)[NH+]1CCOCC1)[C@@H]1CCOC(C)(C)C1 ZINC000329627289 539450996 /nfs/dbraw/zinc/45/09/96/539450996.db2.gz UGEPVRBOSYHUOK-LSDHHAIUSA-N 1 2 327.469 1.901 20 30 EDEDLO Cc1cccc([C@@H](CNC(=O)NCC2(O)CCC2)[NH+]2CCOCC2)c1 ZINC000329849624 539468723 /nfs/dbraw/zinc/46/87/23/539468723.db2.gz PZOHUHQWYIBEAX-QGZVFWFLSA-N 1 2 347.459 1.787 20 30 EDEDLO N#Cc1csc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000084183065 138269832 /nfs/dbraw/zinc/26/98/32/138269832.db2.gz UUTBFXUTKQLPLO-HNNXBMFYSA-N 1 2 337.470 1.557 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCOCC2CCCC2)c1=O ZINC000563639161 306343393 /nfs/dbraw/zinc/34/33/93/306343393.db2.gz ZXHIDIHNEYCYRR-UHFFFAOYSA-N 1 2 345.443 1.759 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)N(CC)CC#N)[C@@H]1c1c[nH+]cn1C ZINC000373485899 283311031 /nfs/dbraw/zinc/31/10/31/283311031.db2.gz PTANGBREMOLKCU-CZUORRHYSA-N 1 2 331.420 1.482 20 30 EDEDLO C=CC[NH+](CC=C)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000072939006 216329495 /nfs/dbraw/zinc/32/94/95/216329495.db2.gz RKJKAWQUDRRRJY-UHFFFAOYSA-N 1 2 334.420 1.192 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000247231360 139141471 /nfs/dbraw/zinc/14/14/71/139141471.db2.gz XBGHKFQUSUVRAG-ZOBUZTSGSA-N 1 2 343.427 1.505 20 30 EDEDLO C#CC[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000270241466 249396499 /nfs/dbraw/zinc/39/64/99/249396499.db2.gz JOZPVHGVBDJWFD-ZWKOTPCHSA-N 1 2 345.443 1.086 20 30 EDEDLO COCC1(C#N)CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000343141156 250011422 /nfs/dbraw/zinc/01/14/22/250011422.db2.gz PNPMVXNWUHBLLC-AWEZNQCLSA-N 1 2 331.420 1.194 20 30 EDEDLO COCC1(C#N)CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000343141156 250011427 /nfs/dbraw/zinc/01/14/27/250011427.db2.gz PNPMVXNWUHBLLC-AWEZNQCLSA-N 1 2 331.420 1.194 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000341983068 250005300 /nfs/dbraw/zinc/00/53/00/250005300.db2.gz SYMICPOELZBATI-UHFFFAOYSA-N 1 2 326.400 1.427 20 30 EDEDLO CSC[C@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000345092195 250025510 /nfs/dbraw/zinc/02/55/10/250025510.db2.gz KJPALXQRZJIEGF-RDJZCZTQSA-N 1 2 333.457 1.649 20 30 EDEDLO CSC[C@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000345092195 250025513 /nfs/dbraw/zinc/02/55/13/250025513.db2.gz KJPALXQRZJIEGF-RDJZCZTQSA-N 1 2 333.457 1.649 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000352236747 250075713 /nfs/dbraw/zinc/07/57/13/250075713.db2.gz FQARFQAQUIHJGY-HNNXBMFYSA-N 1 2 325.453 1.028 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000352237801 250075819 /nfs/dbraw/zinc/07/58/19/250075819.db2.gz LGUAOXZBXHVKBY-AWEZNQCLSA-N 1 2 325.453 1.074 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000352237801 250075820 /nfs/dbraw/zinc/07/58/20/250075820.db2.gz LGUAOXZBXHVKBY-AWEZNQCLSA-N 1 2 325.453 1.074 20 30 EDEDLO COc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1OCCCC#N ZINC000353772192 250083903 /nfs/dbraw/zinc/08/39/03/250083903.db2.gz ZNTRNUHAZHIOQO-APWZRJJASA-N 1 2 345.443 1.893 20 30 EDEDLO COc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1OCCCC#N ZINC000353772192 250083905 /nfs/dbraw/zinc/08/39/05/250083905.db2.gz ZNTRNUHAZHIOQO-APWZRJJASA-N 1 2 345.443 1.893 20 30 EDEDLO C=CCCC1(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000353825892 250084762 /nfs/dbraw/zinc/08/47/62/250084762.db2.gz MALSEUZTFKAEMN-UHFFFAOYSA-N 1 2 340.431 1.758 20 30 EDEDLO C=CCc1ccc(OCC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(OC)c1 ZINC000355063099 250104231 /nfs/dbraw/zinc/10/42/31/250104231.db2.gz HLZPJPLHMZXXIH-HNNXBMFYSA-N 1 2 348.443 1.639 20 30 EDEDLO C=CCc1ccc(OCC(=O)NCC[N@H+]2CCOC[C@@H]2C)c(OC)c1 ZINC000355063099 250104234 /nfs/dbraw/zinc/10/42/34/250104234.db2.gz HLZPJPLHMZXXIH-HNNXBMFYSA-N 1 2 348.443 1.639 20 30 EDEDLO C=C[C@@H](CO)NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000358704358 250143572 /nfs/dbraw/zinc/14/35/72/250143572.db2.gz MDNXXWDLPGXGMX-STQMWFEESA-N 1 2 339.386 1.775 20 30 EDEDLO C=C[C@@H](CO)NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000358704358 250143575 /nfs/dbraw/zinc/14/35/75/250143575.db2.gz MDNXXWDLPGXGMX-STQMWFEESA-N 1 2 339.386 1.775 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[NH+]2CC(n3cccn3)C2)c(OC)c1 ZINC000360356942 250161970 /nfs/dbraw/zinc/16/19/70/250161970.db2.gz ZBZNMKZNQBWVAP-QGZVFWFLSA-N 1 2 343.427 1.917 20 30 EDEDLO C=C[C@H](C)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000362369362 250180833 /nfs/dbraw/zinc/18/08/33/250180833.db2.gz FXQPAJDZINHRIA-AWEZNQCLSA-N 1 2 330.432 1.963 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000371867099 250213990 /nfs/dbraw/zinc/21/39/90/250213990.db2.gz WPQOCSNXWDKEMZ-OAHLLOKOSA-N 1 2 326.849 1.705 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000371867099 250213994 /nfs/dbraw/zinc/21/39/94/250213994.db2.gz WPQOCSNXWDKEMZ-OAHLLOKOSA-N 1 2 326.849 1.705 20 30 EDEDLO C#CCOc1ccccc1NC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000372246328 250216830 /nfs/dbraw/zinc/21/68/30/250216830.db2.gz BZHYEKNXURGNKA-UHFFFAOYSA-N 1 2 338.367 1.184 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000373438604 250239268 /nfs/dbraw/zinc/23/92/68/250239268.db2.gz FXZIACYPFKSAIW-IAGOWNOFSA-N 1 2 333.395 1.990 20 30 EDEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000375171481 250278790 /nfs/dbraw/zinc/27/87/90/250278790.db2.gz PMJJLDKRXMBXAP-CRAIPNDOSA-N 1 2 346.431 1.691 20 30 EDEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000375171481 250278794 /nfs/dbraw/zinc/27/87/94/250278794.db2.gz PMJJLDKRXMBXAP-CRAIPNDOSA-N 1 2 346.431 1.691 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000410890367 250397260 /nfs/dbraw/zinc/39/72/60/250397260.db2.gz QACVRJWTGZSRGM-MRXNPFEDSA-N 1 2 339.480 1.370 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2COc3ccc(F)cc32)nc1 ZINC000569353237 306505179 /nfs/dbraw/zinc/50/51/79/306505179.db2.gz MIHHMPWNLRQKQP-CQSZACIVSA-N 1 2 347.371 1.589 20 30 EDEDLO COc1cc(NC(=O)CC[NH+]2CC(O)(CC#N)C2)cc(OC)c1OC ZINC000424131755 252134464 /nfs/dbraw/zinc/13/44/64/252134464.db2.gz GTPICBSROICTTF-UHFFFAOYSA-N 1 2 349.387 1.001 20 30 EDEDLO N#CCc1cccc(NC(=O)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000424445272 252235101 /nfs/dbraw/zinc/23/51/01/252235101.db2.gz FRCFSCPKMXKIKC-GFCCVEGCSA-N 1 2 336.342 1.052 20 30 EDEDLO COCCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000189649983 533168819 /nfs/dbraw/zinc/16/88/19/533168819.db2.gz JVAJLDBJKSDVAR-CQSZACIVSA-N 1 2 337.807 1.887 20 30 EDEDLO COCCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000189649983 533168823 /nfs/dbraw/zinc/16/88/23/533168823.db2.gz JVAJLDBJKSDVAR-CQSZACIVSA-N 1 2 337.807 1.887 20 30 EDEDLO C#CC[N@@H+](CCC(=O)Nc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000491692998 255142153 /nfs/dbraw/zinc/14/21/53/255142153.db2.gz IDYWPZWDQJSJKJ-OAHLLOKOSA-N 1 2 334.441 1.446 20 30 EDEDLO C#CC[N@H+](CCC(=O)Nc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000491692998 255142155 /nfs/dbraw/zinc/14/21/55/255142155.db2.gz IDYWPZWDQJSJKJ-OAHLLOKOSA-N 1 2 334.441 1.446 20 30 EDEDLO C[C@@H](CN(CCC#N)CC[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC000492262529 255166255 /nfs/dbraw/zinc/16/62/55/255166255.db2.gz YXEUDMKSDATCMZ-HNNXBMFYSA-N 1 2 340.468 1.447 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)/C=C\c1c(Cl)nc2ccccn21 ZINC000493438939 255208317 /nfs/dbraw/zinc/20/83/17/255208317.db2.gz ZOMFEKWSNIVDBD-XITLMJRVSA-N 1 2 331.807 1.961 20 30 EDEDLO COc1cc(OC)c(OC)cc1/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493110250 255191724 /nfs/dbraw/zinc/19/17/24/255191724.db2.gz ZMSSNLIHMWQIHR-DVBCCOPCSA-N 1 2 347.415 1.686 20 30 EDEDLO N#Cc1ccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000264031207 139376759 /nfs/dbraw/zinc/37/67/59/139376759.db2.gz AHBZQNDBTAAFGZ-UHFFFAOYSA-N 1 2 340.387 1.731 20 30 EDEDLO COc1cccc(C(N)=[NH+]OCC(=O)N2CCc3ccccc3C2)c1 ZINC000174215039 533383569 /nfs/dbraw/zinc/38/35/69/533383569.db2.gz XMWWEDLLMQFXQY-UHFFFAOYSA-N 1 2 339.395 1.917 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270483592 140108915 /nfs/dbraw/zinc/10/89/15/140108915.db2.gz AARDOPYYAKUWCL-CQSZACIVSA-N 1 2 346.818 1.847 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270483592 140108916 /nfs/dbraw/zinc/10/89/16/140108916.db2.gz AARDOPYYAKUWCL-CQSZACIVSA-N 1 2 346.818 1.847 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000270720851 140155225 /nfs/dbraw/zinc/15/52/25/140155225.db2.gz ZNHLOZNVKUHUQO-HNNXBMFYSA-N 1 2 344.415 1.895 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](N4CCCC4=O)C3)o2)cc1 ZINC000270953351 140206629 /nfs/dbraw/zinc/20/66/29/140206629.db2.gz TZGIKFKNUAUHNU-OAHLLOKOSA-N 1 2 337.383 1.805 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](N4CCCC4=O)C3)o2)cc1 ZINC000270953351 140206631 /nfs/dbraw/zinc/20/66/31/140206631.db2.gz TZGIKFKNUAUHNU-OAHLLOKOSA-N 1 2 337.383 1.805 20 30 EDEDLO Cc1ccc2[nH+]c(CNC(=O)C(=O)Nc3sccc3C#N)cn2c1 ZINC000339936172 142205275 /nfs/dbraw/zinc/20/52/75/142205275.db2.gz ADDBYPDRYZKXNI-UHFFFAOYSA-N 1 2 339.380 1.831 20 30 EDEDLO CCS(=O)(=O)N1CC[N@H+](CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000347292624 143304634 /nfs/dbraw/zinc/30/46/34/143304634.db2.gz CEHNEQMHASJWPT-CQSZACIVSA-N 1 2 337.445 1.293 20 30 EDEDLO CCS(=O)(=O)N1CC[N@@H+](CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000347292624 143304635 /nfs/dbraw/zinc/30/46/35/143304635.db2.gz CEHNEQMHASJWPT-CQSZACIVSA-N 1 2 337.445 1.293 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)c2cccc(F)c2C#N)CCN1C ZINC000369803863 155184218 /nfs/dbraw/zinc/18/42/18/155184218.db2.gz CXEGZLXEXWRVEP-OAHLLOKOSA-N 1 2 327.363 1.560 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369815629 155189405 /nfs/dbraw/zinc/18/94/05/155189405.db2.gz CRFJBMSNXYZPHN-UHFFFAOYSA-N 1 2 346.456 1.893 20 30 EDEDLO COCC[NH+]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000352859000 149192903 /nfs/dbraw/zinc/19/29/03/149192903.db2.gz DUSUEJIHPPOELB-UHFFFAOYSA-N 1 2 331.391 1.520 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCc2ccc(C#N)cc2)C1 ZINC000354899453 150019107 /nfs/dbraw/zinc/01/91/07/150019107.db2.gz LZEUABUKZQJPLH-QGZVFWFLSA-N 1 2 343.427 1.492 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCc2ccc(C#N)cc2)C1 ZINC000354899453 150019112 /nfs/dbraw/zinc/01/91/12/150019112.db2.gz LZEUABUKZQJPLH-QGZVFWFLSA-N 1 2 343.427 1.492 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)n1 ZINC000355119840 150125252 /nfs/dbraw/zinc/12/52/52/150125252.db2.gz DEJQHJODQIJXFT-XMMPIXPASA-N 1 2 340.452 1.883 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000361437105 152396038 /nfs/dbraw/zinc/39/60/38/152396038.db2.gz GVCVNDWZNJJRBM-IAGOWNOFSA-N 1 2 329.400 1.355 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCN3CCOC[C@H]3C2)c(Br)c1 ZINC000363799085 153059818 /nfs/dbraw/zinc/05/98/18/153059818.db2.gz KJAIXGVLRPCVIP-CQSZACIVSA-N 1 2 336.233 1.837 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCN3CCOC[C@H]3C2)c(Br)c1 ZINC000363799085 153059819 /nfs/dbraw/zinc/05/98/19/153059819.db2.gz KJAIXGVLRPCVIP-CQSZACIVSA-N 1 2 336.233 1.837 20 30 EDEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CC(O)(c3ccc(F)cc3)C2)cc1 ZINC000364340091 153209891 /nfs/dbraw/zinc/20/98/91/153209891.db2.gz RGUAXUAMLZMWRD-KRWDZBQOSA-N 1 2 342.370 1.640 20 30 EDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000330641573 287245518 /nfs/dbraw/zinc/24/55/18/287245518.db2.gz IPNHCBKAUAMPGD-BBWFWOEESA-N 1 2 336.480 1.178 20 30 EDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000330641573 287245519 /nfs/dbraw/zinc/24/55/19/287245519.db2.gz IPNHCBKAUAMPGD-BBWFWOEESA-N 1 2 336.480 1.178 20 30 EDEDLO CCC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000122673802 222135254 /nfs/dbraw/zinc/13/52/54/222135254.db2.gz VVIVXILYBAUNPH-AWEZNQCLSA-N 1 2 328.416 1.830 20 30 EDEDLO CCC(=O)N1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000122673802 222135258 /nfs/dbraw/zinc/13/52/58/222135258.db2.gz VVIVXILYBAUNPH-AWEZNQCLSA-N 1 2 328.416 1.830 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000285155823 269893451 /nfs/dbraw/zinc/89/34/51/269893451.db2.gz AGBUVIFRVONCJM-WMLDXEAASA-N 1 2 349.456 1.183 20 30 EDEDLO Cc1cc(N2CCC(C(=O)Nc3nncs3)CC2)c(C#N)c[nH+]1 ZINC000425208052 270012383 /nfs/dbraw/zinc/01/23/83/270012383.db2.gz OJPYSUFPYWWSSG-UHFFFAOYSA-N 1 2 328.401 1.968 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)CCCCF)CC2)cc1 ZINC000286424603 270009773 /nfs/dbraw/zinc/00/97/73/270009773.db2.gz GUXVKUVVWQXBQH-UHFFFAOYSA-N 1 2 339.436 1.755 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000299691864 266110357 /nfs/dbraw/zinc/11/03/57/266110357.db2.gz ZENPRWFPRFVSPO-UHFFFAOYSA-N 1 2 335.839 1.597 20 30 EDEDLO CCOC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000194306026 266261772 /nfs/dbraw/zinc/26/17/72/266261772.db2.gz MLKDFETYXAHWHR-HNNXBMFYSA-N 1 2 330.388 1.707 20 30 EDEDLO CCOC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000194306026 266261775 /nfs/dbraw/zinc/26/17/75/266261775.db2.gz MLKDFETYXAHWHR-HNNXBMFYSA-N 1 2 330.388 1.707 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1CC(=O)Nc1sccc1C#N ZINC000289777711 267108742 /nfs/dbraw/zinc/10/87/42/267108742.db2.gz LOVDQOXVPSCBFU-TZMCWYRMSA-N 1 2 334.445 1.353 20 30 EDEDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000289777711 267108746 /nfs/dbraw/zinc/10/87/46/267108746.db2.gz LOVDQOXVPSCBFU-TZMCWYRMSA-N 1 2 334.445 1.353 20 30 EDEDLO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000289777711 267108750 /nfs/dbraw/zinc/10/87/50/267108750.db2.gz LOVDQOXVPSCBFU-TZMCWYRMSA-N 1 2 334.445 1.353 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)n1 ZINC000281061955 267315260 /nfs/dbraw/zinc/31/52/60/267315260.db2.gz YXCHOVOWYZNRKZ-HNNXBMFYSA-N 1 2 342.447 1.180 20 30 EDEDLO Cc1cc(N2CCN(CC(=O)N3CCCCC3)CC2)c(C#N)c(C)[nH+]1 ZINC000301646968 267338865 /nfs/dbraw/zinc/33/88/65/267338865.db2.gz DJFDURRNUFFKON-UHFFFAOYSA-N 1 2 341.459 1.705 20 30 EDEDLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292127189 267345495 /nfs/dbraw/zinc/34/54/95/267345495.db2.gz IMKJNSVMZNMMIO-GXTWGEPZSA-N 1 2 341.371 1.730 20 30 EDEDLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292127189 267345498 /nfs/dbraw/zinc/34/54/98/267345498.db2.gz IMKJNSVMZNMMIO-GXTWGEPZSA-N 1 2 341.371 1.730 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439467800 267350098 /nfs/dbraw/zinc/35/00/98/267350098.db2.gz ZKOXHUHIKIMFSA-CYBMUJFWSA-N 1 2 327.837 1.725 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439467800 267350101 /nfs/dbraw/zinc/35/01/01/267350101.db2.gz ZKOXHUHIKIMFSA-CYBMUJFWSA-N 1 2 327.837 1.725 20 30 EDEDLO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000277825516 267357144 /nfs/dbraw/zinc/35/71/44/267357144.db2.gz JGBLCFZHJPBHHV-OAHLLOKOSA-N 1 2 349.456 1.210 20 30 EDEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000419363156 267364597 /nfs/dbraw/zinc/36/45/97/267364597.db2.gz VBZDDBCGHHJCJY-AWEZNQCLSA-N 1 2 335.791 1.465 20 30 EDEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000419363156 267364598 /nfs/dbraw/zinc/36/45/98/267364598.db2.gz VBZDDBCGHHJCJY-AWEZNQCLSA-N 1 2 335.791 1.465 20 30 EDEDLO Cc1ncc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)cc1C#N ZINC000489016500 268085226 /nfs/dbraw/zinc/08/52/26/268085226.db2.gz UDXYRZMRTJNCDX-UHFFFAOYSA-N 1 2 327.369 1.388 20 30 EDEDLO N#Cc1ccc(N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)nc1 ZINC000192284175 268119705 /nfs/dbraw/zinc/11/97/05/268119705.db2.gz FDIPSYRORWGTSZ-UHFFFAOYSA-N 1 2 335.415 1.670 20 30 EDEDLO N#Cc1ccc(N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)nc1 ZINC000192284175 268119707 /nfs/dbraw/zinc/11/97/07/268119707.db2.gz FDIPSYRORWGTSZ-UHFFFAOYSA-N 1 2 335.415 1.670 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccncc2)nc1 ZINC000289721812 268188024 /nfs/dbraw/zinc/18/80/24/268188024.db2.gz GEQHNVWOLVPPSE-INIZCTEOSA-N 1 2 342.424 1.959 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccncc2)nc1 ZINC000289721812 268188026 /nfs/dbraw/zinc/18/80/26/268188026.db2.gz GEQHNVWOLVPPSE-INIZCTEOSA-N 1 2 342.424 1.959 20 30 EDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000274797401 268208671 /nfs/dbraw/zinc/20/86/71/268208671.db2.gz PVOIUMIBDPCZSN-LLVKDONJSA-N 1 2 327.837 1.712 20 30 EDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000274797401 268208672 /nfs/dbraw/zinc/20/86/72/268208672.db2.gz PVOIUMIBDPCZSN-LLVKDONJSA-N 1 2 327.837 1.712 20 30 EDEDLO N#Cc1cccc(NCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000163431376 268269024 /nfs/dbraw/zinc/26/90/24/268269024.db2.gz VJVXJDDERHUQIA-KRWDZBQOSA-N 1 2 328.416 1.293 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NC3CCCC3)CC2)cc1 ZINC000283267895 273813540 /nfs/dbraw/zinc/81/35/40/273813540.db2.gz MWXXXPIMAGAADZ-UHFFFAOYSA-N 1 2 340.427 1.261 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC000496271209 275520031 /nfs/dbraw/zinc/52/00/31/275520031.db2.gz FFAHFHPBEVLEAO-MRXNPFEDSA-N 1 2 347.459 1.553 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)C[C@@H]21 ZINC000331759834 277122246 /nfs/dbraw/zinc/12/22/46/277122246.db2.gz JYQQQJZOLZZAOX-UONOGXRCSA-N 1 2 331.420 1.661 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)C[C@@H]21 ZINC000331759834 277122248 /nfs/dbraw/zinc/12/22/48/277122248.db2.gz JYQQQJZOLZZAOX-UONOGXRCSA-N 1 2 331.420 1.661 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077449 452843360 /nfs/dbraw/zinc/84/33/60/452843360.db2.gz PIQBZHRBAQXOCJ-KFWWJZLASA-N 1 2 325.453 1.025 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656077449 452843366 /nfs/dbraw/zinc/84/33/66/452843366.db2.gz PIQBZHRBAQXOCJ-KFWWJZLASA-N 1 2 325.453 1.025 20 30 EDEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000451934494 288284632 /nfs/dbraw/zinc/28/46/32/288284632.db2.gz QQHPCOSJGYHHJE-ZDUSSCGKSA-N 1 2 325.409 1.802 20 30 EDEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000451934494 288284633 /nfs/dbraw/zinc/28/46/33/288284633.db2.gz QQHPCOSJGYHHJE-ZDUSSCGKSA-N 1 2 325.409 1.802 20 30 EDEDLO N#CCOc1ccc(/C=C\C(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000493421785 447326148 /nfs/dbraw/zinc/32/61/48/447326148.db2.gz MBCOZYXXSMRAFS-UTCJRWHESA-N 1 2 341.411 1.583 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)[C@@H](C#N)CCc2ccccc2)CCO1 ZINC000448861301 447353637 /nfs/dbraw/zinc/35/36/37/447353637.db2.gz SLVBQMJTHAILQQ-QGZVFWFLSA-N 1 2 329.444 1.986 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)[C@@H](C#N)CCc2ccccc2)CCO1 ZINC000448861301 447353641 /nfs/dbraw/zinc/35/36/41/447353641.db2.gz SLVBQMJTHAILQQ-QGZVFWFLSA-N 1 2 329.444 1.986 20 30 EDEDLO CNC(=O)C[N@@H+]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000378353320 447420919 /nfs/dbraw/zinc/42/09/19/447420919.db2.gz XCVZLEGGHRWFGN-HNNXBMFYSA-N 1 2 330.432 1.231 20 30 EDEDLO CNC(=O)C[N@H+]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000378353320 447420921 /nfs/dbraw/zinc/42/09/21/447420921.db2.gz XCVZLEGGHRWFGN-HNNXBMFYSA-N 1 2 330.432 1.231 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000008494381 441093564 /nfs/dbraw/zinc/09/35/64/441093564.db2.gz JUSMHERZOGIPMY-CYBMUJFWSA-N 1 2 346.431 1.596 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000008494381 441093570 /nfs/dbraw/zinc/09/35/70/441093570.db2.gz JUSMHERZOGIPMY-CYBMUJFWSA-N 1 2 346.431 1.596 20 30 EDEDLO COc1ccc(N2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 ZINC000097653826 441142678 /nfs/dbraw/zinc/14/26/78/441142678.db2.gz LUFPYNFYNRYPJO-IBGZPJMESA-N 1 2 342.443 1.626 20 30 EDEDLO CCc1ccccc1NC(=O)CNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906629 441142702 /nfs/dbraw/zinc/14/27/02/441142702.db2.gz VKNUOEABWJMQTQ-UHFFFAOYSA-N 1 2 328.416 1.539 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000103139466 441176856 /nfs/dbraw/zinc/17/68/56/441176856.db2.gz XYVBPCUSKKLDCH-CYBMUJFWSA-N 1 2 330.407 1.482 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000047592218 441206064 /nfs/dbraw/zinc/20/60/64/441206064.db2.gz FMKTVHXXUWIAIX-KBXCAEBGSA-N 1 2 330.432 2.000 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000047592218 441206066 /nfs/dbraw/zinc/20/60/66/441206066.db2.gz FMKTVHXXUWIAIX-KBXCAEBGSA-N 1 2 330.432 2.000 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000080941177 441210703 /nfs/dbraw/zinc/21/07/03/441210703.db2.gz QGIITIOUIKHQJU-QGZVFWFLSA-N 1 2 338.411 1.528 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000080941177 441210709 /nfs/dbraw/zinc/21/07/09/441210709.db2.gz QGIITIOUIKHQJU-QGZVFWFLSA-N 1 2 338.411 1.528 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ncccn2)CC1 ZINC000016483396 441226406 /nfs/dbraw/zinc/22/64/06/441226406.db2.gz YIVOTAOJYXTQLV-OAHLLOKOSA-N 1 2 342.447 1.330 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481769 441245943 /nfs/dbraw/zinc/24/59/43/441245943.db2.gz DGCSVNULNTVRRM-UHFFFAOYSA-N 1 2 325.416 1.276 20 30 EDEDLO COc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000081515485 441280715 /nfs/dbraw/zinc/28/07/15/441280715.db2.gz KEHLBBWVMUTVFW-UHFFFAOYSA-N 1 2 348.403 1.651 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1noc(-c2ccccc2)n1 ZINC000081531549 441282466 /nfs/dbraw/zinc/28/24/66/441282466.db2.gz JSNXCUOAGDBNAB-UHFFFAOYSA-N 1 2 341.415 1.784 20 30 EDEDLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000073543615 441324013 /nfs/dbraw/zinc/32/40/13/441324013.db2.gz CVHVTQZJOZWOMN-UHFFFAOYSA-N 1 2 334.464 1.519 20 30 EDEDLO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000073543615 441324017 /nfs/dbraw/zinc/32/40/17/441324017.db2.gz CVHVTQZJOZWOMN-UHFFFAOYSA-N 1 2 334.464 1.519 20 30 EDEDLO CN(C(=O)C[NH+]1CCC(c2nc[nH]n2)CC1)C1(C#N)CCCCC1 ZINC000083445572 441362964 /nfs/dbraw/zinc/36/29/64/441362964.db2.gz NTKCZGYLTOSTMH-UHFFFAOYSA-N 1 2 330.436 1.669 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cnccn2)CC1 ZINC000027631626 441409845 /nfs/dbraw/zinc/40/98/45/441409845.db2.gz PDFGRLZRHJEAAP-RHSMWYFYSA-N 1 2 330.436 1.042 20 30 EDEDLO C=CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000074226403 441411307 /nfs/dbraw/zinc/41/13/07/441411307.db2.gz JOQHIFRYDRYUQH-GJZGRUSLSA-N 1 2 328.478 1.453 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(NC(=O)C(C)C)c2)CC1 ZINC000085271700 441431052 /nfs/dbraw/zinc/43/10/52/441431052.db2.gz FZNJSVYSYQQVEX-UHFFFAOYSA-N 1 2 342.443 1.470 20 30 EDEDLO Cc1cc(CN2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)no1 ZINC000052816553 441476805 /nfs/dbraw/zinc/47/68/05/441476805.db2.gz JQBJWKDHFQVAKP-CRAIPNDOSA-N 1 2 347.463 1.544 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccccn3)CC2)cc1 ZINC000053248427 441507347 /nfs/dbraw/zinc/50/73/47/441507347.db2.gz ZAYXHQXPGODWRK-UHFFFAOYSA-N 1 2 335.411 1.981 20 30 EDEDLO CO[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000076343474 441633651 /nfs/dbraw/zinc/63/36/51/441633651.db2.gz CYZJZWDIPNQGOC-INIZCTEOSA-N 1 2 339.399 1.793 20 30 EDEDLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000076343474 441633655 /nfs/dbraw/zinc/63/36/55/441633655.db2.gz CYZJZWDIPNQGOC-INIZCTEOSA-N 1 2 339.399 1.793 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076399571 441640645 /nfs/dbraw/zinc/64/06/45/441640645.db2.gz QCCKXWKXWCBFKV-ZDUSSCGKSA-N 1 2 334.386 1.565 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076399571 441640649 /nfs/dbraw/zinc/64/06/49/441640649.db2.gz QCCKXWKXWCBFKV-ZDUSSCGKSA-N 1 2 334.386 1.565 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000042505602 441742863 /nfs/dbraw/zinc/74/28/63/441742863.db2.gz UHLQGXBPEIIWPI-INIZCTEOSA-N 1 2 332.448 1.690 20 30 EDEDLO CC(C)N(C)C(=O)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115535490 441752715 /nfs/dbraw/zinc/75/27/15/441752715.db2.gz ZPMRNPOZHKXUKH-KRWDZBQOSA-N 1 2 342.443 1.663 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000043584902 441848210 /nfs/dbraw/zinc/84/82/10/441848210.db2.gz VIIVXTIHIKLEOP-CYBMUJFWSA-N 1 2 346.431 1.520 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000043584902 441848214 /nfs/dbraw/zinc/84/82/14/441848214.db2.gz VIIVXTIHIKLEOP-CYBMUJFWSA-N 1 2 346.431 1.520 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000043584504 441848289 /nfs/dbraw/zinc/84/82/89/441848289.db2.gz GBERLFXKJRVSKU-NSHDSACASA-N 1 2 336.367 1.096 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000043584504 441848291 /nfs/dbraw/zinc/84/82/91/441848291.db2.gz GBERLFXKJRVSKU-NSHDSACASA-N 1 2 336.367 1.096 20 30 EDEDLO Cc1ccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000078346219 441921965 /nfs/dbraw/zinc/92/19/65/441921965.db2.gz LAXZFXOMZSZSSN-UHFFFAOYSA-N 1 2 329.444 1.920 20 30 EDEDLO CCC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000161089174 441955358 /nfs/dbraw/zinc/95/53/58/441955358.db2.gz OWAXRGATAPNWJP-AWEZNQCLSA-N 1 2 332.429 1.605 20 30 EDEDLO CCC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000161089174 441955362 /nfs/dbraw/zinc/95/53/62/441955362.db2.gz OWAXRGATAPNWJP-AWEZNQCLSA-N 1 2 332.429 1.605 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000078678651 441961537 /nfs/dbraw/zinc/96/15/37/441961537.db2.gz JSKSZGYUNAQBJX-SJORKVTESA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000078678651 441961542 /nfs/dbraw/zinc/96/15/42/441961542.db2.gz JSKSZGYUNAQBJX-SJORKVTESA-N 1 2 333.476 1.487 20 30 EDEDLO CS(=O)(=O)CCCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000161428860 441999731 /nfs/dbraw/zinc/99/97/31/441999731.db2.gz NQAKFXSYJLFNSL-UHFFFAOYSA-N 1 2 339.436 1.644 20 30 EDEDLO C=CCCS(=O)(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000120538470 442091531 /nfs/dbraw/zinc/09/15/31/442091531.db2.gz PRVGCCQJUFKCER-UHFFFAOYSA-N 1 2 341.477 1.999 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000151541553 442081030 /nfs/dbraw/zinc/08/10/30/442081030.db2.gz VNZXTYUKNVHVAO-UHFFFAOYSA-N 1 2 343.225 1.231 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000151541553 442081033 /nfs/dbraw/zinc/08/10/33/442081033.db2.gz VNZXTYUKNVHVAO-UHFFFAOYSA-N 1 2 343.225 1.231 20 30 EDEDLO Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc[nH+]1 ZINC000127162217 442177118 /nfs/dbraw/zinc/17/71/18/442177118.db2.gz MXPTYPZYDJUGED-LBPRGKRZSA-N 1 2 344.396 1.567 20 30 EDEDLO CCNC(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000096966860 442152701 /nfs/dbraw/zinc/15/27/01/442152701.db2.gz LKRSYFGZQDWRRU-UHFFFAOYSA-N 1 2 335.433 1.295 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166347821 442215915 /nfs/dbraw/zinc/21/59/15/442215915.db2.gz UKGZBIMAYBZMNX-SFHVURJKSA-N 1 2 346.431 1.528 20 30 EDEDLO CC(=O)NC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000177083743 442295672 /nfs/dbraw/zinc/29/56/72/442295672.db2.gz RCOMZHLGLBDIPE-UHFFFAOYSA-N 1 2 334.445 1.776 20 30 EDEDLO C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)Cn1cc[nH+]c1 ZINC000153747072 442300088 /nfs/dbraw/zinc/30/00/88/442300088.db2.gz JHZDFJWPLFMMIR-CYBMUJFWSA-N 1 2 349.398 1.589 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000177157888 442307324 /nfs/dbraw/zinc/30/73/24/442307324.db2.gz JAZCTFNXRFVDGT-LSDHHAIUSA-N 1 2 346.456 1.132 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000177157888 442307326 /nfs/dbraw/zinc/30/73/26/442307326.db2.gz JAZCTFNXRFVDGT-LSDHHAIUSA-N 1 2 346.456 1.132 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H](N2CC[C@H]([NH+]3CCOCC3)C2)C1=O ZINC000177157888 442307329 /nfs/dbraw/zinc/30/73/29/442307329.db2.gz JAZCTFNXRFVDGT-LSDHHAIUSA-N 1 2 346.456 1.132 20 30 EDEDLO C=C(Br)CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000131425694 442371734 /nfs/dbraw/zinc/37/17/34/442371734.db2.gz ZOHIMWUYTDCIES-UHFFFAOYSA-N 1 2 330.270 1.525 20 30 EDEDLO C=C(Br)CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000131425694 442371736 /nfs/dbraw/zinc/37/17/36/442371736.db2.gz ZOHIMWUYTDCIES-UHFFFAOYSA-N 1 2 330.270 1.525 20 30 EDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000155308551 442386632 /nfs/dbraw/zinc/38/66/32/442386632.db2.gz BRXJJHVWMUGPNZ-QLFBSQMISA-N 1 2 331.416 1.813 20 30 EDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000155308551 442386634 /nfs/dbraw/zinc/38/66/34/442386634.db2.gz BRXJJHVWMUGPNZ-QLFBSQMISA-N 1 2 331.416 1.813 20 30 EDEDLO COCCCNC(=O)[C@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000178170798 442413280 /nfs/dbraw/zinc/41/32/80/442413280.db2.gz QITVZWATOBXFKF-NSHDSACASA-N 1 2 327.812 1.713 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178402654 442430522 /nfs/dbraw/zinc/43/05/22/442430522.db2.gz HEMBJSHASZYTDD-UHFFFAOYSA-N 1 2 326.381 1.826 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155926009 442437055 /nfs/dbraw/zinc/43/70/55/442437055.db2.gz PKRHJJAKNAEMIJ-DZGCQCFKSA-N 1 2 348.413 1.999 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155926009 442437059 /nfs/dbraw/zinc/43/70/59/442437059.db2.gz PKRHJJAKNAEMIJ-DZGCQCFKSA-N 1 2 348.413 1.999 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](CCO)Cc2cccnc2)c(C#N)c1C ZINC000157054079 442544854 /nfs/dbraw/zinc/54/48/54/442544854.db2.gz UFUMGUVFJPDEOO-CYBMUJFWSA-N 1 2 342.399 1.985 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](CCO)Cc2cccnc2)c(C#N)c1C ZINC000157054079 442544856 /nfs/dbraw/zinc/54/48/56/442544856.db2.gz UFUMGUVFJPDEOO-CYBMUJFWSA-N 1 2 342.399 1.985 20 30 EDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000192236309 442620152 /nfs/dbraw/zinc/62/01/52/442620152.db2.gz KUDMPPCQFQYTLU-ZDUSSCGKSA-N 1 2 337.445 1.265 20 30 EDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000192236309 442620155 /nfs/dbraw/zinc/62/01/55/442620155.db2.gz KUDMPPCQFQYTLU-ZDUSSCGKSA-N 1 2 337.445 1.265 20 30 EDEDLO C=CCNC(=O)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000180796768 442660188 /nfs/dbraw/zinc/66/01/88/442660188.db2.gz DIBKPEABVJETPK-ZDUSSCGKSA-N 1 2 340.374 1.169 20 30 EDEDLO C=CCNC(=O)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000180796788 442660409 /nfs/dbraw/zinc/66/04/09/442660409.db2.gz DIBKPEABVJETPK-CYBMUJFWSA-N 1 2 340.374 1.169 20 30 EDEDLO CCC[N@H+](CC(=O)N(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192550676 442661946 /nfs/dbraw/zinc/66/19/46/442661946.db2.gz LNQWMXZDSOGMGW-QGZVFWFLSA-N 1 2 342.443 1.854 20 30 EDEDLO CCC[N@@H+](CC(=O)N(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192550676 442661949 /nfs/dbraw/zinc/66/19/49/442661949.db2.gz LNQWMXZDSOGMGW-QGZVFWFLSA-N 1 2 342.443 1.854 20 30 EDEDLO C#CCOc1ccccc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000188106202 442712235 /nfs/dbraw/zinc/71/22/35/442712235.db2.gz WXGRDMRJFQKHCJ-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO C#CCOc1ccccc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000188106202 442712237 /nfs/dbraw/zinc/71/22/37/442712237.db2.gz WXGRDMRJFQKHCJ-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1C[C@H](O)C[C@H]1CO)c1cccc(Cl)c1 ZINC000248387272 442888462 /nfs/dbraw/zinc/88/84/62/442888462.db2.gz ATEUQRDOMCJLFN-LSDHHAIUSA-N 1 2 337.807 1.014 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO)c1cccc(Cl)c1 ZINC000248387272 442888467 /nfs/dbraw/zinc/88/84/67/442888467.db2.gz ATEUQRDOMCJLFN-LSDHHAIUSA-N 1 2 337.807 1.014 20 30 EDEDLO Cc1nc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)ccc1C#N ZINC000265799865 442926273 /nfs/dbraw/zinc/92/62/73/442926273.db2.gz WMQUNKBBIUAGOC-UHFFFAOYSA-N 1 2 343.456 1.901 20 30 EDEDLO COCC[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(C)o1 ZINC000268413050 442980331 /nfs/dbraw/zinc/98/03/31/442980331.db2.gz DRYOCNYJCYKMPB-UHFFFAOYSA-N 1 2 332.404 1.692 20 30 EDEDLO COCC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(C)o1 ZINC000268413050 442980332 /nfs/dbraw/zinc/98/03/32/442980332.db2.gz DRYOCNYJCYKMPB-UHFFFAOYSA-N 1 2 332.404 1.692 20 30 EDEDLO CC#CCNC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000190343239 443088663 /nfs/dbraw/zinc/08/86/63/443088663.db2.gz HZHDGUFKNQNKNN-UHFFFAOYSA-N 1 2 328.416 1.496 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc(OCC(F)(F)F)cc1 ZINC000266244942 443072510 /nfs/dbraw/zinc/07/25/10/443072510.db2.gz ALSPVSHWADEVME-UHFFFAOYSA-N 1 2 347.337 1.749 20 30 EDEDLO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000268828313 443120389 /nfs/dbraw/zinc/12/03/89/443120389.db2.gz ZSXTYYVOMOJEML-YMTOWFKASA-N 1 2 341.383 1.597 20 30 EDEDLO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000268828313 443120393 /nfs/dbraw/zinc/12/03/93/443120393.db2.gz ZSXTYYVOMOJEML-YMTOWFKASA-N 1 2 341.383 1.597 20 30 EDEDLO N#Cc1c(Cl)cccc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000266543490 443162629 /nfs/dbraw/zinc/16/26/29/443162629.db2.gz LNMMZTBLRYRUKK-UHFFFAOYSA-N 1 2 348.834 1.192 20 30 EDEDLO C=CCN(CCOC)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000191040376 443229758 /nfs/dbraw/zinc/22/97/58/443229758.db2.gz QCRWIDDOLQYRHW-SFHVURJKSA-N 1 2 347.459 1.904 20 30 EDEDLO N#CCN(CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000264250974 443256415 /nfs/dbraw/zinc/25/64/15/443256415.db2.gz FEAUPGCWOXQPII-UHFFFAOYSA-N 1 2 346.862 1.972 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246213372 443279437 /nfs/dbraw/zinc/27/94/37/443279437.db2.gz YOYMNUBKQBPBKO-UONOGXRCSA-N 1 2 329.466 1.036 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246213372 443279441 /nfs/dbraw/zinc/27/94/41/443279441.db2.gz YOYMNUBKQBPBKO-UONOGXRCSA-N 1 2 329.466 1.036 20 30 EDEDLO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H](O)C[NH+]1CCOCC1 ZINC000269402173 443304836 /nfs/dbraw/zinc/30/48/36/443304836.db2.gz XKECWTZFNJXULR-OAHLLOKOSA-N 1 2 344.390 1.659 20 30 EDEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000269638762 443374593 /nfs/dbraw/zinc/37/45/93/443374593.db2.gz CPCLKLPSCHYQHF-UHFFFAOYSA-N 1 2 329.422 1.024 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000282754561 443425013 /nfs/dbraw/zinc/42/50/13/443425013.db2.gz GPWIJKGBICDFSQ-ZDUSSCGKSA-N 1 2 349.460 1.661 20 30 EDEDLO CCOC(=O)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279362596 443563650 /nfs/dbraw/zinc/56/36/50/443563650.db2.gz HNSOQVPBSCJQDA-UHFFFAOYSA-N 1 2 327.388 1.854 20 30 EDEDLO CCOC(=O)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279362596 443563653 /nfs/dbraw/zinc/56/36/53/443563653.db2.gz HNSOQVPBSCJQDA-UHFFFAOYSA-N 1 2 327.388 1.854 20 30 EDEDLO COC(=O)C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000267757933 443567571 /nfs/dbraw/zinc/56/75/71/443567571.db2.gz FIQZSRVHXAZWOL-OAHLLOKOSA-N 1 2 331.372 1.151 20 30 EDEDLO COC(=O)C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000267757933 443567573 /nfs/dbraw/zinc/56/75/73/443567573.db2.gz FIQZSRVHXAZWOL-OAHLLOKOSA-N 1 2 331.372 1.151 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000286248450 443676486 /nfs/dbraw/zinc/67/64/86/443676486.db2.gz FXDKHNYAQUHSRF-KRWDZBQOSA-N 1 2 349.438 1.802 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000286248450 443676489 /nfs/dbraw/zinc/67/64/89/443676489.db2.gz FXDKHNYAQUHSRF-KRWDZBQOSA-N 1 2 349.438 1.802 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000276530219 443736269 /nfs/dbraw/zinc/73/62/69/443736269.db2.gz ZSWHGONYLFNOJI-JZXOWHBKSA-N 1 2 341.411 1.448 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000276530219 443736275 /nfs/dbraw/zinc/73/62/75/443736275.db2.gz ZSWHGONYLFNOJI-JZXOWHBKSA-N 1 2 341.411 1.448 20 30 EDEDLO CCCCNc1cc(NCCCc2[nH]nc(N)c2C#N)nc(N)[nH+]1 ZINC000280657376 443739348 /nfs/dbraw/zinc/73/93/48/443739348.db2.gz AZHXEVMXCIKOTH-UHFFFAOYSA-N 1 2 329.412 1.492 20 30 EDEDLO CCCCNc1cc(NCCCc2[nH]nc(N)c2C#N)[nH+]c(N)n1 ZINC000280657376 443739351 /nfs/dbraw/zinc/73/93/51/443739351.db2.gz AZHXEVMXCIKOTH-UHFFFAOYSA-N 1 2 329.412 1.492 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000284806454 443788777 /nfs/dbraw/zinc/78/87/77/443788777.db2.gz IMHHGHRWSGTCCK-UKRRQHHQSA-N 1 2 335.452 1.480 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000284806454 443788782 /nfs/dbraw/zinc/78/87/82/443788782.db2.gz IMHHGHRWSGTCCK-UKRRQHHQSA-N 1 2 335.452 1.480 20 30 EDEDLO COCCCONC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000288061600 443765712 /nfs/dbraw/zinc/76/57/12/443765712.db2.gz PYVFAWSLUYZMLP-UHFFFAOYSA-N 1 2 332.404 1.354 20 30 EDEDLO C#CC[N@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000284443137 443776115 /nfs/dbraw/zinc/77/61/15/443776115.db2.gz ZLJBKTQYUQNXEE-UHFFFAOYSA-N 1 2 329.425 1.564 20 30 EDEDLO C#CC[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000284443137 443776118 /nfs/dbraw/zinc/77/61/18/443776118.db2.gz ZLJBKTQYUQNXEE-UHFFFAOYSA-N 1 2 329.425 1.564 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)C1=O ZINC000281197656 443845425 /nfs/dbraw/zinc/84/54/25/443845425.db2.gz CFETVJCVVCOXHM-YPMHNXCESA-N 1 2 336.823 1.781 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)C1=O ZINC000281197656 443845429 /nfs/dbraw/zinc/84/54/29/443845429.db2.gz CFETVJCVVCOXHM-YPMHNXCESA-N 1 2 336.823 1.781 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2OCC)C1=O ZINC000281206417 443847097 /nfs/dbraw/zinc/84/70/97/443847097.db2.gz CUUBOLQGJOPPPG-HNNXBMFYSA-N 1 2 331.416 1.743 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2OCC)C1=O ZINC000281206417 443847100 /nfs/dbraw/zinc/84/71/00/443847100.db2.gz CUUBOLQGJOPPPG-HNNXBMFYSA-N 1 2 331.416 1.743 20 30 EDEDLO C=CCN1CC[C@@H](N(C)c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C1=O ZINC000292980492 443894419 /nfs/dbraw/zinc/89/44/19/443894419.db2.gz HVJYBFQRAYUGOV-HUUCEWRRSA-N 1 2 329.448 1.936 20 30 EDEDLO C=CCN1CC[C@@H](N(C)c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)C1=O ZINC000292980492 443894422 /nfs/dbraw/zinc/89/44/22/443894422.db2.gz HVJYBFQRAYUGOV-HUUCEWRRSA-N 1 2 329.448 1.936 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCCc2cccs2)C1=O ZINC000281219662 443850800 /nfs/dbraw/zinc/85/08/00/443850800.db2.gz DRKBZTPVCYAGPR-HIFRSBDPSA-N 1 2 335.473 1.514 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCCc2cccs2)C1=O ZINC000281219662 443850806 /nfs/dbraw/zinc/85/08/06/443850806.db2.gz DRKBZTPVCYAGPR-HIFRSBDPSA-N 1 2 335.473 1.514 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2c3ccccc3C[C@@H]2C)C1=O ZINC000281289967 443869858 /nfs/dbraw/zinc/86/98/58/443869858.db2.gz JFSAHRUMKLICMV-YOEHRIQHSA-N 1 2 327.428 1.683 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2c3ccccc3C[C@@H]2C)C1=O ZINC000281289967 443869862 /nfs/dbraw/zinc/86/98/62/443869862.db2.gz JFSAHRUMKLICMV-YOEHRIQHSA-N 1 2 327.428 1.683 20 30 EDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000292899818 443873290 /nfs/dbraw/zinc/87/32/90/443873290.db2.gz AGIIZWSFQSZAGA-ZDUSSCGKSA-N 1 2 337.445 1.219 20 30 EDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000292899818 443873295 /nfs/dbraw/zinc/87/32/95/443873295.db2.gz AGIIZWSFQSZAGA-ZDUSSCGKSA-N 1 2 337.445 1.219 20 30 EDEDLO C=CCCCS(=O)(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000293070764 443917210 /nfs/dbraw/zinc/91/72/10/443917210.db2.gz RUSLSJVQGWWLNO-UHFFFAOYSA-N 1 2 325.434 1.304 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000281694065 443981453 /nfs/dbraw/zinc/98/14/53/443981453.db2.gz BVHIOWHPGBZNMW-DOTOQJQBSA-N 1 2 330.432 1.894 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285493233 444005402 /nfs/dbraw/zinc/00/54/02/444005402.db2.gz MGAFQKFAIGBSNV-UHFFFAOYSA-N 1 2 328.372 1.243 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285493233 444005406 /nfs/dbraw/zinc/00/54/06/444005406.db2.gz MGAFQKFAIGBSNV-UHFFFAOYSA-N 1 2 328.372 1.243 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000299331651 444020776 /nfs/dbraw/zinc/02/07/76/444020776.db2.gz ZPMRAAUJPWRHPM-UHFFFAOYSA-N 1 2 328.416 1.037 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000299331651 444020781 /nfs/dbraw/zinc/02/07/81/444020781.db2.gz ZPMRAAUJPWRHPM-UHFFFAOYSA-N 1 2 328.416 1.037 20 30 EDEDLO CC(C)(C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCOCC1 ZINC000293579094 444060348 /nfs/dbraw/zinc/06/03/48/444060348.db2.gz ARXNHGDODWSFKI-HNNXBMFYSA-N 1 2 344.415 1.044 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1)C1CC1 ZINC000277911063 444063479 /nfs/dbraw/zinc/06/34/79/444063479.db2.gz XJJLNDWXFJBFIJ-UHFFFAOYSA-N 1 2 332.835 1.954 20 30 EDEDLO N#Cc1cc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)ncn1 ZINC000562433260 321058004 /nfs/dbraw/zinc/05/80/04/321058004.db2.gz IKJUJODOPQXLNE-UHFFFAOYSA-N 1 2 337.383 1.442 20 30 EDEDLO N#Cc1csc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000564413045 321130221 /nfs/dbraw/zinc/13/02/21/321130221.db2.gz CQTALYJZKINLRI-OAHLLOKOSA-N 1 2 337.408 1.777 20 30 EDEDLO N#CC1(c2ccc(C(=O)NCC3([NH+]4CCOCC4)CC3)cc2)CC1 ZINC000278098473 444094970 /nfs/dbraw/zinc/09/49/70/444094970.db2.gz ZEWBTBYKGQLCBD-UHFFFAOYSA-N 1 2 325.412 1.836 20 30 EDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cccc(C(F)F)c1C#N ZINC000569056718 321315885 /nfs/dbraw/zinc/31/58/85/321315885.db2.gz OIPZJEOAJVEGOV-GFCCVEGCSA-N 1 2 325.359 1.625 20 30 EDEDLO C=CCc1cc(C(=O)N2CC[NH+](CCOC)CC2)cc(OC)c1OC ZINC000294162261 444104291 /nfs/dbraw/zinc/10/42/91/444104291.db2.gz ILRQRIINTSQAHT-UHFFFAOYSA-N 1 2 348.443 1.837 20 30 EDEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@H]1CCNC1=O ZINC000282344680 444152810 /nfs/dbraw/zinc/15/28/10/444152810.db2.gz MIKOCXYRNYZUGV-KRWDZBQOSA-N 1 2 342.443 1.761 20 30 EDEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)[C@H]1CCNC1=O ZINC000282344680 444152815 /nfs/dbraw/zinc/15/28/15/444152815.db2.gz MIKOCXYRNYZUGV-KRWDZBQOSA-N 1 2 342.443 1.761 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)CCN1C ZINC000296120794 444206228 /nfs/dbraw/zinc/20/62/28/444206228.db2.gz VZORILLSKGWBAM-KBXCAEBGSA-N 1 2 327.432 1.709 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000289832682 444208969 /nfs/dbraw/zinc/20/89/69/444208969.db2.gz OSEUUUZPWYBJOO-RVKKMQEKSA-N 1 2 342.443 1.680 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000289585479 444176823 /nfs/dbraw/zinc/17/68/23/444176823.db2.gz BRUGWGKJEBSUSW-LJQANCHMSA-N 1 2 348.443 1.341 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000295480420 444186024 /nfs/dbraw/zinc/18/60/24/444186024.db2.gz YOMOOYDRKIXVPU-GJZGRUSLSA-N 1 2 347.484 1.994 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000295480420 444186026 /nfs/dbraw/zinc/18/60/26/444186026.db2.gz YOMOOYDRKIXVPU-GJZGRUSLSA-N 1 2 347.484 1.994 20 30 EDEDLO Cc1cc(C)c2ncc(C#N)c(N3CC[NH+]([C@@H](C)C(N)=O)CC3)c2c1 ZINC000301755158 444188948 /nfs/dbraw/zinc/18/89/48/444188948.db2.gz CYCQKLOEQYPHJW-AWEZNQCLSA-N 1 2 337.427 1.719 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@@H](O)C2)cc1C ZINC000295779546 444192923 /nfs/dbraw/zinc/19/29/23/444192923.db2.gz ZAIJWQRCAMKWTJ-KRWDZBQOSA-N 1 2 331.416 1.243 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@@H](O)C2)cc1C ZINC000295779546 444192925 /nfs/dbraw/zinc/19/29/25/444192925.db2.gz ZAIJWQRCAMKWTJ-KRWDZBQOSA-N 1 2 331.416 1.243 20 30 EDEDLO CC(C)(CC#N)CS(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000296870436 444259168 /nfs/dbraw/zinc/25/91/68/444259168.db2.gz ZOUAGQPKQVENER-UHFFFAOYSA-N 1 2 341.502 1.965 20 30 EDEDLO CC(C)(CC#N)CS(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000296870436 444259169 /nfs/dbraw/zinc/25/91/69/444259169.db2.gz ZOUAGQPKQVENER-UHFFFAOYSA-N 1 2 341.502 1.965 20 30 EDEDLO C#Cc1ccc(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000289993077 444228052 /nfs/dbraw/zinc/22/80/52/444228052.db2.gz KPBSHQGZWAGTHL-QGZVFWFLSA-N 1 2 325.456 1.796 20 30 EDEDLO C#CCOc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000296498447 444233770 /nfs/dbraw/zinc/23/37/70/444233770.db2.gz XWGHINUTNGTUOM-HNNXBMFYSA-N 1 2 331.416 1.219 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000290429005 444279713 /nfs/dbraw/zinc/27/97/13/444279713.db2.gz RBTHDRAWUFAJRA-YOEHRIQHSA-N 1 2 338.473 1.907 20 30 EDEDLO CCS(=O)(=O)C[C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330984884 444346532 /nfs/dbraw/zinc/34/65/32/444346532.db2.gz WOZNRCHVHPBKNO-GXTWGEPZSA-N 1 2 341.433 1.272 20 30 EDEDLO N#CCCCCNC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000339988221 444349779 /nfs/dbraw/zinc/34/97/79/444349779.db2.gz RWHIKWGNXABXKA-UHFFFAOYSA-N 1 2 333.779 1.414 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000339999357 444350626 /nfs/dbraw/zinc/35/06/26/444350626.db2.gz PWEIMDOKLPDJOC-UHFFFAOYSA-N 1 2 345.428 1.906 20 30 EDEDLO CC(=O)N1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000331129216 444406707 /nfs/dbraw/zinc/40/67/07/444406707.db2.gz SFCIWHUURZQVIW-GOSISDBHSA-N 1 2 340.427 1.071 20 30 EDEDLO CC(=O)N1CC[C@H](CN(C)C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000328866633 444380711 /nfs/dbraw/zinc/38/07/11/444380711.db2.gz WSBSKLKMKXMXRP-OAHLLOKOSA-N 1 2 335.452 1.753 20 30 EDEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000328867863 444381503 /nfs/dbraw/zinc/38/15/03/444381503.db2.gz CIZDDEVYDRXVHZ-LLVKDONJSA-N 1 2 331.332 1.265 20 30 EDEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000328867863 444381506 /nfs/dbraw/zinc/38/15/06/444381506.db2.gz CIZDDEVYDRXVHZ-LLVKDONJSA-N 1 2 331.332 1.265 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCNC(=O)C3CCCCC3)C[C@H]21 ZINC000328872624 444383418 /nfs/dbraw/zinc/38/34/18/444383418.db2.gz DXILJNOKEMZIAZ-HZPDHXFCSA-N 1 2 337.464 1.845 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCNC(=O)C3CCCCC3)C[C@H]21 ZINC000328872624 444383423 /nfs/dbraw/zinc/38/34/23/444383423.db2.gz DXILJNOKEMZIAZ-HZPDHXFCSA-N 1 2 337.464 1.845 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328877087 444385304 /nfs/dbraw/zinc/38/53/04/444385304.db2.gz KKPZQBWKDVEZNB-NCOADZHNSA-N 1 2 339.480 1.901 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328877087 444385307 /nfs/dbraw/zinc/38/53/07/444385307.db2.gz KKPZQBWKDVEZNB-NCOADZHNSA-N 1 2 339.480 1.901 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)C[C@H]21 ZINC000328913328 444399841 /nfs/dbraw/zinc/39/98/41/444399841.db2.gz HZRNCRKBNYUAJM-NEPJUHHUSA-N 1 2 340.305 1.127 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)C[C@H]21 ZINC000328913328 444399843 /nfs/dbraw/zinc/39/98/43/444399843.db2.gz HZRNCRKBNYUAJM-NEPJUHHUSA-N 1 2 340.305 1.127 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@@H]2COC[C@H](C1)O2 ZINC000328752282 444449478 /nfs/dbraw/zinc/44/94/78/444449478.db2.gz RUTMDEMPFUECFZ-OKILXGFUSA-N 1 2 330.388 1.358 20 30 EDEDLO Cc1noc([C@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000329032530 444452470 /nfs/dbraw/zinc/45/24/70/444452470.db2.gz LTHJPUIXCZRXEJ-QWHCGFSZSA-N 1 2 343.412 1.906 20 30 EDEDLO Cc1noc([C@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000329032530 444452473 /nfs/dbraw/zinc/45/24/73/444452473.db2.gz LTHJPUIXCZRXEJ-QWHCGFSZSA-N 1 2 343.412 1.906 20 30 EDEDLO C=CCn1c(Cc2ccsc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000337894750 444452699 /nfs/dbraw/zinc/45/26/99/444452699.db2.gz CJWLEHMCDLEIHJ-UHFFFAOYSA-N 1 2 347.488 1.885 20 30 EDEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000337902327 444454961 /nfs/dbraw/zinc/45/49/61/444454961.db2.gz KCEPHZOMAAKECJ-UHFFFAOYSA-N 1 2 348.495 1.578 20 30 EDEDLO Cn1cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(C(F)(F)F)n1 ZINC000329057069 444460834 /nfs/dbraw/zinc/46/08/34/444460834.db2.gz SUTLHOAUAPGRFS-GHMZBOCLSA-N 1 2 347.341 1.389 20 30 EDEDLO Cn1cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(C(F)(F)F)n1 ZINC000329057069 444460837 /nfs/dbraw/zinc/46/08/37/444460837.db2.gz SUTLHOAUAPGRFS-GHMZBOCLSA-N 1 2 347.341 1.389 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc(OC(F)F)nc2)C1 ZINC000328687974 444430543 /nfs/dbraw/zinc/43/05/43/444430543.db2.gz HKANEUVICDOTCU-LLVKDONJSA-N 1 2 329.351 1.255 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc(OC(F)F)nc2)C1 ZINC000328687974 444430549 /nfs/dbraw/zinc/43/05/49/444430549.db2.gz HKANEUVICDOTCU-LLVKDONJSA-N 1 2 329.351 1.255 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000328975893 444431100 /nfs/dbraw/zinc/43/11/00/444431100.db2.gz PZOCVZQYRJNLIW-XUWVNRHRSA-N 1 2 326.437 1.638 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000328975893 444431101 /nfs/dbraw/zinc/43/11/01/444431101.db2.gz PZOCVZQYRJNLIW-XUWVNRHRSA-N 1 2 326.437 1.638 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@@H]2CCCOC2)CCC(=O)N1C1CC1 ZINC000329000579 444439845 /nfs/dbraw/zinc/43/98/45/444439845.db2.gz HLCPGJGJYLYFJE-SUYBPPKGSA-N 1 2 346.431 1.998 20 30 EDEDLO Cc1n[nH]c(=O)c(C(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c1C ZINC000328730773 444442886 /nfs/dbraw/zinc/44/28/86/444442886.db2.gz ICNPLKCBJXPDGY-LBPRGKRZSA-N 1 2 347.419 1.064 20 30 EDEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1cnccn1 ZINC000340696870 444482122 /nfs/dbraw/zinc/48/21/22/444482122.db2.gz XWSOLWJDCZSGBD-CYBMUJFWSA-N 1 2 346.460 1.734 20 30 EDEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1cnccn1 ZINC000340696870 444482125 /nfs/dbraw/zinc/48/21/25/444482125.db2.gz XWSOLWJDCZSGBD-CYBMUJFWSA-N 1 2 346.460 1.734 20 30 EDEDLO CC(C)[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000329152117 444485245 /nfs/dbraw/zinc/48/52/45/444485245.db2.gz STOSQBQZRUMDLJ-CABCVRRESA-N 1 2 327.469 1.804 20 30 EDEDLO CC(C)[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000329152117 444485248 /nfs/dbraw/zinc/48/52/48/444485248.db2.gz STOSQBQZRUMDLJ-CABCVRRESA-N 1 2 327.469 1.804 20 30 EDEDLO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329164238 444489196 /nfs/dbraw/zinc/48/91/96/444489196.db2.gz GVDQIUVWGLZBOS-IMJJTQAJSA-N 1 2 334.441 1.966 20 30 EDEDLO O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329164238 444489198 /nfs/dbraw/zinc/48/91/98/444489198.db2.gz GVDQIUVWGLZBOS-IMJJTQAJSA-N 1 2 334.441 1.966 20 30 EDEDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000580392794 322043717 /nfs/dbraw/zinc/04/37/17/322043717.db2.gz ODGANFDDNMSXFT-HNNXBMFYSA-N 1 2 341.459 1.913 20 30 EDEDLO COc1ccccc1C[N@H+](CCO)Cc1cnc2c(C#N)cnn2c1 ZINC000581429915 322176900 /nfs/dbraw/zinc/17/69/00/322176900.db2.gz PCRKMUXPJSAFIN-UHFFFAOYSA-N 1 2 337.383 1.604 20 30 EDEDLO COc1ccccc1C[N@@H+](CCO)Cc1cnc2c(C#N)cnn2c1 ZINC000581429915 322176901 /nfs/dbraw/zinc/17/69/01/322176901.db2.gz PCRKMUXPJSAFIN-UHFFFAOYSA-N 1 2 337.383 1.604 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329235576 444508447 /nfs/dbraw/zinc/50/84/47/444508447.db2.gz NPFAUWCWYZTXOF-VQHPVUNQSA-N 1 2 337.464 1.677 20 30 EDEDLO CC(C)[C@@H]1CCCN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332302765 444509478 /nfs/dbraw/zinc/50/94/78/444509478.db2.gz LLUXRUGKFBDLDD-MRXNPFEDSA-N 1 2 348.491 1.717 20 30 EDEDLO C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC(=O)N1 ZINC000329265789 444516324 /nfs/dbraw/zinc/51/63/24/444516324.db2.gz CNHRELBEMVGFCA-KGLIPLIRSA-N 1 2 346.435 1.310 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC(C(C)(C)O)C1)C1CCOCC1 ZINC000329320524 444533862 /nfs/dbraw/zinc/53/38/62/444533862.db2.gz IYHCPUCVUYIXHA-CQSZACIVSA-N 1 2 336.436 1.505 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000332773844 444547689 /nfs/dbraw/zinc/54/76/89/444547689.db2.gz HRJFHLIQFZSEPC-YFHUEUNASA-N 1 2 335.448 1.311 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000332773844 444547693 /nfs/dbraw/zinc/54/76/93/444547693.db2.gz HRJFHLIQFZSEPC-YFHUEUNASA-N 1 2 335.448 1.311 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)N1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000329566095 444631239 /nfs/dbraw/zinc/63/12/39/444631239.db2.gz KRBVIZIREDINRC-LBPRGKRZSA-N 1 2 328.420 1.535 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000329566095 444631243 /nfs/dbraw/zinc/63/12/43/444631243.db2.gz KRBVIZIREDINRC-LBPRGKRZSA-N 1 2 328.420 1.535 20 30 EDEDLO CCOC(=O)C[C@@H](C)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343816022 444607972 /nfs/dbraw/zinc/60/79/72/444607972.db2.gz MBYWAPHYUMWNTL-GFCCVEGCSA-N 1 2 339.417 1.000 20 30 EDEDLO CCOC(=O)C[C@@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343816022 444607973 /nfs/dbraw/zinc/60/79/73/444607973.db2.gz MBYWAPHYUMWNTL-GFCCVEGCSA-N 1 2 339.417 1.000 20 30 EDEDLO N#CCC1(CS(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000329619579 444651507 /nfs/dbraw/zinc/65/15/07/444651507.db2.gz TZKBIAALBPKCJC-UHFFFAOYSA-N 1 2 334.445 1.795 20 30 EDEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329621339 444652054 /nfs/dbraw/zinc/65/20/54/444652054.db2.gz FOMIHTYRGBVEDN-XHSDSOJGSA-N 1 2 346.431 1.035 20 30 EDEDLO Cc1cc(C[C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)n[nH]1 ZINC000329629057 444655799 /nfs/dbraw/zinc/65/57/99/444655799.db2.gz UWTFUQMUBXHUDK-XNRPHZJLSA-N 1 2 335.452 1.358 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000342388189 444669646 /nfs/dbraw/zinc/66/96/46/444669646.db2.gz YEWFONJNJOHEFA-UHFFFAOYSA-N 1 2 343.412 1.681 20 30 EDEDLO CO[C@@H]1C[C@H](c2nnc(C)[nH]2)N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000344021967 444733001 /nfs/dbraw/zinc/73/30/01/444733001.db2.gz YFPKJFVCTZXZFN-HUUCEWRRSA-N 1 2 337.387 1.595 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCCS3)CC2)cn1 ZINC000329766370 444708915 /nfs/dbraw/zinc/70/89/15/444708915.db2.gz YBGFWHYBNYZJGU-HNNXBMFYSA-N 1 2 337.493 1.737 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(C(=O)NC(N)=O)c3)n2c1 ZINC000338481167 444715274 /nfs/dbraw/zinc/71/52/74/444715274.db2.gz SKSNSNVZSAOOEC-UHFFFAOYSA-N 1 2 334.339 1.627 20 30 EDEDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329783678 444715616 /nfs/dbraw/zinc/71/56/16/444715616.db2.gz VHHINQMDAACDBK-FGTMMUONSA-N 1 2 345.443 1.837 20 30 EDEDLO CN1C(=O)NC2(CCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)C1=O ZINC000329786573 444716705 /nfs/dbraw/zinc/71/67/05/444716705.db2.gz QQQAOGNLMJAWGE-UHFFFAOYSA-N 1 2 342.359 1.100 20 30 EDEDLO C[C@H]1[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)CCC[N@@H+]1C ZINC000343957128 444693549 /nfs/dbraw/zinc/69/35/49/444693549.db2.gz IBLJGYNCRXDRTI-ZANVPECISA-N 1 2 329.372 1.597 20 30 EDEDLO C[C@H]1[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)CCC[N@H+]1C ZINC000343957128 444693552 /nfs/dbraw/zinc/69/35/52/444693552.db2.gz IBLJGYNCRXDRTI-ZANVPECISA-N 1 2 329.372 1.597 20 30 EDEDLO Cn1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c([C@@H]2CCOC2)n1 ZINC000329839555 444736285 /nfs/dbraw/zinc/73/62/85/444736285.db2.gz JFVJFAOJSNPMPY-ZIAGYGMSSA-N 1 2 341.415 1.903 20 30 EDEDLO [O-]C(=[NH+]C[C@H]1CCc2[nH+]ccn2C1)N1CCC(c2cc[nH]n2)CC1 ZINC000329911945 444764843 /nfs/dbraw/zinc/76/48/43/444764843.db2.gz OCKRNJZEQMMPNL-CYBMUJFWSA-N 1 2 328.420 1.962 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(-n4cccn4)c3)C[C@H]21 ZINC000329925444 444770992 /nfs/dbraw/zinc/77/09/92/444770992.db2.gz JUNLEKJNPJWUAB-CVEARBPZSA-N 1 2 327.388 1.433 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(-n4cccn4)c3)C[C@H]21 ZINC000329925444 444770995 /nfs/dbraw/zinc/77/09/95/444770995.db2.gz JUNLEKJNPJWUAB-CVEARBPZSA-N 1 2 327.388 1.433 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@]2(CCOC2)O1 ZINC000330149330 444862845 /nfs/dbraw/zinc/86/28/45/444862845.db2.gz KBAGVMZBWWOOKY-ALKREAHSSA-N 1 2 346.427 1.826 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@]2(CCOC2)O1 ZINC000330149330 444862848 /nfs/dbraw/zinc/86/28/48/444862848.db2.gz KBAGVMZBWWOOKY-ALKREAHSSA-N 1 2 346.427 1.826 20 30 EDEDLO CC(C)CN1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@@H](C)C1=O ZINC000330201340 444886025 /nfs/dbraw/zinc/88/60/25/444886025.db2.gz XQEIAJLPTGDDIB-GJZGRUSLSA-N 1 2 347.463 1.863 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 ZINC000341576562 444903053 /nfs/dbraw/zinc/90/30/53/444903053.db2.gz SNOYFXKXRBMTRD-MRXNPFEDSA-N 1 2 337.445 1.088 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 ZINC000341576562 444903057 /nfs/dbraw/zinc/90/30/57/444903057.db2.gz SNOYFXKXRBMTRD-MRXNPFEDSA-N 1 2 337.445 1.088 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCOCC2(CCOCC2)C1 ZINC000330280714 444920515 /nfs/dbraw/zinc/92/05/15/444920515.db2.gz SVVISBJUYSPDNK-AWEZNQCLSA-N 1 2 334.420 1.241 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c(OC)c1 ZINC000330289763 444923945 /nfs/dbraw/zinc/92/39/45/444923945.db2.gz FEVJEIIMLSGBQC-XGWLTEMNSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(OC)c1 ZINC000330289763 444923949 /nfs/dbraw/zinc/92/39/49/444923949.db2.gz FEVJEIIMLSGBQC-XGWLTEMNSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3OCCN(C)[C@@H]3C2)c(OC)c1 ZINC000330289763 444923955 /nfs/dbraw/zinc/92/39/55/444923955.db2.gz FEVJEIIMLSGBQC-XGWLTEMNSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3OCCN(C)[C@@H]3C2)c(OC)c1 ZINC000330289763 444923958 /nfs/dbraw/zinc/92/39/58/444923958.db2.gz FEVJEIIMLSGBQC-XGWLTEMNSA-N 1 2 349.431 1.695 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330343967 444945273 /nfs/dbraw/zinc/94/52/73/444945273.db2.gz CLMGSQHVDAMUTR-NJAFHUGGSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330343967 444945275 /nfs/dbraw/zinc/94/52/75/444945275.db2.gz CLMGSQHVDAMUTR-NJAFHUGGSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330343967 444945278 /nfs/dbraw/zinc/94/52/78/444945278.db2.gz CLMGSQHVDAMUTR-NJAFHUGGSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330343967 444945280 /nfs/dbraw/zinc/94/52/80/444945280.db2.gz CLMGSQHVDAMUTR-NJAFHUGGSA-N 1 2 342.443 1.337 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000330400524 444966644 /nfs/dbraw/zinc/96/66/44/444966644.db2.gz DVTQYDNRZPOZFI-QWHCGFSZSA-N 1 2 340.468 1.584 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000330400524 444966648 /nfs/dbraw/zinc/96/66/48/444966648.db2.gz DVTQYDNRZPOZFI-QWHCGFSZSA-N 1 2 340.468 1.584 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc(F)cc3OC)CC2)C1=O ZINC000337174212 444973049 /nfs/dbraw/zinc/97/30/49/444973049.db2.gz HSNYKMGGSLTFOK-INIZCTEOSA-N 1 2 333.407 1.743 20 30 EDEDLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000339002850 444979581 /nfs/dbraw/zinc/97/95/81/444979581.db2.gz LUWVFOKVWKWPET-KRWDZBQOSA-N 1 2 345.443 1.837 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(F)cc2)C1=O ZINC000337236704 444998093 /nfs/dbraw/zinc/99/80/93/444998093.db2.gz YECDZIPEOZWUIW-CZUORRHYSA-N 1 2 333.407 1.722 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(F)cc2)C1=O ZINC000337236704 444998098 /nfs/dbraw/zinc/99/80/98/444998098.db2.gz YECDZIPEOZWUIW-CZUORRHYSA-N 1 2 333.407 1.722 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000330634868 445073066 /nfs/dbraw/zinc/07/30/66/445073066.db2.gz LZPIUCZLVYQTER-AWEZNQCLSA-N 1 2 341.452 1.285 20 30 EDEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000330634868 445073069 /nfs/dbraw/zinc/07/30/69/445073069.db2.gz LZPIUCZLVYQTER-AWEZNQCLSA-N 1 2 341.452 1.285 20 30 EDEDLO Cc1cc(C[NH+]2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)on1 ZINC000330638598 445074861 /nfs/dbraw/zinc/07/48/61/445074861.db2.gz BDDFMUJIZDARBS-MAUKXSAKSA-N 1 2 347.463 1.544 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337441764 445082362 /nfs/dbraw/zinc/08/23/62/445082362.db2.gz JTOVDEYZXHEFBI-JKSUJKDBSA-N 1 2 344.459 1.898 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337441764 445082363 /nfs/dbraw/zinc/08/23/63/445082363.db2.gz JTOVDEYZXHEFBI-JKSUJKDBSA-N 1 2 344.459 1.898 20 30 EDEDLO CO[C@@H]1C[C@@H](C(N)=O)[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000344528974 445036667 /nfs/dbraw/zinc/03/66/67/445036667.db2.gz XMWAYYBPDRZMEM-KGLIPLIRSA-N 1 2 342.317 1.511 20 30 EDEDLO CO[C@@H]1C[C@@H](C(N)=O)[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000344528974 445036668 /nfs/dbraw/zinc/03/66/68/445036668.db2.gz XMWAYYBPDRZMEM-KGLIPLIRSA-N 1 2 342.317 1.511 20 30 EDEDLO CC(C)N(C[C@H](C)O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000330705029 445104271 /nfs/dbraw/zinc/10/42/71/445104271.db2.gz ROPGGMWPAMXHJS-AWEZNQCLSA-N 1 2 336.436 1.423 20 30 EDEDLO C=CCN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000339243553 445109696 /nfs/dbraw/zinc/10/96/96/445109696.db2.gz JBGGEZHCHWNKAE-QGZVFWFLSA-N 1 2 326.400 1.672 20 30 EDEDLO C=CCN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000339243553 445109699 /nfs/dbraw/zinc/10/96/99/445109699.db2.gz JBGGEZHCHWNKAE-QGZVFWFLSA-N 1 2 326.400 1.672 20 30 EDEDLO CO[C@H]1C[C@@H](c2nnc[nH]2)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000344663340 445114045 /nfs/dbraw/zinc/11/40/45/445114045.db2.gz WDVOXEBUQCCTMR-GJZGRUSLSA-N 1 2 340.387 1.467 20 30 EDEDLO CO[C@H]1C[C@@H](c2nnc[nH]2)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000344663340 445114047 /nfs/dbraw/zinc/11/40/47/445114047.db2.gz WDVOXEBUQCCTMR-GJZGRUSLSA-N 1 2 340.387 1.467 20 30 EDEDLO CC(C)C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000339272848 445129285 /nfs/dbraw/zinc/12/92/85/445129285.db2.gz DIFARQMQGMZMEE-MRXNPFEDSA-N 1 2 328.416 1.733 20 30 EDEDLO CC(C)C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000339272848 445129289 /nfs/dbraw/zinc/12/92/89/445129289.db2.gz DIFARQMQGMZMEE-MRXNPFEDSA-N 1 2 328.416 1.733 20 30 EDEDLO Cc1cnc(N2CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)CC2)s1 ZINC000330852443 445166379 /nfs/dbraw/zinc/16/63/79/445166379.db2.gz XGEMUQVCLZKHIQ-GFCCVEGCSA-N 1 2 339.465 1.401 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000339941552 445185513 /nfs/dbraw/zinc/18/55/13/445185513.db2.gz OZJCAFDMDVIJGH-CQSZACIVSA-N 1 2 328.416 1.854 20 30 EDEDLO COC(=O)[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330894901 445185621 /nfs/dbraw/zinc/18/56/21/445185621.db2.gz ROJDHNMLVSCSKV-SNVBAGLBSA-N 1 2 348.325 1.744 20 30 EDEDLO CCSc1nnc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)s1 ZINC000330791218 445143429 /nfs/dbraw/zinc/14/34/29/445143429.db2.gz BFTOHNCGNIHMNZ-UHFFFAOYSA-N 1 2 345.494 2.087 20 30 EDEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1SCC(N)=O ZINC000347709278 445245746 /nfs/dbraw/zinc/24/57/46/445245746.db2.gz UBVDUFSIGCMTRN-NEPJUHHUSA-N 1 2 332.429 1.484 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000348543751 445321486 /nfs/dbraw/zinc/32/14/86/445321486.db2.gz MGVDUEDZBWYQOO-WFASDCNBSA-N 1 2 327.450 1.021 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000348543751 445321491 /nfs/dbraw/zinc/32/14/91/445321491.db2.gz MGVDUEDZBWYQOO-WFASDCNBSA-N 1 2 327.450 1.021 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000348543806 445321657 /nfs/dbraw/zinc/32/16/57/445321657.db2.gz MQHJTWUMGMQCDG-AWEZNQCLSA-N 1 2 327.306 1.174 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000348543806 445321659 /nfs/dbraw/zinc/32/16/59/445321659.db2.gz MQHJTWUMGMQCDG-AWEZNQCLSA-N 1 2 327.306 1.174 20 30 EDEDLO COc1cc(C#N)cc(OCC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000362715204 445514365 /nfs/dbraw/zinc/51/43/65/445514365.db2.gz JYKSISGJPFBRJY-UHFFFAOYSA-N 1 2 347.415 1.173 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000352283899 445517776 /nfs/dbraw/zinc/51/77/76/445517776.db2.gz KWWKZTIKJYXFHR-IEBWSBKVSA-N 1 2 332.444 1.812 20 30 EDEDLO Cc1cc(N2CCN(S(=O)(=O)[C@@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC000352406112 445527004 /nfs/dbraw/zinc/52/70/04/445527004.db2.gz LBMYMODBBZROBT-ZDUSSCGKSA-N 1 2 337.449 1.272 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352450008 445530096 /nfs/dbraw/zinc/53/00/96/445530096.db2.gz PXUKBWXYUODRDP-UONOGXRCSA-N 1 2 339.411 1.504 20 30 EDEDLO C=CC[C@H]1N(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)CCCC1(C)C ZINC000358155799 445608567 /nfs/dbraw/zinc/60/85/67/445608567.db2.gz OVKKVKUFPJTPDZ-LSDHHAIUSA-N 1 2 337.464 1.027 20 30 EDEDLO C=CC[C@H]1N(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)CCCC1(C)C ZINC000358155799 445608568 /nfs/dbraw/zinc/60/85/68/445608568.db2.gz OVKKVKUFPJTPDZ-LSDHHAIUSA-N 1 2 337.464 1.027 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000349948019 445731453 /nfs/dbraw/zinc/73/14/53/445731453.db2.gz UNOKCTRYLYJFTQ-CABCVRRESA-N 1 2 335.427 1.387 20 30 EDEDLO Cc1csc(N2CCC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)n1 ZINC000363285984 445752136 /nfs/dbraw/zinc/75/21/36/445752136.db2.gz YDWMALWJZYLYQI-QGZVFWFLSA-N 1 2 347.488 1.772 20 30 EDEDLO Cc1csc(N2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)n1 ZINC000363285984 445752138 /nfs/dbraw/zinc/75/21/38/445752138.db2.gz YDWMALWJZYLYQI-QGZVFWFLSA-N 1 2 347.488 1.772 20 30 EDEDLO C=CC[C@H](C)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000350136890 445777561 /nfs/dbraw/zinc/77/75/61/445777561.db2.gz CUATWIKCUZEKJX-ZDUSSCGKSA-N 1 2 331.420 1.555 20 30 EDEDLO N#CC[C@@H](CC(=O)NCCC[N@@H+]1CCNC(=O)C1)c1ccccc1 ZINC000356546217 445852423 /nfs/dbraw/zinc/85/24/23/445852423.db2.gz IEZVTPZYEMIBEY-INIZCTEOSA-N 1 2 328.416 1.012 20 30 EDEDLO N#CC[C@@H](CC(=O)NCCC[N@H+]1CCNC(=O)C1)c1ccccc1 ZINC000356546217 445852424 /nfs/dbraw/zinc/85/24/24/445852424.db2.gz IEZVTPZYEMIBEY-INIZCTEOSA-N 1 2 328.416 1.012 20 30 EDEDLO C=CCNC(=O)c1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)nc1 ZINC000369085097 445918508 /nfs/dbraw/zinc/91/85/08/445918508.db2.gz PXIHFMABEFOXCW-INIZCTEOSA-N 1 2 341.415 1.671 20 30 EDEDLO CCc1nc(C[NH+]2C[C@H]3CN(c4nccc(C)c4C#N)C[C@@H]3C2)no1 ZINC000372976752 445954622 /nfs/dbraw/zinc/95/46/22/445954622.db2.gz ORDKYCISCDSMPS-KBPBESRZSA-N 1 2 338.415 1.775 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CCCn3cc[nH+]c32)n1 ZINC000365117643 446036079 /nfs/dbraw/zinc/03/60/79/446036079.db2.gz DPGKTUITOLRQHE-HNNXBMFYSA-N 1 2 340.431 1.822 20 30 EDEDLO C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000356810185 446040831 /nfs/dbraw/zinc/04/08/31/446040831.db2.gz FQSSTIOCMRHRID-KDOFPFPSSA-N 1 2 342.443 1.559 20 30 EDEDLO C=CCCC(=O)N1C[C@@H](C(=O)N2CC[NH+](C)CC2)Oc2ccccc21 ZINC000365136547 446046506 /nfs/dbraw/zinc/04/65/06/446046506.db2.gz WQNNVWPOXMXLHS-KRWDZBQOSA-N 1 2 343.427 1.521 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1C#N ZINC000356776548 446007501 /nfs/dbraw/zinc/00/75/01/446007501.db2.gz GDOXETFTSYNBJB-HNNXBMFYSA-N 1 2 337.383 1.806 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000354218969 446012683 /nfs/dbraw/zinc/01/26/83/446012683.db2.gz CDZUGKBGBMYLQI-GFCCVEGCSA-N 1 2 341.346 1.765 20 30 EDEDLO C=CCOCC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000354297045 446091473 /nfs/dbraw/zinc/09/14/73/446091473.db2.gz QDGKSJYXOWZEAZ-QGZVFWFLSA-N 1 2 345.399 1.846 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000365241164 446095029 /nfs/dbraw/zinc/09/50/29/446095029.db2.gz LCCGWVCOZISGBZ-IFXJQAMLSA-N 1 2 331.379 1.742 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000365241164 446095037 /nfs/dbraw/zinc/09/50/37/446095037.db2.gz LCCGWVCOZISGBZ-IFXJQAMLSA-N 1 2 331.379 1.742 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369386080 446113840 /nfs/dbraw/zinc/11/38/40/446113840.db2.gz ONBAIVPIPIAMJA-AWEZNQCLSA-N 1 2 332.404 1.188 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369386080 446113843 /nfs/dbraw/zinc/11/38/43/446113843.db2.gz ONBAIVPIPIAMJA-AWEZNQCLSA-N 1 2 332.404 1.188 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354374021 446157306 /nfs/dbraw/zinc/15/73/06/446157306.db2.gz XJCXFNYBKGCVHO-AWEZNQCLSA-N 1 2 339.399 1.393 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000366432465 446210620 /nfs/dbraw/zinc/21/06/20/446210620.db2.gz DUHGWVTXMQUVET-BPUTZDHNSA-N 1 2 328.416 1.992 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000366432465 446210628 /nfs/dbraw/zinc/21/06/28/446210628.db2.gz DUHGWVTXMQUVET-BPUTZDHNSA-N 1 2 328.416 1.992 20 30 EDEDLO N#Cc1cccc(C#N)c1NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000365532265 446242688 /nfs/dbraw/zinc/24/26/88/446242688.db2.gz INPOGSOVHRLRBB-GOSISDBHSA-N 1 2 326.400 1.723 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000365883978 446387218 /nfs/dbraw/zinc/38/72/18/446387218.db2.gz GYEAOUHNZVZDKP-NSHDSACASA-N 1 2 341.346 1.765 20 30 EDEDLO CCOC(C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1)OCC ZINC000376374204 446459942 /nfs/dbraw/zinc/45/99/42/446459942.db2.gz CBSJMOPVQJWEAE-UHFFFAOYSA-N 1 2 331.416 1.602 20 30 EDEDLO CCOC(C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1)OCC ZINC000376374204 446459946 /nfs/dbraw/zinc/45/99/46/446459946.db2.gz CBSJMOPVQJWEAE-UHFFFAOYSA-N 1 2 331.416 1.602 20 30 EDEDLO C#Cc1cccc(NC(=O)N2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1 ZINC000376540146 446563891 /nfs/dbraw/zinc/56/38/91/446563891.db2.gz KEJJWEWLIACFOH-UHFFFAOYSA-N 1 2 340.427 1.438 20 30 EDEDLO C#Cc1cccc(NC(=O)N2CCC(N3CC[N@H+](C)CC3=O)CC2)c1 ZINC000376540146 446563897 /nfs/dbraw/zinc/56/38/97/446563897.db2.gz KEJJWEWLIACFOH-UHFFFAOYSA-N 1 2 340.427 1.438 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367487177 446554157 /nfs/dbraw/zinc/55/41/57/446554157.db2.gz XGOHZDRKRXOCTR-KRWDZBQOSA-N 1 2 326.400 1.694 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367487177 446554161 /nfs/dbraw/zinc/55/41/61/446554161.db2.gz XGOHZDRKRXOCTR-KRWDZBQOSA-N 1 2 326.400 1.694 20 30 EDEDLO C=CCSCCNC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000434859235 446664111 /nfs/dbraw/zinc/66/41/11/446664111.db2.gz CTTBEKUPYZSKMC-OAHLLOKOSA-N 1 2 327.494 1.658 20 30 EDEDLO C=CCSCCNC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000434859235 446664117 /nfs/dbraw/zinc/66/41/17/446664117.db2.gz CTTBEKUPYZSKMC-OAHLLOKOSA-N 1 2 327.494 1.658 20 30 EDEDLO COCCN1CCC[N@H+](CCOc2ccc(C#N)cc2OC)CC1=O ZINC000375498979 446850695 /nfs/dbraw/zinc/85/06/95/446850695.db2.gz HESDBMBIJPBGAE-UHFFFAOYSA-N 1 2 347.415 1.126 20 30 EDEDLO COCCN1CCC[N@@H+](CCOc2ccc(C#N)cc2OC)CC1=O ZINC000375498979 446850700 /nfs/dbraw/zinc/85/07/00/446850700.db2.gz HESDBMBIJPBGAE-UHFFFAOYSA-N 1 2 347.415 1.126 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000454529047 446901549 /nfs/dbraw/zinc/90/15/49/446901549.db2.gz FEEUQTAKGWGYSJ-INIZCTEOSA-N 1 2 333.432 1.967 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C#N)CCc2ccccc2C1 ZINC000371478559 446882793 /nfs/dbraw/zinc/88/27/93/446882793.db2.gz YAPFOARJNOGJFK-DNVCBOLYSA-N 1 2 327.428 1.522 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CSCCC(C)C)CC1 ZINC000371606670 446936894 /nfs/dbraw/zinc/93/68/94/446936894.db2.gz GBEWNYZCSZPLAO-UHFFFAOYSA-N 1 2 339.505 1.049 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CSCCC(C)C)CC1 ZINC000371606670 446936898 /nfs/dbraw/zinc/93/68/98/446936898.db2.gz GBEWNYZCSZPLAO-UHFFFAOYSA-N 1 2 339.505 1.049 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000421044593 447007589 /nfs/dbraw/zinc/00/75/89/447007589.db2.gz SOBDFJSZZAYRTI-RDJZCZTQSA-N 1 2 348.491 1.765 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000421044593 447007594 /nfs/dbraw/zinc/00/75/94/447007594.db2.gz SOBDFJSZZAYRTI-RDJZCZTQSA-N 1 2 348.491 1.765 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)COC3CCOCC3)CCO2)c1 ZINC000372344911 447042229 /nfs/dbraw/zinc/04/22/29/447042229.db2.gz IOKOVYCWOHOEKA-PKOBYXMFSA-N 1 2 346.427 1.488 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)COC3CCOCC3)CCO2)c1 ZINC000372344911 447042237 /nfs/dbraw/zinc/04/22/37/447042237.db2.gz IOKOVYCWOHOEKA-PKOBYXMFSA-N 1 2 346.427 1.488 20 30 EDEDLO C#CCOc1ccccc1C[NH2+]Cc1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000368694213 447043144 /nfs/dbraw/zinc/04/31/44/447043144.db2.gz XJURZNVBSQVCGP-SJLPKXTDSA-N 1 2 342.399 1.166 20 30 EDEDLO Cc1cc(NC2CCN(S(=O)(=O)CC(C)C)CC2)c(C#N)c[nH+]1 ZINC000425245432 447077955 /nfs/dbraw/zinc/07/79/55/447077955.db2.gz JFAAAUSIHHKGMZ-UHFFFAOYSA-N 1 2 336.461 1.546 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CSCC#N)CC1 ZINC000444340489 447095529 /nfs/dbraw/zinc/09/55/29/447095529.db2.gz HVZHKHAVSLQCIT-UHFFFAOYSA-N 1 2 346.456 1.546 20 30 EDEDLO CCO[C@@H]1C[C@]([NH2+]CCC(=O)N(C)CCC#N)(C(=O)OC)C1(C)C ZINC000444748334 447136298 /nfs/dbraw/zinc/13/62/98/447136298.db2.gz PQBVAMGEBCMGMH-DYVFJYSZSA-N 1 2 339.436 1.085 20 30 EDEDLO CCc1nc([C@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1 ZINC000377491559 447161191 /nfs/dbraw/zinc/16/11/91/447161191.db2.gz FANMRDIGKFYDNN-SJCJKPOMSA-N 1 2 331.420 1.620 20 30 EDEDLO CCc1nc([C@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1 ZINC000377491559 447161198 /nfs/dbraw/zinc/16/11/98/447161198.db2.gz FANMRDIGKFYDNN-SJCJKPOMSA-N 1 2 331.420 1.620 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCC ZINC000425547034 447223915 /nfs/dbraw/zinc/22/39/15/447223915.db2.gz WXLPJMXBHLQSFF-GOSISDBHSA-N 1 2 341.455 1.750 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCC ZINC000425547034 447223922 /nfs/dbraw/zinc/22/39/22/447223922.db2.gz WXLPJMXBHLQSFF-GOSISDBHSA-N 1 2 341.455 1.750 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000413951769 447265140 /nfs/dbraw/zinc/26/51/40/447265140.db2.gz CGCDSEAMNWSCIR-KRWDZBQOSA-N 1 2 329.444 1.986 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(C(=O)N2CCCC2)cc1 ZINC000414136713 447275682 /nfs/dbraw/zinc/27/56/82/447275682.db2.gz DOFATTJKVMXJOA-INIZCTEOSA-N 1 2 331.416 1.508 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C(=O)N2CCCC2)cc1 ZINC000414136713 447275688 /nfs/dbraw/zinc/27/56/88/447275688.db2.gz DOFATTJKVMXJOA-INIZCTEOSA-N 1 2 331.416 1.508 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1Cl ZINC000427036977 447533051 /nfs/dbraw/zinc/53/30/51/447533051.db2.gz SUPQSAPYXWRHBY-GFCCVEGCSA-N 1 2 343.774 1.478 20 30 EDEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@@H]1C ZINC000408314831 447649263 /nfs/dbraw/zinc/64/92/63/447649263.db2.gz CXPHGJGCRUIPGQ-GJZGRUSLSA-N 1 2 343.493 1.177 20 30 EDEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@@H]1C ZINC000408314831 447649270 /nfs/dbraw/zinc/64/92/70/447649270.db2.gz CXPHGJGCRUIPGQ-GJZGRUSLSA-N 1 2 343.493 1.177 20 30 EDEDLO COC(=O)c1cccc2c1CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2 ZINC000459533746 447698040 /nfs/dbraw/zinc/69/80/40/447698040.db2.gz HARHDSSSMXABRO-ZDUSSCGKSA-N 1 2 329.400 1.592 20 30 EDEDLO COC(=O)c1cccc2c1CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2 ZINC000459533746 447698043 /nfs/dbraw/zinc/69/80/43/447698043.db2.gz HARHDSSSMXABRO-ZDUSSCGKSA-N 1 2 329.400 1.592 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000408350252 447654206 /nfs/dbraw/zinc/65/42/06/447654206.db2.gz YOEWDLGZPWXHOY-XYVMCAHJSA-N 1 2 337.464 1.699 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000408350252 447654208 /nfs/dbraw/zinc/65/42/08/447654208.db2.gz YOEWDLGZPWXHOY-XYVMCAHJSA-N 1 2 337.464 1.699 20 30 EDEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428002320 447672611 /nfs/dbraw/zinc/67/26/11/447672611.db2.gz WRTWHQJROVTOIT-PXAZEXFGSA-N 1 2 332.404 1.576 20 30 EDEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000459464417 447675742 /nfs/dbraw/zinc/67/57/42/447675742.db2.gz MGBYFHVIHXLHRT-QMTHXVAHSA-N 1 2 336.342 1.301 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000417197881 447737305 /nfs/dbraw/zinc/73/73/05/447737305.db2.gz VKGXKKBIHRLAOM-UHFFFAOYSA-N 1 2 337.811 1.839 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451797192 447754067 /nfs/dbraw/zinc/75/40/67/447754067.db2.gz OQWLTGSYVLCKFA-ZDUSSCGKSA-N 1 2 331.407 1.647 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451797192 447754070 /nfs/dbraw/zinc/75/40/70/447754070.db2.gz OQWLTGSYVLCKFA-ZDUSSCGKSA-N 1 2 331.407 1.647 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496653379 447841498 /nfs/dbraw/zinc/84/14/98/447841498.db2.gz CASAHYWWPXNVKK-ZIAGYGMSSA-N 1 2 349.435 1.975 20 30 EDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497103425 447856752 /nfs/dbraw/zinc/85/67/52/447856752.db2.gz VOEKAVKAUMPPJU-IGCXYCKISA-N 1 2 336.436 1.203 20 30 EDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497103425 447856756 /nfs/dbraw/zinc/85/67/56/447856756.db2.gz VOEKAVKAUMPPJU-IGCXYCKISA-N 1 2 336.436 1.203 20 30 EDEDLO C=CCCCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000550572861 447894684 /nfs/dbraw/zinc/89/46/84/447894684.db2.gz GXIWBRGFWAVPCE-HNNXBMFYSA-N 1 2 326.400 1.708 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000490872473 447902451 /nfs/dbraw/zinc/90/24/51/447902451.db2.gz FQVPMIVGPFYTFZ-MRXNPFEDSA-N 1 2 335.425 1.486 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000490872473 447902458 /nfs/dbraw/zinc/90/24/58/447902458.db2.gz FQVPMIVGPFYTFZ-MRXNPFEDSA-N 1 2 335.425 1.486 20 30 EDEDLO N#CCCCOc1cccnc1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000524233597 447920211 /nfs/dbraw/zinc/92/02/11/447920211.db2.gz LDZOIYBFXYYHEA-UHFFFAOYSA-N 1 2 349.354 1.992 20 30 EDEDLO C#CCNc1nc(N2CCC(F)(F)C2)nc(N2CCC(F)(F)C2)[nH+]1 ZINC000491097034 447920686 /nfs/dbraw/zinc/92/06/86/447920686.db2.gz YRZPJGOXRRKDOH-UHFFFAOYSA-N 1 2 344.316 1.029 20 30 EDEDLO C#CCNc1nc(N2CCC(F)(F)C2)[nH+]c(N2CCC(F)(F)C2)n1 ZINC000491097034 447920695 /nfs/dbraw/zinc/92/06/95/447920695.db2.gz YRZPJGOXRRKDOH-UHFFFAOYSA-N 1 2 344.316 1.029 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[NH+](CCCNc2ncncc2C#N)CC1 ZINC000497278863 448032331 /nfs/dbraw/zinc/03/23/31/448032331.db2.gz CZSKFJBUXHQZPT-UHFFFAOYSA-N 1 2 346.435 1.125 20 30 EDEDLO C[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)NC1(C#N)CCC1 ZINC000526053498 448087933 /nfs/dbraw/zinc/08/79/33/448087933.db2.gz JVMSQMZVFOJZJD-KBPBESRZSA-N 1 2 338.415 1.869 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000491736516 448093039 /nfs/dbraw/zinc/09/30/39/448093039.db2.gz NKILZKOGDRJBNR-HJOIGYKYSA-N 1 2 337.464 1.357 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000571006989 448094548 /nfs/dbraw/zinc/09/45/48/448094548.db2.gz SRFWGDKVLSHFTK-AWEZNQCLSA-N 1 2 341.367 1.866 20 30 EDEDLO CS(=O)(=O)C1(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CCCC1 ZINC000507259465 448137644 /nfs/dbraw/zinc/13/76/44/448137644.db2.gz AQDGOSIIVYPYSY-CQSZACIVSA-N 1 2 335.429 1.032 20 30 EDEDLO CCOC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)nc1 ZINC000591020226 448234682 /nfs/dbraw/zinc/23/46/82/448234682.db2.gz XFLPIEWYRULGKT-KRWDZBQOSA-N 1 2 330.432 1.924 20 30 EDEDLO COc1cc(C[NH+]2CCN(C(=O)CC#N)CC2)ccc1OC(F)F ZINC000565165281 448357646 /nfs/dbraw/zinc/35/76/46/448357646.db2.gz QWNYGUKULMJXMO-UHFFFAOYSA-N 1 2 339.342 1.854 20 30 EDEDLO C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000566017776 448387669 /nfs/dbraw/zinc/38/76/69/448387669.db2.gz KUZKHHFDOLOEQV-OAHLLOKOSA-N 1 2 340.427 1.018 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)C1 ZINC000591556131 448389986 /nfs/dbraw/zinc/38/99/86/448389986.db2.gz DRZWSMFWZHMKBP-OAHLLOKOSA-N 1 2 328.416 1.345 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)C1 ZINC000591556131 448389991 /nfs/dbraw/zinc/38/99/91/448389991.db2.gz DRZWSMFWZHMKBP-OAHLLOKOSA-N 1 2 328.416 1.345 20 30 EDEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)cnc12 ZINC000583084300 448420895 /nfs/dbraw/zinc/42/08/95/448420895.db2.gz KWPXUCNBUCULQI-UHFFFAOYSA-N 1 2 344.382 1.190 20 30 EDEDLO CC1(C)C[C@]1(C#N)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000583236132 448428670 /nfs/dbraw/zinc/42/86/70/448428670.db2.gz PCONXGRPRSUTFD-MRXNPFEDSA-N 1 2 330.413 1.902 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(COC2CCOCC2)c1 ZINC000584294763 448477860 /nfs/dbraw/zinc/47/78/60/448477860.db2.gz FPZSBRKJSVDFRR-LJQANCHMSA-N 1 2 345.443 1.956 20 30 EDEDLO CC(C)OCCN1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528399180 448512786 /nfs/dbraw/zinc/51/27/86/448512786.db2.gz XUKWHFLZZDLSFM-SFHVURJKSA-N 1 2 347.459 1.341 20 30 EDEDLO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c2nccn21 ZINC000578523106 448569975 /nfs/dbraw/zinc/56/99/75/448569975.db2.gz LSBQSLHKZCNRBM-SWLSCSKDSA-N 1 2 330.413 1.824 20 30 EDEDLO N#CC[C@]1(O)CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000591916519 448573591 /nfs/dbraw/zinc/57/35/91/448573591.db2.gz LXXGXWHYSUATTF-KRWDZBQOSA-N 1 2 329.404 1.110 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000578596919 448586304 /nfs/dbraw/zinc/58/63/04/448586304.db2.gz XYUNISUTSSXXMN-ZDUSSCGKSA-N 1 2 330.388 1.264 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000567227835 448642993 /nfs/dbraw/zinc/64/29/93/448642993.db2.gz LERMNCWVJZQJMK-ILXRZTDVSA-N 1 2 333.436 1.532 20 30 EDEDLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149647 448709774 /nfs/dbraw/zinc/70/97/74/448709774.db2.gz SWODZHZHJIPKTL-IBGZPJMESA-N 1 2 342.443 1.884 20 30 EDEDLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149647 448709778 /nfs/dbraw/zinc/70/97/78/448709778.db2.gz SWODZHZHJIPKTL-IBGZPJMESA-N 1 2 342.443 1.884 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000567664133 448729323 /nfs/dbraw/zinc/72/93/23/448729323.db2.gz BKYBWSCDVDBGQA-SFHVURJKSA-N 1 2 325.416 1.765 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)C2(C#N)CCCC2)C1=O ZINC000543087756 448736873 /nfs/dbraw/zinc/73/68/73/448736873.db2.gz UHEMSFDCTGDTQK-CYBMUJFWSA-N 1 2 329.404 1.111 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587056222 448833452 /nfs/dbraw/zinc/83/34/52/448833452.db2.gz FJGKBTUSJOKNLA-OAHLLOKOSA-N 1 2 340.431 1.674 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000519759448 448837669 /nfs/dbraw/zinc/83/76/69/448837669.db2.gz PINAGRITIVMTTC-INIZCTEOSA-N 1 2 342.359 1.354 20 30 EDEDLO C[C@H](NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1 ZINC000587704551 448842014 /nfs/dbraw/zinc/84/20/14/448842014.db2.gz OYRUXWDCQYOCMT-ZDUSSCGKSA-N 1 2 326.400 1.042 20 30 EDEDLO C[C@@H](NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000587700397 448842376 /nfs/dbraw/zinc/84/23/76/448842376.db2.gz DBXHYOSYAKSHAF-DOMZBBRYSA-N 1 2 337.383 1.063 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000546709809 448843984 /nfs/dbraw/zinc/84/39/84/448843984.db2.gz SWXOFLFBVNWNEO-UHFFFAOYSA-N 1 2 339.355 1.129 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000587872839 448846825 /nfs/dbraw/zinc/84/68/25/448846825.db2.gz HZKMGXCSGZGVOR-CQSZACIVSA-N 1 2 327.432 1.523 20 30 EDEDLO CC(C)n1ccnc1C[N@@H+]1CCCN(c2nccc(C#N)n2)CC1 ZINC000520726728 448925133 /nfs/dbraw/zinc/92/51/33/448925133.db2.gz MGVQKQNJSNGXEI-UHFFFAOYSA-N 1 2 325.420 1.838 20 30 EDEDLO CC(C)n1ccnc1C[N@H+]1CCCN(c2nccc(C#N)n2)CC1 ZINC000520726728 448925138 /nfs/dbraw/zinc/92/51/38/448925138.db2.gz MGVQKQNJSNGXEI-UHFFFAOYSA-N 1 2 325.420 1.838 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Nc2ncccn2)cc1 ZINC000580306348 448943901 /nfs/dbraw/zinc/94/39/01/448943901.db2.gz LYNKRNBEBNKNJW-INIZCTEOSA-N 1 2 326.404 1.838 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Nc2ncccn2)cc1 ZINC000580306348 448943912 /nfs/dbraw/zinc/94/39/12/448943912.db2.gz LYNKRNBEBNKNJW-INIZCTEOSA-N 1 2 326.404 1.838 20 30 EDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@](O)(CC#N)C1 ZINC000592854884 449021223 /nfs/dbraw/zinc/02/12/23/449021223.db2.gz ZSIZUBKTEMYVIT-MRXNPFEDSA-N 1 2 334.326 1.500 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCN1Cc1ccccc1 ZINC000569579223 449049759 /nfs/dbraw/zinc/04/97/59/449049759.db2.gz GXMJYZIWYVENNH-PKOBYXMFSA-N 1 2 349.438 1.682 20 30 EDEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@H](CNC(=O)NC)C2)c1O ZINC000530105856 449051528 /nfs/dbraw/zinc/05/15/28/449051528.db2.gz VFDPXORLZNUOFW-MRXNPFEDSA-N 1 2 349.431 1.259 20 30 EDEDLO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@H](CNC(=O)NC)C2)c1O ZINC000530105856 449051532 /nfs/dbraw/zinc/05/15/32/449051532.db2.gz VFDPXORLZNUOFW-MRXNPFEDSA-N 1 2 349.431 1.259 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)CC(C)C ZINC000589835869 449065694 /nfs/dbraw/zinc/06/56/94/449065694.db2.gz QVCQLGGKUFREGJ-ZFWWWQNUSA-N 1 2 333.436 1.538 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)CC(C)C ZINC000589835869 449065699 /nfs/dbraw/zinc/06/56/99/449065699.db2.gz QVCQLGGKUFREGJ-ZFWWWQNUSA-N 1 2 333.436 1.538 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593093343 449130449 /nfs/dbraw/zinc/13/04/49/449130449.db2.gz DYVMMRIMVYFZRP-UAVUOLJFSA-N 1 2 345.468 1.755 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593093343 449130452 /nfs/dbraw/zinc/13/04/52/449130452.db2.gz DYVMMRIMVYFZRP-UAVUOLJFSA-N 1 2 345.468 1.755 20 30 EDEDLO CCn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC ZINC000593604070 449102026 /nfs/dbraw/zinc/10/20/26/449102026.db2.gz ZSTFURWYSLREPH-UHFFFAOYSA-N 1 2 348.384 1.040 20 30 EDEDLO CCc1csc(-n2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn2)n1 ZINC000593154867 449154099 /nfs/dbraw/zinc/15/40/99/449154099.db2.gz NHEIQJMMCPHMCZ-OAHLLOKOSA-N 1 2 332.433 1.465 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000593172284 449158064 /nfs/dbraw/zinc/15/80/64/449158064.db2.gz PEVWYEVKXWPLDJ-UHFFFAOYSA-N 1 2 346.431 1.679 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](CC#N)C1 ZINC000597900076 449138238 /nfs/dbraw/zinc/13/82/38/449138238.db2.gz IJYKWPZMWGQSSV-ZBFHGGJFSA-N 1 2 345.447 1.635 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](CC#N)C1 ZINC000597900076 449138251 /nfs/dbraw/zinc/13/82/51/449138251.db2.gz IJYKWPZMWGQSSV-ZBFHGGJFSA-N 1 2 345.447 1.635 20 30 EDEDLO N#CCCN1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000611175776 449201552 /nfs/dbraw/zinc/20/15/52/449201552.db2.gz LXTGPDXOCVLRFL-UHFFFAOYSA-N 1 2 331.807 1.379 20 30 EDEDLO C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCN(CCC#N)CC1 ZINC000611175363 449201987 /nfs/dbraw/zinc/20/19/87/449201987.db2.gz FPVKKICQUJHWMH-HOTGVXAUSA-N 1 2 326.444 1.884 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCO[C@H]2CCCCO2)c1=O ZINC000590587867 449203345 /nfs/dbraw/zinc/20/33/45/449203345.db2.gz IABFJRGUURWZJY-KRWDZBQOSA-N 1 2 347.415 1.095 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)cc1 ZINC000611198177 449212527 /nfs/dbraw/zinc/21/25/27/449212527.db2.gz JVUVUWLREOXMAT-UHFFFAOYSA-N 1 2 346.394 1.788 20 30 EDEDLO CC[N@H+](CC(=O)N(C)C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000611204899 449214745 /nfs/dbraw/zinc/21/47/45/449214745.db2.gz GOGUVDJLPQXTIT-NSHDSACASA-N 1 2 336.823 1.949 20 30 EDEDLO CC[N@@H+](CC(=O)N(C)C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000611204899 449214748 /nfs/dbraw/zinc/21/47/48/449214748.db2.gz GOGUVDJLPQXTIT-NSHDSACASA-N 1 2 336.823 1.949 20 30 EDEDLO C=C(C)[C@@H](CO)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000611140334 449183920 /nfs/dbraw/zinc/18/39/20/449183920.db2.gz RNTQVRVRRBPGEG-CQSZACIVSA-N 1 2 328.372 1.865 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(CCC#N)CC2)cc(C(=O)OC)c1 ZINC000611236061 449230952 /nfs/dbraw/zinc/23/09/52/449230952.db2.gz VRFDLVYZNCSBTM-UHFFFAOYSA-N 1 2 345.399 1.291 20 30 EDEDLO N#Cc1c(F)cccc1C[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000602008955 449271738 /nfs/dbraw/zinc/27/17/38/449271738.db2.gz WKOQGQLZOYVOIT-UHFFFAOYSA-N 1 2 325.409 1.506 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCSC[C@@H]2C#N)cc1 ZINC000602133220 449370765 /nfs/dbraw/zinc/37/07/65/449370765.db2.gz PWQUEMYRTMPYSL-GOEBONIOSA-N 1 2 331.441 1.737 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCSC[C@@H]2C#N)cc1 ZINC000602133220 449370768 /nfs/dbraw/zinc/37/07/68/449370768.db2.gz PWQUEMYRTMPYSL-GOEBONIOSA-N 1 2 331.441 1.737 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N3CCN([C@H](C#N)C(C)C)CC3)ccn12 ZINC000594260195 449416879 /nfs/dbraw/zinc/41/68/79/449416879.db2.gz VHBQHSWWVZILBI-MRXNPFEDSA-N 1 2 325.416 1.949 20 30 EDEDLO CN(CC[NH+]1CCN(Cc2ccccc2)CC1)c1cc(C#N)cnn1 ZINC000596230158 449427874 /nfs/dbraw/zinc/42/78/74/449427874.db2.gz HUWMPGZMEYUGMM-UHFFFAOYSA-N 1 2 336.443 1.602 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598420830 449386618 /nfs/dbraw/zinc/38/66/18/449386618.db2.gz SJBGGYKWSXPJNF-PBHICJAKSA-N 1 2 331.420 1.245 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598420830 449386621 /nfs/dbraw/zinc/38/66/21/449386621.db2.gz SJBGGYKWSXPJNF-PBHICJAKSA-N 1 2 331.420 1.245 20 30 EDEDLO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594312860 449444033 /nfs/dbraw/zinc/44/40/33/449444033.db2.gz WUHFLBUVMDUSEG-MCIONIFRSA-N 1 2 344.415 1.111 20 30 EDEDLO C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594312860 449444038 /nfs/dbraw/zinc/44/40/38/449444038.db2.gz WUHFLBUVMDUSEG-MCIONIFRSA-N 1 2 344.415 1.111 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000596264956 449445233 /nfs/dbraw/zinc/44/52/33/449445233.db2.gz MUSUKGBIAZRJDN-CQSZACIVSA-N 1 2 330.432 1.813 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000596264956 449445241 /nfs/dbraw/zinc/44/52/41/449445241.db2.gz MUSUKGBIAZRJDN-CQSZACIVSA-N 1 2 330.432 1.813 20 30 EDEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000602370118 449545812 /nfs/dbraw/zinc/54/58/12/449545812.db2.gz KOLNKSMMIWQZBI-INIZCTEOSA-N 1 2 328.416 1.567 20 30 EDEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000602370118 449545816 /nfs/dbraw/zinc/54/58/16/449545816.db2.gz KOLNKSMMIWQZBI-INIZCTEOSA-N 1 2 328.416 1.567 20 30 EDEDLO Cc1cc(N2CC[NH+](Cc3cccc(C#N)n3)CC2)n2ncnc2n1 ZINC000602438040 449586158 /nfs/dbraw/zinc/58/61/58/449586158.db2.gz GIWHLGQPKFKXRX-UHFFFAOYSA-N 1 2 334.387 1.022 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000612162660 449593933 /nfs/dbraw/zinc/59/39/33/449593933.db2.gz LMBMVAXDZKDEBJ-RKVPGOIHSA-N 1 2 335.448 1.802 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000612162660 449593939 /nfs/dbraw/zinc/59/39/39/449593939.db2.gz LMBMVAXDZKDEBJ-RKVPGOIHSA-N 1 2 335.448 1.802 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC000598837368 449615323 /nfs/dbraw/zinc/61/53/23/449615323.db2.gz VSJNNAGRBSXVJC-SCLBCKFNSA-N 1 2 346.406 1.529 20 30 EDEDLO CS(=O)(=O)C1(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CCCCC1 ZINC000594728517 449652233 /nfs/dbraw/zinc/65/22/33/449652233.db2.gz OZHDHRKSFGFOHN-HNNXBMFYSA-N 1 2 349.456 1.422 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596838051 449677032 /nfs/dbraw/zinc/67/70/32/449677032.db2.gz ITXAHGQJHNWONM-QWHCGFSZSA-N 1 2 332.404 1.798 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000596838051 449677036 /nfs/dbraw/zinc/67/70/36/449677036.db2.gz ITXAHGQJHNWONM-QWHCGFSZSA-N 1 2 332.404 1.798 20 30 EDEDLO COCC1(C2CCC2)C[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000594715787 449643544 /nfs/dbraw/zinc/64/35/44/449643544.db2.gz CTCYTBWOYBUQRK-UHFFFAOYSA-N 1 2 349.456 1.475 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)CC2)nc1 ZINC000596887912 449705707 /nfs/dbraw/zinc/70/57/07/449705707.db2.gz QJOIWXYOXBNPPI-AWEZNQCLSA-N 1 2 336.399 1.130 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)CC2)nc1 ZINC000596887912 449705715 /nfs/dbraw/zinc/70/57/15/449705715.db2.gz QJOIWXYOXBNPPI-AWEZNQCLSA-N 1 2 336.399 1.130 20 30 EDEDLO N#CC1(C[C@H](O)C[NH+]2CCN(C(=O)c3ccco3)CC2)CCOCC1 ZINC000599253796 449835143 /nfs/dbraw/zinc/83/51/43/449835143.db2.gz RCTAKKJSCDPCSM-HNNXBMFYSA-N 1 2 347.415 1.109 20 30 EDEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000599193576 449790095 /nfs/dbraw/zinc/79/00/95/449790095.db2.gz CXOGVARHIGFDIZ-KRWDZBQOSA-N 1 2 330.432 1.810 20 30 EDEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000599193576 449790097 /nfs/dbraw/zinc/79/00/97/449790097.db2.gz CXOGVARHIGFDIZ-KRWDZBQOSA-N 1 2 330.432 1.810 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[NH+](CC(C)C)CC1 ZINC000601289799 449801025 /nfs/dbraw/zinc/80/10/25/449801025.db2.gz SYEBPOFSXXFAHB-UHFFFAOYSA-N 1 2 339.436 1.968 20 30 EDEDLO C[C@@H]1C[NH+]([C@@H]2CCN(c3ccccc3F)C2=O)C[C@@H](C)N1CC#N ZINC000602855512 449862919 /nfs/dbraw/zinc/86/29/19/449862919.db2.gz HREBEQDONUTYTE-CKEIUWERSA-N 1 2 330.407 1.849 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3nc[nH]n3)CC2)c(OC(F)F)c1 ZINC000602871458 449879575 /nfs/dbraw/zinc/87/95/75/449879575.db2.gz RUKLLQACWYDZHA-UHFFFAOYSA-N 1 2 334.330 1.600 20 30 EDEDLO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000595124178 449883485 /nfs/dbraw/zinc/88/34/85/449883485.db2.gz IMOTYGSBKWCBJR-KRWDZBQOSA-N 1 2 346.456 1.154 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000614966859 449897311 /nfs/dbraw/zinc/89/73/11/449897311.db2.gz BTJDTDRVGDTNAQ-CQSZACIVSA-N 1 2 331.407 1.551 20 30 EDEDLO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)cn1 ZINC000602941345 449943631 /nfs/dbraw/zinc/94/36/31/449943631.db2.gz JNFXDQVKKIMWOG-MRXNPFEDSA-N 1 2 341.390 1.825 20 30 EDEDLO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)cn1 ZINC000602941345 449943636 /nfs/dbraw/zinc/94/36/36/449943636.db2.gz JNFXDQVKKIMWOG-MRXNPFEDSA-N 1 2 341.390 1.825 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC[S@](=O)C1 ZINC000617896753 449908416 /nfs/dbraw/zinc/90/84/16/449908416.db2.gz CXCXMGHSSGAGJU-SWHMAYCHSA-N 1 2 336.457 1.193 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC[S@](=O)C1 ZINC000617896753 449908420 /nfs/dbraw/zinc/90/84/20/449908420.db2.gz CXCXMGHSSGAGJU-SWHMAYCHSA-N 1 2 336.457 1.193 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc2ccccc2n1CC#N ZINC000609163576 449972074 /nfs/dbraw/zinc/97/20/74/449972074.db2.gz PIBPLUFHQQVZJU-CQSZACIVSA-N 1 2 326.400 1.615 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443050 449979526 /nfs/dbraw/zinc/97/95/26/449979526.db2.gz CCBQMXCDNIWZSD-CQSZACIVSA-N 1 2 331.416 1.889 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443050 449979531 /nfs/dbraw/zinc/97/95/31/449979531.db2.gz CCBQMXCDNIWZSD-CQSZACIVSA-N 1 2 331.416 1.889 20 30 EDEDLO C[C@](C#N)(NC(=O)C[NH+]1CCN(c2cccc(F)c2)CC1)C1CC1 ZINC000603017880 450011785 /nfs/dbraw/zinc/01/17/85/450011785.db2.gz YMPWXKPAALHZPW-GOSISDBHSA-N 1 2 330.407 1.756 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000609484931 450035730 /nfs/dbraw/zinc/03/57/30/450035730.db2.gz HBDUBJLNSRFPQK-IAGOWNOFSA-N 1 2 345.491 1.883 20 30 EDEDLO Cc1ccccc1CNC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609485656 450036235 /nfs/dbraw/zinc/03/62/35/450036235.db2.gz UQPAYBPXVRWNGA-GOSISDBHSA-N 1 2 328.460 1.777 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000609486709 450036437 /nfs/dbraw/zinc/03/64/37/450036437.db2.gz POBFOKIPPUGYON-YJBOKZPZSA-N 1 2 346.450 1.996 20 30 EDEDLO Cc1cn2c([nH+]1)CN(C(=O)Nc1cnn(-c3ncccc3C#N)c1)CC2 ZINC000613156945 450055485 /nfs/dbraw/zinc/05/54/85/450055485.db2.gz OSOQJFJBHGWQAS-UHFFFAOYSA-N 1 2 348.370 1.692 20 30 EDEDLO C[C@H]1CN(C(=O)C2CC[NH+](CC(F)F)CC2)C[C@H](C)N1CC#N ZINC000603094673 450062154 /nfs/dbraw/zinc/06/21/54/450062154.db2.gz XRGGXTVFPJUURI-STQMWFEESA-N 1 2 328.407 1.408 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cc(Cl)ccc2C#N)nn1 ZINC000603160903 450102776 /nfs/dbraw/zinc/10/27/76/450102776.db2.gz FSXNYMAOPVVAGA-UHFFFAOYSA-N 1 2 342.790 1.555 20 30 EDEDLO N#C[C@@]1(F)CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000615532245 450126738 /nfs/dbraw/zinc/12/67/38/450126738.db2.gz ZCXKMNLBRBNKKR-AEFFLSMTSA-N 1 2 346.406 1.707 20 30 EDEDLO N#Cc1cccnc1N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000610116425 450143265 /nfs/dbraw/zinc/14/32/65/450143265.db2.gz PVKKTNRQPUUUAV-UHFFFAOYSA-N 1 2 332.371 1.256 20 30 EDEDLO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])n1 ZINC000599683401 450150495 /nfs/dbraw/zinc/15/04/95/450150495.db2.gz TZRHEJMDWMWTMY-GXTWGEPZSA-N 1 2 329.316 1.778 20 30 EDEDLO N#Cc1ccc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)s1 ZINC000597621868 450151813 /nfs/dbraw/zinc/15/18/13/450151813.db2.gz OCTVLFLBZNQMKX-UHFFFAOYSA-N 1 2 331.401 1.919 20 30 EDEDLO CCN1CC[C@@H]([NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1=O ZINC000595432343 450139710 /nfs/dbraw/zinc/13/97/10/450139710.db2.gz ZVNARKWRAPGADB-SJORKVTESA-N 1 2 330.407 1.629 20 30 EDEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ncccc1OCCCC#N ZINC000599774025 450209544 /nfs/dbraw/zinc/20/95/44/450209544.db2.gz JYEMZKFDHPQDIO-ZDUSSCGKSA-N 1 2 333.392 1.216 20 30 EDEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ncccc1OCCCC#N ZINC000599774025 450209550 /nfs/dbraw/zinc/20/95/50/450209550.db2.gz JYEMZKFDHPQDIO-ZDUSSCGKSA-N 1 2 333.392 1.216 20 30 EDEDLO CC(C)(C#N)CC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000597680688 450191974 /nfs/dbraw/zinc/19/19/74/450191974.db2.gz ZSTDXCHKJOSQQZ-CQSZACIVSA-N 1 2 325.478 1.593 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000613583262 450234829 /nfs/dbraw/zinc/23/48/29/450234829.db2.gz QKLJPURXJZOKBR-QGZVFWFLSA-N 1 2 328.420 1.741 20 30 EDEDLO C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000613935498 450365100 /nfs/dbraw/zinc/36/51/00/450365100.db2.gz AOIREUHBIYSSFS-GXFFZTMASA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000613935498 450365108 /nfs/dbraw/zinc/36/51/08/450365108.db2.gz AOIREUHBIYSSFS-GXFFZTMASA-N 1 2 343.836 1.209 20 30 EDEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccnc(C#N)c2)CC1 ZINC000619427671 450471502 /nfs/dbraw/zinc/47/15/02/450471502.db2.gz PWUTWCPMCZTFIC-UHFFFAOYSA-N 1 2 349.394 1.593 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)nn1 ZINC000640802029 451595343 /nfs/dbraw/zinc/59/53/43/451595343.db2.gz BHMPDYYDLNFYRI-HUUCEWRRSA-N 1 2 337.427 1.930 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](C)c2ccc(CC)cc2)nn1 ZINC000640848307 451634531 /nfs/dbraw/zinc/63/45/31/451634531.db2.gz NXJLGAPEPJRZQC-HNNXBMFYSA-N 1 2 339.443 1.831 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cc(C)nn2C(C)(C)C)nn1 ZINC000641007584 451727916 /nfs/dbraw/zinc/72/79/16/451727916.db2.gz VPCDRTPKFDOKIS-UHFFFAOYSA-N 1 2 343.435 1.290 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(c3ccccc3OC)C2=O)nn1 ZINC000641111584 451753206 /nfs/dbraw/zinc/75/32/06/451753206.db2.gz DODBFGGVDBTHHU-INIZCTEOSA-N 1 2 339.399 1.378 20 30 EDEDLO CC#CCNCc1cn(Cc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000641181195 451771083 /nfs/dbraw/zinc/77/10/83/451771083.db2.gz SZRHADTUBCUQTD-UHFFFAOYSA-N 1 2 339.443 1.272 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2ccccc2Cl)nn1 ZINC000641205515 451780991 /nfs/dbraw/zinc/78/09/91/451780991.db2.gz KSMYSJZUVOPFII-CQSZACIVSA-N 1 2 334.807 1.484 20 30 EDEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637442493 451858519 /nfs/dbraw/zinc/85/85/19/451858519.db2.gz QTUDMVPOZHLEDJ-QGZVFWFLSA-N 1 2 349.479 1.882 20 30 EDEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637442493 451858527 /nfs/dbraw/zinc/85/85/27/451858527.db2.gz QTUDMVPOZHLEDJ-QGZVFWFLSA-N 1 2 349.479 1.882 20 30 EDEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000649254074 451933312 /nfs/dbraw/zinc/93/33/12/451933312.db2.gz MASHBLJBQJGWFN-INIZCTEOSA-N 1 2 334.416 1.399 20 30 EDEDLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000662077864 452825706 /nfs/dbraw/zinc/82/57/06/452825706.db2.gz ISYIOFAGRPHZCZ-QAPCUYQASA-N 1 2 332.400 1.873 20 30 EDEDLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000662077864 452825716 /nfs/dbraw/zinc/82/57/16/452825716.db2.gz ISYIOFAGRPHZCZ-QAPCUYQASA-N 1 2 332.400 1.873 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000660125001 453052214 /nfs/dbraw/zinc/05/22/14/453052214.db2.gz WMIWOJLIZPVIOK-KRWDZBQOSA-N 1 2 337.489 1.298 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000660125001 453052219 /nfs/dbraw/zinc/05/22/19/453052219.db2.gz WMIWOJLIZPVIOK-KRWDZBQOSA-N 1 2 337.489 1.298 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000660125001 453052227 /nfs/dbraw/zinc/05/22/27/453052227.db2.gz WMIWOJLIZPVIOK-KRWDZBQOSA-N 1 2 337.489 1.298 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000660125001 453052233 /nfs/dbraw/zinc/05/22/33/453052233.db2.gz WMIWOJLIZPVIOK-KRWDZBQOSA-N 1 2 337.489 1.298 20 30 EDEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000665309928 453644844 /nfs/dbraw/zinc/64/48/44/453644844.db2.gz CWIUQYHBNBVGTF-SFHVURJKSA-N 1 2 334.416 1.285 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2cccc(NC(=O)COC)c2)nn1 ZINC000657298099 453759766 /nfs/dbraw/zinc/75/97/66/453759766.db2.gz PFHHJMPOWSTVLG-UHFFFAOYSA-N 1 2 329.404 1.729 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000668055015 487080807 /nfs/dbraw/zinc/08/08/07/487080807.db2.gz OHIGJDKWRNVZDM-LBPRGKRZSA-N 1 2 346.353 1.875 20 30 EDEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000678049020 487234491 /nfs/dbraw/zinc/23/44/91/487234491.db2.gz AXZNLCGKULHENO-AEFFLSMTSA-N 1 2 332.444 1.844 20 30 EDEDLO C=CCOc1cccc(C[NH+]2CCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000678133742 487256196 /nfs/dbraw/zinc/25/61/96/487256196.db2.gz PWCKGIORBPRJSM-UHFFFAOYSA-N 1 2 339.461 1.175 20 30 EDEDLO C=CCOCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000679475916 487430067 /nfs/dbraw/zinc/43/00/67/487430067.db2.gz GXAGNTHHFNTMDD-AWEZNQCLSA-N 1 2 339.461 1.623 20 30 EDEDLO C=CCOCCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000679552823 487437760 /nfs/dbraw/zinc/43/77/60/487437760.db2.gz HUHJWOUKICGVLO-UHFFFAOYSA-N 1 2 346.431 1.398 20 30 EDEDLO C=CCn1c(Nc2c(C)n[nH]c2C)nnc1[C@@H]1C[N@@H+](C)C[C@H](C)O1 ZINC000669010746 485548776 /nfs/dbraw/zinc/54/87/76/485548776.db2.gz DACQKDCHJBORQF-GWCFXTLKSA-N 1 2 331.424 1.939 20 30 EDEDLO C=CCn1c(Nc2c(C)n[nH]c2C)nnc1[C@@H]1C[N@H+](C)C[C@H](C)O1 ZINC000669010746 485548780 /nfs/dbraw/zinc/54/87/80/485548780.db2.gz DACQKDCHJBORQF-GWCFXTLKSA-N 1 2 331.424 1.939 20 30 EDEDLO C=CCOC[C@H]1NC(=O)N(CCc2cn3cccc(C)c3[nH+]2)C1=O ZINC000672063644 486145001 /nfs/dbraw/zinc/14/50/01/486145001.db2.gz DSTXRIKMKYYAIA-CQSZACIVSA-N 1 2 328.372 1.308 20 30 EDEDLO C=C[C@@H](CC(=O)NCC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC000270215045 534514774 /nfs/dbraw/zinc/51/47/74/534514774.db2.gz GGCWOHZFSZGUMF-KRWDZBQOSA-N 1 2 329.444 1.627 20 30 EDEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000155039702 526308166 /nfs/dbraw/zinc/30/81/66/526308166.db2.gz JDWOTDQYDCRSGK-UHFFFAOYSA-N 1 2 337.401 1.315 20 30 EDEDLO C=CC[N@@H+](C[C@@H](O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108870524 526330749 /nfs/dbraw/zinc/33/07/49/526330749.db2.gz NFKYUPOVWLZOBP-HUUCEWRRSA-N 1 2 343.420 1.241 20 30 EDEDLO C=CC[N@H+](C[C@@H](O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108870524 526330755 /nfs/dbraw/zinc/33/07/55/526330755.db2.gz NFKYUPOVWLZOBP-HUUCEWRRSA-N 1 2 343.420 1.241 20 30 EDEDLO C=CC[N@@H+](Cc1cc(OCC)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000092361582 526332557 /nfs/dbraw/zinc/33/25/57/526332557.db2.gz KTUYWHBUAYARQS-CQSZACIVSA-N 1 2 325.430 1.966 20 30 EDEDLO C=CC[N@H+](Cc1cc(OCC)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000092361582 526332561 /nfs/dbraw/zinc/33/25/61/526332561.db2.gz KTUYWHBUAYARQS-CQSZACIVSA-N 1 2 325.430 1.966 20 30 EDEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)COC)CC2)cc1OC ZINC000128700453 526866902 /nfs/dbraw/zinc/86/69/02/526866902.db2.gz CKKDWFQKMXFGNZ-UHFFFAOYSA-N 1 2 334.416 1.551 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000159552301 527011634 /nfs/dbraw/zinc/01/16/34/527011634.db2.gz HELOSYZNIJNORA-UHFFFAOYSA-N 1 2 338.473 1.826 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)CC(C)(CO)CO ZINC000159552301 527011641 /nfs/dbraw/zinc/01/16/41/527011641.db2.gz HELOSYZNIJNORA-UHFFFAOYSA-N 1 2 338.473 1.826 20 30 EDEDLO C=CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000190157760 527014528 /nfs/dbraw/zinc/01/45/28/527014528.db2.gz YJTDMKVKJFVPPW-QZTJIDSGSA-N 1 2 332.444 1.498 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000101553449 527527451 /nfs/dbraw/zinc/52/74/51/527527451.db2.gz PVGUTAUBKGVDJF-HOTGVXAUSA-N 1 2 348.491 1.954 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000101553449 527527457 /nfs/dbraw/zinc/52/74/57/527527457.db2.gz PVGUTAUBKGVDJF-HOTGVXAUSA-N 1 2 348.491 1.954 20 30 EDEDLO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC(=O)Nc1sccc1C#N)CC2 ZINC000152758554 527854980 /nfs/dbraw/zinc/85/49/80/527854980.db2.gz BRWHEADXDVMEEU-ZIAGYGMSSA-N 1 2 349.456 1.810 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000332380845 536643804 /nfs/dbraw/zinc/64/38/04/536643804.db2.gz YSBWZNUMZCDISJ-OAHLLOKOSA-N 1 2 327.388 1.747 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(C)[C@@H](c2nc(C)no2)C1 ZINC000332380845 536643812 /nfs/dbraw/zinc/64/38/12/536643812.db2.gz YSBWZNUMZCDISJ-OAHLLOKOSA-N 1 2 327.388 1.747 20 30 EDEDLO N#Cc1ccccc1/C=C\C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000740738819 579383655 /nfs/dbraw/zinc/38/36/55/579383655.db2.gz OEWBKEVAHCNASG-WAYWQWQTSA-N 1 2 336.399 1.007 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)[C@@H]2CCNC2=O)cc1 ZINC000759434430 580005784 /nfs/dbraw/zinc/00/57/84/580005784.db2.gz AMMJELMPHVCILH-GDBMZVCRSA-N 1 2 328.416 1.451 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCNC2=O)cc1 ZINC000759434430 580005785 /nfs/dbraw/zinc/00/57/85/580005785.db2.gz AMMJELMPHVCILH-GDBMZVCRSA-N 1 2 328.416 1.451 20 30 EDEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726253643 578338152 /nfs/dbraw/zinc/33/81/52/578338152.db2.gz DYACJFASGSPSPG-HNNXBMFYSA-N 1 2 333.407 1.691 20 30 EDEDLO C#CCN(Cc1ccc(F)cc1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726253643 578338154 /nfs/dbraw/zinc/33/81/54/578338154.db2.gz DYACJFASGSPSPG-HNNXBMFYSA-N 1 2 333.407 1.691 20 30 EDEDLO N#CC1CC[NH+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000726589472 578350733 /nfs/dbraw/zinc/35/07/33/578350733.db2.gz OIFOUKBXCUZCJV-UHFFFAOYSA-N 1 2 343.343 1.556 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)/C=C\c3ccccc3C#N)CC2)cn1 ZINC000729974714 578604852 /nfs/dbraw/zinc/60/48/52/578604852.db2.gz NTKMBEAYAOSRKT-SREVYHEPSA-N 1 2 335.411 1.649 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000730015104 578606589 /nfs/dbraw/zinc/60/65/89/578606589.db2.gz RHCWROVIZTZWPR-AWEZNQCLSA-N 1 2 349.398 1.349 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000730015104 578606591 /nfs/dbraw/zinc/60/65/91/578606591.db2.gz RHCWROVIZTZWPR-AWEZNQCLSA-N 1 2 349.398 1.349 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(C)cc1Cl ZINC000730283670 578639685 /nfs/dbraw/zinc/63/96/85/578639685.db2.gz UFVJOAMXZPYVHL-HNNXBMFYSA-N 1 2 333.819 1.801 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(C)cc1Cl ZINC000730283670 578639686 /nfs/dbraw/zinc/63/96/86/578639686.db2.gz UFVJOAMXZPYVHL-HNNXBMFYSA-N 1 2 333.819 1.801 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)COc3cccc(C#N)c3)CC2)S1 ZINC000744606766 579517345 /nfs/dbraw/zinc/51/73/45/579517345.db2.gz ASNSHPPJZGKENZ-ZDUSSCGKSA-N 1 2 344.440 1.573 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000744698472 579520514 /nfs/dbraw/zinc/52/05/14/579520514.db2.gz MFBMNHFJDJIFCS-CABCVRRESA-N 1 2 348.447 1.859 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000744698472 579520517 /nfs/dbraw/zinc/52/05/17/579520517.db2.gz MFBMNHFJDJIFCS-CABCVRRESA-N 1 2 348.447 1.859 20 30 EDEDLO N#Cc1cc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccn1 ZINC000747068328 579625918 /nfs/dbraw/zinc/62/59/18/579625918.db2.gz GIFZXGRWSUAAOX-SFHVURJKSA-N 1 2 337.379 1.897 20 30 EDEDLO N#Cc1cc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccn1 ZINC000747068328 579625919 /nfs/dbraw/zinc/62/59/19/579625919.db2.gz GIFZXGRWSUAAOX-SFHVURJKSA-N 1 2 337.379 1.897 20 30 EDEDLO Fc1ccc(/C=C\C=NNC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000747739803 579656755 /nfs/dbraw/zinc/65/67/55/579656755.db2.gz CBEYJKHBRBNCDO-YZHSZULSSA-N 1 2 336.436 1.621 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(OC(F)(F)F)cc2)CC1 ZINC000749874374 579742737 /nfs/dbraw/zinc/74/27/37/579742737.db2.gz NZIXERJKMJXALU-UHFFFAOYSA-N 1 2 342.317 1.741 20 30 EDEDLO C=CCc1cc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc(OC)c1OC ZINC000750746342 579779564 /nfs/dbraw/zinc/77/95/64/579779564.db2.gz KJXJJICBUBVIEV-AWEZNQCLSA-N 1 2 348.443 1.883 20 30 EDEDLO C=CCc1cc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc(OC)c1OC ZINC000750746342 579779565 /nfs/dbraw/zinc/77/95/65/579779565.db2.gz KJXJJICBUBVIEV-AWEZNQCLSA-N 1 2 348.443 1.883 20 30 EDEDLO Oc1ccc2c(c1)CCCC2=NNC(=S)NCC[NH+]1CCOCC1 ZINC000750918467 579787071 /nfs/dbraw/zinc/78/70/71/579787071.db2.gz KTMMUEDCZFHSBQ-UHFFFAOYSA-N 1 2 348.472 1.229 20 30 EDEDLO CN1CCc2cc(C=[NH+]Nc3ccc(S(N)(=O)=O)cn3)ccc21 ZINC000752723964 579864436 /nfs/dbraw/zinc/86/44/36/579864436.db2.gz PNJUMMCLUKUYOW-UHFFFAOYSA-N 1 2 331.401 1.167 20 30 EDEDLO Cc1[nH+]c[nH]c1CN=Nc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000755636003 579931491 /nfs/dbraw/zinc/93/14/91/579931491.db2.gz KDGJEWUHTWRHQI-UHFFFAOYSA-N 1 2 334.405 1.344 20 30 EDEDLO C[C@H]1C[C@@H]1CN=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000758366421 579980918 /nfs/dbraw/zinc/98/09/18/579980918.db2.gz PTEDSUBDCMMEQL-QWHCGFSZSA-N 1 2 337.449 1.071 20 30 EDEDLO N#Cc1cccn(C[N@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)c1=O ZINC000758972467 579995601 /nfs/dbraw/zinc/99/56/01/579995601.db2.gz LNPNYGVBKVWCLW-OAHLLOKOSA-N 1 2 349.394 1.210 20 30 EDEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)c1=O ZINC000758972467 579995602 /nfs/dbraw/zinc/99/56/02/579995602.db2.gz LNPNYGVBKVWCLW-OAHLLOKOSA-N 1 2 349.394 1.210 20 30 EDEDLO COC(=O)c1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cn1C ZINC000761857847 580062688 /nfs/dbraw/zinc/06/26/88/580062688.db2.gz OTGCUQXNBPDECF-UHFFFAOYSA-N 1 2 325.332 1.233 20 30 EDEDLO NC(=NOCCCCCCO)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000762461709 580074787 /nfs/dbraw/zinc/07/47/87/580074787.db2.gz FWFSZDKQWPWAHD-UHFFFAOYSA-N 1 2 335.448 1.708 20 30 EDEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000763396692 580099410 /nfs/dbraw/zinc/09/94/10/580099410.db2.gz QRAHWZHXBSHLRD-KRWDZBQOSA-N 1 2 328.416 1.425 20 30 EDEDLO C#CCOc1ccc(CNc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000763471688 580100562 /nfs/dbraw/zinc/10/05/62/580100562.db2.gz GJPUTNNFCFACCV-UHFFFAOYSA-N 1 2 340.427 1.839 20 30 EDEDLO C[N@H+](CC(=O)OCC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCSC1 ZINC000767112771 580181849 /nfs/dbraw/zinc/18/18/49/580181849.db2.gz SQIHOAWVPXGVJH-OAHLLOKOSA-N 1 2 347.440 1.155 20 30 EDEDLO C[N@@H+](CC(=O)OCC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCSC1 ZINC000767112771 580181850 /nfs/dbraw/zinc/18/18/50/580181850.db2.gz SQIHOAWVPXGVJH-OAHLLOKOSA-N 1 2 347.440 1.155 20 30 EDEDLO C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc(C(=O)[O-])cn3)cc2)CC1 ZINC000771557262 580288868 /nfs/dbraw/zinc/28/88/68/580288868.db2.gz AAPNLCVQAQZPIP-UHFFFAOYSA-N 1 2 339.399 1.978 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCCO1 ZINC000773557922 580341250 /nfs/dbraw/zinc/34/12/50/580341250.db2.gz MHZSBOUZNNGLGG-IRXDYDNUSA-N 1 2 328.416 1.090 20 30 EDEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)[C@@H]1CCCO1 ZINC000773792318 580346341 /nfs/dbraw/zinc/34/63/41/580346341.db2.gz UDJOUQGYBBWXDM-CJNGLKHVSA-N 1 2 340.383 1.117 20 30 EDEDLO C[C@H]1CCOCC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000774645584 580368748 /nfs/dbraw/zinc/36/87/48/580368748.db2.gz AOPMLZQAUUVAAS-SCLBCKFNSA-N 1 2 342.399 1.394 20 30 EDEDLO C[C@H]1CCOCC[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000774645584 580368749 /nfs/dbraw/zinc/36/87/49/580368749.db2.gz AOPMLZQAUUVAAS-SCLBCKFNSA-N 1 2 342.399 1.394 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2c(OC)ccc(SC)c2OC)CC1 ZINC000775739558 580399159 /nfs/dbraw/zinc/39/91/59/580399159.db2.gz GJBWXCYYRYSDLG-UHFFFAOYSA-N 1 2 334.441 1.817 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000780091875 580512506 /nfs/dbraw/zinc/51/25/06/580512506.db2.gz KQIPZGZNZOKAFQ-GXTWGEPZSA-N 1 2 333.388 1.233 20 30 EDEDLO C[C@@H](ON=C(N)C[NH+]1CCSCC1)C(=O)Nc1cccc(C#N)c1 ZINC000780128029 580514362 /nfs/dbraw/zinc/51/43/62/580514362.db2.gz FIIPBIQSQIJSNB-GFCCVEGCSA-N 1 2 347.444 1.433 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781998834 580563188 /nfs/dbraw/zinc/56/31/88/580563188.db2.gz SAJAUHOWOQIBOE-UHFFFAOYSA-N 1 2 348.790 1.725 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781999937 580563343 /nfs/dbraw/zinc/56/33/43/580563343.db2.gz RNWJWSBNGRLRAP-GFCCVEGCSA-N 1 2 328.372 1.460 20 30 EDEDLO C#CCOCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000784175733 580614866 /nfs/dbraw/zinc/61/48/66/580614866.db2.gz WUQQBSFOMYMVRK-KRWDZBQOSA-N 1 2 331.416 1.009 20 30 EDEDLO C#CCOCCNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000784559438 580623901 /nfs/dbraw/zinc/62/39/01/580623901.db2.gz SIPOXXBLTMWVEC-UHFFFAOYSA-N 1 2 335.835 1.817 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(N2CCNC2=O)ccc1C ZINC000787695810 580702095 /nfs/dbraw/zinc/70/20/95/580702095.db2.gz XPYZCAFLNHQKTN-INIZCTEOSA-N 1 2 326.400 1.561 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(N2CCNC2=O)ccc1C ZINC000787695810 580702096 /nfs/dbraw/zinc/70/20/96/580702096.db2.gz XPYZCAFLNHQKTN-INIZCTEOSA-N 1 2 326.400 1.561 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](C[C@H](O)c3cccc(F)c3)CC2)c1C#N ZINC000788274114 580715554 /nfs/dbraw/zinc/71/55/54/580715554.db2.gz FFTBYXMDJBGOSX-KRWDZBQOSA-N 1 2 343.406 1.595 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccc2c(c1)CCCC2 ZINC000792892026 580830258 /nfs/dbraw/zinc/83/02/58/580830258.db2.gz ZJEOOIRPPRIELO-UHFFFAOYSA-N 1 2 346.500 1.696 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000798428220 580997129 /nfs/dbraw/zinc/99/71/29/580997129.db2.gz QFZRXZXJFHIIFB-SJORKVTESA-N 1 2 340.427 1.777 20 30 EDEDLO C#C[C@H](NC(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@H]1CCCO1 ZINC000798459825 580998195 /nfs/dbraw/zinc/99/81/95/580998195.db2.gz LZTIJHMCOCXYFL-DOTOQJQBSA-N 1 2 328.416 1.402 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cn2ncc3cc(C(=O)OC)ccc32)C1=O ZINC000799143960 581018702 /nfs/dbraw/zinc/01/87/02/581018702.db2.gz SANDJMKCRRVEEX-MRXNPFEDSA-N 1 2 342.399 1.499 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cn2ncc3cc(C(=O)OC)ccc32)C1=O ZINC000799143960 581018703 /nfs/dbraw/zinc/01/87/03/581018703.db2.gz SANDJMKCRRVEEX-MRXNPFEDSA-N 1 2 342.399 1.499 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](C[C@H](O)c3ccc(F)cn3)CC2)c1 ZINC000799295458 581024133 /nfs/dbraw/zinc/02/41/33/581024133.db2.gz MJPLXRJDLQVROJ-INIZCTEOSA-N 1 2 327.363 1.343 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1coc(C(C)C)n1 ZINC000799467909 581028651 /nfs/dbraw/zinc/02/86/51/581028651.db2.gz IZAQSDYGHIEFQC-UHFFFAOYSA-N 1 2 339.465 1.318 20 30 EDEDLO Cn1nccc1[C@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000800860373 581060168 /nfs/dbraw/zinc/06/01/68/581060168.db2.gz SEMQQAZRHZWPJB-HNNXBMFYSA-N 1 2 337.427 1.779 20 30 EDEDLO Cn1nccc1[C@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000800860373 581060169 /nfs/dbraw/zinc/06/01/69/581060169.db2.gz SEMQQAZRHZWPJB-HNNXBMFYSA-N 1 2 337.427 1.779 20 30 EDEDLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801922849 581088134 /nfs/dbraw/zinc/08/81/34/581088134.db2.gz QJVIAGPABXFGLH-DLBZAZTESA-N 1 2 345.443 1.835 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000801930741 581088444 /nfs/dbraw/zinc/08/84/44/581088444.db2.gz WNNNPMQAUDOTMH-MRXNPFEDSA-N 1 2 330.432 1.785 20 30 EDEDLO C#CCCCc1nnc(N(C)CC[NH+]2CCOCC2)n1CC(=C)C ZINC000909320009 590626670 /nfs/dbraw/zinc/62/66/70/590626670.db2.gz FCMAPNWKCSMIOP-UHFFFAOYSA-N 1 2 331.464 1.579 20 30 EDEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC000891883400 590669191 /nfs/dbraw/zinc/66/91/91/590669191.db2.gz BRPXZRSOJXAWIJ-UHFFFAOYSA-N 1 2 344.415 1.695 20 30 EDEDLO CN(C)C(=O)c1ccc(NC(=O)CO[NH+]=C(N)c2ccccc2)cc1 ZINC000014234876 590806596 /nfs/dbraw/zinc/80/65/96/590806596.db2.gz RSSFAQYTJNUXAU-UHFFFAOYSA-N 1 2 340.383 1.664 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(F)c(Br)c1 ZINC000890886726 590833719 /nfs/dbraw/zinc/83/37/19/590833719.db2.gz NOPTZHXHZRASJS-LBPRGKRZSA-N 1 2 329.173 1.557 20 30 EDEDLO Cn1nc2c(c1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CCC2 ZINC000893576345 590978689 /nfs/dbraw/zinc/97/86/89/590978689.db2.gz QFPTVSNFRXEWDG-SWLSCSKDSA-N 1 2 345.447 1.757 20 30 EDEDLO N#Cc1cc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)cs1 ZINC000891532977 591109821 /nfs/dbraw/zinc/10/98/21/591109821.db2.gz QEBYBELZPLQAKN-UHFFFAOYSA-N 1 2 332.473 1.750 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000891608126 591145657 /nfs/dbraw/zinc/14/56/57/591145657.db2.gz XUWMJRMFCDVBBF-MRXNPFEDSA-N 1 2 327.428 1.764 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000891608126 591145660 /nfs/dbraw/zinc/14/56/60/591145660.db2.gz XUWMJRMFCDVBBF-MRXNPFEDSA-N 1 2 327.428 1.764 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000891607653 591145958 /nfs/dbraw/zinc/14/59/58/591145958.db2.gz VWGIGIYJMLZQOJ-AWEZNQCLSA-N 1 2 333.819 1.801 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000891607653 591145961 /nfs/dbraw/zinc/14/59/61/591145961.db2.gz VWGIGIYJMLZQOJ-AWEZNQCLSA-N 1 2 333.819 1.801 20 30 EDEDLO N#Cc1csc(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000892732251 591152870 /nfs/dbraw/zinc/15/28/70/591152870.db2.gz WUWBJZXEKFKMER-UHFFFAOYSA-N 1 2 344.322 1.773 20 30 EDEDLO Cn1c[nH+]c(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 ZINC000898629987 591442905 /nfs/dbraw/zinc/44/29/05/591442905.db2.gz ZSANVYFNEOFGRE-KRWDZBQOSA-N 1 2 338.415 1.340 20 30 EDEDLO C[C@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896531299 591486871 /nfs/dbraw/zinc/48/68/71/591486871.db2.gz PDLWOBVNOPRCCM-YOEHRIQHSA-N 1 2 328.460 1.586 20 30 EDEDLO C[C@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896531299 591486872 /nfs/dbraw/zinc/48/68/72/591486872.db2.gz PDLWOBVNOPRCCM-YOEHRIQHSA-N 1 2 328.460 1.586 20 30 EDEDLO COCCN(CC#N)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000909562172 591669701 /nfs/dbraw/zinc/66/97/01/591669701.db2.gz JWJWVBPKXLTTQX-UHFFFAOYSA-N 1 2 327.388 1.607 20 30 EDEDLO C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CCc1c[nH+]cn1C ZINC000899499180 591830752 /nfs/dbraw/zinc/83/07/52/591830752.db2.gz ZHCFUGIVSICMEU-UHFFFAOYSA-N 1 2 347.400 1.474 20 30 EDEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1c(CO)[nH]cc(OC)c1=O ZINC000902075487 591908207 /nfs/dbraw/zinc/90/82/07/591908207.db2.gz BHKHRLVDGOIIBE-UHFFFAOYSA-N 1 2 330.359 1.650 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1c(CO)[nH]cc(OC)c1=O ZINC000902075487 591908210 /nfs/dbraw/zinc/90/82/10/591908210.db2.gz BHKHRLVDGOIIBE-UHFFFAOYSA-N 1 2 330.359 1.650 20 30 EDEDLO CC1(C)C(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)[C@H]1[C@@H]1CCCO1 ZINC000902607250 592024237 /nfs/dbraw/zinc/02/42/37/592024237.db2.gz HEOWGYPMFWNGIV-HOTGVXAUSA-N 1 2 348.443 1.698 20 30 EDEDLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N(O)Cc1ccc(F)cc1 ZINC000900680116 592092282 /nfs/dbraw/zinc/09/22/82/592092282.db2.gz YFMUJCQUYNXWEJ-CVEARBPZSA-N 1 2 338.379 1.423 20 30 EDEDLO C=C(Cl)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000900760639 592109362 /nfs/dbraw/zinc/10/93/62/592109362.db2.gz YIURABONCZCSFK-AWEZNQCLSA-N 1 2 338.839 1.886 20 30 EDEDLO C=C(Cl)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000900760639 592109364 /nfs/dbraw/zinc/10/93/64/592109364.db2.gz YIURABONCZCSFK-AWEZNQCLSA-N 1 2 338.839 1.886 20 30 EDEDLO Cn1cc[nH+]c1CNc1ccc(C(=O)N2CCOC[C@H]2C#N)cc1 ZINC000900849419 592147102 /nfs/dbraw/zinc/14/71/02/592147102.db2.gz YHKSIGQWLFZHGB-OAHLLOKOSA-N 1 2 325.372 1.397 20 30 EDEDLO Cc1cc(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)cc(C)c1C#N ZINC000906849562 592370198 /nfs/dbraw/zinc/37/01/98/592370198.db2.gz IWKPHBRSFYAEQX-UHFFFAOYSA-N 1 2 328.416 1.197 20 30 EDEDLO CN1C(=O)CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000905250143 592476778 /nfs/dbraw/zinc/47/67/78/592476778.db2.gz QBQQSNYVAFLHME-QGZVFWFLSA-N 1 2 340.427 1.213 20 30 EDEDLO CC(=NN[C@H]1CCCS(=O)(=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000905491629 592552625 /nfs/dbraw/zinc/55/26/25/592552625.db2.gz PYXZKSPEFHVMOK-HNNXBMFYSA-N 1 2 332.429 1.763 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C(CO)CO ZINC000909295257 592792808 /nfs/dbraw/zinc/79/28/08/592792808.db2.gz DAIJGQHFWJUXFJ-LBPRGKRZSA-N 1 2 347.415 1.790 20 30 EDEDLO C=CCCOCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C(CO)CO ZINC000909295637 592793019 /nfs/dbraw/zinc/79/30/19/592793019.db2.gz GGRYUHQRBBOHRH-UHFFFAOYSA-N 1 2 333.388 1.402 20 30 EDEDLO C=CCSCCNC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000906444347 592823114 /nfs/dbraw/zinc/82/31/14/592823114.db2.gz XEVLPSVBCPWBJP-LBPRGKRZSA-N 1 2 325.434 1.544 20 30 EDEDLO C=CCSCCNC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000906444347 592823118 /nfs/dbraw/zinc/82/31/18/592823118.db2.gz XEVLPSVBCPWBJP-LBPRGKRZSA-N 1 2 325.434 1.544 20 30 EDEDLO COCC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)ccc1OCC#N ZINC000735364303 592981656 /nfs/dbraw/zinc/98/16/56/592981656.db2.gz LQXAKEMKPMUZIT-UHFFFAOYSA-N 1 2 339.823 1.779 20 30 EDEDLO COCC[N@@H+](CC(=O)N(C)C)Cc1cc(Cl)ccc1OCC#N ZINC000735364303 592981658 /nfs/dbraw/zinc/98/16/58/592981658.db2.gz LQXAKEMKPMUZIT-UHFFFAOYSA-N 1 2 339.823 1.779 20 30 EDEDLO C=CC[C@@H](NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccncc1 ZINC000805811206 593146485 /nfs/dbraw/zinc/14/64/85/593146485.db2.gz NQVFRMLFMQWNOF-HUUCEWRRSA-N 1 2 339.399 1.143 20 30 EDEDLO N#CC1(COC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCOCC1 ZINC000805913131 593165615 /nfs/dbraw/zinc/16/56/15/593165615.db2.gz SDIASTWCPKSTDB-UHFFFAOYSA-N 1 2 344.411 1.996 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(C)c(C(=O)OCC)s1 ZINC000750122384 593322994 /nfs/dbraw/zinc/32/29/94/593322994.db2.gz ZPGOBZLACWUBNS-LBPRGKRZSA-N 1 2 335.429 1.342 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C)c(C(=O)OCC)s1 ZINC000750122384 593322995 /nfs/dbraw/zinc/32/29/95/593322995.db2.gz ZPGOBZLACWUBNS-LBPRGKRZSA-N 1 2 335.429 1.342 20 30 EDEDLO N#Cc1ccc(C(=O)COC(=O)CCCC[NH+]2CCOCC2)cc1 ZINC000803513799 593338458 /nfs/dbraw/zinc/33/84/58/593338458.db2.gz VICNBSYWOJPKAB-UHFFFAOYSA-N 1 2 330.384 1.787 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)C1 ZINC000867014298 593343319 /nfs/dbraw/zinc/34/33/19/593343319.db2.gz ATODWUQSVHSIDU-LBPRGKRZSA-N 1 2 334.376 1.609 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1nc(N)nc(Nc2ccc(F)cc2)n1)[C@H]1CCCO1 ZINC000839563356 593345222 /nfs/dbraw/zinc/34/52/22/593345222.db2.gz HWCHSLOSHSFLDB-ZIAGYGMSSA-N 1 2 342.378 1.607 20 30 EDEDLO CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810528284 593409918 /nfs/dbraw/zinc/40/99/18/593409918.db2.gz SIUVSLLSYMWLFA-GUYCJALGSA-N 1 2 341.427 1.451 20 30 EDEDLO CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810528284 593409919 /nfs/dbraw/zinc/40/99/19/593409919.db2.gz SIUVSLLSYMWLFA-GUYCJALGSA-N 1 2 341.427 1.451 20 30 EDEDLO C#CCCOc1ccc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1 ZINC000769481250 593444164 /nfs/dbraw/zinc/44/41/64/593444164.db2.gz TZQJXWAQYXFSQS-HSZRJFAPSA-N 1 2 334.485 1.585 20 30 EDEDLO C#CCC(CC#C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000806464410 593447371 /nfs/dbraw/zinc/44/73/71/593447371.db2.gz GENPKXZSBADJJK-IYBDPMFKSA-N 1 2 339.439 1.974 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C(=O)C3(CCC3)[C@@H]2[C@@H]2CCCO2)C1=O ZINC000811770702 593480692 /nfs/dbraw/zinc/48/06/92/593480692.db2.gz GCALBRIRCSUEIJ-JYJNAYRXSA-N 1 2 347.459 1.223 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C(=O)C3(CCC3)[C@@H]2[C@@H]2CCCO2)C1=O ZINC000811770702 593480693 /nfs/dbraw/zinc/48/06/93/593480693.db2.gz GCALBRIRCSUEIJ-JYJNAYRXSA-N 1 2 347.459 1.223 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N=NC3CC4(CC4)C3)cc2)CC1 ZINC000814834056 593604390 /nfs/dbraw/zinc/60/43/90/593604390.db2.gz OYIVZKFCQXIILI-UHFFFAOYSA-N 1 2 348.472 1.965 20 30 EDEDLO COC(=O)c1ccc(N[NH+]=Cc2cnc(N(C)C)nc2)c(OC)c1 ZINC000814888010 593606063 /nfs/dbraw/zinc/60/60/63/593606063.db2.gz VNWGCXSUBGETKE-UHFFFAOYSA-N 1 2 329.360 1.784 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N(C)CCC[NH2+]C)cc2[nH]c1=S ZINC000818015530 593657485 /nfs/dbraw/zinc/65/74/85/593657485.db2.gz ZJEOLSVDSKNHKP-UHFFFAOYSA-N 1 2 346.456 1.553 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCS3)n2CCOC)CC1 ZINC000818275571 593689451 /nfs/dbraw/zinc/68/94/51/593689451.db2.gz UEPKSKPRTVDWDC-AWEZNQCLSA-N 1 2 335.477 1.248 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000819411138 593753738 /nfs/dbraw/zinc/75/37/38/593753738.db2.gz KQMBSALWPUOMJU-WMZOPIPTSA-N 1 2 333.432 1.863 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000819411138 593753739 /nfs/dbraw/zinc/75/37/39/593753739.db2.gz KQMBSALWPUOMJU-WMZOPIPTSA-N 1 2 333.432 1.863 20 30 EDEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1 ZINC000820469413 593821040 /nfs/dbraw/zinc/82/10/40/593821040.db2.gz IXDYPUGTLRRVOE-BBWFWOEESA-N 1 2 331.391 1.662 20 30 EDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1 ZINC000820469413 593821041 /nfs/dbraw/zinc/82/10/41/593821041.db2.gz IXDYPUGTLRRVOE-BBWFWOEESA-N 1 2 331.391 1.662 20 30 EDEDLO C[C@@H](NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000823787145 593859234 /nfs/dbraw/zinc/85/92/34/593859234.db2.gz LPIKVGCIAOMECY-IUODEOHRSA-N 1 2 327.388 1.728 20 30 EDEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000823903842 593884086 /nfs/dbraw/zinc/88/40/86/593884086.db2.gz LXHJPPSJDUPPDQ-UHFFFAOYSA-N 1 2 333.417 1.291 20 30 EDEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000823903842 593884088 /nfs/dbraw/zinc/88/40/88/593884088.db2.gz LXHJPPSJDUPPDQ-UHFFFAOYSA-N 1 2 333.417 1.291 20 30 EDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824779577 594073303 /nfs/dbraw/zinc/07/33/03/594073303.db2.gz WFJHLTCYDGNZHZ-PBHICJAKSA-N 1 2 342.403 1.232 20 30 EDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824779577 594073304 /nfs/dbraw/zinc/07/33/04/594073304.db2.gz WFJHLTCYDGNZHZ-PBHICJAKSA-N 1 2 342.403 1.232 20 30 EDEDLO CC(C)(C)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1=O ZINC000822985915 594132263 /nfs/dbraw/zinc/13/22/63/594132263.db2.gz VSKFWRMQNSQTLW-INIZCTEOSA-N 1 2 327.432 1.475 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC000823305922 594182893 /nfs/dbraw/zinc/18/28/93/594182893.db2.gz QBVHYTWSHZEGQY-UHFFFAOYSA-N 1 2 344.415 1.820 20 30 EDEDLO C#CCN1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000823305647 594183021 /nfs/dbraw/zinc/18/30/21/594183021.db2.gz LSGUBMPVTGXZPL-UHFFFAOYSA-N 1 2 339.355 1.172 20 30 EDEDLO CC[C@H](C#N)Oc1cc(CNC(=O)Cc2[nH]cc[nH+]2)ccc1OC ZINC000827662442 594253205 /nfs/dbraw/zinc/25/32/05/594253205.db2.gz RVQJBLVLDGDUAK-CYBMUJFWSA-N 1 2 328.372 1.958 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(c3nc4c(cc3C#N)COCC4)CC2)S1 ZINC000827684036 594257907 /nfs/dbraw/zinc/25/79/07/594257907.db2.gz BYQKJVSYPPVDRI-GFCCVEGCSA-N 1 2 343.456 1.639 20 30 EDEDLO C[C@@H]1[C@H](C)[N@H+](CC(=O)NCCC#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000830189592 594351833 /nfs/dbraw/zinc/35/18/33/594351833.db2.gz KZRKVRPWRAIQLM-MELADBBJSA-N 1 2 338.452 1.734 20 30 EDEDLO C[C@@H]1[C@H](C)[N@@H+](CC(=O)NCCC#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000830189592 594351836 /nfs/dbraw/zinc/35/18/36/594351836.db2.gz KZRKVRPWRAIQLM-MELADBBJSA-N 1 2 338.452 1.734 20 30 EDEDLO C[N@H+](CCCO)C1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000830777107 594474810 /nfs/dbraw/zinc/47/48/10/594474810.db2.gz OKGZPXGQSSNKOV-KRWDZBQOSA-N 1 2 331.416 1.463 20 30 EDEDLO C[N@@H+](CCCO)C1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000830777107 594474812 /nfs/dbraw/zinc/47/48/12/594474812.db2.gz OKGZPXGQSSNKOV-KRWDZBQOSA-N 1 2 331.416 1.463 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000831690788 594693077 /nfs/dbraw/zinc/69/30/77/594693077.db2.gz CVMUIUZUADEZJV-OAHLLOKOSA-N 1 2 327.384 1.571 20 30 EDEDLO CC(NNc1ccc(S(=O)(=O)NC2CC2)c[nH+]1)=C1CC1(F)F ZINC000841618067 594929249 /nfs/dbraw/zinc/92/92/49/594929249.db2.gz OXAXMLAEPOOMCG-NSHDSACASA-N 1 2 330.360 1.965 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836430183 594962961 /nfs/dbraw/zinc/96/29/61/594962961.db2.gz QVIDTYWUGAAUGH-GASCZTMLSA-N 1 2 347.390 1.822 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836430183 594962962 /nfs/dbraw/zinc/96/29/62/594962962.db2.gz QVIDTYWUGAAUGH-GASCZTMLSA-N 1 2 347.390 1.822 20 30 EDEDLO C#Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)c1 ZINC000837107487 595037334 /nfs/dbraw/zinc/03/73/34/595037334.db2.gz OMZWFRKMFHKZHR-UHFFFAOYSA-N 1 2 335.407 1.825 20 30 EDEDLO N#Cc1c(=O)n(C[N@@H+]2CCO[C@@]3(CCSC3)C2)cc2c1CCCC2 ZINC000842618698 595144996 /nfs/dbraw/zinc/14/49/96/595144996.db2.gz CMLYDUYMDRLMRL-SFHVURJKSA-N 1 2 345.468 1.764 20 30 EDEDLO N#Cc1c(=O)n(C[N@H+]2CCO[C@@]3(CCSC3)C2)cc2c1CCCC2 ZINC000842618698 595144997 /nfs/dbraw/zinc/14/49/97/595144997.db2.gz CMLYDUYMDRLMRL-SFHVURJKSA-N 1 2 345.468 1.764 20 30 EDEDLO C#CC[C@@H]1CCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000842628430 595149589 /nfs/dbraw/zinc/14/95/89/595149589.db2.gz ZNHFWKREUMNDLR-GFCCVEGCSA-N 1 2 327.340 1.884 20 30 EDEDLO C#CC[C@@H]1CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000842628430 595149591 /nfs/dbraw/zinc/14/95/91/595149591.db2.gz ZNHFWKREUMNDLR-GFCCVEGCSA-N 1 2 327.340 1.884 20 30 EDEDLO C=CCn1cc(C(=O)NCc2ccc[nH+]c2N2CCCCC2)nn1 ZINC000843776948 595183190 /nfs/dbraw/zinc/18/31/90/595183190.db2.gz WTTREEDJTRHJAK-UHFFFAOYSA-N 1 2 326.404 1.779 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)CC2)cn1 ZINC000834732801 595200706 /nfs/dbraw/zinc/20/07/06/595200706.db2.gz PBSLDSVBEICNPY-ZDUSSCGKSA-N 1 2 336.399 1.130 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)CC2)cn1 ZINC000834732801 595200710 /nfs/dbraw/zinc/20/07/10/595200710.db2.gz PBSLDSVBEICNPY-ZDUSSCGKSA-N 1 2 336.399 1.130 20 30 EDEDLO O=S(=O)(c1ccccc1N[NH2+]C=C1CC1(F)F)N1CCOCC1 ZINC000834960488 595243534 /nfs/dbraw/zinc/24/35/34/595243534.db2.gz QZMFIGQAQAFJAR-LLVKDONJSA-N 1 2 345.371 1.760 20 30 EDEDLO C#CCO[C@@H](C)C(=O)OC[C@@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000835197917 595277808 /nfs/dbraw/zinc/27/78/08/595277808.db2.gz XEZJZKWBNCOVFX-KBPBESRZSA-N 1 2 325.405 1.374 20 30 EDEDLO C#CCO[C@@H](C)C(=O)OC[C@@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000835197917 595277812 /nfs/dbraw/zinc/27/78/12/595277812.db2.gz XEZJZKWBNCOVFX-KBPBESRZSA-N 1 2 325.405 1.374 20 30 EDEDLO C#CC[NH+]1CCN(CN2CC(c3ccc(Cl)cc3)=CC2=O)CC1 ZINC000844683096 595372154 /nfs/dbraw/zinc/37/21/54/595372154.db2.gz QLDZBJXLXDHRLG-UHFFFAOYSA-N 1 2 329.831 1.774 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)C1 ZINC000848493760 595395419 /nfs/dbraw/zinc/39/54/19/595395419.db2.gz QJJUXDHARAJGKG-HUUCEWRRSA-N 1 2 339.395 1.841 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)C1 ZINC000848493760 595395420 /nfs/dbraw/zinc/39/54/20/595395420.db2.gz QJJUXDHARAJGKG-HUUCEWRRSA-N 1 2 339.395 1.841 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)ccn12 ZINC000848780449 595446359 /nfs/dbraw/zinc/44/63/59/595446359.db2.gz RLQGEXMCRYPANP-KRWDZBQOSA-N 1 2 328.372 1.854 20 30 EDEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000845132114 595448399 /nfs/dbraw/zinc/44/83/99/595448399.db2.gz ZBVXSPFCOWCSRV-JKSUJKDBSA-N 1 2 339.399 1.445 20 30 EDEDLO COCCN(C)c1ccc(/C=C2/S/C(=N/C3CC3)NC2=O)c[nH+]1 ZINC000849251973 595497612 /nfs/dbraw/zinc/49/76/12/595497612.db2.gz NWHSCDLUKFHZLB-UKTHLTGXSA-N 1 2 332.429 1.887 20 30 EDEDLO N#CCC1(CS(=O)(=O)N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)CC1 ZINC000849389072 595518694 /nfs/dbraw/zinc/51/86/94/595518694.db2.gz CLYSOHCCAFDXEP-CYBMUJFWSA-N 1 2 338.433 1.179 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000112921084 595570345 /nfs/dbraw/zinc/57/03/45/595570345.db2.gz OFUIWCYNPMSEJB-UHFFFAOYSA-N 1 2 331.391 1.053 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CCn4c[nH+]cc43)C2)c(F)c1 ZINC000857978121 595674123 /nfs/dbraw/zinc/67/41/23/595674123.db2.gz KJDDQHMIXMAFPB-DZGCQCFKSA-N 1 2 339.374 1.981 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000849961049 595703688 /nfs/dbraw/zinc/70/36/88/595703688.db2.gz HQQQDXWDPLEHQF-OAHLLOKOSA-N 1 2 328.372 1.781 20 30 EDEDLO C#Cc1cccnc1N1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000853325282 595735975 /nfs/dbraw/zinc/73/59/75/595735975.db2.gz FKIAOFVKBFDDJL-LJQANCHMSA-N 1 2 346.434 1.990 20 30 EDEDLO CN(C)S(=O)(=O)c1ccccc1N=NCc1c[nH+]c2n1CCC2 ZINC000853349776 595740496 /nfs/dbraw/zinc/74/04/96/595740496.db2.gz HZLMZESTXRZUIM-UHFFFAOYSA-N 1 2 333.417 1.526 20 30 EDEDLO CN(C)S(=O)(=O)c1ccccc1NN=Cc1c[nH+]c2n1CCC2 ZINC000853349776 595740498 /nfs/dbraw/zinc/74/04/98/595740498.db2.gz HZLMZESTXRZUIM-UHFFFAOYSA-N 1 2 333.417 1.526 20 30 EDEDLO C=CCCn1cc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)nn1 ZINC000850134665 595749929 /nfs/dbraw/zinc/74/99/29/595749929.db2.gz FVJQATONVPVWMH-CYBMUJFWSA-N 1 2 344.341 1.127 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)c1=O)CCCC2 ZINC000853560742 595804191 /nfs/dbraw/zinc/80/41/91/595804191.db2.gz XZYHLCNEQRDBLZ-YOEHRIQHSA-N 1 2 340.427 1.157 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)c1=O)CCCC2 ZINC000853560742 595804195 /nfs/dbraw/zinc/80/41/95/595804195.db2.gz XZYHLCNEQRDBLZ-YOEHRIQHSA-N 1 2 340.427 1.157 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@@](C)(c2ccccc2)C1=O ZINC000853621116 595835251 /nfs/dbraw/zinc/83/52/51/595835251.db2.gz PWMTYIQZDZPKAH-IBGZPJMESA-N 1 2 328.412 1.632 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@@](C)(c2ccccc2)C1=O ZINC000853621116 595835253 /nfs/dbraw/zinc/83/52/53/595835253.db2.gz PWMTYIQZDZPKAH-IBGZPJMESA-N 1 2 328.412 1.632 20 30 EDEDLO C#CCCCC(=O)OCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000861021732 595866920 /nfs/dbraw/zinc/86/69/20/595866920.db2.gz AQBWZDQWXFXRSE-UHFFFAOYSA-N 1 2 328.412 1.791 20 30 EDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCCN(CCC(=O)OC)C1=O ZINC000851738253 595903375 /nfs/dbraw/zinc/90/33/75/595903375.db2.gz YOVQUFPEHMYGCJ-KRWDZBQOSA-N 1 2 346.402 1.815 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCCN(CCC(=O)OC)C1=O ZINC000851738253 595903376 /nfs/dbraw/zinc/90/33/76/595903376.db2.gz YOVQUFPEHMYGCJ-KRWDZBQOSA-N 1 2 346.402 1.815 20 30 EDEDLO C#CCCOC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000858982830 595939770 /nfs/dbraw/zinc/93/97/70/595939770.db2.gz PHUXGPORJBKRNI-UHFFFAOYSA-N 1 2 335.448 1.460 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000859043526 595960196 /nfs/dbraw/zinc/96/01/96/595960196.db2.gz JNTMRAUNNFXSNI-AWEZNQCLSA-N 1 2 333.436 1.658 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000852132547 596056100 /nfs/dbraw/zinc/05/61/00/596056100.db2.gz YETWRQUQPYGQDO-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c(C#N)c1C ZINC000852299874 596117575 /nfs/dbraw/zinc/11/75/75/596117575.db2.gz GFEZDNPMKDCIOQ-UHFFFAOYSA-N 1 2 328.372 1.576 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCC3=C(CCC(=O)N3)C2)c(C#N)c1C ZINC000852299874 596117576 /nfs/dbraw/zinc/11/75/76/596117576.db2.gz GFEZDNPMKDCIOQ-UHFFFAOYSA-N 1 2 328.372 1.576 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000852319449 596125484 /nfs/dbraw/zinc/12/54/84/596125484.db2.gz MZHPGGUUUCSUAN-INIZCTEOSA-N 1 2 328.412 1.677 20 30 EDEDLO C#CCNC(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000852319449 596125487 /nfs/dbraw/zinc/12/54/87/596125487.db2.gz MZHPGGUUUCSUAN-INIZCTEOSA-N 1 2 328.412 1.677 20 30 EDEDLO CC#CC[NH+]1CCC(n2nncc2I)CC1 ZINC000852532696 596191378 /nfs/dbraw/zinc/19/13/78/596191378.db2.gz OHLVNWFGCWOKIQ-UHFFFAOYSA-N 1 2 330.173 1.543 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(F)CCOCC3)CC2)cc1 ZINC000864536999 596256625 /nfs/dbraw/zinc/25/66/25/596256625.db2.gz AKKUDQFAKFAIPH-UHFFFAOYSA-N 1 2 331.391 1.721 20 30 EDEDLO COC(=O)CCN(CC#N)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000871340395 596535578 /nfs/dbraw/zinc/53/55/78/596535578.db2.gz DGEZZXMJFREFMG-UHFFFAOYSA-N 1 2 345.399 1.048 20 30 EDEDLO C[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000863336529 596554760 /nfs/dbraw/zinc/55/47/60/596554760.db2.gz SHIKVOXTFVCAAT-IBGZPJMESA-N 1 2 338.411 1.789 20 30 EDEDLO C[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000863336529 596554762 /nfs/dbraw/zinc/55/47/62/596554762.db2.gz SHIKVOXTFVCAAT-IBGZPJMESA-N 1 2 338.411 1.789 20 30 EDEDLO CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)Cc2ccc[nH+]c21 ZINC000867899078 596607790 /nfs/dbraw/zinc/60/77/90/596607790.db2.gz SDSPDXXIFFJZNI-UHFFFAOYSA-N 1 2 342.424 1.735 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1F ZINC000865843981 596701234 /nfs/dbraw/zinc/70/12/34/596701234.db2.gz XAGYRZGIPCEJBK-CYBMUJFWSA-N 1 2 334.351 1.907 20 30 EDEDLO C#CCOc1ccccc1C[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000865867029 596705034 /nfs/dbraw/zinc/70/50/34/596705034.db2.gz BVDBHYSVHOWBBJ-UHFFFAOYSA-N 1 2 325.368 1.557 20 30 EDEDLO C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C(=O)OCC ZINC000870027979 596716043 /nfs/dbraw/zinc/71/60/43/596716043.db2.gz BRLWZEIGJBCUHQ-DGCLKSJQSA-N 1 2 325.796 1.636 20 30 EDEDLO COc1cccc(C[NH+]2CCN(C(=O)c3cccc(C#N)n3)CC2)c1 ZINC000870158974 596780626 /nfs/dbraw/zinc/78/06/26/596780626.db2.gz NQBOJKKTWFRVGJ-UHFFFAOYSA-N 1 2 336.395 1.920 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317583 596879417 /nfs/dbraw/zinc/87/94/17/596879417.db2.gz XPTRCUORHPGUFS-KDOFPFPSSA-N 1 2 329.448 1.776 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317583 596879419 /nfs/dbraw/zinc/87/94/19/596879419.db2.gz XPTRCUORHPGUFS-KDOFPFPSSA-N 1 2 329.448 1.776 20 30 EDEDLO CC(CCc1cccnc1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000872329745 596881868 /nfs/dbraw/zinc/88/18/68/596881868.db2.gz XKZDLXTULXTWML-UHFFFAOYSA-N 1 2 335.477 1.186 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000875603440 596914331 /nfs/dbraw/zinc/91/43/31/596914331.db2.gz XBUHQNPDBGGJQX-LSDHHAIUSA-N 1 2 346.431 1.111 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000876763061 597328397 /nfs/dbraw/zinc/32/83/97/597328397.db2.gz LRCQSBLASJXFQW-NRFANRHFSA-N 1 2 326.853 1.103 20 30 EDEDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(C#N)cnc3Cl)C2)nn1 ZINC000877353184 597499079 /nfs/dbraw/zinc/49/90/79/597499079.db2.gz NCZVUXQYFFIOBV-GFCCVEGCSA-N 1 2 346.778 1.432 20 30 EDEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)nn1 ZINC000877353184 597499080 /nfs/dbraw/zinc/49/90/80/597499080.db2.gz NCZVUXQYFFIOBV-GFCCVEGCSA-N 1 2 346.778 1.432 20 30 EDEDLO C[N@@H+](Cc1cn(C[C@H]2CCOC2)nn1)C[C@@H](O)c1cccc(C#N)c1 ZINC000877609327 597541396 /nfs/dbraw/zinc/54/13/96/597541396.db2.gz KPOGXIBXXCIMDG-CRAIPNDOSA-N 1 2 341.415 1.352 20 30 EDEDLO C[N@H+](Cc1cn(C[C@H]2CCOC2)nn1)C[C@@H](O)c1cccc(C#N)c1 ZINC000877609327 597541397 /nfs/dbraw/zinc/54/13/97/597541397.db2.gz KPOGXIBXXCIMDG-CRAIPNDOSA-N 1 2 341.415 1.352 20 30 EDEDLO C#CCC[N@@H+](CCOC)Cc1cn(Cc2ccc(OC)cc2)nn1 ZINC000877641543 597543595 /nfs/dbraw/zinc/54/35/95/597543595.db2.gz XVXCZPIVFWPBSO-UHFFFAOYSA-N 1 2 328.416 1.807 20 30 EDEDLO C#CCC[N@H+](CCOC)Cc1cn(Cc2ccc(OC)cc2)nn1 ZINC000877641543 597543596 /nfs/dbraw/zinc/54/35/96/597543596.db2.gz XVXCZPIVFWPBSO-UHFFFAOYSA-N 1 2 328.416 1.807 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cc4c(cn3)OCCO4)CC2)cn1 ZINC000877645965 597544458 /nfs/dbraw/zinc/54/44/58/597544458.db2.gz YWICOSPIMHKCCG-UHFFFAOYSA-N 1 2 337.383 1.442 20 30 EDEDLO NC(=NOCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cn1 ZINC000883050249 597632128 /nfs/dbraw/zinc/63/21/28/597632128.db2.gz JREFLLOUIFKOTL-UHFFFAOYSA-N 1 2 344.390 1.890 20 30 EDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079422 597833980 /nfs/dbraw/zinc/83/39/80/597833980.db2.gz HPGWVBOGLGQBHH-OAHLLOKOSA-N 1 2 342.399 1.506 20 30 EDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880079422 597833983 /nfs/dbraw/zinc/83/39/83/597833983.db2.gz HPGWVBOGLGQBHH-OAHLLOKOSA-N 1 2 342.399 1.506 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000880089930 597838437 /nfs/dbraw/zinc/83/84/37/597838437.db2.gz DCNGBDWFCHWXLT-GFCCVEGCSA-N 1 2 347.415 1.635 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000880089930 597838438 /nfs/dbraw/zinc/83/84/38/597838438.db2.gz DCNGBDWFCHWXLT-GFCCVEGCSA-N 1 2 347.415 1.635 20 30 EDEDLO C#CCC1(O)CC[NH+](CC(=O)c2cc(C)n(CCOC)c2C)CC1 ZINC000880478840 597941314 /nfs/dbraw/zinc/94/13/14/597941314.db2.gz LDHVLNMLMXCKSC-UHFFFAOYSA-N 1 2 332.444 1.784 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCc2cc(OC)ccc2C1 ZINC000884125580 598002093 /nfs/dbraw/zinc/00/20/93/598002093.db2.gz BWNOHXIECYTEHO-INIZCTEOSA-N 1 2 332.400 1.417 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1c(F)cccc1N1CCCC1 ZINC000884208831 598030211 /nfs/dbraw/zinc/03/02/11/598030211.db2.gz KZBHNJBJWDGDBY-ZDUSSCGKSA-N 1 2 335.379 1.811 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000884219828 598032631 /nfs/dbraw/zinc/03/26/31/598032631.db2.gz YTRVQYQUMYOZNS-NSHDSACASA-N 1 2 337.445 1.427 20 30 EDEDLO C#CCC1(O)CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC000882771718 598052261 /nfs/dbraw/zinc/05/22/61/598052261.db2.gz PKCDWTPWXWDPCJ-UHFFFAOYSA-N 1 2 348.468 1.213 20 30 EDEDLO C#CCC1(O)CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC000882771718 598052264 /nfs/dbraw/zinc/05/22/64/598052264.db2.gz PKCDWTPWXWDPCJ-UHFFFAOYSA-N 1 2 348.468 1.213 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000884316101 598063392 /nfs/dbraw/zinc/06/33/92/598063392.db2.gz JPCHLSOKFBWTAD-HOTGVXAUSA-N 1 2 331.416 1.536 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2OC)[C@@H]1C ZINC000994295154 696722764 /nfs/dbraw/zinc/72/27/64/696722764.db2.gz KSNUVTRYQRPRSL-WCQYABFASA-N 1 2 326.828 1.764 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2OC)[C@@H]1C ZINC000994295154 696722767 /nfs/dbraw/zinc/72/27/67/696722767.db2.gz KSNUVTRYQRPRSL-WCQYABFASA-N 1 2 326.828 1.764 20 30 EDEDLO C=CCn1cc(C(=O)NC2C[NH+]([C@@H](C)c3cccc(C)c3)C2)nn1 ZINC001031069515 695460103 /nfs/dbraw/zinc/46/01/03/695460103.db2.gz RBBIKCDLSALXHG-AWEZNQCLSA-N 1 2 325.416 1.948 20 30 EDEDLO C=CCn1cc(C(=O)NC2C[NH+](Cc3cc(C)ccc3C)C2)nn1 ZINC001031070173 695461170 /nfs/dbraw/zinc/46/11/70/695461170.db2.gz RXRMDXHSDZVUMG-UHFFFAOYSA-N 1 2 325.416 1.695 20 30 EDEDLO CCn1nncc1C[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000993168283 695717138 /nfs/dbraw/zinc/71/71/38/695717138.db2.gz HUHPQUDIQVFTJD-DOMZBBRYSA-N 1 2 341.419 1.281 20 30 EDEDLO CCn1nncc1C[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000993168283 695717141 /nfs/dbraw/zinc/71/71/41/695717141.db2.gz HUHPQUDIQVFTJD-DOMZBBRYSA-N 1 2 341.419 1.281 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000993211574 695810365 /nfs/dbraw/zinc/81/03/65/695810365.db2.gz AXUBAQIYOBFGBY-KUHUBIRLSA-N 1 2 344.459 1.861 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)CC1 ZINC000939917828 700037116 /nfs/dbraw/zinc/03/71/16/700037116.db2.gz NBSKGKQNCFPKPW-GDBMZVCRSA-N 1 2 330.432 1.593 20 30 EDEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000939913462 700033634 /nfs/dbraw/zinc/03/36/34/700033634.db2.gz DFGHJKVXAYRWFY-OAHLLOKOSA-N 1 2 341.415 1.313 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H](OC)c3ccccc3)C2)nc1 ZINC001031278284 696105798 /nfs/dbraw/zinc/10/57/98/696105798.db2.gz JZLWOHUOEGHPJT-IBGZPJMESA-N 1 2 335.407 1.865 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn3c(n2)COCC3)[C@@H]1C ZINC000993514232 696224806 /nfs/dbraw/zinc/22/48/06/696224806.db2.gz ZGKSFVXYGPGLHH-STQMWFEESA-N 1 2 338.839 1.749 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn3c(n2)COCC3)[C@@H]1C ZINC000993514232 696224807 /nfs/dbraw/zinc/22/48/07/696224807.db2.gz ZGKSFVXYGPGLHH-STQMWFEESA-N 1 2 338.839 1.749 20 30 EDEDLO C[C@H](C#N)C(=O)N[C@@H](C)c1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001060634352 696494062 /nfs/dbraw/zinc/49/40/62/696494062.db2.gz UZZSPBOUZQDUBU-OLZOCXBDSA-N 1 2 339.399 1.605 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccn(C)n3)[C@@H]2C)nc1 ZINC000994252603 696649274 /nfs/dbraw/zinc/64/92/74/696649274.db2.gz MHCQFWKXDIUAHM-PBHICJAKSA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccn(C)n3)[C@@H]2C)nc1 ZINC000994252603 696649275 /nfs/dbraw/zinc/64/92/75/696649275.db2.gz MHCQFWKXDIUAHM-PBHICJAKSA-N 1 2 337.427 1.579 20 30 EDEDLO NC(=NOCCCCCCO)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181850347 700102726 /nfs/dbraw/zinc/10/27/26/700102726.db2.gz WQAXDXMYAKOPHD-KRWDZBQOSA-N 1 2 335.448 1.729 20 30 EDEDLO NC(=NOCCCCCCO)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181850347 700102729 /nfs/dbraw/zinc/10/27/29/700102729.db2.gz WQAXDXMYAKOPHD-KRWDZBQOSA-N 1 2 335.448 1.729 20 30 EDEDLO Cc1nc(CON=C(N)[C@H]2C[N@H+](Cc3ccccc3)CCO2)oc1C ZINC000181851559 700102913 /nfs/dbraw/zinc/10/29/13/700102913.db2.gz NKIXXLRIOVNKMR-MRXNPFEDSA-N 1 2 344.415 1.981 20 30 EDEDLO Cc1nc(CON=C(N)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)oc1C ZINC000181851559 700102914 /nfs/dbraw/zinc/10/29/14/700102914.db2.gz NKIXXLRIOVNKMR-MRXNPFEDSA-N 1 2 344.415 1.981 20 30 EDEDLO Cc1ncncc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031559181 697249141 /nfs/dbraw/zinc/24/91/41/697249141.db2.gz ACAUWPISRHGCTD-UHFFFAOYSA-N 1 2 327.413 1.580 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)n(C)n1 ZINC001031567902 697261152 /nfs/dbraw/zinc/26/11/52/697261152.db2.gz JBABHHPQSPCTDA-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031576318 697271641 /nfs/dbraw/zinc/27/16/41/697271641.db2.gz AFMVITKWTNLDJE-HUUCEWRRSA-N 1 2 345.374 1.054 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)cc1C#N ZINC000919604583 697304241 /nfs/dbraw/zinc/30/42/41/697304241.db2.gz YJXPVLJGHSWROS-OAHLLOKOSA-N 1 2 336.461 1.613 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)cc1C#N ZINC000919604583 697304244 /nfs/dbraw/zinc/30/42/44/697304244.db2.gz YJXPVLJGHSWROS-OAHLLOKOSA-N 1 2 336.461 1.613 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(F)cc2F)CC1 ZINC000921438964 697613590 /nfs/dbraw/zinc/61/35/90/697613590.db2.gz OASCMDOZYUNAKL-UHFFFAOYSA-N 1 2 328.384 1.649 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000994846233 698291791 /nfs/dbraw/zinc/29/17/91/698291791.db2.gz VMJFSBHAASQZDF-GOSISDBHSA-N 1 2 331.416 1.562 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@H](C)C1 ZINC000943738247 698806085 /nfs/dbraw/zinc/80/60/85/698806085.db2.gz MSKXZZBJFINPLA-ZYHUDNBSSA-N 1 2 339.237 1.825 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ncccn2)[C@H](C)C1 ZINC000943738247 698806088 /nfs/dbraw/zinc/80/60/88/698806088.db2.gz MSKXZZBJFINPLA-ZYHUDNBSSA-N 1 2 339.237 1.825 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)[nH]c4ccccc43)CC2)C1 ZINC000941479550 701552922 /nfs/dbraw/zinc/55/29/22/701552922.db2.gz INBSRHYYFNDFLY-UHFFFAOYSA-N 1 2 336.439 1.552 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC(C)(C)CO3)CC2)C1 ZINC000941492461 701557864 /nfs/dbraw/zinc/55/78/64/701557864.db2.gz XHQDSWRVLDWHDX-GOSISDBHSA-N 1 2 347.503 1.433 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4c(cn3)CCCC4)CC2)C1 ZINC000941479446 701558932 /nfs/dbraw/zinc/55/89/32/701558932.db2.gz DBXKGGIAUDLYRG-UHFFFAOYSA-N 1 2 338.455 1.036 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCN(C2C[NH+](Cc3cnc(C)s3)C2)CC1 ZINC000941516471 701567245 /nfs/dbraw/zinc/56/72/45/701567245.db2.gz ULJOOAUPMRIMBV-UHFFFAOYSA-N 1 2 348.516 1.992 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(CC)o3)C2)c1 ZINC000939107208 699174420 /nfs/dbraw/zinc/17/44/20/699174420.db2.gz JKCRFNSKXPNVDG-IUODEOHRSA-N 1 2 339.399 1.259 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc[nH]c3C(C)C)CC2)C1 ZINC000941528113 701571466 /nfs/dbraw/zinc/57/14/66/701571466.db2.gz LIONWLBNKIDSQH-UHFFFAOYSA-N 1 2 328.460 1.603 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)C3)CC2)C1 ZINC000941536702 701574432 /nfs/dbraw/zinc/57/44/32/701574432.db2.gz CIKXWUBSSWZDJO-KBPBESRZSA-N 1 2 343.393 1.427 20 30 EDEDLO C[C@@H]1COCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031958695 701579552 /nfs/dbraw/zinc/57/95/52/701579552.db2.gz YFMHVWWGRNWODL-CXAGYDPISA-N 1 2 345.418 1.918 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)c3cccnc3)CC2)C1 ZINC000941593767 701586676 /nfs/dbraw/zinc/58/66/76/701586676.db2.gz SPVKXWOJYKFFGL-KRWDZBQOSA-N 1 2 340.471 1.427 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCO[C@@H](C(C)C)C3)CC2)C1 ZINC000941632725 701600863 /nfs/dbraw/zinc/60/08/63/701600863.db2.gz PSNPMYWYLISACG-IEBWSBKVSA-N 1 2 347.503 1.289 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@]34CCc3ccccc34)CC2)C1 ZINC000941622261 701604481 /nfs/dbraw/zinc/60/44/81/701604481.db2.gz GEALKFIGJWPKFG-IRLDBZIGSA-N 1 2 349.478 1.352 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(CC(C)C)c[nH]3)CC2)C1 ZINC000941640977 701608387 /nfs/dbraw/zinc/60/83/87/701608387.db2.gz MGRYEQZTRLACGV-UHFFFAOYSA-N 1 2 328.460 1.288 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)n(C)c3C)CC2)C1 ZINC000941662047 701610992 /nfs/dbraw/zinc/61/09/92/701610992.db2.gz SPPSRCWDIVHHPM-UHFFFAOYSA-N 1 2 328.460 1.107 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC4CCC3CC4)CC2)C1 ZINC000941674733 701614508 /nfs/dbraw/zinc/61/45/08/701614508.db2.gz IUBLTQRKAJKSBP-FAFZWHIHSA-N 1 2 329.488 1.664 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3nc(C)c(C)s3)CC2)C1 ZINC000941668527 701622414 /nfs/dbraw/zinc/62/24/14/701622414.db2.gz MZXPCSOGSJZCPH-UHFFFAOYSA-N 1 2 332.473 1.225 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)C1 ZINC000945430409 700274986 /nfs/dbraw/zinc/27/49/86/700274986.db2.gz PDFFLDZQSHYPMX-HZPDHXFCSA-N 1 2 344.459 1.983 20 30 EDEDLO Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940687250 700829898 /nfs/dbraw/zinc/82/98/98/700829898.db2.gz SDZKIQGCXSZBPO-OAHLLOKOSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940687250 700829901 /nfs/dbraw/zinc/82/99/01/700829901.db2.gz SDZKIQGCXSZBPO-OAHLLOKOSA-N 1 2 342.403 1.608 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccn(CC(C)C)n3)CC2)C1 ZINC000941427390 701526138 /nfs/dbraw/zinc/52/61/38/701526138.db2.gz ZEDOQLQHUOXHKT-UHFFFAOYSA-N 1 2 343.475 1.004 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3ccsc3)CC2)C1 ZINC000941438339 701540954 /nfs/dbraw/zinc/54/09/54/701540954.db2.gz QICBEOOOFMIOEW-UHFFFAOYSA-N 1 2 331.485 1.532 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000944181694 702462267 /nfs/dbraw/zinc/46/22/67/702462267.db2.gz AKHDQAWMNGVILZ-MGPQQGTHSA-N 1 2 330.432 1.833 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000944181694 702462272 /nfs/dbraw/zinc/46/22/72/702462272.db2.gz AKHDQAWMNGVILZ-MGPQQGTHSA-N 1 2 330.432 1.833 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nonc3C)C[C@@H]2C)cn1 ZINC000944213325 702541430 /nfs/dbraw/zinc/54/14/30/702541430.db2.gz CVVZRQOXLARQNP-LRDDRELGSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nonc3C)C[C@@H]2C)cn1 ZINC000944213325 702541433 /nfs/dbraw/zinc/54/14/33/702541433.db2.gz CVVZRQOXLARQNP-LRDDRELGSA-N 1 2 339.399 1.395 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000996408690 702761615 /nfs/dbraw/zinc/76/16/15/702761615.db2.gz TVNVLNIFYACYEV-LZWOXQAQSA-N 1 2 348.447 1.686 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000942362928 702864332 /nfs/dbraw/zinc/86/43/32/702864332.db2.gz AMNDVMRNSHJSCR-KGLIPLIRSA-N 1 2 342.443 1.903 20 30 EDEDLO CC[C@H](OC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC)c(C#N)c1 ZINC001032310957 702957310 /nfs/dbraw/zinc/95/73/10/702957310.db2.gz QJFKFAFXNOKVAR-ULQDDVLXSA-N 1 2 343.427 1.777 20 30 EDEDLO CC[C@H](OC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC)c(C#N)c1 ZINC001032310957 702957311 /nfs/dbraw/zinc/95/73/11/702957311.db2.gz QJFKFAFXNOKVAR-ULQDDVLXSA-N 1 2 343.427 1.777 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC000996687463 702984633 /nfs/dbraw/zinc/98/46/33/702984633.db2.gz WOCKPNFGXLLPIH-CJNGLKHVSA-N 1 2 345.447 1.117 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@H]2C)CC1 ZINC000942600043 703115467 /nfs/dbraw/zinc/11/54/67/703115467.db2.gz JJDJJWRQMWRCDG-RHSMWYFYSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)C[C@H]2C)CC1 ZINC000942600043 703115470 /nfs/dbraw/zinc/11/54/70/703115470.db2.gz JJDJJWRQMWRCDG-RHSMWYFYSA-N 1 2 331.464 1.888 20 30 EDEDLO CCc1onc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 ZINC001032364666 703250953 /nfs/dbraw/zinc/25/09/53/703250953.db2.gz OPPWPINDQOSVLG-GJZGRUSLSA-N 1 2 339.399 1.844 20 30 EDEDLO CCc1onc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 ZINC001032364666 703250955 /nfs/dbraw/zinc/25/09/55/703250955.db2.gz OPPWPINDQOSVLG-GJZGRUSLSA-N 1 2 339.399 1.844 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ocnc1C ZINC001032411284 703444545 /nfs/dbraw/zinc/44/45/45/703444545.db2.gz MKOKZAHVUGKQNG-JONQDZQNSA-N 1 2 331.416 1.749 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ocnc1C ZINC001032411284 703444547 /nfs/dbraw/zinc/44/45/47/703444547.db2.gz MKOKZAHVUGKQNG-JONQDZQNSA-N 1 2 331.416 1.749 20 30 EDEDLO CCn1ccc(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)n1 ZINC001032412497 703462182 /nfs/dbraw/zinc/46/21/82/703462182.db2.gz AKCDRVPEBVMARG-OALUTQOASA-N 1 2 349.438 1.802 20 30 EDEDLO CCn1ccc(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)n1 ZINC001032412497 703462184 /nfs/dbraw/zinc/46/21/84/703462184.db2.gz AKCDRVPEBVMARG-OALUTQOASA-N 1 2 349.438 1.802 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc3n(n2)CCC3)cc1 ZINC001032435830 703602773 /nfs/dbraw/zinc/60/27/73/703602773.db2.gz GPKZUXITDAOGFC-ROUUACIJSA-N 1 2 347.422 1.800 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc3n(n2)CCC3)cc1 ZINC001032435830 703602774 /nfs/dbraw/zinc/60/27/74/703602774.db2.gz GPKZUXITDAOGFC-ROUUACIJSA-N 1 2 347.422 1.800 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C(C)(C)C1 ZINC000995563827 703951998 /nfs/dbraw/zinc/95/19/98/703951998.db2.gz QEZFXEJOGOCYFC-WCQYABFASA-N 1 2 331.420 1.823 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000999293139 706790493 /nfs/dbraw/zinc/79/04/93/706790493.db2.gz PTKQVWBWKSBQIP-ZDUSSCGKSA-N 1 2 328.416 1.129 20 30 EDEDLO C[C@H](NC(=O)c1ncn[nH]1)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000997800316 704712572 /nfs/dbraw/zinc/71/25/72/704712572.db2.gz CJAROJGQOYJNHU-ZDUSSCGKSA-N 1 2 338.415 1.707 20 30 EDEDLO C[C@H](NC(=O)c1nc[nH]n1)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000997800316 704712573 /nfs/dbraw/zinc/71/25/73/704712573.db2.gz CJAROJGQOYJNHU-ZDUSSCGKSA-N 1 2 338.415 1.707 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC000944991646 704894307 /nfs/dbraw/zinc/89/43/07/704894307.db2.gz NFSCEEFWOOPCCY-UHFFFAOYSA-N 1 2 344.459 1.924 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2n[nH]cc2F)cc1 ZINC001032612623 705590728 /nfs/dbraw/zinc/59/07/28/705590728.db2.gz SNRGZRDJMKGBGB-KBPBESRZSA-N 1 2 325.347 1.519 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2n[nH]cc2F)cc1 ZINC001032612623 705590732 /nfs/dbraw/zinc/59/07/32/705590732.db2.gz SNRGZRDJMKGBGB-KBPBESRZSA-N 1 2 325.347 1.519 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ncc3cccnc32)C1 ZINC001033274399 707353162 /nfs/dbraw/zinc/35/31/62/707353162.db2.gz GPBRQSTXELNEKT-CQSZACIVSA-N 1 2 333.823 1.717 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ncc3cccnc32)C1 ZINC001033274399 707353167 /nfs/dbraw/zinc/35/31/67/707353167.db2.gz GPBRQSTXELNEKT-CQSZACIVSA-N 1 2 333.823 1.717 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cnc(C)nc3)C2)c1 ZINC001033405251 707814733 /nfs/dbraw/zinc/81/47/33/707814733.db2.gz JLVIZJXHRGODLM-SFHVURJKSA-N 1 2 335.411 1.508 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)c1 ZINC001033405251 707814736 /nfs/dbraw/zinc/81/47/36/707814736.db2.gz JLVIZJXHRGODLM-SFHVURJKSA-N 1 2 335.411 1.508 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001033500647 707966862 /nfs/dbraw/zinc/96/68/62/707966862.db2.gz MWWKUVHHHCJKDW-LBPRGKRZSA-N 1 2 349.822 1.230 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001033500647 707966864 /nfs/dbraw/zinc/96/68/64/707966864.db2.gz MWWKUVHHHCJKDW-LBPRGKRZSA-N 1 2 349.822 1.230 20 30 EDEDLO C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C)c1ccccc1 ZINC001032797097 708070329 /nfs/dbraw/zinc/07/03/29/708070329.db2.gz IZJCKINSKNMARY-YESZJQIVSA-N 1 2 327.428 1.330 20 30 EDEDLO C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C)c1ccccc1 ZINC001032797097 708070330 /nfs/dbraw/zinc/07/03/30/708070330.db2.gz IZJCKINSKNMARY-YESZJQIVSA-N 1 2 327.428 1.330 20 30 EDEDLO C[C@@H](CC(=O)N1CC[C@H](CNc2cncc(C#N)n2)C1)n1cc[nH+]c1 ZINC001061001294 708138545 /nfs/dbraw/zinc/13/85/45/708138545.db2.gz JUAJREGYGUFPJB-UONOGXRCSA-N 1 2 339.403 1.456 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccn(CC)n3)C2)cn1 ZINC001033603830 708325165 /nfs/dbraw/zinc/32/51/65/708325165.db2.gz OJJRKKTVGBGRSG-GOSISDBHSA-N 1 2 337.427 1.626 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccn(CC)n3)C2)cn1 ZINC001033603830 708325167 /nfs/dbraw/zinc/32/51/67/708325167.db2.gz OJJRKKTVGBGRSG-GOSISDBHSA-N 1 2 337.427 1.626 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(C(N)=O)CC2)C1 ZINC001033647824 708430795 /nfs/dbraw/zinc/43/07/95/708430795.db2.gz FTHHBEIKAGKCSZ-CYBMUJFWSA-N 1 2 328.844 1.062 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(C(N)=O)CC2)C1 ZINC001033647824 708430797 /nfs/dbraw/zinc/43/07/97/708430797.db2.gz FTHHBEIKAGKCSZ-CYBMUJFWSA-N 1 2 328.844 1.062 20 30 EDEDLO CCn1cc(C[NH+]2CCC(N(C)C(=O)c3c[nH]c(C#N)c3)CC2)nn1 ZINC001005291770 708539190 /nfs/dbraw/zinc/53/91/90/708539190.db2.gz ZMWPPYLYJCMXQB-UHFFFAOYSA-N 1 2 341.419 1.234 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033708468 708541385 /nfs/dbraw/zinc/54/13/85/708541385.db2.gz BINVBHAADNTLAF-CQSZACIVSA-N 1 2 343.362 1.735 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033708468 708541386 /nfs/dbraw/zinc/54/13/86/708541386.db2.gz BINVBHAADNTLAF-CQSZACIVSA-N 1 2 343.362 1.735 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3cnns3)CC2)nc1 ZINC001002056093 708588252 /nfs/dbraw/zinc/58/82/52/708588252.db2.gz UTRQAWZRBFCMQM-UHFFFAOYSA-N 1 2 341.440 1.556 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001033801294 708793974 /nfs/dbraw/zinc/79/39/74/708793974.db2.gz PJLZPPLGJBABBY-ZDUSSCGKSA-N 1 2 344.444 1.783 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001033801294 708793976 /nfs/dbraw/zinc/79/39/76/708793976.db2.gz PJLZPPLGJBABBY-ZDUSSCGKSA-N 1 2 344.444 1.783 20 30 EDEDLO C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001033854843 708883522 /nfs/dbraw/zinc/88/35/22/708883522.db2.gz WPXQJNNQKKWWQS-LSDHHAIUSA-N 1 2 328.478 1.453 20 30 EDEDLO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001033854843 708883526 /nfs/dbraw/zinc/88/35/26/708883526.db2.gz WPXQJNNQKKWWQS-LSDHHAIUSA-N 1 2 328.478 1.453 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001033884921 708991073 /nfs/dbraw/zinc/99/10/73/708991073.db2.gz JPFRMUMZISETDZ-GFCCVEGCSA-N 1 2 348.834 1.865 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnc3c2CC(=O)N3)C1 ZINC001033884921 708991076 /nfs/dbraw/zinc/99/10/76/708991076.db2.gz JPFRMUMZISETDZ-GFCCVEGCSA-N 1 2 348.834 1.865 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033953988 709134962 /nfs/dbraw/zinc/13/49/62/709134962.db2.gz KJBSFKOKRPCIJJ-BBWFWOEESA-N 1 2 332.448 1.434 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033953988 709134963 /nfs/dbraw/zinc/13/49/63/709134963.db2.gz KJBSFKOKRPCIJJ-BBWFWOEESA-N 1 2 332.448 1.434 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(F)c1 ZINC001002794175 709402187 /nfs/dbraw/zinc/40/21/87/709402187.db2.gz WAFLTUFMGHUWBA-GDBMZVCRSA-N 1 2 346.362 1.443 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(OC)n(C)n2)C1 ZINC001034298503 709732886 /nfs/dbraw/zinc/73/28/86/709732886.db2.gz CHPHSDXILSIGIR-LBPRGKRZSA-N 1 2 326.828 1.766 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(OC)n(C)n2)C1 ZINC001034298503 709732888 /nfs/dbraw/zinc/73/28/88/709732888.db2.gz CHPHSDXILSIGIR-LBPRGKRZSA-N 1 2 326.828 1.766 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001034320500 709770349 /nfs/dbraw/zinc/77/03/49/709770349.db2.gz YQHVNNMLBZJECX-XUWVNRHRSA-N 1 2 342.867 1.761 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001034320500 709770353 /nfs/dbraw/zinc/77/03/53/709770353.db2.gz YQHVNNMLBZJECX-XUWVNRHRSA-N 1 2 342.867 1.761 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001034364247 709883161 /nfs/dbraw/zinc/88/31/61/709883161.db2.gz KEQAAAUBUVUPOW-STQMWFEESA-N 1 2 337.855 1.948 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001034364247 709883167 /nfs/dbraw/zinc/88/31/67/709883167.db2.gz KEQAAAUBUVUPOW-STQMWFEESA-N 1 2 337.855 1.948 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 ZINC001034429262 709967682 /nfs/dbraw/zinc/96/76/82/709967682.db2.gz LFOHMPCCQVYKNS-HIFRSBDPSA-N 1 2 341.883 1.968 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 ZINC001034429262 709967684 /nfs/dbraw/zinc/96/76/84/709967684.db2.gz LFOHMPCCQVYKNS-HIFRSBDPSA-N 1 2 341.883 1.968 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3nnc[nH]3)C2)cc1F ZINC001034450192 710052729 /nfs/dbraw/zinc/05/27/29/710052729.db2.gz FSRCJUHMPKNDRU-AWEZNQCLSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)c3nnc[nH]3)C2)cc1F ZINC001034450192 710052733 /nfs/dbraw/zinc/05/27/33/710052733.db2.gz FSRCJUHMPKNDRU-AWEZNQCLSA-N 1 2 342.378 1.600 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001034487802 710136028 /nfs/dbraw/zinc/13/60/28/710136028.db2.gz QSCKKYUWRPMHIA-QWHCGFSZSA-N 1 2 337.855 1.633 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001034487802 710136033 /nfs/dbraw/zinc/13/60/33/710136033.db2.gz QSCKKYUWRPMHIA-QWHCGFSZSA-N 1 2 337.855 1.633 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001003752078 710534745 /nfs/dbraw/zinc/53/47/45/710534745.db2.gz DZDKIRWZGMLJMC-KFWWJZLASA-N 1 2 330.432 1.734 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001032919776 710766893 /nfs/dbraw/zinc/76/68/93/710766893.db2.gz OMDNPJDGHOTUMP-SNVBAGLBSA-N 1 2 333.442 1.818 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001032919776 710766896 /nfs/dbraw/zinc/76/68/96/710766896.db2.gz OMDNPJDGHOTUMP-SNVBAGLBSA-N 1 2 333.442 1.818 20 30 EDEDLO CN(C(=O)c1cn[nH]c1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032926577 710821382 /nfs/dbraw/zinc/82/13/82/710821382.db2.gz SWXJDQWQZUAAQD-OAHLLOKOSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1cn[nH]c1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032926577 710821389 /nfs/dbraw/zinc/82/13/89/710821389.db2.gz SWXJDQWQZUAAQD-OAHLLOKOSA-N 1 2 327.363 1.767 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](N(C)C(=O)c3cncs3)C2)C1=O ZINC001032933968 710887422 /nfs/dbraw/zinc/88/74/22/710887422.db2.gz BBMOWEQUIIMKEW-QWHCGFSZSA-N 1 2 334.445 1.076 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](N(C)C(=O)c3cncs3)C2)C1=O ZINC001032933968 710887427 /nfs/dbraw/zinc/88/74/27/710887427.db2.gz BBMOWEQUIIMKEW-QWHCGFSZSA-N 1 2 334.445 1.076 20 30 EDEDLO CN(C(=O)c1cn(C)nn1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033054282 711621949 /nfs/dbraw/zinc/62/19/49/711621949.db2.gz JHKYBMWGGVZHJL-AWEZNQCLSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1cn(C)nn1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033054282 711621951 /nfs/dbraw/zinc/62/19/51/711621951.db2.gz JHKYBMWGGVZHJL-AWEZNQCLSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1cnnn1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033058974 711647267 /nfs/dbraw/zinc/64/72/67/711647267.db2.gz VUPWOQVMBRBQRU-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1cnnn1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033058974 711647269 /nfs/dbraw/zinc/64/72/69/711647269.db2.gz VUPWOQVMBRBQRU-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001004476506 711856558 /nfs/dbraw/zinc/85/65/58/711856558.db2.gz YHMXJSAEGYVVSX-SJORKVTESA-N 1 2 341.459 1.672 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001004476506 711856559 /nfs/dbraw/zinc/85/65/59/711856559.db2.gz YHMXJSAEGYVVSX-SJORKVTESA-N 1 2 341.459 1.672 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001033134404 711895721 /nfs/dbraw/zinc/89/57/21/711895721.db2.gz VWSYIABGHYSOHW-CQSZACIVSA-N 1 2 336.823 1.939 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001033134404 711895724 /nfs/dbraw/zinc/89/57/24/711895724.db2.gz VWSYIABGHYSOHW-CQSZACIVSA-N 1 2 336.823 1.939 20 30 EDEDLO C[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)c1cncnc1 ZINC001004520603 711919344 /nfs/dbraw/zinc/91/93/44/711919344.db2.gz HRNPGCURZAIYPB-PBHICJAKSA-N 1 2 327.432 1.807 20 30 EDEDLO C[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)c1cncnc1 ZINC001004520603 711919347 /nfs/dbraw/zinc/91/93/47/711919347.db2.gz HRNPGCURZAIYPB-PBHICJAKSA-N 1 2 327.432 1.807 20 30 EDEDLO COc1cc(=O)[nH]cc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004553644 711980337 /nfs/dbraw/zinc/98/03/37/711980337.db2.gz UJDIQNOAKOSOLW-HNNXBMFYSA-N 1 2 344.415 1.636 20 30 EDEDLO COc1cc(=O)[nH]cc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004553644 711980339 /nfs/dbraw/zinc/98/03/39/711980339.db2.gz UJDIQNOAKOSOLW-HNNXBMFYSA-N 1 2 344.415 1.636 20 30 EDEDLO C=CCCn1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)nn1 ZINC001004578704 712010012 /nfs/dbraw/zinc/01/00/12/712010012.db2.gz LIZMWYQZAFIQPY-KRWDZBQOSA-N 1 2 342.447 1.694 20 30 EDEDLO C=CCCn1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)nn1 ZINC001004578704 712010014 /nfs/dbraw/zinc/01/00/14/712010014.db2.gz LIZMWYQZAFIQPY-KRWDZBQOSA-N 1 2 342.447 1.694 20 30 EDEDLO CN1C(=O)CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004603329 712051969 /nfs/dbraw/zinc/05/19/69/712051969.db2.gz YMLAGSLOCMRIFD-HZPDHXFCSA-N 1 2 332.448 1.224 20 30 EDEDLO CN1C(=O)CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004603329 712051970 /nfs/dbraw/zinc/05/19/70/712051970.db2.gz YMLAGSLOCMRIFD-HZPDHXFCSA-N 1 2 332.448 1.224 20 30 EDEDLO CN(C)c1ncccc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004620043 712081312 /nfs/dbraw/zinc/08/13/12/712081312.db2.gz FTGJOFKZIATGSP-KRWDZBQOSA-N 1 2 341.459 1.988 20 30 EDEDLO CN(C)c1ncccc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004620043 712081314 /nfs/dbraw/zinc/08/13/14/712081314.db2.gz FTGJOFKZIATGSP-KRWDZBQOSA-N 1 2 341.459 1.988 20 30 EDEDLO CC(=O)N1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004627266 712085357 /nfs/dbraw/zinc/08/53/57/712085357.db2.gz YCVITYTXLHULAX-IAGOWNOFSA-N 1 2 332.448 1.224 20 30 EDEDLO CC(=O)N1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004627266 712085358 /nfs/dbraw/zinc/08/53/58/712085358.db2.gz YCVITYTXLHULAX-IAGOWNOFSA-N 1 2 332.448 1.224 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ncccc3C)C2)nn1 ZINC001033485066 712605958 /nfs/dbraw/zinc/60/59/58/712605958.db2.gz WNVQLLUCTNEPDM-OAHLLOKOSA-N 1 2 340.431 1.514 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ncccc3C)C2)nn1 ZINC001033485066 712605959 /nfs/dbraw/zinc/60/59/59/712605959.db2.gz WNVQLLUCTNEPDM-OAHLLOKOSA-N 1 2 340.431 1.514 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC(=O)NC1(C)C)[NH+]1CCOCC1 ZINC000328736510 539359907 /nfs/dbraw/zinc/35/99/07/539359907.db2.gz JQRCPFGSIFGSKH-YNEHKIRRSA-N 1 2 326.441 1.497 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)NCc2csc(Br)c2)C1 ZINC000329114400 539408828 /nfs/dbraw/zinc/40/88/28/539408828.db2.gz SHEDJMVUVXTNNQ-SNVBAGLBSA-N 1 2 348.266 1.845 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)NCc2csc(Br)c2)C1 ZINC000329114400 539408835 /nfs/dbraw/zinc/40/88/35/539408835.db2.gz SHEDJMVUVXTNNQ-SNVBAGLBSA-N 1 2 348.266 1.845 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@]2(C)CCOC2)CC1 ZINC000329326626 539429156 /nfs/dbraw/zinc/42/91/56/539429156.db2.gz JLSRADDIPWTLOA-SFHVURJKSA-N 1 2 349.479 1.495 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)c1nn(C)c2ccccc2c1=O)[NH+]1CCOCC1 ZINC000329415415 539435609 /nfs/dbraw/zinc/43/56/09/539435609.db2.gz CUQJHXUYJVPUJH-QWHCGFSZSA-N 1 2 344.415 1.347 20 30 EDEDLO O=C(N[C@H]1CCN(c2ccccc2)C1=O)N1CCn2cc[nH+]c2C1 ZINC000329855480 539469260 /nfs/dbraw/zinc/46/92/60/539469260.db2.gz UCBZFKYSEUNJQS-AWEZNQCLSA-N 1 2 325.372 1.418 20 30 EDEDLO C=CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000337862502 539693602 /nfs/dbraw/zinc/69/36/02/539693602.db2.gz NYLWBEHYAONTLR-HNNXBMFYSA-N 1 2 343.431 1.883 20 30 EDEDLO N#C[C@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000106332346 237085033 /nfs/dbraw/zinc/08/50/33/237085033.db2.gz LERYFHXOCGJTPL-INIZCTEOSA-N 1 2 325.372 1.365 20 30 EDEDLO N#CCCn1cc(C[NH+]2CCN(CCO)CC2)c(-c2ccccc2)n1 ZINC000112131231 237122699 /nfs/dbraw/zinc/12/26/99/237122699.db2.gz CFFVYVNTHXWGLI-UHFFFAOYSA-N 1 2 339.443 1.574 20 30 EDEDLO C[C@@H](CC#N)N(C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000175992207 237327145 /nfs/dbraw/zinc/32/71/45/237327145.db2.gz YXSGSAFBQFEIBK-HNNXBMFYSA-N 1 2 330.432 1.691 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)cc1Cl ZINC000226235974 139021782 /nfs/dbraw/zinc/02/17/82/139021782.db2.gz YWQVCRZHXWFPBM-UHFFFAOYSA-N 1 2 345.877 1.539 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[C@@H]([NH2+]C)C3)cc2[nH]c1=S ZINC000269131507 249376937 /nfs/dbraw/zinc/37/69/37/249376937.db2.gz OONGZMHMNCNAQT-GFCCVEGCSA-N 1 2 344.440 1.305 20 30 EDEDLO C=C(C)[C@@H](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)OCC ZINC000270010975 249380435 /nfs/dbraw/zinc/38/04/35/249380435.db2.gz AUBUVJVSZMOWCE-MRXNPFEDSA-N 1 2 336.436 1.525 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccc(C(=O)OC)cc2)CC1 ZINC000341984696 250005642 /nfs/dbraw/zinc/00/56/42/250005642.db2.gz DZBRHLWGYMLISP-UHFFFAOYSA-N 1 2 345.399 1.664 20 30 EDEDLO N#CC1(NC(=O)CN2CC[NH+](Cc3cccc(O)c3)CC2)CCC1 ZINC000347002982 250051968 /nfs/dbraw/zinc/05/19/68/250051968.db2.gz WPWATXGASXFIFM-UHFFFAOYSA-N 1 2 328.416 1.072 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000355280803 250110058 /nfs/dbraw/zinc/11/00/58/250110058.db2.gz PQGGIMRCMMLFGR-GDZNZVCISA-N 1 2 328.420 1.823 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000355346131 250113228 /nfs/dbraw/zinc/11/32/28/250113228.db2.gz KILAIKRBGLPTQE-XJKSGUPXSA-N 1 2 345.447 1.634 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000355346131 250113232 /nfs/dbraw/zinc/11/32/32/250113232.db2.gz KILAIKRBGLPTQE-XJKSGUPXSA-N 1 2 345.447 1.634 20 30 EDEDLO COC(=O)c1ccnc(N2CCC[N@H+](C[C@@H](C#N)CCC#N)CC2)c1 ZINC000361461607 250175770 /nfs/dbraw/zinc/17/57/70/250175770.db2.gz GLYYRJNJORBPCB-OAHLLOKOSA-N 1 2 341.415 1.824 20 30 EDEDLO COC(=O)c1ccnc(N2CCC[N@@H+](C[C@@H](C#N)CCC#N)CC2)c1 ZINC000361461607 250175774 /nfs/dbraw/zinc/17/57/74/250175774.db2.gz GLYYRJNJORBPCB-OAHLLOKOSA-N 1 2 341.415 1.824 20 30 EDEDLO C#CCCN1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000368589019 250200386 /nfs/dbraw/zinc/20/03/86/250200386.db2.gz HNHWIIBHZPSBJH-LJQANCHMSA-N 1 2 325.456 1.819 20 30 EDEDLO C=CCC[C@H](O)CN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000370495227 250207228 /nfs/dbraw/zinc/20/72/28/250207228.db2.gz SLKOQWMEOYFMOR-YOEHRIQHSA-N 1 2 328.416 1.443 20 30 EDEDLO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000373910365 250247860 /nfs/dbraw/zinc/24/78/60/250247860.db2.gz NICXAMQVBYRPOI-QMTMVMCOSA-N 1 2 343.427 1.509 20 30 EDEDLO CCCCOC[C@H](O)C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000373910365 250247864 /nfs/dbraw/zinc/24/78/64/250247864.db2.gz NICXAMQVBYRPOI-QMTMVMCOSA-N 1 2 343.427 1.509 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)N(C)C[C@@H]3C2)cc1OC ZINC000376046031 250283855 /nfs/dbraw/zinc/28/38/55/250283855.db2.gz HOPYVACMDPTFMS-OAHLLOKOSA-N 1 2 331.416 1.812 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)N(C)C[C@@H]3C2)cc1OC ZINC000376046031 250283860 /nfs/dbraw/zinc/28/38/60/250283860.db2.gz HOPYVACMDPTFMS-OAHLLOKOSA-N 1 2 331.416 1.812 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000377768050 250293092 /nfs/dbraw/zinc/29/30/92/250293092.db2.gz PKVOSEZMVANXML-UHFFFAOYSA-N 1 2 325.372 1.847 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)C[C@H]21 ZINC000284687347 269693411 /nfs/dbraw/zinc/69/34/11/269693411.db2.gz HSXBALNWQCDWQC-HZPDHXFCSA-N 1 2 348.834 1.555 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)C[C@H]21 ZINC000284687347 269693412 /nfs/dbraw/zinc/69/34/12/269693412.db2.gz HSXBALNWQCDWQC-HZPDHXFCSA-N 1 2 348.834 1.555 20 30 EDEDLO CN1CCO[C@@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C[C@H]21 ZINC000284687347 269693413 /nfs/dbraw/zinc/69/34/13/269693413.db2.gz HSXBALNWQCDWQC-HZPDHXFCSA-N 1 2 348.834 1.555 20 30 EDEDLO CN1CCO[C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C[C@H]21 ZINC000284687347 269693414 /nfs/dbraw/zinc/69/34/14/269693414.db2.gz HSXBALNWQCDWQC-HZPDHXFCSA-N 1 2 348.834 1.555 20 30 EDEDLO N#Cc1cc(F)c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(F)c1 ZINC000263726343 139355968 /nfs/dbraw/zinc/35/59/68/139355968.db2.gz PGRYSNJUFRCZAJ-UHFFFAOYSA-N 1 2 348.397 1.971 20 30 EDEDLO N#Cc1cc(F)c(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(F)c1 ZINC000263726343 139355969 /nfs/dbraw/zinc/35/59/69/139355969.db2.gz PGRYSNJUFRCZAJ-UHFFFAOYSA-N 1 2 348.397 1.971 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCOC2)CC1 ZINC000491066567 255117498 /nfs/dbraw/zinc/11/74/98/255117498.db2.gz DRBHBXWKFUMAJO-HNNXBMFYSA-N 1 2 331.464 1.367 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](Cc2ccccc2OC)C2CC2)CC1 ZINC000490759294 255105485 /nfs/dbraw/zinc/10/54/85/255105485.db2.gz BOOAYDNPSWUMMP-UHFFFAOYSA-N 1 2 341.455 1.437 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](Cc2ccccc2OC)C2CC2)CC1 ZINC000490759294 255105486 /nfs/dbraw/zinc/10/54/86/255105486.db2.gz BOOAYDNPSWUMMP-UHFFFAOYSA-N 1 2 341.455 1.437 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C(=O)NC(CC)CC)n2C2CC2)CC1 ZINC000491634315 255135128 /nfs/dbraw/zinc/13/51/28/255135128.db2.gz RWCAVYNMURAPAJ-UHFFFAOYSA-N 1 2 344.463 1.287 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000491643184 255136849 /nfs/dbraw/zinc/13/68/49/255136849.db2.gz ZRHFPZCZZWKFHH-RRFJBIMHSA-N 1 2 330.432 1.858 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000491672006 255138634 /nfs/dbraw/zinc/13/86/34/255138634.db2.gz GMKDZJARQFFBFR-MRXNPFEDSA-N 1 2 345.487 1.581 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)C1CC1 ZINC000491672006 255138636 /nfs/dbraw/zinc/13/86/36/255138636.db2.gz GMKDZJARQFFBFR-MRXNPFEDSA-N 1 2 345.487 1.581 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(CCCO)c2ccc(Cl)cc2)CC1 ZINC000491692199 255141767 /nfs/dbraw/zinc/14/17/67/255141767.db2.gz IDIZDSJTHLPZKI-UHFFFAOYSA-N 1 2 349.862 1.306 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000491819185 255149945 /nfs/dbraw/zinc/14/99/45/255149945.db2.gz MZUGILQDZPYPSC-MSOLQXFVSA-N 1 2 339.439 1.074 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000491819185 255149946 /nfs/dbraw/zinc/14/99/46/255149946.db2.gz MZUGILQDZPYPSC-MSOLQXFVSA-N 1 2 339.439 1.074 20 30 EDEDLO C=C(C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496859482 255433528 /nfs/dbraw/zinc/43/35/28/255433528.db2.gz SOVZQMZTBMDFTB-CQSZACIVSA-N 1 2 340.468 1.803 20 30 EDEDLO C=C(C)CCNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496859482 255433529 /nfs/dbraw/zinc/43/35/29/255433529.db2.gz SOVZQMZTBMDFTB-CQSZACIVSA-N 1 2 340.468 1.803 20 30 EDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496570548 255409692 /nfs/dbraw/zinc/40/96/92/255409692.db2.gz LOFREKUZJHTDME-GFCCVEGCSA-N 1 2 335.408 1.955 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000264095080 139380207 /nfs/dbraw/zinc/38/02/07/139380207.db2.gz DZULHKGSWPYFQB-UHFFFAOYSA-N 1 2 342.378 1.463 20 30 EDEDLO N#Cc1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)s1 ZINC000571582016 306569257 /nfs/dbraw/zinc/56/92/57/306569257.db2.gz MARJLXOTTJHNIV-UHFFFAOYSA-N 1 2 340.408 1.534 20 30 EDEDLO Cc1nc(N2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)cc[nH+]1 ZINC000332408793 141177257 /nfs/dbraw/zinc/17/72/57/141177257.db2.gz DSCJVIJQSBYTQO-UHFFFAOYSA-N 1 2 349.441 1.229 20 30 EDEDLO N#Cc1ccsc1NC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000339869223 142184565 /nfs/dbraw/zinc/18/45/65/142184565.db2.gz VSJRVAFOAYECQC-UHFFFAOYSA-N 1 2 343.412 1.450 20 30 EDEDLO N#Cc1cccc(CCNC(=O)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000340104135 142267068 /nfs/dbraw/zinc/26/70/68/142267068.db2.gz GHMHURLXWDTTPE-UHFFFAOYSA-N 1 2 349.438 1.434 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000345433747 143090640 /nfs/dbraw/zinc/09/06/40/143090640.db2.gz RQGHJLPNQUBCFQ-CABCVRRESA-N 1 2 331.416 1.505 20 30 EDEDLO COCCN1C(=O)N[C@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000345679401 143120434 /nfs/dbraw/zinc/12/04/34/143120434.db2.gz CHMITZSIBVLTIZ-JKSUJKDBSA-N 1 2 348.834 1.826 20 30 EDEDLO COCCN1C(=O)N[C@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000345679401 143120435 /nfs/dbraw/zinc/12/04/35/143120435.db2.gz CHMITZSIBVLTIZ-JKSUJKDBSA-N 1 2 348.834 1.826 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)[C@@H]1C ZINC000346693974 143232787 /nfs/dbraw/zinc/23/27/87/143232787.db2.gz QWRCDBABSARMDA-RTXFEEFZSA-N 1 2 333.413 1.608 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)[C@@H]1C ZINC000346693974 143232788 /nfs/dbraw/zinc/23/27/88/143232788.db2.gz QWRCDBABSARMDA-RTXFEEFZSA-N 1 2 333.413 1.608 20 30 EDEDLO CCS(=O)(=O)N1CC[N@H+](CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000347292622 143304670 /nfs/dbraw/zinc/30/46/70/143304670.db2.gz CEHNEQMHASJWPT-AWEZNQCLSA-N 1 2 337.445 1.293 20 30 EDEDLO CCS(=O)(=O)N1CC[N@@H+](CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000347292622 143304671 /nfs/dbraw/zinc/30/46/71/143304671.db2.gz CEHNEQMHASJWPT-AWEZNQCLSA-N 1 2 337.445 1.293 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CSCc1ccc(C#N)cc1 ZINC000355056215 150094006 /nfs/dbraw/zinc/09/40/06/150094006.db2.gz BAIRPYRXJOOBRT-AWEZNQCLSA-N 1 2 333.457 1.628 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CSCc1ccc(C#N)cc1 ZINC000355056215 150094008 /nfs/dbraw/zinc/09/40/08/150094008.db2.gz BAIRPYRXJOOBRT-AWEZNQCLSA-N 1 2 333.457 1.628 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C(C)(C)C1 ZINC000355717667 150373271 /nfs/dbraw/zinc/37/32/71/150373271.db2.gz XCXVLGSWHAHIBH-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C(C)(C)C1 ZINC000355717667 150373274 /nfs/dbraw/zinc/37/32/74/150373274.db2.gz XCXVLGSWHAHIBH-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2Cn2cncn2)cc1 ZINC000370031236 155290145 /nfs/dbraw/zinc/29/01/45/155290145.db2.gz ZIHQHDRLQGCDJT-OAHLLOKOSA-N 1 2 345.428 1.088 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2Cn2cncn2)cc1 ZINC000370031236 155290148 /nfs/dbraw/zinc/29/01/48/155290148.db2.gz ZIHQHDRLQGCDJT-OAHLLOKOSA-N 1 2 345.428 1.088 20 30 EDEDLO COc1cc(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)ccc1C#N ZINC000357618774 151087509 /nfs/dbraw/zinc/08/75/09/151087509.db2.gz OTNFELOHFFEVOR-OAHLLOKOSA-N 1 2 339.399 1.930 20 30 EDEDLO COc1cc(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)ccc1C#N ZINC000357618774 151087510 /nfs/dbraw/zinc/08/75/10/151087510.db2.gz OTNFELOHFFEVOR-OAHLLOKOSA-N 1 2 339.399 1.930 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000370050553 155303452 /nfs/dbraw/zinc/30/34/52/155303452.db2.gz RHFVFMKNZURHJH-QAPCUYQASA-N 1 2 342.443 1.035 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000370050553 155303454 /nfs/dbraw/zinc/30/34/54/155303454.db2.gz RHFVFMKNZURHJH-QAPCUYQASA-N 1 2 342.443 1.035 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC3(CCOC3=O)CC2)cc1 ZINC000370087487 155318197 /nfs/dbraw/zinc/31/81/97/155318197.db2.gz SLIJYFJMIWIRDX-UHFFFAOYSA-N 1 2 348.424 1.361 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360395829 152020436 /nfs/dbraw/zinc/02/04/36/152020436.db2.gz PZTLXPCUSBLNEG-ABAIWWIYSA-N 1 2 326.356 1.285 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360395829 152020440 /nfs/dbraw/zinc/02/04/40/152020440.db2.gz PZTLXPCUSBLNEG-ABAIWWIYSA-N 1 2 326.356 1.285 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000363925517 153098792 /nfs/dbraw/zinc/09/87/92/153098792.db2.gz PZRRSVDRJYCXOT-ZRGWGRIASA-N 1 2 343.427 1.443 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000363925517 153098794 /nfs/dbraw/zinc/09/87/94/153098794.db2.gz PZRRSVDRJYCXOT-ZRGWGRIASA-N 1 2 343.427 1.443 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCOC3(CCOCC3)CC2)c(C#N)c1C ZINC000364261104 153189447 /nfs/dbraw/zinc/18/94/47/153189447.db2.gz KWZVNWQAKKYNRM-UHFFFAOYSA-N 1 2 347.415 1.978 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCOC3(CCOCC3)CC2)c(C#N)c1C ZINC000364261104 153189449 /nfs/dbraw/zinc/18/94/49/153189449.db2.gz KWZVNWQAKKYNRM-UHFFFAOYSA-N 1 2 347.415 1.978 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000371758173 156094538 /nfs/dbraw/zinc/09/45/38/156094538.db2.gz CCKWGJJGCOTJTJ-AWEZNQCLSA-N 1 2 340.383 1.981 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1(C)C ZINC000378000820 158052887 /nfs/dbraw/zinc/05/28/87/158052887.db2.gz PBTHKHYYWPXEHS-ZDUSSCGKSA-N 1 2 333.388 1.838 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1(C)C ZINC000378000820 158052889 /nfs/dbraw/zinc/05/28/89/158052889.db2.gz PBTHKHYYWPXEHS-ZDUSSCGKSA-N 1 2 333.388 1.838 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000352326181 162118513 /nfs/dbraw/zinc/11/85/13/162118513.db2.gz CPRFJSRHKCIVGQ-UHFFFAOYSA-N 1 2 331.401 1.007 20 30 EDEDLO Cc1ccccc1CNC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481366 287235501 /nfs/dbraw/zinc/23/55/01/287235501.db2.gz UVBUCKOJHOPNKQ-UHFFFAOYSA-N 1 2 349.438 1.700 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000111291927 287336751 /nfs/dbraw/zinc/33/67/51/287336751.db2.gz FHPXUVCIUAZUPV-MRXNPFEDSA-N 1 2 326.400 1.584 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000111291927 287336752 /nfs/dbraw/zinc/33/67/52/287336752.db2.gz FHPXUVCIUAZUPV-MRXNPFEDSA-N 1 2 326.400 1.584 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)OC[C@@H]3CCCO3)CC2)cc1 ZINC000286682010 270009976 /nfs/dbraw/zinc/00/99/76/270009976.db2.gz YWINQBXTJXJLAH-KRWDZBQOSA-N 1 2 329.400 1.991 20 30 EDEDLO CCC[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1CCOC ZINC000188746455 266069342 /nfs/dbraw/zinc/06/93/42/266069342.db2.gz DJKKGRWHAPCQIW-MRXNPFEDSA-N 1 2 331.416 1.837 20 30 EDEDLO CCC[C@@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@H+]1CCOC ZINC000188746455 266069353 /nfs/dbraw/zinc/06/93/53/266069353.db2.gz DJKKGRWHAPCQIW-MRXNPFEDSA-N 1 2 331.416 1.837 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000275597328 266577329 /nfs/dbraw/zinc/57/73/29/266577329.db2.gz ICKNYDFELSEUKG-ZDUSSCGKSA-N 1 2 339.359 1.362 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000275597328 266577333 /nfs/dbraw/zinc/57/73/33/266577333.db2.gz ICKNYDFELSEUKG-ZDUSSCGKSA-N 1 2 339.359 1.362 20 30 EDEDLO C[C@H]1CCN(S(=O)(=O)c2cccnc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000276973887 267217216 /nfs/dbraw/zinc/21/72/16/267217216.db2.gz DYMGTVPKSNZLOO-GXTWGEPZSA-N 1 2 331.401 1.422 20 30 EDEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528464510 267226326 /nfs/dbraw/zinc/22/63/26/267226326.db2.gz MFSYCUTWGVPJHY-CVEARBPZSA-N 1 2 331.416 1.241 20 30 EDEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528464510 267226328 /nfs/dbraw/zinc/22/63/28/267226328.db2.gz MFSYCUTWGVPJHY-CVEARBPZSA-N 1 2 331.416 1.241 20 30 EDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(c2ccnc(C#N)c2)CCO1 ZINC000418929742 267298923 /nfs/dbraw/zinc/29/89/23/267298923.db2.gz ACVWJIOEFDRABC-INIZCTEOSA-N 1 2 346.431 1.432 20 30 EDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(c2ccnc(C#N)c2)CCO1 ZINC000418929742 267298925 /nfs/dbraw/zinc/29/89/25/267298925.db2.gz ACVWJIOEFDRABC-INIZCTEOSA-N 1 2 346.431 1.432 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc2c(c1C#N)CCC2 ZINC000528126450 267329700 /nfs/dbraw/zinc/32/97/00/267329700.db2.gz AFBLUCAWGFORRK-IBGZPJMESA-N 1 2 342.443 1.470 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc2c(c1C#N)CCC2 ZINC000528126450 267329703 /nfs/dbraw/zinc/32/97/03/267329703.db2.gz AFBLUCAWGFORRK-IBGZPJMESA-N 1 2 342.443 1.470 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1c(F)cc(C#N)cc1F ZINC000528128779 267330667 /nfs/dbraw/zinc/33/06/67/267330667.db2.gz DWHITJUTSRBCKX-KRWDZBQOSA-N 1 2 337.370 1.864 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1c(F)cc(C#N)cc1F ZINC000528128779 267330669 /nfs/dbraw/zinc/33/06/69/267330669.db2.gz DWHITJUTSRBCKX-KRWDZBQOSA-N 1 2 337.370 1.864 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(F)c1C#N ZINC000529751263 267332573 /nfs/dbraw/zinc/33/25/73/267332573.db2.gz HDVDCXJBRFKUCN-GOSISDBHSA-N 1 2 347.390 1.043 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(F)c1C#N ZINC000529751263 267332577 /nfs/dbraw/zinc/33/25/77/267332577.db2.gz HDVDCXJBRFKUCN-GOSISDBHSA-N 1 2 347.390 1.043 20 30 EDEDLO Cc1cc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c(C#N)c(C)[nH+]1 ZINC000301675489 267339199 /nfs/dbraw/zinc/33/91/99/267339199.db2.gz PRIVDNKMFSOWPL-IBGZPJMESA-N 1 2 349.438 1.919 20 30 EDEDLO COC(=O)N1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 ZINC000491526804 267378145 /nfs/dbraw/zinc/37/81/45/267378145.db2.gz CLPUCIRLAASVOE-UHFFFAOYSA-N 1 2 340.387 1.467 20 30 EDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000420442526 268159547 /nfs/dbraw/zinc/15/95/47/268159547.db2.gz KCXPWWBDMONTBV-SECBINFHSA-N 1 2 349.790 1.735 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000278736870 268193448 /nfs/dbraw/zinc/19/34/48/268193448.db2.gz WEGCLTVJSLTBCO-CVEARBPZSA-N 1 2 344.440 1.557 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)o2)c1 ZINC000527056487 268264573 /nfs/dbraw/zinc/26/45/73/268264573.db2.gz LCGQCROGRVEDIM-DZKIICNBSA-N 1 2 337.383 1.694 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)o2)c1 ZINC000527056487 268264575 /nfs/dbraw/zinc/26/45/75/268264575.db2.gz LCGQCROGRVEDIM-DZKIICNBSA-N 1 2 337.383 1.694 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000407992987 268285092 /nfs/dbraw/zinc/28/50/92/268285092.db2.gz VQIOKSCCWZYNLN-GOEBONIOSA-N 1 2 344.440 1.557 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(CC(F)F)CC1 ZINC000528364178 268296617 /nfs/dbraw/zinc/29/66/17/268296617.db2.gz HSMLABFOSVYPNW-AWEZNQCLSA-N 1 2 325.359 1.181 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000528400799 268301699 /nfs/dbraw/zinc/30/16/99/268301699.db2.gz QLCXFFHVXUSVFJ-CRAIPNDOSA-N 1 2 328.368 1.964 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000528400799 268301700 /nfs/dbraw/zinc/30/17/00/268301700.db2.gz QLCXFFHVXUSVFJ-CRAIPNDOSA-N 1 2 328.368 1.964 20 30 EDEDLO N#Cc1cnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(F)c1 ZINC000413049986 268312101 /nfs/dbraw/zinc/31/21/01/268312101.db2.gz UIIZSFSEUOHNBA-UHFFFAOYSA-N 1 2 331.395 1.227 20 30 EDEDLO N#Cc1cnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(F)c1 ZINC000413049986 268312102 /nfs/dbraw/zinc/31/21/02/268312102.db2.gz UIIZSFSEUOHNBA-UHFFFAOYSA-N 1 2 331.395 1.227 20 30 EDEDLO N#Cc1cnc2c(F)cc(F)cc2c1NC[C@H](O)C[NH+]1CCOCC1 ZINC000432129329 268314182 /nfs/dbraw/zinc/31/41/82/268314182.db2.gz KLLZLZNAMIEDQL-ZDUSSCGKSA-N 1 2 348.353 1.490 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031304342 275429871 /nfs/dbraw/zinc/42/98/71/275429871.db2.gz WVYUWGQFOJHTTD-UHFFFAOYSA-N 1 2 338.795 1.672 20 30 EDEDLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)nn1CCC#N ZINC000287271405 278726403 /nfs/dbraw/zinc/72/64/03/278726403.db2.gz YLEPWRYGEUXUJQ-DZGCQCFKSA-N 1 2 346.435 1.432 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000332735678 279325927 /nfs/dbraw/zinc/32/59/27/279325927.db2.gz VZPDVEXTSCAGHD-SFHVURJKSA-N 1 2 346.431 1.433 20 30 EDEDLO N#Cc1cnccc1NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000545947402 306088043 /nfs/dbraw/zinc/08/80/43/306088043.db2.gz MJWAAUZOTGMKPC-UHFFFAOYSA-N 1 2 336.399 1.084 20 30 EDEDLO C=CCNC(=O)c1ccc(NCc2cccnc2-n2cc[nH+]c2)nc1 ZINC000378064075 447399381 /nfs/dbraw/zinc/39/93/81/447399381.db2.gz XQYTTXFDRBEFGU-UHFFFAOYSA-N 1 2 334.383 2.190 20 30 EDEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000101544571 441156612 /nfs/dbraw/zinc/15/66/12/441156612.db2.gz UQMUVBRCHSAJEJ-AWEZNQCLSA-N 1 2 332.429 1.325 20 30 EDEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000101544571 441156617 /nfs/dbraw/zinc/15/66/17/441156617.db2.gz UQMUVBRCHSAJEJ-AWEZNQCLSA-N 1 2 332.429 1.325 20 30 EDEDLO CCCCN(CC)C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481466 441245958 /nfs/dbraw/zinc/24/59/58/441245958.db2.gz SINWWSXDSHLQHT-UHFFFAOYSA-N 1 2 329.448 1.724 20 30 EDEDLO CC(C)(C)C(=O)NCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023438068 441295758 /nfs/dbraw/zinc/29/57/58/441295758.db2.gz CGFFTPAHFYUVFH-UHFFFAOYSA-N 1 2 342.443 1.365 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108299 441294348 /nfs/dbraw/zinc/29/43/48/441294348.db2.gz CETRSCLNZPUYEI-AWEZNQCLSA-N 1 2 327.432 1.523 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000063825347 441356343 /nfs/dbraw/zinc/35/63/43/441356343.db2.gz URRSUQJWBWNXOW-UHFFFAOYSA-N 1 2 347.378 1.812 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000029891228 441477089 /nfs/dbraw/zinc/47/70/89/441477089.db2.gz LOONNNBSOFQDHN-DNVCBOLYSA-N 1 2 346.475 1.332 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000087086118 441479934 /nfs/dbraw/zinc/47/99/34/441479934.db2.gz RQDSCMBVYVKUCS-HNNXBMFYSA-N 1 2 335.452 1.018 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000029443735 441458684 /nfs/dbraw/zinc/45/86/84/441458684.db2.gz AHOZDNMESAVNIW-UHFFFAOYSA-N 1 2 335.411 1.738 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445080 441459779 /nfs/dbraw/zinc/45/97/79/441459779.db2.gz AMWMJYJHABBMHL-CQSZACIVSA-N 1 2 327.432 1.523 20 30 EDEDLO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029446779 441460145 /nfs/dbraw/zinc/46/01/45/441460145.db2.gz JYRRVBLOFZWIDT-IBGZPJMESA-N 1 2 349.438 1.905 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000076199153 441609819 /nfs/dbraw/zinc/60/98/19/441609819.db2.gz HDUYAWKPVSZEST-UHFFFAOYSA-N 1 2 342.443 1.430 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000076199153 441609823 /nfs/dbraw/zinc/60/98/23/441609823.db2.gz HDUYAWKPVSZEST-UHFFFAOYSA-N 1 2 342.443 1.430 20 30 EDEDLO CC[C@@H](C)NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055171710 441624703 /nfs/dbraw/zinc/62/47/03/441624703.db2.gz RHAOPFQXCJHIFT-MRXNPFEDSA-N 1 2 328.460 1.981 20 30 EDEDLO CC[C@@H](C)NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055171710 441624705 /nfs/dbraw/zinc/62/47/05/441624705.db2.gz RHAOPFQXCJHIFT-MRXNPFEDSA-N 1 2 328.460 1.981 20 30 EDEDLO Cc1nn(-c2ccccc2)c(CN(C)CC[NH+]2CCOCC2)c1C#N ZINC000091068406 441656027 /nfs/dbraw/zinc/65/60/27/441656027.db2.gz NKKBDSDZJVMKBX-UHFFFAOYSA-N 1 2 339.443 1.816 20 30 EDEDLO C=CCCC[N@@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000076736710 441682254 /nfs/dbraw/zinc/68/22/54/441682254.db2.gz KPRMGTWIPDGYFL-MRXNPFEDSA-N 1 2 342.505 1.843 20 30 EDEDLO C=CCCC[N@H+](C)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000076736710 441682256 /nfs/dbraw/zinc/68/22/56/441682256.db2.gz KPRMGTWIPDGYFL-MRXNPFEDSA-N 1 2 342.505 1.843 20 30 EDEDLO COc1cccc([C@@H](NC(=O)CSCC#N)c2[nH+]ccn2C)c1 ZINC000041787721 441673171 /nfs/dbraw/zinc/67/31/71/441673171.db2.gz USNDAEAMYWJQDY-OAHLLOKOSA-N 1 2 330.413 1.891 20 30 EDEDLO C=CC[N@@H+](Cc1cccc(OCCOC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361094 441794203 /nfs/dbraw/zinc/79/42/03/441794203.db2.gz QVDAYTOXDVTCKZ-INIZCTEOSA-N 1 2 339.457 1.887 20 30 EDEDLO C=CC[N@H+](Cc1cccc(OCCOC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361094 441794208 /nfs/dbraw/zinc/79/42/08/441794208.db2.gz QVDAYTOXDVTCKZ-INIZCTEOSA-N 1 2 339.457 1.887 20 30 EDEDLO N#Cc1c(Cl)nsc1Nc1ccc(N2CCNC(=O)C2)[nH+]c1 ZINC000092606629 441813908 /nfs/dbraw/zinc/81/39/08/441813908.db2.gz QFUMEQUSVCBNPJ-UHFFFAOYSA-N 1 2 334.792 1.743 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000068959895 441874996 /nfs/dbraw/zinc/87/49/96/441874996.db2.gz NBWZQHJESRWMCK-QGZVFWFLSA-N 1 2 340.427 1.974 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000068959895 441874999 /nfs/dbraw/zinc/87/49/99/441874999.db2.gz NBWZQHJESRWMCK-QGZVFWFLSA-N 1 2 340.427 1.974 20 30 EDEDLO C[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1O ZINC000093344954 441881297 /nfs/dbraw/zinc/88/12/97/441881297.db2.gz LTHAPVFZUWGFKT-BBRMVZONSA-N 1 2 339.399 1.385 20 30 EDEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1O ZINC000093344954 441881299 /nfs/dbraw/zinc/88/12/99/441881299.db2.gz LTHAPVFZUWGFKT-BBRMVZONSA-N 1 2 339.399 1.385 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000069036693 441881663 /nfs/dbraw/zinc/88/16/63/441881663.db2.gz UCLIVCYPKOULQU-UHFFFAOYSA-N 1 2 336.823 1.474 20 30 EDEDLO N#CCNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000124852966 441959447 /nfs/dbraw/zinc/95/94/47/441959447.db2.gz XAWUGOHEWNWPQA-UHFFFAOYSA-N 1 2 326.322 1.467 20 30 EDEDLO CN(C(=O)CN(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000078681341 441961350 /nfs/dbraw/zinc/96/13/50/441961350.db2.gz XJWRFGWGCGVGPV-UHFFFAOYSA-N 1 2 330.432 1.197 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1 ZINC000151596569 442090157 /nfs/dbraw/zinc/09/01/57/442090157.db2.gz TXYIHELHFFMRSV-CYBMUJFWSA-N 1 2 333.457 1.978 20 30 EDEDLO C#CC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)Cc1ccc(F)cc1 ZINC000126230246 442090701 /nfs/dbraw/zinc/09/07/01/442090701.db2.gz OGOPYHZWQSATST-ZDUSSCGKSA-N 1 2 335.379 1.122 20 30 EDEDLO C#CC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)Cc1ccc(F)cc1 ZINC000126230246 442090705 /nfs/dbraw/zinc/09/07/05/442090705.db2.gz OGOPYHZWQSATST-ZDUSSCGKSA-N 1 2 335.379 1.122 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)c(C#N)c1C ZINC000120873905 442144941 /nfs/dbraw/zinc/14/49/41/442144941.db2.gz HAYWKVSRPSNHKS-LBPRGKRZSA-N 1 2 346.431 1.895 20 30 EDEDLO C=CCc1ccc(OCC(=O)NCCc2c[nH+]cn2C)c(OC)c1 ZINC000121274016 442198585 /nfs/dbraw/zinc/19/85/85/442198585.db2.gz ORKWWXMDZPGOID-UHFFFAOYSA-N 1 2 329.400 1.895 20 30 EDEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000120925518 442153264 /nfs/dbraw/zinc/15/32/64/442153264.db2.gz SVMWFVQDCFEEHQ-YJBOKZPZSA-N 1 2 328.368 1.964 20 30 EDEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000120925518 442153268 /nfs/dbraw/zinc/15/32/68/442153268.db2.gz SVMWFVQDCFEEHQ-YJBOKZPZSA-N 1 2 328.368 1.964 20 30 EDEDLO C[C@@H](C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)CS(C)(=O)=O ZINC000163374905 442162171 /nfs/dbraw/zinc/16/21/71/442162171.db2.gz HXHVTRPGDYGLSS-ZDUSSCGKSA-N 1 2 339.436 1.500 20 30 EDEDLO NC(=[NH+]OCCCN1C(=O)CNC1=O)c1cccc(C(F)(F)F)c1 ZINC000152975616 442254142 /nfs/dbraw/zinc/25/41/42/442254142.db2.gz GSAQZOSGKGTMJY-UHFFFAOYSA-N 1 2 344.293 1.284 20 30 EDEDLO NC(CCO)=[NH+]OCc1nc(-c2cc(Br)cs2)no1 ZINC000121347035 442206552 /nfs/dbraw/zinc/20/65/52/442206552.db2.gz AVTJOGXGPCDVRW-UHFFFAOYSA-N 1 2 347.194 1.732 20 30 EDEDLO C=CC[N@@H+](C)CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000121409461 442213732 /nfs/dbraw/zinc/21/37/32/442213732.db2.gz NJMSCILQWXYHNU-SFHVURJKSA-N 1 2 344.415 1.079 20 30 EDEDLO C=CC[N@H+](C)CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000121409461 442213736 /nfs/dbraw/zinc/21/37/36/442213736.db2.gz NJMSCILQWXYHNU-SFHVURJKSA-N 1 2 344.415 1.079 20 30 EDEDLO CCN(CCC#N)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000131685918 442377838 /nfs/dbraw/zinc/37/78/38/442377838.db2.gz GJKVGULUZJGCOC-UHFFFAOYSA-N 1 2 343.431 1.273 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)NCCc1[nH]cc[nH+]1 ZINC000171756058 442378348 /nfs/dbraw/zinc/37/83/48/442378348.db2.gz ZQYHALHKQTXZIV-UHFFFAOYSA-N 1 2 328.372 1.808 20 30 EDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000180079577 442537480 /nfs/dbraw/zinc/53/74/80/442537480.db2.gz VWXNFQLSHMRLNB-KBPBESRZSA-N 1 2 332.404 1.820 20 30 EDEDLO COc1ccc(C[NH+]2CCN(Cc3nc(C)no3)CC2)cc1C#N ZINC000135090463 442555060 /nfs/dbraw/zinc/55/50/60/442555060.db2.gz QPUGEVDZRFPNFA-UHFFFAOYSA-N 1 2 327.388 1.576 20 30 EDEDLO C#CCCCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000191985679 442555382 /nfs/dbraw/zinc/55/53/82/442555382.db2.gz INTHIYMWHZNLIX-UHFFFAOYSA-N 1 2 330.428 1.817 20 30 EDEDLO Cn1cnn(-c2ccc(NCc3c[nH+]c4ccc(C#N)cn34)cc2)c1=O ZINC000180188866 442555447 /nfs/dbraw/zinc/55/54/47/442555447.db2.gz FZNRIYRTGSBPBI-UHFFFAOYSA-N 1 2 345.366 1.702 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)[nH]3)c[nH+]2)CCO1 ZINC000158167365 442651616 /nfs/dbraw/zinc/65/16/16/442651616.db2.gz PURBQGVNEYPISC-LBPRGKRZSA-N 1 2 325.372 1.436 20 30 EDEDLO COCc1noc(CN2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n1 ZINC000192215314 442614434 /nfs/dbraw/zinc/61/44/34/442614434.db2.gz GXFQJXVUYVKWTJ-UHFFFAOYSA-N 1 2 345.378 1.545 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC000157884651 442624187 /nfs/dbraw/zinc/62/41/87/442624187.db2.gz JJMQSQKBGIEJII-BRWVUGGUSA-N 1 2 329.400 1.765 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC000157884651 442624188 /nfs/dbraw/zinc/62/41/88/442624188.db2.gz JJMQSQKBGIEJII-BRWVUGGUSA-N 1 2 329.400 1.765 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)N[C@H](C)CC#N)CC1 ZINC000186877376 442624307 /nfs/dbraw/zinc/62/43/07/442624307.db2.gz MLTQEMCESYNUEN-CQSZACIVSA-N 1 2 343.431 1.774 20 30 EDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135753751 442630497 /nfs/dbraw/zinc/63/04/97/442630497.db2.gz LEEPMOWYNJXOOW-INIZCTEOSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135753751 442630502 /nfs/dbraw/zinc/63/05/02/442630502.db2.gz LEEPMOWYNJXOOW-INIZCTEOSA-N 1 2 337.420 1.697 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(C)(C)C#N)c2)CC1 ZINC000187162742 442657817 /nfs/dbraw/zinc/65/78/17/442657817.db2.gz KTUUOLGZWNIBCE-UHFFFAOYSA-N 1 2 328.416 1.839 20 30 EDEDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192583248 442665568 /nfs/dbraw/zinc/66/55/68/442665568.db2.gz NGXFXYGZNHCMHR-SJORKVTESA-N 1 2 340.427 1.510 20 30 EDEDLO CC(C)[C@H]1C(=O)NCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192583248 442665570 /nfs/dbraw/zinc/66/55/70/442665570.db2.gz NGXFXYGZNHCMHR-SJORKVTESA-N 1 2 340.427 1.510 20 30 EDEDLO C=C(Cl)CNC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000267935487 442792458 /nfs/dbraw/zinc/79/24/58/442792458.db2.gz GXCCGHKWABONNA-CYBMUJFWSA-N 1 2 328.844 1.077 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C#N)C1 ZINC000267990890 442809707 /nfs/dbraw/zinc/80/97/07/442809707.db2.gz KJFKPXARQASVQQ-ZDUSSCGKSA-N 1 2 333.392 1.245 20 30 EDEDLO COC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 ZINC000246766356 442811549 /nfs/dbraw/zinc/81/15/49/442811549.db2.gz NYXRTPXKQZWZNX-BNQMIIOLSA-N 1 2 337.464 1.653 20 30 EDEDLO COC[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CCO1 ZINC000246766356 442811551 /nfs/dbraw/zinc/81/15/51/442811551.db2.gz NYXRTPXKQZWZNX-BNQMIIOLSA-N 1 2 337.464 1.653 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCOc1ccccc1F ZINC000247746631 442867443 /nfs/dbraw/zinc/86/74/43/442867443.db2.gz QETBVCFNIBSYLY-UHFFFAOYSA-N 1 2 349.406 1.669 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265665140 442870910 /nfs/dbraw/zinc/87/09/10/442870910.db2.gz UVKSZTUNSIQJLU-ZBFHGGJFSA-N 1 2 328.416 1.484 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265665140 442870912 /nfs/dbraw/zinc/87/09/12/442870912.db2.gz UVKSZTUNSIQJLU-ZBFHGGJFSA-N 1 2 328.416 1.484 20 30 EDEDLO C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000186667519 318551475 /nfs/dbraw/zinc/55/14/75/318551475.db2.gz YLPOIUBKIYBOSJ-GJZGRUSLSA-N 1 2 327.428 1.815 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249270645 442962580 /nfs/dbraw/zinc/96/25/80/442962580.db2.gz JBHOTNXDLIHDIO-ILXRZTDVSA-N 1 2 338.473 1.733 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249270645 442962585 /nfs/dbraw/zinc/96/25/85/442962585.db2.gz JBHOTNXDLIHDIO-ILXRZTDVSA-N 1 2 338.473 1.733 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)c1ccccc1F ZINC000268386493 442970450 /nfs/dbraw/zinc/97/04/50/442970450.db2.gz ZKRAGYALBCOWJZ-GUYCJALGSA-N 1 2 341.390 1.731 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)c1ccccc1F ZINC000268386493 442970454 /nfs/dbraw/zinc/97/04/54/442970454.db2.gz ZKRAGYALBCOWJZ-GUYCJALGSA-N 1 2 341.390 1.731 20 30 EDEDLO C=C(C)CN(CC)C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000194991062 442974524 /nfs/dbraw/zinc/97/45/24/442974524.db2.gz GBQQUUAMSVDJQH-UHFFFAOYSA-N 1 2 339.480 1.864 20 30 EDEDLO C=C(C)CS(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000189640337 442988173 /nfs/dbraw/zinc/98/81/73/442988173.db2.gz OTLRKDPLSMINLP-UHFFFAOYSA-N 1 2 337.489 1.646 20 30 EDEDLO N#Cc1ccnc(NCc2cc[nH+]c(N3CCOCC3)c2)c1[N+](=O)[O-] ZINC000268510613 443015374 /nfs/dbraw/zinc/01/53/74/443015374.db2.gz RVDHNRXANPOOJJ-UHFFFAOYSA-N 1 2 340.343 1.705 20 30 EDEDLO N#Cc1ccnc(NCc2ccc(N3CCOCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000268530710 443023022 /nfs/dbraw/zinc/02/30/22/443023022.db2.gz XDXYKZZDTHDPBL-UHFFFAOYSA-N 1 2 340.343 1.705 20 30 EDEDLO C#CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)[C@H]1CCc2ccccc21 ZINC000255358704 443095626 /nfs/dbraw/zinc/09/56/26/443095626.db2.gz PZYHZBNLQLHOEK-PBHICJAKSA-N 1 2 327.428 1.202 20 30 EDEDLO C#CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)[C@H]1CCc2ccccc21 ZINC000255358704 443095628 /nfs/dbraw/zinc/09/56/28/443095628.db2.gz PZYHZBNLQLHOEK-PBHICJAKSA-N 1 2 327.428 1.202 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185090464 443134858 /nfs/dbraw/zinc/13/48/58/443134858.db2.gz UVHIZMSPDRHLRE-JTQLQIEISA-N 1 2 347.350 1.538 20 30 EDEDLO CCOC(=O)[C@@H](C)[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000190813024 443187932 /nfs/dbraw/zinc/18/79/32/443187932.db2.gz JSVFAGFEPQTOOZ-CJNGLKHVSA-N 1 2 332.400 1.714 20 30 EDEDLO CCOC(=O)[C@@H](C)[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000190813024 443187936 /nfs/dbraw/zinc/18/79/36/443187936.db2.gz JSVFAGFEPQTOOZ-CJNGLKHVSA-N 1 2 332.400 1.714 20 30 EDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000191082760 443237086 /nfs/dbraw/zinc/23/70/86/443237086.db2.gz FAJOEECKGBFVFT-UHFFFAOYSA-N 1 2 348.382 1.183 20 30 EDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000191082760 443237091 /nfs/dbraw/zinc/23/70/91/443237091.db2.gz FAJOEECKGBFVFT-UHFFFAOYSA-N 1 2 348.382 1.183 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C(\C)c2ccccc2)CC1 ZINC000264173529 443253485 /nfs/dbraw/zinc/25/34/85/443253485.db2.gz MDRQLKLCLGXQGC-BMRADRMJSA-N 1 2 339.439 1.374 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C(\C)c2ccccc2)CC1 ZINC000264173529 443253488 /nfs/dbraw/zinc/25/34/88/443253488.db2.gz MDRQLKLCLGXQGC-BMRADRMJSA-N 1 2 339.439 1.374 20 30 EDEDLO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185926450 443284977 /nfs/dbraw/zinc/28/49/77/443284977.db2.gz GZJPKYYDIANMSB-MRXNPFEDSA-N 1 2 334.807 1.880 20 30 EDEDLO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185926450 443284978 /nfs/dbraw/zinc/28/49/78/443284978.db2.gz GZJPKYYDIANMSB-MRXNPFEDSA-N 1 2 334.807 1.880 20 30 EDEDLO CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3ccc(C#N)o3)C2)no1 ZINC000269484324 443322587 /nfs/dbraw/zinc/32/25/87/443322587.db2.gz REJYCSQJCGAIDP-ZDUSSCGKSA-N 1 2 343.387 1.720 20 30 EDEDLO CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)no1 ZINC000269484324 443322592 /nfs/dbraw/zinc/32/25/92/443322592.db2.gz REJYCSQJCGAIDP-ZDUSSCGKSA-N 1 2 343.387 1.720 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264626219 443352469 /nfs/dbraw/zinc/35/24/69/443352469.db2.gz SPCCLWMKNIIYMD-UKRRQHHQSA-N 1 2 341.333 1.562 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264626219 443352474 /nfs/dbraw/zinc/35/24/74/443352474.db2.gz SPCCLWMKNIIYMD-UKRRQHHQSA-N 1 2 341.333 1.562 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](Cc3nc(N)c4ccccc4n3)CC2)n1 ZINC000267184740 443371044 /nfs/dbraw/zinc/37/10/44/443371044.db2.gz GECAJPIUKFJDGN-UHFFFAOYSA-N 1 2 345.410 1.801 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267321620 443418113 /nfs/dbraw/zinc/41/81/13/443418113.db2.gz FUWKNTCLQNSMJC-UHFFFAOYSA-N 1 2 337.383 1.935 20 30 EDEDLO C=CCn1c(CC(C)C)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000282761197 443426592 /nfs/dbraw/zinc/42/65/92/443426592.db2.gz ZOOBPQKATJKNMH-UHFFFAOYSA-N 1 2 346.479 1.063 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)OCC ZINC000270182869 443462379 /nfs/dbraw/zinc/46/23/79/443462379.db2.gz NHBZVFZVPAUFEP-CABCVRRESA-N 1 2 347.463 1.975 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)OCC ZINC000270182869 443462382 /nfs/dbraw/zinc/46/23/82/443462382.db2.gz NHBZVFZVPAUFEP-CABCVRRESA-N 1 2 347.463 1.975 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCN(C=O)CC2)c1 ZINC000272961913 443502785 /nfs/dbraw/zinc/50/27/85/443502785.db2.gz PNICMIIRPMFKQA-UHFFFAOYSA-N 1 2 342.443 1.714 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCN(C=O)CC2)c1 ZINC000272961913 443502788 /nfs/dbraw/zinc/50/27/88/443502788.db2.gz PNICMIIRPMFKQA-UHFFFAOYSA-N 1 2 342.443 1.714 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000283012237 443495473 /nfs/dbraw/zinc/49/54/73/443495473.db2.gz OVNWEUBYOUVOMB-LBPRGKRZSA-N 1 2 342.490 1.175 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000283012237 443495474 /nfs/dbraw/zinc/49/54/74/443495474.db2.gz OVNWEUBYOUVOMB-LBPRGKRZSA-N 1 2 342.490 1.175 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273668476 443583917 /nfs/dbraw/zinc/58/39/17/443583917.db2.gz IZQMCNUJQSMGPI-AWEZNQCLSA-N 1 2 333.411 1.327 20 30 EDEDLO C=CCOc1ccc(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)cc1OC ZINC000273928489 443587883 /nfs/dbraw/zinc/58/78/83/443587883.db2.gz HIAFEFKFXXNQOA-AWEZNQCLSA-N 1 2 342.399 1.982 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000275417956 443627233 /nfs/dbraw/zinc/62/72/33/443627233.db2.gz CDRUCYJGNCWIGR-KRWDZBQOSA-N 1 2 336.436 1.383 20 30 EDEDLO CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C ZINC000283467673 443640380 /nfs/dbraw/zinc/64/03/80/443640380.db2.gz JPPLJTLVVMENNN-UHFFFAOYSA-N 1 2 326.404 1.122 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2ccc(F)c(C#N)c2)CCN1C ZINC000286807587 443725577 /nfs/dbraw/zinc/72/55/77/443725577.db2.gz PFYQYCYXYNLIPU-HNNXBMFYSA-N 1 2 327.363 1.560 20 30 EDEDLO Cc1nc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)c(Cl)cc1C#N ZINC000291026040 443735688 /nfs/dbraw/zinc/73/56/88/443735688.db2.gz WQCCAIRVXWQDMI-UHFFFAOYSA-N 1 2 342.790 1.990 20 30 EDEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000298397407 443761564 /nfs/dbraw/zinc/76/15/64/443761564.db2.gz INWFSDRFEVNWGC-MRXNPFEDSA-N 1 2 344.459 1.621 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)c1ccc(C#N)cc1 ZINC000284148272 443767993 /nfs/dbraw/zinc/76/79/93/443767993.db2.gz VODUVSOEGGESIH-IAOVAPTHSA-N 1 2 328.416 1.734 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccc(C#N)cc1 ZINC000284148272 443767994 /nfs/dbraw/zinc/76/79/94/443767994.db2.gz VODUVSOEGGESIH-IAOVAPTHSA-N 1 2 328.416 1.734 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C#N)C1 ZINC000284258815 443770866 /nfs/dbraw/zinc/77/08/66/443770866.db2.gz DDUSLEXEHNCKLK-IHVVCDCBSA-N 1 2 331.376 1.394 20 30 EDEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000284544010 443779171 /nfs/dbraw/zinc/77/91/71/443779171.db2.gz VQNZZIHUYHSBPW-LNSITVRQSA-N 1 2 333.388 1.483 20 30 EDEDLO CC(C)c1ccc(OCCNC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284612988 443781081 /nfs/dbraw/zinc/78/10/81/443781081.db2.gz ZDMNSBRQJAOIGE-INIZCTEOSA-N 1 2 349.431 1.773 20 30 EDEDLO CO[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C[C@@H]1OC ZINC000276814659 443837769 /nfs/dbraw/zinc/83/77/69/443837769.db2.gz DXZAUCMBAGKNTN-HDICACEKSA-N 1 2 345.443 1.896 20 30 EDEDLO CO[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C[C@@H]1OC ZINC000276814659 443837771 /nfs/dbraw/zinc/83/77/71/443837771.db2.gz DXZAUCMBAGKNTN-HDICACEKSA-N 1 2 345.443 1.896 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000285060563 443840688 /nfs/dbraw/zinc/84/06/88/443840688.db2.gz XCODCTQBUJPRTN-KRWDZBQOSA-N 1 2 335.452 1.177 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000285060563 443840690 /nfs/dbraw/zinc/84/06/90/443840690.db2.gz XCODCTQBUJPRTN-KRWDZBQOSA-N 1 2 335.452 1.177 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000298707192 443844773 /nfs/dbraw/zinc/84/47/73/443844773.db2.gz ACKYOQDKYZBWKG-CHWSQXEVSA-N 1 2 349.431 1.845 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277749288 444035923 /nfs/dbraw/zinc/03/59/23/444035923.db2.gz LMFXYCWPQKFEKY-CABCVRRESA-N 1 2 328.478 1.475 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277749288 444035924 /nfs/dbraw/zinc/03/59/24/444035924.db2.gz LMFXYCWPQKFEKY-CABCVRRESA-N 1 2 328.478 1.475 20 30 EDEDLO Cn1cc(N2CC[N@H+](CCCC3(C#N)CCOCC3)CC2=O)cn1 ZINC000281959779 444049455 /nfs/dbraw/zinc/04/94/55/444049455.db2.gz KGVGQGSNNYVELJ-UHFFFAOYSA-N 1 2 331.420 1.169 20 30 EDEDLO Cn1cc(N2CC[N@@H+](CCCC3(C#N)CCOCC3)CC2=O)cn1 ZINC000281959779 444049461 /nfs/dbraw/zinc/04/94/61/444049461.db2.gz KGVGQGSNNYVELJ-UHFFFAOYSA-N 1 2 331.420 1.169 20 30 EDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000299336958 444021773 /nfs/dbraw/zinc/02/17/73/444021773.db2.gz QCJGARQULHPHAX-MRXNPFEDSA-N 1 2 325.412 1.419 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1COc2ccccc2C1 ZINC000299526460 444070704 /nfs/dbraw/zinc/07/07/04/444070704.db2.gz MORSTLIBSFPGEG-KRWDZBQOSA-N 1 2 343.427 1.312 20 30 EDEDLO C#CCOc1ccccc1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277988004 444077779 /nfs/dbraw/zinc/07/77/79/444077779.db2.gz IXVNPDJZVWYABG-UHFFFAOYSA-N 1 2 329.400 1.685 20 30 EDEDLO Cc1cc(N[C@H]2CCN(C(=O)COc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000568503636 321295081 /nfs/dbraw/zinc/29/50/81/321295081.db2.gz AHVXLOKFYMFXNX-INIZCTEOSA-N 1 2 336.395 1.775 20 30 EDEDLO C[N@@H+]1CCc2ncnc(N3CCN(c4ncccc4C#N)CC3)c2C1 ZINC000299633332 444101785 /nfs/dbraw/zinc/10/17/85/444101785.db2.gz TWYDAPVHVKQVDS-UHFFFAOYSA-N 1 2 335.415 1.058 20 30 EDEDLO C[N@H+]1CCc2ncnc(N3CCN(c4ncccc4C#N)CC3)c2C1 ZINC000299633332 444101792 /nfs/dbraw/zinc/10/17/92/444101792.db2.gz TWYDAPVHVKQVDS-UHFFFAOYSA-N 1 2 335.415 1.058 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000294142515 444103390 /nfs/dbraw/zinc/10/33/90/444103390.db2.gz HBCOEEUZKBKSJZ-IRXDYDNUSA-N 1 2 328.416 1.169 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000294142515 444103395 /nfs/dbraw/zinc/10/33/95/444103395.db2.gz HBCOEEUZKBKSJZ-IRXDYDNUSA-N 1 2 328.416 1.169 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)c3ccc[nH]3)CC2)cc1 ZINC000294302161 444110629 /nfs/dbraw/zinc/11/06/29/444110629.db2.gz VEKONNBLNHKAQB-UHFFFAOYSA-N 1 2 336.395 1.804 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)c3ccc[nH]3)CC2)cc1 ZINC000294302161 444110633 /nfs/dbraw/zinc/11/06/33/444110633.db2.gz VEKONNBLNHKAQB-UHFFFAOYSA-N 1 2 336.395 1.804 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000278183167 444111616 /nfs/dbraw/zinc/11/16/16/444111616.db2.gz CYFPFXUPVWZZAC-NVXWUHKLSA-N 1 2 331.416 1.516 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C[C@@H]21 ZINC000285804287 444112743 /nfs/dbraw/zinc/11/27/43/444112743.db2.gz MXGLBAPICIFDFU-IRXDYDNUSA-N 1 2 345.418 1.906 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C[C@@H]21 ZINC000285804287 444112744 /nfs/dbraw/zinc/11/27/44/444112744.db2.gz MXGLBAPICIFDFU-IRXDYDNUSA-N 1 2 345.418 1.906 20 30 EDEDLO C#CC[NH+]1CCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CC1 ZINC000301119012 444146748 /nfs/dbraw/zinc/14/67/48/444146748.db2.gz ZSKHWUMLNDDMLM-UHFFFAOYSA-N 1 2 334.423 1.882 20 30 EDEDLO C[C@@H](C(N)=O)[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301786814 444190468 /nfs/dbraw/zinc/19/04/68/444190468.db2.gz PQXQNFPHNMJAGU-JTQLQIEISA-N 1 2 326.322 1.573 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)nc1N ZINC000576413057 321564669 /nfs/dbraw/zinc/56/46/69/321564669.db2.gz ZTXOEJMSGOBJAT-UHFFFAOYSA-N 1 2 342.447 1.060 20 30 EDEDLO COC(=O)c1cn(C2CCN(c3cc(C)[nH+]c(C)c3C#N)CC2)nn1 ZINC000302107778 444204083 /nfs/dbraw/zinc/20/40/83/444204083.db2.gz ANZINGIRCANUNL-UHFFFAOYSA-N 1 2 340.387 1.790 20 30 EDEDLO C=C[C@H](CO)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000290390598 444274815 /nfs/dbraw/zinc/27/48/15/444274815.db2.gz LLBONJYFBGHIFW-IJEWVQPXSA-N 1 2 333.432 1.964 20 30 EDEDLO C=C[C@H](CO)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000290390598 444274816 /nfs/dbraw/zinc/27/48/16/444274816.db2.gz LLBONJYFBGHIFW-IJEWVQPXSA-N 1 2 333.432 1.964 20 30 EDEDLO CC1(C)CC[N@H+](C[C@@H](O)COc2ccccc2C#N)CC[S@]1=O ZINC000322026296 444338616 /nfs/dbraw/zinc/33/86/16/444338616.db2.gz KEEVPFUKLTZFSD-IQMFZBJNSA-N 1 2 336.457 1.531 20 30 EDEDLO CC1(C)CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC[S@]1=O ZINC000322026296 444338617 /nfs/dbraw/zinc/33/86/17/444338617.db2.gz KEEVPFUKLTZFSD-IQMFZBJNSA-N 1 2 336.457 1.531 20 30 EDEDLO CCn1nncc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000328792933 444354332 /nfs/dbraw/zinc/35/43/32/444354332.db2.gz ZZULHMKHMQSLLV-BETUJISGSA-N 1 2 344.419 1.811 20 30 EDEDLO Cc1cc(=O)c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cn1C1CC1 ZINC000328794353 444355504 /nfs/dbraw/zinc/35/55/04/444355504.db2.gz SKUBTHPQBGJMHA-ZIAGYGMSSA-N 1 2 333.432 1.905 20 30 EDEDLO COCCN1C[C@H](C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1=O ZINC000328806160 444359335 /nfs/dbraw/zinc/35/93/35/444359335.db2.gz LWPFBTGPEHRXBT-ZIAGYGMSSA-N 1 2 334.420 1.520 20 30 EDEDLO CC(=O)Nc1ccccc1CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328856020 444376445 /nfs/dbraw/zinc/37/64/45/444376445.db2.gz CVRITZDIJRQUEY-SJORKVTESA-N 1 2 331.416 1.769 20 30 EDEDLO CC(=O)Nc1ccccc1CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328856020 444376449 /nfs/dbraw/zinc/37/64/49/444376449.db2.gz CVRITZDIJRQUEY-SJORKVTESA-N 1 2 331.416 1.769 20 30 EDEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340221619 444371919 /nfs/dbraw/zinc/37/19/19/444371919.db2.gz IWFOSHAYXBVSDL-GXTWGEPZSA-N 1 2 346.456 1.840 20 30 EDEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340221619 444371922 /nfs/dbraw/zinc/37/19/22/444371922.db2.gz IWFOSHAYXBVSDL-GXTWGEPZSA-N 1 2 346.456 1.840 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(C(F)(F)F)nc3)C[C@H]21 ZINC000328927900 444406227 /nfs/dbraw/zinc/40/62/27/444406227.db2.gz XKHPWNLPHFBXRQ-MNOVXSKESA-N 1 2 330.310 1.661 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(C(F)(F)F)nc3)C[C@H]21 ZINC000328927900 444406232 /nfs/dbraw/zinc/40/62/32/444406232.db2.gz XKHPWNLPHFBXRQ-MNOVXSKESA-N 1 2 330.310 1.661 20 30 EDEDLO O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328936756 444412048 /nfs/dbraw/zinc/41/20/48/444412048.db2.gz JOQJBDKSQKBAEY-ZYHUDNBSSA-N 1 2 344.337 1.955 20 30 EDEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000328936707 444412113 /nfs/dbraw/zinc/41/21/13/444412113.db2.gz GAOFBVMKQDOLKK-SUYBPPKGSA-N 1 2 345.447 1.870 20 30 EDEDLO CC(=O)N1CCC(CNC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000328656578 444417041 /nfs/dbraw/zinc/41/70/41/444417041.db2.gz NZQYKRDKWHWLJK-INIZCTEOSA-N 1 2 347.463 1.831 20 30 EDEDLO CC(C)O[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1(C)C ZINC000328856734 444376941 /nfs/dbraw/zinc/37/69/41/444376941.db2.gz DBJBUBJTQOVOIC-FXUDXRNXSA-N 1 2 339.480 1.897 20 30 EDEDLO CC(C)O[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1(C)C ZINC000328856734 444376945 /nfs/dbraw/zinc/37/69/45/444376945.db2.gz DBJBUBJTQOVOIC-FXUDXRNXSA-N 1 2 339.480 1.897 20 30 EDEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NCC1(CO)COC1 ZINC000328609476 444392635 /nfs/dbraw/zinc/39/26/35/444392635.db2.gz MUINDULLDCZSLV-UHFFFAOYSA-N 1 2 334.420 1.084 20 30 EDEDLO O=C(COc1cccnc1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000328905042 444395735 /nfs/dbraw/zinc/39/57/35/444395735.db2.gz JUIBEVFPLGSXBO-MRXNPFEDSA-N 1 2 337.445 1.625 20 30 EDEDLO O=C(C[N@H+]1CCSC[C@@H]1CCO)NC(=O)NC1CCCCC1 ZINC000331254319 444458847 /nfs/dbraw/zinc/45/88/47/444458847.db2.gz SWCAHJIJESBPNZ-ZDUSSCGKSA-N 1 2 329.466 1.149 20 30 EDEDLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)NC(=O)NC1CCCCC1 ZINC000331254319 444458851 /nfs/dbraw/zinc/45/88/51/444458851.db2.gz SWCAHJIJESBPNZ-ZDUSSCGKSA-N 1 2 329.466 1.149 20 30 EDEDLO CC(C)(C(=O)NC[C@H]1CCn2ncc(C(N)=O)c2C1)[NH+]1CCOCC1 ZINC000328681634 444427587 /nfs/dbraw/zinc/42/75/87/444427587.db2.gz OGWLLBXUCBWPJP-LBPRGKRZSA-N 1 2 349.435 1.396 20 30 EDEDLO Cc1ccccc1CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328983046 444433178 /nfs/dbraw/zinc/43/31/78/444433178.db2.gz SFUKREYFRNRZCV-CVEARBPZSA-N 1 2 330.432 1.796 20 30 EDEDLO Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328983046 444433182 /nfs/dbraw/zinc/43/31/82/444433182.db2.gz SFUKREYFRNRZCV-CVEARBPZSA-N 1 2 330.432 1.796 20 30 EDEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCO[C@]2(CCCOC2)C1 ZINC000329237569 444509115 /nfs/dbraw/zinc/50/91/15/444509115.db2.gz PBJLUHZYXDHFKE-WMLDXEAASA-N 1 2 334.420 1.241 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000329414710 444570365 /nfs/dbraw/zinc/57/03/65/444570365.db2.gz CVYOJUUYDLJNJU-INIZCTEOSA-N 1 2 339.480 1.902 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000329414710 444570368 /nfs/dbraw/zinc/57/03/68/444570368.db2.gz CVYOJUUYDLJNJU-INIZCTEOSA-N 1 2 339.480 1.902 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)C2CCSCC2)CC1 ZINC000329433546 444577727 /nfs/dbraw/zinc/57/77/27/444577727.db2.gz KXWIXESGTICEOV-LBPRGKRZSA-N 1 2 325.478 1.781 20 30 EDEDLO CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000329356637 444548118 /nfs/dbraw/zinc/54/81/18/444548118.db2.gz WHLFOYCSXNDAFB-SJORKVTESA-N 1 2 337.464 1.702 20 30 EDEDLO CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000329356637 444548121 /nfs/dbraw/zinc/54/81/21/444548121.db2.gz WHLFOYCSXNDAFB-SJORKVTESA-N 1 2 337.464 1.702 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000329538701 444619858 /nfs/dbraw/zinc/61/98/58/444619858.db2.gz CCMHFUDCRFEJCO-UHFFFAOYSA-N 1 2 343.435 1.642 20 30 EDEDLO Cn1cc([C@H]2OCCC[C@@H]2[NH+]=C([O-])N[C@@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000329608006 444646343 /nfs/dbraw/zinc/64/63/43/444646343.db2.gz IOYGBMQSPGJXSK-IVMMDQJWSA-N 1 2 344.419 1.424 20 30 EDEDLO Cn1cc([C@H]2OCCC[C@@H]2[NH+]=C([O-])N[C@@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000329608006 444646348 /nfs/dbraw/zinc/64/63/48/444646348.db2.gz IOYGBMQSPGJXSK-IVMMDQJWSA-N 1 2 344.419 1.424 20 30 EDEDLO O=S1(=O)C[C@H](NC([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000329743114 444698882 /nfs/dbraw/zinc/69/88/82/444698882.db2.gz PWHPCTRFEDKYOQ-YGRLFVJLSA-N 1 2 346.412 1.299 20 30 EDEDLO O=S1(=O)C[C@H](NC([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000329743114 444698885 /nfs/dbraw/zinc/69/88/85/444698885.db2.gz PWHPCTRFEDKYOQ-YGRLFVJLSA-N 1 2 346.412 1.299 20 30 EDEDLO C[C@@]1(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CCS(=O)(=O)C1 ZINC000329760806 444706884 /nfs/dbraw/zinc/70/68/84/444706884.db2.gz QQWSYPMMWPZBIY-OAHLLOKOSA-N 1 2 344.477 1.555 20 30 EDEDLO C[C@H]1Oc2ccc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cc2NC1=O ZINC000329781983 444714679 /nfs/dbraw/zinc/71/46/79/444714679.db2.gz NOPGTXXNNJXNML-RIEGTJTDSA-N 1 2 346.387 1.616 20 30 EDEDLO C[C@H]1Oc2ccc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)cc2NC1=O ZINC000329781983 444714684 /nfs/dbraw/zinc/71/46/84/444714684.db2.gz NOPGTXXNNJXNML-RIEGTJTDSA-N 1 2 346.387 1.616 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccnc(C2CC2)c1 ZINC000341151528 444698242 /nfs/dbraw/zinc/69/82/42/444698242.db2.gz FUERRPZLEIDNIH-UHFFFAOYSA-N 1 2 328.416 1.647 20 30 EDEDLO CO[C@H]1C[C@H](c2nncn2C)N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000344042008 444745839 /nfs/dbraw/zinc/74/58/39/444745839.db2.gz YMMDXSOVJRUMOF-LSDHHAIUSA-N 1 2 337.387 1.296 20 30 EDEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCNC(=O)C1 ZINC000329920508 444769422 /nfs/dbraw/zinc/76/94/22/444769422.db2.gz SGVHQGWIPQMBBN-SWLSCSKDSA-N 1 2 327.450 1.517 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@H]2CCCCS2)CCN1C ZINC000329940061 444779080 /nfs/dbraw/zinc/77/90/80/444779080.db2.gz BJBSUDSQTDLVOU-UONOGXRCSA-N 1 2 337.493 1.908 20 30 EDEDLO CC(=O)N1CC(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1 ZINC000329989243 444801961 /nfs/dbraw/zinc/80/19/61/444801961.db2.gz VBRJFPUBDOMNAZ-SFHVURJKSA-N 1 2 345.443 1.803 20 30 EDEDLO C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)N1CCOCC1 ZINC000330078566 444836037 /nfs/dbraw/zinc/83/60/37/444836037.db2.gz IEHPPIDHNFUOSE-GDBMZVCRSA-N 1 2 325.453 1.307 20 30 EDEDLO C[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)N1CCOCC1 ZINC000330078566 444836039 /nfs/dbraw/zinc/83/60/39/444836039.db2.gz IEHPPIDHNFUOSE-GDBMZVCRSA-N 1 2 325.453 1.307 20 30 EDEDLO CN(C)c1nc2cc(NC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)ccc2o1 ZINC000330136030 444857940 /nfs/dbraw/zinc/85/79/40/444857940.db2.gz TXDJRPQQXVYWBS-CYBMUJFWSA-N 1 2 346.435 1.466 20 30 EDEDLO CN(C)c1nc2cc(NC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)ccc2o1 ZINC000330136030 444857942 /nfs/dbraw/zinc/85/79/42/444857942.db2.gz TXDJRPQQXVYWBS-CYBMUJFWSA-N 1 2 346.435 1.466 20 30 EDEDLO CC(C)C(=O)N1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330202278 444886624 /nfs/dbraw/zinc/88/66/24/444886624.db2.gz ZBWFUJUVPYEBBZ-CQSZACIVSA-N 1 2 333.436 1.302 20 30 EDEDLO O=C(Nc1ncn(C2CCCCC2)n1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330252353 444908037 /nfs/dbraw/zinc/90/80/37/444908037.db2.gz OGWXYHURIUGBCD-GFCCVEGCSA-N 1 2 329.408 2.321 20 30 EDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000341590204 444910021 /nfs/dbraw/zinc/91/00/21/444910021.db2.gz UNJGXEJQLAOFKZ-ZDUSSCGKSA-N 1 2 327.363 1.905 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000337097447 444941979 /nfs/dbraw/zinc/94/19/79/444941979.db2.gz SBHUMCQOSFCXLR-CYBMUJFWSA-N 1 2 333.417 1.298 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2cccc3c2OCO3)CCN1C ZINC000330337266 444942212 /nfs/dbraw/zinc/94/22/12/444942212.db2.gz TXCHEUGNNBNGTR-CYBMUJFWSA-N 1 2 343.387 1.683 20 30 EDEDLO C[C@@H](Oc1ccccc1F)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000343041396 445023487 /nfs/dbraw/zinc/02/34/87/445023487.db2.gz YGEVWHOVWIFOAQ-OAHLLOKOSA-N 1 2 349.406 1.667 20 30 EDEDLO C=CCNC(=O)NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000337372821 445052643 /nfs/dbraw/zinc/05/26/43/445052643.db2.gz POAQIJYYFZGZKV-TWGQIWQCSA-N 1 2 342.443 1.329 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330655020 445081445 /nfs/dbraw/zinc/08/14/45/445081445.db2.gz MINKENKBVQXQDH-YRBFXIGRSA-N 1 2 335.448 1.847 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000330655020 445081448 /nfs/dbraw/zinc/08/14/48/445081448.db2.gz MINKENKBVQXQDH-YRBFXIGRSA-N 1 2 335.448 1.847 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337503769 445108727 /nfs/dbraw/zinc/10/87/27/445108727.db2.gz DDZLARLZVXCBPD-IJEWVQPXSA-N 1 2 343.493 1.328 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337503769 445108729 /nfs/dbraw/zinc/10/87/29/445108729.db2.gz DDZLARLZVXCBPD-IJEWVQPXSA-N 1 2 343.493 1.328 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000341996006 445113452 /nfs/dbraw/zinc/11/34/52/445113452.db2.gz URRYHDFVJYMVLJ-UHFFFAOYSA-N 1 2 345.399 1.664 20 30 EDEDLO CC[C@@H](C)N(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330885569 445181502 /nfs/dbraw/zinc/18/15/02/445181502.db2.gz LWHKSJYXPIJNJW-CYBMUJFWSA-N 1 2 333.436 1.745 20 30 EDEDLO C=CCCS(=O)(=O)NC[C@H]1OCC[N@@H+](CC)[C@@H]1c1ccccc1 ZINC000343488241 445232430 /nfs/dbraw/zinc/23/24/30/445232430.db2.gz JCJOOLMIDYUYHT-IAGOWNOFSA-N 1 2 338.473 1.944 20 30 EDEDLO C=CCCS(=O)(=O)NC[C@H]1OCC[N@H+](CC)[C@@H]1c1ccccc1 ZINC000343488241 445232432 /nfs/dbraw/zinc/23/24/32/445232432.db2.gz JCJOOLMIDYUYHT-IAGOWNOFSA-N 1 2 338.473 1.944 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1CC(=O)OC ZINC000347454400 445238847 /nfs/dbraw/zinc/23/88/47/445238847.db2.gz RMCKUKMMSIPCHR-IAGOWNOFSA-N 1 2 349.427 1.419 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1CC(=O)OC ZINC000347454400 445238849 /nfs/dbraw/zinc/23/88/49/445238849.db2.gz RMCKUKMMSIPCHR-IAGOWNOFSA-N 1 2 349.427 1.419 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C[NH+]1CCOCC1)n1cnc(C#N)n1 ZINC000356965958 445351501 /nfs/dbraw/zinc/35/15/01/445351501.db2.gz MCWHJVYAXMEJNY-CYBMUJFWSA-N 1 2 340.387 1.182 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000357086544 445417887 /nfs/dbraw/zinc/41/78/87/445417887.db2.gz JMVZIEXPNCEKNA-QGZVFWFLSA-N 1 2 327.428 1.338 20 30 EDEDLO C=CCNC(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000357086544 445417892 /nfs/dbraw/zinc/41/78/92/445417892.db2.gz JMVZIEXPNCEKNA-QGZVFWFLSA-N 1 2 327.428 1.338 20 30 EDEDLO CO[C@H]1CCC[C@H](CC(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000355455840 445461615 /nfs/dbraw/zinc/46/16/15/445461615.db2.gz KEBQDBYTELWXGH-IRXDYDNUSA-N 1 2 337.464 1.656 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000352454234 445531012 /nfs/dbraw/zinc/53/10/12/445531012.db2.gz JUJBJIIXWQUDRG-IBGZPJMESA-N 1 2 348.491 1.910 20 30 EDEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1COC[C@H]1O ZINC000352814291 445557622 /nfs/dbraw/zinc/55/76/22/445557622.db2.gz GYGUWDPCGRYMOJ-FUHWJXTLSA-N 1 2 327.384 1.429 20 30 EDEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1COC[C@H]1O ZINC000352814291 445557627 /nfs/dbraw/zinc/55/76/27/445557627.db2.gz GYGUWDPCGRYMOJ-FUHWJXTLSA-N 1 2 327.384 1.429 20 30 EDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000352881373 445562302 /nfs/dbraw/zinc/56/23/02/445562302.db2.gz ZEPIZKBNQYXGOW-GFCCVEGCSA-N 1 2 335.404 1.527 20 30 EDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000352881373 445562305 /nfs/dbraw/zinc/56/23/05/445562305.db2.gz ZEPIZKBNQYXGOW-GFCCVEGCSA-N 1 2 335.404 1.527 20 30 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445577485 /nfs/dbraw/zinc/57/74/85/445577485.db2.gz ICLOOGPRZRINRQ-VHSXEESVSA-N 1 2 335.326 1.078 20 30 EDEDLO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)N1CCCCCC1 ZINC000353171705 445578037 /nfs/dbraw/zinc/57/80/37/445578037.db2.gz MNTDKLFLDJNVRY-GOSISDBHSA-N 1 2 336.480 1.765 20 30 EDEDLO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(=O)N1CCCCCC1 ZINC000353171705 445578040 /nfs/dbraw/zinc/57/80/40/445578040.db2.gz MNTDKLFLDJNVRY-GOSISDBHSA-N 1 2 336.480 1.765 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000352551442 445537477 /nfs/dbraw/zinc/53/74/77/445537477.db2.gz XVUUJPBUDOXLFF-KSSFIOAISA-N 1 2 329.448 1.952 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000352551442 445537481 /nfs/dbraw/zinc/53/74/81/445537481.db2.gz XVUUJPBUDOXLFF-KSSFIOAISA-N 1 2 329.448 1.952 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000353495445 445628276 /nfs/dbraw/zinc/62/82/76/445628276.db2.gz NXDCAFACGPHZBG-UHFFFAOYSA-N 1 2 341.415 1.301 20 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EDEDLO Cc1cc(NCc2ccccc2S(=O)(=O)N(C)C)c(C#N)c[nH+]1 ZINC000425203217 447060347 /nfs/dbraw/zinc/06/03/47/447060347.db2.gz DWCVNRBLIBKLTE-UHFFFAOYSA-N 1 2 330.413 1.546 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444793200 447137792 /nfs/dbraw/zinc/13/77/92/447137792.db2.gz GWDTVPUTGINXCI-YCPHGPKFSA-N 1 2 343.493 1.328 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444793200 447137799 /nfs/dbraw/zinc/13/77/99/447137799.db2.gz GWDTVPUTGINXCI-YCPHGPKFSA-N 1 2 343.493 1.328 20 30 EDEDLO C=CCNC(=O)CN1CCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000455488465 447142482 /nfs/dbraw/zinc/14/24/82/447142482.db2.gz UYRIDIWVSNAKFD-UHFFFAOYSA-N 1 2 345.447 1.459 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000425462563 447174970 /nfs/dbraw/zinc/17/49/70/447174970.db2.gz FIOBGYIVNMUSDO-GJZGRUSLSA-N 1 2 330.432 1.981 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000425462563 447174974 /nfs/dbraw/zinc/17/49/74/447174974.db2.gz FIOBGYIVNMUSDO-GJZGRUSLSA-N 1 2 330.432 1.981 20 30 EDEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCCNC1=O ZINC000368891183 447184497 /nfs/dbraw/zinc/18/44/97/447184497.db2.gz AJPLLZQASUGMTP-INIZCTEOSA-N 1 2 328.416 1.534 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCCNC1=O ZINC000368891183 447184499 /nfs/dbraw/zinc/18/44/99/447184499.db2.gz AJPLLZQASUGMTP-INIZCTEOSA-N 1 2 328.416 1.534 20 30 EDEDLO N#C[C@@H]1C[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)C[C@]12C(=O)Nc1ccccc12 ZINC000368894472 447186259 /nfs/dbraw/zinc/18/62/59/447186259.db2.gz LYFSNXFQHUXLDH-VPZZIHKRSA-N 1 2 337.379 1.428 20 30 EDEDLO N#C[C@@H]1C[N@H+](C[C@H]2CC3(CC3)C(=O)O2)C[C@]12C(=O)Nc1ccccc12 ZINC000368894472 447186263 /nfs/dbraw/zinc/18/62/63/447186263.db2.gz LYFSNXFQHUXLDH-VPZZIHKRSA-N 1 2 337.379 1.428 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000372660726 447211473 /nfs/dbraw/zinc/21/14/73/447211473.db2.gz RHJBMLRFMLSNPR-VXGBXAGGSA-N 1 2 337.401 1.211 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000372660726 447211478 /nfs/dbraw/zinc/21/14/78/447211478.db2.gz RHJBMLRFMLSNPR-VXGBXAGGSA-N 1 2 337.401 1.211 20 30 EDEDLO N#CC1(C(=O)NC2CC[NH+](Cc3cscn3)CC2)CCOCC1 ZINC000377616646 447247186 /nfs/dbraw/zinc/24/71/86/447247186.db2.gz UGMDOGXFIJBXOI-UHFFFAOYSA-N 1 2 334.445 1.544 20 30 EDEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccn(CCC#N)n1)C2 ZINC000376057620 447241602 /nfs/dbraw/zinc/24/16/02/447241602.db2.gz QRCLMWKFXWVTNA-LBPRGKRZSA-N 1 2 326.404 2.387 20 30 EDEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccn(CCC#N)n1)CC2 ZINC000376057620 447241606 /nfs/dbraw/zinc/24/16/06/447241606.db2.gz QRCLMWKFXWVTNA-LBPRGKRZSA-N 1 2 326.404 2.387 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000414101036 447274426 /nfs/dbraw/zinc/27/44/26/447274426.db2.gz BMAFWMFBITYQPL-INIZCTEOSA-N 1 2 336.395 1.756 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000414101036 447274427 /nfs/dbraw/zinc/27/44/27/447274427.db2.gz BMAFWMFBITYQPL-INIZCTEOSA-N 1 2 336.395 1.756 20 30 EDEDLO COC(=O)c1cc2ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc2o1 ZINC000414129085 447276059 /nfs/dbraw/zinc/27/60/59/447276059.db2.gz UGJMSKKTIYHNPJ-ZDUSSCGKSA-N 1 2 332.356 1.805 20 30 EDEDLO COC(=O)c1cc2ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc2o1 ZINC000414129085 447276065 /nfs/dbraw/zinc/27/60/65/447276065.db2.gz UGJMSKKTIYHNPJ-ZDUSSCGKSA-N 1 2 332.356 1.805 20 30 EDEDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000495643059 447540454 /nfs/dbraw/zinc/54/04/54/447540454.db2.gz WNLZUYWVOKUHGT-CQSZACIVSA-N 1 2 336.436 1.540 20 30 EDEDLO CNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000495643059 447540461 /nfs/dbraw/zinc/54/04/61/447540461.db2.gz WNLZUYWVOKUHGT-CQSZACIVSA-N 1 2 336.436 1.540 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451207302 447705785 /nfs/dbraw/zinc/70/57/85/447705785.db2.gz KEEBWAGLCXNAHE-CQSZACIVSA-N 1 2 342.443 1.758 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451207302 447705787 /nfs/dbraw/zinc/70/57/87/447705787.db2.gz KEEBWAGLCXNAHE-CQSZACIVSA-N 1 2 342.443 1.758 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451257081 447714446 /nfs/dbraw/zinc/71/44/46/447714446.db2.gz GAWOYEDSMCRZOP-NEWSRXKRSA-N 1 2 347.434 1.841 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451257081 447714449 /nfs/dbraw/zinc/71/44/49/447714449.db2.gz GAWOYEDSMCRZOP-NEWSRXKRSA-N 1 2 347.434 1.841 20 30 EDEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451993201 447797865 /nfs/dbraw/zinc/79/78/65/447797865.db2.gz MSOMFUAKHFMACY-OAHLLOKOSA-N 1 2 329.404 1.232 20 30 EDEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451993201 447797869 /nfs/dbraw/zinc/79/78/69/447797869.db2.gz MSOMFUAKHFMACY-OAHLLOKOSA-N 1 2 329.404 1.232 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451999594 447799437 /nfs/dbraw/zinc/79/94/37/447799437.db2.gz UPTHBDPKGCKFOI-BBRMVZONSA-N 1 2 343.431 1.621 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451999594 447799440 /nfs/dbraw/zinc/79/94/40/447799440.db2.gz UPTHBDPKGCKFOI-BBRMVZONSA-N 1 2 343.431 1.621 20 30 EDEDLO C#CCN(CC#CC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000490853475 447899911 /nfs/dbraw/zinc/89/99/11/447899911.db2.gz ROVMOHLVSZAAQX-UHFFFAOYSA-N 1 2 339.439 1.416 20 30 EDEDLO C#CCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)C1CCCC1 ZINC000491277702 447980864 /nfs/dbraw/zinc/98/08/64/447980864.db2.gz PODFDUWJDJAAKD-KRWDZBQOSA-N 1 2 344.459 1.888 20 30 EDEDLO C#CCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)C1CCCC1 ZINC000491277702 447980867 /nfs/dbraw/zinc/98/08/67/447980867.db2.gz PODFDUWJDJAAKD-KRWDZBQOSA-N 1 2 344.459 1.888 20 30 EDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000491263784 447974206 /nfs/dbraw/zinc/97/42/06/447974206.db2.gz BYHYKYNZNRQLGE-MRXNPFEDSA-N 1 2 325.412 1.315 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)CCC1 ZINC000496922652 448039392 /nfs/dbraw/zinc/03/93/92/448039392.db2.gz FGEIKMXYDZVGFN-CQSZACIVSA-N 1 2 334.420 1.292 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)CCC1 ZINC000496922652 448039397 /nfs/dbraw/zinc/03/93/97/448039397.db2.gz FGEIKMXYDZVGFN-CQSZACIVSA-N 1 2 334.420 1.292 20 30 EDEDLO N#C[C@@H]1N(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCC[C@]12CCCCO2 ZINC000570732529 448057566 /nfs/dbraw/zinc/05/75/66/448057566.db2.gz LYIVIUMKLPFLFR-QILLFSRXSA-N 1 2 328.416 1.899 20 30 EDEDLO C#C[C@H](CCC)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000491566254 448058856 /nfs/dbraw/zinc/05/88/56/448058856.db2.gz FMNRVZVYZBIYGB-MRXNPFEDSA-N 1 2 334.464 1.032 20 30 EDEDLO C#CCNC(=O)C1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000491658469 448075548 /nfs/dbraw/zinc/07/55/48/448075548.db2.gz KFPZOYDHJALDRP-UHFFFAOYSA-N 1 2 338.411 1.173 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000555482753 448078301 /nfs/dbraw/zinc/07/83/01/448078301.db2.gz JURRMJKDDJMWOS-AEFFLSMTSA-N 1 2 331.416 1.818 20 30 EDEDLO Cc1cccc(N2C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC2=O)c1C ZINC000555482930 448078325 /nfs/dbraw/zinc/07/83/25/448078325.db2.gz NXZOWFCFRVMQNS-DNVCBOLYSA-N 1 2 342.443 1.616 20 30 EDEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000497080160 448182337 /nfs/dbraw/zinc/18/23/37/448182337.db2.gz SYJDYYWJDJCHGA-PBHICJAKSA-N 1 2 336.436 1.395 20 30 EDEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000497080160 448182344 /nfs/dbraw/zinc/18/23/44/448182344.db2.gz SYJDYYWJDJCHGA-PBHICJAKSA-N 1 2 336.436 1.395 20 30 EDEDLO CC1CC(C#N)(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1 ZINC000532069103 448193452 /nfs/dbraw/zinc/19/34/52/448193452.db2.gz DAVGBOWLUYTQJX-FVRSWCFKSA-N 1 2 328.416 1.863 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000571508821 448164187 /nfs/dbraw/zinc/16/41/87/448164187.db2.gz HFZXXPOXNSGSOP-GOSISDBHSA-N 1 2 327.432 1.538 20 30 EDEDLO COc1ccc(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)nc1 ZINC000492472728 448220500 /nfs/dbraw/zinc/22/05/00/448220500.db2.gz LNEGKOYIOJYQAW-GQCTYLIASA-N 1 2 344.415 1.178 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(C#N)c(SC)[nH]c2=O)[C@@H](C)C1 ZINC000571939663 448241851 /nfs/dbraw/zinc/24/18/51/448241851.db2.gz QRRWZMVWNMBKIB-PHIMTYICSA-N 1 2 334.445 1.935 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(C#N)c(SC)[nH]c2=O)[C@@H](C)C1 ZINC000571939663 448241854 /nfs/dbraw/zinc/24/18/54/448241854.db2.gz QRRWZMVWNMBKIB-PHIMTYICSA-N 1 2 334.445 1.935 20 30 EDEDLO CC(=O)CCc1ccc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000563220509 448291560 /nfs/dbraw/zinc/29/15/60/448291560.db2.gz PSNAOIJLVAGISR-SFHVURJKSA-N 1 2 331.416 1.547 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nncn1-c1ccccc1F ZINC000563343045 448296750 /nfs/dbraw/zinc/29/67/50/448296750.db2.gz QYDYWVAKGOFUGF-GFCCVEGCSA-N 1 2 335.408 1.705 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nncn1-c1ccccc1F ZINC000563343045 448296758 /nfs/dbraw/zinc/29/67/58/448296758.db2.gz QYDYWVAKGOFUGF-GFCCVEGCSA-N 1 2 335.408 1.705 20 30 EDEDLO C=CCc1ccc(OCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(OC)c1 ZINC000565894303 448384212 /nfs/dbraw/zinc/38/42/12/448384212.db2.gz HIHMIZMJXAWMQN-SFHVURJKSA-N 1 2 331.416 1.763 20 30 EDEDLO C[C@H](Oc1cnc2ccccc2c1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000582968481 448392003 /nfs/dbraw/zinc/39/20/03/448392003.db2.gz RYWMDUXEYVOAFK-UGSOOPFHSA-N 1 2 326.400 1.962 20 30 EDEDLO COCCOc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c(Cl)c1 ZINC000583028612 448407201 /nfs/dbraw/zinc/40/72/01/448407201.db2.gz SJKRCNCHTYBAPK-MRXNPFEDSA-N 1 2 339.823 1.939 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000572603091 448420217 /nfs/dbraw/zinc/42/02/17/448420217.db2.gz SMNVJYJKICRVCY-AWEZNQCLSA-N 1 2 327.388 1.907 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000572603091 448420219 /nfs/dbraw/zinc/42/02/19/448420219.db2.gz SMNVJYJKICRVCY-AWEZNQCLSA-N 1 2 327.388 1.907 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc2c1CCO2 ZINC000583121449 448423791 /nfs/dbraw/zinc/42/37/91/448423791.db2.gz YKOJIHAAGOSCDZ-UHFFFAOYSA-N 1 2 344.415 1.701 20 30 EDEDLO COc1ccc(C[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC ZINC000566308581 448441657 /nfs/dbraw/zinc/44/16/57/448441657.db2.gz IZACYRIKGKQRQR-FZKQIMNGSA-N 1 2 333.432 1.842 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000516654293 448458034 /nfs/dbraw/zinc/45/80/34/448458034.db2.gz MBRQRYALGPGHSW-QFBILLFUSA-N 1 2 342.443 1.499 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000566443328 448471955 /nfs/dbraw/zinc/47/19/55/448471955.db2.gz ZPZBSJUPEVIIND-CRAIPNDOSA-N 1 2 337.427 1.825 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000566443328 448471957 /nfs/dbraw/zinc/47/19/57/448471957.db2.gz ZPZBSJUPEVIIND-CRAIPNDOSA-N 1 2 337.427 1.825 20 30 EDEDLO COc1ccc(CN2CC[C@@H](Nc3cc(C)[nH+]cc3C#N)C2=O)cc1 ZINC000591820148 448497870 /nfs/dbraw/zinc/49/78/70/448497870.db2.gz DHZGGUSXRVEKDM-QGZVFWFLSA-N 1 2 336.395 1.905 20 30 EDEDLO Cc1nnc([C@@H]2CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)[nH]1 ZINC000528527199 448569764 /nfs/dbraw/zinc/56/97/64/448569764.db2.gz RYWYGVXFOLEVMI-CQSZACIVSA-N 1 2 349.394 1.202 20 30 EDEDLO Cc1nnc([C@@H]2CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)[nH]1 ZINC000528527199 448569773 /nfs/dbraw/zinc/56/97/73/448569773.db2.gz RYWYGVXFOLEVMI-CQSZACIVSA-N 1 2 349.394 1.202 20 30 EDEDLO Cc1n[nH]c([C@@H]2CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000528527199 448569782 /nfs/dbraw/zinc/56/97/82/448569782.db2.gz RYWYGVXFOLEVMI-CQSZACIVSA-N 1 2 349.394 1.202 20 30 EDEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000528527199 448569789 /nfs/dbraw/zinc/56/97/89/448569789.db2.gz RYWYGVXFOLEVMI-CQSZACIVSA-N 1 2 349.394 1.202 20 30 EDEDLO Cc1nc([C@@H]2CC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)n[nH]1 ZINC000528527199 448569798 /nfs/dbraw/zinc/56/97/98/448569798.db2.gz RYWYGVXFOLEVMI-CQSZACIVSA-N 1 2 349.394 1.202 20 30 EDEDLO Cc1nc([C@@H]2CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)n[nH]1 ZINC000528527199 448569804 /nfs/dbraw/zinc/56/98/04/448569804.db2.gz RYWYGVXFOLEVMI-CQSZACIVSA-N 1 2 349.394 1.202 20 30 EDEDLO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2C#N)[C@@H]2COC[C@H]2O1 ZINC000528532903 448572846 /nfs/dbraw/zinc/57/28/46/448572846.db2.gz BNNLKPRCPRFDBB-BFYDXBDKSA-N 1 2 332.400 1.176 20 30 EDEDLO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2C#N)[C@@H]2COC[C@H]2O1 ZINC000528532903 448572851 /nfs/dbraw/zinc/57/28/51/448572851.db2.gz BNNLKPRCPRFDBB-BFYDXBDKSA-N 1 2 332.400 1.176 20 30 EDEDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000528628923 448610400 /nfs/dbraw/zinc/61/04/00/448610400.db2.gz XCMZHLHVWYFUCW-OAHLLOKOSA-N 1 2 330.432 1.618 20 30 EDEDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000528628923 448610406 /nfs/dbraw/zinc/61/04/06/448610406.db2.gz XCMZHLHVWYFUCW-OAHLLOKOSA-N 1 2 330.432 1.618 20 30 EDEDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000578585837 448584332 /nfs/dbraw/zinc/58/43/32/448584332.db2.gz XYMGDFSAMCCSIR-LSDHHAIUSA-N 1 2 329.448 1.769 20 30 EDEDLO CCOCCCNC(=O)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592059332 448654852 /nfs/dbraw/zinc/65/48/52/448654852.db2.gz IERNWUYPDJGYLG-UHFFFAOYSA-N 1 2 330.432 1.708 20 30 EDEDLO N#CCC1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000541976160 448705651 /nfs/dbraw/zinc/70/56/51/448705651.db2.gz OMHUTHPAPBKALI-UHFFFAOYSA-N 1 2 327.432 1.356 20 30 EDEDLO COc1cccc2sc(NC(=O)C[N@@H+]3CC[C@@](O)(CC#N)C3)nc21 ZINC000592150400 448711770 /nfs/dbraw/zinc/71/17/70/448711770.db2.gz BRLVFTCXZOVVJK-INIZCTEOSA-N 1 2 346.412 1.594 20 30 EDEDLO COc1cccc2sc(NC(=O)C[N@H+]3CC[C@@](O)(CC#N)C3)nc21 ZINC000592150400 448711773 /nfs/dbraw/zinc/71/17/73/448711773.db2.gz BRLVFTCXZOVVJK-INIZCTEOSA-N 1 2 346.412 1.594 20 30 EDEDLO Cc1nc(-c2ncccn2)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000567740549 448750381 /nfs/dbraw/zinc/75/03/81/448750381.db2.gz ZVXZYNIIQOZHBY-OAHLLOKOSA-N 1 2 330.417 1.482 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)c1 ZINC000568068615 448811197 /nfs/dbraw/zinc/81/11/97/448811197.db2.gz NFXFCUAZWDTAGS-UHFFFAOYSA-N 1 2 348.428 1.539 20 30 EDEDLO C=CCOCc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000546471045 448827134 /nfs/dbraw/zinc/82/71/34/448827134.db2.gz ZSXJPHZXANNBMK-UHFFFAOYSA-N 1 2 343.387 1.222 20 30 EDEDLO C=CCC[C@H]1NC(=O)N(Cc2ccc[nH+]c2N2CCOCC2)C1=O ZINC000580883279 448960086 /nfs/dbraw/zinc/96/00/86/448960086.db2.gz HONHVZIVHQCEOC-CQSZACIVSA-N 1 2 330.388 1.305 20 30 EDEDLO C[C@@H]1CCCN(c2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccn2)C1 ZINC000569609602 449057429 /nfs/dbraw/zinc/05/74/29/449057429.db2.gz UMKUXEGUHKFTRE-RDTXWAMCSA-N 1 2 329.448 1.892 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595628506 449089929 /nfs/dbraw/zinc/08/99/29/449089929.db2.gz GTEIKRYSPWCCCF-NEPJUHHUSA-N 1 2 349.353 1.422 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595628506 449089933 /nfs/dbraw/zinc/08/99/33/449089933.db2.gz GTEIKRYSPWCCCF-NEPJUHHUSA-N 1 2 349.353 1.422 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1C#N ZINC000548729188 449092724 /nfs/dbraw/zinc/09/27/24/449092724.db2.gz UWESBQNXAMDOSE-UHFFFAOYSA-N 1 2 341.411 1.789 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c1C#N ZINC000548729188 449092728 /nfs/dbraw/zinc/09/27/28/449092728.db2.gz UWESBQNXAMDOSE-UHFFFAOYSA-N 1 2 341.411 1.789 20 30 EDEDLO CN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@@H]1CCC[C@H]1C#N ZINC000601819537 449167557 /nfs/dbraw/zinc/16/75/57/449167557.db2.gz QNDJKHCBYIMZPF-DOTOQJQBSA-N 1 2 328.416 1.678 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c(SC)[nH]c1=O)C1CC[NH+](C)CC1 ZINC000599986201 449138314 /nfs/dbraw/zinc/13/83/14/449138314.db2.gz QPWCAKHKXZDJJL-UHFFFAOYSA-N 1 2 334.445 1.937 20 30 EDEDLO N#CC[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000597903396 449138378 /nfs/dbraw/zinc/13/83/78/449138378.db2.gz IPSNWFSJKKGDDN-OAHLLOKOSA-N 1 2 328.416 1.680 20 30 EDEDLO N#CC1(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC1 ZINC000597930837 449146909 /nfs/dbraw/zinc/14/69/09/449146909.db2.gz MVMJQKARQGHJIE-SJORKVTESA-N 1 2 325.412 1.792 20 30 EDEDLO N#CC1(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC1 ZINC000597930837 449146912 /nfs/dbraw/zinc/14/69/12/449146912.db2.gz MVMJQKARQGHJIE-SJORKVTESA-N 1 2 325.412 1.792 20 30 EDEDLO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1nnc2n1CCCCC2 ZINC000595806540 449178765 /nfs/dbraw/zinc/17/87/65/449178765.db2.gz UXSXGKHZGWUKGT-KBPBESRZSA-N 1 2 332.452 1.806 20 30 EDEDLO N#Cc1nc(NCc2ccc(N3CCOCC3)[nH+]c2)sc1Cl ZINC000590571779 449196408 /nfs/dbraw/zinc/19/64/08/449196408.db2.gz HPBISXVFPQNRJJ-UHFFFAOYSA-N 1 2 335.820 2.512 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[NH+]2CCN(CCC#N)CC2)cc1F ZINC000611175168 449201215 /nfs/dbraw/zinc/20/12/15/449201215.db2.gz UZJVELVYIMIODM-UHFFFAOYSA-N 1 2 348.422 1.324 20 30 EDEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000595839022 449201415 /nfs/dbraw/zinc/20/14/15/449201415.db2.gz GEZGNZZLLXRREL-SFHVURJKSA-N 1 2 332.448 1.083 20 30 EDEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000595839022 449201417 /nfs/dbraw/zinc/20/14/17/449201417.db2.gz GEZGNZZLLXRREL-SFHVURJKSA-N 1 2 332.448 1.083 20 30 EDEDLO N#Cc1ccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)nn1 ZINC000611240864 449233592 /nfs/dbraw/zinc/23/35/92/449233592.db2.gz KLCMGTQTSVBZDF-MRXNPFEDSA-N 1 2 343.818 1.857 20 30 EDEDLO CN1CCCC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1=O ZINC000601968156 449249834 /nfs/dbraw/zinc/24/98/34/449249834.db2.gz CPCFMUUQYBASLY-KRWDZBQOSA-N 1 2 342.443 1.876 20 30 EDEDLO CN1CCCC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1=O ZINC000601968156 449249839 /nfs/dbraw/zinc/24/98/39/449249839.db2.gz CPCFMUUQYBASLY-KRWDZBQOSA-N 1 2 342.443 1.876 20 30 EDEDLO C=C(C)[C@H](CO)[NH+]1CCN(c2ncc(C(=O)OCC)s2)CC1 ZINC000590698115 449251150 /nfs/dbraw/zinc/25/11/50/449251150.db2.gz ZDMYUGDZYLSIJT-LBPRGKRZSA-N 1 2 325.434 1.379 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2CCCCN(C)C2=O)c(C#N)c1C ZINC000601972403 449254468 /nfs/dbraw/zinc/25/44/68/449254468.db2.gz ZSZGERODCOVAPM-CQSZACIVSA-N 1 2 332.404 1.649 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H]2CCCCN(C)C2=O)c(C#N)c1C ZINC000601972403 449254472 /nfs/dbraw/zinc/25/44/72/449254472.db2.gz ZSZGERODCOVAPM-CQSZACIVSA-N 1 2 332.404 1.649 20 30 EDEDLO CCCCNC(=O)C[NH+]1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000611370962 449273749 /nfs/dbraw/zinc/27/37/49/449273749.db2.gz SVICHYHVTHXYML-UHFFFAOYSA-N 1 2 332.423 1.731 20 30 EDEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCC3(C#N)CCCC3)C2)CC1 ZINC000593427524 449279884 /nfs/dbraw/zinc/27/98/84/449279884.db2.gz NBYVCMQKZBBMEE-INIZCTEOSA-N 1 2 333.480 1.492 20 30 EDEDLO Cc1ccc(C#N)nc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000611398824 449280077 /nfs/dbraw/zinc/28/00/77/449280077.db2.gz HGQLXHQFNLXFAG-UHFFFAOYSA-N 1 2 334.387 1.265 20 30 EDEDLO Cc1csc(NC(=O)N(CCO)CC[NH+]2CCOCC2)c1C#N ZINC000594107768 449356668 /nfs/dbraw/zinc/35/66/68/449356668.db2.gz LLRBNSMZWNPTJV-UHFFFAOYSA-N 1 2 338.433 1.087 20 30 EDEDLO N#CC1(CC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCOCC1 ZINC000598342520 449356845 /nfs/dbraw/zinc/35/68/45/449356845.db2.gz JYBIPDCEEGXSGU-UHFFFAOYSA-N 1 2 335.448 1.268 20 30 EDEDLO CC(C)(C#N)CC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000598364449 449363543 /nfs/dbraw/zinc/36/35/43/449363543.db2.gz PJZLLMZTFOFYJR-LJQANCHMSA-N 1 2 345.443 1.306 20 30 EDEDLO CC(C)(C#N)CC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000598364449 449363547 /nfs/dbraw/zinc/36/35/47/449363547.db2.gz PJZLLMZTFOFYJR-LJQANCHMSA-N 1 2 345.443 1.306 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552763 449333499 /nfs/dbraw/zinc/33/34/99/449333499.db2.gz KMGQPLKOBRIMKK-APWZRJJASA-N 1 2 346.450 1.729 20 30 EDEDLO C=CCSCCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000596215245 449420137 /nfs/dbraw/zinc/42/01/37/449420137.db2.gz PYOBYIUMEOQWPK-GFCCVEGCSA-N 1 2 326.466 1.698 20 30 EDEDLO Cc1cn2c([nH+]1)CN(C[C@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000611802271 449427019 /nfs/dbraw/zinc/42/70/19/449427019.db2.gz ZJIUAYJPYAPGOO-INIZCTEOSA-N 1 2 326.400 1.513 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+]C[C@@H](n2cccn2)C(F)(F)F)C(N)=O)cc1 ZINC000600603858 449457165 /nfs/dbraw/zinc/45/71/65/449457165.db2.gz VGIAUVCVVLTZMA-CHWSQXEVSA-N 1 2 337.305 1.674 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)c3n2CCCC3)C1=O ZINC000598672191 449533269 /nfs/dbraw/zinc/53/32/69/449533269.db2.gz MIEXOJPQZCBUSJ-QGZVFWFLSA-N 1 2 345.443 1.830 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)c3n2CCCC3)C1=O ZINC000598672191 449533273 /nfs/dbraw/zinc/53/32/73/449533273.db2.gz MIEXOJPQZCBUSJ-QGZVFWFLSA-N 1 2 345.443 1.830 20 30 EDEDLO Cc1nc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)n(-c2ccc(C#N)cc2)n1 ZINC000598685542 449542504 /nfs/dbraw/zinc/54/25/04/449542504.db2.gz MSYLZSKJLVKJTG-ZDUSSCGKSA-N 1 2 347.382 1.336 20 30 EDEDLO Cc1nc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)n(-c2ccc(C#N)cc2)n1 ZINC000598685542 449542511 /nfs/dbraw/zinc/54/25/11/449542511.db2.gz MSYLZSKJLVKJTG-ZDUSSCGKSA-N 1 2 347.382 1.336 20 30 EDEDLO COC(=O)[C@H](NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000594556275 449574161 /nfs/dbraw/zinc/57/41/61/449574161.db2.gz LMGKPCOPUPVUPW-OIPACUDHSA-N 1 2 345.443 1.860 20 30 EDEDLO COC(=O)[C@H](NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000594556275 449574165 /nfs/dbraw/zinc/57/41/65/449574165.db2.gz LMGKPCOPUPVUPW-OIPACUDHSA-N 1 2 345.443 1.860 20 30 EDEDLO COc1ccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1O ZINC000601023425 449659116 /nfs/dbraw/zinc/65/91/16/449659116.db2.gz HLLIJSMBMMWAHQ-UHFFFAOYSA-N 1 2 347.415 1.018 20 30 EDEDLO Cc1[nH]nc(NCc2ccc(OCC[NH+]3CCOCC3)cc2)c1C#N ZINC000601125091 449703391 /nfs/dbraw/zinc/70/33/91/449703391.db2.gz CISYSRYGPMQNNK-UHFFFAOYSA-N 1 2 341.415 1.913 20 30 EDEDLO N#Cc1ccncc1N1CCN(Cc2cc3c(c[nH+]2)OCCO3)CC1 ZINC000602673858 449742839 /nfs/dbraw/zinc/74/28/39/449742839.db2.gz UEJGJZRTSYXTTL-UHFFFAOYSA-N 1 2 337.383 1.442 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc3c(cn2)OCCO3)CC1 ZINC000602673858 449742845 /nfs/dbraw/zinc/74/28/45/449742845.db2.gz UEJGJZRTSYXTTL-UHFFFAOYSA-N 1 2 337.383 1.442 20 30 EDEDLO CCN(C#N)CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000602786081 449808081 /nfs/dbraw/zinc/80/80/81/449808081.db2.gz VQSUCLMROBWPSJ-UHFFFAOYSA-N 1 2 340.387 1.731 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(CCOC3CCOCC3)CC2)cc1 ZINC000599261374 449840860 /nfs/dbraw/zinc/84/08/60/449840860.db2.gz PSXDRKXPJBZKMZ-UHFFFAOYSA-N 1 2 329.444 1.871 20 30 EDEDLO COC(=O)c1ccc(NC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602858340 449867288 /nfs/dbraw/zinc/86/72/88/449867288.db2.gz AESJTOVAXKOXQH-ZIAGYGMSSA-N 1 2 344.415 1.330 20 30 EDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000602861066 449869357 /nfs/dbraw/zinc/86/93/57/449869357.db2.gz FFXLCIAKBDFHQC-DZGCQCFKSA-N 1 2 341.477 1.227 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000601373999 449888799 /nfs/dbraw/zinc/88/87/99/449888799.db2.gz KNMBPOMKXLJRLN-RISCZKNCSA-N 1 2 341.408 1.003 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000601373999 449888803 /nfs/dbraw/zinc/88/88/03/449888803.db2.gz KNMBPOMKXLJRLN-RISCZKNCSA-N 1 2 341.408 1.003 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1nccn1C)C(C)(C)CO ZINC000602885682 449893191 /nfs/dbraw/zinc/89/31/91/449893191.db2.gz YTXUFKSUAPUCSM-HIFRSBDPSA-N 1 2 335.452 1.077 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000601379556 449895014 /nfs/dbraw/zinc/89/50/14/449895014.db2.gz AKEQOFIHICOAHJ-CYBMUJFWSA-N 1 2 334.376 1.496 20 30 EDEDLO COC(=O)C1([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCCCCC1 ZINC000599350963 449912675 /nfs/dbraw/zinc/91/26/75/449912675.db2.gz CRPSFCHQNGHTDD-OAHLLOKOSA-N 1 2 338.448 1.913 20 30 EDEDLO C[N@H+](CC(=O)N1CCC(C(=O)N2CCCC2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602975416 449976959 /nfs/dbraw/zinc/97/69/59/449976959.db2.gz ARBUFGGXEAWHLI-IAGOWNOFSA-N 1 2 346.475 1.471 20 30 EDEDLO C[N@@H+](CC(=O)N1CCC(C(=O)N2CCCC2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602975416 449976960 /nfs/dbraw/zinc/97/69/60/449976960.db2.gz ARBUFGGXEAWHLI-IAGOWNOFSA-N 1 2 346.475 1.471 20 30 EDEDLO C=CCOC[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)OC ZINC000601544574 450064291 /nfs/dbraw/zinc/06/42/91/450064291.db2.gz ZIGTXFCZQFJHLL-MRXNPFEDSA-N 1 2 343.383 1.275 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3nccnn3)CC2)c(OC(F)F)c1 ZINC000599510154 450033520 /nfs/dbraw/zinc/03/35/20/450033520.db2.gz VOXKCJUVVUDXTQ-UHFFFAOYSA-N 1 2 346.341 1.667 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N(C)Cc2ccccc2F)CC1 ZINC000609485707 450036356 /nfs/dbraw/zinc/03/63/56/450036356.db2.gz VOLWGAPDZAWPJC-SFHVURJKSA-N 1 2 346.450 1.950 20 30 EDEDLO N#Cc1cccc(OCCCn2cc(CC[NH+]3CCOCC3)nn2)c1 ZINC000603242018 450170708 /nfs/dbraw/zinc/17/07/08/450170708.db2.gz JOYRVHNNJMLPDF-UHFFFAOYSA-N 1 2 341.415 1.494 20 30 EDEDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000601738045 450203137 /nfs/dbraw/zinc/20/31/37/450203137.db2.gz NDOPOWBVQVBNCH-QZTJIDSGSA-N 1 2 342.443 1.316 20 30 EDEDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000601738045 450203141 /nfs/dbraw/zinc/20/31/41/450203141.db2.gz NDOPOWBVQVBNCH-QZTJIDSGSA-N 1 2 342.443 1.316 20 30 EDEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1n[nH]c(=O)o1 ZINC000595546881 450221764 /nfs/dbraw/zinc/22/17/64/450221764.db2.gz KCZNSIITNOJDIR-UHFFFAOYSA-N 1 2 335.751 1.761 20 30 EDEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1n[nH]c(=O)o1 ZINC000595546881 450221769 /nfs/dbraw/zinc/22/17/69/450221769.db2.gz KCZNSIITNOJDIR-UHFFFAOYSA-N 1 2 335.751 1.761 20 30 EDEDLO N#Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)[C@H]2CCSC2)[nH]1 ZINC000597680607 450192133 /nfs/dbraw/zinc/19/21/33/450192133.db2.gz XQKZDLBNFZKCRN-AWEZNQCLSA-N 1 2 334.445 1.166 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c(Br)c1 ZINC000618900682 450330922 /nfs/dbraw/zinc/33/09/22/450330922.db2.gz UJANXGBADKIHPF-OCCSQVGLSA-N 1 2 325.206 1.496 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c(Br)c1 ZINC000618900682 450330926 /nfs/dbraw/zinc/33/09/26/450330926.db2.gz UJANXGBADKIHPF-OCCSQVGLSA-N 1 2 325.206 1.496 20 30 EDEDLO COc1cc[nH+]cc1NC(=O)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619838296 450344577 /nfs/dbraw/zinc/34/45/77/450344577.db2.gz SFEXTFIEILKLCS-UHFFFAOYSA-N 1 2 344.758 1.870 20 30 EDEDLO C=CCOCCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000620723715 450532797 /nfs/dbraw/zinc/53/27/97/450532797.db2.gz PQZNWVFLVULGIA-LJQANCHMSA-N 1 2 345.487 1.902 20 30 EDEDLO C=CCOCCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000620723715 450532799 /nfs/dbraw/zinc/53/27/99/450532799.db2.gz PQZNWVFLVULGIA-LJQANCHMSA-N 1 2 345.487 1.902 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(Cl)cc2C)nn1 ZINC000640786493 451579781 /nfs/dbraw/zinc/57/97/81/451579781.db2.gz KRNKSUDAOMYLGR-UHFFFAOYSA-N 1 2 331.807 1.992 20 30 EDEDLO C=CCCNC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000665946770 452481211 /nfs/dbraw/zinc/48/12/11/452481211.db2.gz WDXVGLYTLRKWTC-UHFFFAOYSA-N 1 2 333.432 1.977 20 30 EDEDLO C=CCn1cc(CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)nn1 ZINC000664033391 452732837 /nfs/dbraw/zinc/73/28/37/452732837.db2.gz UZFKPJTXKZUJEB-UHFFFAOYSA-N 1 2 329.408 1.217 20 30 EDEDLO C=CCn1cc(CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)nn1 ZINC000664033391 452732849 /nfs/dbraw/zinc/73/28/49/452732849.db2.gz UZFKPJTXKZUJEB-UHFFFAOYSA-N 1 2 329.408 1.217 20 30 EDEDLO C=CCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@@H](C)COC ZINC000658378445 452893535 /nfs/dbraw/zinc/89/35/35/452893535.db2.gz XOPWBFXHDLNPBZ-ZDUSSCGKSA-N 1 2 330.388 1.631 20 30 EDEDLO C=C[C@](C)(O)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000665421894 453688153 /nfs/dbraw/zinc/68/81/53/453688153.db2.gz JHHZKVYLMPGRMR-IBGZPJMESA-N 1 2 342.443 1.532 20 30 EDEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000665421894 453688155 /nfs/dbraw/zinc/68/81/55/453688155.db2.gz JHHZKVYLMPGRMR-IBGZPJMESA-N 1 2 342.443 1.532 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)nn1 ZINC000657301730 453760271 /nfs/dbraw/zinc/76/02/71/453760271.db2.gz MGHXZVGYLBODMR-UHFFFAOYSA-N 1 2 328.420 1.376 20 30 EDEDLO C=CCCn1cc(C[NH2+]CC(=O)N2CCCc3ccccc32)nn1 ZINC000657332716 453767964 /nfs/dbraw/zinc/76/79/64/453767964.db2.gz NYKBMXPYKALOJS-UHFFFAOYSA-N 1 2 325.416 1.923 20 30 EDEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)[C@H](C)COC ZINC000661244566 453772900 /nfs/dbraw/zinc/77/29/00/453772900.db2.gz VYRHSJPVRDFMMH-GFCCVEGCSA-N 1 2 345.399 1.374 20 30 EDEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)[C@H](C)COC ZINC000661244566 453772902 /nfs/dbraw/zinc/77/29/02/453772902.db2.gz VYRHSJPVRDFMMH-GFCCVEGCSA-N 1 2 345.399 1.374 20 30 EDEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000670194634 486658139 /nfs/dbraw/zinc/65/81/39/486658139.db2.gz FSAZDBMXBISQBY-UHFFFAOYSA-N 1 2 346.479 1.332 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000680509744 486794961 /nfs/dbraw/zinc/79/49/61/486794961.db2.gz FHVWCELCWFKHTB-HZPDHXFCSA-N 1 2 328.416 1.940 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000681055634 486926747 /nfs/dbraw/zinc/92/67/47/486926747.db2.gz NNPZSTNFPQBEJS-OAHLLOKOSA-N 1 2 346.427 1.807 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)Nc2c[nH+]c3c(C)cccn23)C1=O ZINC000667956703 487032094 /nfs/dbraw/zinc/03/20/94/487032094.db2.gz LTMLGZPUZMQWHU-CYBMUJFWSA-N 1 2 327.388 1.893 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000668422277 485731492 /nfs/dbraw/zinc/73/14/92/485731492.db2.gz WXLISMOIWKOXKB-HNNXBMFYSA-N 1 2 340.427 1.808 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000361437106 491252677 /nfs/dbraw/zinc/25/26/77/491252677.db2.gz GVCVNDWZNJJRBM-IRXDYDNUSA-N 1 2 329.400 1.355 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(=O)n4ccccc4n3)CC2)c1 ZINC000029446802 501032045 /nfs/dbraw/zinc/03/20/45/501032045.db2.gz OCPZKQWUQXRXGZ-UHFFFAOYSA-N 1 2 346.394 1.283 20 30 EDEDLO CCn1nccc1N1CCC[C@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000352947490 535873020 /nfs/dbraw/zinc/87/30/20/535873020.db2.gz QHHUFRFCCDBZGG-LBPRGKRZSA-N 1 2 330.417 1.516 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1O ZINC000270834108 536132056 /nfs/dbraw/zinc/13/20/56/536132056.db2.gz DBPYMUNEQKMZQI-XJKSGUPXSA-N 1 2 339.399 1.385 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1O ZINC000270834108 536132057 /nfs/dbraw/zinc/13/20/57/536132057.db2.gz DBPYMUNEQKMZQI-XJKSGUPXSA-N 1 2 339.399 1.385 20 30 EDEDLO N#C[C@@H](C(=O)C[N@@H+](CCCO)C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000740878810 579388136 /nfs/dbraw/zinc/38/81/36/579388136.db2.gz ZDSXMHQPYIIUKH-AWEZNQCLSA-N 1 2 340.383 1.358 20 30 EDEDLO N#C[C@@H](C(=O)C[N@H+](CCCO)C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000740878810 579388138 /nfs/dbraw/zinc/38/81/38/579388138.db2.gz ZDSXMHQPYIIUKH-AWEZNQCLSA-N 1 2 340.383 1.358 20 30 EDEDLO C=C(COC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(=O)OCC ZINC000741335533 579411351 /nfs/dbraw/zinc/41/13/51/579411351.db2.gz SYGXFJRNLNOACF-UHFFFAOYSA-N 1 2 333.384 1.795 20 30 EDEDLO COC(=O)N1CCC[C@@H](Nc2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000726594448 578350709 /nfs/dbraw/zinc/35/07/09/578350709.db2.gz AOWSOKFCSPJZLP-LLVKDONJSA-N 1 2 329.364 1.383 20 30 EDEDLO C=CCNC(=S)N1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000728449813 578547723 /nfs/dbraw/zinc/54/77/23/578547723.db2.gz NUBIPTPXOUZFKY-UHFFFAOYSA-N 1 2 338.521 1.456 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000728572396 578548896 /nfs/dbraw/zinc/54/88/96/578548896.db2.gz BXNSGUUYCCIYOL-UHFFFAOYSA-N 1 2 340.254 1.860 20 30 EDEDLO COC(=O)c1ncn(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000728903625 578553999 /nfs/dbraw/zinc/55/39/99/578553999.db2.gz FRZIVHDTBALCJK-UHFFFAOYSA-N 1 2 341.371 1.437 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OCC(=O)OCC)c1 ZINC000730097471 578614094 /nfs/dbraw/zinc/61/40/94/578614094.db2.gz ZVEINPAILZHLSS-INIZCTEOSA-N 1 2 330.384 1.665 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OCC(=O)OCC)c1 ZINC000730097471 578614096 /nfs/dbraw/zinc/61/40/96/578614096.db2.gz ZVEINPAILZHLSS-INIZCTEOSA-N 1 2 330.384 1.665 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000731622139 578676928 /nfs/dbraw/zinc/67/69/28/578676928.db2.gz JUBKQXSKYDWLGH-MRXNPFEDSA-N 1 2 338.415 1.573 20 30 EDEDLO CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc(C#N)c2)c[nH+]1 ZINC000754813875 578684022 /nfs/dbraw/zinc/68/40/22/578684022.db2.gz PMESWMCJISXNTJ-UHFFFAOYSA-N 1 2 330.413 1.840 20 30 EDEDLO C[C@@H]1C[C@H]1c1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)o1 ZINC000732763595 578726857 /nfs/dbraw/zinc/72/68/57/578726857.db2.gz LNTQZDLJDQDRBT-TZMCWYRMSA-N 1 2 336.461 1.533 20 30 EDEDLO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000760944531 580042104 /nfs/dbraw/zinc/04/21/04/580042104.db2.gz RSEAJLYTKVOZMV-UHFFFAOYSA-N 1 2 343.475 1.242 20 30 EDEDLO N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000761000785 580044049 /nfs/dbraw/zinc/04/40/49/580044049.db2.gz NPUCPHKNFAPZAQ-UHFFFAOYSA-N 1 2 345.334 1.070 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C2OCCO2)CC1 ZINC000739912511 579267072 /nfs/dbraw/zinc/26/70/72/579267072.db2.gz MAKQIAQLKJUYMT-INIZCTEOSA-N 1 2 330.384 1.857 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)c2ccccc2SCC#N)CC1 ZINC000747921542 579663406 /nfs/dbraw/zinc/66/34/06/579663406.db2.gz VPTUUNMYWFVNQX-UHFFFAOYSA-N 1 2 346.456 1.324 20 30 EDEDLO C[C@@H]1CC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@H]1F ZINC000777962530 580453575 /nfs/dbraw/zinc/45/35/75/580453575.db2.gz DCOYKXOJLPTXMR-CZUORRHYSA-N 1 2 344.390 1.960 20 30 EDEDLO C[C@@H]1CC[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@H]1F ZINC000777962530 580453576 /nfs/dbraw/zinc/45/35/76/580453576.db2.gz DCOYKXOJLPTXMR-CZUORRHYSA-N 1 2 344.390 1.960 20 30 EDEDLO COc1cccc(C=[NH+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O ZINC000751889929 579826467 /nfs/dbraw/zinc/82/64/67/579826467.db2.gz DVLNJHUQJVTWMW-QMQOZSLOSA-N 1 2 331.372 1.540 20 30 EDEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C[C@@H](C)C#N)C1CC1)cc2=O ZINC000754371869 579902074 /nfs/dbraw/zinc/90/20/74/579902074.db2.gz OAVBKXPSRCGOEG-NSHDSACASA-N 1 2 343.387 1.736 20 30 EDEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C[C@@H](C)C#N)C1CC1)cc2=O ZINC000754371869 579902075 /nfs/dbraw/zinc/90/20/75/579902075.db2.gz OAVBKXPSRCGOEG-NSHDSACASA-N 1 2 343.387 1.736 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)n1 ZINC000754447766 579903670 /nfs/dbraw/zinc/90/36/70/579903670.db2.gz NMYJCKGKFNNKGL-UHFFFAOYSA-N 1 2 347.448 1.323 20 30 EDEDLO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCC(=O)N(C)C(C)(C)C#N ZINC000754511244 579904812 /nfs/dbraw/zinc/90/48/12/579904812.db2.gz HTCDJESOOLGJBB-HNNXBMFYSA-N 1 2 339.436 1.083 20 30 EDEDLO N#CCCNC(=O)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000755178414 579922184 /nfs/dbraw/zinc/92/21/84/579922184.db2.gz BOEFXXDBTYAQMP-UHFFFAOYSA-N 1 2 346.250 1.335 20 30 EDEDLO N#CCCNC(=O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000755178414 579922185 /nfs/dbraw/zinc/92/21/85/579922185.db2.gz BOEFXXDBTYAQMP-UHFFFAOYSA-N 1 2 346.250 1.335 20 30 EDEDLO Cn1c[nH+]cc1C=NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000755609378 579930884 /nfs/dbraw/zinc/93/08/84/579930884.db2.gz RJWVPSQRYRIWIE-KRWDZBQOSA-N 1 2 325.372 1.697 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000755981083 579940134 /nfs/dbraw/zinc/94/01/34/579940134.db2.gz HCKNCOKIYJUOKK-NSHDSACASA-N 1 2 334.376 1.609 20 30 EDEDLO Cc1cc(C(N)=[NH+]OCC(=O)N2CCOC[C@@H]2C2CC2)ccc1F ZINC000765532989 580145138 /nfs/dbraw/zinc/14/51/38/580145138.db2.gz YHTQGMODSWBECY-OAHLLOKOSA-N 1 2 335.379 1.408 20 30 EDEDLO C#CCOc1cccc(OS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000766048407 580157478 /nfs/dbraw/zinc/15/74/78/580157478.db2.gz HVZSLPRQBDHRMM-UHFFFAOYSA-N 1 2 339.413 1.130 20 30 EDEDLO C#CCCN(CN1C[C@@H](c2c[nH+]cn2C)CC1=O)CC(F)(F)F ZINC000767500339 580191241 /nfs/dbraw/zinc/19/12/41/580191241.db2.gz AHHNHVKJNYMZMK-LBPRGKRZSA-N 1 2 328.338 1.581 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CC[C@H]1c1ccccc1 ZINC000769763865 580244414 /nfs/dbraw/zinc/24/44/14/580244414.db2.gz ROBOUCXYMXKMRZ-HNNXBMFYSA-N 1 2 332.473 1.716 20 30 EDEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000771938328 580299044 /nfs/dbraw/zinc/29/90/44/580299044.db2.gz PJRDKFIWMCGZSK-UHFFFAOYSA-N 1 2 347.396 1.818 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CCCO1 ZINC000773166094 580329360 /nfs/dbraw/zinc/32/93/60/580329360.db2.gz RQKHLKPPLSAOSL-CVEARBPZSA-N 1 2 328.416 1.662 20 30 EDEDLO C#C[C@H](NC(=O)N1CCC[N@H+](Cc2cscn2)CC1)[C@@H]1CCCO1 ZINC000773548658 580340612 /nfs/dbraw/zinc/34/06/12/580340612.db2.gz MILNLQGVYPKAKM-HOTGVXAUSA-N 1 2 348.472 1.541 20 30 EDEDLO C#C[C@H](NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)[C@@H]1CCCO1 ZINC000773548658 580340613 /nfs/dbraw/zinc/34/06/13/580340613.db2.gz MILNLQGVYPKAKM-HOTGVXAUSA-N 1 2 348.472 1.541 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000773977810 580350857 /nfs/dbraw/zinc/35/08/57/580350857.db2.gz PKYSYDHMESZYDH-UKRRQHHQSA-N 1 2 347.440 1.780 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000773977810 580350858 /nfs/dbraw/zinc/35/08/58/580350858.db2.gz PKYSYDHMESZYDH-UKRRQHHQSA-N 1 2 347.440 1.780 20 30 EDEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2COCC[N@@H+]2CC)c1 ZINC000775604518 580395134 /nfs/dbraw/zinc/39/51/34/580395134.db2.gz NRBNQBNWELHRHX-NVXWUHKLSA-N 1 2 331.416 1.704 20 30 EDEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2COCC[N@H+]2CC)c1 ZINC000775604518 580395135 /nfs/dbraw/zinc/39/51/35/580395135.db2.gz NRBNQBNWELHRHX-NVXWUHKLSA-N 1 2 331.416 1.704 20 30 EDEDLO C#C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000775792340 580400816 /nfs/dbraw/zinc/40/08/16/580400816.db2.gz QQHKCYKEODFXHA-MJBXVCDLSA-N 1 2 337.217 1.746 20 30 EDEDLO CS(=O)(=O)c1cccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)c1 ZINC000776261625 580413243 /nfs/dbraw/zinc/41/32/43/580413243.db2.gz OPTQDEFFHNURCQ-UHFFFAOYSA-N 1 2 345.428 1.926 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cc(O)cc(C#N)c3)CC2)S1 ZINC000776350079 580415422 /nfs/dbraw/zinc/41/54/22/580415422.db2.gz HRIHOVDEKBDGQF-LLVKDONJSA-N 1 2 330.413 1.513 20 30 EDEDLO CC1(C#N)CC[NH+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC1 ZINC000779878460 580500666 /nfs/dbraw/zinc/50/06/66/580500666.db2.gz KNGZHHDRYJWJFO-OAHLLOKOSA-N 1 2 326.400 1.733 20 30 EDEDLO N#Cc1ccc([C@@H](O)C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000780854147 580534973 /nfs/dbraw/zinc/53/49/73/580534973.db2.gz BCQOXZJNIVTALM-GOSISDBHSA-N 1 2 336.395 1.331 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000780938095 580538126 /nfs/dbraw/zinc/53/81/26/580538126.db2.gz HPRDRXJQOUTDPD-MSOLQXFVSA-N 1 2 343.427 1.305 20 30 EDEDLO Cc1nn(C[NH+]2CCC(CC#N)CC2)c(=S)n1CC(=O)N(C)C ZINC000781572034 580552583 /nfs/dbraw/zinc/55/25/83/580552583.db2.gz OIGFVEJUDLDRAJ-UHFFFAOYSA-N 1 2 336.465 1.394 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(-c3cnn(C)c3)ccc2F)CC1 ZINC000782703785 580582955 /nfs/dbraw/zinc/58/29/55/580582955.db2.gz ZXWIUMMROIJIFF-UHFFFAOYSA-N 1 2 326.375 1.617 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@@H](/N=C\c2cccc(O)c2O)C1=O ZINC000782878883 580587349 /nfs/dbraw/zinc/58/73/49/580587349.db2.gz BFJIEOMPQZEVPX-XTBHVRTMSA-N 1 2 328.372 1.441 20 30 EDEDLO Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000786544617 580673257 /nfs/dbraw/zinc/67/32/57/580673257.db2.gz XPMKGHUDFYJSCB-CVEARBPZSA-N 1 2 345.468 1.757 20 30 EDEDLO Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000786544617 580673258 /nfs/dbraw/zinc/67/32/58/580673258.db2.gz XPMKGHUDFYJSCB-CVEARBPZSA-N 1 2 345.468 1.757 20 30 EDEDLO C#CCOCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789185013 580738599 /nfs/dbraw/zinc/73/85/99/580738599.db2.gz MEGPYSFPHXAKTN-UHFFFAOYSA-N 1 2 330.432 1.758 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(NS(C)(=O)=O)c2)n1 ZINC000789759600 580752819 /nfs/dbraw/zinc/75/28/19/580752819.db2.gz XPHCAFHDEYOQMZ-UHFFFAOYSA-N 1 2 346.456 1.910 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(NS(C)(=O)=O)c2)n1 ZINC000789759600 580752820 /nfs/dbraw/zinc/75/28/20/580752820.db2.gz XPHCAFHDEYOQMZ-UHFFFAOYSA-N 1 2 346.456 1.910 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@H+](Cn1cc3c(c(C#N)c1=O)CCCC3)CCO2 ZINC000793515824 580846767 /nfs/dbraw/zinc/84/67/67/580846767.db2.gz LFMVSIJLBJJFGU-AUUYWEPGSA-N 1 2 343.427 1.436 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cn1cc3c(c(C#N)c1=O)CCCC3)CCO2 ZINC000793515824 580846768 /nfs/dbraw/zinc/84/67/68/580846768.db2.gz LFMVSIJLBJJFGU-AUUYWEPGSA-N 1 2 343.427 1.436 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)OC[C@H](C)C#N)[C@@H]1c1c[nH+]cn1C ZINC000796779166 580961787 /nfs/dbraw/zinc/96/17/87/580961787.db2.gz YNONXHHNSAWSDO-XJKCOSOUSA-N 1 2 332.404 1.813 20 30 EDEDLO C#Cc1cncc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000798153335 580988884 /nfs/dbraw/zinc/98/88/84/580988884.db2.gz UUPUDNVNFXWLGK-UHFFFAOYSA-N 1 2 335.407 1.825 20 30 EDEDLO C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCCCC1)n1cnc(C#N)n1 ZINC000798933535 581012070 /nfs/dbraw/zinc/01/20/70/581012070.db2.gz XDYYXBGATNNUPV-ZDUSSCGKSA-N 1 2 339.403 1.412 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000799081830 581016091 /nfs/dbraw/zinc/01/60/91/581016091.db2.gz ONCVEYXOWXHJNY-QAPCUYQASA-N 1 2 347.434 1.227 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799293677 581024140 /nfs/dbraw/zinc/02/41/40/581024140.db2.gz JZUKABNAEGHAEG-MRXNPFEDSA-N 1 2 327.363 1.343 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000799938174 581039325 /nfs/dbraw/zinc/03/93/25/581039325.db2.gz BUGVAMRDWPIOAM-HSZRJFAPSA-N 1 2 346.378 1.473 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000799950878 581039625 /nfs/dbraw/zinc/03/96/25/581039625.db2.gz NFDJXEXNQMZLLZ-HNNXBMFYSA-N 1 2 345.428 1.202 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000799950878 581039626 /nfs/dbraw/zinc/03/96/26/581039626.db2.gz NFDJXEXNQMZLLZ-HNNXBMFYSA-N 1 2 345.428 1.202 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+]([C@@H]3CCC4(C[C@@H]3F)OCCO4)CC2)c1 ZINC000891558865 591124849 /nfs/dbraw/zinc/12/48/49/591124849.db2.gz XFLJPXHGSKPEBE-JKSUJKDBSA-N 1 2 346.406 1.709 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000892882249 591214296 /nfs/dbraw/zinc/21/42/96/591214296.db2.gz LIBFSAJHCRPISE-HNNXBMFYSA-N 1 2 327.432 1.395 20 30 EDEDLO C#C[C@@H]1CCCCN1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000896207901 591385150 /nfs/dbraw/zinc/38/51/50/591385150.db2.gz ZDUPRFDVNSOIFS-MRXNPFEDSA-N 1 2 349.475 1.990 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000898736260 591500217 /nfs/dbraw/zinc/50/02/17/591500217.db2.gz NSWLMLXVHPPNFS-SWLSCSKDSA-N 1 2 348.353 1.471 20 30 EDEDLO N#C[C@]12CN(c3cc[nH+]cc3C(F)(F)F)C[C@@H]1CS(=O)(=O)C2 ZINC000896609198 591551975 /nfs/dbraw/zinc/55/19/75/591551975.db2.gz LUUMDHGGJIJHAZ-BXKDBHETSA-N 1 2 331.319 1.475 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000897567268 591557882 /nfs/dbraw/zinc/55/78/82/591557882.db2.gz HUNGQDUWLRLHCE-SFHVURJKSA-N 1 2 325.416 1.931 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000897567268 591557884 /nfs/dbraw/zinc/55/78/84/591557884.db2.gz HUNGQDUWLRLHCE-SFHVURJKSA-N 1 2 325.416 1.931 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)cc1C#N ZINC000898843701 591560678 /nfs/dbraw/zinc/56/06/78/591560678.db2.gz AFLGMOBIGBYHCP-OLZOCXBDSA-N 1 2 346.456 1.983 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCc2nc(C#N)cs2)CC1 ZINC000897277369 591807983 /nfs/dbraw/zinc/80/79/83/591807983.db2.gz GLDCNWMMEZQQLM-UHFFFAOYSA-N 1 2 342.428 1.750 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)nn1 ZINC000898283234 591852491 /nfs/dbraw/zinc/85/24/91/591852491.db2.gz WOAYPDFSKUUHSY-UHFFFAOYSA-N 1 2 349.460 1.540 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000902697609 592044925 /nfs/dbraw/zinc/04/49/25/592044925.db2.gz DMTJMNXSJWFQOB-GFCCVEGCSA-N 1 2 335.404 1.358 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C(F)(F)c1ccccc1C#N ZINC000900557987 592059146 /nfs/dbraw/zinc/05/91/46/592059146.db2.gz XMRWLTACWREBHI-UHFFFAOYSA-N 1 2 337.370 1.877 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)C(F)(F)c1ccccc1C#N ZINC000900557987 592059149 /nfs/dbraw/zinc/05/91/49/592059149.db2.gz XMRWLTACWREBHI-UHFFFAOYSA-N 1 2 337.370 1.877 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC000903028403 592108692 /nfs/dbraw/zinc/10/86/92/592108692.db2.gz NYFVAQPBOUGRIL-INIZCTEOSA-N 1 2 336.399 1.151 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC000903028403 592108695 /nfs/dbraw/zinc/10/86/95/592108695.db2.gz NYFVAQPBOUGRIL-INIZCTEOSA-N 1 2 336.399 1.151 20 30 EDEDLO COCC[N@@H+]1CCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)C[C@H]1C ZINC000900745562 592116490 /nfs/dbraw/zinc/11/64/90/592116490.db2.gz QFIMNOICBRCCSY-HLRDLLSLSA-N 1 2 330.428 1.913 20 30 EDEDLO COCC[N@H+]1CCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)C[C@H]1C ZINC000900745562 592116491 /nfs/dbraw/zinc/11/64/91/592116491.db2.gz QFIMNOICBRCCSY-HLRDLLSLSA-N 1 2 330.428 1.913 20 30 EDEDLO Nc1nc(Cl)c(C=[NH+]N[C@@H]2CCCC[C@H]2O)c(N2CCCC2)n1 ZINC000901338879 592334815 /nfs/dbraw/zinc/33/48/15/592334815.db2.gz FCPRNFSXGPEAPG-VXGBXAGGSA-N 1 2 338.843 1.539 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C2(c3ccccc3F)CC2)no1 ZINC000904126511 592431213 /nfs/dbraw/zinc/43/12/13/592431213.db2.gz MBNFRJJATYJTIF-ZDUSSCGKSA-N 1 2 331.347 1.888 20 30 EDEDLO CCOCc1nc(C)cc(N[NH+]=Cc2c(C)nn(C)c2N(C)C)n1 ZINC000905502392 592546282 /nfs/dbraw/zinc/54/62/82/592546282.db2.gz HMVHTBGMTVHEPV-UHFFFAOYSA-N 1 2 331.424 1.875 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3[C@@H]4CCC(=O)[C@@H]43)CC2)cc1 ZINC000905554134 592564660 /nfs/dbraw/zinc/56/46/60/592564660.db2.gz LAYHYTSORVFNPJ-BHIYHBOVSA-N 1 2 337.423 1.818 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3[C@@H]4CCC(=O)[C@@H]43)CC2)cc1 ZINC000905554134 592564662 /nfs/dbraw/zinc/56/46/62/592564662.db2.gz LAYHYTSORVFNPJ-BHIYHBOVSA-N 1 2 337.423 1.818 20 30 EDEDLO C#CCN(C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)C1CSC1 ZINC000912361971 593090106 /nfs/dbraw/zinc/09/01/06/593090106.db2.gz MJPZRSLNRFTQOJ-KRWDZBQOSA-N 1 2 330.453 1.847 20 30 EDEDLO C#CCN(C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C1CSC1 ZINC000912361971 593090107 /nfs/dbraw/zinc/09/01/07/593090107.db2.gz MJPZRSLNRFTQOJ-KRWDZBQOSA-N 1 2 330.453 1.847 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000783547617 593133672 /nfs/dbraw/zinc/13/36/72/593133672.db2.gz OHHMPBKJNQXQBM-UHFFFAOYSA-N 1 2 335.429 1.316 20 30 EDEDLO O=C(C#CC1CC1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000838370811 593164969 /nfs/dbraw/zinc/16/49/69/593164969.db2.gz XVIWGQMAIFQGDX-UHFFFAOYSA-N 1 2 332.425 1.349 20 30 EDEDLO C[C@@H](C#N)OCCSCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000802750946 593276268 /nfs/dbraw/zinc/27/62/68/593276268.db2.gz FPTZVDPVZPFEDV-HNNXBMFYSA-N 1 2 348.472 1.782 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)o1 ZINC000805084459 593332635 /nfs/dbraw/zinc/33/26/35/593332635.db2.gz WWEAIHZPYXCCAV-ZDUSSCGKSA-N 1 2 336.373 1.009 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810073179 593380083 /nfs/dbraw/zinc/38/00/83/593380083.db2.gz QAPSIYUDVRZXGI-ZDUSSCGKSA-N 1 2 338.452 1.546 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810073179 593380085 /nfs/dbraw/zinc/38/00/85/593380085.db2.gz QAPSIYUDVRZXGI-ZDUSSCGKSA-N 1 2 338.452 1.546 20 30 EDEDLO Cc1cnn([C@H]2CC[N@H+](Cc3nc4ccccc4c(=O)n3CC#N)C2)c1 ZINC000810124223 593385663 /nfs/dbraw/zinc/38/56/63/593385663.db2.gz UOLPHEAWDDOFNE-HNNXBMFYSA-N 1 2 348.410 1.872 20 30 EDEDLO Cc1cnn([C@H]2CC[N@@H+](Cc3nc4ccccc4c(=O)n3CC#N)C2)c1 ZINC000810124223 593385666 /nfs/dbraw/zinc/38/56/66/593385666.db2.gz UOLPHEAWDDOFNE-HNNXBMFYSA-N 1 2 348.410 1.872 20 30 EDEDLO N#Cc1csc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)n1 ZINC000810156182 593386692 /nfs/dbraw/zinc/38/66/92/593386692.db2.gz VDUIELGRHVXPAT-UHFFFAOYSA-N 1 2 335.454 1.762 20 30 EDEDLO COCCCNC(=O)[C@@H](C#N)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810526894 593409568 /nfs/dbraw/zinc/40/95/68/593409568.db2.gz HNIKPWGHHLQSTD-LRDDRELGSA-N 1 2 327.400 1.060 20 30 EDEDLO COCCCNC(=O)[C@@H](C#N)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810526894 593409569 /nfs/dbraw/zinc/40/95/69/593409569.db2.gz HNIKPWGHHLQSTD-LRDDRELGSA-N 1 2 327.400 1.060 20 30 EDEDLO CC1(C)C(=O)N(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)[C@@H]1C1CC1 ZINC000811729068 593477084 /nfs/dbraw/zinc/47/70/84/593477084.db2.gz KYXRRKVJHGWEPY-QGZVFWFLSA-N 1 2 339.443 1.680 20 30 EDEDLO CC(C)(C)n1ncc2c1nc(N[NH+]=Cc1ccncc1N)[nH]c2=O ZINC000819808225 593770448 /nfs/dbraw/zinc/77/04/48/593770448.db2.gz SJILTKLVBFMHCI-UHFFFAOYSA-N 1 2 326.364 1.710 20 30 EDEDLO C#CCO[C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000822325919 594032321 /nfs/dbraw/zinc/03/23/21/594032321.db2.gz ALWIUDPERKRREI-CZUORRHYSA-N 1 2 327.384 1.673 20 30 EDEDLO C=C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000821397846 594036999 /nfs/dbraw/zinc/03/69/99/594036999.db2.gz NRQMPHXYHVKPHE-CQSZACIVSA-N 1 2 344.333 1.776 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000822451342 594050856 /nfs/dbraw/zinc/05/08/56/594050856.db2.gz KYBGKUWPXCMATB-HUUCEWRRSA-N 1 2 344.415 1.916 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000825080161 594127587 /nfs/dbraw/zinc/12/75/87/594127587.db2.gz IFABIZIUBVPNOZ-AEFFLSMTSA-N 1 2 330.428 1.814 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000825080161 594127588 /nfs/dbraw/zinc/12/75/88/594127588.db2.gz IFABIZIUBVPNOZ-AEFFLSMTSA-N 1 2 330.428 1.814 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCOC[C@H](O)C2)cc1 ZINC000830623587 594441252 /nfs/dbraw/zinc/44/12/52/594441252.db2.gz WOKKXFWZHVUBRA-NVXWUHKLSA-N 1 2 331.416 1.323 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCOC[C@H](O)C2)cc1 ZINC000830623587 594441253 /nfs/dbraw/zinc/44/12/53/594441253.db2.gz WOKKXFWZHVUBRA-NVXWUHKLSA-N 1 2 331.416 1.323 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000826551117 594523382 /nfs/dbraw/zinc/52/33/82/594523382.db2.gz YKMDFZNDQHJGQZ-INIZCTEOSA-N 1 2 331.460 1.241 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000826551117 594523383 /nfs/dbraw/zinc/52/33/83/594523383.db2.gz YKMDFZNDQHJGQZ-INIZCTEOSA-N 1 2 331.460 1.241 20 30 EDEDLO COc1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1C#N ZINC000827170407 594650171 /nfs/dbraw/zinc/65/01/71/594650171.db2.gz IPLJTPQQNWQYKV-KRWDZBQOSA-N 1 2 343.427 1.894 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000831690735 594692888 /nfs/dbraw/zinc/69/28/88/594692888.db2.gz CIBLPTFLSXLXMB-LSDHHAIUSA-N 1 2 335.448 1.802 20 30 EDEDLO CCc1cc(=O)oc2cc(OC[C@@H](O)C[N@H+](C)CCC#N)ccc12 ZINC000840753710 594814643 /nfs/dbraw/zinc/81/46/43/594814643.db2.gz UHHVHWGFVFXVNQ-AWEZNQCLSA-N 1 2 330.384 1.941 20 30 EDEDLO CCc1cc(=O)oc2cc(OC[C@@H](O)C[N@@H+](C)CCC#N)ccc12 ZINC000840753710 594814644 /nfs/dbraw/zinc/81/46/44/594814644.db2.gz UHHVHWGFVFXVNQ-AWEZNQCLSA-N 1 2 330.384 1.941 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)CC1 ZINC000841479511 594906999 /nfs/dbraw/zinc/90/69/99/594906999.db2.gz QRCCXFDOISCFAW-CQSZACIVSA-N 1 2 336.461 1.110 20 30 EDEDLO CCn1c[nH+]cc1C=NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000841611784 594928967 /nfs/dbraw/zinc/92/89/67/594928967.db2.gz AYUJGLJKDIAWSY-QGZVFWFLSA-N 1 2 341.371 1.713 20 30 EDEDLO C#Cc1cccc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000836659039 594984869 /nfs/dbraw/zinc/98/48/69/594984869.db2.gz VFYCPRMPVYOMPZ-CRAIPNDOSA-N 1 2 327.428 1.673 20 30 EDEDLO Cn1c(CC#N)nn(C[N@H+](C)C[C@]2(O)CCc3ccccc32)c1=S ZINC000842626391 595148497 /nfs/dbraw/zinc/14/84/97/595148497.db2.gz OYALDYCWGZXPLF-QGZVFWFLSA-N 1 2 343.456 1.740 20 30 EDEDLO Cn1c(CC#N)nn(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)c1=S ZINC000842626391 595148501 /nfs/dbraw/zinc/14/85/01/595148501.db2.gz OYALDYCWGZXPLF-QGZVFWFLSA-N 1 2 343.456 1.740 20 30 EDEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(C3CC3)n(CCC(N)=O)c2=S)C1 ZINC000842630091 595150517 /nfs/dbraw/zinc/15/05/17/595150517.db2.gz XBVWMQDHXVESIV-ZDUSSCGKSA-N 1 2 347.488 1.860 20 30 EDEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(C3CC3)n(CCC(N)=O)c2=S)C1 ZINC000842630091 595150518 /nfs/dbraw/zinc/15/05/18/595150518.db2.gz XBVWMQDHXVESIV-ZDUSSCGKSA-N 1 2 347.488 1.860 20 30 EDEDLO C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)c1ccc(Cl)cc1 ZINC000848131156 595323472 /nfs/dbraw/zinc/32/34/72/595323472.db2.gz ZNZJABRYSPCQMV-CHWSQXEVSA-N 1 2 325.796 1.439 20 30 EDEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCCN(O)C1=O ZINC000848134870 595324710 /nfs/dbraw/zinc/32/47/10/595324710.db2.gz FDSFWCCXEAYTGV-CQSZACIVSA-N 1 2 344.415 1.875 20 30 EDEDLO Cc1nsc(N2CC[NH+](C[C@H]3CN(C4CC4)C(=O)O3)CC2)c1C#N ZINC000844332193 595326678 /nfs/dbraw/zinc/32/66/78/595326678.db2.gz QDJMLZUNCAOCPW-ZDUSSCGKSA-N 1 2 347.444 1.428 20 30 EDEDLO C=CCCn1cc(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)nn1 ZINC000846892337 595333141 /nfs/dbraw/zinc/33/31/41/595333141.db2.gz UILOQOLMJJOFAN-UHFFFAOYSA-N 1 2 345.369 1.745 20 30 EDEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nc1Br ZINC000844527255 595355351 /nfs/dbraw/zinc/35/53/51/595355351.db2.gz NNKCZVHVXKOYBR-ZDUSSCGKSA-N 1 2 341.209 1.426 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C[C@H](c1ccccc1)N1CCOC1=O ZINC000844528936 595355574 /nfs/dbraw/zinc/35/55/74/595355574.db2.gz NEDDSNOQPJSNJL-CRAIPNDOSA-N 1 2 344.415 1.530 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C[C@@H](c1ccccc1)N1CCOC1=O ZINC000844529106 595355608 /nfs/dbraw/zinc/35/56/08/595355608.db2.gz NEDDSNOQPJSNJL-YJBOKZPZSA-N 1 2 344.415 1.530 20 30 EDEDLO COc1cc(C=NNCCCn2cc[nH+]c2)cc(OC)c1OC(C)=O ZINC000848418716 595376067 /nfs/dbraw/zinc/37/60/67/595376067.db2.gz MHPZBCQVOUZVIE-UHFFFAOYSA-N 1 2 346.387 1.839 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000848493946 595395759 /nfs/dbraw/zinc/39/57/59/595395759.db2.gz SCDCQEGMPBTHIQ-LBPRGKRZSA-N 1 2 331.397 1.342 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000848493946 595395761 /nfs/dbraw/zinc/39/57/61/595395761.db2.gz SCDCQEGMPBTHIQ-LBPRGKRZSA-N 1 2 331.397 1.342 20 30 EDEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857942868 595660614 /nfs/dbraw/zinc/66/06/14/595660614.db2.gz BEPOCPOTQXSFDD-PXAZEXFGSA-N 1 2 332.404 1.576 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H]3CCn4c[nH+]cc43)C2)c(F)c1 ZINC000857978123 595674331 /nfs/dbraw/zinc/67/43/31/595674331.db2.gz KJDDQHMIXMAFPB-UKRRQHHQSA-N 1 2 339.374 1.981 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000858154072 595714113 /nfs/dbraw/zinc/71/41/13/595714113.db2.gz YSQPOFLWJPWLSZ-HNNXBMFYSA-N 1 2 330.432 1.778 20 30 EDEDLO C#CCCCCCOC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000860642783 595750434 /nfs/dbraw/zinc/75/04/34/595750434.db2.gz GSPFITGMTPHENV-HOTGVXAUSA-N 1 2 347.415 1.445 20 30 EDEDLO C=C[C@H](CO)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000853790764 595881703 /nfs/dbraw/zinc/88/17/03/595881703.db2.gz KQJMXBDSZTZBDY-CQSZACIVSA-N 1 2 332.448 1.568 20 30 EDEDLO C=C[C@H](CO)NC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000853790764 595881706 /nfs/dbraw/zinc/88/17/06/595881706.db2.gz KQJMXBDSZTZBDY-CQSZACIVSA-N 1 2 332.448 1.568 20 30 EDEDLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C(C)(C)C ZINC000859199978 596001993 /nfs/dbraw/zinc/00/19/93/596001993.db2.gz UDRRIJPENPGORV-GOEBONIOSA-N 1 2 334.416 1.865 20 30 EDEDLO CCc1nc(C#N)cc(N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)n1 ZINC000856530566 596012065 /nfs/dbraw/zinc/01/20/65/596012065.db2.gz KUZOTMLIPJEOGJ-LSDHHAIUSA-N 1 2 336.399 1.265 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CCn3ncc(Br)c3C2)nn1 ZINC000852625783 596211779 /nfs/dbraw/zinc/21/17/79/596211779.db2.gz KMIDSTAANARIPD-UHFFFAOYSA-N 1 2 337.225 1.829 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CCn3ncc(Br)c3C2)nn1 ZINC000852625783 596211780 /nfs/dbraw/zinc/21/17/80/596211780.db2.gz KMIDSTAANARIPD-UHFFFAOYSA-N 1 2 337.225 1.829 20 30 EDEDLO N#Cc1cc(F)cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000866762669 596328354 /nfs/dbraw/zinc/32/83/54/596328354.db2.gz YFEFQYQZWYNCRN-MRXNPFEDSA-N 1 2 346.387 1.428 20 30 EDEDLO C#CCCCS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@H]2C1 ZINC000867627192 596467910 /nfs/dbraw/zinc/46/79/10/596467910.db2.gz UWUXEAVIEBTVRP-HOTGVXAUSA-N 1 2 349.456 1.234 20 30 EDEDLO COCC(COC)N[NH+]=Cc1c(C)nn2c1[nH]c1ccccc1c2=O ZINC000863197524 596515953 /nfs/dbraw/zinc/51/59/53/596515953.db2.gz SYUKQVHPPMLYLB-UHFFFAOYSA-N 1 2 343.387 1.069 20 30 EDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NS(=O)(=O)CCCC#N)CC1 ZINC000867768586 596539590 /nfs/dbraw/zinc/53/95/90/596539590.db2.gz DKODHCAKCLBLHS-UHFFFAOYSA-N 1 2 345.465 1.016 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 ZINC000865552217 596608987 /nfs/dbraw/zinc/60/89/87/596608987.db2.gz KULFNNNPFBAOSL-HSZRJFAPSA-N 1 2 340.380 1.106 20 30 EDEDLO CC(C)[C@H](CNC(=O)c1sccc1CC#N)[NH+]1CCN(C)CC1 ZINC000865786633 596683018 /nfs/dbraw/zinc/68/30/18/596683018.db2.gz HHJGZMXYCVJRJY-HNNXBMFYSA-N 1 2 334.489 1.816 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCN[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000871938385 596751000 /nfs/dbraw/zinc/75/10/00/596751000.db2.gz TWOPHLNZTFAQSN-IRXDYDNUSA-N 1 2 331.416 1.473 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCN[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000871938385 596751001 /nfs/dbraw/zinc/75/10/01/596751001.db2.gz TWOPHLNZTFAQSN-IRXDYDNUSA-N 1 2 331.416 1.473 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCN[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000871938069 596751035 /nfs/dbraw/zinc/75/10/35/596751035.db2.gz MFDQGUSBIAKCDV-SJORKVTESA-N 1 2 331.416 1.473 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCN[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000871938069 596751037 /nfs/dbraw/zinc/75/10/37/596751037.db2.gz MFDQGUSBIAKCDV-SJORKVTESA-N 1 2 331.416 1.473 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000123978465 596824817 /nfs/dbraw/zinc/82/48/17/596824817.db2.gz ZKIATNPYQYGMBD-CYBMUJFWSA-N 1 2 343.493 1.473 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000123978465 596824818 /nfs/dbraw/zinc/82/48/18/596824818.db2.gz ZKIATNPYQYGMBD-CYBMUJFWSA-N 1 2 343.493 1.473 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CCN(c3ccc(C#N)cc3)CC2)nc[nH+]1 ZINC000866210941 596829133 /nfs/dbraw/zinc/82/91/33/596829133.db2.gz DXPHVIGMOQRTGG-CQSZACIVSA-N 1 2 338.415 1.468 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CCN(c3ccc(C#N)cc3)CC2)[nH+]cn1 ZINC000866210941 596829134 /nfs/dbraw/zinc/82/91/34/596829134.db2.gz DXPHVIGMOQRTGG-CQSZACIVSA-N 1 2 338.415 1.468 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000872491942 596934446 /nfs/dbraw/zinc/93/44/46/596934446.db2.gz XQXHVYPTXBYCMP-INIZCTEOSA-N 1 2 349.456 1.352 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000875704985 596953643 /nfs/dbraw/zinc/95/36/43/596953643.db2.gz KCXPWAXMLPOBCU-DYVFJYSZSA-N 1 2 336.436 1.560 20 30 EDEDLO N#Cc1ccc(OC2CC[NH+](CN3CC4(COC4)CC3=O)CC2)cc1 ZINC000872576989 596972790 /nfs/dbraw/zinc/97/27/90/596972790.db2.gz WJDZQSDNTNMNAY-UHFFFAOYSA-N 1 2 341.411 1.608 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000872643536 597006163 /nfs/dbraw/zinc/00/61/63/597006163.db2.gz JXLFQPVDYIFYMQ-INIZCTEOSA-N 1 2 337.445 1.088 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000872643536 597006165 /nfs/dbraw/zinc/00/61/65/597006165.db2.gz JXLFQPVDYIFYMQ-INIZCTEOSA-N 1 2 337.445 1.088 20 30 EDEDLO CC1=NO[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000875978701 597054864 /nfs/dbraw/zinc/05/48/64/597054864.db2.gz OBSCLTCBHIHPKJ-QGZVFWFLSA-N 1 2 341.415 1.550 20 30 EDEDLO CC[C@@]1(C)CC(=O)N(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000872793110 597072566 /nfs/dbraw/zinc/07/25/66/597072566.db2.gz LCEQRQSXAHDSHL-SFHVURJKSA-N 1 2 327.432 1.681 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000876281214 597160369 /nfs/dbraw/zinc/16/03/69/597160369.db2.gz GXWTVDXALIPMIA-RDTXWAMCSA-N 1 2 342.443 1.388 20 30 EDEDLO C[C@@H](CCC#N)C[NH+]1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000876615167 597262279 /nfs/dbraw/zinc/26/22/79/597262279.db2.gz VNRHKNHBTVAGEZ-AWEZNQCLSA-N 1 2 346.456 1.693 20 30 EDEDLO CN(C)c1ccc(C#N)cc1CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000876763081 597328630 /nfs/dbraw/zinc/32/86/30/597328630.db2.gz MANLXLNZYKALQN-HSZRJFAPSA-N 1 2 334.489 1.120 20 30 EDEDLO C=CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000877914406 597563781 /nfs/dbraw/zinc/56/37/81/597563781.db2.gz QVOYSPYYUSNLIK-ZDUSSCGKSA-N 1 2 339.417 1.866 20 30 EDEDLO C=CC[N@@H+](C[C@@H](O)CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000878241902 597589317 /nfs/dbraw/zinc/58/93/17/597589317.db2.gz JUTJYJAZPKBKQQ-CABCVRRESA-N 1 2 331.478 1.108 20 30 EDEDLO C=CC[N@H+](C[C@@H](O)CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000878241902 597589318 /nfs/dbraw/zinc/58/93/18/597589318.db2.gz JUTJYJAZPKBKQQ-CABCVRRESA-N 1 2 331.478 1.108 20 30 EDEDLO C#CC[C@H](CO)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000878626497 597659744 /nfs/dbraw/zinc/65/97/44/597659744.db2.gz CZHNXPJSPJJHAT-RHSMWYFYSA-N 1 2 331.416 1.586 20 30 EDEDLO CO[C@H]1COCC[C@@H]1[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000880433561 597933532 /nfs/dbraw/zinc/93/35/32/597933532.db2.gz OYACXOSYDXUNLE-HOTGVXAUSA-N 1 2 338.429 1.068 20 30 EDEDLO CO[C@H]1COCC[C@@H]1[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000880433561 597933533 /nfs/dbraw/zinc/93/35/33/597933533.db2.gz OYACXOSYDXUNLE-HOTGVXAUSA-N 1 2 338.429 1.068 20 30 EDEDLO N#Cc1cc(Cl)ccc1Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883992718 597964448 /nfs/dbraw/zinc/96/44/48/597964448.db2.gz CFPRYOZPOZPHFU-UHFFFAOYSA-N 1 2 331.807 1.808 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000884059019 597982170 /nfs/dbraw/zinc/98/21/70/597982170.db2.gz CMDROAMESYNNPD-RISCZKNCSA-N 1 2 336.388 1.328 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000884062040 597983093 /nfs/dbraw/zinc/98/30/93/597983093.db2.gz DTGRGASPUGRCFK-QWHCGFSZSA-N 1 2 338.404 1.925 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1ccccc1OC)C1CC1 ZINC000884075031 597986623 /nfs/dbraw/zinc/98/66/23/597986623.db2.gz KPOBNLHANJUELW-HNNXBMFYSA-N 1 2 332.400 1.633 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1c(F)c(F)cc(F)c1F ZINC000884170876 598013507 /nfs/dbraw/zinc/01/35/07/598013507.db2.gz HXQHDFIHRCDOID-JTQLQIEISA-N 1 2 334.269 1.306 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000884222040 598034239 /nfs/dbraw/zinc/03/42/39/598034239.db2.gz GUHXQZCNTCJDSU-ZBFHGGJFSA-N 1 2 331.416 1.218 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(Cl)c(F)c1 ZINC000884322072 598066085 /nfs/dbraw/zinc/06/60/85/598066085.db2.gz FLKBKICFIGDZHH-ZDUSSCGKSA-N 1 2 328.771 1.884 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882837261 598074766 /nfs/dbraw/zinc/07/47/66/598074766.db2.gz CTHRCQBZOPALRL-HOCLYGCPSA-N 1 2 347.444 1.550 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC000884413799 598097881 /nfs/dbraw/zinc/09/78/81/598097881.db2.gz DMOFNRUUOFYACM-CVEARBPZSA-N 1 2 331.416 1.170 20 30 EDEDLO C=CCn1cc(C(=O)NC2C[NH+](CCc3ccc(C)cc3)C2)nn1 ZINC001031070060 695460807 /nfs/dbraw/zinc/46/08/07/695460807.db2.gz MWUYMKQMGYFCGR-UHFFFAOYSA-N 1 2 325.416 1.429 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001031077537 695478913 /nfs/dbraw/zinc/47/89/13/695478913.db2.gz YTFPZWWGMIFAPL-OTWHNJEPSA-N 1 2 344.455 1.892 20 30 EDEDLO C=CCOc1cccnc1C(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001031231895 695922425 /nfs/dbraw/zinc/92/24/25/695922425.db2.gz PMPCYGXQJOJVHD-HNNXBMFYSA-N 1 2 345.443 1.876 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000993315239 695955912 /nfs/dbraw/zinc/95/59/12/695955912.db2.gz LYFDTQCGOPXCSF-SCLBCKFNSA-N 1 2 330.432 1.471 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2(C)CCC2)C1 ZINC000993636399 696271162 /nfs/dbraw/zinc/27/11/62/696271162.db2.gz OYIAYXWPULNQJJ-MGPQQGTHSA-N 1 2 343.431 1.181 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@@H]1C ZINC000993702089 696336187 /nfs/dbraw/zinc/33/61/87/696336187.db2.gz ILDHIXQETHCLMU-WCQYABFASA-N 1 2 348.838 1.699 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@@H]1C ZINC000993702089 696336189 /nfs/dbraw/zinc/33/61/89/696336189.db2.gz ILDHIXQETHCLMU-WCQYABFASA-N 1 2 348.838 1.699 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000993755748 696350455 /nfs/dbraw/zinc/35/04/55/696350455.db2.gz ZGRYFMJFYVIJQR-DOMZBBRYSA-N 1 2 333.819 1.146 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)C(N)=O)CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000993755748 696350457 /nfs/dbraw/zinc/35/04/57/696350457.db2.gz ZGRYFMJFYVIJQR-DOMZBBRYSA-N 1 2 333.819 1.146 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C)no3)[C@H]2C)nn1 ZINC000993955884 696462804 /nfs/dbraw/zinc/46/28/04/696462804.db2.gz XWFCIWDDXQZDPY-ZFWWWQNUSA-N 1 2 344.419 1.543 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C)no3)[C@H]2C)nn1 ZINC000993955884 696462806 /nfs/dbraw/zinc/46/28/06/696462806.db2.gz XWFCIWDDXQZDPY-ZFWWWQNUSA-N 1 2 344.419 1.543 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnc(C)cn3)[C@H]2C)nc1 ZINC000994243759 696616716 /nfs/dbraw/zinc/61/67/16/696616716.db2.gz TZQMWSKXELRVHN-MAUKXSAKSA-N 1 2 349.438 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnc(C)cn3)[C@H]2C)nc1 ZINC000994243759 696616718 /nfs/dbraw/zinc/61/67/18/696616718.db2.gz TZQMWSKXELRVHN-MAUKXSAKSA-N 1 2 349.438 1.944 20 30 EDEDLO C=CC[N@H+](CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000917071746 696910645 /nfs/dbraw/zinc/91/06/45/696910645.db2.gz YQZGYSAJZLSYKK-INIZCTEOSA-N 1 2 342.505 1.841 20 30 EDEDLO C=CC[N@@H+](CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000917071746 696910647 /nfs/dbraw/zinc/91/06/47/696910647.db2.gz YQZGYSAJZLSYKK-INIZCTEOSA-N 1 2 342.505 1.841 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060721607 697195965 /nfs/dbraw/zinc/19/59/65/697195965.db2.gz WUEMUJTWXWSVDO-DEYYWGMASA-N 1 2 348.447 1.071 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)no1 ZINC001031531462 697216513 /nfs/dbraw/zinc/21/65/13/697216513.db2.gz WHKZVWSSYYPNGH-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3cccc(=O)[nH]3)C2)ccc1F ZINC001031599642 697299903 /nfs/dbraw/zinc/29/99/03/697299903.db2.gz AFYRCNXVPACPDK-UHFFFAOYSA-N 1 2 340.358 1.660 20 30 EDEDLO COc1cc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)on1 ZINC001031624316 697357604 /nfs/dbraw/zinc/35/76/04/697357604.db2.gz BITQXYVOYCYSDD-UHFFFAOYSA-N 1 2 344.346 1.556 20 30 EDEDLO CCn1ccnc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031636090 697383340 /nfs/dbraw/zinc/38/33/40/697383340.db2.gz NONDWKXBEQVZOU-UHFFFAOYSA-N 1 2 341.390 1.776 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000920835284 697484139 /nfs/dbraw/zinc/48/41/39/697484139.db2.gz FHHBKGFOCMDNGY-HOTGVXAUSA-N 1 2 326.400 1.387 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921323763 697565065 /nfs/dbraw/zinc/56/50/65/697565065.db2.gz NDZGMLMFQWKQEV-KBPBESRZSA-N 1 2 337.470 1.416 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921323763 697565066 /nfs/dbraw/zinc/56/50/66/697565066.db2.gz NDZGMLMFQWKQEV-KBPBESRZSA-N 1 2 337.470 1.416 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2c(CC)c(CC)n[nH]c2=O)C1 ZINC001031708573 697701659 /nfs/dbraw/zinc/70/16/59/697701659.db2.gz PXAGZDVAZAFIRK-UHFFFAOYSA-N 1 2 338.839 1.721 20 30 EDEDLO Cc1conc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032107682 698888667 /nfs/dbraw/zinc/88/86/67/698888667.db2.gz RVVNYLRMWCADJN-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000941508154 701563468 /nfs/dbraw/zinc/56/34/68/701563468.db2.gz NIEVUAJUWKKPFG-UHFFFAOYSA-N 1 2 336.395 1.239 20 30 EDEDLO C=C(Br)C[NH2+][C@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1C ZINC000939158874 699285917 /nfs/dbraw/zinc/28/59/17/699285917.db2.gz RQLGGJWXGCNEQT-CABZTGNLSA-N 1 2 342.241 1.082 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4sccc4[nH]3)CC2)C1 ZINC000941626748 701599011 /nfs/dbraw/zinc/59/90/11/701599011.db2.gz SSIAJNWLVOBIKN-UHFFFAOYSA-N 1 2 328.441 1.305 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)n(C(C)C)n3)CC2)C1 ZINC000941691783 701636331 /nfs/dbraw/zinc/63/63/31/701636331.db2.gz CPFZSEHEVSNIHQ-UHFFFAOYSA-N 1 2 343.475 1.238 20 30 EDEDLO CC1(C)C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940664589 700823893 /nfs/dbraw/zinc/82/38/93/700823893.db2.gz KZVCVVRUBHWKLJ-HNNXBMFYSA-N 1 2 327.388 1.905 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940664589 700823895 /nfs/dbraw/zinc/82/38/95/700823895.db2.gz KZVCVVRUBHWKLJ-HNNXBMFYSA-N 1 2 327.388 1.905 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000941162367 701226962 /nfs/dbraw/zinc/22/69/62/701226962.db2.gz ZNIZTJCJVUCZGM-MRXNPFEDSA-N 1 2 338.415 1.621 20 30 EDEDLO C=C[C@H](C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1)c1ccccc1 ZINC000941309901 701467119 /nfs/dbraw/zinc/46/71/19/701467119.db2.gz OXQITFKEVUNUQB-SJORKVTESA-N 1 2 338.411 1.570 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCO[C@H]3C(C)C)CC2)C1 ZINC000941413258 701528543 /nfs/dbraw/zinc/52/85/43/701528543.db2.gz UPIQZIGUXGEEMQ-OALUTQOASA-N 1 2 347.503 1.289 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3conc3C3CCCC3)CC2)C1 ZINC000941433071 701538726 /nfs/dbraw/zinc/53/87/26/701538726.db2.gz LVENMCGMXQOPJO-UHFFFAOYSA-N 1 2 342.443 1.407 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)o1 ZINC000941928334 702152920 /nfs/dbraw/zinc/15/29/20/702152920.db2.gz DBENNCYXRGXZRS-GXFFZTMASA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)o1 ZINC000941928334 702152927 /nfs/dbraw/zinc/15/29/27/702152927.db2.gz DBENNCYXRGXZRS-GXFFZTMASA-N 1 2 328.376 1.218 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001031986670 702386208 /nfs/dbraw/zinc/38/62/08/702386208.db2.gz APLATQSFFNTXJN-CABCVRRESA-N 1 2 335.835 1.874 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]([NH2+]Cc2nc(COC)no2)C(C)(C)C1 ZINC000996133116 702563589 /nfs/dbraw/zinc/56/35/89/702563589.db2.gz FEHSTRHYOPRGRV-GFCCVEGCSA-N 1 2 336.436 1.755 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nnc(C)[nH]2)C[C@@H]1C ZINC000942130998 702635353 /nfs/dbraw/zinc/63/53/53/702635353.db2.gz QYVLGCHFGNIJFC-ZFWWWQNUSA-N 1 2 342.447 1.741 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nnc(C)[nH]2)C[C@@H]1C ZINC000942130998 702635354 /nfs/dbraw/zinc/63/53/54/702635354.db2.gz QYVLGCHFGNIJFC-ZFWWWQNUSA-N 1 2 342.447 1.741 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000942278223 702792002 /nfs/dbraw/zinc/79/20/02/702792002.db2.gz AKSANOMQIANQNF-KEYYUXOJSA-N 1 2 346.431 1.041 20 30 EDEDLO CC[C@@H](OC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC)c(C#N)c1 ZINC001032310958 702957275 /nfs/dbraw/zinc/95/72/75/702957275.db2.gz QJFKFAFXNOKVAR-YESZJQIVSA-N 1 2 343.427 1.777 20 30 EDEDLO CC[C@@H](OC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC)c(C#N)c1 ZINC001032310958 702957276 /nfs/dbraw/zinc/95/72/76/702957276.db2.gz 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccnc2OC)C1 ZINC001032046863 703290009 /nfs/dbraw/zinc/29/00/09/703290009.db2.gz FXNLJMHXWJQXKV-IRXDYDNUSA-N 1 2 345.443 1.619 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc([C@H]2CCCO2)n1 ZINC001032406421 703430406 /nfs/dbraw/zinc/43/04/06/703430406.db2.gz ZDELSNLECUUQIO-KCQAQPDRSA-N 1 2 331.441 1.917 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc([C@H]2CCCO2)n1 ZINC001032406421 703430407 /nfs/dbraw/zinc/43/04/07/703430407.db2.gz ZDELSNLECUUQIO-KCQAQPDRSA-N 1 2 331.441 1.917 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2nncn2C)CC1 ZINC000997308736 703566651 /nfs/dbraw/zinc/56/66/51/703566651.db2.gz IVKYDGTVBCXKMK-BMFZPTHFSA-N 1 2 347.463 1.123 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000921589549 703630656 /nfs/dbraw/zinc/63/06/56/703630656.db2.gz MSLLRFSVKWYMLE-WMZOPIPTSA-N 1 2 340.427 1.925 20 30 EDEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001032485670 703741466 /nfs/dbraw/zinc/74/14/66/703741466.db2.gz ZCRDWKBRPDNXRD-IHRRRGAJSA-N 1 2 334.851 1.861 20 30 EDEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001032485670 703741467 /nfs/dbraw/zinc/74/14/67/703741467.db2.gz ZCRDWKBRPDNXRD-IHRRRGAJSA-N 1 2 334.851 1.861 20 30 EDEDLO Cc1cc(C#N)nc(NC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC001060862914 703768330 /nfs/dbraw/zinc/76/83/30/703768330.db2.gz APORPYMOXYBVGV-ZDUSSCGKSA-N 1 2 339.403 1.273 20 30 EDEDLO C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864674 703776890 /nfs/dbraw/zinc/77/68/90/703776890.db2.gz YMYWXRHUTSMCOE-SHTZXODSSA-N 1 2 330.432 1.547 20 30 EDEDLO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033061607 703975788 /nfs/dbraw/zinc/97/57/88/703975788.db2.gz PJSNMXGFKOFGLA-AWEZNQCLSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033061607 703975791 /nfs/dbraw/zinc/97/57/91/703975791.db2.gz PJSNMXGFKOFGLA-AWEZNQCLSA-N 1 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Cn1ncc(Cl)c1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004436632 704411144 /nfs/dbraw/zinc/41/11/44/704411144.db2.gz GSUNFEGZBIUCST-CQSZACIVSA-N 1 2 335.839 1.914 20 30 EDEDLO Cn1ncc(Cl)c1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004436632 704411146 /nfs/dbraw/zinc/41/11/46/704411146.db2.gz GSUNFEGZBIUCST-CQSZACIVSA-N 1 2 335.839 1.914 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3n2CCOC3)CC1 ZINC001004462553 704455743 /nfs/dbraw/zinc/45/57/43/704455743.db2.gz GBXAGIAVDYIWAY-HNNXBMFYSA-N 1 2 343.431 1.253 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3n2CCOC3)CC1 ZINC001004462553 704455745 /nfs/dbraw/zinc/45/57/45/704455745.db2.gz GBXAGIAVDYIWAY-HNNXBMFYSA-N 1 2 343.431 1.253 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H](C)C(=O)N(C)C)cc1 ZINC001032555153 704718835 /nfs/dbraw/zinc/71/88/35/704718835.db2.gz BHKCKIIFAXRIAF-COXVUDFISA-N 1 2 325.412 1.043 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H](C)C(=O)N(C)C)cc1 ZINC001032555153 704718837 /nfs/dbraw/zinc/71/88/37/704718837.db2.gz BHKCKIIFAXRIAF-COXVUDFISA-N 1 2 325.412 1.043 20 30 EDEDLO Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032581792 705011463 /nfs/dbraw/zinc/01/14/63/705011463.db2.gz MNUACDKQXFMJNQ-IRXDYDNUSA-N 1 2 348.406 1.441 20 30 EDEDLO Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032581792 705011470 /nfs/dbraw/zinc/01/14/70/705011470.db2.gz MNUACDKQXFMJNQ-IRXDYDNUSA-N 1 2 348.406 1.441 20 30 EDEDLO Cc1nc([C@@H](C)[NH2+]C2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)no1 ZINC000998646793 706082641 /nfs/dbraw/zinc/08/26/41/706082641.db2.gz SKXNTXOKYOCEEJ-UHEGKEBESA-N 1 2 328.376 1.532 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)C2CC([NH2+]Cc3noc(CC)n3)C2)c1 ZINC000999376276 706870452 /nfs/dbraw/zinc/87/04/52/706870452.db2.gz LRKOJHJOUINPCP-UHFFFAOYSA-N 1 2 339.399 1.401 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)C2CC([NH2+][C@@H](C)c3noc(C)n3)C2)cn1 ZINC000999712485 707308672 /nfs/dbraw/zinc/30/86/72/707308672.db2.gz GUEMSXJCKAGWSG-SOISORPOSA-N 1 2 339.399 1.708 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](C)[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001005112731 707592688 /nfs/dbraw/zinc/59/26/88/707592688.db2.gz RAVMWPOMCKORHT-BBRMVZONSA-N 1 2 344.459 1.970 20 30 EDEDLO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033338074 707601103 /nfs/dbraw/zinc/60/11/03/707601103.db2.gz UZHMBZICCMYDRZ-BDXSIMOUSA-N 1 2 343.402 1.622 20 30 EDEDLO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033338074 707601106 /nfs/dbraw/zinc/60/11/06/707601106.db2.gz UZHMBZICCMYDRZ-BDXSIMOUSA-N 1 2 343.402 1.622 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CNc2nc(C)ccc2C#N)C1 ZINC001060902963 707715563 /nfs/dbraw/zinc/71/55/63/707715563.db2.gz RQVUHRJHHHONAM-AWEZNQCLSA-N 1 2 338.415 1.796 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001033412052 707777106 /nfs/dbraw/zinc/77/71/06/707777106.db2.gz FTKQLVXKMWIKIB-LBPRGKRZSA-N 1 2 325.844 1.932 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ncn(C(C)(C)C)n2)C1 ZINC001033412052 707777109 /nfs/dbraw/zinc/77/71/09/707777109.db2.gz FTKQLVXKMWIKIB-LBPRGKRZSA-N 1 2 325.844 1.932 20 30 EDEDLO CN(C(=O)c1n[nH]cc1F)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033401575 707808702 /nfs/dbraw/zinc/80/87/02/707808702.db2.gz VAIQZJWGYZLYMI-CQSZACIVSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1n[nH]cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033401575 707808706 /nfs/dbraw/zinc/80/87/06/707808706.db2.gz VAIQZJWGYZLYMI-CQSZACIVSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033501535 707968291 /nfs/dbraw/zinc/96/82/91/707968291.db2.gz GLRFGDPIJOLUFY-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033501535 707968292 /nfs/dbraw/zinc/96/82/92/707968292.db2.gz GLRFGDPIJOLUFY-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033505583 707974349 /nfs/dbraw/zinc/97/43/49/707974349.db2.gz SIQATVRJKAWXGC-MRXNPFEDSA-N 1 2 341.390 1.152 20 30 EDEDLO CN(C(=O)c1cnn(C)n1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033505583 707974351 /nfs/dbraw/zinc/97/43/51/707974351.db2.gz SIQATVRJKAWXGC-MRXNPFEDSA-N 1 2 341.390 1.152 20 30 EDEDLO C=CCCC(=O)N1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001060942716 708001355 /nfs/dbraw/zinc/00/13/55/708001355.db2.gz NTVUBOKBAYEJMR-UHFFFAOYSA-N 1 2 330.432 1.690 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001016227081 708072900 /nfs/dbraw/zinc/07/29/00/708072900.db2.gz UPWUGRMNZHORRL-UONOGXRCSA-N 1 2 339.867 1.721 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001016227081 708072901 /nfs/dbraw/zinc/07/29/01/708072901.db2.gz UPWUGRMNZHORRL-UONOGXRCSA-N 1 2 339.867 1.721 20 30 EDEDLO CN(C(=O)c1ccncn1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033510030 708103315 /nfs/dbraw/zinc/10/33/15/708103315.db2.gz SNNULQISCPNJJL-KRWDZBQOSA-N 1 2 338.386 1.814 20 30 EDEDLO CN(C(=O)c1ccncn1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033510030 708103316 /nfs/dbraw/zinc/10/33/16/708103316.db2.gz SNNULQISCPNJJL-KRWDZBQOSA-N 1 2 338.386 1.814 20 30 EDEDLO C=C(Cl)CN1CCC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001756732 708280159 /nfs/dbraw/zinc/28/01/59/708280159.db2.gz JBHQHWHQTDIFOA-INIZCTEOSA-N 1 2 343.899 1.676 20 30 EDEDLO C=C(Cl)CN1CCC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001756732 708280164 /nfs/dbraw/zinc/28/01/64/708280164.db2.gz JBHQHWHQTDIFOA-INIZCTEOSA-N 1 2 343.899 1.676 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001061040496 708494102 /nfs/dbraw/zinc/49/41/02/708494102.db2.gz CTXMBSGKCMMAOX-HNNXBMFYSA-N 1 2 343.431 1.274 20 30 EDEDLO CC(C)(C)C#CC(=O)N1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001061043071 708516956 /nfs/dbraw/zinc/51/69/56/708516956.db2.gz JHPDFRBEIXLZTI-UHFFFAOYSA-N 1 2 342.443 1.384 20 30 EDEDLO C=C[C@H](CC)CC(=O)N1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001061043329 708518658 /nfs/dbraw/zinc/51/86/58/708518658.db2.gz PPPVWZPRLJXXDR-MRXNPFEDSA-N 1 2 344.459 1.936 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001005300621 708588324 /nfs/dbraw/zinc/58/83/24/708588324.db2.gz CKHITUMKPFAQDA-HIFRSBDPSA-N 1 2 330.432 1.662 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC001061099288 709079197 /nfs/dbraw/zinc/07/91/97/709079197.db2.gz VBRMXSXQQHURRK-OLZOCXBDSA-N 1 2 339.403 1.462 20 30 EDEDLO Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1C ZINC001034164698 709437885 /nfs/dbraw/zinc/43/78/85/709437885.db2.gz RKIWGVXUGDZAQE-HNNXBMFYSA-N 1 2 340.431 1.713 20 30 EDEDLO Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1C ZINC001034164698 709437886 /nfs/dbraw/zinc/43/78/86/709437886.db2.gz RKIWGVXUGDZAQE-HNNXBMFYSA-N 1 2 340.431 1.713 20 30 EDEDLO Cc1nc(N(C)[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)ccc1C#N ZINC001061217170 709752960 /nfs/dbraw/zinc/75/29/60/709752960.db2.gz GHJVJIQVKADWNT-MRXNPFEDSA-N 1 2 338.415 1.586 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001061745506 709905532 /nfs/dbraw/zinc/90/55/32/709905532.db2.gz ZRHFCLSYZGVNEW-HIFRSBDPSA-N 1 2 348.447 1.207 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(N(C)C)nn2)C1 ZINC001034494667 710117549 /nfs/dbraw/zinc/11/75/49/710117549.db2.gz VSVRTLNTYBIOSR-CYBMUJFWSA-N 1 2 337.855 1.879 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(N(C)C)nn2)C1 ZINC001034494667 710117551 /nfs/dbraw/zinc/11/75/51/710117551.db2.gz VSVRTLNTYBIOSR-CYBMUJFWSA-N 1 2 337.855 1.879 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2coc(OC)n2)CC1 ZINC001003385595 710304889 /nfs/dbraw/zinc/30/48/89/710304889.db2.gz OQWBJNZSJWNUNR-UHFFFAOYSA-N 1 2 344.209 1.786 20 30 EDEDLO C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001061764908 710315665 /nfs/dbraw/zinc/31/56/65/710315665.db2.gz BIVLQIJOLQZADM-MRXNPFEDSA-N 1 2 348.447 1.053 20 30 EDEDLO C=CCn1cc(C(=O)N2CCC[C@@H](N(C)c3cc[nH+]c(C)n3)C2)nn1 ZINC001061274736 710400203 /nfs/dbraw/zinc/40/02/03/710400203.db2.gz FRRMIOPETOODBO-CQSZACIVSA-N 1 2 341.419 1.304 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001003656005 710474079 /nfs/dbraw/zinc/47/40/79/710474079.db2.gz RDVHKEIOVMAHAD-GLQYFDAESA-N 1 2 334.420 1.611 20 30 EDEDLO C=CCn1cc(C(=O)NC2CC[NH+](Cc3coc(C)n3)CC2)nn1 ZINC001003760110 710532296 /nfs/dbraw/zinc/53/22/96/710532296.db2.gz XCDIUXOWIAAYNX-UHFFFAOYSA-N 1 2 330.392 1.155 20 30 EDEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC001032988169 711123514 /nfs/dbraw/zinc/12/35/14/711123514.db2.gz ZVPCIYSDXMEQRF-HNNXBMFYSA-N 1 2 343.431 1.091 20 30 EDEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC001032988169 711123516 /nfs/dbraw/zinc/12/35/16/711123516.db2.gz ZVPCIYSDXMEQRF-HNNXBMFYSA-N 1 2 343.431 1.091 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032982882 711132906 /nfs/dbraw/zinc/13/29/06/711132906.db2.gz WRXHIZHZHHLXSY-MRXNPFEDSA-N 1 2 341.390 1.696 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032982882 711132908 /nfs/dbraw/zinc/13/29/08/711132908.db2.gz WRXHIZHZHHLXSY-MRXNPFEDSA-N 1 2 341.390 1.696 20 30 EDEDLO COc1cncc(C[N@@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001033011904 711243996 /nfs/dbraw/zinc/24/39/96/711243996.db2.gz QJMCLLVVIPYZPK-AWEZNQCLSA-N 1 2 340.387 1.031 20 30 EDEDLO COc1cncc(C[N@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001033011904 711244001 /nfs/dbraw/zinc/24/40/01/711244001.db2.gz QJMCLLVVIPYZPK-AWEZNQCLSA-N 1 2 340.387 1.031 20 30 EDEDLO N#Cc1cnccc1N1CCC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001061414251 711605239 /nfs/dbraw/zinc/60/52/39/711605239.db2.gz ZKWYBJSZVGOSFR-OAHLLOKOSA-N 1 2 346.394 2.000 20 30 EDEDLO CO[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004499179 711889492 /nfs/dbraw/zinc/88/94/92/711889492.db2.gz QRLXJVRGOAVNEU-IAGOWNOFSA-N 1 2 345.447 1.334 20 30 EDEDLO CO[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004499179 711889493 /nfs/dbraw/zinc/88/94/93/711889493.db2.gz QRLXJVRGOAVNEU-IAGOWNOFSA-N 1 2 345.447 1.334 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001033151907 712138191 /nfs/dbraw/zinc/13/81/91/712138191.db2.gz NNZIIFLKOVMVAM-BBRMVZONSA-N 1 2 347.846 1.799 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CNC(=O)c3ccccc32)C1 ZINC001033151907 712138192 /nfs/dbraw/zinc/13/81/92/712138192.db2.gz NNZIIFLKOVMVAM-BBRMVZONSA-N 1 2 347.846 1.799 20 30 EDEDLO C#CC[N@@H+](CN1C(=O)C(=O)N(C(C)C)C1=O)[C@@H]1CCc2ccccc21 ZINC000054516435 214241863 /nfs/dbraw/zinc/24/18/63/214241863.db2.gz MJHSHPXINZXYIG-MRXNPFEDSA-N 1 2 339.395 1.766 20 30 EDEDLO C#CC[N@H+](CN1C(=O)C(=O)N(C(C)C)C1=O)[C@@H]1CCc2ccccc21 ZINC000054516435 214241866 /nfs/dbraw/zinc/24/18/66/214241866.db2.gz MJHSHPXINZXYIG-MRXNPFEDSA-N 1 2 339.395 1.766 20 30 EDEDLO CCc1nc(CN2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)no1 ZINC000135202185 529736805 /nfs/dbraw/zinc/73/68/05/529736805.db2.gz LVHCXRKHSHZOFG-UHFFFAOYSA-N 1 2 341.415 1.830 20 30 EDEDLO CNC(=O)CC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000175034058 529846092 /nfs/dbraw/zinc/84/60/92/529846092.db2.gz MFGFTCDRWXCKGB-UHFFFAOYSA-N 1 2 348.834 1.998 20 30 EDEDLO O=C(C[NH+]1CCN(c2nc3ccccc3o2)CC1)NC(=O)NC1CC1 ZINC000329150721 539417451 /nfs/dbraw/zinc/41/74/51/539417451.db2.gz RUOWAKOLJIAPHL-UHFFFAOYSA-N 1 2 343.387 1.983 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CCCO2)CCC(=O)N1C1CC1 ZINC000329550328 539443833 /nfs/dbraw/zinc/44/38/33/539443833.db2.gz AGCLZXNBJLGYRL-IUODEOHRSA-N 1 2 333.392 1.166 20 30 EDEDLO O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCn2c[nH+]cc2C1 ZINC000329622251 539450586 /nfs/dbraw/zinc/45/05/86/539450586.db2.gz RSUYJKQQQRFKRZ-AWEZNQCLSA-N 1 2 346.412 1.531 20 30 EDEDLO O=C(N[C@@H]1CCc2c1cccc2O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329748185 539462400 /nfs/dbraw/zinc/46/24/00/539462400.db2.gz SUDMEGHOUZUEHO-CZUORRHYSA-N 1 2 331.416 1.700 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000073868064 138221504 /nfs/dbraw/zinc/22/15/04/138221504.db2.gz JUTKNICNNHDHNI-GOSISDBHSA-N 1 2 347.422 1.881 20 30 EDEDLO N#Cc1cccc(OC2CC[NH+](Cc3cc(=O)n4[nH]ccc4n3)CC2)c1 ZINC000108865747 138305428 /nfs/dbraw/zinc/30/54/28/138305428.db2.gz LZGARLQNKYWIGE-UHFFFAOYSA-N 1 2 349.394 1.938 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2)cn1 ZINC000171417568 138656554 /nfs/dbraw/zinc/65/65/54/138656554.db2.gz NKBAGZXXZKBNAG-UHFFFAOYSA-N 1 2 340.368 1.012 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1)C1(C#N)CCCCC1 ZINC000089153333 237002073 /nfs/dbraw/zinc/00/20/73/237002073.db2.gz DCGRJDCNFSTOSZ-HOTGVXAUSA-N 1 2 335.448 1.551 20 30 EDEDLO CN(C(=O)C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1)C1(C#N)CCCCC1 ZINC000089153333 237002087 /nfs/dbraw/zinc/00/20/87/237002087.db2.gz DCGRJDCNFSTOSZ-HOTGVXAUSA-N 1 2 335.448 1.551 20 30 EDEDLO C[C@@H](c1cccnc1)[NH+]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000357866964 296242473 /nfs/dbraw/zinc/24/24/73/296242473.db2.gz HGIAIBOEPFGHLP-KXBFYZLASA-N 1 2 349.438 1.858 20 30 EDEDLO C#CCNC(=O)c1ccc(N2CC[NH+](Cc3cccnc3)CC2)nc1 ZINC000264922995 249337924 /nfs/dbraw/zinc/33/79/24/249337924.db2.gz WIPMFUBKOWQKFM-UHFFFAOYSA-N 1 2 335.411 1.162 20 30 EDEDLO CC[N@@H+](CCC#N)CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000266961876 249353978 /nfs/dbraw/zinc/35/39/78/249353978.db2.gz WXGDAUSCGOBIOY-UHFFFAOYSA-N 1 2 325.434 1.551 20 30 EDEDLO CC[N@H+](CCC#N)CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000266961876 249353981 /nfs/dbraw/zinc/35/39/81/249353981.db2.gz WXGDAUSCGOBIOY-UHFFFAOYSA-N 1 2 325.434 1.551 20 30 EDEDLO N#CCCn1ccc(NC(=O)c2ccccc2C[NH+]2CCOCC2)n1 ZINC000266902590 249350567 /nfs/dbraw/zinc/35/05/67/249350567.db2.gz QCOAMQURPQMLJD-UHFFFAOYSA-N 1 2 339.399 1.881 20 30 EDEDLO COCC1(C#N)CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000341968005 250005361 /nfs/dbraw/zinc/00/53/61/250005361.db2.gz AAFZMKXOWQCSBA-ZDUSSCGKSA-N 1 2 344.415 1.365 20 30 EDEDLO CC#CCCCC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351909697 250066557 /nfs/dbraw/zinc/06/65/57/250066557.db2.gz VQKWTVAYDAHJOG-IRXDYDNUSA-N 1 2 334.439 1.985 20 30 EDEDLO CC#CCCCC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351909697 250066562 /nfs/dbraw/zinc/06/65/62/250066562.db2.gz VQKWTVAYDAHJOG-IRXDYDNUSA-N 1 2 334.439 1.985 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000352239220 250075671 /nfs/dbraw/zinc/07/56/71/250075671.db2.gz TWTQWKHGMQZQPN-LSDHHAIUSA-N 1 2 347.463 1.476 20 30 EDEDLO C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000354693892 250097413 /nfs/dbraw/zinc/09/74/13/250097413.db2.gz PIDDUVUNPCZERU-ZDUSSCGKSA-N 1 2 341.367 1.784 20 30 EDEDLO C=CCOC[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)C(=O)OC ZINC000361109181 250171410 /nfs/dbraw/zinc/17/14/10/250171410.db2.gz MOVQJHSYLWUJIK-OAHLLOKOSA-N 1 2 336.388 1.218 20 30 EDEDLO CN1CC[N@H+](C)C[C@H]1c1noc([C@@]2(C#N)CCc3ccccc3C2)n1 ZINC000371914786 250214965 /nfs/dbraw/zinc/21/49/65/250214965.db2.gz HNYHRKVHBKFKMJ-LPHOPBHVSA-N 1 2 337.427 1.938 20 30 EDEDLO CN1CC[N@@H+](C)C[C@H]1c1noc([C@@]2(C#N)CCc3ccccc3C2)n1 ZINC000371914786 250214967 /nfs/dbraw/zinc/21/49/67/250214967.db2.gz HNYHRKVHBKFKMJ-LPHOPBHVSA-N 1 2 337.427 1.938 20 30 EDEDLO N#CC1(NC(=O)C[NH+]2CCC(Oc3cnccn3)CC2)CCCCC1 ZINC000373234219 250234935 /nfs/dbraw/zinc/23/49/35/250234935.db2.gz XPECXBMIQRLWHC-UHFFFAOYSA-N 1 2 343.431 1.662 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000374452209 250265306 /nfs/dbraw/zinc/26/53/06/250265306.db2.gz LCQCGWRPLHJYAB-CYBMUJFWSA-N 1 2 347.444 1.513 20 30 EDEDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000495928544 269688234 /nfs/dbraw/zinc/68/82/34/269688234.db2.gz AIMDEUFXZFEKRM-UHFFFAOYSA-N 1 2 346.431 1.623 20 30 EDEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000495928544 269688235 /nfs/dbraw/zinc/68/82/35/269688235.db2.gz AIMDEUFXZFEKRM-UHFFFAOYSA-N 1 2 346.431 1.623 20 30 EDEDLO C=CCn1cc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)nn1 ZINC000424299712 252192762 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C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC000491665563 255137615 /nfs/dbraw/zinc/13/76/15/255137615.db2.gz SGEGPCFPJDNBAH-IRXDYDNUSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000491628307 255133805 /nfs/dbraw/zinc/13/38/05/255133805.db2.gz LYASNZMXAKCPBE-ZDUSSCGKSA-N 1 2 338.411 1.858 20 30 EDEDLO COC(=O)Nc1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000496323396 255380889 /nfs/dbraw/zinc/38/08/89/255380889.db2.gz IYYCWWMUNRJZAQ-UHFFFAOYSA-N 1 2 332.404 1.963 20 30 EDEDLO COC(=O)Nc1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000496323396 255380890 /nfs/dbraw/zinc/38/08/90/255380890.db2.gz IYYCWWMUNRJZAQ-UHFFFAOYSA-N 1 2 332.404 1.963 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000496258634 255371772 /nfs/dbraw/zinc/37/17/72/255371772.db2.gz YVENSTZHIQPSCK-CABCVRRESA-N 1 2 330.388 1.247 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000496258634 255371773 /nfs/dbraw/zinc/37/17/73/255371773.db2.gz YVENSTZHIQPSCK-CABCVRRESA-N 1 2 330.388 1.247 20 30 EDEDLO C[C@H]1c2ccccc2O[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000117776367 221088866 /nfs/dbraw/zinc/08/88/66/221088866.db2.gz BUNOITAFTRWMKB-MAUKXSAKSA-N 1 2 343.427 1.626 20 30 EDEDLO N#Cc1ccc(Cn2cnc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)n2)cc1 ZINC000119298762 221287975 /nfs/dbraw/zinc/28/79/75/221287975.db2.gz HYHFPFOIICWXTB-HNNXBMFYSA-N 1 2 347.382 1.596 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270845998 140181646 /nfs/dbraw/zinc/18/16/46/140181646.db2.gz FXUZQRMREUUCPZ-UKRRQHHQSA-N 1 2 326.400 1.582 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270845998 140181647 /nfs/dbraw/zinc/18/16/47/140181647.db2.gz FXUZQRMREUUCPZ-UKRRQHHQSA-N 1 2 326.400 1.582 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000270927813 140200773 /nfs/dbraw/zinc/20/07/73/140200773.db2.gz PUKGWZNVHJXJOP-ZDUSSCGKSA-N 1 2 330.388 1.403 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000270927813 140200775 /nfs/dbraw/zinc/20/07/75/140200775.db2.gz PUKGWZNVHJXJOP-ZDUSSCGKSA-N 1 2 330.388 1.403 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C(C)(C)C1 ZINC000271052727 140227659 /nfs/dbraw/zinc/22/76/59/140227659.db2.gz QEUPYGJSDVDOCV-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C(C)(C)C1 ZINC000271052727 140227660 /nfs/dbraw/zinc/22/76/60/140227660.db2.gz QEUPYGJSDVDOCV-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000332567184 141204737 /nfs/dbraw/zinc/20/47/37/141204737.db2.gz BSZHAYXGPRUVIE-CVEARBPZSA-N 1 2 332.379 1.312 20 30 EDEDLO COCCN1C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000332567184 141204738 /nfs/dbraw/zinc/20/47/38/141204738.db2.gz BSZHAYXGPRUVIE-CVEARBPZSA-N 1 2 332.379 1.312 20 30 EDEDLO C[C@@H](NC(=O)C(=O)NCc1cn2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000339701208 142125153 /nfs/dbraw/zinc/12/51/53/142125153.db2.gz YAXHAWFZAGWXJF-CYBMUJFWSA-N 1 2 347.378 1.700 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)c[nH]1 ZINC000572914784 306603479 /nfs/dbraw/zinc/60/34/79/306603479.db2.gz ZOQYRZRQJHFDCU-UHFFFAOYSA-N 1 2 325.372 1.390 20 30 EDEDLO CCCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355100446 150117144 /nfs/dbraw/zinc/11/71/44/150117144.db2.gz HZDDMJHEFSAZLC-OAHLLOKOSA-N 1 2 329.448 1.770 20 30 EDEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000355129288 150129952 /nfs/dbraw/zinc/12/99/52/150129952.db2.gz RYXGTARCRHVLDB-HNNXBMFYSA-N 1 2 327.432 1.334 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000355134305 150131423 /nfs/dbraw/zinc/13/14/23/150131423.db2.gz YVIFTRFDWHZWMO-UHFFFAOYSA-N 1 2 335.411 1.738 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)c1 ZINC000370068193 155310066 /nfs/dbraw/zinc/31/00/66/155310066.db2.gz VMVZVPYBWNESGM-UHFFFAOYSA-N 1 2 341.415 1.241 20 30 EDEDLO CCN1CCO[C@@H](C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000363957722 153107926 /nfs/dbraw/zinc/10/79/26/153107926.db2.gz DTCBBJFHCVAAFA-OAHLLOKOSA-N 1 2 332.423 1.540 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(C(=O)Nc3cccc(C#N)c3)CC2)C(=O)C1 ZINC000365009112 153396755 /nfs/dbraw/zinc/39/67/55/153396755.db2.gz GHAIIVZKESEDCU-UHFFFAOYSA-N 1 2 341.415 1.329 20 30 EDEDLO C[N@H+]1CCN(C2CCN(C(=O)Nc3cccc(C#N)c3)CC2)C(=O)C1 ZINC000365009112 153396757 /nfs/dbraw/zinc/39/67/57/153396757.db2.gz GHAIIVZKESEDCU-UHFFFAOYSA-N 1 2 341.415 1.329 20 30 EDEDLO N#Cc1c(Cl)nsc1N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000370234054 155392633 /nfs/dbraw/zinc/39/26/33/155392633.db2.gz VSWFYCQFVFKEAY-UHFFFAOYSA-N 1 2 339.852 1.588 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1 ZINC000369598262 155104140 /nfs/dbraw/zinc/10/41/40/155104140.db2.gz XHJKHUQHSJMAHD-KBAYOESNSA-N 1 2 344.411 1.368 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)cc1 ZINC000369598262 155104142 /nfs/dbraw/zinc/10/41/42/155104142.db2.gz XHJKHUQHSJMAHD-KBAYOESNSA-N 1 2 344.411 1.368 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000378260857 158124003 /nfs/dbraw/zinc/12/40/03/158124003.db2.gz JEQNXJBHGKVAFC-OAHLLOKOSA-N 1 2 330.413 1.611 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000378552272 158206407 /nfs/dbraw/zinc/20/64/07/158206407.db2.gz QIVHJKSQXYQUOY-HNNXBMFYSA-N 1 2 337.383 1.385 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000352435225 162180583 /nfs/dbraw/zinc/18/05/83/162180583.db2.gz KMUDBMMOJMSZGJ-UHFFFAOYSA-N 1 2 345.418 1.956 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000352435225 162180586 /nfs/dbraw/zinc/18/05/86/162180586.db2.gz KMUDBMMOJMSZGJ-UHFFFAOYSA-N 1 2 345.418 1.956 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000301152386 269926142 /nfs/dbraw/zinc/92/61/42/269926142.db2.gz NWGXADLZDJEKID-UHFFFAOYSA-N 1 2 339.447 1.638 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000293652612 270011132 /nfs/dbraw/zinc/01/11/32/270011132.db2.gz HBCSHYFJWRDNSA-HNNXBMFYSA-N 1 2 325.372 1.299 20 30 EDEDLO CC[N@H+](CCCNC(=O)NCCn1cnc(C#N)n1)c1ccccc1 ZINC000286816810 266125800 /nfs/dbraw/zinc/12/58/00/266125800.db2.gz VYQVZHOIFSKWPS-UHFFFAOYSA-N 1 2 341.419 1.366 20 30 EDEDLO CC[N@@H+](CCCNC(=O)NCCn1cnc(C#N)n1)c1ccccc1 ZINC000286816810 266125802 /nfs/dbraw/zinc/12/58/02/266125802.db2.gz VYQVZHOIFSKWPS-UHFFFAOYSA-N 1 2 341.419 1.366 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000290295781 267110208 /nfs/dbraw/zinc/11/02/08/267110208.db2.gz WXSHHLZWEJRLGD-CZUORRHYSA-N 1 2 335.429 1.042 20 30 EDEDLO CCO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1C ZINC000451537910 267148309 /nfs/dbraw/zinc/14/83/09/267148309.db2.gz IWVJRPGQAIOWIP-DZGCQCFKSA-N 1 2 337.445 1.474 20 30 EDEDLO CCO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1C ZINC000451537910 267148311 /nfs/dbraw/zinc/14/83/11/267148311.db2.gz IWVJRPGQAIOWIP-DZGCQCFKSA-N 1 2 337.445 1.474 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)S1 ZINC000286648034 267242146 /nfs/dbraw/zinc/24/21/46/267242146.db2.gz CDTOSEDKJRLZMG-JTQLQIEISA-N 1 2 346.416 1.662 20 30 EDEDLO Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c(C#N)cc1N(C)C ZINC000331232935 267333587 /nfs/dbraw/zinc/33/35/87/267333587.db2.gz JJCZDUKHJCFSBJ-AWEZNQCLSA-N 1 2 345.447 1.979 20 30 EDEDLO CN1CCC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O ZINC000521765324 267335262 /nfs/dbraw/zinc/33/52/62/267335262.db2.gz VJHYNNCUGIIVNS-MRXNPFEDSA-N 1 2 332.835 1.954 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000438593800 267367497 /nfs/dbraw/zinc/36/74/97/267367497.db2.gz DFGHBRDAGDCRHB-HIFRSBDPSA-N 1 2 333.413 1.065 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000438593800 267367500 /nfs/dbraw/zinc/36/75/00/267367500.db2.gz DFGHBRDAGDCRHB-HIFRSBDPSA-N 1 2 333.413 1.065 20 30 EDEDLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000441649343 267391670 /nfs/dbraw/zinc/39/16/70/267391670.db2.gz GYTGPSPLMYYVCO-JKSUJKDBSA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000441649343 267391673 /nfs/dbraw/zinc/39/16/73/267391673.db2.gz GYTGPSPLMYYVCO-JKSUJKDBSA-N 1 2 346.383 1.364 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000343346569 268085750 /nfs/dbraw/zinc/08/57/50/268085750.db2.gz UAYLWNPNKCUHNX-WMZOPIPTSA-N 1 2 338.411 1.220 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000343346569 268085752 /nfs/dbraw/zinc/08/57/52/268085752.db2.gz UAYLWNPNKCUHNX-WMZOPIPTSA-N 1 2 338.411 1.220 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCn4c[nH+]cc4C3)C2)c(F)c1 ZINC000290946794 268122648 /nfs/dbraw/zinc/12/26/48/268122648.db2.gz PHVQQSLJSPWRJW-CQSZACIVSA-N 1 2 339.374 1.763 20 30 EDEDLO N#Cc1ccc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)nn1 ZINC000301841283 268152930 /nfs/dbraw/zinc/15/29/30/268152930.db2.gz PNFSJDZYKNBSEI-UHFFFAOYSA-N 1 2 336.399 1.863 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286382946 268266217 /nfs/dbraw/zinc/26/62/17/268266217.db2.gz GRWUFPCTTNNRDV-OCCSQVGLSA-N 1 2 341.333 1.989 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000286382946 268266218 /nfs/dbraw/zinc/26/62/18/268266218.db2.gz GRWUFPCTTNNRDV-OCCSQVGLSA-N 1 2 341.333 1.989 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(c3c(C#N)cnc4ccccc43)CC2)C(=O)C1 ZINC000378603318 277103569 /nfs/dbraw/zinc/10/35/69/277103569.db2.gz CKHRXMJZELUHNJ-UHFFFAOYSA-N 1 2 349.438 1.849 20 30 EDEDLO C[N@H+]1CCN(C2CCN(c3c(C#N)cnc4ccccc43)CC2)C(=O)C1 ZINC000378603318 277103572 /nfs/dbraw/zinc/10/35/72/277103572.db2.gz CKHRXMJZELUHNJ-UHFFFAOYSA-N 1 2 349.438 1.849 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C(=O)OC)c2ccc(F)cc2)CC1 ZINC000491045419 277688778 /nfs/dbraw/zinc/68/87/78/277688778.db2.gz KSLHHOPDFOJSDJ-MRXNPFEDSA-N 1 2 332.375 1.501 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000371507318 279376799 /nfs/dbraw/zinc/37/67/99/279376799.db2.gz ZMOQJXOZZJTDPF-INIZCTEOSA-N 1 2 344.440 1.903 20 30 EDEDLO C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000448706531 447345982 /nfs/dbraw/zinc/34/59/82/447345982.db2.gz GYWRHHASERHESA-LWGWVAHUSA-N 1 2 328.416 1.861 20 30 EDEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000414896430 447347827 /nfs/dbraw/zinc/34/78/27/447347827.db2.gz BRIUKRQUIBHQDW-CVEARBPZSA-N 1 2 349.394 1.901 20 30 EDEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)nn1C(C)C ZINC000448838681 447349316 /nfs/dbraw/zinc/34/93/16/447349316.db2.gz YYYSUVZADFXHTD-UHFFFAOYSA-N 1 2 333.436 1.461 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCCC1(F)F ZINC000448833764 447350122 /nfs/dbraw/zinc/35/01/22/447350122.db2.gz DWVLTFPAIQLWPW-AWEZNQCLSA-N 1 2 329.391 1.886 20 30 EDEDLO N#Cc1cccc(CC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000538698033 306032512 /nfs/dbraw/zinc/03/25/12/306032512.db2.gz DQRZZDCIGQEXOQ-SFHVURJKSA-N 1 2 343.427 1.050 20 30 EDEDLO CC[N@@H+]1CC[C@H](NC(=O)/C=N/OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000377889307 447385570 /nfs/dbraw/zinc/38/55/70/447385570.db2.gz NZNIPDCPZLCCEH-LZUHAEQRSA-N 1 2 329.322 1.988 20 30 EDEDLO CC[N@H+]1CC[C@H](NC(=O)/C=N/OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000377889307 447385577 /nfs/dbraw/zinc/38/55/77/447385577.db2.gz NZNIPDCPZLCCEH-LZUHAEQRSA-N 1 2 329.322 1.988 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000378458428 447431937 /nfs/dbraw/zinc/43/19/37/447431937.db2.gz DTTKAHKXQKCBLV-CQSZACIVSA-N 1 2 333.411 1.351 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695954 441115717 /nfs/dbraw/zinc/11/57/17/441115717.db2.gz SAHUACUGDMQETM-OFQRWUPVSA-N 1 2 331.416 1.849 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000070695954 441115718 /nfs/dbraw/zinc/11/57/18/441115718.db2.gz SAHUACUGDMQETM-OFQRWUPVSA-N 1 2 331.416 1.849 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3Cl)nn2)CC1 ZINC000057557349 441121823 /nfs/dbraw/zinc/12/18/23/441121823.db2.gz HCTIGXVFLYKIMK-UHFFFAOYSA-N 1 2 343.818 1.702 20 30 EDEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000072513669 441234191 /nfs/dbraw/zinc/23/41/91/441234191.db2.gz DCGWMFLIQNACGG-UHFFFAOYSA-N 1 2 340.474 1.035 20 30 EDEDLO CC[N@@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)C[C@@H](C)C#N ZINC000072580276 441239195 /nfs/dbraw/zinc/23/91/95/441239195.db2.gz ITQOZHHVMAYNKR-HNNXBMFYSA-N 1 2 332.423 1.956 20 30 EDEDLO CC[N@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)C[C@@H](C)C#N ZINC000072580276 441239198 /nfs/dbraw/zinc/23/91/98/441239198.db2.gz ITQOZHHVMAYNKR-HNNXBMFYSA-N 1 2 332.423 1.956 20 30 EDEDLO Cc1cccc2c1ncc(C#N)c2N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000081015942 441220563 /nfs/dbraw/zinc/22/05/63/441220563.db2.gz XKOBOCNWAQENMO-INIZCTEOSA-N 1 2 340.427 1.544 20 30 EDEDLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000060893618 441260653 /nfs/dbraw/zinc/26/06/53/441260653.db2.gz PFSQBZJKKSDIMF-UHFFFAOYSA-N 1 2 348.834 1.939 20 30 EDEDLO N#CCC[N@@H+](CC(=O)NCCN1CCc2ccccc21)CC1CC1 ZINC000081514783 441280290 /nfs/dbraw/zinc/28/02/90/441280290.db2.gz GHRHBIINCVJASW-UHFFFAOYSA-N 1 2 326.444 1.791 20 30 EDEDLO N#CCC[N@H+](CC(=O)NCCN1CCc2ccccc21)CC1CC1 ZINC000081514783 441280293 /nfs/dbraw/zinc/28/02/93/441280293.db2.gz GHRHBIINCVJASW-UHFFFAOYSA-N 1 2 326.444 1.791 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 ZINC000106331187 441331556 /nfs/dbraw/zinc/33/15/56/441331556.db2.gz UDLLGDOMSUNJAU-UHFFFAOYSA-N 1 2 338.415 1.319 20 30 EDEDLO N#CCCN(CCC#N)C(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000053147397 441501261 /nfs/dbraw/zinc/50/12/61/441501261.db2.gz PIDHONUWCFKUHS-UHFFFAOYSA-N 1 2 345.472 1.522 20 30 EDEDLO C=CCNC(=S)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000066008070 441499241 /nfs/dbraw/zinc/49/92/41/441499241.db2.gz SFBUMKGASVQCQT-UHFFFAOYSA-N 1 2 328.482 1.189 20 30 EDEDLO N#Cc1ccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000029218064 441451959 /nfs/dbraw/zinc/45/19/59/441451959.db2.gz PZZJYLJSARELNR-UHFFFAOYSA-N 1 2 333.351 1.834 20 30 EDEDLO CO/N=C/c1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000110955625 441525951 /nfs/dbraw/zinc/52/59/51/441525951.db2.gz KPBQFVFTVCXVBE-OFBHVFLISA-N 1 2 345.443 1.994 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000075915651 441566736 /nfs/dbraw/zinc/56/67/36/441566736.db2.gz ABHVLCNHRTVCLM-CQSZACIVSA-N 1 2 349.862 1.717 20 30 EDEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000054485806 441581257 /nfs/dbraw/zinc/58/12/57/441581257.db2.gz ZCEINGYNYUCVGF-UHFFFAOYSA-N 1 2 336.395 1.676 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(OC(C)C)cc2)CC1 ZINC000091039768 441652390 /nfs/dbraw/zinc/65/23/90/441652390.db2.gz IZXLGXKKYOSBNZ-UHFFFAOYSA-N 1 2 336.457 1.803 20 30 EDEDLO COC(=O)C1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173496676 441769166 /nfs/dbraw/zinc/76/91/66/441769166.db2.gz GGSGMJZXNIQYND-UHFFFAOYSA-N 1 2 326.356 1.993 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(Cc2cscn2)CC1 ZINC000068333991 441776226 /nfs/dbraw/zinc/77/62/26/441776226.db2.gz PNKRQXOMCCIXDD-YOEHRIQHSA-N 1 2 349.504 1.704 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2cccc(F)c2)CC1 ZINC000173550675 441789168 /nfs/dbraw/zinc/78/91/68/441789168.db2.gz XKWQVHREKOVDRF-OAHLLOKOSA-N 1 2 345.418 1.213 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2cccc(F)c2)CC1 ZINC000173550675 441789173 /nfs/dbraw/zinc/78/91/73/441789173.db2.gz XKWQVHREKOVDRF-OAHLLOKOSA-N 1 2 345.418 1.213 20 30 EDEDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000142075421 441859133 /nfs/dbraw/zinc/85/91/33/441859133.db2.gz ZCBZRWUHWWSPSE-OAHLLOKOSA-N 1 2 342.443 1.982 20 30 EDEDLO N#Cc1ccccc1CSCCNC(=O)NCCn1cc[nH+]c1 ZINC000043312061 441832822 /nfs/dbraw/zinc/83/28/22/441832822.db2.gz LJIUKBUJJQFHJR-UHFFFAOYSA-N 1 2 329.429 1.987 20 30 EDEDLO CCNC(=O)C[N@H+](CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000122431642 441850117 /nfs/dbraw/zinc/85/01/17/441850117.db2.gz VSJLQIJIEHGVJD-OAHLLOKOSA-N 1 2 330.432 1.780 20 30 EDEDLO CCNC(=O)C[N@@H+](CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000122431642 441850123 /nfs/dbraw/zinc/85/01/23/441850123.db2.gz VSJLQIJIEHGVJD-OAHLLOKOSA-N 1 2 330.432 1.780 20 30 EDEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H](C(N)=O)O1 ZINC000123234265 441880587 /nfs/dbraw/zinc/88/05/87/441880587.db2.gz PFLGVXSOOAFVPY-BXUZGUMPSA-N 1 2 326.318 1.632 20 30 EDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H](C(N)=O)O1 ZINC000123234265 441880593 /nfs/dbraw/zinc/88/05/93/441880593.db2.gz PFLGVXSOOAFVPY-BXUZGUMPSA-N 1 2 326.318 1.632 20 30 EDEDLO C[C@H](CS(C)(=O)=O)N(Cc1c[nH+]c2ccc(C#N)cn12)C1CC1 ZINC000093392203 441884566 /nfs/dbraw/zinc/88/45/66/441884566.db2.gz YGSLAQBTNQRWQO-GFCCVEGCSA-N 1 2 332.429 1.603 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1C#N ZINC000124522508 441934119 /nfs/dbraw/zinc/93/41/19/441934119.db2.gz MZIIAXRFHZACIM-AWEZNQCLSA-N 1 2 349.394 1.595 20 30 EDEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078691716 441963200 /nfs/dbraw/zinc/96/32/00/441963200.db2.gz DKUNQATWNCJRNA-AEFFLSMTSA-N 1 2 344.459 1.410 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)N(C)CCC#N)c1C ZINC000069649518 441999535 /nfs/dbraw/zinc/99/95/35/441999535.db2.gz IAIWFRJAQVBLQJ-UHFFFAOYSA-N 1 2 326.422 1.229 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000120557924 442093607 /nfs/dbraw/zinc/09/36/07/442093607.db2.gz SMXFSFKGUIIWDD-DLBZAZTESA-N 1 2 343.475 1.768 20 30 EDEDLO C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000151469145 442066717 /nfs/dbraw/zinc/06/67/17/442066717.db2.gz XEZUTQCBDICHLA-XJKSGUPXSA-N 1 2 337.383 1.803 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)COc2ccccc2C#N)no1 ZINC000121225019 442194423 /nfs/dbraw/zinc/19/44/23/442194423.db2.gz CIPMHCZATAGZDN-UHFFFAOYSA-N 1 2 343.387 1.433 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170650382 442241941 /nfs/dbraw/zinc/24/19/41/442241941.db2.gz GMLSJBZBPLXEDC-HNNXBMFYSA-N 1 2 342.447 1.330 20 30 EDEDLO N#CCSc1cccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000177288864 442325047 /nfs/dbraw/zinc/32/50/47/442325047.db2.gz WWGHMIVKQYWPAS-HNNXBMFYSA-N 1 2 331.441 1.895 20 30 EDEDLO N#CCSc1cccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000177288864 442325050 /nfs/dbraw/zinc/32/50/50/442325050.db2.gz WWGHMIVKQYWPAS-HNNXBMFYSA-N 1 2 331.441 1.895 20 30 EDEDLO CN(C)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1F ZINC000154751501 442354811 /nfs/dbraw/zinc/35/48/11/442354811.db2.gz YHLXBXYAMULFAI-UHFFFAOYSA-N 1 2 334.439 1.940 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(OC)c(Cl)c2)CC1 ZINC000131693977 442377920 /nfs/dbraw/zinc/37/79/20/442377920.db2.gz QPSHWCIDMYWAKH-UHFFFAOYSA-N 1 2 337.851 1.768 20 30 EDEDLO Cc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000154790939 442357034 /nfs/dbraw/zinc/35/70/34/442357034.db2.gz NPKDUJHJUZYUBW-UHFFFAOYSA-N 1 2 332.404 1.951 20 30 EDEDLO C=CCOCCCC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000154794929 442357156 /nfs/dbraw/zinc/35/71/56/442357156.db2.gz HYMHRDWUKCJCRK-INIZCTEOSA-N 1 2 337.464 1.124 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000178491123 442438585 /nfs/dbraw/zinc/43/85/85/442438585.db2.gz REBFHQKBHYOFOD-UHFFFAOYSA-N 1 2 339.399 1.974 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178527302 442441243 /nfs/dbraw/zinc/44/12/43/442441243.db2.gz BRUIOUXTFDMJQQ-UHFFFAOYSA-N 1 2 333.351 1.769 20 30 EDEDLO Cc1cc(C#N)ccc1CN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000186255667 442498064 /nfs/dbraw/zinc/49/80/64/442498064.db2.gz RNVYEDILTRBHRD-KRWDZBQOSA-N 1 2 340.471 1.995 20 30 EDEDLO Cn1cc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])cn1 ZINC000179230486 442601311 /nfs/dbraw/zinc/60/13/11/442601311.db2.gz GVRJFYXUHHFTPE-UHFFFAOYSA-N 1 2 336.399 1.580 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1c[nH]c2ncccc12 ZINC000158148156 442650276 /nfs/dbraw/zinc/65/02/76/442650276.db2.gz XYCQJNSWPVYGLW-UHFFFAOYSA-N 1 2 341.415 1.180 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccnc(Cl)c1 ZINC000181931238 442722128 /nfs/dbraw/zinc/72/21/28/442722128.db2.gz VJUGNMIXIRWNTA-UHFFFAOYSA-N 1 2 337.811 1.815 20 30 EDEDLO COC(=O)CCN1CC[N@H+](CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000182123410 442737975 /nfs/dbraw/zinc/73/79/75/442737975.db2.gz QSYLHVTUZXCIGR-HNNXBMFYSA-N 1 2 331.416 1.506 20 30 EDEDLO COC(=O)CCN1CC[N@@H+](CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000182123410 442737977 /nfs/dbraw/zinc/73/79/77/442737977.db2.gz QSYLHVTUZXCIGR-HNNXBMFYSA-N 1 2 331.416 1.506 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182209430 442745772 /nfs/dbraw/zinc/74/57/72/442745772.db2.gz YTGIKFGHPMYCBC-GOSISDBHSA-N 1 2 343.427 1.963 20 30 EDEDLO C=C(Cl)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000267935489 442792225 /nfs/dbraw/zinc/79/22/25/442792225.db2.gz GXCCGHKWABONNA-ZDUSSCGKSA-N 1 2 328.844 1.077 20 30 EDEDLO COCCN(C)c1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c[nH+]1 ZINC000193609832 442759473 /nfs/dbraw/zinc/75/94/73/442759473.db2.gz OMKDGUPEDFRDFU-FMIVXFBMSA-N 1 2 339.399 1.988 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000246367171 442776423 /nfs/dbraw/zinc/77/64/23/442776423.db2.gz HCLFHDREYOUQIG-DOTOQJQBSA-N 1 2 329.400 1.620 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000246367171 442776429 /nfs/dbraw/zinc/77/64/29/442776429.db2.gz HCLFHDREYOUQIG-DOTOQJQBSA-N 1 2 329.400 1.620 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c(Cl)c1 ZINC000189099051 442877517 /nfs/dbraw/zinc/87/75/17/442877517.db2.gz PXCUCISSWZBGHD-UHFFFAOYSA-N 1 2 343.836 1.212 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)c(Cl)c1 ZINC000189099051 442877521 /nfs/dbraw/zinc/87/75/21/442877521.db2.gz PXCUCISSWZBGHD-UHFFFAOYSA-N 1 2 343.836 1.212 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000248703217 442919389 /nfs/dbraw/zinc/91/93/89/442919389.db2.gz GFNZSDNUCAKARO-HIFRSBDPSA-N 1 2 335.477 1.518 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000248703217 442919391 /nfs/dbraw/zinc/91/93/91/442919391.db2.gz GFNZSDNUCAKARO-HIFRSBDPSA-N 1 2 335.477 1.518 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000189543430 442975556 /nfs/dbraw/zinc/97/55/56/442975556.db2.gz NZCFJDPXTYTTAT-WDEREUQCSA-N 1 2 329.326 1.172 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000189543430 442975562 /nfs/dbraw/zinc/97/55/62/442975562.db2.gz NZCFJDPXTYTTAT-WDEREUQCSA-N 1 2 329.326 1.172 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000266368665 443108301 /nfs/dbraw/zinc/10/83/01/443108301.db2.gz RAXIOHNHMYJTLV-NVXWUHKLSA-N 1 2 343.427 1.649 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](C)c2ccco2)CC1 ZINC000245555120 443236823 /nfs/dbraw/zinc/23/68/23/443236823.db2.gz IAFMUCVNZWGHND-HZPDHXFCSA-N 1 2 332.448 1.965 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H](C)c2ccco2)CC1 ZINC000245555120 443236827 /nfs/dbraw/zinc/23/68/27/443236827.db2.gz IAFMUCVNZWGHND-HZPDHXFCSA-N 1 2 332.448 1.965 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CCN1c1nccn2cnnc12 ZINC000610989818 450399714 /nfs/dbraw/zinc/39/97/14/450399714.db2.gz MCLKCIZFRWTPTF-CQSZACIVSA-N 1 2 333.399 1.707 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCN1c1nccn2cnnc12 ZINC000610989818 450399715 /nfs/dbraw/zinc/39/97/15/450399715.db2.gz MCLKCIZFRWTPTF-CQSZACIVSA-N 1 2 333.399 1.707 20 30 EDEDLO C#Cc1cccc(N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000264033129 443246462 /nfs/dbraw/zinc/24/64/62/443246462.db2.gz NLMVOYWSJBSHAC-UHFFFAOYSA-N 1 2 329.444 1.331 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264059393 443247427 /nfs/dbraw/zinc/24/74/27/443247427.db2.gz JZVIYCJNEPXSKQ-LBPRGKRZSA-N 1 2 345.369 1.885 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(C#N)n(C)c2)C1 ZINC000191307411 443275616 /nfs/dbraw/zinc/27/56/16/443275616.db2.gz VOMKKSMIBAWUFZ-OAHLLOKOSA-N 1 2 346.431 1.130 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc(C#N)n(C)c2)C1 ZINC000191307411 443275618 /nfs/dbraw/zinc/27/56/18/443275618.db2.gz VOMKKSMIBAWUFZ-OAHLLOKOSA-N 1 2 346.431 1.130 20 30 EDEDLO C=CCn1c(C)nnc1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000282566420 443376646 /nfs/dbraw/zinc/37/66/46/443376646.db2.gz KECPMHBYHUBUDH-MRXNPFEDSA-N 1 2 340.431 1.121 20 30 EDEDLO C[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+]1CCOCC1 ZINC000269607890 443362985 /nfs/dbraw/zinc/36/29/85/443362985.db2.gz AHUBHXKENRNVPJ-CQSZACIVSA-N 1 2 328.416 1.567 20 30 EDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(Cc2ccc(C#N)o2)CCO1 ZINC000278920655 443473708 /nfs/dbraw/zinc/47/37/08/443473708.db2.gz HWTAEVQSQDREDS-MRXNPFEDSA-N 1 2 349.431 1.626 20 30 EDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(Cc2ccc(C#N)o2)CCO1 ZINC000278920655 443473712 /nfs/dbraw/zinc/47/37/12/443473712.db2.gz HWTAEVQSQDREDS-MRXNPFEDSA-N 1 2 349.431 1.626 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000272870656 443474614 /nfs/dbraw/zinc/47/46/14/443474614.db2.gz RXAAXBHIPAHRLE-LBPRGKRZSA-N 1 2 326.422 1.247 20 30 EDEDLO CCC[C@H](O)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000264877588 443464008 /nfs/dbraw/zinc/46/40/08/443464008.db2.gz SYDKLKCTWHJQEV-LBPRGKRZSA-N 1 2 328.416 1.807 20 30 EDEDLO Cc1ccnc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)c1C#N ZINC000273091335 443536225 /nfs/dbraw/zinc/53/62/25/443536225.db2.gz BCQAYKRHAKZRON-QGZVFWFLSA-N 1 2 335.411 1.610 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000283266548 443582686 /nfs/dbraw/zinc/58/26/86/443582686.db2.gz FPOLBNGXGAXDCP-XJKSGUPXSA-N 1 2 342.399 1.048 20 30 EDEDLO CC(C)(CNC(=O)/C=C/c1ccccc1C#N)[NH+]1CCS(=O)CC1 ZINC000265150297 443550843 /nfs/dbraw/zinc/55/08/43/443550843.db2.gz YJRASSHQDMFTRI-BQYQJAHWSA-N 1 2 345.468 1.531 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000279706784 443622390 /nfs/dbraw/zinc/62/23/90/443622390.db2.gz HOCGHZPRZLVJTB-ZRGWGRIASA-N 1 2 343.427 1.443 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000279706784 443622395 /nfs/dbraw/zinc/62/23/95/443622395.db2.gz HOCGHZPRZLVJTB-ZRGWGRIASA-N 1 2 343.427 1.443 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCCN(c3cnn(C)c3)C2=O)n1 ZINC000279775568 443626509 /nfs/dbraw/zinc/62/65/09/443626509.db2.gz TZTKKZBRAQQPGV-KRWDZBQOSA-N 1 2 340.431 1.267 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCCN(c3cnn(C)c3)C2=O)n1 ZINC000279775568 443626513 /nfs/dbraw/zinc/62/65/13/443626513.db2.gz TZTKKZBRAQQPGV-KRWDZBQOSA-N 1 2 340.431 1.267 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000275417963 443627419 /nfs/dbraw/zinc/62/74/19/443627419.db2.gz CDRUCYJGNCWIGR-QGZVFWFLSA-N 1 2 336.436 1.383 20 30 EDEDLO C=CCNc1ncc(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)s1 ZINC000275607295 443633926 /nfs/dbraw/zinc/63/39/26/443633926.db2.gz IPXDNPJTGBTBNO-LBPRGKRZSA-N 1 2 346.460 1.603 20 30 EDEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)C1CC1 ZINC000274043369 443592922 /nfs/dbraw/zinc/59/29/22/443592922.db2.gz FOMASEOQJYKKQS-UHFFFAOYSA-N 1 2 349.456 1.281 20 30 EDEDLO C#CC[N@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)C1CC1 ZINC000274043369 443592924 /nfs/dbraw/zinc/59/29/24/443592924.db2.gz FOMASEOQJYKKQS-UHFFFAOYSA-N 1 2 349.456 1.281 20 30 EDEDLO C#CCN(C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)C1CC1 ZINC000274103597 443595072 /nfs/dbraw/zinc/59/50/72/443595072.db2.gz KKQRVKGFKRQARR-CQSZACIVSA-N 1 2 328.420 1.294 20 30 EDEDLO C#CCN(C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)C1CC1 ZINC000274103597 443595077 /nfs/dbraw/zinc/59/50/77/443595077.db2.gz KKQRVKGFKRQARR-CQSZACIVSA-N 1 2 328.420 1.294 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000279544283 443604362 /nfs/dbraw/zinc/60/43/62/443604362.db2.gz XCHVHBJTJVNHKO-IEBWSBKVSA-N 1 2 332.444 1.373 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)CCN1C ZINC000280403146 443712230 /nfs/dbraw/zinc/71/22/30/443712230.db2.gz IOYFLZBBFDTWRK-HNNXBMFYSA-N 1 2 326.360 1.693 20 30 EDEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCCCCC#N ZINC000286723107 443722261 /nfs/dbraw/zinc/72/22/61/443722261.db2.gz LXLCMFXNLBNIHD-CQSZACIVSA-N 1 2 331.420 1.767 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)CSc3ccc(C#N)cc3)C[C@@H]21 ZINC000283828483 443734544 /nfs/dbraw/zinc/73/45/44/443734544.db2.gz AJOIOEAZAFNUBV-HOTGVXAUSA-N 1 2 331.441 1.582 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)CSc3ccc(C#N)cc3)C[C@@H]21 ZINC000283828483 443734549 /nfs/dbraw/zinc/73/45/49/443734549.db2.gz AJOIOEAZAFNUBV-HOTGVXAUSA-N 1 2 331.441 1.582 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000287525536 443747209 /nfs/dbraw/zinc/74/72/09/443747209.db2.gz RQZSBLKRCSIFML-GOSISDBHSA-N 1 2 342.439 1.816 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000287525536 443747215 /nfs/dbraw/zinc/74/72/15/443747215.db2.gz RQZSBLKRCSIFML-GOSISDBHSA-N 1 2 342.439 1.816 20 30 EDEDLO CC(C)(C)n1ncnc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292282592 443788290 /nfs/dbraw/zinc/78/82/90/443788290.db2.gz SWSOQZVXQOAIHI-CQSZACIVSA-N 1 2 326.404 1.953 20 30 EDEDLO CC(C)(C)n1ncnc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292282592 443788297 /nfs/dbraw/zinc/78/82/97/443788297.db2.gz SWSOQZVXQOAIHI-CQSZACIVSA-N 1 2 326.404 1.953 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000284806456 443789561 /nfs/dbraw/zinc/78/95/61/443789561.db2.gz IMHHGHRWSGTCCK-ZFWWWQNUSA-N 1 2 335.452 1.480 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000284806456 443789563 /nfs/dbraw/zinc/78/95/63/443789563.db2.gz IMHHGHRWSGTCCK-ZFWWWQNUSA-N 1 2 335.452 1.480 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000287572500 443748121 /nfs/dbraw/zinc/74/81/21/443748121.db2.gz DEVPVHAYSSIIJV-QWHCGFSZSA-N 1 2 336.440 1.489 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000287572500 443748126 /nfs/dbraw/zinc/74/81/26/443748126.db2.gz DEVPVHAYSSIIJV-QWHCGFSZSA-N 1 2 336.440 1.489 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000287572500 443748130 /nfs/dbraw/zinc/74/81/30/443748130.db2.gz DEVPVHAYSSIIJV-QWHCGFSZSA-N 1 2 336.440 1.489 20 30 EDEDLO NC(=[NH+]OCC(=O)Nc1ccc(OC(F)F)cc1)[C@@H]1CCCO1 ZINC000283886483 443755752 /nfs/dbraw/zinc/75/57/52/443755752.db2.gz CUNCJNZFBGSFON-NSHDSACASA-N 1 2 329.303 1.694 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000284353175 443772925 /nfs/dbraw/zinc/77/29/25/443772925.db2.gz OCLONLWWOFCVPC-HNNXBMFYSA-N 1 2 344.390 1.799 20 30 EDEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)NCc1ccccc1Cl ZINC000284546895 443778938 /nfs/dbraw/zinc/77/89/38/443778938.db2.gz VSQXHMTZFDXJAM-GWCFXTLKSA-N 1 2 325.796 1.813 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292149317 443778959 /nfs/dbraw/zinc/77/89/59/443778959.db2.gz KBXQFYLQAHXRBJ-MAUKXSAKSA-N 1 2 341.415 1.461 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292149317 443778960 /nfs/dbraw/zinc/77/89/60/443778960.db2.gz KBXQFYLQAHXRBJ-MAUKXSAKSA-N 1 2 341.415 1.461 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(=O)n3cccc(C)c3n2)C1=O ZINC000281206239 443847028 /nfs/dbraw/zinc/84/70/28/443847028.db2.gz CTDGYVHOEVOAQU-HNNXBMFYSA-N 1 2 326.400 1.222 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(=O)n3cccc(C)c3n2)C1=O ZINC000281206239 443847032 /nfs/dbraw/zinc/84/70/32/443847032.db2.gz CTDGYVHOEVOAQU-HNNXBMFYSA-N 1 2 326.400 1.222 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000276861171 443855923 /nfs/dbraw/zinc/85/59/23/443855923.db2.gz BDXHQUWFLMUAIW-MRXNPFEDSA-N 1 2 349.456 1.290 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000276861171 443855928 /nfs/dbraw/zinc/85/59/28/443855928.db2.gz BDXHQUWFLMUAIW-MRXNPFEDSA-N 1 2 349.456 1.290 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)C1=O ZINC000281455671 443916232 /nfs/dbraw/zinc/91/62/32/443916232.db2.gz UXVKTBZGVFYRGX-CABCVRRESA-N 1 2 332.448 1.436 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)C1=O ZINC000281455671 443916235 /nfs/dbraw/zinc/91/62/35/443916235.db2.gz UXVKTBZGVFYRGX-CABCVRRESA-N 1 2 332.448 1.436 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000285382876 443963763 /nfs/dbraw/zinc/96/37/63/443963763.db2.gz RTOZLGMHAYMVRR-IBGZPJMESA-N 1 2 343.427 1.815 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1)c1ccccc1 ZINC000285382876 443963765 /nfs/dbraw/zinc/96/37/65/443963765.db2.gz RTOZLGMHAYMVRR-IBGZPJMESA-N 1 2 343.427 1.815 20 30 EDEDLO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000285459666 443992849 /nfs/dbraw/zinc/99/28/49/443992849.db2.gz TXYKUQGWMWWJHE-SCRDCRAPSA-N 1 2 340.383 1.621 20 30 EDEDLO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000285459666 443992853 /nfs/dbraw/zinc/99/28/53/443992853.db2.gz TXYKUQGWMWWJHE-SCRDCRAPSA-N 1 2 340.383 1.621 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1ncccc1C#N ZINC000281605632 443956837 /nfs/dbraw/zinc/95/68/37/443956837.db2.gz YSCCQZQFKGNMHT-HOTGVXAUSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1ncccc1C#N ZINC000281605632 443956841 /nfs/dbraw/zinc/95/68/41/443956841.db2.gz YSCCQZQFKGNMHT-HOTGVXAUSA-N 1 2 328.395 1.736 20 30 EDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000299410350 444039260 /nfs/dbraw/zinc/03/92/60/444039260.db2.gz VXXBZQHVMFVIGT-HNNXBMFYSA-N 1 2 328.412 1.619 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000281807364 444010801 /nfs/dbraw/zinc/01/08/01/444010801.db2.gz RALKNJGPIQAWNG-KBPBESRZSA-N 1 2 347.444 1.859 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000556028854 320974423 /nfs/dbraw/zinc/97/44/23/320974423.db2.gz VHVFWPIGBYBRQN-INIZCTEOSA-N 1 2 328.416 1.589 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)C[C@@H]21 ZINC000560445829 321028138 /nfs/dbraw/zinc/02/81/38/321028138.db2.gz JLBHEYKQYVLVNH-UONOGXRCSA-N 1 2 335.795 1.543 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)C[C@@H]21 ZINC000560445829 321028140 /nfs/dbraw/zinc/02/81/40/321028140.db2.gz JLBHEYKQYVLVNH-UONOGXRCSA-N 1 2 335.795 1.543 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000561845745 321043570 /nfs/dbraw/zinc/04/35/70/321043570.db2.gz FUNOHTBHRHYIGP-HNNXBMFYSA-N 1 2 344.415 1.895 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c(C#N)c1C ZINC000563022842 321088983 /nfs/dbraw/zinc/08/89/83/321088983.db2.gz LKEBVAYXIQYIAE-LLVKDONJSA-N 1 2 330.417 1.783 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c(C#N)c1C ZINC000563022842 321088985 /nfs/dbraw/zinc/08/89/85/321088985.db2.gz LKEBVAYXIQYIAE-LLVKDONJSA-N 1 2 330.417 1.783 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000294663613 444134376 /nfs/dbraw/zinc/13/43/76/444134376.db2.gz QOGYDVMSDNYBBS-FUHWJXTLSA-N 1 2 330.428 1.084 20 30 EDEDLO COC(=O)Cn1ncc2c1nc[nH+]c2N(C)Cc1ccc(C#N)cc1 ZINC000301207617 444155194 /nfs/dbraw/zinc/15/51/94/444155194.db2.gz RHEVEUPMZDQZLL-UHFFFAOYSA-N 1 2 336.355 1.507 20 30 EDEDLO Cc1oc(NC(=O)CN2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(C#N)c1C ZINC000285977452 444167396 /nfs/dbraw/zinc/16/73/96/444167396.db2.gz NWRPDSUNZVFUMP-SWLSCSKDSA-N 1 2 346.431 1.502 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c(C#N)c1C ZINC000285977452 444167399 /nfs/dbraw/zinc/16/73/99/444167399.db2.gz NWRPDSUNZVFUMP-SWLSCSKDSA-N 1 2 346.431 1.502 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c(C#N)c1C ZINC000285977452 444167403 /nfs/dbraw/zinc/16/74/03/444167403.db2.gz NWRPDSUNZVFUMP-SWLSCSKDSA-N 1 2 346.431 1.502 20 30 EDEDLO C=CCN(CC=C)[C@@H](C[NH2+]Cc1cn(CC(=O)OC)nn1)C(C)C ZINC000296284487 444217280 /nfs/dbraw/zinc/21/72/80/444217280.db2.gz FJCGJWOZFOGTOG-INIZCTEOSA-N 1 2 335.452 1.239 20 30 EDEDLO Cc1ccc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nc1C#N ZINC000302608056 444217580 /nfs/dbraw/zinc/21/75/80/444217580.db2.gz BCOSMIYGPWDYBH-UHFFFAOYSA-N 1 2 334.387 1.265 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000296602293 444242647 /nfs/dbraw/zinc/24/26/47/444242647.db2.gz SXBIDBQICCFLDY-UHFFFAOYSA-N 1 2 342.359 1.789 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2nccs2)CC1 ZINC000324851619 444358473 /nfs/dbraw/zinc/35/84/73/444358473.db2.gz HENZRGOOEZSAED-HNNXBMFYSA-N 1 2 344.440 1.577 20 30 EDEDLO CC(C)C[C@@]1(CO)CCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000331024294 444363249 /nfs/dbraw/zinc/36/32/49/444363249.db2.gz SJGYWTUGWSWVHS-GOSISDBHSA-N 1 2 341.496 1.884 20 30 EDEDLO CC(C)C[C@@]1(CO)CCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000331024294 444363251 /nfs/dbraw/zinc/36/32/51/444363251.db2.gz SJGYWTUGWSWVHS-GOSISDBHSA-N 1 2 341.496 1.884 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328824328 444365505 /nfs/dbraw/zinc/36/55/05/444365505.db2.gz ISAVKNZNRFWOQQ-BPLDGKMQSA-N 1 2 344.477 1.267 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328824328 444365510 /nfs/dbraw/zinc/36/55/10/444365510.db2.gz ISAVKNZNRFWOQQ-BPLDGKMQSA-N 1 2 344.477 1.267 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000340221885 444372050 /nfs/dbraw/zinc/37/20/50/444372050.db2.gz KCOKTXBUZWQUTF-DOTOQJQBSA-N 1 2 342.443 1.759 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000340221885 444372053 /nfs/dbraw/zinc/37/20/53/444372053.db2.gz KCOKTXBUZWQUTF-DOTOQJQBSA-N 1 2 342.443 1.759 20 30 EDEDLO CC(C)=CCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000331069033 444382068 /nfs/dbraw/zinc/38/20/68/444382068.db2.gz BFOZYVYKYNWQHB-INIZCTEOSA-N 1 2 336.480 1.885 20 30 EDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000331112424 444399130 /nfs/dbraw/zinc/39/91/30/444399130.db2.gz CDOXJIDJNGIUOD-ZDUSSCGKSA-N 1 2 348.447 1.008 20 30 EDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000331112424 444399133 /nfs/dbraw/zinc/39/91/33/444399133.db2.gz CDOXJIDJNGIUOD-ZDUSSCGKSA-N 1 2 348.447 1.008 20 30 EDEDLO C[C@H](C(=O)NC(C)(C)c1noc(CN(C)C)n1)[NH+]1CCSCC1 ZINC000328915330 444400369 /nfs/dbraw/zinc/40/03/69/444400369.db2.gz JNVAZYQFZHFFQG-LLVKDONJSA-N 1 2 341.481 1.760 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N2CCSCC2)CC1 ZINC000329023634 444448718 /nfs/dbraw/zinc/44/87/18/444448718.db2.gz UMKRUGLZGFLNGB-LBPRGKRZSA-N 1 2 326.466 1.280 20 30 EDEDLO Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC(=O)N1C ZINC000329044003 444456296 /nfs/dbraw/zinc/45/62/96/444456296.db2.gz JAVJWEXRERQTNK-XHBSWPGZSA-N 1 2 342.403 1.108 20 30 EDEDLO COc1cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc(Cl)c1O ZINC000331259930 444459531 /nfs/dbraw/zinc/45/95/31/444459531.db2.gz ABVGRRFRBPIMIB-NSHDSACASA-N 1 2 327.812 1.605 20 30 EDEDLO COc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc(Cl)c1O ZINC000331259930 444459534 /nfs/dbraw/zinc/45/95/34/444459534.db2.gz ABVGRRFRBPIMIB-NSHDSACASA-N 1 2 327.812 1.605 20 30 EDEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1C#N ZINC000331402594 444470857 /nfs/dbraw/zinc/47/08/57/444470857.db2.gz BAANETWGZRQJSE-IYBDPMFKSA-N 1 2 346.431 1.068 20 30 EDEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1C#N ZINC000331402594 444470860 /nfs/dbraw/zinc/47/08/60/444470860.db2.gz BAANETWGZRQJSE-IYBDPMFKSA-N 1 2 346.431 1.068 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc4c3OCCC4=O)C[C@@H]21 ZINC000328978931 444432629 /nfs/dbraw/zinc/43/26/29/444432629.db2.gz QWKMEDJXJTVMDO-GOEBONIOSA-N 1 2 345.399 1.602 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cccc4c3OCCC4=O)C[C@@H]21 ZINC000328978931 444432632 /nfs/dbraw/zinc/43/26/32/444432632.db2.gz QWKMEDJXJTVMDO-GOEBONIOSA-N 1 2 345.399 1.602 20 30 EDEDLO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1=O ZINC000331589685 444478921 /nfs/dbraw/zinc/47/89/21/444478921.db2.gz NSKWGOWEYBGOOV-UHTWSYAYSA-N 1 2 333.413 1.922 20 30 EDEDLO C[C@@H]1C[C@H](CNC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CCO1 ZINC000329131064 444479162 /nfs/dbraw/zinc/47/91/62/444479162.db2.gz XPIFWNMNQHRSSA-HUUCEWRRSA-N 1 2 335.452 1.267 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)C1 ZINC000329138473 444481576 /nfs/dbraw/zinc/48/15/76/444481576.db2.gz DVXAMRVTLVIOAG-NEPJUHHUSA-N 1 2 329.466 1.221 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)C1 ZINC000329138473 444481578 /nfs/dbraw/zinc/48/15/78/444481578.db2.gz DVXAMRVTLVIOAG-NEPJUHHUSA-N 1 2 329.466 1.221 20 30 EDEDLO COc1cnc(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)s1 ZINC000329226144 444506105 /nfs/dbraw/zinc/50/61/05/444506105.db2.gz ACZUTCNKYMRYLX-QWRGUYRKSA-N 1 2 326.422 1.350 20 30 EDEDLO O=C(C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1)NC[C@H]1CCCO1 ZINC000329241529 444510578 /nfs/dbraw/zinc/51/05/78/444510578.db2.gz RSNIIJGZTIGUCT-KGLIPLIRSA-N 1 2 341.477 1.162 20 30 EDEDLO O=C(C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1)NC[C@H]1CCCO1 ZINC000329241529 444510580 /nfs/dbraw/zinc/51/05/80/444510580.db2.gz RSNIIJGZTIGUCT-KGLIPLIRSA-N 1 2 341.477 1.162 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)CCS1(=O)=O ZINC000329254387 444513882 /nfs/dbraw/zinc/51/38/82/444513882.db2.gz WVIXKZCFVKVNAW-KBPBESRZSA-N 1 2 344.477 1.554 20 30 EDEDLO C=CCC(C)(C)c1noc([C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000340803060 444516760 /nfs/dbraw/zinc/51/67/60/444516760.db2.gz RVLMWHRADVJQBD-AWEZNQCLSA-N 1 2 348.447 1.571 20 30 EDEDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000329300943 444526371 /nfs/dbraw/zinc/52/63/71/444526371.db2.gz MSFDDTWRILDSMH-XAJHFOFHSA-N 1 2 339.480 1.493 20 30 EDEDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000329300943 444526379 /nfs/dbraw/zinc/52/63/79/444526379.db2.gz MSFDDTWRILDSMH-XAJHFOFHSA-N 1 2 339.480 1.493 20 30 EDEDLO CC(C)COC[C@H](O)C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000338184319 444553767 /nfs/dbraw/zinc/55/37/67/444553767.db2.gz CTFZUHILODOENZ-QMTMVMCOSA-N 1 2 343.427 1.365 20 30 EDEDLO CC(C)COC[C@H](O)C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000338184319 444553769 /nfs/dbraw/zinc/55/37/69/444553769.db2.gz CTFZUHILODOENZ-QMTMVMCOSA-N 1 2 343.427 1.365 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C([O-])=[NH+][C@H](C)Cn2cccn2)CC1 ZINC000329395077 444561469 /nfs/dbraw/zinc/56/14/69/444561469.db2.gz WWMXMXKDAGJTRS-OAHLLOKOSA-N 1 2 328.420 1.711 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)Cn2cccn2)CC1 ZINC000329395077 444561474 /nfs/dbraw/zinc/56/14/74/444561474.db2.gz WWMXMXKDAGJTRS-OAHLLOKOSA-N 1 2 328.420 1.711 20 30 EDEDLO CCn1cc(Br)c(=O)c(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000329351461 444545025 /nfs/dbraw/zinc/54/50/25/444545025.db2.gz FJKHSZVOPSEUGJ-NSHDSACASA-N 1 2 344.209 1.549 20 30 EDEDLO CCn1cc(Br)c(=O)c(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000329351461 444545028 /nfs/dbraw/zinc/54/50/28/444545028.db2.gz FJKHSZVOPSEUGJ-NSHDSACASA-N 1 2 344.209 1.549 20 30 EDEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NCc1ccc(Cl)s1 ZINC000329450141 444585026 /nfs/dbraw/zinc/58/50/26/444585026.db2.gz OSSMDNATCKUESY-SECBINFHSA-N 1 2 342.808 1.934 20 30 EDEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)NCc1ccc(Cl)s1 ZINC000329450141 444585029 /nfs/dbraw/zinc/58/50/29/444585029.db2.gz OSSMDNATCKUESY-SECBINFHSA-N 1 2 342.808 1.934 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340984643 444614976 /nfs/dbraw/zinc/61/49/76/444614976.db2.gz LYYXHHUOXQKWOX-UHFFFAOYSA-N 1 2 333.388 1.074 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340984643 444614983 /nfs/dbraw/zinc/61/49/83/444614983.db2.gz LYYXHHUOXQKWOX-UHFFFAOYSA-N 1 2 333.388 1.074 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000343833764 444617388 /nfs/dbraw/zinc/61/73/88/444617388.db2.gz RBFVQWNMJBULFM-HACGYAERSA-N 1 2 343.431 1.480 20 30 EDEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCCS1 ZINC000329662772 444671179 /nfs/dbraw/zinc/67/11/79/444671179.db2.gz PNYAYLCXXJNBKW-UONOGXRCSA-N 1 2 341.477 1.162 20 30 EDEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329671547 444674497 /nfs/dbraw/zinc/67/44/97/444674497.db2.gz SDGHKTSNLJOUQF-CVEARBPZSA-N 1 2 337.464 1.799 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2ccc(F)cn2)CC1 ZINC000329603779 444644409 /nfs/dbraw/zinc/64/44/09/444644409.db2.gz LMEFSEYCLAOYFV-ZDUSSCGKSA-N 1 2 344.394 1.537 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2ccc(F)cn2)CC1 ZINC000329603779 444644411 /nfs/dbraw/zinc/64/44/11/444644411.db2.gz LMEFSEYCLAOYFV-ZDUSSCGKSA-N 1 2 344.394 1.537 20 30 EDEDLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@@H]1CCCCO1 ZINC000329608391 444646308 /nfs/dbraw/zinc/64/63/08/444646308.db2.gz NDBISWJMWKTTEI-JYJNAYRXSA-N 1 2 325.453 1.655 20 30 EDEDLO CCC1(CC)[C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C[C@@H]1OC ZINC000329607858 444646543 /nfs/dbraw/zinc/64/65/43/444646543.db2.gz MWBWYKUIEXTOCC-YJNKXOJESA-N 1 2 325.453 1.509 20 30 EDEDLO CCC1(CC)[C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C[C@@H]1OC ZINC000329607858 444646548 /nfs/dbraw/zinc/64/65/48/444646548.db2.gz MWBWYKUIEXTOCC-YJNKXOJESA-N 1 2 325.453 1.509 20 30 EDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000329758945 444706192 /nfs/dbraw/zinc/70/61/92/444706192.db2.gz OGPPWSQBRCQAJY-CQSZACIVSA-N 1 2 342.403 1.357 20 30 EDEDLO CC(=O)N(C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000329698497 444683724 /nfs/dbraw/zinc/68/37/24/444683724.db2.gz CRAHQHVZOHYNJG-HIFRSBDPSA-N 1 2 345.447 1.656 20 30 EDEDLO CC(=O)N(C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000329698497 444683726 /nfs/dbraw/zinc/68/37/26/444683726.db2.gz CRAHQHVZOHYNJG-HIFRSBDPSA-N 1 2 345.447 1.656 20 30 EDEDLO C[C@@H]1C[C@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC(=O)N1 ZINC000329697765 444683952 /nfs/dbraw/zinc/68/39/52/444683952.db2.gz YOCBMLVMILSUGK-OLZOCXBDSA-N 1 2 335.408 1.558 20 30 EDEDLO CO[C@H]1C[C@@H](c2nncn2C)N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000344042000 444745830 /nfs/dbraw/zinc/74/58/30/444745830.db2.gz YMMDXSOVJRUMOF-GJZGRUSLSA-N 1 2 337.387 1.296 20 30 EDEDLO C[C@@H]1CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC2(CCOCC2)O1 ZINC000329918598 444768391 /nfs/dbraw/zinc/76/83/91/444768391.db2.gz RGQLWGLXKYLOBF-CABCVRRESA-N 1 2 348.447 1.629 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)N[C@H]1C=CCCC1 ZINC000329926303 444771885 /nfs/dbraw/zinc/77/18/85/444771885.db2.gz WBLOADVOLLYVCN-KKUMJFAQSA-N 1 2 335.427 1.945 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)Nc1ccc3c(c1)OCO3)CCO2 ZINC000329931860 444775256 /nfs/dbraw/zinc/77/52/56/444775256.db2.gz IMVOPDOPVSYTMC-SJCJKPOMSA-N 1 2 334.372 1.883 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)Nc1ccc3c(c1)OCO3)CCO2 ZINC000329931860 444775260 /nfs/dbraw/zinc/77/52/60/444775260.db2.gz IMVOPDOPVSYTMC-SJCJKPOMSA-N 1 2 334.372 1.883 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000329954651 444785233 /nfs/dbraw/zinc/78/52/33/444785233.db2.gz KETXZCMBIOXXQJ-SUYBPPKGSA-N 1 2 347.415 1.449 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000329954651 444785238 /nfs/dbraw/zinc/78/52/38/444785238.db2.gz KETXZCMBIOXXQJ-SUYBPPKGSA-N 1 2 347.415 1.449 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329954651 444785239 /nfs/dbraw/zinc/78/52/39/444785239.db2.gz KETXZCMBIOXXQJ-SUYBPPKGSA-N 1 2 347.415 1.449 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329954651 444785242 /nfs/dbraw/zinc/78/52/42/444785242.db2.gz KETXZCMBIOXXQJ-SUYBPPKGSA-N 1 2 347.415 1.449 20 30 EDEDLO CCN1CCN(C(=O)NCC(=O)N2CCCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329946187 444781099 /nfs/dbraw/zinc/78/10/99/444781099.db2.gz GFHGKODZASXYFU-AWEZNQCLSA-N 1 2 348.451 1.015 20 30 EDEDLO Cc1cncc(CNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)c1 ZINC000329984127 444799041 /nfs/dbraw/zinc/79/90/41/444799041.db2.gz BZCHPKMMOMUACO-HNNXBMFYSA-N 1 2 328.420 1.526 20 30 EDEDLO Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[S@@](=O)C2)CC1 ZINC000329998054 444805196 /nfs/dbraw/zinc/80/51/96/444805196.db2.gz RQPHTOHQWYJJDC-WAIKUNEKSA-N 1 2 335.473 1.548 20 30 EDEDLO Cc1nnc([C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)[nH]1 ZINC000336887113 444833663 /nfs/dbraw/zinc/83/36/63/444833663.db2.gz HPXGOLKIKBQYFE-NVXWUHKLSA-N 1 2 341.415 1.952 20 30 EDEDLO Cc1nnc([C@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)[nH]1 ZINC000336887113 444833664 /nfs/dbraw/zinc/83/36/64/444833664.db2.gz HPXGOLKIKBQYFE-NVXWUHKLSA-N 1 2 341.415 1.952 20 30 EDEDLO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000338805291 444859517 /nfs/dbraw/zinc/85/95/17/444859517.db2.gz MOCLPEYOEVVOAO-OAHLLOKOSA-N 1 2 342.447 1.760 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330143878 444860759 /nfs/dbraw/zinc/86/07/59/444860759.db2.gz ZFHGZSOTSKPRNF-XHBSWPGZSA-N 1 2 325.409 1.678 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330143878 444860762 /nfs/dbraw/zinc/86/07/62/444860762.db2.gz ZFHGZSOTSKPRNF-XHBSWPGZSA-N 1 2 325.409 1.678 20 30 EDEDLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)Nc1nc2c(s1)CCC2 ZINC000330166506 444869724 /nfs/dbraw/zinc/86/97/24/444869724.db2.gz VDQPYCFHXGMREI-UHFFFAOYSA-N 1 2 331.401 1.774 20 30 EDEDLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)Nc1nc2c(s1)CCC2 ZINC000330166506 444869727 /nfs/dbraw/zinc/86/97/27/444869727.db2.gz VDQPYCFHXGMREI-UHFFFAOYSA-N 1 2 331.401 1.774 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC(O[C@H]2CCOC2)CC1 ZINC000330055676 444828013 /nfs/dbraw/zinc/82/80/13/444828013.db2.gz USKWBTJWVYULNV-INIZCTEOSA-N 1 2 348.447 1.903 20 30 EDEDLO O=C(NC[C@H](O)C1CCOCC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330348505 444947177 /nfs/dbraw/zinc/94/71/77/444947177.db2.gz ITVUXLJAQGCFRP-CVEARBPZSA-N 1 2 326.437 1.374 20 30 EDEDLO O=C(NC[C@H](O)C1CCOCC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330348505 444947182 /nfs/dbraw/zinc/94/71/82/444947182.db2.gz ITVUXLJAQGCFRP-CVEARBPZSA-N 1 2 326.437 1.374 20 30 EDEDLO CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000330414224 444971200 /nfs/dbraw/zinc/97/12/00/444971200.db2.gz WDAZHNAJLLYKJV-FPMFFAJLSA-N 1 2 335.452 1.876 20 30 EDEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000330414904 444972269 /nfs/dbraw/zinc/97/22/69/444972269.db2.gz NEYUJOLXTAFOQU-UONOGXRCSA-N 1 2 339.465 1.909 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCC(=O)N2CCCCC2)CCO1 ZINC000330320422 444935407 /nfs/dbraw/zinc/93/54/07/444935407.db2.gz FBPNRIIWLFDIKV-ZFWWWQNUSA-N 1 2 349.435 1.156 20 30 EDEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)ccc1C#N ZINC000344510242 445022770 /nfs/dbraw/zinc/02/27/70/445022770.db2.gz HGYPMTOMRHZHRS-IRXDYDNUSA-N 1 2 331.391 1.638 20 30 EDEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)ccc1C#N ZINC000344510242 445022772 /nfs/dbraw/zinc/02/27/72/445022772.db2.gz HGYPMTOMRHZHRS-IRXDYDNUSA-N 1 2 331.391 1.638 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1OC ZINC000337396805 445061776 /nfs/dbraw/zinc/06/17/76/445061776.db2.gz JQHJTCJFFRELIC-CQSZACIVSA-N 1 2 325.430 1.879 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1OC ZINC000337396805 445061778 /nfs/dbraw/zinc/06/17/78/445061778.db2.gz JQHJTCJFFRELIC-CQSZACIVSA-N 1 2 325.430 1.879 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nncn2C)[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000344530982 445038328 /nfs/dbraw/zinc/03/83/28/445038328.db2.gz YOMGPDJLLDXHCY-SJORKVTESA-N 1 2 341.415 1.918 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nncn2C)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000344530982 445038330 /nfs/dbraw/zinc/03/83/30/445038330.db2.gz YOMGPDJLLDXHCY-SJORKVTESA-N 1 2 341.415 1.918 20 30 EDEDLO CN(C)c1ccc(CNC(=O)N2CCC(O)(C(F)(F)F)CC2)c[nH+]1 ZINC000330695171 445100043 /nfs/dbraw/zinc/10/00/43/445100043.db2.gz CQVSGVNQKBRXRQ-UHFFFAOYSA-N 1 2 346.353 1.951 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330732720 445116933 /nfs/dbraw/zinc/11/69/33/445116933.db2.gz JSEPRRJISVLPLF-CQSZACIVSA-N 1 2 331.420 1.529 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330732720 445116936 /nfs/dbraw/zinc/11/69/36/445116936.db2.gz JSEPRRJISVLPLF-CQSZACIVSA-N 1 2 331.420 1.529 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000339859946 445175475 /nfs/dbraw/zinc/17/54/75/445175475.db2.gz TYOKSEWBDZGSNO-HNNXBMFYSA-N 1 2 344.390 1.799 20 30 EDEDLO C=C(C)CN(C)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000346172304 445207305 /nfs/dbraw/zinc/20/73/05/445207305.db2.gz SKNKYIXBEXPOFO-PBHICJAKSA-N 1 2 330.432 1.897 20 30 EDEDLO COCCN1C(=O)N[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)CC[C@@H]21 ZINC000345679442 445196353 /nfs/dbraw/zinc/19/63/53/445196353.db2.gz DDEKZDINRJCYSG-IRXDYDNUSA-N 1 2 347.846 1.806 20 30 EDEDLO COCCN1C(=O)N[C@H]2C[N@H+](CC#Cc3ccccc3Cl)CC[C@@H]21 ZINC000345679442 445196355 /nfs/dbraw/zinc/19/63/55/445196355.db2.gz DDEKZDINRJCYSG-IRXDYDNUSA-N 1 2 347.846 1.806 20 30 EDEDLO N#Cc1ccnc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)c1 ZINC000351675816 445267729 /nfs/dbraw/zinc/26/77/29/445267729.db2.gz RHYIDMPTHBKGKQ-UHFFFAOYSA-N 1 2 348.366 1.918 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](CC)CN1C(C)=O ZINC000347543104 445241971 /nfs/dbraw/zinc/24/19/71/445241971.db2.gz YCVVJVUUAPVQRD-IRXDYDNUSA-N 1 2 347.463 1.364 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](CC)CN1C(C)=O ZINC000347543104 445241972 /nfs/dbraw/zinc/24/19/72/445241972.db2.gz YCVVJVUUAPVQRD-IRXDYDNUSA-N 1 2 347.463 1.364 20 30 EDEDLO COC(=O)c1sc2[nH]c(C[NH2+][C@H]3CCC[C@H]3C#N)nc(=O)c2c1C ZINC000347711228 445245554 /nfs/dbraw/zinc/24/55/54/445245554.db2.gz YZVADDLAZWOZIW-UWVGGRQHSA-N 1 2 346.412 1.862 20 30 EDEDLO N#CC1(F)CC[NH+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC1 ZINC000352447892 445529893 /nfs/dbraw/zinc/52/98/93/445529893.db2.gz CTTJWSKVAIWTPX-UHFFFAOYSA-N 1 2 349.362 1.238 20 30 EDEDLO C[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cccnc1 ZINC000359930923 445493761 /nfs/dbraw/zinc/49/37/61/445493761.db2.gz GHUVSZFXIUAQON-MRXNPFEDSA-N 1 2 330.432 1.650 20 30 EDEDLO N#CCCCS(=O)(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000359933783 445494737 /nfs/dbraw/zinc/49/47/37/445494737.db2.gz GWWAAXUJBAYBQM-UHFFFAOYSA-N 1 2 339.436 1.967 20 30 EDEDLO N#CCCCS(=O)(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000359933783 445494739 /nfs/dbraw/zinc/49/47/39/445494739.db2.gz GWWAAXUJBAYBQM-UHFFFAOYSA-N 1 2 339.436 1.967 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+]CC(=O)N2CCCc3ccccc32)C(N)=O)cc1 ZINC000360067510 445552084 /nfs/dbraw/zinc/55/20/84/445552084.db2.gz ATRVBHLKXUQVDA-LJQANCHMSA-N 1 2 348.406 1.654 20 30 EDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000352815157 445556858 /nfs/dbraw/zinc/55/68/58/445556858.db2.gz JYHPSESPLPWKDZ-LSDHHAIUSA-N 1 2 336.432 1.834 20 30 EDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000352815157 445556863 /nfs/dbraw/zinc/55/68/63/445556863.db2.gz JYHPSESPLPWKDZ-LSDHHAIUSA-N 1 2 336.432 1.834 20 30 EDEDLO CC(C)(CNC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+]1CCOCC1 ZINC000349579589 445616862 /nfs/dbraw/zinc/61/68/62/445616862.db2.gz WYQGVZWBPNPZQT-UHFFFAOYSA-N 1 2 342.443 1.957 20 30 EDEDLO N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCc4[nH+]ccn4C3)cc2)c1N ZINC000360202510 445625700 /nfs/dbraw/zinc/62/57/00/445625700.db2.gz IMGMADYVLZHIKD-AWEZNQCLSA-N 1 2 347.382 1.267 20 30 EDEDLO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)no1 ZINC000360284846 445676321 /nfs/dbraw/zinc/67/63/21/445676321.db2.gz HQSOMIYORIQIFP-RHSMWYFYSA-N 1 2 339.399 1.731 20 30 EDEDLO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)no1 ZINC000360284846 445676325 /nfs/dbraw/zinc/67/63/25/445676325.db2.gz HQSOMIYORIQIFP-RHSMWYFYSA-N 1 2 339.399 1.731 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361425847 445765135 /nfs/dbraw/zinc/76/51/35/445765135.db2.gz JLSKKIUPAGWDOO-OLZOCXBDSA-N 1 2 329.391 1.667 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361425847 445765138 /nfs/dbraw/zinc/76/51/38/445765138.db2.gz JLSKKIUPAGWDOO-OLZOCXBDSA-N 1 2 329.391 1.667 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1)C1(C#N)CCCCC1 ZINC000361425644 445765686 /nfs/dbraw/zinc/76/56/86/445765686.db2.gz HZKYLGFXJMOVRM-ZDUSSCGKSA-N 1 2 329.391 1.621 20 30 EDEDLO CN(C(=O)C[N@H+]1CCC(F)(F)[C@H](CO)C1)C1(C#N)CCCCC1 ZINC000361425644 445765689 /nfs/dbraw/zinc/76/56/89/445765689.db2.gz HZKYLGFXJMOVRM-ZDUSSCGKSA-N 1 2 329.391 1.621 20 30 EDEDLO CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000363571606 445859565 /nfs/dbraw/zinc/85/95/65/445859565.db2.gz QFIZNCHEBZNDQV-SFHVURJKSA-N 1 2 334.464 1.375 20 30 EDEDLO CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000363571606 445859568 /nfs/dbraw/zinc/85/95/68/445859568.db2.gz QFIZNCHEBZNDQV-SFHVURJKSA-N 1 2 334.464 1.375 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCN(c3ccc([N+](=O)[O-])cc3C#N)C2)no1 ZINC000361783710 445941554 /nfs/dbraw/zinc/94/15/54/445941554.db2.gz NNLZRKUBBUZMRO-AWEZNQCLSA-N 1 2 342.359 1.869 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@H]2CCN(c3ccc([N+](=O)[O-])cc3C#N)C2)no1 ZINC000361783710 445941558 /nfs/dbraw/zinc/94/15/58/445941558.db2.gz NNLZRKUBBUZMRO-AWEZNQCLSA-N 1 2 342.359 1.869 20 30 EDEDLO N#CCOc1ccc(CNC(=O)NC[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000364670171 445943219 /nfs/dbraw/zinc/94/32/19/445943219.db2.gz CQCLYVQSRXHKRC-HNNXBMFYSA-N 1 2 339.399 1.847 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)N2CCn3cc[nH+]c3C2)ccc1Cl ZINC000351026405 445973669 /nfs/dbraw/zinc/97/36/69/445973669.db2.gz VWINGTLJSYMTOQ-UHFFFAOYSA-N 1 2 329.747 1.389 20 30 EDEDLO Cn1ccnc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1=O ZINC000361840775 445995667 /nfs/dbraw/zinc/99/56/67/445995667.db2.gz XTKPYIKORWZWLK-UHFFFAOYSA-N 1 2 327.363 1.113 20 30 EDEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369226330 446005432 /nfs/dbraw/zinc/00/54/32/446005432.db2.gz ULYAQNLJLFLMSF-CQSZACIVSA-N 1 2 343.431 1.561 20 30 EDEDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000583476747 326078778 /nfs/dbraw/zinc/07/87/78/326078778.db2.gz DRCDPBYQWAXTRD-HNNXBMFYSA-N 1 2 329.448 1.770 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC23CCCCC3)CC1 ZINC000366232114 446096739 /nfs/dbraw/zinc/09/67/39/446096739.db2.gz DDZUEARVRDYJHI-MRXNPFEDSA-N 1 2 331.460 1.241 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC23CCCCC3)CC1 ZINC000366232114 446096743 /nfs/dbraw/zinc/09/67/43/446096743.db2.gz DDZUEARVRDYJHI-MRXNPFEDSA-N 1 2 331.460 1.241 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000361964674 446113094 /nfs/dbraw/zinc/11/30/94/446113094.db2.gz OUTOYQCFZRAVBU-CYBMUJFWSA-N 1 2 346.412 1.858 20 30 EDEDLO Cn1ccnc1[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CCN1C ZINC000366271141 446119163 /nfs/dbraw/zinc/11/91/63/446119163.db2.gz PDGNIUWVZMBKEK-MRXNPFEDSA-N 1 2 335.415 1.428 20 30 EDEDLO Cn1ccnc1[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CCN1C ZINC000366271141 446119167 /nfs/dbraw/zinc/11/91/67/446119167.db2.gz PDGNIUWVZMBKEK-MRXNPFEDSA-N 1 2 335.415 1.428 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000366364656 446175407 /nfs/dbraw/zinc/17/54/07/446175407.db2.gz AJBNDDQASZBLQE-MRXNPFEDSA-N 1 2 325.416 1.789 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000366364656 446175416 /nfs/dbraw/zinc/17/54/16/446175416.db2.gz AJBNDDQASZBLQE-MRXNPFEDSA-N 1 2 325.416 1.789 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)C1(C#N)CCCCC1 ZINC000370049898 446178843 /nfs/dbraw/zinc/17/88/43/446178843.db2.gz LSVBJACSSITUED-IAGOWNOFSA-N 1 2 348.491 1.324 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)C1(C#N)CCCCC1 ZINC000370049898 446178844 /nfs/dbraw/zinc/17/88/44/446178844.db2.gz LSVBJACSSITUED-IAGOWNOFSA-N 1 2 348.491 1.324 20 30 EDEDLO N#Cc1ccc(OC2C[NH+](C[C@H](O)COCC(F)(F)F)C2)cc1 ZINC000366311574 446144782 /nfs/dbraw/zinc/14/47/82/446144782.db2.gz MVKSBFMSIKGYRZ-LBPRGKRZSA-N 1 2 330.306 1.561 20 30 EDEDLO C=CCn1cccc1C(=O)NC[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000351621577 446216510 /nfs/dbraw/zinc/21/65/10/446216510.db2.gz TWECZLYMNMSPNH-LSDHHAIUSA-N 1 2 345.422 1.750 20 30 EDEDLO C=CCNC(=O)C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000362252385 446287284 /nfs/dbraw/zinc/28/72/84/446287284.db2.gz PLPMNQAYWDYYLT-UHFFFAOYSA-N 1 2 333.251 1.607 20 30 EDEDLO C=CCNC(=O)C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000362252385 446287289 /nfs/dbraw/zinc/28/72/89/446287289.db2.gz PLPMNQAYWDYYLT-UHFFFAOYSA-N 1 2 333.251 1.607 20 30 EDEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000411145510 446409559 /nfs/dbraw/zinc/40/95/59/446409559.db2.gz RXPCBAIJJCIIRB-OAHLLOKOSA-N 1 2 328.482 1.417 20 30 EDEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000411188066 446422075 /nfs/dbraw/zinc/42/20/75/446422075.db2.gz CGYOOHAVNCHNDP-GFCCVEGCSA-N 1 2 346.387 1.960 20 30 EDEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000411188066 446422078 /nfs/dbraw/zinc/42/20/78/446422078.db2.gz CGYOOHAVNCHNDP-GFCCVEGCSA-N 1 2 346.387 1.960 20 30 EDEDLO C[C@H]1CCN(c2cc(S(N)(=O)=O)ccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000376397427 446474142 /nfs/dbraw/zinc/47/41/42/446474142.db2.gz RRLIKFMTZXBDPG-LRDDRELGSA-N 1 2 345.428 1.490 20 30 EDEDLO Cc1[nH+]c2n(c1CN1CCN(C(=O)C(C)(C)C#N)CC1)CCCC2 ZINC000367589665 446565697 /nfs/dbraw/zinc/56/56/97/446565697.db2.gz OMKFDFYHRYYUNE-UHFFFAOYSA-N 1 2 329.448 1.722 20 30 EDEDLO COc1ccncc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000367737512 446580789 /nfs/dbraw/zinc/58/07/89/446580789.db2.gz MQJGWYSSMGLOHD-IFXJQAMLSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1ccncc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000367737512 446580796 /nfs/dbraw/zinc/58/07/96/446580796.db2.gz MQJGWYSSMGLOHD-IFXJQAMLSA-N 1 2 334.379 1.936 20 30 EDEDLO Cc1[nH]nc2ncc(CN(CCC#N)CC[NH+]3CCOCC3)cc12 ZINC000434982053 446671905 /nfs/dbraw/zinc/67/19/05/446671905.db2.gz JWGSPVUAVZEYBI-UHFFFAOYSA-N 1 2 328.420 1.314 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389865 446765375 /nfs/dbraw/zinc/76/53/75/446765375.db2.gz HJIWKWIOTLNNTA-KBPBESRZSA-N 1 2 348.407 1.436 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389865 446765380 /nfs/dbraw/zinc/76/53/80/446765380.db2.gz HJIWKWIOTLNNTA-KBPBESRZSA-N 1 2 348.407 1.436 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411982054 446772417 /nfs/dbraw/zinc/77/24/17/446772417.db2.gz KURKMPOXFJRBQH-LJQANCHMSA-N 1 2 341.411 1.858 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411982054 446772425 /nfs/dbraw/zinc/77/24/25/446772425.db2.gz KURKMPOXFJRBQH-LJQANCHMSA-N 1 2 341.411 1.858 20 30 EDEDLO Cc1cc(NC(=O)C2([NH+]3CCOCC3)CCCC2)nn1CCC#N ZINC000371410373 446837906 /nfs/dbraw/zinc/83/79/06/446837906.db2.gz SAXBQAQCJNHGTR-UHFFFAOYSA-N 1 2 331.420 1.689 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000375496382 446848606 /nfs/dbraw/zinc/84/86/06/446848606.db2.gz DGINLOLWGJXYMH-CQSZACIVSA-N 1 2 338.839 1.469 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1 ZINC000375496382 446848615 /nfs/dbraw/zinc/84/86/15/446848615.db2.gz DGINLOLWGJXYMH-CQSZACIVSA-N 1 2 338.839 1.469 20 30 EDEDLO NS(=O)(=O)C[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000440971069 446860065 /nfs/dbraw/zinc/86/00/65/446860065.db2.gz WJXRIIRXCHVHDC-ZDUSSCGKSA-N 1 2 326.849 1.692 20 30 EDEDLO NS(=O)(=O)C[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000440971069 446860074 /nfs/dbraw/zinc/86/00/74/446860074.db2.gz WJXRIIRXCHVHDC-ZDUSSCGKSA-N 1 2 326.849 1.692 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000412133040 446874897 /nfs/dbraw/zinc/87/48/97/446874897.db2.gz QUQMEFDGGSTWSB-IEBWSBKVSA-N 1 2 345.418 1.946 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000375602625 446918162 /nfs/dbraw/zinc/91/81/62/446918162.db2.gz INGNZOCMJSDDJI-RHSMWYFYSA-N 1 2 337.383 1.350 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000420986555 446964122 /nfs/dbraw/zinc/96/41/22/446964122.db2.gz MSLUEDYCMQEGHO-IINYFYTJSA-N 1 2 334.807 1.749 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000420986555 446964127 /nfs/dbraw/zinc/96/41/27/446964127.db2.gz MSLUEDYCMQEGHO-IINYFYTJSA-N 1 2 334.807 1.749 20 30 EDEDLO Cc1cc(N2CCN(Cc3[nH+]ccn3C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413126140 447019166 /nfs/dbraw/zinc/01/91/66/447019166.db2.gz JXJICXMEPKDKNX-UHFFFAOYSA-N 1 2 340.387 1.831 20 30 EDEDLO Cc1cc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)c(C#N)cn1 ZINC000425211470 447065831 /nfs/dbraw/zinc/06/58/31/447065831.db2.gz UIUXGUAJCUOVPY-SFHVURJKSA-N 1 2 335.411 1.610 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)NCCCC#N)CC1 ZINC000444966735 447150864 /nfs/dbraw/zinc/15/08/64/447150864.db2.gz NRIKVTMGDAMPCW-UHFFFAOYSA-N 1 2 343.431 1.776 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)Nc2cnc(C#N)c(Cl)c2)CCO1 ZINC000455791148 447229911 /nfs/dbraw/zinc/22/99/11/447229911.db2.gz QLUYFWDUMKMASW-UHFFFAOYSA-N 1 2 337.811 1.839 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2cnc(C#N)c(Cl)c2)CCO1 ZINC000455791148 447229922 /nfs/dbraw/zinc/22/99/22/447229922.db2.gz QLUYFWDUMKMASW-UHFFFAOYSA-N 1 2 337.811 1.839 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000425569727 447233622 /nfs/dbraw/zinc/23/36/22/447233622.db2.gz ZQCOVCTVYUNRLH-RDJZCZTQSA-N 1 2 340.427 2.537 20 30 EDEDLO C[C@@H]1C(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C(=O)N1c1ccc(F)cc1 ZINC000414113548 447275710 /nfs/dbraw/zinc/27/57/10/447275710.db2.gz RYQNKIXLLSDRNJ-DOMZBBRYSA-N 1 2 348.378 1.189 20 30 EDEDLO C[C@@H]1C(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C(=O)N1c1ccc(F)cc1 ZINC000414113548 447275715 /nfs/dbraw/zinc/27/57/15/447275715.db2.gz RYQNKIXLLSDRNJ-DOMZBBRYSA-N 1 2 348.378 1.189 20 30 EDEDLO CC(C)=CCC[C@]1(C)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414141938 447276182 /nfs/dbraw/zinc/27/61/82/447276182.db2.gz IRYMEKLSGYZRKE-YOEHRIQHSA-N 1 2 336.436 1.250 20 30 EDEDLO CC(C)=CCC[C@]1(C)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414141938 447276185 /nfs/dbraw/zinc/27/61/85/447276185.db2.gz IRYMEKLSGYZRKE-YOEHRIQHSA-N 1 2 336.436 1.250 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000456764395 447456330 /nfs/dbraw/zinc/45/63/30/447456330.db2.gz FQHFWSBMIVTEGD-RDJZCZTQSA-N 1 2 349.450 1.780 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000457737473 447623508 /nfs/dbraw/zinc/62/35/08/447623508.db2.gz LLLBHKSJILZUIH-ZWKOTPCHSA-N 1 2 347.459 1.686 20 30 EDEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000408080438 447627257 /nfs/dbraw/zinc/62/72/57/447627257.db2.gz BSTKMEVUMAGNBV-WDEREUQCSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000408080438 447627260 /nfs/dbraw/zinc/62/72/60/447627260.db2.gz BSTKMEVUMAGNBV-WDEREUQCSA-N 1 2 327.837 1.925 20 30 EDEDLO Cc1cccn2cc(CNS(=O)(=O)c3cccnc3C#N)[nH+]c12 ZINC000428413496 447698258 /nfs/dbraw/zinc/69/82/58/447698258.db2.gz LVJLPFGXHJIBJV-UHFFFAOYSA-N 1 2 327.369 1.388 20 30 EDEDLO CC(C)OCC[NH+]1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000428031569 447673255 /nfs/dbraw/zinc/67/32/55/447673255.db2.gz HJFPLYZAKXEAQL-UHFFFAOYSA-N 1 2 336.823 1.789 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)o3)c[nH+]2)CCO1 ZINC000428180166 447681484 /nfs/dbraw/zinc/68/14/84/447681484.db2.gz CURNGBLYDFYAEE-LBPRGKRZSA-N 1 2 326.356 1.701 20 30 EDEDLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)CC(C)(C)CC#N)C[C@H](C)O1 ZINC000451482491 447733857 /nfs/dbraw/zinc/73/38/57/447733857.db2.gz UMBOESMFLAFEQM-OKILXGFUSA-N 1 2 331.482 1.297 20 30 EDEDLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)CC(C)(C)CC#N)C[C@H](C)O1 ZINC000451482491 447733859 /nfs/dbraw/zinc/73/38/59/447733859.db2.gz UMBOESMFLAFEQM-OKILXGFUSA-N 1 2 331.482 1.297 20 30 EDEDLO CC(C)(C)OC(=O)NC(C)(C)CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000496312264 447755325 /nfs/dbraw/zinc/75/53/25/447755325.db2.gz VLNGYROLSBTFSE-UHFFFAOYSA-N 1 2 345.407 2.363 20 30 EDEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000451879161 447772544 /nfs/dbraw/zinc/77/25/44/447772544.db2.gz PMLJEBAEBBPTPM-IUODEOHRSA-N 1 2 346.397 1.611 20 30 EDEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000451879161 447772546 /nfs/dbraw/zinc/77/25/46/447772546.db2.gz PMLJEBAEBBPTPM-IUODEOHRSA-N 1 2 346.397 1.611 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451915083 447783001 /nfs/dbraw/zinc/78/30/01/447783001.db2.gz VCBOXOBWSBRHJZ-GWCFXTLKSA-N 1 2 345.321 1.952 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451915083 447783004 /nfs/dbraw/zinc/78/30/04/447783004.db2.gz VCBOXOBWSBRHJZ-GWCFXTLKSA-N 1 2 345.321 1.952 20 30 EDEDLO N#CCSc1cccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000430704806 447783261 /nfs/dbraw/zinc/78/32/61/447783261.db2.gz ZBMRKYJFATXSQX-UHFFFAOYSA-N 1 2 341.440 1.983 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1C#N ZINC000489052941 447851530 /nfs/dbraw/zinc/85/15/30/447851530.db2.gz PTLMRZRDPNWYRO-NWDGAFQWSA-N 1 2 334.445 1.983 20 30 EDEDLO C=CCCCS(=O)(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000489572133 447864764 /nfs/dbraw/zinc/86/47/64/447864764.db2.gz YYKJCWDFRCOCOF-HNNXBMFYSA-N 1 2 330.494 1.906 20 30 EDEDLO CC[C@H]1C[N@H+](CCNS(=O)(=O)CC2(C#N)CCCCC2)CCO1 ZINC000487342432 447829920 /nfs/dbraw/zinc/82/99/20/447829920.db2.gz SDLMQOXZOUADOG-HNNXBMFYSA-N 1 2 343.493 1.491 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNS(=O)(=O)CC2(C#N)CCCCC2)CCO1 ZINC000487342432 447829922 /nfs/dbraw/zinc/82/99/22/447829922.db2.gz SDLMQOXZOUADOG-HNNXBMFYSA-N 1 2 343.493 1.491 20 30 EDEDLO C#CCC(CC#C)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497124599 447873708 /nfs/dbraw/zinc/87/37/08/447873708.db2.gz DVLBADKXSDLMDU-MRXNPFEDSA-N 1 2 347.459 1.317 20 30 EDEDLO C#CCC(CC#C)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497124599 447873711 /nfs/dbraw/zinc/87/37/11/447873711.db2.gz DVLBADKXSDLMDU-MRXNPFEDSA-N 1 2 347.459 1.317 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2c(F)ccc(OCC)c2F)CC1 ZINC000490893175 447904261 /nfs/dbraw/zinc/90/42/61/447904261.db2.gz RVSNDSHZUACEES-UHFFFAOYSA-N 1 2 337.370 1.553 20 30 EDEDLO C#CC[N@@H+](CC(=O)N[C@@H](C(=O)NC)c1ccccc1)Cc1ccccc1 ZINC000491126592 447932926 /nfs/dbraw/zinc/93/29/26/447932926.db2.gz QEUNPTKRKGSSKO-HXUWFJFHSA-N 1 2 349.434 1.725 20 30 EDEDLO C#CC[N@H+](CC(=O)N[C@@H](C(=O)NC)c1ccccc1)Cc1ccccc1 ZINC000491126592 447932931 /nfs/dbraw/zinc/93/29/31/447932931.db2.gz QEUNPTKRKGSSKO-HXUWFJFHSA-N 1 2 349.434 1.725 20 30 EDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC000491396188 448013523 /nfs/dbraw/zinc/01/35/23/448013523.db2.gz XBRZQFFVJCMVAL-INIZCTEOSA-N 1 2 333.407 1.910 20 30 EDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC000491396188 448013528 /nfs/dbraw/zinc/01/35/28/448013528.db2.gz XBRZQFFVJCMVAL-INIZCTEOSA-N 1 2 333.407 1.910 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c(c2)CCCC3=O)CC1 ZINC000491393544 448012810 /nfs/dbraw/zinc/01/28/10/448012810.db2.gz IFKSKAIMUYNOQM-UHFFFAOYSA-N 1 2 325.412 1.395 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000491485947 448040506 /nfs/dbraw/zinc/04/05/06/448040506.db2.gz ROWLTTBNUJOJKY-JJRVBVJISA-N 1 2 330.432 1.590 20 30 EDEDLO C#CC[NH+]1CCN(CN2CC[C@H](CCc3ccccc3)C2=O)CC1 ZINC000491497149 448045316 /nfs/dbraw/zinc/04/53/16/448045316.db2.gz VXZKFAWLCBXCOB-IBGZPJMESA-N 1 2 325.456 1.676 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000491717644 448087658 /nfs/dbraw/zinc/08/76/58/448087658.db2.gz XCSIQFWQTWKNIN-ROUUACIJSA-N 1 2 343.427 1.104 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000526057992 448090074 /nfs/dbraw/zinc/09/00/74/448090074.db2.gz TVUDFPYIESNOLI-NVXWUHKLSA-N 1 2 327.428 1.881 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000526057992 448090078 /nfs/dbraw/zinc/09/00/78/448090078.db2.gz TVUDFPYIESNOLI-NVXWUHKLSA-N 1 2 327.428 1.881 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000491748315 448101464 /nfs/dbraw/zinc/10/14/64/448101464.db2.gz DQCAXHPPMHJYHQ-MRXNPFEDSA-N 1 2 348.491 1.374 20 30 EDEDLO Cc1cc(NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)nn1CCC#N ZINC000558399832 448193067 /nfs/dbraw/zinc/19/30/67/448193067.db2.gz RMZIZAKZTUMDHE-AWEZNQCLSA-N 1 2 327.392 2.112 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CCC1 ZINC000560265383 448213825 /nfs/dbraw/zinc/21/38/25/448213825.db2.gz WJPZOOHJAZGJGC-QAPCUYQASA-N 1 2 331.391 1.349 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)CCC1 ZINC000560265383 448213830 /nfs/dbraw/zinc/21/38/30/448213830.db2.gz WJPZOOHJAZGJGC-QAPCUYQASA-N 1 2 331.391 1.349 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc(CC#N)cc1 ZINC000571996086 448257306 /nfs/dbraw/zinc/25/73/06/448257306.db2.gz MQMKRQFZDZZVRE-UHFFFAOYSA-N 1 2 330.432 1.663 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc(CC#N)cc1 ZINC000571996086 448257310 /nfs/dbraw/zinc/25/73/10/448257310.db2.gz MQMKRQFZDZZVRE-UHFFFAOYSA-N 1 2 330.432 1.663 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000577538338 448323643 /nfs/dbraw/zinc/32/36/43/448323643.db2.gz KKMMHTAKENJLNV-SUNKGSAMSA-N 1 2 349.456 1.111 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000577538338 448323646 /nfs/dbraw/zinc/32/36/46/448323646.db2.gz KKMMHTAKENJLNV-SUNKGSAMSA-N 1 2 349.456 1.111 20 30 EDEDLO CCOC(=O)c1cnn(CCC#N)c1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000565048302 448353126 /nfs/dbraw/zinc/35/31/26/448353126.db2.gz RXBVEWWVRDIDEL-GFCCVEGCSA-N 1 2 344.375 1.760 20 30 EDEDLO N#CCc1ccccc1NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000582739186 448326707 /nfs/dbraw/zinc/32/67/07/448326707.db2.gz UIXCRHFQVGJJFB-UHFFFAOYSA-N 1 2 335.411 1.908 20 30 EDEDLO CC(C)OCCN1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528399177 448513380 /nfs/dbraw/zinc/51/33/80/448513380.db2.gz XUKWHFLZZDLSFM-GOSISDBHSA-N 1 2 347.459 1.341 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1 ZINC000573200995 448566593 /nfs/dbraw/zinc/56/65/93/448566593.db2.gz YRZGYMKOTJLWBM-HNNXBMFYSA-N 1 2 345.428 1.261 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](n3ccnn3)C2)cc1 ZINC000573200995 448566599 /nfs/dbraw/zinc/56/65/99/448566599.db2.gz YRZGYMKOTJLWBM-HNNXBMFYSA-N 1 2 345.428 1.261 20 30 EDEDLO Cc1cccc2[nH+]c(CCNS(=O)(=O)N(C)C[C@H](C)C#N)cn21 ZINC000592121171 448695713 /nfs/dbraw/zinc/69/57/13/448695713.db2.gz MXLBXEDUCHGOFP-GFCCVEGCSA-N 1 2 335.433 1.111 20 30 EDEDLO C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000541859060 448697148 /nfs/dbraw/zinc/69/71/48/448697148.db2.gz WUPPDLUUVIKXOY-DZGCQCFKSA-N 1 2 326.400 1.896 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CC(C)(C(N)=O)C1 ZINC000592136137 448701347 /nfs/dbraw/zinc/70/13/47/448701347.db2.gz BODNXPKDGWDFLC-CYBMUJFWSA-N 1 2 344.415 1.138 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c(OC)c1 ZINC000592146258 448705299 /nfs/dbraw/zinc/70/52/99/448705299.db2.gz GPBPADNPZYTSCO-YVEFUNNKSA-N 1 2 333.388 1.381 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c(OC)c1 ZINC000592146258 448705304 /nfs/dbraw/zinc/70/53/04/448705304.db2.gz GPBPADNPZYTSCO-YVEFUNNKSA-N 1 2 333.388 1.381 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000592145449 448706378 /nfs/dbraw/zinc/70/63/78/448706378.db2.gz VWVQBCLAKLPCKS-GOSISDBHSA-N 1 2 342.399 1.102 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000592145449 448706382 /nfs/dbraw/zinc/70/63/82/448706382.db2.gz VWVQBCLAKLPCKS-GOSISDBHSA-N 1 2 342.399 1.102 20 30 EDEDLO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592147096 448706982 /nfs/dbraw/zinc/70/69/82/448706982.db2.gz IISMCBZFRHMHOO-FZKQIMNGSA-N 1 2 347.415 1.231 20 30 EDEDLO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592147096 448706986 /nfs/dbraw/zinc/70/69/86/448706986.db2.gz IISMCBZFRHMHOO-FZKQIMNGSA-N 1 2 347.415 1.231 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000592147322 448707906 /nfs/dbraw/zinc/70/79/06/448707906.db2.gz NYCFIHOUNNLPFU-OAHLLOKOSA-N 1 2 329.316 1.495 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000592147322 448707909 /nfs/dbraw/zinc/70/79/09/448707909.db2.gz NYCFIHOUNNLPFU-OAHLLOKOSA-N 1 2 329.316 1.495 20 30 EDEDLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148861 448709450 /nfs/dbraw/zinc/70/94/50/448709450.db2.gz DDIYGKAIOHEMSR-SFHVURJKSA-N 1 2 342.399 1.101 20 30 EDEDLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148861 448709452 /nfs/dbraw/zinc/70/94/52/448709452.db2.gz DDIYGKAIOHEMSR-SFHVURJKSA-N 1 2 342.399 1.101 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000592151228 448712364 /nfs/dbraw/zinc/71/23/64/448712364.db2.gz KPBACXOPLSXFNY-QGZVFWFLSA-N 1 2 342.424 1.759 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000592151228 448712370 /nfs/dbraw/zinc/71/23/70/448712370.db2.gz KPBACXOPLSXFNY-QGZVFWFLSA-N 1 2 342.424 1.759 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000592151624 448713436 /nfs/dbraw/zinc/71/34/36/448713436.db2.gz OTNQRRZTBKNGLC-GOEBONIOSA-N 1 2 330.344 1.051 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000592151624 448713441 /nfs/dbraw/zinc/71/34/41/448713441.db2.gz OTNQRRZTBKNGLC-GOEBONIOSA-N 1 2 330.344 1.051 20 30 EDEDLO N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000567377900 448680851 /nfs/dbraw/zinc/68/08/51/448680851.db2.gz IDFRIFQBTZDVKQ-QGZVFWFLSA-N 1 2 342.443 1.931 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000568822880 448921639 /nfs/dbraw/zinc/92/16/39/448921639.db2.gz DSUSEOIAHXCLFI-SJCJKPOMSA-N 1 2 332.379 1.139 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC3(CCC3)OC[C@@H]2C)CC1 ZINC000595681336 449117428 /nfs/dbraw/zinc/11/74/28/449117428.db2.gz KSLZMJQFHHZCFZ-DLBZAZTESA-N 1 2 348.491 1.322 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC3(CCC3)OC[C@@H]2C)CC1 ZINC000595681336 449117432 /nfs/dbraw/zinc/11/74/32/449117432.db2.gz KSLZMJQFHHZCFZ-DLBZAZTESA-N 1 2 348.491 1.322 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@]3(CC3(F)F)C2)nc1 ZINC000593115242 449141246 /nfs/dbraw/zinc/14/12/46/449141246.db2.gz BFMFOEQGFJYBJM-CYBMUJFWSA-N 1 2 327.356 1.458 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@]3(CC3(F)F)C2)nc1 ZINC000593115242 449141250 /nfs/dbraw/zinc/14/12/50/449141250.db2.gz BFMFOEQGFJYBJM-CYBMUJFWSA-N 1 2 327.356 1.458 20 30 EDEDLO N#Cc1cccc2c1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2 ZINC000593125941 449146458 /nfs/dbraw/zinc/14/64/58/449146458.db2.gz JRFYVWQSBQCBRE-UHFFFAOYSA-N 1 2 340.305 1.652 20 30 EDEDLO N#Cc1cccc2c1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2 ZINC000593125941 449146464 /nfs/dbraw/zinc/14/64/64/449146464.db2.gz JRFYVWQSBQCBRE-UHFFFAOYSA-N 1 2 340.305 1.652 20 30 EDEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000595837766 449199436 /nfs/dbraw/zinc/19/94/36/449199436.db2.gz LWRDOPYHGFCTAU-SFHVURJKSA-N 1 2 330.407 1.710 20 30 EDEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000595837766 449199442 /nfs/dbraw/zinc/19/94/42/449199442.db2.gz LWRDOPYHGFCTAU-SFHVURJKSA-N 1 2 330.407 1.710 20 30 EDEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1)c1ccc(F)cc1 ZINC000611174740 449201134 /nfs/dbraw/zinc/20/11/34/449201134.db2.gz PQCNODZPTBTMPF-HUUCEWRRSA-N 1 2 332.423 1.923 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)N2CC(CC#N)C2)[C@@H]1c1c[nH+]cn1C ZINC000598024514 449202577 /nfs/dbraw/zinc/20/25/77/449202577.db2.gz KREFYXYPADBQFD-RHSMWYFYSA-N 1 2 343.431 1.482 20 30 EDEDLO COCC#CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OC ZINC000611194618 449210968 /nfs/dbraw/zinc/21/09/68/449210968.db2.gz DHODUKHDQGIAHW-INIZCTEOSA-N 1 2 347.411 1.816 20 30 EDEDLO COCC#CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OC ZINC000611194618 449210972 /nfs/dbraw/zinc/21/09/72/449210972.db2.gz DHODUKHDQGIAHW-INIZCTEOSA-N 1 2 347.411 1.816 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H](C)CO1 ZINC000598000663 449186369 /nfs/dbraw/zinc/18/63/69/449186369.db2.gz YXGFQPLIPQAFHU-IHETXDGRSA-N 1 2 327.428 1.887 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H](C)CO1 ZINC000598000663 449186375 /nfs/dbraw/zinc/18/63/75/449186375.db2.gz YXGFQPLIPQAFHU-IHETXDGRSA-N 1 2 327.428 1.887 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](C(=O)OC)[C@@H](C)C2)c1C#N ZINC000595822679 449187377 /nfs/dbraw/zinc/18/73/77/449187377.db2.gz ADBSYJKLRKKBQE-GXTWGEPZSA-N 1 2 330.384 1.976 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H](C)C2)c1C#N ZINC000595822679 449187379 /nfs/dbraw/zinc/18/73/79/449187379.db2.gz ADBSYJKLRKKBQE-GXTWGEPZSA-N 1 2 330.384 1.976 20 30 EDEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000595828511 449191847 /nfs/dbraw/zinc/19/18/47/449191847.db2.gz SZIACTCYJBDTRV-OAHLLOKOSA-N 1 2 329.404 1.184 20 30 EDEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000595828511 449191853 /nfs/dbraw/zinc/19/18/53/449191853.db2.gz SZIACTCYJBDTRV-OAHLLOKOSA-N 1 2 329.404 1.184 20 30 EDEDLO N#Cc1cccc(-c2cc(C(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)on2)c1 ZINC000593857148 449241802 /nfs/dbraw/zinc/24/18/02/449241802.db2.gz UDNJQNCRJFMKDC-OAHLLOKOSA-N 1 2 338.367 1.104 20 30 EDEDLO N#Cc1cccc(-c2cc(C(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)on2)c1 ZINC000593857148 449241809 /nfs/dbraw/zinc/24/18/09/449241809.db2.gz UDNJQNCRJFMKDC-OAHLLOKOSA-N 1 2 338.367 1.104 20 30 EDEDLO N#Cc1cnnc(NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000596089785 449357360 /nfs/dbraw/zinc/35/73/60/449357360.db2.gz JSXAGGGERBOOTH-UHFFFAOYSA-N 1 2 339.399 1.671 20 30 EDEDLO CC(C)(C#N)CC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000598364448 449363658 /nfs/dbraw/zinc/36/36/58/449363658.db2.gz PJZLLMZTFOFYJR-IBGZPJMESA-N 1 2 345.443 1.306 20 30 EDEDLO CC(C)(C#N)CC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000598364448 449363663 /nfs/dbraw/zinc/36/36/63/449363663.db2.gz PJZLLMZTFOFYJR-IBGZPJMESA-N 1 2 345.443 1.306 20 30 EDEDLO N#CCCCCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000594258032 449415638 /nfs/dbraw/zinc/41/56/38/449415638.db2.gz KCWPEEGKNUNKKN-UHFFFAOYSA-N 1 2 343.431 1.320 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000594283394 449429285 /nfs/dbraw/zinc/42/92/85/449429285.db2.gz HJVIRMSJDUIFTQ-PMPSAXMXSA-N 1 2 329.444 1.962 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1ncc(Br)cc1C#N ZINC000596430198 449499388 /nfs/dbraw/zinc/49/93/88/449499388.db2.gz KMPVQPXGZONPPS-MNOVXSKESA-N 1 2 339.237 2.237 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1ncc(Br)cc1C#N ZINC000596430198 449499389 /nfs/dbraw/zinc/49/93/89/449499389.db2.gz KMPVQPXGZONPPS-MNOVXSKESA-N 1 2 339.237 2.237 20 30 EDEDLO N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000594435246 449514966 /nfs/dbraw/zinc/51/49/66/449514966.db2.gz CRSJEHAQAQMGLM-KBPBESRZSA-N 1 2 330.436 1.799 20 30 EDEDLO N#Cc1cccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)n1 ZINC000602441592 449588671 /nfs/dbraw/zinc/58/86/71/449588671.db2.gz RGJVMYAUNLHXFK-UHFFFAOYSA-N 1 2 327.432 1.083 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)n1 ZINC000602441592 449588678 /nfs/dbraw/zinc/58/86/78/449588678.db2.gz RGJVMYAUNLHXFK-UHFFFAOYSA-N 1 2 327.432 1.083 20 30 EDEDLO COc1cncc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1C ZINC000602483843 449627171 /nfs/dbraw/zinc/62/71/71/449627171.db2.gz JJYJAIUBWBWIGG-CYBMUJFWSA-N 1 2 338.415 1.771 20 30 EDEDLO COc1cncc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1C ZINC000602483843 449627175 /nfs/dbraw/zinc/62/71/75/449627175.db2.gz JJYJAIUBWBWIGG-CYBMUJFWSA-N 1 2 338.415 1.771 20 30 EDEDLO C[C@@]1(C#N)CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000612313774 449640783 /nfs/dbraw/zinc/64/07/83/449640783.db2.gz RHYVBSIYBLTYME-KRWDZBQOSA-N 1 2 346.435 1.373 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000594802819 449715558 /nfs/dbraw/zinc/71/55/58/449715558.db2.gz DHADNBNPPPZWMC-CYBMUJFWSA-N 1 2 337.449 1.108 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000602758036 449787229 /nfs/dbraw/zinc/78/72/29/449787229.db2.gz IBTFGDKMHGMBRN-INIZCTEOSA-N 1 2 337.464 1.027 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000599130851 449753305 /nfs/dbraw/zinc/75/33/05/449753305.db2.gz LTHMAFLDQYAJOE-QGZVFWFLSA-N 1 2 346.387 1.494 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000599130851 449753313 /nfs/dbraw/zinc/75/33/13/449753313.db2.gz LTHMAFLDQYAJOE-QGZVFWFLSA-N 1 2 346.387 1.494 20 30 EDEDLO C=C[C@@](C)(O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000612532750 449756441 /nfs/dbraw/zinc/75/64/41/449756441.db2.gz RCUVZUMTRMDWHS-QGZVFWFLSA-N 1 2 337.851 1.515 20 30 EDEDLO CC(=O)N1CC[NH+]([C@H]2CN(C(=O)C3(C#N)CC4(CC4)C3)C[C@@H]2C)CC1 ZINC000601296797 449807816 /nfs/dbraw/zinc/80/78/16/449807816.db2.gz ZTVOKHZTZPDKPI-HOCLYGCPSA-N 1 2 344.459 1.081 20 30 EDEDLO CNS(=O)(=O)c1ccc([C@H](C)[NH+]2CCN(CCC#N)CC2)cc1 ZINC000601316022 449824953 /nfs/dbraw/zinc/82/49/53/449824953.db2.gz ROYXCKXNKALPRK-AWEZNQCLSA-N 1 2 336.461 1.187 20 30 EDEDLO N#CCCN1CC[NH+]([C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000601316851 449826454 /nfs/dbraw/zinc/82/64/54/449826454.db2.gz RCIXGFUIHUATDL-QGZVFWFLSA-N 1 2 348.472 1.243 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3nc(CC4CC4)no3)C2)nc1 ZINC000602835340 449844385 /nfs/dbraw/zinc/84/43/85/449844385.db2.gz AWEAMNDREGMLDB-AWEZNQCLSA-N 1 2 325.372 1.942 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3nc(CC4CC4)no3)C2)nc1 ZINC000602835340 449844390 /nfs/dbraw/zinc/84/43/90/449844390.db2.gz AWEAMNDREGMLDB-AWEZNQCLSA-N 1 2 325.372 1.942 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2CC[C@H]3C[C@H]3C2)c1=O ZINC000594897679 449799964 /nfs/dbraw/zinc/79/99/64/449799964.db2.gz PNOCPJRBVVFUQD-HYVNUMGLSA-N 1 2 327.428 1.988 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857523 449865781 /nfs/dbraw/zinc/86/57/81/449865781.db2.gz RYQIHUKZMZSTGL-WCVJEAGWSA-N 1 2 349.479 1.309 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857523 449865789 /nfs/dbraw/zinc/86/57/89/449865789.db2.gz RYQIHUKZMZSTGL-WCVJEAGWSA-N 1 2 349.479 1.309 20 30 EDEDLO C[C@H](NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)c1ccc(F)cc1 ZINC000602858632 449867707 /nfs/dbraw/zinc/86/77/07/449867707.db2.gz UDWVUWCKKBLKBD-KFWWJZLASA-N 1 2 332.423 1.921 20 30 EDEDLO Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)n(C(C)(C)C)n1 ZINC000602859485 449868969 /nfs/dbraw/zinc/86/89/69/449868969.db2.gz YYFAONGKPDVFMH-GASCZTMLSA-N 1 2 346.479 1.803 20 30 EDEDLO Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)n(C(C)(C)C)n1 ZINC000602859485 449868977 /nfs/dbraw/zinc/86/89/77/449868977.db2.gz YYFAONGKPDVFMH-GASCZTMLSA-N 1 2 346.479 1.803 20 30 EDEDLO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602861104 449871537 /nfs/dbraw/zinc/87/15/37/449871537.db2.gz KLAWPWYPTKRQRB-GASCZTMLSA-N 1 2 330.432 1.942 20 30 EDEDLO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602861104 449871539 /nfs/dbraw/zinc/87/15/39/449871539.db2.gz KLAWPWYPTKRQRB-GASCZTMLSA-N 1 2 330.432 1.942 20 30 EDEDLO C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000602866065 449875262 /nfs/dbraw/zinc/87/52/62/449875262.db2.gz YBBASWCQVKOVND-IUCAKERBSA-N 1 2 342.321 1.439 20 30 EDEDLO C=CCSCCNC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597217988 449877926 /nfs/dbraw/zinc/87/79/26/449877926.db2.gz LPVZELONVDLCLK-UHFFFAOYSA-N 1 2 348.472 1.333 20 30 EDEDLO C[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000602868305 449878118 /nfs/dbraw/zinc/87/81/18/449878118.db2.gz IZXSYRKNGDYZRA-ZDUSSCGKSA-N 1 2 346.456 1.706 20 30 EDEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3nncs3)CC2)nc1 ZINC000602907034 449912128 /nfs/dbraw/zinc/91/21/28/449912128.db2.gz KUUBTDKSOWCXGQ-UHFFFAOYSA-N 1 2 328.401 1.623 20 30 EDEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(S(=O)(=O)c2ccccc2CC#N)C1 ZINC000601448671 449971588 /nfs/dbraw/zinc/97/15/88/449971588.db2.gz MUGVUVUFVFJVKI-KGLIPLIRSA-N 1 2 346.412 1.626 20 30 EDEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602975369 449976654 /nfs/dbraw/zinc/97/66/54/449976654.db2.gz ABDIUCRYNZETTE-IRXDYDNUSA-N 1 2 348.491 1.716 20 30 EDEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602975369 449976657 /nfs/dbraw/zinc/97/66/57/449976657.db2.gz ABDIUCRYNZETTE-IRXDYDNUSA-N 1 2 348.491 1.716 20 30 EDEDLO CCOC(=O)[C@]1(C)C[N@H+](CCOc2ccc(C#N)cc2OC)CCO1 ZINC000603004100 449999661 /nfs/dbraw/zinc/99/96/61/449999661.db2.gz KFEAQSMAXAHVIY-SFHVURJKSA-N 1 2 348.399 1.600 20 30 EDEDLO CCOC(=O)[C@]1(C)C[N@@H+](CCOc2ccc(C#N)cc2OC)CCO1 ZINC000603004100 449999665 /nfs/dbraw/zinc/99/96/65/449999665.db2.gz KFEAQSMAXAHVIY-SFHVURJKSA-N 1 2 348.399 1.600 20 30 EDEDLO Cc1nc(N2CCN(C(=O)c3cc(F)c(C#N)c(F)c3)CC2)cc[nH+]1 ZINC000597504987 450067169 /nfs/dbraw/zinc/06/71/69/450067169.db2.gz VHSSXDDNVWLMCE-UHFFFAOYSA-N 1 2 343.337 1.897 20 30 EDEDLO N#C[C@@]1(F)CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000615565334 450148799 /nfs/dbraw/zinc/14/87/99/450148799.db2.gz ZYUBSLVFCWTDOF-INIZCTEOSA-N 1 2 333.367 1.065 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc3oc(C(=O)OC)cc3c2)nn1 ZINC000603230079 450161441 /nfs/dbraw/zinc/16/14/41/450161441.db2.gz SVUSKELPLZNSNO-UHFFFAOYSA-N 1 2 338.367 1.972 20 30 EDEDLO Cn1cc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000599666893 450140251 /nfs/dbraw/zinc/14/02/51/450140251.db2.gz ZIWZHTQSYMUUTC-MRXNPFEDSA-N 1 2 339.399 1.035 20 30 EDEDLO Cn1cc(C[N@H+]2CCO[C@H](CC(N)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000599666893 450140257 /nfs/dbraw/zinc/14/02/57/450140257.db2.gz ZIWZHTQSYMUUTC-MRXNPFEDSA-N 1 2 339.399 1.035 20 30 EDEDLO CC(C)OC(=O)CC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610389839 450205621 /nfs/dbraw/zinc/20/56/21/450205621.db2.gz CCTXIVURSQYERV-UHFFFAOYSA-N 1 2 332.404 1.887 20 30 EDEDLO CCN(CC)c1ccc(CNC(=O)Nc2nn(C)cc2C#N)c[nH+]1 ZINC000610563511 450262432 /nfs/dbraw/zinc/26/24/32/450262432.db2.gz GYRGFXAHDPNWST-UHFFFAOYSA-N 1 2 327.392 1.855 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618812399 450308284 /nfs/dbraw/zinc/30/82/84/450308284.db2.gz GQGRQEWQGAMPKA-NVXWUHKLSA-N 1 2 327.432 1.091 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618812399 450308288 /nfs/dbraw/zinc/30/82/88/450308288.db2.gz GQGRQEWQGAMPKA-NVXWUHKLSA-N 1 2 327.432 1.091 20 30 EDEDLO CN(C)C(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000610714814 450309660 /nfs/dbraw/zinc/30/96/60/450309660.db2.gz BPFVURHQQBJALU-UHFFFAOYSA-N 1 2 340.349 1.787 20 30 EDEDLO C=C[C@@H](NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)C(=O)OC ZINC000619701596 450311200 /nfs/dbraw/zinc/31/12/00/450311200.db2.gz OKYOERFUVVHCKE-MRXNPFEDSA-N 1 2 337.464 1.028 20 30 EDEDLO CCS(=O)(=O)CCCCC[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000616111669 450325023 /nfs/dbraw/zinc/32/50/23/450325023.db2.gz MMHIQZWXAHHIGJ-MRXNPFEDSA-N 1 2 329.510 1.757 20 30 EDEDLO CN(C)c1ccc(CNS(=O)(=O)c2cccc(CC#N)c2)c[nH+]1 ZINC000619475715 450484275 /nfs/dbraw/zinc/48/42/75/450484275.db2.gz GXDZUAOAKPVRDP-UHFFFAOYSA-N 1 2 330.413 1.692 20 30 EDEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1nn(C)cc1C#N ZINC000619536889 450500939 /nfs/dbraw/zinc/50/09/39/450500939.db2.gz ACJJUPZJSJCCFT-CYBMUJFWSA-N 1 2 327.392 2.267 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000626307111 450677150 /nfs/dbraw/zinc/67/71/50/450677150.db2.gz MSWYXJMBUBAYQE-HNNXBMFYSA-N 1 2 332.404 1.055 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000626307111 450677154 /nfs/dbraw/zinc/67/71/54/450677154.db2.gz MSWYXJMBUBAYQE-HNNXBMFYSA-N 1 2 332.404 1.055 20 30 EDEDLO C=CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000635402278 450909977 /nfs/dbraw/zinc/90/99/77/450909977.db2.gz OYDHCBHLEOBAGB-HUUCEWRRSA-N 1 2 339.461 1.672 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)OCC ZINC000628578982 451318661 /nfs/dbraw/zinc/31/86/61/451318661.db2.gz RQRLGEVYADXPSP-YJBOKZPZSA-N 1 2 340.464 1.090 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)OCC ZINC000628578982 451318665 /nfs/dbraw/zinc/31/86/65/451318665.db2.gz RQRLGEVYADXPSP-YJBOKZPZSA-N 1 2 340.464 1.090 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000632599282 451439456 /nfs/dbraw/zinc/43/94/56/451439456.db2.gz OENDRNVFAUICDM-HNNXBMFYSA-N 1 2 339.480 1.274 20 30 EDEDLO C=CCn1cc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)nn1 ZINC000644785891 451989672 /nfs/dbraw/zinc/98/96/72/451989672.db2.gz ZGOUOXLVZTYLDP-INIZCTEOSA-N 1 2 326.404 1.140 20 30 EDEDLO C=CCn1cc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)nn1 ZINC000644785891 451989680 /nfs/dbraw/zinc/98/96/80/451989680.db2.gz ZGOUOXLVZTYLDP-INIZCTEOSA-N 1 2 326.404 1.140 20 30 EDEDLO C=CCCNC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000664050392 452743718 /nfs/dbraw/zinc/74/37/18/452743718.db2.gz OOAQWVLSYZJZIP-OAHLLOKOSA-N 1 2 327.388 1.401 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000648274972 452963620 /nfs/dbraw/zinc/96/36/20/452963620.db2.gz CRWFAAPHSJECFX-CVEARBPZSA-N 1 2 333.432 1.917 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000648274972 452963627 /nfs/dbraw/zinc/96/36/27/452963627.db2.gz CRWFAAPHSJECFX-CVEARBPZSA-N 1 2 333.432 1.917 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000644392749 453396631 /nfs/dbraw/zinc/39/66/31/453396631.db2.gz LBTIFXCRAPOWSZ-XHSDSOJGSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000644392749 453396639 /nfs/dbraw/zinc/39/66/39/453396639.db2.gz LBTIFXCRAPOWSZ-XHSDSOJGSA-N 1 2 333.432 1.997 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)nn1 ZINC000657359843 453774193 /nfs/dbraw/zinc/77/41/93/453774193.db2.gz ZOGJEXSLXJTFMC-KRWDZBQOSA-N 1 2 327.432 1.643 20 30 EDEDLO COC(=O)c1ccsc1N1CC[C@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000173874874 534300602 /nfs/dbraw/zinc/30/06/02/534300602.db2.gz LSNFWIWWEJRJNK-ZDUSSCGKSA-N 1 2 333.413 1.876 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000175666421 534355915 /nfs/dbraw/zinc/35/59/15/534355915.db2.gz NRBWPJWMDSYBCU-UHFFFAOYSA-N 1 2 327.388 1.460 20 30 EDEDLO CC#CC[NH+]1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 ZINC000175464506 526364336 /nfs/dbraw/zinc/36/43/36/526364336.db2.gz POWYPCHMJSNWOW-UHFFFAOYSA-N 1 2 332.400 1.494 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174326098 527029598 /nfs/dbraw/zinc/02/95/98/527029598.db2.gz ULCHFDCVBDRISW-RYUDHWBXSA-N 1 2 328.372 1.534 20 30 EDEDLO C#CCOc1ccccc1C[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC000112145462 527126714 /nfs/dbraw/zinc/12/67/14/527126714.db2.gz ZWQZHAWVGMZDTL-UHFFFAOYSA-N 1 2 329.444 1.341 20 30 EDEDLO CC(C)COC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000101555274 528071588 /nfs/dbraw/zinc/07/15/88/528071588.db2.gz ZAZZUVWAIGUZIH-HNNXBMFYSA-N 1 2 338.452 1.547 20 30 EDEDLO CC(C)COC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000101555274 528071598 /nfs/dbraw/zinc/07/15/98/528071598.db2.gz ZAZZUVWAIGUZIH-HNNXBMFYSA-N 1 2 338.452 1.547 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000331407089 536644569 /nfs/dbraw/zinc/64/45/69/536644569.db2.gz IMXHZRYUFBXSFP-IRXDYDNUSA-N 1 2 343.427 1.779 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000331407089 536644574 /nfs/dbraw/zinc/64/45/74/536644574.db2.gz IMXHZRYUFBXSFP-IRXDYDNUSA-N 1 2 343.427 1.779 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000741255253 579405436 /nfs/dbraw/zinc/40/54/36/579405436.db2.gz QYYLPVSOBHFPBI-HNNXBMFYSA-N 1 2 331.372 1.151 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000741255253 579405437 /nfs/dbraw/zinc/40/54/37/579405437.db2.gz QYYLPVSOBHFPBI-HNNXBMFYSA-N 1 2 331.372 1.151 20 30 EDEDLO N#CCCNC(=O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000725815109 578283123 /nfs/dbraw/zinc/28/31/23/578283123.db2.gz NMZXNVNJYPWSBN-UHFFFAOYSA-N 1 2 330.388 1.223 20 30 EDEDLO N#CCCNC(=O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000725815109 578283124 /nfs/dbraw/zinc/28/31/24/578283124.db2.gz NMZXNVNJYPWSBN-UHFFFAOYSA-N 1 2 330.388 1.223 20 30 EDEDLO C=C(Br)CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000726247339 578337775 /nfs/dbraw/zinc/33/77/75/578337775.db2.gz YNXKOWQRBMSZNE-UHFFFAOYSA-N 1 2 336.193 1.975 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000728571079 578548888 /nfs/dbraw/zinc/54/88/88/578548888.db2.gz UXWAPPUUBOCMAK-UHFFFAOYSA-N 1 2 340.254 1.860 20 30 EDEDLO C[N@H+](CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCOC1 ZINC000730259618 578637499 /nfs/dbraw/zinc/63/74/99/578637499.db2.gz SYCBANRXAROTDM-WMLDXEAASA-N 1 2 328.372 1.003 20 30 EDEDLO C[N@@H+](CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCOC1 ZINC000730259618 578637500 /nfs/dbraw/zinc/63/75/00/578637500.db2.gz SYCBANRXAROTDM-WMLDXEAASA-N 1 2 328.372 1.003 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)N(CC)Cc1ccccc1 ZINC000730279837 578638784 /nfs/dbraw/zinc/63/87/84/578638784.db2.gz JANMSKJJGIPUHE-KRWDZBQOSA-N 1 2 327.428 1.249 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)N(CC)Cc1ccccc1 ZINC000730279837 578638785 /nfs/dbraw/zinc/63/87/85/578638785.db2.gz JANMSKJJGIPUHE-KRWDZBQOSA-N 1 2 327.428 1.249 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC(=O)Nc1c(F)cccc1F ZINC000732056289 578689186 /nfs/dbraw/zinc/68/91/86/578689186.db2.gz QGAWPWOONGPDNL-HNNXBMFYSA-N 1 2 349.381 1.849 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC(=O)Nc1c(F)cccc1F ZINC000732056289 578689187 /nfs/dbraw/zinc/68/91/87/578689187.db2.gz QGAWPWOONGPDNL-HNNXBMFYSA-N 1 2 349.381 1.849 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000732458585 578713442 /nfs/dbraw/zinc/71/34/42/578713442.db2.gz ORQFBPIUHAYJKN-HNNXBMFYSA-N 1 2 333.432 1.771 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000732458585 578713444 /nfs/dbraw/zinc/71/34/44/578713444.db2.gz ORQFBPIUHAYJKN-HNNXBMFYSA-N 1 2 333.432 1.771 20 30 EDEDLO Cc1nn(C)c2nc(Cl)c(C[NH+]3CCN(CCC#N)CC3)cc12 ZINC000760945121 580042171 /nfs/dbraw/zinc/04/21/71/580042171.db2.gz WBZBZSBMPTXYEM-UHFFFAOYSA-N 1 2 332.839 1.961 20 30 EDEDLO CC[N@H+](CCC#N)Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000736535568 578996720 /nfs/dbraw/zinc/99/67/20/578996720.db2.gz VPNUOJJEPOZKKY-UHFFFAOYSA-N 1 2 337.391 1.627 20 30 EDEDLO CN(C)c1nccc(N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000739413199 579202176 /nfs/dbraw/zinc/20/21/76/579202176.db2.gz JKNVGLWVSVCAHB-UHFFFAOYSA-N 1 2 344.394 1.964 20 30 EDEDLO Cc1cn2cc(NC(=O)CCNC(=O)C3N=CC=CC3=O)ccc2[nH+]1 ZINC000746197929 579576012 /nfs/dbraw/zinc/57/60/12/579576012.db2.gz WGRVLORIJWXSQH-WUKNDPDISA-N 1 2 339.355 1.498 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)Cc3ccccc3CC#N)CC2)S1 ZINC000777405073 580440946 /nfs/dbraw/zinc/44/09/46/580440946.db2.gz OGZQCLKRCBJWKQ-CQSZACIVSA-N 1 2 342.468 1.931 20 30 EDEDLO C[NH+](C)CCNC(=O)C[C@@H]1SC(=Nc2cccc(F)c2)NC1=O ZINC000748284308 579678274 /nfs/dbraw/zinc/67/82/74/579678274.db2.gz NWRHUZGGZZBJKQ-LBPRGKRZSA-N 1 2 338.408 1.113 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)Oc3ccc(Cl)cc32)CC1 ZINC000748823330 579702386 /nfs/dbraw/zinc/70/23/86/579702386.db2.gz QXXCKIQZBCKRKT-CQSZACIVSA-N 1 2 347.846 1.705 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cnnn2-c2ccccc2Cl)CC1 ZINC000748843486 579703535 /nfs/dbraw/zinc/70/35/35/579703535.db2.gz LSVCADWQASFAIW-UHFFFAOYSA-N 1 2 343.818 1.702 20 30 EDEDLO N#Cc1c(N2CC[NH+](Cc3ccco3)CC2)cccc1S(N)(=O)=O ZINC000754973942 579917164 /nfs/dbraw/zinc/91/71/64/579917164.db2.gz OVVGKKIKZKBQEF-UHFFFAOYSA-N 1 2 346.412 1.121 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000755045868 579918800 /nfs/dbraw/zinc/91/88/00/579918800.db2.gz POFTZGNAFJQROB-DOTOQJQBSA-N 1 2 329.400 1.573 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000755045868 579918801 /nfs/dbraw/zinc/91/88/01/579918801.db2.gz POFTZGNAFJQROB-DOTOQJQBSA-N 1 2 329.400 1.573 20 30 EDEDLO CCCCN=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000755554662 579929518 /nfs/dbraw/zinc/92/95/18/579929518.db2.gz YABMMEUZYYJMSV-UHFFFAOYSA-N 1 2 325.438 1.216 20 30 EDEDLO COc1cccc([C@@]2(C)NC(=O)N(N=Cc3[nH+]c[nH]c3C)C2=O)c1 ZINC000755570016 579929776 /nfs/dbraw/zinc/92/97/76/579929776.db2.gz SRINYBSCFINTIB-MRXNPFEDSA-N 1 2 327.344 1.528 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000759104428 579998593 /nfs/dbraw/zinc/99/85/93/579998593.db2.gz ZOOVWMUNUMXZOL-MRXNPFEDSA-N 1 2 349.475 1.801 20 30 EDEDLO Cc1nc(N2CCN(C(=O)COc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000759211259 580000869 /nfs/dbraw/zinc/00/08/69/580000869.db2.gz JJWLIBMKZGFKRU-UHFFFAOYSA-N 1 2 337.383 1.384 20 30 EDEDLO COc1ncc[nH+]c1NNC=c1c(C)nn2c1nc1ccccc1c2=O ZINC000763413093 580099727 /nfs/dbraw/zinc/09/97/27/580099727.db2.gz XCUDCBDGIURMFU-UHFFFAOYSA-N 1 2 349.354 1.729 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(O)CCSCC3)CC2)cc1 ZINC000764621739 580124903 /nfs/dbraw/zinc/12/49/03/580124903.db2.gz SBXNJSLDPNMPNW-UHFFFAOYSA-N 1 2 345.468 1.461 20 30 EDEDLO C#CCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000765522168 580144815 /nfs/dbraw/zinc/14/48/15/580144815.db2.gz YWVUNGBMJYKJHC-LSDHHAIUSA-N 1 2 337.876 1.809 20 30 EDEDLO C#CCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000765522168 580144816 /nfs/dbraw/zinc/14/48/16/580144816.db2.gz YWVUNGBMJYKJHC-LSDHHAIUSA-N 1 2 337.876 1.809 20 30 EDEDLO C=C(Cl)CNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000767188656 580183456 /nfs/dbraw/zinc/18/34/56/580183456.db2.gz XHHSSUUGXDAEGB-UHFFFAOYSA-N 1 2 330.837 1.504 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767480577 580190887 /nfs/dbraw/zinc/19/08/87/580190887.db2.gz RMFCFSXQQTYSPL-CWRNSKLLSA-N 1 2 330.384 1.732 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767480577 580190888 /nfs/dbraw/zinc/19/08/88/580190888.db2.gz RMFCFSXQQTYSPL-CWRNSKLLSA-N 1 2 330.384 1.732 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000775632780 580395730 /nfs/dbraw/zinc/39/57/30/580395730.db2.gz PAVYXSQIRBNXPI-OAQYLSRUSA-N 1 2 325.865 1.708 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCCO1 ZINC000776226886 580412005 /nfs/dbraw/zinc/41/20/05/580412005.db2.gz HPUBQRXDGXWUPJ-SJORKVTESA-N 1 2 328.416 1.090 20 30 EDEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]NCCOC(C)C ZINC000778548223 580467262 /nfs/dbraw/zinc/46/72/62/580467262.db2.gz SGIMDEONKOIKPI-UHFFFAOYSA-N 1 2 327.388 1.833 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000780091040 580512573 /nfs/dbraw/zinc/51/25/73/580512573.db2.gz DEVHNEKOHZQQSV-AEFFLSMTSA-N 1 2 331.416 1.887 20 30 EDEDLO COC(=O)CN1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000789408280 580744720 /nfs/dbraw/zinc/74/47/20/580744720.db2.gz LFJBGJSLJBUUON-UHFFFAOYSA-N 1 2 337.807 1.533 20 30 EDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789525425 580748574 /nfs/dbraw/zinc/74/85/74/580748574.db2.gz NBSKEWDVVPUXSU-MRXNPFEDSA-N 1 2 340.427 1.282 20 30 EDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789525425 580748575 /nfs/dbraw/zinc/74/85/75/580748575.db2.gz NBSKEWDVVPUXSU-MRXNPFEDSA-N 1 2 340.427 1.282 20 30 EDEDLO COCCN(C)c1ccc(CN=Nc2nc3ccccn3n2)c[nH+]1 ZINC000790193832 580764206 /nfs/dbraw/zinc/76/42/06/580764206.db2.gz OPRAHHJJROWJDM-UHFFFAOYSA-N 1 2 325.376 1.653 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000796604847 580957908 /nfs/dbraw/zinc/95/79/08/580957908.db2.gz PVIYKTJGTSATIX-QFIPXVFZSA-N 1 2 339.848 1.348 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1=O ZINC000799143421 581018682 /nfs/dbraw/zinc/01/86/82/581018682.db2.gz JXANSIVZTYGXNY-AWEZNQCLSA-N 1 2 344.375 1.324 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1=O ZINC000799143421 581018683 /nfs/dbraw/zinc/01/86/83/581018683.db2.gz JXANSIVZTYGXNY-AWEZNQCLSA-N 1 2 344.375 1.324 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1=O ZINC000799169125 581020815 /nfs/dbraw/zinc/02/08/15/581020815.db2.gz YXZDBBJQXPJFBA-IAGOWNOFSA-N 1 2 327.428 1.506 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)C1=O ZINC000799169125 581020816 /nfs/dbraw/zinc/02/08/16/581020816.db2.gz YXZDBBJQXPJFBA-IAGOWNOFSA-N 1 2 327.428 1.506 20 30 EDEDLO N#CCSc1ccccc1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000801174363 581067236 /nfs/dbraw/zinc/06/72/36/581067236.db2.gz NSQHMFVKONYWJG-UHFFFAOYSA-N 1 2 349.456 1.069 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000801912486 581087714 /nfs/dbraw/zinc/08/77/14/581087714.db2.gz TYDPDSNNFACMRQ-AWEZNQCLSA-N 1 2 334.395 1.310 20 30 EDEDLO CCO[C@@H](C)c1noc(CN2CC[NH+](CCO[C@@H](C)C#N)CC2)n1 ZINC000801923586 581088128 /nfs/dbraw/zinc/08/81/28/581088128.db2.gz LGRWAKAFHMZDIG-KBPBESRZSA-N 1 2 337.424 1.213 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000801930318 581088478 /nfs/dbraw/zinc/08/84/78/581088478.db2.gz MPCFKBLFFKFFRR-GJZGRUSLSA-N 1 2 348.422 1.699 20 30 EDEDLO C#C[C@@H]1CCCCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000892258811 590891537 /nfs/dbraw/zinc/89/15/37/590891537.db2.gz KAFUGYTUBZDSAG-WBVHZDCISA-N 1 2 337.489 1.392 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)[C@@H](C)Oc2ccccc2C#N)C[N@@H+]1C ZINC000893568195 590967778 /nfs/dbraw/zinc/96/77/78/590967778.db2.gz UKMIDQOMTCKZIM-IAISJRAMSA-N 1 2 346.383 1.505 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)[C@@H](C)Oc2ccccc2C#N)C[N@H+]1C ZINC000893568195 590967780 /nfs/dbraw/zinc/96/77/80/590967780.db2.gz UKMIDQOMTCKZIM-IAISJRAMSA-N 1 2 346.383 1.505 20 30 EDEDLO COC(=O)[C@@H]1[C@@H](C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C1(F)F ZINC000893923742 591139788 /nfs/dbraw/zinc/13/97/88/591139788.db2.gz HKQVHRWRXWBZAA-OCCSQVGLSA-N 1 2 336.342 1.130 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000892764303 591166268 /nfs/dbraw/zinc/16/62/68/591166268.db2.gz WTTWODDCLYQMIE-OAHLLOKOSA-N 1 2 325.372 1.575 20 30 EDEDLO C#CC1(O)CN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)C1 ZINC000891666766 591175254 /nfs/dbraw/zinc/17/52/54/591175254.db2.gz XBDAPURVTUXUJW-AWEZNQCLSA-N 1 2 328.347 1.038 20 30 EDEDLO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCN(CCC#N)CC2)nn1 ZINC000895845628 591282842 /nfs/dbraw/zinc/28/28/42/591282842.db2.gz PMRKZDRCSFGVLL-UHFFFAOYSA-N 1 2 346.435 1.855 20 30 EDEDLO C#CCCOc1ccc(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000896539000 591502065 /nfs/dbraw/zinc/50/20/65/591502065.db2.gz JFJPSJWDVRPCAZ-MAUKXSAKSA-N 1 2 329.444 1.453 20 30 EDEDLO C#CCCOc1ccc(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000896539000 591502067 /nfs/dbraw/zinc/50/20/67/591502067.db2.gz JFJPSJWDVRPCAZ-MAUKXSAKSA-N 1 2 329.444 1.453 20 30 EDEDLO C[NH+](C)Cc1csc(CNC(=O)NCc2nc(C#N)cs2)n1 ZINC000896597039 591546742 /nfs/dbraw/zinc/54/67/42/591546742.db2.gz NPNIMNYPUIHJPM-UHFFFAOYSA-N 1 2 336.446 1.532 20 30 EDEDLO COc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1OC1CC1 ZINC000895066334 591561077 /nfs/dbraw/zinc/56/10/77/591561077.db2.gz IIENRJZFHLHINA-UHFFFAOYSA-N 1 2 329.400 1.794 20 30 EDEDLO C[C@]1(C#N)CN(Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000897589275 591571603 /nfs/dbraw/zinc/57/16/03/591571603.db2.gz VOZXUXCOGURSNN-IBGZPJMESA-N 1 2 345.443 1.512 20 30 EDEDLO Cc1c(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cnn1CCC#N ZINC000897600941 591577928 /nfs/dbraw/zinc/57/79/28/591577928.db2.gz XVWSCMLFNSLDGM-UHFFFAOYSA-N 1 2 333.436 1.288 20 30 EDEDLO Cc1c(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cnn1CCC#N ZINC000897600941 591577929 /nfs/dbraw/zinc/57/79/29/591577929.db2.gz XVWSCMLFNSLDGM-UHFFFAOYSA-N 1 2 333.436 1.288 20 30 EDEDLO O=C1[C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)CCCN1O ZINC000895165541 591631986 /nfs/dbraw/zinc/63/19/86/591631986.db2.gz LFDLYXQQQXCFRX-SNVBAGLBSA-N 1 2 343.177 1.648 20 30 EDEDLO CC[C@@H](CO)Nc1cc(N2CCC3(CC2)CC(=O)C=CO3)nc[nH+]1 ZINC000896881771 591645922 /nfs/dbraw/zinc/64/59/22/591645922.db2.gz DVGWYJIVVHGLJR-ZDUSSCGKSA-N 1 2 332.404 1.502 20 30 EDEDLO CC[C@@H](CO)Nc1cc(N2CCC3(CC2)CC(=O)C=CO3)[nH+]cn1 ZINC000896881771 591645926 /nfs/dbraw/zinc/64/59/26/591645926.db2.gz DVGWYJIVVHGLJR-ZDUSSCGKSA-N 1 2 332.404 1.502 20 30 EDEDLO C#CCSCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000897001799 591709573 /nfs/dbraw/zinc/70/95/73/591709573.db2.gz NLJUSWCIJKXMNJ-ZDUSSCGKSA-N 1 2 341.477 1.020 20 30 EDEDLO C#CCSCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000897001799 591709576 /nfs/dbraw/zinc/70/95/76/591709576.db2.gz NLJUSWCIJKXMNJ-ZDUSSCGKSA-N 1 2 341.477 1.020 20 30 EDEDLO CCOc1cccc(/C=[NH+]\CCCCn2cc(C(N)=O)nn2)c1O ZINC000840713663 591750347 /nfs/dbraw/zinc/75/03/47/591750347.db2.gz UFDYAPJXHAIXBT-ZDLGFXPLSA-N 1 2 331.376 1.381 20 30 EDEDLO C[N@H+](CCc1cccc(C#N)c1)Cn1nnc(-c2cscn2)n1 ZINC000902348533 591978182 /nfs/dbraw/zinc/97/81/82/591978182.db2.gz SQKBAJZXSDTYMA-UHFFFAOYSA-N 1 2 325.401 1.800 20 30 EDEDLO C[N@@H+](CCc1cccc(C#N)c1)Cn1nnc(-c2cscn2)n1 ZINC000902348533 591978184 /nfs/dbraw/zinc/97/81/84/591978184.db2.gz SQKBAJZXSDTYMA-UHFFFAOYSA-N 1 2 325.401 1.800 20 30 EDEDLO CCO[C@H]1CC[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000902527618 592010922 /nfs/dbraw/zinc/01/09/22/592010922.db2.gz KDWPTBYHEXGWFD-MAUKXSAKSA-N 1 2 342.399 1.394 20 30 EDEDLO CCO[C@H]1CC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000902527618 592010926 /nfs/dbraw/zinc/01/09/26/592010926.db2.gz KDWPTBYHEXGWFD-MAUKXSAKSA-N 1 2 342.399 1.394 20 30 EDEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1=S ZINC000902649993 592038975 /nfs/dbraw/zinc/03/89/75/592038975.db2.gz VJJZXOMVEBUXBI-LLVKDONJSA-N 1 2 334.474 1.996 20 30 EDEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1=S ZINC000902649993 592038977 /nfs/dbraw/zinc/03/89/77/592038977.db2.gz VJJZXOMVEBUXBI-LLVKDONJSA-N 1 2 334.474 1.996 20 30 EDEDLO N#Cc1ccccc1C(F)(F)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000900603968 592066862 /nfs/dbraw/zinc/06/68/62/592066862.db2.gz ZPAJEOPLPKFZTG-HZPDHXFCSA-N 1 2 349.381 1.708 20 30 EDEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000903208469 592138643 /nfs/dbraw/zinc/13/86/43/592138643.db2.gz NCQGCBNGMWXNQP-TXEJJXNPSA-N 1 2 325.821 1.679 20 30 EDEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000903208469 592138644 /nfs/dbraw/zinc/13/86/44/592138644.db2.gz NCQGCBNGMWXNQP-TXEJJXNPSA-N 1 2 325.821 1.679 20 30 EDEDLO N#Cc1ccccc1C(F)(F)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000900867626 592162128 /nfs/dbraw/zinc/16/21/28/592162128.db2.gz VNJNHVKPTBIJKW-OAHLLOKOSA-N 1 2 349.381 1.973 20 30 EDEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(CC#N)ccn2)C1 ZINC000901096357 592230613 /nfs/dbraw/zinc/23/06/13/592230613.db2.gz SZJASJOFCSGXGL-AWEZNQCLSA-N 1 2 330.388 1.361 20 30 EDEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(CC#N)ccn2)C1 ZINC000901096357 592230615 /nfs/dbraw/zinc/23/06/15/592230615.db2.gz SZJASJOFCSGXGL-AWEZNQCLSA-N 1 2 330.388 1.361 20 30 EDEDLO C[C@H]1Cc2cc(C=NNC(=S)NCC[NH+]3CCOCC3)ccc2O1 ZINC000901130399 592241753 /nfs/dbraw/zinc/24/17/53/592241753.db2.gz QUJYSUBENXNFHY-ZDUSSCGKSA-N 1 2 348.472 1.140 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1cc(O)cc(F)c1 ZINC000901130195 592246302 /nfs/dbraw/zinc/24/63/02/592246302.db2.gz NMXUIHKICQPABI-UHFFFAOYSA-N 1 2 340.424 1.052 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000907978126 592246550 /nfs/dbraw/zinc/24/65/50/592246550.db2.gz NKMWKYYGRMXMIR-QGZVFWFLSA-N 1 2 326.400 1.499 20 30 EDEDLO N#CCCNC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000027344118 592263206 /nfs/dbraw/zinc/26/32/06/592263206.db2.gz OHTYABDMANFSDF-UHFFFAOYSA-N 1 2 340.349 1.857 20 30 EDEDLO C=CCCC[C@H]1NC(=O)N(Cc2cc[nH+]c(N3CCOCC3)c2)C1=O ZINC000904141990 592438146 /nfs/dbraw/zinc/43/81/46/592438146.db2.gz NOGZWIZNMKFBNV-OAHLLOKOSA-N 1 2 344.415 1.695 20 30 EDEDLO N#Cc1cc(S(=O)(=O)NCC[NH+]2CCC2)ccc1Br ZINC000907068488 592503863 /nfs/dbraw/zinc/50/38/63/592503863.db2.gz ZZENTQFSBZUAEF-UHFFFAOYSA-N 1 2 344.234 1.305 20 30 EDEDLO C#CCCCc1nnc(N2CC[C@H]([N@H+](C)Cc3noc(C)n3)C2)n1C ZINC000908530893 592526293 /nfs/dbraw/zinc/52/62/93/592526293.db2.gz FCUYLYWSJKTOIK-AWEZNQCLSA-N 1 2 343.435 1.173 20 30 EDEDLO C#CCCCc1nnc(N2CC[C@H]([N@@H+](C)Cc3noc(C)n3)C2)n1C ZINC000908530893 592526294 /nfs/dbraw/zinc/52/62/94/592526294.db2.gz FCUYLYWSJKTOIK-AWEZNQCLSA-N 1 2 343.435 1.173 20 30 EDEDLO C=CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)OC ZINC000905766970 592640143 /nfs/dbraw/zinc/64/01/43/592640143.db2.gz KDTXAYNBISIBDM-JTQLQIEISA-N 1 2 344.355 1.008 20 30 EDEDLO C[C@@]1(C#N)CC[C@H](OC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000905918938 592681796 /nfs/dbraw/zinc/68/17/96/592681796.db2.gz FURQCLNGFXHQKL-CBZIJGRNSA-N 1 2 336.432 1.882 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000907566345 592712641 /nfs/dbraw/zinc/71/26/41/592712641.db2.gz YAKOTXYHQKVGHK-KXPUMZMLSA-N 1 2 338.411 1.972 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000906382735 592814233 /nfs/dbraw/zinc/81/42/33/592814233.db2.gz SPCLMZPVLGMZBV-YQQAZPJKSA-N 1 2 340.489 1.292 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](C(=O)OCCn3cc[nH+]c3)C2)c(F)c1 ZINC000805590989 593110067 /nfs/dbraw/zinc/11/00/67/593110067.db2.gz KQKIUXUECWRYRN-AWEZNQCLSA-N 1 2 328.347 1.964 20 30 EDEDLO C=CCN(C)C(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000807638435 593187115 /nfs/dbraw/zinc/18/71/15/593187115.db2.gz DTRLIEMYLLCPGK-UHFFFAOYSA-N 1 2 344.459 1.482 20 30 EDEDLO C=CCN(C)C(=O)C(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000807638435 593187117 /nfs/dbraw/zinc/18/71/17/593187117.db2.gz DTRLIEMYLLCPGK-UHFFFAOYSA-N 1 2 344.459 1.482 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cccc(O)c1Br ZINC000839009728 593251283 /nfs/dbraw/zinc/25/12/83/593251283.db2.gz YTQFOTKPSVQRKR-UHFFFAOYSA-N 1 2 334.235 1.845 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C[C@H]4CCC[C@@H]4C3=O)CC2)nc1 ZINC000839972282 593268630 /nfs/dbraw/zinc/26/86/30/593268630.db2.gz XUTGPOPUESJIOX-CVEARBPZSA-N 1 2 325.416 1.291 20 30 EDEDLO S=C(NC[C@@H]1CCCO1)NN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000839393339 593297003 /nfs/dbraw/zinc/29/70/03/593297003.db2.gz YNAAPMOTAXZTSV-INIZCTEOSA-N 1 2 332.473 1.891 20 30 EDEDLO S=C(NC[C@@H]1CCCO1)NN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000839393339 593297005 /nfs/dbraw/zinc/29/70/05/593297005.db2.gz YNAAPMOTAXZTSV-INIZCTEOSA-N 1 2 332.473 1.891 20 30 EDEDLO N#CCCCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803345427 593321196 /nfs/dbraw/zinc/32/11/96/593321196.db2.gz AGQTUVDPFLNBPW-UHFFFAOYSA-N 1 2 325.372 1.299 20 30 EDEDLO C=CCN(C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000803348930 593321759 /nfs/dbraw/zinc/32/17/59/593321759.db2.gz RYVJYTPKXOZOLA-UHFFFAOYSA-N 1 2 326.400 1.912 20 30 EDEDLO C#CCC(CC#C)C(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000839792808 593413893 /nfs/dbraw/zinc/41/38/93/593413893.db2.gz OGBZGIOJEPTPMV-UHFFFAOYSA-N 1 2 328.412 1.603 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCCOc2ccc(C#N)cc2OC)C1 ZINC000805470614 593455858 /nfs/dbraw/zinc/45/58/58/593455858.db2.gz RRPOHTPIYPOHJV-MRXNPFEDSA-N 1 2 334.372 1.210 20 30 EDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCCOc2ccc(C#N)cc2OC)C1 ZINC000805470614 593455860 /nfs/dbraw/zinc/45/58/60/593455860.db2.gz RRPOHTPIYPOHJV-MRXNPFEDSA-N 1 2 334.372 1.210 20 30 EDEDLO COc1cccc(NC(=S)N[NH+]=Cc2cnc(N(C)C)n2C)c1 ZINC000811630553 593475354 /nfs/dbraw/zinc/47/53/54/593475354.db2.gz NNJWVGGRHMNPSZ-UHFFFAOYSA-N 1 2 332.433 1.815 20 30 EDEDLO CN(C)S(=O)(=O)c1ccc(N[NH2+]C2=CC(=O)N3CCC[C@H]23)cc1 ZINC000812229104 593493091 /nfs/dbraw/zinc/49/30/91/593493091.db2.gz VCRMZNLPWLOTSM-CQSZACIVSA-N 1 2 336.417 1.100 20 30 EDEDLO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCOC1 ZINC000812878873 593511789 /nfs/dbraw/zinc/51/17/89/593511789.db2.gz JHCQUIQVIXUTAG-JSGCOSHPSA-N 1 2 340.383 1.622 20 30 EDEDLO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCOC1 ZINC000812878873 593511790 /nfs/dbraw/zinc/51/17/90/593511790.db2.gz JHCQUIQVIXUTAG-JSGCOSHPSA-N 1 2 340.383 1.622 20 30 EDEDLO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCOC1 ZINC000812878872 593511815 /nfs/dbraw/zinc/51/18/15/593511815.db2.gz JHCQUIQVIXUTAG-GXTWGEPZSA-N 1 2 340.383 1.622 20 30 EDEDLO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCOC1 ZINC000812878872 593511816 /nfs/dbraw/zinc/51/18/16/593511816.db2.gz JHCQUIQVIXUTAG-GXTWGEPZSA-N 1 2 340.383 1.622 20 30 EDEDLO Cn1ncc(C=[NH+]Nc2nc(-c3ccccn3)nc3c2CCC3)c1N ZINC000814858415 593605198 /nfs/dbraw/zinc/60/51/98/593605198.db2.gz XINIXEQEAWELPZ-UHFFFAOYSA-N 1 2 334.387 1.789 20 30 EDEDLO CCc1ccc(C#CC(=O)N2CC[NH+](CC[S@@](C)=O)CC2)cc1 ZINC000815679945 593646920 /nfs/dbraw/zinc/64/69/20/593646920.db2.gz ZITBFZVZYBESAQ-HSZRJFAPSA-N 1 2 332.469 1.123 20 30 EDEDLO Cc1nc(COc2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2)no1 ZINC000819440952 593754637 /nfs/dbraw/zinc/75/46/37/593754637.db2.gz XXSSUBXKNWVCST-HNNXBMFYSA-N 1 2 345.403 1.575 20 30 EDEDLO Cc1nc(COc2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2)no1 ZINC000819440952 593754638 /nfs/dbraw/zinc/75/46/38/593754638.db2.gz XXSSUBXKNWVCST-HNNXBMFYSA-N 1 2 345.403 1.575 20 30 EDEDLO C#C[C@H](CCC)NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000820666904 593857686 /nfs/dbraw/zinc/85/76/86/593857686.db2.gz OERNSIBSYTUDDX-MRXNPFEDSA-N 1 2 333.432 1.925 20 30 EDEDLO C#CCO[C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000822313481 594030000 /nfs/dbraw/zinc/03/00/00/594030000.db2.gz MQNPFCKZZTYUGR-CZUORRHYSA-N 1 2 327.384 1.673 20 30 EDEDLO NC(CCO)=[NH+]OCc1cc2c(cc1Br)OCCCO2 ZINC000121368496 594310033 /nfs/dbraw/zinc/31/00/33/594310033.db2.gz MCRHOWOWKOKYII-UHFFFAOYSA-N 1 2 345.193 1.782 20 30 EDEDLO N#Cc1cc(-c2nn[nH]n2)c(SCc2c[nH+]c3ccccn23)nc1N ZINC000826383431 594453425 /nfs/dbraw/zinc/45/34/25/594453425.db2.gz AEACGJIXJBHQKN-UHFFFAOYSA-N 1 2 349.383 1.656 20 30 EDEDLO Cc1ccc[nH+]c1CCCNc1cccc(S(N)(=O)=O)c1C#N ZINC000828812435 594508554 /nfs/dbraw/zinc/50/85/54/594508554.db2.gz ZSZFFRMKVQDZCK-UHFFFAOYSA-N 1 2 330.413 1.954 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@]3(C)CCCO3)n2CC2CC2)CC1 ZINC000831130944 594564491 /nfs/dbraw/zinc/56/44/91/594564491.db2.gz BOYFCVKARZJAHM-SFHVURJKSA-N 1 2 329.448 1.469 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000831207096 594581169 /nfs/dbraw/zinc/58/11/69/594581169.db2.gz OXMTWMXZPDKOOO-CYBMUJFWSA-N 1 2 328.328 1.285 20 30 EDEDLO C#CCCOc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000826883346 594594501 /nfs/dbraw/zinc/59/45/01/594594501.db2.gz VNJQIAYNZQWDEN-QGZVFWFLSA-N 1 2 328.412 1.635 20 30 EDEDLO C#C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000827240818 594655622 /nfs/dbraw/zinc/65/56/22/594655622.db2.gz OMYJDHAVNUAWTE-NJAFHUGGSA-N 1 2 327.428 1.866 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N(C)Cc2ccccc2C)CC1 ZINC000831687347 594692556 /nfs/dbraw/zinc/69/25/56/594692556.db2.gz MWBGKTVRTIMVRP-UHFFFAOYSA-N 1 2 343.427 1.732 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000831687694 594692688 /nfs/dbraw/zinc/69/26/88/594692688.db2.gz VYXWQGNEQFYURC-AWEZNQCLSA-N 1 2 341.411 1.743 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000831687567 594692747 /nfs/dbraw/zinc/69/27/47/594692747.db2.gz SDBVOXLUJRICTQ-RRFJBIMHSA-N 1 2 335.448 1.849 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C#CC(C)C)cc2)CC1 ZINC000831764951 594700888 /nfs/dbraw/zinc/70/08/88/594700888.db2.gz HTFPIWPEJJUMPV-UHFFFAOYSA-N 1 2 327.428 1.949 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)O[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000835365938 594817877 /nfs/dbraw/zinc/81/78/77/594817877.db2.gz MEDHEBHTXKRPOS-CQSZACIVSA-N 1 2 325.372 1.806 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)O[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000835365938 594817879 /nfs/dbraw/zinc/81/78/79/594817879.db2.gz MEDHEBHTXKRPOS-CQSZACIVSA-N 1 2 325.372 1.806 20 30 EDEDLO C=C[C@H](C)ONC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000845632323 595035902 /nfs/dbraw/zinc/03/59/02/595035902.db2.gz KFJIITGNSYFNJO-RDJZCZTQSA-N 1 2 333.432 1.735 20 30 EDEDLO C#CC[C@H]1NC(=O)N(Cc2[nH+]ccn2CCCc2ccccc2)C1=O ZINC000842240537 595050667 /nfs/dbraw/zinc/05/06/67/595050667.db2.gz RBHQRBILKUXUKC-MRXNPFEDSA-N 1 2 336.395 1.960 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC000837327896 595085481 /nfs/dbraw/zinc/08/54/81/595085481.db2.gz XLYYZBGLQGVDNJ-UHFFFAOYSA-N 1 2 326.404 1.061 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc2[nH]c1=S ZINC000843502961 595133677 /nfs/dbraw/zinc/13/36/77/595133677.db2.gz HMNGZPAYNBOXRD-GHMZBOCLSA-N 1 2 346.456 1.727 20 30 EDEDLO C[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C[C@@H]1C(=O)OC(C)(C)C ZINC000842613684 595142258 /nfs/dbraw/zinc/14/22/58/595142258.db2.gz CJALKXZBVOAGJU-HIFRSBDPSA-N 1 2 331.416 1.977 20 30 EDEDLO C[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C[C@@H]1C(=O)OC(C)(C)C ZINC000842613684 595142260 /nfs/dbraw/zinc/14/22/60/595142260.db2.gz CJALKXZBVOAGJU-HIFRSBDPSA-N 1 2 331.416 1.977 20 30 EDEDLO C=CCn1nnn(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)c1=S ZINC000842622790 595145996 /nfs/dbraw/zinc/14/59/96/595145996.db2.gz JYMMKAXKWZSUKF-INIZCTEOSA-N 1 2 331.445 1.718 20 30 EDEDLO C=CCn1nnn(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)c1=S ZINC000842622790 595146001 /nfs/dbraw/zinc/14/60/01/595146001.db2.gz JYMMKAXKWZSUKF-INIZCTEOSA-N 1 2 331.445 1.718 20 30 EDEDLO C#CC[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C(=O)OC ZINC000837940110 595232909 /nfs/dbraw/zinc/23/29/09/595232909.db2.gz ZPLTZVPFAGUBJF-HZPDHXFCSA-N 1 2 346.452 1.458 20 30 EDEDLO N#Cc1ccc([C@@H](O)C(=O)NCC2CC[NH+](CC(F)F)CC2)cc1 ZINC000848096283 595317579 /nfs/dbraw/zinc/31/75/79/595317579.db2.gz SZWIPHQOWSZCIO-MRXNPFEDSA-N 1 2 337.370 1.685 20 30 EDEDLO CN(C(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1)c1nccs1 ZINC000844371312 595332585 /nfs/dbraw/zinc/33/25/85/595332585.db2.gz XZMSAXCPICRTSL-AWEZNQCLSA-N 1 2 330.413 1.643 20 30 EDEDLO CN(C(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1nccs1 ZINC000844371312 595332587 /nfs/dbraw/zinc/33/25/87/595332587.db2.gz XZMSAXCPICRTSL-AWEZNQCLSA-N 1 2 330.413 1.643 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)nn1 ZINC000846911563 595336286 /nfs/dbraw/zinc/33/62/86/595336286.db2.gz SHNXWTBTNZISGL-LBPRGKRZSA-N 1 2 345.369 1.745 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)nn1 ZINC000846911563 595336287 /nfs/dbraw/zinc/33/62/87/595336287.db2.gz SHNXWTBTNZISGL-LBPRGKRZSA-N 1 2 345.369 1.745 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 ZINC000847023521 595352094 /nfs/dbraw/zinc/35/20/94/595352094.db2.gz CWYOVPPZSVXVMG-TZMCWYRMSA-N 1 2 332.425 1.985 20 30 EDEDLO C#C[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 ZINC000847023521 595352097 /nfs/dbraw/zinc/35/20/97/595352097.db2.gz CWYOVPPZSVXVMG-TZMCWYRMSA-N 1 2 332.425 1.985 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)C1 ZINC000847029518 595353537 /nfs/dbraw/zinc/35/35/37/595353537.db2.gz KMNYPRLAZJTJSM-LLVKDONJSA-N 1 2 345.424 1.925 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)C1 ZINC000847029518 595353538 /nfs/dbraw/zinc/35/35/38/595353538.db2.gz KMNYPRLAZJTJSM-LLVKDONJSA-N 1 2 345.424 1.925 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN[C@@H](c2ccc(C)o2)C(F)(F)F)CC1 ZINC000847066967 595358742 /nfs/dbraw/zinc/35/87/42/595358742.db2.gz YPPYJPKXCUUFFF-HNNXBMFYSA-N 1 2 343.349 1.558 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2(C(=O)Nc3c(F)cccc3F)CC2)CC1 ZINC000847489458 595432566 /nfs/dbraw/zinc/43/25/66/595432566.db2.gz NSTXKLMEMSZLEE-UHFFFAOYSA-N 1 2 347.365 1.461 20 30 EDEDLO CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000847516943 595438996 /nfs/dbraw/zinc/43/89/96/595438996.db2.gz YUTLDYPZBHQJDZ-UHFFFAOYSA-N 1 2 332.404 1.676 20 30 EDEDLO CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000847516943 595438997 /nfs/dbraw/zinc/43/89/97/595438997.db2.gz YUTLDYPZBHQJDZ-UHFFFAOYSA-N 1 2 332.404 1.676 20 30 EDEDLO C[NH+](C)[C@H](C(=O)OCCn1ncc(C#N)c1N)c1ccc(Cl)cc1 ZINC000847640214 595461247 /nfs/dbraw/zinc/46/12/47/595461247.db2.gz FMIAOAVRLNVRHH-AWEZNQCLSA-N 1 2 347.806 1.836 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000845505126 595508566 /nfs/dbraw/zinc/50/85/66/595508566.db2.gz PCVPYHMLJFISCE-SJORKVTESA-N 1 2 338.411 1.748 20 30 EDEDLO CC(C)(CC#N)CS(=O)(=O)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000849389525 595518630 /nfs/dbraw/zinc/51/86/30/595518630.db2.gz PNAWEXNXWPLDPX-ZDUSSCGKSA-N 1 2 340.449 1.425 20 30 EDEDLO C#CCNC(=O)[C@H](C)OC(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000860100169 595578760 /nfs/dbraw/zinc/57/87/60/595578760.db2.gz LJALHFFTDCEBEY-ZDUSSCGKSA-N 1 2 340.383 1.327 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000855300488 595666594 /nfs/dbraw/zinc/66/65/94/595666594.db2.gz VISRLCHVGADNJP-DNVCBOLYSA-N 1 2 335.411 1.924 20 30 EDEDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(C#N)c(OC)c1 ZINC000851101516 595728097 /nfs/dbraw/zinc/72/80/97/595728097.db2.gz CVTWGCAHTQFWOW-CZUORRHYSA-N 1 2 348.399 1.459 20 30 EDEDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ccc(C#N)c(OC)c1 ZINC000851101516 595728100 /nfs/dbraw/zinc/72/81/00/595728100.db2.gz CVTWGCAHTQFWOW-CZUORRHYSA-N 1 2 348.399 1.459 20 30 EDEDLO COC(=O)Cc1cc[nH+]c(N(C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000853711379 595861085 /nfs/dbraw/zinc/86/10/85/595861085.db2.gz STVNBACNZSVVLX-INIZCTEOSA-N 1 2 325.368 1.839 20 30 EDEDLO C[C@H](CC#N)C(=O)OCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000861023853 595867841 /nfs/dbraw/zinc/86/78/41/595867841.db2.gz QJGYSQPQCHFLQQ-OAHLLOKOSA-N 1 2 329.400 1.537 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)OCCc1ccccc1 ZINC000858943057 595928274 /nfs/dbraw/zinc/92/82/74/595928274.db2.gz XAQKPEDUUBPFDV-UHFFFAOYSA-N 1 2 331.416 1.914 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(C=O)cc1 ZINC000858943846 595928847 /nfs/dbraw/zinc/92/88/47/595928847.db2.gz BVCUTKTXPDADJP-UHFFFAOYSA-N 1 2 329.400 1.116 20 30 EDEDLO C#Cc1ccccc1CC(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000854339846 596041953 /nfs/dbraw/zinc/04/19/53/596041953.db2.gz FGFFOQKIQDDXFR-UHFFFAOYSA-N 1 2 338.411 1.896 20 30 EDEDLO C#CC[C@@H](CCOC)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000859424973 596090340 /nfs/dbraw/zinc/09/03/40/596090340.db2.gz XKKWPCHEQBTUNP-INIZCTEOSA-N 1 2 347.440 1.638 20 30 EDEDLO C#C[C@@H](NC(=O)NCCc1cn2c(cccc2C)[nH+]1)C1CCOCC1 ZINC000852395774 596146204 /nfs/dbraw/zinc/14/62/04/596146204.db2.gz DLXWFTXIFNRJNI-QGZVFWFLSA-N 1 2 340.427 1.913 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)O[C@H](C#N)COC)[C@@H]1c1c[nH+]cn1C ZINC000857067091 596151434 /nfs/dbraw/zinc/15/14/34/596151434.db2.gz DHWUIJGGFLSGBT-XJKCOSOUSA-N 1 2 348.403 1.192 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852723862 596233348 /nfs/dbraw/zinc/23/33/48/596233348.db2.gz ITJVWJKLQMKLBJ-CYBMUJFWSA-N 1 2 342.399 1.802 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCn4cc[nH+]c43)CC2)cc1 ZINC000868657963 596262195 /nfs/dbraw/zinc/26/21/95/596262195.db2.gz KSHSMDYJJQVNFK-INIZCTEOSA-N 1 2 336.399 1.731 20 30 EDEDLO CC(C)(C#N)CC(=O)O[C@@H]1C[C@@H]2C(=O)NCc3ccc[nH+]c3N2C1 ZINC000870521125 596269893 /nfs/dbraw/zinc/26/98/93/596269893.db2.gz FPCQQVGTOOZGPX-CHWSQXEVSA-N 1 2 328.372 1.142 20 30 EDEDLO N#Cc1ccc(C2(NC(=O)/C=C\C[NH+]3CCOCC3)CCC2)cc1 ZINC000869202028 596444268 /nfs/dbraw/zinc/44/42/68/596444268.db2.gz YKTZYELBXKWFOT-IWQZZHSRSA-N 1 2 325.412 1.942 20 30 EDEDLO C=CCOc1ccc(/C=C\C(=O)NC[C@H]2COCC[N@@H+]2C)cc1OC ZINC000862972658 596471118 /nfs/dbraw/zinc/47/11/18/596471118.db2.gz FDGPUNURAIVSAB-IOBAAEILSA-N 1 2 346.427 1.720 20 30 EDEDLO C=CCOc1ccc(/C=C\C(=O)NC[C@H]2COCC[N@H+]2C)cc1OC ZINC000862972658 596471119 /nfs/dbraw/zinc/47/11/19/596471119.db2.gz FDGPUNURAIVSAB-IOBAAEILSA-N 1 2 346.427 1.720 20 30 EDEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccnc1C#N ZINC000867680511 596493070 /nfs/dbraw/zinc/49/30/70/596493070.db2.gz PICDOAWLAINAJD-UHFFFAOYSA-N 1 2 346.412 1.970 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C[C@H]1CCc2ccccc2C1 ZINC000863067266 596499564 /nfs/dbraw/zinc/49/95/64/596499564.db2.gz QGKHUJRNWLHKRS-HNNXBMFYSA-N 1 2 346.500 1.574 20 30 EDEDLO CCC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(N)cc1 ZINC000863068362 596499578 /nfs/dbraw/zinc/49/95/78/596499578.db2.gz BBVMMLSPBVOLEH-UHFFFAOYSA-N 1 2 349.504 1.569 20 30 EDEDLO C[C@@H]1C[NH+]=C(NN=C2C(=O)Nc3ccc(F)c(Br)c32)N1 ZINC000863104821 596502916 /nfs/dbraw/zinc/50/29/16/596502916.db2.gz FOLIIVUWVTVHOR-RXMQYKEDSA-N 1 2 340.156 1.182 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2coc(C3CC3)n2)c1=O ZINC000865367993 596553126 /nfs/dbraw/zinc/55/31/26/596553126.db2.gz JCYJGNVZGOOCAQ-UHFFFAOYSA-N 1 2 340.383 1.466 20 30 EDEDLO O=C(C#Cc1cccs1)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000863497579 596599667 /nfs/dbraw/zinc/59/96/67/596599667.db2.gz XPQKAUVDOIEVBD-INIZCTEOSA-N 1 2 341.436 1.512 20 30 EDEDLO O=C(C#Cc1cccs1)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000863497579 596599670 /nfs/dbraw/zinc/59/96/70/596599670.db2.gz XPQKAUVDOIEVBD-INIZCTEOSA-N 1 2 341.436 1.512 20 30 EDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)C2(C#N)CCCC2)CC1 ZINC000871541396 596620022 /nfs/dbraw/zinc/62/00/22/596620022.db2.gz VQPLTULLXZUQDT-UHFFFAOYSA-N 1 2 335.448 1.993 20 30 EDEDLO CC1CC(C#N)(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1 ZINC000871542500 596621571 /nfs/dbraw/zinc/62/15/71/596621571.db2.gz FZNWHDVJEWVIBB-UHFFFAOYSA-N 1 2 335.448 1.849 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868056146 596672661 /nfs/dbraw/zinc/67/26/61/596672661.db2.gz QTGDOXKIMGBUCE-SUMWQHHRSA-N 1 2 328.416 1.045 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000869972964 596694279 /nfs/dbraw/zinc/69/42/79/596694279.db2.gz GTTZKWKKXPNPPL-LBPRGKRZSA-N 1 2 346.362 1.567 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870074496 596736249 /nfs/dbraw/zinc/73/62/49/596736249.db2.gz WWAQEJSPISAJOS-SFHVURJKSA-N 1 2 346.427 1.425 20 30 EDEDLO C[C@](O)(C[C@H](O)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1)C1CC1 ZINC000863970511 596738520 /nfs/dbraw/zinc/73/85/20/596738520.db2.gz SMJJHMTWPVGAFN-YTQUADARSA-N 1 2 329.444 1.851 20 30 EDEDLO C[C@](O)(C[C@H](O)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)C1CC1 ZINC000863970511 596738521 /nfs/dbraw/zinc/73/85/21/596738521.db2.gz SMJJHMTWPVGAFN-YTQUADARSA-N 1 2 329.444 1.851 20 30 EDEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)CC2(O)CCOCC2)C1 ZINC000863970014 596738549 /nfs/dbraw/zinc/73/85/49/596738549.db2.gz MYFOFNZHTHPJPD-AEFFLSMTSA-N 1 2 345.443 1.231 20 30 EDEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@H](O)CC2(O)CCOCC2)C1 ZINC000863970014 596738552 /nfs/dbraw/zinc/73/85/52/596738552.db2.gz MYFOFNZHTHPJPD-AEFFLSMTSA-N 1 2 345.443 1.231 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)cc1 ZINC000870093779 596747733 /nfs/dbraw/zinc/74/77/33/596747733.db2.gz QBSMOMTXDLZVNQ-INIZCTEOSA-N 1 2 335.411 1.666 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 ZINC000866030096 596765091 /nfs/dbraw/zinc/76/50/91/596765091.db2.gz TYUVSEKIVRFQKF-XMMPIXPASA-N 1 2 344.440 1.176 20 30 EDEDLO C=CCOCCNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000868488238 596858279 /nfs/dbraw/zinc/85/82/79/596858279.db2.gz YKBMRQZKCMXXRM-UHFFFAOYSA-N 1 2 341.452 1.294 20 30 EDEDLO Cc1ccc(N=NCc2ccc(OCC[NH+]3CCOCC3)cc2)nn1 ZINC000872350084 596883640 /nfs/dbraw/zinc/88/36/40/596883640.db2.gz KLWKKIJXHNTQBM-UHFFFAOYSA-N 1 2 341.415 1.942 20 30 EDEDLO C(=NOC1CCOCC1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872366573 596895826 /nfs/dbraw/zinc/89/58/26/596895826.db2.gz FBBSYLHQMDGASL-UHFFFAOYSA-N 1 2 334.416 1.927 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Br)cnc1F ZINC000875706077 596953841 /nfs/dbraw/zinc/95/38/41/596953841.db2.gz ZJKXCSROXYGXPQ-GFCCVEGCSA-N 1 2 329.173 1.557 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C[C@]4(CCOC4)CC3=O)CC2)cc1 ZINC000872728463 597048770 /nfs/dbraw/zinc/04/87/70/597048770.db2.gz MOUBMUVWXKXFGC-IBGZPJMESA-N 1 2 340.427 1.277 20 30 EDEDLO C=CCN1CCN(C[N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)C1=O ZINC000872820608 597085349 /nfs/dbraw/zinc/08/53/49/597085349.db2.gz QBNHKVLBFHTEKK-INIZCTEOSA-N 1 2 344.415 1.825 20 30 EDEDLO C=CCN1CCN(C[N@@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)C1=O ZINC000872820608 597085354 /nfs/dbraw/zinc/08/53/54/597085354.db2.gz QBNHKVLBFHTEKK-INIZCTEOSA-N 1 2 344.415 1.825 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1C#N ZINC000874843310 597195651 /nfs/dbraw/zinc/19/56/51/597195651.db2.gz NJJHQNSYQQOGJG-STQMWFEESA-N 1 2 332.429 1.689 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1C#N ZINC000874843310 597195652 /nfs/dbraw/zinc/19/56/52/597195652.db2.gz NJJHQNSYQQOGJG-STQMWFEESA-N 1 2 332.429 1.689 20 30 EDEDLO Cc1cc(N2CC[C@H]([NH2+]Cc3cc(C#N)cnc3Cl)C2=O)n(C)n1 ZINC000877069768 597425770 /nfs/dbraw/zinc/42/57/70/597425770.db2.gz OYCCKNILMFEQTO-ZDUSSCGKSA-N 1 2 344.806 1.544 20 30 EDEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000873938364 597460044 /nfs/dbraw/zinc/46/00/44/597460044.db2.gz JJNCUFILCVXQPG-UKRRQHHQSA-N 1 2 345.447 1.518 20 30 EDEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000873938364 597460045 /nfs/dbraw/zinc/46/00/45/597460045.db2.gz JJNCUFILCVXQPG-UKRRQHHQSA-N 1 2 345.447 1.518 20 30 EDEDLO CN(C)C(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)[nH]1 ZINC000877744930 597552308 /nfs/dbraw/zinc/55/23/08/597552308.db2.gz BHNOMDSBNZVZPI-UHFFFAOYSA-N 1 2 337.427 1.910 20 30 EDEDLO CN1C(=O)[C@H]2C[N@H+](Cc3ccc(Br)cc3C#N)C[C@H]2C1=O ZINC000879535128 597623857 /nfs/dbraw/zinc/62/38/57/597623857.db2.gz HCUILZVRVXCNDF-BETUJISGSA-N 1 2 348.200 1.367 20 30 EDEDLO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(Br)cc3C#N)C[C@H]2C1=O ZINC000879535128 597623861 /nfs/dbraw/zinc/62/38/61/597623861.db2.gz HCUILZVRVXCNDF-BETUJISGSA-N 1 2 348.200 1.367 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000879610964 597656757 /nfs/dbraw/zinc/65/67/57/597656757.db2.gz NINGDZNGJSJUFH-NXHRZFHOSA-N 1 2 345.443 1.366 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000879610964 597656759 /nfs/dbraw/zinc/65/67/59/597656759.db2.gz NINGDZNGJSJUFH-NXHRZFHOSA-N 1 2 345.443 1.366 20 30 EDEDLO C#CCOc1cccc(NC(=O)NCC[N@H+]2CCOC[C@H]2CC)c1 ZINC000878664801 597672259 /nfs/dbraw/zinc/67/22/59/597672259.db2.gz DAUQNGLFKDHPGJ-MRXNPFEDSA-N 1 2 331.416 1.931 20 30 EDEDLO C#CCOc1cccc(NC(=O)NCC[N@@H+]2CCOC[C@H]2CC)c1 ZINC000878664801 597672262 /nfs/dbraw/zinc/67/22/62/597672262.db2.gz DAUQNGLFKDHPGJ-MRXNPFEDSA-N 1 2 331.416 1.931 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880016578 597809983 /nfs/dbraw/zinc/80/99/83/597809983.db2.gz VXKHFQFBPGJMKU-BHYGNILZSA-N 1 2 340.489 1.332 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880016578 597809984 /nfs/dbraw/zinc/80/99/84/597809984.db2.gz VXKHFQFBPGJMKU-BHYGNILZSA-N 1 2 340.489 1.332 20 30 EDEDLO CC[C@H](CO)[NH+]1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882031583 597847349 /nfs/dbraw/zinc/84/73/49/597847349.db2.gz IQEOOVFLDSGXFE-GFCCVEGCSA-N 1 2 339.237 1.609 20 30 EDEDLO COc1cccc(C[NH+]2CCN(CC(=O)Nc3nncs3)CC2)c1 ZINC000023251253 597900423 /nfs/dbraw/zinc/90/04/23/597900423.db2.gz KFGCZBQIQBIKEV-UHFFFAOYSA-N 1 2 347.444 1.953 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000884065224 597984037 /nfs/dbraw/zinc/98/40/37/597984037.db2.gz IGYZUQKEGVMCBF-FUHWJXTLSA-N 1 2 346.427 1.405 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000884305623 598059959 /nfs/dbraw/zinc/05/99/59/598059959.db2.gz BAJLDWUIGIFMBN-FZMZJTMJSA-N 1 2 348.399 1.081 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc(CC#N)n1 ZINC000881146272 598086917 /nfs/dbraw/zinc/08/69/17/598086917.db2.gz MZNULLBOXNSIBG-HIFRSBDPSA-N 1 2 329.404 1.475 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000884383088 598087801 /nfs/dbraw/zinc/08/78/01/598087801.db2.gz ZWGQCUXNDJGUME-MAUKXSAKSA-N 1 2 334.391 1.762 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2cn(CC)nn2)[C@@H]1C ZINC000993630185 696292644 /nfs/dbraw/zinc/29/26/44/696292644.db2.gz KLYIYDTZVFNBCT-GXTWGEPZSA-N 1 2 325.844 1.562 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cn(CC)nn2)[C@@H]1C ZINC000993630185 696292646 /nfs/dbraw/zinc/29/26/46/696292646.db2.gz KLYIYDTZVFNBCT-GXTWGEPZSA-N 1 2 325.844 1.562 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)C3CC3)C2)C1 ZINC000993632354 696293203 /nfs/dbraw/zinc/29/32/03/696293203.db2.gz RUVWSBOGHWSHJZ-HUUCEWRRSA-N 1 2 342.443 1.597 20 30 EDEDLO C[C@H](C#N)C(=O)NCc1ccc([C@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001060620959 696409722 /nfs/dbraw/zinc/40/97/22/696409722.db2.gz WJHFILULHPXTTD-KGLIPLIRSA-N 1 2 339.399 1.536 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnc(C)nc3)[C@@H]2C)nc1 ZINC000994255802 696660730 /nfs/dbraw/zinc/66/07/30/696660730.db2.gz QWFUDRQGDBVKBM-KDOFPFPSSA-N 1 2 349.438 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnc(C)nc3)[C@@H]2C)nc1 ZINC000994255802 696660732 /nfs/dbraw/zinc/66/07/32/696660732.db2.gz QWFUDRQGDBVKBM-KDOFPFPSSA-N 1 2 349.438 1.944 20 30 EDEDLO Cc1ccc(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1C#N ZINC000917006332 696873936 /nfs/dbraw/zinc/87/39/36/696873936.db2.gz AOOLXFXLDKBQBN-HUUCEWRRSA-N 1 2 330.432 1.775 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC000994612699 697312528 /nfs/dbraw/zinc/31/25/28/697312528.db2.gz JBWRCJGGMIHWDT-ZDUSSCGKSA-N 1 2 342.443 1.506 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC000994612699 697312532 /nfs/dbraw/zinc/31/25/32/697312532.db2.gz JBWRCJGGMIHWDT-ZDUSSCGKSA-N 1 2 342.443 1.506 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@]34C[C@H]3COC4)C2)c1 ZINC001031687098 697523037 /nfs/dbraw/zinc/52/30/37/697523037.db2.gz LHVQMIKKASNIED-YJBOKZPZSA-N 1 2 329.375 1.282 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2ccns2)C1 ZINC001031706874 697692737 /nfs/dbraw/zinc/69/27/37/697692737.db2.gz JAEOJKZFXREXOO-UHFFFAOYSA-N 1 2 342.424 1.885 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC001031716669 697749009 /nfs/dbraw/zinc/74/90/09/697749009.db2.gz MSIOVJACYWBXSX-UHFFFAOYSA-N 1 2 334.423 1.543 20 30 EDEDLO C[C@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032074904 698139086 /nfs/dbraw/zinc/13/90/86/698139086.db2.gz ZOFABZILHLLZBN-MLGOLLRUSA-N 1 2 331.391 1.670 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000994844446 698239270 /nfs/dbraw/zinc/23/92/70/698239270.db2.gz IDSAQMLODOZFFC-UHFFFAOYSA-N 1 2 329.400 1.316 20 30 EDEDLO COCc1nc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)co1 ZINC001032083394 698403048 /nfs/dbraw/zinc/40/30/48/698403048.db2.gz SXESFUCCCKXSDF-UHFFFAOYSA-N 1 2 340.383 1.554 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc4ccccc4c3C)CC2)C1 ZINC000941489251 701556612 /nfs/dbraw/zinc/55/66/12/701556612.db2.gz CJWYAYIJVICIOU-UHFFFAOYSA-N 1 2 348.450 1.618 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nc(COC)no3)C2)C1 ZINC000939102768 699165631 /nfs/dbraw/zinc/16/56/31/699165631.db2.gz LGMJQJPYVDSCJC-OLZOCXBDSA-N 1 2 334.420 1.509 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](c3ccncc3)C(C)C)CC2)C1 ZINC000941534092 701573769 /nfs/dbraw/zinc/57/37/69/701573769.db2.gz LMOMBAUYLUZIBD-IBGZPJMESA-N 1 2 340.471 1.283 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CO[C@H]3CCCC[C@H]3C)CC2)C1 ZINC000941590643 701585739 /nfs/dbraw/zinc/58/57/39/701585739.db2.gz SUZDUSLGRXHEAX-MJGOQNOKSA-N 1 2 347.503 1.433 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4cnccc4n3)CC2)C1 ZINC000941582124 701589365 /nfs/dbraw/zinc/58/93/65/701589365.db2.gz ICICISMCOIRTHD-UHFFFAOYSA-N 1 2 349.438 1.095 20 30 EDEDLO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(C)cc4cn[nH]c43)CC2)C1 ZINC000941605305 701593989 /nfs/dbraw/zinc/59/39/89/701593989.db2.gz AZLGDSHMNCZWPJ-UHFFFAOYSA-N 1 2 339.443 1.499 20 30 EDEDLO C=CC[NH+]1CC(N2CCN(C(=O)c3cc(C)cc4c[nH]nc43)CC2)C1 ZINC000941605305 701593990 /nfs/dbraw/zinc/59/39/90/701593990.db2.gz AZLGDSHMNCZWPJ-UHFFFAOYSA-N 1 2 339.443 1.499 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)COC4)CC2)C1 ZINC000941605739 701594319 /nfs/dbraw/zinc/59/43/19/701594319.db2.gz XAKUNDDPOCTWJY-UHFFFAOYSA-N 1 2 339.439 1.182 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3cccnc3)CC2)C1 ZINC000941640766 701600277 /nfs/dbraw/zinc/60/02/77/701600277.db2.gz ANWYCZLCZNAGKD-INIZCTEOSA-N 1 2 326.444 1.037 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3nc(C)sc3C)C2)c1 ZINC001031963601 701603956 /nfs/dbraw/zinc/60/39/56/701603956.db2.gz POTAMWOJIVCUFM-UHFFFAOYSA-N 1 2 340.452 1.998 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC000941657266 701606831 /nfs/dbraw/zinc/60/68/31/701606831.db2.gz WWPSLFSBGIARMM-UHFFFAOYSA-N 1 2 333.382 1.430 20 30 EDEDLO C#C[C@@H](C)NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000185985769 700596561 /nfs/dbraw/zinc/59/65/61/700596561.db2.gz CFBHVOIRNWQLGJ-OAHLLOKOSA-N 1 2 331.416 1.219 20 30 EDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)C(C)(C)C1 ZINC000940757222 700892399 /nfs/dbraw/zinc/89/23/99/700892399.db2.gz VVFJTHUSDZWLPQ-ZDUSSCGKSA-N 1 2 338.429 1.147 20 30 EDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)C(C)(C)C1 ZINC000940757222 700892401 /nfs/dbraw/zinc/89/24/01/700892401.db2.gz VVFJTHUSDZWLPQ-ZDUSSCGKSA-N 1 2 338.429 1.147 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nncn2C)CC1(C)C ZINC000941039463 701061646 /nfs/dbraw/zinc/06/16/46/701061646.db2.gz QLFKPNRGFMXOBH-QLFBSQMISA-N 1 2 347.463 1.123 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nncn2C)CC1(C)C ZINC000941039463 701061649 /nfs/dbraw/zinc/06/16/49/701061649.db2.gz QLFKPNRGFMXOBH-QLFBSQMISA-N 1 2 347.463 1.123 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H]2[C@@H](CCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000945940370 701299642 /nfs/dbraw/zinc/29/96/42/701299642.db2.gz BVJQLFFHSLYNGJ-DOTOQJQBSA-N 1 2 340.427 1.205 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H]2[C@@H](CCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000945940370 701299644 /nfs/dbraw/zinc/29/96/44/701299644.db2.gz BVJQLFFHSLYNGJ-DOTOQJQBSA-N 1 2 340.427 1.205 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000941266186 701438568 /nfs/dbraw/zinc/43/85/68/701438568.db2.gz CWHWLUUAGDUPFI-MGPQQGTHSA-N 1 2 330.432 1.833 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000941266186 701438569 /nfs/dbraw/zinc/43/85/69/701438569.db2.gz CWHWLUUAGDUPFI-MGPQQGTHSA-N 1 2 330.432 1.833 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2conc2C)C1 ZINC001031945656 701497174 /nfs/dbraw/zinc/49/71/74/701497174.db2.gz PJMASKVLOCNSON-UHFFFAOYSA-N 1 2 340.383 1.725 20 30 EDEDLO Cc1nocc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031945711 701498578 /nfs/dbraw/zinc/49/85/78/701498578.db2.gz RGWYFQCWZLWILU-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4ccccc4nc3C)CC2)C1 ZINC000941427170 701525923 /nfs/dbraw/zinc/52/59/23/701525923.db2.gz RJALNTPXEWUDAF-UHFFFAOYSA-N 1 2 348.450 1.618 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[C@@H](OC)C3)CC2)C1 ZINC000941427539 701526245 /nfs/dbraw/zinc/52/62/45/701526245.db2.gz FAYFWFSLTRAZGE-IEBWSBKVSA-N 1 2 347.503 1.433 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Oc3cccc(F)c3)CC2)C1 ZINC000941413864 701528814 /nfs/dbraw/zinc/52/88/14/701528814.db2.gz HTWFFGXILZLKNE-HNNXBMFYSA-N 1 2 345.418 1.055 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(OCCC)c3)CC2)C1 ZINC000941428488 701528865 /nfs/dbraw/zinc/52/88/65/701528865.db2.gz QVGUECQAFZBOQY-UHFFFAOYSA-N 1 2 341.455 1.551 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3scnc3CC)CC2)C1 ZINC000941430747 701537715 /nfs/dbraw/zinc/53/77/15/701537715.db2.gz BYCJXUMKJZFXAK-UHFFFAOYSA-N 1 2 332.473 1.171 20 30 EDEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3cncc(OC)n3)C2)CC1 ZINC001031952111 701543417 /nfs/dbraw/zinc/54/34/17/701543417.db2.gz YOEDLRHOVQQBRR-UHFFFAOYSA-N 1 2 330.432 1.780 20 30 EDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@@H](NCC#N)C1 ZINC000999184353 706612746 /nfs/dbraw/zinc/61/27/46/706612746.db2.gz CNCQELKRBXGULH-BZUAXINKSA-N 1 2 327.432 1.258 20 30 EDEDLO C#CCOc1ncccc1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001032136230 701899437 /nfs/dbraw/zinc/89/94/37/701899437.db2.gz GVSXEUXMUZAAGJ-UHFFFAOYSA-N 1 2 342.424 1.412 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnsn2)[C@@H](C)C1 ZINC000941838402 701906176 /nfs/dbraw/zinc/90/61/76/701906176.db2.gz WYYWIOVOKVREBL-WPRPVWTQSA-N 1 2 345.266 1.887 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnsn2)[C@@H](C)C1 ZINC000941838402 701906179 /nfs/dbraw/zinc/90/61/79/701906179.db2.gz WYYWIOVOKVREBL-WPRPVWTQSA-N 1 2 345.266 1.887 20 30 EDEDLO CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)o1 ZINC000941968239 702229436 /nfs/dbraw/zinc/22/94/36/702229436.db2.gz VUCPZXWTZGORTD-WCQYABFASA-N 1 2 342.403 1.472 20 30 EDEDLO CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)o1 ZINC000941968239 702229441 /nfs/dbraw/zinc/22/94/41/702229441.db2.gz VUCPZXWTZGORTD-WCQYABFASA-N 1 2 342.403 1.472 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cnns2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941962606 702247357 /nfs/dbraw/zinc/24/73/57/702247357.db2.gz GDKHIDNAMUNOGT-IINYFYTJSA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cnns2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941962606 702247361 /nfs/dbraw/zinc/24/73/61/702247361.db2.gz GDKHIDNAMUNOGT-IINYFYTJSA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000942216931 702718841 /nfs/dbraw/zinc/71/88/41/702718841.db2.gz TXMMMZQFOSRHAA-ABAIWWIYSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000942216931 702718843 /nfs/dbraw/zinc/71/88/43/702718843.db2.gz TXMMMZQFOSRHAA-ABAIWWIYSA-N 1 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703730243 /nfs/dbraw/zinc/73/02/43/703730243.db2.gz ZCYRETVHQWXKNE-OALUTQOASA-N 1 2 347.418 1.336 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001004220161 704020926 /nfs/dbraw/zinc/02/09/26/704020926.db2.gz ITUIXFYEXOYKNO-ZDUSSCGKSA-N 1 2 330.432 1.616 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033086123 704150954 /nfs/dbraw/zinc/15/09/54/704150954.db2.gz FUMSRAKNTQWERQ-KSZLIROESA-N 1 2 346.475 1.742 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033086123 704150956 /nfs/dbraw/zinc/15/09/56/704150956.db2.gz FUMSRAKNTQWERQ-KSZLIROESA-N 1 2 346.475 1.742 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)nn1 ZINC001061478254 704269371 /nfs/dbraw/zinc/26/93/71/704269371.db2.gz SQJRQIXEYOPDSY-CQSZACIVSA-N 1 2 347.382 1.623 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc3c([nH]2)CCOC3)CC1 ZINC001004456977 704450370 /nfs/dbraw/zinc/45/03/70/704450370.db2.gz 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CCCc1noc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998960682 706380548 /nfs/dbraw/zinc/38/05/48/706380548.db2.gz HFLJREPYIRQKMB-CYBMUJFWSA-N 1 2 342.403 1.616 20 30 EDEDLO CCc1noc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998958355 706398882 /nfs/dbraw/zinc/39/88/82/706398882.db2.gz UWQGXNABZDZMAW-YPMHNXCESA-N 1 2 342.403 1.787 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2noc(CC)n2)C1 ZINC000999426808 706933452 /nfs/dbraw/zinc/93/34/52/706933452.db2.gz DQQOAPBULXKXIF-PQAZSJQKSA-N 1 2 334.420 1.302 20 30 EDEDLO CCc1nc(C#N)cc(NC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001060887742 707373310 /nfs/dbraw/zinc/37/33/10/707373310.db2.gz PLYLKBSCIZSAJB-CYBMUJFWSA-N 1 2 339.403 1.068 20 30 EDEDLO CCc1nc(C#N)cc(NC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001060887745 707373677 /nfs/dbraw/zinc/37/36/77/707373677.db2.gz PLYLKBSCIZSAJB-ZDUSSCGKSA-N 1 2 339.403 1.068 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2nccs2)c1 ZINC001032724939 707707304 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1.874 20 30 EDEDLO CN(C(=O)c1cccnn1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033524751 708139443 /nfs/dbraw/zinc/13/94/43/708139443.db2.gz BQOFJSIUNXISAB-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO CN(C(=O)c1cccnn1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033524751 708139444 /nfs/dbraw/zinc/13/94/44/708139444.db2.gz BQOFJSIUNXISAB-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CNc2nccnc2C#N)C1 ZINC001061004191 708149269 /nfs/dbraw/zinc/14/92/69/708149269.db2.gz HIHWPSSQMLLCST-OLZOCXBDSA-N 1 2 339.403 1.211 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CNc2nccnc2C#N)C1 ZINC001061004191 708149272 /nfs/dbraw/zinc/14/92/72/708149272.db2.gz HIHWPSSQMLLCST-OLZOCXBDSA-N 1 2 339.403 1.211 20 30 EDEDLO N#Cc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)cc1F ZINC001032815422 708155490 /nfs/dbraw/zinc/15/54/90/708155490.db2.gz YDNLELXCYVNGQK-HOTGVXAUSA-N 1 2 339.374 1.379 20 30 EDEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001033616932 708343746 /nfs/dbraw/zinc/34/37/46/708343746.db2.gz NZPQVRFNRQOIEP-SFHVURJKSA-N 1 2 336.439 1.677 20 30 EDEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001033616932 708343748 /nfs/dbraw/zinc/34/37/48/708343748.db2.gz NZPQVRFNRQOIEP-SFHVURJKSA-N 1 2 336.439 1.677 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2C)CC1 ZINC001005252419 708410672 /nfs/dbraw/zinc/41/06/72/708410672.db2.gz QWFKAMNAUGRFHG-RDJZCZTQSA-N 1 2 344.459 1.983 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C)C1 ZINC001005252953 708412973 /nfs/dbraw/zinc/41/29/73/708412973.db2.gz FXOPQWWFDVDONI-DZGCQCFKSA-N 1 2 330.432 1.662 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(C(C)=O)CC2)C1 ZINC001033649373 708432889 /nfs/dbraw/zinc/43/28/89/708432889.db2.gz YZEVERFRCYPHJW-OAHLLOKOSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(C(C)=O)CC2)C1 ZINC001033649373 708432890 /nfs/dbraw/zinc/43/28/90/708432890.db2.gz YZEVERFRCYPHJW-OAHLLOKOSA-N 1 2 327.856 1.530 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001033802526 708796584 /nfs/dbraw/zinc/79/65/84/708796584.db2.gz WONLLECEHLNQOV-AWEZNQCLSA-N 1 2 343.387 1.620 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001033802526 708796585 /nfs/dbraw/zinc/79/65/85/708796585.db2.gz WONLLECEHLNQOV-AWEZNQCLSA-N 1 2 343.387 1.620 20 30 EDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001061088679 708966941 /nfs/dbraw/zinc/96/69/41/708966941.db2.gz CSZUHLLWEJUWDZ-LSDHHAIUSA-N 1 2 344.459 1.861 20 30 EDEDLO C#CCC[NH+]1CCC(N(C)C(=O)c2cc(Br)[nH]n2)CC1 ZINC001005455516 709056982 /nfs/dbraw/zinc/05/69/82/709056982.db2.gz VCSHWKJHUMVPDC-UHFFFAOYSA-N 1 2 339.237 1.732 20 30 EDEDLO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@H+](Cc3ccn(C)n3)C2)nc1 ZINC001034023018 709276732 /nfs/dbraw/zinc/27/67/32/709276732.db2.gz MVWDRVKWVMLKJL-KRWDZBQOSA-N 1 2 337.427 1.533 20 30 EDEDLO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)nc1 ZINC001034023018 709276737 /nfs/dbraw/zinc/27/67/37/709276737.db2.gz MVWDRVKWVMLKJL-KRWDZBQOSA-N 1 2 337.427 1.533 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1F ZINC001002782671 709388519 /nfs/dbraw/zinc/38/85/19/709388519.db2.gz NGVHSXBQJXNZCB-GDBMZVCRSA-N 1 2 346.362 1.443 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001061177871 709481266 /nfs/dbraw/zinc/48/12/66/709481266.db2.gz AQRZCNWTXCJCLC-KBPBESRZSA-N 1 2 342.447 1.051 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H](N(C)c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001061177871 709481270 /nfs/dbraw/zinc/48/12/70/709481270.db2.gz AQRZCNWTXCJCLC-KBPBESRZSA-N 1 2 342.447 1.051 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cn[nH]n3)C2)cc1F ZINC001034284660 709686558 /nfs/dbraw/zinc/68/65/58/709686558.db2.gz FJOFWDNTUKJRHI-CQSZACIVSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3cn[nH]n3)C2)cc1F ZINC001034284660 709686560 /nfs/dbraw/zinc/68/65/60/709686560.db2.gz FJOFWDNTUKJRHI-CQSZACIVSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cnn[nH]3)C2)cc1F ZINC001034284660 709686565 /nfs/dbraw/zinc/68/65/65/709686565.db2.gz FJOFWDNTUKJRHI-CQSZACIVSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3cnn[nH]3)C2)cc1F ZINC001034284660 709686568 /nfs/dbraw/zinc/68/65/68/709686568.db2.gz FJOFWDNTUKJRHI-CQSZACIVSA-N 1 2 342.378 1.600 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001034364246 709882606 /nfs/dbraw/zinc/88/26/06/709882606.db2.gz KEQAAAUBUVUPOW-QWHCGFSZSA-N 1 2 337.855 1.948 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001034364246 709882611 /nfs/dbraw/zinc/88/26/11/709882611.db2.gz KEQAAAUBUVUPOW-QWHCGFSZSA-N 1 2 337.855 1.948 20 30 EDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H](NC(=O)c3cnon3)C2)c1 ZINC001034449660 710051832 /nfs/dbraw/zinc/05/18/32/710051832.db2.gz FXJQBGHOUAFPHS-AWEZNQCLSA-N 1 2 343.362 1.865 20 30 EDEDLO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H](NC(=O)c3cnon3)C2)c1 ZINC001034449660 710051840 /nfs/dbraw/zinc/05/18/40/710051840.db2.gz FXJQBGHOUAFPHS-AWEZNQCLSA-N 1 2 343.362 1.865 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001061755453 710150041 /nfs/dbraw/zinc/15/00/41/710150041.db2.gz JXNSKHPQZLAVOO-UKRRQHHQSA-N 1 2 348.447 1.144 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001061755453 710150042 /nfs/dbraw/zinc/15/00/42/710150042.db2.gz JXNSKHPQZLAVOO-UKRRQHHQSA-N 1 2 348.447 1.144 20 30 EDEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)n[nH]1 ZINC001032937333 710868781 /nfs/dbraw/zinc/86/87/81/710868781.db2.gz UGUYKZWDOWQTPK-GFCCVEGCSA-N 1 2 329.429 1.998 20 30 EDEDLO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n[nH]1 ZINC001032937333 710868784 /nfs/dbraw/zinc/86/87/84/710868784.db2.gz UGUYKZWDOWQTPK-GFCCVEGCSA-N 1 2 329.429 1.998 20 30 EDEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1COCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001061798018 710968331 /nfs/dbraw/zinc/96/83/31/710968331.db2.gz TUFTUSPTVGTHCX-GJZGRUSLSA-N 1 2 348.447 1.207 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001032965811 711019997 /nfs/dbraw/zinc/01/99/97/711019997.db2.gz DOZIJIUKKTYZAJ-CHWSQXEVSA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001032965811 711019999 /nfs/dbraw/zinc/01/99/99/711019999.db2.gz DOZIJIUKKTYZAJ-CHWSQXEVSA-N 1 2 331.254 1.854 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032983547 711137064 /nfs/dbraw/zinc/13/70/64/711137064.db2.gz ZOACIEPGZJBHGG-SFHVURJKSA-N 1 2 340.402 1.676 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032983547 711137067 /nfs/dbraw/zinc/13/70/67/711137067.db2.gz ZOACIEPGZJBHGG-SFHVURJKSA-N 1 2 340.402 1.676 20 30 EDEDLO CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)n1 ZINC001034896237 711318622 /nfs/dbraw/zinc/31/86/22/711318622.db2.gz XWOJSYIPWYIOOD-GFCCVEGCSA-N 1 2 328.376 1.226 20 30 EDEDLO CCOc1nc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)co1 ZINC001004477293 711857446 /nfs/dbraw/zinc/85/74/46/711857446.db2.gz PKSYDFOPUCMHGR-HNNXBMFYSA-N 1 2 332.404 1.913 20 30 EDEDLO CCOc1nc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)co1 ZINC001004477293 711857450 /nfs/dbraw/zinc/85/74/50/711857450.db2.gz PKSYDFOPUCMHGR-HNNXBMFYSA-N 1 2 332.404 1.913 20 30 EDEDLO Cc1nn(C)c(C)c1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004503050 711904080 /nfs/dbraw/zinc/90/40/80/711904080.db2.gz XCZDCOVJEAZSRR-SFHVURJKSA-N 1 2 343.475 1.806 20 30 EDEDLO Cc1nn(C)c(C)c1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004503050 711904081 /nfs/dbraw/zinc/90/40/81/711904081.db2.gz XCZDCOVJEAZSRR-SFHVURJKSA-N 1 2 343.475 1.806 20 30 EDEDLO CC(=O)N1CC[C@](C)(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004596596 712037848 /nfs/dbraw/zinc/03/78/48/712037848.db2.gz NKXZIJULPMEHNM-MJGOQNOKSA-N 1 2 346.475 1.471 20 30 EDEDLO CC(=O)N1CC[C@](C)(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004596596 712037849 /nfs/dbraw/zinc/03/78/49/712037849.db2.gz NKXZIJULPMEHNM-MJGOQNOKSA-N 1 2 346.475 1.471 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3c(cn2)OCCO3)C1 ZINC001033154085 712178372 /nfs/dbraw/zinc/17/83/72/712178372.db2.gz AOVOXFZUJLFJJR-LBPRGKRZSA-N 1 2 337.807 1.752 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(cn2)OCCO3)C1 ZINC001033154085 712178376 /nfs/dbraw/zinc/17/83/76/712178376.db2.gz AOVOXFZUJLFJJR-LBPRGKRZSA-N 1 2 337.807 1.752 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)NC1CCN(C(=O)C2CC2)CC1 ZINC000328836694 539371038 /nfs/dbraw/zinc/37/10/38/539371038.db2.gz MUFKVRGUHQJVFC-UHFFFAOYSA-N 1 2 345.447 1.624 20 30 EDEDLO Cc1ncccc1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000328921801 539377606 /nfs/dbraw/zinc/37/76/06/539377606.db2.gz MHTZBNGVKSNRHH-UHFFFAOYSA-N 1 2 330.432 1.639 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000329126807 539413289 /nfs/dbraw/zinc/41/32/89/539413289.db2.gz YRBLEYDABVLFGN-UKRRQHHQSA-N 1 2 337.395 1.874 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000329126807 539413292 /nfs/dbraw/zinc/41/32/92/539413292.db2.gz YRBLEYDABVLFGN-UKRRQHHQSA-N 1 2 337.395 1.874 20 30 EDEDLO CN(CC[NH+]1CCCC1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000103117338 219256737 /nfs/dbraw/zinc/25/67/37/219256737.db2.gz OPCUVHWSLMYPMG-UHFFFAOYSA-N 1 2 349.456 1.027 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000354775387 283100287 /nfs/dbraw/zinc/10/02/87/283100287.db2.gz VHGKMMFJPJNIPB-NSHDSACASA-N 1 2 327.319 1.033 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000354775387 283100290 /nfs/dbraw/zinc/10/02/90/283100290.db2.gz VHGKMMFJPJNIPB-NSHDSACASA-N 1 2 327.319 1.033 20 30 EDEDLO CCCCN(CC)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108556 138213922 /nfs/dbraw/zinc/21/39/22/138213922.db2.gz LZJQXDHUPXISAC-UHFFFAOYSA-N 1 2 329.448 1.724 20 30 EDEDLO N#Cc1cccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000080238069 138263898 /nfs/dbraw/zinc/26/38/98/138263898.db2.gz ULIILDIRXVMQSN-UHFFFAOYSA-N 1 2 335.367 1.241 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080916151 138265098 /nfs/dbraw/zinc/26/50/98/138265098.db2.gz CMBBWIGVGQCCJX-NVXWUHKLSA-N 1 2 343.427 1.649 20 30 EDEDLO N#CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000109138262 237103213 /nfs/dbraw/zinc/10/32/13/237103213.db2.gz URFVPGXNNITBAQ-QGZVFWFLSA-N 1 2 343.427 1.324 20 30 EDEDLO N#CC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000109138262 237103223 /nfs/dbraw/zinc/10/32/23/237103223.db2.gz URFVPGXNNITBAQ-QGZVFWFLSA-N 1 2 343.427 1.324 20 30 EDEDLO Cc1nc(CC(N)=[NH+]O[C@@H]2CCCN(c3ccn(C)n3)C2=O)cs1 ZINC000174113156 237275750 /nfs/dbraw/zinc/27/57/50/237275750.db2.gz WLAHIAJNFKAYOB-GFCCVEGCSA-N 1 2 348.432 1.212 20 30 EDEDLO Cc1c[nH]c(C(C)(C)NC(=O)CNC(=O)c2ccc(C#N)cc2)[nH+]1 ZINC000565487800 306384917 /nfs/dbraw/zinc/38/49/17/306384917.db2.gz YATXWUXDMNCEMP-UHFFFAOYSA-N 1 2 325.372 1.371 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](OCCO)C2)c(C#N)c1C ZINC000246718976 139118780 /nfs/dbraw/zinc/11/87/80/139118780.db2.gz GKFRHRDHLFGCJE-GXTWGEPZSA-N 1 2 335.404 1.568 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](OCCO)C2)c(C#N)c1C ZINC000246718976 139118781 /nfs/dbraw/zinc/11/87/81/139118781.db2.gz GKFRHRDHLFGCJE-GXTWGEPZSA-N 1 2 335.404 1.568 20 30 EDEDLO C=C(C)[C@@H](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)OCC ZINC000270065279 249381942 /nfs/dbraw/zinc/38/19/42/249381942.db2.gz VVKHIHXKDCQIHM-MRXNPFEDSA-N 1 2 333.432 1.906 20 30 EDEDLO NC(=[NH+]OCC(=O)N(Cc1ccco1)CC(F)(F)F)[C@H]1CCCO1 ZINC000283756451 249580975 /nfs/dbraw/zinc/58/09/75/249580975.db2.gz AKESYXQJPINROS-LLVKDONJSA-N 1 2 349.309 1.638 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](OC)C[C@@H]1C(=O)N1CCCC1 ZINC000344567784 250018697 /nfs/dbraw/zinc/01/86/97/250018697.db2.gz MIADKKLBVHZCLI-JKSUJKDBSA-N 1 2 337.464 1.123 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](OC)C[C@@H]1C(=O)N1CCCC1 ZINC000344567784 250018699 /nfs/dbraw/zinc/01/86/99/250018699.db2.gz MIADKKLBVHZCLI-JKSUJKDBSA-N 1 2 337.464 1.123 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000351704454 250063213 /nfs/dbraw/zinc/06/32/13/250063213.db2.gz YUMIBJVQAXAYOE-UHFFFAOYSA-N 1 2 346.475 1.679 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000351704454 250063216 /nfs/dbraw/zinc/06/32/16/250063216.db2.gz YUMIBJVQAXAYOE-UHFFFAOYSA-N 1 2 346.475 1.679 20 30 EDEDLO C=C(C)CN(C)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000346831067 250046911 /nfs/dbraw/zinc/04/69/11/250046911.db2.gz LZDZOEZJCJBWHS-RHSMWYFYSA-N 1 2 345.447 1.832 20 30 EDEDLO C=CCOc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1OC ZINC000352047440 250071353 /nfs/dbraw/zinc/07/13/53/250071353.db2.gz XKTNPDVRBPJPAI-PBHICJAKSA-N 1 2 332.400 1.415 20 30 EDEDLO C=CCOc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1OC ZINC000352047440 250071356 /nfs/dbraw/zinc/07/13/56/250071356.db2.gz XKTNPDVRBPJPAI-PBHICJAKSA-N 1 2 332.400 1.415 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000352085143 250072611 /nfs/dbraw/zinc/07/26/11/250072611.db2.gz QSAKRZOAUYSVCW-XIRDDKMYSA-N 1 2 349.500 1.666 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000352085143 250072615 /nfs/dbraw/zinc/07/26/15/250072615.db2.gz QSAKRZOAUYSVCW-XIRDDKMYSA-N 1 2 349.500 1.666 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355130917 250106825 /nfs/dbraw/zinc/10/68/25/250106825.db2.gz UDONZGKIYUQDAS-UKRRQHHQSA-N 1 2 347.463 1.253 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355130917 250106827 /nfs/dbraw/zinc/10/68/27/250106827.db2.gz UDONZGKIYUQDAS-UKRRQHHQSA-N 1 2 347.463 1.253 20 30 EDEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000358361525 250132224 /nfs/dbraw/zinc/13/22/24/250132224.db2.gz WYBBVXYXELXJJR-KSSFIOAISA-N 1 2 334.464 1.422 20 30 EDEDLO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000358361525 250132229 /nfs/dbraw/zinc/13/22/29/250132229.db2.gz WYBBVXYXELXJJR-KSSFIOAISA-N 1 2 334.464 1.422 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367977641 250199089 /nfs/dbraw/zinc/19/90/89/250199089.db2.gz QVRXYGXYEYTNHG-SFHVURJKSA-N 1 2 339.483 1.696 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000373981779 250248729 /nfs/dbraw/zinc/24/87/29/250248729.db2.gz ITGHEVMZOQVGPT-RDJZCZTQSA-N 1 2 325.453 1.522 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000372923294 250229189 /nfs/dbraw/zinc/22/91/89/250229189.db2.gz CYPMZVLRBJIWMV-UHFFFAOYSA-N 1 2 348.491 1.863 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000372923294 250229192 /nfs/dbraw/zinc/22/91/92/250229192.db2.gz CYPMZVLRBJIWMV-UHFFFAOYSA-N 1 2 348.491 1.863 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CC(=O)N(Cc3ccccc3)C2=O)C1=O ZINC000374104732 250253142 /nfs/dbraw/zinc/25/31/42/250253142.db2.gz FTAHSBYKHTXBAL-HOTGVXAUSA-N 1 2 341.411 1.033 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CC(=O)N(Cc3ccccc3)C2=O)C1=O ZINC000374104732 250253147 /nfs/dbraw/zinc/25/31/47/250253147.db2.gz FTAHSBYKHTXBAL-HOTGVXAUSA-N 1 2 341.411 1.033 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377676196 250290249 /nfs/dbraw/zinc/29/02/49/250290249.db2.gz HSWOXZLEJLSDAB-XFHVWQCUSA-N 1 2 348.491 1.321 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377676196 250290256 /nfs/dbraw/zinc/29/02/56/250290256.db2.gz HSWOXZLEJLSDAB-XFHVWQCUSA-N 1 2 348.491 1.321 20 30 EDEDLO C=CCCCN(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000378148312 250297513 /nfs/dbraw/zinc/29/75/13/250297513.db2.gz HMAAJGGWZXBIBO-KRWDZBQOSA-N 1 2 325.453 1.475 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000261789931 139226306 /nfs/dbraw/zinc/22/63/06/139226306.db2.gz UXLTVHVWJHFSCT-KRWDZBQOSA-N 1 2 342.424 1.430 20 30 EDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)nn1 ZINC000424295944 252191579 /nfs/dbraw/zinc/19/15/79/252191579.db2.gz NUMNJVQHXQKRTD-ZDUSSCGKSA-N 1 2 349.460 1.579 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000374024989 285040115 /nfs/dbraw/zinc/04/01/15/285040115.db2.gz HIOVTOVHKWDHSJ-CVYDXHPNSA-N 1 2 337.464 1.653 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000374024989 285040117 /nfs/dbraw/zinc/04/01/17/285040117.db2.gz HIOVTOVHKWDHSJ-CVYDXHPNSA-N 1 2 337.464 1.653 20 30 EDEDLO COCCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000189647280 533169512 /nfs/dbraw/zinc/16/95/12/533169512.db2.gz JIXXUMXCDSXNGN-CQSZACIVSA-N 1 2 337.807 1.887 20 30 EDEDLO COCCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000189647280 533169520 /nfs/dbraw/zinc/16/95/20/533169520.db2.gz JIXXUMXCDSXNGN-CQSZACIVSA-N 1 2 337.807 1.887 20 30 EDEDLO C#CCN(C(=O)c1ccc2[nH+]c(C)n(C)c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000490720740 255102867 /nfs/dbraw/zinc/10/28/67/255102867.db2.gz SVZZHMMIKSYFCT-AWEZNQCLSA-N 1 2 345.424 1.144 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C(=O)OCC)cc2)CC1 ZINC000490799807 255107460 /nfs/dbraw/zinc/10/74/60/255107460.db2.gz JVRNFGSCEQLEIP-UHFFFAOYSA-N 1 2 330.384 1.020 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(F)ccc(C)c2F)CC1 ZINC000490877919 255107927 /nfs/dbraw/zinc/10/79/27/255107927.db2.gz ZTRUZYNEYOVWLI-UHFFFAOYSA-N 1 2 349.381 1.171 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(F)ccc(C)c2F)CC1 ZINC000490877919 255107929 /nfs/dbraw/zinc/10/79/29/255107929.db2.gz ZTRUZYNEYOVWLI-UHFFFAOYSA-N 1 2 349.381 1.171 20 30 EDEDLO C#CCNC(=O)c1cccc(-c2noc([C@H]3C[N@H+](C)CCO3)n2)c1 ZINC000491639584 255136317 /nfs/dbraw/zinc/13/63/17/255136317.db2.gz ZPLSLRLGTPWTNC-CQSZACIVSA-N 1 2 326.356 1.103 20 30 EDEDLO C#CCNC(=O)c1cccc(-c2noc([C@H]3C[N@@H+](C)CCO3)n2)c1 ZINC000491639584 255136319 /nfs/dbraw/zinc/13/63/19/255136319.db2.gz ZPLSLRLGTPWTNC-CQSZACIVSA-N 1 2 326.356 1.103 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2nc3cccc(F)c3s2)CC1 ZINC000491775364 255146896 /nfs/dbraw/zinc/14/68/96/255146896.db2.gz BKIUACFZFALYNR-UHFFFAOYSA-N 1 2 332.404 1.307 20 30 EDEDLO C#CCCCCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000494591079 255254979 /nfs/dbraw/zinc/25/49/79/255254979.db2.gz ULIICFQHLAYLEN-OAHLLOKOSA-N 1 2 337.464 1.847 20 30 EDEDLO C#CCCCCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000494591079 255254980 /nfs/dbraw/zinc/25/49/80/255254980.db2.gz ULIICFQHLAYLEN-OAHLLOKOSA-N 1 2 337.464 1.847 20 30 EDEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000118393504 221146604 /nfs/dbraw/zinc/14/66/04/221146604.db2.gz KGSNNYIHYICOPN-HNNXBMFYSA-N 1 2 340.427 1.386 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000270168857 140054444 /nfs/dbraw/zinc/05/44/44/140054444.db2.gz WDOZLWWVMAKBJZ-QGZVFWFLSA-N 1 2 349.438 1.731 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000270949233 140205708 /nfs/dbraw/zinc/20/57/08/140205708.db2.gz SOGGYXWJGADFBB-JSGCOSHPSA-N 1 2 344.415 1.792 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000270949233 140205710 /nfs/dbraw/zinc/20/57/10/140205710.db2.gz SOGGYXWJGADFBB-JSGCOSHPSA-N 1 2 344.415 1.792 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCCOCC3)CC2)cc1 ZINC000271890636 140367587 /nfs/dbraw/zinc/36/75/87/140367587.db2.gz CQMUYXJGNCRRIQ-SFHVURJKSA-N 1 2 342.443 1.955 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000331795390 141081742 /nfs/dbraw/zinc/08/17/42/141081742.db2.gz PEQVMTOJPSBRKM-AWEZNQCLSA-N 1 2 330.413 1.919 20 30 EDEDLO C[C@@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC(=O)N1 ZINC000332094826 141121983 /nfs/dbraw/zinc/12/19/83/141121983.db2.gz BNMCHMNIZWAALR-RHSMWYFYSA-N 1 2 340.427 1.117 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000339956324 142212202 /nfs/dbraw/zinc/21/22/02/142212202.db2.gz WSGRUSGOYOCLMC-JTQLQIEISA-N 1 2 342.321 1.423 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000339956324 142212204 /nfs/dbraw/zinc/21/22/04/142212204.db2.gz WSGRUSGOYOCLMC-JTQLQIEISA-N 1 2 342.321 1.423 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000351498872 143573368 /nfs/dbraw/zinc/57/33/68/143573368.db2.gz WKMVAXBNYLQWOX-JKSUJKDBSA-N 1 2 341.390 1.634 20 30 EDEDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cccc(C#N)c2F)CC1 ZINC000352762775 149154816 /nfs/dbraw/zinc/15/48/16/149154816.db2.gz XPMJIDBBGRWMAT-UHFFFAOYSA-N 1 2 340.424 1.011 20 30 EDEDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC000352762775 149154819 /nfs/dbraw/zinc/15/48/19/149154819.db2.gz XPMJIDBBGRWMAT-UHFFFAOYSA-N 1 2 340.424 1.011 20 30 EDEDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000369973064 155259980 /nfs/dbraw/zinc/25/99/80/155259980.db2.gz JFVOJCOEHAIXBU-HZPDHXFCSA-N 1 2 345.399 1.539 20 30 EDEDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000369973064 155259983 /nfs/dbraw/zinc/25/99/83/155259983.db2.gz JFVOJCOEHAIXBU-HZPDHXFCSA-N 1 2 345.399 1.539 20 30 EDEDLO Cn1ncc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1C#N ZINC000354983242 150065299 /nfs/dbraw/zinc/06/52/99/150065299.db2.gz SPWFVGQCTOKSHU-UHFFFAOYSA-N 1 2 336.355 1.820 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CC(=O)NC3CCCCCC3)CC2)n1 ZINC000355112636 150121347 /nfs/dbraw/zinc/12/13/47/150121347.db2.gz YYPPVAXYNYIZAR-UHFFFAOYSA-N 1 2 341.459 1.914 20 30 EDEDLO N#Cc1ccc(C(=O)CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000356217768 150556017 /nfs/dbraw/zinc/55/60/17/150556017.db2.gz CMRZJFOAMFEZIE-UHFFFAOYSA-N 1 2 331.335 1.752 20 30 EDEDLO CC(C)(C)NC(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000361151401 152321525 /nfs/dbraw/zinc/32/15/25/152321525.db2.gz DRQUWTJWTLCSSK-UHFFFAOYSA-N 1 2 340.431 1.832 20 30 EDEDLO CC[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@@]2(CCOC2)O1 ZINC000370200992 155375120 /nfs/dbraw/zinc/37/51/20/155375120.db2.gz FYXFWFBQJQPSAB-FUHWJXTLSA-N 1 2 326.400 1.976 20 30 EDEDLO CC[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@@]2(CCOC2)O1 ZINC000370200992 155375121 /nfs/dbraw/zinc/37/51/21/155375121.db2.gz FYXFWFBQJQPSAB-FUHWJXTLSA-N 1 2 326.400 1.976 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000367950433 154341319 /nfs/dbraw/zinc/34/13/19/154341319.db2.gz FPJIXHUSMQWTGF-MRXNPFEDSA-N 1 2 330.413 1.922 20 30 EDEDLO Cn1cc(C[N@@H+]2CCSC[C@@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1 ZINC000371704152 156069226 /nfs/dbraw/zinc/06/92/26/156069226.db2.gz SUPVWCVAOXHKTC-OAHLLOKOSA-N 1 2 341.440 1.361 20 30 EDEDLO Cn1cc(C[N@H+]2CCSC[C@@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1 ZINC000371704152 156069230 /nfs/dbraw/zinc/06/92/30/156069230.db2.gz SUPVWCVAOXHKTC-OAHLLOKOSA-N 1 2 341.440 1.361 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000371974056 156191433 /nfs/dbraw/zinc/19/14/33/156191433.db2.gz RUUBTIKDTCJOFN-SJORKVTESA-N 1 2 329.400 1.054 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1 ZINC000371974056 156191436 /nfs/dbraw/zinc/19/14/36/156191436.db2.gz RUUBTIKDTCJOFN-SJORKVTESA-N 1 2 329.400 1.054 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000372207753 156270185 /nfs/dbraw/zinc/27/01/85/156270185.db2.gz YBUCZYBHGDZFQB-UHFFFAOYSA-N 1 2 335.429 1.830 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000372207753 156270189 /nfs/dbraw/zinc/27/01/89/156270189.db2.gz YBUCZYBHGDZFQB-UHFFFAOYSA-N 1 2 335.429 1.830 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373899694 157055237 /nfs/dbraw/zinc/05/52/37/157055237.db2.gz LINIMHWHKVOBJJ-OAHLLOKOSA-N 1 2 330.432 1.700 20 30 EDEDLO COC(=O)[C@H]1CCCCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000378570733 158211539 /nfs/dbraw/zinc/21/15/39/158211539.db2.gz OPZFVMBIKVYMIS-MRXNPFEDSA-N 1 2 329.400 1.592 20 30 EDEDLO COC(=O)[C@H]1CCCCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000378570733 158211541 /nfs/dbraw/zinc/21/15/41/158211541.db2.gz OPZFVMBIKVYMIS-MRXNPFEDSA-N 1 2 329.400 1.592 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(C#N)c1C ZINC000364954975 162345786 /nfs/dbraw/zinc/34/57/86/162345786.db2.gz MLPJWHSPJPEKJN-ZOWXZIJZSA-N 1 2 346.456 1.761 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(C#N)c1C ZINC000364954975 162345790 /nfs/dbraw/zinc/34/57/90/162345790.db2.gz MLPJWHSPJPEKJN-ZOWXZIJZSA-N 1 2 346.456 1.761 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111292564 287336651 /nfs/dbraw/zinc/33/66/51/287336651.db2.gz CFJBWUPJZVBGAA-YOEHRIQHSA-N 1 2 340.427 1.972 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111292564 287336652 /nfs/dbraw/zinc/33/66/52/287336652.db2.gz CFJBWUPJZVBGAA-YOEHRIQHSA-N 1 2 340.427 1.972 20 30 EDEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C[N@@H+]1C1CC1 ZINC000124005239 222363085 /nfs/dbraw/zinc/36/30/85/222363085.db2.gz VPZCFMSWFONAGO-KOLCDFICSA-N 1 2 341.383 1.740 20 30 EDEDLO C[C@@H]1C[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C[N@H+]1C1CC1 ZINC000124005239 222363089 /nfs/dbraw/zinc/36/30/89/222363089.db2.gz VPZCFMSWFONAGO-KOLCDFICSA-N 1 2 341.383 1.740 20 30 EDEDLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000088546156 264281050 /nfs/dbraw/zinc/28/10/50/264281050.db2.gz OPVYXDWCEGAJHU-KRWDZBQOSA-N 1 2 344.371 1.666 20 30 EDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000491658191 270014722 /nfs/dbraw/zinc/01/47/22/270014722.db2.gz JQRRCWLMHRQABS-GFCCVEGCSA-N 1 2 329.425 1.771 20 30 EDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000491658191 270014723 /nfs/dbraw/zinc/01/47/23/270014723.db2.gz JQRRCWLMHRQABS-GFCCVEGCSA-N 1 2 329.425 1.771 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284528960 266332910 /nfs/dbraw/zinc/33/29/10/266332910.db2.gz FJGPKLXBUJMZFU-NVXWUHKLSA-N 1 2 344.415 1.894 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284528960 266332911 /nfs/dbraw/zinc/33/29/11/266332911.db2.gz FJGPKLXBUJMZFU-NVXWUHKLSA-N 1 2 344.415 1.894 20 30 EDEDLO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289426246 266987501 /nfs/dbraw/zinc/98/75/01/266987501.db2.gz NENIUXWRGUPZGP-UKRRQHHQSA-N 1 2 337.445 1.352 20 30 EDEDLO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289426246 266987503 /nfs/dbraw/zinc/98/75/03/266987503.db2.gz NENIUXWRGUPZGP-UKRRQHHQSA-N 1 2 337.445 1.352 20 30 EDEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)nn3)CC2)C1 ZINC000301958477 267017805 /nfs/dbraw/zinc/01/78/05/267017805.db2.gz GMFXIIQGOSIOAV-CABCVRRESA-N 1 2 342.447 1.165 20 30 EDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cc(C#N)c2ccccc2n1 ZINC000433784041 267307364 /nfs/dbraw/zinc/30/73/64/267307364.db2.gz UFCNIWCCQGEICU-HNNXBMFYSA-N 1 2 326.400 1.236 20 30 EDEDLO COC(=O)N1CCN(c2ccc(Nc3ccncc3C#N)c[nH+]2)CC1 ZINC000495651697 267378098 /nfs/dbraw/zinc/37/80/98/267378098.db2.gz MZADOPSZXOFZEW-UHFFFAOYSA-N 1 2 338.371 1.402 20 30 EDEDLO N#Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)nc2ccc(Cl)cc12 ZINC000301709998 268012982 /nfs/dbraw/zinc/01/29/82/268012982.db2.gz DFTRCYJBZVHZPO-AWEZNQCLSA-N 1 2 346.818 1.865 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC(F)(F)[C@@H](CO)C3)C2=O)cc1 ZINC000291690538 268126498 /nfs/dbraw/zinc/12/64/98/268126498.db2.gz HLHFHQSAKLGVHB-HIFRSBDPSA-N 1 2 335.354 1.613 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC(F)(F)[C@@H](CO)C3)C2=O)cc1 ZINC000291690538 268126501 /nfs/dbraw/zinc/12/65/01/268126501.db2.gz HLHFHQSAKLGVHB-HIFRSBDPSA-N 1 2 335.354 1.613 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000440990500 268237602 /nfs/dbraw/zinc/23/76/02/268237602.db2.gz MYDAFRBMTBXJTP-CYBMUJFWSA-N 1 2 341.346 1.524 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2nc(CO)cs2)c1 ZINC000517144501 268286014 /nfs/dbraw/zinc/28/60/14/268286014.db2.gz DSRDZNJIMFGBTC-UHFFFAOYSA-N 1 2 337.426 1.071 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000528452716 268301194 /nfs/dbraw/zinc/30/11/94/268301194.db2.gz MRGXOVVTWQZAJJ-BRWVUGGUSA-N 1 2 344.411 1.368 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000528452716 268301197 /nfs/dbraw/zinc/30/11/97/268301197.db2.gz MRGXOVVTWQZAJJ-BRWVUGGUSA-N 1 2 344.411 1.368 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000425794877 447306045 /nfs/dbraw/zinc/30/60/45/447306045.db2.gz DKIXWJZMTAJXOV-JSGCOSHPSA-N 1 2 328.372 1.289 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(C#N)c1C ZINC000352074406 294038758 /nfs/dbraw/zinc/03/87/58/294038758.db2.gz MWYCTFWUZPEUHA-CQDKDKBSSA-N 1 2 332.404 1.110 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C#N)c1C ZINC000352074406 294038763 /nfs/dbraw/zinc/03/87/63/294038763.db2.gz MWYCTFWUZPEUHA-CQDKDKBSSA-N 1 2 332.404 1.110 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(C#N)c(C)n1)C2 ZINC000552147429 306176079 /nfs/dbraw/zinc/17/60/79/306176079.db2.gz DHGGJEXUYIPJPH-CQSZACIVSA-N 1 2 339.399 1.046 20 30 EDEDLO N#Cc1ncc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1Cl ZINC000556666775 306213040 /nfs/dbraw/zinc/21/30/40/306213040.db2.gz PNGIVSIFWAHAAE-UHFFFAOYSA-N 1 2 345.794 1.679 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000378272880 447411900 /nfs/dbraw/zinc/41/19/00/447411900.db2.gz ZDVBMONIRHFXMZ-AWEZNQCLSA-N 1 2 337.383 1.441 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NCC(F)(F)F)CC2)cc1 ZINC000045314025 440972545 /nfs/dbraw/zinc/97/25/45/440972545.db2.gz UXDKBDRZSWHDBP-UHFFFAOYSA-N 1 2 340.349 1.354 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000046230390 441093868 /nfs/dbraw/zinc/09/38/68/441093868.db2.gz WUIKTONHCMPDTP-UHFFFAOYSA-N 1 2 328.397 1.464 20 30 EDEDLO COc1cc(OC)c(OC)cc1CNC(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906405 441142632 /nfs/dbraw/zinc/14/26/32/441142632.db2.gz XELWXYFGUXSWQS-UHFFFAOYSA-N 1 2 347.415 1.564 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000048021315 441251797 /nfs/dbraw/zinc/25/17/97/441251797.db2.gz ATQPLRGXWVXTEL-CQSZACIVSA-N 1 2 347.846 1.165 20 30 EDEDLO N#Cc1ccccc1CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000022802652 441286176 /nfs/dbraw/zinc/28/61/76/441286176.db2.gz FOIMNMUKDXQFRS-UHFFFAOYSA-N 1 2 348.450 1.992 20 30 EDEDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108372 441294172 /nfs/dbraw/zinc/29/41/72/441294172.db2.gz VICVLRHBRRKBDN-OAHLLOKOSA-N 1 2 341.459 1.913 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000106031463 441323752 /nfs/dbraw/zinc/32/37/52/441323752.db2.gz GQIRUOLCCLWSMT-UHFFFAOYSA-N 1 2 337.427 1.569 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(Br)cc2)CC1 ZINC000073640839 441336720 /nfs/dbraw/zinc/33/67/20/441336720.db2.gz LKOACHMHTCWEDJ-UHFFFAOYSA-N 1 2 336.233 1.638 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000024239749 441307286 /nfs/dbraw/zinc/30/72/86/441307286.db2.gz FXPCMEDWWJKUAZ-ZDUSSCGKSA-N 1 2 334.395 1.348 20 30 EDEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC000084015602 441381307 /nfs/dbraw/zinc/38/13/07/441381307.db2.gz FAKLYJSEYNDIBD-UHFFFAOYSA-N 1 2 343.408 1.749 20 30 EDEDLO CC[N@@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)C[C@H](C)C#N ZINC000064248718 441368621 /nfs/dbraw/zinc/36/86/21/441368621.db2.gz QUNLZEXGISZVDN-OAHLLOKOSA-N 1 2 330.432 1.372 20 30 EDEDLO CC[N@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)C[C@H](C)C#N ZINC000064248718 441368625 /nfs/dbraw/zinc/36/86/25/441368625.db2.gz QUNLZEXGISZVDN-OAHLLOKOSA-N 1 2 330.432 1.372 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000074290998 441418523 /nfs/dbraw/zinc/41/85/23/441418523.db2.gz DIDFCRKOZOCHPJ-UHFFFAOYSA-N 1 2 342.428 1.561 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000074290998 441418526 /nfs/dbraw/zinc/41/85/26/441418526.db2.gz DIDFCRKOZOCHPJ-UHFFFAOYSA-N 1 2 342.428 1.561 20 30 EDEDLO CC(C)(CNC(=O)CSc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000065829940 441487929 /nfs/dbraw/zinc/48/79/29/441487929.db2.gz SIYDJOHIBGQPHW-UHFFFAOYSA-N 1 2 333.457 1.877 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000066315307 441519302 /nfs/dbraw/zinc/51/93/02/441519302.db2.gz DBKMPISGRSEQHZ-OAHLLOKOSA-N 1 2 345.443 1.411 20 30 EDEDLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437627 441531651 /nfs/dbraw/zinc/53/16/51/441531651.db2.gz QKFVHONGJDSPAN-HNNXBMFYSA-N 1 2 329.448 1.626 20 30 EDEDLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437627 441531657 /nfs/dbraw/zinc/53/16/57/441531657.db2.gz QKFVHONGJDSPAN-HNNXBMFYSA-N 1 2 329.448 1.626 20 30 EDEDLO Cc1noc(C2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)n1 ZINC000053641134 441534151 /nfs/dbraw/zinc/53/41/51/441534151.db2.gz WRGCRZHWWSDEAW-UHFFFAOYSA-N 1 2 331.420 1.900 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000054292927 441569819 /nfs/dbraw/zinc/56/98/19/441569819.db2.gz IYFPDPWSVQZEBG-INIZCTEOSA-N 1 2 333.476 1.629 20 30 EDEDLO N#Cc1cccc(NC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000041245247 441640235 /nfs/dbraw/zinc/64/02/35/441640235.db2.gz MZSJQZMBJWPWFI-UHFFFAOYSA-N 1 2 333.351 1.503 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000076427751 441644693 /nfs/dbraw/zinc/64/46/93/441644693.db2.gz HDMQYFOKATXVEV-OAHLLOKOSA-N 1 2 332.423 1.956 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(NC(N)=O)CC2)c1C#N ZINC000091071965 441656866 /nfs/dbraw/zinc/65/68/66/441656866.db2.gz BXJSMBAFZWNUNV-UHFFFAOYSA-N 1 2 338.415 1.685 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000077372877 441765467 /nfs/dbraw/zinc/76/54/67/441765467.db2.gz OJKHWBPDKWNQAA-UHFFFAOYSA-N 1 2 342.424 1.773 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000077373314 441766346 /nfs/dbraw/zinc/76/63/46/441766346.db2.gz OOQKCWDCVDKOJM-UHFFFAOYSA-N 1 2 326.381 1.993 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCCO3)CC2)cc1 ZINC000139570153 441819898 /nfs/dbraw/zinc/81/98/98/441819898.db2.gz ANEPZAMVRIERLF-SFHVURJKSA-N 1 2 342.443 1.955 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2ccsc2)CC1 ZINC000159070286 441785392 /nfs/dbraw/zinc/78/53/92/441785392.db2.gz LEFVDDMXKIESIM-CQSZACIVSA-N 1 2 333.457 1.135 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2ccsc2)CC1 ZINC000159070286 441785397 /nfs/dbraw/zinc/78/53/97/441785397.db2.gz LEFVDDMXKIESIM-CQSZACIVSA-N 1 2 333.457 1.135 20 30 EDEDLO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361461 441794101 /nfs/dbraw/zinc/79/41/01/441794101.db2.gz DODPDTRJNMVUMJ-CQSZACIVSA-N 1 2 325.430 1.879 20 30 EDEDLO C=CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361461 441794108 /nfs/dbraw/zinc/79/41/08/441794108.db2.gz DODPDTRJNMVUMJ-CQSZACIVSA-N 1 2 325.430 1.879 20 30 EDEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000143579095 441874486 /nfs/dbraw/zinc/87/44/86/441874486.db2.gz ZSPPVZULOXHMDJ-UHFFFAOYSA-N 1 2 346.427 1.695 20 30 EDEDLO Cc1cccc2[nH+]c(CNS(=O)(=O)c3cccc(C#N)c3)cn21 ZINC000068944146 441873730 /nfs/dbraw/zinc/87/37/30/441873730.db2.gz SOEMUGIGYMQMRP-UHFFFAOYSA-N 1 2 326.381 1.993 20 30 EDEDLO C=CCCC[NH+]1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000117884164 441881321 /nfs/dbraw/zinc/88/13/21/441881321.db2.gz AEBJUKOBACLZIF-UHFFFAOYSA-N 1 2 336.457 1.814 20 30 EDEDLO N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(CC(F)F)CC2)cc1 ZINC000145678354 441891815 /nfs/dbraw/zinc/89/18/15/441891815.db2.gz KHOLEOFIWXMANB-HNNXBMFYSA-N 1 2 339.386 1.375 20 30 EDEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000161008492 441946533 /nfs/dbraw/zinc/94/65/33/441946533.db2.gz KLTCBRUWMHBAIZ-IBGZPJMESA-N 1 2 342.439 1.912 20 30 EDEDLO CCc1ccc(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000078681406 441962346 /nfs/dbraw/zinc/96/23/46/441962346.db2.gz SWDKCOKJXIMWNX-UHFFFAOYSA-N 1 2 344.459 1.735 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000124881778 441963182 /nfs/dbraw/zinc/96/31/82/441963182.db2.gz GPAIZMGKYSKILU-UHFFFAOYSA-N 1 2 349.456 1.071 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000378577814 447444706 /nfs/dbraw/zinc/44/47/06/447444706.db2.gz KLKWBANKBQYVSW-HZPDHXFCSA-N 1 2 325.453 1.937 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000378577814 447444712 /nfs/dbraw/zinc/44/47/12/447444712.db2.gz KLKWBANKBQYVSW-HZPDHXFCSA-N 1 2 325.453 1.937 20 30 EDEDLO CC(C)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1=O ZINC000175150930 442010606 /nfs/dbraw/zinc/01/06/06/442010606.db2.gz VFZDQKKPYXLHJK-QGZVFWFLSA-N 1 2 330.407 1.829 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000151131422 442011166 /nfs/dbraw/zinc/01/11/66/442011166.db2.gz GQFLLYPADLVQCJ-AWEZNQCLSA-N 1 2 330.369 1.190 20 30 EDEDLO N#Cc1c[nH]c(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000175278201 442031688 /nfs/dbraw/zinc/03/16/88/442031688.db2.gz BYUYVPCIUNMPBE-UHFFFAOYSA-N 1 2 341.390 1.577 20 30 EDEDLO Cc1nn(C)c(C)c1CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000162502945 442098642 /nfs/dbraw/zinc/09/86/42/442098642.db2.gz XHMJJPGLZXPUBA-UHFFFAOYSA-N 1 2 347.463 1.044 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000121262200 442197011 /nfs/dbraw/zinc/19/70/11/442197011.db2.gz XDSZUDBTASAUOK-INIZCTEOSA-N 1 2 349.456 1.567 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000121262200 442197017 /nfs/dbraw/zinc/19/70/17/442197017.db2.gz XDSZUDBTASAUOK-INIZCTEOSA-N 1 2 349.456 1.567 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC000127023284 442163537 /nfs/dbraw/zinc/16/35/37/442163537.db2.gz HHLQIXALZZKYOZ-CYBMUJFWSA-N 1 2 335.473 1.862 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC000127023284 442163541 /nfs/dbraw/zinc/16/35/41/442163541.db2.gz HHLQIXALZZKYOZ-CYBMUJFWSA-N 1 2 335.473 1.862 20 30 EDEDLO Cc1noc(C2CC2)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000129543440 442321613 /nfs/dbraw/zinc/32/16/13/442321613.db2.gz ROPMOYVSYWQGHR-UHFFFAOYSA-N 1 2 347.419 1.940 20 30 EDEDLO C=CCCS(=O)(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000130610054 442351663 /nfs/dbraw/zinc/35/16/63/442351663.db2.gz UTYNJCBMLHOGHI-INIZCTEOSA-N 1 2 337.489 1.693 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000132886505 442401885 /nfs/dbraw/zinc/40/18/85/442401885.db2.gz DHMXJZXHBKUSEB-HUUCEWRRSA-N 1 2 344.415 1.684 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000132886505 442401888 /nfs/dbraw/zinc/40/18/88/442401888.db2.gz DHMXJZXHBKUSEB-HUUCEWRRSA-N 1 2 344.415 1.684 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171614475 442363015 /nfs/dbraw/zinc/36/30/15/442363015.db2.gz ADPKGFXFHSWBEO-GFCCVEGCSA-N 1 2 326.400 1.926 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171614475 442363019 /nfs/dbraw/zinc/36/30/19/442363019.db2.gz ADPKGFXFHSWBEO-GFCCVEGCSA-N 1 2 326.400 1.926 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCOCC(F)(F)F ZINC000155715171 442421607 /nfs/dbraw/zinc/42/16/07/442421607.db2.gz NOPJKOIHZKGNMX-LLVKDONJSA-N 1 2 329.326 1.438 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCOCC(F)(F)F ZINC000155715171 442421612 /nfs/dbraw/zinc/42/16/12/442421612.db2.gz NOPJKOIHZKGNMX-LLVKDONJSA-N 1 2 329.326 1.438 20 30 EDEDLO CN(C)C(=O)CN1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000156072607 442445804 /nfs/dbraw/zinc/44/58/04/442445804.db2.gz XHSRWCYNXOQJAB-UHFFFAOYSA-N 1 2 333.863 1.787 20 30 EDEDLO CN(C)C(=O)CN1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000156072607 442445806 /nfs/dbraw/zinc/44/58/06/442445806.db2.gz XHSRWCYNXOQJAB-UHFFFAOYSA-N 1 2 333.863 1.787 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186079759 442458746 /nfs/dbraw/zinc/45/87/46/442458746.db2.gz OWJGWGAAMYOEIN-INIZCTEOSA-N 1 2 331.416 1.332 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186079759 442458751 /nfs/dbraw/zinc/45/87/51/442458751.db2.gz OWJGWGAAMYOEIN-INIZCTEOSA-N 1 2 331.416 1.332 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000180072671 442536185 /nfs/dbraw/zinc/53/61/85/442536185.db2.gz ZIVWTSJBEJEWQJ-INIZCTEOSA-N 1 2 340.383 1.333 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000180072671 442536187 /nfs/dbraw/zinc/53/61/87/442536187.db2.gz ZIVWTSJBEJEWQJ-INIZCTEOSA-N 1 2 340.383 1.333 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H](O)C(=O)OC)CC2)c1C ZINC000135339604 442582004 /nfs/dbraw/zinc/58/20/04/442582004.db2.gz LPQJJFIASIYNNM-SFHVURJKSA-N 1 2 348.443 1.720 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCO[C@H](COC)C1 ZINC000172886777 442563013 /nfs/dbraw/zinc/56/30/13/442563013.db2.gz YGRBKEUGMBQBEN-GJZGRUSLSA-N 1 2 338.473 1.998 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCO[C@H](COC)C1 ZINC000172886777 442563019 /nfs/dbraw/zinc/56/30/19/442563019.db2.gz YGRBKEUGMBQBEN-GJZGRUSLSA-N 1 2 338.473 1.998 20 30 EDEDLO COc1ccc(C[NH+]2CCN(Cc3noc(C)n3)CC2)cc1C#N ZINC000135190157 442567151 /nfs/dbraw/zinc/56/71/51/442567151.db2.gz QWVQHKYSWALGFJ-UHFFFAOYSA-N 1 2 327.388 1.576 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000192220213 442616232 /nfs/dbraw/zinc/61/62/32/442616232.db2.gz NBLMTSIIXGRGET-UHFFFAOYSA-N 1 2 337.445 1.221 20 30 EDEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000192220213 442616237 /nfs/dbraw/zinc/61/62/37/442616237.db2.gz NBLMTSIIXGRGET-UHFFFAOYSA-N 1 2 337.445 1.221 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nnc(C2CC2)n1C1CC1 ZINC000181409175 442695340 /nfs/dbraw/zinc/69/53/40/442695340.db2.gz WXZLEFUTDZJUBI-UHFFFAOYSA-N 1 2 344.463 1.538 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000181419853 442695982 /nfs/dbraw/zinc/69/59/82/442695982.db2.gz NBMWGNUVNQMIJQ-MRXNPFEDSA-N 1 2 336.480 1.681 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C#N)C1 ZINC000193448641 442743405 /nfs/dbraw/zinc/74/34/05/442743405.db2.gz NRZBGHWYJYWGQN-ZDUSSCGKSA-N 1 2 333.392 1.314 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C#N)C1 ZINC000193448641 442743406 /nfs/dbraw/zinc/74/34/06/442743406.db2.gz NRZBGHWYJYWGQN-ZDUSSCGKSA-N 1 2 333.392 1.314 20 30 EDEDLO Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)C#N)[NH+]2CCOCC2)cc1 ZINC000182595161 442792832 /nfs/dbraw/zinc/79/28/32/442792832.db2.gz RNTAZOUQDCWGLE-DOTOQJQBSA-N 1 2 330.432 1.827 20 30 EDEDLO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000246577234 442794406 /nfs/dbraw/zinc/79/44/06/442794406.db2.gz XXINVHXNYUOBGW-IRXDYDNUSA-N 1 2 334.441 1.726 20 30 EDEDLO N#Cc1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000246577234 442794410 /nfs/dbraw/zinc/79/44/10/442794410.db2.gz XXINVHXNYUOBGW-IRXDYDNUSA-N 1 2 334.441 1.726 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193773667 442784025 /nfs/dbraw/zinc/78/40/25/442784025.db2.gz UZKURFWCKQCXIC-WBVHZDCISA-N 1 2 341.459 1.770 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCCC4(C3)OCCO4)C2=O)cc1 ZINC000182913356 442846561 /nfs/dbraw/zinc/84/65/61/442846561.db2.gz AEWDCSRFRUJKJN-QGZVFWFLSA-N 1 2 341.411 1.893 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCCC4(C3)OCCO4)C2=O)cc1 ZINC000182913356 442846564 /nfs/dbraw/zinc/84/65/64/442846564.db2.gz AEWDCSRFRUJKJN-QGZVFWFLSA-N 1 2 341.411 1.893 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)cc1 ZINC000265669036 442872593 /nfs/dbraw/zinc/87/25/93/442872593.db2.gz WGZXFBTUFMZIEK-NVXWUHKLSA-N 1 2 342.443 1.793 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)cc1 ZINC000265669036 442872596 /nfs/dbraw/zinc/87/25/96/442872596.db2.gz WGZXFBTUFMZIEK-NVXWUHKLSA-N 1 2 342.443 1.793 20 30 EDEDLO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)no1 ZINC000610988059 450398645 /nfs/dbraw/zinc/39/86/45/450398645.db2.gz NQQCGNMEPRBHDN-CQSZACIVSA-N 1 2 330.388 1.709 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000184834107 443084155 /nfs/dbraw/zinc/08/41/55/443084155.db2.gz YUVUMAPIKXGLKO-CQSZACIVSA-N 1 2 328.420 1.738 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)c(C#N)c1C ZINC000185098417 443135473 /nfs/dbraw/zinc/13/54/73/443135473.db2.gz MGEMKJUAVTUSHZ-BTKVJGODSA-N 1 2 327.475 1.874 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)c(C#N)c1C ZINC000185098417 443135478 /nfs/dbraw/zinc/13/54/78/443135478.db2.gz MGEMKJUAVTUSHZ-BTKVJGODSA-N 1 2 327.475 1.874 20 30 EDEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000185385001 443192683 /nfs/dbraw/zinc/19/26/83/443192683.db2.gz YVXKDSYALSRTTM-GFCCVEGCSA-N 1 2 330.417 1.117 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@]3(C2)NC(=O)N(C)C3=O)c1C ZINC000264199592 443254519 /nfs/dbraw/zinc/25/45/19/443254519.db2.gz IGCKYGBFLOSHMR-SFHVURJKSA-N 1 2 344.415 1.100 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@]3(C2)NC(=O)N(C)C3=O)c1C ZINC000264199592 443254523 /nfs/dbraw/zinc/25/45/23/443254523.db2.gz IGCKYGBFLOSHMR-SFHVURJKSA-N 1 2 344.415 1.100 20 30 EDEDLO N#Cc1cc(C(F)(F)F)ccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000269355241 443291222 /nfs/dbraw/zinc/29/12/22/443291222.db2.gz LALBBMVILPULSC-ZDUSSCGKSA-N 1 2 329.322 1.682 20 30 EDEDLO CC1(C#N)CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000272456746 443325543 /nfs/dbraw/zinc/32/55/43/443325543.db2.gz UIQAEJTWUDIWLC-UHFFFAOYSA-N 1 2 343.431 1.753 20 30 EDEDLO C=CC[N@@H+](C[C@@H](O)c1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000264576464 443333190 /nfs/dbraw/zinc/33/31/90/443333190.db2.gz UGWQYTUNUCURGK-SWLSCSKDSA-N 1 2 331.384 1.673 20 30 EDEDLO C=CC[N@H+](C[C@@H](O)c1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000264576464 443333195 /nfs/dbraw/zinc/33/31/95/443333195.db2.gz UGWQYTUNUCURGK-SWLSCSKDSA-N 1 2 331.384 1.673 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NCC(F)(F)F)c1 ZINC000269517141 443333557 /nfs/dbraw/zinc/33/35/57/443333557.db2.gz PIWCTEPXZJOALW-NSHDSACASA-N 1 2 341.333 1.605 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)NCC(F)(F)F)c1 ZINC000269517141 443333561 /nfs/dbraw/zinc/33/35/61/443333561.db2.gz PIWCTEPXZJOALW-NSHDSACASA-N 1 2 341.333 1.605 20 30 EDEDLO CC1(C#N)CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 ZINC000272546808 443359385 /nfs/dbraw/zinc/35/93/85/443359385.db2.gz KFTWZJIVSVLYDB-UHFFFAOYSA-N 1 2 346.456 1.900 20 30 EDEDLO CCOC(=O)CN(C)C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000264734014 443397555 /nfs/dbraw/zinc/39/75/55/443397555.db2.gz RSVKEGAEKHBSFM-UHFFFAOYSA-N 1 2 347.415 1.028 20 30 EDEDLO CCOC(=O)CN(C)C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000264734014 443397556 /nfs/dbraw/zinc/39/75/56/443397556.db2.gz RSVKEGAEKHBSFM-UHFFFAOYSA-N 1 2 347.415 1.028 20 30 EDEDLO C#CCNC(=O)[C@@H](C)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000272880897 443478139 /nfs/dbraw/zinc/47/81/39/443478139.db2.gz XZOGVPURFSIZKE-CYBMUJFWSA-N 1 2 326.375 1.507 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000279339058 443558233 /nfs/dbraw/zinc/55/82/33/443558233.db2.gz PXPVLSUQBVNREP-WHWKNOJMSA-N 1 2 343.427 1.781 20 30 EDEDLO CNC(=O)N1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000272236137 443564141 /nfs/dbraw/zinc/56/41/41/443564141.db2.gz FRGXTMBXUAIDTM-UHFFFAOYSA-N 1 2 338.415 1.416 20 30 EDEDLO N#CCCCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000273153947 443552677 /nfs/dbraw/zinc/55/26/77/443552677.db2.gz MKKFXHMNOYANRD-UHFFFAOYSA-N 1 2 343.431 1.692 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)C#Cc2ccccc2)C1 ZINC000275503729 443629654 /nfs/dbraw/zinc/62/96/54/443629654.db2.gz BEULRHRBPMSMEQ-INIZCTEOSA-N 1 2 335.411 1.143 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)C#Cc2ccccc2)C1 ZINC000275503729 443629658 /nfs/dbraw/zinc/62/96/58/443629658.db2.gz BEULRHRBPMSMEQ-INIZCTEOSA-N 1 2 335.411 1.143 20 30 EDEDLO C#C[C@H](C)NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000275932290 443646972 /nfs/dbraw/zinc/64/69/72/443646972.db2.gz INBNETJWPZNSDJ-UONOGXRCSA-N 1 2 329.400 1.156 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC=C)CC1 ZINC000283538578 443656659 /nfs/dbraw/zinc/65/66/59/443656659.db2.gz OWHPAUKZQDZRCN-UHFFFAOYSA-N 1 2 339.447 1.081 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)COc2ccccc2C#N)CCO1 ZINC000276232797 443673041 /nfs/dbraw/zinc/67/30/41/443673041.db2.gz KDJVSRNPTJZJIC-WMLDXEAASA-N 1 2 340.383 1.707 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)CCN1C ZINC000280160939 443674765 /nfs/dbraw/zinc/67/47/65/443674765.db2.gz SBCQJVVQBWJKIS-OAHLLOKOSA-N 1 2 344.463 1.051 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC3OCCCO3)CC2)cc1 ZINC000280248358 443683090 /nfs/dbraw/zinc/68/30/90/443683090.db2.gz LQQDKBUIVDVRDL-UHFFFAOYSA-N 1 2 329.400 1.356 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000276500442 443725919 /nfs/dbraw/zinc/72/59/19/443725919.db2.gz PJFONYCBIIKWHG-CQSZACIVSA-N 1 2 342.447 1.566 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000276500442 443725920 /nfs/dbraw/zinc/72/59/20/443725920.db2.gz PJFONYCBIIKWHG-CQSZACIVSA-N 1 2 342.447 1.566 20 30 EDEDLO C=CCCCS(=O)(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000292201830 443783110 /nfs/dbraw/zinc/78/31/10/443783110.db2.gz GPCQCMCPXHHGLS-CQSZACIVSA-N 1 2 339.461 1.897 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000284732518 443785311 /nfs/dbraw/zinc/78/53/11/443785311.db2.gz XBRLUIIPCONABC-HIFRSBDPSA-N 1 2 340.387 1.467 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc[nH]2)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000284732518 443785313 /nfs/dbraw/zinc/78/53/13/443785313.db2.gz XBRLUIIPCONABC-HIFRSBDPSA-N 1 2 340.387 1.467 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284819914 443790242 /nfs/dbraw/zinc/79/02/42/443790242.db2.gz PSBOVHKSMNTHNV-IKGGRYGDSA-N 1 2 329.400 1.177 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284819914 443790246 /nfs/dbraw/zinc/79/02/46/443790246.db2.gz PSBOVHKSMNTHNV-IKGGRYGDSA-N 1 2 329.400 1.177 20 30 EDEDLO C=CCCCCNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000284861800 443791406 /nfs/dbraw/zinc/79/14/06/443791406.db2.gz FPEPXYJYNWYZRV-UHFFFAOYSA-N 1 2 335.473 1.695 20 30 EDEDLO C=CCCCCNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000284861800 443791409 /nfs/dbraw/zinc/79/14/09/443791409.db2.gz FPEPXYJYNWYZRV-UHFFFAOYSA-N 1 2 335.473 1.695 20 30 EDEDLO CC[C@](C)(C#N)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000284894283 443793048 /nfs/dbraw/zinc/79/30/48/443793048.db2.gz GSVHASJAJBELLQ-GOSISDBHSA-N 1 2 325.416 1.918 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cccc(OCC#N)c3)C[C@H]21 ZINC000284190223 443769627 /nfs/dbraw/zinc/76/96/27/443769627.db2.gz SPOWOVSELMNIFN-SJORKVTESA-N 1 2 329.400 1.063 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cccc(OCC#N)c3)C[C@H]21 ZINC000284190223 443769632 /nfs/dbraw/zinc/76/96/32/443769632.db2.gz SPOWOVSELMNIFN-SJORKVTESA-N 1 2 329.400 1.063 20 30 EDEDLO Cc1cccc(OCCNC(=O)[C@H](C)O[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284380895 443774367 /nfs/dbraw/zinc/77/43/67/443774367.db2.gz MAMQTJOCGZDCHX-ZFWWWQNUSA-N 1 2 335.404 1.346 20 30 EDEDLO NC(=[NH+]OCC(=O)Nc1ccc(N2CCCC2)cc1)[C@@H]1CCCO1 ZINC000284408238 443774885 /nfs/dbraw/zinc/77/48/85/443774885.db2.gz NKGUKVURQRRUSV-HNNXBMFYSA-N 1 2 332.404 1.693 20 30 EDEDLO COc1ccccc1S(=O)(=O)CCCO[NH+]=C(N)[C@H]1CCCO1 ZINC000284522193 443777510 /nfs/dbraw/zinc/77/75/10/443777510.db2.gz USBQCPXBXABCAS-CYBMUJFWSA-N 1 2 342.417 1.327 20 30 EDEDLO COCC(C)(C)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000292133426 443777957 /nfs/dbraw/zinc/77/79/57/443777957.db2.gz LOKGAVUPEKCTRD-ZDUSSCGKSA-N 1 2 342.399 1.868 20 30 EDEDLO COCC(C)(C)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000292133426 443777959 /nfs/dbraw/zinc/77/79/59/443777959.db2.gz LOKGAVUPEKCTRD-ZDUSSCGKSA-N 1 2 342.399 1.868 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285008706 443818642 /nfs/dbraw/zinc/81/86/42/443818642.db2.gz ZKCWMKSTMCDMRI-HOTGVXAUSA-N 1 2 347.390 1.775 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285008706 443818648 /nfs/dbraw/zinc/81/86/48/443818648.db2.gz ZKCWMKSTMCDMRI-HOTGVXAUSA-N 1 2 347.390 1.775 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)COc2ccccc2C#N)CCN1C ZINC000276794149 443830065 /nfs/dbraw/zinc/83/00/65/443830065.db2.gz VSDOAXMADSUGTP-HNNXBMFYSA-N 1 2 339.399 1.186 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CC)Cc2cccc(F)c2)C1=O ZINC000281384343 443896600 /nfs/dbraw/zinc/89/66/00/443896600.db2.gz PKDHLUUFAPGZDB-QGZVFWFLSA-N 1 2 347.434 1.893 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CC)Cc2cccc(F)c2)C1=O ZINC000281384343 443896605 /nfs/dbraw/zinc/89/66/05/443896605.db2.gz PKDHLUUFAPGZDB-QGZVFWFLSA-N 1 2 347.434 1.893 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)C1=O ZINC000281414531 443904897 /nfs/dbraw/zinc/90/48/97/443904897.db2.gz RIXOXTZLBHIMCE-CQSZACIVSA-N 1 2 346.818 1.567 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)C1=O ZINC000281414531 443904898 /nfs/dbraw/zinc/90/48/98/443904898.db2.gz RIXOXTZLBHIMCE-CQSZACIVSA-N 1 2 346.818 1.567 20 30 EDEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ncnn2CCF)CC1 ZINC000281511146 443931169 /nfs/dbraw/zinc/93/11/69/443931169.db2.gz SQLAUHVYJAQUOH-UHFFFAOYSA-N 1 2 328.395 1.832 20 30 EDEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ncnn2CCF)CC1 ZINC000281511146 443931172 /nfs/dbraw/zinc/93/11/72/443931172.db2.gz SQLAUHVYJAQUOH-UHFFFAOYSA-N 1 2 328.395 1.832 20 30 EDEDLO COCCn1nnc2c1CC[N@H+](CCCOc1cccc(C#N)c1)C2 ZINC000293313902 443980955 /nfs/dbraw/zinc/98/09/55/443980955.db2.gz QMEZBHMPQKQQPC-UHFFFAOYSA-N 1 2 341.415 1.623 20 30 EDEDLO COCCn1nnc2c1CC[N@@H+](CCCOc1cccc(C#N)c1)C2 ZINC000293313902 443980958 /nfs/dbraw/zinc/98/09/58/443980958.db2.gz QMEZBHMPQKQQPC-UHFFFAOYSA-N 1 2 341.415 1.623 20 30 EDEDLO COCCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000281698370 443982700 /nfs/dbraw/zinc/98/27/00/443982700.db2.gz BIKYPVHDYWCKIK-CYBMUJFWSA-N 1 2 341.437 1.044 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000288833466 443994929 /nfs/dbraw/zinc/99/49/29/443994929.db2.gz VXVOEUYDKHEUMQ-GOSISDBHSA-N 1 2 341.455 1.785 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277749291 444036528 /nfs/dbraw/zinc/03/65/28/444036528.db2.gz LMFXYCWPQKFEKY-GJZGRUSLSA-N 1 2 328.478 1.475 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277749291 444036530 /nfs/dbraw/zinc/03/65/30/444036530.db2.gz LMFXYCWPQKFEKY-GJZGRUSLSA-N 1 2 328.478 1.475 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3cc(F)ccc3OC)CC2)C1=O ZINC000281925742 444041797 /nfs/dbraw/zinc/04/17/97/444041797.db2.gz HPPNMKUMVCAGDH-QGZVFWFLSA-N 1 2 347.434 1.739 20 30 EDEDLO C=CCN(C)C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000288951631 444020953 /nfs/dbraw/zinc/02/09/53/444020953.db2.gz ZJTXLJBHCPDCSM-UHFFFAOYSA-N 1 2 326.400 1.386 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1=Cc2ccccc2OC1 ZINC000299507825 444065503 /nfs/dbraw/zinc/06/55/03/444065503.db2.gz IBWXCRNHCWIIND-UHFFFAOYSA-N 1 2 341.411 1.537 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000294628777 444130829 /nfs/dbraw/zinc/13/08/29/444130829.db2.gz WYJJPOQHYKTNMH-SJLPKXTDSA-N 1 2 330.428 1.523 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CCC[NH3+])cc2[nH]c1=S ZINC000295190887 444169311 /nfs/dbraw/zinc/16/93/11/444169311.db2.gz IWLSFLGNKUEIMN-NSHDSACASA-N 1 2 346.456 1.728 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000299723601 444125263 /nfs/dbraw/zinc/12/52/63/444125263.db2.gz OMOWOSRNYKXMIU-CQSZACIVSA-N 1 2 331.416 1.553 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000299723601 444125268 /nfs/dbraw/zinc/12/52/68/444125268.db2.gz OMOWOSRNYKXMIU-CQSZACIVSA-N 1 2 331.416 1.553 20 30 EDEDLO C#CCO[C@H](C)C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000295258213 444174029 /nfs/dbraw/zinc/17/40/29/444174029.db2.gz KSCDAXYKLFZKHM-HUUCEWRRSA-N 1 2 336.457 1.618 20 30 EDEDLO COc1nccnc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000295415311 444183104 /nfs/dbraw/zinc/18/31/04/444183104.db2.gz NKVXEAZFBORBPI-HNNXBMFYSA-N 1 2 337.383 1.642 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1C#N ZINC000576197297 321545254 /nfs/dbraw/zinc/54/52/54/321545254.db2.gz TUQKHIRIJJINCA-AWEZNQCLSA-N 1 2 345.428 1.767 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289693141 444191851 /nfs/dbraw/zinc/19/18/51/444191851.db2.gz QLFSROWVHJFKJB-GJZGRUSLSA-N 1 2 337.370 1.471 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000289693141 444191854 /nfs/dbraw/zinc/19/18/54/444191854.db2.gz QLFSROWVHJFKJB-GJZGRUSLSA-N 1 2 337.370 1.471 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000297595566 444306055 /nfs/dbraw/zinc/30/60/55/444306055.db2.gz ADQODRWKWLBKLH-OAHLLOKOSA-N 1 2 344.459 1.960 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000290429001 444279789 /nfs/dbraw/zinc/27/97/89/444279789.db2.gz RBTHDRAWUFAJRA-RHSMWYFYSA-N 1 2 338.473 1.907 20 30 EDEDLO O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCc2[nH]nnc2C1 ZINC000328779761 444349532 /nfs/dbraw/zinc/34/95/32/444349532.db2.gz FBNALZLQTQBEHM-AWEZNQCLSA-N 1 2 340.431 1.926 20 30 EDEDLO O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCc2nn[nH]c2C1 ZINC000328779761 444349538 /nfs/dbraw/zinc/34/95/38/444349538.db2.gz FBNALZLQTQBEHM-AWEZNQCLSA-N 1 2 340.431 1.926 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(CC(=O)Nc3cc(C(C)(C)C)no3)C[C@H]21 ZINC000328923197 444404861 /nfs/dbraw/zinc/40/48/61/444404861.db2.gz UTMRYMNYHXVJMK-OLZOCXBDSA-N 1 2 336.436 1.965 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(CC(=O)Nc3cc(C(C)(C)C)no3)C[C@H]21 ZINC000328923197 444404864 /nfs/dbraw/zinc/40/48/64/444404864.db2.gz UTMRYMNYHXVJMK-OLZOCXBDSA-N 1 2 336.436 1.965 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CCCn3ncnc31)CCC2 ZINC000328637695 444407844 /nfs/dbraw/zinc/40/78/44/444407844.db2.gz BCPCULZSLSJFPM-STQMWFEESA-N 1 2 329.408 1.699 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1COCCN1C)c1ccccc1F ZINC000328944386 444415672 /nfs/dbraw/zinc/41/56/72/444415672.db2.gz JFHBMGHGNNSTCZ-HUUCEWRRSA-N 1 2 332.379 1.936 20 30 EDEDLO Cc1c(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cnn1CC(C)C ZINC000328966355 444426848 /nfs/dbraw/zinc/42/68/48/444426848.db2.gz MVCDDANZMPFNCM-CVEARBPZSA-N 1 2 335.452 1.798 20 30 EDEDLO Cc1c(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cnn1CC(C)C ZINC000328966355 444426853 /nfs/dbraw/zinc/42/68/53/444426853.db2.gz MVCDDANZMPFNCM-CVEARBPZSA-N 1 2 335.452 1.798 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000298125517 444423546 /nfs/dbraw/zinc/42/35/46/444423546.db2.gz PUAPLLLLPKMSKF-OAHLLOKOSA-N 1 2 345.443 1.545 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N1CCC[C@@H]1[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000328869533 444382662 /nfs/dbraw/zinc/38/26/62/444382662.db2.gz HQJDYFVOIAEFEH-JJXSEGSLSA-N 1 2 325.453 1.653 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccc3n[nH]c(=O)n3c1)CCC2 ZINC000328911905 444398251 /nfs/dbraw/zinc/39/82/51/444398251.db2.gz OOUPOCDLZRDVPH-NSHDSACASA-N 1 2 326.360 1.822 20 30 EDEDLO Cn1ncc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1C(F)(F)F ZINC000329046617 444456555 /nfs/dbraw/zinc/45/65/55/444456555.db2.gz QBYHTQOUCGTEJT-MNOVXSKESA-N 1 2 347.341 1.389 20 30 EDEDLO Cn1ncc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1C(F)(F)F ZINC000329046617 444456558 /nfs/dbraw/zinc/45/65/58/444456558.db2.gz QBYHTQOUCGTEJT-MNOVXSKESA-N 1 2 347.341 1.389 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331176445 444432370 /nfs/dbraw/zinc/43/23/70/444432370.db2.gz KCELYWDBFWITBO-DYVFJYSZSA-N 1 2 330.436 1.293 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331176445 444432372 /nfs/dbraw/zinc/43/23/72/444432372.db2.gz KCELYWDBFWITBO-DYVFJYSZSA-N 1 2 330.436 1.293 20 30 EDEDLO C=CCn1c(C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000337845908 444434912 /nfs/dbraw/zinc/43/49/12/444434912.db2.gz HGWJQJMQSQNBQS-QGZVFWFLSA-N 1 2 348.495 1.004 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000329005754 444442631 /nfs/dbraw/zinc/44/26/31/444442631.db2.gz YSRPHOAFOIAMSA-BBWFWOEESA-N 1 2 329.400 1.359 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000329005754 444442634 /nfs/dbraw/zinc/44/26/34/444442634.db2.gz YSRPHOAFOIAMSA-BBWFWOEESA-N 1 2 329.400 1.359 20 30 EDEDLO CN(C[C@H]1C[C@@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc(C#N)cn1 ZINC000337876466 444445224 /nfs/dbraw/zinc/44/52/24/444445224.db2.gz ZEAYWCWEUSMILD-GDBMZVCRSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@H]1C[C@@H](F)C[N@H+]1Cc1ccnn1C)c1ccc(C#N)cn1 ZINC000337876466 444445229 /nfs/dbraw/zinc/44/52/29/444445229.db2.gz ZEAYWCWEUSMILD-GDBMZVCRSA-N 1 2 328.395 1.736 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCOC3CCCCC3)C[C@H]21 ZINC000329116699 444476739 /nfs/dbraw/zinc/47/67/39/444476739.db2.gz IRTXJCBPSYJMLJ-HZPDHXFCSA-N 1 2 325.453 1.655 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCOC3CCCCC3)C[C@H]21 ZINC000329116699 444476741 /nfs/dbraw/zinc/47/67/41/444476741.db2.gz IRTXJCBPSYJMLJ-HZPDHXFCSA-N 1 2 325.453 1.655 20 30 EDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H](CO)[C@@H]1CCOC1 ZINC000329119064 444477160 /nfs/dbraw/zinc/47/71/60/444477160.db2.gz JRUWNMZBFKHAAD-KLHDSHLOSA-N 1 2 333.432 1.755 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@]3(CCOC3)C2)nc1 ZINC000581410885 322173269 /nfs/dbraw/zinc/17/32/69/322173269.db2.gz PBMFIZKKEZWXLQ-INIZCTEOSA-N 1 2 335.429 1.229 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@]3(CCOC3)C2)nc1 ZINC000581410885 322173272 /nfs/dbraw/zinc/17/32/72/322173272.db2.gz PBMFIZKKEZWXLQ-INIZCTEOSA-N 1 2 335.429 1.229 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1C#N ZINC000329222535 444505264 /nfs/dbraw/zinc/50/52/64/444505264.db2.gz WOHVTTKDAACYIE-JTQLQIEISA-N 1 2 332.429 1.595 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1C#N ZINC000329222535 444505265 /nfs/dbraw/zinc/50/52/65/444505265.db2.gz WOHVTTKDAACYIE-JTQLQIEISA-N 1 2 332.429 1.595 20 30 EDEDLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000329253992 444514158 /nfs/dbraw/zinc/51/41/58/444514158.db2.gz ZOUAURIIKAEMRG-RDBSUJKOSA-N 1 2 344.419 1.387 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000329258722 444514558 /nfs/dbraw/zinc/51/45/58/444514558.db2.gz CLTRBEAEAAFBHJ-VHDGCEQUSA-N 1 2 333.436 1.496 20 30 EDEDLO O=C(NCCN1C(=O)CCCC1=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329278905 444519626 /nfs/dbraw/zinc/51/96/26/444519626.db2.gz LKPCJWLQRKBDJU-CQSZACIVSA-N 1 2 337.420 1.125 20 30 EDEDLO O=C(NCCN1C(=O)CCCC1=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329278905 444519629 /nfs/dbraw/zinc/51/96/29/444519629.db2.gz LKPCJWLQRKBDJU-CQSZACIVSA-N 1 2 337.420 1.125 20 30 EDEDLO Cc1cn2cc(NC(=O)N3CCO[C@@H](c4noc(C)n4)C3)ccc2[nH+]1 ZINC000329385131 444558259 /nfs/dbraw/zinc/55/82/59/444558259.db2.gz PVGVKOHQCXCKGI-CYBMUJFWSA-N 1 2 342.359 1.953 20 30 EDEDLO COc1cc(F)c(F)cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329510315 444609434 /nfs/dbraw/zinc/60/94/34/444609434.db2.gz JZYBQULEVABZNQ-TZMCWYRMSA-N 1 2 327.331 1.534 20 30 EDEDLO COc1cc(F)c(F)cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329510315 444609437 /nfs/dbraw/zinc/60/94/37/444609437.db2.gz JZYBQULEVABZNQ-TZMCWYRMSA-N 1 2 327.331 1.534 20 30 EDEDLO C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCCSC2)CC1 ZINC000329634098 444657700 /nfs/dbraw/zinc/65/77/00/444657700.db2.gz WZTNKWVRLBXWLK-CQSZACIVSA-N 1 2 327.494 1.886 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCOc4ccc(F)cc43)C[C@@H]21 ZINC000329634366 444658594 /nfs/dbraw/zinc/65/85/94/444658594.db2.gz XCDZGIKLAISVMZ-IJEWVQPXSA-N 1 2 335.379 1.578 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCOc4ccc(F)cc43)C[C@@H]21 ZINC000329634366 444658596 /nfs/dbraw/zinc/65/85/96/444658596.db2.gz XCDZGIKLAISVMZ-IJEWVQPXSA-N 1 2 335.379 1.578 20 30 EDEDLO C[C@@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)n1cnc(C#N)n1 ZINC000342458126 444699279 /nfs/dbraw/zinc/69/92/79/444699279.db2.gz MOXVNBBWHSKTKI-LBPRGKRZSA-N 1 2 325.376 1.022 20 30 EDEDLO [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+]Cc1nnc2n1CCCCC2 ZINC000329706277 444686895 /nfs/dbraw/zinc/68/68/95/444686895.db2.gz JVXRNMNYKIRXHY-LLVKDONJSA-N 1 2 329.408 1.289 20 30 EDEDLO [O-]C(N[C@@H]1CCc2[nH+]c[nH]c2C1)=[NH+]Cc1nnc2n1CCCCC2 ZINC000329706277 444686899 /nfs/dbraw/zinc/68/68/99/444686899.db2.gz JVXRNMNYKIRXHY-LLVKDONJSA-N 1 2 329.408 1.289 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@H](C3CCC3)C2)CC1 ZINC000334038098 444755760 /nfs/dbraw/zinc/75/57/60/444755760.db2.gz NRWFPNFFQCSLGA-ROUUACIJSA-N 1 2 348.491 1.180 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@H](C3CCC3)C2)CC1 ZINC000334038098 444755765 /nfs/dbraw/zinc/75/57/65/444755765.db2.gz NRWFPNFFQCSLGA-ROUUACIJSA-N 1 2 348.491 1.180 20 30 EDEDLO CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000329900316 444758742 /nfs/dbraw/zinc/75/87/42/444758742.db2.gz NPUQKOOCIYPYLU-QWHCGFSZSA-N 1 2 329.466 1.221 20 30 EDEDLO CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000329900316 444758750 /nfs/dbraw/zinc/75/87/50/444758750.db2.gz NPUQKOOCIYPYLU-QWHCGFSZSA-N 1 2 329.466 1.221 20 30 EDEDLO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1C#N ZINC000338591751 444761503 /nfs/dbraw/zinc/76/15/03/444761503.db2.gz HZCFTJVPTVIPHG-UHFFFAOYSA-N 1 2 349.456 1.567 20 30 EDEDLO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1C#N ZINC000338591751 444761507 /nfs/dbraw/zinc/76/15/07/444761507.db2.gz HZCFTJVPTVIPHG-UHFFFAOYSA-N 1 2 349.456 1.567 20 30 EDEDLO COc1ccc(Cl)c(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000329918423 444768414 /nfs/dbraw/zinc/76/84/14/444768414.db2.gz FWXZTFUKHCSNAI-ZIAGYGMSSA-N 1 2 325.796 1.909 20 30 EDEDLO COc1ccc(Cl)c(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000329918423 444768418 /nfs/dbraw/zinc/76/84/18/444768418.db2.gz FWXZTFUKHCSNAI-ZIAGYGMSSA-N 1 2 325.796 1.909 20 30 EDEDLO CN1CC[C@H](NC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1=O ZINC000329833496 444734291 /nfs/dbraw/zinc/73/42/91/444734291.db2.gz KSUBRITVEDRMRR-RYUDHWBXSA-N 1 2 333.436 1.230 20 30 EDEDLO Cc1cc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc(C#N)n1 ZINC000341424656 444822703 /nfs/dbraw/zinc/82/27/03/444822703.db2.gz ZSRQUZRUCWVAAR-UHFFFAOYSA-N 1 2 334.387 1.265 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1 ZINC000341446361 444836726 /nfs/dbraw/zinc/83/67/26/444836726.db2.gz DFYAIHYTPSSOET-CVEARBPZSA-N 1 2 345.443 1.829 20 30 EDEDLO CCN(CC)c1ccc(CNC(=O)[C@@H](C)n2cnc(C#N)n2)c[nH+]1 ZINC000336893794 444838827 /nfs/dbraw/zinc/83/88/27/444838827.db2.gz PTIZGOIFCAUHJJ-GFCCVEGCSA-N 1 2 327.392 1.268 20 30 EDEDLO CC(C)(CNC(=O)N[C@@H]1CCOC2(CCC2)C1)[NH+]1CCOCC1 ZINC000330236268 444900952 /nfs/dbraw/zinc/90/09/52/444900952.db2.gz ZEUODYQXODESPC-CQSZACIVSA-N 1 2 325.453 1.703 20 30 EDEDLO COc1ccc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(OC)c1 ZINC000330242156 444903654 /nfs/dbraw/zinc/90/36/54/444903654.db2.gz CASHRDNWXRMDHH-ZBFHGGJFSA-N 1 2 335.404 1.307 20 30 EDEDLO COc1ccc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(OC)c1 ZINC000330242156 444903655 /nfs/dbraw/zinc/90/36/55/444903655.db2.gz CASHRDNWXRMDHH-ZBFHGGJFSA-N 1 2 335.404 1.307 20 30 EDEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000338887262 444913702 /nfs/dbraw/zinc/91/37/02/444913702.db2.gz PTCAQOYPCVRYEP-UHFFFAOYSA-N 1 2 338.473 1.812 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000330269766 444915480 /nfs/dbraw/zinc/91/54/80/444915480.db2.gz SHTZOCZMUWVOOW-RBSFLKMASA-N 1 2 343.493 1.426 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000330269766 444915483 /nfs/dbraw/zinc/91/54/83/444915483.db2.gz SHTZOCZMUWVOOW-RBSFLKMASA-N 1 2 343.493 1.426 20 30 EDEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC(O)(C(F)F)CC1 ZINC000330289891 444923691 /nfs/dbraw/zinc/92/36/91/444923691.db2.gz FIMXQBVGWFETKK-LBPRGKRZSA-N 1 2 340.374 1.666 20 30 EDEDLO C[C@H]1CCS(=O)(=O)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000330340137 444943727 /nfs/dbraw/zinc/94/37/27/444943727.db2.gz XNVNWKCUNVLEQX-LBPRGKRZSA-N 1 2 340.449 1.142 20 30 EDEDLO O=C(NCc1cccc2c1OCCCO2)N1CCn2cc[nH+]c2C1 ZINC000330351941 444947926 /nfs/dbraw/zinc/94/79/26/444947926.db2.gz MWXJYUBWXYMJGN-UHFFFAOYSA-N 1 2 328.372 1.974 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000330371342 444956515 /nfs/dbraw/zinc/95/65/15/444956515.db2.gz INAAJLSTJVIVLY-ZFWWWQNUSA-N 1 2 338.433 1.261 20 30 EDEDLO CC[C@H](NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)C1CCOCC1 ZINC000330331940 444940120 /nfs/dbraw/zinc/94/01/20/444940120.db2.gz OMWUTZZXECYCLF-JKSUJKDBSA-N 1 2 349.479 1.828 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000339097924 445031683 /nfs/dbraw/zinc/03/16/83/445031683.db2.gz ZBPUDDGHZOZVNN-UHFFFAOYSA-N 1 2 339.355 1.889 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000337204912 444985440 /nfs/dbraw/zinc/98/54/40/444985440.db2.gz JLHPEDXFIKKUEW-ILXRZTDVSA-N 1 2 345.447 1.996 20 30 EDEDLO COc1ncc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)n1 ZINC000337214878 444988144 /nfs/dbraw/zinc/98/81/44/444988144.db2.gz XVAKHBYFFJHPPH-UHFFFAOYSA-N 1 2 341.419 1.029 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1=O ZINC000337238884 444999777 /nfs/dbraw/zinc/99/97/77/444999777.db2.gz ZLOOLPKBPHVEFM-ZACQAIPSSA-N 1 2 333.476 1.886 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1=O ZINC000337238884 444999779 /nfs/dbraw/zinc/99/97/79/444999779.db2.gz ZLOOLPKBPHVEFM-ZACQAIPSSA-N 1 2 333.476 1.886 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cnc(C#N)cn3)CC2)n1 ZINC000337244232 445001952 /nfs/dbraw/zinc/00/19/52/445001952.db2.gz BZNZWWKXBIREBC-LBPRGKRZSA-N 1 2 343.391 1.151 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cnc(C#N)cn3)CC2)n1 ZINC000337244232 445001957 /nfs/dbraw/zinc/00/19/57/445001957.db2.gz BZNZWWKXBIREBC-LBPRGKRZSA-N 1 2 343.391 1.151 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000330492206 445004473 /nfs/dbraw/zinc/00/44/73/445004473.db2.gz JPKIJIYYPTYHTN-UHFFFAOYSA-N 1 2 333.436 1.341 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cnccc3C#N)c[nH+]2)CCO1 ZINC000341800107 445007366 /nfs/dbraw/zinc/00/73/66/445007366.db2.gz ILSCKWQQEZJWCA-CYBMUJFWSA-N 1 2 337.383 1.503 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ncccc3OCCCC#N)C[C@@H]21 ZINC000341949804 445089638 /nfs/dbraw/zinc/08/96/38/445089638.db2.gz KAPQVAZVHJSYRV-ZFWWWQNUSA-N 1 2 345.403 1.311 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ncccc3OCCCC#N)C[C@@H]21 ZINC000341949804 445089640 /nfs/dbraw/zinc/08/96/40/445089640.db2.gz KAPQVAZVHJSYRV-ZFWWWQNUSA-N 1 2 345.403 1.311 20 30 EDEDLO COCC1(C#N)CC[NH+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000341992087 445111537 /nfs/dbraw/zinc/11/15/37/445111537.db2.gz MQDMQKOITAYVNW-AWEZNQCLSA-N 1 2 331.420 1.168 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1C ZINC000345482835 445188380 /nfs/dbraw/zinc/18/83/80/445188380.db2.gz FVXFGSNQXKCJAP-NWDGAFQWSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1C ZINC000345482835 445188382 /nfs/dbraw/zinc/18/83/82/445188382.db2.gz FVXFGSNQXKCJAP-NWDGAFQWSA-N 1 2 325.409 1.801 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337662731 445192217 /nfs/dbraw/zinc/19/22/17/445192217.db2.gz QRWZOUJOJKTSJO-PBHICJAKSA-N 1 2 336.395 1.894 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000346423910 445214436 /nfs/dbraw/zinc/21/44/36/445214436.db2.gz WMQJRNKLJKAENN-UHFFFAOYSA-N 1 2 334.401 1.146 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346496375 445216932 /nfs/dbraw/zinc/21/69/32/445216932.db2.gz ULWRRLDQMXAYEX-CABCVRRESA-N 1 2 347.484 1.958 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346496375 445216933 /nfs/dbraw/zinc/21/69/33/445216933.db2.gz ULWRRLDQMXAYEX-CABCVRRESA-N 1 2 347.484 1.958 20 30 EDEDLO C[C@H](C(=O)NC(N)=O)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348306463 445250577 /nfs/dbraw/zinc/25/05/77/445250577.db2.gz MGDGUZWYTSLREU-RISCZKNCSA-N 1 2 349.822 1.106 20 30 EDEDLO C=CCOCCC[N@@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000348318995 445254325 /nfs/dbraw/zinc/25/43/25/445254325.db2.gz KVTWKKHZXUFEDC-HNNXBMFYSA-N 1 2 329.400 1.763 20 30 EDEDLO C=CCOCCC[N@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000348318995 445254328 /nfs/dbraw/zinc/25/43/28/445254328.db2.gz KVTWKKHZXUFEDC-HNNXBMFYSA-N 1 2 329.400 1.763 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348772841 445372577 /nfs/dbraw/zinc/37/25/77/445372577.db2.gz IWWTWSCBEFMRES-JKSUJKDBSA-N 1 2 349.500 1.668 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348772841 445372583 /nfs/dbraw/zinc/37/25/83/445372583.db2.gz IWWTWSCBEFMRES-JKSUJKDBSA-N 1 2 349.500 1.668 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000351971579 445409450 /nfs/dbraw/zinc/40/94/50/445409450.db2.gz ULAHRZWECDBCBX-UHFFFAOYSA-N 1 2 348.403 1.023 20 30 EDEDLO N#CC1CCN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000348947119 445451041 /nfs/dbraw/zinc/45/10/41/445451041.db2.gz HWPALWGASFZNQQ-UHFFFAOYSA-N 1 2 337.383 1.251 20 30 EDEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000360007280 445524558 /nfs/dbraw/zinc/52/45/58/445524558.db2.gz OPBXBTWBYNMSLZ-UHFFFAOYSA-N 1 2 336.392 1.746 20 30 EDEDLO CS(=O)(=O)N(CC[NH+]1CCC(F)(C#N)CC1)Cc1ccccc1 ZINC000352451537 445530486 /nfs/dbraw/zinc/53/04/86/445530486.db2.gz WYIJHQWDYWSFQQ-UHFFFAOYSA-N 1 2 339.436 1.776 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)nc1 ZINC000352112240 445500115 /nfs/dbraw/zinc/50/01/15/445500115.db2.gz BIQOLTCFZRJAPA-UHFFFAOYSA-N 1 2 337.383 1.457 20 30 EDEDLO N#Cc1ccc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)cc1[N+](=O)[O-] ZINC000357302544 445535939 /nfs/dbraw/zinc/53/59/39/445535939.db2.gz MVIXHKQNZXGGEV-UHFFFAOYSA-N 1 2 338.327 1.541 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000353324350 445588892 /nfs/dbraw/zinc/58/88/92/445588892.db2.gz UBCCKGWOZWOCQG-UHFFFAOYSA-N 1 2 339.399 1.707 20 30 EDEDLO C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000352863828 445560213 /nfs/dbraw/zinc/56/02/13/445560213.db2.gz WWDOILFSEUNIEN-KBPBESRZSA-N 1 2 329.466 1.099 20 30 EDEDLO C[C@@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)c1cccc(C#N)c1 ZINC000360169991 445609794 /nfs/dbraw/zinc/60/97/94/445609794.db2.gz LONOAVBUWQHPFR-OAHLLOKOSA-N 1 2 337.427 1.740 20 30 EDEDLO C=CCN(CCOC)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000358211992 445611865 /nfs/dbraw/zinc/61/18/65/445611865.db2.gz PVGBKAUPWMJPJS-UHFFFAOYSA-N 1 2 334.420 1.262 20 30 EDEDLO C[C@H](C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)c1cccc(C#N)c1 ZINC000360176341 445613350 /nfs/dbraw/zinc/61/33/50/445613350.db2.gz VNUYLQXPDIHMRY-HNNXBMFYSA-N 1 2 337.427 1.740 20 30 EDEDLO Cc1cc(C[NH+]2CCN(CC(=O)N3CCCC3)CC2)ccc1C#N ZINC000362967752 445630720 /nfs/dbraw/zinc/63/07/20/445630720.db2.gz TUIQRENLWVRHAZ-UHFFFAOYSA-N 1 2 326.444 1.607 20 30 EDEDLO Cc1cc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1C#N ZINC000362967752 445630722 /nfs/dbraw/zinc/63/07/22/445630722.db2.gz TUIQRENLWVRHAZ-UHFFFAOYSA-N 1 2 326.444 1.607 20 30 EDEDLO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000349778961 445675024 /nfs/dbraw/zinc/67/50/24/445675024.db2.gz USTHRPGZDODUPW-XJKSGUPXSA-N 1 2 335.429 1.042 20 30 EDEDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349900469 445716267 /nfs/dbraw/zinc/71/62/67/445716267.db2.gz YQVNSNHIFKMNTO-TZMCWYRMSA-N 1 2 332.452 1.025 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349907314 445718136 /nfs/dbraw/zinc/71/81/36/445718136.db2.gz HXIYFVOQODXAJT-UHFFFAOYSA-N 1 2 344.463 1.147 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000349978831 445740227 /nfs/dbraw/zinc/74/02/27/445740227.db2.gz UZFKUBMWEUKRLA-ONEGZZNKSA-N 1 2 335.398 1.898 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000356347661 445745981 /nfs/dbraw/zinc/74/59/81/445745981.db2.gz RIGWMQBWFAWZLQ-LMMKCTJWSA-N 1 2 330.428 1.425 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000356347661 445745987 /nfs/dbraw/zinc/74/59/87/445745987.db2.gz RIGWMQBWFAWZLQ-LMMKCTJWSA-N 1 2 330.428 1.425 20 30 EDEDLO C=CCSCCNC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000369096481 445928505 /nfs/dbraw/zinc/92/85/05/445928505.db2.gz IFXHDVOFJKMMEG-UHFFFAOYSA-N 1 2 340.493 1.031 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(Cc2ncc(C(C)C)o2)C(C)=O)C1 ZINC000364534306 445929950 /nfs/dbraw/zinc/92/99/50/445929950.db2.gz REIKUUAWQDLZHY-HNNXBMFYSA-N 1 2 348.447 1.523 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(Cc2ncc(C(C)C)o2)C(C)=O)C1 ZINC000364534306 445929955 /nfs/dbraw/zinc/92/99/55/445929955.db2.gz REIKUUAWQDLZHY-HNNXBMFYSA-N 1 2 348.447 1.523 20 30 EDEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3ccncc3)CC1)CCOC2 ZINC000584153685 326208604 /nfs/dbraw/zinc/20/86/04/326208604.db2.gz MPUIJRGSBBZHAN-UHFFFAOYSA-N 1 2 335.411 1.743 20 30 EDEDLO C=CCOCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000354294542 446088304 /nfs/dbraw/zinc/08/83/04/446088304.db2.gz CLWHNMSWZWBKGX-UHFFFAOYSA-N 1 2 331.416 1.408 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000366203206 446081441 /nfs/dbraw/zinc/08/14/41/446081441.db2.gz JJHRXRQYRCJKHA-KRWDZBQOSA-N 1 2 344.415 1.099 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000366203206 446081443 /nfs/dbraw/zinc/08/14/43/446081443.db2.gz JJHRXRQYRCJKHA-KRWDZBQOSA-N 1 2 344.415 1.099 20 30 EDEDLO C=CCOCCCC(=O)NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351536788 446136492 /nfs/dbraw/zinc/13/64/92/446136492.db2.gz SDIUNEZTFGRODM-CVEARBPZSA-N 1 2 338.427 1.432 20 30 EDEDLO C=CCOCCCC(=O)NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351536788 446136502 /nfs/dbraw/zinc/13/65/02/446136502.db2.gz SDIUNEZTFGRODM-CVEARBPZSA-N 1 2 338.427 1.432 20 30 EDEDLO C#CC[C@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000366302240 446138253 /nfs/dbraw/zinc/13/82/53/446138253.db2.gz RNWPIIFRMLZEPG-MSOLQXFVSA-N 1 2 327.428 1.913 20 30 EDEDLO C#CC[C@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000366302240 446138260 /nfs/dbraw/zinc/13/82/60/446138260.db2.gz RNWPIIFRMLZEPG-MSOLQXFVSA-N 1 2 327.428 1.913 20 30 EDEDLO Cn1cc(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)cc1C#N ZINC000365264644 446111871 /nfs/dbraw/zinc/11/18/71/446111871.db2.gz WBKVHBHJRZDJRC-KRWDZBQOSA-N 1 2 349.394 1.550 20 30 EDEDLO Cn1cc(C[N@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)cc1C#N ZINC000365264644 446111877 /nfs/dbraw/zinc/11/18/77/446111877.db2.gz WBKVHBHJRZDJRC-KRWDZBQOSA-N 1 2 349.394 1.550 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366425837 446208538 /nfs/dbraw/zinc/20/85/38/446208538.db2.gz XWJWNGDQMOGKRH-ZBFHGGJFSA-N 1 2 343.493 1.330 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366425837 446208540 /nfs/dbraw/zinc/20/85/40/446208540.db2.gz XWJWNGDQMOGKRH-ZBFHGGJFSA-N 1 2 343.493 1.330 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000366432466 446211047 /nfs/dbraw/zinc/21/10/47/446211047.db2.gz DUHGWVTXMQUVET-IMJJTQAJSA-N 1 2 328.416 1.992 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000366432466 446211048 /nfs/dbraw/zinc/21/10/48/446211048.db2.gz DUHGWVTXMQUVET-IMJJTQAJSA-N 1 2 328.416 1.992 20 30 EDEDLO Cc1onc(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1C#N ZINC000354454727 446215957 /nfs/dbraw/zinc/21/59/57/446215957.db2.gz XTFQFVWNTQWVAJ-UHFFFAOYSA-N 1 2 340.383 1.868 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(C#N)s1)CCC2 ZINC000366646750 446292566 /nfs/dbraw/zinc/29/25/66/446292566.db2.gz HXAJFLDYCQBRLT-NSHDSACASA-N 1 2 336.442 1.981 20 30 EDEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000411145504 446409601 /nfs/dbraw/zinc/40/96/01/446409601.db2.gz RXPCBAIJJCIIRB-HNNXBMFYSA-N 1 2 328.482 1.417 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000411153357 446411602 /nfs/dbraw/zinc/41/16/02/446411602.db2.gz BDCAJTWHEZYRDQ-CQSZACIVSA-N 1 2 328.416 1.465 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000453708015 446613563 /nfs/dbraw/zinc/61/35/63/446613563.db2.gz BPXBWWGAKWSAHX-UHFFFAOYSA-N 1 2 337.383 1.935 20 30 EDEDLO COc1ccncc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000367737513 446580230 /nfs/dbraw/zinc/58/02/30/446580230.db2.gz MQJGWYSSMGLOHD-KUHUBIRLSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1ccncc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000367737513 446580235 /nfs/dbraw/zinc/58/02/35/446580235.db2.gz MQJGWYSSMGLOHD-KUHUBIRLSA-N 1 2 334.379 1.936 20 30 EDEDLO C=CCCc1ccccc1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000411593071 446619611 /nfs/dbraw/zinc/61/96/11/446619611.db2.gz DQEZQXQWBPQJNP-UHFFFAOYSA-N 1 2 326.400 1.836 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC(C)(C)CCC#N)C2)CC1 ZINC000377034806 446875490 /nfs/dbraw/zinc/87/54/90/446875490.db2.gz XENNSOWYVMEBDE-MRXNPFEDSA-N 1 2 335.496 1.738 20 30 EDEDLO C#CCNC(=O)C1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000371474604 446878933 /nfs/dbraw/zinc/87/89/33/446878933.db2.gz FSGIBNSDVBDUDB-UHFFFAOYSA-N 1 2 345.468 1.094 20 30 EDEDLO C#CCNC(=O)C1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000371474604 446878940 /nfs/dbraw/zinc/87/89/40/446878940.db2.gz FSGIBNSDVBDUDB-UHFFFAOYSA-N 1 2 345.468 1.094 20 30 EDEDLO CC1(C)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](CO)O1 ZINC000420951598 446922861 /nfs/dbraw/zinc/92/28/61/446922861.db2.gz XZEKETIVCATLJN-HZPDHXFCSA-N 1 2 329.400 1.135 20 30 EDEDLO CC1(C)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](CO)O1 ZINC000420951598 446922868 /nfs/dbraw/zinc/92/28/68/446922868.db2.gz XZEKETIVCATLJN-HZPDHXFCSA-N 1 2 329.400 1.135 20 30 EDEDLO C=CCC1(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CCOCC1 ZINC000424798313 446940587 /nfs/dbraw/zinc/94/05/87/446940587.db2.gz SJVOGQHUWZXNFS-OAHLLOKOSA-N 1 2 332.448 1.608 20 30 EDEDLO CCn1cc(CC[N@@H+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)cn1 ZINC000375673890 446967523 /nfs/dbraw/zinc/96/75/23/446967523.db2.gz HPSVCTKPMLOUPG-UHFFFAOYSA-N 1 2 337.427 1.662 20 30 EDEDLO CCn1cc(CC[N@H+]2CCN(Cc3ccc(C#N)cc3)C(=O)C2)cn1 ZINC000375673890 446967534 /nfs/dbraw/zinc/96/75/34/446967534.db2.gz HPSVCTKPMLOUPG-UHFFFAOYSA-N 1 2 337.427 1.662 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000421041087 447005441 /nfs/dbraw/zinc/00/54/41/447005441.db2.gz OMZQEUCKGJPAQH-MRXNPFEDSA-N 1 2 334.464 1.519 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000421041087 447005446 /nfs/dbraw/zinc/00/54/46/447005446.db2.gz OMZQEUCKGJPAQH-MRXNPFEDSA-N 1 2 334.464 1.519 20 30 EDEDLO N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443010547 446996521 /nfs/dbraw/zinc/99/65/21/446996521.db2.gz FNCVFWHIIXOUCP-UKRRQHHQSA-N 1 2 330.413 1.902 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000368981047 447243686 /nfs/dbraw/zinc/24/36/86/447243686.db2.gz OOUVENPLZHCVRT-UHFFFAOYSA-N 1 2 338.415 1.714 20 30 EDEDLO C=CCNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455953122 447268751 /nfs/dbraw/zinc/26/87/51/447268751.db2.gz JWOWNNCOXDQBGH-UHFFFAOYSA-N 1 2 341.209 1.988 20 30 EDEDLO COc1cc(C(C)=O)c(OC)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414140974 447275780 /nfs/dbraw/zinc/27/57/80/447275780.db2.gz HCVORWZAUKMPQD-ZDUSSCGKSA-N 1 2 336.388 1.492 20 30 EDEDLO COc1cc(C(C)=O)c(OC)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414140974 447275790 /nfs/dbraw/zinc/27/57/90/447275790.db2.gz HCVORWZAUKMPQD-ZDUSSCGKSA-N 1 2 336.388 1.492 20 30 EDEDLO COC(=O)c1cc(Cl)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414119311 447276778 /nfs/dbraw/zinc/27/67/78/447276778.db2.gz CUXFIMOKMQXINU-GFCCVEGCSA-N 1 2 326.780 1.712 20 30 EDEDLO COC(=O)c1cc(Cl)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414119311 447276783 /nfs/dbraw/zinc/27/67/83/447276783.db2.gz CUXFIMOKMQXINU-GFCCVEGCSA-N 1 2 326.780 1.712 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000495081362 447476119 /nfs/dbraw/zinc/47/61/19/447476119.db2.gz SZYXJCXZHMOOAH-SJORKVTESA-N 1 2 349.427 1.419 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC000495081362 447476123 /nfs/dbraw/zinc/47/61/23/447476123.db2.gz SZYXJCXZHMOOAH-SJORKVTESA-N 1 2 349.427 1.419 20 30 EDEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000392850226 447527450 /nfs/dbraw/zinc/52/74/50/447527450.db2.gz QEBSFYLPKRZOIO-LSDHHAIUSA-N 1 2 327.388 1.264 20 30 EDEDLO Cn1cnnc1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000392850226 447527454 /nfs/dbraw/zinc/52/74/54/447527454.db2.gz QEBSFYLPKRZOIO-LSDHHAIUSA-N 1 2 327.388 1.264 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000457518876 447585406 /nfs/dbraw/zinc/58/54/06/447585406.db2.gz DZQBLCRXDYTWIV-ROUUACIJSA-N 1 2 347.459 1.686 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000408280210 447646067 /nfs/dbraw/zinc/64/60/67/447646067.db2.gz GFKAAEOURKVMSS-RISCZKNCSA-N 1 2 333.354 1.717 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000408280210 447646072 /nfs/dbraw/zinc/64/60/72/447646072.db2.gz GFKAAEOURKVMSS-RISCZKNCSA-N 1 2 333.354 1.717 20 30 EDEDLO C=CC[C@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)c1ccccc1 ZINC000427459242 447601098 /nfs/dbraw/zinc/60/10/98/447601098.db2.gz QNEPOXFMSRFXNK-SFHVURJKSA-N 1 2 339.443 1.782 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)C1(C#N)CCOCC1)C2 ZINC000408112352 447630073 /nfs/dbraw/zinc/63/00/73/447630073.db2.gz KBSRJWSOVJNDFT-CYBMUJFWSA-N 1 2 330.432 1.932 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428701411 447714434 /nfs/dbraw/zinc/71/44/34/447714434.db2.gz RSEOITVQZYNPKI-AWEZNQCLSA-N 1 2 341.477 1.038 20 30 EDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000451400581 447728355 /nfs/dbraw/zinc/72/83/55/447728355.db2.gz BAUOOGLJZNSRPM-VYCZESIESA-N 1 2 325.412 1.648 20 30 EDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000451400581 447728358 /nfs/dbraw/zinc/72/83/58/447728358.db2.gz BAUOOGLJZNSRPM-VYCZESIESA-N 1 2 325.412 1.648 20 30 EDEDLO CC(C)(C)OC(=O)N1CC(CN=Nc2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000496506899 447795841 /nfs/dbraw/zinc/79/58/41/447795841.db2.gz VTSCODRSEDDUCA-UHFFFAOYSA-N 1 2 343.391 1.927 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496653378 447841480 /nfs/dbraw/zinc/84/14/80/447841480.db2.gz CASAHYWWPXNVKK-UONOGXRCSA-N 1 2 349.435 1.975 20 30 EDEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C[C@@H](C(=O)OC)OC1=O ZINC000496677271 447846413 /nfs/dbraw/zinc/84/64/13/447846413.db2.gz ABODSEOQZZCPMG-HNNXBMFYSA-N 1 2 334.372 1.635 20 30 EDEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C[C@@H](C(=O)OC)OC1=O ZINC000496677271 447846414 /nfs/dbraw/zinc/84/64/14/447846414.db2.gz ABODSEOQZZCPMG-HNNXBMFYSA-N 1 2 334.372 1.635 20 30 EDEDLO C#CC[N@@H+](CC(=O)N(CC)CC(=O)NC(C)C)Cc1ccccc1 ZINC000491181634 447948891 /nfs/dbraw/zinc/94/88/91/447948891.db2.gz VATIADOODVDYJM-UHFFFAOYSA-N 1 2 329.444 1.495 20 30 EDEDLO C#CC[N@H+](CC(=O)N(CC)CC(=O)NC(C)C)Cc1ccccc1 ZINC000491181634 447948897 /nfs/dbraw/zinc/94/88/97/447948897.db2.gz VATIADOODVDYJM-UHFFFAOYSA-N 1 2 329.444 1.495 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000497202622 447953270 /nfs/dbraw/zinc/95/32/70/447953270.db2.gz OHQFGQINSBPZQK-AWEZNQCLSA-N 1 2 347.419 1.854 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCO2)CC1 ZINC000491120855 447929557 /nfs/dbraw/zinc/92/95/57/447929557.db2.gz OCDXBICSVPMKHA-OAHLLOKOSA-N 1 2 331.464 1.510 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)nc1 ZINC000553043330 447969925 /nfs/dbraw/zinc/96/99/25/447969925.db2.gz QGWIWHVNCPJUMR-OAHLLOKOSA-N 1 2 336.399 1.061 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000570486270 448023946 /nfs/dbraw/zinc/02/39/46/448023946.db2.gz QXRRIDHOSNXWQL-UHFFFAOYSA-N 1 2 347.484 1.870 20 30 EDEDLO Cn1cc(C[N@H+](C)Cc2cnc3c(C#N)cnn3c2)c(C(F)(F)F)n1 ZINC000570632938 448038933 /nfs/dbraw/zinc/03/89/33/448038933.db2.gz MAWPMAISACWMMF-UHFFFAOYSA-N 1 2 349.320 1.985 20 30 EDEDLO Cn1cc(C[N@@H+](C)Cc2cnc3c(C#N)cnn3c2)c(C(F)(F)F)n1 ZINC000570632938 448038936 /nfs/dbraw/zinc/03/89/36/448038936.db2.gz MAWPMAISACWMMF-UHFFFAOYSA-N 1 2 349.320 1.985 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O ZINC000491524285 448053521 /nfs/dbraw/zinc/05/35/21/448053521.db2.gz KVJWKICJKGLCRB-UGSOOPFHSA-N 1 2 329.400 1.459 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O ZINC000491524285 448053526 /nfs/dbraw/zinc/05/35/26/448053526.db2.gz KVJWKICJKGLCRB-UGSOOPFHSA-N 1 2 329.400 1.459 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000531698390 448129331 /nfs/dbraw/zinc/12/93/31/448129331.db2.gz ZHCSMWGPGOWDBJ-CQSZACIVSA-N 1 2 345.399 1.115 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000531698390 448129334 /nfs/dbraw/zinc/12/93/34/448129334.db2.gz ZHCSMWGPGOWDBJ-CQSZACIVSA-N 1 2 345.399 1.115 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000507156693 448133564 /nfs/dbraw/zinc/13/35/64/448133564.db2.gz URQQOBLGQIOVEF-AWEZNQCLSA-N 1 2 347.444 1.110 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000507156693 448133566 /nfs/dbraw/zinc/13/35/66/448133566.db2.gz URQQOBLGQIOVEF-AWEZNQCLSA-N 1 2 347.444 1.110 20 30 EDEDLO C#CCN(CC)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000491806201 448134688 /nfs/dbraw/zinc/13/46/88/448134688.db2.gz QOMCBHUIPVRFHW-CQSZACIVSA-N 1 2 338.452 1.202 20 30 EDEDLO C#CCN(CC)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000491806201 448134694 /nfs/dbraw/zinc/13/46/94/448134694.db2.gz QOMCBHUIPVRFHW-CQSZACIVSA-N 1 2 338.452 1.202 20 30 EDEDLO C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1=O ZINC000571350572 448139079 /nfs/dbraw/zinc/13/90/79/448139079.db2.gz RLTJPVGKQOQZQG-ACJLOTCBSA-N 1 2 344.415 1.151 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000527163611 448174574 /nfs/dbraw/zinc/17/45/74/448174574.db2.gz UEIWFGMTPBPOCP-RHSMWYFYSA-N 1 2 326.400 1.077 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000527163611 448174578 /nfs/dbraw/zinc/17/45/78/448174578.db2.gz UEIWFGMTPBPOCP-RHSMWYFYSA-N 1 2 326.400 1.077 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000558564731 448197265 /nfs/dbraw/zinc/19/72/65/448197265.db2.gz JBNXPDSUZGCLLD-UHFFFAOYSA-N 1 2 342.490 1.346 20 30 EDEDLO COc1cc(/C=C/C(=O)NCCc2[nH]cc[nH+]2)ccc1OCC#N ZINC000492041438 448167418 /nfs/dbraw/zinc/16/74/18/448167418.db2.gz NHIKLDKVQLMFLH-HWKANZROSA-N 1 2 326.356 1.693 20 30 EDEDLO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000532320678 448235337 /nfs/dbraw/zinc/23/53/37/448235337.db2.gz GUEHGRLXTYPHAK-JTQLQIEISA-N 1 2 329.372 1.457 20 30 EDEDLO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000532320678 448235343 /nfs/dbraw/zinc/23/53/43/448235343.db2.gz GUEHGRLXTYPHAK-JTQLQIEISA-N 1 2 329.372 1.457 20 30 EDEDLO COc1ccc([C@@H](CNc2cc(C#N)ncn2)[NH+]2CCOCC2)cc1 ZINC000527379978 448221872 /nfs/dbraw/zinc/22/18/72/448221872.db2.gz STWQYPCXPBJJAD-QGZVFWFLSA-N 1 2 339.399 1.842 20 30 EDEDLO N#Cc1ccc(N2CCN(c3nc[nH+]c4c3OCCN4)CC2)c(F)c1 ZINC000591144485 448272177 /nfs/dbraw/zinc/27/21/77/448272177.db2.gz WVRQGUASZQLLIC-UHFFFAOYSA-N 1 2 340.362 1.618 20 30 EDEDLO N#Cc1ccc(N2CCN(c3[nH+]cnc4c3OCCN4)CC2)c(F)c1 ZINC000591144485 448272182 /nfs/dbraw/zinc/27/21/82/448272182.db2.gz WVRQGUASZQLLIC-UHFFFAOYSA-N 1 2 340.362 1.618 20 30 EDEDLO COC(=O)C1([N@H+](C)Cc2cnc3c(C#N)cnn3c2)CCCCC1 ZINC000582846416 448359027 /nfs/dbraw/zinc/35/90/27/448359027.db2.gz MGSWHWQUFXYMEW-UHFFFAOYSA-N 1 2 327.388 1.909 20 30 EDEDLO COC(=O)C1([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)CCCCC1 ZINC000582846416 448359032 /nfs/dbraw/zinc/35/90/32/448359032.db2.gz MGSWHWQUFXYMEW-UHFFFAOYSA-N 1 2 327.388 1.909 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CCN(c3nc(N)c4ccccc4[nH+]3)C2)nc1 ZINC000564512311 448330519 /nfs/dbraw/zinc/33/05/19/448330519.db2.gz FIUISXIIKILNIQ-CYBMUJFWSA-N 1 2 332.367 2.136 20 30 EDEDLO C[C@@H](C#N)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000583353018 448431617 /nfs/dbraw/zinc/43/16/17/448431617.db2.gz XWKZQMPQZQQCSL-WFASDCNBSA-N 1 2 331.420 1.293 20 30 EDEDLO C[C@@H](C#N)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000583353018 448431624 /nfs/dbraw/zinc/43/16/24/448431624.db2.gz XWKZQMPQZQQCSL-WFASDCNBSA-N 1 2 331.420 1.293 20 30 EDEDLO CC1(C)C[NH+](CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000516582943 448443721 /nfs/dbraw/zinc/44/37/21/448443721.db2.gz WUJXFMIBUWKHJO-INIZCTEOSA-N 1 2 340.427 1.512 20 30 EDEDLO N#Cc1cc(NCc2ccccc2OCC[NH+]2CCOCC2)ncn1 ZINC000573161567 448556992 /nfs/dbraw/zinc/55/69/92/448556992.db2.gz PMVQHYOZRQEIGX-UHFFFAOYSA-N 1 2 339.399 1.671 20 30 EDEDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CNc2c(C#N)cnn2C1 ZINC000517236724 448559996 /nfs/dbraw/zinc/55/99/96/448559996.db2.gz LHFAZBUMCIFOOK-CZUORRHYSA-N 1 2 339.399 1.643 20 30 EDEDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CNc2c(C#N)cnn2C1 ZINC000517236724 448559998 /nfs/dbraw/zinc/55/99/98/448559998.db2.gz LHFAZBUMCIFOOK-CZUORRHYSA-N 1 2 339.399 1.643 20 30 EDEDLO COc1ccc2ncc(C#N)c(NCC[N@@H+]3CCO[C@@H](C)C3)c2c1 ZINC000591904233 448560117 /nfs/dbraw/zinc/56/01/17/448560117.db2.gz CAUNPDBMCODZLS-ZDUSSCGKSA-N 1 2 326.400 1.670 20 30 EDEDLO COc1ccc2ncc(C#N)c(NCC[N@H+]3CCO[C@@H](C)C3)c2c1 ZINC000591904233 448560121 /nfs/dbraw/zinc/56/01/21/448560121.db2.gz CAUNPDBMCODZLS-ZDUSSCGKSA-N 1 2 326.400 1.670 20 30 EDEDLO N#CC[C@]1(O)CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000591906776 448562580 /nfs/dbraw/zinc/56/25/80/448562580.db2.gz YBPFWDMQGSPQMM-KRWDZBQOSA-N 1 2 329.404 1.242 20 30 EDEDLO CCOC[C@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000528724774 448646393 /nfs/dbraw/zinc/64/63/93/448646393.db2.gz ZRSLMTWLWYXSKC-SJLPKXTDSA-N 1 2 334.416 1.230 20 30 EDEDLO CCOC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000528724774 448646395 /nfs/dbraw/zinc/64/63/95/448646395.db2.gz ZRSLMTWLWYXSKC-SJLPKXTDSA-N 1 2 334.416 1.230 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000573448589 448631379 /nfs/dbraw/zinc/63/13/79/448631379.db2.gz INEAXHGKSWCQHM-LBTNJELSSA-N 1 2 329.400 1.521 20 30 EDEDLO Cn1c2nnc(C[NH+]3CCC(CC#N)CC3)n2c2ccccc2c1=O ZINC000541953057 448704042 /nfs/dbraw/zinc/70/40/42/448704042.db2.gz BWYINNVUFKNVGV-UHFFFAOYSA-N 1 2 336.399 1.707 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000579070655 448704990 /nfs/dbraw/zinc/70/49/90/448704990.db2.gz XGHKSWCSEUJQBM-OAHLLOKOSA-N 1 2 347.463 1.018 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000592147964 448707891 /nfs/dbraw/zinc/70/78/91/448707891.db2.gz UVBWROMRCCSOHA-CQSZACIVSA-N 1 2 327.306 1.994 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000592147964 448707895 /nfs/dbraw/zinc/70/78/95/448707895.db2.gz UVBWROMRCCSOHA-CQSZACIVSA-N 1 2 327.306 1.994 20 30 EDEDLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147616 448708046 /nfs/dbraw/zinc/70/80/46/448708046.db2.gz MQUMIQOUOCZVJZ-CQSZACIVSA-N 1 2 327.837 1.710 20 30 EDEDLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147616 448708047 /nfs/dbraw/zinc/70/80/47/448708047.db2.gz MQUMIQOUOCZVJZ-CQSZACIVSA-N 1 2 327.837 1.710 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149780 448710917 /nfs/dbraw/zinc/71/09/17/448710917.db2.gz WHXGLAKBUNDPED-YVEFUNNKSA-N 1 2 330.388 1.322 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149780 448710920 /nfs/dbraw/zinc/71/09/20/448710920.db2.gz WHXGLAKBUNDPED-YVEFUNNKSA-N 1 2 330.388 1.322 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152407 448712998 /nfs/dbraw/zinc/71/29/98/448712998.db2.gz XETOEGNCHCTMIL-KDOFPFPSSA-N 1 2 344.390 1.811 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152407 448713001 /nfs/dbraw/zinc/71/30/01/448713001.db2.gz XETOEGNCHCTMIL-KDOFPFPSSA-N 1 2 344.390 1.811 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000573881364 448735152 /nfs/dbraw/zinc/73/51/52/448735152.db2.gz XNTDNMCDYKCJAJ-LSDHHAIUSA-N 1 2 325.453 1.378 20 30 EDEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567994804 448796253 /nfs/dbraw/zinc/79/62/53/448796253.db2.gz VPOBPEXOESTBNA-AWEZNQCLSA-N 1 2 331.376 1.702 20 30 EDEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567994804 448796259 /nfs/dbraw/zinc/79/62/59/448796259.db2.gz VPOBPEXOESTBNA-AWEZNQCLSA-N 1 2 331.376 1.702 20 30 EDEDLO CN(C)C[C@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000574403533 448867503 /nfs/dbraw/zinc/86/75/03/448867503.db2.gz DKGWOPRAQHFGKL-INIZCTEOSA-N 1 2 342.359 1.354 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000579905216 448904067 /nfs/dbraw/zinc/90/40/67/448904067.db2.gz UHVUIKJOGBNTLE-QGZVFWFLSA-N 1 2 345.403 1.769 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CN[C@H](CO)c1c(Cl)cccc1Cl ZINC000582063044 449002868 /nfs/dbraw/zinc/00/28/68/449002868.db2.gz NAGHWQHVXKDLRL-BXUZGUMPSA-N 1 2 346.258 1.823 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CN[C@H](CO)c1c(Cl)cccc1Cl ZINC000582063044 449002872 /nfs/dbraw/zinc/00/28/72/449002872.db2.gz NAGHWQHVXKDLRL-BXUZGUMPSA-N 1 2 346.258 1.823 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000589406745 449014053 /nfs/dbraw/zinc/01/40/53/449014053.db2.gz YSJRVPQPSGFWCO-AWEZNQCLSA-N 1 2 341.346 1.696 20 30 EDEDLO COc1cccc(OCC[NH+]2CCN(C(=O)CC3(C#N)CC3)CC2)c1 ZINC000590307375 449127650 /nfs/dbraw/zinc/12/76/50/449127650.db2.gz LKNVMACRQYNZCX-UHFFFAOYSA-N 1 2 343.427 1.912 20 30 EDEDLO CC(=O)N[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)c1ccc(C)cc1 ZINC000593155574 449154342 /nfs/dbraw/zinc/15/43/42/449154342.db2.gz FJZXVSRZQGMOJM-SJLPKXTDSA-N 1 2 330.432 1.522 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(O)(CO)CC2)c1 ZINC000595734832 449137917 /nfs/dbraw/zinc/13/79/17/449137917.db2.gz BWBHNVWQLYCECA-UHFFFAOYSA-N 1 2 345.443 1.369 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C[C@H]2COCCO2)c1C ZINC000595743835 449143144 /nfs/dbraw/zinc/14/31/44/449143144.db2.gz RDNCNSOTIZLXLD-KRWDZBQOSA-N 1 2 345.443 1.897 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2COCCO2)c1C ZINC000595743835 449143148 /nfs/dbraw/zinc/14/31/48/449143148.db2.gz RDNCNSOTIZLXLD-KRWDZBQOSA-N 1 2 345.443 1.897 20 30 EDEDLO CC(C)(C(=O)N1CCN(c2ccsc2C#N)CC1)c1c[nH+]c[nH]1 ZINC000597938691 449150328 /nfs/dbraw/zinc/15/03/28/449150328.db2.gz IOLPMJVOWKPRDH-UHFFFAOYSA-N 1 2 329.429 1.969 20 30 EDEDLO CCOCc1ccc(CNC(=O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611173720 449199142 /nfs/dbraw/zinc/19/91/42/449199142.db2.gz HYBXRVZJTWFWHQ-UHFFFAOYSA-N 1 2 344.459 1.371 20 30 EDEDLO C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCN(CCC#N)CC1 ZINC000611173776 449199831 /nfs/dbraw/zinc/19/98/31/449199831.db2.gz KCPAAAQWENLRRU-CQSZACIVSA-N 1 2 334.851 1.876 20 30 EDEDLO C[C@@]1(C#N)CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000595840466 449201340 /nfs/dbraw/zinc/20/13/40/449201340.db2.gz OFJGHHSLTAHCNT-KRWDZBQOSA-N 1 2 332.473 1.628 20 30 EDEDLO CCN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H](C)C#N ZINC000595813850 449182270 /nfs/dbraw/zinc/18/22/70/449182270.db2.gz XJMSRMXAVHHBSN-MRXNPFEDSA-N 1 2 344.459 1.369 20 30 EDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597997520 449182552 /nfs/dbraw/zinc/18/25/52/449182552.db2.gz SRYSLIQRFNRERL-ARFHVFGLSA-N 1 2 329.444 1.962 20 30 EDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597997520 449182558 /nfs/dbraw/zinc/18/25/58/449182558.db2.gz SRYSLIQRFNRERL-ARFHVFGLSA-N 1 2 329.444 1.962 20 30 EDEDLO CS(=O)(=O)CC1(C[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC000611140368 449184245 /nfs/dbraw/zinc/18/42/45/449184245.db2.gz WZEYVQRYTOQHNU-UHFFFAOYSA-N 1 2 333.457 1.505 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000604510548 449241156 /nfs/dbraw/zinc/24/11/56/449241156.db2.gz AXOAEEAWIQAQNB-UHFFFAOYSA-N 1 2 339.399 1.408 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595903365 449242457 /nfs/dbraw/zinc/24/24/57/449242457.db2.gz PPFNGJDAXBYPOJ-BFUOFWGJSA-N 1 2 342.443 1.587 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595903365 449242462 /nfs/dbraw/zinc/24/24/62/449242462.db2.gz PPFNGJDAXBYPOJ-BFUOFWGJSA-N 1 2 342.443 1.587 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000593887370 449265007 /nfs/dbraw/zinc/26/50/07/449265007.db2.gz RKQHJMPBGQYHHE-UHFFFAOYSA-N 1 2 331.416 1.288 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1C#N ZINC000600309886 449312935 /nfs/dbraw/zinc/31/29/35/449312935.db2.gz DHLDTJCDYQYBMY-NSHDSACASA-N 1 2 334.445 1.842 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1C#N ZINC000600309886 449312940 /nfs/dbraw/zinc/31/29/40/449312940.db2.gz DHLDTJCDYQYBMY-NSHDSACASA-N 1 2 334.445 1.842 20 30 EDEDLO COCCOCC[NH+]1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000593516846 449319831 /nfs/dbraw/zinc/31/98/31/449319831.db2.gz HQXJDAVOVMSSCT-UHFFFAOYSA-N 1 2 334.376 1.251 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594012485 449322301 /nfs/dbraw/zinc/32/23/01/449322301.db2.gz FSPSRJMINIXTAN-JKSUJKDBSA-N 1 2 329.444 1.916 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCC2(C#N)CCCC2)CC1 ZINC000593428292 449279997 /nfs/dbraw/zinc/27/99/97/449279997.db2.gz ZDSPWDQXPUDWBE-UHFFFAOYSA-N 1 2 349.479 1.266 20 30 EDEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2cc(C#N)cnn2)c2ccc(Cl)cc2)C1 ZINC000596180214 449400272 /nfs/dbraw/zinc/40/02/72/449400272.db2.gz YVAXELCOXNRBJR-WBVHZDCISA-N 1 2 343.818 2.485 20 30 EDEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2cc(C#N)cnn2)c2ccc(Cl)cc2)C1 ZINC000596180214 449400280 /nfs/dbraw/zinc/40/02/80/449400280.db2.gz YVAXELCOXNRBJR-WBVHZDCISA-N 1 2 343.818 2.485 20 30 EDEDLO N#Cc1csc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1 ZINC000600679760 449488590 /nfs/dbraw/zinc/48/85/90/449488590.db2.gz AMBNXICIIYOLAY-HNNXBMFYSA-N 1 2 342.424 1.646 20 30 EDEDLO N#Cc1csc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1 ZINC000600679760 449488596 /nfs/dbraw/zinc/48/85/96/449488596.db2.gz AMBNXICIIYOLAY-HNNXBMFYSA-N 1 2 342.424 1.646 20 30 EDEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000602373325 449548284 /nfs/dbraw/zinc/54/82/84/449548284.db2.gz QVSRJIIFYMFKKW-QGZVFWFLSA-N 1 2 330.432 1.809 20 30 EDEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000602373325 449548289 /nfs/dbraw/zinc/54/82/89/449548289.db2.gz QVSRJIIFYMFKKW-QGZVFWFLSA-N 1 2 330.432 1.809 20 30 EDEDLO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](CC#N)C3)C2=O)cn1 ZINC000594659297 449613465 /nfs/dbraw/zinc/61/34/65/449613465.db2.gz BOGAADNZLZNLQR-TZMCWYRMSA-N 1 2 328.372 1.348 20 30 EDEDLO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](CC#N)C3)C2=O)cn1 ZINC000594659297 449613469 /nfs/dbraw/zinc/61/34/69/449613469.db2.gz BOGAADNZLZNLQR-TZMCWYRMSA-N 1 2 328.372 1.348 20 30 EDEDLO Cc1c(Br)cncc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000598836273 449615143 /nfs/dbraw/zinc/61/51/43/449615143.db2.gz FHZMJYVBVXJDMV-CYBMUJFWSA-N 1 2 325.210 1.726 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000596888695 449707534 /nfs/dbraw/zinc/70/75/34/449707534.db2.gz ZIZILRFUYVGHKP-HUUCEWRRSA-N 1 2 336.399 1.139 20 30 EDEDLO COc1cccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000597021573 449770318 /nfs/dbraw/zinc/77/03/18/449770318.db2.gz NBPHTKPNJCEXIV-UHFFFAOYSA-N 1 2 331.416 1.692 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCc2cc(F)ccc21 ZINC000597022975 449771698 /nfs/dbraw/zinc/77/16/98/449771698.db2.gz RNVQXUAFDXXTHK-SFHVURJKSA-N 1 2 345.418 1.930 20 30 EDEDLO Cc1csc([C@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000597023442 449772218 /nfs/dbraw/zinc/77/22/18/449772218.db2.gz WROPKUDINREQFX-AWEZNQCLSA-N 1 2 336.461 1.630 20 30 EDEDLO CCCn1nccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000597027907 449775236 /nfs/dbraw/zinc/77/52/36/449775236.db2.gz SYVWJXJCLALUMG-AWEZNQCLSA-N 1 2 325.420 1.665 20 30 EDEDLO CCCn1nccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000597027907 449775241 /nfs/dbraw/zinc/77/52/41/449775241.db2.gz SYVWJXJCLALUMG-AWEZNQCLSA-N 1 2 325.420 1.665 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000601282903 449796638 /nfs/dbraw/zinc/79/66/38/449796638.db2.gz IUXAQGIFGRZJAA-UHFFFAOYSA-N 1 2 341.408 1.006 20 30 EDEDLO COC(=O)c1ccc(NC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602858336 449868073 /nfs/dbraw/zinc/86/80/73/449868073.db2.gz AESJTOVAXKOXQH-KBPBESRZSA-N 1 2 344.415 1.330 20 30 EDEDLO CCOc1cccc(CNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602859364 449869311 /nfs/dbraw/zinc/86/93/11/449869311.db2.gz FZUPISGVQWFUFI-IYBDPMFKSA-N 1 2 344.459 1.620 20 30 EDEDLO CCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602859364 449869318 /nfs/dbraw/zinc/86/93/18/449869318.db2.gz FZUPISGVQWFUFI-IYBDPMFKSA-N 1 2 344.459 1.620 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602860000 449869700 /nfs/dbraw/zinc/86/97/00/449869700.db2.gz HJQXVLPVRTUMCK-KFWWJZLASA-N 1 2 330.432 1.940 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)CC#N)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000602866062 449874919 /nfs/dbraw/zinc/87/49/19/449874919.db2.gz YBBASWCQVKOVND-DTWKUNHWSA-N 1 2 342.321 1.439 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602880950 449888461 /nfs/dbraw/zinc/88/84/61/449888461.db2.gz OQZIPEKOAZYKHP-INIZCTEOSA-N 1 2 330.413 1.892 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602880950 449888466 /nfs/dbraw/zinc/88/84/66/449888466.db2.gz OQZIPEKOAZYKHP-INIZCTEOSA-N 1 2 330.413 1.892 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC(C[NH+]3CCOCC3)C2)CCCCC1 ZINC000601418575 449934395 /nfs/dbraw/zinc/93/43/95/449934395.db2.gz WIWYFCJKSKIALY-UHFFFAOYSA-N 1 2 341.477 1.054 20 30 EDEDLO N#CCN1CCC(Nc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000617950169 449946086 /nfs/dbraw/zinc/94/60/86/449946086.db2.gz HOXUDUIZYHOQAV-OAHLLOKOSA-N 1 2 330.436 1.228 20 30 EDEDLO N#CCN1CCC(Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000617950169 449946092 /nfs/dbraw/zinc/94/60/92/449946092.db2.gz HOXUDUIZYHOQAV-OAHLLOKOSA-N 1 2 330.436 1.228 20 30 EDEDLO CN1CCN(S(=O)(=O)c2ccccc2CC#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000601398434 449914213 /nfs/dbraw/zinc/91/42/13/449914213.db2.gz GBAUUXODRDATFO-CQSZACIVSA-N 1 2 345.428 1.153 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595219604 449954524 /nfs/dbraw/zinc/95/45/24/449954524.db2.gz KVMQGFLSBFICSG-JTQLQIEISA-N 1 2 327.344 1.116 20 30 EDEDLO CCN1C[C@@H](C[N@H+](C)CC(=O)NC2(C#N)CCC2)Oc2ccccc21 ZINC000615223444 450008075 /nfs/dbraw/zinc/00/80/75/450008075.db2.gz OPEAGHQECMMJPL-OAHLLOKOSA-N 1 2 342.443 1.768 20 30 EDEDLO CCN1C[C@@H](C[N@@H+](C)CC(=O)NC2(C#N)CCC2)Oc2ccccc21 ZINC000615223444 450008081 /nfs/dbraw/zinc/00/80/81/450008081.db2.gz OPEAGHQECMMJPL-OAHLLOKOSA-N 1 2 342.443 1.768 20 30 EDEDLO Cc1[nH+]c2ccc(C(=O)N3C[C@@H](C)N(CC#N)[C@@H](C)C3)cc2n1C ZINC000603087654 450057580 /nfs/dbraw/zinc/05/75/80/450057580.db2.gz BGPWZNRUIJBIDB-BETUJISGSA-N 1 2 325.416 1.940 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000610161100 450148719 /nfs/dbraw/zinc/14/87/19/450148719.db2.gz WDHYCBLQYQISSG-HNNXBMFYSA-N 1 2 346.431 1.741 20 30 EDEDLO CCNC(=O)C[NH+]1CCN(c2c(C#N)cnc3c(C)cccc32)CC1 ZINC000610245738 450161308 /nfs/dbraw/zinc/16/13/08/450161308.db2.gz PDYDXRWWRQBQSM-UHFFFAOYSA-N 1 2 337.427 1.673 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cccc(C#N)c1 ZINC000599705102 450167549 /nfs/dbraw/zinc/16/75/49/450167549.db2.gz AZIGJBFPBKCANK-SFHVURJKSA-N 1 2 344.415 1.296 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1cccc(C#N)c1 ZINC000599705102 450167553 /nfs/dbraw/zinc/16/75/53/450167553.db2.gz AZIGJBFPBKCANK-SFHVURJKSA-N 1 2 344.415 1.296 20 30 EDEDLO C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000595516875 450201499 /nfs/dbraw/zinc/20/14/99/450201499.db2.gz VWUGRFNQBXQOSW-HUUCEWRRSA-N 1 2 330.432 1.509 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597709420 450212524 /nfs/dbraw/zinc/21/25/24/450212524.db2.gz JRAQMICFTISUKM-WBVHZDCISA-N 1 2 343.427 1.649 20 30 EDEDLO N#C[C@H](CO)NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000597740072 450230107 /nfs/dbraw/zinc/23/01/07/450230107.db2.gz DJBTUNZFDVLRJM-CQSZACIVSA-N 1 2 340.383 1.157 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000619717345 450318356 /nfs/dbraw/zinc/31/83/56/450318356.db2.gz BJMVEFBRGOQBBE-MRXNPFEDSA-N 1 2 337.464 1.123 20 30 EDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000619719333 450319688 /nfs/dbraw/zinc/31/96/88/450319688.db2.gz PUFJCAVWNXKUBU-HNNXBMFYSA-N 1 2 347.415 1.498 20 30 EDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000619719333 450319693 /nfs/dbraw/zinc/31/96/93/450319693.db2.gz PUFJCAVWNXKUBU-HNNXBMFYSA-N 1 2 347.415 1.498 20 30 EDEDLO Cc1c(C[N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)cnn1C ZINC000625380580 450323730 /nfs/dbraw/zinc/32/37/30/450323730.db2.gz IACPUPNGWCQJAC-UHFFFAOYSA-N 1 2 336.395 1.460 20 30 EDEDLO Cc1c(C[N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)cnn1C ZINC000625380580 450323735 /nfs/dbraw/zinc/32/37/35/450323735.db2.gz IACPUPNGWCQJAC-UHFFFAOYSA-N 1 2 336.395 1.460 20 30 EDEDLO CCC(=O)N[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000603696977 450342700 /nfs/dbraw/zinc/34/27/00/450342700.db2.gz VOSWGDSIRCZDTH-AWEZNQCLSA-N 1 2 328.416 1.117 20 30 EDEDLO N#CCC1(O)CN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000616170469 450342966 /nfs/dbraw/zinc/34/29/66/450342966.db2.gz JWJZZBHNKFQALU-UHFFFAOYSA-N 1 2 330.388 1.011 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000603875670 450363812 /nfs/dbraw/zinc/36/38/12/450363812.db2.gz CQMLHFYDSRBYRW-UHFFFAOYSA-N 1 2 329.404 1.168 20 30 EDEDLO C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000613935524 450365066 /nfs/dbraw/zinc/36/50/66/450365066.db2.gz HYDPTLNGTOKMAF-ZIAGYGMSSA-N 1 2 329.466 1.099 20 30 EDEDLO C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000613935524 450365071 /nfs/dbraw/zinc/36/50/71/450365071.db2.gz HYDPTLNGTOKMAF-ZIAGYGMSSA-N 1 2 329.466 1.099 20 30 EDEDLO N#CCc1ccccc1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000619572091 450508915 /nfs/dbraw/zinc/50/89/15/450508915.db2.gz NAVHXARCPQJXEY-UHFFFAOYSA-N 1 2 340.408 1.921 20 30 EDEDLO C=CC(C)(C)CCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000626416391 450730503 /nfs/dbraw/zinc/73/05/03/450730503.db2.gz VRRCSYPUXLQRES-UHFFFAOYSA-N 1 2 335.452 1.939 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000636568441 451311963 /nfs/dbraw/zinc/31/19/63/451311963.db2.gz HCUABLYITLJKRE-UHFFFAOYSA-N 1 2 344.459 1.885 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1=O ZINC000635890993 451334332 /nfs/dbraw/zinc/33/43/32/451334332.db2.gz DQYFBVKJBAHBPT-HNNXBMFYSA-N 1 2 340.383 1.437 20 30 EDEDLO C=C(C)C[C@H]1NC(=O)N(C[C@]2([NH+]3CCOCC3)CCSC2)C1=O ZINC000630973301 451517674 /nfs/dbraw/zinc/51/76/74/451517674.db2.gz ZFPSMTNVCQDRDF-CZUORRHYSA-N 1 2 339.461 1.081 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NCCc2ccc(F)cc2)nn1 ZINC000640829426 451614519 /nfs/dbraw/zinc/61/45/19/451614519.db2.gz GDZOFVRQYBFYGW-CQSZACIVSA-N 1 2 343.406 1.450 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(OC)cc2)nn1 ZINC000640882168 451670817 /nfs/dbraw/zinc/67/08/17/451670817.db2.gz QCNQUUZNTZOIFB-ZDUSSCGKSA-N 1 2 327.388 1.599 20 30 EDEDLO C=C(C)[C@H](CO)n1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000641085058 451746935 /nfs/dbraw/zinc/74/69/35/451746935.db2.gz ZEASKUBPEIWIDV-SFHVURJKSA-N 1 2 327.432 1.710 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ccc(S(C)(=O)=O)cc2)nn1 ZINC000641134036 451758861 /nfs/dbraw/zinc/75/88/61/451758861.db2.gz HZAORXHWHNVKCE-ZDUSSCGKSA-N 1 2 332.429 1.404 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000651839269 452109487 /nfs/dbraw/zinc/10/94/87/452109487.db2.gz DSRRWWFAQBXABD-DOMZBBRYSA-N 1 2 328.372 1.280 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000645135657 452171339 /nfs/dbraw/zinc/17/13/39/452171339.db2.gz KUJXMSYTWSJLLS-JKSUJKDBSA-N 1 2 326.400 1.583 20 30 EDEDLO C=CCOCCCNC(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000658523626 453076131 /nfs/dbraw/zinc/07/61/31/453076131.db2.gz XXRTYZBYIMGMFY-UHFFFAOYSA-N 1 2 349.431 1.374 20 30 EDEDLO C=CCNC(=O)CNC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651328117 453472674 /nfs/dbraw/zinc/47/26/74/453472674.db2.gz QGVBCWGSJZVWNU-HNNXBMFYSA-N 1 2 341.415 1.305 20 30 EDEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)[C@H](C)COC ZINC000661242212 453772099 /nfs/dbraw/zinc/77/20/99/453772099.db2.gz IVHQCRILLHBNLA-CQSZACIVSA-N 1 2 333.432 1.898 20 30 EDEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)[C@H](C)COC ZINC000661242212 453772104 /nfs/dbraw/zinc/77/21/04/453772104.db2.gz IVHQCRILLHBNLA-CQSZACIVSA-N 1 2 333.432 1.898 20 30 EDEDLO C=C[C@@H](O)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000668961506 491018763 /nfs/dbraw/zinc/01/87/63/491018763.db2.gz AJKOCDFIMPQRLB-OAHLLOKOSA-N 1 2 348.834 1.569 20 30 EDEDLO C=C[C@@H](O)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000668961506 491018764 /nfs/dbraw/zinc/01/87/64/491018764.db2.gz AJKOCDFIMPQRLB-OAHLLOKOSA-N 1 2 348.834 1.569 20 30 EDEDLO C=CC[N@@H+](CCC(=O)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000135187217 526271465 /nfs/dbraw/zinc/27/14/65/526271465.db2.gz FOEKCSBZKPCRRM-MRXNPFEDSA-N 1 2 336.457 1.715 20 30 EDEDLO C=CC[N@H+](CCC(=O)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000135187217 526271470 /nfs/dbraw/zinc/27/14/70/526271470.db2.gz FOEKCSBZKPCRRM-MRXNPFEDSA-N 1 2 336.457 1.715 20 30 EDEDLO CC#CCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000135000052 526373404 /nfs/dbraw/zinc/37/34/04/526373404.db2.gz ONXWDNSABARXQL-UHFFFAOYSA-N 1 2 328.416 1.412 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251479 528616654 /nfs/dbraw/zinc/61/66/54/528616654.db2.gz DDFWHSVWCIPGBR-DOTOQJQBSA-N 1 2 342.443 1.732 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251479 528616658 /nfs/dbraw/zinc/61/66/58/528616658.db2.gz DDFWHSVWCIPGBR-DOTOQJQBSA-N 1 2 342.443 1.732 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106371416 528624123 /nfs/dbraw/zinc/62/41/23/528624123.db2.gz DYGGPJJDZIUCHJ-AWEZNQCLSA-N 1 2 331.464 1.910 20 30 EDEDLO CC[C@@H](C(=O)OC)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000352661238 535447128 /nfs/dbraw/zinc/44/71/28/535447128.db2.gz RJLMXEUTMHLUPS-INIZCTEOSA-N 1 2 331.416 1.506 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](C)C1 ZINC000352598186 535725337 /nfs/dbraw/zinc/72/53/37/535725337.db2.gz VVDKSJSPITWGHM-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](C)C1 ZINC000352598186 535725339 /nfs/dbraw/zinc/72/53/39/535725339.db2.gz VVDKSJSPITWGHM-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000742136778 579436234 /nfs/dbraw/zinc/43/62/34/579436234.db2.gz YJUQMQPFQBNLTF-MSOLQXFVSA-N 1 2 339.439 1.704 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000742136778 579436235 /nfs/dbraw/zinc/43/62/35/579436235.db2.gz YJUQMQPFQBNLTF-MSOLQXFVSA-N 1 2 339.439 1.704 20 30 EDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)NCc1cccc(C#N)c1 ZINC000742365929 579449999 /nfs/dbraw/zinc/44/99/99/579449999.db2.gz XDUFXRGEQPMDOE-ZDUSSCGKSA-N 1 2 332.404 1.734 20 30 EDEDLO C#CCCCNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000743970401 579495492 /nfs/dbraw/zinc/49/54/92/579495492.db2.gz HIHFFHFLNGZQRS-HNNXBMFYSA-N 1 2 343.427 1.548 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(F)cc(OC)cc2F)CC1 ZINC000726794004 578361389 /nfs/dbraw/zinc/36/13/89/578361389.db2.gz XLLDNAOJWBFLHQ-UHFFFAOYSA-N 1 2 344.383 1.303 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)nc1 ZINC000728859626 578553172 /nfs/dbraw/zinc/55/31/72/578553172.db2.gz WAJSHLXYMQCJPJ-UHFFFAOYSA-N 1 2 348.406 1.120 20 30 EDEDLO C=CCOc1ccccc1CNC(=S)NCC[NH+]1CCOCC1 ZINC000731945151 578684156 /nfs/dbraw/zinc/68/41/56/578684156.db2.gz GMVXFEWHLLPXRQ-UHFFFAOYSA-N 1 2 335.473 1.548 20 30 EDEDLO CCOC[C@@H](O)C[NH+]1CCN(c2snc(Cl)c2C#N)CC1 ZINC000736287627 578972325 /nfs/dbraw/zinc/97/23/25/578972325.db2.gz FYYSPMAKEDKQCZ-JTQLQIEISA-N 1 2 330.841 1.188 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cnc(C2CC2)s1 ZINC000761801282 580061951 /nfs/dbraw/zinc/06/19/51/580061951.db2.gz LZHUOAGBRIWVBT-UHFFFAOYSA-N 1 2 339.490 1.151 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000746095353 579571753 /nfs/dbraw/zinc/57/17/53/579571753.db2.gz MYGBCZKKWIYITN-UHFFFAOYSA-N 1 2 338.367 1.520 20 30 EDEDLO N#Cc1ccc(NC(=S)NC[C@@H]2C[NH+]3CCN2CC3)cc1Cl ZINC000746544597 579600298 /nfs/dbraw/zinc/60/02/98/579600298.db2.gz NLPXWBBPQLYUEU-CYBMUJFWSA-N 1 2 335.864 1.498 20 30 EDEDLO CN1CCCc2cc(C=[NH+]Nc3ccc(S(N)(=O)=O)cn3)ccc21 ZINC000748034385 579667063 /nfs/dbraw/zinc/66/70/63/579667063.db2.gz QWBSWXKGRRTQCI-UHFFFAOYSA-N 1 2 345.428 1.557 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000748453747 579686884 /nfs/dbraw/zinc/68/68/84/579686884.db2.gz AQDNECYFGLZOQR-SWLSCSKDSA-N 1 2 331.372 1.149 20 30 EDEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000748453747 579686886 /nfs/dbraw/zinc/68/68/86/579686886.db2.gz AQDNECYFGLZOQR-SWLSCSKDSA-N 1 2 331.372 1.149 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCCc3c(C)cc(C)cc32)CC1 ZINC000748813030 579700848 /nfs/dbraw/zinc/70/08/48/579700848.db2.gz OPLZNJQEFGEUAY-UHFFFAOYSA-N 1 2 325.456 1.833 20 30 EDEDLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000749465337 579728096 /nfs/dbraw/zinc/72/80/96/579728096.db2.gz ARYDVZICVSVBKM-CYBMUJFWSA-N 1 2 340.383 1.448 20 30 EDEDLO COC(=O)C[C@H]1CCC[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000749465337 579728097 /nfs/dbraw/zinc/72/80/97/579728097.db2.gz ARYDVZICVSVBKM-CYBMUJFWSA-N 1 2 340.383 1.448 20 30 EDEDLO COc1cccc([C@H](C#N)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1OC ZINC000750865077 579784627 /nfs/dbraw/zinc/78/46/27/579784627.db2.gz ZFXDFVBFIOGKRT-DOMZBBRYSA-N 1 2 340.383 1.844 20 30 EDEDLO N#Cc1c(F)cccc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000751066413 579793472 /nfs/dbraw/zinc/79/34/72/579793472.db2.gz RGLUKNRXUATSDT-UHFFFAOYSA-N 1 2 334.376 1.920 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000753843565 579889384 /nfs/dbraw/zinc/88/93/84/579889384.db2.gz VXOKESPWULXZOA-CYBMUJFWSA-N 1 2 330.388 1.499 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccnc(N(C)C)c1 ZINC000754062388 579895243 /nfs/dbraw/zinc/89/52/43/579895243.db2.gz RSDJJIRZZPESGJ-AWEZNQCLSA-N 1 2 337.431 1.520 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccnc(N(C)C)c1 ZINC000754062388 579895244 /nfs/dbraw/zinc/89/52/44/579895244.db2.gz RSDJJIRZZPESGJ-AWEZNQCLSA-N 1 2 337.431 1.520 20 30 EDEDLO C#CCN1CCN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000755317370 579925031 /nfs/dbraw/zinc/92/50/31/579925031.db2.gz MKPVBYFOEYKUSG-UHFFFAOYSA-N 1 2 349.438 1.788 20 30 EDEDLO C#CCNC(=S)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000758216500 579977043 /nfs/dbraw/zinc/97/70/43/579977043.db2.gz UKZJAPDUKLSHIC-INIZCTEOSA-N 1 2 331.485 1.717 20 30 EDEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000763399632 580099440 /nfs/dbraw/zinc/09/94/40/580099440.db2.gz WUMQCDMXYFLJBE-GOSISDBHSA-N 1 2 342.443 1.815 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCO1 ZINC000773156677 580328683 /nfs/dbraw/zinc/32/86/83/580328683.db2.gz CBXATMSKBPHMSH-LSDHHAIUSA-N 1 2 325.372 1.247 20 30 EDEDLO C#C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000773230451 580331265 /nfs/dbraw/zinc/33/12/65/580331265.db2.gz MUAYSGJFUXWAAP-HZPDHXFCSA-N 1 2 328.416 1.530 20 30 EDEDLO C#C[C@@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@@H]1CCCO1 ZINC000773348752 580334942 /nfs/dbraw/zinc/33/49/42/580334942.db2.gz BEASLKBQINTECR-CVEARBPZSA-N 1 2 326.400 1.665 20 30 EDEDLO C#C[C@H](C)NC(=O)CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000775387585 580389939 /nfs/dbraw/zinc/38/99/39/580389939.db2.gz DXJYOOLXBIETDY-AWEZNQCLSA-N 1 2 349.456 1.557 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000775632776 580395766 /nfs/dbraw/zinc/39/57/66/580395766.db2.gz PAVYXSQIRBNXPI-NRFANRHFSA-N 1 2 325.865 1.708 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cc(O)cc(C#N)c3)CC2)S1 ZINC000776350080 580415431 /nfs/dbraw/zinc/41/54/31/580415431.db2.gz HRIHOVDEKBDGQF-NSHDSACASA-N 1 2 330.413 1.513 20 30 EDEDLO N#Cc1ccc(N2CCC(NC(=O)c3cccc4[nH+]ccn43)CC2)nc1 ZINC000776884823 580430512 /nfs/dbraw/zinc/43/05/12/580430512.db2.gz QKBFRDYUDZYRTE-UHFFFAOYSA-N 1 2 346.394 2.000 20 30 EDEDLO CC(C)[C@@H](C(=O)OC1CCN(CC#N)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000778684987 580470179 /nfs/dbraw/zinc/47/01/79/580470179.db2.gz CODFHCKMPJXNFS-UXLLHSPISA-N 1 2 337.464 1.651 20 30 EDEDLO CC(C)[C@@H](C(=O)OC1CCN(CC#N)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000778684987 580470180 /nfs/dbraw/zinc/47/01/80/580470180.db2.gz CODFHCKMPJXNFS-UXLLHSPISA-N 1 2 337.464 1.651 20 30 EDEDLO COc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 ZINC000779344991 580484094 /nfs/dbraw/zinc/48/40/94/580484094.db2.gz ZQVALATYVOHQLL-KGLIPLIRSA-N 1 2 332.404 1.939 20 30 EDEDLO Nc1ncc(C=[NH+]Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 ZINC000781589193 580553012 /nfs/dbraw/zinc/55/30/12/580553012.db2.gz FLJSRJOWUHSLOW-UHFFFAOYSA-N 1 2 345.306 1.798 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@@H](/N=C\c2ccc(O)c(O)c2O)C1=O ZINC000782881355 580587520 /nfs/dbraw/zinc/58/75/20/580587520.db2.gz TUQRFXANRPTAPG-WDDBSPGISA-N 1 2 344.371 1.147 20 30 EDEDLO C#CCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000784551470 580623729 /nfs/dbraw/zinc/62/37/29/580623729.db2.gz ZZWOAMCWDSKERJ-OAHLLOKOSA-N 1 2 330.363 1.598 20 30 EDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cnn(CC#N)c1 ZINC000793287620 580840848 /nfs/dbraw/zinc/84/08/48/580840848.db2.gz FSAIBUJAKJSMEF-UHFFFAOYSA-N 1 2 330.298 1.982 20 30 EDEDLO CCOC(=O)[C@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793468877 580844857 /nfs/dbraw/zinc/84/48/57/580844857.db2.gz NKJAZSRTXWLOKX-HNNXBMFYSA-N 1 2 343.427 1.831 20 30 EDEDLO CCOC(=O)[C@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793468877 580844858 /nfs/dbraw/zinc/84/48/58/580844858.db2.gz NKJAZSRTXWLOKX-HNNXBMFYSA-N 1 2 343.427 1.831 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3C[C@]4(CCOC4)CC3=O)C2)nc1 ZINC000793593812 580848560 /nfs/dbraw/zinc/84/85/60/580848560.db2.gz YHBUCBFBDKAVGP-YJBOKZPZSA-N 1 2 342.399 1.003 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3C[C@]4(CCOC4)CC3=O)C2)nc1 ZINC000793593812 580848561 /nfs/dbraw/zinc/84/85/61/580848561.db2.gz YHBUCBFBDKAVGP-YJBOKZPZSA-N 1 2 342.399 1.003 20 30 EDEDLO C#CC[N@@H+](CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)Cc1ccccc1 ZINC000796641047 580958786 /nfs/dbraw/zinc/95/87/86/580958786.db2.gz UWOMLKNALJNLOF-YJBOKZPZSA-N 1 2 330.428 1.826 20 30 EDEDLO C#CC[N@H+](CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)Cc1ccccc1 ZINC000796641047 580958787 /nfs/dbraw/zinc/95/87/87/580958787.db2.gz UWOMLKNALJNLOF-YJBOKZPZSA-N 1 2 330.428 1.826 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000798354870 580995135 /nfs/dbraw/zinc/99/51/35/580995135.db2.gz QATFKKZFLQAADF-CVEARBPZSA-N 1 2 326.400 1.583 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000798428217 580997105 /nfs/dbraw/zinc/99/71/05/580997105.db2.gz QFZRXZXJFHIIFB-DLBZAZTESA-N 1 2 340.427 1.777 20 30 EDEDLO C[C@H]1C[N@H+](CCOC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCO1 ZINC000800185675 581046777 /nfs/dbraw/zinc/04/67/77/581046777.db2.gz LFWGAXUPLFMJCV-AWEZNQCLSA-N 1 2 332.400 1.980 20 30 EDEDLO C[C@H]1C[N@@H+](CCOC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCO1 ZINC000800185675 581046778 /nfs/dbraw/zinc/04/67/78/581046778.db2.gz LFWGAXUPLFMJCV-AWEZNQCLSA-N 1 2 332.400 1.980 20 30 EDEDLO Cc1ccc(C)c(C2=NO[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C2)c1 ZINC000890885708 590832720 /nfs/dbraw/zinc/83/27/20/590832720.db2.gz FACSNIHULGZYBF-WMZOPIPTSA-N 1 2 328.416 1.757 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2csc(C#N)c2)CC1 ZINC000892185410 590853251 /nfs/dbraw/zinc/85/32/51/590853251.db2.gz MOXVZZMICJKYSD-CQSZACIVSA-N 1 2 332.473 1.748 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[N@@H+]1C ZINC000893577488 590980349 /nfs/dbraw/zinc/98/03/49/590980349.db2.gz NMVVLFLQWNTYHV-OLMMMNRUSA-N 1 2 342.395 1.841 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[N@H+]1C ZINC000893577488 590980353 /nfs/dbraw/zinc/98/03/53/590980353.db2.gz NMVVLFLQWNTYHV-OLMMMNRUSA-N 1 2 342.395 1.841 20 30 EDEDLO C=CC(C)(C)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000891270641 591025582 /nfs/dbraw/zinc/02/55/82/591025582.db2.gz VMHMMZVHBPQRKN-UHFFFAOYSA-N 1 2 330.432 1.591 20 30 EDEDLO COC(=O)[C@H]1[C@@H](C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1(F)F ZINC000893902136 591130276 /nfs/dbraw/zinc/13/02/76/591130276.db2.gz IYLKGCDIMUDNLP-HZPDHXFCSA-N 1 2 349.381 1.730 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000891606524 591147496 /nfs/dbraw/zinc/14/74/96/591147496.db2.gz OMEYRFCUQKHOCN-QGZVFWFLSA-N 1 2 327.428 1.962 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000891606524 591147498 /nfs/dbraw/zinc/14/74/98/591147498.db2.gz OMEYRFCUQKHOCN-QGZVFWFLSA-N 1 2 327.428 1.962 20 30 EDEDLO Cc1cc(Br)c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(C#N)c1 ZINC000894399453 591302147 /nfs/dbraw/zinc/30/21/47/591302147.db2.gz SVHKTYJGYCSYEX-CYBMUJFWSA-N 1 2 336.233 1.884 20 30 EDEDLO Cc1cc(Br)c(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(C#N)c1 ZINC000894399453 591302149 /nfs/dbraw/zinc/30/21/49/591302149.db2.gz SVHKTYJGYCSYEX-CYBMUJFWSA-N 1 2 336.233 1.884 20 30 EDEDLO C#CC1(O)CN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)c(F)c2)C1 ZINC000898735663 591499590 /nfs/dbraw/zinc/49/95/90/591499590.db2.gz GZTSRCPYKBLEFC-CQSZACIVSA-N 1 2 346.337 1.177 20 30 EDEDLO COc1ccc2c(c1)[nH+]ccc2N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC000896611292 591547798 /nfs/dbraw/zinc/54/77/98/591547798.db2.gz WTBFVHLHACLOQG-SJKOYZFVSA-N 1 2 343.408 1.618 20 30 EDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H]2CCCN(CC#N)C2)[nH]n1 ZINC000896632109 591559429 /nfs/dbraw/zinc/55/94/29/591559429.db2.gz WVODXBHKTPFKAH-CZUORRHYSA-N 1 2 330.436 1.142 20 30 EDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H]2CCCN(CC#N)C2)[nH]n1 ZINC000896632109 591559431 /nfs/dbraw/zinc/55/94/31/591559431.db2.gz WVODXBHKTPFKAH-CZUORRHYSA-N 1 2 330.436 1.142 20 30 EDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H]2CCCN(CC#N)C2)n[nH]1 ZINC000896632109 591559432 /nfs/dbraw/zinc/55/94/32/591559432.db2.gz WVODXBHKTPFKAH-CZUORRHYSA-N 1 2 330.436 1.142 20 30 EDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H]2CCCN(CC#N)C2)n[nH]1 ZINC000896632109 591559434 /nfs/dbraw/zinc/55/94/34/591559434.db2.gz WVODXBHKTPFKAH-CZUORRHYSA-N 1 2 330.436 1.142 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1[nH]c2ccccc2c1C#N ZINC000897600493 591577221 /nfs/dbraw/zinc/57/72/21/591577221.db2.gz JSPYEYQXVDMXCA-ZDUSSCGKSA-N 1 2 326.400 1.832 20 30 EDEDLO C=C1CC(c2noc([C@H]3OCC(=O)N(CC)[C@@H]3c3[nH+]ccn3C)n2)C1 ZINC000896875303 591641937 /nfs/dbraw/zinc/64/19/37/591641937.db2.gz CJPXIJPLANWYPI-KBPBESRZSA-N 1 2 343.387 1.898 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@H](c3ccc(C)cc3)C2=O)CC1 ZINC000902042865 591902410 /nfs/dbraw/zinc/90/24/10/591902410.db2.gz WOTHTHYLALUCFW-QGZVFWFLSA-N 1 2 325.412 1.046 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@@H](c3ccc(F)cc3)CC2=O)C1=O ZINC000902249622 591960534 /nfs/dbraw/zinc/96/05/34/591960534.db2.gz RCNGBMUJMCRVQV-RDJZCZTQSA-N 1 2 345.418 1.818 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@@H](c3ccc(F)cc3)CC2=O)C1=O ZINC000902249622 591960535 /nfs/dbraw/zinc/96/05/35/591960535.db2.gz RCNGBMUJMCRVQV-RDJZCZTQSA-N 1 2 345.418 1.818 20 30 EDEDLO N#CCCN1CC[NH+](CN2C[C@H](c3ccc(F)cc3)CC2=O)CC1 ZINC000902352504 591984792 /nfs/dbraw/zinc/98/47/92/591984792.db2.gz LVRVVNPQVAMCJE-MRXNPFEDSA-N 1 2 330.407 1.630 20 30 EDEDLO Cc1cc2[nH+]cn(CN3C[C@@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2cc1C ZINC000902526451 592010657 /nfs/dbraw/zinc/01/06/57/592010657.db2.gz GKVZCQAPIDHDBQ-PBHICJAKSA-N 1 2 344.440 1.481 20 30 EDEDLO O=C1C[C@H](c2ccccn2)CN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902599936 592022426 /nfs/dbraw/zinc/02/24/26/592022426.db2.gz OQTCRDLFEDBWBC-HNNXBMFYSA-N 1 2 341.411 1.693 20 30 EDEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)n2)cc1 ZINC000902615119 592026749 /nfs/dbraw/zinc/02/67/49/592026749.db2.gz BOOOQCQFAYKIQH-IYBDPMFKSA-N 1 2 342.424 1.356 20 30 EDEDLO N#Cc1ccc(-c2ccn(C[N@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)n2)cc1 ZINC000902615119 592026752 /nfs/dbraw/zinc/02/67/52/592026752.db2.gz BOOOQCQFAYKIQH-IYBDPMFKSA-N 1 2 342.424 1.356 20 30 EDEDLO N#Cc1cccn(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1=O ZINC000902618306 592027620 /nfs/dbraw/zinc/02/76/20/592027620.db2.gz DNBHMJIWGSZKGI-LBPRGKRZSA-N 1 2 349.316 1.976 20 30 EDEDLO N#Cc1cccn(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1=O ZINC000902618306 592027622 /nfs/dbraw/zinc/02/76/22/592027622.db2.gz DNBHMJIWGSZKGI-LBPRGKRZSA-N 1 2 349.316 1.976 20 30 EDEDLO C[C@H]1COC[C@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000905003096 592363169 /nfs/dbraw/zinc/36/31/69/592363169.db2.gz UGJYRAUBFKRGNN-SMDDNHRTSA-N 1 2 326.400 1.681 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccsc2C#N)nc[nH+]1 ZINC000906841230 592365339 /nfs/dbraw/zinc/36/53/39/592365339.db2.gz AOPOJIUJGUVGDU-NSHDSACASA-N 1 2 342.428 1.850 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccsc2C#N)[nH+]cn1 ZINC000906841230 592365345 /nfs/dbraw/zinc/36/53/45/592365345.db2.gz AOPOJIUJGUVGDU-NSHDSACASA-N 1 2 342.428 1.850 20 30 EDEDLO Cn1ccc([C@H]2CCC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000905714860 592621399 /nfs/dbraw/zinc/62/13/99/592621399.db2.gz BUWRAYDLEFVRSE-HNNXBMFYSA-N 1 2 337.427 1.779 20 30 EDEDLO Cn1ccc([C@H]2CCC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000905714860 592621401 /nfs/dbraw/zinc/62/14/01/592621401.db2.gz BUWRAYDLEFVRSE-HNNXBMFYSA-N 1 2 337.427 1.779 20 30 EDEDLO C#C[C@@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[C@H]1CCCO1 ZINC000907489476 592670262 /nfs/dbraw/zinc/67/02/62/592670262.db2.gz ZFTZQVPXOXYJGE-QZTJIDSGSA-N 1 2 338.411 1.906 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000907947713 592853933 /nfs/dbraw/zinc/85/39/33/592853933.db2.gz KFWQKNDVJWFLQI-KEYYUXOJSA-N 1 2 349.431 1.606 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000907947713 592853935 /nfs/dbraw/zinc/85/39/35/592853935.db2.gz KFWQKNDVJWFLQI-KEYYUXOJSA-N 1 2 349.431 1.606 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000907947711 592854148 /nfs/dbraw/zinc/85/41/48/592854148.db2.gz KFWQKNDVJWFLQI-JKIFEVAISA-N 1 2 349.431 1.606 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000907947711 592854149 /nfs/dbraw/zinc/85/41/49/592854149.db2.gz KFWQKNDVJWFLQI-JKIFEVAISA-N 1 2 349.431 1.606 20 30 EDEDLO C=CCNc1ncc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)s1 ZINC000910573377 592875938 /nfs/dbraw/zinc/87/59/38/592875938.db2.gz RMPXCSZNZCXQJA-UHFFFAOYSA-N 1 2 338.477 1.924 20 30 EDEDLO C[N@@H+]1CCn2nc(NC(=O)Nc3nc(Cl)c(C#N)s3)cc2C1 ZINC000888428263 593057846 /nfs/dbraw/zinc/05/78/46/593057846.db2.gz SCBOGUGCOJJRRA-UHFFFAOYSA-N 1 2 337.796 1.954 20 30 EDEDLO C[N@H+]1CCn2nc(NC(=O)Nc3nc(Cl)c(C#N)s3)cc2C1 ZINC000888428263 593057847 /nfs/dbraw/zinc/05/78/47/593057847.db2.gz SCBOGUGCOJJRRA-UHFFFAOYSA-N 1 2 337.796 1.954 20 30 EDEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000807283549 593160462 /nfs/dbraw/zinc/16/04/62/593160462.db2.gz BOOLMBZNINLYPC-HZPDHXFCSA-N 1 2 340.383 1.628 20 30 EDEDLO C=CCNC(=O)COC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805962140 593171393 /nfs/dbraw/zinc/17/13/93/593171393.db2.gz CYDARWUDWHKTBR-UHFFFAOYSA-N 1 2 337.445 1.509 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000838498883 593174729 /nfs/dbraw/zinc/17/47/29/593174729.db2.gz FOKILKRPNVHGHS-IRXDYDNUSA-N 1 2 338.411 1.748 20 30 EDEDLO C=CC[N@@H+](CN1C(=O)N[C@@](C)(CCC(=O)OCC)C1=O)C(C)C ZINC000808142490 593227179 /nfs/dbraw/zinc/22/71/79/593227179.db2.gz UARVVXSRCHPRAL-INIZCTEOSA-N 1 2 325.409 1.494 20 30 EDEDLO C=CC[N@H+](CN1C(=O)N[C@@](C)(CCC(=O)OCC)C1=O)C(C)C ZINC000808142490 593227181 /nfs/dbraw/zinc/22/71/81/593227181.db2.gz UARVVXSRCHPRAL-INIZCTEOSA-N 1 2 325.409 1.494 20 30 EDEDLO CC[C@@]1(C)CC(=O)N(C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000808178259 593234353 /nfs/dbraw/zinc/23/43/53/593234353.db2.gz GQLVKYOELLVUBN-SFHVURJKSA-N 1 2 327.432 1.681 20 30 EDEDLO C#C[C@H]([NH2+][C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C)[C@@H]1CCCO1 ZINC000839562814 593345281 /nfs/dbraw/zinc/34/52/81/593345281.db2.gz DAYBVZFBRMZWOV-IHRRRGAJSA-N 1 2 332.400 1.760 20 30 EDEDLO N#Cc1cccn(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1=O ZINC000758206776 593396765 /nfs/dbraw/zinc/39/67/65/593396765.db2.gz ZYQUMQLYULRZPT-UHFFFAOYSA-N 1 2 342.443 1.838 20 30 EDEDLO C=CCN1CCN(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)C1=O ZINC000840051056 593425155 /nfs/dbraw/zinc/42/51/55/593425155.db2.gz UQGZCBIXNFAIDV-CQSZACIVSA-N 1 2 335.370 1.893 20 30 EDEDLO CCc1ccc(N2C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC2=O)cc1 ZINC000813376006 593530044 /nfs/dbraw/zinc/53/00/44/593530044.db2.gz BYQQYDLKEXAFRK-KXBFYZLASA-N 1 2 342.443 1.562 20 30 EDEDLO O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000816694801 593541531 /nfs/dbraw/zinc/54/15/31/593541531.db2.gz OAKDZHPVUVCGGS-GJZGRUSLSA-N 1 2 335.379 1.287 20 30 EDEDLO O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000816694801 593541532 /nfs/dbraw/zinc/54/15/32/593541532.db2.gz OAKDZHPVUVCGGS-GJZGRUSLSA-N 1 2 335.379 1.287 20 30 EDEDLO Cn1cc(C=[NH+]Nc2ccc(S(=O)(=O)NC3CC3)cc2)c(=O)[nH]1 ZINC000814218811 593578878 /nfs/dbraw/zinc/57/88/78/593578878.db2.gz GQMIQRPMHSZCBI-UHFFFAOYSA-N 1 2 335.389 1.012 20 30 EDEDLO CC(=[NH+]Nc1ccc(-n2cccn2)nn1)c1cc([N+](=O)[O-])ccc1N ZINC000814806932 593604016 /nfs/dbraw/zinc/60/40/16/593604016.db2.gz XTHUYLULQYGKNC-UHFFFAOYSA-N 1 2 338.331 1.989 20 30 EDEDLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2sccc2C#N)c1C ZINC000815450067 593636123 /nfs/dbraw/zinc/63/61/23/593636123.db2.gz NBSUXJNRBTXKNI-UHFFFAOYSA-N 1 2 344.396 1.895 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000819278792 593748197 /nfs/dbraw/zinc/74/81/97/593748197.db2.gz IIGSVJCOVRYCJT-HNNXBMFYSA-N 1 2 348.447 1.351 20 30 EDEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823953885 593893947 /nfs/dbraw/zinc/89/39/47/593893947.db2.gz UETCEKFPGARCSE-ZIAGYGMSSA-N 1 2 342.382 1.590 20 30 EDEDLO Cc1cc(C)n(N=Cc2cccc3[nH+]ccn32)c(=O)c1-c1nn[nH]n1 ZINC000822198934 594007614 /nfs/dbraw/zinc/00/76/14/594007614.db2.gz ORYAFLPIRAUFNJ-UHFFFAOYSA-N 1 2 334.343 1.175 20 30 EDEDLO CCS(=O)(=O)N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000824548799 594036677 /nfs/dbraw/zinc/03/66/77/594036677.db2.gz QYIVVUGAXGXYIW-UHFFFAOYSA-N 1 2 333.457 1.709 20 30 EDEDLO C#CCO[C@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000822524547 594061895 /nfs/dbraw/zinc/06/18/95/594061895.db2.gz YXZCULWCXSOILG-RBSFLKMASA-N 1 2 331.416 1.350 20 30 EDEDLO N#CCOc1ccc(CC(=O)N2CC[NH+](Cc3cn[nH]c3)CC2)cc1 ZINC000823038548 594142025 /nfs/dbraw/zinc/14/20/25/594142025.db2.gz ITPDGGQAWOYDMP-UHFFFAOYSA-N 1 2 339.399 1.199 20 30 EDEDLO N#C[C@]1(C(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)CCCOC1 ZINC000829034075 594554260 /nfs/dbraw/zinc/55/42/60/594554260.db2.gz ATSLNWHMFPLXQC-MAUKXSAKSA-N 1 2 326.400 1.713 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000831474660 594638047 /nfs/dbraw/zinc/63/80/47/594638047.db2.gz CFNDACDCRVPAET-MRXNPFEDSA-N 1 2 345.447 1.483 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(F)cc(N3CCOCC3)c2)CC1 ZINC000827525668 594678499 /nfs/dbraw/zinc/67/84/99/594678499.db2.gz CCDNLUMRQYQCQZ-UHFFFAOYSA-N 1 2 331.391 1.053 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)n(C(C)C)c3c2)CC1 ZINC000827527189 594678583 /nfs/dbraw/zinc/67/85/83/594678583.db2.gz SSOJLGOSWVGHIL-UHFFFAOYSA-N 1 2 326.400 1.714 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCOCC2CCCC2)CC1 ZINC000841479024 594906621 /nfs/dbraw/zinc/90/66/21/594906621.db2.gz IQKLDCGZSXGXKR-UHFFFAOYSA-N 1 2 328.478 1.164 20 30 EDEDLO NC(C[NH+]1CCSCC1)=NOCc1nc(-c2ccsc2)no1 ZINC000121473825 595014215 /nfs/dbraw/zinc/01/42/15/595014215.db2.gz YRJLXXKGWPLCTM-UHFFFAOYSA-N 1 2 339.446 1.636 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc2[nH]c1=S ZINC000843502965 595133906 /nfs/dbraw/zinc/13/39/06/595133906.db2.gz HMNGZPAYNBOXRD-WDEREUQCSA-N 1 2 346.456 1.727 20 30 EDEDLO C=CCn1cc(C(=O)NC2CC[NH+](c3ccc(OC)cc3)CC2)nn1 ZINC000843541498 595143578 /nfs/dbraw/zinc/14/35/78/595143578.db2.gz GCUBUGABENEKLH-UHFFFAOYSA-N 1 2 341.415 1.872 20 30 EDEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1 ZINC000846228895 595180192 /nfs/dbraw/zinc/18/01/92/595180192.db2.gz RZFHJYJRIITDLO-ZDUSSCGKSA-N 1 2 343.399 1.715 20 30 EDEDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)COc1ccc(C#N)cc1 ZINC000842961468 595243535 /nfs/dbraw/zinc/24/35/35/595243535.db2.gz CICKZSIAPRJPDX-YOEHRIQHSA-N 1 2 348.399 1.216 20 30 EDEDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)COc1ccc(C#N)cc1 ZINC000842961468 595243538 /nfs/dbraw/zinc/24/35/38/595243538.db2.gz CICKZSIAPRJPDX-YOEHRIQHSA-N 1 2 348.399 1.216 20 30 EDEDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)CCc1ccc(C#N)cc1 ZINC000842967362 595248866 /nfs/dbraw/zinc/24/88/66/595248866.db2.gz SOVKMWPLNPMGNF-QAPCUYQASA-N 1 2 346.427 1.770 20 30 EDEDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)CCc1ccc(C#N)cc1 ZINC000842967362 595248868 /nfs/dbraw/zinc/24/88/68/595248868.db2.gz SOVKMWPLNPMGNF-QAPCUYQASA-N 1 2 346.427 1.770 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)OCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000835185906 595275624 /nfs/dbraw/zinc/27/56/24/595275624.db2.gz CZYXJPUKQBONGK-UHFFFAOYSA-N 1 2 344.415 1.296 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000846990337 595347576 /nfs/dbraw/zinc/34/75/76/595347576.db2.gz CWYFPSLCLJDKDZ-OAHLLOKOSA-N 1 2 328.416 1.711 20 30 EDEDLO C[C@H](C(=O)OCc1ccc(C#N)cc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000845139345 595449358 /nfs/dbraw/zinc/44/93/58/595449358.db2.gz IAUNADNGVVDKGZ-LLVKDONJSA-N 1 2 335.385 1.947 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)CC1 ZINC000112920008 595563627 /nfs/dbraw/zinc/56/36/27/595563627.db2.gz PXNFVGQDQQUDJH-UHFFFAOYSA-N 1 2 328.803 1.917 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860075336 595566366 /nfs/dbraw/zinc/56/63/66/595566366.db2.gz BEQSSTVGKBIKCJ-UHFFFAOYSA-N 1 2 330.436 1.257 20 30 EDEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000857749512 595597114 /nfs/dbraw/zinc/59/71/14/595597114.db2.gz FJJAUXZWYREDHK-INIZCTEOSA-N 1 2 329.444 1.259 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000857749512 595597115 /nfs/dbraw/zinc/59/71/15/595597115.db2.gz FJJAUXZWYREDHK-INIZCTEOSA-N 1 2 329.444 1.259 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(O[C@@H](C)CC)nc(C)n2)CC1 ZINC000858329823 595765974 /nfs/dbraw/zinc/76/59/74/595765974.db2.gz FUVOKNROSCJDGP-AWEZNQCLSA-N 1 2 347.463 1.387 20 30 EDEDLO CC(C)[C@H]1CCN(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000853513797 595778568 /nfs/dbraw/zinc/77/85/68/595778568.db2.gz DBBDFSQIQJNIAM-JKSUJKDBSA-N 1 2 328.416 1.868 20 30 EDEDLO CC(C)[C@H]1CCN(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000853513797 595778570 /nfs/dbraw/zinc/77/85/70/595778570.db2.gz DBBDFSQIQJNIAM-JKSUJKDBSA-N 1 2 328.416 1.868 20 30 EDEDLO C#CCCC[C@@H](C)OC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000860861615 595821330 /nfs/dbraw/zinc/82/13/30/595821330.db2.gz VYOMMUNPENUHLH-KBMXLJTQSA-N 1 2 347.415 1.444 20 30 EDEDLO C#CCO[C@@H](C)C(=O)OCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000861023618 595867647 /nfs/dbraw/zinc/86/76/47/595867647.db2.gz MGLTWNNZISMEOR-INIZCTEOSA-N 1 2 344.411 1.026 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccccn3)CC2)c(F)c1 ZINC000851745920 595905427 /nfs/dbraw/zinc/90/54/27/595905427.db2.gz OEXMEDVTFLLPFT-GOSISDBHSA-N 1 2 326.375 1.948 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C=O)c(OC)cc2OC)CC1 ZINC000859003926 595946475 /nfs/dbraw/zinc/94/64/75/595946475.db2.gz XSKCPTQKIOUKGV-UHFFFAOYSA-N 1 2 330.384 1.297 20 30 EDEDLO C#Cc1cccc(CNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000854122877 595981677 /nfs/dbraw/zinc/98/16/77/595981677.db2.gz YXZYPTQKCRSHEP-UHFFFAOYSA-N 1 2 341.455 1.922 20 30 EDEDLO C#C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCOCC1 ZINC000852227412 596091723 /nfs/dbraw/zinc/09/17/23/596091723.db2.gz ZYQYEEQUIRTPNP-HZPDHXFCSA-N 1 2 328.416 1.388 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C ZINC000859479782 596106729 /nfs/dbraw/zinc/10/67/29/596106729.db2.gz PJWHGZPEWPGVSJ-CQSZACIVSA-N 1 2 325.453 1.866 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C ZINC000859479782 596106732 /nfs/dbraw/zinc/10/67/32/596106732.db2.gz PJWHGZPEWPGVSJ-CQSZACIVSA-N 1 2 325.453 1.866 20 30 EDEDLO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH+]1CCN(CC#N)CC1 ZINC000862238360 596283970 /nfs/dbraw/zinc/28/39/70/596283970.db2.gz UOKANNCQUODAMK-CYBMUJFWSA-N 1 2 344.406 1.772 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CCNC(=O)N(C)C)cc1 ZINC000870615635 596298020 /nfs/dbraw/zinc/29/80/20/596298020.db2.gz HBUSEMPQCCVOAG-KRWDZBQOSA-N 1 2 342.443 1.536 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CCNC(=O)N(C)C)cc1 ZINC000870615635 596298021 /nfs/dbraw/zinc/29/80/21/596298021.db2.gz HBUSEMPQCCVOAG-KRWDZBQOSA-N 1 2 342.443 1.536 20 30 EDEDLO C=CCNC(=O)c1ccccc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864695514 596311540 /nfs/dbraw/zinc/31/15/40/596311540.db2.gz NUPZTQPHDTUSJI-VMPITWQZSA-N 1 2 329.400 1.429 20 30 EDEDLO CCOC(=O)c1cccc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)n1 ZINC000862385852 596317276 /nfs/dbraw/zinc/31/72/76/596317276.db2.gz RDSUSUFGURDZRH-UHFFFAOYSA-N 1 2 331.372 1.537 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC3(C2)OCCO3)c1C ZINC000118961603 596347471 /nfs/dbraw/zinc/34/74/71/596347471.db2.gz UKGZPZCPKDHYIU-UHFFFAOYSA-N 1 2 343.427 1.999 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC3(C2)OCCO3)c1C ZINC000118961603 596347472 /nfs/dbraw/zinc/34/74/72/596347472.db2.gz UKGZPZCPKDHYIU-UHFFFAOYSA-N 1 2 343.427 1.999 20 30 EDEDLO N#C[C@]1(NC(=O)/C=C/C[NH+]2CCOCC2)CCc2ccccc2C1 ZINC000867473198 596385418 /nfs/dbraw/zinc/38/54/18/596385418.db2.gz FJLRMZULBJSIBS-NAASZUNDSA-N 1 2 325.412 1.442 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000864879420 596401792 /nfs/dbraw/zinc/40/17/92/596401792.db2.gz KUHVIYFTCQQOLB-QGZVFWFLSA-N 1 2 332.404 1.256 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000869193387 596442573 /nfs/dbraw/zinc/44/25/73/596442573.db2.gz PZGBTPPLGWZHQX-MSOLQXFVSA-N 1 2 340.427 1.142 20 30 EDEDLO N#Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCF)C2)ccc1F ZINC000867712262 596510083 /nfs/dbraw/zinc/51/00/83/596510083.db2.gz XKHZEROWAGPOFW-LBPRGKRZSA-N 1 2 329.372 1.410 20 30 EDEDLO N#Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+](CCF)C2)ccc1F ZINC000867712262 596510085 /nfs/dbraw/zinc/51/00/85/596510085.db2.gz XKHZEROWAGPOFW-LBPRGKRZSA-N 1 2 329.372 1.410 20 30 EDEDLO COC(=O)CCN(CC#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000871344662 596538080 /nfs/dbraw/zinc/53/80/80/596538080.db2.gz UTVLMGJKBFZZAA-OAHLLOKOSA-N 1 2 340.383 1.847 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871544067 596623279 /nfs/dbraw/zinc/62/32/79/596623279.db2.gz YKOZOXLNVYZCAY-UHFFFAOYSA-N 1 2 346.431 1.731 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)C1=O ZINC000868017191 596656204 /nfs/dbraw/zinc/65/62/04/596656204.db2.gz WUMFVPMRULIUHZ-CHWSQXEVSA-N 1 2 329.391 1.209 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)C1=O ZINC000868017191 596656207 /nfs/dbraw/zinc/65/62/07/596656207.db2.gz WUMFVPMRULIUHZ-CHWSQXEVSA-N 1 2 329.391 1.209 20 30 EDEDLO C[C@@H]1OCC[C@H]1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000871729423 596679444 /nfs/dbraw/zinc/67/94/44/596679444.db2.gz NWYZNGVVZNXINI-YOEHRIQHSA-N 1 2 333.432 1.581 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000863799780 596690156 /nfs/dbraw/zinc/69/01/56/596690156.db2.gz QOKDJANNOIREOZ-RDJZCZTQSA-N 1 2 347.434 1.491 20 30 EDEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000865872873 596707186 /nfs/dbraw/zinc/70/71/86/596707186.db2.gz UZGWPCOUYMCGQO-PFWMLDTASA-N 1 2 343.427 1.872 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000870158483 596780535 /nfs/dbraw/zinc/78/05/35/596780535.db2.gz KXCJDZUMLCQWLT-MSOLQXFVSA-N 1 2 330.428 1.931 20 30 EDEDLO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C#N)c1 ZINC000872471433 596924546 /nfs/dbraw/zinc/92/45/46/596924546.db2.gz MXSRXBKHFMTLGV-HOTGVXAUSA-N 1 2 349.456 1.086 20 30 EDEDLO Cc1nn(C[NH+]2CCN(CCC#N)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000872733587 597051309 /nfs/dbraw/zinc/05/13/09/597051309.db2.gz GBLNQSSYAJSXDY-UHFFFAOYSA-N 1 2 328.376 1.742 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cn3cc(-c4ccncn4)cn3)CC2)cn1 ZINC000872793613 597072295 /nfs/dbraw/zinc/07/22/95/597072295.db2.gz BMZMYFZCPJMTLU-UHFFFAOYSA-N 1 2 346.398 1.386 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C[C@H]4CCCCN4C3=O)CC2)cn1 ZINC000872794941 597072905 /nfs/dbraw/zinc/07/29/05/597072905.db2.gz KLTLWBPKAKHDBO-QGZVFWFLSA-N 1 2 340.431 1.323 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C[C@H]4CCC[C@H]4C3=O)CC2)cn1 ZINC000872797605 597074485 /nfs/dbraw/zinc/07/44/85/597074485.db2.gz ZTUSDGZECICRFC-RHSMWYFYSA-N 1 2 325.416 1.291 20 30 EDEDLO C=CC(C)(C)CCCNC(=O)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000872810762 597080164 /nfs/dbraw/zinc/08/01/64/597080164.db2.gz NZLGJTHUZUGDCY-UHFFFAOYSA-N 1 2 339.480 1.276 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000875050763 597261304 /nfs/dbraw/zinc/26/13/04/597261304.db2.gz QSHLEVPSXXQPJL-SFHVURJKSA-N 1 2 348.406 1.477 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000875050763 597261307 /nfs/dbraw/zinc/26/13/07/597261307.db2.gz QSHLEVPSXXQPJL-SFHVURJKSA-N 1 2 348.406 1.477 20 30 EDEDLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000877522643 597530368 /nfs/dbraw/zinc/53/03/68/597530368.db2.gz QKDNDROSWPMJOC-UHFFFAOYSA-N 1 2 342.852 1.510 20 30 EDEDLO COC(=O)c1[nH]c(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc1C ZINC000877645732 597544045 /nfs/dbraw/zinc/54/40/45/597544045.db2.gz URTVSDAIAFLEBJ-UHFFFAOYSA-N 1 2 339.399 1.699 20 30 EDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000878199705 597586371 /nfs/dbraw/zinc/58/63/71/597586371.db2.gz CFGWOCNMLFXDNU-CQSZACIVSA-N 1 2 334.420 1.505 20 30 EDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000878199705 597586372 /nfs/dbraw/zinc/58/63/72/597586372.db2.gz CFGWOCNMLFXDNU-CQSZACIVSA-N 1 2 334.420 1.505 20 30 EDEDLO C=CC[N@H+](C[C@@H]1CCC2(CCOCC2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000878242349 597589371 /nfs/dbraw/zinc/58/93/71/597589371.db2.gz PKKGVUCZFKCKPY-CVEARBPZSA-N 1 2 343.489 1.637 20 30 EDEDLO C=CC[N@@H+](C[C@@H]1CCC2(CCOCC2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000878242349 597589372 /nfs/dbraw/zinc/58/93/72/597589372.db2.gz PKKGVUCZFKCKPY-CVEARBPZSA-N 1 2 343.489 1.637 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](CCCOC(F)(F)F)CC2)c1C#N ZINC000878495302 597614054 /nfs/dbraw/zinc/61/40/54/597614054.db2.gz WMTPUUGSVLDBLS-UHFFFAOYSA-N 1 2 331.342 1.649 20 30 EDEDLO C#CC[C@H](CO)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000878663664 597672418 /nfs/dbraw/zinc/67/24/18/597672418.db2.gz NIVLMLMDUAXDOG-CQSZACIVSA-N 1 2 328.372 1.468 20 30 EDEDLO C[C@]12C[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880016153 597810000 /nfs/dbraw/zinc/81/00/00/597810000.db2.gz LYJOMYGMMKPDJT-ZACQAIPSSA-N 1 2 334.441 1.348 20 30 EDEDLO C[C@]12C[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880016153 597810002 /nfs/dbraw/zinc/81/00/02/597810002.db2.gz LYJOMYGMMKPDJT-ZACQAIPSSA-N 1 2 334.441 1.348 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880063103 597827619 /nfs/dbraw/zinc/82/76/19/597827619.db2.gz UOMITPUCGNGBIQ-GRYCIOLGSA-N 1 2 333.354 1.979 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880063103 597827622 /nfs/dbraw/zinc/82/76/22/597827622.db2.gz UOMITPUCGNGBIQ-GRYCIOLGSA-N 1 2 333.354 1.979 20 30 EDEDLO N#Cc1cc(CN2CC=C[C@@H]2CO)cc(C[N@@H+]2CC=C[C@H]2CO)c1 ZINC000880494519 597947748 /nfs/dbraw/zinc/94/77/48/597947748.db2.gz OYJDNLBXBYKONT-KDURUIRLSA-N 1 2 325.412 1.024 20 30 EDEDLO N#Cc1cc(CN2CC=C[C@@H]2CO)cc(C[N@H+]2CC=C[C@H]2CO)c1 ZINC000880494519 597947749 /nfs/dbraw/zinc/94/77/49/597947749.db2.gz OYJDNLBXBYKONT-KDURUIRLSA-N 1 2 325.412 1.024 20 30 EDEDLO N#Cc1cc(CN2CC=C[C@H]2CO)cc(C[N@@H+]2CC=C[C@@H]2CO)c1 ZINC000880494519 597947750 /nfs/dbraw/zinc/94/77/50/597947750.db2.gz OYJDNLBXBYKONT-KDURUIRLSA-N 1 2 325.412 1.024 20 30 EDEDLO N#Cc1cc(CN2CC=C[C@H]2CO)cc(C[N@H+]2CC=C[C@@H]2CO)c1 ZINC000880494519 597947751 /nfs/dbraw/zinc/94/77/51/597947751.db2.gz OYJDNLBXBYKONT-KDURUIRLSA-N 1 2 325.412 1.024 20 30 EDEDLO N#CCOc1ccc(Cn2cc(C[NH+]3CCC(O)CC3)nn2)cc1 ZINC000883992149 597964171 /nfs/dbraw/zinc/96/41/71/597964171.db2.gz DKXRGPKMXOLPJF-UHFFFAOYSA-N 1 2 327.388 1.185 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585388 597971380 /nfs/dbraw/zinc/97/13/80/597971380.db2.gz RDXMFMSIWJHHGB-CQSZACIVSA-N 1 2 331.372 1.830 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585388 597971381 /nfs/dbraw/zinc/97/13/81/597971381.db2.gz RDXMFMSIWJHHGB-CQSZACIVSA-N 1 2 331.372 1.830 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000884073823 597985966 /nfs/dbraw/zinc/98/59/66/597985966.db2.gz VVLVBYKLWLTBIY-CVEARBPZSA-N 1 2 348.399 1.630 20 30 EDEDLO C#CCC1(O)CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000882529818 597986854 /nfs/dbraw/zinc/98/68/54/597986854.db2.gz YIPKYNZCHLTEIR-GFCCVEGCSA-N 1 2 329.322 1.753 20 30 EDEDLO C=CC[N@@H+](CCCN1C(=O)c2ccccc2C1=O)CC(=O)OCC ZINC000128578537 597998605 /nfs/dbraw/zinc/99/86/05/597998605.db2.gz GMROUDWVRDZADL-UHFFFAOYSA-N 1 2 330.384 1.724 20 30 EDEDLO C=CC[N@H+](CCCN1C(=O)c2ccccc2C1=O)CC(=O)OCC ZINC000128578537 597998606 /nfs/dbraw/zinc/99/86/06/597998606.db2.gz GMROUDWVRDZADL-UHFFFAOYSA-N 1 2 330.384 1.724 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](OC)c1cccc(Cl)c1 ZINC000884158207 598010327 /nfs/dbraw/zinc/01/03/27/598010327.db2.gz UIBXTCHBRURXIY-KBPBESRZSA-N 1 2 340.807 1.590 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)C1 ZINC000884191616 598021193 /nfs/dbraw/zinc/02/11/93/598021193.db2.gz IUDOICGEHHVXAW-AGQHMROBSA-N 1 2 339.505 1.463 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)C1 ZINC000884191616 598021196 /nfs/dbraw/zinc/02/11/96/598021196.db2.gz IUDOICGEHHVXAW-AGQHMROBSA-N 1 2 339.505 1.463 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000884218129 598032156 /nfs/dbraw/zinc/03/21/56/598032156.db2.gz FZYFMWOTPHBYRD-HOCLYGCPSA-N 1 2 349.406 1.357 20 30 EDEDLO N#CC1(CS(=O)(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000882838011 598075079 /nfs/dbraw/zinc/07/50/79/598075079.db2.gz WDLFCCVJSQZOOA-OAHLLOKOSA-N 1 2 330.413 1.848 20 30 EDEDLO C=C(C)C[C@H](CO)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000882894015 598098073 /nfs/dbraw/zinc/09/80/73/598098073.db2.gz HAGCWOUFWUPBBP-DOTOQJQBSA-N 1 2 349.450 1.780 20 30 EDEDLO C=CCC1(O)CC[NH+](CN2C(=O)N[C@](C)(C3CCCC3)C2=O)CC1 ZINC000884479965 598116955 /nfs/dbraw/zinc/11/69/55/598116955.db2.gz YKKFHSWFMXLOOE-QGZVFWFLSA-N 1 2 335.448 1.848 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4CCC[C@H](NCC#N)[C@H]4C3)ccn12 ZINC000992692294 695209950 /nfs/dbraw/zinc/20/99/50/695209950.db2.gz PBGVRNJQAQVSSH-ULQDDVLXSA-N 1 2 337.427 1.997 20 30 EDEDLO Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)nn1C ZINC000993165523 695710998 /nfs/dbraw/zinc/71/09/98/695710998.db2.gz AQVGIEQYSQSXTA-CJNGLKHVSA-N 1 2 340.431 1.711 20 30 EDEDLO Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)nn1C ZINC000993165523 695711000 /nfs/dbraw/zinc/71/10/00/695711000.db2.gz AQVGIEQYSQSXTA-CJNGLKHVSA-N 1 2 340.431 1.711 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H](O)Cc3ccccc3)C2)nc1 ZINC001031278827 696106207 /nfs/dbraw/zinc/10/62/07/696106207.db2.gz ZNHXNFQSHJFHMN-SFHVURJKSA-N 1 2 335.407 1.081 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)CC1 ZINC000993749319 696347885 /nfs/dbraw/zinc/34/78/85/696347885.db2.gz ZWSRAKIVDSQRJV-HIFRSBDPSA-N 1 2 347.463 1.324 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@@H]2C)CC1 ZINC000993749319 696347887 /nfs/dbraw/zinc/34/78/87/696347887.db2.gz ZWSRAKIVDSQRJV-HIFRSBDPSA-N 1 2 347.463 1.324 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H]1C ZINC000994500939 696944609 /nfs/dbraw/zinc/94/46/09/696944609.db2.gz AFCPRBCCXHUSJD-WCQYABFASA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@@H]1C ZINC000994500939 696944611 /nfs/dbraw/zinc/94/46/11/696944611.db2.gz AFCPRBCCXHUSJD-WCQYABFASA-N 1 2 336.823 1.516 20 30 EDEDLO CCO[C@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031565749 697259190 /nfs/dbraw/zinc/25/91/90/697259190.db2.gz PBNXTJWSYNZEQX-RDJZCZTQSA-N 1 2 331.391 1.670 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)c1cccc(=O)[nH]1 ZINC001031600257 697300509 /nfs/dbraw/zinc/30/05/09/697300509.db2.gz NBVVSXLRIORNJB-UHFFFAOYSA-N 1 2 339.370 1.640 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCCO3)C2)cc1F ZINC001031610643 697319358 /nfs/dbraw/zinc/31/93/58/697319358.db2.gz OYOWDHYQINULPM-KRWDZBQOSA-N 1 2 331.391 1.814 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000994622912 697337757 /nfs/dbraw/zinc/33/77/57/697337757.db2.gz FFNSWVVTXDWNIY-CYBMUJFWSA-N 1 2 344.459 1.752 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000994622912 697337760 /nfs/dbraw/zinc/33/77/60/697337760.db2.gz FFNSWVVTXDWNIY-CYBMUJFWSA-N 1 2 344.459 1.752 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3cncnc3)C2)c1 ZINC001031627389 697364804 /nfs/dbraw/zinc/36/48/04/697364804.db2.gz KHCNMGLAMFHKLL-UHFFFAOYSA-N 1 2 325.347 1.349 20 30 EDEDLO C[C@H]1CC(=O)N[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001031677985 697491487 /nfs/dbraw/zinc/49/14/87/697491487.db2.gz IKJOXNVFJRBCHZ-CXAGYDPISA-N 1 2 340.427 1.021 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccnc2OC)C1 ZINC001031679949 697498123 /nfs/dbraw/zinc/49/81/23/697498123.db2.gz OTGIWTAVCQDTRG-SJORKVTESA-N 1 2 345.443 1.619 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000921321283 697549696 /nfs/dbraw/zinc/54/96/96/697549696.db2.gz CDDYXJCCCXVSEX-GJZGRUSLSA-N 1 2 337.470 1.416 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000921321283 697549697 /nfs/dbraw/zinc/54/96/97/697549697.db2.gz CDDYXJCCCXVSEX-GJZGRUSLSA-N 1 2 337.470 1.416 20 30 EDEDLO CC(C)C#CC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060750349 697737145 /nfs/dbraw/zinc/73/71/45/697737145.db2.gz WNJQYKNWRPSRKJ-WKILWMFISA-N 1 2 344.459 1.793 20 30 EDEDLO CC(C)C#CC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060750349 697737149 /nfs/dbraw/zinc/73/71/49/697737149.db2.gz WNJQYKNWRPSRKJ-WKILWMFISA-N 1 2 344.459 1.793 20 30 EDEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC000938386139 697994909 /nfs/dbraw/zinc/99/49/09/697994909.db2.gz RGNFQSSTKIUFMT-HNNXBMFYSA-N 1 2 330.432 1.724 20 30 EDEDLO C[C@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001032074403 698118651 /nfs/dbraw/zinc/11/86/51/698118651.db2.gz QMFXRPDDUQIYOU-WBMJQRKESA-N 1 2 331.391 1.670 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)C1 ZINC000945385800 700207833 /nfs/dbraw/zinc/20/78/33/700207833.db2.gz QYRDVGUKUMFTAB-GJZGRUSLSA-N 1 2 330.432 1.593 20 30 EDEDLO CC(C)n1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)nn1 ZINC001032079433 698266996 /nfs/dbraw/zinc/26/69/96/698266996.db2.gz HIMOFHKRIPFMDG-UHFFFAOYSA-N 1 2 344.444 1.654 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC000938655432 698430396 /nfs/dbraw/zinc/43/03/96/698430396.db2.gz DCUGXQOBIZZIGS-INIZCTEOSA-N 1 2 330.432 1.737 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC([NH3+])CC3)cc2[nH]c1=S ZINC000237850444 698430421 /nfs/dbraw/zinc/43/04/21/698430421.db2.gz DMKHHYJGNMJIPQ-UHFFFAOYSA-N 1 2 344.440 1.435 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)ccc3OC)CC2)C1 ZINC000941476060 701551666 /nfs/dbraw/zinc/55/16/66/701551666.db2.gz IUYIRAXUYUJYFU-UHFFFAOYSA-N 1 2 341.455 1.469 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cnc[nH]c3=O)C2)cc1F ZINC001031758673 699010932 /nfs/dbraw/zinc/01/09/32/699010932.db2.gz GGXGADUHGGJORE-UHFFFAOYSA-N 1 2 341.346 1.055 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000939010156 699054027 /nfs/dbraw/zinc/05/40/27/699054027.db2.gz OTYCVQYXYVMAOJ-ZBFHGGJFSA-N 1 2 344.459 1.717 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H](OC)C3)CC2)C1 ZINC000941541337 701570821 /nfs/dbraw/zinc/57/08/21/701570821.db2.gz XUXSYCGDGUWNAR-WMZOPIPTSA-N 1 2 333.476 1.043 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCCC3(F)F)CC2)C1 ZINC000941533488 701573461 /nfs/dbraw/zinc/57/34/61/701573461.db2.gz DDCQSESQJHMHOS-AWEZNQCLSA-N 1 2 325.403 1.274 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4ccc(F)cc43)CC2)C1 ZINC000941536753 701574393 /nfs/dbraw/zinc/57/43/93/701574393.db2.gz FJMVLRKBSUXLQG-IBGZPJMESA-N 1 2 341.430 1.317 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C4CC4)nc3C)CC2)C1 ZINC000941571216 701580820 /nfs/dbraw/zinc/58/08/20/701580820.db2.gz PDAWUSJXMOBLQX-UHFFFAOYSA-N 1 2 338.455 1.343 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2C[NH+](C[C@@H](F)CC)C2)CC1 ZINC000941574707 701581659 /nfs/dbraw/zinc/58/16/59/701581659.db2.gz PWOUMUPOKSPGIV-UAGQMJEPSA-N 1 2 339.455 1.154 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)cc3F)CC2)C1 ZINC000941582804 701589595 /nfs/dbraw/zinc/58/95/95/701589595.db2.gz XHROIXZTSYVXME-UHFFFAOYSA-N 1 2 329.419 1.599 20 30 EDEDLO C[C@@H]1COCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031961555 701589988 /nfs/dbraw/zinc/58/99/88/701589988.db2.gz WFHQUMRNWPQTJH-DYVFJYSZSA-N 1 2 345.418 1.918 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCO[C@H](CCC)C3)CC2)C1 ZINC000941617645 701597856 /nfs/dbraw/zinc/59/78/56/701597856.db2.gz FMHIACLAEOUZHE-PKOBYXMFSA-N 1 2 347.503 1.433 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nc(CC)no3)[C@@H](C)C2)nc1 ZINC000939568532 699711312 /nfs/dbraw/zinc/71/13/12/699711312.db2.gz UMWGWCQMUSKMCH-WFASDCNBSA-N 1 2 339.399 1.259 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)C1 ZINC000941657585 701607090 /nfs/dbraw/zinc/60/70/90/701607090.db2.gz BYJXWYHQUXWQMK-UHFFFAOYSA-N 1 2 329.469 1.312 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cccc4ccccc43)CC2)C1 ZINC000941646532 701610311 /nfs/dbraw/zinc/61/03/11/701610311.db2.gz FKPNJUUCOGMGIN-UHFFFAOYSA-N 1 2 347.462 1.844 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3cc(OC)ccn3)C2)c1 ZINC001031965908 701613954 /nfs/dbraw/zinc/61/39/54/701613954.db2.gz XJSONXGUGCKJDR-UHFFFAOYSA-N 1 2 336.395 1.328 20 30 EDEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC000941679169 701616549 /nfs/dbraw/zinc/61/65/49/701616549.db2.gz DDJVFYMUQKAKSL-OAHLLOKOSA-N 1 2 330.432 1.426 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(CC(C)C)cc3)CC2)C1 ZINC000941665428 701619399 /nfs/dbraw/zinc/61/93/99/701619399.db2.gz XSDHHFWDRBHSJY-UHFFFAOYSA-N 1 2 339.483 1.960 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3CC(c4ccccc4)C3)CC2)C1 ZINC000941682216 701627174 /nfs/dbraw/zinc/62/71/74/701627174.db2.gz JADFDUROKAHMFN-UHFFFAOYSA-N 1 2 337.467 1.642 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000941725808 701654388 /nfs/dbraw/zinc/65/43/88/701654388.db2.gz ZJWMZFKZVCEDND-UHFFFAOYSA-N 1 2 332.448 1.936 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)ccn12 ZINC000940596881 700773463 /nfs/dbraw/zinc/77/34/63/700773463.db2.gz MFDLLYFKPKCEKA-SMDDNHRTSA-N 1 2 325.372 1.133 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000940684719 700844555 /nfs/dbraw/zinc/84/45/55/700844555.db2.gz YFLIFRKSPXNBMO-KEYYUXOJSA-N 1 2 346.431 1.041 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)c1 ZINC000941014246 701054744 /nfs/dbraw/zinc/05/47/44/701054744.db2.gz DDXBTIBDJMGYHK-MRXNPFEDSA-N 1 2 339.399 1.476 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)CC2(C)C)c1 ZINC000941014246 701054746 /nfs/dbraw/zinc/05/47/46/701054746.db2.gz DDXBTIBDJMGYHK-MRXNPFEDSA-N 1 2 339.399 1.476 20 30 EDEDLO CSCC(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941297214 701453627 /nfs/dbraw/zinc/45/36/27/701453627.db2.gz CBSSTLJIQXGBDP-UHFFFAOYSA-N 1 2 344.484 1.250 20 30 EDEDLO CC[C@@H](C)C(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941318998 701463641 /nfs/dbraw/zinc/46/36/41/701463641.db2.gz DBRMQOYWVDLIIV-MRXNPFEDSA-N 1 2 340.471 1.933 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn(C4CCC4)c3)CC2)C1 ZINC000941410427 701518078 /nfs/dbraw/zinc/51/80/78/701518078.db2.gz HGXZKYOFTMRGGG-UHFFFAOYSA-N 1 2 341.459 1.073 20 30 EDEDLO C#CCC[NH+]1CC(N2CCN(C(=O)c3cnc(CC(C)C)[nH]3)CC2)C1 ZINC000941408763 701521474 /nfs/dbraw/zinc/52/14/74/701521474.db2.gz SKCCDUNJHFPHEP-UHFFFAOYSA-N 1 2 343.475 1.074 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCN(C2C[NH+](CC#CC)C2)CC1 ZINC000941437711 701540653 /nfs/dbraw/zinc/54/06/53/701540653.db2.gz DCZIBNKCOKBGHG-UHFFFAOYSA-N 1 2 326.444 1.139 20 30 EDEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047345 702012647 /nfs/dbraw/zinc/01/26/47/702012647.db2.gz PYFWGUPLYBWJSC-DOTOQJQBSA-N 1 2 337.427 1.226 20 30 EDEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047345 702012654 /nfs/dbraw/zinc/01/26/54/702012654.db2.gz PYFWGUPLYBWJSC-DOTOQJQBSA-N 1 2 337.427 1.226 20 30 EDEDLO CCn1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)nn1 ZINC000941966362 702262303 /nfs/dbraw/zinc/26/23/03/702262303.db2.gz JCKFSHZGCFEPHQ-DOMZBBRYSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1cc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)nn1 ZINC000941966362 702262306 /nfs/dbraw/zinc/26/23/06/702262306.db2.gz JCKFSHZGCFEPHQ-DOMZBBRYSA-N 1 2 341.419 1.138 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000996332525 702716748 /nfs/dbraw/zinc/71/67/48/702716748.db2.gz ZRNVXMRZOPXNBZ-HNNXBMFYSA-N 1 2 337.464 1.027 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000996332525 702716751 /nfs/dbraw/zinc/71/67/51/702716751.db2.gz ZRNVXMRZOPXNBZ-HNNXBMFYSA-N 1 2 337.464 1.027 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000996408688 702761721 /nfs/dbraw/zinc/76/17/21/702761721.db2.gz TVNVLNIFYACYEV-DZKIICNBSA-N 1 2 348.447 1.686 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C(=O)N(C)C)c1 ZINC001032312666 702958222 /nfs/dbraw/zinc/95/82/22/702958222.db2.gz UPAWHXWCRYIZRC-COXVUDFISA-N 1 2 340.427 1.333 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C(=O)N(C)C)c1 ZINC001032312666 702958223 /nfs/dbraw/zinc/95/82/23/702958223.db2.gz UPAWHXWCRYIZRC-COXVUDFISA-N 1 2 340.427 1.333 20 30 EDEDLO CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)cn1 ZINC001032322636 703034946 /nfs/dbraw/zinc/03/49/46/703034946.db2.gz VVDBKDOOYDOCKD-ROUUACIJSA-N 1 2 335.411 1.874 20 30 EDEDLO CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)cn1 ZINC001032322636 703034949 /nfs/dbraw/zinc/03/49/49/703034949.db2.gz VVDBKDOOYDOCKD-ROUUACIJSA-N 1 2 335.411 1.874 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)C[C@@H]2C)cc1 ZINC000942553204 703065550 /nfs/dbraw/zinc/06/55/50/703065550.db2.gz MRYDWOCMMMNVPS-WMLDXEAASA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)C[C@@H]2C)cc1 ZINC000942553204 703065555 /nfs/dbraw/zinc/06/55/55/703065555.db2.gz MRYDWOCMMMNVPS-WMLDXEAASA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C[C@H]2C)cc1 ZINC000942553239 703065617 /nfs/dbraw/zinc/06/56/17/703065617.db2.gz NKHYPMYBAJSQPR-DYVFJYSZSA-N 1 2 337.427 1.735 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)C[C@H]2C)cc1 ZINC000942553239 703065620 /nfs/dbraw/zinc/06/56/20/703065620.db2.gz NKHYPMYBAJSQPR-DYVFJYSZSA-N 1 2 337.427 1.735 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)C[C@@H]2C)CC1 ZINC000942600730 703116350 /nfs/dbraw/zinc/11/63/50/703116350.db2.gz UMPPACAQBJHVSA-HOCLYGCPSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)C[C@@H]2C)CC1 ZINC000942600730 703116352 /nfs/dbraw/zinc/11/63/52/703116352.db2.gz UMPPACAQBJHVSA-HOCLYGCPSA-N 1 2 331.464 1.888 20 30 EDEDLO CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C#N)c[nH]2)o1 ZINC001032339227 703157631 /nfs/dbraw/zinc/15/76/31/703157631.db2.gz JGGUAJIYAAVQGH-KBPBESRZSA-N 1 2 339.399 1.844 20 30 EDEDLO CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C#N)c[nH]2)o1 ZINC001032339227 703157633 /nfs/dbraw/zinc/15/76/33/703157633.db2.gz JGGUAJIYAAVQGH-KBPBESRZSA-N 1 2 339.399 1.844 20 30 EDEDLO CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000942854216 703387712 /nfs/dbraw/zinc/38/77/12/703387712.db2.gz OUOOIPMTVIOEIT-JSGCOSHPSA-N 1 2 339.399 1.786 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)NC1CC1 ZINC001032423007 703582430 /nfs/dbraw/zinc/58/24/30/703582430.db2.gz QZLPVBALSBCUOD-SWHYSGLUSA-N 1 2 339.867 1.717 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)NC1CC1 ZINC001032423007 703582432 /nfs/dbraw/zinc/58/24/32/703582432.db2.gz QZLPVBALSBCUOD-SWHYSGLUSA-N 1 2 339.867 1.717 20 30 EDEDLO C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@@H](C)N1CC#N ZINC000921628944 703772928 /nfs/dbraw/zinc/77/29/28/703772928.db2.gz JJCOQOXGLKGOCC-BZUAXINKSA-N 1 2 342.447 1.288 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2ccc(F)cc2O1 ZINC001032521242 703968014 /nfs/dbraw/zinc/96/80/14/703968014.db2.gz BKWHVKNLFCLAKS-YESZJQIVSA-N 1 2 328.387 1.828 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2ccc(F)cc2O1 ZINC001032521242 703968015 /nfs/dbraw/zinc/96/80/15/703968015.db2.gz BKWHVKNLFCLAKS-YESZJQIVSA-N 1 2 328.387 1.828 20 30 EDEDLO Cc1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c(C)nn1 ZINC001004450526 704435440 /nfs/dbraw/zinc/43/54/40/704435440.db2.gz MLUDEYPIZYFZOD-QGZVFWFLSA-N 1 2 327.432 1.934 20 30 EDEDLO Cc1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c(C)nn1 ZINC001004450526 704435441 /nfs/dbraw/zinc/43/54/41/704435441.db2.gz MLUDEYPIZYFZOD-QGZVFWFLSA-N 1 2 327.432 1.934 20 30 EDEDLO Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)o1 ZINC000995646943 704700555 /nfs/dbraw/zinc/70/05/55/704700555.db2.gz FKIMGUYHLOQRQX-CYBMUJFWSA-N 1 2 328.376 1.218 20 30 EDEDLO CN(C(=O)c1ccc(C#N)[nH]1)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000998632443 706065339 /nfs/dbraw/zinc/06/53/39/706065339.db2.gz QNWOLTSZKYEQAO-UHFFFAOYSA-N 1 2 340.387 1.540 20 30 EDEDLO CCc1noc(C[NH2+][C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998851879 706279156 /nfs/dbraw/zinc/27/91/56/706279156.db2.gz XUZLBUGHSKEFPU-LBPRGKRZSA-N 1 2 328.376 1.226 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nc(C)c(C)o2)C1 ZINC000998921971 706349956 /nfs/dbraw/zinc/34/99/56/706349956.db2.gz BXOSGKCRMBAHQA-JCYILVPMSA-N 1 2 344.459 1.468 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2nc(C)c(C)o2)C1 ZINC000998921971 706349957 /nfs/dbraw/zinc/34/99/57/706349957.db2.gz BXOSGKCRMBAHQA-JCYILVPMSA-N 1 2 344.459 1.468 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nocc2C)C1 ZINC000998927224 706355850 /nfs/dbraw/zinc/35/58/50/706355850.db2.gz DBWVPTOXYOLDLK-DQPZFDDXSA-N 1 2 330.432 1.160 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nocc2C)C1 ZINC000998927224 706355856 /nfs/dbraw/zinc/35/58/56/706355856.db2.gz DBWVPTOXYOLDLK-DQPZFDDXSA-N 1 2 330.432 1.160 20 30 EDEDLO Cc1nc(N2CC[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)c(C)c(C)[nH+]1 ZINC001061556893 707154633 /nfs/dbraw/zinc/15/46/33/707154633.db2.gz FOGSHEHZSFFENQ-AWEZNQCLSA-N 1 2 338.415 1.858 20 30 EDEDLO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001032719707 707285812 /nfs/dbraw/zinc/28/58/12/707285812.db2.gz RPOKGXBNCAPJCD-KKUMJFAQSA-N 1 2 326.462 1.063 20 30 EDEDLO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001032719707 707285822 /nfs/dbraw/zinc/28/58/22/707285822.db2.gz RPOKGXBNCAPJCD-KKUMJFAQSA-N 1 2 326.462 1.063 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033313807 707489001 /nfs/dbraw/zinc/48/90/01/707489001.db2.gz ZOWNWCIUOBPYQJ-ZDUSSCGKSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033313807 707489007 /nfs/dbraw/zinc/48/90/07/707489007.db2.gz ZOWNWCIUOBPYQJ-ZDUSSCGKSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)[C@@]1(F)CCOC1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033362155 707648664 /nfs/dbraw/zinc/64/86/64/707648664.db2.gz QDHSTJWSPKOLCP-PKOBYXMFSA-N 1 2 348.393 1.839 20 30 EDEDLO CN(C(=O)[C@@]1(F)CCOC1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033362155 707648670 /nfs/dbraw/zinc/64/86/70/707648670.db2.gz QDHSTJWSPKOLCP-PKOBYXMFSA-N 1 2 348.393 1.839 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](CNc2ccc(C#N)nc2)C1 ZINC001060906633 707747701 /nfs/dbraw/zinc/74/77/01/707747701.db2.gz ZCHPCNLUVYUSFD-CQSZACIVSA-N 1 2 338.415 1.580 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001033432439 707820166 /nfs/dbraw/zinc/82/01/66/707820166.db2.gz OHBNNMXMXYGSGZ-IMJJTQAJSA-N 1 2 333.432 1.861 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(CC)o2)C1 ZINC001033432439 707820170 /nfs/dbraw/zinc/82/01/70/707820170.db2.gz OHBNNMXMXYGSGZ-IMJJTQAJSA-N 1 2 333.432 1.861 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001033431680 707864147 /nfs/dbraw/zinc/86/41/47/707864147.db2.gz GYGQTDDOXUZJJJ-KURKYZTESA-N 1 2 344.459 1.453 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001033431680 707864150 /nfs/dbraw/zinc/86/41/50/707864150.db2.gz GYGQTDDOXUZJJJ-KURKYZTESA-N 1 2 344.459 1.453 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001033489860 707983781 /nfs/dbraw/zinc/98/37/81/707983781.db2.gz DANGODKGDINUQN-PVAVHDDUSA-N 1 2 347.463 1.312 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001033489860 707983784 /nfs/dbraw/zinc/98/37/84/707983784.db2.gz DANGODKGDINUQN-PVAVHDDUSA-N 1 2 347.463 1.312 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001033498384 707994435 /nfs/dbraw/zinc/99/44/35/707994435.db2.gz XVWUTMJWHBSXIA-RYRKJORJSA-N 1 2 346.475 1.917 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001033498384 707994438 /nfs/dbraw/zinc/99/44/38/707994438.db2.gz XVWUTMJWHBSXIA-RYRKJORJSA-N 1 2 346.475 1.917 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(NC(=O)NC)cc1 ZINC001032810432 708113993 /nfs/dbraw/zinc/11/39/93/708113993.db2.gz FKFZZTVHRPDRIR-HOTGVXAUSA-N 1 2 326.400 1.360 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(NC(=O)NC)cc1 ZINC001032810432 708113995 /nfs/dbraw/zinc/11/39/95/708113995.db2.gz FKFZZTVHRPDRIR-HOTGVXAUSA-N 1 2 326.400 1.360 20 30 EDEDLO C[C@@H](c1nncn1C)[NH+]1CCC(N(C)C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001005217916 708241729 /nfs/dbraw/zinc/24/17/29/708241729.db2.gz CTCOOXIRTLHNQM-LBPRGKRZSA-N 1 2 341.419 1.312 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cncc(F)c3)C2)nc1 ZINC001033595011 708297960 /nfs/dbraw/zinc/29/79/60/708297960.db2.gz YXPZTPWHJJKOMY-QGZVFWFLSA-N 1 2 338.386 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncc(F)c3)C2)nc1 ZINC001033595011 708297962 /nfs/dbraw/zinc/29/79/62/708297962.db2.gz YXPZTPWHJJKOMY-QGZVFWFLSA-N 1 2 338.386 1.944 20 30 EDEDLO N#Cc1nccnc1N1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001061679862 708416584 /nfs/dbraw/zinc/41/65/84/708416584.db2.gz AHVFAPJCRWZAOX-CYBMUJFWSA-N 1 2 347.382 1.252 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC001001931644 708437896 /nfs/dbraw/zinc/43/78/96/708437896.db2.gz PWDIGALFZMOFMO-RDJZCZTQSA-N 1 2 347.463 1.423 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033705210 708534478 /nfs/dbraw/zinc/53/44/78/708534478.db2.gz FQQNDNVVPGTMQR-AWEZNQCLSA-N 1 2 343.362 1.735 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033705210 708534480 /nfs/dbraw/zinc/53/44/80/708534480.db2.gz FQQNDNVVPGTMQR-AWEZNQCLSA-N 1 2 343.362 1.735 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3nnc(C)o3)CC2)cn1 ZINC001002054725 708586723 /nfs/dbraw/zinc/58/67/23/708586723.db2.gz HTRYTNIPHKOOEK-UHFFFAOYSA-N 1 2 339.399 1.396 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCOC2)C1 ZINC001033765570 708678854 /nfs/dbraw/zinc/67/88/54/708678854.db2.gz DRTTWQYPGZITEE-OLZOCXBDSA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCOC2)C1 ZINC001033765570 708678856 /nfs/dbraw/zinc/67/88/56/708678856.db2.gz DRTTWQYPGZITEE-OLZOCXBDSA-N 1 2 331.254 1.854 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001033785525 708694026 /nfs/dbraw/zinc/69/40/26/708694026.db2.gz JUQORGAKLSHJFN-BXUZGUMPSA-N 1 2 342.403 1.875 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001033785525 708694028 /nfs/dbraw/zinc/69/40/28/708694028.db2.gz JUQORGAKLSHJFN-BXUZGUMPSA-N 1 2 342.403 1.875 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001033801899 708794700 /nfs/dbraw/zinc/79/47/00/708794700.db2.gz MQUATKNELQFOJD-IAQYHMDHSA-N 1 2 342.403 1.875 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001033801899 708794702 /nfs/dbraw/zinc/79/47/02/708794702.db2.gz MQUATKNELQFOJD-IAQYHMDHSA-N 1 2 342.403 1.875 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC001033802625 708796783 /nfs/dbraw/zinc/79/67/83/708796783.db2.gz YTFKUDNMONTACU-ABAIWWIYSA-N 1 2 342.403 1.875 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+]([C@H](C)c2nc(C)no2)C1 ZINC001033802625 708796786 /nfs/dbraw/zinc/79/67/86/708796786.db2.gz YTFKUDNMONTACU-ABAIWWIYSA-N 1 2 342.403 1.875 20 30 EDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)C1CCN(CC#N)CC1 ZINC001005394699 708874673 /nfs/dbraw/zinc/87/46/73/708874673.db2.gz DDQYNWVLILGAIH-NVXWUHKLSA-N 1 2 341.459 1.600 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2nnn(C(C)(C)C)n2)CC1 ZINC001005418510 708953444 /nfs/dbraw/zinc/95/34/44/708953444.db2.gz PEPYPSFNIPRAQI-UHFFFAOYSA-N 1 2 340.859 1.717 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC001061096711 709041499 /nfs/dbraw/zinc/04/14/99/709041499.db2.gz WJLNKNWLTCGWSK-HUUCEWRRSA-N 1 2 338.415 1.769 20 30 EDEDLO Cn1cnc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC001002603815 709166363 /nfs/dbraw/zinc/16/63/63/709166363.db2.gz XROXRJGGMOIOQC-UHFFFAOYSA-N 1 2 341.390 1.825 20 30 EDEDLO C=CCn1cc(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccns3)C2)nn1 ZINC001033979754 709187469 /nfs/dbraw/zinc/18/74/69/709187469.db2.gz MPGBHEQPUIHRDM-CYBMUJFWSA-N 1 2 346.460 1.657 20 30 EDEDLO C=CCn1cc(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccns3)C2)nn1 ZINC001033979754 709187471 /nfs/dbraw/zinc/18/74/71/709187471.db2.gz MPGBHEQPUIHRDM-CYBMUJFWSA-N 1 2 346.460 1.657 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[C@H](Nc3cc[nH+]c(C)n3)C2)nn1 ZINC001061136053 709344214 /nfs/dbraw/zinc/34/42/14/709344214.db2.gz KFTAQBXVYXYEAQ-UONOGXRCSA-N 1 2 341.419 1.716 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001034142098 709393096 /nfs/dbraw/zinc/39/30/96/709393096.db2.gz KAWHQQNGHIUZLW-CYBMUJFWSA-N 1 2 341.253 1.832 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001034142098 709393097 /nfs/dbraw/zinc/39/30/97/709393097.db2.gz KAWHQQNGHIUZLW-CYBMUJFWSA-N 1 2 341.253 1.832 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001016335156 709442044 /nfs/dbraw/zinc/44/20/44/709442044.db2.gz BAJRGXBPLPMNAA-NEPJUHHUSA-N 1 2 339.789 1.956 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001016335156 709442045 /nfs/dbraw/zinc/44/20/45/709442045.db2.gz BAJRGXBPLPMNAA-NEPJUHHUSA-N 1 2 339.789 1.956 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nonc2C)C1 ZINC001034211566 709562178 /nfs/dbraw/zinc/56/21/78/709562178.db2.gz BYIFUXWWVSQKRF-UXLLHSPISA-N 1 2 348.447 1.830 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nonc2C)C1 ZINC001034211566 709562181 /nfs/dbraw/zinc/56/21/81/709562181.db2.gz BYIFUXWWVSQKRF-UXLLHSPISA-N 1 2 348.447 1.830 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cn(C)nn2)C1 ZINC001034212387 709563022 /nfs/dbraw/zinc/56/30/22/709563022.db2.gz JJXWFFMEFRXZJU-UAGQMJEPSA-N 1 2 347.463 1.267 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cn(C)nn2)C1 ZINC001034212387 709563026 /nfs/dbraw/zinc/56/30/26/709563026.db2.gz JJXWFFMEFRXZJU-UAGQMJEPSA-N 1 2 347.463 1.267 20 30 EDEDLO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001034237625 709617764 /nfs/dbraw/zinc/61/77/64/709617764.db2.gz ADQIEJVWENPIHS-HUUCEWRRSA-N 1 2 328.478 1.501 20 30 EDEDLO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC001034237625 709617766 /nfs/dbraw/zinc/61/77/66/709617766.db2.gz ADQIEJVWENPIHS-HUUCEWRRSA-N 1 2 328.478 1.501 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001034363146 709879999 /nfs/dbraw/zinc/87/99/99/709879999.db2.gz LSXNINQQMXZIAV-TZMCWYRMSA-N 1 2 349.244 1.994 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001034363146 709879994 /nfs/dbraw/zinc/87/99/94/709879994.db2.gz LSXNINQQMXZIAV-TZMCWYRMSA-N 1 2 349.244 1.994 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC001003210276 710120899 /nfs/dbraw/zinc/12/08/99/710120899.db2.gz OUYVNVPIBXZGHB-VXGBXAGGSA-N 1 2 331.254 1.901 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)c3cn[nH]n3)CC2)c1 ZINC001003231862 710153769 /nfs/dbraw/zinc/15/37/69/710153769.db2.gz SLKOFLZWSBQIPD-UHFFFAOYSA-N 1 2 328.351 1.210 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)c3cnn[nH]3)CC2)c1 ZINC001003231862 710153774 /nfs/dbraw/zinc/15/37/74/710153774.db2.gz SLKOFLZWSBQIPD-UHFFFAOYSA-N 1 2 328.351 1.210 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001061755947 710157495 /nfs/dbraw/zinc/15/74/95/710157495.db2.gz VJKRQXXTWXBJDQ-CABCVRRESA-N 1 2 348.447 1.390 20 30 EDEDLO C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2CC[C@H](NCC#N)CC2)[nH]n1 ZINC001034648773 710325323 /nfs/dbraw/zinc/32/53/23/710325323.db2.gz ALQUOIIIKMEYPN-XEZPLFJOSA-N 1 2 330.436 1.331 20 30 EDEDLO C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2CC[C@H](NCC#N)CC2)[nH]n1 ZINC001034648773 710325327 /nfs/dbraw/zinc/32/53/27/710325327.db2.gz ALQUOIIIKMEYPN-XEZPLFJOSA-N 1 2 330.436 1.331 20 30 EDEDLO C=CCn1cc(C(=O)NC2CC[NH+](Cc3nc(C)oc3C)CC2)nn1 ZINC001003759364 710531709 /nfs/dbraw/zinc/53/17/09/710531709.db2.gz JOJJXQQTJJKYRP-UHFFFAOYSA-N 1 2 344.419 1.463 20 30 EDEDLO CN(C(=O)[C@@H]1COCCO1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032920115 710768167 /nfs/dbraw/zinc/76/81/67/710768167.db2.gz MYDCGQGAOVVFSZ-WBVHZDCISA-N 1 2 347.390 1.145 20 30 EDEDLO CN(C(=O)[C@@H]1COCCO1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032920115 710768169 /nfs/dbraw/zinc/76/81/69/710768169.db2.gz MYDCGQGAOVVFSZ-WBVHZDCISA-N 1 2 347.390 1.145 20 30 EDEDLO Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)c(C)o1 ZINC001032984595 711141059 /nfs/dbraw/zinc/14/10/59/711141059.db2.gz BRWJPFUFSBYONY-AWEZNQCLSA-N 1 2 327.388 1.838 20 30 EDEDLO Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)c(C)o1 ZINC001032984595 711141061 /nfs/dbraw/zinc/14/10/61/711141061.db2.gz BRWJPFUFSBYONY-AWEZNQCLSA-N 1 2 327.388 1.838 20 30 EDEDLO Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)nn1C ZINC001032984696 711141939 /nfs/dbraw/zinc/14/19/39/711141939.db2.gz CGAGEPGMOZBZIQ-HNNXBMFYSA-N 1 2 326.404 1.275 20 30 EDEDLO Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)nn1C ZINC001032984696 711141941 /nfs/dbraw/zinc/14/19/41/711141941.db2.gz CGAGEPGMOZBZIQ-HNNXBMFYSA-N 1 2 326.404 1.275 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2COC(=O)C2)C1 ZINC001033011900 711243384 /nfs/dbraw/zinc/24/33/84/711243384.db2.gz QJJKXTNWIDXOHS-NEPJUHHUSA-N 1 2 345.237 1.381 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2COC(=O)C2)C1 ZINC001033011900 711243386 /nfs/dbraw/zinc/24/33/86/711243386.db2.gz QJJKXTNWIDXOHS-NEPJUHHUSA-N 1 2 345.237 1.381 20 30 EDEDLO CC(C)c1noc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)n1 ZINC001034911801 711340163 /nfs/dbraw/zinc/34/01/63/711340163.db2.gz IPSJMYIGNVQLRK-CYBMUJFWSA-N 1 2 342.403 1.787 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C)no1 ZINC001034941420 711446021 /nfs/dbraw/zinc/44/60/21/711446021.db2.gz JAEATOPSBJUCNH-KFWWJZLASA-N 1 2 334.420 1.440 20 30 EDEDLO N#Cc1cccnc1N1CCC[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001061409542 711579216 /nfs/dbraw/zinc/57/92/16/711579216.db2.gz YJUGXTMWQFHYMZ-HNNXBMFYSA-N 1 2 346.394 2.000 20 30 EDEDLO CN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033053804 711615891 /nfs/dbraw/zinc/61/58/91/711615891.db2.gz CBJRWWXSQVSLDG-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033053804 711615893 /nfs/dbraw/zinc/61/58/93/711615893.db2.gz CBJRWWXSQVSLDG-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO C=CCCn1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)nn1 ZINC001004578709 712009813 /nfs/dbraw/zinc/00/98/13/712009813.db2.gz LIZMWYQZAFIQPY-QGZVFWFLSA-N 1 2 342.447 1.694 20 30 EDEDLO C=CCCn1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)nn1 ZINC001004578709 712009816 /nfs/dbraw/zinc/00/98/16/712009816.db2.gz LIZMWYQZAFIQPY-QGZVFWFLSA-N 1 2 342.447 1.694 20 30 EDEDLO Cn1nc2c(c1C(=O)N1CCC([C@H]3CCC[N@@H+]3CC#N)CC1)CCC2 ZINC001004596197 712036296 /nfs/dbraw/zinc/03/62/96/712036296.db2.gz KPTXDYHIHUPQLC-QGZVFWFLSA-N 1 2 341.459 1.749 20 30 EDEDLO Cn1nc2c(c1C(=O)N1CCC([C@H]3CCC[N@H+]3CC#N)CC1)CCC2 ZINC001004596197 712036298 /nfs/dbraw/zinc/03/62/98/712036298.db2.gz KPTXDYHIHUPQLC-QGZVFWFLSA-N 1 2 341.459 1.749 20 30 EDEDLO CN(C)c1nc(N)nc(CO[NH+]=C(N)Cc2ccc(Cl)cc2)n1 ZINC000106067287 529802960 /nfs/dbraw/zinc/80/29/60/529802960.db2.gz KGFMSJDOWYRCSJ-UHFFFAOYSA-N 1 2 335.799 1.205 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC(c3ncc[nH]3)CC2)CCO1 ZINC000328769260 539365033 /nfs/dbraw/zinc/36/50/33/539365033.db2.gz QPAPDYHEHJGXKW-UHFFFAOYSA-N 1 2 335.452 1.614 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC(c3ncc[nH]3)CC2)CCO1 ZINC000328769260 539365038 /nfs/dbraw/zinc/36/50/38/539365038.db2.gz QPAPDYHEHJGXKW-UHFFFAOYSA-N 1 2 335.452 1.614 20 30 EDEDLO CN(CCC#N)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000098101219 529868121 /nfs/dbraw/zinc/86/81/21/529868121.db2.gz ULKDSTZLYXDELM-UHFFFAOYSA-N 1 2 325.372 1.898 20 30 EDEDLO CC1CCN(c2ccc(CNC(=O)NC[C@H]3COCCO3)c[nH+]2)CC1 ZINC000328869348 539373977 /nfs/dbraw/zinc/37/39/77/539373977.db2.gz PDTAQXLCUUPZSS-INIZCTEOSA-N 1 2 348.447 1.737 20 30 EDEDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000101543810 219134264 /nfs/dbraw/zinc/13/42/64/219134264.db2.gz BXQPYXHKIDSGNZ-INIZCTEOSA-N 1 2 343.475 1.968 20 30 EDEDLO N#CCNC(=O)C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000066497158 215048714 /nfs/dbraw/zinc/04/87/14/215048714.db2.gz BXSTVSDGHUADAW-UHFFFAOYSA-N 1 2 349.822 1.519 20 30 EDEDLO N#CCNC(=O)C[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000066497158 215048717 /nfs/dbraw/zinc/04/87/17/215048717.db2.gz BXSTVSDGHUADAW-UHFFFAOYSA-N 1 2 349.822 1.519 20 30 EDEDLO CS(=O)(=O)CCCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000103139474 219260906 /nfs/dbraw/zinc/26/09/06/219260906.db2.gz SRYPDRQAAMCVIM-UHFFFAOYSA-N 1 2 335.473 1.501 20 30 EDEDLO CS(=O)(=O)CCCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000103139474 219260910 /nfs/dbraw/zinc/26/09/10/219260910.db2.gz SRYPDRQAAMCVIM-UHFFFAOYSA-N 1 2 335.473 1.501 20 30 EDEDLO Cc1ccc([C@@H](CNC(=O)c2c[nH]c(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000181236193 234127943 /nfs/dbraw/zinc/12/79/43/234127943.db2.gz PJEWJDZPBSAAKF-GOSISDBHSA-N 1 2 338.411 1.998 20 30 EDEDLO Cc1cccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1C#N ZINC000090202227 138278014 /nfs/dbraw/zinc/27/80/14/138278014.db2.gz PLZSYHSMVQGGRY-HUUCEWRRSA-N 1 2 349.456 1.398 20 30 EDEDLO Cc1cccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1C#N ZINC000090202227 138278015 /nfs/dbraw/zinc/27/80/15/138278015.db2.gz PLZSYHSMVQGGRY-HUUCEWRRSA-N 1 2 349.456 1.398 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)NC2=NO[C@H](C)C2)[C@@H]1c1c[nH+]cn1C ZINC000373590260 283310775 /nfs/dbraw/zinc/31/07/75/283310775.db2.gz AEKPNWLUFLITTG-XHBSWPGZSA-N 1 2 347.419 1.348 20 30 EDEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000072073614 216003556 /nfs/dbraw/zinc/00/35/56/216003556.db2.gz SXJWJBDDWOSICP-HNNXBMFYSA-N 1 2 330.432 1.221 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000079496739 217235616 /nfs/dbraw/zinc/23/56/16/217235616.db2.gz SLBXFTNIASBUPD-CABCVRRESA-N 1 2 336.505 1.684 20 30 EDEDLO C=C(Cl)CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000269156084 249378459 /nfs/dbraw/zinc/37/84/59/249378459.db2.gz QKLYJMIQCGLLOJ-UHFFFAOYSA-N 1 2 331.844 1.844 20 30 EDEDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248732621 139173416 /nfs/dbraw/zinc/17/34/16/139173416.db2.gz JYTWUPXYCTWIJW-LPHOPBHVSA-N 1 2 340.427 1.784 20 30 EDEDLO C[C@@]1(C(N)=O)CCCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248732621 139173417 /nfs/dbraw/zinc/17/34/17/139173417.db2.gz JYTWUPXYCTWIJW-LPHOPBHVSA-N 1 2 340.427 1.784 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000341984947 250004841 /nfs/dbraw/zinc/00/48/41/250004841.db2.gz HSTWSUDHIXSTHX-UHFFFAOYSA-N 1 2 349.406 1.573 20 30 EDEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347053920 250051757 /nfs/dbraw/zinc/05/17/57/250051757.db2.gz LIKMTZOGPJPNOG-JCQPUDPBSA-N 1 2 333.457 1.979 20 30 EDEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347053920 250051761 /nfs/dbraw/zinc/05/17/61/250051761.db2.gz LIKMTZOGPJPNOG-JCQPUDPBSA-N 1 2 333.457 1.979 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH2+][C@](C)(CC(=O)OC)c1ccccn1 ZINC000351818375 250066945 /nfs/dbraw/zinc/06/69/45/250066945.db2.gz ZBANMULHMBWNOX-QGZVFWFLSA-N 1 2 332.404 1.212 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000352238179 250075828 /nfs/dbraw/zinc/07/58/28/250075828.db2.gz NRSBKFCBPOMSLD-CABCVRRESA-N 1 2 347.463 1.096 20 30 EDEDLO C=CCSCCNC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000355284407 250110517 /nfs/dbraw/zinc/11/05/17/250110517.db2.gz AHBPAGFZZZLPHN-UHFFFAOYSA-N 1 2 348.472 1.074 20 30 EDEDLO COCC[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000355586669 250117274 /nfs/dbraw/zinc/11/72/74/250117274.db2.gz UXDJJIOEJYTAFE-UHFFFAOYSA-N 1 2 329.466 1.054 20 30 EDEDLO CC(C)OCCS(=O)(=O)N1CC[NH+](CCCSCC#N)CC1 ZINC000355786066 250122385 /nfs/dbraw/zinc/12/23/85/250122385.db2.gz RRMFWCWLKRGKFC-UHFFFAOYSA-N 1 2 349.522 1.006 20 30 EDEDLO C=CCCC1(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000355791973 250122586 /nfs/dbraw/zinc/12/25/86/250122586.db2.gz JZGNICKLVNVQMY-INIZCTEOSA-N 1 2 349.475 1.124 20 30 EDEDLO Cc1nc(N2CCN(C(=O)NCC(C)(C)CCC#N)CC2)cc[nH+]1 ZINC000358695645 250141267 /nfs/dbraw/zinc/14/12/67/250141267.db2.gz RBWVEJDNSGRNAR-UHFFFAOYSA-N 1 2 330.436 1.947 20 30 EDEDLO C#CCOCCC(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000360792274 250166292 /nfs/dbraw/zinc/16/62/92/250166292.db2.gz KPHARDOVARLINW-UHFFFAOYSA-N 1 2 344.459 1.212 20 30 EDEDLO COCC[NH+]1CCN(C(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000368590853 250200883 /nfs/dbraw/zinc/20/08/83/250200883.db2.gz LEEIRZSOSOAKFY-IBGZPJMESA-N 1 2 327.428 1.476 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000373501623 250239612 /nfs/dbraw/zinc/23/96/12/250239612.db2.gz RDYPHXILNLUGGR-SDKMPEEESA-N 1 2 330.428 1.295 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000373501623 250239615 /nfs/dbraw/zinc/23/96/15/250239615.db2.gz RDYPHXILNLUGGR-SDKMPEEESA-N 1 2 330.428 1.295 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000375958211 250282491 /nfs/dbraw/zinc/28/24/91/250282491.db2.gz BTSXORAGSWCDSL-MSOLQXFVSA-N 1 2 333.407 1.773 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000375958211 250282496 /nfs/dbraw/zinc/28/24/96/250282496.db2.gz BTSXORAGSWCDSL-MSOLQXFVSA-N 1 2 333.407 1.773 20 30 EDEDLO C#CCCS(=O)(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000377313638 250289368 /nfs/dbraw/zinc/28/93/68/250289368.db2.gz HPHSXMMWCXWWFX-UHFFFAOYSA-N 1 2 341.502 1.606 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000253296098 139205843 /nfs/dbraw/zinc/20/58/43/139205843.db2.gz NZCFJDPXTYTTAT-MNOVXSKESA-N 1 2 329.326 1.172 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000253296098 139205844 /nfs/dbraw/zinc/20/58/44/139205844.db2.gz NZCFJDPXTYTTAT-MNOVXSKESA-N 1 2 329.326 1.172 20 30 EDEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)nn1 ZINC000424294287 252192632 /nfs/dbraw/zinc/19/26/32/252192632.db2.gz KFXGQRJAXGYROZ-CYBMUJFWSA-N 1 2 349.460 1.565 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000263650081 139349888 /nfs/dbraw/zinc/34/98/88/139349888.db2.gz CQFSYLSEAKSULU-HNNXBMFYSA-N 1 2 338.415 1.675 20 30 EDEDLO Cc1ncc(S(=O)(=O)NCc2ccc[nH+]c2N(C)C)cc1C#N ZINC000489122283 255065607 /nfs/dbraw/zinc/06/56/07/255065607.db2.gz JRDFBTNAAYQXQA-UHFFFAOYSA-N 1 2 331.401 1.201 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000491534675 255128841 /nfs/dbraw/zinc/12/88/41/255128841.db2.gz YOMYKWVXHZKEMZ-QZDDGCDVSA-N 1 2 329.400 1.439 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000491534675 255128842 /nfs/dbraw/zinc/12/88/42/255128842.db2.gz YOMYKWVXHZKEMZ-QZDDGCDVSA-N 1 2 329.400 1.439 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000491545669 255130586 /nfs/dbraw/zinc/13/05/86/255130586.db2.gz ITWLXZGLTREIGE-VOTSOKGWSA-N 1 2 335.411 1.649 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000491546912 255131194 /nfs/dbraw/zinc/13/11/94/255131194.db2.gz MQGGVGABYIIFRV-WAYWQWQTSA-N 1 2 335.411 1.649 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2-c2ccnn2C)CC1 ZINC000490741212 255104103 /nfs/dbraw/zinc/10/41/03/255104103.db2.gz SWGDOIGJMDPPJS-UHFFFAOYSA-N 1 2 338.411 1.243 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(-n3cccn3)c(F)c2)CC1 ZINC000490780025 255106839 /nfs/dbraw/zinc/10/68/39/255106839.db2.gz DCXJFQPVZCLJQV-UHFFFAOYSA-N 1 2 341.390 1.201 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)CCS(=O)(=O)Oc2ccccc2)n1 ZINC000491637701 255135611 /nfs/dbraw/zinc/13/56/11/255135611.db2.gz YKQQCGHYOIFAAD-UHFFFAOYSA-N 1 2 347.440 1.747 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)CCS(=O)(=O)Oc2ccccc2)n1 ZINC000491637701 255135613 /nfs/dbraw/zinc/13/56/13/255135613.db2.gz YKQQCGHYOIFAAD-UHFFFAOYSA-N 1 2 347.440 1.747 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2OC)CC1 ZINC000491699871 255142820 /nfs/dbraw/zinc/14/28/20/255142820.db2.gz JQBYQPZRGPVCER-UHFFFAOYSA-N 1 2 335.835 1.216 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC000491624458 255133097 /nfs/dbraw/zinc/13/30/97/255133097.db2.gz JMQMTDNPCQMEOB-JXFKEZNVSA-N 1 2 347.503 1.733 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC000491624458 255133098 /nfs/dbraw/zinc/13/30/98/255133098.db2.gz JMQMTDNPCQMEOB-JXFKEZNVSA-N 1 2 347.503 1.733 20 30 EDEDLO C[C@H](NC(=O)/C=C\c1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493324239 255204146 /nfs/dbraw/zinc/20/41/46/255204146.db2.gz QUTPRHJFSSVUSK-GDUXWQPWSA-N 1 2 328.416 1.165 20 30 EDEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]O[C@@H]2CCNC2=O)cc1 ZINC000495463347 255286392 /nfs/dbraw/zinc/28/63/92/255286392.db2.gz IVJOZUUTNVGLCC-CYBMUJFWSA-N 1 2 348.403 1.237 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCc1[nH]cc[nH+]1 ZINC000496284920 255375062 /nfs/dbraw/zinc/37/50/62/255375062.db2.gz QKYSKNLWBFXXJP-GFCCVEGCSA-N 1 2 335.408 1.656 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1C#N ZINC000119533673 221341945 /nfs/dbraw/zinc/34/19/45/221341945.db2.gz ZRTOAHFXNRKTLQ-GFCCVEGCSA-N 1 2 346.412 1.594 20 30 EDEDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000158540544 533401861 /nfs/dbraw/zinc/40/18/61/533401861.db2.gz ZNTOFEBSRKAXMF-MRXNPFEDSA-N 1 2 339.436 1.991 20 30 EDEDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000158540544 533401872 /nfs/dbraw/zinc/40/18/72/533401872.db2.gz ZNTOFEBSRKAXMF-MRXNPFEDSA-N 1 2 339.436 1.991 20 30 EDEDLO COc1ccc(CC(N)=[NH+]O[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000111176960 533420788 /nfs/dbraw/zinc/42/07/88/533420788.db2.gz MPOLKVIEYIBWKA-OAHLLOKOSA-N 1 2 343.387 1.066 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1O ZINC000270834104 140179164 /nfs/dbraw/zinc/17/91/64/140179164.db2.gz DBPYMUNEQKMZQI-CJNGLKHVSA-N 1 2 339.399 1.385 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1O ZINC000270834104 140179166 /nfs/dbraw/zinc/17/91/66/140179166.db2.gz DBPYMUNEQKMZQI-CJNGLKHVSA-N 1 2 339.399 1.385 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000270861938 140185252 /nfs/dbraw/zinc/18/52/52/140185252.db2.gz IIRFDWNLDRIXTD-HNNXBMFYSA-N 1 2 347.440 1.029 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000270861938 140185253 /nfs/dbraw/zinc/18/52/53/140185253.db2.gz IIRFDWNLDRIXTD-HNNXBMFYSA-N 1 2 347.440 1.029 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C[C@@H]21 ZINC000332196921 141138518 /nfs/dbraw/zinc/13/85/18/141138518.db2.gz RMYLJLMHWNBMEO-HOTGVXAUSA-N 1 2 331.391 1.516 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C[C@@H]21 ZINC000332196921 141138520 /nfs/dbraw/zinc/13/85/20/141138520.db2.gz RMYLJLMHWNBMEO-HOTGVXAUSA-N 1 2 331.391 1.516 20 30 EDEDLO Cc1c([C@@H]2[C@@H]([NH2+]Cc3nc(C#N)cs3)CC(=O)N2C)cnn1C ZINC000352955133 149228245 /nfs/dbraw/zinc/22/82/45/149228245.db2.gz YHJISOBBCDHMRK-SWLSCSKDSA-N 1 2 330.417 1.118 20 30 EDEDLO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355101383 150116290 /nfs/dbraw/zinc/11/62/90/150116290.db2.gz QCCBLCSFHGSGOD-LJQANCHMSA-N 1 2 349.438 1.905 20 30 EDEDLO Cc1cccc(CNC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000355102650 150118375 /nfs/dbraw/zinc/11/83/75/150118375.db2.gz RRCIQIIVAFKULV-UHFFFAOYSA-N 1 2 349.438 1.700 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)nc1 ZINC000355417906 150261096 /nfs/dbraw/zinc/26/10/96/150261096.db2.gz JJXHJLWICAMXOV-DEOSSOPVSA-N 1 2 340.452 1.883 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000355432625 150265898 /nfs/dbraw/zinc/26/58/98/150265898.db2.gz VHLGUXMOPAUONV-MPGHIAIKSA-N 1 2 343.427 1.647 20 30 EDEDLO CN(C)C(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)[nH]1 ZINC000355448255 150271797 /nfs/dbraw/zinc/27/17/97/150271797.db2.gz VAHWBVHBMBAOAG-UHFFFAOYSA-N 1 2 338.415 1.305 20 30 EDEDLO N#Cc1ccc(OCC[NH+]2CCN([C@@H]3CCCCNC3=O)CC2)cc1 ZINC000360849957 152228794 /nfs/dbraw/zinc/22/87/94/152228794.db2.gz KMUBKJTYJKTYSW-GOSISDBHSA-N 1 2 342.443 1.223 20 30 EDEDLO Cn1cc[nH+]c1CN1CCCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000364148122 153156180 /nfs/dbraw/zinc/15/61/80/153156180.db2.gz XCEQTVJEDWBQHJ-UHFFFAOYSA-N 1 2 329.429 1.701 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@H+](CCC(=O)N3CCOCC3)CCO2)c1 ZINC000372342795 156344204 /nfs/dbraw/zinc/34/42/04/156344204.db2.gz YTVIQAHXHHHUEG-KRWDZBQOSA-N 1 2 329.400 1.180 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCC(=O)N3CCOCC3)CCO2)c1 ZINC000372342795 156344205 /nfs/dbraw/zinc/34/42/05/156344205.db2.gz YTVIQAHXHHHUEG-KRWDZBQOSA-N 1 2 329.400 1.180 20 30 EDEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000472323509 287180786 /nfs/dbraw/zinc/18/07/86/287180786.db2.gz IBPAHTVWPYKYQR-RYRKJORJSA-N 1 2 336.480 1.762 20 30 EDEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000472323509 287180787 /nfs/dbraw/zinc/18/07/87/287180787.db2.gz IBPAHTVWPYKYQR-RYRKJORJSA-N 1 2 336.480 1.762 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000115544257 287345098 /nfs/dbraw/zinc/34/50/98/287345098.db2.gz OXSBNLZLDQXZHQ-RDJZCZTQSA-N 1 2 326.400 1.171 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000115544257 287345100 /nfs/dbraw/zinc/34/51/00/287345100.db2.gz OXSBNLZLDQXZHQ-RDJZCZTQSA-N 1 2 326.400 1.171 20 30 EDEDLO COc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000516358170 269777608 /nfs/dbraw/zinc/77/76/08/269777608.db2.gz DICZUPYVAHYKSR-UHFFFAOYSA-N 1 2 346.412 1.824 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000431718757 269903482 /nfs/dbraw/zinc/90/34/82/269903482.db2.gz KNNWESSKNHBPCL-UHFFFAOYSA-N 1 2 337.383 1.935 20 30 EDEDLO N#CCC[N@H+](CCCOc1cccc(C#N)c1)CCN1CCOCC1 ZINC000156628493 270008822 /nfs/dbraw/zinc/00/88/22/270008822.db2.gz GMNYBJVKFDOKHF-UHFFFAOYSA-N 1 2 342.443 1.875 20 30 EDEDLO N#CCC[N@@H+](CCCOc1cccc(C#N)c1)CCN1CCOCC1 ZINC000156628493 270008823 /nfs/dbraw/zinc/00/88/23/270008823.db2.gz GMNYBJVKFDOKHF-UHFFFAOYSA-N 1 2 342.443 1.875 20 30 EDEDLO N#CCCN(CCCOc1cccc(C#N)c1)CC[NH+]1CCOCC1 ZINC000156628493 270008824 /nfs/dbraw/zinc/00/88/24/270008824.db2.gz GMNYBJVKFDOKHF-UHFFFAOYSA-N 1 2 342.443 1.875 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000293652613 270010960 /nfs/dbraw/zinc/01/09/60/270010960.db2.gz HBCSHYFJWRDNSA-OAHLLOKOSA-N 1 2 325.372 1.299 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1C#N ZINC000534469438 270016142 /nfs/dbraw/zinc/01/61/42/270016142.db2.gz CAYRHNNRLBTBFN-HNNXBMFYSA-N 1 2 341.411 1.932 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c1C#N ZINC000534469438 270016143 /nfs/dbraw/zinc/01/61/43/270016143.db2.gz CAYRHNNRLBTBFN-HNNXBMFYSA-N 1 2 341.411 1.932 20 30 EDEDLO CC(C)NS(=O)(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000284398976 265859702 /nfs/dbraw/zinc/85/97/02/265859702.db2.gz WGFIOTLUOWNTRL-CQSZACIVSA-N 1 2 336.461 1.480 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000286308155 266162662 /nfs/dbraw/zinc/16/26/62/266162662.db2.gz YZFUMLUPSYSWSX-UHFFFAOYSA-N 1 2 327.841 1.316 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000286308155 266162665 /nfs/dbraw/zinc/16/26/65/266162665.db2.gz YZFUMLUPSYSWSX-UHFFFAOYSA-N 1 2 327.841 1.316 20 30 EDEDLO CCOCCOCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000276132127 266280871 /nfs/dbraw/zinc/28/08/71/266280871.db2.gz CZXUAXCZVGMULS-UHFFFAOYSA-N 1 2 340.445 1.317 20 30 EDEDLO CCOCCOCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000276132127 266280874 /nfs/dbraw/zinc/28/08/74/266280874.db2.gz CZXUAXCZVGMULS-UHFFFAOYSA-N 1 2 340.445 1.317 20 30 EDEDLO CCCN1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C(C)(C)C1=O ZINC000528463389 267018848 /nfs/dbraw/zinc/01/88/48/267018848.db2.gz GVEBMGIEERVLKW-INIZCTEOSA-N 1 2 345.443 1.631 20 30 EDEDLO CCCN1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C(C)(C)C1=O ZINC000528463389 267018849 /nfs/dbraw/zinc/01/88/49/267018849.db2.gz GVEBMGIEERVLKW-INIZCTEOSA-N 1 2 345.443 1.631 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428469136 267056373 /nfs/dbraw/zinc/05/63/73/267056373.db2.gz SBGQHBGEXNOCDA-UHFFFAOYSA-N 1 2 332.423 1.683 20 30 EDEDLO CCOC[C@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000528724040 267143275 /nfs/dbraw/zinc/14/32/75/267143275.db2.gz LADSCLOCFGXZGA-QZTJIDSGSA-N 1 2 343.427 1.791 20 30 EDEDLO CCOC[C@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000528724040 267143277 /nfs/dbraw/zinc/14/32/77/267143277.db2.gz LADSCLOCFGXZGA-QZTJIDSGSA-N 1 2 343.427 1.791 20 30 EDEDLO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](C)[S@@]1=O ZINC000528510245 267203534 /nfs/dbraw/zinc/20/35/34/267203534.db2.gz XSDGMZHCKGSSIA-CIXWTQSLSA-N 1 2 336.457 1.529 20 30 EDEDLO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](C)[S@@]1=O ZINC000528510245 267203535 /nfs/dbraw/zinc/20/35/35/267203535.db2.gz XSDGMZHCKGSSIA-CIXWTQSLSA-N 1 2 336.457 1.529 20 30 EDEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000492841138 267256038 /nfs/dbraw/zinc/25/60/38/267256038.db2.gz QGMXECYGGLRTGT-ZDTYVGOBSA-N 1 2 337.383 1.863 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+](CCCO)Cc2ccccn2)cc1 ZINC000287029313 268066902 /nfs/dbraw/zinc/06/69/02/268066902.db2.gz SHQDZTDOAHHSOM-UHFFFAOYSA-N 1 2 338.411 1.454 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+](CCCO)Cc2ccccn2)cc1 ZINC000287029313 268066903 /nfs/dbraw/zinc/06/69/03/268066903.db2.gz SHQDZTDOAHHSOM-UHFFFAOYSA-N 1 2 338.411 1.454 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000288363310 268079504 /nfs/dbraw/zinc/07/95/04/268079504.db2.gz NMSUVWYRSGARGX-QGZVFWFLSA-N 1 2 349.456 1.042 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC(F)(F)[C@H](CO)C3)C2=O)cc1 ZINC000291691912 268127184 /nfs/dbraw/zinc/12/71/84/268127184.db2.gz HLHFHQSAKLGVHB-ZFWWWQNUSA-N 1 2 335.354 1.613 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC(F)(F)[C@H](CO)C3)C2=O)cc1 ZINC000291691912 268127186 /nfs/dbraw/zinc/12/71/86/268127186.db2.gz HLHFHQSAKLGVHB-ZFWWWQNUSA-N 1 2 335.354 1.613 20 30 EDEDLO Cn1cc(-c2cc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)on2)cn1 ZINC000274446805 268142300 /nfs/dbraw/zinc/14/23/00/268142300.db2.gz UKCSZGFUIWCDHI-UHFFFAOYSA-N 1 2 349.398 1.664 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C2)nc1 ZINC000293022099 268184230 /nfs/dbraw/zinc/18/42/30/268184230.db2.gz UVNSIGPSZUHQPR-HNNXBMFYSA-N 1 2 340.387 1.403 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)nc1 ZINC000290410853 268188293 /nfs/dbraw/zinc/18/82/93/268188293.db2.gz UFZNBOSEUMYFBF-RDJZCZTQSA-N 1 2 349.456 1.354 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)nc1 ZINC000290410853 268188295 /nfs/dbraw/zinc/18/82/95/268188295.db2.gz UFZNBOSEUMYFBF-RDJZCZTQSA-N 1 2 349.456 1.354 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c(Cl)c1 ZINC000532020877 268239813 /nfs/dbraw/zinc/23/98/13/268239813.db2.gz HCERWEQVJGMJRS-UHFFFAOYSA-N 1 2 345.790 1.943 20 30 EDEDLO N#Cc1cccc(NCC(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000151126845 268269316 /nfs/dbraw/zinc/26/93/16/268269316.db2.gz ASXMKBUERJPDCS-UHFFFAOYSA-N 1 2 335.411 1.710 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2nc(C)nc3scc(C)c32)CC1 ZINC000274684482 275383406 /nfs/dbraw/zinc/38/34/06/275383406.db2.gz JLCPFKSGYBUELO-UHFFFAOYSA-N 1 2 343.456 1.180 20 30 EDEDLO CN1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1=O ZINC000328726469 290297649 /nfs/dbraw/zinc/29/76/49/290297649.db2.gz ZQMKAKAWZOMNDZ-ZBFHGGJFSA-N 1 2 333.457 1.964 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@H](O)C12CCCC2)[C@H](C)[NH+]1CCOCC1 ZINC000330330211 297946716 /nfs/dbraw/zinc/94/67/16/297946716.db2.gz NDYBUZCHTFEDQR-KKUMJFAQSA-N 1 2 325.453 1.389 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000497223025 298136313 /nfs/dbraw/zinc/13/63/13/298136313.db2.gz RRQQCJPWCMVCMF-KGLIPLIRSA-N 1 2 336.436 1.490 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000497223025 298136314 /nfs/dbraw/zinc/13/63/14/298136314.db2.gz RRQQCJPWCMVCMF-KGLIPLIRSA-N 1 2 336.436 1.490 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)C(=O)Nc1cc(C#N)ccc1C)C2 ZINC000377782949 447353412 /nfs/dbraw/zinc/35/34/12/447353412.db2.gz PHFRIWJBVMBYSB-UHFFFAOYSA-N 1 2 337.383 1.661 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000545947881 306088120 /nfs/dbraw/zinc/08/81/20/306088120.db2.gz NZTFHFJYNFDZQT-HNNXBMFYSA-N 1 2 327.432 1.476 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377967247 447393946 /nfs/dbraw/zinc/39/39/46/447393946.db2.gz OPRJOBFXCHXIJH-ZDUSSCGKSA-N 1 2 340.383 1.587 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377967247 447393950 /nfs/dbraw/zinc/39/39/50/447393950.db2.gz OPRJOBFXCHXIJH-ZDUSSCGKSA-N 1 2 340.383 1.587 20 30 EDEDLO COc1cc(C[NH+]2CCN(C(=O)[C@@]3(C#N)C[C@H]3C)CC2)cc(OC)c1 ZINC000450032097 447424420 /nfs/dbraw/zinc/42/44/20/447424420.db2.gz KKKXBIAZIWOOHL-AUUYWEPGSA-N 1 2 343.427 1.898 20 30 EDEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000450015528 447423644 /nfs/dbraw/zinc/42/36/44/447423644.db2.gz FXEYNMSYJYKSJK-KSSFIOAISA-N 1 2 333.432 1.556 20 30 EDEDLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@]3(C#N)C[C@H]3C)CC2)c1 ZINC000450141851 447429581 /nfs/dbraw/zinc/42/95/81/447429581.db2.gz APGQIYAWSHALQX-BEFAXECRSA-N 1 2 343.427 1.768 20 30 EDEDLO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057879898 441140078 /nfs/dbraw/zinc/14/00/78/441140078.db2.gz RUNCAMYXAYBURO-UHFFFAOYSA-N 1 2 348.834 1.972 20 30 EDEDLO C#CC[NH+]1CCN(Cn2sc3nc(C)c(C)c(C)c3c2=O)CC1 ZINC000072915349 441276092 /nfs/dbraw/zinc/27/60/92/441276092.db2.gz TWQBCAIETGLTCP-UHFFFAOYSA-N 1 2 330.457 1.592 20 30 EDEDLO N#CC1(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CCC1 ZINC000450254541 447439079 /nfs/dbraw/zinc/43/90/79/447439079.db2.gz UNCYXRJLTCZMGF-UHFFFAOYSA-N 1 2 334.445 1.150 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106869685 441383081 /nfs/dbraw/zinc/38/30/81/441383081.db2.gz JZKZUTIRIXUQJF-KBPBESRZSA-N 1 2 338.452 1.594 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106869685 441383085 /nfs/dbraw/zinc/38/30/85/441383085.db2.gz JZKZUTIRIXUQJF-KBPBESRZSA-N 1 2 338.452 1.594 20 30 EDEDLO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nncs2)C1 ZINC000051058539 441396169 /nfs/dbraw/zinc/39/61/69/441396169.db2.gz JWJFQPONPBWDRU-LLVKDONJSA-N 1 2 325.438 1.754 20 30 EDEDLO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nncs2)C1 ZINC000051058539 441396172 /nfs/dbraw/zinc/39/61/72/441396172.db2.gz JWJFQPONPBWDRU-LLVKDONJSA-N 1 2 325.438 1.754 20 30 EDEDLO CC(=O)NCC1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000052848977 441480901 /nfs/dbraw/zinc/48/09/01/441480901.db2.gz JEURDJQXTCZRFJ-UHFFFAOYSA-N 1 2 332.404 1.555 20 30 EDEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000052442367 441451477 /nfs/dbraw/zinc/45/14/77/441451477.db2.gz XNAPDANVEIHHMM-HNNXBMFYSA-N 1 2 327.432 1.476 20 30 EDEDLO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000075346627 441518994 /nfs/dbraw/zinc/51/89/94/441518994.db2.gz OVCJRVQTOKGKGE-LBPRGKRZSA-N 1 2 334.445 1.937 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000088757979 441519854 /nfs/dbraw/zinc/51/98/54/441519854.db2.gz XTHMQLDYDUHQHK-ZDUSSCGKSA-N 1 2 347.850 1.740 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109757291 441504307 /nfs/dbraw/zinc/50/43/07/441504307.db2.gz CRHBIPJIOQOIID-YPMHNXCESA-N 1 2 332.326 1.030 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000109757291 441504311 /nfs/dbraw/zinc/50/43/11/441504311.db2.gz CRHBIPJIOQOIID-YPMHNXCESA-N 1 2 332.326 1.030 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCSC3)CC2)cc1 ZINC000075802551 441556136 /nfs/dbraw/zinc/55/61/36/441556136.db2.gz NQWXNMYXGVDAMW-MRXNPFEDSA-N 1 2 330.457 1.891 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+](CC(N)=O)C1CCCC1)c1ccccc1 ZINC000054989701 441609265 /nfs/dbraw/zinc/60/92/65/441609265.db2.gz CJXYNOOXJHREIL-UHFFFAOYSA-N 1 2 328.416 1.663 20 30 EDEDLO N#CCCN(C(=O)C[N@H+](CC(N)=O)C1CCCC1)c1ccccc1 ZINC000054989701 441609268 /nfs/dbraw/zinc/60/92/68/441609268.db2.gz CJXYNOOXJHREIL-UHFFFAOYSA-N 1 2 328.416 1.663 20 30 EDEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3cc(=O)c(O)co3)CC2)cc1 ZINC000114206229 441641495 /nfs/dbraw/zinc/64/14/95/441641495.db2.gz GNYYVPHNUGNSTB-UHFFFAOYSA-N 1 2 339.395 1.925 20 30 EDEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3cc(=O)c(O)co3)CC2)cc1 ZINC000114206229 441641497 /nfs/dbraw/zinc/64/14/97/441641497.db2.gz GNYYVPHNUGNSTB-UHFFFAOYSA-N 1 2 339.395 1.925 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)CC1 ZINC000091580689 441714585 /nfs/dbraw/zinc/71/45/85/441714585.db2.gz KGHJSRJXHSHQHW-KRWDZBQOSA-N 1 2 347.507 1.941 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)CC1 ZINC000091580689 441714591 /nfs/dbraw/zinc/71/45/91/441714591.db2.gz KGHJSRJXHSHQHW-KRWDZBQOSA-N 1 2 347.507 1.941 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3C=CCCC3)CC2)cc1 ZINC000076668627 441672963 /nfs/dbraw/zinc/67/29/63/441672963.db2.gz VLRPPDKRAYLAFA-INIZCTEOSA-N 1 2 331.441 1.973 20 30 EDEDLO COc1cccc([C@H](NC(=O)CSCC#N)c2[nH+]ccn2C)c1 ZINC000041787724 441673451 /nfs/dbraw/zinc/67/34/51/441673451.db2.gz USNDAEAMYWJQDY-HNNXBMFYSA-N 1 2 330.413 1.891 20 30 EDEDLO CCN(CC#N)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000068231809 441758497 /nfs/dbraw/zinc/75/84/97/441758497.db2.gz DYZCEBNRZWJXCX-UHFFFAOYSA-N 1 2 325.372 1.898 20 30 EDEDLO N#Cc1ccnc(N2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)c1 ZINC000068259359 441764474 /nfs/dbraw/zinc/76/44/74/441764474.db2.gz XESLSJVNTPZIPW-UHFFFAOYSA-N 1 2 332.367 1.563 20 30 EDEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354551 441727319 /nfs/dbraw/zinc/72/73/19/441727319.db2.gz PCWWRCFCKWZREI-MRXNPFEDSA-N 1 2 328.460 1.933 20 30 EDEDLO CCN(CC)C(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354551 441727323 /nfs/dbraw/zinc/72/73/23/441727323.db2.gz PCWWRCFCKWZREI-MRXNPFEDSA-N 1 2 328.460 1.933 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000092617529 441813235 /nfs/dbraw/zinc/81/32/35/441813235.db2.gz AXOZLLHNHLCSBK-BZSNNMDCSA-N 1 2 348.491 1.322 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000092617529 441813243 /nfs/dbraw/zinc/81/32/43/441813243.db2.gz AXOZLLHNHLCSBK-BZSNNMDCSA-N 1 2 348.491 1.322 20 30 EDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000092618976 441815197 /nfs/dbraw/zinc/81/51/97/441815197.db2.gz HJYLUBPWTYADKE-GOSISDBHSA-N 1 2 347.507 1.941 20 30 EDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000092618976 441815204 /nfs/dbraw/zinc/81/52/04/441815204.db2.gz HJYLUBPWTYADKE-GOSISDBHSA-N 1 2 347.507 1.941 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccc(Cl)nc1 ZINC000122730985 441862046 /nfs/dbraw/zinc/86/20/46/441862046.db2.gz JHYCRNXSAPZERN-HWKANZROSA-N 1 2 348.834 1.823 20 30 EDEDLO CC(=O)N(C)C1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000068576748 441827127 /nfs/dbraw/zinc/82/71/27/441827127.db2.gz MZMHOMMEUNCQLD-UHFFFAOYSA-N 1 2 332.404 1.649 20 30 EDEDLO N#CC1(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)CCCCC1 ZINC000161193600 441969449 /nfs/dbraw/zinc/96/94/49/441969449.db2.gz PKENHMLFEZRBMI-UHFFFAOYSA-N 1 2 341.459 1.542 20 30 EDEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078615972 441953107 /nfs/dbraw/zinc/95/31/07/441953107.db2.gz JQHQDYCDQXDFEZ-ZBFHGGJFSA-N 1 2 343.431 1.103 20 30 EDEDLO C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000125752209 442045838 /nfs/dbraw/zinc/04/58/38/442045838.db2.gz WADHOZCOOCAIQC-IINYFYTJSA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000125752209 442045840 /nfs/dbraw/zinc/04/58/40/442045840.db2.gz WADHOZCOOCAIQC-IINYFYTJSA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@@H](CC#N)N(C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000161969334 442050105 /nfs/dbraw/zinc/05/01/05/442050105.db2.gz MRZPLXDBPCPKDR-INIZCTEOSA-N 1 2 344.459 1.369 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)Cc1cc(Br)cn1C ZINC000151492419 442071875 /nfs/dbraw/zinc/07/18/75/442071875.db2.gz LFBNEAUBNVGBGN-NSHDSACASA-N 1 2 341.253 1.980 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cc(Br)cn1C ZINC000151492419 442071882 /nfs/dbraw/zinc/07/18/82/442071882.db2.gz LFBNEAUBNVGBGN-NSHDSACASA-N 1 2 341.253 1.980 20 30 EDEDLO N#Cc1c(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cn2ccccc12 ZINC000120664939 442113553 /nfs/dbraw/zinc/11/35/53/442113553.db2.gz LHXUKOZJHHPCEZ-HNNXBMFYSA-N 1 2 344.440 1.467 20 30 EDEDLO N#Cc1c(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)cn2ccccc12 ZINC000120664939 442113557 /nfs/dbraw/zinc/11/35/57/442113557.db2.gz LHXUKOZJHHPCEZ-HNNXBMFYSA-N 1 2 344.440 1.467 20 30 EDEDLO NC(CCO)=[NH+]OCc1nc(-c2cccc(Br)c2)no1 ZINC000121344583 442205331 /nfs/dbraw/zinc/20/53/31/442205331.db2.gz ZKCUHTXAWAXTTO-UHFFFAOYSA-N 1 2 341.165 1.670 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000164460288 442197288 /nfs/dbraw/zinc/19/72/88/442197288.db2.gz WOUZAXKPDCSFLE-UHFFFAOYSA-N 1 2 333.457 1.480 20 30 EDEDLO COC(=O)c1cc(CN(CCC#N)CC[NH+]2CCOCC2)oc1C ZINC000096971566 442152694 /nfs/dbraw/zinc/15/26/94/442152694.db2.gz MXXOYJSTQSYYEC-UHFFFAOYSA-N 1 2 335.404 1.423 20 30 EDEDLO CN(CCC#N)S(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000096998067 442153407 /nfs/dbraw/zinc/15/34/07/442153407.db2.gz PXPYVYOATYKREI-UHFFFAOYSA-N 1 2 337.449 1.252 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000170631557 442239369 /nfs/dbraw/zinc/23/93/69/442239369.db2.gz MBQQRULBTNUVSJ-CMDGGOBGSA-N 1 2 341.411 1.669 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000170631557 442239372 /nfs/dbraw/zinc/23/93/72/442239372.db2.gz MBQQRULBTNUVSJ-CMDGGOBGSA-N 1 2 341.411 1.669 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)ccc2C)CC1 ZINC000128048771 442242400 /nfs/dbraw/zinc/24/24/00/442242400.db2.gz FBPFSPZEPHZQCC-UHFFFAOYSA-N 1 2 347.846 1.546 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2C)CC1 ZINC000128048771 442242402 /nfs/dbraw/zinc/24/24/02/442242402.db2.gz FBPFSPZEPHZQCC-UHFFFAOYSA-N 1 2 347.846 1.546 20 30 EDEDLO C=CCN(CC=C)C(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000177782894 442383807 /nfs/dbraw/zinc/38/38/07/442383807.db2.gz RYOPUUKIDXTBDR-UHFFFAOYSA-N 1 2 329.444 1.710 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000177782894 442383809 /nfs/dbraw/zinc/38/38/09/442383809.db2.gz RYOPUUKIDXTBDR-UHFFFAOYSA-N 1 2 329.444 1.710 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC(=O)N1CCCCCC1 ZINC000155521366 442405217 /nfs/dbraw/zinc/40/52/17/442405217.db2.gz AIEFLGDJFDGUQI-OAHLLOKOSA-N 1 2 342.447 1.261 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC(=O)N1CCCCCC1 ZINC000155521366 442405220 /nfs/dbraw/zinc/40/52/20/442405220.db2.gz AIEFLGDJFDGUQI-OAHLLOKOSA-N 1 2 342.447 1.261 20 30 EDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000134311419 442467530 /nfs/dbraw/zinc/46/75/30/442467530.db2.gz DNRGGPJCJVOTLL-HNNXBMFYSA-N 1 2 346.456 1.713 20 30 EDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000134311419 442467534 /nfs/dbraw/zinc/46/75/34/442467534.db2.gz DNRGGPJCJVOTLL-HNNXBMFYSA-N 1 2 346.456 1.713 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)s1 ZINC000191940952 442543928 /nfs/dbraw/zinc/54/39/28/442543928.db2.gz IAADLJGMVLUQDM-UHFFFAOYSA-N 1 2 339.486 1.315 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000178881560 442512541 /nfs/dbraw/zinc/51/25/41/442512541.db2.gz BCRBGEUZEORKDS-MRXNPFEDSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000178881560 442512548 /nfs/dbraw/zinc/51/25/48/442512548.db2.gz BCRBGEUZEORKDS-MRXNPFEDSA-N 1 2 333.476 1.487 20 30 EDEDLO CCOC1CC(CNC(=O)NCCCCC#N)([NH+]2CCOCC2)C1 ZINC000192477259 442651262 /nfs/dbraw/zinc/65/12/62/442651262.db2.gz FDLJCDAPTVIRMB-UHFFFAOYSA-N 1 2 338.452 1.249 20 30 EDEDLO N#CCC1(O)CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000186825084 442617018 /nfs/dbraw/zinc/61/70/18/442617018.db2.gz AMARNCRRJOLPIS-OAHLLOKOSA-N 1 2 331.441 1.263 20 30 EDEDLO CCOC(=O)CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000173187428 442620010 /nfs/dbraw/zinc/62/00/10/442620010.db2.gz XLKAPMFSFSTODT-UHFFFAOYSA-N 1 2 344.371 1.881 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000192542056 442660762 /nfs/dbraw/zinc/66/07/62/442660762.db2.gz JONNAJIFWYZYJQ-AWEZNQCLSA-N 1 2 333.407 1.090 20 30 EDEDLO CC1(C)C[N@H+](CCNS(=O)(=O)c2ccc(F)c(C#N)c2)CCO1 ZINC000188093006 442710349 /nfs/dbraw/zinc/71/03/49/442710349.db2.gz PURYXIPCUMOJFD-UHFFFAOYSA-N 1 2 341.408 1.086 20 30 EDEDLO CC1(C)C[N@@H+](CCNS(=O)(=O)c2ccc(F)c(C#N)c2)CCO1 ZINC000188093006 442710351 /nfs/dbraw/zinc/71/03/51/442710351.db2.gz PURYXIPCUMOJFD-UHFFFAOYSA-N 1 2 341.408 1.086 20 30 EDEDLO N#Cc1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c(F)c1 ZINC000189148751 442886618 /nfs/dbraw/zinc/88/66/18/442886618.db2.gz RAVMHMAMSXXUAP-QGZVFWFLSA-N 1 2 331.391 1.957 20 30 EDEDLO N#Cc1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c(F)c1 ZINC000189148751 442886623 /nfs/dbraw/zinc/88/66/23/442886623.db2.gz RAVMHMAMSXXUAP-QGZVFWFLSA-N 1 2 331.391 1.957 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000268188944 442890458 /nfs/dbraw/zinc/89/04/58/442890458.db2.gz MLIQYVIBGYCQRN-UHFFFAOYSA-N 1 2 340.349 1.963 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000195044074 442979103 /nfs/dbraw/zinc/97/91/03/442979103.db2.gz LZMBLYABYSCSGD-AWEZNQCLSA-N 1 2 330.413 1.834 20 30 EDEDLO Cn1cc([C@@]2(C)C[N@H+](CCOc3cccc(C#N)c3)CCO2)cn1 ZINC000268413881 442980066 /nfs/dbraw/zinc/98/00/66/442980066.db2.gz BDJCTPJYNZBHGV-GOSISDBHSA-N 1 2 326.400 1.918 20 30 EDEDLO Cn1cc([C@@]2(C)C[N@@H+](CCOc3cccc(C#N)c3)CCO2)cn1 ZINC000268413881 442980071 /nfs/dbraw/zinc/98/00/71/442980071.db2.gz BDJCTPJYNZBHGV-GOSISDBHSA-N 1 2 326.400 1.918 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000268336196 442952785 /nfs/dbraw/zinc/95/27/85/442952785.db2.gz YVMWYHVNMNZKFJ-HNNXBMFYSA-N 1 2 325.409 1.601 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000268336196 442952789 /nfs/dbraw/zinc/95/27/89/442952789.db2.gz YVMWYHVNMNZKFJ-HNNXBMFYSA-N 1 2 325.409 1.601 20 30 EDEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCOC1 ZINC000266492717 443145808 /nfs/dbraw/zinc/14/58/08/443145808.db2.gz DJSMGSIWPJXJDT-YJBOKZPZSA-N 1 2 342.443 1.810 20 30 EDEDLO C=CCCS(=O)(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000268829383 443121058 /nfs/dbraw/zinc/12/10/58/443121058.db2.gz DWNCCWATDDWYFU-HNNXBMFYSA-N 1 2 338.477 1.088 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191088952 443239777 /nfs/dbraw/zinc/23/97/77/443239777.db2.gz CNXONTBITRFEQS-SWKXRBFHSA-N 1 2 334.464 1.470 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191088952 443239781 /nfs/dbraw/zinc/23/97/81/443239781.db2.gz CNXONTBITRFEQS-SWKXRBFHSA-N 1 2 334.464 1.470 20 30 EDEDLO Cc1nc(F)ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000278423036 443326461 /nfs/dbraw/zinc/32/64/61/443326461.db2.gz IVJBVOYCPQYVNU-GFCCVEGCSA-N 1 2 326.379 1.902 20 30 EDEDLO Cc1nc(F)ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000278423036 443326464 /nfs/dbraw/zinc/32/64/64/443326464.db2.gz IVJBVOYCPQYVNU-GFCCVEGCSA-N 1 2 326.379 1.902 20 30 EDEDLO C#CCOc1cccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000264563525 443328198 /nfs/dbraw/zinc/32/81/98/443328198.db2.gz SJBPYOOMTVKZSI-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO C#CCOc1cccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000264563525 443328203 /nfs/dbraw/zinc/32/82/03/443328203.db2.gz SJBPYOOMTVKZSI-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO COc1cc(C(N)=[NH+]OCc2ncnn2C)cc(Cl)c1OC ZINC000267077274 443334151 /nfs/dbraw/zinc/33/41/51/443334151.db2.gz JOIZQRUGKLRSDY-UHFFFAOYSA-N 1 2 325.756 1.323 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCC2CCC(C#N)CC2)CCN1C ZINC000282561103 443375179 /nfs/dbraw/zinc/37/51/79/443375179.db2.gz CCSLOWTUNRMHTB-UYSNPLJNSA-N 1 2 344.463 1.748 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000278652210 443391325 /nfs/dbraw/zinc/39/13/25/443391325.db2.gz OUOCFYLWIHZHAM-GOSISDBHSA-N 1 2 332.448 1.884 20 30 EDEDLO COCCNC(=O)C[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000264667938 443367885 /nfs/dbraw/zinc/36/78/85/443367885.db2.gz SUKGVTGLNIXQLP-UHFFFAOYSA-N 1 2 336.823 1.096 20 30 EDEDLO C#CCn1ccc(CN(CC)c2nc(C(C)C)[nH+]c(N(C)C)n2)n1 ZINC000278581440 443368618 /nfs/dbraw/zinc/36/86/18/443368618.db2.gz CTLSACBRNKKLPB-UHFFFAOYSA-N 1 2 327.436 1.917 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)[nH]1 ZINC000272740636 443428303 /nfs/dbraw/zinc/42/83/03/443428303.db2.gz KXQDXVWKNJBHCW-UHFFFAOYSA-N 1 2 325.372 1.390 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000269711260 443405921 /nfs/dbraw/zinc/40/59/21/443405921.db2.gz RFFUVZRUWQUZLD-INIZCTEOSA-N 1 2 327.432 1.092 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000269711260 443405926 /nfs/dbraw/zinc/40/59/26/443405926.db2.gz RFFUVZRUWQUZLD-INIZCTEOSA-N 1 2 327.432 1.092 20 30 EDEDLO C#CCSCCNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000269978769 443457193 /nfs/dbraw/zinc/45/71/93/443457193.db2.gz HNMNFVIFZWPKMC-UHFFFAOYSA-N 1 2 340.518 1.561 20 30 EDEDLO N#Cc1cccc(-c2cc(C(=O)NCC[NH+]3CCSCC3)on2)c1 ZINC000279043012 443499635 /nfs/dbraw/zinc/49/96/35/443499635.db2.gz NUKWJZYPGRSCDG-UHFFFAOYSA-N 1 2 342.424 1.992 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(c2ccc(Cl)c(C#N)n2)C1 ZINC000275723292 443639706 /nfs/dbraw/zinc/63/97/06/443639706.db2.gz OMPQMKKIMZOOOC-LLVKDONJSA-N 1 2 343.822 1.690 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(c2ccc(Cl)c(C#N)n2)C1 ZINC000275723292 443639707 /nfs/dbraw/zinc/63/97/07/443639707.db2.gz OMPQMKKIMZOOOC-LLVKDONJSA-N 1 2 343.822 1.690 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000275722605 443639748 /nfs/dbraw/zinc/63/97/48/443639748.db2.gz TZBLJGZXMLHRRR-CYBMUJFWSA-N 1 2 325.372 1.641 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000279544280 443604175 /nfs/dbraw/zinc/60/41/75/443604175.db2.gz XCHVHBJTJVNHKO-HKUYNNGSSA-N 1 2 332.444 1.373 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000279639757 443613524 /nfs/dbraw/zinc/61/35/24/443613524.db2.gz ASTDGCLHZCPZRK-OAHLLOKOSA-N 1 2 343.427 1.444 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000279639757 443613529 /nfs/dbraw/zinc/61/35/29/443613529.db2.gz ASTDGCLHZCPZRK-OAHLLOKOSA-N 1 2 343.427 1.444 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)COc2ccc(C#N)cc2)CCO1 ZINC000276359514 443690585 /nfs/dbraw/zinc/69/05/85/443690585.db2.gz RSBARZFHRZKSQL-WMLDXEAASA-N 1 2 340.383 1.707 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2CC)CC1 ZINC000283749899 443705687 /nfs/dbraw/zinc/70/56/87/443705687.db2.gz KLQRAMCUXPYZJI-UHFFFAOYSA-N 1 2 339.443 1.941 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCCC#N ZINC000286769393 443724827 /nfs/dbraw/zinc/72/48/27/443724827.db2.gz QPTAEODEVKYLOS-INIZCTEOSA-N 1 2 342.443 1.529 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCCC#N ZINC000286769393 443724829 /nfs/dbraw/zinc/72/48/29/443724829.db2.gz QPTAEODEVKYLOS-INIZCTEOSA-N 1 2 342.443 1.529 20 30 EDEDLO CCCOc1ccc(/C=[NH+]/CCn2cc(C(=O)OC)nn2)c(O)c1 ZINC000283805944 443726615 /nfs/dbraw/zinc/72/66/15/443726615.db2.gz CGLYSVPMTYEKRV-LICLKQGHSA-N 1 2 332.360 1.678 20 30 EDEDLO C[C@@H](NC(=O)C(=O)NCCCCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000286845065 443727265 /nfs/dbraw/zinc/72/72/65/443727265.db2.gz ZVQDADJBNZLYJB-CQSZACIVSA-N 1 2 339.399 1.860 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000280652007 443739370 /nfs/dbraw/zinc/73/93/70/443739370.db2.gz ZHCJHOFLMUWTAH-APWZRJJASA-N 1 2 343.427 1.813 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000280652007 443739372 /nfs/dbraw/zinc/73/93/72/443739372.db2.gz ZHCJHOFLMUWTAH-APWZRJJASA-N 1 2 343.427 1.813 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000287367110 443742232 /nfs/dbraw/zinc/74/22/32/443742232.db2.gz GZMZDCPTSUAHNF-UHFFFAOYSA-N 1 2 338.415 1.262 20 30 EDEDLO C#CCN(Cc1ccccc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000287409648 443743182 /nfs/dbraw/zinc/74/31/82/443743182.db2.gz NFDKBMNERZRGPL-UHFFFAOYSA-N 1 2 329.444 1.942 20 30 EDEDLO C#CCN(Cc1ccccc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000287409648 443743186 /nfs/dbraw/zinc/74/31/86/443743186.db2.gz NFDKBMNERZRGPL-UHFFFAOYSA-N 1 2 329.444 1.942 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292212331 443783920 /nfs/dbraw/zinc/78/39/20/443783920.db2.gz OKTHQGPJCYSJEW-UHFFFAOYSA-N 1 2 346.406 1.651 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292212331 443783923 /nfs/dbraw/zinc/78/39/23/443783923.db2.gz OKTHQGPJCYSJEW-UHFFFAOYSA-N 1 2 346.406 1.651 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1 ZINC000292431292 443795329 /nfs/dbraw/zinc/79/53/29/443795329.db2.gz XHTQNUSROYOAKL-IKGGRYGDSA-N 1 2 328.416 1.266 20 30 EDEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1 ZINC000292431292 443795334 /nfs/dbraw/zinc/79/53/34/443795334.db2.gz XHTQNUSROYOAKL-IKGGRYGDSA-N 1 2 328.416 1.266 20 30 EDEDLO Cc1c(NC(=O)[C@H](C)O[NH+]=C(N)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284083360 443763738 /nfs/dbraw/zinc/76/37/38/443763738.db2.gz KNPRNSSQCZGHBU-GXFFZTMASA-N 1 2 336.348 1.698 20 30 EDEDLO C[N@@H+]1CCc2ncnc(N3CC[C@H](Oc4ccc(C#N)cn4)C3)c2C1 ZINC000291805037 443768069 /nfs/dbraw/zinc/76/80/69/443768069.db2.gz JTCNPCPKHBTJDI-AWEZNQCLSA-N 1 2 336.399 1.389 20 30 EDEDLO C[N@H+]1CCc2ncnc(N3CC[C@H](Oc4ccc(C#N)cn4)C3)c2C1 ZINC000291805037 443768072 /nfs/dbraw/zinc/76/80/72/443768072.db2.gz JTCNPCPKHBTJDI-AWEZNQCLSA-N 1 2 336.399 1.389 20 30 EDEDLO CN1CCO[C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000284335308 443772532 /nfs/dbraw/zinc/77/25/32/443772532.db2.gz BURVTMQBUGYKIK-QZTJIDSGSA-N 1 2 342.443 1.338 20 30 EDEDLO CN1CCO[C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000284335308 443772535 /nfs/dbraw/zinc/77/25/35/443772535.db2.gz BURVTMQBUGYKIK-QZTJIDSGSA-N 1 2 342.443 1.338 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000284335308 443772536 /nfs/dbraw/zinc/77/25/36/443772536.db2.gz BURVTMQBUGYKIK-QZTJIDSGSA-N 1 2 342.443 1.338 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(CC(=O)N(CCC#N)c3ccccc3)C[C@H]21 ZINC000284335308 443772539 /nfs/dbraw/zinc/77/25/39/443772539.db2.gz BURVTMQBUGYKIK-QZTJIDSGSA-N 1 2 342.443 1.338 20 30 EDEDLO CN1CCO[C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000284335315 443772558 /nfs/dbraw/zinc/77/25/58/443772558.db2.gz BURVTMQBUGYKIK-ZWKOTPCHSA-N 1 2 342.443 1.338 20 30 EDEDLO CN1CCO[C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000284335315 443772559 /nfs/dbraw/zinc/77/25/59/443772559.db2.gz BURVTMQBUGYKIK-ZWKOTPCHSA-N 1 2 342.443 1.338 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(CC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000284335315 443772560 /nfs/dbraw/zinc/77/25/60/443772560.db2.gz BURVTMQBUGYKIK-ZWKOTPCHSA-N 1 2 342.443 1.338 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(CC(=O)N(CCC#N)c3ccccc3)C[C@@H]21 ZINC000284335315 443772561 /nfs/dbraw/zinc/77/25/61/443772561.db2.gz BURVTMQBUGYKIK-ZWKOTPCHSA-N 1 2 342.443 1.338 20 30 EDEDLO C=CCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000284343185 443773294 /nfs/dbraw/zinc/77/32/94/443773294.db2.gz NLVAETWPCMRXTF-OAHLLOKOSA-N 1 2 344.390 1.847 20 30 EDEDLO C#CCOc1cccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000284476106 443776967 /nfs/dbraw/zinc/77/69/67/443776967.db2.gz ANMQCZSCRCQYTC-DLBZAZTESA-N 1 2 329.400 1.635 20 30 EDEDLO C#CCOc1cccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000284476106 443776970 /nfs/dbraw/zinc/77/69/70/443776970.db2.gz ANMQCZSCRCQYTC-DLBZAZTESA-N 1 2 329.400 1.635 20 30 EDEDLO C#CCOc1cccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284476108 443777302 /nfs/dbraw/zinc/77/73/02/443777302.db2.gz ANMQCZSCRCQYTC-IAGOWNOFSA-N 1 2 329.400 1.635 20 30 EDEDLO C#CCOc1cccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284476108 443777305 /nfs/dbraw/zinc/77/73/05/443777305.db2.gz ANMQCZSCRCQYTC-IAGOWNOFSA-N 1 2 329.400 1.635 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292124415 443778439 /nfs/dbraw/zinc/77/84/39/443778439.db2.gz XCQQBSHFJCHEDV-CQSZACIVSA-N 1 2 326.360 1.050 20 30 EDEDLO C=CCCCNC(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000284591256 443781099 /nfs/dbraw/zinc/78/10/99/443781099.db2.gz WCMZEHMHLPCTRM-AWEZNQCLSA-N 1 2 346.431 1.005 20 30 EDEDLO COC[C@@H]1C[C@H](OC)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000284669072 443782509 /nfs/dbraw/zinc/78/25/09/443782509.db2.gz OKFJDAVXKPEPJT-GJZGRUSLSA-N 1 2 338.429 1.068 20 30 EDEDLO COC[C@@H]1C[C@H](OC)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000284669072 443782512 /nfs/dbraw/zinc/78/25/12/443782512.db2.gz OKFJDAVXKPEPJT-GJZGRUSLSA-N 1 2 338.429 1.068 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(OCC#N)c3)C[C@H]21 ZINC000285068453 443843798 /nfs/dbraw/zinc/84/37/98/443843798.db2.gz XLBGDBACDZVZSM-CVEARBPZSA-N 1 2 330.388 1.526 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cccc(OCC#N)c3)C[C@H]21 ZINC000285068453 443843800 /nfs/dbraw/zinc/84/38/00/443843800.db2.gz XLBGDBACDZVZSM-CVEARBPZSA-N 1 2 330.388 1.526 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccnc2C#N)[C@@H](c2ccccc2)C1 ZINC000277002769 443887569 /nfs/dbraw/zinc/88/75/69/443887569.db2.gz KFPAXIOPMJKSPF-MRXNPFEDSA-N 1 2 342.424 1.631 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2cccnc2C#N)[C@@H](c2ccccc2)C1 ZINC000277002769 443887574 /nfs/dbraw/zinc/88/75/74/443887574.db2.gz KFPAXIOPMJKSPF-MRXNPFEDSA-N 1 2 342.424 1.631 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N(C)C[C@H](C)C#N)c1C ZINC000298888716 443894126 /nfs/dbraw/zinc/89/41/26/443894126.db2.gz ZWZCBWIFBGBMBM-LLVKDONJSA-N 1 2 332.404 1.284 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCc2cccc(OCC)c2)C1=O ZINC000281379567 443894337 /nfs/dbraw/zinc/89/43/37/443894337.db2.gz OYZZBMDGJQUVGF-KRWDZBQOSA-N 1 2 345.443 1.420 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCc2cccc(OCC)c2)C1=O ZINC000281379567 443894339 /nfs/dbraw/zinc/89/43/39/443894339.db2.gz OYZZBMDGJQUVGF-KRWDZBQOSA-N 1 2 345.443 1.420 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C(=O)NC2CC2)c2ccccc2)C1=O ZINC000281282840 443868146 /nfs/dbraw/zinc/86/81/46/443868146.db2.gz IVOJPKHJTWCTCN-DLBZAZTESA-N 1 2 327.428 1.725 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C(=O)NC2CC2)c2ccccc2)C1=O ZINC000281282840 443868150 /nfs/dbraw/zinc/86/81/50/443868150.db2.gz IVOJPKHJTWCTCN-DLBZAZTESA-N 1 2 327.428 1.725 20 30 EDEDLO CC#CC[N@@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC ZINC000293269612 443968495 /nfs/dbraw/zinc/96/84/95/443968495.db2.gz UVVFHOZXTMRHRO-KRWDZBQOSA-N 1 2 341.411 1.323 20 30 EDEDLO CC#CC[N@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC ZINC000293269612 443968499 /nfs/dbraw/zinc/96/84/99/443968499.db2.gz UVVFHOZXTMRHRO-KRWDZBQOSA-N 1 2 341.411 1.323 20 30 EDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000299201060 443980800 /nfs/dbraw/zinc/98/08/00/443980800.db2.gz GCYQRUZNKKRELR-ZDUSSCGKSA-N 1 2 341.367 1.063 20 30 EDEDLO CCS(=O)(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285541009 444022207 /nfs/dbraw/zinc/02/22/07/444022207.db2.gz QOSIBLHAZPTZEO-UHFFFAOYSA-N 1 2 340.420 1.975 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000281876726 444029332 /nfs/dbraw/zinc/02/93/32/444029332.db2.gz VDMLNFNPHUVJRB-ZWKOTPCHSA-N 1 2 344.459 1.890 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000278089009 444092223 /nfs/dbraw/zinc/09/22/23/444092223.db2.gz PPTAMWAVEQGGLA-UHFFFAOYSA-N 1 2 347.390 1.824 20 30 EDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)Cc1cnc2c(C#N)cnn2c1 ZINC000564988768 321163233 /nfs/dbraw/zinc/16/32/33/321163233.db2.gz IOEBWFHRANRQCH-UHFFFAOYSA-N 1 2 349.320 1.992 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)s1 ZINC000568547314 321296236 /nfs/dbraw/zinc/29/62/36/321296236.db2.gz WNOVVBFQLBKLER-ZDUSSCGKSA-N 1 2 335.429 1.183 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000570570555 321348578 /nfs/dbraw/zinc/34/85/78/321348578.db2.gz VLBZEWZMYLCDKP-CFVMTHIKSA-N 1 2 325.372 1.374 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000570570555 321348579 /nfs/dbraw/zinc/34/85/79/321348579.db2.gz VLBZEWZMYLCDKP-CFVMTHIKSA-N 1 2 325.372 1.374 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000294859598 444151070 /nfs/dbraw/zinc/15/10/70/444151070.db2.gz GETKSTMTJFIJAO-ZNMIVQPWSA-N 1 2 336.457 1.664 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000294859598 444151074 /nfs/dbraw/zinc/15/10/74/444151074.db2.gz GETKSTMTJFIJAO-ZNMIVQPWSA-N 1 2 336.457 1.664 20 30 EDEDLO CO[C@H](Cc1ccccc1)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000295143266 444166756 /nfs/dbraw/zinc/16/67/56/444166756.db2.gz ZWQCFQHQBSXQPP-LJQANCHMSA-N 1 2 331.460 1.792 20 30 EDEDLO CO[C@H](Cc1ccccc1)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000295143266 444166759 /nfs/dbraw/zinc/16/67/59/444166759.db2.gz ZWQCFQHQBSXQPP-LJQANCHMSA-N 1 2 331.460 1.792 20 30 EDEDLO CO[C@H](Cc1ccccc1)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000295143266 444166761 /nfs/dbraw/zinc/16/67/61/444166761.db2.gz ZWQCFQHQBSXQPP-LJQANCHMSA-N 1 2 331.460 1.792 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H]([NH3+])CC)cc2[nH]c1=S ZINC000295160266 444167184 /nfs/dbraw/zinc/16/71/84/444167184.db2.gz DSJQNANECLJBBG-LLVKDONJSA-N 1 2 332.429 1.338 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CCC[NH3+])cc2[nH]c1=S ZINC000295190885 444169688 /nfs/dbraw/zinc/16/96/88/444169688.db2.gz IWLSFLGNKUEIMN-LLVKDONJSA-N 1 2 346.456 1.728 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000289388077 444127460 /nfs/dbraw/zinc/12/74/60/444127460.db2.gz LHGVVCCAWJGSHI-GJZGRUSLSA-N 1 2 334.420 1.002 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)CCN1C ZINC000296120795 444206350 /nfs/dbraw/zinc/20/63/50/444206350.db2.gz VZORILLSKGWBAM-KDOFPFPSSA-N 1 2 327.432 1.709 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C(=O)Nc2sccc2C#N)CC1(C)C ZINC000296234319 444214422 /nfs/dbraw/zinc/21/44/22/444214422.db2.gz SEPRYISMOSXVID-NSHDSACASA-N 1 2 343.412 1.901 20 30 EDEDLO C#Cc1ccc(CNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000296921696 444263114 /nfs/dbraw/zinc/26/31/14/444263114.db2.gz PPAZGJCCHPQJAZ-KRWDZBQOSA-N 1 2 337.427 1.600 20 30 EDEDLO C#Cc1ccc(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000289993071 444228026 /nfs/dbraw/zinc/22/80/26/444228026.db2.gz KPBSHQGZWAGTHL-KRWDZBQOSA-N 1 2 325.456 1.796 20 30 EDEDLO C=C[C@@H](CO)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000290390610 444275040 /nfs/dbraw/zinc/27/50/40/444275040.db2.gz LLBONJYFBGHIFW-LZWOXQAQSA-N 1 2 333.432 1.964 20 30 EDEDLO C=C[C@@H](CO)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000290390610 444275041 /nfs/dbraw/zinc/27/50/41/444275041.db2.gz LLBONJYFBGHIFW-LZWOXQAQSA-N 1 2 333.432 1.964 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000310047201 444290834 /nfs/dbraw/zinc/29/08/34/444290834.db2.gz PQKXAQBZOWZETH-UHFFFAOYSA-N 1 2 342.424 1.460 20 30 EDEDLO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCc2[nH]nnc2C1 ZINC000328798644 444356944 /nfs/dbraw/zinc/35/69/44/444356944.db2.gz WWAGEOAAMGWIMA-ZDUSSCGKSA-N 1 2 340.431 1.926 20 30 EDEDLO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCc2nn[nH]c2C1 ZINC000328798644 444356947 /nfs/dbraw/zinc/35/69/47/444356947.db2.gz WWAGEOAAMGWIMA-ZDUSSCGKSA-N 1 2 340.431 1.926 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@@H]1CCNC1=O ZINC000340222046 444372439 /nfs/dbraw/zinc/37/24/39/444372439.db2.gz UAWCDXIVBDJFCZ-SWLSCSKDSA-N 1 2 332.379 1.281 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340222046 444372441 /nfs/dbraw/zinc/37/24/41/444372441.db2.gz UAWCDXIVBDJFCZ-SWLSCSKDSA-N 1 2 332.379 1.281 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C2CC2)CC3)CC1 ZINC000328848254 444373585 /nfs/dbraw/zinc/37/35/85/444373585.db2.gz RADYGZLBAFDRHI-CYBMUJFWSA-N 1 2 345.447 1.200 20 30 EDEDLO CC(=O)N1CCCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000328656362 444417236 /nfs/dbraw/zinc/41/72/36/444417236.db2.gz NTVIGWVSUDGQTJ-HNNXBMFYSA-N 1 2 333.436 1.537 20 30 EDEDLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000328951699 444419943 /nfs/dbraw/zinc/41/99/43/444419943.db2.gz CQPOCDBOMOHBMX-KFWWJZLASA-N 1 2 338.452 1.452 20 30 EDEDLO C[C@@H]1CC(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C[C@@H](C)O1 ZINC000328859182 444377668 /nfs/dbraw/zinc/37/76/68/444377668.db2.gz DTEUDEVVSSPECI-XOUADPBQSA-N 1 2 325.453 1.509 20 30 EDEDLO C[C@@H]1CC(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C[C@@H](C)O1 ZINC000328859182 444377670 /nfs/dbraw/zinc/37/76/70/444377670.db2.gz DTEUDEVVSSPECI-XOUADPBQSA-N 1 2 325.453 1.509 20 30 EDEDLO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000331064020 444380141 /nfs/dbraw/zinc/38/01/41/444380141.db2.gz PMJYKNZXXSZLMW-KRWDZBQOSA-N 1 2 341.452 1.165 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328877089 444385470 /nfs/dbraw/zinc/38/54/70/444385470.db2.gz KKPZQBWKDVEZNB-QZWWFDLISA-N 1 2 339.480 1.901 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328877089 444385475 /nfs/dbraw/zinc/38/54/75/444385475.db2.gz KKPZQBWKDVEZNB-QZWWFDLISA-N 1 2 339.480 1.901 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cc4c(cc3Cl)OCO4)C[C@H]21 ZINC000328884774 444387975 /nfs/dbraw/zinc/38/79/75/444387975.db2.gz NAAQUBRQCDEBEH-RISCZKNCSA-N 1 2 339.779 1.629 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cc4c(cc3Cl)OCO4)C[C@H]21 ZINC000328884774 444387977 /nfs/dbraw/zinc/38/79/77/444387977.db2.gz NAAQUBRQCDEBEH-RISCZKNCSA-N 1 2 339.779 1.629 20 30 EDEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328892070 444390195 /nfs/dbraw/zinc/39/01/95/444390195.db2.gz SWURPOXOFWQDBL-UGUYLWEFSA-N 1 2 325.453 1.366 20 30 EDEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328892070 444390198 /nfs/dbraw/zinc/39/01/98/444390198.db2.gz SWURPOXOFWQDBL-UGUYLWEFSA-N 1 2 325.453 1.366 20 30 EDEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328892071 444390209 /nfs/dbraw/zinc/39/02/09/444390209.db2.gz SWURPOXOFWQDBL-WCVJEAGWSA-N 1 2 325.453 1.366 20 30 EDEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328892071 444390212 /nfs/dbraw/zinc/39/02/12/444390212.db2.gz SWURPOXOFWQDBL-WCVJEAGWSA-N 1 2 325.453 1.366 20 30 EDEDLO C[C@@H]1C[C@@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC1=O ZINC000328893777 444390890 /nfs/dbraw/zinc/39/08/90/444390890.db2.gz AKJZLMFWBPWCMV-KGLIPLIRSA-N 1 2 334.420 1.809 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCc2ccco2)cn1 ZINC000328622293 444397644 /nfs/dbraw/zinc/39/76/44/444397644.db2.gz BBGAZRLSLFQOAA-KBPBESRZSA-N 1 2 335.383 1.629 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCc2ccco2)cn1 ZINC000328622293 444397648 /nfs/dbraw/zinc/39/76/48/444397648.db2.gz BBGAZRLSLFQOAA-KBPBESRZSA-N 1 2 335.383 1.629 20 30 EDEDLO Cc1cc(=O)[nH]cc1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000328912734 444399931 /nfs/dbraw/zinc/39/99/31/444399931.db2.gz HLQBBHJSJXTAOH-UHFFFAOYSA-N 1 2 346.431 1.345 20 30 EDEDLO CC(=O)Nc1ccc(CC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000328914910 444400636 /nfs/dbraw/zinc/40/06/36/444400636.db2.gz QNWMOPLYBLCSPC-SJORKVTESA-N 1 2 331.416 1.769 20 30 EDEDLO CC(=O)Nc1ccc(CC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000328914910 444400641 /nfs/dbraw/zinc/40/06/41/444400641.db2.gz QNWMOPLYBLCSPC-SJORKVTESA-N 1 2 331.416 1.769 20 30 EDEDLO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCc2[nH]nnc2C1 ZINC000328750417 444448494 /nfs/dbraw/zinc/44/84/94/444448494.db2.gz BYZROURTYSAFFZ-AWEZNQCLSA-N 1 2 340.431 1.926 20 30 EDEDLO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCc2nn[nH]c2C1 ZINC000328750417 444448496 /nfs/dbraw/zinc/44/84/96/444448496.db2.gz BYZROURTYSAFFZ-AWEZNQCLSA-N 1 2 340.431 1.926 20 30 EDEDLO C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000331226849 444450471 /nfs/dbraw/zinc/45/04/71/444450471.db2.gz FQBWBVQEQBHWLY-XYPHTWIQSA-N 1 2 328.416 1.787 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC[C@@H]21 ZINC000329045405 444456402 /nfs/dbraw/zinc/45/64/02/444456402.db2.gz USIINCJWOGJKNQ-KEYYUXOJSA-N 1 2 333.436 1.716 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC[C@@H]21 ZINC000329045405 444456405 /nfs/dbraw/zinc/45/64/05/444456405.db2.gz USIINCJWOGJKNQ-KEYYUXOJSA-N 1 2 333.436 1.716 20 30 EDEDLO Cc1cc(N2CCC[C@H](N3CC[NH+](CCCC#N)CC3)C2=O)n(C)n1 ZINC000331396595 444470029 /nfs/dbraw/zinc/47/00/29/444470029.db2.gz CFHWSNHPGFHKSS-INIZCTEOSA-N 1 2 344.463 1.145 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331479425 444473908 /nfs/dbraw/zinc/47/39/08/444473908.db2.gz NUPYJROBRQMWAK-XHSDSOJGSA-N 1 2 347.463 1.779 20 30 EDEDLO CC(C)c1nnc2ccc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cn21 ZINC000328732302 444443577 /nfs/dbraw/zinc/44/35/77/444443577.db2.gz HCJOHNOVYMKDPJ-UONOGXRCSA-N 1 2 344.419 1.413 20 30 EDEDLO CC(C)c1nnc2ccc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)cn21 ZINC000328732302 444443580 /nfs/dbraw/zinc/44/35/80/444443580.db2.gz HCJOHNOVYMKDPJ-UONOGXRCSA-N 1 2 344.419 1.413 20 30 EDEDLO Cc1noc([C@@H]2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)C2)n1 ZINC000329136576 444481368 /nfs/dbraw/zinc/48/13/68/444481368.db2.gz RCDXUESWFNEBKK-CYBMUJFWSA-N 1 2 337.424 1.192 20 30 EDEDLO Cc1noc([C@@H]2CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)C2)n1 ZINC000329136576 444481371 /nfs/dbraw/zinc/48/13/71/444481371.db2.gz RCDXUESWFNEBKK-CYBMUJFWSA-N 1 2 337.424 1.192 20 30 EDEDLO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329169134 444490381 /nfs/dbraw/zinc/49/03/81/444490381.db2.gz JJUQFOGTRKOTLT-MBNYWOFBSA-N 1 2 342.486 1.755 20 30 EDEDLO C[C@H](C(=O)NCCc1cccs1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329169134 444490382 /nfs/dbraw/zinc/49/03/82/444490382.db2.gz JJUQFOGTRKOTLT-MBNYWOFBSA-N 1 2 342.486 1.755 20 30 EDEDLO C[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000332123619 444501880 /nfs/dbraw/zinc/50/18/80/444501880.db2.gz IYMRNFVWTJRBFX-ZBFHGGJFSA-N 1 2 347.440 1.030 20 30 EDEDLO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000332123619 444501882 /nfs/dbraw/zinc/50/18/82/444501882.db2.gz IYMRNFVWTJRBFX-ZBFHGGJFSA-N 1 2 347.440 1.030 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCN4CCOC[C@@H]4C3)C2=O)cc1 ZINC000329420738 444572589 /nfs/dbraw/zinc/57/25/89/444572589.db2.gz HJTMIQIGZUUXIZ-ZWKOTPCHSA-N 1 2 340.427 1.070 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCN4CCOC[C@@H]4C3)C2=O)cc1 ZINC000329420738 444572595 /nfs/dbraw/zinc/57/25/95/444572595.db2.gz HJTMIQIGZUUXIZ-ZWKOTPCHSA-N 1 2 340.427 1.070 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C(=O)OC)c2ccccc2C)CC1 ZINC000342242959 444584243 /nfs/dbraw/zinc/58/42/43/444584243.db2.gz WVECQOIUSNKDEV-SFHVURJKSA-N 1 2 345.443 1.129 20 30 EDEDLO [O-]C(NC1CCN(c2nccs2)CC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329430772 444576975 /nfs/dbraw/zinc/57/69/75/444576975.db2.gz KILHDTPDIPCPFE-ZDUSSCGKSA-N 1 2 346.460 1.827 20 30 EDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C1CCN(c2nccs2)CC1 ZINC000329430772 444576982 /nfs/dbraw/zinc/57/69/82/444576982.db2.gz KILHDTPDIPCPFE-ZDUSSCGKSA-N 1 2 346.460 1.827 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000332777828 444548946 /nfs/dbraw/zinc/54/89/46/444548946.db2.gz KHHFXGDLOBVCSY-MAUKXSAKSA-N 1 2 335.448 1.599 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000332777828 444548950 /nfs/dbraw/zinc/54/89/50/444548950.db2.gz KHHFXGDLOBVCSY-MAUKXSAKSA-N 1 2 335.448 1.599 20 30 EDEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329466268 444590992 /nfs/dbraw/zinc/59/09/92/444590992.db2.gz VNHQBTGBJIGZJA-LSDHHAIUSA-N 1 2 333.432 1.997 20 30 EDEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329466268 444590993 /nfs/dbraw/zinc/59/09/93/444590993.db2.gz VNHQBTGBJIGZJA-LSDHHAIUSA-N 1 2 333.432 1.997 20 30 EDEDLO CC[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CCO1 ZINC000329473012 444594812 /nfs/dbraw/zinc/59/48/12/444594812.db2.gz NHKADFCRPVJEPQ-CABCVRRESA-N 1 2 336.436 1.913 20 30 EDEDLO C[N@H+](CC(=O)Nc1nc2c(s1)CCCC2)[C@@]1(CO)CCOC1 ZINC000329658706 444668426 /nfs/dbraw/zinc/66/84/26/444668426.db2.gz NLNPTVHCHFGNBG-OAHLLOKOSA-N 1 2 325.434 1.693 20 30 EDEDLO C[N@@H+](CC(=O)Nc1nc2c(s1)CCCC2)[C@@]1(CO)CCOC1 ZINC000329658706 444668431 /nfs/dbraw/zinc/66/84/31/444668431.db2.gz NLNPTVHCHFGNBG-OAHLLOKOSA-N 1 2 325.434 1.693 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329579230 444635954 /nfs/dbraw/zinc/63/59/54/444635954.db2.gz UEPUBDKDWQBMCE-LZWOXQAQSA-N 1 2 346.431 1.475 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329747195 444699925 /nfs/dbraw/zinc/69/99/25/444699925.db2.gz ZHNNBDSOOLVYLC-KFWWJZLASA-N 1 2 325.453 1.511 20 30 EDEDLO CCN(CC)C(=O)N1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329750328 444700908 /nfs/dbraw/zinc/70/09/08/444700908.db2.gz UZJXPOXBULBGPZ-ZDUSSCGKSA-N 1 2 348.451 1.260 20 30 EDEDLO CCN(CC)C(=O)N1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329750328 444700910 /nfs/dbraw/zinc/70/09/10/444700910.db2.gz UZJXPOXBULBGPZ-ZDUSSCGKSA-N 1 2 348.451 1.260 20 30 EDEDLO CO[C@H]1C[C@@H](c2nnc(C)[nH]2)N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000344021965 444733130 /nfs/dbraw/zinc/73/31/30/444733130.db2.gz YFPKJFVCTZXZFN-GJZGRUSLSA-N 1 2 337.387 1.595 20 30 EDEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329849579 444739436 /nfs/dbraw/zinc/73/94/36/444739436.db2.gz PYTZFMJIJVMNMW-RYUDHWBXSA-N 1 2 326.422 1.080 20 30 EDEDLO C[C@@H]1Oc2ccc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)cc2NC1=O ZINC000329929544 444773678 /nfs/dbraw/zinc/77/36/78/444773678.db2.gz NOPGTXXNNJXNML-ZBINZKHDSA-N 1 2 346.387 1.616 20 30 EDEDLO C[C@@H]1Oc2ccc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)cc2NC1=O ZINC000329929544 444773680 /nfs/dbraw/zinc/77/36/80/444773680.db2.gz NOPGTXXNNJXNML-ZBINZKHDSA-N 1 2 346.387 1.616 20 30 EDEDLO COC1CCN(C(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000329929870 444773699 /nfs/dbraw/zinc/77/36/99/444773699.db2.gz ZDTQCPUCPIYGQA-CYBMUJFWSA-N 1 2 338.452 1.342 20 30 EDEDLO COc1c(Cl)cccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329933151 444776423 /nfs/dbraw/zinc/77/64/23/444776423.db2.gz PXVGGFYUNQQPKT-OLZOCXBDSA-N 1 2 325.796 1.909 20 30 EDEDLO COc1c(Cl)cccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329933151 444776428 /nfs/dbraw/zinc/77/64/28/444776428.db2.gz PXVGGFYUNQQPKT-OLZOCXBDSA-N 1 2 325.796 1.909 20 30 EDEDLO C[C@H](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)NC(=O)C1CCCCC1 ZINC000329980333 444797016 /nfs/dbraw/zinc/79/70/16/444797016.db2.gz LDKNYNJBMFHFIN-BMFZPTHFSA-N 1 2 337.464 1.843 20 30 EDEDLO C[C@H](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)NC(=O)C1CCCCC1 ZINC000329980333 444797020 /nfs/dbraw/zinc/79/70/20/444797020.db2.gz LDKNYNJBMFHFIN-BMFZPTHFSA-N 1 2 337.464 1.843 20 30 EDEDLO CC(=O)N1CCC[C@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000329993061 444803104 /nfs/dbraw/zinc/80/31/04/444803104.db2.gz KZLLELWAQYBMLC-HZPDHXFCSA-N 1 2 333.436 1.520 20 30 EDEDLO CC(=O)N1CCC[C@H](C[NH+]=C([O-])N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000329993061 444803109 /nfs/dbraw/zinc/80/31/09/444803109.db2.gz KZLLELWAQYBMLC-HZPDHXFCSA-N 1 2 333.436 1.520 20 30 EDEDLO CCOC(=O)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCC1 ZINC000342668237 444805715 /nfs/dbraw/zinc/80/57/15/444805715.db2.gz XKUHGBYMWAFWOG-INIZCTEOSA-N 1 2 332.400 1.716 20 30 EDEDLO CCOC(=O)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCC1 ZINC000342668237 444805718 /nfs/dbraw/zinc/80/57/18/444805718.db2.gz XKUHGBYMWAFWOG-INIZCTEOSA-N 1 2 332.400 1.716 20 30 EDEDLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC(N2CCNC2=O)CC1 ZINC000330033004 444819158 /nfs/dbraw/zinc/81/91/58/444819158.db2.gz VGCXJZRRGLSVCE-UHFFFAOYSA-N 1 2 342.403 1.442 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329958785 444787203 /nfs/dbraw/zinc/78/72/03/444787203.db2.gz MTVSJUHRAXENTF-BARDWOONSA-N 1 2 338.452 1.450 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329958785 444787210 /nfs/dbraw/zinc/78/72/10/444787210.db2.gz MTVSJUHRAXENTF-BARDWOONSA-N 1 2 338.452 1.450 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329958785 444787215 /nfs/dbraw/zinc/78/72/15/444787215.db2.gz MTVSJUHRAXENTF-BARDWOONSA-N 1 2 338.452 1.450 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329958785 444787219 /nfs/dbraw/zinc/78/72/19/444787219.db2.gz MTVSJUHRAXENTF-BARDWOONSA-N 1 2 338.452 1.450 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CCCN(c3cccnc3)C2=O)C(N)=O)cc1 ZINC000342715266 444831011 /nfs/dbraw/zinc/83/10/11/444831011.db2.gz CVJHGLJKQBTHRP-SJORKVTESA-N 1 2 349.394 1.265 20 30 EDEDLO Cc1ccn2cc(CNC(=O)N3CCOC4(CCOCC4)C3)[nH+]c2c1 ZINC000330185726 444878309 /nfs/dbraw/zinc/87/83/09/444878309.db2.gz RNQNLCSZTGBQQR-UHFFFAOYSA-N 1 2 344.415 1.938 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C(C)C)n2CC(=C)C)CC1 ZINC000338794925 444854749 /nfs/dbraw/zinc/85/47/49/444854749.db2.gz MIQUUPYWSQLLDI-UHFFFAOYSA-N 1 2 346.479 1.402 20 30 EDEDLO C[C@@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)S(=O)(=O)C1CCOCC1 ZINC000330161709 444869235 /nfs/dbraw/zinc/86/92/35/444869235.db2.gz UBMBWICZMCKMRA-AGIUHOORSA-N 1 2 344.477 1.550 20 30 EDEDLO C[C@@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)S(=O)(=O)C1CCOCC1 ZINC000330161709 444869237 /nfs/dbraw/zinc/86/92/37/444869237.db2.gz UBMBWICZMCKMRA-AGIUHOORSA-N 1 2 344.477 1.550 20 30 EDEDLO O=C(NCc1cccc(N2CCOCC2)n1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330166975 444870633 /nfs/dbraw/zinc/87/06/33/444870633.db2.gz YOHPQZRIDLILRB-CQSZACIVSA-N 1 2 341.415 1.834 20 30 EDEDLO C[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000336964938 444877712 /nfs/dbraw/zinc/87/77/12/444877712.db2.gz FYXGPAXWDPWZFT-OLZOCXBDSA-N 1 2 335.371 1.774 20 30 EDEDLO C[N@H+](CC(=O)NC1CCCCCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330262413 444912908 /nfs/dbraw/zinc/91/29/08/444912908.db2.gz UZEWUQNRYKZHIM-AWEZNQCLSA-N 1 2 331.482 1.631 20 30 EDEDLO C[N@@H+](CC(=O)NC1CCCCCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330262413 444912911 /nfs/dbraw/zinc/91/29/11/444912911.db2.gz UZEWUQNRYKZHIM-AWEZNQCLSA-N 1 2 331.482 1.631 20 30 EDEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)N3CCCCCC3)CC2)C1 ZINC000338892720 444916792 /nfs/dbraw/zinc/91/67/92/444916792.db2.gz FONKEXKLMIJGEO-CVEARBPZSA-N 1 2 340.493 1.417 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)N2CCOC[C@H](C3CCC3)C2)CCO1 ZINC000330192344 444880222 /nfs/dbraw/zinc/88/02/22/444880222.db2.gz NSDDMVDEQPQEDC-MRXNPFEDSA-N 1 2 339.480 1.760 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCOC[C@H](C3CCC3)C2)CCO1 ZINC000330192344 444880227 /nfs/dbraw/zinc/88/02/27/444880227.db2.gz NSDDMVDEQPQEDC-MRXNPFEDSA-N 1 2 339.480 1.760 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3nnc(C(C)(C)C)s3)C[C@H]21 ZINC000330342868 444945261 /nfs/dbraw/zinc/94/52/61/444945261.db2.gz BHPSWAOUESTSEK-MNOVXSKESA-N 1 2 339.465 1.438 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3nnc(C(C)(C)C)s3)C[C@H]21 ZINC000330342868 444945264 /nfs/dbraw/zinc/94/52/64/444945264.db2.gz BHPSWAOUESTSEK-MNOVXSKESA-N 1 2 339.465 1.438 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)N2CC[C@@H](O)C23CCCC3)CCO1 ZINC000330356762 444951242 /nfs/dbraw/zinc/95/12/42/444951242.db2.gz SAIMGVRYCCMENR-CQSZACIVSA-N 1 2 325.453 1.391 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@H](O)C23CCCC3)CCO1 ZINC000330356762 444951245 /nfs/dbraw/zinc/95/12/45/444951245.db2.gz SAIMGVRYCCMENR-CQSZACIVSA-N 1 2 325.453 1.391 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CC(C)C)CC(F)(F)F)C1=O ZINC000337220104 444991021 /nfs/dbraw/zinc/99/10/21/444991021.db2.gz KJDUVHLAOQUYDC-CYBMUJFWSA-N 1 2 349.397 1.752 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CC(C)C)CC(F)(F)F)C1=O ZINC000337220104 444991025 /nfs/dbraw/zinc/99/10/25/444991025.db2.gz KJDUVHLAOQUYDC-CYBMUJFWSA-N 1 2 349.397 1.752 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCc2ccc(F)cc2)C1=O ZINC000337225566 444992886 /nfs/dbraw/zinc/99/28/86/444992886.db2.gz OMDQABJGQVDJLV-INIZCTEOSA-N 1 2 333.407 1.203 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCc2ccc(F)cc2)C1=O ZINC000337225566 444992888 /nfs/dbraw/zinc/99/28/88/444992888.db2.gz OMDQABJGQVDJLV-INIZCTEOSA-N 1 2 333.407 1.203 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000341894977 445058048 /nfs/dbraw/zinc/05/80/48/445058048.db2.gz VEUBNYIOFIKZTK-AWEZNQCLSA-N 1 2 331.416 1.553 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000330630444 445069839 /nfs/dbraw/zinc/06/98/39/445069839.db2.gz CYHSSIIECWWMIL-QLFBSQMISA-N 1 2 341.452 1.285 20 30 EDEDLO Cc1cccc(C[N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)n1 ZINC000330661083 445085463 /nfs/dbraw/zinc/08/54/63/445085463.db2.gz ZDWYHYTTYMAQLP-GOSISDBHSA-N 1 2 343.475 1.514 20 30 EDEDLO Cc1cccc(C[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)n1 ZINC000330661083 445085465 /nfs/dbraw/zinc/08/54/65/445085465.db2.gz ZDWYHYTTYMAQLP-GOSISDBHSA-N 1 2 343.475 1.514 20 30 EDEDLO C=C(C)[C@@H](CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)OCC ZINC000339202914 445086809 /nfs/dbraw/zinc/08/68/09/445086809.db2.gz SOGODEIQENMYOX-MRXNPFEDSA-N 1 2 347.463 1.086 20 30 EDEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000339213287 445091969 /nfs/dbraw/zinc/09/19/69/445091969.db2.gz IEMXGJUHRAHVOC-OAHLLOKOSA-N 1 2 327.432 1.476 20 30 EDEDLO COc1ccc([C@H](C)NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1F ZINC000330696850 445100580 /nfs/dbraw/zinc/10/05/80/445100580.db2.gz KETOODBOEBLLFP-GXTWGEPZSA-N 1 2 338.427 1.645 20 30 EDEDLO COc1ccc([C@H](C)NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1F ZINC000330696850 445100584 /nfs/dbraw/zinc/10/05/84/445100584.db2.gz KETOODBOEBLLFP-GXTWGEPZSA-N 1 2 338.427 1.645 20 30 EDEDLO CC(=O)Nc1cccc([C@H](C)NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000330714241 445108595 /nfs/dbraw/zinc/10/85/95/445108595.db2.gz ZRUYZQPICWHVSD-GUYCJALGSA-N 1 2 347.463 1.455 20 30 EDEDLO CC(=O)Nc1cccc([C@H](C)NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000330714241 445108600 /nfs/dbraw/zinc/10/86/00/445108600.db2.gz ZRUYZQPICWHVSD-GUYCJALGSA-N 1 2 347.463 1.455 20 30 EDEDLO CC[NH+]1C[C@H](C)N(CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000330868830 445173445 /nfs/dbraw/zinc/17/34/45/445173445.db2.gz YQTJUNDWJWHVBS-GJZGRUSLSA-N 1 2 335.473 1.746 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)CNc1ccc(C#N)cn1 ZINC000345252984 445176031 /nfs/dbraw/zinc/17/60/31/445176031.db2.gz JANTYDWWXSGVHZ-UHFFFAOYSA-N 1 2 348.410 2.230 20 30 EDEDLO CC(C)CN(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330901901 445187838 /nfs/dbraw/zinc/18/78/38/445187838.db2.gz XDGSTXSIRQGCMG-UHFFFAOYSA-N 1 2 333.436 1.603 20 30 EDEDLO Cn1ccnc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1=O ZINC000342078866 445160447 /nfs/dbraw/zinc/16/04/47/445160447.db2.gz RSRZMKPLWFPGDY-UHFFFAOYSA-N 1 2 327.363 1.113 20 30 EDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)o2)CC1 ZINC000330837013 445161090 /nfs/dbraw/zinc/16/10/90/445161090.db2.gz XLHUEEYUCDEXHD-UHFFFAOYSA-N 1 2 349.250 1.971 20 30 EDEDLO C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000346307279 445211528 /nfs/dbraw/zinc/21/15/28/445211528.db2.gz PWNUUPVNIRPYBA-BQFCYCMXSA-N 1 2 329.444 1.984 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000346362455 445212377 /nfs/dbraw/zinc/21/23/77/445212377.db2.gz DIKJWDKYBNJECX-UHFFFAOYSA-N 1 2 335.411 1.531 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC#Cc1cccc(F)c1 ZINC000346532230 445218017 /nfs/dbraw/zinc/21/80/17/445218017.db2.gz WNLLEOZAGNZDBQ-YJBOKZPZSA-N 1 2 345.418 1.682 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000345767142 445198570 /nfs/dbraw/zinc/19/85/70/445198570.db2.gz FQXDNWCOUFBFDU-LBPRGKRZSA-N 1 2 332.370 1.507 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000345767142 445198572 /nfs/dbraw/zinc/19/85/72/445198572.db2.gz FQXDNWCOUFBFDU-LBPRGKRZSA-N 1 2 332.370 1.507 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000347515604 445240349 /nfs/dbraw/zinc/24/03/49/445240349.db2.gz FXJXYTGKZBPLTD-LSDHHAIUSA-N 1 2 336.480 1.621 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000347515604 445240351 /nfs/dbraw/zinc/24/03/51/445240351.db2.gz FXJXYTGKZBPLTD-LSDHHAIUSA-N 1 2 336.480 1.621 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347332495 445236330 /nfs/dbraw/zinc/23/63/30/445236330.db2.gz HTXJTYDKCSSEQH-UONOGXRCSA-N 1 2 349.456 1.499 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347332495 445236331 /nfs/dbraw/zinc/23/63/31/445236331.db2.gz HTXJTYDKCSSEQH-UONOGXRCSA-N 1 2 349.456 1.499 20 30 EDEDLO COc1ccc(C)cc1NC(=O)CNC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000347697881 445245414 /nfs/dbraw/zinc/24/54/14/445245414.db2.gz ZFVGQRHUKFMODD-UONOGXRCSA-N 1 2 344.415 1.340 20 30 EDEDLO C=CCOC[C@H]1NC(=O)N(Cc2cc[nH+]c(N3CCCC3)c2)C1=O ZINC000348453991 445296570 /nfs/dbraw/zinc/29/65/70/445296570.db2.gz XQWUWHDAJKYOSH-CQSZACIVSA-N 1 2 330.388 1.305 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)Cc2c(F)cccc2C#N)no1 ZINC000351838115 445338618 /nfs/dbraw/zinc/33/86/18/445338618.db2.gz PDONONILAADTBE-UHFFFAOYSA-N 1 2 345.378 1.736 20 30 EDEDLO C[C@H](F)CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000351857066 445344627 /nfs/dbraw/zinc/34/46/27/445344627.db2.gz SKLZZNJDGAFRAY-ZDUSSCGKSA-N 1 2 325.409 1.613 20 30 EDEDLO N#C[C@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000359652742 445358067 /nfs/dbraw/zinc/35/80/67/445358067.db2.gz XSPOPSVAGQPYNP-HUUCEWRRSA-N 1 2 329.404 1.410 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351794810 445324754 /nfs/dbraw/zinc/32/47/54/445324754.db2.gz GNCSHWLBVCAVBA-MLGOLLRUSA-N 1 2 348.447 1.264 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351794810 445324755 /nfs/dbraw/zinc/32/47/55/445324755.db2.gz GNCSHWLBVCAVBA-MLGOLLRUSA-N 1 2 348.447 1.264 20 30 EDEDLO COCC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccco1 ZINC000349115142 445512331 /nfs/dbraw/zinc/51/23/31/445512331.db2.gz CEGQZDYSGSXRNG-UHFFFAOYSA-N 1 2 327.384 1.916 20 30 EDEDLO COCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccco1 ZINC000349115142 445512336 /nfs/dbraw/zinc/51/23/36/445512336.db2.gz CEGQZDYSGSXRNG-UHFFFAOYSA-N 1 2 327.384 1.916 20 30 EDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H]1CCCS(=O)(=O)C1 ZINC000352806810 445556309 /nfs/dbraw/zinc/55/63/09/445556309.db2.gz VRTZUKFAELDDOX-CQSZACIVSA-N 1 2 327.446 1.975 20 30 EDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCCS(=O)(=O)C1 ZINC000352806810 445556312 /nfs/dbraw/zinc/55/63/12/445556312.db2.gz VRTZUKFAELDDOX-CQSZACIVSA-N 1 2 327.446 1.975 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cncc(OC)n2)CC1 ZINC000363067596 445665683 /nfs/dbraw/zinc/66/56/83/445665683.db2.gz MMQSFXROIHMSBE-HNNXBMFYSA-N 1 2 345.447 1.196 20 30 EDEDLO CCCCNC(=O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360287294 445678503 /nfs/dbraw/zinc/67/85/03/445678503.db2.gz SUPNMRJJNQFLGS-QGZVFWFLSA-N 1 2 342.443 1.713 20 30 EDEDLO CS(=O)(=O)C[C@@H]1CCCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000353636030 445685110 /nfs/dbraw/zinc/68/51/10/445685110.db2.gz DQVDPZLVPUXHAJ-CQSZACIVSA-N 1 2 332.429 1.463 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000356254237 445701792 /nfs/dbraw/zinc/70/17/92/445701792.db2.gz XXODLYBKIPIHCP-MRXNPFEDSA-N 1 2 342.443 1.482 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](CCOc3ccccc3F)CC2)c1C#N ZINC000349916765 445720411 /nfs/dbraw/zinc/72/04/11/445720411.db2.gz XWELUIQLTZBHJH-UHFFFAOYSA-N 1 2 343.406 1.940 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1[C@@H](NC(=O)CCCC#N)CCC(=O)N1C1CC1 ZINC000360609663 445716848 /nfs/dbraw/zinc/71/68/48/445716848.db2.gz FWDHGMISABLZAO-GUYCJALGSA-N 1 2 329.404 1.425 20 30 EDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000356331604 445738304 /nfs/dbraw/zinc/73/83/04/445738304.db2.gz MSPMIZRAUKHJHA-ZWKOTPCHSA-N 1 2 345.443 1.225 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000349989024 445743002 /nfs/dbraw/zinc/74/30/02/445743002.db2.gz ARKBCJLWMFKSSS-HNNXBMFYSA-N 1 2 333.432 1.771 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000349989024 445743005 /nfs/dbraw/zinc/74/30/05/445743005.db2.gz ARKBCJLWMFKSSS-HNNXBMFYSA-N 1 2 333.432 1.771 20 30 EDEDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)nn1 ZINC000356404502 445774540 /nfs/dbraw/zinc/77/45/40/445774540.db2.gz CAPCAKQDPXWELX-NSHDSACASA-N 1 2 332.389 1.230 20 30 EDEDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)nn1 ZINC000356404502 445774543 /nfs/dbraw/zinc/77/45/43/445774543.db2.gz CAPCAKQDPXWELX-NSHDSACASA-N 1 2 332.389 1.230 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000363330973 445768974 /nfs/dbraw/zinc/76/89/74/445768974.db2.gz DWMCIBNAQHGPJI-KGLIPLIRSA-N 1 2 334.372 1.208 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000363330973 445768976 /nfs/dbraw/zinc/76/89/76/445768976.db2.gz DWMCIBNAQHGPJI-KGLIPLIRSA-N 1 2 334.372 1.208 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cnn(C)c1C#N)c1cccc(F)c1 ZINC000353850288 445783346 /nfs/dbraw/zinc/78/33/46/445783346.db2.gz HIFFONDJUYSVPZ-OAHLLOKOSA-N 1 2 338.346 1.684 20 30 EDEDLO C[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000356534943 445846545 /nfs/dbraw/zinc/84/65/45/445846545.db2.gz OFDVYNUWGCODPV-OAHLLOKOSA-N 1 2 331.416 1.254 20 30 EDEDLO COc1cc(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)ccc1C#N ZINC000358973472 445870211 /nfs/dbraw/zinc/87/02/11/445870211.db2.gz CAQGTDSYOSPPFA-KRWDZBQOSA-N 1 2 343.427 1.684 20 30 EDEDLO COc1cc(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)ccc1C#N ZINC000358973472 445870213 /nfs/dbraw/zinc/87/02/13/445870213.db2.gz CAQGTDSYOSPPFA-KRWDZBQOSA-N 1 2 343.427 1.684 20 30 EDEDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)CC2(C#N)CCC2)C[C@@H](C)O1 ZINC000354104317 445905856 /nfs/dbraw/zinc/90/58/56/445905856.db2.gz NFFUHMSGFXZYET-ZIAGYGMSSA-N 1 2 343.493 1.487 20 30 EDEDLO C=CCCn1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)nn1 ZINC000351281983 446024048 /nfs/dbraw/zinc/02/40/48/446024048.db2.gz AOOPVHHUIUWJES-GXTWGEPZSA-N 1 2 330.392 1.830 20 30 EDEDLO C=CCCn1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)nn1 ZINC000351281983 446024055 /nfs/dbraw/zinc/02/40/55/446024055.db2.gz AOOPVHHUIUWJES-GXTWGEPZSA-N 1 2 330.392 1.830 20 30 EDEDLO C[C@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000356810184 446041038 /nfs/dbraw/zinc/04/10/38/446041038.db2.gz FQSSTIOCMRHRID-KBXCAEBGSA-N 1 2 342.443 1.559 20 30 EDEDLO C=CCNC(=O)c1cccc(-c2noc([C@H]3C[N@H+](C)CCO3)n2)c1 ZINC000351221371 446012328 /nfs/dbraw/zinc/01/23/28/446012328.db2.gz NFDQQIKCLJTNPK-CQSZACIVSA-N 1 2 328.372 1.656 20 30 EDEDLO C=CCNC(=O)c1cccc(-c2noc([C@H]3C[N@@H+](C)CCO3)n2)c1 ZINC000351221371 446012330 /nfs/dbraw/zinc/01/23/30/446012330.db2.gz NFDQQIKCLJTNPK-CQSZACIVSA-N 1 2 328.372 1.656 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cnc3ccc(C#N)cn13)C[C@@H](C)O2 ZINC000369291271 446053340 /nfs/dbraw/zinc/05/33/40/446053340.db2.gz XRIVBXSQPHOPHH-LBTNJELSSA-N 1 2 326.400 1.974 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cnc3ccc(C#N)cn13)C[C@@H](C)O2 ZINC000369291271 446053345 /nfs/dbraw/zinc/05/33/45/446053345.db2.gz XRIVBXSQPHOPHH-LBTNJELSSA-N 1 2 326.400 1.974 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000356836058 446058107 /nfs/dbraw/zinc/05/81/07/446058107.db2.gz GXMLOCJFYUTQNE-OAHLLOKOSA-N 1 2 337.383 1.806 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)N1CCc2ccccc2C1 ZINC000361957282 446105949 /nfs/dbraw/zinc/10/59/49/446105949.db2.gz KHKXGEYDSYACPM-UHFFFAOYSA-N 1 2 342.443 1.713 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@@]2(CCCOC2)O1 ZINC000369539166 446130010 /nfs/dbraw/zinc/13/00/10/446130010.db2.gz DBFMATSJWHYBJD-LZLYRXPVSA-N 1 2 337.464 1.655 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@@]2(CCCOC2)O1 ZINC000369539166 446130014 /nfs/dbraw/zinc/13/00/14/446130014.db2.gz DBFMATSJWHYBJD-LZLYRXPVSA-N 1 2 337.464 1.655 20 30 EDEDLO N#Cc1ncn(C2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)n1 ZINC000366341749 446163660 /nfs/dbraw/zinc/16/36/60/446163660.db2.gz URRYIDWFQRNYQG-UHFFFAOYSA-N 1 2 349.398 1.961 20 30 EDEDLO C=CC[N@@H+](CCOC)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000362051004 446179425 /nfs/dbraw/zinc/17/94/25/446179425.db2.gz WWMYRQIIABCCFE-UHFFFAOYSA-N 1 2 331.416 1.885 20 30 EDEDLO C=CC[N@H+](CCOC)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000362051004 446179430 /nfs/dbraw/zinc/17/94/30/446179430.db2.gz WWMYRQIIABCCFE-UHFFFAOYSA-N 1 2 331.416 1.885 20 30 EDEDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366400402 446195322 /nfs/dbraw/zinc/19/53/22/446195322.db2.gz DHJNOBUWACWCMX-LBPRGKRZSA-N 1 2 328.332 1.248 20 30 EDEDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000366400402 446195326 /nfs/dbraw/zinc/19/53/26/446195326.db2.gz DHJNOBUWACWCMX-LBPRGKRZSA-N 1 2 328.332 1.248 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccnn2CC[NH+](C)C)cc1C#N ZINC000359493138 446256519 /nfs/dbraw/zinc/25/65/19/446256519.db2.gz LUPIREPOMGMMRL-UHFFFAOYSA-N 1 2 346.416 1.391 20 30 EDEDLO CC1(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000366569544 446264193 /nfs/dbraw/zinc/26/41/93/446264193.db2.gz HJOOIUSGWOPZIE-GOSISDBHSA-N 1 2 348.447 1.302 20 30 EDEDLO CC1(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000366569544 446264201 /nfs/dbraw/zinc/26/42/01/446264201.db2.gz HJOOIUSGWOPZIE-GOSISDBHSA-N 1 2 348.447 1.302 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c1C ZINC000362237291 446280175 /nfs/dbraw/zinc/28/01/75/446280175.db2.gz SPXGOPXAGNXNKF-CQSZACIVSA-N 1 2 339.461 1.227 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)c1C ZINC000362237291 446280178 /nfs/dbraw/zinc/28/01/78/446280178.db2.gz SPXGOPXAGNXNKF-CQSZACIVSA-N 1 2 339.461 1.227 20 30 EDEDLO Cn1c[nH+]c2c1CCN(S(=O)(=O)c1c(F)cc(C#N)cc1F)C2 ZINC000370469395 446292690 /nfs/dbraw/zinc/29/26/90/446292690.db2.gz CTUYJYOFKZFYDB-UHFFFAOYSA-N 1 2 338.339 1.317 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000365685544 446300143 /nfs/dbraw/zinc/30/01/43/446300143.db2.gz GYZIBLQVMCBURE-BFYDXBDKSA-N 1 2 343.427 1.647 20 30 EDEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H](C)O2 ZINC000374027558 446348604 /nfs/dbraw/zinc/34/86/04/446348604.db2.gz NRTAAEAYPGOWJO-LTCOOKNTSA-N 1 2 335.448 1.453 20 30 EDEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H](C)O2 ZINC000374027558 446348608 /nfs/dbraw/zinc/34/86/08/446348608.db2.gz NRTAAEAYPGOWJO-LTCOOKNTSA-N 1 2 335.448 1.453 20 30 EDEDLO C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1c1ccc(Cl)c(C#N)n1 ZINC000374153069 446354373 /nfs/dbraw/zinc/35/43/73/446354373.db2.gz DZWCZCSWZJAAHP-KBPBESRZSA-N 1 2 349.866 1.448 20 30 EDEDLO C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1c1ccc(Cl)c(C#N)n1 ZINC000374153069 446354376 /nfs/dbraw/zinc/35/43/76/446354376.db2.gz DZWCZCSWZJAAHP-KBPBESRZSA-N 1 2 349.866 1.448 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000370610845 446357406 /nfs/dbraw/zinc/35/74/06/446357406.db2.gz QXGNXGQOSASRAD-WMLDXEAASA-N 1 2 328.416 1.292 20 30 EDEDLO Cc1nc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000411051275 446398258 /nfs/dbraw/zinc/39/82/58/446398258.db2.gz MERRKPATWGBNFE-QGZVFWFLSA-N 1 2 336.395 2.101 20 30 EDEDLO Cc1nc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC000411051275 446398262 /nfs/dbraw/zinc/39/82/62/446398262.db2.gz MERRKPATWGBNFE-QGZVFWFLSA-N 1 2 336.395 2.101 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000431923234 446443061 /nfs/dbraw/zinc/44/30/61/446443061.db2.gz CIZRXIJWDUIKHI-MSOLQXFVSA-N 1 2 343.475 1.967 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000431923234 446443067 /nfs/dbraw/zinc/44/30/67/446443067.db2.gz CIZRXIJWDUIKHI-MSOLQXFVSA-N 1 2 343.475 1.967 20 30 EDEDLO Cn1c[nH+]c2c1CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000370844135 446476418 /nfs/dbraw/zinc/47/64/18/446476418.db2.gz UALWLPMKKUQCBP-UHFFFAOYSA-N 1 2 329.791 1.942 20 30 EDEDLO COc1cc(OC)cc(-n2nnnc2C[N@H+](C)[C@@H](C)CCC#N)c1 ZINC000411306665 446482659 /nfs/dbraw/zinc/48/26/59/446482659.db2.gz GCPMIGYIZPHLJQ-LBPRGKRZSA-N 1 2 330.392 1.804 20 30 EDEDLO COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)[C@@H](C)CCC#N)c1 ZINC000411306665 446482664 /nfs/dbraw/zinc/48/26/64/446482664.db2.gz GCPMIGYIZPHLJQ-LBPRGKRZSA-N 1 2 330.392 1.804 20 30 EDEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000432556104 446484535 /nfs/dbraw/zinc/48/45/35/446484535.db2.gz IGHMLDUDPQBADY-CQSZACIVSA-N 1 2 336.480 1.583 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)C1CC1 ZINC000367056762 446492883 /nfs/dbraw/zinc/49/28/83/446492883.db2.gz BOOCZXMFEZWRMD-SFHVURJKSA-N 1 2 337.427 1.747 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000367485384 446554035 /nfs/dbraw/zinc/55/40/35/446554035.db2.gz XOECOGVYRNLALA-BRWVUGGUSA-N 1 2 349.475 1.845 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000367485384 446554040 /nfs/dbraw/zinc/55/40/40/446554040.db2.gz XOECOGVYRNLALA-BRWVUGGUSA-N 1 2 349.475 1.845 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000411794787 446677149 /nfs/dbraw/zinc/67/71/49/446677149.db2.gz UCXOGCOEWBTBFZ-OLZOCXBDSA-N 1 2 330.367 1.770 20 30 EDEDLO C[C@H]1COCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000436212232 446727138 /nfs/dbraw/zinc/72/71/38/446727138.db2.gz UCDFSXIDMHBRKZ-YJBOKZPZSA-N 1 2 327.428 1.875 20 30 EDEDLO C#CCOc1ccccc1C[NH+]1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000371315680 446768969 /nfs/dbraw/zinc/76/89/69/446768969.db2.gz VNPIZULVMZUVHZ-GOSISDBHSA-N 1 2 341.455 1.485 20 30 EDEDLO Cc1ncccc1O[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000375456695 446811905 /nfs/dbraw/zinc/81/19/05/446811905.db2.gz HSEVSMNWVGFTJW-MAUKXSAKSA-N 1 2 328.416 1.652 20 30 EDEDLO Cc1ncccc1O[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000375456695 446811911 /nfs/dbraw/zinc/81/19/11/446811911.db2.gz HSEVSMNWVGFTJW-MAUKXSAKSA-N 1 2 328.416 1.652 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(c2ncccc2F)CC1)C1CC1 ZINC000375527023 446873198 /nfs/dbraw/zinc/87/31/98/446873198.db2.gz VSXBSPXOHWMMJZ-GOSISDBHSA-N 1 2 345.422 1.541 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCN(c2ncccc2F)CC1)C1CC1 ZINC000375527023 446873200 /nfs/dbraw/zinc/87/32/00/446873200.db2.gz VSXBSPXOHWMMJZ-GOSISDBHSA-N 1 2 345.422 1.541 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3scnc3C)CC2)C1=O ZINC000375598016 446915439 /nfs/dbraw/zinc/91/54/39/446915439.db2.gz OCBUPXXABGKOHW-AWEZNQCLSA-N 1 2 348.472 1.386 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3scnc3C)CC2)C1=O ZINC000375598016 446915443 /nfs/dbraw/zinc/91/54/43/446915443.db2.gz OCBUPXXABGKOHW-AWEZNQCLSA-N 1 2 348.472 1.386 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368577595 446954742 /nfs/dbraw/zinc/95/47/42/446954742.db2.gz WJUVTASUAKNQTO-KRWDZBQOSA-N 1 2 343.427 1.780 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368577595 446954747 /nfs/dbraw/zinc/95/47/47/446954747.db2.gz WJUVTASUAKNQTO-KRWDZBQOSA-N 1 2 343.427 1.780 20 30 EDEDLO Cc1cc(NCCS(=O)(=O)NCc2ccccc2)c(C#N)c[nH+]1 ZINC000425204195 447061263 /nfs/dbraw/zinc/06/12/63/447061263.db2.gz GVFUZPDVFODKNS-UHFFFAOYSA-N 1 2 330.413 1.215 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000375800443 447062298 /nfs/dbraw/zinc/06/22/98/447062298.db2.gz ANZRUIQNLOQEIZ-CQSZACIVSA-N 1 2 347.415 1.550 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000375800443 447062300 /nfs/dbraw/zinc/06/23/00/447062300.db2.gz ANZRUIQNLOQEIZ-CQSZACIVSA-N 1 2 347.415 1.550 20 30 EDEDLO COC(=O)[C@@H](CNc1cc(C)[nH+]cc1C#N)Cc1ccc(O)cc1 ZINC000425221647 447069944 /nfs/dbraw/zinc/06/99/44/447069944.db2.gz FEGZPNYJDSJHMH-CQSZACIVSA-N 1 2 325.368 1.833 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425400767 447145866 /nfs/dbraw/zinc/14/58/66/447145866.db2.gz GDHUUMIJOCMQPQ-HUUCEWRRSA-N 1 2 330.432 1.981 20 30 EDEDLO N#C[C@@H]1C[N@@H+](C[C@@H]2CC3(CC3)C(=O)O2)C[C@]12C(=O)Nc1ccccc12 ZINC000368894469 447186854 /nfs/dbraw/zinc/18/68/54/447186854.db2.gz LYFSNXFQHUXLDH-NQCMUKECSA-N 1 2 337.379 1.428 20 30 EDEDLO N#C[C@@H]1C[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)C[C@]12C(=O)Nc1ccccc12 ZINC000368894469 447186861 /nfs/dbraw/zinc/18/68/61/447186861.db2.gz LYFSNXFQHUXLDH-NQCMUKECSA-N 1 2 337.379 1.428 20 30 EDEDLO COCC(COC)[NH+]1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000413472624 447192841 /nfs/dbraw/zinc/19/28/41/447192841.db2.gz KICBIRWXQLSFJM-UHFFFAOYSA-N 1 2 325.359 1.620 20 30 EDEDLO CN1CC[NH+](C[C@@H]2CN(c3ccc(Cl)cc3C#N)CCO2)CC1 ZINC000375988432 447194166 /nfs/dbraw/zinc/19/41/66/447194166.db2.gz YMXMBQPUMNYKSZ-MRXNPFEDSA-N 1 2 334.851 1.664 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455861112 447244551 /nfs/dbraw/zinc/24/45/51/447244551.db2.gz GDAXROMMJOVIKM-VIFPVBQESA-N 1 2 343.225 1.969 20 30 EDEDLO Cc1ccc(-n2nnnc2SC[C@@H](O)C[N@H+](C)CCC#N)c(C)c1 ZINC000414092316 447274934 /nfs/dbraw/zinc/27/49/34/447274934.db2.gz FTYKGNPKUNONDY-AWEZNQCLSA-N 1 2 346.460 1.578 20 30 EDEDLO Cc1ccc(-n2nnnc2SC[C@@H](O)C[N@@H+](C)CCC#N)c(C)c1 ZINC000414092316 447274939 /nfs/dbraw/zinc/27/49/39/447274939.db2.gz FTYKGNPKUNONDY-AWEZNQCLSA-N 1 2 346.460 1.578 20 30 EDEDLO CCN(CC)C(=O)c1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414144614 447277647 /nfs/dbraw/zinc/27/76/47/447277647.db2.gz JTCGEWODYQUCDP-MRXNPFEDSA-N 1 2 333.432 1.754 20 30 EDEDLO CCN(CC)C(=O)c1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414144614 447277650 /nfs/dbraw/zinc/27/76/50/447277650.db2.gz JTCGEWODYQUCDP-MRXNPFEDSA-N 1 2 333.432 1.754 20 30 EDEDLO COCCc1nsc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000426504875 447460173 /nfs/dbraw/zinc/46/01/73/447460173.db2.gz QHFBLOQBOKEDIA-UHFFFAOYSA-N 1 2 343.456 1.921 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C1(C#N)CCOCC1)C2 ZINC000408112353 447630266 /nfs/dbraw/zinc/63/02/66/447630266.db2.gz KBSRJWSOVJNDFT-ZDUSSCGKSA-N 1 2 330.432 1.932 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ccc(C#N)cn1 ZINC000496014251 447693932 /nfs/dbraw/zinc/69/39/32/447693932.db2.gz KOVKVRLJKVJOMX-AWEZNQCLSA-N 1 2 331.420 1.916 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ccc(C#N)cn1 ZINC000496014251 447693940 /nfs/dbraw/zinc/69/39/40/447693940.db2.gz KOVKVRLJKVJOMX-AWEZNQCLSA-N 1 2 331.420 1.916 20 30 EDEDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cccc(F)c3C#N)C2)nn1 ZINC000428425193 447698765 /nfs/dbraw/zinc/69/87/65/447698765.db2.gz VQWQHRKIDRWKJW-GFCCVEGCSA-N 1 2 329.335 1.522 20 30 EDEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)nn1 ZINC000428425193 447698771 /nfs/dbraw/zinc/69/87/71/447698771.db2.gz VQWQHRKIDRWKJW-GFCCVEGCSA-N 1 2 329.335 1.522 20 30 EDEDLO COC(=O)c1cccc2c1CC[N@@H+]([C@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000459538639 447699132 /nfs/dbraw/zinc/69/91/32/447699132.db2.gz BIFGSUOJSRJYMC-CYBMUJFWSA-N 1 2 341.411 1.782 20 30 EDEDLO COC(=O)c1cccc2c1CC[N@H+]([C@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000459538639 447699138 /nfs/dbraw/zinc/69/91/38/447699138.db2.gz BIFGSUOJSRJYMC-CYBMUJFWSA-N 1 2 341.411 1.782 20 30 EDEDLO COC(=O)c1coc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000451038047 447657839 /nfs/dbraw/zinc/65/78/39/447657839.db2.gz RQSOWMAOERBRMH-UHFFFAOYSA-N 1 2 329.356 1.981 20 30 EDEDLO COC(=O)c1coc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000451038047 447657841 /nfs/dbraw/zinc/65/78/41/447657841.db2.gz RQSOWMAOERBRMH-UHFFFAOYSA-N 1 2 329.356 1.981 20 30 EDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000459466547 447676866 /nfs/dbraw/zinc/67/68/66/447676866.db2.gz ONJMEDAFDBXXRD-GWCFXTLKSA-N 1 2 329.339 1.022 20 30 EDEDLO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)n1 ZINC000459484553 447683390 /nfs/dbraw/zinc/68/33/90/447683390.db2.gz SYFZEKHQNZCOGN-JQWIXIFHSA-N 1 2 336.417 1.469 20 30 EDEDLO CC(C)(C)n1nnnc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428798486 447717036 /nfs/dbraw/zinc/71/70/36/447717036.db2.gz BDHMYJCRXRAORW-ZDUSSCGKSA-N 1 2 327.392 1.348 20 30 EDEDLO CC(C)(C)n1nnnc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428798486 447717043 /nfs/dbraw/zinc/71/70/43/447717043.db2.gz BDHMYJCRXRAORW-ZDUSSCGKSA-N 1 2 327.392 1.348 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451265616 447718461 /nfs/dbraw/zinc/71/84/61/447718461.db2.gz OGMGXBXUIOFLIX-WMZOPIPTSA-N 1 2 333.407 1.549 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451265616 447718467 /nfs/dbraw/zinc/71/84/67/447718467.db2.gz OGMGXBXUIOFLIX-WMZOPIPTSA-N 1 2 333.407 1.549 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)CC(C)(C)CC#N)C1 ZINC000451464983 447733077 /nfs/dbraw/zinc/73/30/77/447733077.db2.gz MPTMEKATAKHODV-OAHLLOKOSA-N 1 2 343.493 1.299 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)CC(C)(C)CC#N)C1 ZINC000451464983 447733082 /nfs/dbraw/zinc/73/30/82/447733082.db2.gz MPTMEKATAKHODV-OAHLLOKOSA-N 1 2 343.493 1.299 20 30 EDEDLO Cc1nc(CN2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cs1 ZINC000530337582 447863625 /nfs/dbraw/zinc/86/36/25/447863625.db2.gz RPHHZOPHYBNDGX-CYBMUJFWSA-N 1 2 347.488 1.520 20 30 EDEDLO CO[C@@H]1C[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H]1OC ZINC000487985930 447839765 /nfs/dbraw/zinc/83/97/65/447839765.db2.gz ICCUROPMDPCHEC-QZTJIDSGSA-N 1 2 345.443 1.896 20 30 EDEDLO N#Cc1ccc(C(F)(F)F)nc1SC[C@H](O)C[NH+]1CCOCC1 ZINC000488577201 447849017 /nfs/dbraw/zinc/84/90/17/447849017.db2.gz WRLUNTRWRAZJLW-LLVKDONJSA-N 1 2 347.362 1.757 20 30 EDEDLO N#CC1(NC(=O)C[NH+]2CCN(c3cncc4ccccc43)CC2)CCC1 ZINC000549387495 447874556 /nfs/dbraw/zinc/87/45/56/447874556.db2.gz JEJWDISKRGLXOE-UHFFFAOYSA-N 1 2 349.438 1.919 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000497159557 447906381 /nfs/dbraw/zinc/90/63/81/447906381.db2.gz GTZAEQLKDXSMLN-OAHLLOKOSA-N 1 2 330.388 1.659 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000497159557 447906383 /nfs/dbraw/zinc/90/63/83/447906383.db2.gz GTZAEQLKDXSMLN-OAHLLOKOSA-N 1 2 330.388 1.659 20 30 EDEDLO C#CCN1CCN(C(=O)C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)CC1 ZINC000490915678 447909476 /nfs/dbraw/zinc/90/94/76/447909476.db2.gz OGAQHYFPYSTDOA-INIZCTEOSA-N 1 2 345.447 1.011 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2noc(C)n2)c(OC)c1 ZINC000570323173 447986050 /nfs/dbraw/zinc/98/60/50/447986050.db2.gz UHNZDHJXSSOZMY-AWEZNQCLSA-N 1 2 333.388 1.645 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3C(=O)NC3CC3)o2)c1 ZINC000525784701 448025499 /nfs/dbraw/zinc/02/54/99/448025499.db2.gz FDTBXYWCLKJGKI-OAHLLOKOSA-N 1 2 337.383 1.851 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3C(=O)NC3CC3)o2)c1 ZINC000525784701 448025505 /nfs/dbraw/zinc/02/55/05/448025505.db2.gz FDTBXYWCLKJGKI-OAHLLOKOSA-N 1 2 337.383 1.851 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000491660613 448076950 /nfs/dbraw/zinc/07/69/50/448076950.db2.gz DQRKMKDSTKDXGL-UHFFFAOYSA-N 1 2 337.763 1.404 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC000491736891 448094168 /nfs/dbraw/zinc/09/41/68/448094168.db2.gz QGZBYGGGKOWYEL-OAHLLOKOSA-N 1 2 347.436 1.877 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC000491736891 448094174 /nfs/dbraw/zinc/09/41/74/448094174.db2.gz QGZBYGGGKOWYEL-OAHLLOKOSA-N 1 2 347.436 1.877 20 30 EDEDLO Cc1ncc2c(n1)CCN(CC#CC[N@@H+]1CCc3nc(C)ncc3C1)C2 ZINC000556495811 448121201 /nfs/dbraw/zinc/12/12/01/448121201.db2.gz RYXYCTFPKJDUEO-UHFFFAOYSA-N 1 2 348.454 1.303 20 30 EDEDLO Cc1ncc2c(n1)CCN(CC#CC[N@H+]1CCc3nc(C)ncc3C1)C2 ZINC000556495811 448121208 /nfs/dbraw/zinc/12/12/08/448121208.db2.gz RYXYCTFPKJDUEO-UHFFFAOYSA-N 1 2 348.454 1.303 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCC2(O)CCC2)CC1 ZINC000591010778 448229057 /nfs/dbraw/zinc/22/90/57/448229057.db2.gz YRTIBZCBQNCSOO-UHFFFAOYSA-N 1 2 349.456 1.170 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1ccc(C#N)cc1F ZINC000591155879 448275170 /nfs/dbraw/zinc/27/51/70/448275170.db2.gz SWBHHQKOOUYIHF-UHFFFAOYSA-N 1 2 334.395 1.607 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000577650039 448353048 /nfs/dbraw/zinc/35/30/48/448353048.db2.gz AULLENJUCOSLKP-UHFFFAOYSA-N 1 2 325.453 1.076 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000577650039 448353054 /nfs/dbraw/zinc/35/30/54/448353054.db2.gz AULLENJUCOSLKP-UHFFFAOYSA-N 1 2 325.453 1.076 20 30 EDEDLO CC(C)NC(=O)NCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000515837200 448355788 /nfs/dbraw/zinc/35/57/88/448355788.db2.gz NUUVRQGXDDHBJE-UHFFFAOYSA-N 1 2 333.411 1.527 20 30 EDEDLO CCCN(C(=O)[C@H](C)[NH2+][C@@H](CC)CC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000565175435 448357664 /nfs/dbraw/zinc/35/76/64/448357664.db2.gz UZGBPVJQIQOUQB-MELADBBJSA-N 1 2 329.466 1.082 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N1CCSC[C@H]1C#N)C(F)(F)F ZINC000565192411 448359076 /nfs/dbraw/zinc/35/90/76/448359076.db2.gz OUBSFIJUYJJEKN-NXEZZACHSA-N 1 2 332.351 1.924 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnc(OC)c(Cl)c2)CC1 ZINC000533555624 448416063 /nfs/dbraw/zinc/41/60/63/448416063.db2.gz FFBVCGSVRMHPLM-UHFFFAOYSA-N 1 2 338.839 1.163 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1nc(-c2ccncc2)no1 ZINC000565658976 448375242 /nfs/dbraw/zinc/37/52/42/448375242.db2.gz BFTPHIFKZXIODV-INIZCTEOSA-N 1 2 328.376 1.024 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000578108203 448460932 /nfs/dbraw/zinc/46/09/32/448460932.db2.gz JMMNDAYKJZEBKJ-SFHVURJKSA-N 1 2 344.415 1.152 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@H](C)CC)n2C2CC2)CC1 ZINC000584417219 448520773 /nfs/dbraw/zinc/52/07/73/448520773.db2.gz SLZZWPWKCXNYOC-CQSZACIVSA-N 1 2 346.479 1.551 20 30 EDEDLO N#CC[C@]1(O)CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000591903215 448560523 /nfs/dbraw/zinc/56/05/23/448560523.db2.gz KKCDSEOYRYXAFD-SFHVURJKSA-N 1 2 339.399 1.491 20 30 EDEDLO N#Cc1cncc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)n1 ZINC000591907409 448563389 /nfs/dbraw/zinc/56/33/89/448563389.db2.gz AGSIOEBWZHSRQT-UHFFFAOYSA-N 1 2 337.387 1.057 20 30 EDEDLO CC(C)OC[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528455648 448535868 /nfs/dbraw/zinc/53/58/68/448535868.db2.gz JQZSCHIEDXRBIC-IAGOWNOFSA-N 1 2 334.416 1.424 20 30 EDEDLO CC(C)OC[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528455648 448535875 /nfs/dbraw/zinc/53/58/75/448535875.db2.gz JQZSCHIEDXRBIC-IAGOWNOFSA-N 1 2 334.416 1.424 20 30 EDEDLO CC[C@@]1(C)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528474375 448542555 /nfs/dbraw/zinc/54/25/55/448542555.db2.gz PFQRPQOZISQSDJ-IBGZPJMESA-N 1 2 326.396 1.787 20 30 EDEDLO CC[C@@]1(C)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528474375 448542562 /nfs/dbraw/zinc/54/25/62/448542562.db2.gz PFQRPQOZISQSDJ-IBGZPJMESA-N 1 2 326.396 1.787 20 30 EDEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528479223 448545483 /nfs/dbraw/zinc/54/54/83/448545483.db2.gz WDLOYKLDSONLIK-BSEYFRJRSA-N 1 2 344.436 1.129 20 30 EDEDLO C[C@H]1CC[S@](=O)CC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528479223 448545488 /nfs/dbraw/zinc/54/54/88/448545488.db2.gz WDLOYKLDSONLIK-BSEYFRJRSA-N 1 2 344.436 1.129 20 30 EDEDLO C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CO1 ZINC000584718063 448607732 /nfs/dbraw/zinc/60/77/32/448607732.db2.gz OFIXSYNZHCAISL-YOEHRIQHSA-N 1 2 328.416 1.563 20 30 EDEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000578585835 448584047 /nfs/dbraw/zinc/58/40/47/448584047.db2.gz XYMGDFSAMCCSIR-GJZGRUSLSA-N 1 2 329.448 1.769 20 30 EDEDLO Cc1cccc2[nH+]c(CCNC(=O)NC3CCN(CC#N)CC3)cn21 ZINC000591932316 448588505 /nfs/dbraw/zinc/58/85/05/448588505.db2.gz PDAONTRYVGKBRL-UHFFFAOYSA-N 1 2 340.431 1.472 20 30 EDEDLO CCN(C(=O)[C@@H](C)[NH+]1CCC(CC#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000541025154 448664660 /nfs/dbraw/zinc/66/46/60/448664660.db2.gz UGHXSRXPOKEPFA-HIFRSBDPSA-N 1 2 341.477 1.036 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(COc2ccccc2F)on1 ZINC000567475220 448701920 /nfs/dbraw/zinc/70/19/20/448701920.db2.gz CNFADQNUEAVDCG-QGZVFWFLSA-N 1 2 346.362 1.966 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(COc2ccccc2F)on1 ZINC000567475219 448702104 /nfs/dbraw/zinc/70/21/04/448702104.db2.gz CNFADQNUEAVDCG-KRWDZBQOSA-N 1 2 346.362 1.966 20 30 EDEDLO C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(CC#N)CC3)CC2)CC1 ZINC000541918310 448702813 /nfs/dbraw/zinc/70/28/13/448702813.db2.gz XONLTOJOVWOUQH-UHFFFAOYSA-N 1 2 347.507 1.880 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCO1 ZINC000542809049 448722576 /nfs/dbraw/zinc/72/25/76/448722576.db2.gz OTIQSPZIQAWJKE-CXAGYDPISA-N 1 2 339.436 1.085 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCO1 ZINC000542809049 448722579 /nfs/dbraw/zinc/72/25/79/448722579.db2.gz OTIQSPZIQAWJKE-CXAGYDPISA-N 1 2 339.436 1.085 20 30 EDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000573772796 448707765 /nfs/dbraw/zinc/70/77/65/448707765.db2.gz WASPEESSIRBVOS-BEFAXECRSA-N 1 2 346.475 1.377 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148542 448708913 /nfs/dbraw/zinc/70/89/13/448708913.db2.gz WMAJDUUUCYINKO-MEDUHNTESA-N 1 2 339.342 1.965 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148542 448708920 /nfs/dbraw/zinc/70/89/20/448708920.db2.gz WMAJDUUUCYINKO-MEDUHNTESA-N 1 2 339.342 1.965 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149865 448710084 /nfs/dbraw/zinc/71/00/84/448710084.db2.gz YKEVNYIEQZWLAL-BDJLRTHQSA-N 1 2 332.791 1.889 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149865 448710091 /nfs/dbraw/zinc/71/00/91/448710091.db2.gz YKEVNYIEQZWLAL-BDJLRTHQSA-N 1 2 332.791 1.889 20 30 EDEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150893 448711759 /nfs/dbraw/zinc/71/17/59/448711759.db2.gz JFORUKVJWGGPNF-PXAZEXFGSA-N 1 2 337.370 1.362 20 30 EDEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150893 448711764 /nfs/dbraw/zinc/71/17/64/448711764.db2.gz JFORUKVJWGGPNF-PXAZEXFGSA-N 1 2 337.370 1.362 20 30 EDEDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150894 448712045 /nfs/dbraw/zinc/71/20/45/448712045.db2.gz JFORUKVJWGGPNF-SJCJKPOMSA-N 1 2 337.370 1.362 20 30 EDEDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150894 448712048 /nfs/dbraw/zinc/71/20/48/448712048.db2.gz JFORUKVJWGGPNF-SJCJKPOMSA-N 1 2 337.370 1.362 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000592152272 448713818 /nfs/dbraw/zinc/71/38/18/448713818.db2.gz WUNJSMWGWRJOAN-HNNXBMFYSA-N 1 2 329.316 1.495 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000592152272 448713823 /nfs/dbraw/zinc/71/38/23/448713823.db2.gz WUNJSMWGWRJOAN-HNNXBMFYSA-N 1 2 329.316 1.495 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000545085991 448774700 /nfs/dbraw/zinc/77/47/00/448774700.db2.gz DAJSLVZXRLZMST-JSGCOSHPSA-N 1 2 327.388 2.000 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000545085991 448774706 /nfs/dbraw/zinc/77/47/06/448774706.db2.gz DAJSLVZXRLZMST-JSGCOSHPSA-N 1 2 327.388 2.000 20 30 EDEDLO C[C@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1noc(-c2ccccc2)n1 ZINC000579463387 448798385 /nfs/dbraw/zinc/79/83/85/448798385.db2.gz QDENXRFBBVPNNL-DZGCQCFKSA-N 1 2 329.404 1.594 20 30 EDEDLO C[C@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1noc(-c2ccccc2)n1 ZINC000579463387 448798391 /nfs/dbraw/zinc/79/83/91/448798391.db2.gz QDENXRFBBVPNNL-DZGCQCFKSA-N 1 2 329.404 1.594 20 30 EDEDLO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1noc(-c2ccccc2)n1 ZINC000579463387 448798395 /nfs/dbraw/zinc/79/83/95/448798395.db2.gz QDENXRFBBVPNNL-DZGCQCFKSA-N 1 2 329.404 1.594 20 30 EDEDLO C[C@@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1noc(-c2ccccc2)n1 ZINC000579463389 448798841 /nfs/dbraw/zinc/79/88/41/448798841.db2.gz QDENXRFBBVPNNL-UKRRQHHQSA-N 1 2 329.404 1.594 20 30 EDEDLO C[C@@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1noc(-c2ccccc2)n1 ZINC000579463389 448798846 /nfs/dbraw/zinc/79/88/46/448798846.db2.gz QDENXRFBBVPNNL-UKRRQHHQSA-N 1 2 329.404 1.594 20 30 EDEDLO C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1noc(-c2ccccc2)n1 ZINC000579463389 448798852 /nfs/dbraw/zinc/79/88/52/448798852.db2.gz QDENXRFBBVPNNL-UKRRQHHQSA-N 1 2 329.404 1.594 20 30 EDEDLO CC(C)c1ccc2ncc(C#N)c(N3CC[NH+](CC(N)=O)CC3)c2c1 ZINC000519744455 448831568 /nfs/dbraw/zinc/83/15/68/448831568.db2.gz PKTKVLSEGSUOSI-UHFFFAOYSA-N 1 2 337.427 1.837 20 30 EDEDLO C[C@@H](NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000587700400 448842494 /nfs/dbraw/zinc/84/24/94/448842494.db2.gz DBXHYOSYAKSHAF-IUODEOHRSA-N 1 2 337.383 1.063 20 30 EDEDLO CC(C)C(=O)N1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000592499947 448866975 /nfs/dbraw/zinc/86/69/75/448866975.db2.gz FNBLXHZXDWCGAA-UHFFFAOYSA-N 1 2 326.404 1.291 20 30 EDEDLO CC(C)C(=O)N1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000592499947 448866978 /nfs/dbraw/zinc/86/69/78/448866978.db2.gz FNBLXHZXDWCGAA-UHFFFAOYSA-N 1 2 326.404 1.291 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000520306475 448883087 /nfs/dbraw/zinc/88/30/87/448883087.db2.gz AIYXTDGYHZXUCR-INIZCTEOSA-N 1 2 331.376 1.743 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000568518550 448884170 /nfs/dbraw/zinc/88/41/70/448884170.db2.gz GYZXGCZPIMVJJV-MRXNPFEDSA-N 1 2 349.822 1.443 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000574815838 448963773 /nfs/dbraw/zinc/96/37/73/448963773.db2.gz IZIUDIYANNMNMZ-JJRVBVJISA-N 1 2 333.432 1.139 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000581709112 448984294 /nfs/dbraw/zinc/98/42/94/448984294.db2.gz UCWYJZHPBFMVOZ-MNOVXSKESA-N 1 2 332.326 1.978 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000589487573 449024457 /nfs/dbraw/zinc/02/44/57/449024457.db2.gz UYMDHLHQMSUHED-QAPCUYQASA-N 1 2 345.447 1.635 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000589487573 449024460 /nfs/dbraw/zinc/02/44/60/449024460.db2.gz UYMDHLHQMSUHED-QAPCUYQASA-N 1 2 345.447 1.635 20 30 EDEDLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595613493 449080734 /nfs/dbraw/zinc/08/07/34/449080734.db2.gz DCWWVXOUNVQLRH-LBPRGKRZSA-N 1 2 333.392 1.161 20 30 EDEDLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613493 449080738 /nfs/dbraw/zinc/08/07/38/449080738.db2.gz DCWWVXOUNVQLRH-LBPRGKRZSA-N 1 2 333.392 1.161 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NS(=O)(=O)CCCC#N ZINC000593645715 449128187 /nfs/dbraw/zinc/12/81/87/449128187.db2.gz OHPHLHSTSCDSAI-OAHLLOKOSA-N 1 2 332.429 1.927 20 30 EDEDLO CCC(C#N)(CC)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000599915055 449107878 /nfs/dbraw/zinc/10/78/78/449107878.db2.gz FABDYHBRLNYNCX-UHFFFAOYSA-N 1 2 328.420 1.975 20 30 EDEDLO N#CCCOCCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000590128222 449110370 /nfs/dbraw/zinc/11/03/70/449110370.db2.gz OTRPHVXXZXDDDE-MRXNPFEDSA-N 1 2 342.403 1.177 20 30 EDEDLO N#CCCOCCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000590128222 449110374 /nfs/dbraw/zinc/11/03/74/449110374.db2.gz OTRPHVXXZXDDDE-MRXNPFEDSA-N 1 2 342.403 1.177 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc(C#N)cc1)C(C)(C)CO ZINC000597848073 449122083 /nfs/dbraw/zinc/12/20/83/449122083.db2.gz SMWDDWZJQKHWQU-MRXNPFEDSA-N 1 2 342.399 1.547 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(NCc2ccccc2)ccn1 ZINC000593155584 449154541 /nfs/dbraw/zinc/15/45/41/449154541.db2.gz GWJDYWBRUYDQGT-IBGZPJMESA-N 1 2 337.427 1.689 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000593219701 449175652 /nfs/dbraw/zinc/17/56/52/449175652.db2.gz MVXGZQUDJYQFJT-UHFFFAOYSA-N 1 2 346.431 1.565 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000611171892 449198117 /nfs/dbraw/zinc/19/81/17/449198117.db2.gz QQPZNCPUFIRAHM-WMZOPIPTSA-N 1 2 347.484 1.694 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCSC[C@@H]1c1cnn(CC)c1 ZINC000590599406 449213754 /nfs/dbraw/zinc/21/37/54/449213754.db2.gz BZWZWJPDUOPSPT-OAHLLOKOSA-N 1 2 335.477 1.755 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCSC[C@@H]1c1cnn(CC)c1 ZINC000590599406 449213760 /nfs/dbraw/zinc/21/37/60/449213760.db2.gz BZWZWJPDUOPSPT-OAHLLOKOSA-N 1 2 335.477 1.755 20 30 EDEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601853964 449185927 /nfs/dbraw/zinc/18/59/27/449185927.db2.gz GXOYJBZRPVLFEK-JJXSEGSLSA-N 1 2 344.463 1.984 20 30 EDEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC000601853964 449185928 /nfs/dbraw/zinc/18/59/28/449185928.db2.gz GXOYJBZRPVLFEK-JJXSEGSLSA-N 1 2 344.463 1.984 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c1C#N ZINC000595823062 449187173 /nfs/dbraw/zinc/18/71/73/449187173.db2.gz FNWVZAITUTXDED-CQSZACIVSA-N 1 2 344.415 1.533 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c1C#N ZINC000595823062 449187177 /nfs/dbraw/zinc/18/71/77/449187177.db2.gz FNWVZAITUTXDED-CQSZACIVSA-N 1 2 344.415 1.533 20 30 EDEDLO N#Cc1ccc(CC(=O)N(CC[NH+]2CCOCC2)CC2CC2)cn1 ZINC000600109177 449194498 /nfs/dbraw/zinc/19/44/98/449194498.db2.gz HCEISDRJAGWACT-UHFFFAOYSA-N 1 2 328.416 1.067 20 30 EDEDLO N#CCC1C[NH+](Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)C1 ZINC000600180910 449231662 /nfs/dbraw/zinc/23/16/62/449231662.db2.gz NPNMCCDLUORKTG-UHFFFAOYSA-N 1 2 335.367 1.551 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593340509 449234256 /nfs/dbraw/zinc/23/42/56/449234256.db2.gz ZAKPOGWCCQDQKL-AWEZNQCLSA-N 1 2 327.432 1.219 20 30 EDEDLO N#Cc1cc(O)cc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000598342751 449356421 /nfs/dbraw/zinc/35/64/21/449356421.db2.gz MAYUXKRCPQBYOX-UHFFFAOYSA-N 1 2 329.400 1.448 20 30 EDEDLO N#Cc1cc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)ccc1F ZINC000598342462 449356922 /nfs/dbraw/zinc/35/69/22/449356922.db2.gz ITGJMDNULKZENG-UHFFFAOYSA-N 1 2 331.391 1.882 20 30 EDEDLO Cc1cc(N2CCN(Cc3[nH+]ccn3C)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596114826 449368964 /nfs/dbraw/zinc/36/89/64/449368964.db2.gz HOJZVALKPUQWHD-UHFFFAOYSA-N 1 2 340.387 1.831 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000602090892 449337908 /nfs/dbraw/zinc/33/79/08/449337908.db2.gz XVMWHQJMYNJHMK-ZIAGYGMSSA-N 1 2 339.374 1.873 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000602090892 449337916 /nfs/dbraw/zinc/33/79/16/449337916.db2.gz XVMWHQJMYNJHMK-ZIAGYGMSSA-N 1 2 339.374 1.873 20 30 EDEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)Cc1cc(C#N)ccc1F)CC2 ZINC000611790735 449422392 /nfs/dbraw/zinc/42/23/92/449422392.db2.gz VLPBHFAEXVLBQL-UHFFFAOYSA-N 1 2 334.376 1.548 20 30 EDEDLO N#Cc1cscc1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600682046 449489462 /nfs/dbraw/zinc/48/94/62/449489462.db2.gz JFDMIOBKBGRQMM-HNNXBMFYSA-N 1 2 342.424 1.646 20 30 EDEDLO N#Cc1cscc1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600682046 449489469 /nfs/dbraw/zinc/48/94/69/449489469.db2.gz JFDMIOBKBGRQMM-HNNXBMFYSA-N 1 2 342.424 1.646 20 30 EDEDLO COc1ccccc1-c1n[nH]c(NC(=O)[C@H]([NH3+])CCCCC#N)n1 ZINC000594464491 449533274 /nfs/dbraw/zinc/53/32/74/449533274.db2.gz PEIQCAMISQXURF-GFCCVEGCSA-N 1 2 328.376 1.830 20 30 EDEDLO CC(C)(C(=O)N1CCc2c(CC#N)cccc2C1)[NH+]1CCOCC1 ZINC000600788622 449546767 /nfs/dbraw/zinc/54/67/67/449546767.db2.gz PPNVVIPMGRWGOV-UHFFFAOYSA-N 1 2 327.428 1.748 20 30 EDEDLO N#CC[C@@H]1CC[C@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000596610987 449571777 /nfs/dbraw/zinc/57/17/77/449571777.db2.gz AVAOJJLKVFEADH-RDJZCZTQSA-N 1 2 334.464 1.823 20 30 EDEDLO N#Cc1nccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000594555643 449574519 /nfs/dbraw/zinc/57/45/19/449574519.db2.gz BEDVMPMPBIWFDL-OAHLLOKOSA-N 1 2 343.818 1.857 20 30 EDEDLO Cn1nc2c(c1C[NH+]1CCN(c3ncccc3C#N)CC1)CCCC2 ZINC000602432021 449581171 /nfs/dbraw/zinc/58/11/71/449581171.db2.gz GJNWWAHOJIDOPI-UHFFFAOYSA-N 1 2 336.443 1.888 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1[C@H](c1nccn1C)C1CC1 ZINC000602482325 449625429 /nfs/dbraw/zinc/62/54/29/449625429.db2.gz DZKVXPJBORNAID-BBRMVZONSA-N 1 2 337.431 1.744 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1[C@H](c1nccn1C)C1CC1 ZINC000602482325 449625433 /nfs/dbraw/zinc/62/54/33/449625433.db2.gz DZKVXPJBORNAID-BBRMVZONSA-N 1 2 337.431 1.744 20 30 EDEDLO C[C@@H](C#N)CNC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000601140913 449711839 /nfs/dbraw/zinc/71/18/39/449711839.db2.gz CYONBPCVBHATME-ZDUSSCGKSA-N 1 2 334.395 1.459 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601101342 449689742 /nfs/dbraw/zinc/68/97/42/449689742.db2.gz LLWXBQBBVCTKHN-GFCCVEGCSA-N 1 2 340.431 1.015 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)C[C@H](C)N1CC#N ZINC000602855294 449862799 /nfs/dbraw/zinc/86/27/99/449862799.db2.gz GBMVVTLUVZSSKU-KBPBESRZSA-N 1 2 344.415 1.314 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602865635 449874373 /nfs/dbraw/zinc/87/43/73/449874373.db2.gz UKIYUXJBRFNJGE-QLFBSQMISA-N 1 2 325.416 1.803 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602865635 449874379 /nfs/dbraw/zinc/87/43/79/449874379.db2.gz UKIYUXJBRFNJGE-QLFBSQMISA-N 1 2 325.416 1.803 20 30 EDEDLO CCN(C#N)CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000602892286 449900371 /nfs/dbraw/zinc/90/03/71/449900371.db2.gz JRFRQSTUOPMWQB-UHFFFAOYSA-N 1 2 349.442 1.873 20 30 EDEDLO N#CC1(CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CCCCC1 ZINC000595184937 449929474 /nfs/dbraw/zinc/92/94/74/449929474.db2.gz JZUPQSIFRGBZJM-UHFFFAOYSA-N 1 2 325.372 1.863 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cn1 ZINC000608908964 449949643 /nfs/dbraw/zinc/94/96/43/449949643.db2.gz GGTMJXACNKBZPU-UHFFFAOYSA-N 1 2 326.341 1.335 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(CCO)(CCO)CC1 ZINC000602966502 449968852 /nfs/dbraw/zinc/96/88/52/449968852.db2.gz HOZDUWUXSFBADU-UHFFFAOYSA-N 1 2 337.445 1.405 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@H](C#N)C1)c1ccccc1 ZINC000609282043 449997323 /nfs/dbraw/zinc/99/73/23/449997323.db2.gz RJVJCZAVTOWVSE-HUUCEWRRSA-N 1 2 325.372 1.443 20 30 EDEDLO Cc1ccc2[nH+]c(CNC(=O)NC3CCN(CC#N)CC3)cn2c1 ZINC000609336364 450012503 /nfs/dbraw/zinc/01/25/03/450012503.db2.gz GSRFNRKWEWBMES-UHFFFAOYSA-N 1 2 326.404 1.430 20 30 EDEDLO N#CCCN1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000601554847 450069849 /nfs/dbraw/zinc/06/98/49/450069849.db2.gz VSZUHLBICJNNDW-UHFFFAOYSA-N 1 2 330.436 1.003 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000609484922 450034876 /nfs/dbraw/zinc/03/48/76/450034876.db2.gz GXGJSBWMBMQFFI-OKZBNKHCSA-N 1 2 348.491 1.322 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599532515 450045492 /nfs/dbraw/zinc/04/54/92/450045492.db2.gz LIUWHRIZONCQMF-BPNCWPANSA-N 1 2 349.456 1.253 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2cc(C)c(C#N)cn2)CC1 ZINC000603111745 450074379 /nfs/dbraw/zinc/07/43/79/450074379.db2.gz DILQOYBQDVYQMY-UHFFFAOYSA-N 1 2 336.399 2.319 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3nc(N)n[nH]3)CC2)c(C#N)c1C ZINC000595488293 450179726 /nfs/dbraw/zinc/17/97/26/450179726.db2.gz KLKRMVLBJVRWBS-UHFFFAOYSA-N 1 2 343.391 1.287 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599679963 450147253 /nfs/dbraw/zinc/14/72/53/450147253.db2.gz OGRHFVAAXSVATO-RHSMWYFYSA-N 1 2 343.427 1.767 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599679963 450147259 /nfs/dbraw/zinc/14/72/59/450147259.db2.gz OGRHFVAAXSVATO-RHSMWYFYSA-N 1 2 343.427 1.767 20 30 EDEDLO CCN(C(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1)[C@H](C)C#N ZINC000601671284 450157641 /nfs/dbraw/zinc/15/76/41/450157641.db2.gz RWLSGFJAJFXKJL-CQSZACIVSA-N 1 2 348.422 1.944 20 30 EDEDLO COc1ccc(C[NH2+]Cc2nnnn2C2CC2)cc1OCCCC#N ZINC000610272355 450178449 /nfs/dbraw/zinc/17/84/49/450178449.db2.gz VDHAXKPSGDXCDL-UHFFFAOYSA-N 1 2 342.403 1.989 20 30 EDEDLO C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H](C)O1 ZINC000601644393 450136742 /nfs/dbraw/zinc/13/67/42/450136742.db2.gz KFGMIWZFVBFNHA-RVKKMQEKSA-N 1 2 342.443 1.951 20 30 EDEDLO C[N@H+](Cc1n[nH]c(=O)o1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595545943 450222179 /nfs/dbraw/zinc/22/21/79/450222179.db2.gz BLCKLVNUFSXJAS-ZDUSSCGKSA-N 1 2 327.344 1.274 20 30 EDEDLO C[N@@H+](Cc1n[nH]c(=O)o1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595545943 450222182 /nfs/dbraw/zinc/22/21/82/450222182.db2.gz BLCKLVNUFSXJAS-ZDUSSCGKSA-N 1 2 327.344 1.274 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000610561412 450261610 /nfs/dbraw/zinc/26/16/10/450261610.db2.gz VJMLVHQOROVOOF-UHFFFAOYSA-N 1 2 339.403 1.999 20 30 EDEDLO N#Cc1ccsc1C(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000603410589 450287287 /nfs/dbraw/zinc/28/72/87/450287287.db2.gz WEXGIAPLXGYQCH-HNNXBMFYSA-N 1 2 348.472 1.146 20 30 EDEDLO C=C[C@H](NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1)C(=O)OC ZINC000619701595 450311354 /nfs/dbraw/zinc/31/13/54/450311354.db2.gz OKYOERFUVVHCKE-INIZCTEOSA-N 1 2 337.464 1.028 20 30 EDEDLO CN1CCO[C@H]2C[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]21 ZINC000610899352 450373016 /nfs/dbraw/zinc/37/30/16/450373016.db2.gz MEZIWNRTGUZTDJ-CABCVRRESA-N 1 2 325.372 1.123 20 30 EDEDLO CN1CCO[C@H]2C[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]21 ZINC000610899352 450373019 /nfs/dbraw/zinc/37/30/19/450373019.db2.gz MEZIWNRTGUZTDJ-CABCVRRESA-N 1 2 325.372 1.123 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]21 ZINC000610899352 450373024 /nfs/dbraw/zinc/37/30/24/450373024.db2.gz MEZIWNRTGUZTDJ-CABCVRRESA-N 1 2 325.372 1.123 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]21 ZINC000610899352 450373029 /nfs/dbraw/zinc/37/30/29/450373029.db2.gz MEZIWNRTGUZTDJ-CABCVRRESA-N 1 2 325.372 1.123 20 30 EDEDLO C=CCCCN(C)C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000625724553 450487991 /nfs/dbraw/zinc/48/79/91/450487991.db2.gz JMVPTPDRYQJGEW-GJZGRUSLSA-N 1 2 334.420 1.133 20 30 EDEDLO N#CCc1cccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000619493144 450490032 /nfs/dbraw/zinc/49/00/32/450490032.db2.gz GSJKBIJMAKZQCS-OAHLLOKOSA-N 1 2 342.424 1.705 20 30 EDEDLO C=C(C)CN(CC)C(=O)Cn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000640792718 451585957 /nfs/dbraw/zinc/58/59/57/451585957.db2.gz WEYIMPQNKRKVBW-UHFFFAOYSA-N 1 2 335.452 1.314 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)nn1 ZINC000640852219 451637803 /nfs/dbraw/zinc/63/78/03/451637803.db2.gz QZDUGPSSZWGHEV-CVEARBPZSA-N 1 2 339.443 1.872 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NCc2ccc(F)cc2)nn1 ZINC000640885616 451672426 /nfs/dbraw/zinc/67/24/26/451672426.db2.gz CPKIZHGOJUKONA-CYBMUJFWSA-N 1 2 329.379 1.408 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCc2ccccc2OC)nn1 ZINC000640887311 451673668 /nfs/dbraw/zinc/67/36/68/451673668.db2.gz NBCNJPJEOOKVGO-AWEZNQCLSA-N 1 2 341.415 1.277 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](CC)C(=O)Nc2ccc(OC)cc2)nn1 ZINC000640893977 451677820 /nfs/dbraw/zinc/67/78/20/451677820.db2.gz UKTLKVVKSWHBRS-QGZVFWFLSA-N 1 2 341.415 1.989 20 30 EDEDLO C=C(C)[C@@H](CO)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000649481008 452103749 /nfs/dbraw/zinc/10/37/49/452103749.db2.gz GFADGOVIHDEVMO-CVEARBPZSA-N 1 2 329.404 1.356 20 30 EDEDLO C=C(C)[C@@H](CO)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000649481008 452103752 /nfs/dbraw/zinc/10/37/52/452103752.db2.gz GFADGOVIHDEVMO-CVEARBPZSA-N 1 2 329.404 1.356 20 30 EDEDLO C=CCOCCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000645028875 452122334 /nfs/dbraw/zinc/12/23/34/452122334.db2.gz UDRMGOYAFSXPHL-MRXNPFEDSA-N 1 2 329.404 1.449 20 30 EDEDLO C=CCOCCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000645028875 452122337 /nfs/dbraw/zinc/12/23/37/452122337.db2.gz UDRMGOYAFSXPHL-MRXNPFEDSA-N 1 2 329.404 1.449 20 30 EDEDLO C=CCCn1cc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)nn1 ZINC000657466250 452266632 /nfs/dbraw/zinc/26/66/32/452266632.db2.gz SIIPYYUNVLDZLA-CYBMUJFWSA-N 1 2 333.358 1.207 20 30 EDEDLO C=CCCCCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000654664627 452777905 /nfs/dbraw/zinc/77/79/05/452777905.db2.gz HERUPRFTCAOXSH-UHFFFAOYSA-N 1 2 336.480 1.682 20 30 EDEDLO C=CCn1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)nn1 ZINC000648221190 452921748 /nfs/dbraw/zinc/92/17/48/452921748.db2.gz DVRDVJPIEFEUFA-UHFFFAOYSA-N 1 2 341.415 1.301 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1 ZINC000648845787 453325305 /nfs/dbraw/zinc/32/53/05/453325305.db2.gz RHKWACPBDJBIGX-HOCLYGCPSA-N 1 2 347.369 1.918 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1 ZINC000648845787 453325311 /nfs/dbraw/zinc/32/53/11/453325311.db2.gz RHKWACPBDJBIGX-HOCLYGCPSA-N 1 2 347.369 1.918 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000667112794 453412003 /nfs/dbraw/zinc/41/20/03/453412003.db2.gz QUNYCTONBMQDSL-GOSISDBHSA-N 1 2 345.443 1.928 20 30 EDEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@H](C)COC ZINC000661241853 453771921 /nfs/dbraw/zinc/77/19/21/453771921.db2.gz CSOJTRMLRUSOPC-CQSZACIVSA-N 1 2 333.432 1.850 20 30 EDEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@H](C)COC ZINC000661241853 453771924 /nfs/dbraw/zinc/77/19/24/453771924.db2.gz CSOJTRMLRUSOPC-CQSZACIVSA-N 1 2 333.432 1.850 20 30 EDEDLO N#Cc1cc(O)cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000614300391 486654185 /nfs/dbraw/zinc/65/41/85/486654185.db2.gz GTIQWYLSUCKFIK-INIZCTEOSA-N 1 2 329.400 1.591 20 30 EDEDLO COCC#CC[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000678538964 487329601 /nfs/dbraw/zinc/32/96/01/487329601.db2.gz WMBGUTMESUFOHL-ZDUSSCGKSA-N 1 2 325.206 1.557 20 30 EDEDLO COCC#CC[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000678538964 487329604 /nfs/dbraw/zinc/32/96/04/487329604.db2.gz WMBGUTMESUFOHL-ZDUSSCGKSA-N 1 2 325.206 1.557 20 30 EDEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000586785132 486159601 /nfs/dbraw/zinc/15/96/01/486159601.db2.gz WLNCWYLUOWJPFL-GJZGRUSLSA-N 1 2 340.370 1.848 20 30 EDEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000586785132 486159606 /nfs/dbraw/zinc/15/96/06/486159606.db2.gz WLNCWYLUOWJPFL-GJZGRUSLSA-N 1 2 340.370 1.848 20 30 EDEDLO C=CCOc1ccc(CC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000449870239 486162042 /nfs/dbraw/zinc/16/20/42/486162042.db2.gz MINBCLYMLAQFRV-GOSISDBHSA-N 1 2 330.428 1.773 20 30 EDEDLO C=CCOc1ccc(CC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000449870239 486162047 /nfs/dbraw/zinc/16/20/47/486162047.db2.gz MINBCLYMLAQFRV-GOSISDBHSA-N 1 2 330.428 1.773 20 30 EDEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000669933897 486518797 /nfs/dbraw/zinc/51/87/97/486518797.db2.gz SUXINWXWBJBNBY-FUHWJXTLSA-N 1 2 344.411 1.172 20 30 EDEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000669933897 486518802 /nfs/dbraw/zinc/51/88/02/486518802.db2.gz SUXINWXWBJBNBY-FUHWJXTLSA-N 1 2 344.411 1.172 20 30 EDEDLO Cc1cc(N2CC[C@H](O[NH+]=C(N)c3ccc(Cl)cc3)C2=O)n(C)n1 ZINC000742353047 579449510 /nfs/dbraw/zinc/44/95/10/579449510.db2.gz MLYCIYXWIOJEPD-ZDUSSCGKSA-N 1 2 347.806 1.824 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)[C@@H]2CCNC2=O)cc1 ZINC000759434432 580005749 /nfs/dbraw/zinc/00/57/49/580005749.db2.gz AMMJELMPHVCILH-GOEBONIOSA-N 1 2 328.416 1.451 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCNC2=O)cc1 ZINC000759434432 580005750 /nfs/dbraw/zinc/00/57/50/580005750.db2.gz AMMJELMPHVCILH-GOEBONIOSA-N 1 2 328.416 1.451 20 30 EDEDLO COC(C[N@H+](CCCO)Cc1nnc(-c2cccc(C#N)c2)o1)OC ZINC000759868925 580017476 /nfs/dbraw/zinc/01/74/76/580017476.db2.gz GTGWBRRVJBADNB-UHFFFAOYSA-N 1 2 346.387 1.412 20 30 EDEDLO COC(C[N@@H+](CCCO)Cc1nnc(-c2cccc(C#N)c2)o1)OC ZINC000759868925 580017477 /nfs/dbraw/zinc/01/74/77/580017477.db2.gz GTGWBRRVJBADNB-UHFFFAOYSA-N 1 2 346.387 1.412 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000760008127 580021440 /nfs/dbraw/zinc/02/14/40/580021440.db2.gz QOLRVWYBIMCWEQ-AWEZNQCLSA-N 1 2 326.425 1.919 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000760008127 580021441 /nfs/dbraw/zinc/02/14/41/580021441.db2.gz QOLRVWYBIMCWEQ-AWEZNQCLSA-N 1 2 326.425 1.919 20 30 EDEDLO Cc1ccc2c(c1)C(=NNC(=S)NCC[NH+]1CCOCC1)CC2 ZINC000730946395 578664555 /nfs/dbraw/zinc/66/45/55/578664555.db2.gz SXTJKUJQDMYEPT-UHFFFAOYSA-N 1 2 332.473 1.442 20 30 EDEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]OC[C@@H]1CCOC1 ZINC000788034350 578673917 /nfs/dbraw/zinc/67/39/17/578673917.db2.gz PZAJUNAELRJIOH-GFCCVEGCSA-N 1 2 326.356 1.871 20 30 EDEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000735310756 578875182 /nfs/dbraw/zinc/87/51/82/578875182.db2.gz FAWBECYBBZOXCJ-ZDUSSCGKSA-N 1 2 343.836 1.495 20 30 EDEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000735310756 578875183 /nfs/dbraw/zinc/87/51/83/578875183.db2.gz FAWBECYBBZOXCJ-ZDUSSCGKSA-N 1 2 343.836 1.495 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCC[C@@H](OC(=O)Cc2ccccc2CC#N)C1 ZINC000761108701 580048346 /nfs/dbraw/zinc/04/83/46/580048346.db2.gz JIBUKYNAXLAPTG-QGZVFWFLSA-N 1 2 344.411 1.866 20 30 EDEDLO CCOC(=O)C[N@H+]1CCC[C@@H](OC(=O)Cc2ccccc2CC#N)C1 ZINC000761108701 580048347 /nfs/dbraw/zinc/04/83/47/580048347.db2.gz JIBUKYNAXLAPTG-QGZVFWFLSA-N 1 2 344.411 1.866 20 30 EDEDLO C=CCN1CC(=O)N(C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1=O ZINC000761129633 580049314 /nfs/dbraw/zinc/04/93/14/580049314.db2.gz WGUPTIBGAVGCLF-QGZVFWFLSA-N 1 2 343.427 1.819 20 30 EDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NCc1ccc(C#N)cc1 ZINC000745088573 579537943 /nfs/dbraw/zinc/53/79/43/579537943.db2.gz WQEYGWPPBMCUPZ-INIZCTEOSA-N 1 2 329.400 1.592 20 30 EDEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NCc1ccc(C#N)cc1 ZINC000745088573 579537944 /nfs/dbraw/zinc/53/79/44/579537944.db2.gz WQEYGWPPBMCUPZ-INIZCTEOSA-N 1 2 329.400 1.592 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)Cc3ccccc3CC#N)CC2)S1 ZINC000777405068 580440954 /nfs/dbraw/zinc/44/09/54/580440954.db2.gz OGZQCLKRCBJWKQ-AWEZNQCLSA-N 1 2 342.468 1.931 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](CC)Cc2ccccc2Cl)CC1 ZINC000748816253 579701423 /nfs/dbraw/zinc/70/14/23/579701423.db2.gz QVYVQQRLXMTZBM-UHFFFAOYSA-N 1 2 333.863 1.939 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](CC)Cc2ccccc2Cl)CC1 ZINC000748816253 579701424 /nfs/dbraw/zinc/70/14/24/579701424.db2.gz QVYVQQRLXMTZBM-UHFFFAOYSA-N 1 2 333.863 1.939 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(C)ccc3cccnc32)CC1 ZINC000777977411 580454053 /nfs/dbraw/zinc/45/40/53/580454053.db2.gz ZLIZFMHNRHWVAW-UHFFFAOYSA-N 1 2 343.452 1.873 20 30 EDEDLO Fc1ccc(Cl)cc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000753688666 579885065 /nfs/dbraw/zinc/88/50/65/579885065.db2.gz FWCSETGHUXYVMG-UHFFFAOYSA-N 1 2 344.843 1.609 20 30 EDEDLO Oc1c(F)cccc1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000755520307 579928522 /nfs/dbraw/zinc/92/85/22/579928522.db2.gz BEXKHOBEAWMVSC-UHFFFAOYSA-N 1 2 340.424 1.052 20 30 EDEDLO N#Cc1cccn(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1=O ZINC000758198800 579976658 /nfs/dbraw/zinc/97/66/58/579976658.db2.gz XNXLNNGBLTVKID-UHFFFAOYSA-N 1 2 328.416 1.402 20 30 EDEDLO CCc1cccc2c1NC(=O)C2=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761837491 580062540 /nfs/dbraw/zinc/06/25/40/580062540.db2.gz FSVOSYAYCSJBQG-UHFFFAOYSA-N 1 2 333.355 1.993 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)OCCn2cc[nH+]c2)cc1 ZINC000763110938 580093164 /nfs/dbraw/zinc/09/31/64/580093164.db2.gz BQRYKRIRSRZCFD-UHFFFAOYSA-N 1 2 335.385 1.204 20 30 EDEDLO C#CCSc1nnc([C@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000764453789 580120495 /nfs/dbraw/zinc/12/04/95/580120495.db2.gz LDGCQBOFJLWFOI-AWEZNQCLSA-N 1 2 337.493 1.348 20 30 EDEDLO CC(C)c1nc(N(C)C)nc(NCCNc2ncccc2C#N)[nH+]1 ZINC000767207969 580183807 /nfs/dbraw/zinc/18/38/07/580183807.db2.gz GHASGOJDEKAZBJ-UHFFFAOYSA-N 1 2 326.408 1.852 20 30 EDEDLO CC(C)c1nc(NCCNc2ncccc2C#N)nc(N(C)C)[nH+]1 ZINC000767207969 580183808 /nfs/dbraw/zinc/18/38/08/580183808.db2.gz GHASGOJDEKAZBJ-UHFFFAOYSA-N 1 2 326.408 1.852 20 30 EDEDLO N#C[C@H](C(=O)C[N@H+]1CCC[C@@H]1CCO)c1nc2ccccc2c(=O)[nH]1 ZINC000778273138 580460563 /nfs/dbraw/zinc/46/05/63/580460563.db2.gz WAWKTODNDPJTRP-TZMCWYRMSA-N 1 2 340.383 1.358 20 30 EDEDLO N#C[C@H](C(=O)C[N@@H+]1CCC[C@@H]1CCO)c1nc2ccccc2c(=O)[nH]1 ZINC000778273138 580460564 /nfs/dbraw/zinc/46/05/64/580460564.db2.gz WAWKTODNDPJTRP-TZMCWYRMSA-N 1 2 340.383 1.358 20 30 EDEDLO C[N@H+](CC(=O)OCC(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCSC1 ZINC000772051577 580301988 /nfs/dbraw/zinc/30/19/88/580301988.db2.gz UTYAAFQRPSJHPR-OAHLLOKOSA-N 1 2 347.440 1.672 20 30 EDEDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccc(CC#N)cc1)[C@@H]1CCSC1 ZINC000772051577 580301989 /nfs/dbraw/zinc/30/19/89/580301989.db2.gz UTYAAFQRPSJHPR-OAHLLOKOSA-N 1 2 347.440 1.672 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000775996346 580405999 /nfs/dbraw/zinc/40/59/99/580405999.db2.gz FOXBVWQHPJGJKZ-IRXDYDNUSA-N 1 2 332.404 1.794 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000778302620 580461407 /nfs/dbraw/zinc/46/14/07/580461407.db2.gz FYXJSLVXVJOWAU-UHFFFAOYSA-N 1 2 348.353 1.512 20 30 EDEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779794460 580497460 /nfs/dbraw/zinc/49/74/60/580497460.db2.gz HZWABJIYMKOHJC-JTQLQIEISA-N 1 2 347.382 1.232 20 30 EDEDLO C[NH+](C)[C@@H](C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000780087714 580512356 /nfs/dbraw/zinc/51/23/56/580512356.db2.gz DWKZXDGJCJZQJX-IAGOWNOFSA-N 1 2 337.379 1.931 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)nc1 ZINC000780649832 580530152 /nfs/dbraw/zinc/53/01/52/580530152.db2.gz XUGJALJYXDTYAG-UHFFFAOYSA-N 1 2 336.399 1.376 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000780927223 580537791 /nfs/dbraw/zinc/53/77/91/580537791.db2.gz GJKPPCXHIWRCNT-ZDUSSCGKSA-N 1 2 338.289 1.667 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000781097319 580542098 /nfs/dbraw/zinc/54/20/98/580542098.db2.gz GYDFHSQCRRRRIJ-HZPDHXFCSA-N 1 2 343.468 1.109 20 30 EDEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000781571439 580552650 /nfs/dbraw/zinc/55/26/50/580552650.db2.gz KTJWOAPOAMSVPY-OAHLLOKOSA-N 1 2 346.456 1.719 20 30 EDEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000781571439 580552651 /nfs/dbraw/zinc/55/26/51/580552651.db2.gz KTJWOAPOAMSVPY-OAHLLOKOSA-N 1 2 346.456 1.719 20 30 EDEDLO Nc1ncc(C=[NH+]Nc2nc(-c3ccccn3)nc3c2CCC3)cn1 ZINC000781592888 580553022 /nfs/dbraw/zinc/55/30/22/580553022.db2.gz MJQUTWIYRKOKGR-UHFFFAOYSA-N 1 2 332.371 1.846 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000785985652 580657647 /nfs/dbraw/zinc/65/76/47/580657647.db2.gz POZSQHRJWYZCCW-UHFFFAOYSA-N 1 2 342.848 1.605 20 30 EDEDLO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000789519653 580748361 /nfs/dbraw/zinc/74/83/61/580748361.db2.gz MIZYRKLPLLMKGP-GFCCVEGCSA-N 1 2 336.465 1.355 20 30 EDEDLO CCNC(=O)C[C@H]1CCCC[N@H+]1Cn1nc(CC#N)n(C)c1=S ZINC000789519653 580748362 /nfs/dbraw/zinc/74/83/62/580748362.db2.gz MIZYRKLPLLMKGP-GFCCVEGCSA-N 1 2 336.465 1.355 20 30 EDEDLO CCn1cc(C[N@H+](C)Cn2cc3c(c(C#N)c2=O)CCCC3)cn1 ZINC000793498867 580846007 /nfs/dbraw/zinc/84/60/07/580846007.db2.gz ODAXLOGHJVDDJP-UHFFFAOYSA-N 1 2 325.416 1.905 20 30 EDEDLO CCn1cc(C[N@@H+](C)Cn2cc3c(c(C#N)c2=O)CCCC3)cn1 ZINC000793498867 580846008 /nfs/dbraw/zinc/84/60/08/580846008.db2.gz ODAXLOGHJVDDJP-UHFFFAOYSA-N 1 2 325.416 1.905 20 30 EDEDLO COC(=O)[C@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@@H]1C ZINC000793515265 580846786 /nfs/dbraw/zinc/84/67/86/580846786.db2.gz IQAVOTBPGHMMSG-OCCSQVGLSA-N 1 2 329.400 1.440 20 30 EDEDLO COC(=O)[C@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@@H]1C ZINC000793515265 580846787 /nfs/dbraw/zinc/84/67/87/580846787.db2.gz IQAVOTBPGHMMSG-OCCSQVGLSA-N 1 2 329.400 1.440 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000793554119 580847644 /nfs/dbraw/zinc/84/76/44/580847644.db2.gz SSGNBBHDBPSYHB-MZNJEOGPSA-N 1 2 347.484 1.597 20 30 EDEDLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000793592889 580848565 /nfs/dbraw/zinc/84/85/65/580848565.db2.gz UOUQGKMLWOVUOW-KDOFPFPSSA-N 1 2 342.399 1.539 20 30 EDEDLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000793592889 580848566 /nfs/dbraw/zinc/84/85/66/580848566.db2.gz UOUQGKMLWOVUOW-KDOFPFPSSA-N 1 2 342.399 1.539 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(N2C(=O)CNC2=O)c1 ZINC000794264911 580884026 /nfs/dbraw/zinc/88/40/26/580884026.db2.gz HRZKLUNQFSZRAV-AWEZNQCLSA-N 1 2 340.383 1.087 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(N2C(=O)CNC2=O)c1 ZINC000794264911 580884027 /nfs/dbraw/zinc/88/40/27/580884027.db2.gz HRZKLUNQFSZRAV-AWEZNQCLSA-N 1 2 340.383 1.087 20 30 EDEDLO Cc1nc(C#N)c(N2CCC(C(=O)OCCn3cc[nH+]c3)CC2)o1 ZINC000796280662 580949968 /nfs/dbraw/zinc/94/99/68/580949968.db2.gz QKCPOGMOIHQTOT-UHFFFAOYSA-N 1 2 329.360 1.511 20 30 EDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000796636733 580958684 /nfs/dbraw/zinc/95/86/84/580958684.db2.gz QKJRPHKGLHAXPB-JTQLQIEISA-N 1 2 332.310 1.610 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)nn2C)C1=O ZINC000798956634 581012398 /nfs/dbraw/zinc/01/23/98/581012398.db2.gz HHNSUMKGJJVJPA-NSHDSACASA-N 1 2 327.226 1.401 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)nn2C)C1=O ZINC000798956634 581012399 /nfs/dbraw/zinc/01/23/99/581012399.db2.gz HHNSUMKGJJVJPA-NSHDSACASA-N 1 2 327.226 1.401 20 30 EDEDLO Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1C#N ZINC000799690680 581034267 /nfs/dbraw/zinc/03/42/67/581034267.db2.gz UNEXRBJRHDSEJX-SFHVURJKSA-N 1 2 343.427 1.430 20 30 EDEDLO CCN(C1CC[NH+](Cc2csc(C#N)c2)CC1)S(C)(=O)=O ZINC000892013093 590744611 /nfs/dbraw/zinc/74/46/11/590744611.db2.gz IBBMCJTWLQXZCQ-UHFFFAOYSA-N 1 2 327.475 1.866 20 30 EDEDLO Cc1nn(C)c(N2CCN(c3cccc([C@@H](C)O)[nH+]3)CC2)c1C#N ZINC000893428606 590864005 /nfs/dbraw/zinc/86/40/05/590864005.db2.gz VFVOXDYXLLHEAT-CYBMUJFWSA-N 1 2 326.404 1.375 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1c2c(nn1C)CCC2 ZINC000892223543 590872158 /nfs/dbraw/zinc/87/21/58/590872158.db2.gz JKGCCAAQRNHESO-ZDUSSCGKSA-N 1 2 337.431 1.281 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1c2c(nn1C)CCC2 ZINC000892223543 590872162 /nfs/dbraw/zinc/87/21/62/590872162.db2.gz JKGCCAAQRNHESO-ZDUSSCGKSA-N 1 2 337.431 1.281 20 30 EDEDLO C#CCNC(=O)CN1CCN(c2cc(C3CC3)[nH+]c(C3CC3)n2)CC1 ZINC000892323249 590945216 /nfs/dbraw/zinc/94/52/16/590945216.db2.gz XNFDTNLHZJOIOB-UHFFFAOYSA-N 1 2 339.443 1.103 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)C1 ZINC000891607751 591146122 /nfs/dbraw/zinc/14/61/22/591146122.db2.gz UTVWYKHFKBUFJM-MRXNPFEDSA-N 1 2 341.411 1.164 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)C1 ZINC000891607751 591146125 /nfs/dbraw/zinc/14/61/25/591146125.db2.gz UTVWYKHFKBUFJM-MRXNPFEDSA-N 1 2 341.411 1.164 20 30 EDEDLO C[C@@H](NC(=O)N(C)Cc1cc(C#N)cs1)[C@H](C)[NH+]1CCOCC1 ZINC000892840199 591199678 /nfs/dbraw/zinc/19/96/78/591199678.db2.gz ZDEWGHZBZMEMLD-OLZOCXBDSA-N 1 2 336.461 1.870 20 30 EDEDLO C=CCCCN(CC)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892930339 591228964 /nfs/dbraw/zinc/22/89/64/591228964.db2.gz SSHUYBCAWWCQEK-UHFFFAOYSA-N 1 2 345.509 1.493 20 30 EDEDLO CN(Cc1cc(C#N)cs1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000894451455 591315407 /nfs/dbraw/zinc/31/54/07/591315407.db2.gz CYIXZYLRXVZHAB-UHFFFAOYSA-N 1 2 334.445 1.626 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1C#N ZINC000898489854 591374466 /nfs/dbraw/zinc/37/44/66/591374466.db2.gz OTXZZVDGEVQGRY-NSHDSACASA-N 1 2 338.408 1.544 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1C#N ZINC000898489854 591374473 /nfs/dbraw/zinc/37/44/73/591374473.db2.gz OTXZZVDGEVQGRY-NSHDSACASA-N 1 2 338.408 1.544 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2[nH]c3ccccc3c2C#N)CC1 ZINC000896207140 591384738 /nfs/dbraw/zinc/38/47/38/591384738.db2.gz UIYTZCSVEPJRKA-UHFFFAOYSA-N 1 2 348.410 1.731 20 30 EDEDLO C=CCc1cc(C(=O)N[C@H](CO)c2c[nH+]cn2C)cc(OC)c1OC ZINC000898882634 591584403 /nfs/dbraw/zinc/58/44/03/591584403.db2.gz ZDIZFFAOZLZOIL-CQSZACIVSA-N 1 2 345.399 1.629 20 30 EDEDLO COc1ccc(C[NH2+][C@H]2CCCN(O)C2=O)c(Br)c1O ZINC000895162426 591627732 /nfs/dbraw/zinc/62/77/32/591627732.db2.gz ZHWPDUASVYUKOH-VIFPVBQESA-N 1 2 345.193 1.633 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000896894066 591659798 /nfs/dbraw/zinc/65/97/98/591659798.db2.gz GOAWLIGUXXKMBN-KGLIPLIRSA-N 1 2 337.445 1.235 20 30 EDEDLO CN(Cc1cc(C#N)cs1)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000896923899 591683834 /nfs/dbraw/zinc/68/38/34/591683834.db2.gz MSARRNSFGKAOHC-UHFFFAOYSA-N 1 2 342.428 1.325 20 30 EDEDLO CN(Cc1cc(C#N)cs1)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000896923899 591683837 /nfs/dbraw/zinc/68/38/37/591683837.db2.gz MSARRNSFGKAOHC-UHFFFAOYSA-N 1 2 342.428 1.325 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c[nH+]1 ZINC000897824174 591684009 /nfs/dbraw/zinc/68/40/09/591684009.db2.gz WPJKYCVAJVDPKX-HNNXBMFYSA-N 1 2 339.399 1.873 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2c(n1)CCCN2 ZINC000895398871 591744844 /nfs/dbraw/zinc/74/48/44/591744844.db2.gz VCKOZLCSCDCUJJ-UHFFFAOYSA-N 1 2 343.431 1.128 20 30 EDEDLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2nnc(CC)s2)C1 ZINC000021264460 591853634 /nfs/dbraw/zinc/85/36/34/591853634.db2.gz BRKMOJJWDNNBCR-JTQLQIEISA-N 1 2 326.422 1.964 20 30 EDEDLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2nnc(CC)s2)C1 ZINC000021264460 591853636 /nfs/dbraw/zinc/85/36/36/591853636.db2.gz BRKMOJJWDNNBCR-JTQLQIEISA-N 1 2 326.422 1.964 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@]2(CCCOC2)C1=O ZINC000902086937 591915658 /nfs/dbraw/zinc/91/56/58/591915658.db2.gz YVMISKPUMNZDLK-IBGZPJMESA-N 1 2 343.427 1.603 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@]2(CCCOC2)C1=O ZINC000902086937 591915661 /nfs/dbraw/zinc/91/56/61/591915661.db2.gz YVMISKPUMNZDLK-IBGZPJMESA-N 1 2 343.427 1.603 20 30 EDEDLO COc1cc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)on1 ZINC000902226587 591949599 /nfs/dbraw/zinc/94/95/99/591949599.db2.gz QFZVEBGUPAQLCJ-UHFFFAOYSA-N 1 2 346.387 1.353 20 30 EDEDLO CN(C)c1ccc(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)c[nH+]1 ZINC000902234519 591952065 /nfs/dbraw/zinc/95/20/65/591952065.db2.gz HMHYUYPJJAGGOC-IBGZPJMESA-N 1 2 349.394 1.986 20 30 EDEDLO O=C1N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)CCC12CCOCC2 ZINC000902599564 592022477 /nfs/dbraw/zinc/02/24/77/592022477.db2.gz FTMVBQXFYMNVEQ-UHFFFAOYSA-N 1 2 334.416 1.311 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000900482463 592030734 /nfs/dbraw/zinc/03/07/34/592030734.db2.gz DGPSILHZLIFLLH-CMDGGOBGSA-N 1 2 330.428 1.961 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000900482463 592030737 /nfs/dbraw/zinc/03/07/37/592030737.db2.gz DGPSILHZLIFLLH-CMDGGOBGSA-N 1 2 330.428 1.961 20 30 EDEDLO CS(C)(=O)=NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000902726851 592053248 /nfs/dbraw/zinc/05/32/48/592053248.db2.gz FCPXDAQSEPTCMU-UHFFFAOYSA-N 1 2 348.222 1.340 20 30 EDEDLO NC(=[NH+]OCCO[C@H]1CCOC1)c1ccc(Br)cc1 ZINC000902726909 592053266 /nfs/dbraw/zinc/05/32/66/592053266.db2.gz JLTJKLAGQJSVMM-LBPRGKRZSA-N 1 2 329.194 1.892 20 30 EDEDLO CC#CCNC(=O)c1ccc(NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000901254759 592313768 /nfs/dbraw/zinc/31/37/68/592313768.db2.gz ACAPHZHNZZWUCO-UHFFFAOYSA-N 1 2 335.835 1.837 20 30 EDEDLO C[C@@H]1CN(C(=O)[C@@]2(C#N)CC3CCC2CC3)C[C@@H]1[NH+]1CCOCC1 ZINC000906845662 592368678 /nfs/dbraw/zinc/36/86/78/592368678.db2.gz XUHUVFRZHMGPSU-BDATZHSQSA-N 1 2 331.460 1.886 20 30 EDEDLO COC(=O)N1C/C(=C\c2cncn2C)C(=O)/C(=C/c2c[nH+]cn2C)C1 ZINC000901462197 592370210 /nfs/dbraw/zinc/37/02/10/592370210.db2.gz RTHRQMKWNSSPBO-QGVJZHQLSA-N 1 2 341.371 1.272 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CS[C@@H](COC)c2ccccc2)CC1 ZINC000901665419 592433329 /nfs/dbraw/zinc/43/33/29/592433329.db2.gz VTAGMKIDYMJXEO-KRWDZBQOSA-N 1 2 332.469 1.885 20 30 EDEDLO CC(=NNC1CCS(=O)(=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000905458545 592541132 /nfs/dbraw/zinc/54/11/32/592541132.db2.gz JWIOLDMCKNCEEG-UHFFFAOYSA-N 1 2 332.429 1.763 20 30 EDEDLO C=CCNC(=O)CN1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000905526659 592561512 /nfs/dbraw/zinc/56/15/12/592561512.db2.gz PZDKWNDAURVVFG-UHFFFAOYSA-N 1 2 330.432 1.067 20 30 EDEDLO N#Cc1sccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000905606372 592576741 /nfs/dbraw/zinc/57/67/41/592576741.db2.gz XCKDCDOQOZMUSV-UHFFFAOYSA-N 1 2 328.397 1.781 20 30 EDEDLO Cc1ccn(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)c(=O)c1C#N ZINC000905710020 592619685 /nfs/dbraw/zinc/61/96/85/592619685.db2.gz FXKNJDVPQVOPJG-QGZVFWFLSA-N 1 2 330.388 1.196 20 30 EDEDLO CCOc1ccc(C[NH+]2CCN(CC(=O)NCCC#N)CC2)cc1 ZINC000027568791 592636966 /nfs/dbraw/zinc/63/69/66/592636966.db2.gz ZOESNYSYXYPMAV-UHFFFAOYSA-N 1 2 330.432 1.233 20 30 EDEDLO N#Cc1ccnc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000909026577 592718264 /nfs/dbraw/zinc/71/82/64/592718264.db2.gz FUUUXZSAYDHUMI-SFHVURJKSA-N 1 2 337.379 1.897 20 30 EDEDLO N#Cc1ccnc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000909026577 592718265 /nfs/dbraw/zinc/71/82/65/592718265.db2.gz FUUUXZSAYDHUMI-SFHVURJKSA-N 1 2 337.379 1.897 20 30 EDEDLO N#Cc1ccc(CN2CC[C@@H](NC(=O)CNc3cccc[nH+]3)C2=O)cc1 ZINC000907722517 592770711 /nfs/dbraw/zinc/77/07/11/592770711.db2.gz QQHXEYMAMICTKU-MRXNPFEDSA-N 1 2 349.394 1.282 20 30 EDEDLO C#CCOc1cccc(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000731124902 592921627 /nfs/dbraw/zinc/92/16/27/592921627.db2.gz QPURLFRHSUGROL-ZDUSSCGKSA-N 1 2 326.356 1.039 20 30 EDEDLO C#CCOc1cccc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000731125431 592921718 /nfs/dbraw/zinc/92/17/18/592921718.db2.gz HKPODZFPTKMZAS-UHFFFAOYSA-N 1 2 348.362 1.601 20 30 EDEDLO C#CCOc1ccc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000731124653 592921843 /nfs/dbraw/zinc/92/18/43/592921843.db2.gz JRGATKLDUDJJLJ-CYBMUJFWSA-N 1 2 326.356 1.039 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)CC1 ZINC000911922249 593033583 /nfs/dbraw/zinc/03/35/83/593033583.db2.gz WBNGRPXGRGVAKZ-UHFFFAOYSA-N 1 2 345.443 1.596 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C[C@@H]4CCC[C@H]4C3=O)C2)nc1 ZINC000840078476 593124834 /nfs/dbraw/zinc/12/48/34/593124834.db2.gz PYXZSSHXIRYXCZ-ARFHVFGLSA-N 1 2 326.400 1.622 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C[C@@H]4CCC[C@H]4C3=O)C2)nc1 ZINC000840078476 593124835 /nfs/dbraw/zinc/12/48/35/593124835.db2.gz PYXZSSHXIRYXCZ-ARFHVFGLSA-N 1 2 326.400 1.622 20 30 EDEDLO CN(Cc1ccccc1)C(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000787070574 593150569 /nfs/dbraw/zinc/15/05/69/593150569.db2.gz XTAHDBUMPIPURH-HZPDHXFCSA-N 1 2 345.468 1.791 20 30 EDEDLO CN(Cc1ccccc1)C(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000787070574 593150571 /nfs/dbraw/zinc/15/05/71/593150571.db2.gz XTAHDBUMPIPURH-HZPDHXFCSA-N 1 2 345.468 1.791 20 30 EDEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C#N)ccc1Cl ZINC000807282448 593160105 /nfs/dbraw/zinc/16/01/05/593160105.db2.gz LEBCSHCSTDYSHC-CYBMUJFWSA-N 1 2 332.747 1.380 20 30 EDEDLO C#CCN(C(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000807691690 593190847 /nfs/dbraw/zinc/19/08/47/593190847.db2.gz QCTVBXCHBXAKEP-OAHLLOKOSA-N 1 2 340.427 1.181 20 30 EDEDLO CC[C@]1(C)CC(=O)N(C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000808178258 593234430 /nfs/dbraw/zinc/23/44/30/593234430.db2.gz GQLVKYOELLVUBN-GOSISDBHSA-N 1 2 327.432 1.681 20 30 EDEDLO COCCC[N@@H+](Cc1ccncc1)Cn1ccc(C)c(C#N)c1=O ZINC000758220700 593397218 /nfs/dbraw/zinc/39/72/18/593397218.db2.gz RFWQMPIFSKAMBF-UHFFFAOYSA-N 1 2 326.400 1.920 20 30 EDEDLO COCCC[N@H+](Cc1ccncc1)Cn1ccc(C)c(C#N)c1=O ZINC000758220700 593397220 /nfs/dbraw/zinc/39/72/20/593397220.db2.gz RFWQMPIFSKAMBF-UHFFFAOYSA-N 1 2 326.400 1.920 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CN3C[C@H]4CCC[C@@H]4C3=O)CC2)n1 ZINC000840046519 593416119 /nfs/dbraw/zinc/41/61/19/593416119.db2.gz BBGAXSHFVXYHKY-ZBFHGGJFSA-N 1 2 325.416 1.291 20 30 EDEDLO C=CCN(C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F)C(C)C ZINC000804565340 593425037 /nfs/dbraw/zinc/42/50/37/593425037.db2.gz DZFWRXAGUHKPQJ-UHFFFAOYSA-N 1 2 332.326 1.485 20 30 EDEDLO CC[N@H+](CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCOC1 ZINC000812298512 593495354 /nfs/dbraw/zinc/49/53/54/593495354.db2.gz OQEWZIKLMVNFAR-MAUKXSAKSA-N 1 2 342.399 1.394 20 30 EDEDLO CC[N@@H+](CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCOC1 ZINC000812298512 593495355 /nfs/dbraw/zinc/49/53/55/593495355.db2.gz OQEWZIKLMVNFAR-MAUKXSAKSA-N 1 2 342.399 1.394 20 30 EDEDLO CC[N@H+](CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CCOC1 ZINC000812298506 593495361 /nfs/dbraw/zinc/49/53/61/593495361.db2.gz OQEWZIKLMVNFAR-CRAIPNDOSA-N 1 2 342.399 1.394 20 30 EDEDLO CC[N@@H+](CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CCOC1 ZINC000812298506 593495362 /nfs/dbraw/zinc/49/53/62/593495362.db2.gz OQEWZIKLMVNFAR-CRAIPNDOSA-N 1 2 342.399 1.394 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCNC(=O)CC3)CC2)cc1 ZINC000814773806 593602372 /nfs/dbraw/zinc/60/23/72/593602372.db2.gz NZYZQOWFXSQBCQ-QGZVFWFLSA-N 1 2 340.427 1.119 20 30 EDEDLO CCc1ccc(C#CC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000815469354 593637123 /nfs/dbraw/zinc/63/71/23/593637123.db2.gz HIAQQNJGAFQKTN-UHFFFAOYSA-N 1 2 336.439 1.678 20 30 EDEDLO C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000817843751 593640333 /nfs/dbraw/zinc/64/03/33/593640333.db2.gz HLSPFNBZLUKHMA-QGZVFWFLSA-N 1 2 336.395 1.344 20 30 EDEDLO C#C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000820591180 593839447 /nfs/dbraw/zinc/83/94/47/593839447.db2.gz OOJBQTJTTRYZOV-ROUUACIJSA-N 1 2 327.428 1.867 20 30 EDEDLO COCC[N@@H+](CCC#N)CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821689310 593915473 /nfs/dbraw/zinc/91/54/73/593915473.db2.gz VSXWJGLTLXGKOT-UHFFFAOYSA-N 1 2 330.392 1.498 20 30 EDEDLO COCC[N@H+](CCC#N)CCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821689310 593915475 /nfs/dbraw/zinc/91/54/75/593915475.db2.gz VSXWJGLTLXGKOT-UHFFFAOYSA-N 1 2 330.392 1.498 20 30 EDEDLO COc1cc(C(=O)/C=C/c2ccc(N)[nH+]c2)ccc1S(C)(=O)=O ZINC000821038699 593951381 /nfs/dbraw/zinc/95/13/81/593951381.db2.gz KSLNIVRUMDXSTC-ZZXKWVIFSA-N 1 2 332.381 1.972 20 30 EDEDLO C#Cc1cnc(N2CC[NH+](CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)nc1 ZINC000827602320 594242486 /nfs/dbraw/zinc/24/24/86/594242486.db2.gz SXUGLSPNTBXVCD-WBVHZDCISA-N 1 2 341.459 1.275 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826549613 594522816 /nfs/dbraw/zinc/52/28/16/594522816.db2.gz ANALGIXTVNELQQ-QRVBRYPASA-N 1 2 344.455 1.903 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826549613 594522817 /nfs/dbraw/zinc/52/28/17/594522817.db2.gz ANALGIXTVNELQQ-QRVBRYPASA-N 1 2 344.455 1.903 20 30 EDEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CSCC#N)C2)cc1 ZINC000826603204 594537827 /nfs/dbraw/zinc/53/78/27/594537827.db2.gz BZMAICHWORMSBL-INIZCTEOSA-N 1 2 333.457 1.569 20 30 EDEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CSCC#N)C2)cc1 ZINC000826603204 594537828 /nfs/dbraw/zinc/53/78/28/594537828.db2.gz BZMAICHWORMSBL-INIZCTEOSA-N 1 2 333.457 1.569 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831443094 594631515 /nfs/dbraw/zinc/63/15/15/594631515.db2.gz TXMOLRCUFJXMPJ-KRWDZBQOSA-N 1 2 333.411 1.397 20 30 EDEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)cc1 ZINC000827270624 594657833 /nfs/dbraw/zinc/65/78/33/594657833.db2.gz DLPOJNOQZDBTPP-KGLIPLIRSA-N 1 2 337.445 1.443 20 30 EDEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)cc1 ZINC000827270624 594657834 /nfs/dbraw/zinc/65/78/34/594657834.db2.gz DLPOJNOQZDBTPP-KGLIPLIRSA-N 1 2 337.445 1.443 20 30 EDEDLO C[NH+]1CCN(C2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)CC1 ZINC000827467291 594674862 /nfs/dbraw/zinc/67/48/62/594674862.db2.gz ATXAQZXMQJLYBS-VOTSOKGWSA-N 1 2 338.455 1.810 20 30 EDEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000832130460 594728851 /nfs/dbraw/zinc/72/88/51/594728851.db2.gz XYIVJFKZMXBYSO-LSDHHAIUSA-N 1 2 337.370 1.827 20 30 EDEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000832130460 594728852 /nfs/dbraw/zinc/72/88/52/594728852.db2.gz XYIVJFKZMXBYSO-LSDHHAIUSA-N 1 2 337.370 1.827 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@H+]2CCOC[C@H]2C)cc1 ZINC000836350022 594954043 /nfs/dbraw/zinc/95/40/43/594954043.db2.gz NKQIPKMKMMAIML-OAHLLOKOSA-N 1 2 331.416 1.219 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1 ZINC000836350022 594954045 /nfs/dbraw/zinc/95/40/45/594954045.db2.gz NKQIPKMKMMAIML-OAHLLOKOSA-N 1 2 331.416 1.219 20 30 EDEDLO CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)=N2)cc1 ZINC000834489723 595140987 /nfs/dbraw/zinc/14/09/87/595140987.db2.gz OTCMHQTZHDLRSG-DZGCQCFKSA-N 1 2 339.399 1.543 20 30 EDEDLO CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)=N2)cc1 ZINC000834489728 595141019 /nfs/dbraw/zinc/14/10/19/595141019.db2.gz OTCMHQTZHDLRSG-UKRRQHHQSA-N 1 2 339.399 1.543 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O ZINC000837968908 595245918 /nfs/dbraw/zinc/24/59/18/595245918.db2.gz HMHNPTXFGAJFJU-LNSITVRQSA-N 1 2 334.441 1.535 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O ZINC000837968908 595245922 /nfs/dbraw/zinc/24/59/22/595245922.db2.gz HMHNPTXFGAJFJU-LNSITVRQSA-N 1 2 334.441 1.535 20 30 EDEDLO C[N@H+](CCS(=O)(=O)c1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844364994 595331250 /nfs/dbraw/zinc/33/12/50/595331250.db2.gz HQNBQENUKLCYBP-SFHVURJKSA-N 1 2 344.436 1.997 20 30 EDEDLO C[N@@H+](CCS(=O)(=O)c1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844364994 595331256 /nfs/dbraw/zinc/33/12/56/595331256.db2.gz HQNBQENUKLCYBP-SFHVURJKSA-N 1 2 344.436 1.997 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1C ZINC000844431829 595342642 /nfs/dbraw/zinc/34/26/42/595342642.db2.gz WYHVUFBZEAOOKW-UAVUOLJFSA-N 1 2 345.468 1.755 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1C ZINC000844431829 595342644 /nfs/dbraw/zinc/34/26/44/595342644.db2.gz WYHVUFBZEAOOKW-UAVUOLJFSA-N 1 2 345.468 1.755 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000848493104 595395534 /nfs/dbraw/zinc/39/55/34/595395534.db2.gz JHDUDMSWQXHTQH-UGSOOPFHSA-N 1 2 333.432 1.557 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000848493104 595395536 /nfs/dbraw/zinc/39/55/36/595395536.db2.gz JHDUDMSWQXHTQH-UGSOOPFHSA-N 1 2 333.432 1.557 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848494820 595395962 /nfs/dbraw/zinc/39/59/62/595395962.db2.gz SROBYOANQWFHEM-CXAGYDPISA-N 1 2 329.356 1.835 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848494820 595395964 /nfs/dbraw/zinc/39/59/64/595395964.db2.gz SROBYOANQWFHEM-CXAGYDPISA-N 1 2 329.356 1.835 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)ccn12 ZINC000848780425 595446348 /nfs/dbraw/zinc/44/63/48/595446348.db2.gz HJGNBQHTEIOHPP-QGZVFWFLSA-N 1 2 326.356 1.608 20 30 EDEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000845253891 595469710 /nfs/dbraw/zinc/46/97/10/595469710.db2.gz SRGGFVFOHBMHMA-MRXNPFEDSA-N 1 2 327.388 1.209 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000112921077 595569237 /nfs/dbraw/zinc/56/92/37/595569237.db2.gz XMSZFBMHYNJSET-INIZCTEOSA-N 1 2 345.830 1.470 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000858128500 595707788 /nfs/dbraw/zinc/70/77/88/595707788.db2.gz PUJCFVIPMGSGDX-OAHLLOKOSA-N 1 2 327.388 1.495 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000853236746 595715996 /nfs/dbraw/zinc/71/59/96/595715996.db2.gz FYIYYLLBGAJUAA-UHFFFAOYSA-N 1 2 342.399 1.821 20 30 EDEDLO CC[C@]1(c2cnn(C)c2)NC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853524028 595784820 /nfs/dbraw/zinc/78/48/20/595784820.db2.gz KHKFNYJHGLIWJJ-CXAGYDPISA-N 1 2 344.419 1.160 20 30 EDEDLO CC[C@]1(c2cnn(C)c2)NC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853524028 595784825 /nfs/dbraw/zinc/78/48/25/595784825.db2.gz KHKFNYJHGLIWJJ-CXAGYDPISA-N 1 2 344.419 1.160 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1NCC1(OCCO)CCOCC1 ZINC000853572584 595809652 /nfs/dbraw/zinc/80/96/52/595809652.db2.gz QFSZWTRVFVNTJV-UHFFFAOYSA-N 1 2 334.416 1.844 20 30 EDEDLO C=C(C)CC[C@@H](C)OC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000860854867 595818925 /nfs/dbraw/zinc/81/89/25/595818925.db2.gz KYWFFFFVWFBSFF-KBMXLJTQSA-N 1 2 349.431 1.997 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)NC2(CCC(CC)CC2)C1=O ZINC000853619718 595834483 /nfs/dbraw/zinc/83/44/83/595834483.db2.gz IZOZZTYIHMPFAI-UHFFFAOYSA-N 1 2 335.448 1.806 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)NC2(CCC(CC)CC2)C1=O ZINC000853619718 595834486 /nfs/dbraw/zinc/83/44/86/595834486.db2.gz IZOZZTYIHMPFAI-UHFFFAOYSA-N 1 2 335.448 1.806 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000852153389 596062921 /nfs/dbraw/zinc/06/29/21/596062921.db2.gz IKBRBMJHRSWFHV-HNNXBMFYSA-N 1 2 332.379 1.313 20 30 EDEDLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852333890 596128861 /nfs/dbraw/zinc/12/88/61/596128861.db2.gz XNMJDDNHNXUESK-LZLYRXPVSA-N 1 2 333.432 1.351 20 30 EDEDLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852333890 596128862 /nfs/dbraw/zinc/12/88/62/596128862.db2.gz XNMJDDNHNXUESK-LZLYRXPVSA-N 1 2 333.432 1.351 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854728954 596178028 /nfs/dbraw/zinc/17/80/28/596178028.db2.gz STQIQPIPVPVYIK-MRXNPFEDSA-N 1 2 342.395 1.090 20 30 EDEDLO C[C@H](O)c1ncc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)s1 ZINC000862421970 596325979 /nfs/dbraw/zinc/32/59/79/596325979.db2.gz MVAVEGYQWAIXBE-LBPRGKRZSA-N 1 2 329.429 1.785 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1 ZINC000869026959 596385536 /nfs/dbraw/zinc/38/55/36/596385536.db2.gz XCTDGUADMFBSCO-HNNXBMFYSA-N 1 2 349.475 1.847 20 30 EDEDLO C=CCCS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@@H]2C1 ZINC000867623515 596466790 /nfs/dbraw/zinc/46/67/90/596466790.db2.gz CSWJZDAIIJJKHD-HUUCEWRRSA-N 1 2 337.445 1.397 20 30 EDEDLO C=C(C)CS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@H]2C1 ZINC000867623924 596466796 /nfs/dbraw/zinc/46/67/96/596466796.db2.gz FFPBMXPHDWBEDZ-LSDHHAIUSA-N 1 2 337.445 1.397 20 30 EDEDLO C#CCCCS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@@H]2C1 ZINC000867627193 596467951 /nfs/dbraw/zinc/46/79/51/596467951.db2.gz UWUXEAVIEBTVRP-HZPDHXFCSA-N 1 2 349.456 1.234 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867710547 596507970 /nfs/dbraw/zinc/50/79/70/596507970.db2.gz CCMQNFPPISJTEZ-CQSZACIVSA-N 1 2 325.409 1.579 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867710547 596507971 /nfs/dbraw/zinc/50/79/71/596507971.db2.gz CCMQNFPPISJTEZ-CQSZACIVSA-N 1 2 325.409 1.579 20 30 EDEDLO CN1CCN(S(=O)(=O)c2ccc(C#N)s2)Cc2ccc[nH+]c21 ZINC000867899879 596608251 /nfs/dbraw/zinc/60/82/51/596608251.db2.gz RGHHZALEFDCUMA-UHFFFAOYSA-N 1 2 334.426 1.655 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)cc1 ZINC000870093780 596747783 /nfs/dbraw/zinc/74/77/83/596747783.db2.gz QBSMOMTXDLZVNQ-MRXNPFEDSA-N 1 2 335.411 1.666 20 30 EDEDLO C#C[C@H](CC)NC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000868538382 596877242 /nfs/dbraw/zinc/87/72/42/596877242.db2.gz UKPDTWVSFIXXHX-QZTJIDSGSA-N 1 2 329.444 1.907 20 30 EDEDLO C#C[C@H](CC)NC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000868538382 596877244 /nfs/dbraw/zinc/87/72/44/596877244.db2.gz UKPDTWVSFIXXHX-QZTJIDSGSA-N 1 2 329.444 1.907 20 30 EDEDLO N#Cc1ccccc1N1CCC(NC(=O)NCCn2cc[nH+]c2)CC1 ZINC000864411192 596885919 /nfs/dbraw/zinc/88/59/19/596885919.db2.gz WJHRNQIZBDLSLZ-UHFFFAOYSA-N 1 2 338.415 1.723 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(C#N)c(OC)c1 ZINC000875593846 596909430 /nfs/dbraw/zinc/90/94/30/596909430.db2.gz LFCYUMLYNRQXEO-INIZCTEOSA-N 1 2 346.431 1.477 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(C#N)c(OC)c1 ZINC000875593846 596909432 /nfs/dbraw/zinc/90/94/32/596909432.db2.gz LFCYUMLYNRQXEO-INIZCTEOSA-N 1 2 346.431 1.477 20 30 EDEDLO CC(C)C[C@@H](C(=O)NCCNc1ncccc1C#N)n1cc[nH+]c1 ZINC000874185730 596960666 /nfs/dbraw/zinc/96/06/66/596960666.db2.gz HJBIMUZPMGOMQR-HNNXBMFYSA-N 1 2 326.404 1.965 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2cnn(CC#N)c2)cc1 ZINC000874252653 596986951 /nfs/dbraw/zinc/98/69/51/596986951.db2.gz CCJOQSAQPDVCFY-MRXNPFEDSA-N 1 2 325.372 1.628 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2cnn(CC#N)c2)cc1 ZINC000874252653 596986952 /nfs/dbraw/zinc/98/69/52/596986952.db2.gz CCJOQSAQPDVCFY-MRXNPFEDSA-N 1 2 325.372 1.628 20 30 EDEDLO CON=C(C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1csc(N)n1 ZINC000874346074 597026234 /nfs/dbraw/zinc/02/62/34/597026234.db2.gz IEPVVFJCCOCPFR-JTQLQIEISA-N 1 2 334.405 1.136 20 30 EDEDLO CC#CCCNC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000875504879 597455645 /nfs/dbraw/zinc/45/56/45/597455645.db2.gz IFGVAIUZHCIAHR-GOSISDBHSA-N 1 2 329.444 1.908 20 30 EDEDLO CC#CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000875504879 597455648 /nfs/dbraw/zinc/45/56/48/597455648.db2.gz IFGVAIUZHCIAHR-GOSISDBHSA-N 1 2 329.444 1.908 20 30 EDEDLO CC(C)(O)C[C@H](O)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000878208955 597587108 /nfs/dbraw/zinc/58/71/08/597587108.db2.gz CDCDVSKZXYVHQN-ZDUSSCGKSA-N 1 2 334.420 1.068 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499946 597609367 /nfs/dbraw/zinc/60/93/67/597609367.db2.gz IYBOJSWWCDBHEM-GDBMZVCRSA-N 1 2 339.443 1.817 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499946 597609370 /nfs/dbraw/zinc/60/93/70/597609370.db2.gz IYBOJSWWCDBHEM-GDBMZVCRSA-N 1 2 339.443 1.817 20 30 EDEDLO C=C(C)C[C@H](CO)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000883077580 597640200 /nfs/dbraw/zinc/64/02/00/597640200.db2.gz ODCYIBDSJCCAPL-GOSISDBHSA-N 1 2 347.459 1.645 20 30 EDEDLO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nnc3c(=O)n(C)ccn23)cc1 ZINC000883332989 597716836 /nfs/dbraw/zinc/71/68/36/597716836.db2.gz IJWFZPBYWCWIHP-CYBMUJFWSA-N 1 2 337.383 1.291 20 30 EDEDLO CC[C@]1(O)CCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000879309803 597882476 /nfs/dbraw/zinc/88/24/76/597882476.db2.gz BJMMICDFSHRKKK-SFHVURJKSA-N 1 2 326.400 1.657 20 30 EDEDLO CC[C@]1(O)CCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000879309803 597882478 /nfs/dbraw/zinc/88/24/78/597882478.db2.gz BJMMICDFSHRKKK-SFHVURJKSA-N 1 2 326.400 1.657 20 30 EDEDLO N#C[C@@H](C(=O)C[N@H+]1CC[C@@H](CF)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000880297095 597894747 /nfs/dbraw/zinc/89/47/47/597894747.db2.gz JFVPIDYZPVKYOX-AAEUAGOBSA-N 1 2 328.347 1.803 20 30 EDEDLO N#C[C@@H](C(=O)C[N@@H+]1CC[C@@H](CF)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000880297095 597894749 /nfs/dbraw/zinc/89/47/49/597894749.db2.gz JFVPIDYZPVKYOX-AAEUAGOBSA-N 1 2 328.347 1.803 20 30 EDEDLO C#CCC1(O)CC[NH+]([C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 ZINC000880480405 597942189 /nfs/dbraw/zinc/94/21/89/597942189.db2.gz RNPLOLQOPPMMSY-CQSZACIVSA-N 1 2 346.427 1.840 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC=C[C@H]2CO)cc1 ZINC000880484026 597943116 /nfs/dbraw/zinc/94/31/16/597943116.db2.gz LHLGAICDTKODCJ-INIZCTEOSA-N 1 2 329.400 1.565 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC=C[C@H]2CO)cc1 ZINC000880484026 597943118 /nfs/dbraw/zinc/94/31/18/597943118.db2.gz LHLGAICDTKODCJ-INIZCTEOSA-N 1 2 329.400 1.565 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21)C1(C#N)CCCCC1 ZINC000880530305 597956854 /nfs/dbraw/zinc/95/68/54/597956854.db2.gz FPXGIBKMUHDYLU-ZBFHGGJFSA-N 1 2 332.448 1.272 20 30 EDEDLO CN(C(=O)C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21)C1(C#N)CCCCC1 ZINC000880530305 597956855 /nfs/dbraw/zinc/95/68/55/597956855.db2.gz FPXGIBKMUHDYLU-ZBFHGGJFSA-N 1 2 332.448 1.272 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(Br)s1 ZINC000884088357 597991278 /nfs/dbraw/zinc/99/12/78/597991278.db2.gz HPDHMDAMHSEIST-VIFPVBQESA-N 1 2 347.234 1.573 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCc1cccc(F)c1)C1CC1 ZINC000884139070 598005888 /nfs/dbraw/zinc/00/58/88/598005888.db2.gz IGZPZMZUSLBXSF-INIZCTEOSA-N 1 2 334.391 1.806 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(Cl)c(OC)c(OC)c1 ZINC000884383777 598088293 /nfs/dbraw/zinc/08/82/93/598088293.db2.gz UNGKMTPLZQFZMT-NSHDSACASA-N 1 2 342.779 1.742 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCc2cnn(CC)c2)C1 ZINC001031077242 695478723 /nfs/dbraw/zinc/47/87/23/695478723.db2.gz KPTAIVINSYMDFT-ROUUACIJSA-N 1 2 346.475 1.617 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]23)nc1 ZINC001060540690 695878334 /nfs/dbraw/zinc/87/83/34/695878334.db2.gz CEOJWCGHTXTNKS-RBSFLKMASA-N 1 2 336.399 1.568 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H]1C ZINC000993446572 696157929 /nfs/dbraw/zinc/15/79/29/696157929.db2.gz NLMLYCPFGLVYTF-JSGCOSHPSA-N 1 2 337.855 1.877 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H]1C ZINC000993446572 696157931 /nfs/dbraw/zinc/15/79/31/696157931.db2.gz NLMLYCPFGLVYTF-JSGCOSHPSA-N 1 2 337.855 1.877 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCC(Nc2nccnc2C#N)CC1 ZINC001060599487 696230692 /nfs/dbraw/zinc/23/06/92/696230692.db2.gz FERGLGQVQFGNCR-UHFFFAOYSA-N 1 2 339.403 1.462 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2nnc[nH]2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000994015190 696493216 /nfs/dbraw/zinc/49/32/16/696493216.db2.gz AMMFJPBZWIFSLD-ZWNOBZJWSA-N 1 2 330.417 1.521 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2nnc[nH]2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000994015190 696493218 /nfs/dbraw/zinc/49/32/18/696493218.db2.gz AMMFJPBZWIFSLD-ZWNOBZJWSA-N 1 2 330.417 1.521 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC001031314290 696655321 /nfs/dbraw/zinc/65/53/21/696655321.db2.gz QJNHKQQOKNWQFK-OAQYLSRUSA-N 1 2 348.446 1.614 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)no1 ZINC001031531358 697216230 /nfs/dbraw/zinc/21/62/30/697216230.db2.gz RNQCAZJBXMJDQA-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCC#CCO)CC1 ZINC000923759239 697231403 /nfs/dbraw/zinc/23/14/03/697231403.db2.gz DOGUOWYAHKEIIG-KRWDZBQOSA-N 1 2 333.407 1.600 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031577643 697274080 /nfs/dbraw/zinc/27/40/80/697274080.db2.gz CEBOIEMNKWBDTE-LSDHHAIUSA-N 1 2 345.374 1.054 20 30 EDEDLO C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001060765807 700143971 /nfs/dbraw/zinc/14/39/71/700143971.db2.gz UJKHRXYBOKPBFB-WKILWMFISA-N 1 2 344.459 1.557 20 30 EDEDLO N#Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c[nH]1 ZINC001031622481 697342830 /nfs/dbraw/zinc/34/28/30/697342830.db2.gz NNYBYGHPJGVZKI-UHFFFAOYSA-N 1 2 325.397 1.681 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cccc3c2CCN(C)C3)CC1 ZINC000921437373 697612794 /nfs/dbraw/zinc/61/27/94/697612794.db2.gz VVKHVXAFNCJIGL-UHFFFAOYSA-N 1 2 347.484 1.050 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000921439617 697613943 /nfs/dbraw/zinc/61/39/43/697613943.db2.gz FUUFZDZADBVPKP-UHFFFAOYSA-N 1 2 341.364 1.110 20 30 EDEDLO CC(C)n1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)nn1 ZINC001032079464 698267449 /nfs/dbraw/zinc/26/74/49/698267449.db2.gz ICWQHHRHNPWMOT-UHFFFAOYSA-N 1 2 337.427 1.572 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccon3)C[C@H]2C)nn1 ZINC000943483409 698394579 /nfs/dbraw/zinc/39/45/79/698394579.db2.gz WSAIWOVCJNRUQI-TZMCWYRMSA-N 1 2 330.392 1.093 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccon3)C[C@H]2C)nn1 ZINC000943483409 698394583 /nfs/dbraw/zinc/39/45/83/698394583.db2.gz WSAIWOVCJNRUQI-TZMCWYRMSA-N 1 2 330.392 1.093 20 30 EDEDLO C=CCO[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756272 698446770 /nfs/dbraw/zinc/44/67/70/698446770.db2.gz JIRZKVBTERPVIE-BZUAXINKSA-N 1 2 348.447 1.265 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938715596 698542760 /nfs/dbraw/zinc/54/27/60/698542760.db2.gz SQYAEXKYTPLJMU-AWEZNQCLSA-N 1 2 341.415 1.313 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943672849 698672943 /nfs/dbraw/zinc/67/29/43/698672943.db2.gz AHILPKZZZPUURL-ABAIWWIYSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943672849 698672945 /nfs/dbraw/zinc/67/29/45/698672945.db2.gz AHILPKZZZPUURL-ABAIWWIYSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1NC(=O)c1nc[nH]n1 ZINC000943672849 698672948 /nfs/dbraw/zinc/67/29/48/698672948.db2.gz AHILPKZZZPUURL-ABAIWWIYSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1NC(=O)c1nc[nH]n1 ZINC000943672849 698672950 /nfs/dbraw/zinc/67/29/50/698672950.db2.gz AHILPKZZZPUURL-ABAIWWIYSA-N 1 2 342.378 1.456 20 30 EDEDLO Cc1ncn(C)c1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031748072 698917783 /nfs/dbraw/zinc/91/77/83/698917783.db2.gz VSAXOPLGHCKTPR-UHFFFAOYSA-N 1 2 340.402 1.581 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cc(C)ccc3OC)CC2)C1 ZINC000941475922 701551620 /nfs/dbraw/zinc/55/16/20/701551620.db2.gz CLUDLXIFLBWEKH-UHFFFAOYSA-N 1 2 341.455 1.008 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3ccc(C)cc3)CC2)C1 ZINC000941479740 701552954 /nfs/dbraw/zinc/55/29/54/701552954.db2.gz SHBPSAQGGNJMTC-UHFFFAOYSA-N 1 2 325.456 1.389 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC(C)(C)CO3)CC2)C1 ZINC000941491173 701557514 /nfs/dbraw/zinc/55/75/14/701557514.db2.gz KWBJYMNXXOAWBK-KRWDZBQOSA-N 1 2 333.476 1.043 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OC)cc3C)CC2)C1 ZINC000941538828 701569995 /nfs/dbraw/zinc/56/99/95/701569995.db2.gz LRKUJEBOKSBTTB-UHFFFAOYSA-N 1 2 327.428 1.079 20 30 EDEDLO CCOc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)co1 ZINC001031814454 699499802 /nfs/dbraw/zinc/49/98/02/699499802.db2.gz GCUXRMLCOUGCAR-UHFFFAOYSA-N 1 2 346.412 1.868 20 30 EDEDLO C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000939412357 699565626 /nfs/dbraw/zinc/56/56/26/699565626.db2.gz WJMSDBGCAWXXKN-DGCLKSJQSA-N 1 2 325.372 1.395 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCO[C@@H](CC)C3)CC2)C1 ZINC000941632651 701600906 /nfs/dbraw/zinc/60/09/06/701600906.db2.gz MXHHDRCMACADGE-AEFFLSMTSA-N 1 2 333.476 1.043 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000939483128 699616176 /nfs/dbraw/zinc/61/61/76/699616176.db2.gz WTZFOXYOGNVKIU-KSSFIOAISA-N 1 2 332.448 1.624 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3coc(CCC)n3)CC2)C1 ZINC000941638481 701602750 /nfs/dbraw/zinc/60/27/50/701602750.db2.gz FERBRLITDQEYGV-UHFFFAOYSA-N 1 2 330.432 1.092 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@]34CCc3ccccc34)CC2)C1 ZINC000941622266 701604403 /nfs/dbraw/zinc/60/44/03/701604403.db2.gz GEALKFIGJWPKFG-RBBKRZOGSA-N 1 2 349.478 1.352 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(CC)no3)C2)cn1 ZINC000939567869 699710753 /nfs/dbraw/zinc/71/07/53/699710753.db2.gz OTIBCXJZNUEHHF-SWLSCSKDSA-N 1 2 339.399 1.259 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3cccnc3OC)C2)c1 ZINC001031964762 701609599 /nfs/dbraw/zinc/60/95/99/701609599.db2.gz BXQVMZXYJVKGEW-UHFFFAOYSA-N 1 2 336.395 1.328 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)C1 ZINC000941651233 701611882 /nfs/dbraw/zinc/61/18/82/701611882.db2.gz YQLOJAKVQGXNDD-UHFFFAOYSA-N 1 2 340.471 1.218 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3csc(CC)n3)CC2)C1 ZINC000941674685 701614578 /nfs/dbraw/zinc/61/45/78/701614578.db2.gz HDVPRXKFORGEBI-UHFFFAOYSA-N 1 2 346.500 1.100 20 30 EDEDLO C=C[C@@H](C(=O)N1CCN(C2C[NH+](CC#CC)C2)CC1)c1ccccc1 ZINC000941674813 701614734 /nfs/dbraw/zinc/61/47/34/701614734.db2.gz NAENPDIEKSSRFB-HXUWFJFHSA-N 1 2 337.467 1.808 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)cccc3F)CC2)C1 ZINC000941685242 701630328 /nfs/dbraw/zinc/63/03/28/701630328.db2.gz ZTENAHQJWHAXQW-UHFFFAOYSA-N 1 2 329.419 1.599 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCN2C(=O)C(C)C)C1 ZINC001032195129 701664403 /nfs/dbraw/zinc/66/44/03/701664403.db2.gz KMRDKKDTCBJRJF-CQSZACIVSA-N 1 2 327.856 1.434 20 30 EDEDLO Cn1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)n1 ZINC000940659275 700820622 /nfs/dbraw/zinc/82/06/22/700820622.db2.gz VHYBRSFHRIJOKV-OAHLLOKOSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1ncc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)n1 ZINC000940659275 700820625 /nfs/dbraw/zinc/82/06/25/700820625.db2.gz VHYBRSFHRIJOKV-OAHLLOKOSA-N 1 2 341.419 1.045 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940795792 700914962 /nfs/dbraw/zinc/91/49/62/700914962.db2.gz SRHOMOMYHVGZKG-LSDHHAIUSA-N 1 2 340.489 1.194 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940795792 700914963 /nfs/dbraw/zinc/91/49/63/700914963.db2.gz SRHOMOMYHVGZKG-LSDHHAIUSA-N 1 2 340.489 1.194 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000940916077 700985008 /nfs/dbraw/zinc/98/50/08/700985008.db2.gz ZHOZXBREBYDDKX-LSDHHAIUSA-N 1 2 340.489 1.194 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000940916077 700985010 /nfs/dbraw/zinc/98/50/10/700985010.db2.gz ZHOZXBREBYDDKX-LSDHHAIUSA-N 1 2 340.489 1.194 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ncc3n2CCCC3)C1 ZINC001032196961 701686868 /nfs/dbraw/zinc/68/68/68/701686868.db2.gz UUTXUIICGOMIEJ-UHFFFAOYSA-N 1 2 349.438 1.953 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)OC3CCCCC3)CC2)C1 ZINC000941408557 701521060 /nfs/dbraw/zinc/52/10/60/701521060.db2.gz KOAYLJCRJZOODZ-LJQANCHMSA-N 1 2 347.503 1.576 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000941449668 701546421 /nfs/dbraw/zinc/54/64/21/701546421.db2.gz PLVTUZWKWGUGNC-HNNXBMFYSA-N 1 2 344.459 1.719 20 30 EDEDLO CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000995775207 701992785 /nfs/dbraw/zinc/99/27/85/701992785.db2.gz JYOIPIKNTWTTED-CQSZACIVSA-N 1 2 328.416 1.687 20 30 EDEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047347 702013261 /nfs/dbraw/zinc/01/32/61/702013261.db2.gz PYFWGUPLYBWJSC-RDJZCZTQSA-N 1 2 337.427 1.226 20 30 EDEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047347 702013271 /nfs/dbraw/zinc/01/32/71/702013271.db2.gz PYFWGUPLYBWJSC-RDJZCZTQSA-N 1 2 337.427 1.226 20 30 EDEDLO CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nc(CC2CC2)no1 ZINC000995797028 702037150 /nfs/dbraw/zinc/03/71/50/702037150.db2.gz JUNOIHXDCSBOCI-OAHLLOKOSA-N 1 2 342.443 1.762 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C[C@@H]2C)cn1 ZINC000944213165 702541893 /nfs/dbraw/zinc/54/18/93/702541893.db2.gz BRLNYXFHVIMPFH-LRDDRELGSA-N 1 2 338.415 1.130 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)C[C@@H]2C)cn1 ZINC000944213165 702541898 /nfs/dbraw/zinc/54/18/98/702541898.db2.gz BRLNYXFHVIMPFH-LRDDRELGSA-N 1 2 338.415 1.130 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nncn2C)C[C@H]1C ZINC000942130685 702634712 /nfs/dbraw/zinc/63/47/12/702634712.db2.gz PKUPJXZXIGIVMS-CABCVRRESA-N 1 2 342.447 1.443 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nncn2C)C[C@H]1C ZINC000942130685 702634714 /nfs/dbraw/zinc/63/47/14/702634714.db2.gz PKUPJXZXIGIVMS-CABCVRRESA-N 1 2 342.447 1.443 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3C)C[C@@H]2C)cc1 ZINC000942553935 703066585 /nfs/dbraw/zinc/06/65/85/703066585.db2.gz WBOVHHVDQKIJNL-WMLDXEAASA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3C)C[C@@H]2C)cc1 ZINC000942553935 703066588 /nfs/dbraw/zinc/06/65/88/703066588.db2.gz WBOVHHVDQKIJNL-WMLDXEAASA-N 1 2 337.427 1.437 20 30 EDEDLO COc1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)sn1 ZINC001004442562 704424948 /nfs/dbraw/zinc/42/49/48/704424948.db2.gz NKDCXPFGULLSSC-CYBMUJFWSA-N 1 2 334.445 1.992 20 30 EDEDLO COc1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)sn1 ZINC001004442562 704424951 /nfs/dbraw/zinc/42/49/51/704424951.db2.gz NKDCXPFGULLSSC-CYBMUJFWSA-N 1 2 334.445 1.992 20 30 EDEDLO O=C(C#CC1CC1)N1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC000944932604 704789818 /nfs/dbraw/zinc/78/98/18/704789818.db2.gz DSCZCNOVMOSVNP-UHFFFAOYSA-N 1 2 340.427 1.207 20 30 EDEDLO CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCCN(CC#N)CC1 ZINC000998048911 705247249 /nfs/dbraw/zinc/24/72/49/705247249.db2.gz XNIOSGQCQUOVBU-HOTGVXAUSA-N 1 2 329.448 1.672 20 30 EDEDLO CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCCN(CC#N)CC1 ZINC000998048909 705247499 /nfs/dbraw/zinc/24/74/99/705247499.db2.gz XNIOSGQCQUOVBU-CVEARBPZSA-N 1 2 329.448 1.672 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(F)(F)F)s2)C1 ZINC000998757223 706192179 /nfs/dbraw/zinc/19/21/79/706192179.db2.gz WIWJHGRNLFNWNS-RKDXNWHRSA-N 1 2 347.366 1.797 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC000998757694 706193040 /nfs/dbraw/zinc/19/30/40/706193040.db2.gz YLAHKPYWOYWEJM-LSDHHAIUSA-N 1 2 338.415 1.508 20 30 EDEDLO CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000998960720 706380397 /nfs/dbraw/zinc/38/03/97/706380397.db2.gz IFWVKQQDBMPHBM-CYBMUJFWSA-N 1 2 342.403 1.787 20 30 EDEDLO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001032719706 707286019 /nfs/dbraw/zinc/28/60/19/707286019.db2.gz RPOKGXBNCAPJCD-ILXRZTDVSA-N 1 2 326.462 1.063 20 30 EDEDLO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001032719706 707286023 /nfs/dbraw/zinc/28/60/23/707286023.db2.gz RPOKGXBNCAPJCD-ILXRZTDVSA-N 1 2 326.462 1.063 20 30 EDEDLO C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001061630683 707408111 /nfs/dbraw/zinc/40/81/11/707408111.db2.gz AVYWPYLKKHAZHO-HOTGVXAUSA-N 1 2 348.447 1.534 20 30 EDEDLO C=C1CCC(C(=O)N2CCCC[C@H]2[C@@H](C)[NH2+]Cc2nnn(C)n2)CC1 ZINC001004938789 707707171 /nfs/dbraw/zinc/70/71/71/707707171.db2.gz SZTRYLMSMOUUAC-ZBFHGGJFSA-N 1 2 346.479 1.816 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(C#N)s1 ZINC001032731679 707733984 /nfs/dbraw/zinc/73/39/84/707733984.db2.gz OHTNBUMEZONQRB-KBPBESRZSA-N 1 2 341.440 1.381 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3snnc3C)C2)c1 ZINC001033405737 707816482 /nfs/dbraw/zinc/81/64/82/707816482.db2.gz PAQPJNVSCXTPIT-HNNXBMFYSA-N 1 2 341.440 1.569 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3snnc3C)C2)c1 ZINC001033405737 707816483 /nfs/dbraw/zinc/81/64/83/707816483.db2.gz PAQPJNVSCXTPIT-HNNXBMFYSA-N 1 2 341.440 1.569 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033432073 707819667 /nfs/dbraw/zinc/81/96/67/707819667.db2.gz LCXFBHRNYPNUQP-INMHGKMJSA-N 1 2 333.432 1.915 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033432073 707819669 /nfs/dbraw/zinc/81/96/69/707819669.db2.gz LCXFBHRNYPNUQP-INMHGKMJSA-N 1 2 333.432 1.915 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn3cc[nH]c23)c1 ZINC001032752336 707823724 /nfs/dbraw/zinc/82/37/24/707823724.db2.gz ICJSGVYFSGTUJF-HOTGVXAUSA-N 1 2 346.394 1.633 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn3cc[nH]c23)c1 ZINC001032752336 707823726 /nfs/dbraw/zinc/82/37/26/707823726.db2.gz ICJSGVYFSGTUJF-HOTGVXAUSA-N 1 2 346.394 1.633 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(OC)nc(OC)c2)C1 ZINC001033235893 707926052 /nfs/dbraw/zinc/92/60/52/707926052.db2.gz XUKOFZUTDMCFPA-ZDUSSCGKSA-N 1 2 339.823 1.998 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)nc(OC)c2)C1 ZINC001033235893 707926055 /nfs/dbraw/zinc/92/60/55/707926055.db2.gz XUKOFZUTDMCFPA-ZDUSSCGKSA-N 1 2 339.823 1.998 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](CNc3[nH+]cnc4c3cnn4C)C2)C1 ZINC001060984394 708086994 /nfs/dbraw/zinc/08/69/94/708086994.db2.gz RMTLRRDUBUZWGY-CYBMUJFWSA-N 1 2 340.431 1.980 20 30 EDEDLO Cc1nnc(C[NH+]2CCC(CNC(=O)c3cc(C#N)c[nH]3)CC2)s1 ZINC001001285282 708123475 /nfs/dbraw/zinc/12/34/75/708123475.db2.gz DTFARRFLEWDZPY-UHFFFAOYSA-N 1 2 344.444 1.688 20 30 EDEDLO C=CCC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001061011553 708167823 /nfs/dbraw/zinc/16/78/23/708167823.db2.gz AVIJCACQTYFLBN-UHFFFAOYSA-N 1 2 344.459 1.936 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnn3ccc(C)nc23)C1 ZINC001033587889 708280066 /nfs/dbraw/zinc/28/00/66/708280066.db2.gz FLLNXEPWVSALSE-CYBMUJFWSA-N 1 2 333.823 1.937 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn3ccc(C)nc23)C1 ZINC001033587889 708280067 /nfs/dbraw/zinc/28/00/67/708280067.db2.gz FLLNXEPWVSALSE-CYBMUJFWSA-N 1 2 333.823 1.937 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2C)C1 ZINC001005263834 708465000 /nfs/dbraw/zinc/46/50/00/708465000.db2.gz FEFNIYABTWTMSX-LSDHHAIUSA-N 1 2 330.432 1.593 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001033876978 708946088 /nfs/dbraw/zinc/94/60/88/708946088.db2.gz GFXCOOOHTPGJJW-GFCCVEGCSA-N 1 2 349.822 1.952 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001033876978 708946090 /nfs/dbraw/zinc/94/60/90/708946090.db2.gz GFXCOOOHTPGJJW-GFCCVEGCSA-N 1 2 349.822 1.952 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001061177877 709480984 /nfs/dbraw/zinc/48/09/84/709480984.db2.gz AQRZCNWTXCJCLC-ZIAGYGMSSA-N 1 2 342.447 1.051 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H](N(C)c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001061177877 709480986 /nfs/dbraw/zinc/48/09/86/709480986.db2.gz AQRZCNWTXCJCLC-ZIAGYGMSSA-N 1 2 342.447 1.051 20 30 EDEDLO N#Cc1cc(C(=O)N[C@@H]2CCCC[N@H+](Cc3cnns3)C2)c[nH]1 ZINC001034171425 709485470 /nfs/dbraw/zinc/48/54/70/709485470.db2.gz PMFXWUNYEFVQKT-GFCCVEGCSA-N 1 2 330.417 1.522 20 30 EDEDLO N#Cc1cc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cnns3)C2)c[nH]1 ZINC001034171425 709485472 /nfs/dbraw/zinc/48/54/72/709485472.db2.gz PMFXWUNYEFVQKT-GFCCVEGCSA-N 1 2 330.417 1.522 20 30 EDEDLO Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)no1 ZINC001034171796 709486462 /nfs/dbraw/zinc/48/64/62/709486462.db2.gz ZNAQSJZSCWKEEY-CQSZACIVSA-N 1 2 327.388 1.967 20 30 EDEDLO Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)no1 ZINC001034171796 709486464 /nfs/dbraw/zinc/48/64/64/709486464.db2.gz ZNAQSJZSCWKEEY-CQSZACIVSA-N 1 2 327.388 1.967 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ncccn2)C1 ZINC001034212833 709563741 /nfs/dbraw/zinc/56/37/41/709563741.db2.gz OACDZJLNCHTUPB-ZACQAIPSSA-N 1 2 344.459 1.929 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ncccn2)C1 ZINC001034212833 709563742 /nfs/dbraw/zinc/56/37/42/709563742.db2.gz OACDZJLNCHTUPB-ZACQAIPSSA-N 1 2 344.459 1.929 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001002931544 709597623 /nfs/dbraw/zinc/59/76/23/709597623.db2.gz OLAZMYMKTSGEAD-UONOGXRCSA-N 1 2 339.399 1.557 20 30 EDEDLO CN(c1ccc(C#N)nc1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001061243296 709933434 /nfs/dbraw/zinc/93/34/34/709933434.db2.gz BIEQGGHASDJJJH-QGZVFWFLSA-N 1 2 338.415 1.667 20 30 EDEDLO Cc1c[nH+]cn1CC(=O)NC1CCN(Cc2ccccc2C#N)CC1 ZINC001003318075 710246652 /nfs/dbraw/zinc/24/66/52/710246652.db2.gz DQCDNIYWPCJYGI-UHFFFAOYSA-N 1 2 337.427 1.844 20 30 EDEDLO Cc1cc(C#N)nc(N(C)[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001061271179 710381131 /nfs/dbraw/zinc/38/11/31/710381131.db2.gz IPOGTSPGTSTPGF-HNNXBMFYSA-N 1 2 339.403 1.050 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3)nn2)CC1 ZINC001003785962 710555091 /nfs/dbraw/zinc/55/50/91/710555091.db2.gz ANWXTGBUTCFYFR-UHFFFAOYSA-N 1 2 346.822 1.609 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](N(C)C(=O)CC3CC3)C2)c1 ZINC001032863637 710564440 /nfs/dbraw/zinc/56/44/40/710564440.db2.gz ZJBFFXPMMBLRJO-SFHVURJKSA-N 1 2 339.439 1.939 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](N(C)C(=O)CC3CC3)C2)c1 ZINC001032863637 710564442 /nfs/dbraw/zinc/56/44/42/710564442.db2.gz ZJBFFXPMMBLRJO-SFHVURJKSA-N 1 2 339.439 1.939 20 30 EDEDLO CN(C(=O)c1cnccn1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032884305 710585073 /nfs/dbraw/zinc/58/50/73/710585073.db2.gz NPQJTIRCOLOWEW-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO CN(C(=O)c1cnccn1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032884305 710585074 /nfs/dbraw/zinc/58/50/74/710585074.db2.gz NPQJTIRCOLOWEW-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032944401 710921472 /nfs/dbraw/zinc/92/14/72/710921472.db2.gz XLLSCAOTQNEVDZ-YOEHRIQHSA-N 1 2 331.391 1.767 20 30 EDEDLO CN(C(=O)[C@H]1CCOC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032944401 710921477 /nfs/dbraw/zinc/92/14/77/710921477.db2.gz XLLSCAOTQNEVDZ-YOEHRIQHSA-N 1 2 331.391 1.767 20 30 EDEDLO C=CCCC(=O)NC[C@@H]1COCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001061409809 711572336 /nfs/dbraw/zinc/57/23/36/711572336.db2.gz FNWRQQKWKRNXQP-CQSZACIVSA-N 1 2 342.399 1.258 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnn(CCF)c2)CC1 ZINC001004476699 711856855 /nfs/dbraw/zinc/85/68/55/711856855.db2.gz ZGEKRZQVMBCNDK-MRXNPFEDSA-N 1 2 333.411 1.693 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnn(CCF)c2)CC1 ZINC001004476699 711856856 /nfs/dbraw/zinc/85/68/56/711856856.db2.gz ZGEKRZQVMBCNDK-MRXNPFEDSA-N 1 2 333.411 1.693 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)CC1 ZINC001004523101 711922421 /nfs/dbraw/zinc/92/24/21/711922421.db2.gz RCNWTYVXDGFBIP-ZBFHGGJFSA-N 1 2 342.447 1.451 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)CC1 ZINC001004523101 711922422 /nfs/dbraw/zinc/92/24/22/711922422.db2.gz RCNWTYVXDGFBIP-ZBFHGGJFSA-N 1 2 342.447 1.451 20 30 EDEDLO COCCn1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004611558 712066119 /nfs/dbraw/zinc/06/61/19/712066119.db2.gz WLRKRLXFFSIFRH-QGZVFWFLSA-N 1 2 345.447 1.370 20 30 EDEDLO COCCn1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004611558 712066121 /nfs/dbraw/zinc/06/61/21/712066121.db2.gz WLRKRLXFFSIFRH-QGZVFWFLSA-N 1 2 345.447 1.370 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001033164130 712268639 /nfs/dbraw/zinc/26/86/39/712268639.db2.gz CLYZJRGARSJRBT-HUUCEWRRSA-N 1 2 349.866 1.731 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2c2ncccn2)C1 ZINC001033164130 712268641 /nfs/dbraw/zinc/26/86/41/712268641.db2.gz CLYZJRGARSJRBT-HUUCEWRRSA-N 1 2 349.866 1.731 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnn2CCOC)C1 ZINC001033173561 712337289 /nfs/dbraw/zinc/33/72/89/712337289.db2.gz CNFNLTLLSACIPU-ZDUSSCGKSA-N 1 2 326.828 1.428 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnn2CCOC)C1 ZINC001033173561 712337292 /nfs/dbraw/zinc/33/72/92/712337292.db2.gz CNFNLTLLSACIPU-ZDUSSCGKSA-N 1 2 326.828 1.428 20 30 EDEDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000055290685 214303050 /nfs/dbraw/zinc/30/30/50/214303050.db2.gz IBTYVCIFDHFSJE-KBPBESRZSA-N 1 2 337.445 1.336 20 30 EDEDLO N#CC1CC[NH+](CC(=O)Nc2ccccc2N2CCCC2=O)CC1 ZINC000057879596 214460846 /nfs/dbraw/zinc/46/08/46/214460846.db2.gz GRACTUDILUKMHO-UHFFFAOYSA-N 1 2 326.400 1.987 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000175152903 231394522 /nfs/dbraw/zinc/39/45/22/231394522.db2.gz FUFNFWCZWWVAIW-UHFFFAOYSA-N 1 2 334.383 1.492 20 30 EDEDLO CNC(=O)CC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000175032257 529847003 /nfs/dbraw/zinc/84/70/03/529847003.db2.gz GFIAXVGDMNKUIS-GFCCVEGCSA-N 1 2 346.431 1.943 20 30 EDEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000177994566 232053167 /nfs/dbraw/zinc/05/31/67/232053167.db2.gz HTBWCHROKJNOMU-FQEVSTJZSA-N 1 2 349.434 1.979 20 30 EDEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329424584 539436352 /nfs/dbraw/zinc/43/63/52/539436352.db2.gz FOOIEDZMYTWHFY-MRXNPFEDSA-N 1 2 330.432 1.912 20 30 EDEDLO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000329713102 539459098 /nfs/dbraw/zinc/45/90/98/539459098.db2.gz RBDJGJGRTCLKPL-HNNXBMFYSA-N 1 2 327.388 1.650 20 30 EDEDLO CCO[C@@H]1C[C@@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1(CC)CC ZINC000329732718 539460899 /nfs/dbraw/zinc/46/08/99/539460899.db2.gz QJOKWDJVMQMOQH-ZJIFWQFVSA-N 1 2 339.480 1.899 20 30 EDEDLO CCO[C@@H]1C[C@@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1(CC)CC ZINC000329732718 539460903 /nfs/dbraw/zinc/46/09/03/539460903.db2.gz QJOKWDJVMQMOQH-ZJIFWQFVSA-N 1 2 339.480 1.899 20 30 EDEDLO CC[N@@H+](CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)C[C@@H](C)C#N ZINC000066424667 215041211 /nfs/dbraw/zinc/04/12/11/215041211.db2.gz GJYWTHPOABWVGU-HNNXBMFYSA-N 1 2 336.480 1.573 20 30 EDEDLO CC[N@H+](CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)C[C@@H](C)C#N ZINC000066424667 215041215 /nfs/dbraw/zinc/04/12/15/215041215.db2.gz GJYWTHPOABWVGU-HNNXBMFYSA-N 1 2 336.480 1.573 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)C1 ZINC000329102761 283022420 /nfs/dbraw/zinc/02/24/20/283022420.db2.gz DABWBPSUJGRIOK-KYHPRHEASA-N 1 2 339.480 1.637 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)C1 ZINC000329102761 283022425 /nfs/dbraw/zinc/02/24/25/283022425.db2.gz DABWBPSUJGRIOK-KYHPRHEASA-N 1 2 339.480 1.637 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000563258496 306325062 /nfs/dbraw/zinc/32/50/62/306325062.db2.gz SHHZDCYZFNFPAV-LBPRGKRZSA-N 1 2 349.818 1.826 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000563258496 306325063 /nfs/dbraw/zinc/32/50/63/306325063.db2.gz SHHZDCYZFNFPAV-LBPRGKRZSA-N 1 2 349.818 1.826 20 30 EDEDLO COc1ccc(C[N@H+](CCO)Cc2ccc(C#N)cn2)c(OC)c1 ZINC000563358027 306329742 /nfs/dbraw/zinc/32/97/42/306329742.db2.gz VQEYAFHYOZNCTK-UHFFFAOYSA-N 1 2 327.384 1.965 20 30 EDEDLO COc1ccc(C[N@@H+](CCO)Cc2ccc(C#N)cn2)c(OC)c1 ZINC000563358027 306329743 /nfs/dbraw/zinc/32/97/43/306329743.db2.gz VQEYAFHYOZNCTK-UHFFFAOYSA-N 1 2 327.384 1.965 20 30 EDEDLO COCCOC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083198471 138268804 /nfs/dbraw/zinc/26/88/04/138268804.db2.gz DZAHLFHSMQGAHS-HNNXBMFYSA-N 1 2 349.456 1.852 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000282338263 249529131 /nfs/dbraw/zinc/52/91/31/249529131.db2.gz QZCLNURMUHZUNH-HZSPNIEDSA-N 1 2 325.438 1.245 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000346246506 250042412 /nfs/dbraw/zinc/04/24/12/250042412.db2.gz TXLGSFVLTLURAF-UONOGXRCSA-N 1 2 334.464 1.564 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000346246506 250042417 /nfs/dbraw/zinc/04/24/17/250042417.db2.gz TXLGSFVLTLURAF-UONOGXRCSA-N 1 2 334.464 1.564 20 30 EDEDLO C[C@@H](C(=O)N[C@]1(C#N)CCOC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000358438245 250134018 /nfs/dbraw/zinc/13/40/18/250134018.db2.gz GHUMIBZIYCGZPQ-KSSFIOAISA-N 1 2 346.406 1.135 20 30 EDEDLO C=CCCCN(C)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361115769 250170731 /nfs/dbraw/zinc/17/07/31/250170731.db2.gz NVGFBWFIEATOQQ-CQSZACIVSA-N 1 2 333.436 1.519 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(OC)ccc2Cl)CC1 ZINC000361701436 250176726 /nfs/dbraw/zinc/17/67/26/250176726.db2.gz HILQSLIXDQSOJN-UHFFFAOYSA-N 1 2 337.851 1.768 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)C2([NH+]3CCOCC3)CCCC2)n1 ZINC000370498839 250207372 /nfs/dbraw/zinc/20/73/72/250207372.db2.gz JASMBJKYPLKBOS-UHFFFAOYSA-N 1 2 344.459 1.510 20 30 EDEDLO C#CCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000377299130 250288586 /nfs/dbraw/zinc/28/85/86/250288586.db2.gz ISCDPHWSBQVDIT-HNNXBMFYSA-N 1 2 333.413 1.461 20 30 EDEDLO N#CC1(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCOCC2)CCC1 ZINC000418144728 251342487 /nfs/dbraw/zinc/34/24/87/251342487.db2.gz VBIJKYBCOKSZMA-UHFFFAOYSA-N 1 2 349.456 1.491 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)CN(/C=C/c3ccccc3)C2=O)CC1 ZINC000490557122 255092137 /nfs/dbraw/zinc/09/21/37/255092137.db2.gz WWRSIPSPVMVGCT-CSKARUKUSA-N 1 2 338.411 1.130 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000490877110 255107908 /nfs/dbraw/zinc/10/79/08/255107908.db2.gz WKPBDXGGNOPFGG-ZDUSSCGKSA-N 1 2 332.404 1.148 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000490877110 255107911 /nfs/dbraw/zinc/10/79/11/255107911.db2.gz WKPBDXGGNOPFGG-ZDUSSCGKSA-N 1 2 332.404 1.148 20 30 EDEDLO C#C[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)cc1F ZINC000491665130 255137603 /nfs/dbraw/zinc/13/76/03/255137603.db2.gz UPXDFIPYUNHZCV-AWEZNQCLSA-N 1 2 335.766 1.341 20 30 EDEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(F)cc1 ZINC000491680441 255140179 /nfs/dbraw/zinc/14/01/79/255140179.db2.gz ZVGQFMCQPTZWJF-INIZCTEOSA-N 1 2 333.407 1.910 20 30 EDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(F)cc1 ZINC000491680441 255140180 /nfs/dbraw/zinc/14/01/80/255140180.db2.gz ZVGQFMCQPTZWJF-INIZCTEOSA-N 1 2 333.407 1.910 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000491702041 255143270 /nfs/dbraw/zinc/14/32/70/255143270.db2.gz XNTFLGOVYDEZJM-HZPDHXFCSA-N 1 2 334.851 1.559 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1ccc(Cl)cc1 ZINC000491702041 255143271 /nfs/dbraw/zinc/14/32/71/255143271.db2.gz XNTFLGOVYDEZJM-HZPDHXFCSA-N 1 2 334.851 1.559 20 30 EDEDLO C#CCN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000491728247 255145828 /nfs/dbraw/zinc/14/58/28/255145828.db2.gz AQNJNNCLTFNUMV-UHFFFAOYSA-N 1 2 341.455 1.233 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000492186792 255160743 /nfs/dbraw/zinc/16/07/43/255160743.db2.gz DLGNNFOAHDYYLT-OLZOCXBDSA-N 1 2 336.436 1.536 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000492186792 255160744 /nfs/dbraw/zinc/16/07/44/255160744.db2.gz DLGNNFOAHDYYLT-OLZOCXBDSA-N 1 2 336.436 1.536 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000491622024 255132602 /nfs/dbraw/zinc/13/26/02/255132602.db2.gz HANVPEFZCXNOOB-IUODEOHRSA-N 1 2 337.370 1.611 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494032656 255232230 /nfs/dbraw/zinc/23/22/30/255232230.db2.gz JPCMVGZUQMYWMC-UONOGXRCSA-N 1 2 334.420 1.244 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494032656 255232231 /nfs/dbraw/zinc/23/22/31/255232231.db2.gz JPCMVGZUQMYWMC-UONOGXRCSA-N 1 2 334.420 1.244 20 30 EDEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000495198187 255272796 /nfs/dbraw/zinc/27/27/96/255272796.db2.gz ZNNCWZRRQPMXTR-NVXWUHKLSA-N 1 2 331.416 1.241 20 30 EDEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000495198187 255272797 /nfs/dbraw/zinc/27/27/97/255272797.db2.gz ZNNCWZRRQPMXTR-NVXWUHKLSA-N 1 2 331.416 1.241 20 30 EDEDLO C=C[C@H](C)ONC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496154868 255358141 /nfs/dbraw/zinc/35/81/41/255358141.db2.gz YYDMGZACZAUTJN-STQMWFEESA-N 1 2 342.440 1.343 20 30 EDEDLO C=C[C@H](C)ONC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496154868 255358142 /nfs/dbraw/zinc/35/81/42/255358142.db2.gz YYDMGZACZAUTJN-STQMWFEESA-N 1 2 342.440 1.343 20 30 EDEDLO Cc1c[nH+]ccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000119162113 221257357 /nfs/dbraw/zinc/25/73/57/221257357.db2.gz NNKRDWSGXSQYDS-LBPRGKRZSA-N 1 2 344.396 1.567 20 30 EDEDLO N#Cc1nc(Nc2cnn(CC[NH+]3CCOCC3)c2)ccc1Cl ZINC000267178984 139587415 /nfs/dbraw/zinc/58/74/15/139587415.db2.gz DXVZJDIMNYXNRW-UHFFFAOYSA-N 1 2 332.795 1.879 20 30 EDEDLO Cn1cc(C[N@@H+]2CCCN(C(=O)c3cscc3C#N)CC2)cn1 ZINC000339992161 142226482 /nfs/dbraw/zinc/22/64/82/142226482.db2.gz AGNKTDZOAUEKFI-UHFFFAOYSA-N 1 2 329.429 1.701 20 30 EDEDLO Cn1cc(C[N@H+]2CCCN(C(=O)c3cscc3C#N)CC2)cn1 ZINC000339992161 142226485 /nfs/dbraw/zinc/22/64/85/142226485.db2.gz AGNKTDZOAUEKFI-UHFFFAOYSA-N 1 2 329.429 1.701 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCNC(=O)[C@@H]3Cc3ccccc3)n2c1 ZINC000346334216 143192951 /nfs/dbraw/zinc/19/29/51/143192951.db2.gz QBDFBLFXCFMBHZ-SFHVURJKSA-N 1 2 345.406 1.749 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000347977888 143386576 /nfs/dbraw/zinc/38/65/76/143386576.db2.gz SZJQPECHEVCPPL-TZMCWYRMSA-N 1 2 327.306 1.884 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000347977888 143386577 /nfs/dbraw/zinc/38/65/77/143386577.db2.gz SZJQPECHEVCPPL-TZMCWYRMSA-N 1 2 327.306 1.884 20 30 EDEDLO Cc1onc(CC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1C#N ZINC000354389010 149789541 /nfs/dbraw/zinc/78/95/41/149789541.db2.gz DCOXDVTWHSGMGV-UHFFFAOYSA-N 1 2 341.293 1.815 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000358113675 151275810 /nfs/dbraw/zinc/27/58/10/151275810.db2.gz DTFUOQHLNWLCMC-UHFFFAOYSA-N 1 2 342.378 1.463 20 30 EDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000361056318 152291031 /nfs/dbraw/zinc/29/10/31/152291031.db2.gz YOHKMPYANZETOA-GOSISDBHSA-N 1 2 337.427 1.915 20 30 EDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000361056318 152291032 /nfs/dbraw/zinc/29/10/32/152291032.db2.gz YOHKMPYANZETOA-GOSISDBHSA-N 1 2 337.427 1.915 20 30 EDEDLO CCn1cc(C[N@H+](CCO)CC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000361341337 152366929 /nfs/dbraw/zinc/36/69/29/152366929.db2.gz NWHVMEQLCQWOMM-UHFFFAOYSA-N 1 2 327.388 1.208 20 30 EDEDLO CCn1cc(C[N@@H+](CCO)CC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000361341337 152366930 /nfs/dbraw/zinc/36/69/30/152366930.db2.gz NWHVMEQLCQWOMM-UHFFFAOYSA-N 1 2 327.388 1.208 20 30 EDEDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)nn1 ZINC000371841272 156134587 /nfs/dbraw/zinc/13/45/87/156134587.db2.gz QIQZXFCIGZJFNM-CQSZACIVSA-N 1 2 329.335 1.522 20 30 EDEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)nn1 ZINC000371841272 156134588 /nfs/dbraw/zinc/13/45/88/156134588.db2.gz QIQZXFCIGZJFNM-CQSZACIVSA-N 1 2 329.335 1.522 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@]2(CCCOC2)O1 ZINC000373804065 157012899 /nfs/dbraw/zinc/01/28/99/157012899.db2.gz GIPPBUHBDDZKFH-DNVCBOLYSA-N 1 2 343.427 1.444 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@]2(CCCOC2)O1 ZINC000373804065 157012903 /nfs/dbraw/zinc/01/29/03/157012903.db2.gz GIPPBUHBDDZKFH-DNVCBOLYSA-N 1 2 343.427 1.444 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCc4ccccc4[C@@H]3C(N)=O)n2c1 ZINC000374308565 157237043 /nfs/dbraw/zinc/23/70/43/157237043.db2.gz KAKIMNGADUVXSZ-GOSISDBHSA-N 1 2 331.379 1.791 20 30 EDEDLO COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000451331579 269754061 /nfs/dbraw/zinc/75/40/61/269754061.db2.gz DZQBNMOCMXCSOC-HNNXBMFYSA-N 1 2 337.401 1.070 20 30 EDEDLO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000451331579 269754062 /nfs/dbraw/zinc/75/40/62/269754062.db2.gz DZQBNMOCMXCSOC-HNNXBMFYSA-N 1 2 337.401 1.070 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)OC3CCOCC3)CC2)cc1 ZINC000289931594 270010386 /nfs/dbraw/zinc/01/03/86/270010386.db2.gz UWUQSKUFEYZSCT-UHFFFAOYSA-N 1 2 329.400 1.991 20 30 EDEDLO Cc1nc(N(C)C)nc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000488388334 270014064 /nfs/dbraw/zinc/01/40/64/270014064.db2.gz RPDNKWFOQXFFTQ-UHFFFAOYSA-N 1 2 337.431 1.440 20 30 EDEDLO N#Cc1ccc(OCC[NH+]2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000528613618 270015746 /nfs/dbraw/zinc/01/57/46/270015746.db2.gz ZEIUXYJUNQXAQV-UHFFFAOYSA-N 1 2 335.429 1.047 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCOC2)O1 ZINC000280580808 267056571 /nfs/dbraw/zinc/05/65/71/267056571.db2.gz STWGDFVHFCEPCN-FZKQIMNGSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCOC2)O1 ZINC000280580808 267056573 /nfs/dbraw/zinc/05/65/73/267056573.db2.gz STWGDFVHFCEPCN-FZKQIMNGSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 ZINC000280636533 267060032 /nfs/dbraw/zinc/06/00/32/267060032.db2.gz XUWCNELEAUGAMT-DKSSEZFCSA-N 1 2 341.411 1.543 20 30 EDEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 ZINC000280636533 267060036 /nfs/dbraw/zinc/06/00/36/267060036.db2.gz XUWCNELEAUGAMT-DKSSEZFCSA-N 1 2 341.411 1.543 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000294327202 267079704 /nfs/dbraw/zinc/07/97/04/267079704.db2.gz SMKVLWHPJVTPIT-RDTXWAMCSA-N 1 2 342.443 1.559 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000292222498 267111433 /nfs/dbraw/zinc/11/14/33/267111433.db2.gz AHHGZHYLYBTROK-ZWNOBZJWSA-N 1 2 328.338 1.928 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000292222498 267111436 /nfs/dbraw/zinc/11/14/36/267111436.db2.gz AHHGZHYLYBTROK-ZWNOBZJWSA-N 1 2 328.338 1.928 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000360277109 267125543 /nfs/dbraw/zinc/12/55/43/267125543.db2.gz MIJSDVBAMFVRPS-INIZCTEOSA-N 1 2 340.427 1.736 20 30 EDEDLO CNS(=O)(=O)c1ccc([C@@H](C)Nc2cc(C)[nH+]cc2C#N)cc1 ZINC000425215801 267351456 /nfs/dbraw/zinc/35/14/56/267351456.db2.gz OOLRXJGAEGTOLJ-GFCCVEGCSA-N 1 2 330.413 1.765 20 30 EDEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cnn(C)c1 ZINC000530699815 267676183 /nfs/dbraw/zinc/67/61/83/267676183.db2.gz MWRXSTIAALUAOP-OAHLLOKOSA-N 1 2 337.427 1.740 20 30 EDEDLO COCc1noc([C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000272995163 267957144 /nfs/dbraw/zinc/95/71/44/267957144.db2.gz GIASONBIEQXJEV-CQSZACIVSA-N 1 2 341.415 1.966 20 30 EDEDLO Cc1cccc(S(=O)(=O)NCc2ccc(N(C)C)[nH+]c2)c1C#N ZINC000443103036 268055041 /nfs/dbraw/zinc/05/50/41/268055041.db2.gz KANNBFLJLYPQGO-UHFFFAOYSA-N 1 2 330.413 1.806 20 30 EDEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)Cc2ccc(C#N)cc2)cn1 ZINC000516776628 268127433 /nfs/dbraw/zinc/12/74/33/268127433.db2.gz BNZWNKDISSYEBC-UHFFFAOYSA-N 1 2 348.410 1.760 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496410953 268290988 /nfs/dbraw/zinc/29/09/88/268290988.db2.gz NLLAZMHJUAFVOD-GFCCVEGCSA-N 1 2 330.344 1.741 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496410953 268290990 /nfs/dbraw/zinc/29/09/90/268290990.db2.gz NLLAZMHJUAFVOD-GFCCVEGCSA-N 1 2 330.344 1.741 20 30 EDEDLO CCN(CCC#N)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000345424922 279173206 /nfs/dbraw/zinc/17/32/06/279173206.db2.gz HFWYCGMOKQMOAJ-YOEHRIQHSA-N 1 2 343.431 1.624 20 30 EDEDLO O=C([C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1)N1CCOCC1 ZINC000158161299 280082963 /nfs/dbraw/zinc/08/29/63/280082963.db2.gz RFAHSZSMIVFSKY-SFHVURJKSA-N 1 2 330.403 1.891 20 30 EDEDLO O=C([C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1)N1CCOCC1 ZINC000158161299 280082965 /nfs/dbraw/zinc/08/29/65/280082965.db2.gz RFAHSZSMIVFSKY-SFHVURJKSA-N 1 2 330.403 1.891 20 30 EDEDLO CC(C)[C@H](CNS(=O)(=O)c1ccccc1C#N)[NH+]1CCOCC1 ZINC000049736334 280254110 /nfs/dbraw/zinc/25/41/10/280254110.db2.gz WBSYOBDUQYHAHB-HNNXBMFYSA-N 1 2 337.445 1.193 20 30 EDEDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccccc1C#N ZINC000188315826 300248748 /nfs/dbraw/zinc/24/87/48/300248748.db2.gz HIUIDKCRDWILJD-ZDUSSCGKSA-N 1 2 337.445 1.024 20 30 EDEDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccccc1C#N ZINC000188315826 300248751 /nfs/dbraw/zinc/24/87/51/300248751.db2.gz HIUIDKCRDWILJD-ZDUSSCGKSA-N 1 2 337.445 1.024 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)NCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000171002025 302941268 /nfs/dbraw/zinc/94/12/68/302941268.db2.gz IBYYXJDEOOXBMZ-UHFFFAOYSA-N 1 2 342.378 1.426 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCO[C@]4(CCOC4)C3)C2=O)cc1 ZINC000185143887 303193864 /nfs/dbraw/zinc/19/38/64/303193864.db2.gz DWZOGSXTJPTSKY-PKOBYXMFSA-N 1 2 341.411 1.545 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCO[C@]4(CCOC4)C3)C2=O)cc1 ZINC000185143887 303193866 /nfs/dbraw/zinc/19/38/66/303193866.db2.gz DWZOGSXTJPTSKY-PKOBYXMFSA-N 1 2 341.411 1.545 20 30 EDEDLO N#Cc1cccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000245964348 303203307 /nfs/dbraw/zinc/20/33/07/303203307.db2.gz NBCWSEQDQZBSKW-IRXDYDNUSA-N 1 2 334.441 1.726 20 30 EDEDLO N#Cc1cccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000245964348 303203309 /nfs/dbraw/zinc/20/33/09/303203309.db2.gz NBCWSEQDQZBSKW-IRXDYDNUSA-N 1 2 334.441 1.726 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000426153321 447397332 /nfs/dbraw/zinc/39/73/32/447397332.db2.gz MAUPBQYJJXQVSA-UHFFFAOYSA-N 1 2 349.822 1.625 20 30 EDEDLO NS(=O)(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000378439031 447427042 /nfs/dbraw/zinc/42/70/42/447427042.db2.gz ZDQFEXUEKOZHLJ-AWEZNQCLSA-N 1 2 346.374 1.810 20 30 EDEDLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000378439031 447427052 /nfs/dbraw/zinc/42/70/52/447427052.db2.gz ZDQFEXUEKOZHLJ-AWEZNQCLSA-N 1 2 346.374 1.810 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)[C@]1(C#N)CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000378448496 447428608 /nfs/dbraw/zinc/42/86/08/447428608.db2.gz DNVWHVPCCSOKIO-RZQQEMMASA-N 1 2 341.455 1.911 20 30 EDEDLO C=CCNC(=O)CNC(=O)[C@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000378515675 447437138 /nfs/dbraw/zinc/43/71/38/447437138.db2.gz HDYHETVLAKSYNR-HNNXBMFYSA-N 1 2 338.411 1.531 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000046068785 441078327 /nfs/dbraw/zinc/07/83/27/441078327.db2.gz PXSZYHMDRJQBOZ-UHFFFAOYSA-N 1 2 341.455 1.574 20 30 EDEDLO C#CC[N@@H+](CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000104093290 441189192 /nfs/dbraw/zinc/18/91/92/441189192.db2.gz HHZWGNDWNBOSPG-OAHLLOKOSA-N 1 2 337.441 1.586 20 30 EDEDLO C#CC[N@H+](CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000104093290 441189197 /nfs/dbraw/zinc/18/91/97/441189197.db2.gz HHZWGNDWNBOSPG-OAHLLOKOSA-N 1 2 337.441 1.586 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(C)(C)C#N)CC2 ZINC000080363846 441163398 /nfs/dbraw/zinc/16/33/98/441163398.db2.gz IZKJAKAYMFFNGE-UHFFFAOYSA-N 1 2 331.416 1.728 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(C)(C)C#N)CC2 ZINC000080363846 441163402 /nfs/dbraw/zinc/16/34/02/441163402.db2.gz IZKJAKAYMFFNGE-UHFFFAOYSA-N 1 2 331.416 1.728 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047860065 441231302 /nfs/dbraw/zinc/23/13/02/441231302.db2.gz QUHPDHGUKOLKJZ-HNNXBMFYSA-N 1 2 327.432 1.476 20 30 EDEDLO CC(C)[C@@H](C)NC(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000048041610 441254617 /nfs/dbraw/zinc/25/46/17/441254617.db2.gz KTOIFGVFNOZUIQ-CQSZACIVSA-N 1 2 332.423 1.980 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000048057878 441254933 /nfs/dbraw/zinc/25/49/33/441254933.db2.gz HGQDPNWASGPYCG-GFCCVEGCSA-N 1 2 336.823 1.971 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000048057878 441254937 /nfs/dbraw/zinc/25/49/37/441254937.db2.gz HGQDPNWASGPYCG-GFCCVEGCSA-N 1 2 336.823 1.971 20 30 EDEDLO CCCCn1nnnc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000060994338 441263307 /nfs/dbraw/zinc/26/33/07/441263307.db2.gz NAHSDKDMPQBFOD-UHFFFAOYSA-N 1 2 339.447 1.663 20 30 EDEDLO Cn1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000081509165 441278942 /nfs/dbraw/zinc/27/89/42/441278942.db2.gz TXWYXDXMYGRBAH-UHFFFAOYSA-N 1 2 337.427 1.924 20 30 EDEDLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000073615390 441333356 /nfs/dbraw/zinc/33/33/56/441333356.db2.gz NIVOCDPVODIWEQ-CJNGLKHVSA-N 1 2 349.456 1.024 20 30 EDEDLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000073615390 441333360 /nfs/dbraw/zinc/33/33/60/441333360.db2.gz NIVOCDPVODIWEQ-CJNGLKHVSA-N 1 2 349.456 1.024 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073647717 441338691 /nfs/dbraw/zinc/33/86/91/441338691.db2.gz IDLPATYZXKIARE-INIZCTEOSA-N 1 2 339.443 1.664 20 30 EDEDLO N#Cc1csc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000084075463 441382363 /nfs/dbraw/zinc/38/23/63/441382363.db2.gz AEBDKVWVUKLMLF-UHFFFAOYSA-N 1 2 328.397 1.781 20 30 EDEDLO CC(=O)N(C)C1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083169400 441352237 /nfs/dbraw/zinc/35/22/37/441352237.db2.gz HTXVITVJDMDJSA-OAHLLOKOSA-N 1 2 346.456 1.668 20 30 EDEDLO Cc1cc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000064230326 441366250 /nfs/dbraw/zinc/36/62/50/441366250.db2.gz QRSSPFNMSBXWJL-UHFFFAOYSA-N 1 2 339.399 1.882 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000029891239 441477052 /nfs/dbraw/zinc/47/70/52/441477052.db2.gz LOONNNBSOFQDHN-KXBFYZLASA-N 1 2 346.475 1.332 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000030589689 441497699 /nfs/dbraw/zinc/49/76/99/441497699.db2.gz QVSJGXMPRFKEGQ-AWEZNQCLSA-N 1 2 325.409 1.601 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000030589689 441497700 /nfs/dbraw/zinc/49/77/00/441497700.db2.gz QVSJGXMPRFKEGQ-AWEZNQCLSA-N 1 2 325.409 1.601 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccncc3)n(C)c2=S)CC1 ZINC000029436322 441458895 /nfs/dbraw/zinc/45/88/95/441458895.db2.gz VRTWZRWMYVICIG-UHFFFAOYSA-N 1 2 328.445 1.221 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000029445045 441460097 /nfs/dbraw/zinc/46/00/97/441460097.db2.gz KKXSUVXNNYDWML-UHFFFAOYSA-N 1 2 326.356 1.655 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccncc3)CC2)cc1 ZINC000053509313 441527927 /nfs/dbraw/zinc/52/79/27/441527927.db2.gz GTRFOZNSJZVOMY-UHFFFAOYSA-N 1 2 335.411 1.981 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)CC1 ZINC000089200644 441528124 /nfs/dbraw/zinc/52/81/24/441528124.db2.gz VFICJXHMCYQOSU-UHFFFAOYSA-N 1 2 334.441 1.682 20 30 EDEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000054369159 441575323 /nfs/dbraw/zinc/57/53/23/441575323.db2.gz VUOROIQMHVOUID-HOTGVXAUSA-N 1 2 341.459 1.580 20 30 EDEDLO N#Cc1ccc(OCC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000054629235 441590055 /nfs/dbraw/zinc/59/00/55/441590055.db2.gz IBDMYUCUOLFQCK-UHFFFAOYSA-N 1 2 333.351 1.834 20 30 EDEDLO C[C@](C#N)(NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1)C1CC1 ZINC000034868284 441601956 /nfs/dbraw/zinc/60/19/56/441601956.db2.gz MOIGFSOHUSETNR-GOSISDBHSA-N 1 2 328.416 1.323 20 30 EDEDLO C[N@H+](CCN1CCOCC1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000114463772 441659455 /nfs/dbraw/zinc/65/94/55/441659455.db2.gz DNNHEQMMHWDSCS-UHFFFAOYSA-N 1 2 336.823 1.414 20 30 EDEDLO C[N@@H+](CCN1CCOCC1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000114463772 441659459 /nfs/dbraw/zinc/65/94/59/441659459.db2.gz DNNHEQMMHWDSCS-UHFFFAOYSA-N 1 2 336.823 1.414 20 30 EDEDLO CN(CC[NH+]1CCOCC1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000114463772 441659462 /nfs/dbraw/zinc/65/94/62/441659462.db2.gz DNNHEQMMHWDSCS-UHFFFAOYSA-N 1 2 336.823 1.414 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000042505568 441742671 /nfs/dbraw/zinc/74/26/71/441742671.db2.gz AZWLVXRQROGOPS-INIZCTEOSA-N 1 2 334.464 1.914 20 30 EDEDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000115595089 441762927 /nfs/dbraw/zinc/76/29/27/441762927.db2.gz HVMMGHSSLHHIMT-KRWDZBQOSA-N 1 2 325.368 1.892 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000121511845 441722907 /nfs/dbraw/zinc/72/29/07/441722907.db2.gz DWWFFPHGNFWMBI-OAHLLOKOSA-N 1 2 337.445 1.469 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000121511845 441722914 /nfs/dbraw/zinc/72/29/14/441722914.db2.gz DWWFFPHGNFWMBI-OAHLLOKOSA-N 1 2 337.445 1.469 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccccc2NC(C)=O)CC1 ZINC000122247453 441842447 /nfs/dbraw/zinc/84/24/47/441842447.db2.gz FFKRDONLXNFCMK-UHFFFAOYSA-N 1 2 330.432 1.065 20 30 EDEDLO COc1cc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1C ZINC000078263553 441912647 /nfs/dbraw/zinc/91/26/47/441912647.db2.gz GMLYUJGJPWWKJP-UHFFFAOYSA-N 1 2 345.443 1.621 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000077862510 441880564 /nfs/dbraw/zinc/88/05/64/441880564.db2.gz OWTKQAOSXXISMG-UHFFFAOYSA-N 1 2 345.443 1.882 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000161332428 441987506 /nfs/dbraw/zinc/98/75/06/441987506.db2.gz RYCSKSAYVVSORZ-UHFFFAOYSA-N 1 2 328.416 1.151 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000161332428 441987509 /nfs/dbraw/zinc/98/75/09/441987509.db2.gz RYCSKSAYVVSORZ-UHFFFAOYSA-N 1 2 328.416 1.151 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(OCC#N)cc1 ZINC000069769435 442034185 /nfs/dbraw/zinc/03/41/85/442034185.db2.gz WGZKHECLSROWEP-AWEZNQCLSA-N 1 2 332.404 1.109 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000151369350 442049681 /nfs/dbraw/zinc/04/96/81/442049681.db2.gz KLZSINFIMQWVJK-QGZVFWFLSA-N 1 2 335.363 1.681 20 30 EDEDLO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000163099005 442143590 /nfs/dbraw/zinc/14/35/90/442143590.db2.gz VPEHYYBQOGDURT-QGZVFWFLSA-N 1 2 325.416 1.733 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1Cl ZINC000126356454 442102379 /nfs/dbraw/zinc/10/23/79/442102379.db2.gz FADZLAVNTNMERX-UHFFFAOYSA-N 1 2 325.821 1.680 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000154137229 442323388 /nfs/dbraw/zinc/32/33/88/442323388.db2.gz WDYIHEGEWHFYLC-GFCCVEGCSA-N 1 2 335.404 1.815 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000154137229 442323391 /nfs/dbraw/zinc/32/33/91/442323391.db2.gz WDYIHEGEWHFYLC-GFCCVEGCSA-N 1 2 335.404 1.815 20 30 EDEDLO C#CCCCCNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000130566748 442349603 /nfs/dbraw/zinc/34/96/03/442349603.db2.gz OJDYYRKBAOFIRB-UHFFFAOYSA-N 1 2 336.461 1.233 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000155235522 442383327 /nfs/dbraw/zinc/38/33/27/442383327.db2.gz JWVJHUSOCNCLDN-QGZVFWFLSA-N 1 2 349.406 1.324 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000132485934 442393973 /nfs/dbraw/zinc/39/39/73/442393973.db2.gz FGHJWSFFRWPIFQ-UHFFFAOYSA-N 1 2 337.763 1.404 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2SC)CC1 ZINC000171976058 442395164 /nfs/dbraw/zinc/39/51/64/442395164.db2.gz IXBIPKOBHWBWEL-UHFFFAOYSA-N 1 2 345.468 1.306 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2SC)CC1 ZINC000171976058 442395167 /nfs/dbraw/zinc/39/51/67/442395167.db2.gz IXBIPKOBHWBWEL-UHFFFAOYSA-N 1 2 345.468 1.306 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(OCCCO)CC2)C1=O ZINC000154848942 442360861 /nfs/dbraw/zinc/36/08/61/442360861.db2.gz YAUQTPIFMSECRB-OAHLLOKOSA-N 1 2 349.456 1.588 20 30 EDEDLO CC(C)C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nc(-c2nc[nH]n2)no1 ZINC000191514630 442456095 /nfs/dbraw/zinc/45/60/95/442456095.db2.gz KORWMMHZNAYQHZ-CYBMUJFWSA-N 1 2 340.391 1.942 20 30 EDEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000191994798 442558932 /nfs/dbraw/zinc/55/89/32/442558932.db2.gz QBYCVUAAYKRFFS-GOSISDBHSA-N 1 2 343.471 1.197 20 30 EDEDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135104683 442556136 /nfs/dbraw/zinc/55/61/36/442556136.db2.gz SSGVQWNMGXKIDO-OAHLLOKOSA-N 1 2 329.400 1.351 20 30 EDEDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135104683 442556138 /nfs/dbraw/zinc/55/61/38/442556138.db2.gz SSGVQWNMGXKIDO-OAHLLOKOSA-N 1 2 329.400 1.351 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C)C[C@H]1C ZINC000172676460 442519779 /nfs/dbraw/zinc/51/97/79/442519779.db2.gz FALMRPRVRKGVJH-CQSZACIVSA-N 1 2 337.445 1.208 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C)C[C@H]1C ZINC000172676460 442519787 /nfs/dbraw/zinc/51/97/87/442519787.db2.gz FALMRPRVRKGVJH-CQSZACIVSA-N 1 2 337.445 1.208 20 30 EDEDLO C=CCNC(=O)CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000180391555 442593716 /nfs/dbraw/zinc/59/37/16/442593716.db2.gz NXZPPZGSQICZJQ-UHFFFAOYSA-N 1 2 341.415 1.075 20 30 EDEDLO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000157610718 442596510 /nfs/dbraw/zinc/59/65/10/442596510.db2.gz HUZJKQWKBKVECO-CQSZACIVSA-N 1 2 325.430 1.879 20 30 EDEDLO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000157610718 442596515 /nfs/dbraw/zinc/59/65/15/442596515.db2.gz HUZJKQWKBKVECO-CQSZACIVSA-N 1 2 325.430 1.879 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000192137745 442600969 /nfs/dbraw/zinc/60/09/69/442600969.db2.gz YXKAEWPTBFTRBT-SFHVURJKSA-N 1 2 337.427 1.762 20 30 EDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000192219176 442615496 /nfs/dbraw/zinc/61/54/96/442615496.db2.gz AIONLUFHDFYESW-VIFPVBQESA-N 1 2 327.306 1.112 20 30 EDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000192219176 442615501 /nfs/dbraw/zinc/61/55/01/442615501.db2.gz AIONLUFHDFYESW-VIFPVBQESA-N 1 2 327.306 1.112 20 30 EDEDLO C=CCCOCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000179334051 442624102 /nfs/dbraw/zinc/62/41/02/442624102.db2.gz XKTGETPQZBBLIU-SFHVURJKSA-N 1 2 347.459 1.952 20 30 EDEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccc(C#N)cc1F ZINC000180600796 442632376 /nfs/dbraw/zinc/63/23/76/442632376.db2.gz GULHRSDDPQHKOB-INIZCTEOSA-N 1 2 348.422 1.680 20 30 EDEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1ccc(C#N)cc1F ZINC000180600796 442632380 /nfs/dbraw/zinc/63/23/80/442632380.db2.gz GULHRSDDPQHKOB-INIZCTEOSA-N 1 2 348.422 1.680 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000181767525 442715562 /nfs/dbraw/zinc/71/55/62/442715562.db2.gz CFNASORCDLVFLV-OAHLLOKOSA-N 1 2 337.445 1.124 20 30 EDEDLO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)c(O)c3)cn2)CC1 ZINC000188247589 442728977 /nfs/dbraw/zinc/72/89/77/442728977.db2.gz IPAZZSYMTHZSBE-UHFFFAOYSA-N 1 2 337.383 1.663 20 30 EDEDLO C[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1CCO ZINC000188735939 442799225 /nfs/dbraw/zinc/79/92/25/442799225.db2.gz UQBQVGHXRHMSOV-AWEZNQCLSA-N 1 2 333.457 1.316 20 30 EDEDLO C[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@H+]1CCO ZINC000188735939 442799228 /nfs/dbraw/zinc/79/92/28/442799228.db2.gz UQBQVGHXRHMSOV-AWEZNQCLSA-N 1 2 333.457 1.316 20 30 EDEDLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000193875653 442803412 /nfs/dbraw/zinc/80/34/12/442803412.db2.gz LBKMRNVPBBBBPI-UHFFFAOYSA-N 1 2 343.836 1.164 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)NCC[NH+]2CCSCC2)c(F)c1 ZINC000268137350 442864934 /nfs/dbraw/zinc/86/49/34/442864934.db2.gz DNDLVWWKQBMBNU-UHFFFAOYSA-N 1 2 347.412 1.164 20 30 EDEDLO COc1cc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)ncn1 ZINC000184073228 442989666 /nfs/dbraw/zinc/98/96/66/442989666.db2.gz KIGSGWBNDHPRNB-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO C=CCNC(=O)c1ccc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)nc1 ZINC000266193401 443052953 /nfs/dbraw/zinc/05/29/53/443052953.db2.gz ZISTYKLGZTXPKC-QGZVFWFLSA-N 1 2 345.491 1.681 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1C#N ZINC000268660152 443067804 /nfs/dbraw/zinc/06/78/04/443067804.db2.gz XHUILWRQKWJOKR-TZMCWYRMSA-N 1 2 347.440 1.866 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1C#N ZINC000268660152 443067808 /nfs/dbraw/zinc/06/78/08/443067808.db2.gz XHUILWRQKWJOKR-TZMCWYRMSA-N 1 2 347.440 1.866 20 30 EDEDLO Cc1ccn2c(c1)nc(CO[NH+]=C(N)[C@H](C)OCC(C)C)cc2=O ZINC000266242008 443071115 /nfs/dbraw/zinc/07/11/15/443071115.db2.gz XKOCDBFGAYAJID-ZDUSSCGKSA-N 1 2 332.404 1.853 20 30 EDEDLO C#CCN(CC#C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000190417176 443103886 /nfs/dbraw/zinc/10/38/86/443103886.db2.gz HGFNXKRMXARVSG-UHFFFAOYSA-N 1 2 348.406 1.796 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000266378624 443111423 /nfs/dbraw/zinc/11/14/23/443111423.db2.gz HTIRKHFNEADMTR-CYBMUJFWSA-N 1 2 335.379 1.680 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000190770457 443180626 /nfs/dbraw/zinc/18/06/26/443180626.db2.gz YMEMFDXIDBREIF-OAHLLOKOSA-N 1 2 337.383 1.693 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCN1CC(F)F ZINC000245703588 443244619 /nfs/dbraw/zinc/24/46/19/443244619.db2.gz CTXCMPTWTFUNLV-CZUORRHYSA-N 1 2 330.423 1.702 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCN1CC(F)F ZINC000245703588 443244625 /nfs/dbraw/zinc/24/46/25/443244625.db2.gz CTXCMPTWTFUNLV-CZUORRHYSA-N 1 2 330.423 1.702 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000245551177 443236023 /nfs/dbraw/zinc/23/60/23/443236023.db2.gz AXOZLLHNHLCSBK-OKZBNKHCSA-N 1 2 348.491 1.322 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000245551177 443236027 /nfs/dbraw/zinc/23/60/27/443236027.db2.gz AXOZLLHNHLCSBK-OKZBNKHCSA-N 1 2 348.491 1.322 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245637127 443242429 /nfs/dbraw/zinc/24/24/29/443242429.db2.gz XHWLWKBAUYPASM-WMZOPIPTSA-N 1 2 329.444 1.938 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245637127 443242432 /nfs/dbraw/zinc/24/24/32/443242432.db2.gz XHWLWKBAUYPASM-WMZOPIPTSA-N 1 2 329.444 1.938 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)cc2C)CC1 ZINC000264124616 443251173 /nfs/dbraw/zinc/25/11/73/443251173.db2.gz FORCXYNNUPPJTD-UHFFFAOYSA-N 1 2 327.428 1.201 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)cc2C)CC1 ZINC000264124616 443251177 /nfs/dbraw/zinc/25/11/77/443251177.db2.gz FORCXYNNUPPJTD-UHFFFAOYSA-N 1 2 327.428 1.201 20 30 EDEDLO CCC[N@H+](CCO)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264229893 443255650 /nfs/dbraw/zinc/25/56/50/443255650.db2.gz RCXPIQDQACSSOC-CYBMUJFWSA-N 1 2 328.372 1.216 20 30 EDEDLO CCC[N@@H+](CCO)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264229893 443255655 /nfs/dbraw/zinc/25/56/55/443255655.db2.gz RCXPIQDQACSSOC-CYBMUJFWSA-N 1 2 328.372 1.216 20 30 EDEDLO COCC[N@H+](CCO)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000264311723 443260235 /nfs/dbraw/zinc/26/02/35/443260235.db2.gz YVWDPCGSGFKVCE-UHFFFAOYSA-N 1 2 333.432 1.491 20 30 EDEDLO COCC[N@@H+](CCO)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000264311723 443260239 /nfs/dbraw/zinc/26/02/39/443260239.db2.gz YVWDPCGSGFKVCE-UHFFFAOYSA-N 1 2 333.432 1.491 20 30 EDEDLO C=CCn1c([C@H](C)CC)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000282362595 443316879 /nfs/dbraw/zinc/31/68/79/443316879.db2.gz TVSIJTGNECQXAU-CQSZACIVSA-N 1 2 346.479 1.378 20 30 EDEDLO Cc1nc(CC[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)no1 ZINC000267049990 443324351 /nfs/dbraw/zinc/32/43/51/443324351.db2.gz GAGVYCZKRXCDOD-UHFFFAOYSA-N 1 2 334.401 1.198 20 30 EDEDLO Cc1nc(CC[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)no1 ZINC000267049990 443324355 /nfs/dbraw/zinc/32/43/55/443324355.db2.gz GAGVYCZKRXCDOD-UHFFFAOYSA-N 1 2 334.401 1.198 20 30 EDEDLO C#CCNC(=O)c1ccc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)nc1 ZINC000267235183 443388777 /nfs/dbraw/zinc/38/87/77/443388777.db2.gz QSACNXZKMDPOBK-CYBMUJFWSA-N 1 2 343.456 1.058 20 30 EDEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000278532547 443355105 /nfs/dbraw/zinc/35/51/05/443355105.db2.gz HUPFZBLEUFBCEH-CYBMUJFWSA-N 1 2 336.395 1.963 20 30 EDEDLO C#CCn1ccc(CN(CC)c2cc(N3CCC[C@@H]3CO)[nH+]cn2)n1 ZINC000278960699 443475328 /nfs/dbraw/zinc/47/53/28/443475328.db2.gz YDWJKQYSDHDLIT-MRXNPFEDSA-N 1 2 340.431 1.294 20 30 EDEDLO C#CCn1ccc(CN(CC)c2cc(N3CCC[C@@H]3CO)nc[nH+]2)n1 ZINC000278960699 443475330 /nfs/dbraw/zinc/47/53/30/443475330.db2.gz YDWJKQYSDHDLIT-MRXNPFEDSA-N 1 2 340.431 1.294 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000278973859 443478288 /nfs/dbraw/zinc/47/82/88/443478288.db2.gz HRGAOJMAARQYBF-SJLPKXTDSA-N 1 2 346.475 1.662 20 30 EDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000278842445 443458529 /nfs/dbraw/zinc/45/85/29/443458529.db2.gz VYOBPXKXPXXWED-UHFFFAOYSA-N 1 2 337.445 1.290 20 30 EDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000278842445 443458533 /nfs/dbraw/zinc/45/85/33/443458533.db2.gz VYOBPXKXPXXWED-UHFFFAOYSA-N 1 2 337.445 1.290 20 30 EDEDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)N(C)CCC#N ZINC000271570959 443506587 /nfs/dbraw/zinc/50/65/87/443506587.db2.gz PVDZIWDMMXCVQO-KRWDZBQOSA-N 1 2 329.400 1.521 20 30 EDEDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000271570959 443506591 /nfs/dbraw/zinc/50/65/91/443506591.db2.gz PVDZIWDMMXCVQO-KRWDZBQOSA-N 1 2 329.400 1.521 20 30 EDEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](CO)C2)sc2c1CCCC2 ZINC000267626137 443519009 /nfs/dbraw/zinc/51/90/09/443519009.db2.gz NOULSTJVLRMQFP-LBPRGKRZSA-N 1 2 349.456 1.520 20 30 EDEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@H](CO)C2)sc2c1CCCC2 ZINC000267626137 443519013 /nfs/dbraw/zinc/51/90/13/443519013.db2.gz NOULSTJVLRMQFP-LBPRGKRZSA-N 1 2 349.456 1.520 20 30 EDEDLO C=CCCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000279172261 443524313 /nfs/dbraw/zinc/52/43/13/443524313.db2.gz HFSHHOIQGKIWQO-UHFFFAOYSA-N 1 2 330.432 1.593 20 30 EDEDLO Cc1cc(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)nn1CCC#N ZINC000272112124 443530093 /nfs/dbraw/zinc/53/00/93/443530093.db2.gz QOAKAIWFBQHTJM-HIFRSBDPSA-N 1 2 346.435 1.290 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000265218184 443573322 /nfs/dbraw/zinc/57/33/22/443573322.db2.gz NOXXVDRUKDYELB-CQSZACIVSA-N 1 2 349.456 1.714 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000265218184 443573324 /nfs/dbraw/zinc/57/33/24/443573324.db2.gz NOXXVDRUKDYELB-CQSZACIVSA-N 1 2 349.456 1.714 20 30 EDEDLO C=CCN1CC[C@@H](O[NH+]=C(N)c2ccc(N3CCCCC3)nc2)C1=O ZINC000283552820 443659707 /nfs/dbraw/zinc/65/97/07/443659707.db2.gz OJYUDJXWORQVIT-OAHLLOKOSA-N 1 2 343.431 1.496 20 30 EDEDLO C#CCCCC(=O)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCOCC2)C1 ZINC000286461632 443711746 /nfs/dbraw/zinc/71/17/46/443711746.db2.gz KFUXVROJLQGVMI-MRXNPFEDSA-N 1 2 344.459 1.751 20 30 EDEDLO C#CCNc1nc(N2CCSCC2)nc(N2CCSCC2)[nH+]1 ZINC000286515688 443714779 /nfs/dbraw/zinc/71/47/79/443714779.db2.gz XBPIIGVRFWKPTL-UHFFFAOYSA-N 1 2 336.490 1.023 20 30 EDEDLO C#CCNc1nc(N2CCSCC2)[nH+]c(N2CCSCC2)n1 ZINC000286515688 443714787 /nfs/dbraw/zinc/71/47/87/443714787.db2.gz XBPIIGVRFWKPTL-UHFFFAOYSA-N 1 2 336.490 1.023 20 30 EDEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)o1)c1ccsc1 ZINC000286538695 443715648 /nfs/dbraw/zinc/71/56/48/443715648.db2.gz GXZJLQWOCNBBLJ-GFCCVEGCSA-N 1 2 325.415 1.794 20 30 EDEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000283792797 443721392 /nfs/dbraw/zinc/72/13/92/443721392.db2.gz GWUNTUVSLAZKTE-CQSZACIVSA-N 1 2 330.388 1.238 20 30 EDEDLO CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)Cn2cc[nH+]c2)C1=O ZINC000280758443 443743755 /nfs/dbraw/zinc/74/37/55/443743755.db2.gz LQMICBLVTNGEQK-MRXNPFEDSA-N 1 2 335.408 1.585 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284713274 443785437 /nfs/dbraw/zinc/78/54/37/443785437.db2.gz VDYIQGQLNMHKQJ-GOEBONIOSA-N 1 2 330.388 1.504 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284713274 443785440 /nfs/dbraw/zinc/78/54/40/443785440.db2.gz VDYIQGQLNMHKQJ-GOEBONIOSA-N 1 2 330.388 1.504 20 30 EDEDLO Cc1nsc(N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)c1C#N ZINC000291133384 443750312 /nfs/dbraw/zinc/75/03/12/443750312.db2.gz OIYSYTSYTSSENU-UHFFFAOYSA-N 1 2 344.444 1.338 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284518975 443777599 /nfs/dbraw/zinc/77/75/99/443777599.db2.gz RBTZDFNWUORFTD-UHFFFAOYSA-N 1 2 330.432 1.723 20 30 EDEDLO CO/N=C/c1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1 ZINC000292779206 443841242 /nfs/dbraw/zinc/84/12/42/443841242.db2.gz SSLZGKBYWTXYRQ-RXRMRXHHSA-N 1 2 331.416 1.602 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC)c(OC)c2)C1=O ZINC000281249935 443859385 /nfs/dbraw/zinc/85/93/85/443859385.db2.gz GUWKTPTZNWLBSW-AWEZNQCLSA-N 1 2 347.415 1.361 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(OC)c(OC)c2)C1=O ZINC000281249935 443859388 /nfs/dbraw/zinc/85/93/88/443859388.db2.gz GUWKTPTZNWLBSW-AWEZNQCLSA-N 1 2 347.415 1.361 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000292879611 443868221 /nfs/dbraw/zinc/86/82/21/443868221.db2.gz DXDUZAVTYBKYIS-GOSISDBHSA-N 1 2 343.471 1.844 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C(=O)NC2CC2)c2ccccc2)C1=O ZINC000281282846 443868227 /nfs/dbraw/zinc/86/82/27/443868227.db2.gz IVOJPKHJTWCTCN-SJORKVTESA-N 1 2 327.428 1.725 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C(=O)NC2CC2)c2ccccc2)C1=O ZINC000281282846 443868232 /nfs/dbraw/zinc/86/82/32/443868232.db2.gz IVOJPKHJTWCTCN-SJORKVTESA-N 1 2 327.428 1.725 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000292879611 443868225 /nfs/dbraw/zinc/86/82/25/443868225.db2.gz DXDUZAVTYBKYIS-GOSISDBHSA-N 1 2 343.471 1.844 20 30 EDEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000293213377 443953322 /nfs/dbraw/zinc/95/33/22/443953322.db2.gz RIXPJVRJINUVEN-OAHLLOKOSA-N 1 2 329.444 1.990 20 30 EDEDLO CC#CC[N@H+](C)[C@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000293213377 443953324 /nfs/dbraw/zinc/95/33/24/443953324.db2.gz RIXPJVRJINUVEN-OAHLLOKOSA-N 1 2 329.444 1.990 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2cc(C#N)cs2)C1=O ZINC000541227110 320769238 /nfs/dbraw/zinc/76/92/38/320769238.db2.gz JXTSBGDLPUTTKT-GFCCVEGCSA-N 1 2 343.412 1.274 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O ZINC000281460552 443918125 /nfs/dbraw/zinc/91/81/25/443918125.db2.gz VHIFSZWWGHFTDO-WFASDCNBSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O ZINC000281460552 443918128 /nfs/dbraw/zinc/91/81/28/443918128.db2.gz VHIFSZWWGHFTDO-WFASDCNBSA-N 1 2 346.387 1.641 20 30 EDEDLO Cc1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C)c[nH+]1 ZINC000545512437 320802129 /nfs/dbraw/zinc/80/21/29/320802129.db2.gz WPFIZPVDUXJGDI-UHFFFAOYSA-N 1 2 336.399 1.741 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)C1=O ZINC000281875935 444029313 /nfs/dbraw/zinc/02/93/13/444029313.db2.gz CONBGEGKWICCLZ-CABCVRRESA-N 1 2 329.448 1.928 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)C1=O ZINC000281875935 444029314 /nfs/dbraw/zinc/02/93/14/444029314.db2.gz CONBGEGKWICCLZ-CABCVRRESA-N 1 2 329.448 1.928 20 30 EDEDLO C=CCN1CC[C@@H](N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000282033465 444068700 /nfs/dbraw/zinc/06/87/00/444068700.db2.gz QGVOHXVPLDCENR-LJQANCHMSA-N 1 2 342.487 1.527 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](CC)CC(=O)Nc2cccc(OC)c2)C1=O ZINC000282084225 444082264 /nfs/dbraw/zinc/08/22/64/444082264.db2.gz USFYPNVIKJXGOW-INIZCTEOSA-N 1 2 331.416 1.743 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](CC)CC(=O)Nc2cccc(OC)c2)C1=O ZINC000282084225 444082270 /nfs/dbraw/zinc/08/22/70/444082270.db2.gz USFYPNVIKJXGOW-INIZCTEOSA-N 1 2 331.416 1.743 20 30 EDEDLO COc1ccc(N2CC[NH+](CCNC(=O)CSCC#N)CC2)cc1 ZINC000299500830 444064198 /nfs/dbraw/zinc/06/41/98/444064198.db2.gz MODFVCAOBFBLTN-UHFFFAOYSA-N 1 2 348.472 1.190 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000299597749 444090456 /nfs/dbraw/zinc/09/04/56/444090456.db2.gz DZQSEOCTWGMBCD-QWHCGFSZSA-N 1 2 349.435 1.773 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000299597749 444090461 /nfs/dbraw/zinc/09/04/61/444090461.db2.gz DZQSEOCTWGMBCD-QWHCGFSZSA-N 1 2 349.435 1.773 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000294142517 444103913 /nfs/dbraw/zinc/10/39/13/444103913.db2.gz HBCOEEUZKBKSJZ-SJORKVTESA-N 1 2 328.416 1.169 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000294142517 444103917 /nfs/dbraw/zinc/10/39/17/444103917.db2.gz HBCOEEUZKBKSJZ-SJORKVTESA-N 1 2 328.416 1.169 20 30 EDEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000282301304 444141913 /nfs/dbraw/zinc/14/19/13/444141913.db2.gz OTLXRCJXZAUGHV-UHFFFAOYSA-N 1 2 344.463 1.086 20 30 EDEDLO C#CC[C@]1(C(=O)NCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000289373107 444122630 /nfs/dbraw/zinc/12/26/30/444122630.db2.gz ZYKFUVDUZSPKMM-GOSISDBHSA-N 1 2 346.431 1.792 20 30 EDEDLO C#CC[NH+]1CCN(c2nc3ccccc3nc2N2CCOCC2)CC1 ZINC000301894744 444195940 /nfs/dbraw/zinc/19/59/40/444195940.db2.gz SZEPMJWSIQXQGO-UHFFFAOYSA-N 1 2 337.427 1.222 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290002650 444229581 /nfs/dbraw/zinc/22/95/81/444229581.db2.gz TWMXUNRGPXZAAT-CMPLNLGQSA-N 1 2 325.800 1.184 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290002650 444229582 /nfs/dbraw/zinc/22/95/82/444229582.db2.gz TWMXUNRGPXZAAT-CMPLNLGQSA-N 1 2 325.800 1.184 20 30 EDEDLO C[C@H](c1ccncc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290083287 444239851 /nfs/dbraw/zinc/23/98/51/444239851.db2.gz WSGUFQKSSDRJAY-CYBMUJFWSA-N 1 2 330.413 1.815 20 30 EDEDLO C[C@H](c1ccncc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290083287 444239852 /nfs/dbraw/zinc/23/98/52/444239852.db2.gz WSGUFQKSSDRJAY-CYBMUJFWSA-N 1 2 330.413 1.815 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000290712061 444314068 /nfs/dbraw/zinc/31/40/68/444314068.db2.gz KJGOJDKGEPFTDN-LJQANCHMSA-N 1 2 345.443 1.616 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330990463 444349479 /nfs/dbraw/zinc/34/94/79/444349479.db2.gz MPENWCNFHJXQCS-GUYCJALGSA-N 1 2 337.468 1.361 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CCSC[C@H]2CCO)c(C#N)c1C ZINC000330999885 444353875 /nfs/dbraw/zinc/35/38/75/444353875.db2.gz VUJSEPZKXANDQW-GFCCVEGCSA-N 1 2 339.486 1.975 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CCSC[C@H]2CCO)c(C#N)c1C ZINC000330999885 444353881 /nfs/dbraw/zinc/35/38/81/444353881.db2.gz VUJSEPZKXANDQW-GFCCVEGCSA-N 1 2 339.486 1.975 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000340090627 444360630 /nfs/dbraw/zinc/36/06/30/444360630.db2.gz BNHGORZJJKSBNF-UHFFFAOYSA-N 1 2 344.459 1.969 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000340103610 444361270 /nfs/dbraw/zinc/36/12/70/444361270.db2.gz TZGUXSDMTXODEX-UHFFFAOYSA-N 1 2 330.432 1.723 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccc(CC#N)cc2)no1 ZINC000340135426 444364600 /nfs/dbraw/zinc/36/46/00/444364600.db2.gz SDQDODIWLNVOMO-UHFFFAOYSA-N 1 2 327.388 1.862 20 30 EDEDLO Cn1ccc(N2CCC[C@@H](NC(=O)CCc3c[nH+]cn3C)C2=O)n1 ZINC000328844649 444371569 /nfs/dbraw/zinc/37/15/69/444371569.db2.gz PYTVCZLQVRUYBS-CYBMUJFWSA-N 1 2 330.392 1.238 20 30 EDEDLO C#Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCN(CC)CC3)C2)cc1 ZINC000297738384 444326852 /nfs/dbraw/zinc/32/68/52/444326852.db2.gz UHDQWBSQCHVFCI-IBGZPJMESA-N 1 2 340.471 1.589 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000337792124 444409955 /nfs/dbraw/zinc/40/99/55/444409955.db2.gz DLSBKXZMMIUZMU-OAHLLOKOSA-N 1 2 336.461 1.283 20 30 EDEDLO COCc1csc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000328940966 444413503 /nfs/dbraw/zinc/41/35/03/444413503.db2.gz FEVMCDVVDHOTGR-NEPJUHHUSA-N 1 2 326.422 1.240 20 30 EDEDLO COCc1csc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000328940966 444413507 /nfs/dbraw/zinc/41/35/07/444413507.db2.gz FEVMCDVVDHOTGR-NEPJUHHUSA-N 1 2 326.422 1.240 20 30 EDEDLO Cc1c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)sc2nccn12 ZINC000328653634 444415914 /nfs/dbraw/zinc/41/59/14/444415914.db2.gz CHIMOXFMRAEZKV-OAHLLOKOSA-N 1 2 338.433 1.092 20 30 EDEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000328859048 444377398 /nfs/dbraw/zinc/37/73/98/444377398.db2.gz ABJNJGULGLANLP-LLVKDONJSA-N 1 2 346.343 1.122 20 30 EDEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000328859048 444377405 /nfs/dbraw/zinc/37/74/05/444377405.db2.gz ABJNJGULGLANLP-LLVKDONJSA-N 1 2 346.343 1.122 20 30 EDEDLO CCN1CCN(C(=O)c2cc(C#N)cn2C)C[C@@H]1c1[nH+]ccn1C ZINC000328619100 444396331 /nfs/dbraw/zinc/39/63/31/444396331.db2.gz FLDDQIJGOLFRAS-OAHLLOKOSA-N 1 2 326.404 1.149 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2nccn2-c2ccccc2)C1 ZINC000328739135 444445894 /nfs/dbraw/zinc/44/58/94/444445894.db2.gz LCCVIITWWYKRPQ-HNNXBMFYSA-N 1 2 328.420 1.444 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2nccn2-c2ccccc2)C1 ZINC000328739135 444445895 /nfs/dbraw/zinc/44/58/95/444445895.db2.gz LCCVIITWWYKRPQ-HNNXBMFYSA-N 1 2 328.420 1.444 20 30 EDEDLO CC(C)(CC#N)CS(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000331320315 444465164 /nfs/dbraw/zinc/46/51/64/444465164.db2.gz KOTAFZMRBYFADS-UHFFFAOYSA-N 1 2 336.461 1.910 20 30 EDEDLO CCOC1CC(CNC(=O)N[C@@H]2CCC[C@@H]2C)([NH+]2CCOCC2)C1 ZINC000328682550 444427718 /nfs/dbraw/zinc/42/77/18/444427718.db2.gz VRKNOEWMGXEFOL-UERKLNTKSA-N 1 2 339.480 1.949 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)c1coc(C2CCOCC2)n1)[NH+]1CCOCC1 ZINC000328680409 444427964 /nfs/dbraw/zinc/42/79/64/444427964.db2.gz NQNDQLFVQYKNOB-QWHCGFSZSA-N 1 2 337.420 1.982 20 30 EDEDLO Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CC[NH+](C)CC2)CCCC1 ZINC000328701434 444435098 /nfs/dbraw/zinc/43/50/98/444435098.db2.gz WRQIYYOPFSQSLV-UHFFFAOYSA-N 1 2 347.463 1.428 20 30 EDEDLO CCn1cc[nH+]c1[C@H](NC(=O)Nc1nncs1)C1CCOCC1 ZINC000329007719 444443271 /nfs/dbraw/zinc/44/32/71/444443271.db2.gz YLBGGKGEVBFRJH-LLVKDONJSA-N 1 2 336.421 2.248 20 30 EDEDLO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1=O ZINC000331589682 444479012 /nfs/dbraw/zinc/47/90/12/444479012.db2.gz NSKWGOWEYBGOOV-RTXFEEFZSA-N 1 2 333.413 1.922 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000329132543 444480081 /nfs/dbraw/zinc/48/00/81/444480081.db2.gz YLGFJTAAEBPMJR-QGZVFWFLSA-N 1 2 332.448 1.581 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000329132543 444480083 /nfs/dbraw/zinc/48/00/83/444480083.db2.gz YLGFJTAAEBPMJR-QGZVFWFLSA-N 1 2 332.448 1.581 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2ncnn2C1)N1CCC(Cc2ccc[nH+]c2)CC1 ZINC000329136087 444481241 /nfs/dbraw/zinc/48/12/41/444481241.db2.gz GQBYCYVFDSOMMA-MRXNPFEDSA-N 1 2 340.431 1.857 20 30 EDEDLO C[C@@H]1CN(C(=O)[C@H](C#N)CCc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000331696166 444482739 /nfs/dbraw/zinc/48/27/39/444482739.db2.gz USXOHGCXISQKNW-NEWSRXKRSA-N 1 2 341.455 1.938 20 30 EDEDLO O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)N1CCn2cc[nH+]c2C1 ZINC000329179086 444493512 /nfs/dbraw/zinc/49/35/12/444493512.db2.gz NSJPZGOHEPLXBZ-ZDUSSCGKSA-N 1 2 331.420 1.546 20 30 EDEDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000580392795 322043705 /nfs/dbraw/zinc/04/37/05/322043705.db2.gz ODGANFDDNMSXFT-OAHLLOKOSA-N 1 2 341.459 1.913 20 30 EDEDLO CCOC(=O)C1(O)CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000580452323 322054427 /nfs/dbraw/zinc/05/44/27/322054427.db2.gz XREVWJMVFRTFBR-UHFFFAOYSA-N 1 2 333.344 1.356 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@]3(CCCOC3)C1)CCC2 ZINC000329234195 444507903 /nfs/dbraw/zinc/50/79/03/444507903.db2.gz MPPIOLAKKIYLCR-MAUKXSAKSA-N 1 2 348.447 1.864 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329235498 444508589 /nfs/dbraw/zinc/50/85/89/444508589.db2.gz NPFAUWCWYZTXOF-HZMVEIRTSA-N 1 2 337.464 1.677 20 30 EDEDLO CCN1CCN(C(=O)Nc2ncc(OC)s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329237123 444509554 /nfs/dbraw/zinc/50/95/54/444509554.db2.gz JZWKMZXQJFQDNY-SNVBAGLBSA-N 1 2 336.421 1.799 20 30 EDEDLO Cc1nnc([C@H](C)NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)s1 ZINC000329242589 444510539 /nfs/dbraw/zinc/51/05/39/444510539.db2.gz SKZCTYZJFLLOMF-GMXVVIOVSA-N 1 2 339.465 1.617 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCSCC3)ccn2)CC1 ZINC000329300650 444526221 /nfs/dbraw/zinc/52/62/21/444526221.db2.gz VSHVBDJOGRACLI-UHFFFAOYSA-N 1 2 349.460 1.064 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)C2(C#N)CCCC2)C1 ZINC000332698040 444528927 /nfs/dbraw/zinc/52/89/27/444528927.db2.gz WUKQMWVXUBXSCR-QGZVFWFLSA-N 1 2 335.448 1.993 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000329316462 444531579 /nfs/dbraw/zinc/53/15/79/444531579.db2.gz DZHOYULKUSAKAI-JTNHKYCSSA-N 1 2 325.359 1.655 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000329316462 444531585 /nfs/dbraw/zinc/53/15/85/444531585.db2.gz DZHOYULKUSAKAI-JTNHKYCSSA-N 1 2 325.359 1.655 20 30 EDEDLO N#CCNC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000343745732 444561699 /nfs/dbraw/zinc/56/16/99/444561699.db2.gz SECBUMNMLDHIJB-MFKMUULPSA-N 1 2 327.306 1.453 20 30 EDEDLO N#CCNC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000343745732 444561703 /nfs/dbraw/zinc/56/17/03/444561703.db2.gz SECBUMNMLDHIJB-MFKMUULPSA-N 1 2 327.306 1.453 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000340911170 444571946 /nfs/dbraw/zinc/57/19/46/444571946.db2.gz OVJGWINEGYGLAG-SWLSCSKDSA-N 1 2 348.447 1.407 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000340911170 444571949 /nfs/dbraw/zinc/57/19/49/444571949.db2.gz OVJGWINEGYGLAG-SWLSCSKDSA-N 1 2 348.447 1.407 20 30 EDEDLO CC#CCN(C)C(=O)[C@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000341012252 444631429 /nfs/dbraw/zinc/63/14/29/444631429.db2.gz WZOQJZCIQBJCKB-WMLDXEAASA-N 1 2 330.432 1.592 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329467757 444592093 /nfs/dbraw/zinc/59/20/93/444592093.db2.gz WKORUKQKVLSUDP-AEFFLSMTSA-N 1 2 342.443 1.338 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329467757 444592096 /nfs/dbraw/zinc/59/20/96/444592096.db2.gz WKORUKQKVLSUDP-AEFFLSMTSA-N 1 2 342.443 1.338 20 30 EDEDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329469427 444593166 /nfs/dbraw/zinc/59/31/66/444593166.db2.gz YAMWYDCPZZXCHG-SAYFZHNOSA-N 1 2 330.432 1.989 20 30 EDEDLO O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000329654491 444667660 /nfs/dbraw/zinc/66/76/60/444667660.db2.gz FHUIDMPGCQOXKL-UONOGXRCSA-N 1 2 344.477 1.005 20 30 EDEDLO CC1(C)CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCS1(=O)=O ZINC000329757741 444704742 /nfs/dbraw/zinc/70/47/42/444704742.db2.gz ZOGXKLKJICZPPO-LLVKDONJSA-N 1 2 340.449 1.080 20 30 EDEDLO CC1(C)CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCS1(=O)=O ZINC000329757741 444704745 /nfs/dbraw/zinc/70/47/45/444704745.db2.gz ZOGXKLKJICZPPO-LLVKDONJSA-N 1 2 340.449 1.080 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N1CCC[C@]2(CNC(=O)C2)C1)[NH+]1CCOCC1 ZINC000329785786 444715979 /nfs/dbraw/zinc/71/59/79/444715979.db2.gz XGUQLJYUKBUTAA-VBQJREDUSA-N 1 2 338.452 1.452 20 30 EDEDLO O=C(NCCc1cn2c(n1)SCC2)C1([NH+]2CCOCC2)CCC1 ZINC000329810594 444725224 /nfs/dbraw/zinc/72/52/24/444725224.db2.gz QVSIATDXPZOJQE-UHFFFAOYSA-N 1 2 336.461 1.743 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(O)(C(F)(F)F)CC1 ZINC000329728542 444695244 /nfs/dbraw/zinc/69/52/44/444695244.db2.gz HGDYSAHTVISPTG-SECBINFHSA-N 1 2 332.326 1.570 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(O)(C(F)(F)F)CC1 ZINC000329728542 444695248 /nfs/dbraw/zinc/69/52/48/444695248.db2.gz HGDYSAHTVISPTG-SECBINFHSA-N 1 2 332.326 1.570 20 30 EDEDLO [O-]C(=[NH+]C1CCN(CC(F)(F)F)CC1)N1CCn2cc[nH+]c2C1 ZINC000329850373 444739568 /nfs/dbraw/zinc/73/95/68/444739568.db2.gz QFGYUFLEOLBAEC-UHFFFAOYSA-N 1 2 331.342 1.639 20 30 EDEDLO CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000329874635 444749071 /nfs/dbraw/zinc/74/90/71/444749071.db2.gz FVLYZUGDNOCWDZ-MRXNPFEDSA-N 1 2 347.463 1.600 20 30 EDEDLO COc1ccc(Cl)cc1NC(=O)CN1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329952885 444784139 /nfs/dbraw/zinc/78/41/39/444784139.db2.gz JAUKFZBCZHKYMH-UKRRQHHQSA-N 1 2 339.823 1.951 20 30 EDEDLO COc1ccc(Cl)cc1NC(=O)CN1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329952885 444784141 /nfs/dbraw/zinc/78/41/41/444784141.db2.gz JAUKFZBCZHKYMH-UKRRQHHQSA-N 1 2 339.823 1.951 20 30 EDEDLO O=C(CN1CCn2ncnc2C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000329910649 444764461 /nfs/dbraw/zinc/76/44/61/444764461.db2.gz ABRLGTJRCHUCRM-UHFFFAOYSA-N 1 2 347.448 1.434 20 30 EDEDLO CN1CCOc2ccc(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cc21 ZINC000329936509 444776915 /nfs/dbraw/zinc/77/69/15/444776915.db2.gz RPVWLTBVOLBEHK-HOCLYGCPSA-N 1 2 332.404 1.076 20 30 EDEDLO CN1CCOc2ccc(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc21 ZINC000329936509 444776921 /nfs/dbraw/zinc/77/69/21/444776921.db2.gz RPVWLTBVOLBEHK-HOCLYGCPSA-N 1 2 332.404 1.076 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338623766 444779132 /nfs/dbraw/zinc/77/91/32/444779132.db2.gz CXRPMOLNFNHHKW-OBKBAYEDSA-N 1 2 325.428 1.712 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338623766 444779135 /nfs/dbraw/zinc/77/91/35/444779135.db2.gz CXRPMOLNFNHHKW-OBKBAYEDSA-N 1 2 325.428 1.712 20 30 EDEDLO NC(=O)N1CCC[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000329951456 444783247 /nfs/dbraw/zinc/78/32/47/444783247.db2.gz IGKZMYNXQZRUKD-SWLSCSKDSA-N 1 2 342.465 1.108 20 30 EDEDLO Cc1cc(NC(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)no1 ZINC000344122782 444793058 /nfs/dbraw/zinc/79/30/58/444793058.db2.gz DZWPXIAWFBIKQI-UHFFFAOYSA-N 1 2 328.372 1.942 20 30 EDEDLO Cc1cc(NC(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)no1 ZINC000344122782 444793062 /nfs/dbraw/zinc/79/30/62/444793062.db2.gz DZWPXIAWFBIKQI-UHFFFAOYSA-N 1 2 328.372 1.942 20 30 EDEDLO CC(=O)N1CCC(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000329973468 444794729 /nfs/dbraw/zinc/79/47/29/444794729.db2.gz YQLANFHQPJKVHV-BBRMVZONSA-N 1 2 333.436 1.691 20 30 EDEDLO CC(=O)N1CCC([NH+]=C([O-])N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000329973468 444794732 /nfs/dbraw/zinc/79/47/32/444794732.db2.gz YQLANFHQPJKVHV-BBRMVZONSA-N 1 2 333.436 1.691 20 30 EDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344114704 444787992 /nfs/dbraw/zinc/78/79/92/444787992.db2.gz MWNCAWITQYVGTN-UHFFFAOYSA-N 1 2 341.415 1.985 20 30 EDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344114704 444787997 /nfs/dbraw/zinc/78/79/97/444787997.db2.gz MWNCAWITQYVGTN-UHFFFAOYSA-N 1 2 341.415 1.985 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)n2cnc(C#N)n2)c1C ZINC000336927450 444857382 /nfs/dbraw/zinc/85/73/82/444857382.db2.gz WPEYBSPSLHNHPU-LBPRGKRZSA-N 1 2 328.376 1.390 20 30 EDEDLO CC(C)CN1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)[C@H](C)C1=O ZINC000330201339 444885586 /nfs/dbraw/zinc/88/55/86/444885586.db2.gz XQEIAJLPTGDDIB-CABCVRRESA-N 1 2 347.463 1.863 20 30 EDEDLO Cc1cc(C)nc(N2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)n1 ZINC000341566367 444898362 /nfs/dbraw/zinc/89/83/62/444898362.db2.gz PXPKJYGDZZPTDR-UHFFFAOYSA-N 1 2 347.426 1.935 20 30 EDEDLO Cc1cc(C)nc(N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)n1 ZINC000341566367 444898368 /nfs/dbraw/zinc/89/83/68/444898368.db2.gz PXPKJYGDZZPTDR-UHFFFAOYSA-N 1 2 347.426 1.935 20 30 EDEDLO COc1ccc(NC(=O)CN2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(OC)c1 ZINC000330242154 444903262 /nfs/dbraw/zinc/90/32/62/444903262.db2.gz CASHRDNWXRMDHH-GOEBONIOSA-N 1 2 335.404 1.307 20 30 EDEDLO COc1ccc(NC(=O)CN2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(OC)c1 ZINC000330242154 444903265 /nfs/dbraw/zinc/90/32/65/444903265.db2.gz CASHRDNWXRMDHH-GOEBONIOSA-N 1 2 335.404 1.307 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330343968 444945188 /nfs/dbraw/zinc/94/51/88/444945188.db2.gz CLMGSQHVDAMUTR-NXHRZFHOSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330343968 444945189 /nfs/dbraw/zinc/94/51/89/444945189.db2.gz CLMGSQHVDAMUTR-NXHRZFHOSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330343968 444945191 /nfs/dbraw/zinc/94/51/91/444945191.db2.gz CLMGSQHVDAMUTR-NXHRZFHOSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330343968 444945194 /nfs/dbraw/zinc/94/51/94/444945194.db2.gz CLMGSQHVDAMUTR-NXHRZFHOSA-N 1 2 342.443 1.337 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)CCC2 ZINC000330411996 444970353 /nfs/dbraw/zinc/97/03/53/444970353.db2.gz LVMLVGICTNQPLF-OLZOCXBDSA-N 1 2 325.438 1.137 20 30 EDEDLO Cc1ccn2ncc(C(=O)N[C@@H]3CCO[C@@H](c4c[nH+]cn4C)C3)c2n1 ZINC000330323072 444936497 /nfs/dbraw/zinc/93/64/97/444936497.db2.gz HJCGGSGNYQMUND-IUODEOHRSA-N 1 2 340.387 1.996 20 30 EDEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCC2)cc1 ZINC000337304716 445024425 /nfs/dbraw/zinc/02/44/25/445024425.db2.gz SIUFDKSMOVRPRZ-UHFFFAOYSA-N 1 2 335.429 1.200 20 30 EDEDLO COc1cc(OC)cc(-n2nnnc2C[N@H+](C)CCOCCC#N)c1 ZINC000339015404 444987743 /nfs/dbraw/zinc/98/77/43/444987743.db2.gz PECDKSCULOHTCI-UHFFFAOYSA-N 1 2 346.391 1.042 20 30 EDEDLO COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)CCOCCC#N)c1 ZINC000339015404 444987746 /nfs/dbraw/zinc/98/77/46/444987746.db2.gz PECDKSCULOHTCI-UHFFFAOYSA-N 1 2 346.391 1.042 20 30 EDEDLO N#Cc1ncn(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)n1 ZINC000343081078 445047256 /nfs/dbraw/zinc/04/72/56/445047256.db2.gz UCHICOXSOPZECG-UHFFFAOYSA-N 1 2 339.403 1.242 20 30 EDEDLO CCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000330633272 445071057 /nfs/dbraw/zinc/07/10/57/445071057.db2.gz JRVWYIVADWNPIF-CQSZACIVSA-N 1 2 341.477 1.228 20 30 EDEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000330633272 445071063 /nfs/dbraw/zinc/07/10/63/445071063.db2.gz JRVWYIVADWNPIF-CQSZACIVSA-N 1 2 341.477 1.228 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000344535097 445041292 /nfs/dbraw/zinc/04/12/92/445041292.db2.gz SYCNCLAGDXIUHU-UHFFFAOYSA-N 1 2 340.408 1.868 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000330577443 445043633 /nfs/dbraw/zinc/04/36/33/445043633.db2.gz OYLLJHNOCMWPIX-KONPQCLYSA-N 1 2 337.464 1.293 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000330577443 445043635 /nfs/dbraw/zinc/04/36/35/445043635.db2.gz OYLLJHNOCMWPIX-KONPQCLYSA-N 1 2 337.464 1.293 20 30 EDEDLO CO[C@@H]1C[C@H](CO)[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000344706176 445133922 /nfs/dbraw/zinc/13/39/22/445133922.db2.gz IQTGFXQWMMCHJC-CHWSQXEVSA-N 1 2 335.429 1.322 20 30 EDEDLO CO[C@@H]1C[C@H](CO)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000344706176 445133925 /nfs/dbraw/zinc/13/39/25/445133925.db2.gz IQTGFXQWMMCHJC-CHWSQXEVSA-N 1 2 335.429 1.322 20 30 EDEDLO COc1cc(C)c(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1OC ZINC000330698907 445102022 /nfs/dbraw/zinc/10/20/22/445102022.db2.gz FJZPJNGHLVGLQJ-ZDUSSCGKSA-N 1 2 336.436 1.584 20 30 EDEDLO COc1cc(C)c(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1OC ZINC000330698907 445102025 /nfs/dbraw/zinc/10/20/25/445102025.db2.gz FJZPJNGHLVGLQJ-ZDUSSCGKSA-N 1 2 336.436 1.584 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000341995799 445113716 /nfs/dbraw/zinc/11/37/16/445113716.db2.gz SCUCQJVHIYCOHH-UHFFFAOYSA-N 1 2 326.400 1.427 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000342012016 445122775 /nfs/dbraw/zinc/12/27/75/445122775.db2.gz FGCLPOZYTDXORD-MAUKXSAKSA-N 1 2 345.443 1.799 20 30 EDEDLO C[C@H](CC#N)N(C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339274090 445129199 /nfs/dbraw/zinc/12/91/99/445129199.db2.gz HSIVVGJLSJNEKZ-CJNGLKHVSA-N 1 2 345.447 1.778 20 30 EDEDLO C[C@H](CC#N)N(C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339274090 445129202 /nfs/dbraw/zinc/12/92/02/445129202.db2.gz HSIVVGJLSJNEKZ-CJNGLKHVSA-N 1 2 345.447 1.778 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000339856511 445175391 /nfs/dbraw/zinc/17/53/91/445175391.db2.gz PEGASEAPVNOQCT-CQSZACIVSA-N 1 2 330.363 1.409 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000345771500 445199140 /nfs/dbraw/zinc/19/91/40/445199140.db2.gz PNTBHBKUPUPFLE-CYBMUJFWSA-N 1 2 347.850 1.808 20 30 EDEDLO C=CCCO[C@H](C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000343326160 445199957 /nfs/dbraw/zinc/19/99/57/445199957.db2.gz PDDOFUUDHDFRRO-CQSZACIVSA-N 1 2 346.431 1.389 20 30 EDEDLO Cc1nc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cs1 ZINC000348319211 445254607 /nfs/dbraw/zinc/25/46/07/445254607.db2.gz KWLNKTCKJCPNOD-BBRMVZONSA-N 1 2 349.504 1.795 20 30 EDEDLO CC#CCCCC(=O)N(C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000351953244 445396847 /nfs/dbraw/zinc/39/68/47/445396847.db2.gz CUKHPZKVILFZFF-HZPDHXFCSA-N 1 2 334.439 1.985 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000352067704 445470475 /nfs/dbraw/zinc/47/04/75/445470475.db2.gz KLBREOMJXIQMGT-UHFFFAOYSA-N 1 2 345.306 1.191 20 30 EDEDLO N#CC1(F)CC[NH+](CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000352490920 445532781 /nfs/dbraw/zinc/53/27/81/445532781.db2.gz MTNNBQRUJAPWHX-UHFFFAOYSA-N 1 2 334.395 1.251 20 30 EDEDLO C[NH+](C)Cc1nc(C2(NC(=O)c3c[nH]c(C#N)c3)CCCC2)no1 ZINC000352105428 445495943 /nfs/dbraw/zinc/49/59/43/445495943.db2.gz HFQOHVPCMDDBDD-UHFFFAOYSA-N 1 2 328.376 1.530 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c(Cl)c1 ZINC000360055077 445546913 /nfs/dbraw/zinc/54/69/13/445546913.db2.gz OQLVAVQINIENFN-UHFFFAOYSA-N 1 2 325.821 1.752 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c(Cl)c1 ZINC000360055077 445546915 /nfs/dbraw/zinc/54/69/15/445546915.db2.gz OQLVAVQINIENFN-UHFFFAOYSA-N 1 2 325.821 1.752 20 30 EDEDLO C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000360058137 445548234 /nfs/dbraw/zinc/54/82/34/445548234.db2.gz WFOYCAQCNPCUNP-UHFFFAOYSA-N 1 2 349.456 1.143 20 30 EDEDLO C=CCNC(=O)c1cccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000360058137 445548242 /nfs/dbraw/zinc/54/82/42/445548242.db2.gz WFOYCAQCNPCUNP-UHFFFAOYSA-N 1 2 349.456 1.143 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000356096567 445618574 /nfs/dbraw/zinc/61/85/74/445618574.db2.gz FHIMKKDISBJVGD-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000356096567 445618580 /nfs/dbraw/zinc/61/85/80/445618580.db2.gz FHIMKKDISBJVGD-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(SC)s2)CC1 ZINC000356058754 445595194 /nfs/dbraw/zinc/59/51/94/445595194.db2.gz PGCDSDJQYQQPQR-UHFFFAOYSA-N 1 2 325.503 1.890 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@H](F)C[C@H]1CNC(=O)NCCCC#N ZINC000349899294 445716155 /nfs/dbraw/zinc/71/61/55/445716155.db2.gz VKZRBAOMZSQHCX-KGLIPLIRSA-N 1 2 337.399 1.807 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@H](F)C[C@H]1CNC(=O)NCCCC#N ZINC000349899294 445716157 /nfs/dbraw/zinc/71/61/57/445716157.db2.gz VKZRBAOMZSQHCX-KGLIPLIRSA-N 1 2 337.399 1.807 20 30 EDEDLO CC(C)(C)CN(CCC#N)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000361573852 445826210 /nfs/dbraw/zinc/82/62/10/445826210.db2.gz OUZCZBQNANVMDW-UHFFFAOYSA-N 1 2 331.482 1.300 20 30 EDEDLO C=CCNC(=O)Cc1noc(CCc2[nH]c3c(cccc3C)[nH+]2)n1 ZINC000350716527 445886742 /nfs/dbraw/zinc/88/67/42/445886742.db2.gz POGVGGSMCWFGJS-UHFFFAOYSA-N 1 2 325.372 1.884 20 30 EDEDLO C=CCNC(=O)Cc1noc(CCc2[nH]c3cccc(C)c3[nH+]2)n1 ZINC000350716527 445886746 /nfs/dbraw/zinc/88/67/46/445886746.db2.gz POGVGGSMCWFGJS-UHFFFAOYSA-N 1 2 325.372 1.884 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000363524914 445843856 /nfs/dbraw/zinc/84/38/56/445843856.db2.gz JDPVAMZSVNITAS-KRWDZBQOSA-N 1 2 340.427 1.974 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000363524914 445843861 /nfs/dbraw/zinc/84/38/61/445843861.db2.gz JDPVAMZSVNITAS-KRWDZBQOSA-N 1 2 340.427 1.974 20 30 EDEDLO COc1cc(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)ccc1C#N ZINC000358973473 445870135 /nfs/dbraw/zinc/87/01/35/445870135.db2.gz CAQGTDSYOSPPFA-QGZVFWFLSA-N 1 2 343.427 1.684 20 30 EDEDLO COc1cc(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)ccc1C#N ZINC000358973473 445870139 /nfs/dbraw/zinc/87/01/39/445870139.db2.gz CAQGTDSYOSPPFA-QGZVFWFLSA-N 1 2 343.427 1.684 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000351110550 445995371 /nfs/dbraw/zinc/99/53/71/445995371.db2.gz QKKDEKDPIKJJGI-UHFFFAOYSA-N 1 2 339.380 1.999 20 30 EDEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000356799705 446032375 /nfs/dbraw/zinc/03/23/75/446032375.db2.gz HLZHGGKDFKKJQI-DIFFPNOSSA-N 1 2 332.404 1.645 20 30 EDEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000356799705 446032378 /nfs/dbraw/zinc/03/23/78/446032378.db2.gz HLZHGGKDFKKJQI-DIFFPNOSSA-N 1 2 332.404 1.645 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000583306194 326045446 /nfs/dbraw/zinc/04/54/46/326045446.db2.gz ZVRBHBMKSRCZCB-AAEUAGOBSA-N 1 2 349.822 1.934 20 30 EDEDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C2 ZINC000369313319 446067410 /nfs/dbraw/zinc/06/74/10/446067410.db2.gz ZFFYSOJOFAOGNX-DLBZAZTESA-N 1 2 333.395 1.877 20 30 EDEDLO CC(C)NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000365233422 446092303 /nfs/dbraw/zinc/09/23/03/446092303.db2.gz ITZSNWMIXUZVDJ-UHFFFAOYSA-N 1 2 332.423 1.730 20 30 EDEDLO CC(C)NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000365233422 446092310 /nfs/dbraw/zinc/09/23/10/446092310.db2.gz ITZSNWMIXUZVDJ-UHFFFAOYSA-N 1 2 332.423 1.730 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CCCCC3)CC1 ZINC000366232113 446096563 /nfs/dbraw/zinc/09/65/63/446096563.db2.gz DDZUEARVRDYJHI-INIZCTEOSA-N 1 2 331.460 1.241 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC23CCCCC3)CC1 ZINC000366232113 446096569 /nfs/dbraw/zinc/09/65/69/446096569.db2.gz DDZUEARVRDYJHI-INIZCTEOSA-N 1 2 331.460 1.241 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366337034 446160928 /nfs/dbraw/zinc/16/09/28/446160928.db2.gz ZFJQFZHFACLURX-QWHCGFSZSA-N 1 2 348.200 1.415 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366337034 446160931 /nfs/dbraw/zinc/16/09/31/446160931.db2.gz ZFJQFZHFACLURX-QWHCGFSZSA-N 1 2 348.200 1.415 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@]2(CCCOC2)O1 ZINC000369800496 446156815 /nfs/dbraw/zinc/15/68/15/446156815.db2.gz VLVLNAGGXLRNJF-BPQIPLTHSA-N 1 2 335.448 1.455 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@]2(CCCOC2)O1 ZINC000369800496 446156821 /nfs/dbraw/zinc/15/68/21/446156821.db2.gz VLVLNAGGXLRNJF-BPQIPLTHSA-N 1 2 335.448 1.455 20 30 EDEDLO C=CCCC(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000365555940 446253216 /nfs/dbraw/zinc/25/32/16/446253216.db2.gz IDILSTNVIGDCCZ-AWEZNQCLSA-N 1 2 326.437 1.454 20 30 EDEDLO C=CCCC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000365555940 446253217 /nfs/dbraw/zinc/25/32/17/446253217.db2.gz IDILSTNVIGDCCZ-AWEZNQCLSA-N 1 2 326.437 1.454 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000366666341 446300529 /nfs/dbraw/zinc/30/05/29/446300529.db2.gz PJFGIZGIVIICRL-GFCCVEGCSA-N 1 2 335.410 1.857 20 30 EDEDLO COC(=O)C[C@]1([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)CCOC1 ZINC000362274443 446298805 /nfs/dbraw/zinc/29/88/05/446298805.db2.gz BLTGFIOUNFJVAC-QGZVFWFLSA-N 1 2 342.355 1.420 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c(C#N)c1C ZINC000374053032 446349110 /nfs/dbraw/zinc/34/91/10/446349110.db2.gz HELJBNJFKBYIEJ-LBPRGKRZSA-N 1 2 328.376 1.704 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)c(C#N)c1C ZINC000374053032 446349112 /nfs/dbraw/zinc/34/91/12/446349112.db2.gz HELJBNJFKBYIEJ-LBPRGKRZSA-N 1 2 328.376 1.704 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc2c(cn1)OCCC2 ZINC000376282914 446412965 /nfs/dbraw/zinc/41/29/65/446412965.db2.gz SIZTUZXIMFTHAE-UHFFFAOYSA-N 1 2 344.415 1.095 20 30 EDEDLO C=CCC(C)(C)CNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000432357636 446461385 /nfs/dbraw/zinc/46/13/85/446461385.db2.gz IZILLPNZWDZYEX-AWEZNQCLSA-N 1 2 347.463 1.813 20 30 EDEDLO CCCCNc1cc(N2CCC(n3cnc(C#N)n3)CC2)nc(N)[nH+]1 ZINC000367421281 446544925 /nfs/dbraw/zinc/54/49/25/446544925.db2.gz ZYPQBIQJDHZFDS-UHFFFAOYSA-N 1 2 341.423 1.575 20 30 EDEDLO CCCCNc1cc(N2CCC(n3cnc(C#N)n3)CC2)[nH+]c(N)n1 ZINC000367421281 446544930 /nfs/dbraw/zinc/54/49/30/446544930.db2.gz ZYPQBIQJDHZFDS-UHFFFAOYSA-N 1 2 341.423 1.575 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367740243 446583297 /nfs/dbraw/zinc/58/32/97/446583297.db2.gz KDQVBTPJHOUYAD-OAHLLOKOSA-N 1 2 332.423 1.932 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000623172159 450433943 /nfs/dbraw/zinc/43/39/43/450433943.db2.gz FTPQISSUKFGXRS-INIZCTEOSA-N 1 2 334.464 1.409 20 30 EDEDLO COCCn1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cn1 ZINC000434981385 446670708 /nfs/dbraw/zinc/67/07/08/446670708.db2.gz FVRBVOTXGGEQMQ-LJQANCHMSA-N 1 2 339.443 1.912 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000368188509 446695683 /nfs/dbraw/zinc/69/56/83/446695683.db2.gz YHBZSIBIOXNZLZ-OAHLLOKOSA-N 1 2 332.379 1.360 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000368188509 446695692 /nfs/dbraw/zinc/69/56/92/446695692.db2.gz YHBZSIBIOXNZLZ-OAHLLOKOSA-N 1 2 332.379 1.360 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H](C)C(N)=O ZINC000437158096 446745104 /nfs/dbraw/zinc/74/51/04/446745104.db2.gz WOIJSMQJRDHFIA-JTQLQIEISA-N 1 2 327.331 1.482 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H](C)C(N)=O ZINC000437158096 446745109 /nfs/dbraw/zinc/74/51/09/446745109.db2.gz WOIJSMQJRDHFIA-JTQLQIEISA-N 1 2 327.331 1.482 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368305671 446772456 /nfs/dbraw/zinc/77/24/56/446772456.db2.gz YLWFJADBPLIHRU-KRWDZBQOSA-N 1 2 345.443 1.914 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368305671 446772464 /nfs/dbraw/zinc/77/24/64/446772464.db2.gz YLWFJADBPLIHRU-KRWDZBQOSA-N 1 2 345.443 1.914 20 30 EDEDLO N#CCCn1ccc(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000438313809 446789988 /nfs/dbraw/zinc/78/99/88/446789988.db2.gz WCBDFBGMFGYOJN-UHFFFAOYSA-N 1 2 341.297 1.877 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CC(Cc2ccccc2F)C1 ZINC000371349925 446797568 /nfs/dbraw/zinc/79/75/68/446797568.db2.gz NUVVJWZKXKOSSV-UHFFFAOYSA-N 1 2 328.391 1.956 20 30 EDEDLO C[C@@H](O)[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000412097202 446857084 /nfs/dbraw/zinc/85/70/84/446857084.db2.gz SXHKUFAVSIULSD-CXAGYDPISA-N 1 2 326.400 1.540 20 30 EDEDLO C[C@@H](O)[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000412097202 446857090 /nfs/dbraw/zinc/85/70/90/446857090.db2.gz SXHKUFAVSIULSD-CXAGYDPISA-N 1 2 326.400 1.540 20 30 EDEDLO Cc1cc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)nn1CCC#N ZINC000371526508 446912976 /nfs/dbraw/zinc/91/29/76/446912976.db2.gz RPICWILIVJPXHW-UHFFFAOYSA-N 1 2 341.419 2.002 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420942697 446914553 /nfs/dbraw/zinc/91/45/53/446914553.db2.gz QONDKEAYGVQVKJ-WBVHZDCISA-N 1 2 345.443 1.793 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420942697 446914560 /nfs/dbraw/zinc/91/45/60/446914560.db2.gz QONDKEAYGVQVKJ-WBVHZDCISA-N 1 2 345.443 1.793 20 30 EDEDLO Cc1cc(NC(=O)C2([NH+]3CCN(C)CC3)CCCC2)nn1CCC#N ZINC000372443291 447060090 /nfs/dbraw/zinc/06/00/90/447060090.db2.gz KYAJOQYSCHXNDA-UHFFFAOYSA-N 1 2 344.463 1.604 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000377346066 447080653 /nfs/dbraw/zinc/08/06/53/447080653.db2.gz NXMWXNKMIADCPG-YESZJQIVSA-N 1 2 337.464 1.474 20 30 EDEDLO CCCCCCCCCC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000372543550 447125996 /nfs/dbraw/zinc/12/59/96/447125996.db2.gz IBEANKIFDYEOBG-INIZCTEOSA-N 1 2 341.496 1.772 20 30 EDEDLO CCCCCCCCCC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000372543550 447126000 /nfs/dbraw/zinc/12/60/00/447126000.db2.gz IBEANKIFDYEOBG-INIZCTEOSA-N 1 2 341.496 1.772 20 30 EDEDLO COCC(COC)[NH+]1CCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000413479686 447194189 /nfs/dbraw/zinc/19/41/89/447194189.db2.gz QPGRCZCEAPRCKM-UHFFFAOYSA-N 1 2 331.416 1.544 20 30 EDEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)C3(C#N)CCOCC3)CC2)oc1C ZINC000377625710 447254575 /nfs/dbraw/zinc/25/45/75/447254575.db2.gz RBBDQTPXTQOJRX-UHFFFAOYSA-N 1 2 346.431 1.646 20 30 EDEDLO Cc1nc(C[N@H+]2CCCN(C(=O)C3(C#N)CCOCC3)CC2)oc1C ZINC000377625710 447254582 /nfs/dbraw/zinc/25/45/82/447254582.db2.gz RBBDQTPXTQOJRX-UHFFFAOYSA-N 1 2 346.431 1.646 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000450543474 447521448 /nfs/dbraw/zinc/52/14/48/447521448.db2.gz YQAPBWJVGJOSEM-LBPRGKRZSA-N 1 2 332.360 1.763 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000450543474 447521454 /nfs/dbraw/zinc/52/14/54/447521454.db2.gz YQAPBWJVGJOSEM-LBPRGKRZSA-N 1 2 332.360 1.763 20 30 EDEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@@H]1C ZINC000408314833 447649296 /nfs/dbraw/zinc/64/92/96/447649296.db2.gz CXPHGJGCRUIPGQ-LSDHHAIUSA-N 1 2 343.493 1.177 20 30 EDEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@@H]1C ZINC000408314833 447649305 /nfs/dbraw/zinc/64/93/05/447649305.db2.gz CXPHGJGCRUIPGQ-LSDHHAIUSA-N 1 2 343.493 1.177 20 30 EDEDLO CCOC(=O)c1noc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000459531831 447696344 /nfs/dbraw/zinc/69/63/44/447696344.db2.gz MRCTXEZJICEXNE-UHFFFAOYSA-N 1 2 344.371 1.767 20 30 EDEDLO CCOC(=O)c1noc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000459531831 447696351 /nfs/dbraw/zinc/69/63/51/447696351.db2.gz MRCTXEZJICEXNE-UHFFFAOYSA-N 1 2 344.371 1.767 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459539774 447700654 /nfs/dbraw/zinc/70/06/54/447700654.db2.gz PRMANBRXDQDMFX-GFCCVEGCSA-N 1 2 345.399 1.232 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459539774 447700659 /nfs/dbraw/zinc/70/06/59/447700659.db2.gz PRMANBRXDQDMFX-GFCCVEGCSA-N 1 2 345.399 1.232 20 30 EDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000459468894 447677468 /nfs/dbraw/zinc/67/74/68/447677468.db2.gz SCIZIHUOLWSTGU-GWCFXTLKSA-N 1 2 345.794 1.536 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451264398 447718649 /nfs/dbraw/zinc/71/86/49/447718649.db2.gz MYTPQLRUHJPAIB-HHXXYDBFSA-N 1 2 347.434 1.795 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451264398 447718655 /nfs/dbraw/zinc/71/86/55/447718655.db2.gz MYTPQLRUHJPAIB-HHXXYDBFSA-N 1 2 347.434 1.795 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@](O)(C(F)F)C2)c(C#N)c1C ZINC000451422467 447729469 /nfs/dbraw/zinc/72/94/69/447729469.db2.gz CXTQGNXATKIZRF-AWEZNQCLSA-N 1 2 329.372 1.877 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@](O)(C(F)F)C2)c(C#N)c1C ZINC000451422467 447729474 /nfs/dbraw/zinc/72/94/74/447729474.db2.gz CXTQGNXATKIZRF-AWEZNQCLSA-N 1 2 329.372 1.877 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429264122 447737818 /nfs/dbraw/zinc/73/78/18/447737818.db2.gz LODXMEZBXFQDMO-UHFFFAOYSA-N 1 2 334.298 1.530 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)NCC3(CC#N)CC3)c[nH+]2)CCO1 ZINC000430153151 447766508 /nfs/dbraw/zinc/76/65/08/447766508.db2.gz DKLWSJGLQCQHQY-AWEZNQCLSA-N 1 2 343.431 1.800 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430406047 447772901 /nfs/dbraw/zinc/77/29/01/447772901.db2.gz SZFWAUYQQFXBAH-GOEBONIOSA-N 1 2 346.431 1.213 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430406047 447772904 /nfs/dbraw/zinc/77/29/04/447772904.db2.gz SZFWAUYQQFXBAH-GOEBONIOSA-N 1 2 346.431 1.213 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)CC1 ZINC000490819458 447896727 /nfs/dbraw/zinc/89/67/27/447896727.db2.gz HWQFQATWMMPLCT-RDJZCZTQSA-N 1 2 347.484 1.287 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3c(F)ccc(F)c3C2)CC1 ZINC000490841696 447898571 /nfs/dbraw/zinc/89/85/71/447898571.db2.gz WULXLUYTSZLACU-UHFFFAOYSA-N 1 2 333.382 1.100 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2csc(N(CC)C(C)=O)n2)CC1 ZINC000491202075 447953475 /nfs/dbraw/zinc/95/34/75/447953475.db2.gz LOOLWXVFSMSNFG-UHFFFAOYSA-N 1 2 348.472 1.477 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)C1(C#N)CCC1 ZINC000496839506 447957891 /nfs/dbraw/zinc/95/78/91/447957891.db2.gz XXUGIGKVGWUMFS-CYBMUJFWSA-N 1 2 336.436 1.348 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)C1(C#N)CCC1 ZINC000496839506 447957892 /nfs/dbraw/zinc/95/78/92/447957892.db2.gz XXUGIGKVGWUMFS-CYBMUJFWSA-N 1 2 336.436 1.348 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CCCC)n2C[C@H]2CCCO2)CC1 ZINC000491120663 447929541 /nfs/dbraw/zinc/92/95/41/447929541.db2.gz MPGWCYKYQIWIAS-MRXNPFEDSA-N 1 2 331.464 1.555 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524593643 447936534 /nfs/dbraw/zinc/93/65/34/447936534.db2.gz KHXVYDJZXGADCV-QWRGUYRKSA-N 1 2 337.342 1.430 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000524593643 447936539 /nfs/dbraw/zinc/93/65/39/447936539.db2.gz KHXVYDJZXGADCV-QWRGUYRKSA-N 1 2 337.342 1.430 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2nc([C@@H](C)SCC)no2)CC1 ZINC000491155020 447940436 /nfs/dbraw/zinc/94/04/36/447940436.db2.gz OFZVKIFXCKRWOD-GFCCVEGCSA-N 1 2 336.461 1.845 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CCCOCC)CC1 ZINC000491326949 447995581 /nfs/dbraw/zinc/99/55/81/447995581.db2.gz RQMGNUPUMSXMRA-MRXNPFEDSA-N 1 2 347.463 1.311 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@]3(C)CCCO3)n2CC(=C)C)CC1 ZINC000491485208 448040531 /nfs/dbraw/zinc/04/05/31/448040531.db2.gz NDWJHNXASZJBJT-GOSISDBHSA-N 1 2 329.448 1.635 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C(F)F)CCCC2)CC1 ZINC000491536205 448055216 /nfs/dbraw/zinc/05/52/16/448055216.db2.gz ILAHUASBDPVJNW-UHFFFAOYSA-N 1 2 341.402 1.096 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C(F)F)CCCC2)CC1 ZINC000491536205 448055220 /nfs/dbraw/zinc/05/52/20/448055220.db2.gz ILAHUASBDPVJNW-UHFFFAOYSA-N 1 2 341.402 1.096 20 30 EDEDLO C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1[nH]cc[nH+]1 ZINC000571297127 448132066 /nfs/dbraw/zinc/13/20/66/448132066.db2.gz HJGVTMUBTWAHNV-GFCCVEGCSA-N 1 2 346.412 1.978 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+]([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000491807309 448134902 /nfs/dbraw/zinc/13/49/02/448134902.db2.gz SBEWVVNWGMUGFP-KRWDZBQOSA-N 1 2 331.847 1.694 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)NC[C@@H](C)C#N)[C@@H]1c1c[nH+]cn1C ZINC000527244584 448192291 /nfs/dbraw/zinc/19/22/91/448192291.db2.gz ZJEWFRWGDBSZBC-WOSRLPQWSA-N 1 2 331.420 1.386 20 30 EDEDLO CCn1cc[nH+]c1C=CC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000492362634 448207359 /nfs/dbraw/zinc/20/73/59/448207359.db2.gz DTKMTDJTEBHGDJ-SREVYHEPSA-N 1 2 327.392 1.184 20 30 EDEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000527128076 448166650 /nfs/dbraw/zinc/16/66/50/448166650.db2.gz KSEJMYRIHLDINJ-AWEZNQCLSA-N 1 2 332.404 1.445 20 30 EDEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000527128076 448166652 /nfs/dbraw/zinc/16/66/52/448166652.db2.gz KSEJMYRIHLDINJ-AWEZNQCLSA-N 1 2 332.404 1.445 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000577181929 448227822 /nfs/dbraw/zinc/22/78/22/448227822.db2.gz SWMBWHNEUMOJJJ-SFHVURJKSA-N 1 2 328.416 1.538 20 30 EDEDLO COC(=O)c1cccc2c1CC[N@H+](Cc1cnc3c(C#N)cnn3c1)C2 ZINC000582420797 448233482 /nfs/dbraw/zinc/23/34/82/448233482.db2.gz IWGWKRXYRIBAIJ-UHFFFAOYSA-N 1 2 347.378 1.946 20 30 EDEDLO COC(=O)c1cccc2c1CC[N@@H+](Cc1cnc3c(C#N)cnn3c1)C2 ZINC000582420797 448233483 /nfs/dbraw/zinc/23/34/83/448233483.db2.gz IWGWKRXYRIBAIJ-UHFFFAOYSA-N 1 2 347.378 1.946 20 30 EDEDLO C=CCCn1cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nn1 ZINC000582482770 448250545 /nfs/dbraw/zinc/25/05/45/448250545.db2.gz UVRPEUNNBOESFI-ZBFHGGJFSA-N 1 2 333.436 1.227 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000563131092 448287130 /nfs/dbraw/zinc/28/71/30/448287130.db2.gz AQSRLMDLKAXLHP-UHFFFAOYSA-N 1 2 335.473 1.817 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000532981373 448338157 /nfs/dbraw/zinc/33/81/57/448338157.db2.gz CFJBWUPJZVBGAA-RHSMWYFYSA-N 1 2 340.427 1.972 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000532981373 448338162 /nfs/dbraw/zinc/33/81/62/448338162.db2.gz CFJBWUPJZVBGAA-RHSMWYFYSA-N 1 2 340.427 1.972 20 30 EDEDLO Cc1cc(F)cc(-n2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn2)c1 ZINC000565050359 448353061 /nfs/dbraw/zinc/35/30/61/448353061.db2.gz AOBMBDFYVINDLE-MRXNPFEDSA-N 1 2 330.367 1.289 20 30 EDEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ncc(Br)cn1 ZINC000564401537 448329081 /nfs/dbraw/zinc/32/90/81/448329081.db2.gz KZEVPUUPPXBXOZ-SECBINFHSA-N 1 2 338.209 1.452 20 30 EDEDLO COCCc1nc2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc2o1 ZINC000566064250 448388748 /nfs/dbraw/zinc/38/87/48/448388748.db2.gz IXUOZNIVUUQEHY-AWEZNQCLSA-N 1 2 332.404 1.635 20 30 EDEDLO COCCc1nc2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc2o1 ZINC000566064250 448388755 /nfs/dbraw/zinc/38/87/55/448388755.db2.gz IXUOZNIVUUQEHY-AWEZNQCLSA-N 1 2 332.404 1.635 20 30 EDEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000591555942 448389198 /nfs/dbraw/zinc/38/91/98/448389198.db2.gz XFDQJEXUPBSNFL-UHFFFAOYSA-N 1 2 328.416 1.770 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000578008251 448437676 /nfs/dbraw/zinc/43/76/76/448437676.db2.gz RKQHMXIKSOOKHJ-LLVKDONJSA-N 1 2 330.779 1.758 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000578008251 448437683 /nfs/dbraw/zinc/43/76/83/448437683.db2.gz RKQHMXIKSOOKHJ-LLVKDONJSA-N 1 2 330.779 1.758 20 30 EDEDLO COCCOCc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1F ZINC000566309661 448443129 /nfs/dbraw/zinc/44/31/29/448443129.db2.gz QELGEXNMDPWKAD-KRWDZBQOSA-N 1 2 337.395 1.562 20 30 EDEDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135104663 533712915 /nfs/dbraw/zinc/71/29/15/533712915.db2.gz SSGVQWNMGXKIDO-HNNXBMFYSA-N 1 2 329.400 1.351 20 30 EDEDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135104663 533712921 /nfs/dbraw/zinc/71/29/21/533712921.db2.gz SSGVQWNMGXKIDO-HNNXBMFYSA-N 1 2 329.400 1.351 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583938429 448467141 /nfs/dbraw/zinc/46/71/41/448467141.db2.gz XEJMGEZPSDAYPH-INIZCTEOSA-N 1 2 329.360 1.579 20 30 EDEDLO N#CC1(c2ccccn2)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000584175280 448474165 /nfs/dbraw/zinc/47/41/65/448474165.db2.gz QQZOVEVKDCVYSZ-HNNXBMFYSA-N 1 2 335.411 1.924 20 30 EDEDLO COC(=O)c1cccc(CN2CCN(Cc3[nH]cc[nH+]3)CC2)c1C#N ZINC000535963569 448513433 /nfs/dbraw/zinc/51/34/33/448513433.db2.gz KXDIYEIWRFGALF-UHFFFAOYSA-N 1 2 339.399 1.386 20 30 EDEDLO N#CC1(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCCCC1 ZINC000537244600 448553786 /nfs/dbraw/zinc/55/37/86/448553786.db2.gz ZTKLVCDBAXAGTG-UHFFFAOYSA-N 1 2 328.416 1.870 20 30 EDEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)cnc12 ZINC000578652661 448604408 /nfs/dbraw/zinc/60/44/08/448604408.db2.gz NANBKNONSHMKFH-CQSZACIVSA-N 1 2 348.414 1.976 20 30 EDEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)cnc12 ZINC000578652661 448604412 /nfs/dbraw/zinc/60/44/12/448604412.db2.gz NANBKNONSHMKFH-CQSZACIVSA-N 1 2 348.414 1.976 20 30 EDEDLO COc1ccc(Cn2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn2)cc1 ZINC000573497552 448643106 /nfs/dbraw/zinc/64/31/06/448643106.db2.gz YVTLURHLAQYSHN-GOSISDBHSA-N 1 2 341.415 1.514 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592148632 448709147 /nfs/dbraw/zinc/70/91/47/448709147.db2.gz XVWZPGXAALSJTI-LJQANCHMSA-N 1 2 340.427 1.901 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592148632 448709154 /nfs/dbraw/zinc/70/91/54/448709154.db2.gz XVWZPGXAALSJTI-LJQANCHMSA-N 1 2 340.427 1.901 20 30 EDEDLO CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149839 448710760 /nfs/dbraw/zinc/71/07/60/448710760.db2.gz XSLLAEDWFDCMKT-GOSISDBHSA-N 1 2 331.416 1.442 20 30 EDEDLO CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149839 448710763 /nfs/dbraw/zinc/71/07/63/448710763.db2.gz XSLLAEDWFDCMKT-GOSISDBHSA-N 1 2 331.416 1.442 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149516 448710768 /nfs/dbraw/zinc/71/07/68/448710768.db2.gz QJKXQXREGVYNDV-CRAIPNDOSA-N 1 2 326.400 1.672 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149516 448710771 /nfs/dbraw/zinc/71/07/71/448710771.db2.gz QJKXQXREGVYNDV-CRAIPNDOSA-N 1 2 326.400 1.672 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152485 448713186 /nfs/dbraw/zinc/71/31/86/448713186.db2.gz YAJAOFSXISIKQQ-SCLBCKFNSA-N 1 2 339.399 1.754 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152485 448713191 /nfs/dbraw/zinc/71/31/91/448713191.db2.gz YAJAOFSXISIKQQ-SCLBCKFNSA-N 1 2 339.399 1.754 20 30 EDEDLO COc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1sccc1C#N ZINC000542907695 448731115 /nfs/dbraw/zinc/73/11/15/448731115.db2.gz BCIHGOILVQLICU-CYBMUJFWSA-N 1 2 331.397 1.890 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3cc(OC)ccc3o2)CC1 ZINC000567728937 448749514 /nfs/dbraw/zinc/74/95/14/448749514.db2.gz GAKOWTBBYACKLW-UHFFFAOYSA-N 1 2 330.388 1.261 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)CCCCCC#N)C1=O ZINC000588163574 448879803 /nfs/dbraw/zinc/87/98/03/448879803.db2.gz ADOFTOPEFYUGRJ-AWEZNQCLSA-N 1 2 331.420 1.501 20 30 EDEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@]3(C#N)CCOC3)cn2c1 ZINC000547811672 448935158 /nfs/dbraw/zinc/93/51/58/448935158.db2.gz GYXMCTZICJOVSD-MRXNPFEDSA-N 1 2 330.413 1.675 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CC(=O)NCC#N)Cc2ccccc21 ZINC000595616601 449082166 /nfs/dbraw/zinc/08/21/66/449082166.db2.gz NBBJZMBYKPJHTI-OAHLLOKOSA-N 1 2 329.400 1.567 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CC(=O)NCC#N)Cc2ccccc21 ZINC000595616601 449082171 /nfs/dbraw/zinc/08/21/71/449082171.db2.gz NBBJZMBYKPJHTI-OAHLLOKOSA-N 1 2 329.400 1.567 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590219092 449116208 /nfs/dbraw/zinc/11/62/08/449116208.db2.gz NPRRUZCGDKZDGB-AWEZNQCLSA-N 1 2 332.448 1.272 20 30 EDEDLO N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000590449298 449170097 /nfs/dbraw/zinc/17/00/97/449170097.db2.gz VVKUQJLEJBZPTL-OAHLLOKOSA-N 1 2 336.399 1.061 20 30 EDEDLO Cn1cc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)nn1 ZINC000595758230 449152017 /nfs/dbraw/zinc/15/20/17/449152017.db2.gz LHZPPSCPSATLSX-UHFFFAOYSA-N 1 2 332.795 1.801 20 30 EDEDLO Cn1cc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)nn1 ZINC000595758230 449152018 /nfs/dbraw/zinc/15/20/18/449152018.db2.gz LHZPPSCPSATLSX-UHFFFAOYSA-N 1 2 332.795 1.801 20 30 EDEDLO N#Cc1ccccc1N1CC[NH+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000611170576 449197023 /nfs/dbraw/zinc/19/70/23/449197023.db2.gz DBAKGUQLQGNDMW-OAHLLOKOSA-N 1 2 333.457 1.505 20 30 EDEDLO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595841793 449202546 /nfs/dbraw/zinc/20/25/46/449202546.db2.gz WMHYTNFZDCQQOV-KUHUBIRLSA-N 1 2 343.427 1.741 20 30 EDEDLO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841793 449202551 /nfs/dbraw/zinc/20/25/51/449202551.db2.gz WMHYTNFZDCQQOV-KUHUBIRLSA-N 1 2 343.427 1.741 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597996618 449181923 /nfs/dbraw/zinc/18/19/23/449181923.db2.gz KIJZDVPQUGJJOE-RBSFLKMASA-N 1 2 331.416 1.551 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597996618 449181930 /nfs/dbraw/zinc/18/19/30/449181930.db2.gz KIJZDVPQUGJJOE-RBSFLKMASA-N 1 2 331.416 1.551 20 30 EDEDLO CN1CC[C@@](C)(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000602034011 449289231 /nfs/dbraw/zinc/28/92/31/449289231.db2.gz RFLQIWDFVSVJJR-LJQANCHMSA-N 1 2 340.427 1.071 20 30 EDEDLO N#Cc1ccc(C2(NC(=O)NCC[NH+]3CCOCC3)CCC2)cc1 ZINC000593936481 449296744 /nfs/dbraw/zinc/29/67/44/449296744.db2.gz ACXHMCADRLCPJP-UHFFFAOYSA-N 1 2 328.416 1.569 20 30 EDEDLO N#CC1(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CCCC1 ZINC000593425232 449277866 /nfs/dbraw/zinc/27/78/66/449277866.db2.gz CMRLSNGKKZUIJI-UHFFFAOYSA-N 1 2 327.432 1.993 20 30 EDEDLO COC(=O)Cc1cc[nH+]c(N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000596087043 449355808 /nfs/dbraw/zinc/35/58/08/449355808.db2.gz IIKUMMYQNLZUOR-UHFFFAOYSA-N 1 2 337.383 1.390 20 30 EDEDLO CO[C@@H](Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)C1CCCC1 ZINC000596285709 449456928 /nfs/dbraw/zinc/45/69/28/449456928.db2.gz MSCBXFWCMLRNEG-SFHVURJKSA-N 1 2 345.443 1.757 20 30 EDEDLO CC(C)(C#N)C[C@@H](O)CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000598586485 449477402 /nfs/dbraw/zinc/47/74/02/449477402.db2.gz GZFUGMKEPSNVFC-QGZVFWFLSA-N 1 2 331.460 1.984 20 30 EDEDLO Cc1nc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n(-c2ccc(C#N)cc2)n1 ZINC000598685604 449542672 /nfs/dbraw/zinc/54/26/72/449542672.db2.gz PLAMPPJBOQTOMC-AWEZNQCLSA-N 1 2 347.382 1.267 20 30 EDEDLO N#CC1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCC1 ZINC000602326188 449515722 /nfs/dbraw/zinc/51/57/22/449515722.db2.gz JPWLCDGPHRFUIM-INIZCTEOSA-N 1 2 343.431 1.275 20 30 EDEDLO N#CC1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCC1 ZINC000602326188 449515728 /nfs/dbraw/zinc/51/57/28/449515728.db2.gz JPWLCDGPHRFUIM-INIZCTEOSA-N 1 2 343.431 1.275 20 30 EDEDLO CCOC(=O)c1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)on1 ZINC000602436476 449585403 /nfs/dbraw/zinc/58/54/03/449585403.db2.gz NWWVIHFFYGZJBV-UHFFFAOYSA-N 1 2 341.371 1.440 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(C#N)c(F)c2)[C@@H](C)CO1 ZINC000596618297 449574934 /nfs/dbraw/zinc/57/49/34/449574934.db2.gz KBSYXMVNWMJRSP-STQMWFEESA-N 1 2 334.395 1.606 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(C#N)c(F)c2)[C@@H](C)CO1 ZINC000596618297 449574937 /nfs/dbraw/zinc/57/49/37/449574937.db2.gz KBSYXMVNWMJRSP-STQMWFEESA-N 1 2 334.395 1.606 20 30 EDEDLO COC(=O)c1[nH]c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1C ZINC000602434405 449583844 /nfs/dbraw/zinc/58/38/44/449583844.db2.gz DOEKUAJEXXHGDQ-UHFFFAOYSA-N 1 2 339.399 1.699 20 30 EDEDLO CO[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCOC1 ZINC000596657370 449589428 /nfs/dbraw/zinc/58/94/28/449589428.db2.gz RKSXQYLZKLMKLQ-ZWKOTPCHSA-N 1 2 343.427 1.254 20 30 EDEDLO COCC[N@H+](Cc1cc(C(=O)OC)no1)Cc1ccc(C#N)cc1 ZINC000602443335 449591872 /nfs/dbraw/zinc/59/18/72/449591872.db2.gz CMRKWMUJTPPLSJ-UHFFFAOYSA-N 1 2 329.356 1.981 20 30 EDEDLO COCC[N@@H+](Cc1cc(C(=O)OC)no1)Cc1ccc(C#N)cc1 ZINC000602443335 449591874 /nfs/dbraw/zinc/59/18/74/449591874.db2.gz CMRKWMUJTPPLSJ-UHFFFAOYSA-N 1 2 329.356 1.981 20 30 EDEDLO N#CCCn1ccc(NC(=O)NCc2ccc[nH+]c2N2CCCC2)n1 ZINC000596752015 449633195 /nfs/dbraw/zinc/63/31/95/449633195.db2.gz AKKYWLBOQACGSK-UHFFFAOYSA-N 1 2 339.403 2.114 20 30 EDEDLO N#C[C@H]1CC[C@@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000599086346 449723692 /nfs/dbraw/zinc/72/36/92/449723692.db2.gz KEYOQVXVQKIDPJ-BBWFWOEESA-N 1 2 343.431 1.274 20 30 EDEDLO N#C[C@H]1CC[C@@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000599086346 449723699 /nfs/dbraw/zinc/72/36/99/449723699.db2.gz KEYOQVXVQKIDPJ-BBWFWOEESA-N 1 2 343.431 1.274 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000614662888 449747505 /nfs/dbraw/zinc/74/75/05/449747505.db2.gz SFRVYGITHXZAPB-DOTOQJQBSA-N 1 2 335.411 1.855 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3c(C4CC4)cnn3C)CC2)c1C#N ZINC000597107316 449817907 /nfs/dbraw/zinc/81/79/07/449817907.db2.gz HGGXDJOLLLJGOT-UHFFFAOYSA-N 1 2 339.447 1.533 20 30 EDEDLO Cc1cn2ccc(NC(=O)C(=O)N3CCC(CC#N)CC3)cc2[nH+]1 ZINC000594996884 449836089 /nfs/dbraw/zinc/83/60/89/449836089.db2.gz GNCGUMRTBLLBRO-UHFFFAOYSA-N 1 2 325.372 1.734 20 30 EDEDLO N#Cc1ccc(N2CCC(NC(=O)CCCn3cc[nH+]c3)CC2)nc1 ZINC000608950690 449952058 /nfs/dbraw/zinc/95/20/58/449952058.db2.gz PTEVKMLDDCXUAO-UHFFFAOYSA-N 1 2 338.415 1.715 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000601385265 449901415 /nfs/dbraw/zinc/90/14/15/449901415.db2.gz LZMJMKKZIRVBDP-NWDGAFQWSA-N 1 2 325.409 1.719 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000601385265 449901419 /nfs/dbraw/zinc/90/14/19/449901419.db2.gz LZMJMKKZIRVBDP-NWDGAFQWSA-N 1 2 325.409 1.719 20 30 EDEDLO C=CCCSCCNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000595153114 449905405 /nfs/dbraw/zinc/90/54/05/449905405.db2.gz ZHKIWKFVRMRIFM-CYBMUJFWSA-N 1 2 336.461 1.541 20 30 EDEDLO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)C[C@H]1n1cc[nH+]c1 ZINC000595173448 449922630 /nfs/dbraw/zinc/92/26/30/449922630.db2.gz SKMCPNURZNYJTP-CPUCHLNUSA-N 1 2 329.404 1.055 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc2ccccc2n1CC#N ZINC000609163574 449972562 /nfs/dbraw/zinc/97/25/62/449972562.db2.gz PIBPLUFHQQVZJU-AWEZNQCLSA-N 1 2 326.400 1.615 20 30 EDEDLO Cn1ccnc1[C@@H]1[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1(C)C ZINC000599434345 449973049 /nfs/dbraw/zinc/97/30/49/449973049.db2.gz ZGZIUVWCTIZFCI-GJZGRUSLSA-N 1 2 332.448 1.874 20 30 EDEDLO Cn1ccnc1[C@@H]1[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1(C)C ZINC000599434345 449973053 /nfs/dbraw/zinc/97/30/53/449973053.db2.gz ZGZIUVWCTIZFCI-GJZGRUSLSA-N 1 2 332.448 1.874 20 30 EDEDLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1cccc(C#N)c1 ZINC000601452421 449975686 /nfs/dbraw/zinc/97/56/86/449975686.db2.gz JOSGKENCLYQXBJ-JKSUJKDBSA-N 1 2 349.456 1.336 20 30 EDEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)nc1 ZINC000599444014 449979340 /nfs/dbraw/zinc/97/93/40/449979340.db2.gz OTEWOGMSTKOQTL-KRWDZBQOSA-N 1 2 332.404 1.354 20 30 EDEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)nc1 ZINC000599444014 449979341 /nfs/dbraw/zinc/97/93/41/449979341.db2.gz OTEWOGMSTKOQTL-KRWDZBQOSA-N 1 2 332.404 1.354 20 30 EDEDLO N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)CC2)n1 ZINC000597510484 450072519 /nfs/dbraw/zinc/07/25/19/450072519.db2.gz WOVDHNQGHJVSMQ-CYBMUJFWSA-N 1 2 336.399 1.130 20 30 EDEDLO N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)CC2)n1 ZINC000597510484 450072523 /nfs/dbraw/zinc/07/25/23/450072523.db2.gz WOVDHNQGHJVSMQ-CYBMUJFWSA-N 1 2 336.399 1.130 20 30 EDEDLO N#Cc1sccc1S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000599499353 450025611 /nfs/dbraw/zinc/02/56/11/450025611.db2.gz GLNWVOFMJMYKCS-UHFFFAOYSA-N 1 2 341.458 1.105 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 ZINC000609486284 450036161 /nfs/dbraw/zinc/03/61/61/450036161.db2.gz HKIMLTGAIWBCSL-UONOGXRCSA-N 1 2 337.468 1.165 20 30 EDEDLO CC1(C)[C@H](NC(=O)c2cc(O)cc(C#N)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000603117013 450078781 /nfs/dbraw/zinc/07/87/81/450078781.db2.gz OUVBUQMVAJHKAE-CVEARBPZSA-N 1 2 329.400 1.493 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3ccnc(C#N)c3)CC2)cn1 ZINC000603127446 450083711 /nfs/dbraw/zinc/08/37/11/450083711.db2.gz DZYUXNLOSRWLRN-UHFFFAOYSA-N 1 2 325.376 1.036 20 30 EDEDLO CCC(CC)[C@H](C(=O)NC1CCN(CC#N)CC1)[NH+]1CCOCC1 ZINC000610240256 450158198 /nfs/dbraw/zinc/15/81/98/450158198.db2.gz DPXRNQFHWUSHOU-QGZVFWFLSA-N 1 2 336.480 1.228 20 30 EDEDLO COC[C@]1(C)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000599697708 450161779 /nfs/dbraw/zinc/16/17/79/450161779.db2.gz PPJRTWLNNIOXDV-AEFFLSMTSA-N 1 2 329.400 1.401 20 30 EDEDLO COC[C@]1(C)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000599697708 450161782 /nfs/dbraw/zinc/16/17/82/450161782.db2.gz PPJRTWLNNIOXDV-AEFFLSMTSA-N 1 2 329.400 1.401 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@](F)(C#N)C1 ZINC000615639513 450180982 /nfs/dbraw/zinc/18/09/82/450180982.db2.gz MDWCRMBPTACWGW-PBHICJAKSA-N 1 2 331.395 1.056 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000610567074 450263901 /nfs/dbraw/zinc/26/39/01/450263901.db2.gz UMULIODTYQQNOY-SJLPKXTDSA-N 1 2 326.444 1.880 20 30 EDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000619719129 450319659 /nfs/dbraw/zinc/31/96/59/450319659.db2.gz XDOQWKUIACMBCZ-MRXNPFEDSA-N 1 2 334.391 1.882 20 30 EDEDLO C=CCN(CC1CCCCC1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631951001 450908920 /nfs/dbraw/zinc/90/89/20/450908920.db2.gz WDSILUXALJOKJM-MRXNPFEDSA-N 1 2 330.494 1.715 20 30 EDEDLO C=CCN(CC1CCCCC1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631951001 450908926 /nfs/dbraw/zinc/90/89/26/450908926.db2.gz WDSILUXALJOKJM-MRXNPFEDSA-N 1 2 330.494 1.715 20 30 EDEDLO C=C(C)CCc1noc([C@H]2OCC(=O)N(CC)[C@@H]2c2[nH+]ccn2C)n1 ZINC000624607099 450917964 /nfs/dbraw/zinc/91/79/64/450917964.db2.gz GFCUUUVCXWCZDA-GJZGRUSLSA-N 1 2 345.403 1.973 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000637119872 451730690 /nfs/dbraw/zinc/73/06/90/451730690.db2.gz WYQZABCTLYHALT-WMLDXEAASA-N 1 2 325.453 1.256 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000637119872 451730695 /nfs/dbraw/zinc/73/06/95/451730695.db2.gz WYQZABCTLYHALT-WMLDXEAASA-N 1 2 325.453 1.256 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COCc2ccc(Cl)cc2)nn1 ZINC000641197127 451776234 /nfs/dbraw/zinc/77/62/34/451776234.db2.gz DSNFQOLMJAHGSF-QGZVFWFLSA-N 1 2 348.834 1.622 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2csc(N(C(C)=O)C3CC3)n2)nn1 ZINC000641054665 451742478 /nfs/dbraw/zinc/74/24/78/451742478.db2.gz LGEJTTLWYQVXGQ-UHFFFAOYSA-N 1 2 344.444 1.411 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(Cl)cc2-n2cncn2)nn1 ZINC000641165562 451767234 /nfs/dbraw/zinc/76/72/34/451767234.db2.gz FUWQIHIFJAPZNN-UHFFFAOYSA-N 1 2 341.806 1.673 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ncc(Br)cn2)nn1 ZINC000641178681 451770482 /nfs/dbraw/zinc/77/04/82/451770482.db2.gz XAMDFLHPXZDGPK-SNVBAGLBSA-N 1 2 335.209 1.553 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2cc(C)ccc2Cl)nn1 ZINC000641224689 451789374 /nfs/dbraw/zinc/78/93/74/451789374.db2.gz NGLXQKGIRCRGCL-HNNXBMFYSA-N 1 2 348.834 1.793 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000653944721 452180254 /nfs/dbraw/zinc/18/02/54/452180254.db2.gz CHQGYGNANFWXBS-MSOLQXFVSA-N 1 2 330.428 1.982 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](CCc2cnccn2)CC1 ZINC000640096626 452421545 /nfs/dbraw/zinc/42/15/45/452421545.db2.gz FTLNRMOEXOMDHJ-KRWDZBQOSA-N 1 2 345.491 1.450 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CCc2cnccn2)CC1 ZINC000640096626 452421551 /nfs/dbraw/zinc/42/15/51/452421551.db2.gz FTLNRMOEXOMDHJ-KRWDZBQOSA-N 1 2 345.491 1.450 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000666020277 452535169 /nfs/dbraw/zinc/53/51/69/452535169.db2.gz FCMSMYDUSWVPBU-MRXNPFEDSA-N 1 2 330.432 1.769 20 30 EDEDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC000661883946 452649289 /nfs/dbraw/zinc/64/92/89/452649289.db2.gz JEMTZXZFMNMEQG-XHSDSOJGSA-N 1 2 339.844 1.435 20 30 EDEDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21 ZINC000661883946 452649293 /nfs/dbraw/zinc/64/92/93/452649293.db2.gz JEMTZXZFMNMEQG-XHSDSOJGSA-N 1 2 339.844 1.435 20 30 EDEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000665391725 453678668 /nfs/dbraw/zinc/67/86/68/453678668.db2.gz IZCPYSUGFFKZFG-IXDOHACOSA-N 1 2 339.480 1.456 20 30 EDEDLO Cc1nn(C)c(N2CCN(Cc3cn4cccc(C)c4[nH+]3)CC2)c1C#N ZINC000615972161 486821842 /nfs/dbraw/zinc/82/18/42/486821842.db2.gz LPOWECQQLYRAOG-UHFFFAOYSA-N 1 2 349.442 1.879 20 30 EDEDLO CCN1C(=O)[C@H]2C[N@H+](CC#Cc3ccccc3Cl)CCN2C1=O ZINC000676715946 486852397 /nfs/dbraw/zinc/85/23/97/486852397.db2.gz PKXLUOYUJUHTSA-OAHLLOKOSA-N 1 2 331.803 1.660 20 30 EDEDLO CCN1C(=O)[C@H]2C[N@@H+](CC#Cc3ccccc3Cl)CCN2C1=O ZINC000676715946 486852402 /nfs/dbraw/zinc/85/24/02/486852402.db2.gz PKXLUOYUJUHTSA-OAHLLOKOSA-N 1 2 331.803 1.660 20 30 EDEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 ZINC000677133307 486982649 /nfs/dbraw/zinc/98/26/49/486982649.db2.gz RALXGBWKFJNLHK-GOSISDBHSA-N 1 2 332.444 1.763 20 30 EDEDLO COCC#CC[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000677817346 487174692 /nfs/dbraw/zinc/17/46/92/487174692.db2.gz OGVOLAGIVIKEDB-UHFFFAOYSA-N 1 2 325.206 1.969 20 30 EDEDLO COCC#CC[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000677817346 487174696 /nfs/dbraw/zinc/17/46/96/487174696.db2.gz OGVOLAGIVIKEDB-UHFFFAOYSA-N 1 2 325.206 1.969 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)cc1 ZINC000678334520 487291394 /nfs/dbraw/zinc/29/13/94/487291394.db2.gz LHKBDDOHMVDWLJ-INIZCTEOSA-N 1 2 329.400 1.720 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)cc1 ZINC000678334520 487291397 /nfs/dbraw/zinc/29/13/97/487291397.db2.gz LHKBDDOHMVDWLJ-INIZCTEOSA-N 1 2 329.400 1.720 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000668647167 485992227 /nfs/dbraw/zinc/99/22/27/485992227.db2.gz IVBHLTPRIZLFQJ-MRXNPFEDSA-N 1 2 341.455 1.933 20 30 EDEDLO CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246506833 534664164 /nfs/dbraw/zinc/66/41/64/534664164.db2.gz QIMUUHUOVJAEFY-KBPBESRZSA-N 1 2 332.429 1.326 20 30 EDEDLO CC(=O)N[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246506833 534664168 /nfs/dbraw/zinc/66/41/68/534664168.db2.gz QIMUUHUOVJAEFY-KBPBESRZSA-N 1 2 332.429 1.326 20 30 EDEDLO C=CC[N@@H+](CCC(=O)Nc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000173359500 526273094 /nfs/dbraw/zinc/27/30/94/526273094.db2.gz CDRXKRUGGLOOGF-OAHLLOKOSA-N 1 2 336.457 1.999 20 30 EDEDLO C=CC[N@H+](CCC(=O)Nc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000173359500 526273101 /nfs/dbraw/zinc/27/31/01/526273101.db2.gz CDRXKRUGGLOOGF-OAHLLOKOSA-N 1 2 336.457 1.999 20 30 EDEDLO Cn1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)cn1 ZINC000363368461 527162760 /nfs/dbraw/zinc/16/27/60/527162760.db2.gz REXOAAFEWPYRRG-UHFFFAOYSA-N 1 2 341.390 1.825 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000123735075 527925426 /nfs/dbraw/zinc/92/54/26/527925426.db2.gz AHDUIXMGVOSKIF-KDOFPFPSSA-N 1 2 330.432 1.589 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000123735075 527925427 /nfs/dbraw/zinc/92/54/27/527925427.db2.gz AHDUIXMGVOSKIF-KDOFPFPSSA-N 1 2 330.432 1.589 20 30 EDEDLO N#Cc1ccccc1/C=C/C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000740738818 579383649 /nfs/dbraw/zinc/38/36/49/579383649.db2.gz OEWBKEVAHCNASG-AATRIKPKSA-N 1 2 336.399 1.007 20 30 EDEDLO CC#CCCCC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000788156646 579419343 /nfs/dbraw/zinc/41/93/43/579419343.db2.gz YVWMXNLQSCYSGU-GOSISDBHSA-N 1 2 338.411 1.836 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)cn1 ZINC000742853257 579464093 /nfs/dbraw/zinc/46/40/93/579464093.db2.gz GBEBFLJDRVBVRJ-OAHLLOKOSA-N 1 2 336.399 1.293 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)cn1 ZINC000742853257 579464094 /nfs/dbraw/zinc/46/40/94/579464094.db2.gz GBEBFLJDRVBVRJ-OAHLLOKOSA-N 1 2 336.399 1.293 20 30 EDEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000729294758 578563215 /nfs/dbraw/zinc/56/32/15/578563215.db2.gz VUAILSZPESXXQU-YOEHRIQHSA-N 1 2 346.427 1.418 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)COc3cccc(C#N)c3)CC2)cn1 ZINC000729973154 578604885 /nfs/dbraw/zinc/60/48/85/578604885.db2.gz FAARXDIIJBQXNB-UHFFFAOYSA-N 1 2 339.399 1.015 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC(=O)Nc1cccc(OC)c1 ZINC000730096136 578613889 /nfs/dbraw/zinc/61/38/89/578613889.db2.gz FAAJLDNLLNSQHS-KRWDZBQOSA-N 1 2 343.427 1.580 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC(=O)Nc1cccc(OC)c1 ZINC000730096136 578613890 /nfs/dbraw/zinc/61/38/90/578613890.db2.gz FAAJLDNLLNSQHS-KRWDZBQOSA-N 1 2 343.427 1.580 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)OCCOC)c1 ZINC000730280297 578638873 /nfs/dbraw/zinc/63/88/73/578638873.db2.gz OMYURNRULWTFRC-INIZCTEOSA-N 1 2 345.399 1.918 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)OCCOC)c1 ZINC000730280297 578638875 /nfs/dbraw/zinc/63/88/75/578638875.db2.gz OMYURNRULWTFRC-INIZCTEOSA-N 1 2 345.399 1.918 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732815577 578731704 /nfs/dbraw/zinc/73/17/04/578731704.db2.gz XPRBDCPHKDITKD-QWHCGFSZSA-N 1 2 347.381 1.671 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732815577 578731705 /nfs/dbraw/zinc/73/17/05/578731705.db2.gz XPRBDCPHKDITKD-QWHCGFSZSA-N 1 2 347.381 1.671 20 30 EDEDLO N#CCOc1cc(F)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000760978130 580043159 /nfs/dbraw/zinc/04/31/59/580043159.db2.gz QHCYUKZQUHJVMW-UHFFFAOYSA-N 1 2 338.302 1.956 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCOc3c(Cl)cccc32)CC1 ZINC000760991149 580043742 /nfs/dbraw/zinc/04/37/42/580043742.db2.gz KEUQFZMQXHZHNK-UHFFFAOYSA-N 1 2 333.819 1.316 20 30 EDEDLO C=CCN1CC(=O)N(C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)C1=O ZINC000761005763 580044301 /nfs/dbraw/zinc/04/43/01/580044301.db2.gz OWNYLQBINZNROA-KRWDZBQOSA-N 1 2 343.427 1.819 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000739911675 579266926 /nfs/dbraw/zinc/26/69/26/579266926.db2.gz AFHLZIWZHYNBQG-RDJZCZTQSA-N 1 2 329.400 1.620 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000739911675 579266927 /nfs/dbraw/zinc/26/69/27/579266927.db2.gz AFHLZIWZHYNBQG-RDJZCZTQSA-N 1 2 329.400 1.620 20 30 EDEDLO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000744398598 579509429 /nfs/dbraw/zinc/50/94/29/579509429.db2.gz VAAYFGADOKQRTF-XJKSGUPXSA-N 1 2 326.400 1.655 20 30 EDEDLO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000744398598 579509430 /nfs/dbraw/zinc/50/94/30/579509430.db2.gz VAAYFGADOKQRTF-XJKSGUPXSA-N 1 2 326.400 1.655 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](NC(=O)c2cccs2)C(C)C)CC1 ZINC000744422913 579510213 /nfs/dbraw/zinc/51/02/13/579510213.db2.gz GDBIJXHMHPPHKH-OAHLLOKOSA-N 1 2 333.457 1.280 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CC3(CCC3)c3c2cccc3F)CC1 ZINC000748814115 579701047 /nfs/dbraw/zinc/70/10/47/579701047.db2.gz ZSYUQUZARZYIDP-UHFFFAOYSA-N 1 2 341.430 1.845 20 30 EDEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000777961046 580453610 /nfs/dbraw/zinc/45/36/10/580453610.db2.gz TUWYVMLMNDSKPC-UHFFFAOYSA-N 1 2 331.372 1.451 20 30 EDEDLO C=C(C)C[N@H+](C)CN1C(=O)C(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000777961046 580453611 /nfs/dbraw/zinc/45/36/11/580453611.db2.gz TUWYVMLMNDSKPC-UHFFFAOYSA-N 1 2 331.372 1.451 20 30 EDEDLO CC(=NNc1nc2[nH][nH]cc-2c(=O)n1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000751528766 579811823 /nfs/dbraw/zinc/81/18/23/579811823.db2.gz LFKOKYHISHCFCT-UHFFFAOYSA-N 1 2 348.370 1.762 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000752060916 579836558 /nfs/dbraw/zinc/83/65/58/579836558.db2.gz UAKRGDMFRIOTHD-WBVHZDCISA-N 1 2 339.399 1.776 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000752060916 579836560 /nfs/dbraw/zinc/83/65/60/579836560.db2.gz UAKRGDMFRIOTHD-WBVHZDCISA-N 1 2 339.399 1.776 20 30 EDEDLO CC(=O)OC1CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000753189926 579874577 /nfs/dbraw/zinc/87/45/77/579874577.db2.gz HMDFHEXLEWKBKL-UHFFFAOYSA-N 1 2 340.383 1.448 20 30 EDEDLO C#CCOCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000753233388 579875311 /nfs/dbraw/zinc/87/53/11/579875311.db2.gz XOYVILHFNXFPAX-HNNXBMFYSA-N 1 2 333.407 1.102 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCCCCC(C)=O)CC1 ZINC000754423962 579903081 /nfs/dbraw/zinc/90/30/81/579903081.db2.gz WYOSEGMKZDKNKS-UHFFFAOYSA-N 1 2 349.475 1.200 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCCCCC(C)=O)CC1 ZINC000754423962 579903082 /nfs/dbraw/zinc/90/30/82/579903082.db2.gz WYOSEGMKZDKNKS-UHFFFAOYSA-N 1 2 349.475 1.200 20 30 EDEDLO Cc1cccn2c(CN=Nc3ccc(S(N)(=O)=O)cn3)c[nH+]c12 ZINC000755636894 579931494 /nfs/dbraw/zinc/93/14/94/579931494.db2.gz ZBBFTEHIMBKUJF-UHFFFAOYSA-N 1 2 330.373 1.131 20 30 EDEDLO COc1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)cc(O)c1O ZINC000761860529 580062787 /nfs/dbraw/zinc/06/27/87/580062787.db2.gz KUHWJUPIERZGSV-UHFFFAOYSA-N 1 2 326.316 1.528 20 30 EDEDLO CC[N@H+](CC(=O)NC)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000764202964 580115441 /nfs/dbraw/zinc/11/54/41/580115441.db2.gz VVQWKCHNGZTXFL-CYBMUJFWSA-N 1 2 334.395 1.529 20 30 EDEDLO CC[N@@H+](CC(=O)NC)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000764202964 580115442 /nfs/dbraw/zinc/11/54/42/580115442.db2.gz VVQWKCHNGZTXFL-CYBMUJFWSA-N 1 2 334.395 1.529 20 30 EDEDLO C[C@@H]1CC(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)=NO1 ZINC000765375139 580140642 /nfs/dbraw/zinc/14/06/42/580140642.db2.gz FTFKBNZDSBSHEO-GFCCVEGCSA-N 1 2 341.371 1.764 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1ccc(C)cc1O ZINC000767083359 580181271 /nfs/dbraw/zinc/18/12/71/580181271.db2.gz LZEMAVGWXXHHDC-UHFFFAOYSA-N 1 2 336.461 1.221 20 30 EDEDLO COc1ccc(Cn2nc(C)c(C=NNC3=[NH+]C[C@H](C)N3)c2C)cc1 ZINC000767385440 580188081 /nfs/dbraw/zinc/18/80/81/580188081.db2.gz IVSQXDWLEMMVAI-LBPRGKRZSA-N 1 2 340.431 1.828 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)[C@@H]1CCCO1 ZINC000773560613 580341409 /nfs/dbraw/zinc/34/14/09/580341409.db2.gz PIPFAHMHWHKMCW-MSOLQXFVSA-N 1 2 345.418 1.834 20 30 EDEDLO Fc1cc(Cl)cc(C=NNC(=S)NCC[NH+]2CCOCC2)c1 ZINC000776720471 580427147 /nfs/dbraw/zinc/42/71/47/580427147.db2.gz OANIMYUGYGHGSH-UHFFFAOYSA-N 1 2 344.843 1.609 20 30 EDEDLO C=CC[N@H+](CCc1ccco1)CN1C(=O)NC2(CCOCC2)C1=O ZINC000778584636 580468033 /nfs/dbraw/zinc/46/80/33/580468033.db2.gz HTNGSLWUTKKVQY-UHFFFAOYSA-N 1 2 333.388 1.369 20 30 EDEDLO C=CC[N@@H+](CCc1ccco1)CN1C(=O)NC2(CCOCC2)C1=O ZINC000778584636 580468034 /nfs/dbraw/zinc/46/80/34/580468034.db2.gz HTNGSLWUTKKVQY-UHFFFAOYSA-N 1 2 333.388 1.369 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000779158374 580480418 /nfs/dbraw/zinc/48/04/18/580480418.db2.gz PLNFFPPFTDGNHU-LBPRGKRZSA-N 1 2 342.848 1.476 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000779158374 580480419 /nfs/dbraw/zinc/48/04/19/580480419.db2.gz PLNFFPPFTDGNHU-LBPRGKRZSA-N 1 2 342.848 1.476 20 30 EDEDLO CC(C)[C@H]1C[N@H+](CC(=O)NCCC#N)CCN1C(=O)OC(C)(C)C ZINC000781987982 580562592 /nfs/dbraw/zinc/56/25/92/580562592.db2.gz DKHGJCFIECWFOY-CQSZACIVSA-N 1 2 338.452 1.594 20 30 EDEDLO CC(C)[C@H]1C[N@@H+](CC(=O)NCCC#N)CCN1C(=O)OC(C)(C)C ZINC000781987982 580562593 /nfs/dbraw/zinc/56/25/93/580562593.db2.gz DKHGJCFIECWFOY-CQSZACIVSA-N 1 2 338.452 1.594 20 30 EDEDLO CN(C)c1cc(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)cc[nH+]1 ZINC000782112448 580566538 /nfs/dbraw/zinc/56/65/38/580566538.db2.gz RHDNGWAFMVOFNU-IBGZPJMESA-N 1 2 349.394 1.986 20 30 EDEDLO C[C@@H]1C[C@H](CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000783029494 580592012 /nfs/dbraw/zinc/59/20/12/580592012.db2.gz NXWCURALMGTATD-NVXWUHKLSA-N 1 2 347.459 1.971 20 30 EDEDLO CC(N=Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1[nH]cc[nH+]1 ZINC000790157658 580763608 /nfs/dbraw/zinc/76/36/08/580763608.db2.gz JEEKWYHOMNLFNR-UHFFFAOYSA-N 1 2 334.405 1.425 20 30 EDEDLO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nnnn1C1CC1 ZINC000790553547 580772890 /nfs/dbraw/zinc/77/28/90/580772890.db2.gz CUYCGRSYGIGSTP-ABAIWWIYSA-N 1 2 337.387 1.336 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(Cc2c(F)cccc2F)C2CC2)CC1 ZINC000792322491 580817487 /nfs/dbraw/zinc/81/74/87/580817487.db2.gz DSPSSGGPZUURKE-UHFFFAOYSA-N 1 2 347.409 1.707 20 30 EDEDLO CCOC(=O)c1cc(C=NNc2ccc(-n3cc[nH+]c3)nn2)on1 ZINC000793050542 580834779 /nfs/dbraw/zinc/83/47/79/580834779.db2.gz BFECBHWUVIIRDR-UHFFFAOYSA-N 1 2 327.304 1.273 20 30 EDEDLO N#Cc1c(=O)n(C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc2c1CCCC2 ZINC000793518043 580846851 /nfs/dbraw/zinc/84/68/51/580846851.db2.gz FLXVASYHTXCGHZ-LJQANCHMSA-N 1 2 343.427 1.438 20 30 EDEDLO N#Cc1c(=O)n(C[N@H+]2CCO[C@]3(CCCOC3)C2)cc2c1CCCC2 ZINC000793518043 580846852 /nfs/dbraw/zinc/84/68/52/580846852.db2.gz FLXVASYHTXCGHZ-LJQANCHMSA-N 1 2 343.427 1.438 20 30 EDEDLO C#C[C@@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)[C@H]1CCCO1 ZINC000793854731 580858112 /nfs/dbraw/zinc/85/81/12/580858112.db2.gz DOFMKRAPNVQDMO-CZUORRHYSA-N 1 2 333.338 1.920 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2COC ZINC000793909737 580859917 /nfs/dbraw/zinc/85/99/17/580859917.db2.gz MRWPOTQZVRNNEO-KRWDZBQOSA-N 1 2 341.411 1.606 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2COC ZINC000793909737 580859918 /nfs/dbraw/zinc/85/99/18/580859918.db2.gz MRWPOTQZVRNNEO-KRWDZBQOSA-N 1 2 341.411 1.606 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000795827453 580938549 /nfs/dbraw/zinc/93/85/49/580938549.db2.gz YYTORISMSYEQIL-OKZBNKHCSA-N 1 2 339.395 1.647 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000795827453 580938550 /nfs/dbraw/zinc/93/85/50/580938550.db2.gz YYTORISMSYEQIL-OKZBNKHCSA-N 1 2 339.395 1.647 20 30 EDEDLO COCCn1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 ZINC000798274704 580992801 /nfs/dbraw/zinc/99/28/01/580992801.db2.gz JEKNIAGWPYQPLE-GJZGRUSLSA-N 1 2 349.435 1.378 20 30 EDEDLO C=CCN1CC[C@@H](OC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1=O ZINC000798623130 581003091 /nfs/dbraw/zinc/00/30/91/581003091.db2.gz AFMNYNGDEUZGFV-RHSMWYFYSA-N 1 2 328.412 1.763 20 30 EDEDLO C=CCN1CC[C@@H](OC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C1=O ZINC000798623130 581003092 /nfs/dbraw/zinc/00/30/92/581003092.db2.gz AFMNYNGDEUZGFV-RHSMWYFYSA-N 1 2 328.412 1.763 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)C1=O ZINC000799122912 581017469 /nfs/dbraw/zinc/01/74/69/581017469.db2.gz IQIRWSVZXSOAHM-DLBZAZTESA-N 1 2 328.412 1.981 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)C1=O ZINC000799122912 581017470 /nfs/dbraw/zinc/01/74/70/581017470.db2.gz IQIRWSVZXSOAHM-DLBZAZTESA-N 1 2 328.412 1.981 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@@H](c3cccc(C)c3)CC2=O)C1=O ZINC000799142080 581018523 /nfs/dbraw/zinc/01/85/23/581018523.db2.gz JVKLEASDJVREPB-ZWKOTPCHSA-N 1 2 341.455 1.987 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@@H](c3cccc(C)c3)CC2=O)C1=O ZINC000799142080 581018524 /nfs/dbraw/zinc/01/85/24/581018524.db2.gz JVKLEASDJVREPB-ZWKOTPCHSA-N 1 2 341.455 1.987 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000799209505 581022398 /nfs/dbraw/zinc/02/23/98/581022398.db2.gz WMUXQMMLMUDBMH-INIZCTEOSA-N 1 2 331.416 1.415 20 30 EDEDLO Cc1[nH+]c(C(C)N=Nc2ccc(S(=O)(=O)NC3CC3)cn2)cn1C ZINC000800810226 581058807 /nfs/dbraw/zinc/05/88/07/581058807.db2.gz MZKZTZLRULRUHC-UHFFFAOYSA-N 1 2 348.432 1.400 20 30 EDEDLO CC(=NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cn(C)c(C)[nH+]1 ZINC000800813721 581058823 /nfs/dbraw/zinc/05/88/23/581058823.db2.gz HVSBFXGKVAUNKO-UHFFFAOYSA-N 1 2 337.361 1.339 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000801943691 581088670 /nfs/dbraw/zinc/08/86/70/581088670.db2.gz DSSMBAABSYNLDT-VIFPVBQESA-N 1 2 335.355 1.608 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+]2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000892040286 590766655 /nfs/dbraw/zinc/76/66/55/590766655.db2.gz ZZKUMDNZPXOACP-IJEWVQPXSA-N 1 2 334.464 1.962 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CCN(C3CC3)[C@H](C#N)C2)C1 ZINC000892040286 590766656 /nfs/dbraw/zinc/76/66/56/590766656.db2.gz ZZKUMDNZPXOACP-IJEWVQPXSA-N 1 2 334.464 1.962 20 30 EDEDLO Cc1nc(C[NH+]2CCN(c3ccc(C#N)cc3CO)CC2)oc1C ZINC000892318361 590941330 /nfs/dbraw/zinc/94/13/30/590941330.db2.gz CVOFYLBKXZCMBY-UHFFFAOYSA-N 1 2 326.400 1.978 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@H](C)Oc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893562759 590961802 /nfs/dbraw/zinc/96/18/02/590961802.db2.gz OFUNXIYRINEKMI-PNPHSEOMSA-N 1 2 346.383 1.505 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@H](C)Oc2ccc(C#N)cc2)C[N@H+]1C ZINC000893562759 590961805 /nfs/dbraw/zinc/96/18/05/590961805.db2.gz OFUNXIYRINEKMI-PNPHSEOMSA-N 1 2 346.383 1.505 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)c2cc(C#N)cc(N(C)C)c2)C[N@@H+]1C ZINC000893574811 590977494 /nfs/dbraw/zinc/97/74/94/590977494.db2.gz MXNGQWJSYRULLL-YJBOKZPZSA-N 1 2 345.399 1.417 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)c2cc(C#N)cc(N(C)C)c2)C[N@H+]1C ZINC000893574811 590977496 /nfs/dbraw/zinc/97/74/96/590977496.db2.gz MXNGQWJSYRULLL-YJBOKZPZSA-N 1 2 345.399 1.417 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)c(OC)c2C)C1 ZINC000891608298 591146480 /nfs/dbraw/zinc/14/64/80/591146480.db2.gz UTZGCCBSXJZKHI-HNNXBMFYSA-N 1 2 343.427 1.464 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)c(OC)c2C)C1 ZINC000891608298 591146482 /nfs/dbraw/zinc/14/64/82/591146482.db2.gz UTZGCCBSXJZKHI-HNNXBMFYSA-N 1 2 343.427 1.464 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCC=C)c2)C1 ZINC000891606243 591146513 /nfs/dbraw/zinc/14/65/13/591146513.db2.gz DHYYRZLGRWICPJ-INIZCTEOSA-N 1 2 341.411 1.404 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCC=C)c2)C1 ZINC000891606243 591146516 /nfs/dbraw/zinc/14/65/16/591146516.db2.gz DHYYRZLGRWICPJ-INIZCTEOSA-N 1 2 341.411 1.404 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(COCC)c2)C1 ZINC000891606712 591147379 /nfs/dbraw/zinc/14/73/79/591147379.db2.gz OUCBGEHGYKIRIZ-QGZVFWFLSA-N 1 2 343.427 1.375 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(COCC)c2)C1 ZINC000891606712 591147380 /nfs/dbraw/zinc/14/73/80/591147380.db2.gz OUCBGEHGYKIRIZ-QGZVFWFLSA-N 1 2 343.427 1.375 20 30 EDEDLO Cc1cc(F)c(C#N)c(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC000891652565 591169681 /nfs/dbraw/zinc/16/96/81/591169681.db2.gz BBXTTYGDBQQEFW-CYBMUJFWSA-N 1 2 330.407 1.795 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/C=C(Cl)Cl)CC1 ZINC000896181727 591372490 /nfs/dbraw/zinc/37/24/90/591372490.db2.gz NLOUYVBQPZPZHI-ZZXKWVIFSA-N 1 2 344.242 1.145 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/C=C(Cl)Cl)CC1 ZINC000896181727 591372493 /nfs/dbraw/zinc/37/24/93/591372493.db2.gz NLOUYVBQPZPZHI-ZZXKWVIFSA-N 1 2 344.242 1.145 20 30 EDEDLO COC(=O)c1c(C[N@@H+]2CC[C@](O)(CC#N)C2)c2cc(F)ccc2n1C ZINC000895080003 591571981 /nfs/dbraw/zinc/57/19/81/591571981.db2.gz YUZXURDQNQNVTL-GOSISDBHSA-N 1 2 345.374 1.954 20 30 EDEDLO COC(=O)c1c(C[N@H+]2CC[C@](O)(CC#N)C2)c2cc(F)ccc2n1C ZINC000895080003 591571985 /nfs/dbraw/zinc/57/19/85/591571985.db2.gz YUZXURDQNQNVTL-GOSISDBHSA-N 1 2 345.374 1.954 20 30 EDEDLO COC(=O)[C@@H]1[C@@H](C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)C1(F)F ZINC000897595666 591574943 /nfs/dbraw/zinc/57/49/43/591574943.db2.gz FHVXAQNPCHPDTG-ILXRZTDVSA-N 1 2 336.338 1.986 20 30 EDEDLO COC(=O)[C@@H]1[C@@H](C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)C1(F)F ZINC000897595666 591574945 /nfs/dbraw/zinc/57/49/45/591574945.db2.gz FHVXAQNPCHPDTG-ILXRZTDVSA-N 1 2 336.338 1.986 20 30 EDEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000898893507 591588192 /nfs/dbraw/zinc/58/81/92/591588192.db2.gz DQIVHNBEOOZOSK-AWEZNQCLSA-N 1 2 330.363 1.558 20 30 EDEDLO Cn1nc(C(F)(F)F)c(C[NH2+][C@H]2CCCN(O)C2=O)c1Cl ZINC000895163613 591629761 /nfs/dbraw/zinc/62/97/61/591629761.db2.gz WQFMWWDUVPKAEX-ZETCQYMHSA-N 1 2 326.706 1.562 20 30 EDEDLO C#CCNC(=O)c1ccccc1NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900403173 592008967 /nfs/dbraw/zinc/00/89/67/592008967.db2.gz WQPHURXFOBJQHU-SQFISAMPSA-N 1 2 341.411 1.267 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2c(O)cnc3c(F)cccc32)CC1 ZINC000900473683 592035232 /nfs/dbraw/zinc/03/52/32/592035232.db2.gz IDKIEOWESRZVFN-UHFFFAOYSA-N 1 2 327.359 1.861 20 30 EDEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N(CC#N)c2ccccn2)C1 ZINC000903170239 592132996 /nfs/dbraw/zinc/13/29/96/592132996.db2.gz YPEFKEAZRQCJGR-UHFFFAOYSA-N 1 2 342.424 1.788 20 30 EDEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N(CC#N)c2ccccn2)C1 ZINC000903170239 592132999 /nfs/dbraw/zinc/13/29/99/592132999.db2.gz YPEFKEAZRQCJGR-UHFFFAOYSA-N 1 2 342.424 1.788 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000906833439 592359536 /nfs/dbraw/zinc/35/95/36/592359536.db2.gz ORZRRDXHZYPUHC-INIZCTEOSA-N 1 2 336.457 1.303 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000906833439 592359542 /nfs/dbraw/zinc/35/95/42/592359542.db2.gz ORZRRDXHZYPUHC-INIZCTEOSA-N 1 2 336.457 1.303 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000907142177 592528653 /nfs/dbraw/zinc/52/86/53/592528653.db2.gz VAPIQSJZOCIGES-CQSZACIVSA-N 1 2 336.457 1.134 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000907142177 592528655 /nfs/dbraw/zinc/52/86/55/592528655.db2.gz VAPIQSJZOCIGES-CQSZACIVSA-N 1 2 336.457 1.134 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000905466334 592543108 /nfs/dbraw/zinc/54/31/08/592543108.db2.gz YXLAJMFHSIXVMH-UHFFFAOYSA-N 1 2 331.397 1.987 20 30 EDEDLO Cc1ccc(Br)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000905496394 592553490 /nfs/dbraw/zinc/55/34/90/592553490.db2.gz SOFARLYVQSZHDI-CYBMUJFWSA-N 1 2 325.210 1.726 20 30 EDEDLO C=CC[C@H]([NH2+]C[C@@H](c1ccc(OC)cc1)N1CCOCC1)C(=O)OC ZINC000905747118 592628374 /nfs/dbraw/zinc/62/83/74/592628374.db2.gz JJRGMDSHYWNWRL-ROUUACIJSA-N 1 2 348.443 1.776 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)Nc2ccccc2S(=O)(=O)C2CC2)CC1 ZINC000906384898 592814484 /nfs/dbraw/zinc/81/44/84/592814484.db2.gz LFNBLDNNLAPQLU-UHFFFAOYSA-N 1 2 346.452 1.906 20 30 EDEDLO C[C@@H]1C[N@H+](C)C[C@@H](c2nnc(N3CCC[C@@H](C#N)C3)n2CC2CC2)O1 ZINC000910394482 592858098 /nfs/dbraw/zinc/85/80/98/592858098.db2.gz HVXLORJBVGBQPM-KBMXLJTQSA-N 1 2 344.463 1.820 20 30 EDEDLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nnc(N3CCC[C@@H](C#N)C3)n2CC2CC2)O1 ZINC000910394482 592858100 /nfs/dbraw/zinc/85/81/00/592858100.db2.gz HVXLORJBVGBQPM-KBMXLJTQSA-N 1 2 344.463 1.820 20 30 EDEDLO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000736821873 593040831 /nfs/dbraw/zinc/04/08/31/593040831.db2.gz HINPEADPRKDIJN-MRXNPFEDSA-N 1 2 347.382 1.397 20 30 EDEDLO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000736821873 593040832 /nfs/dbraw/zinc/04/08/32/593040832.db2.gz HINPEADPRKDIJN-MRXNPFEDSA-N 1 2 347.382 1.397 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888426078 593057359 /nfs/dbraw/zinc/05/73/59/593057359.db2.gz JVEJBUDWODMFJI-BDAKNGLRSA-N 1 2 343.840 1.899 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888426078 593057360 /nfs/dbraw/zinc/05/73/60/593057360.db2.gz JVEJBUDWODMFJI-BDAKNGLRSA-N 1 2 343.840 1.899 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000912392988 593092422 /nfs/dbraw/zinc/09/24/22/593092422.db2.gz QNJNSWFOIJJQCY-FHQWLQQXSA-N 1 2 330.428 1.959 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000912392988 593092423 /nfs/dbraw/zinc/09/24/23/593092423.db2.gz QNJNSWFOIJJQCY-FHQWLQQXSA-N 1 2 330.428 1.959 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@H]2CCCC(F)(F)C2)CC1 ZINC000809392165 593336148 /nfs/dbraw/zinc/33/61/48/593336148.db2.gz KMPKNKSRVXHVKM-AWEZNQCLSA-N 1 2 334.432 1.783 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccccc1CC#N ZINC000803516443 593338876 /nfs/dbraw/zinc/33/88/76/593338876.db2.gz YIJQRTNFRLMNDY-YJBOKZPZSA-N 1 2 327.428 1.617 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000809575994 593347162 /nfs/dbraw/zinc/34/71/62/593347162.db2.gz OHDXVCDOCRNJNI-CZUORRHYSA-N 1 2 334.395 1.045 20 30 EDEDLO COC(=O)[C@H]1CSCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000840186586 593366323 /nfs/dbraw/zinc/36/63/23/593366323.db2.gz PQICKTGLUNQDEW-CYBMUJFWSA-N 1 2 347.440 1.004 20 30 EDEDLO COC(=O)[C@H]1CSCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000840186586 593366325 /nfs/dbraw/zinc/36/63/25/593366325.db2.gz PQICKTGLUNQDEW-CYBMUJFWSA-N 1 2 347.440 1.004 20 30 EDEDLO C#Cc1cncc(C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)c1 ZINC000806413890 593444765 /nfs/dbraw/zinc/44/47/65/593444765.db2.gz JEIGLCSFYHECLR-UHFFFAOYSA-N 1 2 342.443 1.079 20 30 EDEDLO C#Cc1cncc(C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)c1 ZINC000806413890 593444766 /nfs/dbraw/zinc/44/47/66/593444766.db2.gz JEIGLCSFYHECLR-UHFFFAOYSA-N 1 2 342.443 1.079 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)cc2)OC)CC1 ZINC000812911080 593512433 /nfs/dbraw/zinc/51/24/33/593512433.db2.gz JKGACMOJNXZWGO-UHFFFAOYSA-N 1 2 335.835 1.481 20 30 EDEDLO C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000817844806 593640668 /nfs/dbraw/zinc/64/06/68/593640668.db2.gz YHDNVGMGHOENFT-MRXNPFEDSA-N 1 2 336.395 1.413 20 30 EDEDLO CN1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1=O ZINC000818676570 593713225 /nfs/dbraw/zinc/71/32/25/593713225.db2.gz DMLQZWHKNBODEL-KRWDZBQOSA-N 1 2 340.427 1.071 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000820605739 593843071 /nfs/dbraw/zinc/84/30/71/593843071.db2.gz QKVUZOLSLPBKCX-SFHVURJKSA-N 1 2 337.427 1.622 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCn3cc[nH+]c32)c1 ZINC000820948058 593927058 /nfs/dbraw/zinc/92/70/58/593927058.db2.gz NPIQPVJHLHJRBN-HNNXBMFYSA-N 1 2 343.408 1.555 20 30 EDEDLO C#CCO[C@H](C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000822235640 594015790 /nfs/dbraw/zinc/01/57/90/594015790.db2.gz OUTGRCZEWMJSNH-AEFFLSMTSA-N 1 2 330.428 1.523 20 30 EDEDLO C#C[C@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)C1CCOCC1 ZINC000823158139 594161843 /nfs/dbraw/zinc/16/18/43/594161843.db2.gz CHMPLNOZPHMCPW-SFHVURJKSA-N 1 2 349.475 1.169 20 30 EDEDLO O=C(C#Cc1cccs1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000825693538 594227320 /nfs/dbraw/zinc/22/73/20/594227320.db2.gz BQFQWAMWQKGGJB-UHFFFAOYSA-N 1 2 330.413 1.267 20 30 EDEDLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000826175864 594363320 /nfs/dbraw/zinc/36/33/20/594363320.db2.gz STDVYTLAXFQTHQ-LBPRGKRZSA-N 1 2 342.403 1.878 20 30 EDEDLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000826175864 594363322 /nfs/dbraw/zinc/36/33/22/594363322.db2.gz STDVYTLAXFQTHQ-LBPRGKRZSA-N 1 2 342.403 1.878 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000828742200 594491867 /nfs/dbraw/zinc/49/18/67/594491867.db2.gz DFTAVAPUQITXGM-GXTWGEPZSA-N 1 2 338.477 1.093 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000828742205 594492071 /nfs/dbraw/zinc/49/20/71/594492071.db2.gz DFTAVAPUQITXGM-TZMCWYRMSA-N 1 2 338.477 1.093 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC2CC2)CC1 ZINC000830846700 594494259 /nfs/dbraw/zinc/49/42/59/594494259.db2.gz HJWUJGMXUDNEHL-UHFFFAOYSA-N 1 2 336.443 1.814 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(C(C)C)c2)CC1 ZINC000826549190 594522717 /nfs/dbraw/zinc/52/27/17/594522717.db2.gz AOMARAGJNDJTGC-UHFFFAOYSA-N 1 2 341.455 1.707 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C(C)C)c2)CC1 ZINC000826549190 594522719 /nfs/dbraw/zinc/52/27/19/594522719.db2.gz AOMARAGJNDJTGC-UHFFFAOYSA-N 1 2 341.455 1.707 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831468811 594636641 /nfs/dbraw/zinc/63/66/41/594636641.db2.gz WJQVHPQVYXGIRJ-KSSFIOAISA-N 1 2 347.438 1.786 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000831517809 594680213 /nfs/dbraw/zinc/68/02/13/594680213.db2.gz IIIKOUYLWWLMIL-MRXNPFEDSA-N 1 2 345.447 1.483 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000831691698 594693011 /nfs/dbraw/zinc/69/30/11/594693011.db2.gz UANZJZYJVXKASQ-INIZCTEOSA-N 1 2 341.411 1.961 20 30 EDEDLO CC(C)C[C@H](C)N(C)C(=O)CON=C(N)C[NH+]1CCSCC1 ZINC000121490315 594837208 /nfs/dbraw/zinc/83/72/08/594837208.db2.gz IENCIXUZQGINLJ-ZDUSSCGKSA-N 1 2 330.498 1.217 20 30 EDEDLO NC(C[NH+]1CCSCC1)=NOCC(=O)Nc1ccccc1Cl ZINC000121437812 594874116 /nfs/dbraw/zinc/87/41/16/594874116.db2.gz BEPDIBFQBQWGHP-UHFFFAOYSA-N 1 2 342.852 1.616 20 30 EDEDLO CCn1c[nH+]cc1C=NNC(=S)NCc1ccc2c(c1)OCO2 ZINC000841611194 594928895 /nfs/dbraw/zinc/92/88/95/594928895.db2.gz YBXWSZJSXYRIEP-UHFFFAOYSA-N 1 2 331.401 1.630 20 30 EDEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(C)n(CC(=O)N(C)C)c2=S)C1 ZINC000842629473 595150475 /nfs/dbraw/zinc/15/04/75/595150475.db2.gz NPZUBKZFFWPFHX-CQSZACIVSA-N 1 2 335.477 1.504 20 30 EDEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(C)n(CC(=O)N(C)C)c2=S)C1 ZINC000842629473 595150478 /nfs/dbraw/zinc/15/04/78/595150478.db2.gz NPZUBKZFFWPFHX-CQSZACIVSA-N 1 2 335.477 1.504 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N2Cc3cccc(C#N)c3C2)c(N(C)C)[nH+]1 ZINC000846213407 595175530 /nfs/dbraw/zinc/17/55/30/595175530.db2.gz SEDVNDRQVLAAFB-UHFFFAOYSA-N 1 2 349.394 1.809 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc2[nH]c1=S ZINC000834820992 595222842 /nfs/dbraw/zinc/22/28/42/595222842.db2.gz HWEGKPLSWSZOKS-NXEZZACHSA-N 1 2 332.429 1.337 20 30 EDEDLO Cc1cc(Cl)cc(C#N)c1OS(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000867422498 595236470 /nfs/dbraw/zinc/23/64/70/595236470.db2.gz MOKHWTHGRRCCHN-CYBMUJFWSA-N 1 2 344.820 1.559 20 30 EDEDLO Cc1cc(Cl)cc(C#N)c1OS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000867422498 595236472 /nfs/dbraw/zinc/23/64/72/595236472.db2.gz MOKHWTHGRRCCHN-CYBMUJFWSA-N 1 2 344.820 1.559 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1csc(C)c1 ZINC000834920222 595238644 /nfs/dbraw/zinc/23/86/44/595238644.db2.gz PDGRGYIEPDQOCC-UHFFFAOYSA-N 1 2 326.491 1.577 20 30 EDEDLO C#Cc1ccccc1CC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842962066 595243759 /nfs/dbraw/zinc/24/37/59/595243759.db2.gz CNFZZHHCIFCBAO-CRAIPNDOSA-N 1 2 331.412 1.489 20 30 EDEDLO C#Cc1ccccc1CC(=O)O[C@@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842962066 595243760 /nfs/dbraw/zinc/24/37/60/595243760.db2.gz CNFZZHHCIFCBAO-CRAIPNDOSA-N 1 2 331.412 1.489 20 30 EDEDLO Oc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)c(F)c1 ZINC000844566715 595360047 /nfs/dbraw/zinc/36/00/47/595360047.db2.gz HDYIJIXCRSPRAE-UHFFFAOYSA-N 1 2 340.424 1.052 20 30 EDEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(OCC(=O)N(C)C)cc1 ZINC000848418719 595375928 /nfs/dbraw/zinc/37/59/28/595375928.db2.gz MIFKJQBJFXJZNA-UHFFFAOYSA-N 1 2 343.431 1.754 20 30 EDEDLO COc1cccc([C@@H](C#N)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1OC ZINC000847444774 595420821 /nfs/dbraw/zinc/42/08/21/595420821.db2.gz KWPNFWVGIPMUHE-SMDDNHRTSA-N 1 2 328.372 1.987 20 30 EDEDLO COc1cccc([C@@H](C#N)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1OC ZINC000847444774 595420818 /nfs/dbraw/zinc/42/08/18/595420818.db2.gz KWPNFWVGIPMUHE-SMDDNHRTSA-N 1 2 328.372 1.987 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)CC1 ZINC000112921130 595570271 /nfs/dbraw/zinc/57/02/71/595570271.db2.gz WBZXODVHYIBMOH-WMLDXEAASA-N 1 2 325.412 1.672 20 30 EDEDLO C[C@H](CC#N)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000849848349 595673679 /nfs/dbraw/zinc/67/36/79/595673679.db2.gz IWQXENMZKFICMC-CYBMUJFWSA-N 1 2 335.429 1.485 20 30 EDEDLO CC(C)(C)c1ccccc1NC(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000111182141 595713187 /nfs/dbraw/zinc/71/31/87/595713187.db2.gz PKCBZUJOJWZCQG-UHFFFAOYSA-N 1 2 348.447 1.544 20 30 EDEDLO Cc1[nH]c(CN=Nc2ccc(S(=O)(=O)N3CCCC3)cn2)[nH+]c1C ZINC000853288024 595728642 /nfs/dbraw/zinc/72/86/42/595728642.db2.gz BTYHNANVFNBLCL-UHFFFAOYSA-N 1 2 348.432 1.652 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC(O)(C(=O)OCC)CC1 ZINC000853360402 595742386 /nfs/dbraw/zinc/74/23/86/595742386.db2.gz DKGWNVSKTKIRAD-UHFFFAOYSA-N 1 2 332.400 1.768 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1NCC1(O)CCS(=O)(=O)CC1 ZINC000853371351 595745120 /nfs/dbraw/zinc/74/51/20/595745120.db2.gz UZBAMPDKUQCBLZ-UHFFFAOYSA-N 1 2 338.429 1.225 20 30 EDEDLO COc1ccc(C[NH2+]C(c2ccnn2C)c2ccnn2C)cc1C#N ZINC000858322468 595764537 /nfs/dbraw/zinc/76/45/37/595764537.db2.gz ZDRAHWKHCPHLOS-UHFFFAOYSA-N 1 2 336.399 1.913 20 30 EDEDLO C#CCNC(=O)C1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000858375043 595778990 /nfs/dbraw/zinc/77/89/90/595778990.db2.gz GELKUBHQABQNMN-UHFFFAOYSA-N 1 2 333.395 1.848 20 30 EDEDLO C=CC[N@H+](CN1C(=O)N[C@H](Cc2ccccc2)C1=O)[C@@H](C)COC ZINC000853532829 595788015 /nfs/dbraw/zinc/78/80/15/595788015.db2.gz NHHZTABCKORBOO-GOEBONIOSA-N 1 2 331.416 1.630 20 30 EDEDLO C=CC[N@@H+](CN1C(=O)N[C@H](Cc2ccccc2)C1=O)[C@@H](C)COC ZINC000853532829 595788017 /nfs/dbraw/zinc/78/80/17/595788017.db2.gz NHHZTABCKORBOO-GOEBONIOSA-N 1 2 331.416 1.630 20 30 EDEDLO C#CC[C@H](COC)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000861284199 595934779 /nfs/dbraw/zinc/93/47/79/595934779.db2.gz MBORGVXRZHISQO-CYBMUJFWSA-N 1 2 329.312 1.976 20 30 EDEDLO CC(C)(C)n1nnc(CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)n1 ZINC000851881238 595961782 /nfs/dbraw/zinc/96/17/82/595961782.db2.gz IFSCHUCCDNFYSQ-MRXNPFEDSA-N 1 2 340.431 1.916 20 30 EDEDLO CC(C)(C)n1nnc(CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)n1 ZINC000851881238 595961784 /nfs/dbraw/zinc/96/17/84/595961784.db2.gz IFSCHUCCDNFYSQ-MRXNPFEDSA-N 1 2 340.431 1.916 20 30 EDEDLO C=C[C@H](C)ONC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000854219421 596005744 /nfs/dbraw/zinc/00/57/44/596005744.db2.gz OYIZSPKQYCDGGF-DOTOQJQBSA-N 1 2 332.448 1.608 20 30 EDEDLO C=C[C@H](C)ONC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000854219421 596005748 /nfs/dbraw/zinc/00/57/48/596005748.db2.gz OYIZSPKQYCDGGF-DOTOQJQBSA-N 1 2 332.448 1.608 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@H](C)[C@H]1O ZINC000852502327 596184681 /nfs/dbraw/zinc/18/46/81/596184681.db2.gz CBQOJBYRLHGAFB-LAQFHYBYSA-N 1 2 326.400 1.369 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@H](C)[C@H]1O ZINC000852502327 596184684 /nfs/dbraw/zinc/18/46/84/596184684.db2.gz CBQOJBYRLHGAFB-LAQFHYBYSA-N 1 2 326.400 1.369 20 30 EDEDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000852696546 596229390 /nfs/dbraw/zinc/22/93/90/596229390.db2.gz NFMRSSSJSGPCAZ-BETUJISGSA-N 1 2 340.383 1.303 20 30 EDEDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000852696546 596229393 /nfs/dbraw/zinc/22/93/93/596229393.db2.gz NFMRSSSJSGPCAZ-BETUJISGSA-N 1 2 340.383 1.303 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000866598786 596265062 /nfs/dbraw/zinc/26/50/62/596265062.db2.gz QBUGMYVCRHKEAX-UHFFFAOYSA-N 1 2 343.430 1.294 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)c3coc(C#N)c3)c[nH+]2)CCO1 ZINC000864885213 596403770 /nfs/dbraw/zinc/40/37/70/596403770.db2.gz UJXZZGMYIGZYKM-LBPRGKRZSA-N 1 2 326.356 1.701 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)[C@@]3(C#N)CCCOC3)c[nH+]2)CCO1 ZINC000864884236 596403815 /nfs/dbraw/zinc/40/38/15/596403815.db2.gz LAOULNPCGBZSDO-KBXCAEBGSA-N 1 2 344.415 1.243 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000869100889 596408602 /nfs/dbraw/zinc/40/86/02/596408602.db2.gz LKLHAMVKVAMUFL-ZWKOTPCHSA-N 1 2 347.459 1.432 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000869100889 596408604 /nfs/dbraw/zinc/40/86/04/596408604.db2.gz LKLHAMVKVAMUFL-ZWKOTPCHSA-N 1 2 347.459 1.432 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CN2Cc3c(cccc3OC)C2=O)CC1 ZINC000863258425 596529249 /nfs/dbraw/zinc/52/92/49/596529249.db2.gz HFRWYMODTNRLMX-UHFFFAOYSA-N 1 2 341.411 1.070 20 30 EDEDLO C#C[C@H](CC)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000867772675 596542176 /nfs/dbraw/zinc/54/21/76/596542176.db2.gz SPXXBSKRUQGPPC-OAHLLOKOSA-N 1 2 333.407 1.711 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000867899600 596608214 /nfs/dbraw/zinc/60/82/14/596608214.db2.gz FLQCGKOMRHSNNF-UHFFFAOYSA-N 1 2 342.424 1.902 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865554337 596609880 /nfs/dbraw/zinc/60/98/80/596609880.db2.gz XUSNZOWBMCDCEA-QHCPKHFHSA-N 1 2 346.378 1.473 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCO1 ZINC000868368133 596807117 /nfs/dbraw/zinc/80/71/17/596807117.db2.gz BBHVVDJVBKARNM-KRWDZBQOSA-N 1 2 342.443 1.435 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCO1 ZINC000868368133 596807118 /nfs/dbraw/zinc/80/71/18/596807118.db2.gz BBHVVDJVBKARNM-KRWDZBQOSA-N 1 2 342.443 1.435 20 30 EDEDLO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1O ZINC000866253562 596838508 /nfs/dbraw/zinc/83/85/08/596838508.db2.gz KQUMBSIGQWZPLT-WMLDXEAASA-N 1 2 344.459 1.857 20 30 EDEDLO C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1O ZINC000866253562 596838509 /nfs/dbraw/zinc/83/85/09/596838509.db2.gz KQUMBSIGQWZPLT-WMLDXEAASA-N 1 2 344.459 1.857 20 30 EDEDLO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1[O-] ZINC000866253562 596838510 /nfs/dbraw/zinc/83/85/10/596838510.db2.gz KQUMBSIGQWZPLT-WMLDXEAASA-N 1 2 344.459 1.857 20 30 EDEDLO C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1[O-] ZINC000866253562 596838512 /nfs/dbraw/zinc/83/85/12/596838512.db2.gz KQUMBSIGQWZPLT-WMLDXEAASA-N 1 2 344.459 1.857 20 30 EDEDLO C=CCOCCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000875737588 596967228 /nfs/dbraw/zinc/96/72/28/596967228.db2.gz KCBRJYDUAVSQST-JKSUJKDBSA-N 1 2 346.431 1.139 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000874348027 597027173 /nfs/dbraw/zinc/02/71/73/597027173.db2.gz DGCONSBXVWEPDR-MRXNPFEDSA-N 1 2 344.415 1.032 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000874348027 597027174 /nfs/dbraw/zinc/02/71/74/597027174.db2.gz DGCONSBXVWEPDR-MRXNPFEDSA-N 1 2 344.415 1.032 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000875921755 597035441 /nfs/dbraw/zinc/03/54/41/597035441.db2.gz KUAUAWZTLTUJOS-NSHDSACASA-N 1 2 332.326 1.625 20 30 EDEDLO C#CCN(CC#CC)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000876038453 597069707 /nfs/dbraw/zinc/06/97/07/597069707.db2.gz KMDGVGFUDRZEGZ-UHFFFAOYSA-N 1 2 342.468 1.803 20 30 EDEDLO C=CC(C)(C)CCCNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000876320987 597168519 /nfs/dbraw/zinc/16/85/19/597168519.db2.gz VMNOBBYZTAHRPR-HNNXBMFYSA-N 1 2 327.469 1.313 20 30 EDEDLO Cn1c(Cl)ncc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000873817460 597403199 /nfs/dbraw/zinc/40/31/99/597403199.db2.gz XETKPEXYEJARNA-UHFFFAOYSA-N 1 2 343.818 1.903 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000875556074 597476617 /nfs/dbraw/zinc/47/66/17/597476617.db2.gz CEEJGCXZDYWFOO-OWCLPIDISA-N 1 2 330.432 1.901 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CC12COC2 ZINC000877557036 597535208 /nfs/dbraw/zinc/53/52/08/597535208.db2.gz DQHJGIQKVFQVLN-ZDUSSCGKSA-N 1 2 335.791 1.618 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CC12COC2 ZINC000877557036 597535210 /nfs/dbraw/zinc/53/52/10/597535210.db2.gz DQHJGIQKVFQVLN-ZDUSSCGKSA-N 1 2 335.791 1.618 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)n2c1 ZINC000877793228 597557833 /nfs/dbraw/zinc/55/78/33/597557833.db2.gz NEUVOYPOMFNDIV-KBPBESRZSA-N 1 2 330.413 1.072 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)C[C@H](O)c1ccccc1 ZINC000878159298 597582899 /nfs/dbraw/zinc/58/28/99/597582899.db2.gz HTYGEQNNNIAYIY-MOPGFXCFSA-N 1 2 347.459 1.019 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCO[C@]2(CCOC2)C1)c1ccccc1 ZINC000878441914 597602288 /nfs/dbraw/zinc/60/22/88/597602288.db2.gz WDKYMIQQTCQYAO-RTBURBONSA-N 1 2 328.412 1.918 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCO[C@]2(CCOC2)C1)c1ccccc1 ZINC000878441914 597602289 /nfs/dbraw/zinc/60/22/89/597602289.db2.gz WDKYMIQQTCQYAO-RTBURBONSA-N 1 2 328.412 1.918 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCN(CCO)C(C)(C)C1)c1ccccc1 ZINC000878477705 597608553 /nfs/dbraw/zinc/60/85/53/597608553.db2.gz QKJUXTTXIOVYRQ-HXUWFJFHSA-N 1 2 343.471 1.816 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCN(CCO)C(C)(C)C1)c1ccccc1 ZINC000878477705 597608556 /nfs/dbraw/zinc/60/85/56/597608556.db2.gz QKJUXTTXIOVYRQ-HXUWFJFHSA-N 1 2 343.471 1.816 20 30 EDEDLO CO[C@@H]1CC[C@@H](C)[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000879323037 597886576 /nfs/dbraw/zinc/88/65/76/597886576.db2.gz WQOHKVRCEZGKMG-ZIAGYGMSSA-N 1 2 326.400 1.919 20 30 EDEDLO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000879323037 597886578 /nfs/dbraw/zinc/88/65/78/597886578.db2.gz WQOHKVRCEZGKMG-ZIAGYGMSSA-N 1 2 326.400 1.919 20 30 EDEDLO C#CCC1(O)CCN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000883803751 597908251 /nfs/dbraw/zinc/90/82/51/597908251.db2.gz NOCOEMWLJRTNTC-QGZVFWFLSA-N 1 2 327.428 1.733 20 30 EDEDLO C#CCC1(O)CCN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000883803751 597908253 /nfs/dbraw/zinc/90/82/53/597908253.db2.gz NOCOEMWLJRTNTC-QGZVFWFLSA-N 1 2 327.428 1.733 20 30 EDEDLO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000880481872 597942471 /nfs/dbraw/zinc/94/24/71/597942471.db2.gz RBRYFJAIZQOIBK-CYBMUJFWSA-N 1 2 331.372 1.772 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC000880502837 597949964 /nfs/dbraw/zinc/94/99/64/597949964.db2.gz UYOSCPUVKFYIPB-FXAWDEMLSA-N 1 2 343.471 1.654 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC000880502837 597949965 /nfs/dbraw/zinc/94/99/65/597949965.db2.gz UYOSCPUVKFYIPB-FXAWDEMLSA-N 1 2 343.471 1.654 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1ccc2ccccc2c1 ZINC000884091353 597991895 /nfs/dbraw/zinc/99/18/95/597991895.db2.gz VEXFEDYXIOPLCB-KRWDZBQOSA-N 1 2 326.396 1.945 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000884117502 597999100 /nfs/dbraw/zinc/99/91/00/597999100.db2.gz COEJIFWDJIZOBZ-HNNXBMFYSA-N 1 2 329.400 1.582 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000884128978 598003506 /nfs/dbraw/zinc/00/35/06/598003506.db2.gz UEQQBFFGWBHACW-SJORKVTESA-N 1 2 330.428 1.914 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(Cl)c1N(C)C ZINC000884188782 598019943 /nfs/dbraw/zinc/01/99/43/598019943.db2.gz PCJAMDRGAIATEA-NSHDSACASA-N 1 2 325.796 1.791 20 30 EDEDLO Cc1cc(F)c(C#N)cc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000880986255 598046448 /nfs/dbraw/zinc/04/64/48/598046448.db2.gz LVEIPYCIKZRWAE-AWEZNQCLSA-N 1 2 332.379 1.944 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCc2cc(OC)ccc21 ZINC000884317312 598064264 /nfs/dbraw/zinc/06/42/64/598064264.db2.gz QXNSRMKTDYXYLC-PBHICJAKSA-N 1 2 346.427 1.678 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000884331841 598070252 /nfs/dbraw/zinc/07/02/52/598070252.db2.gz YOJUPEWLYKFGKW-UONOGXRCSA-N 1 2 336.363 1.602 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ccc(C)cc2C)CC1 ZINC000884419445 598100134 /nfs/dbraw/zinc/10/01/34/598100134.db2.gz QPVFWWQKOBMEAG-INIZCTEOSA-N 1 2 345.443 1.399 20 30 EDEDLO C#CCOc1ccc(C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)cc1 ZINC001031067102 695449997 /nfs/dbraw/zinc/44/99/97/695449997.db2.gz RMRBTLDKZAOBAL-GOSISDBHSA-N 1 2 328.412 1.682 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCCN2CCCC2=O)C1 ZINC001031078297 695479164 /nfs/dbraw/zinc/47/91/64/695479164.db2.gz GJMCTGKFEPFRHT-WMZOPIPTSA-N 1 2 349.475 1.171 20 30 EDEDLO C=CCOc1cccnc1C(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001031231699 695922007 /nfs/dbraw/zinc/92/20/07/695922007.db2.gz JBPNDMCMWVMXMA-DZGCQCFKSA-N 1 2 331.416 1.628 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H]1C ZINC000993598943 696251499 /nfs/dbraw/zinc/25/14/99/696251499.db2.gz FKWBQUQUGMWVDD-AAEUAGOBSA-N 1 2 348.838 1.699 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H]1C ZINC000993598943 696251501 /nfs/dbraw/zinc/25/15/01/696251501.db2.gz FKWBQUQUGMWVDD-AAEUAGOBSA-N 1 2 348.838 1.699 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnon2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000994043255 696504571 /nfs/dbraw/zinc/50/45/71/696504571.db2.gz PWIQEZCNVOWKQT-IAQYHMDHSA-N 1 2 343.362 1.863 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnon2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000994043255 696504573 /nfs/dbraw/zinc/50/45/73/696504573.db2.gz PWIQEZCNVOWKQT-IAQYHMDHSA-N 1 2 343.362 1.863 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@@H]1C ZINC000994217698 696587028 /nfs/dbraw/zinc/58/70/28/696587028.db2.gz XIAKQEOHFMXZST-WCQYABFASA-N 1 2 349.822 1.770 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@@H]1C ZINC000994217698 696587030 /nfs/dbraw/zinc/58/70/30/696587030.db2.gz XIAKQEOHFMXZST-WCQYABFASA-N 1 2 349.822 1.770 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(Cc2ccc(F)c(C#N)c2)C1 ZINC001031313792 696643787 /nfs/dbraw/zinc/64/37/87/696643787.db2.gz VWMIBDQPRSCPFU-UHFFFAOYSA-N 1 2 327.363 1.272 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2c(C)csc2=O)[C@H]1C ZINC000994399897 696822333 /nfs/dbraw/zinc/82/23/33/696822333.db2.gz KZSYRPBDXNEZHA-CHWSQXEVSA-N 1 2 343.880 1.940 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2c(C)csc2=O)[C@H]1C ZINC000994399897 696822336 /nfs/dbraw/zinc/82/23/36/696822336.db2.gz KZSYRPBDXNEZHA-CHWSQXEVSA-N 1 2 343.880 1.940 20 30 EDEDLO C=C1CCC(C(=O)N2CC(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC1 ZINC000994563644 697141329 /nfs/dbraw/zinc/14/13/29/697141329.db2.gz QZWVVZPAKRYIPW-OAHLLOKOSA-N 1 2 342.443 1.519 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1ccn[nH]1 ZINC001031557881 697246450 /nfs/dbraw/zinc/24/64/50/697246450.db2.gz KBCDQLIQLFCZQN-UHFFFAOYSA-N 1 2 328.803 1.776 20 30 EDEDLO Cn1cnc(C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)c1 ZINC001031614988 697328928 /nfs/dbraw/zinc/32/89/28/697328928.db2.gz AYVQVITYTGIQSO-UHFFFAOYSA-N 1 2 342.830 1.787 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3CCCCO3)C2)c1 ZINC001031618039 697334922 /nfs/dbraw/zinc/33/49/22/697334922.db2.gz XSDGSFWUEKKRTL-KRWDZBQOSA-N 1 2 331.391 1.814 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC001031711734 697721214 /nfs/dbraw/zinc/72/12/14/697721214.db2.gz RTJSEGFUQKIOJT-UHFFFAOYSA-N 1 2 348.450 1.933 20 30 EDEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1CCCCN(C(=O)[C@H](C)C#N)C1 ZINC000943340128 698159353 /nfs/dbraw/zinc/15/93/53/698159353.db2.gz RJMLWQHVTDCOJM-HIFRSBDPSA-N 1 2 344.415 1.290 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943703360 698743969 /nfs/dbraw/zinc/74/39/69/698743969.db2.gz XJWMTAGHSIIXTQ-GXFFZTMASA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943703360 698743971 /nfs/dbraw/zinc/74/39/71/698743971.db2.gz XJWMTAGHSIIXTQ-GXFFZTMASA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)c1nc[nH]n1 ZINC000943703360 698743975 /nfs/dbraw/zinc/74/39/75/698743975.db2.gz XJWMTAGHSIIXTQ-GXFFZTMASA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)c1nc[nH]n1 ZINC000943703360 698743978 /nfs/dbraw/zinc/74/39/78/698743978.db2.gz XJWMTAGHSIIXTQ-GXFFZTMASA-N 1 2 330.417 1.378 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3ccc(F)cc3)CC2)C1 ZINC000941475906 701551589 /nfs/dbraw/zinc/55/15/89/701551589.db2.gz BLSFIHNKROLFLJ-UHFFFAOYSA-N 1 2 343.446 1.610 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC001031754972 698985799 /nfs/dbraw/zinc/98/57/99/698985799.db2.gz WCGMLJVMBXBQBI-UHFFFAOYSA-N 1 2 348.450 1.933 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000938993456 699038760 /nfs/dbraw/zinc/03/87/60/699038760.db2.gz SQCYJMGIKHNHJO-QRTARXTBSA-N 1 2 346.431 1.041 20 30 EDEDLO C[C@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000939157222 699273160 /nfs/dbraw/zinc/27/31/60/699273160.db2.gz BSIADYXGCIDNMI-GUYCJALGSA-N 1 2 338.415 1.246 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3ccsc3)CC2)C1 ZINC000941565396 701584673 /nfs/dbraw/zinc/58/46/73/701584673.db2.gz YUBUZLUCIRGUNL-OAHLLOKOSA-N 1 2 331.485 1.703 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)c3ccccc3C)CC2)C1 ZINC000941592924 701586411 /nfs/dbraw/zinc/58/64/11/701586411.db2.gz LQTOCMWFNKBGTQ-SFHVURJKSA-N 1 2 339.483 1.950 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3C)CC2)C1 ZINC000941602930 701593328 /nfs/dbraw/zinc/59/33/28/701593328.db2.gz DWOGLUHKLNRYDA-VQTJNVASSA-N 1 2 337.467 1.560 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c[nH+]1 ZINC000939409008 699563493 /nfs/dbraw/zinc/56/34/93/699563493.db2.gz DCJZADSFSZUPPG-OCCSQVGLSA-N 1 2 331.420 1.146 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCO[C@@H](C(C)C)C3)CC2)C1 ZINC000941632727 701600812 /nfs/dbraw/zinc/60/08/12/701600812.db2.gz PSNPMYWYLISACG-PKOBYXMFSA-N 1 2 347.503 1.289 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4c(C)cccn4c3)CC2)C1 ZINC000941639837 701603251 /nfs/dbraw/zinc/60/32/51/701603251.db2.gz ZPNMTAUXGXCMPM-UHFFFAOYSA-N 1 2 336.439 1.323 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000939548204 699673813 /nfs/dbraw/zinc/67/38/13/699673813.db2.gz MGALGKTZXKRQQB-CQSZACIVSA-N 1 2 330.432 1.378 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)C1 ZINC000941657594 701607020 /nfs/dbraw/zinc/60/70/20/701607020.db2.gz CIRVIBPPLDERDF-KRWDZBQOSA-N 1 2 325.456 1.642 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)c(CC)s3)CC2)C1 ZINC000941660018 701607911 /nfs/dbraw/zinc/60/79/11/701607911.db2.gz BUDMCPPESBIHEH-UHFFFAOYSA-N 1 2 331.485 1.694 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3sccc3OC)CC2)C1 ZINC000941643694 701609473 /nfs/dbraw/zinc/60/94/73/701609473.db2.gz YGWBJFFRGHOXHD-UHFFFAOYSA-N 1 2 333.457 1.222 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)COc3cccc(C)c3)CC2)C1 ZINC000941664684 701618873 /nfs/dbraw/zinc/61/88/73/701618873.db2.gz ABOYIZYMIXJIFT-UHFFFAOYSA-N 1 2 341.455 1.226 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3cccs3)CC2)C1 ZINC000941665464 701619377 /nfs/dbraw/zinc/61/93/77/701619377.db2.gz ZSYXXLZHASMWSK-UHFFFAOYSA-N 1 2 331.485 1.532 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C)C1 ZINC000945430410 700275056 /nfs/dbraw/zinc/27/50/56/700275056.db2.gz PDFFLDZQSHYPMX-JKSUJKDBSA-N 1 2 344.459 1.983 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000945437722 700289152 /nfs/dbraw/zinc/28/91/52/700289152.db2.gz FVRAODPOYGFNEO-ZFWWWQNUSA-N 1 2 332.448 1.528 20 30 EDEDLO COc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)co1 ZINC001031879865 700490003 /nfs/dbraw/zinc/49/00/03/700490003.db2.gz BCRUIMRVHBISIV-UHFFFAOYSA-N 1 2 344.346 1.556 20 30 EDEDLO COc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001031881310 700496146 /nfs/dbraw/zinc/49/61/46/700496146.db2.gz YYGRSWXKIJVGON-UHFFFAOYSA-N 1 2 344.346 1.556 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cc(OC)ccn3)C2)cc1 ZINC001031892432 700686804 /nfs/dbraw/zinc/68/68/04/700686804.db2.gz CAASAMCXLMSTQD-UHFFFAOYSA-N 1 2 335.407 1.933 20 30 EDEDLO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)nn1 ZINC000940693547 700835913 /nfs/dbraw/zinc/83/59/13/700835913.db2.gz WWXRJBGRLFGDTG-OAHLLOKOSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)nn1 ZINC000940693547 700835916 /nfs/dbraw/zinc/83/59/16/700835916.db2.gz WWXRJBGRLFGDTG-OAHLLOKOSA-N 1 2 341.419 1.045 20 30 EDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CCN(CC#N)CC2(C)C)[nH]n1 ZINC000940765414 700886281 /nfs/dbraw/zinc/88/62/81/700886281.db2.gz RGMIWWHUDXBWEE-CVEARBPZSA-N 1 2 344.463 1.530 20 30 EDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CCN(CC#N)CC2(C)C)[nH]n1 ZINC000940765414 700886283 /nfs/dbraw/zinc/88/62/83/700886283.db2.gz RGMIWWHUDXBWEE-CVEARBPZSA-N 1 2 344.463 1.530 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(OC)cc3C)CC2)C1 ZINC000941423326 701534889 /nfs/dbraw/zinc/53/48/89/701534889.db2.gz XISDDKUZPBCCQQ-UHFFFAOYSA-N 1 2 341.455 1.008 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000941750226 701710961 /nfs/dbraw/zinc/71/09/61/701710961.db2.gz SJMWTODMECJYTG-QGZVFWFLSA-N 1 2 348.406 1.616 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000941800941 701791036 /nfs/dbraw/zinc/79/10/36/701791036.db2.gz IUNHFFCTSFXFGI-GOSISDBHSA-N 1 2 332.448 1.924 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cccc(OC)n3)C2)cn1 ZINC001032137194 701901644 /nfs/dbraw/zinc/90/16/44/701901644.db2.gz MBGUFJVQTLYBJU-UHFFFAOYSA-N 1 2 336.395 1.328 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)o1 ZINC000941928336 702154128 /nfs/dbraw/zinc/15/41/28/702154128.db2.gz DBENNCYXRGXZRS-ZWNOBZJWSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)o1 ZINC000941928336 702154130 /nfs/dbraw/zinc/15/41/30/702154130.db2.gz DBENNCYXRGXZRS-ZWNOBZJWSA-N 1 2 328.376 1.218 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 ZINC001032206952 702170055 /nfs/dbraw/zinc/17/00/55/702170055.db2.gz QERKDIVFFXVZHH-LBPRGKRZSA-N 1 2 339.789 1.814 20 30 EDEDLO Cc1nc(C)c(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)[nH]1 ZINC001031984831 702323710 /nfs/dbraw/zinc/32/37/10/702323710.db2.gz AUTMLVGUTGEJMI-UHFFFAOYSA-N 1 2 341.390 1.899 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@@H](C)C1 ZINC000942000128 702358501 /nfs/dbraw/zinc/35/85/01/702358501.db2.gz DPCXNDRZAMBEFR-GXSJLCMTSA-N 1 2 342.241 1.164 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)[C@@H](C)C1 ZINC000942000128 702358507 /nfs/dbraw/zinc/35/85/07/702358507.db2.gz DPCXNDRZAMBEFR-GXSJLCMTSA-N 1 2 342.241 1.164 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)C[C@H]2C)nc1 ZINC000944192314 702484481 /nfs/dbraw/zinc/48/44/81/702484481.db2.gz KBRYDYFKMAQNAM-DOMZBBRYSA-N 1 2 325.372 1.086 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)C[C@H]2C)nc1 ZINC000944192314 702484485 /nfs/dbraw/zinc/48/44/85/702484485.db2.gz KBRYDYFKMAQNAM-DOMZBBRYSA-N 1 2 325.372 1.086 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000942153308 702663480 /nfs/dbraw/zinc/66/34/80/702663480.db2.gz WBONJUQZDQCAKQ-CHWSQXEVSA-N 1 2 329.404 1.050 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)o3)C(C)(C)C2)cn1 ZINC000996537286 702863710 /nfs/dbraw/zinc/86/37/10/702863710.db2.gz WTJLKIMIWYLLCV-HNNXBMFYSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@H]2C)cc1 ZINC000942553704 703065831 /nfs/dbraw/zinc/06/58/31/703065831.db2.gz SLPCUWAZTLFPOT-RDTXWAMCSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)C[C@H]2C)cc1 ZINC000942553704 703065833 /nfs/dbraw/zinc/06/58/33/703065833.db2.gz SLPCUWAZTLFPOT-RDTXWAMCSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C)cn3)C[C@H]2C)c1 ZINC000942614326 703129239 /nfs/dbraw/zinc/12/92/39/703129239.db2.gz CYNNHWKQCIVLEJ-CRAIPNDOSA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C)cn3)C[C@H]2C)c1 ZINC000942614326 703129240 /nfs/dbraw/zinc/12/92/40/703129240.db2.gz CYNNHWKQCIVLEJ-CRAIPNDOSA-N 1 2 349.438 1.802 20 30 EDEDLO C[C@H]1CN(C(=O)CSCC#N)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000735289144 703160667 /nfs/dbraw/zinc/16/06/67/703160667.db2.gz HWWCSFNQHDFKRF-HOCLYGCPSA-N 1 2 333.457 1.509 20 30 EDEDLO C[C@H]1CN(C(=O)CSCC#N)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000735289144 703160668 /nfs/dbraw/zinc/16/06/68/703160668.db2.gz HWWCSFNQHDFKRF-HOCLYGCPSA-N 1 2 333.457 1.509 20 30 EDEDLO Cc1n[nH]c(C)c1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001032057819 703462055 /nfs/dbraw/zinc/46/20/55/703462055.db2.gz XFNGOERAFSCFPO-UHFFFAOYSA-N 1 2 329.429 1.822 20 30 EDEDLO C=C[C@@H](C(=O)N1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1)c1ccccc1 ZINC000997242382 703528271 /nfs/dbraw/zinc/52/82/71/703528271.db2.gz HCKWVLSXHAFZNK-MRXNPFEDSA-N 1 2 338.411 1.557 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000997309867 703567248 /nfs/dbraw/zinc/56/72/48/703567248.db2.gz VMKYWWFJUCWNKJ-WQVCFCJDSA-N 1 2 347.463 1.421 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C(C)(C)C1 ZINC000995568166 704018052 /nfs/dbraw/zinc/01/80/52/704018052.db2.gz WWBWIHYUEJFAJO-VXGBXAGGSA-N 1 2 333.436 1.853 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)c1 ZINC000999309870 706812586 /nfs/dbraw/zinc/81/25/86/706812586.db2.gz LMKAUSQWVNPEBB-UHFFFAOYSA-N 1 2 348.406 1.638 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2ccncn2)CC1 ZINC001004447520 704432051 /nfs/dbraw/zinc/43/20/51/704432051.db2.gz STZJSJTWWWVHMA-KRWDZBQOSA-N 1 2 327.432 1.636 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2ccncn2)CC1 ZINC001004447520 704432053 /nfs/dbraw/zinc/43/20/53/704432053.db2.gz STZJSJTWWWVHMA-KRWDZBQOSA-N 1 2 327.432 1.636 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@H](C)C1 ZINC000944919321 704770790 /nfs/dbraw/zinc/77/07/90/704770790.db2.gz NWTDAIIDQQGHLW-ZYHUDNBSSA-N 1 2 341.253 1.769 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)[C@H](C)C1 ZINC000944919321 704770793 /nfs/dbraw/zinc/77/07/93/704770793.db2.gz NWTDAIIDQQGHLW-ZYHUDNBSSA-N 1 2 341.253 1.769 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000997956638 705086914 /nfs/dbraw/zinc/08/69/14/705086914.db2.gz CXYUPICATOHODC-OAHLLOKOSA-N 1 2 342.403 1.786 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000997956638 705086918 /nfs/dbraw/zinc/08/69/18/705086918.db2.gz CXYUPICATOHODC-OAHLLOKOSA-N 1 2 342.403 1.786 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1C(=O)CCC1=O ZINC001032607189 705517196 /nfs/dbraw/zinc/51/71/96/705517196.db2.gz HKSHNNLIWCZWRK-DEYYWGMASA-N 1 2 333.432 1.023 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1C(=O)CCC1=O ZINC001032607189 705517197 /nfs/dbraw/zinc/51/71/97/705517197.db2.gz HKSHNNLIWCZWRK-DEYYWGMASA-N 1 2 333.432 1.023 20 30 EDEDLO N#CCN[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC000998263747 705633365 /nfs/dbraw/zinc/63/33/65/705633365.db2.gz XPXKTTYMIMHEEG-MNOVXSKESA-N 1 2 329.326 1.235 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnc3c2nnn3C)C1 ZINC001033361660 707646631 /nfs/dbraw/zinc/64/66/31/707646631.db2.gz HBHCPIQYGQJWPW-NSHDSACASA-N 1 2 334.811 1.262 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc3c2nnn3C)C1 ZINC001033361660 707646633 /nfs/dbraw/zinc/64/66/33/707646633.db2.gz HBHCPIQYGQJWPW-NSHDSACASA-N 1 2 334.811 1.262 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccns3)C2)c1 ZINC001033404253 707812724 /nfs/dbraw/zinc/81/27/24/707812724.db2.gz BLCFXVPZFAAHDC-OAHLLOKOSA-N 1 2 326.425 1.866 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccns3)C2)c1 ZINC001033404253 707812730 /nfs/dbraw/zinc/81/27/30/707812730.db2.gz BLCFXVPZFAAHDC-OAHLLOKOSA-N 1 2 326.425 1.866 20 30 EDEDLO C=CCCC(=O)N1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001060988910 708103495 /nfs/dbraw/zinc/10/34/95/708103495.db2.gz CEUDVQPSPDWGJW-UHFFFAOYSA-N 1 2 330.432 1.760 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CNc2cnc(C#N)cn2)C1 ZINC001061004682 708151272 /nfs/dbraw/zinc/15/12/72/708151272.db2.gz QMRULWOZTYROHF-QWHCGFSZSA-N 1 2 339.403 1.211 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CNc2cnc(C#N)cn2)C1 ZINC001061004682 708151274 /nfs/dbraw/zinc/15/12/74/708151274.db2.gz QMRULWOZTYROHF-QWHCGFSZSA-N 1 2 339.403 1.211 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CNc2ccc(C#N)nc2)C1 ZINC001061005081 708152895 /nfs/dbraw/zinc/15/28/95/708152895.db2.gz ZCDNSQYOWYJWRC-UONOGXRCSA-N 1 2 338.415 1.816 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CNc2ccc(C#N)nc2)C1 ZINC001061005081 708152897 /nfs/dbraw/zinc/15/28/97/708152897.db2.gz ZCDNSQYOWYJWRC-UONOGXRCSA-N 1 2 338.415 1.816 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001005186050 708163821 /nfs/dbraw/zinc/16/38/21/708163821.db2.gz WVIKDTCHHLCMOX-GFCCVEGCSA-N 1 2 344.253 1.096 20 30 EDEDLO C[C@@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001005219454 708246747 /nfs/dbraw/zinc/24/67/47/708246747.db2.gz VBBMZOVNYZBAQO-ZDUSSCGKSA-N 1 2 338.415 1.974 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001033636664 708388886 /nfs/dbraw/zinc/38/88/86/708388886.db2.gz FKXFJQCEKNGINZ-ZDUSSCGKSA-N 1 2 348.838 1.640 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nc3nc(C)cc(C)n3n2)C1 ZINC001033636664 708388891 /nfs/dbraw/zinc/38/88/91/708388891.db2.gz FKXFJQCEKNGINZ-ZDUSSCGKSA-N 1 2 348.838 1.640 20 30 EDEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](CNc2ccc(C#N)cn2)C1 ZINC001061035852 708430490 /nfs/dbraw/zinc/43/04/90/708430490.db2.gz NWWJZZXOBKVNBM-OAHLLOKOSA-N 1 2 338.415 1.580 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC001001930170 708436417 /nfs/dbraw/zinc/43/64/17/708436417.db2.gz DRMXRNAEIMLYKA-IRXDYDNUSA-N 1 2 347.463 1.125 20 30 EDEDLO CCn1cc(C[NH+]2CCC(N(C)C(=O)c3ccc(C#N)[nH]3)CC2)nn1 ZINC001005258688 708441174 /nfs/dbraw/zinc/44/11/74/708441174.db2.gz GBBBIZFSZCVNDZ-UHFFFAOYSA-N 1 2 341.419 1.234 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001033685092 708498925 /nfs/dbraw/zinc/49/89/25/708498925.db2.gz KHZIBCXIFVAEBK-ZDUSSCGKSA-N 1 2 343.880 1.812 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2c(C)c(C)sc2=O)C1 ZINC001033685092 708498928 /nfs/dbraw/zinc/49/89/28/708498928.db2.gz KHZIBCXIFVAEBK-ZDUSSCGKSA-N 1 2 343.880 1.812 20 30 EDEDLO C=CCC(C)(C)C(=O)N1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001061043466 708518563 /nfs/dbraw/zinc/51/85/63/708518563.db2.gz RJOGIJSYCNHFOS-UHFFFAOYSA-N 1 2 344.459 1.936 20 30 EDEDLO C=C(Br)CN1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033708027 708541049 /nfs/dbraw/zinc/54/10/49/708541049.db2.gz XPRLIJHTJTXASG-LBPRGKRZSA-N 1 2 327.226 1.324 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001033797760 708729000 /nfs/dbraw/zinc/72/90/00/708729000.db2.gz HFHSUDPCFVRWCU-RISCZKNCSA-N 1 2 342.403 1.875 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001033797760 708729002 /nfs/dbraw/zinc/72/90/02/708729002.db2.gz HFHSUDPCFVRWCU-RISCZKNCSA-N 1 2 342.403 1.875 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3n[nH]nc3n2)C1 ZINC001033846949 708894520 /nfs/dbraw/zinc/89/45/20/708894520.db2.gz GCXBRSHTTYPBLF-LLVKDONJSA-N 1 2 334.811 1.642 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3n[nH]nc3n2)C1 ZINC001033846949 708894523 /nfs/dbraw/zinc/89/45/23/708894523.db2.gz GCXBRSHTTYPBLF-LLVKDONJSA-N 1 2 334.811 1.642 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@H]2CCOC2)CC1 ZINC001002418812 708938391 /nfs/dbraw/zinc/93/83/91/708938391.db2.gz SYPYPAJYUHEHGF-AWEZNQCLSA-N 1 2 331.391 1.814 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)Cc2cc[nH]n2)CC1 ZINC001002497899 709034123 /nfs/dbraw/zinc/03/41/23/709034123.db2.gz AEUZCKVHYBEGHC-UHFFFAOYSA-N 1 2 341.390 1.744 20 30 EDEDLO CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)o1 ZINC001002619375 709177787 /nfs/dbraw/zinc/17/77/87/709177787.db2.gz HOCYAHQJHXNLJZ-LLVKDONJSA-N 1 2 342.403 1.787 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N(CC)C(=O)c3nccs3)C2)C1=O ZINC001033997525 709208356 /nfs/dbraw/zinc/20/83/56/709208356.db2.gz CNFILSIOXIVLAP-KGLIPLIRSA-N 1 2 348.472 1.466 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](N(CC)C(=O)c3nccs3)C2)C1=O ZINC001033997525 709208358 /nfs/dbraw/zinc/20/83/58/709208358.db2.gz CNFILSIOXIVLAP-KGLIPLIRSA-N 1 2 348.472 1.466 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)Cn2cccn2)C1 ZINC001034101318 709358109 /nfs/dbraw/zinc/35/81/09/709358109.db2.gz LAJLVDBNKOOIJX-ZDUSSCGKSA-N 1 2 341.253 1.762 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)Cn2cccn2)C1 ZINC001034101318 709358111 /nfs/dbraw/zinc/35/81/11/709358111.db2.gz LAJLVDBNKOOIJX-ZDUSSCGKSA-N 1 2 341.253 1.762 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002784234 709390540 /nfs/dbraw/zinc/39/05/40/709390540.db2.gz ZUPFKJKNQGXECG-HZPDHXFCSA-N 1 2 346.362 1.443 20 30 EDEDLO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001034237622 709617052 /nfs/dbraw/zinc/61/70/52/709617052.db2.gz ADQIEJVWENPIHS-CABCVRRESA-N 1 2 328.478 1.501 20 30 EDEDLO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC001034237622 709617054 /nfs/dbraw/zinc/61/70/54/709617054.db2.gz ADQIEJVWENPIHS-CABCVRRESA-N 1 2 328.478 1.501 20 30 EDEDLO Cc1ccc(C#N)c(N(C)[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001061217275 709753492 /nfs/dbraw/zinc/75/34/92/709753492.db2.gz HNXADPHRYZSVCC-INIZCTEOSA-N 1 2 338.415 1.586 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCCC[N@H+](Cc3nccs3)C2)nn1 ZINC001034433605 710003941 /nfs/dbraw/zinc/00/39/41/710003941.db2.gz YRAJMPVUOQESFD-ZDUSSCGKSA-N 1 2 346.460 1.705 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCCC[N@@H+](Cc3nccs3)C2)nn1 ZINC001034433605 710003947 /nfs/dbraw/zinc/00/39/47/710003947.db2.gz YRAJMPVUOQESFD-ZDUSSCGKSA-N 1 2 346.460 1.705 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CC[NH+]([C@H](C)c3nncn3C)CC2)c1 ZINC001003594632 710432179 /nfs/dbraw/zinc/43/21/79/710432179.db2.gz SMOOLKNWRMNGOS-CYBMUJFWSA-N 1 2 338.415 1.147 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CC[NH+]([C@H](C)c3nnc(C)o3)CC2)c1 ZINC001003598692 710435256 /nfs/dbraw/zinc/43/52/56/710435256.db2.gz MYYPTBSJQPSBPK-GFCCVEGCSA-N 1 2 339.399 1.710 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC001003842526 710678557 /nfs/dbraw/zinc/67/85/57/710678557.db2.gz NAAYRQULJDYTJM-UHFFFAOYSA-N 1 2 341.390 1.744 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N(C)C(=O)c3cncs3)C2)C1=O ZINC001032933967 710887381 /nfs/dbraw/zinc/88/73/81/710887381.db2.gz BBMOWEQUIIMKEW-OLZOCXBDSA-N 1 2 334.445 1.076 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](N(C)C(=O)c3cncs3)C2)C1=O ZINC001032933967 710887383 /nfs/dbraw/zinc/88/73/83/710887383.db2.gz BBMOWEQUIIMKEW-OLZOCXBDSA-N 1 2 334.445 1.076 20 30 EDEDLO CN(C(=O)c1ccnn1C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032945927 710925730 /nfs/dbraw/zinc/92/57/30/710925730.db2.gz RGDMCGJDTBEYHG-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1ccnn1C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032945927 710925735 /nfs/dbraw/zinc/92/57/35/710925735.db2.gz RGDMCGJDTBEYHG-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2cc[nH]c(=O)c2)C1 ZINC001032997840 711164842 /nfs/dbraw/zinc/16/48/42/711164842.db2.gz QJPOCTFULBKKAD-LBPRGKRZSA-N 1 2 340.221 1.842 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc[nH]c(=O)c2)C1 ZINC001032997840 711164844 /nfs/dbraw/zinc/16/48/44/711164844.db2.gz QJPOCTFULBKKAD-LBPRGKRZSA-N 1 2 340.221 1.842 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3nncn3C)CC2)cn1 ZINC001004003317 711242928 /nfs/dbraw/zinc/24/29/28/711242928.db2.gz ZLJDTVHYPVPBHY-CYBMUJFWSA-N 1 2 338.415 1.147 20 30 EDEDLO N#Cc1cccnc1N1CCC[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001061409543 711579178 /nfs/dbraw/zinc/57/91/78/711579178.db2.gz YJUGXTMWQFHYMZ-OAHLLOKOSA-N 1 2 346.394 2.000 20 30 EDEDLO N#CCN1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004470209 711846653 /nfs/dbraw/zinc/84/66/53/711846653.db2.gz SHEKVUKGGKGVEG-FUHWJXTLSA-N 1 2 341.459 1.672 20 30 EDEDLO COc1cncc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004569724 711991335 /nfs/dbraw/zinc/99/13/35/711991335.db2.gz QVHUJRIIHFEUMW-OAHLLOKOSA-N 1 2 329.404 1.325 20 30 EDEDLO COc1cncc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004569724 711991338 /nfs/dbraw/zinc/99/13/38/711991338.db2.gz QVHUJRIIHFEUMW-OAHLLOKOSA-N 1 2 329.404 1.325 20 30 EDEDLO CC(=O)N1CC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004599399 712043683 /nfs/dbraw/zinc/04/36/83/712043683.db2.gz HBKMHQUWUZXHPP-SJORKVTESA-N 1 2 332.448 1.081 20 30 EDEDLO CC(=O)N1CC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004599399 712043684 /nfs/dbraw/zinc/04/36/84/712043684.db2.gz HBKMHQUWUZXHPP-SJORKVTESA-N 1 2 332.448 1.081 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1C#N ZINC000174842298 231322337 /nfs/dbraw/zinc/32/23/37/231322337.db2.gz FWTXZPSWWCORNH-UONOGXRCSA-N 1 2 344.415 1.031 20 30 EDEDLO Cn1cnnc1C1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000328841315 539371586 /nfs/dbraw/zinc/37/15/86/539371586.db2.gz OQZHTSVOUAZJJD-UHFFFAOYSA-N 1 2 343.435 1.642 20 30 EDEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000329704261 539458639 /nfs/dbraw/zinc/45/86/39/539458639.db2.gz ISEAIAGHRDWDSJ-RVSPLBMKSA-N 1 2 347.415 1.448 20 30 EDEDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000329704261 539458644 /nfs/dbraw/zinc/45/86/44/539458644.db2.gz ISEAIAGHRDWDSJ-RVSPLBMKSA-N 1 2 347.415 1.448 20 30 EDEDLO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000329713103 539459060 /nfs/dbraw/zinc/45/90/60/539459060.db2.gz RBDJGJGRTCLKPL-OAHLLOKOSA-N 1 2 327.388 1.650 20 30 EDEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(=O)n3nccc3[nH]2)CC1 ZINC000066497516 138178809 /nfs/dbraw/zinc/17/88/09/138178809.db2.gz KMRGDWMNIGJRAL-UHFFFAOYSA-N 1 2 334.383 1.216 20 30 EDEDLO N#Cc1ccc(NC[C@H](O)C[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000269264449 283179255 /nfs/dbraw/zinc/17/92/55/283179255.db2.gz BGFBOFILPNWNIA-LBPRGKRZSA-N 1 2 329.322 1.682 20 30 EDEDLO COCCO[C@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000189736370 237199579 /nfs/dbraw/zinc/19/95/79/237199579.db2.gz ABBVGASZTTXBSK-UONOGXRCSA-N 1 2 335.429 1.462 20 30 EDEDLO COCCO[C@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000189736370 237199592 /nfs/dbraw/zinc/19/95/92/237199592.db2.gz ABBVGASZTTXBSK-UONOGXRCSA-N 1 2 335.429 1.462 20 30 EDEDLO N#CC1(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000133716981 237242955 /nfs/dbraw/zinc/24/29/55/237242955.db2.gz GAJXCHBMPWORGX-MRXNPFEDSA-N 1 2 329.400 1.076 20 30 EDEDLO N#CC1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000133716981 237242963 /nfs/dbraw/zinc/24/29/63/237242963.db2.gz GAJXCHBMPWORGX-MRXNPFEDSA-N 1 2 329.400 1.076 20 30 EDEDLO N#Cc1cccc(CCNc2nc(NCCO)c3ccccc3[nH+]2)c1 ZINC000565296208 306380923 /nfs/dbraw/zinc/38/09/23/306380923.db2.gz ALGIQQSIVVJSEY-UHFFFAOYSA-N 1 2 333.395 1.404 20 30 EDEDLO N#Cc1ccsc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000072767852 216303347 /nfs/dbraw/zinc/30/33/47/216303347.db2.gz USANCICTKIOSMA-CQSZACIVSA-N 1 2 334.445 1.355 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000072767852 216303350 /nfs/dbraw/zinc/30/33/50/216303350.db2.gz USANCICTKIOSMA-CQSZACIVSA-N 1 2 334.445 1.355 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000072767852 216303354 /nfs/dbraw/zinc/30/33/54/216303354.db2.gz USANCICTKIOSMA-CQSZACIVSA-N 1 2 334.445 1.355 20 30 EDEDLO CCC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)COC1 ZINC000567216909 306442348 /nfs/dbraw/zinc/44/23/48/306442348.db2.gz WVODJJCYICAETG-UHFFFAOYSA-N 1 2 342.443 1.812 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](n3cncn3)C2)C1=O ZINC000246483447 139110363 /nfs/dbraw/zinc/11/03/63/139110363.db2.gz OVSIZQGZYAZYSQ-ZIAGYGMSSA-N 1 2 342.428 1.654 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](n3cncn3)C2)C1=O ZINC000246483447 139110364 /nfs/dbraw/zinc/11/03/64/139110364.db2.gz OVSIZQGZYAZYSQ-ZIAGYGMSSA-N 1 2 342.428 1.654 20 30 EDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000266922812 249352500 /nfs/dbraw/zinc/35/25/00/249352500.db2.gz MPEVIVTVFDJOOX-UHFFFAOYSA-N 1 2 326.404 1.481 20 30 EDEDLO C#CC[N@H+](CC)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000266922812 249352501 /nfs/dbraw/zinc/35/25/01/249352501.db2.gz MPEVIVTVFDJOOX-UHFFFAOYSA-N 1 2 326.404 1.481 20 30 EDEDLO C[C@@H](C(=O)N1CC(C)(C#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000280615997 249504415 /nfs/dbraw/zinc/50/44/15/249504415.db2.gz ZVRAZBZCMRLKNG-AWEZNQCLSA-N 1 2 330.407 1.708 20 30 EDEDLO COCC1(C#N)CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000343145367 250011170 /nfs/dbraw/zinc/01/11/70/250011170.db2.gz BWDHYXJGGVSZQB-OAHLLOKOSA-N 1 2 345.447 1.584 20 30 EDEDLO COCC1(C#N)CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000343145367 250011176 /nfs/dbraw/zinc/01/11/76/250011176.db2.gz BWDHYXJGGVSZQB-OAHLLOKOSA-N 1 2 345.447 1.584 20 30 EDEDLO CC[N@@H+](CC(=O)N1CCN(c2ccccc2F)CC1)C[C@H](C)C#N ZINC000345523029 250030915 /nfs/dbraw/zinc/03/09/15/250030915.db2.gz LVKJCAFLOKCOBK-OAHLLOKOSA-N 1 2 332.423 1.956 20 30 EDEDLO CC[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)C[C@H](C)C#N ZINC000345523029 250030920 /nfs/dbraw/zinc/03/09/20/250030920.db2.gz LVKJCAFLOKCOBK-OAHLLOKOSA-N 1 2 332.423 1.956 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000347039944 250052063 /nfs/dbraw/zinc/05/20/63/250052063.db2.gz LYGZIWAXPLQVIF-CYBMUJFWSA-N 1 2 344.440 1.590 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000352165504 250073440 /nfs/dbraw/zinc/07/34/40/250073440.db2.gz GKZSOSCBZOOPQV-QGZVFWFLSA-N 1 2 344.459 1.994 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000352165504 250073443 /nfs/dbraw/zinc/07/34/43/250073443.db2.gz GKZSOSCBZOOPQV-QGZVFWFLSA-N 1 2 344.459 1.994 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000353728262 250083315 /nfs/dbraw/zinc/08/33/15/250083315.db2.gz NOLMAVWCAGUCDQ-CQSZACIVSA-N 1 2 342.447 1.995 20 30 EDEDLO CC[C@H](CC#N)[NH2+]Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000358301524 250130899 /nfs/dbraw/zinc/13/08/99/250130899.db2.gz QBSKKECDXCPYLA-OAHLLOKOSA-N 1 2 337.445 1.489 20 30 EDEDLO C=C[C@@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000362370491 250181010 /nfs/dbraw/zinc/18/10/10/250181010.db2.gz LLSRLKNKLQQOQQ-OAHLLOKOSA-N 1 2 336.480 1.585 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000368821858 250201343 /nfs/dbraw/zinc/20/13/43/250201343.db2.gz JJVUXLSSDQMCEU-CVEARBPZSA-N 1 2 334.464 1.471 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000368821858 250201347 /nfs/dbraw/zinc/20/13/47/250201347.db2.gz JJVUXLSSDQMCEU-CVEARBPZSA-N 1 2 334.464 1.471 20 30 EDEDLO C=CCCS(=O)(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000373680865 250242795 /nfs/dbraw/zinc/24/27/95/250242795.db2.gz LFVRZLXEIWEMMW-AWEZNQCLSA-N 1 2 342.465 1.570 20 30 EDEDLO C=CCCS(=O)(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000373680865 250242801 /nfs/dbraw/zinc/24/28/01/250242801.db2.gz LFVRZLXEIWEMMW-AWEZNQCLSA-N 1 2 342.465 1.570 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(c2cncc(F)c2)CC1)C1CC1 ZINC000374442906 250265470 /nfs/dbraw/zinc/26/54/70/250265470.db2.gz IIVQDAXPNMYQKO-SFHVURJKSA-N 1 2 345.422 1.541 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(c2cncc(F)c2)CC1)C1CC1 ZINC000374442906 250265473 /nfs/dbraw/zinc/26/54/73/250265473.db2.gz IIVQDAXPNMYQKO-SFHVURJKSA-N 1 2 345.422 1.541 20 30 EDEDLO C=CCCC(=O)N1CC[NH+]([C@@H]2CCCN(C3CCOCC3)C2=O)CC1 ZINC000374805173 250272096 /nfs/dbraw/zinc/27/20/96/250272096.db2.gz HGHQPNGWRARCAM-QGZVFWFLSA-N 1 2 349.475 1.267 20 30 EDEDLO C[C@@H](O)c1cn(C2C[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)nn1 ZINC000374805180 250272903 /nfs/dbraw/zinc/27/29/03/250272903.db2.gz HGRXZTZHFJXXQS-QWHCGFSZSA-N 1 2 327.388 1.679 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C#Cc1ccc3c(c1)OCO3)CCC2 ZINC000378240943 250298437 /nfs/dbraw/zinc/29/84/37/250298437.db2.gz CJBHOXRDHJJITI-HNNXBMFYSA-N 1 2 337.379 1.966 20 30 EDEDLO C#CCN(C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC000377279342 250288159 /nfs/dbraw/zinc/28/81/59/250288159.db2.gz YYYSBVFZQMNROW-RHSMWYFYSA-N 1 2 343.431 1.327 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410816124 250379912 /nfs/dbraw/zinc/37/99/12/250379912.db2.gz UVUSKWLMCCOFEK-OAHLLOKOSA-N 1 2 344.459 1.960 20 30 EDEDLO C[C@@H](C(=O)OC(C)(C)C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000413282806 250708739 /nfs/dbraw/zinc/70/87/39/250708739.db2.gz QQKAWBYGKDQEEV-CQSZACIVSA-N 1 2 339.436 1.039 20 30 EDEDLO C[C@@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000454640659 254811099 /nfs/dbraw/zinc/81/10/99/254811099.db2.gz IRAOAQWYJFBIBY-HNNXBMFYSA-N 1 2 329.444 1.964 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 ZINC000491066944 255117464 /nfs/dbraw/zinc/11/74/64/255117464.db2.gz FOPKRBZIBSWGJT-GFCCVEGCSA-N 1 2 348.472 1.548 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2ccc(OC)c(Cl)c2)CC1 ZINC000491072138 255118480 /nfs/dbraw/zinc/11/84/80/255118480.db2.gz PYVHUUUDIDIBOM-UHFFFAOYSA-N 1 2 335.835 1.216 20 30 EDEDLO C#CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000490669429 255098026 /nfs/dbraw/zinc/09/80/26/255098026.db2.gz HKRMDOPIMNTRTP-HNNXBMFYSA-N 1 2 328.478 1.147 20 30 EDEDLO C#CCN(C(=O)C[N@H+](C)CCCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000490669429 255098028 /nfs/dbraw/zinc/09/80/28/255098028.db2.gz HKRMDOPIMNTRTP-HNNXBMFYSA-N 1 2 328.478 1.147 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC000491665561 255137484 /nfs/dbraw/zinc/13/74/84/255137484.db2.gz SGEGPCFPJDNBAH-IAGOWNOFSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC000491665561 255137487 /nfs/dbraw/zinc/13/74/87/255137487.db2.gz SGEGPCFPJDNBAH-IAGOWNOFSA-N 1 2 333.476 1.487 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O ZINC000491731532 255146290 /nfs/dbraw/zinc/14/62/90/255146290.db2.gz IPPFESDVPWFGGG-IAQYHMDHSA-N 1 2 339.317 1.907 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O ZINC000491731532 255146292 /nfs/dbraw/zinc/14/62/92/255146292.db2.gz IPPFESDVPWFGGG-IAQYHMDHSA-N 1 2 339.317 1.907 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(C)(C)C ZINC000491812762 255148946 /nfs/dbraw/zinc/14/89/46/255148946.db2.gz GCUYKZSUVIXZMQ-PBHICJAKSA-N 1 2 339.505 1.541 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN(CC)C(=O)[C@H]1C ZINC000495206684 255273026 /nfs/dbraw/zinc/27/30/26/255273026.db2.gz WYNFMCMAURPTAR-WBVHZDCISA-N 1 2 332.444 1.707 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN(CC)C(=O)[C@H]1C ZINC000495206684 255273027 /nfs/dbraw/zinc/27/30/27/255273027.db2.gz WYNFMCMAURPTAR-WBVHZDCISA-N 1 2 332.444 1.707 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1cccc(C#N)n1 ZINC000496379493 255389420 /nfs/dbraw/zinc/38/94/20/255389420.db2.gz PEWXCBPCRYSPKY-AWEZNQCLSA-N 1 2 331.420 1.916 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1cccc(C#N)n1 ZINC000496379493 255389421 /nfs/dbraw/zinc/38/94/21/255389421.db2.gz PEWXCBPCRYSPKY-AWEZNQCLSA-N 1 2 331.420 1.916 20 30 EDEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000117077189 221031111 /nfs/dbraw/zinc/03/11/11/221031111.db2.gz GUCGVQXHFKGXGN-OAHLLOKOSA-N 1 2 344.459 1.453 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)ccc1F ZINC000264047134 139377656 /nfs/dbraw/zinc/37/76/56/139377656.db2.gz RPCZJVZYMDYSAB-UHFFFAOYSA-N 1 2 341.346 1.485 20 30 EDEDLO N#CCCn1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000118894065 221202787 /nfs/dbraw/zinc/20/27/87/221202787.db2.gz RHGYRACJFUBBTJ-UHFFFAOYSA-N 1 2 325.376 1.546 20 30 EDEDLO COCC1(O)CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000270414237 140095802 /nfs/dbraw/zinc/09/58/02/140095802.db2.gz YHJAVHJTQOUHTL-UHFFFAOYSA-N 1 2 337.445 1.648 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000332288750 141156634 /nfs/dbraw/zinc/15/66/34/141156634.db2.gz MRXMEZJSJXSKRV-HNNXBMFYSA-N 1 2 344.434 1.826 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000347088715 143281286 /nfs/dbraw/zinc/28/12/86/143281286.db2.gz OHDNDQYEWBPLNL-UHFFFAOYSA-N 1 2 338.411 1.454 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+](CCCO)Cc2ccccn2)c1 ZINC000347088715 143281287 /nfs/dbraw/zinc/28/12/87/143281287.db2.gz OHDNDQYEWBPLNL-UHFFFAOYSA-N 1 2 338.411 1.454 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c(OC(F)F)c1 ZINC000347545129 143333539 /nfs/dbraw/zinc/33/35/39/143333539.db2.gz KTMMDABZNBWOKS-LBPRGKRZSA-N 1 2 345.371 1.413 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c(OC(F)F)c1 ZINC000347545129 143333540 /nfs/dbraw/zinc/33/35/40/143333540.db2.gz KTMMDABZNBWOKS-LBPRGKRZSA-N 1 2 345.371 1.413 20 30 EDEDLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355107373 150119687 /nfs/dbraw/zinc/11/96/87/150119687.db2.gz YNXPCQVHVNFJJR-OAHLLOKOSA-N 1 2 341.459 1.913 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N2CCn3cc[nH+]c3C2)cc1Cl ZINC000358168822 151294992 /nfs/dbraw/zinc/29/49/92/151294992.db2.gz GIXVMFGEAKHDMU-UHFFFAOYSA-N 1 2 329.747 1.389 20 30 EDEDLO C[C@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)c1cccc(C#N)c1 ZINC000360169989 151936711 /nfs/dbraw/zinc/93/67/11/151936711.db2.gz LONOAVBUWQHPFR-HNNXBMFYSA-N 1 2 337.427 1.740 20 30 EDEDLO CC(C)c1nnc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)n1C ZINC000360938894 152258151 /nfs/dbraw/zinc/25/81/51/152258151.db2.gz ANXDWPDUIYEDSR-UHFFFAOYSA-N 1 2 339.447 1.917 20 30 EDEDLO CC(C)c1nnc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)n1C ZINC000360938894 152258153 /nfs/dbraw/zinc/25/81/53/152258153.db2.gz ANXDWPDUIYEDSR-UHFFFAOYSA-N 1 2 339.447 1.917 20 30 EDEDLO COC(=O)c1cn(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)nn1 ZINC000362288439 152670161 /nfs/dbraw/zinc/67/01/61/152670161.db2.gz XPFFZLBPOPJKDW-UHFFFAOYSA-N 1 2 343.362 1.913 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(S(=O)(=O)c1ccc(F)cc1C#N)C2 ZINC000366651924 153879652 /nfs/dbraw/zinc/87/96/52/153879652.db2.gz IQZHMSLCUILQCY-UHFFFAOYSA-N 1 2 334.376 1.715 20 30 EDEDLO COc1cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)ccc1C#N ZINC000374209561 157194468 /nfs/dbraw/zinc/19/44/68/157194468.db2.gz IIFOIRREAQMLRE-HNNXBMFYSA-N 1 2 335.429 1.223 20 30 EDEDLO COc1cc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)ccc1C#N ZINC000374209561 157194473 /nfs/dbraw/zinc/19/44/73/157194473.db2.gz IIFOIRREAQMLRE-HNNXBMFYSA-N 1 2 335.429 1.223 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cc(C#N)cn3C)c[nH+]2)CCO1 ZINC000081014918 287309985 /nfs/dbraw/zinc/30/99/85/287309985.db2.gz JDKIFGVELWRZAZ-ZDUSSCGKSA-N 1 2 339.399 1.447 20 30 EDEDLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1CCOC ZINC000287723672 266070094 /nfs/dbraw/zinc/07/00/94/266070094.db2.gz GWWVYWVFJAWDMF-CYBMUJFWSA-N 1 2 341.433 1.273 20 30 EDEDLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1CCOC ZINC000287723672 266070097 /nfs/dbraw/zinc/07/00/97/266070097.db2.gz GWWVYWVFJAWDMF-CYBMUJFWSA-N 1 2 341.433 1.273 20 30 EDEDLO CC[N@H+](Cc1cn(CC(=O)OC)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000294654184 266138691 /nfs/dbraw/zinc/13/86/91/266138691.db2.gz BPWCKXADZSHHON-ZDUSSCGKSA-N 1 2 327.388 1.906 20 30 EDEDLO CC[N@@H+](Cc1cn(CC(=O)OC)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000294654184 266138692 /nfs/dbraw/zinc/13/86/92/266138692.db2.gz BPWCKXADZSHHON-ZDUSSCGKSA-N 1 2 327.388 1.906 20 30 EDEDLO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCS1 ZINC000288572334 267022221 /nfs/dbraw/zinc/02/22/21/267022221.db2.gz AUSRFQVVBFNXAI-GFCCVEGCSA-N 1 2 325.459 1.554 20 30 EDEDLO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCS1 ZINC000288572334 267022224 /nfs/dbraw/zinc/02/22/24/267022224.db2.gz AUSRFQVVBFNXAI-GFCCVEGCSA-N 1 2 325.459 1.554 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425203336 267055445 /nfs/dbraw/zinc/05/54/45/267055445.db2.gz FEWQOECOMOXPNT-UHFFFAOYSA-N 1 2 345.403 1.457 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 ZINC000280636523 267059234 /nfs/dbraw/zinc/05/92/34/267059234.db2.gz XUWCNELEAUGAMT-BJZITVGISA-N 1 2 341.411 1.543 20 30 EDEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 ZINC000280636523 267059237 /nfs/dbraw/zinc/05/92/37/267059237.db2.gz XUWCNELEAUGAMT-BJZITVGISA-N 1 2 341.411 1.543 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000290205833 267111414 /nfs/dbraw/zinc/11/14/14/267111414.db2.gz NHSKQEGJKKSIBB-RHSMWYFYSA-N 1 2 349.456 1.183 20 30 EDEDLO CC[C@H](C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1)OC ZINC000419195960 267210977 /nfs/dbraw/zinc/21/09/77/267210977.db2.gz YZYRNBOKIXROPM-OAHLLOKOSA-N 1 2 337.445 1.290 20 30 EDEDLO Cc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c(C#N)cc1N(C)C ZINC000331239330 267333801 /nfs/dbraw/zinc/33/38/01/267333801.db2.gz KAHLMTJANMCIJJ-AWEZNQCLSA-N 1 2 331.420 1.589 20 30 EDEDLO Cc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c(C#N)cc1N(C)C ZINC000331239330 267333803 /nfs/dbraw/zinc/33/38/03/267333803.db2.gz KAHLMTJANMCIJJ-AWEZNQCLSA-N 1 2 331.420 1.589 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)cc1F ZINC000489581956 268252222 /nfs/dbraw/zinc/25/22/22/268252222.db2.gz APZFHCIIIVMJBY-UHFFFAOYSA-N 1 2 332.316 1.240 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc4c(c3)NC(=O)CO4)CC2)c1 ZINC000294832161 268294022 /nfs/dbraw/zinc/29/40/22/268294022.db2.gz HEPKTSFSAZNTOK-UHFFFAOYSA-N 1 2 349.394 1.606 20 30 EDEDLO C[C@H](O)C[NH+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279695420 268868399 /nfs/dbraw/zinc/86/83/99/268868399.db2.gz IVDUAKXCHFXIBQ-ZDUSSCGKSA-N 1 2 340.383 1.352 20 30 EDEDLO CC(C)(C)OC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274107379 273069729 /nfs/dbraw/zinc/06/97/29/273069729.db2.gz VBWYPRMQVUJULP-UHFFFAOYSA-N 1 2 329.400 1.544 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(N3CCCC3=O)CC2)cc1 ZINC000115542238 294942377 /nfs/dbraw/zinc/94/23/77/294942377.db2.gz VMHSVUAUDCAHEP-KRWDZBQOSA-N 1 2 326.400 1.171 20 30 EDEDLO Cc1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C)c[nH+]1 ZINC000551905479 306167406 /nfs/dbraw/zinc/16/74/06/306167406.db2.gz UAPAXQWFOAUQCY-UHFFFAOYSA-N 1 2 336.399 1.741 20 30 EDEDLO N#CCOc1ccc(/C=C/C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000493717086 447374660 /nfs/dbraw/zinc/37/46/60/447374660.db2.gz CRYFZPYZCNBDBK-ZRFDWSJLSA-N 1 2 335.354 1.963 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000377852725 447378885 /nfs/dbraw/zinc/37/88/85/447378885.db2.gz SVWRKRQIRWVCLM-LSDHHAIUSA-N 1 2 343.493 1.489 20 30 EDEDLO C=CCC[C@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000458472158 447379843 /nfs/dbraw/zinc/37/98/43/447379843.db2.gz HOVVQFOJQDFIEB-KGLIPLIRSA-N 1 2 348.451 1.113 20 30 EDEDLO C=CCC[C@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000458472158 447379849 /nfs/dbraw/zinc/37/98/49/447379849.db2.gz HOVVQFOJQDFIEB-KGLIPLIRSA-N 1 2 348.451 1.113 20 30 EDEDLO CN1C(=O)c2ccc(NC(=O)C[NH+]3CCC(C#N)CC3)cc2C1=O ZINC000057906979 441142321 /nfs/dbraw/zinc/14/23/21/441142321.db2.gz UKEZUERIKCOYSN-UHFFFAOYSA-N 1 2 326.356 1.086 20 30 EDEDLO Cc1cccc(N2CC[NH+](CCC(=O)N=C3NCCS3)CC2)c1 ZINC000072824942 441263340 /nfs/dbraw/zinc/26/33/40/441263340.db2.gz NNQRJLZHCOQQRW-UHFFFAOYSA-N 1 2 332.473 1.726 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000073369091 441312569 /nfs/dbraw/zinc/31/25/69/441312569.db2.gz TVRNPDDLLVMFDF-CYBMUJFWSA-N 1 2 330.407 1.482 20 30 EDEDLO CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083169519 441352616 /nfs/dbraw/zinc/35/26/16/441352616.db2.gz ROZPISYIEBTKQN-DZGCQCFKSA-N 1 2 346.456 1.573 20 30 EDEDLO CC(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083169519 441352621 /nfs/dbraw/zinc/35/26/21/441352621.db2.gz ROZPISYIEBTKQN-DZGCQCFKSA-N 1 2 346.456 1.573 20 30 EDEDLO N#CCc1cccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000049624920 441360593 /nfs/dbraw/zinc/36/05/93/441360593.db2.gz WNJYTBJEWPRTDK-UHFFFAOYSA-N 1 2 336.395 1.914 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000051184523 441402876 /nfs/dbraw/zinc/40/28/76/441402876.db2.gz SKCKVTAKXZESIF-OAHLLOKOSA-N 1 2 330.432 1.522 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3cccc(F)c32)CC1 ZINC000054045004 441556024 /nfs/dbraw/zinc/55/60/24/441556024.db2.gz KQRIOUSCPDNEKO-UHFFFAOYSA-N 1 2 329.379 1.193 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000032830871 441575121 /nfs/dbraw/zinc/57/51/21/441575121.db2.gz UCCVBRRFROCWRO-BEFAXECRSA-N 1 2 344.459 1.957 20 30 EDEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)NCC(F)(F)F ZINC000158190834 441703203 /nfs/dbraw/zinc/70/32/03/441703203.db2.gz UHVYVAHDTQJLGX-QMMMGPOBSA-N 1 2 331.294 1.325 20 30 EDEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cnccc3C#N)CC2)n1 ZINC000091734136 441733588 /nfs/dbraw/zinc/73/35/88/441733588.db2.gz CQACYMNRTQQZIZ-CYBMUJFWSA-N 1 2 342.403 1.756 20 30 EDEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cnccc3C#N)CC2)n1 ZINC000091734136 441733593 /nfs/dbraw/zinc/73/35/93/441733593.db2.gz CQACYMNRTQQZIZ-CYBMUJFWSA-N 1 2 342.403 1.756 20 30 EDEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000077247325 441741226 /nfs/dbraw/zinc/74/12/26/441741226.db2.gz ZLPBEZDHVKSIEY-UHFFFAOYSA-N 1 2 331.416 1.746 20 30 EDEDLO C=CCCOCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000121634420 441748968 /nfs/dbraw/zinc/74/89/68/441748968.db2.gz CYRYPAPMDSCKLT-UHFFFAOYSA-N 1 2 347.459 1.911 20 30 EDEDLO COC[C@@](C)(C#N)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000137241703 441758944 /nfs/dbraw/zinc/75/89/44/441758944.db2.gz CBENGSLDABFGQO-MRXNPFEDSA-N 1 2 332.429 1.921 20 30 EDEDLO C=CC[N@@H+](CCC(=O)Nc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000173359516 441723440 /nfs/dbraw/zinc/72/34/40/441723440.db2.gz CDRXKRUGGLOOGF-HNNXBMFYSA-N 1 2 336.457 1.999 20 30 EDEDLO C=CC[N@H+](CCC(=O)Nc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000173359516 441723444 /nfs/dbraw/zinc/72/34/44/441723444.db2.gz CDRXKRUGGLOOGF-HNNXBMFYSA-N 1 2 336.457 1.999 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCN(c4cccnn4)CC3)o2)cc1 ZINC000173613567 441805783 /nfs/dbraw/zinc/80/57/83/441805783.db2.gz WIHRUHNGULZKFL-UHFFFAOYSA-N 1 2 347.382 1.720 20 30 EDEDLO C#CCCCCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000160078545 441856760 /nfs/dbraw/zinc/85/67/60/441856760.db2.gz DJANATVJBVPFRZ-HNNXBMFYSA-N 1 2 330.432 1.909 20 30 EDEDLO N#Cc1ccncc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000094152215 441907841 /nfs/dbraw/zinc/90/78/41/441907841.db2.gz BTXCGMNFCOFDLZ-UHFFFAOYSA-N 1 2 336.399 1.499 20 30 EDEDLO C[C@@H](NC(=O)C[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000078255917 441910737 /nfs/dbraw/zinc/91/07/37/441910737.db2.gz KXUAESNCQHFESS-MRXNPFEDSA-N 1 2 349.438 1.953 20 30 EDEDLO N#Cc1cccn(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1=O ZINC000119090961 441916205 /nfs/dbraw/zinc/91/62/05/441916205.db2.gz WPTHCGLASZBZAO-UHFFFAOYSA-N 1 2 342.424 1.126 20 30 EDEDLO N#CCNC(=O)C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093318988 441877714 /nfs/dbraw/zinc/87/77/14/441877714.db2.gz ZVCDPRGMJDTQKK-NSHDSACASA-N 1 2 328.294 1.193 20 30 EDEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093318988 441877717 /nfs/dbraw/zinc/87/77/17/441877717.db2.gz ZVCDPRGMJDTQKK-NSHDSACASA-N 1 2 328.294 1.193 20 30 EDEDLO C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000117776359 441878484 /nfs/dbraw/zinc/87/84/84/441878484.db2.gz BUNOITAFTRWMKB-QAPCUYQASA-N 1 2 343.427 1.626 20 30 EDEDLO Cc1noc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000078571471 441945598 /nfs/dbraw/zinc/94/55/98/441945598.db2.gz ULHSSPREKOKNHA-UHFFFAOYSA-N 1 2 339.399 1.527 20 30 EDEDLO COCc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000079298374 442036873 /nfs/dbraw/zinc/03/68/73/442036873.db2.gz YFIGODKXFAAFPC-UHFFFAOYSA-N 1 2 340.383 1.651 20 30 EDEDLO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000120443063 442073002 /nfs/dbraw/zinc/07/30/02/442073002.db2.gz GGCGFUFQVPJDJU-INIZCTEOSA-N 1 2 338.860 1.848 20 30 EDEDLO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000120443063 442073008 /nfs/dbraw/zinc/07/30/08/442073008.db2.gz GGCGFUFQVPJDJU-INIZCTEOSA-N 1 2 338.860 1.848 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCNC(=O)CC2)c1 ZINC000126166998 442085249 /nfs/dbraw/zinc/08/52/49/442085249.db2.gz KOPBQOHHHLIPQZ-MRXNPFEDSA-N 1 2 342.443 1.761 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCNC(=O)CC2)c1 ZINC000126166998 442085250 /nfs/dbraw/zinc/08/52/50/442085250.db2.gz KOPBQOHHHLIPQZ-MRXNPFEDSA-N 1 2 342.443 1.761 20 30 EDEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000121221821 442193715 /nfs/dbraw/zinc/19/37/15/442193715.db2.gz LDRGXLZDQSRCGI-KRWDZBQOSA-N 1 2 338.473 1.461 20 30 EDEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 ZINC000127336449 442195083 /nfs/dbraw/zinc/19/50/83/442195083.db2.gz ZSSQVPULWRWZTQ-UHFFFAOYSA-N 1 2 344.415 1.472 20 30 EDEDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)C2 ZINC000121343429 442205374 /nfs/dbraw/zinc/20/53/74/442205374.db2.gz ODRBAQCBTBMZFI-ZDUSSCGKSA-N 1 2 334.376 1.496 20 30 EDEDLO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CO[NH+]=C(N)CCO ZINC000121327541 442203636 /nfs/dbraw/zinc/20/36/36/442203636.db2.gz ZAYLYMRKPKOHBU-UHFFFAOYSA-N 1 2 334.203 1.623 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC(=O)NC1CC1 ZINC000127016202 442162657 /nfs/dbraw/zinc/16/26/57/442162657.db2.gz STFFMMDGZYRUMP-CYBMUJFWSA-N 1 2 346.406 1.671 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC(=O)NC1CC1 ZINC000127016202 442162661 /nfs/dbraw/zinc/16/26/61/442162661.db2.gz STFFMMDGZYRUMP-CYBMUJFWSA-N 1 2 346.406 1.671 20 30 EDEDLO COCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H](C)C(N)=O ZINC000177144454 442304848 /nfs/dbraw/zinc/30/48/48/442304848.db2.gz ABOHUIYMUFFELB-LBPRGKRZSA-N 1 2 328.334 1.879 20 30 EDEDLO COCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H](C)C(N)=O ZINC000177144454 442304852 /nfs/dbraw/zinc/30/48/52/442304852.db2.gz ABOHUIYMUFFELB-LBPRGKRZSA-N 1 2 328.334 1.879 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)NCc1ccc(C#N)cc1F)[NH+]1CCOCC1 ZINC000170935627 442292127 /nfs/dbraw/zinc/29/21/27/442292127.db2.gz SYVTUVKAONNTDN-QWHCGFSZSA-N 1 2 334.395 1.606 20 30 EDEDLO C=CCSCCNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000171727894 442375153 /nfs/dbraw/zinc/37/51/53/442375153.db2.gz QXFPBYXLJZCNKR-OAHLLOKOSA-N 1 2 326.510 1.327 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000178414284 442431166 /nfs/dbraw/zinc/43/11/66/442431166.db2.gz LGTDSMOPMJQNLQ-UHFFFAOYSA-N 1 2 347.378 1.812 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178465585 442436231 /nfs/dbraw/zinc/43/62/31/442436231.db2.gz RCLDPCYFGGSZIN-UHFFFAOYSA-N 1 2 344.415 1.032 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178465585 442436234 /nfs/dbraw/zinc/43/62/34/442436234.db2.gz RCLDPCYFGGSZIN-UHFFFAOYSA-N 1 2 344.415 1.032 20 30 EDEDLO C[C@H](C(=O)NC1CC1)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186297273 442506485 /nfs/dbraw/zinc/50/64/85/442506485.db2.gz UEPDXUVSOUOYDV-LSDHHAIUSA-N 1 2 326.444 1.904 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186297273 442506489 /nfs/dbraw/zinc/50/64/89/442506489.db2.gz UEPDXUVSOUOYDV-LSDHHAIUSA-N 1 2 326.444 1.904 20 30 EDEDLO Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000156717156 442513087 /nfs/dbraw/zinc/51/30/87/442513087.db2.gz TXLYCMIOEJWKJA-GOEBONIOSA-N 1 2 327.388 1.264 20 30 EDEDLO Cn1cnnc1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000156717156 442513093 /nfs/dbraw/zinc/51/30/93/442513093.db2.gz TXLYCMIOEJWKJA-GOEBONIOSA-N 1 2 327.388 1.264 20 30 EDEDLO CCOCC[NH+]1CCN(S(=O)(=O)c2cccc(C)c2C#N)CC1 ZINC000157437643 442584156 /nfs/dbraw/zinc/58/41/56/442584156.db2.gz GAAMKTSMLNWDSK-UHFFFAOYSA-N 1 2 337.445 1.210 20 30 EDEDLO CCc1nn(C)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000180712526 442651439 /nfs/dbraw/zinc/65/14/39/442651439.db2.gz WBHTXBWKCZIBBO-ZDUSSCGKSA-N 1 2 325.420 1.355 20 30 EDEDLO CCc1nn(C)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000180712526 442651444 /nfs/dbraw/zinc/65/14/44/442651444.db2.gz WBHTXBWKCZIBBO-ZDUSSCGKSA-N 1 2 325.420 1.355 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000193329035 442733768 /nfs/dbraw/zinc/73/37/68/442733768.db2.gz QVVOZLLMMQVKBA-ZDUSSCGKSA-N 1 2 326.400 1.104 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246694859 442804014 /nfs/dbraw/zinc/80/40/14/442804014.db2.gz KIPWAUVXSOHNEP-UONOGXRCSA-N 1 2 338.452 1.688 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246694859 442804019 /nfs/dbraw/zinc/80/40/19/442804019.db2.gz KIPWAUVXSOHNEP-UONOGXRCSA-N 1 2 338.452 1.688 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)[C@@H]2C1 ZINC000247197826 442841135 /nfs/dbraw/zinc/84/11/35/442841135.db2.gz YMXYWRIVLJOBMU-ZACQAIPSSA-N 1 2 349.475 1.940 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)[C@@H]2C1 ZINC000247197826 442841140 /nfs/dbraw/zinc/84/11/40/442841140.db2.gz YMXYWRIVLJOBMU-ZACQAIPSSA-N 1 2 349.475 1.940 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)[C@@H]2CCN(C)C2=O)cc1 ZINC000265669035 442872644 /nfs/dbraw/zinc/87/26/44/442872644.db2.gz WGZXFBTUFMZIEK-DOTOQJQBSA-N 1 2 342.443 1.793 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCN(C)C2=O)cc1 ZINC000265669035 442872647 /nfs/dbraw/zinc/87/26/47/442872647.db2.gz WGZXFBTUFMZIEK-DOTOQJQBSA-N 1 2 342.443 1.793 20 30 EDEDLO NC(CCO)=[NH+]O[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189357838 442928650 /nfs/dbraw/zinc/92/86/50/442928650.db2.gz YUVXRFMOIDZCSX-CYBMUJFWSA-N 1 2 327.331 1.127 20 30 EDEDLO CCC[C@H]1C[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CCO1 ZINC000183973912 442979415 /nfs/dbraw/zinc/97/94/15/442979415.db2.gz KROFFNKGBDFBAN-IRXDYDNUSA-N 1 2 337.464 1.656 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184201766 443001769 /nfs/dbraw/zinc/00/17/69/443001769.db2.gz LDJCAYOEUSXUSD-ZIAGYGMSSA-N 1 2 337.420 1.983 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)N(CC)Cc2ccccc2)CC1 ZINC000268872755 443133266 /nfs/dbraw/zinc/13/32/66/443133266.db2.gz PMGDCGAALBWAGJ-UHFFFAOYSA-N 1 2 335.473 1.394 20 30 EDEDLO CCOc1ccnc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)n1 ZINC000191339687 443281120 /nfs/dbraw/zinc/28/11/20/443281120.db2.gz CPOSLQGPZFUMPK-UHFFFAOYSA-N 1 2 326.404 1.408 20 30 EDEDLO C=CC[C@H](CO)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000185820282 443263426 /nfs/dbraw/zinc/26/34/26/443263426.db2.gz PATPHGJRDREILP-MRXNPFEDSA-N 1 2 342.399 1.579 20 30 EDEDLO CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)cc1C#N ZINC000269769730 443433687 /nfs/dbraw/zinc/43/36/87/443433687.db2.gz BTVISJHZDNNRGX-CQSZACIVSA-N 1 2 332.360 1.396 20 30 EDEDLO CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000269769730 443433691 /nfs/dbraw/zinc/43/36/91/443433691.db2.gz BTVISJHZDNNRGX-CQSZACIVSA-N 1 2 332.360 1.396 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278674680 443399065 /nfs/dbraw/zinc/39/90/65/443399065.db2.gz IMLBJRKZJIIKBQ-XBFCOCLRSA-N 1 2 335.429 1.057 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCO)Cc1ccc(OC)cc1OC ZINC000264740642 443399759 /nfs/dbraw/zinc/39/97/59/443399759.db2.gz RYPZNLQSJWTFFY-UHFFFAOYSA-N 1 2 348.443 1.699 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+](CCO)Cc1ccc(OC)cc1OC ZINC000264740642 443399762 /nfs/dbraw/zinc/39/97/62/443399762.db2.gz RYPZNLQSJWTFFY-UHFFFAOYSA-N 1 2 348.443 1.699 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000270960439 443486062 /nfs/dbraw/zinc/48/60/62/443486062.db2.gz UYUJPMUTCMZSOQ-CQSZACIVSA-N 1 2 333.411 1.351 20 30 EDEDLO C#CC[N@@H+](CC)CC(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000269987980 443457114 /nfs/dbraw/zinc/45/71/14/443457114.db2.gz QIQGZDWSOQKJBS-UHFFFAOYSA-N 1 2 333.457 1.761 20 30 EDEDLO C#CC[N@H+](CC)CC(=O)N(C)CC(=O)Nc1ccccc1SC ZINC000269987980 443457118 /nfs/dbraw/zinc/45/71/18/443457118.db2.gz QIQGZDWSOQKJBS-UHFFFAOYSA-N 1 2 333.457 1.761 20 30 EDEDLO C=C[C@@H](CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000270341311 443466912 /nfs/dbraw/zinc/46/69/12/443466912.db2.gz ORHGSNRJQPXASW-HNNXBMFYSA-N 1 2 329.444 1.754 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cn(-c3ccc(F)cc3C)nn2)CC1 ZINC000271293235 443499671 /nfs/dbraw/zinc/49/96/71/443499671.db2.gz NEXXTOLHRLRQKN-UHFFFAOYSA-N 1 2 341.390 1.496 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(Br)c(C)nn1C ZINC000279186787 443529099 /nfs/dbraw/zinc/52/90/99/443529099.db2.gz SNXXJANZQAGPNJ-UHFFFAOYSA-N 1 2 336.255 1.181 20 30 EDEDLO CCN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1=O ZINC000273577033 443581286 /nfs/dbraw/zinc/58/12/86/443581286.db2.gz ZATAPMCFBBELAN-UHFFFAOYSA-N 1 2 346.456 1.601 20 30 EDEDLO CCN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1=O ZINC000273577033 443581288 /nfs/dbraw/zinc/58/12/88/443581288.db2.gz ZATAPMCFBBELAN-UHFFFAOYSA-N 1 2 346.456 1.601 20 30 EDEDLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)N(CCC#N)c1ccccc1 ZINC000273940031 443587860 /nfs/dbraw/zinc/58/78/60/443587860.db2.gz DHNBETCGDZYLJH-ZIAGYGMSSA-N 1 2 326.404 1.801 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)c1ccc(C#N)[nH]1 ZINC000279593081 443609836 /nfs/dbraw/zinc/60/98/36/443609836.db2.gz MQQQKPLNUVEQIJ-ZFWWWQNUSA-N 1 2 344.394 1.304 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)c1ccc(C#N)[nH]1 ZINC000279593081 443609841 /nfs/dbraw/zinc/60/98/41/443609841.db2.gz MQQQKPLNUVEQIJ-ZFWWWQNUSA-N 1 2 344.394 1.304 20 30 EDEDLO CC(C)Nc1nc(N(C)Cc2ccc(C#N)cc2)nc(NCCO)[nH+]1 ZINC000283595954 443670044 /nfs/dbraw/zinc/67/00/44/443670044.db2.gz QEJKNTVKSGZRST-UHFFFAOYSA-N 1 2 341.419 1.604 20 30 EDEDLO CC(C)Nc1nc(NCCO)[nH+]c(N(C)Cc2ccc(C#N)cc2)n1 ZINC000283595954 443670047 /nfs/dbraw/zinc/67/00/47/443670047.db2.gz QEJKNTVKSGZRST-UHFFFAOYSA-N 1 2 341.419 1.604 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000290926913 443713257 /nfs/dbraw/zinc/71/32/57/443713257.db2.gz RIGWMQBWFAWZLQ-AOIWGVFYSA-N 1 2 330.428 1.425 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000290926913 443713261 /nfs/dbraw/zinc/71/32/61/443713261.db2.gz RIGWMQBWFAWZLQ-AOIWGVFYSA-N 1 2 330.428 1.425 20 30 EDEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)c1ccsc1 ZINC000286538698 443715373 /nfs/dbraw/zinc/71/53/73/443715373.db2.gz GXZJLQWOCNBBLJ-LBPRGKRZSA-N 1 2 325.415 1.794 20 30 EDEDLO C[N@@H+]1CCN(C(=O)C(=O)NCCCCC#N)[C@@H](c2ccccc2)C1 ZINC000286822592 443726693 /nfs/dbraw/zinc/72/66/93/443726693.db2.gz XGGGIHFNIVJYKP-MRXNPFEDSA-N 1 2 328.416 1.312 20 30 EDEDLO C[N@H+]1CCN(C(=O)C(=O)NCCCCC#N)[C@@H](c2ccccc2)C1 ZINC000286822592 443726698 /nfs/dbraw/zinc/72/66/98/443726698.db2.gz XGGGIHFNIVJYKP-MRXNPFEDSA-N 1 2 328.416 1.312 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC)c(OC)c1 ZINC000280701950 443741943 /nfs/dbraw/zinc/74/19/43/443741943.db2.gz ILKDSBFKLGPTFC-DZGCQCFKSA-N 1 2 337.416 1.657 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)C(=O)OC)c(OC)c1 ZINC000280701950 443741946 /nfs/dbraw/zinc/74/19/46/443741946.db2.gz ILKDSBFKLGPTFC-DZGCQCFKSA-N 1 2 337.416 1.657 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C)CC1 ZINC000283857231 443744590 /nfs/dbraw/zinc/74/45/90/443744590.db2.gz SIWFNSOJSPODMD-UHFFFAOYSA-N 1 2 329.379 1.288 20 30 EDEDLO C=CCCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000292341765 443790946 /nfs/dbraw/zinc/79/09/46/443790946.db2.gz PCJXHYLAEPMOFM-CQSZACIVSA-N 1 2 327.450 1.773 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000283881939 443754046 /nfs/dbraw/zinc/75/40/46/443754046.db2.gz CRWXSWWASIZTCG-YGRLFVJLSA-N 1 2 334.376 1.440 20 30 EDEDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000280908525 443771694 /nfs/dbraw/zinc/77/16/94/443771694.db2.gz QGNPUEBOQMJBMZ-CYBMUJFWSA-N 1 2 327.388 1.852 20 30 EDEDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000280908525 443771695 /nfs/dbraw/zinc/77/16/95/443771695.db2.gz QGNPUEBOQMJBMZ-CYBMUJFWSA-N 1 2 327.388 1.852 20 30 EDEDLO C=CCN(CCC#N)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000292142641 443778892 /nfs/dbraw/zinc/77/88/92/443778892.db2.gz JQZRWGIKPCMELY-UHFFFAOYSA-N 1 2 342.443 1.859 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(c3c(F)cccc3F)C2=O)C1=O ZINC000281321632 443878920 /nfs/dbraw/zinc/87/89/20/443878920.db2.gz LHZPXTDCWWZSIO-HUUCEWRRSA-N 1 2 349.381 1.789 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(c3c(F)cccc3F)C2=O)C1=O ZINC000281321632 443878922 /nfs/dbraw/zinc/87/89/22/443878922.db2.gz LHZPXTDCWWZSIO-HUUCEWRRSA-N 1 2 349.381 1.789 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3c(F)cccc3F)C2=O)C1=O ZINC000281321635 443879091 /nfs/dbraw/zinc/87/90/91/443879091.db2.gz LHZPXTDCWWZSIO-LSDHHAIUSA-N 1 2 349.381 1.789 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3c(F)cccc3F)C2=O)C1=O ZINC000281321635 443879097 /nfs/dbraw/zinc/87/90/97/443879097.db2.gz LHZPXTDCWWZSIO-LSDHHAIUSA-N 1 2 349.381 1.789 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000298729739 443851750 /nfs/dbraw/zinc/85/17/50/443851750.db2.gz NQXOMTUSOVUVTJ-UHFFFAOYSA-N 1 2 327.432 1.089 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)C1=O ZINC000281301487 443874473 /nfs/dbraw/zinc/87/44/73/443874473.db2.gz JXIYXRNLJAQBBN-PKOBYXMFSA-N 1 2 341.455 1.973 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)C1=O ZINC000281301487 443874475 /nfs/dbraw/zinc/87/44/75/443874475.db2.gz JXIYXRNLJAQBBN-PKOBYXMFSA-N 1 2 341.455 1.973 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1=O ZINC000281538087 443938915 /nfs/dbraw/zinc/93/89/15/443938915.db2.gz ZGEZWKPNCLNHIS-AWEZNQCLSA-N 1 2 327.388 1.893 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)C(C)(C)C ZINC000288631533 443939698 /nfs/dbraw/zinc/93/96/98/443939698.db2.gz PKAAOLGERLVVAJ-OAHLLOKOSA-N 1 2 330.432 1.765 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)nc[nH+]1 ZINC000299059325 443941701 /nfs/dbraw/zinc/94/17/01/443941701.db2.gz UWXRFKPCHTYWIX-OCCSQVGLSA-N 1 2 340.387 1.194 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH+]cn1 ZINC000299059325 443941704 /nfs/dbraw/zinc/94/17/04/443941704.db2.gz UWXRFKPCHTYWIX-OCCSQVGLSA-N 1 2 340.387 1.194 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298927181 443905018 /nfs/dbraw/zinc/90/50/18/443905018.db2.gz NRMBWCGLZFBFTI-WFASDCNBSA-N 1 2 328.372 1.370 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1ccc(C#N)cn1 ZINC000281443859 443913036 /nfs/dbraw/zinc/91/30/36/443913036.db2.gz KISMVUPEUNDYEH-HOTGVXAUSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1ccc(C#N)cn1 ZINC000281443859 443913041 /nfs/dbraw/zinc/91/30/41/443913041.db2.gz KISMVUPEUNDYEH-HOTGVXAUSA-N 1 2 328.395 1.736 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000281526060 443935696 /nfs/dbraw/zinc/93/56/96/443935696.db2.gz YHFLVHSLJJTVSO-KKUMJFAQSA-N 1 2 337.443 1.986 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1=O ZINC000281643992 443967973 /nfs/dbraw/zinc/96/79/73/443967973.db2.gz HPTCDGDFUNHTQP-CQSZACIVSA-N 1 2 325.372 1.126 20 30 EDEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000299204650 443982015 /nfs/dbraw/zinc/98/20/15/443982015.db2.gz VEJVWEGDETWDRC-UHFFFAOYSA-N 1 2 329.444 1.408 20 30 EDEDLO C#CCC(CC#C)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000277652779 444018449 /nfs/dbraw/zinc/01/84/49/444018449.db2.gz LAWGJPDQVKTWNO-FQEVSTJZSA-N 1 2 338.451 1.709 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COCc1ccccc1 ZINC000299578195 444084359 /nfs/dbraw/zinc/08/43/59/444084359.db2.gz YGKKPDBKYXTWDW-UHFFFAOYSA-N 1 2 331.416 1.278 20 30 EDEDLO Cc1cc(N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c(C#N)c[nH+]1 ZINC000570565378 321348120 /nfs/dbraw/zinc/34/81/20/321348120.db2.gz IMMFHQXLUMSBSH-HNNXBMFYSA-N 1 2 342.424 1.559 20 30 EDEDLO Cc1nc(N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)cc[nH+]1 ZINC000295158411 444167129 /nfs/dbraw/zinc/16/71/29/444167129.db2.gz OKIJSCLDKUJKJK-UHFFFAOYSA-N 1 2 337.449 1.177 20 30 EDEDLO N#Cc1cccc(-n2ccc(-c3nc([C@H]4C[NH+]5CCN4CC5)no3)n2)c1 ZINC000289761206 444200008 /nfs/dbraw/zinc/20/00/08/444200008.db2.gz PDOZATQFKKXQDT-MRXNPFEDSA-N 1 2 347.382 1.466 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1)C1CC1 ZINC000296570427 444239257 /nfs/dbraw/zinc/23/92/57/444239257.db2.gz DCODFFFQPKEVQA-LJQANCHMSA-N 1 2 340.427 1.558 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1)C1CC1 ZINC000296570427 444239260 /nfs/dbraw/zinc/23/92/60/444239260.db2.gz DCODFFFQPKEVQA-LJQANCHMSA-N 1 2 340.427 1.558 20 30 EDEDLO CC[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000318485190 444319675 /nfs/dbraw/zinc/31/96/75/444319675.db2.gz VAVXJRKRNFATTN-GFCCVEGCSA-N 1 2 343.836 1.211 20 30 EDEDLO CC[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000318485190 444319678 /nfs/dbraw/zinc/31/96/78/444319678.db2.gz VAVXJRKRNFATTN-GFCCVEGCSA-N 1 2 343.836 1.211 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCCC12CCOCC2)[NH+]1CCOCC1 ZINC000328775332 444348436 /nfs/dbraw/zinc/34/84/36/444348436.db2.gz HWXRQWFQEPZTDV-ARFHVFGLSA-N 1 2 339.480 1.949 20 30 EDEDLO C[C@](O)(CNC(=O)[C@@H]1CCC(=O)c2ccccc21)C[NH+]1CCOCC1 ZINC000328800540 444357765 /nfs/dbraw/zinc/35/77/65/444357765.db2.gz IKLTUNIJYGKNMT-APWZRJJASA-N 1 2 346.427 1.786 20 30 EDEDLO N#CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCCC1 ZINC000328802990 444358707 /nfs/dbraw/zinc/35/87/07/444358707.db2.gz JVYTWYGTFAPMIR-HNNXBMFYSA-N 1 2 348.447 1.493 20 30 EDEDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCCC(=O)N1 ZINC000328839949 444369683 /nfs/dbraw/zinc/36/96/83/444369683.db2.gz YXBVLVHLGDCRAK-DOMZBBRYSA-N 1 2 327.450 1.660 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)Nc2cnn(C)c2)C1 ZINC000328630446 444402742 /nfs/dbraw/zinc/40/27/42/444402742.db2.gz PVWWXEZZLQZZOE-CYBMUJFWSA-N 1 2 330.392 1.580 20 30 EDEDLO CC(=O)N[C@H](C)C1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000331136477 444410950 /nfs/dbraw/zinc/41/09/50/444410950.db2.gz SBNWTPASOCMFCL-GFCCVEGCSA-N 1 2 346.431 1.943 20 30 EDEDLO O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328678566 444426795 /nfs/dbraw/zinc/42/67/95/444426795.db2.gz BFPGLYXMOVISQP-GDBMZVCRSA-N 1 2 347.463 1.745 20 30 EDEDLO CCOCCC1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000328875243 444384551 /nfs/dbraw/zinc/38/45/51/444384551.db2.gz JSAGKGSGCOIDEA-CABCVRRESA-N 1 2 325.453 1.512 20 30 EDEDLO CCOCCC1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000328875243 444384554 /nfs/dbraw/zinc/38/45/54/444384554.db2.gz JSAGKGSGCOIDEA-CABCVRRESA-N 1 2 325.453 1.512 20 30 EDEDLO CCOC1CC(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000328901028 444395270 /nfs/dbraw/zinc/39/52/70/444395270.db2.gz YPINDFDXXSAIHK-CKUJCDMFSA-N 1 2 325.453 1.511 20 30 EDEDLO CCOC1CC(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000328901028 444395273 /nfs/dbraw/zinc/39/52/73/444395273.db2.gz YPINDFDXXSAIHK-CKUJCDMFSA-N 1 2 325.453 1.511 20 30 EDEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329103294 444473268 /nfs/dbraw/zinc/47/32/68/444473268.db2.gz CAKVQZVQZNEICM-QGPMSJSTSA-N 1 2 347.415 1.787 20 30 EDEDLO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000337838321 444431483 /nfs/dbraw/zinc/43/14/83/444431483.db2.gz KDAVVTDFWRXIRO-KRWDZBQOSA-N 1 2 342.443 1.555 20 30 EDEDLO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000337838321 444431487 /nfs/dbraw/zinc/43/14/87/444431487.db2.gz KDAVVTDFWRXIRO-KRWDZBQOSA-N 1 2 342.443 1.555 20 30 EDEDLO Cc1noc(C)c1NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000328989946 444436303 /nfs/dbraw/zinc/43/63/03/444436303.db2.gz HZCVHIQGJQFWLY-UHFFFAOYSA-N 1 2 345.407 1.230 20 30 EDEDLO Cc1noc([C@@H]2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)n1 ZINC000329118681 444476623 /nfs/dbraw/zinc/47/66/23/444476623.db2.gz JNPGBHOGPDPPKT-GFCCVEGCSA-N 1 2 330.392 1.814 20 30 EDEDLO Cc1ccn2cc(CNC(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)[nH+]c2c1 ZINC000329120056 444476947 /nfs/dbraw/zinc/47/69/47/444476947.db2.gz POMJUQQPHFPZHF-RDTXWAMCSA-N 1 2 344.415 1.984 20 30 EDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@]2(CCOC2)O1 ZINC000331554982 444477891 /nfs/dbraw/zinc/47/78/91/444477891.db2.gz GBKJPXFTCWSQRE-XYVMCAHJSA-N 1 2 337.464 1.699 20 30 EDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@]2(CCOC2)O1 ZINC000331554982 444477893 /nfs/dbraw/zinc/47/78/93/444477893.db2.gz GBKJPXFTCWSQRE-XYVMCAHJSA-N 1 2 337.464 1.699 20 30 EDEDLO CC(C)c1nnc2n1C[C@H](NC(=O)[C@H](c1c[nH+]cn1C)N(C)C)CC2 ZINC000329124523 444478287 /nfs/dbraw/zinc/47/82/87/444478287.db2.gz XQCRQQKSZHRHAA-DOMZBBRYSA-N 1 2 345.451 1.709 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3nccn3-c3ccccc3)C[C@H]21 ZINC000329138730 444481915 /nfs/dbraw/zinc/48/19/15/444481915.db2.gz SCFBQBYCQKQFCJ-CVEARBPZSA-N 1 2 341.415 1.823 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3nccn3-c3ccccc3)C[C@H]21 ZINC000329138730 444481918 /nfs/dbraw/zinc/48/19/18/444481918.db2.gz SCFBQBYCQKQFCJ-CVEARBPZSA-N 1 2 341.415 1.823 20 30 EDEDLO CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)C1CCOCC1 ZINC000329141030 444482289 /nfs/dbraw/zinc/48/22/89/444482289.db2.gz TZWBBGLBHOUQTI-JYJNAYRXSA-N 1 2 325.453 1.511 20 30 EDEDLO CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)C1CCOCC1 ZINC000329141030 444482293 /nfs/dbraw/zinc/48/22/93/444482293.db2.gz TZWBBGLBHOUQTI-JYJNAYRXSA-N 1 2 325.453 1.511 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000332063347 444499413 /nfs/dbraw/zinc/49/94/13/444499413.db2.gz QNZADJGPKLMTBZ-UHFFFAOYSA-N 1 2 341.459 1.855 20 30 EDEDLO CCn1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)ccc1=O ZINC000329206792 444501688 /nfs/dbraw/zinc/50/16/88/444501688.db2.gz YICVNWQNHAEWBB-UKRRQHHQSA-N 1 2 334.420 1.209 20 30 EDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000332160706 444502997 /nfs/dbraw/zinc/50/29/97/444502997.db2.gz YSNBXMZNHMPHJD-ROUUACIJSA-N 1 2 342.443 1.116 20 30 EDEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000332160706 444503000 /nfs/dbraw/zinc/50/30/00/444503000.db2.gz YSNBXMZNHMPHJD-ROUUACIJSA-N 1 2 342.443 1.116 20 30 EDEDLO CO[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C1(C)C ZINC000329229329 444506842 /nfs/dbraw/zinc/50/68/42/444506842.db2.gz JGIIJJOITYIOEH-LJISPDSOSA-N 1 2 325.453 1.509 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCC[C@@H]2CCCCO2)CC1 ZINC000329322298 444534842 /nfs/dbraw/zinc/53/48/42/444534842.db2.gz JKVSKWSGWORJBT-ZDUSSCGKSA-N 1 2 326.441 1.791 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1noc(C2CC2)n1 ZINC000329260968 444515294 /nfs/dbraw/zinc/51/52/94/444515294.db2.gz FSFAHCQHBPCEMO-YPMHNXCESA-N 1 2 335.408 1.156 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccon3)s2)CC1 ZINC000329270485 444517518 /nfs/dbraw/zinc/51/75/18/444517518.db2.gz HDVNIUGIPHXHEG-SNVBAGLBSA-N 1 2 348.432 1.823 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C([O-])=[NH+][C@@H](C)Cn2cccn2)CC1 ZINC000329395076 444561644 /nfs/dbraw/zinc/56/16/44/444561644.db2.gz WWMXMXKDAGJTRS-HNNXBMFYSA-N 1 2 328.420 1.711 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)Cn2cccn2)CC1 ZINC000329395076 444561647 /nfs/dbraw/zinc/56/16/47/444561647.db2.gz WWMXMXKDAGJTRS-HNNXBMFYSA-N 1 2 328.420 1.711 20 30 EDEDLO Cc1ccc(N2CCC[C@H](NC(=O)N(C)Cc3[nH+]ccn3C)C2)nn1 ZINC000329403689 444565517 /nfs/dbraw/zinc/56/55/17/444565517.db2.gz WTNGVCGMTIIMNF-AWEZNQCLSA-N 1 2 343.435 1.533 20 30 EDEDLO CC1(C)CC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329421448 444572808 /nfs/dbraw/zinc/57/28/08/444572808.db2.gz DSYABRFMSZPZSL-LSDHHAIUSA-N 1 2 337.464 1.702 20 30 EDEDLO CC1(C)CC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329421447 444573292 /nfs/dbraw/zinc/57/32/92/444573292.db2.gz DSYABRFMSZPZSL-GJZGRUSLSA-N 1 2 337.464 1.702 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329422920 444573724 /nfs/dbraw/zinc/57/37/24/444573724.db2.gz FRSLPVUQTAOYLL-MRVWCRGKSA-N 1 2 325.434 1.758 20 30 EDEDLO Cc1nc2n(n1)C[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)CC2 ZINC000329436823 444578489 /nfs/dbraw/zinc/57/84/89/444578489.db2.gz MANVADFRIYGJAD-GFCCVEGCSA-N 1 2 327.379 1.835 20 30 EDEDLO CCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000340856241 444546499 /nfs/dbraw/zinc/54/64/99/444546499.db2.gz OYEVVRKCNIYSKO-INIZCTEOSA-N 1 2 349.456 1.074 20 30 EDEDLO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000340856241 444546503 /nfs/dbraw/zinc/54/65/03/444546503.db2.gz OYEVVRKCNIYSKO-INIZCTEOSA-N 1 2 349.456 1.074 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NC[C@H]2CC2(C)C)CC1 ZINC000329471951 444594413 /nfs/dbraw/zinc/59/44/13/444594413.db2.gz ZYEASTFUMUUYPS-GFCCVEGCSA-N 1 2 343.435 1.445 20 30 EDEDLO O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)N1CCn2cc[nH+]c2C1 ZINC000329528414 444616449 /nfs/dbraw/zinc/61/64/49/444616449.db2.gz UQWRJNYKODSZGR-AWEZNQCLSA-N 1 2 346.435 1.293 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329665904 444671688 /nfs/dbraw/zinc/67/16/88/444671688.db2.gz KRSYYJGUUQZBFD-IKGGRYGDSA-N 1 2 339.480 1.555 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329665904 444671691 /nfs/dbraw/zinc/67/16/91/444671691.db2.gz KRSYYJGUUQZBFD-IKGGRYGDSA-N 1 2 339.480 1.555 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000333118501 444639249 /nfs/dbraw/zinc/63/92/49/444639249.db2.gz HSWOXZLEJLSDAB-CBYDULDESA-N 1 2 348.491 1.321 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000333118501 444639252 /nfs/dbraw/zinc/63/92/52/444639252.db2.gz HSWOXZLEJLSDAB-CBYDULDESA-N 1 2 348.491 1.321 20 30 EDEDLO CCCN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000329595878 444641309 /nfs/dbraw/zinc/64/13/09/444641309.db2.gz VOAKHCKCGXEVOW-QXSJWSMHSA-N 1 2 339.480 1.757 20 30 EDEDLO CCCN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000329595878 444641313 /nfs/dbraw/zinc/64/13/13/444641313.db2.gz VOAKHCKCGXEVOW-QXSJWSMHSA-N 1 2 339.480 1.757 20 30 EDEDLO CN(C)c1noc([C@@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)n1 ZINC000338346197 444646296 /nfs/dbraw/zinc/64/62/96/444646296.db2.gz CHWSKTXJQZJKQA-PXAZEXFGSA-N 1 2 346.435 1.123 20 30 EDEDLO CN(C)c1noc([C@@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)n1 ZINC000338346197 444646301 /nfs/dbraw/zinc/64/63/01/444646301.db2.gz CHWSKTXJQZJKQA-PXAZEXFGSA-N 1 2 346.435 1.123 20 30 EDEDLO C[N@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)[C@@]1(CO)CCOC1 ZINC000329751635 444702360 /nfs/dbraw/zinc/70/23/60/444702360.db2.gz VTJLAPWCEYKVQX-CQSZACIVSA-N 1 2 328.438 1.507 20 30 EDEDLO C[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)[C@@]1(CO)CCOC1 ZINC000329751635 444702362 /nfs/dbraw/zinc/70/23/62/444702362.db2.gz VTJLAPWCEYKVQX-CQSZACIVSA-N 1 2 328.438 1.507 20 30 EDEDLO C[C@@H]1CC(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000329813638 444726298 /nfs/dbraw/zinc/72/62/98/444726298.db2.gz TUPLSLBTEPNVEN-BFYDXBDKSA-N 1 2 339.480 1.901 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000329698306 444683993 /nfs/dbraw/zinc/68/39/93/444683993.db2.gz YUEHEQRYBHPAQK-MGPQQGTHSA-N 1 2 344.477 1.410 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000329698306 444683999 /nfs/dbraw/zinc/68/39/99/444683999.db2.gz YUEHEQRYBHPAQK-MGPQQGTHSA-N 1 2 344.477 1.410 20 30 EDEDLO N#Cc1ncccc1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000329704948 444686798 /nfs/dbraw/zinc/68/67/98/444686798.db2.gz JCIGBEUAGJNWCF-UHFFFAOYSA-N 1 2 327.432 1.478 20 30 EDEDLO C[C@@H]1[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)CCC[N@@H+]1C ZINC000343957123 444693746 /nfs/dbraw/zinc/69/37/46/444693746.db2.gz IBLJGYNCRXDRTI-RNCFNFMXSA-N 1 2 329.372 1.597 20 30 EDEDLO C[C@@H]1[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)CCC[N@H+]1C ZINC000343957123 444693748 /nfs/dbraw/zinc/69/37/48/444693748.db2.gz IBLJGYNCRXDRTI-RNCFNFMXSA-N 1 2 329.372 1.597 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC=CCC2)cn1 ZINC000329899208 444759251 /nfs/dbraw/zinc/75/92/51/444759251.db2.gz FIQGCBCEFWDZQX-JYJNAYRXSA-N 1 2 335.427 1.945 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC=CCC2)cn1 ZINC000329899208 444759257 /nfs/dbraw/zinc/75/92/57/444759257.db2.gz FIQGCBCEFWDZQX-JYJNAYRXSA-N 1 2 335.427 1.945 20 30 EDEDLO Cn1ncc2c1CCC[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000334057736 444765867 /nfs/dbraw/zinc/76/58/67/444765867.db2.gz WLRSGUGOSPAKFI-SFHVURJKSA-N 1 2 335.411 1.845 20 30 EDEDLO Cn1ncc2c1CCC[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000334057736 444765870 /nfs/dbraw/zinc/76/58/70/444765870.db2.gz WLRSGUGOSPAKFI-SFHVURJKSA-N 1 2 335.411 1.845 20 30 EDEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1nncs1 ZINC000344076262 444768600 /nfs/dbraw/zinc/76/86/00/444768600.db2.gz SUYGZWHJMZUDJC-UHFFFAOYSA-N 1 2 331.401 1.497 20 30 EDEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1nncs1 ZINC000344076262 444768602 /nfs/dbraw/zinc/76/86/02/444768602.db2.gz SUYGZWHJMZUDJC-UHFFFAOYSA-N 1 2 331.401 1.497 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3nc(C(F)(F)F)cs3)C[C@H]21 ZINC000329920524 444769346 /nfs/dbraw/zinc/76/93/46/444769346.db2.gz FAANINFIDFSNPN-HTQZYQBOSA-N 1 2 336.339 1.722 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3nc(C(F)(F)F)cs3)C[C@H]21 ZINC000329920524 444769348 /nfs/dbraw/zinc/76/93/48/444769348.db2.gz FAANINFIDFSNPN-HTQZYQBOSA-N 1 2 336.339 1.722 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(NC(=O)NC4CC4)c3)C[C@H]21 ZINC000329934989 444777099 /nfs/dbraw/zinc/77/70/99/444777099.db2.gz QUXOGGMADOEFSF-HZPDHXFCSA-N 1 2 344.415 1.330 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cccc(NC(=O)NC4CC4)c3)C[C@H]21 ZINC000329934989 444777103 /nfs/dbraw/zinc/77/71/03/444777103.db2.gz QUXOGGMADOEFSF-HZPDHXFCSA-N 1 2 344.415 1.330 20 30 EDEDLO CCN1CCC[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1=O ZINC000329936628 444777226 /nfs/dbraw/zinc/77/72/26/444777226.db2.gz DERUFCZZGJZZMY-CQSZACIVSA-N 1 2 347.415 1.337 20 30 EDEDLO CCN1CCC[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1=O ZINC000329936628 444777232 /nfs/dbraw/zinc/77/72/32/444777232.db2.gz DERUFCZZGJZZMY-CQSZACIVSA-N 1 2 347.415 1.337 20 30 EDEDLO CCN1CCN(C(=O)NCC(=O)N2CCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329946188 444780958 /nfs/dbraw/zinc/78/09/58/444780958.db2.gz GFHGKODZASXYFU-CQSZACIVSA-N 1 2 348.451 1.015 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCOc4ccccc43)C[C@H]21 ZINC000329954773 444785354 /nfs/dbraw/zinc/78/53/54/444785354.db2.gz OOZDFXSQUCBDRC-YSVLISHTSA-N 1 2 331.416 1.482 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCOc4ccccc43)C[C@H]21 ZINC000329954773 444785357 /nfs/dbraw/zinc/78/53/57/444785357.db2.gz OOZDFXSQUCBDRC-YSVLISHTSA-N 1 2 331.416 1.482 20 30 EDEDLO CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C1=O ZINC000330028211 444817407 /nfs/dbraw/zinc/81/74/07/444817407.db2.gz OCGPRIMSMVMNPV-LSDHHAIUSA-N 1 2 329.400 1.753 20 30 EDEDLO CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C1=O ZINC000330028211 444817413 /nfs/dbraw/zinc/81/74/13/444817413.db2.gz OCGPRIMSMVMNPV-LSDHHAIUSA-N 1 2 329.400 1.753 20 30 EDEDLO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329962423 444788270 /nfs/dbraw/zinc/78/82/70/444788270.db2.gz SCZLPLGRPJRTPR-CQSZACIVSA-N 1 2 344.477 1.555 20 30 EDEDLO C=C(C)Cn1c(CC2CC2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000338806283 444860286 /nfs/dbraw/zinc/86/02/86/444860286.db2.gz XDYSOBYIUHINAP-INIZCTEOSA-N 1 2 331.464 1.718 20 30 EDEDLO C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)S(=O)(=O)C1CCOCC1 ZINC000330161710 444868594 /nfs/dbraw/zinc/86/85/94/444868594.db2.gz UBMBWICZMCKMRA-UPJWGTAASA-N 1 2 344.477 1.550 20 30 EDEDLO C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)S(=O)(=O)C1CCOCC1 ZINC000330161710 444868597 /nfs/dbraw/zinc/86/85/97/444868597.db2.gz UBMBWICZMCKMRA-UPJWGTAASA-N 1 2 344.477 1.550 20 30 EDEDLO CC(C)CN1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1=O ZINC000330162062 444868616 /nfs/dbraw/zinc/86/86/16/444868616.db2.gz ABLXRUKLAQSQLD-ZIAGYGMSSA-N 1 2 333.436 1.301 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)n1cnc(C#N)n1 ZINC000336953180 444872073 /nfs/dbraw/zinc/87/20/73/444872073.db2.gz WLJUSMJQTJIIDJ-SNVBAGLBSA-N 1 2 325.307 1.674 20 30 EDEDLO Cc1ccn2cc(CNC(=O)C(=O)Nc3ccc(C#N)cc3)[nH+]c2c1 ZINC000342803770 444873101 /nfs/dbraw/zinc/87/31/01/444873101.db2.gz GJNBWRVBDIQKDW-UHFFFAOYSA-N 1 2 333.351 1.769 20 30 EDEDLO COC[C@@H]1C[C@@H](OC)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000344376530 444928970 /nfs/dbraw/zinc/92/89/70/444928970.db2.gz XDASYBLYUPUHLU-UONOGXRCSA-N 1 2 337.807 1.886 20 30 EDEDLO COC[C@@H]1C[C@@H](OC)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000344376530 444928973 /nfs/dbraw/zinc/92/89/73/444928973.db2.gz XDASYBLYUPUHLU-UONOGXRCSA-N 1 2 337.807 1.886 20 30 EDEDLO C[C@@H](C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)n1cnc(C#N)n1 ZINC000336998732 444893788 /nfs/dbraw/zinc/89/37/88/444893788.db2.gz QPVIHUQLTXFWQO-GWCFXTLKSA-N 1 2 348.357 1.408 20 30 EDEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000330243315 444903626 /nfs/dbraw/zinc/90/36/26/444903626.db2.gz COSVAUWMNGJBDL-HOCLYGCPSA-N 1 2 330.432 1.796 20 30 EDEDLO Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000330243315 444903627 /nfs/dbraw/zinc/90/36/27/444903627.db2.gz COSVAUWMNGJBDL-HOCLYGCPSA-N 1 2 330.432 1.796 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(OC)c1 ZINC000330289764 444924130 /nfs/dbraw/zinc/92/41/30/444924130.db2.gz FEVJEIIMLSGBQC-YLQAJVPDSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(OC)c1 ZINC000330289764 444924133 /nfs/dbraw/zinc/92/41/33/444924133.db2.gz FEVJEIIMLSGBQC-YLQAJVPDSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3OCCN(C)[C@H]3C2)c(OC)c1 ZINC000330289764 444924138 /nfs/dbraw/zinc/92/41/38/444924138.db2.gz FEVJEIIMLSGBQC-YLQAJVPDSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3OCCN(C)[C@H]3C2)c(OC)c1 ZINC000330289764 444924144 /nfs/dbraw/zinc/92/41/44/444924144.db2.gz FEVJEIIMLSGBQC-YLQAJVPDSA-N 1 2 349.431 1.695 20 30 EDEDLO C=CCOCC[NH+]1CCN(C(=O)c2cccc(OC)c2OC)CC1 ZINC000338940813 444946005 /nfs/dbraw/zinc/94/60/05/444946005.db2.gz JBQHOMQBFOJSAV-UHFFFAOYSA-N 1 2 334.416 1.664 20 30 EDEDLO Cc1nnc([C@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CCO2)[nH]1 ZINC000330351074 444948621 /nfs/dbraw/zinc/94/86/21/444948621.db2.gz LUSGZFIMYBBGIT-CYBMUJFWSA-N 1 2 345.407 1.133 20 30 EDEDLO Cc1nc([C@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CCO2)n[nH]1 ZINC000330351074 444948626 /nfs/dbraw/zinc/94/86/26/444948626.db2.gz LUSGZFIMYBBGIT-CYBMUJFWSA-N 1 2 345.407 1.133 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330371339 444956560 /nfs/dbraw/zinc/95/65/60/444956560.db2.gz INAAJLSTJVIVLY-DZGCQCFKSA-N 1 2 338.433 1.261 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000337201709 444984018 /nfs/dbraw/zinc/98/40/18/444984018.db2.gz DHHHOSWINAFWNQ-OLZOCXBDSA-N 1 2 347.381 1.506 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000337201709 444984022 /nfs/dbraw/zinc/98/40/22/444984022.db2.gz DHHHOSWINAFWNQ-OLZOCXBDSA-N 1 2 347.381 1.506 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000330643399 445075972 /nfs/dbraw/zinc/07/59/72/445075972.db2.gz DYDBUIMKYIMOHX-HNAYVOBHSA-N 1 2 344.459 1.957 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(=O)n4ccccc4n3)CC2)n1 ZINC000339213781 445092489 /nfs/dbraw/zinc/09/24/89/445092489.db2.gz DKBPZFQKMSZKDZ-UHFFFAOYSA-N 1 2 346.394 1.283 20 30 EDEDLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CCO1 ZINC000330744328 445123522 /nfs/dbraw/zinc/12/35/22/445123522.db2.gz RVZIWVCLNPNPFS-ZJUUUORDSA-N 1 2 325.331 1.324 20 30 EDEDLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CCO1 ZINC000330744328 445123524 /nfs/dbraw/zinc/12/35/24/445123524.db2.gz RVZIWVCLNPNPFS-ZJUUUORDSA-N 1 2 325.331 1.324 20 30 EDEDLO CC(C)(C)n1nnnc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000330930238 445196530 /nfs/dbraw/zinc/19/65/30/445196530.db2.gz ZPJHOJWWBVKCEC-UHFFFAOYSA-N 1 2 339.447 1.618 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000347515601 445240324 /nfs/dbraw/zinc/24/03/24/445240324.db2.gz FXJXYTGKZBPLTD-CABCVRRESA-N 1 2 336.480 1.621 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000347515601 445240325 /nfs/dbraw/zinc/24/03/25/445240325.db2.gz FXJXYTGKZBPLTD-CABCVRRESA-N 1 2 336.480 1.621 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000347525347 445241317 /nfs/dbraw/zinc/24/13/17/445241317.db2.gz TXSJZWDKXRZKPU-UHFFFAOYSA-N 1 2 340.383 1.107 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347332497 445236388 /nfs/dbraw/zinc/23/63/88/445236388.db2.gz HTXJTYDKCSSEQH-ZIAGYGMSSA-N 1 2 349.456 1.499 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347332497 445236390 /nfs/dbraw/zinc/23/63/90/445236390.db2.gz HTXJTYDKCSSEQH-ZIAGYGMSSA-N 1 2 349.456 1.499 20 30 EDEDLO C=CCOC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)OC ZINC000348362782 445267394 /nfs/dbraw/zinc/26/73/94/445267394.db2.gz VLJVHRRFVAJNHS-SFHVURJKSA-N 1 2 343.427 1.861 20 30 EDEDLO Cc1cccc([C@@H](CNC(=O)NCCCC#N)[NH+]2CCOCC2)c1 ZINC000343611241 445263028 /nfs/dbraw/zinc/26/30/28/445263028.db2.gz UXEOAIRLIMEBHZ-QGZVFWFLSA-N 1 2 330.432 1.971 20 30 EDEDLO N#CCCN(C(=O)CCC(=O)NCc1c[nH+]c[nH]1)c1ccccc1 ZINC000359692018 445377722 /nfs/dbraw/zinc/37/77/22/445377722.db2.gz KBHSABVSOFPOJV-UHFFFAOYSA-N 1 2 325.372 1.753 20 30 EDEDLO N#CCCN(C(=O)CCC(=O)NCc1c[nH]c[nH+]1)c1ccccc1 ZINC000359692018 445377725 /nfs/dbraw/zinc/37/77/25/445377725.db2.gz KBHSABVSOFPOJV-UHFFFAOYSA-N 1 2 325.372 1.753 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000352283900 445517844 /nfs/dbraw/zinc/51/78/44/445517844.db2.gz KWWKZTIKJYXFHR-MJGOQNOKSA-N 1 2 332.444 1.812 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000352454235 445531113 /nfs/dbraw/zinc/53/11/13/445531113.db2.gz JUJBJIIXWQUDRG-LJQANCHMSA-N 1 2 348.491 1.910 20 30 EDEDLO COc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(OC)n1 ZINC000357299878 445534309 /nfs/dbraw/zinc/53/43/09/445534309.db2.gz OZCXIJGXAOSKJV-OAHLLOKOSA-N 1 2 326.356 1.287 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2COC[C@H]2O)cc1 ZINC000352792285 445555074 /nfs/dbraw/zinc/55/50/74/445555074.db2.gz LSANSUCJZAOXBM-DLBZAZTESA-N 1 2 347.415 1.023 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2COC[C@H]2O)cc1 ZINC000352792285 445555077 /nfs/dbraw/zinc/55/50/77/445555077.db2.gz LSANSUCJZAOXBM-DLBZAZTESA-N 1 2 347.415 1.023 20 30 EDEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC(C)(C)C#N)c1 ZINC000357890107 445589828 /nfs/dbraw/zinc/58/98/28/445589828.db2.gz ORFVXWWTXMATQO-UHFFFAOYSA-N 1 2 325.372 1.692 20 30 EDEDLO N#CC1(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CCCCC1 ZINC000353189013 445579314 /nfs/dbraw/zinc/57/93/14/445579314.db2.gz DQQIVCBHULURBJ-INIZCTEOSA-N 1 2 335.448 1.410 20 30 EDEDLO CS(=O)(=O)c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000360059449 445548832 /nfs/dbraw/zinc/54/88/32/445548832.db2.gz GJVSPGULWITSKN-INIZCTEOSA-N 1 2 343.408 1.278 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)c2cnn(C)c2C#N)C1 ZINC000356098227 445620204 /nfs/dbraw/zinc/62/02/04/445620204.db2.gz VMYHCESAZJIUII-LBPRGKRZSA-N 1 2 340.387 1.046 20 30 EDEDLO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360290772 445679910 /nfs/dbraw/zinc/67/99/10/445679910.db2.gz HIGMYEBHJILMMG-RDJZCZTQSA-N 1 2 328.416 1.465 20 30 EDEDLO CCCC(=O)N[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360290772 445679913 /nfs/dbraw/zinc/67/99/13/445679913.db2.gz HIGMYEBHJILMMG-RDJZCZTQSA-N 1 2 328.416 1.465 20 30 EDEDLO Cn1cc(C(=O)NCC2CC[NH+](Cc3nc(C#N)cs3)CC2)cn1 ZINC000356218579 445682192 /nfs/dbraw/zinc/68/21/92/445682192.db2.gz MSFPANUHFMWSAK-UHFFFAOYSA-N 1 2 344.444 1.390 20 30 EDEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349900464 445716242 /nfs/dbraw/zinc/71/62/42/445716242.db2.gz YQVNSNHIFKMNTO-JSGCOSHPSA-N 1 2 332.452 1.025 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000349765831 445671326 /nfs/dbraw/zinc/67/13/26/445671326.db2.gz UEEKLQJDKRASJB-UHFFFAOYSA-N 1 2 343.471 1.895 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CCCSCC#N ZINC000363306717 445759793 /nfs/dbraw/zinc/75/97/93/445759793.db2.gz KPUVRRGYSXUHQN-MRXNPFEDSA-N 1 2 343.456 1.763 20 30 EDEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000363890286 445881785 /nfs/dbraw/zinc/88/17/85/445881785.db2.gz QMHQHXWRKBDXKO-HNNXBMFYSA-N 1 2 340.468 1.238 20 30 EDEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000363890286 445881788 /nfs/dbraw/zinc/88/17/88/445881788.db2.gz QMHQHXWRKBDXKO-HNNXBMFYSA-N 1 2 340.468 1.238 20 30 EDEDLO CC#CCCNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000361644182 445861869 /nfs/dbraw/zinc/86/18/69/445861869.db2.gz PAKCTGYBNALMLD-INIZCTEOSA-N 1 2 334.464 1.128 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000372883785 445902119 /nfs/dbraw/zinc/90/21/19/445902119.db2.gz UCZTXLOXHSZDGD-UHFFFAOYSA-N 1 2 344.440 1.935 20 30 EDEDLO C=C(CNC(=O)c1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000366080570 445999903 /nfs/dbraw/zinc/99/99/03/445999903.db2.gz PUMRDSXHWAYCMU-UHFFFAOYSA-N 1 2 340.427 1.659 20 30 EDEDLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000369304202 446059061 /nfs/dbraw/zinc/05/90/61/446059061.db2.gz ZENYNOUSFGWZFP-ZNMIVQPWSA-N 1 2 328.372 1.345 20 30 EDEDLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000369304202 446059066 /nfs/dbraw/zinc/05/90/66/446059066.db2.gz ZENYNOUSFGWZFP-ZNMIVQPWSA-N 1 2 328.372 1.345 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000583641193 326111172 /nfs/dbraw/zinc/11/11/72/326111172.db2.gz HHQKMKFTTWYCRW-INIZCTEOSA-N 1 2 349.456 1.434 20 30 EDEDLO C=CC[N@H+](Cc1nccc(N)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000351493789 446097139 /nfs/dbraw/zinc/09/71/39/446097139.db2.gz WSUYVWFEKIZYNW-CYBMUJFWSA-N 1 2 336.403 1.784 20 30 EDEDLO C=CC[N@@H+](Cc1nccc(N)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000351493789 446097143 /nfs/dbraw/zinc/09/71/43/446097143.db2.gz WSUYVWFEKIZYNW-CYBMUJFWSA-N 1 2 336.403 1.784 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000354325180 446115031 /nfs/dbraw/zinc/11/50/31/446115031.db2.gz FYLZPBJWEGNDMS-LBPRGKRZSA-N 1 2 341.346 1.385 20 30 EDEDLO CC(C)(C(=O)N1CCC(C#N)(c2ccccn2)CC1)[NH+]1CCOCC1 ZINC000367267734 446529170 /nfs/dbraw/zinc/52/91/70/446529170.db2.gz SFHOULJWYYZSPQ-UHFFFAOYSA-N 1 2 342.443 1.576 20 30 EDEDLO N#CCNC(=O)CNC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000367897371 446606396 /nfs/dbraw/zinc/60/63/96/446606396.db2.gz SQAAXGSTKKFPFP-UHFFFAOYSA-N 1 2 340.387 1.524 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(C)cc(C#N)c2)CCO1 ZINC000453751038 446638206 /nfs/dbraw/zinc/63/82/06/446638206.db2.gz XNIJIGBCNWFCSA-MRXNPFEDSA-N 1 2 344.415 1.032 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(C)cc(C#N)c2)CCO1 ZINC000453751038 446638212 /nfs/dbraw/zinc/63/82/12/446638212.db2.gz XNIJIGBCNWFCSA-MRXNPFEDSA-N 1 2 344.415 1.032 20 30 EDEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC000420604534 446698648 /nfs/dbraw/zinc/69/86/48/446698648.db2.gz SGBZYQUPHZTGSS-HUUCEWRRSA-N 1 2 342.447 1.165 20 30 EDEDLO C=C(CNC(=O)N1CCC[N@@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000377017569 446863044 /nfs/dbraw/zinc/86/30/44/446863044.db2.gz XRBKPFZXGPNXKJ-UHFFFAOYSA-N 1 2 330.432 1.163 20 30 EDEDLO C=C(CNC(=O)N1CCC[N@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000377017569 446863049 /nfs/dbraw/zinc/86/30/49/446863049.db2.gz XRBKPFZXGPNXKJ-UHFFFAOYSA-N 1 2 330.432 1.163 20 30 EDEDLO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000420957178 446927217 /nfs/dbraw/zinc/92/72/17/446927217.db2.gz OBLQIJAVIATBNM-JQWIXIFHSA-N 1 2 346.456 1.646 20 30 EDEDLO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000420957178 446927223 /nfs/dbraw/zinc/92/72/23/446927223.db2.gz OBLQIJAVIATBNM-JQWIXIFHSA-N 1 2 346.456 1.646 20 30 EDEDLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000412439575 446954407 /nfs/dbraw/zinc/95/44/07/446954407.db2.gz XKSSBPXDBGHZQQ-UHFFFAOYSA-N 1 2 331.416 1.286 20 30 EDEDLO CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000375697163 446985352 /nfs/dbraw/zinc/98/53/52/446985352.db2.gz LUUBBYHIGPFWCN-MRXNPFEDSA-N 1 2 344.459 1.870 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000413266263 447103801 /nfs/dbraw/zinc/10/38/01/447103801.db2.gz OFEDUFXQGXHHCP-ZWKOTPCHSA-N 1 2 330.476 1.719 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000413266263 447103808 /nfs/dbraw/zinc/10/38/08/447103808.db2.gz OFEDUFXQGXHHCP-ZWKOTPCHSA-N 1 2 330.476 1.719 20 30 EDEDLO N#C[C@@H]1C[N@H+](C[C@@H]2CNc3ccnn3C2)CCN1Cc1ccccc1 ZINC000619265028 450438149 /nfs/dbraw/zinc/43/81/49/450438149.db2.gz OFHSHVVXIJMSCW-ZWKOTPCHSA-N 1 2 336.443 1.635 20 30 EDEDLO N#C[C@@H]1C[N@@H+](C[C@@H]2CNc3ccnn3C2)CCN1Cc1ccccc1 ZINC000619265028 450438153 /nfs/dbraw/zinc/43/81/53/450438153.db2.gz OFHSHVVXIJMSCW-ZWKOTPCHSA-N 1 2 336.443 1.635 20 30 EDEDLO C=CCn1cc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)nn1 ZINC000425264721 447087942 /nfs/dbraw/zinc/08/79/42/447087942.db2.gz QOOSENQRRYCJNU-STQMWFEESA-N 1 2 329.408 1.073 20 30 EDEDLO C=CCn1cc(CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)nn1 ZINC000425264721 447087948 /nfs/dbraw/zinc/08/79/48/447087948.db2.gz QOOSENQRRYCJNU-STQMWFEESA-N 1 2 329.408 1.073 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444793195 447136722 /nfs/dbraw/zinc/13/67/22/447136722.db2.gz GWDTVPUTGINXCI-FMKPAKJESA-N 1 2 343.493 1.328 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444793195 447136727 /nfs/dbraw/zinc/13/67/27/447136727.db2.gz GWDTVPUTGINXCI-FMKPAKJESA-N 1 2 343.493 1.328 20 30 EDEDLO CCO[C@@H]1C[C@@]([NH2+]CCC(=O)N(C)CCC#N)(C(=O)OC)C1(C)C ZINC000444748333 447136754 /nfs/dbraw/zinc/13/67/54/447136754.db2.gz PQBVAMGEBCMGMH-CXAGYDPISA-N 1 2 339.436 1.085 20 30 EDEDLO CCO[C@H]1C[C@@]([NH2+]CCC(=O)N(C)CCC#N)(C(=O)OC)C1(C)C ZINC000444748336 447137253 /nfs/dbraw/zinc/13/72/53/447137253.db2.gz PQBVAMGEBCMGMH-SUMWQHHRSA-N 1 2 339.436 1.085 20 30 EDEDLO CCc1nc([C@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)no1 ZINC000377492225 447161644 /nfs/dbraw/zinc/16/16/44/447161644.db2.gz GNVCDGDRPQSNOQ-AWEZNQCLSA-N 1 2 344.419 1.467 20 30 EDEDLO CCc1nc([C@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)no1 ZINC000377492225 447161650 /nfs/dbraw/zinc/16/16/50/447161650.db2.gz GNVCDGDRPQSNOQ-AWEZNQCLSA-N 1 2 344.419 1.467 20 30 EDEDLO COCC(C)(C)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000425503513 447196973 /nfs/dbraw/zinc/19/69/73/447196973.db2.gz JCRSHONLVUXWHH-UHFFFAOYSA-N 1 2 344.459 1.929 20 30 EDEDLO C[NH+]1CCC(n2ccc(NS(=O)(=O)c3ccc(C#N)cc3)n2)CC1 ZINC000376034116 447223910 /nfs/dbraw/zinc/22/39/10/447223910.db2.gz XSYTVCJIUAEIMD-UHFFFAOYSA-N 1 2 345.428 1.822 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369046150 447285095 /nfs/dbraw/zinc/28/50/95/447285095.db2.gz DLGCSKBDJMFPAS-SJKOYZFVSA-N 1 2 328.372 1.460 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369046150 447285097 /nfs/dbraw/zinc/28/50/97/447285097.db2.gz DLGCSKBDJMFPAS-SJKOYZFVSA-N 1 2 328.372 1.460 20 30 EDEDLO C=CCN1C(=O)c2ccccc2NC12CC[NH+](CC(=O)OC)CC2 ZINC000414182454 447277720 /nfs/dbraw/zinc/27/77/20/447277720.db2.gz MVMJXENCUFXOGY-UHFFFAOYSA-N 1 2 329.400 1.705 20 30 EDEDLO N#CC1(C[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)CCC1 ZINC000450564023 447528246 /nfs/dbraw/zinc/52/82/46/447528246.db2.gz XTQNYIYWDAATKG-UHFFFAOYSA-N 1 2 337.431 1.474 20 30 EDEDLO C=CCC1(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CCCC1 ZINC000459043346 447549844 /nfs/dbraw/zinc/54/98/44/447549844.db2.gz BJQGJMCDVWQLBM-MRXNPFEDSA-N 1 2 339.480 1.457 20 30 EDEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000450961762 447636477 /nfs/dbraw/zinc/63/64/77/447636477.db2.gz VIUDYMHVNGCFOP-UHFFFAOYSA-N 1 2 327.837 1.732 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459257815 447623637 /nfs/dbraw/zinc/62/36/37/447623637.db2.gz KSQZWMJBYDUFPP-UHFFFAOYSA-N 1 2 346.479 1.804 20 30 EDEDLO N#CCc1ccc(S(=O)(=O)N2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000451210978 447706512 /nfs/dbraw/zinc/70/65/12/447706512.db2.gz HPOKQNYOOQMDRX-UHFFFAOYSA-N 1 2 336.804 1.807 20 30 EDEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)[C@H](C)C1 ZINC000408396992 447657819 /nfs/dbraw/zinc/65/78/19/447657819.db2.gz WDPNRHPWPOMBHH-CABCVRRESA-N 1 2 343.493 1.177 20 30 EDEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)[C@H](C)C1 ZINC000408396992 447657825 /nfs/dbraw/zinc/65/78/25/447657825.db2.gz WDPNRHPWPOMBHH-CABCVRRESA-N 1 2 343.493 1.177 20 30 EDEDLO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000459464891 447675641 /nfs/dbraw/zinc/67/56/41/447675641.db2.gz MSHQXTIPEHADQZ-CJNGLKHVSA-N 1 2 344.415 1.374 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429259247 447737664 /nfs/dbraw/zinc/73/76/64/447737664.db2.gz SVJYOCJTYKIBRR-CYBMUJFWSA-N 1 2 334.395 1.348 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429259247 447737668 /nfs/dbraw/zinc/73/76/68/447737668.db2.gz SVJYOCJTYKIBRR-CYBMUJFWSA-N 1 2 334.395 1.348 20 30 EDEDLO COc1ccc2c(c1)nc(C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)n2C ZINC000471869733 447816045 /nfs/dbraw/zinc/81/60/45/447816045.db2.gz IHUNFKOFECCDLD-GOSISDBHSA-N 1 2 349.394 1.770 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000575838676 447909686 /nfs/dbraw/zinc/90/96/86/447909686.db2.gz TXNSEIPRJQCSLB-GASCZTMLSA-N 1 2 344.415 1.942 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000575838676 447909692 /nfs/dbraw/zinc/90/96/92/447909692.db2.gz TXNSEIPRJQCSLB-GASCZTMLSA-N 1 2 344.415 1.942 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN([C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000491210108 447958776 /nfs/dbraw/zinc/95/87/76/447958776.db2.gz QAVZHEUSZHEBHH-ZDUSSCGKSA-N 1 2 337.826 1.907 20 30 EDEDLO C#CCNS(=O)(=O)c1cccc(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000491014736 447915901 /nfs/dbraw/zinc/91/59/01/447915901.db2.gz RZAUWISQSXUIHW-UHFFFAOYSA-N 1 2 347.396 1.042 20 30 EDEDLO O=C(NCC#Cc1cccc(F)c1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000575888398 447922925 /nfs/dbraw/zinc/92/29/25/447922925.db2.gz KRDZOSMSRFXWID-CALCHBBNSA-N 1 2 331.391 1.340 20 30 EDEDLO O=C(NCC#Cc1cccc(F)c1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000575888398 447922929 /nfs/dbraw/zinc/92/29/29/447922929.db2.gz KRDZOSMSRFXWID-CALCHBBNSA-N 1 2 331.391 1.340 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000569977710 447930512 /nfs/dbraw/zinc/93/05/12/447930512.db2.gz OXFDPXDIOHKFRV-KRWDZBQOSA-N 1 2 349.456 1.900 20 30 EDEDLO C#CCN(C(=O)C(=O)NCCCNc1cccc[nH+]1)C1CCCC1 ZINC000491121624 447930746 /nfs/dbraw/zinc/93/07/46/447930746.db2.gz RLKQKEOGJPLZLV-UHFFFAOYSA-N 1 2 328.416 1.404 20 30 EDEDLO C#C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000491276020 447980069 /nfs/dbraw/zinc/98/00/69/447980069.db2.gz HLUMHPZYXXEBDZ-INIZCTEOSA-N 1 2 331.391 1.664 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)CCC1 ZINC000576182250 447993235 /nfs/dbraw/zinc/99/32/35/447993235.db2.gz ZWZHZBIRQMLYSL-ZDUSSCGKSA-N 1 2 332.379 1.626 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)CCC1 ZINC000576182250 447993241 /nfs/dbraw/zinc/99/32/41/447993241.db2.gz ZWZHZBIRQMLYSL-ZDUSSCGKSA-N 1 2 332.379 1.626 20 30 EDEDLO C#C[C@H](CC)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000491430016 448026466 /nfs/dbraw/zinc/02/64/66/448026466.db2.gz XBATWTKMYKJWIW-OAHLLOKOSA-N 1 2 342.443 1.801 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)CCC1 ZINC000496922641 448039755 /nfs/dbraw/zinc/03/97/55/448039755.db2.gz FGEIKMXYDZVGFN-AWEZNQCLSA-N 1 2 334.420 1.292 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)CCC1 ZINC000496922641 448039761 /nfs/dbraw/zinc/03/97/61/448039761.db2.gz FGEIKMXYDZVGFN-AWEZNQCLSA-N 1 2 334.420 1.292 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(=O)N(c2ccccc2OCC)C1=O ZINC000491485399 448040080 /nfs/dbraw/zinc/04/00/80/448040080.db2.gz OUYPVUSEAIMCGX-LBPRGKRZSA-N 1 2 329.356 1.292 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(=O)N(c2ccccc2OCC)C1=O ZINC000491485399 448040086 /nfs/dbraw/zinc/04/00/86/448040086.db2.gz OUYPVUSEAIMCGX-LBPRGKRZSA-N 1 2 329.356 1.292 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccncc1C#N ZINC000496947786 448062153 /nfs/dbraw/zinc/06/21/53/448062153.db2.gz WKQDIFGAOBLEHB-CQSZACIVSA-N 1 2 331.420 1.338 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1ccncc1C#N ZINC000496947786 448062157 /nfs/dbraw/zinc/06/21/57/448062157.db2.gz WKQDIFGAOBLEHB-CQSZACIVSA-N 1 2 331.420 1.338 20 30 EDEDLO CN(C)C[C@@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000571048862 448099024 /nfs/dbraw/zinc/09/90/24/448099024.db2.gz AQABPLAICNYQEL-MRXNPFEDSA-N 1 2 342.359 1.354 20 30 EDEDLO C#C[C@H](CC)NC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000491747116 448101563 /nfs/dbraw/zinc/10/15/63/448101563.db2.gz CHPGWTZGNPMJEF-HUUCEWRRSA-N 1 2 334.489 1.748 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNc1nc(NCCO)c2ccccc2[nH+]1 ZINC000559592051 448209907 /nfs/dbraw/zinc/20/99/07/448209907.db2.gz NKMFCDAJFFFNPJ-CZUORRHYSA-N 1 2 328.416 1.271 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000562724851 448266862 /nfs/dbraw/zinc/26/68/62/448266862.db2.gz QMGZEEUPMHXLQS-CABCVRRESA-N 1 2 325.453 1.378 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000577408410 448290195 /nfs/dbraw/zinc/29/01/95/448290195.db2.gz WCHUIBFXSHKJGF-UHFFFAOYSA-N 1 2 328.332 1.601 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000516654291 448458160 /nfs/dbraw/zinc/45/81/60/448458160.db2.gz MBRQRYALGPGHSW-APWZRJJASA-N 1 2 342.443 1.499 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(CO)ccc1F ZINC000528403873 448515236 /nfs/dbraw/zinc/51/52/36/448515236.db2.gz LFNDLVCFYSKPFP-ZDUSSCGKSA-N 1 2 341.390 1.690 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(CO)ccc1F ZINC000528403873 448515244 /nfs/dbraw/zinc/51/52/44/448515244.db2.gz LFNDLVCFYSKPFP-ZDUSSCGKSA-N 1 2 341.390 1.690 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)CCCCOc2cccc(C#N)c2)CCO1 ZINC000517669110 448602344 /nfs/dbraw/zinc/60/23/44/448602344.db2.gz VQPJFEVEVUBKGD-MRXNPFEDSA-N 1 2 345.443 1.944 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)CCCCOc2cccc(C#N)c2)CCO1 ZINC000517669110 448602350 /nfs/dbraw/zinc/60/23/50/448602350.db2.gz VQPJFEVEVUBKGD-MRXNPFEDSA-N 1 2 345.443 1.944 20 30 EDEDLO N#CC1CCC(CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000518020515 448640535 /nfs/dbraw/zinc/64/05/35/448640535.db2.gz YLRQTELONIRBJO-UHFFFAOYSA-N 1 2 342.443 1.974 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592055292 448651822 /nfs/dbraw/zinc/65/18/22/448651822.db2.gz LIGXZUXJMYIXOL-MRXNPFEDSA-N 1 2 341.459 1.472 20 30 EDEDLO Cc1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(C)[nH+]1 ZINC000541877355 448698623 /nfs/dbraw/zinc/69/86/23/448698623.db2.gz GYNGGOIBXRXQEF-UHFFFAOYSA-N 1 2 327.392 1.972 20 30 EDEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000573744162 448702334 /nfs/dbraw/zinc/70/23/34/448702334.db2.gz ZKIGWPZJNMAAOJ-UHFFFAOYSA-N 1 2 339.399 1.679 20 30 EDEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000573744162 448702340 /nfs/dbraw/zinc/70/23/40/448702340.db2.gz ZKIGWPZJNMAAOJ-UHFFFAOYSA-N 1 2 339.399 1.679 20 30 EDEDLO Cc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)C2CC2)cc1 ZINC000592147726 448707124 /nfs/dbraw/zinc/70/71/24/448707124.db2.gz RNSQCPSTZDAMTC-RBUKOAKNSA-N 1 2 327.428 1.913 20 30 EDEDLO Cc1ccc([C@H](NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)C2CC2)cc1 ZINC000592147726 448707126 /nfs/dbraw/zinc/70/71/26/448707126.db2.gz RNSQCPSTZDAMTC-RBUKOAKNSA-N 1 2 327.428 1.913 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000592150292 448711401 /nfs/dbraw/zinc/71/14/01/448711401.db2.gz DKGRUMLVVDOPIT-MRXNPFEDSA-N 1 2 328.328 1.316 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000592150292 448711409 /nfs/dbraw/zinc/71/14/09/448711409.db2.gz DKGRUMLVVDOPIT-MRXNPFEDSA-N 1 2 328.328 1.316 20 30 EDEDLO CCC(C#N)(CC)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000529013156 448735876 /nfs/dbraw/zinc/73/58/76/448735876.db2.gz WJVWKLMOUWBHGX-ZDUSSCGKSA-N 1 2 331.420 1.357 20 30 EDEDLO COc1ccccc1N1C(=O)C[C@@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000543718005 448744978 /nfs/dbraw/zinc/74/49/78/448744978.db2.gz QIGLAQAGYZIXOZ-CQSZACIVSA-N 1 2 327.384 1.953 20 30 EDEDLO N#Cc1cc(F)cc(C2(C(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000579801973 448878352 /nfs/dbraw/zinc/87/83/52/448878352.db2.gz OAERNIJCFHLMST-CALCHBBNSA-N 1 2 343.402 1.708 20 30 EDEDLO N#Cc1cc(F)cc(C2(C(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000579801973 448878358 /nfs/dbraw/zinc/87/83/58/448878358.db2.gz OAERNIJCFHLMST-CALCHBBNSA-N 1 2 343.402 1.708 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000568359189 448859331 /nfs/dbraw/zinc/85/93/31/448859331.db2.gz RTKMMCJSZBBROM-CVEARBPZSA-N 1 2 346.431 1.451 20 30 EDEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)nnn1-c1ccccc1Cl ZINC000568634575 448899951 /nfs/dbraw/zinc/89/99/51/448899951.db2.gz ORVDWHAELXIKDZ-MRXNPFEDSA-N 1 2 346.822 1.803 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000574814496 448963636 /nfs/dbraw/zinc/96/36/36/448963636.db2.gz IVYZSFFGLJCANU-UHFFFAOYSA-N 1 2 343.387 1.514 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(CC#N)cc1 ZINC000581188102 448969353 /nfs/dbraw/zinc/96/93/53/448969353.db2.gz KBAQWTRQCQXXBD-OAHLLOKOSA-N 1 2 330.432 1.615 20 30 EDEDLO CC(C)NC(=O)Cc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000581246883 448970141 /nfs/dbraw/zinc/97/01/41/448970141.db2.gz IZJGUAZBWWSDFT-QGZVFWFLSA-N 1 2 332.448 1.372 20 30 EDEDLO CC(C)NC(=O)Cc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000581246883 448970145 /nfs/dbraw/zinc/97/01/45/448970145.db2.gz IZJGUAZBWWSDFT-QGZVFWFLSA-N 1 2 332.448 1.372 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000569463359 449029945 /nfs/dbraw/zinc/02/99/45/449029945.db2.gz GOVHCXVXCYVKPL-GFCCVEGCSA-N 1 2 328.372 1.244 20 30 EDEDLO C[C@H](C#N)N(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000595714662 449128051 /nfs/dbraw/zinc/12/80/51/449128051.db2.gz XUTQYYLCRHFGCV-OAHLLOKOSA-N 1 2 327.432 1.497 20 30 EDEDLO N#Cc1cccnc1-n1cc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cn1 ZINC000593609848 449106838 /nfs/dbraw/zinc/10/68/38/449106838.db2.gz YKDBFDRRYZVMDH-UHFFFAOYSA-N 1 2 347.382 1.853 20 30 EDEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4cn[nH]c4)CC3)n[nH]2)cc1 ZINC000595733179 449136665 /nfs/dbraw/zinc/13/66/65/449136665.db2.gz MVBTYHXYIHURQR-UHFFFAOYSA-N 1 2 333.399 1.994 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(O)(CO)CC1 ZINC000595734334 449136982 /nfs/dbraw/zinc/13/69/82/449136982.db2.gz XAIAFWFKQKDFPS-LLVKDONJSA-N 1 2 337.807 1.358 20 30 EDEDLO N#CCc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)cc1 ZINC000590362496 449137932 /nfs/dbraw/zinc/13/79/32/449137932.db2.gz NGPBAXUGHDSLKK-OAHLLOKOSA-N 1 2 339.399 1.778 20 30 EDEDLO N#CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)cc1 ZINC000590362496 449137935 /nfs/dbraw/zinc/13/79/35/449137935.db2.gz NGPBAXUGHDSLKK-OAHLLOKOSA-N 1 2 339.399 1.778 20 30 EDEDLO C=CCc1cc(C[N@@H+]2C[C@H](C)O[C@H](C(=O)OC)C2)cc(OC)c1O ZINC000593677732 449143522 /nfs/dbraw/zinc/14/35/22/449143522.db2.gz FCCJVZNSJWEIEF-LRDDRELGSA-N 1 2 335.400 1.892 20 30 EDEDLO C=CCc1cc(C[N@H+]2C[C@H](C)O[C@H](C(=O)OC)C2)cc(OC)c1O ZINC000593677732 449143525 /nfs/dbraw/zinc/14/35/25/449143525.db2.gz FCCJVZNSJWEIEF-LRDDRELGSA-N 1 2 335.400 1.892 20 30 EDEDLO CCc1ccc([C@H](C)NC(=O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611174552 449201194 /nfs/dbraw/zinc/20/11/94/449201194.db2.gz HFEVTDJIFDNJSB-INIZCTEOSA-N 1 2 328.460 1.957 20 30 EDEDLO CC(C)n1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000590587746 449203996 /nfs/dbraw/zinc/20/39/96/449203996.db2.gz BKHLOKPKOXKRPU-UHFFFAOYSA-N 1 2 341.415 1.378 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000595865531 449218017 /nfs/dbraw/zinc/21/80/17/449218017.db2.gz ADPGJOQRAVJDSK-ABAIWWIYSA-N 1 2 325.359 1.596 20 30 EDEDLO COC(=O)[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)Cc2ccccc21 ZINC000600215658 449248008 /nfs/dbraw/zinc/24/80/08/449248008.db2.gz RALHGWVUHUFELS-KRWDZBQOSA-N 1 2 347.378 1.873 20 30 EDEDLO COC(=O)[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)Cc2ccccc21 ZINC000600215658 449248016 /nfs/dbraw/zinc/24/80/16/449248016.db2.gz RALHGWVUHUFELS-KRWDZBQOSA-N 1 2 347.378 1.873 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCOc1cccc(F)c1 ZINC000604538555 449248755 /nfs/dbraw/zinc/24/87/55/449248755.db2.gz ZGKSARNOACNDSH-UHFFFAOYSA-N 1 2 349.406 1.669 20 30 EDEDLO COCC1(C2CC2)C[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000601964811 449248837 /nfs/dbraw/zinc/24/88/37/449248837.db2.gz PNIWLCPFOJCZNY-UHFFFAOYSA-N 1 2 335.429 1.085 20 30 EDEDLO C[C@]1(C(F)F)C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000595917108 449251726 /nfs/dbraw/zinc/25/17/26/449251726.db2.gz QPEZUBMSMLVEPI-CZUORRHYSA-N 1 2 326.343 1.654 20 30 EDEDLO C[C@]1(C(F)F)C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000595917108 449251731 /nfs/dbraw/zinc/25/17/31/449251731.db2.gz QPEZUBMSMLVEPI-CZUORRHYSA-N 1 2 326.343 1.654 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2C2(O)CC2)nc1 ZINC000590969139 449363409 /nfs/dbraw/zinc/36/34/09/449363409.db2.gz KFZHLDWELBXYOL-CQSZACIVSA-N 1 2 335.429 1.106 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2C2(O)CC2)nc1 ZINC000590969139 449363412 /nfs/dbraw/zinc/36/34/12/449363412.db2.gz KFZHLDWELBXYOL-CQSZACIVSA-N 1 2 335.429 1.106 20 30 EDEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Br)cc1C#N ZINC000600420095 449366008 /nfs/dbraw/zinc/36/60/08/449366008.db2.gz IUWHEKFELIEBIN-GFCCVEGCSA-N 1 2 338.205 1.381 20 30 EDEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Br)cc1C#N ZINC000600420095 449366012 /nfs/dbraw/zinc/36/60/12/449366012.db2.gz IUWHEKFELIEBIN-GFCCVEGCSA-N 1 2 338.205 1.381 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](OC3CCC3)C2)nc1 ZINC000594027630 449331221 /nfs/dbraw/zinc/33/12/21/449331221.db2.gz XTMCPDVFGICATP-MRXNPFEDSA-N 1 2 349.456 1.760 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](OC3CCC3)C2)nc1 ZINC000594027630 449331230 /nfs/dbraw/zinc/33/12/30/449331230.db2.gz XTMCPDVFGICATP-MRXNPFEDSA-N 1 2 349.456 1.760 20 30 EDEDLO C=CCSCCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000596215246 449420430 /nfs/dbraw/zinc/42/04/30/449420430.db2.gz PYOBYIUMEOQWPK-LBPRGKRZSA-N 1 2 326.466 1.698 20 30 EDEDLO N#Cc1cccc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)n1 ZINC000596515202 449536824 /nfs/dbraw/zinc/53/68/24/449536824.db2.gz LXCNWQNTHHTRIT-LJQANCHMSA-N 1 2 338.411 1.629 20 30 EDEDLO N#Cc1cccc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)n1 ZINC000596515202 449536828 /nfs/dbraw/zinc/53/68/28/449536828.db2.gz LXCNWQNTHHTRIT-LJQANCHMSA-N 1 2 338.411 1.629 20 30 EDEDLO N#Cc1ncccc1NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596515305 449537387 /nfs/dbraw/zinc/53/73/87/449537387.db2.gz MZUOTQPBWGPRRO-IBGZPJMESA-N 1 2 338.411 1.629 20 30 EDEDLO N#Cc1ncccc1NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596515305 449537394 /nfs/dbraw/zinc/53/73/94/449537394.db2.gz MZUOTQPBWGPRRO-IBGZPJMESA-N 1 2 338.411 1.629 20 30 EDEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1-c1cnn(C)c1 ZINC000602333734 449522468 /nfs/dbraw/zinc/52/24/68/449522468.db2.gz OVJCJEPNDORHIL-SFHVURJKSA-N 1 2 325.416 1.969 20 30 EDEDLO C[C@@H](C#N)N(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000602423165 449575546 /nfs/dbraw/zinc/57/55/46/449575546.db2.gz ISVMTZJARGXHEL-ZDUSSCGKSA-N 1 2 325.372 1.896 20 30 EDEDLO Cc1nocc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000602390156 449557895 /nfs/dbraw/zinc/55/78/95/449557895.db2.gz HUQHPOUFXSOTMO-UHFFFAOYSA-N 1 2 339.399 1.882 20 30 EDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000612162728 449594292 /nfs/dbraw/zinc/59/42/92/449594292.db2.gz KGPOECSGDRFHMU-YJBOKZPZSA-N 1 2 342.399 1.490 20 30 EDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000612162728 449594294 /nfs/dbraw/zinc/59/42/94/449594294.db2.gz KGPOECSGDRFHMU-YJBOKZPZSA-N 1 2 342.399 1.490 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000612167741 449595557 /nfs/dbraw/zinc/59/55/57/449595557.db2.gz WGHSEBBRSFHNPM-KBXCAEBGSA-N 1 2 335.448 1.802 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000612167741 449595566 /nfs/dbraw/zinc/59/55/66/449595566.db2.gz WGHSEBBRSFHNPM-KBXCAEBGSA-N 1 2 335.448 1.802 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)ccc2n1C ZINC000612272140 449622933 /nfs/dbraw/zinc/62/29/33/449622933.db2.gz RDPQBWGLNQAMJY-GOSISDBHSA-N 1 2 339.399 1.973 20 30 EDEDLO Cc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)nn1-c1cccc(C#N)c1 ZINC000598946779 449664113 /nfs/dbraw/zinc/66/41/13/449664113.db2.gz IZVJBYSLWNNFBU-OAHLLOKOSA-N 1 2 346.394 1.994 20 30 EDEDLO CCn1cc[nH+]c1CN1CCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601112977 449697186 /nfs/dbraw/zinc/69/71/86/449697186.db2.gz CUSCUCGXNDCRBI-UHFFFAOYSA-N 1 2 337.431 1.764 20 30 EDEDLO COc1cc(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)ccc1C#N ZINC000601124815 449703264 /nfs/dbraw/zinc/70/32/64/449703264.db2.gz KKFGOSVKZWNHEC-AWEZNQCLSA-N 1 2 327.388 1.485 20 30 EDEDLO N#CCC1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000599048093 449710540 /nfs/dbraw/zinc/71/05/40/449710540.db2.gz GNTJOYJLUWNBAW-INIZCTEOSA-N 1 2 343.431 1.275 20 30 EDEDLO N#CCC1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000599048093 449710549 /nfs/dbraw/zinc/71/05/49/449710549.db2.gz GNTJOYJLUWNBAW-INIZCTEOSA-N 1 2 343.431 1.275 20 30 EDEDLO CC(=O)N1CC[NH+](CCNc2ncc(C#N)c3ccsc32)CC1 ZINC000601103539 449690663 /nfs/dbraw/zinc/69/06/63/449690663.db2.gz CWXDPBMVHQXJBN-UHFFFAOYSA-N 1 2 329.429 1.744 20 30 EDEDLO N#Cc1csc(C[N@H+]2CCc3c(cccc3S(N)(=O)=O)C2)c1 ZINC000602750123 449784770 /nfs/dbraw/zinc/78/47/70/449784770.db2.gz CBLHVSWLAJOBBI-UHFFFAOYSA-N 1 2 333.438 1.825 20 30 EDEDLO N#Cc1csc(C[N@@H+]2CCc3c(cccc3S(N)(=O)=O)C2)c1 ZINC000602750123 449784776 /nfs/dbraw/zinc/78/47/76/449784776.db2.gz CBLHVSWLAJOBBI-UHFFFAOYSA-N 1 2 333.438 1.825 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccnn3CC3CC3)CC2)c1C#N ZINC000597108052 449818757 /nfs/dbraw/zinc/81/87/57/449818757.db2.gz PFGGKMICNUYCBE-UHFFFAOYSA-N 1 2 339.447 1.529 20 30 EDEDLO C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CC3(CC#N)CC3)CC2)C1 ZINC000602765092 449791538 /nfs/dbraw/zinc/79/15/38/449791538.db2.gz BTLJFBVZQDUDJS-IRXDYDNUSA-N 1 2 332.492 1.802 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H](C)N1CC#N ZINC000602855352 449861951 /nfs/dbraw/zinc/86/19/51/449861951.db2.gz HAAZHDIHYXZTOU-IYBDPMFKSA-N 1 2 331.464 1.589 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H](C)N1CC#N ZINC000602855352 449861958 /nfs/dbraw/zinc/86/19/58/449861958.db2.gz HAAZHDIHYXZTOU-IYBDPMFKSA-N 1 2 331.464 1.589 20 30 EDEDLO C[C@H]1C[NH+](Cc2csc(CC(=O)N(C)C)n2)C[C@H](C)N1CC#N ZINC000602856734 449864595 /nfs/dbraw/zinc/86/45/95/449864595.db2.gz NDFQBLDUKZIJGT-STQMWFEESA-N 1 2 335.477 1.192 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(F)cc2)C[C@H](C)N1CC#N ZINC000602857059 449865694 /nfs/dbraw/zinc/86/56/94/449865694.db2.gz OJJAFDCRYDPCBK-GASCZTMLSA-N 1 2 332.423 1.702 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(F)cc2)C[C@H](C)N1CC#N ZINC000602857059 449865702 /nfs/dbraw/zinc/86/57/02/449865702.db2.gz OJJAFDCRYDPCBK-GASCZTMLSA-N 1 2 332.423 1.702 20 30 EDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NCc1ccccc1CN1CCCC1=O ZINC000602862025 449872256 /nfs/dbraw/zinc/87/22/56/449872256.db2.gz KJIXSBBDAXEZIN-AWEZNQCLSA-N 1 2 328.416 1.317 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH2+][C@H](C)CC#N ZINC000602867479 449878401 /nfs/dbraw/zinc/87/84/01/449878401.db2.gz CMLIJQAYSVRXFR-CYBMUJFWSA-N 1 2 325.416 1.997 20 30 EDEDLO N#CCC[N@H+](Cc1ccccn1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599308662 449880409 /nfs/dbraw/zinc/88/04/09/449880409.db2.gz UYRSHRMFXXPWKO-KRWDZBQOSA-N 1 2 328.416 1.869 20 30 EDEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599308662 449880414 /nfs/dbraw/zinc/88/04/14/449880414.db2.gz UYRSHRMFXXPWKO-KRWDZBQOSA-N 1 2 328.416 1.869 20 30 EDEDLO C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)[C@H](c2ccccc2)C1 ZINC000595124477 449884587 /nfs/dbraw/zinc/88/45/87/449884587.db2.gz JTUMTINDADSFGK-LPHOPBHVSA-N 1 2 340.427 1.264 20 30 EDEDLO C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)[C@H](c2ccccc2)C1 ZINC000595124477 449884594 /nfs/dbraw/zinc/88/45/94/449884594.db2.gz JTUMTINDADSFGK-LPHOPBHVSA-N 1 2 340.427 1.264 20 30 EDEDLO CC(C)CN1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)[C@@H](C)C1=O ZINC000599379854 449930542 /nfs/dbraw/zinc/93/05/42/449930542.db2.gz VESDXOBIYXFAHG-HOTGVXAUSA-N 1 2 337.464 1.246 20 30 EDEDLO CC(C)CN1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)[C@@H](C)C1=O ZINC000599379854 449930549 /nfs/dbraw/zinc/93/05/49/449930549.db2.gz VESDXOBIYXFAHG-HOTGVXAUSA-N 1 2 337.464 1.246 20 30 EDEDLO N#CCN1CCC(Nc2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000617950168 449945719 /nfs/dbraw/zinc/94/57/19/449945719.db2.gz HOXUDUIZYHOQAV-HNNXBMFYSA-N 1 2 330.436 1.228 20 30 EDEDLO N#CCN1CCC(Nc2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000617950168 449945727 /nfs/dbraw/zinc/94/57/27/449945727.db2.gz HOXUDUIZYHOQAV-HNNXBMFYSA-N 1 2 330.436 1.228 20 30 EDEDLO Cc1csc(CC2(O)CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)n1 ZINC000602894212 449902375 /nfs/dbraw/zinc/90/23/75/449902375.db2.gz WWUWAKWVWCSVCJ-UHFFFAOYSA-N 1 2 348.472 1.383 20 30 EDEDLO CC1(C)[C@@H](NS(=O)(=O)CCCCC#N)C[C@@H]1[NH+]1CCOCC1 ZINC000601451827 449975049 /nfs/dbraw/zinc/97/50/49/449975049.db2.gz AWVNMWRJCMUVFH-KBPBESRZSA-N 1 2 329.466 1.099 20 30 EDEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)nc1 ZINC000599443787 449979763 /nfs/dbraw/zinc/97/97/63/449979763.db2.gz LZGWPODFYRRQFZ-KRWDZBQOSA-N 1 2 330.388 1.108 20 30 EDEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)nc1 ZINC000599443787 449979769 /nfs/dbraw/zinc/97/97/69/449979769.db2.gz LZGWPODFYRRQFZ-KRWDZBQOSA-N 1 2 330.388 1.108 20 30 EDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@H](CC(F)(F)F)C2)CCOCC1 ZINC000599476982 450006289 /nfs/dbraw/zinc/00/62/89/450006289.db2.gz ANQMQYCUZNCXLB-QWHCGFSZSA-N 1 2 336.354 1.711 20 30 EDEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@H](CC(F)(F)F)C2)CCOCC1 ZINC000599476982 450006293 /nfs/dbraw/zinc/00/62/93/450006293.db2.gz ANQMQYCUZNCXLB-QWHCGFSZSA-N 1 2 336.354 1.711 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000613163231 450058772 /nfs/dbraw/zinc/05/87/72/450058772.db2.gz OCLXRZZMXAHSPI-BZUAXINKSA-N 1 2 347.463 1.017 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000599670258 450141957 /nfs/dbraw/zinc/14/19/57/450141957.db2.gz HPMUOMLZVUZRCL-VQIMIIECSA-N 1 2 343.427 1.813 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000599670258 450141963 /nfs/dbraw/zinc/14/19/63/450141963.db2.gz HPMUOMLZVUZRCL-VQIMIIECSA-N 1 2 343.427 1.813 20 30 EDEDLO N#Cc1cscc1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000597620820 450151359 /nfs/dbraw/zinc/15/13/59/450151359.db2.gz CEGPNHHFBZCSCF-UHFFFAOYSA-N 1 2 331.401 1.919 20 30 EDEDLO CCN(C(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1)[C@@H](C)C#N ZINC000601671283 450157776 /nfs/dbraw/zinc/15/77/76/450157776.db2.gz RWLSGFJAJFXKJL-AWEZNQCLSA-N 1 2 348.422 1.944 20 30 EDEDLO COC1CC[NH+](Cc2cn(Cc3ccc(F)c(C#N)c3)nn2)CC1 ZINC000603201737 450137661 /nfs/dbraw/zinc/13/76/61/450137661.db2.gz SMWUGNDZNLHQOZ-UHFFFAOYSA-N 1 2 329.379 1.948 20 30 EDEDLO C=C[C@@H](C(=O)OC)n1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000619689185 450308516 /nfs/dbraw/zinc/30/85/16/450308516.db2.gz RIAQMBMXNRGMCL-LSDHHAIUSA-N 1 2 343.387 1.147 20 30 EDEDLO C=C[C@@H](C(=O)OC)n1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000619689185 450308523 /nfs/dbraw/zinc/30/85/23/450308523.db2.gz RIAQMBMXNRGMCL-LSDHHAIUSA-N 1 2 343.387 1.147 20 30 EDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000619718507 450318421 /nfs/dbraw/zinc/31/84/21/450318421.db2.gz PFYPSBXPCMHNCI-NWDGAFQWSA-N 1 2 336.354 1.837 20 30 EDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000619718507 450318423 /nfs/dbraw/zinc/31/84/23/450318423.db2.gz PFYPSBXPCMHNCI-NWDGAFQWSA-N 1 2 336.354 1.837 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000619719365 450319002 /nfs/dbraw/zinc/31/90/02/450319002.db2.gz VDOUGUXWQVMVQD-BZUAXINKSA-N 1 2 337.464 1.027 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000619033181 450385499 /nfs/dbraw/zinc/38/54/99/450385499.db2.gz BDVOQZIXMOXWBP-HUUCEWRRSA-N 1 2 330.432 1.981 20 30 EDEDLO CN(C)C(=O)C[NH+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000619424616 450471190 /nfs/dbraw/zinc/47/11/90/450471190.db2.gz WYTLYPXDSDCIEC-QGZVFWFLSA-N 1 2 342.443 1.306 20 30 EDEDLO C=CCNc1ncc(C(=O)NCC2CC[NH+](CC(F)F)CC2)s1 ZINC000622057338 451014023 /nfs/dbraw/zinc/01/40/23/451014023.db2.gz ZGDRAMNEUHKSFZ-UHFFFAOYSA-N 1 2 344.431 2.448 20 30 EDEDLO C=CC[C@H]1N(S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)CCCC1(C)C ZINC000632282254 451169023 /nfs/dbraw/zinc/16/90/23/451169023.db2.gz WYAHEGNHJXWYBE-LSDHHAIUSA-N 1 2 330.494 1.714 20 30 EDEDLO C=CC[C@H]1N(S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)CCCC1(C)C ZINC000632282254 451169025 /nfs/dbraw/zinc/16/90/25/451169025.db2.gz WYAHEGNHJXWYBE-LSDHHAIUSA-N 1 2 330.494 1.714 20 30 EDEDLO C=CC[C@H](Cc1ccccc1)NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000632459514 451308475 /nfs/dbraw/zinc/30/84/75/451308475.db2.gz KWIZZMZFZKAVDX-SJORKVTESA-N 1 2 338.473 1.424 20 30 EDEDLO C=CC[C@H](Cc1ccccc1)NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000632459514 451308480 /nfs/dbraw/zinc/30/84/80/451308480.db2.gz KWIZZMZFZKAVDX-SJORKVTESA-N 1 2 338.473 1.424 20 30 EDEDLO C=C(C)C[C@H]1NC(=O)N(C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000630964970 451511040 /nfs/dbraw/zinc/51/10/40/451511040.db2.gz LXUJXUBNBMDYNI-IAGOWNOFSA-N 1 2 343.427 1.774 20 30 EDEDLO C=C(C)C[C@H]1NC(=O)N(C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000630964970 451511045 /nfs/dbraw/zinc/51/10/45/451511045.db2.gz LXUJXUBNBMDYNI-IAGOWNOFSA-N 1 2 343.427 1.774 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(OC(F)F)cc2)nn1 ZINC000640789048 451583162 /nfs/dbraw/zinc/58/31/62/451583162.db2.gz LOALNVAVORZMCS-UHFFFAOYSA-N 1 2 349.341 1.631 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccnn2C(C)C)nn1 ZINC000640847745 451634403 /nfs/dbraw/zinc/63/44/03/451634403.db2.gz LISVQOAPROVKBL-ZDUSSCGKSA-N 1 2 329.408 1.368 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(CC(C)C)CC(F)(F)F)nn1 ZINC000640984623 451721585 /nfs/dbraw/zinc/72/15/85/451721585.db2.gz SIBAVZOHVGDSOF-UHFFFAOYSA-N 1 2 345.369 1.438 20 30 EDEDLO C=CCCn1cc(C[NH+]2CCC(C(=O)NCCCOC)CC2)nn1 ZINC000653503800 451986979 /nfs/dbraw/zinc/98/69/79/451986979.db2.gz WGOBTIGQZSHZMB-UHFFFAOYSA-N 1 2 335.452 1.219 20 30 EDEDLO C=C(C)[C@H](CO)[N@@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000649343416 452024172 /nfs/dbraw/zinc/02/41/72/452024172.db2.gz PTVBHUOWWDDBMH-HNNXBMFYSA-N 1 2 333.392 1.048 20 30 EDEDLO C=C(C)[C@H](CO)[N@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000649343416 452024177 /nfs/dbraw/zinc/02/41/77/452024177.db2.gz PTVBHUOWWDDBMH-HNNXBMFYSA-N 1 2 333.392 1.048 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)nn1 ZINC000653704273 452084719 /nfs/dbraw/zinc/08/47/19/452084719.db2.gz DOBMTAYHEAGEMQ-GOSISDBHSA-N 1 2 339.443 1.787 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)nn1 ZINC000653704273 452084725 /nfs/dbraw/zinc/08/47/25/452084725.db2.gz DOBMTAYHEAGEMQ-GOSISDBHSA-N 1 2 339.443 1.787 20 30 EDEDLO C=CCOCCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000660269508 453163114 /nfs/dbraw/zinc/16/31/14/453163114.db2.gz FMZYOKPIWLSRBD-GOSISDBHSA-N 1 2 347.459 1.952 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660633728 453474780 /nfs/dbraw/zinc/47/47/80/453474780.db2.gz BWVHKRSVNWCMRY-KRWDZBQOSA-N 1 2 345.443 1.868 20 30 EDEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000665390886 453678157 /nfs/dbraw/zinc/67/81/57/453678157.db2.gz RRPVPNUUDAQZAS-DLBZAZTESA-N 1 2 339.480 1.457 20 30 EDEDLO COCC#CC[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000677818757 487174431 /nfs/dbraw/zinc/17/44/31/487174431.db2.gz VLVWXNZSZLJYCM-UHFFFAOYSA-N 1 2 332.835 1.755 20 30 EDEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 ZINC000678049023 487234522 /nfs/dbraw/zinc/23/45/22/487234522.db2.gz AXZNLCGKULHENO-WMZOPIPTSA-N 1 2 332.444 1.844 20 30 EDEDLO C=CCOCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000679503583 487433054 /nfs/dbraw/zinc/43/30/54/487433054.db2.gz FYHSXBJKGAIDQW-GOSISDBHSA-N 1 2 347.459 1.870 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000668422278 485731120 /nfs/dbraw/zinc/73/11/20/485731120.db2.gz WXLISMOIWKOXKB-OAHLLOKOSA-N 1 2 340.427 1.808 20 30 EDEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000668505280 485817668 /nfs/dbraw/zinc/81/76/68/485817668.db2.gz ZZHYJKLRZRPLNA-ARFHVFGLSA-N 1 2 337.464 1.074 20 30 EDEDLO N#CC1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCOCC1 ZINC000109138570 534544384 /nfs/dbraw/zinc/54/43/84/534544384.db2.gz WQUBEVOMHOUSNS-UHFFFAOYSA-N 1 2 343.427 1.455 20 30 EDEDLO COc1cc(C(N)=[NH+]OCc2nc(C)no2)cc(Cl)c1OC ZINC000266311392 536872268 /nfs/dbraw/zinc/87/22/68/536872268.db2.gz PQLQHAQOOFEWSZ-UHFFFAOYSA-N 1 2 326.740 1.886 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](C)c3cnn(C)c3)C2)CC1 ZINC000329805953 546509529 /nfs/dbraw/zinc/50/95/29/546509529.db2.gz NMGVGTZNORHZNF-GOEBONIOSA-N 1 2 334.468 1.107 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1 ZINC000742208919 579440830 /nfs/dbraw/zinc/44/08/30/579440830.db2.gz BOXLGJWFMAEORK-KBPBESRZSA-N 1 2 345.447 1.100 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2nc(C(C)(C)C)n[nH]2)C1 ZINC000742208919 579440831 /nfs/dbraw/zinc/44/08/31/579440831.db2.gz BOXLGJWFMAEORK-KBPBESRZSA-N 1 2 345.447 1.100 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000742208919 579440832 /nfs/dbraw/zinc/44/08/32/579440832.db2.gz BOXLGJWFMAEORK-KBPBESRZSA-N 1 2 345.447 1.100 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2nnc(C(C)(C)C)[nH]2)C1 ZINC000742208919 579440833 /nfs/dbraw/zinc/44/08/33/579440833.db2.gz BOXLGJWFMAEORK-KBPBESRZSA-N 1 2 345.447 1.100 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2n[nH]c(C(C)(C)C)n2)C1 ZINC000742208919 579440834 /nfs/dbraw/zinc/44/08/34/579440834.db2.gz BOXLGJWFMAEORK-KBPBESRZSA-N 1 2 345.447 1.100 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2n[nH]c(C(C)(C)C)n2)C1 ZINC000742208919 579440835 /nfs/dbraw/zinc/44/08/35/579440835.db2.gz BOXLGJWFMAEORK-KBPBESRZSA-N 1 2 345.447 1.100 20 30 EDEDLO C#Cc1cccc(NC(=S)NCC[NH+]2CCN(C(C)=O)CC2)c1 ZINC000726465983 578345856 /nfs/dbraw/zinc/34/58/56/578345856.db2.gz OXYLZRSLVXHIHY-UHFFFAOYSA-N 1 2 330.457 1.118 20 30 EDEDLO CC(=NNC(=S)NCCC[NH+](C)C)c1ccc(O)c([N+](=O)[O-])c1 ZINC000749607895 578510849 /nfs/dbraw/zinc/51/08/49/578510849.db2.gz DNSIBVCKKYPGGN-UHFFFAOYSA-N 1 2 339.421 1.440 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000730282406 578639179 /nfs/dbraw/zinc/63/91/79/578639179.db2.gz KQWZQOXYVVJUTK-HNNXBMFYSA-N 1 2 335.354 1.459 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000730282406 578639180 /nfs/dbraw/zinc/63/91/80/578639180.db2.gz KQWZQOXYVVJUTK-HNNXBMFYSA-N 1 2 335.354 1.459 20 30 EDEDLO C=CCNC(=O)NC(=O)COC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000731906770 578682753 /nfs/dbraw/zinc/68/27/53/578682753.db2.gz AKKLOCJEBOJVHM-INIZCTEOSA-N 1 2 347.415 1.625 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)cn1 ZINC000732125767 578692588 /nfs/dbraw/zinc/69/25/88/578692588.db2.gz VWQIERJHCACTIZ-UHFFFAOYSA-N 1 2 326.425 1.786 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000761022607 580044767 /nfs/dbraw/zinc/04/47/67/580044767.db2.gz ATWJIVBYMDJVLW-UHFFFAOYSA-N 1 2 349.500 1.569 20 30 EDEDLO Cc1ccc(S(=O)(=O)NN=C2C[C@H](C)[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000761795348 580061921 /nfs/dbraw/zinc/06/19/21/580061921.db2.gz ZGZIGNCDZAJVFQ-JTQLQIEISA-N 1 2 326.378 1.262 20 30 EDEDLO Cc1ccc(S(=O)(=O)NN=C2C[C@H](C)[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000761795348 580061922 /nfs/dbraw/zinc/06/19/22/580061922.db2.gz ZGZIGNCDZAJVFQ-JTQLQIEISA-N 1 2 326.378 1.262 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NN=Cc3cc[nH]c3)cc2)CC1 ZINC000745205491 579541723 /nfs/dbraw/zinc/54/17/23/579541723.db2.gz ZWZXWNSYOCHPOD-UHFFFAOYSA-N 1 2 347.444 1.397 20 30 EDEDLO CNc1[nH+]c(C)ccc1C(=O)OCC(=O)NCc1ccc(C#N)cc1 ZINC000746573705 579601457 /nfs/dbraw/zinc/60/14/57/579601457.db2.gz NIVAFDQODSUNIU-UHFFFAOYSA-N 1 2 338.367 1.777 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000750826729 579782795 /nfs/dbraw/zinc/78/27/95/579782795.db2.gz BXHHXKRAOXBGFK-UHFFFAOYSA-N 1 2 330.432 1.209 20 30 EDEDLO CCOc1ccc(C=[NH+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(O)c1 ZINC000751891218 579826399 /nfs/dbraw/zinc/82/63/99/579826399.db2.gz XAUJXLABWPMVLH-ZOBRYJGNSA-N 1 2 345.399 1.930 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc3cccc(OC)c3o2)CC1 ZINC000754822500 579913679 /nfs/dbraw/zinc/91/36/79/579913679.db2.gz IVQYDRDGDJGMPK-UHFFFAOYSA-N 1 2 343.427 1.861 20 30 EDEDLO C[C@H](CC=NNC(=S)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000755498334 579928135 /nfs/dbraw/zinc/92/81/35/579928135.db2.gz HRXAOAWUDHAFPH-OAHLLOKOSA-N 1 2 334.489 1.962 20 30 EDEDLO N#Cc1cccn(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1=O ZINC000758178679 579976294 /nfs/dbraw/zinc/97/62/94/579976294.db2.gz OBIBIQOUPCLWIY-UHFFFAOYSA-N 1 2 334.383 1.600 20 30 EDEDLO CCCCCCCC[NH+]1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000766245681 580162622 /nfs/dbraw/zinc/16/26/22/580162622.db2.gz FKVXVQTZUMLYMV-HOTGVXAUSA-N 1 2 332.510 1.122 20 30 EDEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766897100 580176477 /nfs/dbraw/zinc/17/64/77/580176477.db2.gz ZDYCEXYAVLLAAY-UHFFFAOYSA-N 1 2 337.401 1.315 20 30 EDEDLO Cc1ccn(CN2CC[NH+]([C@H](C)c3nccs3)CC2)c(=O)c1C#N ZINC000767482051 580190880 /nfs/dbraw/zinc/19/08/80/580190880.db2.gz KSFMPFYGENOOOT-CQSZACIVSA-N 1 2 343.456 1.821 20 30 EDEDLO CCOCC[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000772387434 580308961 /nfs/dbraw/zinc/30/89/61/580308961.db2.gz IYKIXOWPBLAONV-CYBMUJFWSA-N 1 2 328.372 1.480 20 30 EDEDLO CCOCC[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000772387434 580308962 /nfs/dbraw/zinc/30/89/62/580308962.db2.gz IYKIXOWPBLAONV-CYBMUJFWSA-N 1 2 328.372 1.480 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CCCO1 ZINC000773271921 580332281 /nfs/dbraw/zinc/33/22/81/580332281.db2.gz FMXHDLQDPAMSBS-MNOVXSKESA-N 1 2 330.310 1.425 20 30 EDEDLO C#C[C@H]([NH2+]CC(=O)Nc1nnc(-c2sccc2C)o1)[C@H]1CCCO1 ZINC000775789002 580400505 /nfs/dbraw/zinc/40/05/05/580400505.db2.gz AEBJSVXLXXGOSE-NWDGAFQWSA-N 1 2 346.412 1.815 20 30 EDEDLO CC(C)COC[C@H](O)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000779392375 580484824 /nfs/dbraw/zinc/48/48/24/580484824.db2.gz MNHVFGVQCIHCIM-KFWWJZLASA-N 1 2 341.452 1.369 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000779881175 580500827 /nfs/dbraw/zinc/50/08/27/580500827.db2.gz IIJZDRJXSHRRTE-UHFFFAOYSA-N 1 2 337.832 1.541 20 30 EDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000780679366 580531118 /nfs/dbraw/zinc/53/11/18/580531118.db2.gz AXFBDVKGJRNNNN-KGLIPLIRSA-N 1 2 332.404 1.820 20 30 EDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000780679366 580531119 /nfs/dbraw/zinc/53/11/19/580531119.db2.gz AXFBDVKGJRNNNN-KGLIPLIRSA-N 1 2 332.404 1.820 20 30 EDEDLO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000780866037 580535582 /nfs/dbraw/zinc/53/55/82/580535582.db2.gz OXQQGTBDEZJQNW-SNVBAGLBSA-N 1 2 329.372 1.599 20 30 EDEDLO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000780866037 580535583 /nfs/dbraw/zinc/53/55/83/580535583.db2.gz OXQQGTBDEZJQNW-SNVBAGLBSA-N 1 2 329.372 1.599 20 30 EDEDLO N#Cc1ccc([C@@H](O)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000780914961 580537333 /nfs/dbraw/zinc/53/73/33/580537333.db2.gz ICYMOGYNORHAGY-QGZVFWFLSA-N 1 2 333.351 1.489 20 30 EDEDLO Cc1cccn2cc(CCNC(=O)[C@@H](O)c3ccc(C#N)cc3)[nH+]c12 ZINC000780955233 580538694 /nfs/dbraw/zinc/53/86/94/580538694.db2.gz LSUCGVHSDJPVGQ-KRWDZBQOSA-N 1 2 334.379 1.907 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000782302303 580571395 /nfs/dbraw/zinc/57/13/95/580571395.db2.gz LMHHMNAJVYEBRH-CXAGYDPISA-N 1 2 340.420 1.512 20 30 EDEDLO COCCC[N@H+](CCO)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000782579433 580578390 /nfs/dbraw/zinc/57/83/90/580578390.db2.gz OYSIBNJFULJCCW-ZDUSSCGKSA-N 1 2 347.440 1.803 20 30 EDEDLO COCCC[N@@H+](CCO)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000782579433 580578391 /nfs/dbraw/zinc/57/83/91/580578391.db2.gz OYSIBNJFULJCCW-ZDUSSCGKSA-N 1 2 347.440 1.803 20 30 EDEDLO COCCN(CCC#N)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000788483246 580722609 /nfs/dbraw/zinc/72/26/09/580722609.db2.gz VJLOHJDQJKGDRC-UHFFFAOYSA-N 1 2 340.468 1.401 20 30 EDEDLO Nc1nc(Cl)c(C=[NH+]NCCc2ccncc2)c(N2CCCC2)n1 ZINC000789096332 580736453 /nfs/dbraw/zinc/73/64/53/580736453.db2.gz APFNMJBIOLRYLZ-UHFFFAOYSA-N 1 2 345.838 1.874 20 30 EDEDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793512021 580846546 /nfs/dbraw/zinc/84/65/46/580846546.db2.gz ORDVKKDECFFDAL-AWEZNQCLSA-N 1 2 329.400 1.584 20 30 EDEDLO COC(=O)C[C@@H]1CCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793512021 580846547 /nfs/dbraw/zinc/84/65/47/580846547.db2.gz ORDVKKDECFFDAL-AWEZNQCLSA-N 1 2 329.400 1.584 20 30 EDEDLO C[C@H](C#N)OCCS[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000793963930 580862469 /nfs/dbraw/zinc/86/24/69/580862469.db2.gz CVCXGZGADKZAMB-HUUCEWRRSA-N 1 2 348.472 1.781 20 30 EDEDLO C#CCNC(=O)[C@H](C)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796003027 580943196 /nfs/dbraw/zinc/94/31/96/580943196.db2.gz LDFRKOVPXWTLOQ-VIFPVBQESA-N 1 2 335.310 1.304 20 30 EDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC000796632441 580958487 /nfs/dbraw/zinc/95/84/87/580958487.db2.gz SAHASORTLSJZHQ-NSHDSACASA-N 1 2 346.337 1.954 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000797860027 580982407 /nfs/dbraw/zinc/98/24/07/580982407.db2.gz CBWYHQHIEJZIMR-AWEZNQCLSA-N 1 2 341.402 1.096 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC000797860027 580982408 /nfs/dbraw/zinc/98/24/08/580982408.db2.gz CBWYHQHIEJZIMR-AWEZNQCLSA-N 1 2 341.402 1.096 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000798354894 580995144 /nfs/dbraw/zinc/99/51/44/580995144.db2.gz QATFKKZFLQAADF-HZPDHXFCSA-N 1 2 326.400 1.583 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000798361024 580995348 /nfs/dbraw/zinc/99/53/48/580995348.db2.gz ZZJLLYUHYCBECJ-INIZCTEOSA-N 1 2 330.432 1.645 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000800021232 581040892 /nfs/dbraw/zinc/04/08/92/581040892.db2.gz IWQZGQIQADFBHT-CYBMUJFWSA-N 1 2 333.417 1.298 20 30 EDEDLO CC(=O)N(C)C1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000328659458 590761760 /nfs/dbraw/zinc/76/17/60/590761760.db2.gz SUMYUDDAGLFYHG-HNNXBMFYSA-N 1 2 347.463 1.926 20 30 EDEDLO C=CCOc1ccc(CC(=O)O[C@@H]2C[N@H+](C)[C@@](C)(C(=O)OC)C2)cc1 ZINC000893581282 590986022 /nfs/dbraw/zinc/98/60/22/590986022.db2.gz XASCYSREHPWAPL-QFBILLFUSA-N 1 2 347.411 1.973 20 30 EDEDLO C=CCOc1ccc(CC(=O)O[C@@H]2C[N@@H+](C)[C@@](C)(C(=O)OC)C2)cc1 ZINC000893581282 590986024 /nfs/dbraw/zinc/98/60/24/590986024.db2.gz XASCYSREHPWAPL-QFBILLFUSA-N 1 2 347.411 1.973 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2C[C@H](C)Oc3ccccc32)C1 ZINC000891607811 591145802 /nfs/dbraw/zinc/14/58/02/591145802.db2.gz VXRMCJZDHCTOTQ-LSDHHAIUSA-N 1 2 341.411 1.014 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2C[C@H](C)Oc3ccccc32)C1 ZINC000891607811 591145805 /nfs/dbraw/zinc/14/58/05/591145805.db2.gz VXRMCJZDHCTOTQ-LSDHHAIUSA-N 1 2 341.411 1.014 20 30 EDEDLO C=CC[N@@H+](Cc1cc(C)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000893968173 591150507 /nfs/dbraw/zinc/15/05/07/591150507.db2.gz DIXWCHKVLNAVLI-CQSZACIVSA-N 1 2 325.430 1.884 20 30 EDEDLO C=CC[N@H+](Cc1cc(C)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000893968173 591150509 /nfs/dbraw/zinc/15/05/09/591150509.db2.gz DIXWCHKVLNAVLI-CQSZACIVSA-N 1 2 325.430 1.884 20 30 EDEDLO C=CC[N@H+]([C@@H]1CCS(=O)(=O)C1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891769420 591218342 /nfs/dbraw/zinc/21/83/42/591218342.db2.gz LBDDTDOTZXHQFA-MCIONIFRSA-N 1 2 333.425 1.295 20 30 EDEDLO C=CC[N@@H+]([C@@H]1CCS(=O)(=O)C1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891769420 591218343 /nfs/dbraw/zinc/21/83/43/591218343.db2.gz LBDDTDOTZXHQFA-MCIONIFRSA-N 1 2 333.425 1.295 20 30 EDEDLO CC(C)(C)OC(=O)N1CCOC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000897628722 591596085 /nfs/dbraw/zinc/59/60/85/591596085.db2.gz AMMMXDDNOZSLPV-LBPRGKRZSA-N 1 2 338.433 1.740 20 30 EDEDLO Cc1nnc(CN2CC[NH+](Cc3cc(C#N)ccc3N(C)C)CC2)[nH]1 ZINC000895263448 591687249 /nfs/dbraw/zinc/68/72/49/591687249.db2.gz UIHXFPIIPAYCOL-UHFFFAOYSA-N 1 2 339.447 1.369 20 30 EDEDLO C#CCSCC(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@@H]2C1 ZINC000899164567 591712530 /nfs/dbraw/zinc/71/25/30/591712530.db2.gz PLBAIYXWFPXBMS-HUUCEWRRSA-N 1 2 331.441 1.384 20 30 EDEDLO Cc1cc(C#N)cc(C)c1C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000895339350 591717750 /nfs/dbraw/zinc/71/77/50/591717750.db2.gz MFNUCFGFHZTTRP-QHCPKHFHSA-N 1 2 333.457 1.311 20 30 EDEDLO N#C[C@]12CN(Cc3cc(-n4cc[nH+]c4)cs3)C[C@H]1CS(=O)(=O)C2 ZINC000897060460 591728305 /nfs/dbraw/zinc/72/83/05/591728305.db2.gz LLIYMDNRNFVFKT-SWLSCSKDSA-N 1 2 348.453 1.304 20 30 EDEDLO CC(=O)c1cn(C2C[NH+](Cc3ccc(N(C)CCC#N)cc3)C2)nn1 ZINC000897935808 591728806 /nfs/dbraw/zinc/72/88/06/591728806.db2.gz HVJMGXGNIHIMDH-UHFFFAOYSA-N 1 2 338.415 1.887 20 30 EDEDLO C=C(C)CNC(=S)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000728794034 591823650 /nfs/dbraw/zinc/82/36/50/591823650.db2.gz ZFQVTTLYYVVPCF-AWEZNQCLSA-N 1 2 338.521 1.502 20 30 EDEDLO CN(CC#N)C(=O)c1ccc(NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000900450546 592021354 /nfs/dbraw/zinc/02/13/54/592021354.db2.gz AHLNLWHNZAQQJF-UHFFFAOYSA-N 1 2 336.823 1.680 20 30 EDEDLO NC(=[NH+]OCCO[C@@H]1CCOC1)c1ccc(Br)cc1 ZINC000902726908 592053202 /nfs/dbraw/zinc/05/32/02/592053202.db2.gz JLTJKLAGQJSVMM-GFCCVEGCSA-N 1 2 329.194 1.892 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)S1 ZINC000900843336 592144609 /nfs/dbraw/zinc/14/46/09/592144609.db2.gz NKXRMVPVZHMYQX-CQSZACIVSA-N 1 2 343.452 1.280 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(-c3c[nH]c4ccccc34)n[nH]2)CC1 ZINC000906674820 592255592 /nfs/dbraw/zinc/25/55/92/592255592.db2.gz KOFJJYCIHLMCNP-UHFFFAOYSA-N 1 2 333.395 1.949 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000908120743 592333557 /nfs/dbraw/zinc/33/35/57/592333557.db2.gz WCGJSTLHNIMZQZ-YCPHGPKFSA-N 1 2 334.420 1.379 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000908120743 592333561 /nfs/dbraw/zinc/33/35/61/592333561.db2.gz WCGJSTLHNIMZQZ-YCPHGPKFSA-N 1 2 334.420 1.379 20 30 EDEDLO COC(=O)C1C/C(=C/c2cncn2C)C(=O)/C(=C\c2c[nH+]cn2C)C1 ZINC000901500294 592376488 /nfs/dbraw/zinc/37/64/88/592376488.db2.gz QEPGLZOAPJXQCM-QXFGSWAMSA-N 1 2 340.383 1.773 20 30 EDEDLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3ccsc3C#N)C[C@@H]2C)CC1 ZINC000906934774 592416654 /nfs/dbraw/zinc/41/66/54/592416654.db2.gz TXEJPNHPHXMFNQ-SWLSCSKDSA-N 1 2 346.456 1.244 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000907142176 592528673 /nfs/dbraw/zinc/52/86/73/592528673.db2.gz VAPIQSJZOCIGES-AWEZNQCLSA-N 1 2 336.457 1.134 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000907142176 592528676 /nfs/dbraw/zinc/52/86/76/592528676.db2.gz VAPIQSJZOCIGES-AWEZNQCLSA-N 1 2 336.457 1.134 20 30 EDEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC000908695576 592574447 /nfs/dbraw/zinc/57/44/47/592574447.db2.gz QQACSMOZKXYYOX-KBXIAJHMSA-N 1 2 349.504 1.655 20 30 EDEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC000908695576 592574450 /nfs/dbraw/zinc/57/44/50/592574450.db2.gz QQACSMOZKXYYOX-KBXIAJHMSA-N 1 2 349.504 1.655 20 30 EDEDLO Cc1nc([C@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)no1 ZINC000905680749 592610831 /nfs/dbraw/zinc/61/08/31/592610831.db2.gz AACORWJDFQJNLU-ZDUSSCGKSA-N 1 2 325.372 1.347 20 30 EDEDLO Cc1nc([C@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)no1 ZINC000905680749 592610834 /nfs/dbraw/zinc/61/08/34/592610834.db2.gz AACORWJDFQJNLU-ZDUSSCGKSA-N 1 2 325.372 1.347 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(OC)c2OC)C1 ZINC000907397679 592626258 /nfs/dbraw/zinc/62/62/58/592626258.db2.gz WBIAOWARZKMKBL-ZDUSSCGKSA-N 1 2 338.429 1.080 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(OC)c2OC)C1 ZINC000907397679 592626259 /nfs/dbraw/zinc/62/62/59/592626259.db2.gz WBIAOWARZKMKBL-ZDUSSCGKSA-N 1 2 338.429 1.080 20 30 EDEDLO C=CC[C@@H]([NH2+]C[C@H]1CC(=O)N(CC)[C@@H]1c1ccncc1)C(=O)OC ZINC000905775353 592635913 /nfs/dbraw/zinc/63/59/13/592635913.db2.gz VOWNDGVSMUVCCJ-BFYDXBDKSA-N 1 2 331.416 1.698 20 30 EDEDLO Cc1cc(C)nc(C2C[NH+](C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000905977101 592694762 /nfs/dbraw/zinc/69/47/62/592694762.db2.gz FLOYQZIMLATNGA-QGZVFWFLSA-N 1 2 338.411 1.804 20 30 EDEDLO Cc1cc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)ncc1C#N ZINC000906005689 592715172 /nfs/dbraw/zinc/71/51/72/592715172.db2.gz RRVMYFAXRMIHIV-CABCVRRESA-N 1 2 330.388 1.080 20 30 EDEDLO CC[C@H](C#N)C(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000907583814 592721703 /nfs/dbraw/zinc/72/17/03/592721703.db2.gz SPYHUIXYZFXNMX-DOMZBBRYSA-N 1 2 325.372 1.192 20 30 EDEDLO CC1(C)CCCN(C(=O)c2coc(C[N@@H+]3CC[C@H](O)C3)n2)[C@H]1C#N ZINC000907764317 592783065 /nfs/dbraw/zinc/78/30/65/592783065.db2.gz XQIFFYGHIKVBBD-JSGCOSHPSA-N 1 2 332.404 1.396 20 30 EDEDLO CC1(C)CCCN(C(=O)c2coc(C[N@H+]3CC[C@H](O)C3)n2)[C@H]1C#N ZINC000907764317 592783066 /nfs/dbraw/zinc/78/30/66/592783066.db2.gz XQIFFYGHIKVBBD-JSGCOSHPSA-N 1 2 332.404 1.396 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907949817 592854586 /nfs/dbraw/zinc/85/45/86/592854586.db2.gz FSICVLUVTQFWEE-FUHWJXTLSA-N 1 2 347.459 1.531 20 30 EDEDLO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)CC1 ZINC000906602849 592862315 /nfs/dbraw/zinc/86/23/15/592862315.db2.gz TXARDDHTEVSYEC-WXVPWVKJSA-N 1 2 349.475 1.248 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888408659 593052770 /nfs/dbraw/zinc/05/27/70/593052770.db2.gz ZWXFTNQJLMSBRL-MRVPVSSYSA-N 1 2 329.813 1.510 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000839948857 593218908 /nfs/dbraw/zinc/21/89/08/593218908.db2.gz KYMALLAUMKEUIE-UHFFFAOYSA-N 1 2 331.416 1.943 20 30 EDEDLO C=CCN1CCN(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000839948857 593218910 /nfs/dbraw/zinc/21/89/10/593218910.db2.gz KYMALLAUMKEUIE-UHFFFAOYSA-N 1 2 331.416 1.943 20 30 EDEDLO C#CCCS(=O)(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000808295994 593248661 /nfs/dbraw/zinc/24/86/61/593248661.db2.gz FWYFTPUGGQSVEC-NVXWUHKLSA-N 1 2 336.457 1.219 20 30 EDEDLO C#CCCS(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000808295994 593248662 /nfs/dbraw/zinc/24/86/62/593248662.db2.gz FWYFTPUGGQSVEC-NVXWUHKLSA-N 1 2 336.457 1.219 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C[C@H]4CCC[C@H]4C3=O)CC2)nc1 ZINC000839972285 593268612 /nfs/dbraw/zinc/26/86/12/593268612.db2.gz XUTGPOPUESJIOX-HZPDHXFCSA-N 1 2 325.416 1.291 20 30 EDEDLO CC(C)CCC(=NNC(=S)NCC[NH+]1CCOCC1)C1CC1 ZINC000802703650 593271286 /nfs/dbraw/zinc/27/12/86/593271286.db2.gz CDYRBEBSYRKGKD-UHFFFAOYSA-N 1 2 326.510 1.985 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1C ZINC000808750987 593285561 /nfs/dbraw/zinc/28/55/61/593285561.db2.gz POXLWNXZMNTHTQ-SJLPKXTDSA-N 1 2 345.443 1.225 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1C ZINC000808750987 593285562 /nfs/dbraw/zinc/28/55/62/593285562.db2.gz POXLWNXZMNTHTQ-SJLPKXTDSA-N 1 2 345.443 1.225 20 30 EDEDLO C[C@H](c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1)n1cnc(C#N)n1 ZINC000809399521 593336673 /nfs/dbraw/zinc/33/66/73/593336673.db2.gz JNPXBQIVXOTDSH-SNVBAGLBSA-N 1 2 333.315 1.390 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000810031635 593376229 /nfs/dbraw/zinc/37/62/29/593376229.db2.gz RYOMJVOPUALFBH-WMZOPIPTSA-N 1 2 329.400 1.961 20 30 EDEDLO N#Cc1cccc(C(=O)OCC[NH+]2CCN(C(=O)C3CCC3)CC2)n1 ZINC000810598553 593415612 /nfs/dbraw/zinc/41/56/12/593415612.db2.gz VKLDNVUWFCRBKM-UHFFFAOYSA-N 1 2 342.399 1.054 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc(C#N)cc2OC(F)F)C1 ZINC000805475594 593457259 /nfs/dbraw/zinc/45/72/59/593457259.db2.gz VDCAXUYZJRXGST-CQSZACIVSA-N 1 2 340.326 1.924 20 30 EDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc(C#N)cc2OC(F)F)C1 ZINC000805475594 593457260 /nfs/dbraw/zinc/45/72/60/593457260.db2.gz VDCAXUYZJRXGST-CQSZACIVSA-N 1 2 340.326 1.924 20 30 EDEDLO N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccn2cc[nH+]c2c1 ZINC000811817036 593483417 /nfs/dbraw/zinc/48/34/17/593483417.db2.gz MNMWMSMOZYXALJ-UHFFFAOYSA-N 1 2 327.369 1.465 20 30 EDEDLO CC[N@H+](CC(=O)N[C@H]1CCN(O)C1=O)Cc1ccccc1Cl ZINC000816693085 593541020 /nfs/dbraw/zinc/54/10/20/593541020.db2.gz BQFAKOAZGWJFPW-ZDUSSCGKSA-N 1 2 325.796 1.268 20 30 EDEDLO CC[N@@H+](CC(=O)N[C@H]1CCN(O)C1=O)Cc1ccccc1Cl ZINC000816693085 593541021 /nfs/dbraw/zinc/54/10/21/593541021.db2.gz BQFAKOAZGWJFPW-ZDUSSCGKSA-N 1 2 325.796 1.268 20 30 EDEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000815354658 593629323 /nfs/dbraw/zinc/62/93/23/593629323.db2.gz YLMUOXGWTILCLF-ZDUSSCGKSA-N 1 2 340.387 1.319 20 30 EDEDLO O=C(N[C@H]1CCN(O)C1=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000820150106 593795672 /nfs/dbraw/zinc/79/56/72/593795672.db2.gz VJZCZNFGVIJNCA-ZFWWWQNUSA-N 1 2 346.431 1.600 20 30 EDEDLO C=C(CC)C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000823878015 593877665 /nfs/dbraw/zinc/87/76/65/593877665.db2.gz MGXOEOUKBXLXHT-UHFFFAOYSA-N 1 2 329.408 1.820 20 30 EDEDLO O=C(C#Cc1cccs1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000825099848 594129625 /nfs/dbraw/zinc/12/96/25/594129625.db2.gz JSKWWIDCYGQGOF-UHFFFAOYSA-N 1 2 325.437 1.882 20 30 EDEDLO C#CC1CC[NH+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CC1 ZINC000830343313 594379238 /nfs/dbraw/zinc/37/92/38/594379238.db2.gz SCLLHEFNEGPPSZ-UHFFFAOYSA-N 1 2 344.806 1.599 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)o3)CCO2)c1 ZINC000826386680 594454702 /nfs/dbraw/zinc/45/47/02/594454702.db2.gz OEKSASXKWRNYQI-MRXNPFEDSA-N 1 2 336.355 1.905 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)o3)CCO2)c1 ZINC000826386680 594454704 /nfs/dbraw/zinc/45/47/04/594454704.db2.gz OEKSASXKWRNYQI-MRXNPFEDSA-N 1 2 336.355 1.905 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2c(OC)cccc2OC(F)(F)F)CC1 ZINC000827519998 594678303 /nfs/dbraw/zinc/67/83/03/594678303.db2.gz YAFIYUTVLCDFBB-UHFFFAOYSA-N 1 2 342.317 1.985 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N(C)Cc2ccccc2)CC1 ZINC000831687168 594692683 /nfs/dbraw/zinc/69/26/83/594692683.db2.gz JWKARYIZUMRGFZ-UHFFFAOYSA-N 1 2 329.400 1.424 20 30 EDEDLO NC(C[NH+]1CCSCC1)=NOCc1ncn(-c2ccccc2)n1 ZINC000121436328 594871699 /nfs/dbraw/zinc/87/16/99/594871699.db2.gz OOOPAFQTSBNELQ-UHFFFAOYSA-N 1 2 332.433 1.105 20 30 EDEDLO N#Cc1cnc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000842082193 595014909 /nfs/dbraw/zinc/01/49/09/595014909.db2.gz UPPGXCLNIVSDCJ-MRXNPFEDSA-N 1 2 338.367 1.292 20 30 EDEDLO N#Cc1cnc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000842082193 595014912 /nfs/dbraw/zinc/01/49/12/595014912.db2.gz UPPGXCLNIVSDCJ-MRXNPFEDSA-N 1 2 338.367 1.292 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000843254236 595053167 /nfs/dbraw/zinc/05/31/67/595053167.db2.gz SRKPURPLCGYGRP-CVEARBPZSA-N 1 2 342.443 1.388 20 30 EDEDLO C#CC[C@@H]1NC(=O)N([C@@H](c2[nH+]ccn2C)c2ccccc2OC)C1=O ZINC000843304729 595068552 /nfs/dbraw/zinc/06/85/52/595068552.db2.gz AUHLRCMMXQEEPO-DZGCQCFKSA-N 1 2 338.367 1.462 20 30 EDEDLO COCCOCCN1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000846116153 595147152 /nfs/dbraw/zinc/14/71/52/595147152.db2.gz FTPQCFFSICXOEA-QGZVFWFLSA-N 1 2 347.459 1.758 20 30 EDEDLO C#CC[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C(=O)OC ZINC000837946656 595235485 /nfs/dbraw/zinc/23/54/85/595235485.db2.gz CGZTZCOZVMXZCU-INIZCTEOSA-N 1 2 325.368 1.155 20 30 EDEDLO Cc1cc(Cl)cc(C#N)c1OS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000867422499 595236625 /nfs/dbraw/zinc/23/66/25/595236625.db2.gz MOKHWTHGRRCCHN-ZDUSSCGKSA-N 1 2 344.820 1.559 20 30 EDEDLO Cc1cc(Cl)cc(C#N)c1OS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000867422499 595236626 /nfs/dbraw/zinc/23/66/26/595236626.db2.gz MOKHWTHGRRCCHN-ZDUSSCGKSA-N 1 2 344.820 1.559 20 30 EDEDLO COc1cc2c(cc1F)C(=NNC1=[NH+][C@H]3CCCC[C@@H]3N1)C(=O)N2 ZINC000834966312 595243686 /nfs/dbraw/zinc/24/36/86/595243686.db2.gz MYSPXTFKDIJOOF-QWRGUYRKSA-N 1 2 331.351 1.351 20 30 EDEDLO C#Cc1ccccc1CC(=O)O[C@@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842962067 595243815 /nfs/dbraw/zinc/24/38/15/595243815.db2.gz CNFZZHHCIFCBAO-MAUKXSAKSA-N 1 2 331.412 1.489 20 30 EDEDLO C#Cc1ccccc1CC(=O)O[C@@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842962067 595243817 /nfs/dbraw/zinc/24/38/17/595243817.db2.gz CNFZZHHCIFCBAO-MAUKXSAKSA-N 1 2 331.412 1.489 20 30 EDEDLO CN(C(=O)C#Cc1ccc2c(c1)OCO2)C(C)(C)C[NH+]1CCOCC1 ZINC000840568787 595265456 /nfs/dbraw/zinc/26/54/56/595265456.db2.gz UXOLXNASNGGXEW-UHFFFAOYSA-N 1 2 344.411 1.336 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000844411596 595339676 /nfs/dbraw/zinc/33/96/76/595339676.db2.gz GABWQSQOMLHOBX-QGZVFWFLSA-N 1 2 339.399 1.776 20 30 EDEDLO COC(=O)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCC[C@@H](OC)C1 ZINC000844446016 595344265 /nfs/dbraw/zinc/34/42/65/595344265.db2.gz JBEATMGAXRLAJR-XWTMOSNGSA-N 1 2 346.427 1.928 20 30 EDEDLO COc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnc1Br ZINC000844528319 595355367 /nfs/dbraw/zinc/35/53/67/595355367.db2.gz UNEXCDWMCZGZPR-ZDUSSCGKSA-N 1 2 341.209 1.426 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](Cn2nc(CC#N)n(C)c2=S)C[C@H]1C1CC1 ZINC000844764186 595392128 /nfs/dbraw/zinc/39/21/28/595392128.db2.gz HHBCFSHEVLXCOL-NWDGAFQWSA-N 1 2 335.433 1.106 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](Cn2nc(CC#N)n(C)c2=S)C[C@H]1C1CC1 ZINC000844764186 595392131 /nfs/dbraw/zinc/39/21/31/595392131.db2.gz HHBCFSHEVLXCOL-NWDGAFQWSA-N 1 2 335.433 1.106 20 30 EDEDLO C#CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000848635163 595420329 /nfs/dbraw/zinc/42/03/29/595420329.db2.gz WUDXVRYEZZIAQQ-OAGGEKHMSA-N 1 2 349.475 1.005 20 30 EDEDLO C#CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000848635163 595420331 /nfs/dbraw/zinc/42/03/31/595420331.db2.gz WUDXVRYEZZIAQQ-OAGGEKHMSA-N 1 2 349.475 1.005 20 30 EDEDLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccnc(C#N)n1 ZINC000848663020 595424417 /nfs/dbraw/zinc/42/44/17/595424417.db2.gz NOCJJXSACLPAKC-UHFFFAOYSA-N 1 2 346.435 1.337 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 ZINC000849144914 595487506 /nfs/dbraw/zinc/48/75/06/595487506.db2.gz NCIPVXXQHZTERM-CQSZACIVSA-N 1 2 333.436 1.648 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000845500268 595507875 /nfs/dbraw/zinc/50/78/75/595507875.db2.gz JKODXXKFPJJJPD-UHFFFAOYSA-N 1 2 346.228 1.641 20 30 EDEDLO O=S(=O)(NC1CC1)c1ccc(N=NCc2c[nH+]c3n2CCC3)nc1 ZINC000853288383 595728509 /nfs/dbraw/zinc/72/85/09/595728509.db2.gz LHRXKDZCNMFEHY-UHFFFAOYSA-N 1 2 346.416 1.111 20 30 EDEDLO C#Cc1cccnc1N1CCC[N@@H+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC000853412753 595749442 /nfs/dbraw/zinc/74/94/42/595749442.db2.gz HJPNRROFTOOMFP-CQSZACIVSA-N 1 2 341.415 1.866 20 30 EDEDLO C#Cc1cccnc1N1CCC[N@H+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC000853412753 595749443 /nfs/dbraw/zinc/74/94/43/595749443.db2.gz HJPNRROFTOOMFP-CQSZACIVSA-N 1 2 341.415 1.866 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC000853592508 595820924 /nfs/dbraw/zinc/82/09/24/595820924.db2.gz UUIAJVGRZRDZDD-MRXNPFEDSA-N 1 2 339.399 1.495 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C ZINC000853619448 595834415 /nfs/dbraw/zinc/83/44/15/595834415.db2.gz BPIYQPPWOQUXGW-GJZGRUSLSA-N 1 2 335.448 1.662 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C ZINC000853619448 595834420 /nfs/dbraw/zinc/83/44/20/595834420.db2.gz BPIYQPPWOQUXGW-GJZGRUSLSA-N 1 2 335.448 1.662 20 30 EDEDLO Cc1cc(N[C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c[nH+]1 ZINC000853819488 595890687 /nfs/dbraw/zinc/89/06/87/595890687.db2.gz SLMOAHIZNOXHRO-CQSZACIVSA-N 1 2 344.415 1.874 20 30 EDEDLO C=C[C@@H](C)ONC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000854219422 596005473 /nfs/dbraw/zinc/00/54/73/596005473.db2.gz OYIZSPKQYCDGGF-NVXWUHKLSA-N 1 2 332.448 1.608 20 30 EDEDLO C=C[C@@H](C)ONC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000854219422 596005475 /nfs/dbraw/zinc/00/54/75/596005475.db2.gz OYIZSPKQYCDGGF-NVXWUHKLSA-N 1 2 332.448 1.608 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](CCC)NC(=O)Cc2ccccc2)CC1 ZINC000112206624 596066828 /nfs/dbraw/zinc/06/68/28/596066828.db2.gz NPWNVKRINZTFAI-SFHVURJKSA-N 1 2 341.455 1.291 20 30 EDEDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000852211994 596088035 /nfs/dbraw/zinc/08/80/35/596088035.db2.gz YVJMBSXFQPAKER-INIZCTEOSA-N 1 2 342.399 1.932 20 30 EDEDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000852211994 596088036 /nfs/dbraw/zinc/08/80/36/596088036.db2.gz YVJMBSXFQPAKER-INIZCTEOSA-N 1 2 342.399 1.932 20 30 EDEDLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)C1 ZINC000852333806 596128845 /nfs/dbraw/zinc/12/88/45/596128845.db2.gz VWAVGZLFBLMQHK-DOTOQJQBSA-N 1 2 348.472 1.220 20 30 EDEDLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)C1 ZINC000852333806 596128847 /nfs/dbraw/zinc/12/88/47/596128847.db2.gz VWAVGZLFBLMQHK-DOTOQJQBSA-N 1 2 348.472 1.220 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](N4CCOC4=O)C3)C2=O)cc1 ZINC000852436294 596161113 /nfs/dbraw/zinc/16/11/13/596161113.db2.gz XLPMGTWJDVKMAX-HZPDHXFCSA-N 1 2 340.383 1.190 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](N4CCOC4=O)C3)C2=O)cc1 ZINC000852436294 596161115 /nfs/dbraw/zinc/16/11/15/596161115.db2.gz XLPMGTWJDVKMAX-HZPDHXFCSA-N 1 2 340.383 1.190 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CCCC)C(C)C)CC1 ZINC000857117382 596161677 /nfs/dbraw/zinc/16/16/77/596161677.db2.gz IDEFFOBRHNGJHN-KRWDZBQOSA-N 1 2 335.492 1.733 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CCCC)C(C)C)CC1 ZINC000857117382 596161680 /nfs/dbraw/zinc/16/16/80/596161680.db2.gz IDEFFOBRHNGJHN-KRWDZBQOSA-N 1 2 335.492 1.733 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000852651378 596219931 /nfs/dbraw/zinc/21/99/31/596219931.db2.gz AZPNASHAJXJLMM-UHOFOFEASA-N 1 2 330.384 1.903 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000852651378 596219932 /nfs/dbraw/zinc/21/99/32/596219932.db2.gz AZPNASHAJXJLMM-UHOFOFEASA-N 1 2 330.384 1.903 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000852680538 596226288 /nfs/dbraw/zinc/22/62/88/596226288.db2.gz XEYBNNREPIOUFZ-QAPCUYQASA-N 1 2 341.411 1.717 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000852680538 596226291 /nfs/dbraw/zinc/22/62/91/596226291.db2.gz XEYBNNREPIOUFZ-QAPCUYQASA-N 1 2 341.411 1.717 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCc2noc3ccccc32)CC1 ZINC000866599052 596265074 /nfs/dbraw/zinc/26/50/74/596265074.db2.gz YSGNZGZGLJOTKA-UHFFFAOYSA-N 1 2 347.440 1.341 20 30 EDEDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000862458772 596332598 /nfs/dbraw/zinc/33/25/98/596332598.db2.gz IZOMWKXXQNQWCH-CZUORRHYSA-N 1 2 332.404 1.107 20 30 EDEDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000862458772 596332603 /nfs/dbraw/zinc/33/26/03/596332603.db2.gz IZOMWKXXQNQWCH-CZUORRHYSA-N 1 2 332.404 1.107 20 30 EDEDLO C#CC[C@H]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000862573906 596348745 /nfs/dbraw/zinc/34/87/45/596348745.db2.gz GBBZVPSSIBDFDW-HOCLYGCPSA-N 1 2 330.432 1.355 20 30 EDEDLO C#CC[C@H]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000862573906 596348748 /nfs/dbraw/zinc/34/87/48/596348748.db2.gz GBBZVPSSIBDFDW-HOCLYGCPSA-N 1 2 330.432 1.355 20 30 EDEDLO C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(C)c2[nH+]cccc2C1 ZINC000871053335 596448415 /nfs/dbraw/zinc/44/84/15/596448415.db2.gz CEIURKUOSCJACE-OAHLLOKOSA-N 1 2 340.431 1.819 20 30 EDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867711249 596509266 /nfs/dbraw/zinc/50/92/66/596509266.db2.gz JMAYZKRWAXKQOW-NSHDSACASA-N 1 2 345.827 1.924 20 30 EDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867711249 596509269 /nfs/dbraw/zinc/50/92/69/596509269.db2.gz JMAYZKRWAXKQOW-NSHDSACASA-N 1 2 345.827 1.924 20 30 EDEDLO C#CCCS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000867733008 596522529 /nfs/dbraw/zinc/52/25/29/596522529.db2.gz GKWFOZDMMOJEBQ-QGZVFWFLSA-N 1 2 336.457 1.139 20 30 EDEDLO C#CCCS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000867733008 596522531 /nfs/dbraw/zinc/52/25/31/596522531.db2.gz GKWFOZDMMOJEBQ-QGZVFWFLSA-N 1 2 336.457 1.139 20 30 EDEDLO COC(=O)CCN(CC#N)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000871340828 596535679 /nfs/dbraw/zinc/53/56/79/596535679.db2.gz HNGRKYOURXITMZ-UHFFFAOYSA-N 1 2 326.356 1.460 20 30 EDEDLO C=CCCCS(=O)(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000867769957 596540156 /nfs/dbraw/zinc/54/01/56/596540156.db2.gz HWYVGCARJFUCFU-UHFFFAOYSA-N 1 2 346.493 1.678 20 30 EDEDLO CN(C)[C@H](C(=O)N(C)CCc1cccc(C#N)c1)c1c[nH+]cn1C ZINC000863440438 596585095 /nfs/dbraw/zinc/58/50/95/596585095.db2.gz VPKLVQNIRSFAJK-KRWDZBQOSA-N 1 2 325.416 1.596 20 30 EDEDLO COc1ccc(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)cc1C#N ZINC000865506209 596593646 /nfs/dbraw/zinc/59/36/46/596593646.db2.gz OAKIHJBABSHJTO-AWEZNQCLSA-N 1 2 327.388 1.485 20 30 EDEDLO N#Cc1c[nH]c2cc(C(=O)N3CC[NH+](CCn4cncn4)CC3)ccc12 ZINC000866015590 596759271 /nfs/dbraw/zinc/75/92/71/596759271.db2.gz QYFUIGIHBIXWCY-UHFFFAOYSA-N 1 2 349.398 1.089 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1NC[C@]12COC(=O)N1CCOC2 ZINC000866155646 596808896 /nfs/dbraw/zinc/80/88/96/596808896.db2.gz LOVTZPWOYCOZGV-KRWDZBQOSA-N 1 2 331.372 1.507 20 30 EDEDLO CC(C)(C)[C@@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)CCO1 ZINC000872329216 596881309 /nfs/dbraw/zinc/88/13/09/596881309.db2.gz MBFPSTMYUZAGCB-AWEZNQCLSA-N 1 2 342.509 1.364 20 30 EDEDLO CC(C)OCCNN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872364212 596895775 /nfs/dbraw/zinc/89/57/75/596895775.db2.gz GCDITERZJOKRGX-UHFFFAOYSA-N 1 2 335.448 1.746 20 30 EDEDLO N#CCCN1CC[NH+](CN2CC[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000872734072 597051298 /nfs/dbraw/zinc/05/12/98/597051298.db2.gz WJWBKDGKGQWFHS-SFHVURJKSA-N 1 2 326.444 1.566 20 30 EDEDLO N#C[C@@H]1CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCN1C1CC1 ZINC000874460861 597089794 /nfs/dbraw/zinc/08/97/94/597089794.db2.gz NNUAFXBNILDZNB-CHWSQXEVSA-N 1 2 341.337 1.575 20 30 EDEDLO C#CCN(C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000876120625 597098945 /nfs/dbraw/zinc/09/89/45/597098945.db2.gz FEBPQXGZXOFPHC-UHFFFAOYSA-N 1 2 335.448 1.600 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000125917490 597186682 /nfs/dbraw/zinc/18/66/82/597186682.db2.gz AOWYJZPZIKTKSB-INIZCTEOSA-N 1 2 344.459 1.826 20 30 EDEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000873898451 597439411 /nfs/dbraw/zinc/43/94/11/597439411.db2.gz QWNREDPRMKUBKV-LBPRGKRZSA-N 1 2 327.319 1.402 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000875541800 597470702 /nfs/dbraw/zinc/47/07/02/597470702.db2.gz QGPCGWNLADTSRE-AEFFLSMTSA-N 1 2 342.443 1.956 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000875541800 597470705 /nfs/dbraw/zinc/47/07/05/597470705.db2.gz QGPCGWNLADTSRE-AEFFLSMTSA-N 1 2 342.443 1.956 20 30 EDEDLO C#CC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(=O)OC ZINC000877583276 597538979 /nfs/dbraw/zinc/53/89/79/597538979.db2.gz NVPWDNATNNDRJQ-ZQDZILKHSA-N 1 2 336.432 1.929 20 30 EDEDLO C=CC[C@H](C(=O)OC)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000877893842 597562314 /nfs/dbraw/zinc/56/23/14/597562314.db2.gz AXDJWJJJNZHLJR-MRXNPFEDSA-N 1 2 346.427 1.693 20 30 EDEDLO C#CC[N@@H+](Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)C1CSC1 ZINC000878911051 597753048 /nfs/dbraw/zinc/75/30/48/597753048.db2.gz BMAMJLQJSBCHLY-UHFFFAOYSA-N 1 2 346.412 1.162 20 30 EDEDLO C#CC[N@H+](Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)C1CSC1 ZINC000878911051 597753051 /nfs/dbraw/zinc/75/30/51/597753051.db2.gz BMAMJLQJSBCHLY-UHFFFAOYSA-N 1 2 346.412 1.162 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000884068431 597984854 /nfs/dbraw/zinc/98/48/54/597984854.db2.gz PQZQEURXZYRFOE-LBPRGKRZSA-N 1 2 348.296 1.907 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000884155736 598010140 /nfs/dbraw/zinc/01/01/40/598010140.db2.gz JJSHZTBPSFNPSO-RISCZKNCSA-N 1 2 340.807 1.670 20 30 EDEDLO COc1ccc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1C#N ZINC000880883292 598025564 /nfs/dbraw/zinc/02/55/64/598025564.db2.gz SONCDXZKOXEMMS-CHWSQXEVSA-N 1 2 332.404 1.798 20 30 EDEDLO COc1ccc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1C#N ZINC000880883292 598025567 /nfs/dbraw/zinc/02/55/67/598025567.db2.gz SONCDXZKOXEMMS-CHWSQXEVSA-N 1 2 332.404 1.798 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCCc2nc(C)sc21 ZINC000884221160 598033240 /nfs/dbraw/zinc/03/32/40/598033240.db2.gz LFEZCZPULMTYOU-AAEUAGOBSA-N 1 2 337.445 1.734 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000884391915 598091041 /nfs/dbraw/zinc/09/10/41/598091041.db2.gz MYZIACVBLPEVQW-GARJFASQSA-N 1 2 338.326 1.049 20 30 EDEDLO C#CCOc1ccc(C(=O)NC2C[NH+](CCc3cnn(C)c3)C2)cc1 ZINC001031066582 695451377 /nfs/dbraw/zinc/45/13/77/695451377.db2.gz GZLBMIPNODFKFU-UHFFFAOYSA-N 1 2 338.411 1.089 20 30 EDEDLO C[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CCN1CC#N ZINC000948061044 695779837 /nfs/dbraw/zinc/77/98/37/695779837.db2.gz NXTANCLITGTHPE-ZFWWWQNUSA-N 1 2 332.473 1.599 20 30 EDEDLO C[C@H]1C[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)CCN1CC#N ZINC000948061044 695779838 /nfs/dbraw/zinc/77/98/38/695779838.db2.gz NXTANCLITGTHPE-ZFWWWQNUSA-N 1 2 332.473 1.599 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000993214529 695819580 /nfs/dbraw/zinc/81/95/80/695819580.db2.gz CAFFKLJCOOCAPQ-KUHUBIRLSA-N 1 2 344.459 1.861 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000993224257 695847745 /nfs/dbraw/zinc/84/77/45/695847745.db2.gz LYFDTQCGOPXCSF-ACJLOTCBSA-N 1 2 330.432 1.471 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2C)[C@@H]1C ZINC000993447770 696158793 /nfs/dbraw/zinc/15/87/93/696158793.db2.gz PFTAQQJQWLVXKR-GDBMZVCRSA-N 1 2 342.447 1.586 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2C)[C@@H]1C ZINC000993447770 696158795 /nfs/dbraw/zinc/15/87/95/696158795.db2.gz PFTAQQJQWLVXKR-GDBMZVCRSA-N 1 2 342.447 1.586 20 30 EDEDLO C=CCOc1ccccc1C(=O)N[C@H]1CCC[N@H+](CC(N)=O)[C@@H]1C ZINC000993496623 696176385 /nfs/dbraw/zinc/17/63/85/696176385.db2.gz IOUMMZWJFZAWHV-HIFRSBDPSA-N 1 2 331.416 1.319 20 30 EDEDLO C=CCOc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)[C@@H]1C ZINC000993496623 696176386 /nfs/dbraw/zinc/17/63/86/696176386.db2.gz IOUMMZWJFZAWHV-HIFRSBDPSA-N 1 2 331.416 1.319 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnc(C)cn3)[C@@H]2C)cn1 ZINC000994249979 696641833 /nfs/dbraw/zinc/64/18/33/696641833.db2.gz KCSLLCAXQKSFQR-DNVCBOLYSA-N 1 2 349.438 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnc(C)cn3)[C@@H]2C)cn1 ZINC000994249979 696641834 /nfs/dbraw/zinc/64/18/34/696641834.db2.gz KCSLLCAXQKSFQR-DNVCBOLYSA-N 1 2 349.438 1.944 20 30 EDEDLO O=C(Cn1cc[nH+]c1)NC1CN(CC#Cc2ccc(Cl)cc2)C1 ZINC001031476654 697161138 /nfs/dbraw/zinc/16/11/38/697161138.db2.gz ZYKXOKUWPBKPHQ-UHFFFAOYSA-N 1 2 328.803 1.389 20 30 EDEDLO CCc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)[nH]n1 ZINC001031551898 697236591 /nfs/dbraw/zinc/23/65/91/697236591.db2.gz DYGOSPMJCBZGNG-UHFFFAOYSA-N 1 2 341.390 1.845 20 30 EDEDLO CCO[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031565748 697259150 /nfs/dbraw/zinc/25/91/50/697259150.db2.gz PBNXTJWSYNZEQX-NVXWUHKLSA-N 1 2 331.391 1.670 20 30 EDEDLO Cc1ncoc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031598791 697297877 /nfs/dbraw/zinc/29/78/77/697297877.db2.gz OYEDNYRLVKCIHO-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1cncnc1 ZINC001031628159 697367289 /nfs/dbraw/zinc/36/72/89/697367289.db2.gz ZFZVTHIDCRTXFD-UHFFFAOYSA-N 1 2 340.814 1.843 20 30 EDEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000921414010 697598318 /nfs/dbraw/zinc/59/83/18/697598318.db2.gz ZSMVMNDJXYHEHB-JTQLQIEISA-N 1 2 333.335 1.559 20 30 EDEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000921414010 697598321 /nfs/dbraw/zinc/59/83/21/697598321.db2.gz ZSMVMNDJXYHEHB-JTQLQIEISA-N 1 2 333.335 1.559 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000921438184 697613093 /nfs/dbraw/zinc/61/30/93/697613093.db2.gz SMURFFILBWYMMD-UHFFFAOYSA-N 1 2 347.362 1.476 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001031710984 697715406 /nfs/dbraw/zinc/71/54/06/697715406.db2.gz BEQFZRUEGMOWJV-ZDUSSCGKSA-N 1 2 327.856 1.434 20 30 EDEDLO C=CCn1cccc1C(=O)NCC1C[NH+](Cc2cnc(C)cn2)C1 ZINC001031733613 698204301 /nfs/dbraw/zinc/20/43/01/698204301.db2.gz GKNMQABBABRCJK-UHFFFAOYSA-N 1 2 325.416 1.634 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)C[C@@H]2C)nn1 ZINC000943495049 698439052 /nfs/dbraw/zinc/43/90/52/698439052.db2.gz BTWQTYXIDUBWGQ-GXTWGEPZSA-N 1 2 346.460 1.561 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)C[C@@H]2C)nn1 ZINC000943495049 698439055 /nfs/dbraw/zinc/43/90/55/698439055.db2.gz BTWQTYXIDUBWGQ-GXTWGEPZSA-N 1 2 346.460 1.561 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3cncc(C)c3)CC2)C1 ZINC000941480822 701553307 /nfs/dbraw/zinc/55/33/07/701553307.db2.gz PHXPAODZGUGBEJ-UHFFFAOYSA-N 1 2 340.471 1.174 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)nc3C(C)C)CC2)C1 ZINC000941506876 701563059 /nfs/dbraw/zinc/56/30/59/701563059.db2.gz RSEDFSSHKHKJDF-UHFFFAOYSA-N 1 2 340.471 1.589 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc3c(c2)N(C)CCO3)C1 ZINC001031769405 699079533 /nfs/dbraw/zinc/07/95/33/699079533.db2.gz HTVTZAWFLWKGIS-UHFFFAOYSA-N 1 2 335.835 1.929 20 30 EDEDLO Cn1ncc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c1Cl ZINC001031772181 699097754 /nfs/dbraw/zinc/09/77/54/699097754.db2.gz PVNFCZAICFJOJX-UHFFFAOYSA-N 1 2 343.818 1.807 20 30 EDEDLO C[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC000939053907 699113639 /nfs/dbraw/zinc/11/36/39/699113639.db2.gz BPCWNNWDKMHXNF-IUODEOHRSA-N 1 2 339.399 1.248 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000941543239 701575383 /nfs/dbraw/zinc/57/53/83/701575383.db2.gz FDGYVNMICXKOIE-GFCCVEGCSA-N 1 2 325.372 1.397 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3cc(C)ccc3C)CC2)C1 ZINC000941547037 701576449 /nfs/dbraw/zinc/57/64/49/701576449.db2.gz HGPNBZFZMZGPRB-UHFFFAOYSA-N 1 2 339.483 1.698 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CO[C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000941590641 701585680 /nfs/dbraw/zinc/58/56/80/701585680.db2.gz SUZDUSLGRXHEAX-HKUYNNGSSA-N 1 2 347.503 1.433 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3cc(C)oc3C)CC2)C1 ZINC000941607377 701594858 /nfs/dbraw/zinc/59/48/58/701594858.db2.gz MFEJRXWOWRPSOA-INIZCTEOSA-N 1 2 343.471 1.852 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](c3cccnc3)C(C)C)CC2)C1 ZINC000941612967 701596470 /nfs/dbraw/zinc/59/64/70/701596470.db2.gz AKWNEVRJFQIAGZ-IBGZPJMESA-N 1 2 340.471 1.283 20 30 EDEDLO C=CCC[NH+]1CC(N2CCN(C(=O)c3cccc4[nH]cnc43)CC2)C1 ZINC000941613104 701596576 /nfs/dbraw/zinc/59/65/76/701596576.db2.gz DVAOADYUFPTHHF-UHFFFAOYSA-N 1 2 339.443 1.581 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(Cl)cn3)CC2)C1 ZINC000941645724 701610064 /nfs/dbraw/zinc/61/00/64/701610064.db2.gz ZCRUYHWCFROEDK-UHFFFAOYSA-N 1 2 332.835 1.200 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000939615278 699766233 /nfs/dbraw/zinc/76/62/33/699766233.db2.gz INVRMGHSLZCQMU-DYVFJYSZSA-N 1 2 340.452 1.699 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1 ZINC000944240398 701623390 /nfs/dbraw/zinc/62/33/90/701623390.db2.gz OZVSDCSQEOOTPW-HUUCEWRRSA-N 1 2 348.447 1.205 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)C1 ZINC000945431934 700278120 /nfs/dbraw/zinc/27/81/20/700278120.db2.gz MAYCSHYFWOLGQC-DZGCQCFKSA-N 1 2 344.459 1.970 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(c4ccccc4C)CC3)CC2)C1 ZINC000941685082 701630402 /nfs/dbraw/zinc/63/04/02/701630402.db2.gz QMSMQOBIUPLHCC-UHFFFAOYSA-N 1 2 337.467 1.488 20 30 EDEDLO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)nn1 ZINC000940656514 700818846 /nfs/dbraw/zinc/81/88/46/700818846.db2.gz CQQOAUBNYUOPAX-OAHLLOKOSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)nn1 ZINC000940656514 700818847 /nfs/dbraw/zinc/81/88/47/700818847.db2.gz CQQOAUBNYUOPAX-OAHLLOKOSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)nn1 ZINC000940685836 700845255 /nfs/dbraw/zinc/84/52/55/700845255.db2.gz ITEYJCXWYKJBJC-OAHLLOKOSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)nn1 ZINC000940685836 700845257 /nfs/dbraw/zinc/84/52/57/700845257.db2.gz ITEYJCXWYKJBJC-OAHLLOKOSA-N 1 2 341.419 1.045 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCN(CC#N)CC3(C)C)ccn12 ZINC000940746868 700873029 /nfs/dbraw/zinc/87/30/29/700873029.db2.gz CUATVJUMQLPVCU-OAHLLOKOSA-N 1 2 325.416 1.997 20 30 EDEDLO CC1(C)C[N@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000940858647 700957570 /nfs/dbraw/zinc/95/75/70/700957570.db2.gz QBXQURGLWBSACG-INIZCTEOSA-N 1 2 338.415 1.707 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000940858647 700957572 /nfs/dbraw/zinc/95/75/72/700957572.db2.gz QBXQURGLWBSACG-INIZCTEOSA-N 1 2 338.415 1.707 20 30 EDEDLO CC1(C)C[N@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000940858647 700957574 /nfs/dbraw/zinc/95/75/74/700957574.db2.gz QBXQURGLWBSACG-INIZCTEOSA-N 1 2 338.415 1.707 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000940858647 700957576 /nfs/dbraw/zinc/95/75/76/700957576.db2.gz QBXQURGLWBSACG-INIZCTEOSA-N 1 2 338.415 1.707 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000940916076 700985091 /nfs/dbraw/zinc/98/50/91/700985091.db2.gz ZHOZXBREBYDDKX-HUUCEWRRSA-N 1 2 340.489 1.194 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000940916076 700985092 /nfs/dbraw/zinc/98/50/92/700985092.db2.gz ZHOZXBREBYDDKX-HUUCEWRRSA-N 1 2 340.489 1.194 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001031969707 701682328 /nfs/dbraw/zinc/68/23/28/701682328.db2.gz NCVBGXRTEOLINK-KRWDZBQOSA-N 1 2 340.427 1.165 20 30 EDEDLO N#Cc1cccc(C[NH+]2CC(N3CCN(C(=O)C4CCC4)CC3)C2)c1 ZINC000941273163 701446312 /nfs/dbraw/zinc/44/63/12/701446312.db2.gz YYROJPXPOQKFNE-UHFFFAOYSA-N 1 2 338.455 1.687 20 30 EDEDLO CCc1nc(C)c(C[NH+]2CC(N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)o1 ZINC000941347893 701482557 /nfs/dbraw/zinc/48/25/57/701482557.db2.gz GCFDJXMDIBMSRQ-ZDUSSCGKSA-N 1 2 345.447 1.034 20 30 EDEDLO N#Cc1cccc(C[NH+]2CC(N3CCN(C(=O)C#CC4CC4)CC3)C2)c1 ZINC000941403535 701518358 /nfs/dbraw/zinc/51/83/58/701518358.db2.gz ADRQYTUKATUADJ-UHFFFAOYSA-N 1 2 348.450 1.300 20 30 EDEDLO Cc1cccnc1C[NH+]1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000941403917 701518518 /nfs/dbraw/zinc/51/85/18/701518518.db2.gz MXBMIJHDBSGIIB-UHFFFAOYSA-N 1 2 338.455 1.132 20 30 EDEDLO Cc1ncsc1C[NH+]1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000941404264 701518727 /nfs/dbraw/zinc/51/87/27/701518727.db2.gz WSEZTNAGBDMWOT-UHFFFAOYSA-N 1 2 344.484 1.193 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3cccnc3)CC2)C1 ZINC000941467482 701548990 /nfs/dbraw/zinc/54/89/90/701548990.db2.gz BGBXPAUAHNUYQX-UHFFFAOYSA-N 1 2 340.471 1.211 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000941750508 701711667 /nfs/dbraw/zinc/71/16/67/701711667.db2.gz YXGRRVUUTYETMK-DZGCQCFKSA-N 1 2 337.383 1.363 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccc(=O)[nH]c3)C2)cc1F ZINC001032168613 702077552 /nfs/dbraw/zinc/07/75/52/702077552.db2.gz KINMHQXYBQUPRH-UHFFFAOYSA-N 1 2 340.358 1.660 20 30 EDEDLO C=CCn1cccc1C(=O)NC[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000944110148 702242436 /nfs/dbraw/zinc/24/24/36/702242436.db2.gz ZOUPPUVSUJRDQI-OAHLLOKOSA-N 1 2 341.415 1.292 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1nccn2ccnc12 ZINC001031984893 702326857 /nfs/dbraw/zinc/32/68/57/702326857.db2.gz FGOPRQSIBROOAA-UHFFFAOYSA-N 1 2 345.406 1.443 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnns3)C[C@H]2C)nc1 ZINC000944193027 702486477 /nfs/dbraw/zinc/48/64/77/702486477.db2.gz QQUPNKDUSFJOLC-DOMZBBRYSA-N 1 2 341.440 1.555 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnns3)C[C@H]2C)nc1 ZINC000944193027 702486480 /nfs/dbraw/zinc/48/64/80/702486480.db2.gz QQUPNKDUSFJOLC-DOMZBBRYSA-N 1 2 341.440 1.555 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C[C@@H]1C ZINC000942131799 702635864 /nfs/dbraw/zinc/63/58/64/702635864.db2.gz ZXOOPMOKEYLUCP-GOEBONIOSA-N 1 2 342.447 1.443 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)n2)C[C@@H]1C ZINC000942131799 702635866 /nfs/dbraw/zinc/63/58/66/702635866.db2.gz ZXOOPMOKEYLUCP-GOEBONIOSA-N 1 2 342.447 1.443 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000942358621 702862126 /nfs/dbraw/zinc/86/21/26/702862126.db2.gz UTMYJHZNKZEOLT-OAHLLOKOSA-N 1 2 343.427 1.706 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nnnn3C(C)C)C[C@H]2C)C1 ZINC000942603155 703119600 /nfs/dbraw/zinc/11/96/00/703119600.db2.gz SRYXZAHPKWKIJK-CABCVRRESA-N 1 2 346.479 1.937 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nnnn3C(C)C)C[C@H]2C)C1 ZINC000942603155 703119601 /nfs/dbraw/zinc/11/96/01/703119601.db2.gz SRYXZAHPKWKIJK-CABCVRRESA-N 1 2 346.479 1.937 20 30 EDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001015987530 703549668 /nfs/dbraw/zinc/54/96/68/703549668.db2.gz KYMTWKRPXUSHOY-KSSFIOAISA-N 1 2 349.438 1.777 20 30 EDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001015987530 703549669 /nfs/dbraw/zinc/54/96/69/703549669.db2.gz KYMTWKRPXUSHOY-KSSFIOAISA-N 1 2 349.438 1.777 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)cc1 ZINC000997335651 703563145 /nfs/dbraw/zinc/56/31/45/703563145.db2.gz VLAHKGNFODJPIB-INIZCTEOSA-N 1 2 348.406 1.068 20 30 EDEDLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032454954 703632040 /nfs/dbraw/zinc/63/20/40/703632040.db2.gz RZLVDCSFPPDOOO-MGHWNKPDSA-N 1 2 341.411 1.147 20 30 EDEDLO C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032454954 703632041 /nfs/dbraw/zinc/63/20/41/703632041.db2.gz RZLVDCSFPPDOOO-MGHWNKPDSA-N 1 2 341.411 1.147 20 30 EDEDLO O=C(c1cn[nH]c(=O)c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032461348 703642621 /nfs/dbraw/zinc/64/26/21/703642621.db2.gz FWRSPUVFMIVBAS-IRXDYDNUSA-N 1 2 334.379 1.133 20 30 EDEDLO O=C(c1cn[nH]c(=O)c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032461348 703642622 /nfs/dbraw/zinc/64/26/22/703642622.db2.gz FWRSPUVFMIVBAS-IRXDYDNUSA-N 1 2 334.379 1.133 20 30 EDEDLO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032462356 703643692 /nfs/dbraw/zinc/64/36/92/703643692.db2.gz PLNVXJNRYRWJNG-GJZGRUSLSA-N 1 2 337.383 1.394 20 30 EDEDLO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032462356 703643694 /nfs/dbraw/zinc/64/36/94/703643694.db2.gz PLNVXJNRYRWJNG-GJZGRUSLSA-N 1 2 337.383 1.394 20 30 EDEDLO Cc1nonc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032709224 706781805 /nfs/dbraw/zinc/78/18/05/706781805.db2.gz VLXOMLABXVDRQT-HOTGVXAUSA-N 1 2 337.383 1.278 20 30 EDEDLO Cc1nonc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032709224 706781807 /nfs/dbraw/zinc/78/18/07/706781807.db2.gz VLXOMLABXVDRQT-HOTGVXAUSA-N 1 2 337.383 1.278 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2nnc(C(F)F)s2)C(C)(C)C1 ZINC000995580324 704051434 /nfs/dbraw/zinc/05/14/34/704051434.db2.gz KPQKRMLODWWMAM-IUCAKERBSA-N 1 2 343.403 1.962 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001033120122 704450149 /nfs/dbraw/zinc/45/01/49/704450149.db2.gz NSUMPQYWFQBIAU-KBPBESRZSA-N 1 2 327.856 1.529 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001033120122 704450151 /nfs/dbraw/zinc/45/01/51/704450151.db2.gz NSUMPQYWFQBIAU-KBPBESRZSA-N 1 2 327.856 1.529 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000944997643 704905920 /nfs/dbraw/zinc/90/59/20/704905920.db2.gz OAGVIOAJFOJFLL-UHFFFAOYSA-N 1 2 330.432 1.546 20 30 EDEDLO N#Cc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)Cc2c[nH+]c[nH]2)c(F)c1 ZINC001032652150 706587935 /nfs/dbraw/zinc/58/79/35/706587935.db2.gz MBECKIVVPOBXEK-HOTGVXAUSA-N 1 2 339.374 1.448 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001033294565 707417450 /nfs/dbraw/zinc/41/74/50/707417450.db2.gz AYDCMMARTZJVED-AWEZNQCLSA-N 1 2 346.822 1.561 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cncc(-n3ccnn3)c2)C1 ZINC001033294565 707417452 /nfs/dbraw/zinc/41/74/52/707417452.db2.gz AYDCMMARTZJVED-AWEZNQCLSA-N 1 2 346.822 1.561 20 30 EDEDLO Cc1n[nH]nc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033317275 707503417 /nfs/dbraw/zinc/50/34/17/707503417.db2.gz BRSPSJXBNVZEHV-CQSZACIVSA-N 1 2 342.378 1.470 20 30 EDEDLO Cc1n[nH]nc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033317275 707503419 /nfs/dbraw/zinc/50/34/19/707503419.db2.gz BRSPSJXBNVZEHV-CQSZACIVSA-N 1 2 342.378 1.470 20 30 EDEDLO Cc1n[nH]nc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033317274 707503433 /nfs/dbraw/zinc/50/34/33/707503433.db2.gz BRSPSJXBNVZEHV-AWEZNQCLSA-N 1 2 342.378 1.470 20 30 EDEDLO Cc1n[nH]nc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033317274 707503436 /nfs/dbraw/zinc/50/34/36/707503436.db2.gz BRSPSJXBNVZEHV-AWEZNQCLSA-N 1 2 342.378 1.470 20 30 EDEDLO CN(C(=O)[C@]1(F)CCOC1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033371620 707706478 /nfs/dbraw/zinc/70/64/78/707706478.db2.gz WGFPFEFHEKNEBS-YJBOKZPZSA-N 1 2 349.381 1.859 20 30 EDEDLO CN(C(=O)[C@]1(F)CCOC1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033371620 707706481 /nfs/dbraw/zinc/70/64/81/707706481.db2.gz WGFPFEFHEKNEBS-YJBOKZPZSA-N 1 2 349.381 1.859 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cnccc2C)nc1 ZINC001032738121 707763307 /nfs/dbraw/zinc/76/33/07/707763307.db2.gz QQCOXBXIWBOPGR-ROUUACIJSA-N 1 2 332.407 1.865 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cnccc2C)nc1 ZINC001032738121 707763309 /nfs/dbraw/zinc/76/33/09/707763309.db2.gz QQCOXBXIWBOPGR-ROUUACIJSA-N 1 2 332.407 1.865 20 30 EDEDLO C=CCCC(=O)N1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001060939207 707987660 /nfs/dbraw/zinc/98/76/60/707987660.db2.gz MMKQCDWLHNNFGZ-UHFFFAOYSA-N 1 2 330.432 1.760 20 30 EDEDLO C=CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001061663760 708111967 /nfs/dbraw/zinc/11/19/67/708111967.db2.gz QQHDXQHIRQNITF-HNNXBMFYSA-N 1 2 348.447 1.288 20 30 EDEDLO C=CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001061663760 708111969 /nfs/dbraw/zinc/11/19/69/708111969.db2.gz QQHDXQHIRQNITF-HNNXBMFYSA-N 1 2 348.447 1.288 20 30 EDEDLO CN(C(=O)c1ncccn1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033521495 708160464 /nfs/dbraw/zinc/16/04/64/708160464.db2.gz AUYVBTWVQNCTOM-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO CN(C(=O)c1ncccn1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033521495 708160466 /nfs/dbraw/zinc/16/04/66/708160466.db2.gz AUYVBTWVQNCTOM-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(F)cn3)C2)nc1 ZINC001033592591 708291761 /nfs/dbraw/zinc/29/17/61/708291761.db2.gz GZCCKHXGEHGBMC-QGZVFWFLSA-N 1 2 338.386 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)nc1 ZINC001033592591 708291762 /nfs/dbraw/zinc/29/17/62/708291762.db2.gz GZCCKHXGEHGBMC-QGZVFWFLSA-N 1 2 338.386 1.944 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001033678008 708486630 /nfs/dbraw/zinc/48/66/30/708486630.db2.gz APUWXRGNMQJYKN-KBPBESRZSA-N 1 2 337.855 1.434 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001033678008 708486631 /nfs/dbraw/zinc/48/66/31/708486631.db2.gz APUWXRGNMQJYKN-KBPBESRZSA-N 1 2 337.855 1.434 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033801882 708794846 /nfs/dbraw/zinc/79/48/46/708794846.db2.gz MGBLEBAGHILMFM-INIZCTEOSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033801882 708794850 /nfs/dbraw/zinc/79/48/50/708794850.db2.gz MGBLEBAGHILMFM-INIZCTEOSA-N 1 2 327.388 1.919 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C(N)=O)co2)C1 ZINC001033949857 709129804 /nfs/dbraw/zinc/12/98/04/709129804.db2.gz MSOGRNCPOKQNKG-GFCCVEGCSA-N 1 2 325.796 1.667 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C(N)=O)co2)C1 ZINC001033949857 709129807 /nfs/dbraw/zinc/12/98/07/709129807.db2.gz MSOGRNCPOKQNKG-GFCCVEGCSA-N 1 2 325.796 1.667 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001034033395 709262904 /nfs/dbraw/zinc/26/29/04/709262904.db2.gz XNGVOYSJLIASTB-HUUCEWRRSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001034033395 709262905 /nfs/dbraw/zinc/26/29/05/709262905.db2.gz XNGVOYSJLIASTB-HUUCEWRRSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001002782944 709388741 /nfs/dbraw/zinc/38/87/41/709388741.db2.gz TXDMHULZOLIBNL-KXBFYZLASA-N 1 2 344.459 1.622 20 30 EDEDLO Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1C ZINC001034164702 709437845 /nfs/dbraw/zinc/43/78/45/709437845.db2.gz RKIWGVXUGDZAQE-OAHLLOKOSA-N 1 2 340.431 1.713 20 30 EDEDLO Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)nn1C ZINC001034164702 709437847 /nfs/dbraw/zinc/43/78/47/709437847.db2.gz RKIWGVXUGDZAQE-OAHLLOKOSA-N 1 2 340.431 1.713 20 30 EDEDLO Cn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034166188 709440034 /nfs/dbraw/zinc/44/00/34/709440034.db2.gz TWAPEWKHWGQPIU-CQSZACIVSA-N 1 2 326.404 1.404 20 30 EDEDLO Cn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034166188 709440037 /nfs/dbraw/zinc/44/00/37/709440037.db2.gz TWAPEWKHWGQPIU-CQSZACIVSA-N 1 2 326.404 1.404 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(CNC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001003208749 710119099 /nfs/dbraw/zinc/11/90/99/710119099.db2.gz YQCMBTQCIMOSCT-UHFFFAOYSA-N 1 2 338.411 1.879 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccnc3nc(C)nn32)C1 ZINC001034484741 710129876 /nfs/dbraw/zinc/12/98/76/710129876.db2.gz BLWTVPDIJKZRMA-ZDUSSCGKSA-N 1 2 348.838 1.770 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccnc3nc(C)nn32)C1 ZINC001034484741 710129879 /nfs/dbraw/zinc/12/98/79/710129879.db2.gz BLWTVPDIJKZRMA-ZDUSSCGKSA-N 1 2 348.838 1.770 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001061755950 710157464 /nfs/dbraw/zinc/15/74/64/710157464.db2.gz VJKRQXXTWXBJDQ-LSDHHAIUSA-N 1 2 348.447 1.390 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3cnns3)CC2)cc1 ZINC001003412658 710322523 /nfs/dbraw/zinc/32/25/23/710322523.db2.gz PGANGQLGBKUIKJ-UHFFFAOYSA-N 1 2 326.425 1.914 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001003763652 710541638 /nfs/dbraw/zinc/54/16/38/710541638.db2.gz QIITVQUMVZLPLE-ROUUACIJSA-N 1 2 346.475 1.872 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032915973 710730243 /nfs/dbraw/zinc/73/02/43/710730243.db2.gz IAKJSKRUURYXOG-CYBMUJFWSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032915973 710730248 /nfs/dbraw/zinc/73/02/48/710730248.db2.gz IAKJSKRUURYXOG-CYBMUJFWSA-N 1 2 345.403 1.895 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC001032927517 710790204 /nfs/dbraw/zinc/79/02/04/710790204.db2.gz XVDCNVLUXNZAMT-HNNXBMFYSA-N 1 2 339.399 1.636 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC001032927517 710790208 /nfs/dbraw/zinc/79/02/08/710790208.db2.gz XVDCNVLUXNZAMT-HNNXBMFYSA-N 1 2 339.399 1.636 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922323678 711001434 /nfs/dbraw/zinc/00/14/34/711001434.db2.gz FVBMMOOHUNKOCZ-XHSDSOJGSA-N 1 2 325.453 1.378 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3nnc(C)o3)CC2)nc1 ZINC001004005131 711247721 /nfs/dbraw/zinc/24/77/21/711247721.db2.gz TZJUSZYWQOJOJZ-GFCCVEGCSA-N 1 2 339.399 1.710 20 30 EDEDLO Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)nn1C ZINC001033023728 711380587 /nfs/dbraw/zinc/38/05/87/711380587.db2.gz XFTBRLWAOZKFIW-HNNXBMFYSA-N 1 2 326.404 1.275 20 30 EDEDLO Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)nn1C ZINC001033023728 711380590 /nfs/dbraw/zinc/38/05/90/711380590.db2.gz XFTBRLWAOZKFIW-HNNXBMFYSA-N 1 2 326.404 1.275 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2nc3nccc(C)n3n2)CC1 ZINC001004091963 711454688 /nfs/dbraw/zinc/45/46/88/711454688.db2.gz AGFKMQGSIVPHRA-UHFFFAOYSA-N 1 2 334.811 1.379 20 30 EDEDLO C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001061410327 711573960 /nfs/dbraw/zinc/57/39/60/711573960.db2.gz OFLAXJBNQOYSHS-ZIAGYGMSSA-N 1 2 346.431 1.139 20 30 EDEDLO CC(=O)N1CCC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004474887 711851724 /nfs/dbraw/zinc/85/17/24/711851724.db2.gz FTNGEWXTWRDHJD-MSOLQXFVSA-N 1 2 346.475 1.471 20 30 EDEDLO CC(=O)N1CCC[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004474887 711851725 /nfs/dbraw/zinc/85/17/25/711851725.db2.gz FTNGEWXTWRDHJD-MSOLQXFVSA-N 1 2 346.475 1.471 20 30 EDEDLO CN(C)c1ccnc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1 ZINC001004624264 712072092 /nfs/dbraw/zinc/07/20/92/712072092.db2.gz KELQFIXXXWLNTQ-GOSISDBHSA-N 1 2 341.459 1.988 20 30 EDEDLO CN(C)c1ccnc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1 ZINC001004624264 712072094 /nfs/dbraw/zinc/07/20/94/712072094.db2.gz KELQFIXXXWLNTQ-GOSISDBHSA-N 1 2 341.459 1.988 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001004620919 712082772 /nfs/dbraw/zinc/08/27/72/712082772.db2.gz SPXZXOSCVCQMCQ-HOTGVXAUSA-N 1 2 342.447 1.067 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001004620919 712082774 /nfs/dbraw/zinc/08/27/74/712082774.db2.gz SPXZXOSCVCQMCQ-HOTGVXAUSA-N 1 2 342.447 1.067 20 30 EDEDLO C=C[C@@H](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001061544003 712335844 /nfs/dbraw/zinc/33/58/44/712335844.db2.gz YYVDVVAINXZJBG-GJZGRUSLSA-N 1 2 348.447 1.288 20 30 EDEDLO C=CCn1nnnc1SC[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000052911563 214153930 /nfs/dbraw/zinc/15/39/30/214153930.db2.gz ABQCWKMMGPQOMK-ZDUSSCGKSA-N 1 2 344.444 1.979 20 30 EDEDLO O=C(Nc1nccn1-c1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000328754307 539362130 /nfs/dbraw/zinc/36/21/30/539362130.db2.gz SGBPKUXMDCOIFJ-INIZCTEOSA-N 1 2 341.415 1.824 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCN(c2cccnn2)CC1 ZINC000328851790 539372126 /nfs/dbraw/zinc/37/21/26/539372126.db2.gz SBHGRRFZGILXJU-UHFFFAOYSA-N 1 2 341.419 1.246 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000329016197 539390483 /nfs/dbraw/zinc/39/04/83/539390483.db2.gz QLJBXQHPIHPUBA-HNNXBMFYSA-N 1 2 347.463 1.705 20 30 EDEDLO C=CCOc1cccc(NC(=O)N(CCO)CC[NH+]2CCOCC2)c1 ZINC000444634383 539398092 /nfs/dbraw/zinc/39/80/92/539398092.db2.gz AGDILVKTVBJYKO-UHFFFAOYSA-N 1 2 349.431 1.410 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC000329497584 539440032 /nfs/dbraw/zinc/44/00/32/539440032.db2.gz XOXFHMPSLVWWRH-KRWDZBQOSA-N 1 2 344.459 1.107 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC000329497584 539440035 /nfs/dbraw/zinc/44/00/35/539440035.db2.gz XOXFHMPSLVWWRH-KRWDZBQOSA-N 1 2 344.459 1.107 20 30 EDEDLO Cc1noc(-c2ccccc2C(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000329640380 539452128 /nfs/dbraw/zinc/45/21/28/539452128.db2.gz ZUOXAZLAEHZMGZ-CYBMUJFWSA-N 1 2 329.404 1.595 20 30 EDEDLO Cc1noc(-c2ccccc2C(=O)NC[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000329640380 539452131 /nfs/dbraw/zinc/45/21/31/539452131.db2.gz ZUOXAZLAEHZMGZ-CYBMUJFWSA-N 1 2 329.404 1.595 20 30 EDEDLO N#CCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000066494398 215047784 /nfs/dbraw/zinc/04/77/84/215047784.db2.gz BGMXAKMGQJOKEN-UHFFFAOYSA-N 1 2 333.367 1.051 20 30 EDEDLO Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)c3[nH]cc[nH+]3)CC2)o1 ZINC000560701038 306277655 /nfs/dbraw/zinc/27/76/55/306277655.db2.gz ZKBSCHXLEBKQRJ-SNVBAGLBSA-N 1 2 328.376 1.672 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)NCCCCn2cc[nH+]c2)c(F)c1 ZINC000562313278 306294736 /nfs/dbraw/zinc/29/47/36/306294736.db2.gz HNMBRKDYKKCQPR-UHFFFAOYSA-N 1 2 336.392 1.794 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178752937 138745513 /nfs/dbraw/zinc/74/55/13/138745513.db2.gz MCCVEYMETAQTKA-HNNXBMFYSA-N 1 2 349.394 1.595 20 30 EDEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000174115737 237277166 /nfs/dbraw/zinc/27/71/66/237277166.db2.gz YJIUBAZXDMAXQF-CQSZACIVSA-N 1 2 343.387 1.180 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnc4cccnn34)CC2)cc1 ZINC000565063982 306374194 /nfs/dbraw/zinc/37/41/94/306374194.db2.gz HNSAOWNOWDNYJP-UHFFFAOYSA-N 1 2 346.394 1.559 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCO[C@H]([C@H]4CCCO4)C3)C2=O)cc1 ZINC000247471822 139149706 /nfs/dbraw/zinc/14/97/06/139149706.db2.gz VIYCUANPAKLYAF-KSZLIROESA-N 1 2 341.411 1.543 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCO[C@H]([C@H]4CCCO4)C3)C2=O)cc1 ZINC000247471822 139149707 /nfs/dbraw/zinc/14/97/07/139149707.db2.gz VIYCUANPAKLYAF-KSZLIROESA-N 1 2 341.411 1.543 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000012141519 211303379 /nfs/dbraw/zinc/30/33/79/211303379.db2.gz AWWLSBFFWGTPGS-UHFFFAOYSA-N 1 2 341.436 1.895 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000012141519 211303380 /nfs/dbraw/zinc/30/33/80/211303380.db2.gz AWWLSBFFWGTPGS-UHFFFAOYSA-N 1 2 341.436 1.895 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000336929069 249954957 /nfs/dbraw/zinc/95/49/57/249954957.db2.gz YAUJSKUEYSVITM-ZDUSSCGKSA-N 1 2 335.433 1.459 20 30 EDEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1O ZINC000091936665 218091739 /nfs/dbraw/zinc/09/17/39/218091739.db2.gz SOAFERZSQCTXAJ-CYBMUJFWSA-N 1 2 339.399 1.773 20 30 EDEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1O ZINC000091936665 218091740 /nfs/dbraw/zinc/09/17/40/218091740.db2.gz SOAFERZSQCTXAJ-CYBMUJFWSA-N 1 2 339.399 1.773 20 30 EDEDLO N#CC1CC[NH+]([C@H]2CC(=O)N(CCc3ccccc3F)C2=O)CC1 ZINC000352277717 250078481 /nfs/dbraw/zinc/07/84/81/250078481.db2.gz FISHEKXEJLRCKL-INIZCTEOSA-N 1 2 329.375 1.731 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)NCC(C)(C)CCC#N)CC2)cn1 ZINC000358734142 250142647 /nfs/dbraw/zinc/14/26/47/250142647.db2.gz MLSCQCLRNSAXIY-UHFFFAOYSA-N 1 2 332.452 1.577 20 30 EDEDLO CCc1nnc(C2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)[nH]1 ZINC000362080225 250178344 /nfs/dbraw/zinc/17/83/44/250178344.db2.gz XBXYSSKRJIVSJL-SCLBCKFNSA-N 1 2 346.479 1.989 20 30 EDEDLO CCc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)n1 ZINC000362080225 250178346 /nfs/dbraw/zinc/17/83/46/250178346.db2.gz XBXYSSKRJIVSJL-SCLBCKFNSA-N 1 2 346.479 1.989 20 30 EDEDLO CCc1nc(C2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)n[nH]1 ZINC000362080225 250178350 /nfs/dbraw/zinc/17/83/50/250178350.db2.gz XBXYSSKRJIVSJL-SCLBCKFNSA-N 1 2 346.479 1.989 20 30 EDEDLO N#CCC1(CNC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000373719848 250243366 /nfs/dbraw/zinc/24/33/66/250243366.db2.gz MWXXBDLMLBMTFD-MRXNPFEDSA-N 1 2 338.477 1.187 20 30 EDEDLO C[C@@H](O)c1cn(C2C[NH+](Cc3ccc(O[C@H](C)C#N)cc3)C2)nn1 ZINC000374805178 250272968 /nfs/dbraw/zinc/27/29/68/250272968.db2.gz HGRXZTZHFJXXQS-CHWSQXEVSA-N 1 2 327.388 1.679 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1)C1CC1 ZINC000374880119 250273931 /nfs/dbraw/zinc/27/39/31/250273931.db2.gz KRHRLGHAVIOMRM-ZWKOTPCHSA-N 1 2 331.391 1.527 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1)C1CC1 ZINC000374880119 250273934 /nfs/dbraw/zinc/27/39/34/250273934.db2.gz KRHRLGHAVIOMRM-ZWKOTPCHSA-N 1 2 331.391 1.527 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000374850419 250274088 /nfs/dbraw/zinc/27/40/88/250274088.db2.gz LVCVHDWJFUIZDW-AWEZNQCLSA-N 1 2 331.416 1.898 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOc2cc(OC)ccc2C1 ZINC000374850419 250274093 /nfs/dbraw/zinc/27/40/93/250274093.db2.gz LVCVHDWJFUIZDW-AWEZNQCLSA-N 1 2 331.416 1.898 20 30 EDEDLO C#CCCOc1ccc(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)cc1 ZINC000374829651 250274448 /nfs/dbraw/zinc/27/44/48/250274448.db2.gz UWXOBNQLZNBUFM-AWEZNQCLSA-N 1 2 326.400 1.790 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000410482982 250325367 /nfs/dbraw/zinc/32/53/67/250325367.db2.gz LKFIEZGPUKBPCR-UHFFFAOYSA-N 1 2 345.443 1.374 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000410816123 250379742 /nfs/dbraw/zinc/37/97/42/250379742.db2.gz UVUSKWLMCCOFEK-HNNXBMFYSA-N 1 2 344.459 1.960 20 30 EDEDLO COC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000008470589 210954538 /nfs/dbraw/zinc/95/45/38/210954538.db2.gz MIEURMROHAYLIK-UHFFFAOYSA-N 1 2 329.400 1.818 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488748943 255052444 /nfs/dbraw/zinc/05/24/44/255052444.db2.gz QKQAIWVYZXZVAO-HZPDHXFCSA-N 1 2 349.479 1.072 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488748943 255052445 /nfs/dbraw/zinc/05/24/45/255052445.db2.gz QKQAIWVYZXZVAO-HZPDHXFCSA-N 1 2 349.479 1.072 20 30 EDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000489489182 255068690 /nfs/dbraw/zinc/06/86/90/255068690.db2.gz YXNPWUGNYABEDD-ZDUSSCGKSA-N 1 2 337.445 1.621 20 30 EDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000489489182 255068691 /nfs/dbraw/zinc/06/86/91/255068691.db2.gz YXNPWUGNYABEDD-ZDUSSCGKSA-N 1 2 337.445 1.621 20 30 EDEDLO Cc1cccn2cc(CNS(=O)(=O)c3cnc(C)c(C#N)c3)[nH+]c12 ZINC000489671596 255070624 /nfs/dbraw/zinc/07/06/24/255070624.db2.gz JWILKKDEZZGANZ-UHFFFAOYSA-N 1 2 341.396 1.696 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCCO2)CC1 ZINC000491066494 255117408 /nfs/dbraw/zinc/11/74/08/255117408.db2.gz CPPVMEIHRFOLOL-HOTGVXAUSA-N 1 2 331.464 1.726 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@](C)(c3ccc(F)cc3)C2=O)CC1 ZINC000491623075 255132423 /nfs/dbraw/zinc/13/24/23/255132423.db2.gz IITBDTZFMJDYNR-LJQANCHMSA-N 1 2 343.402 1.051 20 30 EDEDLO C#CC[N@@H+](CCOCC(F)(F)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000490738426 255103695 /nfs/dbraw/zinc/10/36/95/255103695.db2.gz ACPQTBZCLOWCMI-SNVBAGLBSA-N 1 2 349.321 1.323 20 30 EDEDLO C#CC[N@H+](CCOCC(F)(F)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000490738426 255103696 /nfs/dbraw/zinc/10/36/96/255103696.db2.gz ACPQTBZCLOWCMI-SNVBAGLBSA-N 1 2 349.321 1.323 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc3c2cccc3[N+](=O)[O-])CC1 ZINC000490781153 255107104 /nfs/dbraw/zinc/10/71/04/255107104.db2.gz XIDVWOYPZSFPLD-UHFFFAOYSA-N 1 2 326.356 1.327 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C(=O)OC)c2Cl)CC1 ZINC000491693402 255142021 /nfs/dbraw/zinc/14/20/21/255142021.db2.gz UBCRXJCEXLTXSZ-UHFFFAOYSA-N 1 2 349.818 1.316 20 30 EDEDLO C#C[C@H](CC)NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000491775317 255146826 /nfs/dbraw/zinc/14/68/26/255146826.db2.gz BFJPUJRLNUIZPQ-QGZVFWFLSA-N 1 2 348.491 1.422 20 30 EDEDLO C#C[C@H](CC)NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000491625998 255133249 /nfs/dbraw/zinc/13/32/49/255133249.db2.gz ICELOUFCTGZIIN-GDBMZVCRSA-N 1 2 343.427 1.546 20 30 EDEDLO COc1cc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc(OC)c1OC ZINC000493268143 255200421 /nfs/dbraw/zinc/20/04/21/255200421.db2.gz ZKFJHNPKGDZPQM-DVBCCOPCSA-N 1 2 347.415 1.686 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1C#N ZINC000495916404 255335589 /nfs/dbraw/zinc/33/55/89/255335589.db2.gz WENQNDXDBLIOBL-CYBMUJFWSA-N 1 2 331.372 1.617 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1C#N ZINC000495916404 255335590 /nfs/dbraw/zinc/33/55/90/255335590.db2.gz WENQNDXDBLIOBL-CYBMUJFWSA-N 1 2 331.372 1.617 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496297522 255377200 /nfs/dbraw/zinc/37/72/00/255377200.db2.gz VOQXLUTXZDBCCJ-ZDUSSCGKSA-N 1 2 325.453 1.866 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496297522 255377201 /nfs/dbraw/zinc/37/72/01/255377201.db2.gz VOQXLUTXZDBCCJ-ZDUSSCGKSA-N 1 2 325.453 1.866 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H](C)C1 ZINC000352641122 285330196 /nfs/dbraw/zinc/33/01/96/285330196.db2.gz OCMXYBIVMBWLQT-LLVKDONJSA-N 1 2 338.389 1.181 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H](C)C1 ZINC000352641122 285330200 /nfs/dbraw/zinc/33/02/00/285330200.db2.gz OCMXYBIVMBWLQT-LLVKDONJSA-N 1 2 338.389 1.181 20 30 EDEDLO CCN1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000348420308 285332498 /nfs/dbraw/zinc/33/24/98/285332498.db2.gz KMGKBIWFLIOXPT-HZPDHXFCSA-N 1 2 338.415 1.187 20 30 EDEDLO N#Cc1ccc2c(c1)N(C(=O)C[NH+]1CCN(c3ccccn3)CC1)CC2 ZINC000270296021 140075344 /nfs/dbraw/zinc/07/53/44/140075344.db2.gz WKGZPGSDHTVGRW-UHFFFAOYSA-N 1 2 347.422 1.665 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270748671 140161259 /nfs/dbraw/zinc/16/12/59/140161259.db2.gz OEXLOXHYZNSIGQ-SKDRFNHKSA-N 1 2 335.795 1.281 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270748671 140161261 /nfs/dbraw/zinc/16/12/61/140161261.db2.gz OEXLOXHYZNSIGQ-SKDRFNHKSA-N 1 2 335.795 1.281 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC(CCC(N)=O)CC2)c(C#N)c1C ZINC000270982847 140213387 /nfs/dbraw/zinc/21/33/87/140213387.db2.gz ABKQJILTESCHFM-UHFFFAOYSA-N 1 2 332.404 1.684 20 30 EDEDLO N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000333102898 141264261 /nfs/dbraw/zinc/26/42/61/141264261.db2.gz VPMTUVJSBJLRIF-OAHLLOKOSA-N 1 2 336.399 1.061 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccncc3)CC2)cc1 ZINC000340220973 142309562 /nfs/dbraw/zinc/30/95/62/142309562.db2.gz RPOKOFFIYGDQMH-UHFFFAOYSA-N 1 2 335.411 1.131 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000345135431 143055763 /nfs/dbraw/zinc/05/57/63/143055763.db2.gz QUOZMWOTZTVDMU-ZDUSSCGKSA-N 1 2 340.383 1.664 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000345135431 143055764 /nfs/dbraw/zinc/05/57/64/143055764.db2.gz QUOZMWOTZTVDMU-ZDUSSCGKSA-N 1 2 340.383 1.664 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000352671427 149110058 /nfs/dbraw/zinc/11/00/58/149110058.db2.gz NJQMWDTWCWWXJW-OCCSQVGLSA-N 1 2 341.333 1.989 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000352671427 149110061 /nfs/dbraw/zinc/11/00/61/149110061.db2.gz NJQMWDTWCWWXJW-OCCSQVGLSA-N 1 2 341.333 1.989 20 30 EDEDLO C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370118365 155332492 /nfs/dbraw/zinc/33/24/92/155332492.db2.gz ALQJFVUFIJDPKK-SNVBAGLBSA-N 1 2 331.405 1.270 20 30 EDEDLO Cc1cccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1C#N ZINC000365017369 153398973 /nfs/dbraw/zinc/39/89/73/153398973.db2.gz JKHOQXKMLQPFEK-HOTGVXAUSA-N 1 2 349.456 1.086 20 30 EDEDLO CCS(=O)(=O)NCCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367122491 154014919 /nfs/dbraw/zinc/01/49/19/154014919.db2.gz BRLOGTPJFDPONL-INIZCTEOSA-N 1 2 337.445 1.261 20 30 EDEDLO CCS(=O)(=O)NCCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367122491 154014923 /nfs/dbraw/zinc/01/49/23/154014923.db2.gz BRLOGTPJFDPONL-INIZCTEOSA-N 1 2 337.445 1.261 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@H+](CCCOC(=O)NC(N)=O)CCO2)c1 ZINC000367549564 154171924 /nfs/dbraw/zinc/17/19/24/154171924.db2.gz LEDOOUXNWYAXOD-CQSZACIVSA-N 1 2 332.360 1.127 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@@H+](CCCOC(=O)NC(N)=O)CCO2)c1 ZINC000367549564 154171927 /nfs/dbraw/zinc/17/19/27/154171927.db2.gz LEDOOUXNWYAXOD-CQSZACIVSA-N 1 2 332.360 1.127 20 30 EDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@H+]1C ZINC000408083263 158261175 /nfs/dbraw/zinc/26/11/75/158261175.db2.gz ISDZYKCAYZYQMG-MNOVXSKESA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@@H+]1C ZINC000408083263 158261178 /nfs/dbraw/zinc/26/11/78/158261178.db2.gz ISDZYKCAYZYQMG-MNOVXSKESA-N 1 2 327.837 1.925 20 30 EDEDLO COC(=O)[C@H](c1ccccc1F)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943449 287325743 /nfs/dbraw/zinc/32/57/43/287325743.db2.gz FRSGCWQYERHQFJ-HNNXBMFYSA-N 1 2 345.378 1.781 20 30 EDEDLO COC(=O)[C@H](c1ccccc1F)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943449 287325744 /nfs/dbraw/zinc/32/57/44/287325744.db2.gz FRSGCWQYERHQFJ-HNNXBMFYSA-N 1 2 345.378 1.781 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159344920 225198194 /nfs/dbraw/zinc/19/81/94/225198194.db2.gz SCOOMIQXMBMBQA-AWEZNQCLSA-N 1 2 328.397 1.510 20 30 EDEDLO Cc1cccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1C#N ZINC000159380562 225206909 /nfs/dbraw/zinc/20/69/09/225206909.db2.gz ZTCIIIQENUHIER-CQSZACIVSA-N 1 2 342.424 1.819 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000122692309 222139570 /nfs/dbraw/zinc/13/95/70/222139570.db2.gz KXZMEIZZQPRJOG-UKRRQHHQSA-N 1 2 337.445 1.024 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O ZINC000122692309 222139572 /nfs/dbraw/zinc/13/95/72/222139572.db2.gz KXZMEIZZQPRJOG-UKRRQHHQSA-N 1 2 337.445 1.024 20 30 EDEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C[N@@H+]1C1CC1 ZINC000124005686 222363546 /nfs/dbraw/zinc/36/35/46/222363546.db2.gz VPZCFMSWFONAGO-MWLCHTKSSA-N 1 2 341.383 1.740 20 30 EDEDLO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C[N@H+]1C1CC1 ZINC000124005686 222363548 /nfs/dbraw/zinc/36/35/48/222363548.db2.gz VPZCFMSWFONAGO-MWLCHTKSSA-N 1 2 341.383 1.740 20 30 EDEDLO CCCn1cc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 ZINC000471813811 270014195 /nfs/dbraw/zinc/01/41/95/270014195.db2.gz YKQZFGBMGWDJIR-UHFFFAOYSA-N 1 2 327.436 1.529 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Cc1ccc(C#N)nc1 ZINC000528865316 270015717 /nfs/dbraw/zinc/01/57/17/270015717.db2.gz XEIPUHKMWISCGV-UHFFFAOYSA-N 1 2 337.383 1.675 20 30 EDEDLO C[C@@H]1CCN(S(=O)(=O)c2cccnc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000276973896 267024662 /nfs/dbraw/zinc/02/46/62/267024662.db2.gz DYMGTVPKSNZLOO-TZMCWYRMSA-N 1 2 331.401 1.422 20 30 EDEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)cc1OC(F)F ZINC000437148352 267297349 /nfs/dbraw/zinc/29/73/49/267297349.db2.gz HIZWEUVGXBBEBG-UHFFFAOYSA-N 1 2 339.342 1.450 20 30 EDEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)cc1OC(F)F ZINC000437148352 267297352 /nfs/dbraw/zinc/29/73/52/267297352.db2.gz HIZWEUVGXBBEBG-UHFFFAOYSA-N 1 2 339.342 1.450 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000290216196 267392900 /nfs/dbraw/zinc/39/29/00/267392900.db2.gz OFCWPKBPVCXGOH-GDBMZVCRSA-N 1 2 349.456 1.350 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@](F)(CO)C3)C2=O)cc1 ZINC000286815614 268110877 /nfs/dbraw/zinc/11/08/77/268110877.db2.gz JYICPFMLUBQNBT-SJLPKXTDSA-N 1 2 331.391 1.850 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@](F)(CO)C3)C2=O)cc1 ZINC000286815614 268110879 /nfs/dbraw/zinc/11/08/79/268110879.db2.gz JYICPFMLUBQNBT-SJLPKXTDSA-N 1 2 331.391 1.850 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([NH2+]CN3CCC(=O)CC3)C2=O)cc1 ZINC000273150796 268114610 /nfs/dbraw/zinc/11/46/10/268114610.db2.gz YSVAOXKKQFUVNI-KRWDZBQOSA-N 1 2 326.400 1.266 20 30 EDEDLO N#Cc1c2c(cnc1N1CC[NH+](CC(=O)N3CCCC3)CC1)CCC2 ZINC000425201730 268169681 /nfs/dbraw/zinc/16/96/81/268169681.db2.gz ODRHGDJCENVTEZ-UHFFFAOYSA-N 1 2 339.443 1.186 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1O ZINC000525951375 268202708 /nfs/dbraw/zinc/20/27/08/268202708.db2.gz RQUKBCACRDOOFI-CVEARBPZSA-N 1 2 329.400 1.637 20 30 EDEDLO N#Cc1ccc2c(c1)N(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)CC2 ZINC000277621226 268221520 /nfs/dbraw/zinc/22/15/20/268221520.db2.gz BMZDNTDUVKWSSO-SFHVURJKSA-N 1 2 325.412 1.948 20 30 EDEDLO N#Cc1ccc2c(c1)N(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)CC2 ZINC000277621226 268221522 /nfs/dbraw/zinc/22/15/22/268221522.db2.gz BMZDNTDUVKWSSO-SFHVURJKSA-N 1 2 325.412 1.948 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)n1 ZINC000295541030 268293848 /nfs/dbraw/zinc/29/38/48/268293848.db2.gz OILWRHKWCCGHSZ-UHFFFAOYSA-N 1 2 348.410 1.060 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000491622031 277711000 /nfs/dbraw/zinc/71/10/00/277711000.db2.gz HANVPEFZCXNOOB-SWLSCSKDSA-N 1 2 337.370 1.611 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000373501640 278060581 /nfs/dbraw/zinc/06/05/81/278060581.db2.gz JJUBCWSAGVKCOS-UCLAIMLFSA-N 1 2 341.411 1.543 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 ZINC000373501640 278060583 /nfs/dbraw/zinc/06/05/83/278060583.db2.gz JJUBCWSAGVKCOS-UCLAIMLFSA-N 1 2 341.411 1.543 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000297966710 279180928 /nfs/dbraw/zinc/18/09/28/279180928.db2.gz XUNBYVZRGWIOSH-GDBMZVCRSA-N 1 2 328.416 1.120 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000297966710 279180929 /nfs/dbraw/zinc/18/09/29/279180929.db2.gz XUNBYVZRGWIOSH-GDBMZVCRSA-N 1 2 328.416 1.120 20 30 EDEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000495703121 289235549 /nfs/dbraw/zinc/23/55/49/289235549.db2.gz ZPKCEIUNOQHSLX-ZIAGYGMSSA-N 1 2 336.436 1.300 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOC4(CCCC4)C3)C[C@@H]21 ZINC000329081935 290078942 /nfs/dbraw/zinc/07/89/42/290078942.db2.gz RYJDLMPNIWTXGW-OWCLPIDISA-N 1 2 337.464 1.797 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCOC4(CCCC4)C3)C[C@@H]21 ZINC000329081935 290078944 /nfs/dbraw/zinc/07/89/44/290078944.db2.gz RYJDLMPNIWTXGW-OWCLPIDISA-N 1 2 337.464 1.797 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@]2(CCOC2)O1 ZINC000373796742 300237348 /nfs/dbraw/zinc/23/73/48/300237348.db2.gz LAEBDLCVHJWICO-MAUKXSAKSA-N 1 2 335.448 1.551 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@]2(CCOC2)O1 ZINC000373796742 300237352 /nfs/dbraw/zinc/23/73/52/300237352.db2.gz LAEBDLCVHJWICO-MAUKXSAKSA-N 1 2 335.448 1.551 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1 ZINC000448541524 447330914 /nfs/dbraw/zinc/33/09/14/447330914.db2.gz HJNLZWVRWSYKTE-UHFFFAOYSA-N 1 2 325.372 1.901 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000425910445 447358329 /nfs/dbraw/zinc/35/83/29/447358329.db2.gz VXXFRNMQIUDRPA-MJBXVCDLSA-N 1 2 332.404 1.171 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](N4CCCC4=O)C3)o2)c1 ZINC000536370943 306020380 /nfs/dbraw/zinc/02/03/80/306020380.db2.gz MASQDTQLYPISAZ-HNNXBMFYSA-N 1 2 337.383 1.805 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H](N4CCCC4=O)C3)o2)c1 ZINC000536370943 306020381 /nfs/dbraw/zinc/02/03/81/306020381.db2.gz MASQDTQLYPISAZ-HNNXBMFYSA-N 1 2 337.383 1.805 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000547417651 306100416 /nfs/dbraw/zinc/10/04/16/306100416.db2.gz SYVYTLQEDAHMFF-UHFFFAOYSA-N 1 2 341.371 1.251 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000550433102 306152794 /nfs/dbraw/zinc/15/27/94/306152794.db2.gz DXDRAFPLDFNGSY-UHFFFAOYSA-N 1 2 328.376 1.371 20 30 EDEDLO Cc1cccc2c1O[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C2 ZINC000449818049 447397023 /nfs/dbraw/zinc/39/70/23/447397023.db2.gz KBRAIWDHGDMGPL-QGZVFWFLSA-N 1 2 343.427 1.373 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(OC)cc3)[nH]c2=S)CC1 ZINC000044756557 440884743 /nfs/dbraw/zinc/88/47/43/440884743.db2.gz ATBKPCMMEDOFTR-UHFFFAOYSA-N 1 2 343.456 1.825 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000045184462 440960210 /nfs/dbraw/zinc/96/02/10/440960210.db2.gz ZBHXTKNNAWDOMN-DOTOQJQBSA-N 1 2 330.432 1.861 20 30 EDEDLO N#CC1(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCCCC1 ZINC000057432594 441114753 /nfs/dbraw/zinc/11/47/53/441114753.db2.gz XOJFDADHOKOJGQ-UHFFFAOYSA-N 1 2 342.447 1.189 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2nccn2C)CC1 ZINC000105930646 441318275 /nfs/dbraw/zinc/31/82/75/441318275.db2.gz VBGHIUTZKKJCAA-INIZCTEOSA-N 1 2 333.480 1.351 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000052309600 441446045 /nfs/dbraw/zinc/44/60/45/441446045.db2.gz DRAVLJUOGAIVNE-AWEZNQCLSA-N 1 2 333.436 1.109 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1COc2ccccc2O1 ZINC000052919758 441486661 /nfs/dbraw/zinc/48/66/61/441486661.db2.gz BPMKSKWCKYHZPF-OAHLLOKOSA-N 1 2 342.399 1.414 20 30 EDEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1COc2ccccc2O1 ZINC000052919758 441486664 /nfs/dbraw/zinc/48/66/64/441486664.db2.gz BPMKSKWCKYHZPF-OAHLLOKOSA-N 1 2 342.399 1.414 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)Cc1ccc(F)cc1 ZINC000065958047 441497542 /nfs/dbraw/zinc/49/75/42/441497542.db2.gz PBSJIMAPMHCJMG-UHFFFAOYSA-N 1 2 333.407 1.292 20 30 EDEDLO C#CC[N@H+](CC(=O)NCC(=O)NC(C)(C)C)Cc1ccc(F)cc1 ZINC000065958047 441497543 /nfs/dbraw/zinc/49/75/43/441497543.db2.gz PBSJIMAPMHCJMG-UHFFFAOYSA-N 1 2 333.407 1.292 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447250 441460349 /nfs/dbraw/zinc/46/03/49/441460349.db2.gz ZSVCTAXFPGZSMY-UHFFFAOYSA-N 1 2 327.432 1.500 20 30 EDEDLO CC(C)CNC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000052660801 441467698 /nfs/dbraw/zinc/46/76/98/441467698.db2.gz YPUCERHYXLIHAV-MRXNPFEDSA-N 1 2 328.460 1.837 20 30 EDEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000052660801 441467701 /nfs/dbraw/zinc/46/77/01/441467701.db2.gz YPUCERHYXLIHAV-MRXNPFEDSA-N 1 2 328.460 1.837 20 30 EDEDLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000054227397 441565501 /nfs/dbraw/zinc/56/55/01/441565501.db2.gz BODPOILSPTXEGI-AWEZNQCLSA-N 1 2 346.431 1.398 20 30 EDEDLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000054227397 441565504 /nfs/dbraw/zinc/56/55/04/441565504.db2.gz BODPOILSPTXEGI-AWEZNQCLSA-N 1 2 346.431 1.398 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000032830874 441574677 /nfs/dbraw/zinc/57/46/77/441574677.db2.gz UCCVBRRFROCWRO-DNVCBOLYSA-N 1 2 344.459 1.957 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000121565159 441732608 /nfs/dbraw/zinc/73/26/08/441732608.db2.gz QMAIGHXHNKDRQX-HNNXBMFYSA-N 1 2 335.429 1.223 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000121565159 441732611 /nfs/dbraw/zinc/73/26/11/441732611.db2.gz QMAIGHXHNKDRQX-HNNXBMFYSA-N 1 2 335.429 1.223 20 30 EDEDLO CC1CC[NH+](Cc2csc(NC(=O)Cn3cnc(C#N)n3)n2)CC1 ZINC000077231194 441738244 /nfs/dbraw/zinc/73/82/44/441738244.db2.gz LHQQEBPTJZLBEI-UHFFFAOYSA-N 1 2 345.432 1.477 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000068444731 441799828 /nfs/dbraw/zinc/79/98/28/441799828.db2.gz GJWZNQVUZMWFLH-UHFFFAOYSA-N 1 2 327.344 1.252 20 30 EDEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000143161175 441869294 /nfs/dbraw/zinc/86/92/94/441869294.db2.gz GEHAAYMVQNEYKX-RYUDHWBXSA-N 1 2 346.387 1.586 20 30 EDEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000143161175 441869299 /nfs/dbraw/zinc/86/92/99/441869299.db2.gz GEHAAYMVQNEYKX-RYUDHWBXSA-N 1 2 346.387 1.586 20 30 EDEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)C1 ZINC000094157360 441908931 /nfs/dbraw/zinc/90/89/31/441908931.db2.gz LIWAZIRQRLUJNM-DOTOQJQBSA-N 1 2 341.459 1.770 20 30 EDEDLO N#CCCn1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000118894370 441909787 /nfs/dbraw/zinc/90/97/87/441909787.db2.gz RUDQSYATENQNPH-UHFFFAOYSA-N 1 2 339.403 1.541 20 30 EDEDLO C=CCCS(=O)(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000119681391 441947940 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/nfs/dbraw/zinc/63/21/09/442632109.db2.gz MIMBUJYDPRQSAS-LLVKDONJSA-N 1 2 334.258 1.377 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000192836039 442691561 /nfs/dbraw/zinc/69/15/61/442691561.db2.gz AAWXXJNLSLLGHU-UHFFFAOYSA-N 1 2 347.378 1.971 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000181419574 442696323 /nfs/dbraw/zinc/69/63/23/442696323.db2.gz QKSKBOIWUOEDLF-HUUCEWRRSA-N 1 2 336.480 1.726 20 30 EDEDLO C=CCNC(=O)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000182335174 442758471 /nfs/dbraw/zinc/75/84/71/442758471.db2.gz WELNGCBREJGBRP-UHFFFAOYSA-N 1 2 343.387 1.386 20 30 EDEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1nnc2ccccn21 ZINC000182722389 442814130 /nfs/dbraw/zinc/81/41/30/442814130.db2.gz CUYUXTXBDADPJL-ZDUSSCGKSA-N 1 2 325.376 1.036 20 30 EDEDLO COC(=O)C[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268128364 442859595 /nfs/dbraw/zinc/85/95/95/442859595.db2.gz DSOLVMZEKDGNHF-AWEZNQCLSA-N 1 2 329.400 1.402 20 30 EDEDLO CC[C@H](CC#N)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000183971237 442979085 /nfs/dbraw/zinc/97/90/85/442979085.db2.gz JNRSHCHCRQWDIT-OAHLLOKOSA-N 1 2 343.431 1.319 20 30 EDEDLO C[C@H]1CN(C(=O)COc2ccc(C#N)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000266184471 443048759 /nfs/dbraw/zinc/04/87/59/443048759.db2.gz MFJKOLLTXMHACQ-WMLDXEAASA-N 1 2 329.400 1.116 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000253295801 443049479 /nfs/dbraw/zinc/04/94/79/443049479.db2.gz HEWXLNTUEHIYNL-OWQJAQGESA-N 1 2 337.464 1.387 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000253295801 443049480 /nfs/dbraw/zinc/04/94/80/443049480.db2.gz HEWXLNTUEHIYNL-OWQJAQGESA-N 1 2 337.464 1.387 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2[nH]c1=S ZINC000237999372 443191889 /nfs/dbraw/zinc/19/18/89/443191889.db2.gz FPDONJFYXIRDPB-LBPRGKRZSA-N 1 2 344.440 1.353 20 30 EDEDLO CC[S@](=O)CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000278623629 443382129 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C#CCN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000274122652 443596429 /nfs/dbraw/zinc/59/64/29/443596429.db2.gz NIXKSLKRQLBYGM-SFHVURJKSA-N 1 2 327.428 1.695 20 30 EDEDLO C#CCN(C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000274122652 443596434 /nfs/dbraw/zinc/59/64/34/443596434.db2.gz NIXKSLKRQLBYGM-SFHVURJKSA-N 1 2 327.428 1.695 20 30 EDEDLO C#CC[N@@H+](CC(=O)Nc1cc(-n2nnnc2C)ccc1F)C1CC1 ZINC000274226311 443599511 /nfs/dbraw/zinc/59/95/11/443599511.db2.gz VWDNBGMNPCIZHL-UHFFFAOYSA-N 1 2 328.351 1.146 20 30 EDEDLO C#CC[N@H+](CC(=O)Nc1cc(-n2nnnc2C)ccc1F)C1CC1 ZINC000274226311 443599514 /nfs/dbraw/zinc/59/95/14/443599514.db2.gz VWDNBGMNPCIZHL-UHFFFAOYSA-N 1 2 328.351 1.146 20 30 EDEDLO C#CC[N@@H+](CC1=C(C(=O)OCC)[C@H](c2ccco2)NC(=O)N1)C1CC1 ZINC000274230646 443599536 /nfs/dbraw/zinc/59/95/36/443599536.db2.gz WPSMDQLSTFBDSR-INIZCTEOSA-N 1 2 343.383 1.548 20 30 EDEDLO C#CC[N@H+](CC1=C(C(=O)OCC)[C@H](c2ccco2)NC(=O)N1)C1CC1 ZINC000274230646 443599541 /nfs/dbraw/zinc/59/95/41/443599541.db2.gz WPSMDQLSTFBDSR-INIZCTEOSA-N 1 2 343.383 1.548 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1nccnc1C#N ZINC000275733378 443640314 /nfs/dbraw/zinc/64/03/14/443640314.db2.gz PCRHLVNYSGIKQM-KBPBESRZSA-N 1 2 329.383 1.131 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1nccnc1C#N ZINC000275733378 443640315 /nfs/dbraw/zinc/64/03/15/443640315.db2.gz PCRHLVNYSGIKQM-KBPBESRZSA-N 1 2 329.383 1.131 20 30 EDEDLO C=CCNC(=O)CNc1cc(N[C@@H]2CCCO[C@H]2C(C)C)[nH+]cn1 ZINC000275806779 443643798 /nfs/dbraw/zinc/64/37/98/443643798.db2.gz VASYICAJPYUOHJ-DYVFJYSZSA-N 1 2 333.436 1.806 20 30 EDEDLO C=CCNC(=O)CNc1cc(N[C@@H]2CCCO[C@H]2C(C)C)nc[nH+]1 ZINC000275806779 443643799 /nfs/dbraw/zinc/64/37/99/443643799.db2.gz VASYICAJPYUOHJ-DYVFJYSZSA-N 1 2 333.436 1.806 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(COc3cccc(C)c3)n2C)CC1 ZINC000283569566 443663283 /nfs/dbraw/zinc/66/32/83/443663283.db2.gz RFULTXZFUWAZNB-UHFFFAOYSA-N 1 2 325.416 1.458 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(OC)c2)CC1 ZINC000276291238 443682503 /nfs/dbraw/zinc/68/25/03/443682503.db2.gz ZUQAMXKVFPVWLH-UHFFFAOYSA-N 1 2 326.393 1.164 20 30 EDEDLO C=CC[C@H]1N(C(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CCCC1(C)C ZINC000283785741 443719405 /nfs/dbraw/zinc/71/94/05/443719405.db2.gz GAMUWAFDGHCBAZ-HUUCEWRRSA-N 1 2 332.448 1.981 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)c2ccc(F)c(C#N)c2)CCN1C ZINC000286807590 443725357 /nfs/dbraw/zinc/72/53/57/443725357.db2.gz PFYQYCYXYNLIPU-OAHLLOKOSA-N 1 2 327.363 1.560 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc(OCC#N)c1 ZINC000286871905 443728443 /nfs/dbraw/zinc/72/84/43/443728443.db2.gz CXQRBSWSWXRQTE-HOCLYGCPSA-N 1 2 344.415 1.916 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)N(CCC#N)c1ccccc1)CCO2 ZINC000280546335 443736231 /nfs/dbraw/zinc/73/62/31/443736231.db2.gz UAQBFTQBFNHFDM-VQIMIIECSA-N 1 2 343.427 1.813 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)CCO2 ZINC000280546335 443736238 /nfs/dbraw/zinc/73/62/38/443736238.db2.gz UAQBFTQBFNHFDM-VQIMIIECSA-N 1 2 343.427 1.813 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000298286204 443738426 /nfs/dbraw/zinc/73/84/26/443738426.db2.gz CSNOERBRNIKTSQ-AWEZNQCLSA-N 1 2 333.407 1.664 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000298286204 443738429 /nfs/dbraw/zinc/73/84/29/443738429.db2.gz CSNOERBRNIKTSQ-AWEZNQCLSA-N 1 2 333.407 1.664 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000280960251 443783787 /nfs/dbraw/zinc/78/37/87/443783787.db2.gz YRKBAHZUDNTROI-STQMWFEESA-N 1 2 345.378 1.536 20 30 EDEDLO C=CCCCS(=O)(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000292206364 443783835 /nfs/dbraw/zinc/78/38/35/443783835.db2.gz GWQITFITSDZULZ-KBPBESRZSA-N 1 2 344.456 1.218 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@](O)(c3cn[nH]n3)C2)c1C ZINC000284789573 443789439 /nfs/dbraw/zinc/78/94/39/443789439.db2.gz LJPXZATUNJHPPG-QGZVFWFLSA-N 1 2 329.404 1.185 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@](O)(c3cn[nH]n3)C2)c1C ZINC000284789573 443789441 /nfs/dbraw/zinc/78/94/41/443789441.db2.gz LJPXZATUNJHPPG-QGZVFWFLSA-N 1 2 329.404 1.185 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000292327084 443790370 /nfs/dbraw/zinc/79/03/70/443790370.db2.gz MSNCLNCTGTYTIW-INIZCTEOSA-N 1 2 338.415 1.340 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000291519067 443760250 /nfs/dbraw/zinc/76/02/50/443760250.db2.gz UXJACFFYQMXVRG-ZDUSSCGKSA-N 1 2 327.363 1.574 20 30 EDEDLO Cc1ccc2ncc(C#N)c(N3CC[NH+](CC(=O)NC4CC4)CC3)c2c1 ZINC000291592972 443762541 /nfs/dbraw/zinc/76/25/41/443762541.db2.gz HTRICTKPCQKLON-UHFFFAOYSA-N 1 2 349.438 1.816 20 30 EDEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000284052442 443762686 /nfs/dbraw/zinc/76/26/86/443762686.db2.gz SWFUKQWTHAYEGL-INIZCTEOSA-N 1 2 340.427 1.993 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000291687696 443765136 /nfs/dbraw/zinc/76/51/36/443765136.db2.gz SDOIIUOZKXTWCD-DZGCQCFKSA-N 1 2 340.387 1.401 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000281062935 443808293 /nfs/dbraw/zinc/80/82/93/443808293.db2.gz RZVRPQFUVHVBMV-AWEZNQCLSA-N 1 2 341.371 1.063 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3c(F)cccc3F)C2=O)C1=O ZINC000281321626 443879289 /nfs/dbraw/zinc/87/92/89/443879289.db2.gz LHZPXTDCWWZSIO-CABCVRRESA-N 1 2 349.381 1.789 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3c(F)cccc3F)C2=O)C1=O ZINC000281321626 443879292 /nfs/dbraw/zinc/87/92/92/443879292.db2.gz LHZPXTDCWWZSIO-CABCVRRESA-N 1 2 349.381 1.789 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000281339839 443884749 /nfs/dbraw/zinc/88/47/49/443884749.db2.gz MLEFYEWUJCSHQE-OCCSQVGLSA-N 1 2 345.399 1.461 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000281339839 443884754 /nfs/dbraw/zinc/88/47/54/443884754.db2.gz MLEFYEWUJCSHQE-OCCSQVGLSA-N 1 2 345.399 1.461 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCc2cccc(OC)c2)C1=O ZINC000281381908 443895904 /nfs/dbraw/zinc/89/59/04/443895904.db2.gz PCJVYKILFYWUKZ-PBHICJAKSA-N 1 2 345.443 1.419 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCc2cccc(OC)c2)C1=O ZINC000281381908 443895907 /nfs/dbraw/zinc/89/59/07/443895907.db2.gz PCJVYKILFYWUKZ-PBHICJAKSA-N 1 2 345.443 1.419 20 30 EDEDLO COCC[NH+]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000281218773 443851592 /nfs/dbraw/zinc/85/15/92/443851592.db2.gz KFVUTAZOJDYPJB-UHFFFAOYSA-N 1 2 339.399 1.148 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)C1=O ZINC000281301482 443873113 /nfs/dbraw/zinc/87/31/13/443873113.db2.gz JXIYXRNLJAQBBN-MJGOQNOKSA-N 1 2 341.455 1.973 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CC2)C1=O ZINC000281301482 443873118 /nfs/dbraw/zinc/87/31/18/443873118.db2.gz JXIYXRNLJAQBBN-MJGOQNOKSA-N 1 2 341.455 1.973 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc[nH+]1 ZINC000299059329 443941546 /nfs/dbraw/zinc/94/15/46/443941546.db2.gz UWXRFKPCHTYWIX-TZMCWYRMSA-N 1 2 340.387 1.194 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH+]cn1 ZINC000299059329 443941553 /nfs/dbraw/zinc/94/15/53/443941553.db2.gz UWXRFKPCHTYWIX-TZMCWYRMSA-N 1 2 340.387 1.194 20 30 EDEDLO N#Cc1ccsc1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000293032869 443907823 /nfs/dbraw/zinc/90/78/23/443907823.db2.gz MJGQTXUPBJDPNL-UHFFFAOYSA-N 1 2 341.396 1.302 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000288833472 443994557 /nfs/dbraw/zinc/99/45/57/443994557.db2.gz VXVOEUYDKHEUMQ-SFHVURJKSA-N 1 2 341.455 1.785 20 30 EDEDLO CCOC1CC(CNc2nnc(C)c(C)c2C#N)([NH+]2CCOCC2)C1 ZINC000277815619 444046388 /nfs/dbraw/zinc/04/63/88/444046388.db2.gz IHELHULXTKOJST-UHFFFAOYSA-N 1 2 345.447 1.647 20 30 EDEDLO CS(=O)(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285635922 444056065 /nfs/dbraw/zinc/05/60/65/444056065.db2.gz YYPVHFOXLILJTP-UHFFFAOYSA-N 1 2 326.393 1.585 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2C)CC1 ZINC000282086159 444083075 /nfs/dbraw/zinc/08/30/75/444083075.db2.gz BBYAHTGHSSLRJF-UHFFFAOYSA-N 1 2 332.411 1.786 20 30 EDEDLO C#C[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000282100893 444086273 /nfs/dbraw/zinc/08/62/73/444086273.db2.gz OCAJBTLTPDAGAU-INIZCTEOSA-N 1 2 342.443 1.284 20 30 EDEDLO N#Cc1c(-n2cccn2)cccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000564583545 321136600 /nfs/dbraw/zinc/13/66/00/321136600.db2.gz AAVPAXPWFBKNJW-UHFFFAOYSA-N 1 2 333.399 1.789 20 30 EDEDLO Cc1cc(CN2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)no1 ZINC000564988942 321163057 /nfs/dbraw/zinc/16/30/57/321163057.db2.gz GIIIEQFDHPUGGP-UHFFFAOYSA-N 1 2 337.387 1.215 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000570214883 321341300 /nfs/dbraw/zinc/34/13/00/321341300.db2.gz AXIVQOXVHBULEA-CQSZACIVSA-N 1 2 337.401 1.866 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000570214883 321341301 /nfs/dbraw/zinc/34/13/01/321341301.db2.gz AXIVQOXVHBULEA-CQSZACIVSA-N 1 2 337.401 1.866 20 30 EDEDLO N#Cc1cscc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000571231889 321378803 /nfs/dbraw/zinc/37/88/03/321378803.db2.gz XCXDKUWPHXARNZ-AWEZNQCLSA-N 1 2 335.429 1.183 20 30 EDEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCC(=O)N(C)C)c2)n1 ZINC000289421830 444137919 /nfs/dbraw/zinc/13/79/19/444137919.db2.gz QPLFJHOWPFYTHG-UHFFFAOYSA-N 1 2 329.404 1.273 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@]2(C)CCOC2=O)c(OC)c1 ZINC000289454828 444149185 /nfs/dbraw/zinc/14/91/85/444149185.db2.gz FXOISEISEMSJTG-KSSFIOAISA-N 1 2 335.400 1.459 20 30 EDEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000301532062 444178184 /nfs/dbraw/zinc/17/81/84/444178184.db2.gz SCNKIJVPKGAXQC-HOTGVXAUSA-N 1 2 341.459 1.770 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC000295641397 444190997 /nfs/dbraw/zinc/19/09/97/444190997.db2.gz PNUDZENUWPTANR-KRWDZBQOSA-N 1 2 331.416 1.243 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@@H](O)C2)c1 ZINC000295641397 444190999 /nfs/dbraw/zinc/19/09/99/444190999.db2.gz PNUDZENUWPTANR-KRWDZBQOSA-N 1 2 331.416 1.243 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCOC[C@@H](O)C1 ZINC000295749117 444192329 /nfs/dbraw/zinc/19/23/29/444192329.db2.gz XEWUXRPZESNAKC-BBRMVZONSA-N 1 2 335.379 1.154 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOC[C@@H](O)C1 ZINC000295749117 444192331 /nfs/dbraw/zinc/19/23/31/444192331.db2.gz XEWUXRPZESNAKC-BBRMVZONSA-N 1 2 335.379 1.154 20 30 EDEDLO C#Cc1ccc(C[NH+]2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)cc1 ZINC000289702872 444192827 /nfs/dbraw/zinc/19/28/27/444192827.db2.gz OQSJLTLSUMKTPV-UHFFFAOYSA-N 1 2 349.452 1.610 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)s1 ZINC000577091485 321622509 /nfs/dbraw/zinc/62/25/09/321622509.db2.gz ABGOSJOWWKDIPR-QWHCGFSZSA-N 1 2 334.445 1.624 20 30 EDEDLO C#Cc1ccc(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000296539567 444237357 /nfs/dbraw/zinc/23/73/57/444237357.db2.gz AYSPRIXXUAVWAF-QAPCUYQASA-N 1 2 327.428 1.673 20 30 EDEDLO C=CCNc1ncc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)s1 ZINC000290749431 444318723 /nfs/dbraw/zinc/31/87/23/444318723.db2.gz AHGDGJCHOQZAAR-CHWSQXEVSA-N 1 2 336.461 1.676 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000297713282 444322530 /nfs/dbraw/zinc/32/25/30/444322530.db2.gz BBOJKSCQPOMDFX-AWEZNQCLSA-N 1 2 347.434 1.939 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000297713282 444322533 /nfs/dbraw/zinc/32/25/33/444322533.db2.gz BBOJKSCQPOMDFX-AWEZNQCLSA-N 1 2 347.434 1.939 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000290395858 444275807 /nfs/dbraw/zinc/27/58/07/444275807.db2.gz CZFSAACTUCLKQA-IBGZPJMESA-N 1 2 348.443 1.545 20 30 EDEDLO CC(=O)N1CC[NH+](CCNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000331046148 444373083 /nfs/dbraw/zinc/37/30/83/444373083.db2.gz UPCNZRLLKYRSQX-UHFFFAOYSA-N 1 2 342.443 1.382 20 30 EDEDLO C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c2nccn21 ZINC000578523105 321789536 /nfs/dbraw/zinc/78/95/36/321789536.db2.gz LSBQSLHKZCNRBM-IUODEOHRSA-N 1 2 330.413 1.824 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)CC3CCCCC3)C[C@H]21 ZINC000328920895 444404048 /nfs/dbraw/zinc/40/40/48/444404048.db2.gz TUCNOVLBYRLOPX-HZPDHXFCSA-N 1 2 337.464 1.845 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)CC3CCCCC3)C[C@H]21 ZINC000328920895 444404052 /nfs/dbraw/zinc/40/40/52/444404052.db2.gz TUCNOVLBYRLOPX-HZPDHXFCSA-N 1 2 337.464 1.845 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3COc4ccccc4O3)C[C@H]21 ZINC000328863385 444379790 /nfs/dbraw/zinc/37/97/90/444379790.db2.gz ZYLSLTIBKJRQAB-RBSFLKMASA-N 1 2 347.415 1.145 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3COc4ccccc4O3)C[C@H]21 ZINC000328863385 444379792 /nfs/dbraw/zinc/37/97/92/444379792.db2.gz ZYLSLTIBKJRQAB-RBSFLKMASA-N 1 2 347.415 1.145 20 30 EDEDLO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)CCO2)cn1 ZINC000328598665 444389420 /nfs/dbraw/zinc/38/94/20/444389420.db2.gz BJDKSZUXAMCXSF-ZFWWWQNUSA-N 1 2 344.419 1.482 20 30 EDEDLO CCOC1CC(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000328901029 444394474 /nfs/dbraw/zinc/39/44/74/444394474.db2.gz YPINDFDXXSAIHK-FJBKBRRZSA-N 1 2 325.453 1.511 20 30 EDEDLO CCOC1CC(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000328901029 444394478 /nfs/dbraw/zinc/39/44/78/444394478.db2.gz YPINDFDXXSAIHK-FJBKBRRZSA-N 1 2 325.453 1.511 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328755481 444450237 /nfs/dbraw/zinc/45/02/37/444450237.db2.gz SXWAWVWDSDZRMZ-BNOWGMLFSA-N 1 2 325.409 1.678 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328755481 444450242 /nfs/dbraw/zinc/45/02/42/444450242.db2.gz SXWAWVWDSDZRMZ-BNOWGMLFSA-N 1 2 325.409 1.678 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000331231529 444451682 /nfs/dbraw/zinc/45/16/82/444451682.db2.gz IHAHYMVOCAHKPG-KFWWJZLASA-N 1 2 340.468 1.895 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331231529 444451687 /nfs/dbraw/zinc/45/16/87/444451687.db2.gz IHAHYMVOCAHKPG-KFWWJZLASA-N 1 2 340.468 1.895 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000331449145 444472431 /nfs/dbraw/zinc/47/24/31/444472431.db2.gz LMILVFMRDJLUFQ-RHSMWYFYSA-N 1 2 336.436 1.518 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000331449145 444472434 /nfs/dbraw/zinc/47/24/34/444472434.db2.gz LMILVFMRDJLUFQ-RHSMWYFYSA-N 1 2 336.436 1.518 20 30 EDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329108593 444474179 /nfs/dbraw/zinc/47/41/79/444474179.db2.gz FLQRRKGOFBWEAK-VBQJREDUSA-N 1 2 334.420 1.602 20 30 EDEDLO CC(C)[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)CCO1 ZINC000329143031 444482706 /nfs/dbraw/zinc/48/27/06/444482706.db2.gz LTNCFYUBWXJSPC-GJZGRUSLSA-N 1 2 327.469 1.804 20 30 EDEDLO CC(C)[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)CCO1 ZINC000329143031 444482707 /nfs/dbraw/zinc/48/27/07/444482707.db2.gz LTNCFYUBWXJSPC-GJZGRUSLSA-N 1 2 327.469 1.804 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000329144696 444483284 /nfs/dbraw/zinc/48/32/84/444483284.db2.gz NFAWNXFFEJIACN-UHFFFAOYSA-N 1 2 347.423 1.223 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCN(C(=O)CC#N)CC1 ZINC000332064281 444499303 /nfs/dbraw/zinc/49/93/03/444499303.db2.gz RTQCVCSLQKYQOJ-UHFFFAOYSA-N 1 2 339.399 1.319 20 30 EDEDLO COCc1nocc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000340757170 444500364 /nfs/dbraw/zinc/50/03/64/444500364.db2.gz YCAUQPOJMJZGNF-UHFFFAOYSA-N 1 2 340.383 1.651 20 30 EDEDLO Cc1cc(NC2CCN(S(=O)(=O)C(C)(C)C)CC2)c(C#N)c[nH+]1 ZINC000580437783 322051558 /nfs/dbraw/zinc/05/15/58/322051558.db2.gz XKJWZBGYFIUAGD-UHFFFAOYSA-N 1 2 336.461 1.688 20 30 EDEDLO Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)no1 ZINC000329419549 444572270 /nfs/dbraw/zinc/57/22/70/444572270.db2.gz ZXGPMSKHFLEKJF-BZPMIXESSA-N 1 2 337.424 1.538 20 30 EDEDLO N#C[C@@H]1CSCCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000342228316 444576216 /nfs/dbraw/zinc/57/62/16/444576216.db2.gz WWGDRAJZYPUFGG-MRXNPFEDSA-N 1 2 331.441 1.600 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329430275 444576607 /nfs/dbraw/zinc/57/66/07/444576607.db2.gz KEYFAYHDLOCKIM-HLLBOEOZSA-N 1 2 345.443 1.872 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329430275 444576609 /nfs/dbraw/zinc/57/66/09/444576609.db2.gz KEYFAYHDLOCKIM-HLLBOEOZSA-N 1 2 345.443 1.872 20 30 EDEDLO CCn1cc(NC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cn1 ZINC000329435779 444578397 /nfs/dbraw/zinc/57/83/97/444578397.db2.gz JRIAVIFPWXNSAX-UHFFFAOYSA-N 1 2 348.451 1.173 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000342158646 444539600 /nfs/dbraw/zinc/53/96/00/444539600.db2.gz ISDQVKXVDQRHIH-JKSUJKDBSA-N 1 2 349.450 1.637 20 30 EDEDLO Cc1nc2ccc(NC(=O)NCC[N@@H+]3CCOC(C)(C)C3)cn2n1 ZINC000329446392 444582929 /nfs/dbraw/zinc/58/29/29/444582929.db2.gz NWWSWHHCWRCWPW-UHFFFAOYSA-N 1 2 332.408 1.474 20 30 EDEDLO Cc1nc2ccc(NC(=O)NCC[N@H+]3CCOC(C)(C)C3)cn2n1 ZINC000329446392 444582936 /nfs/dbraw/zinc/58/29/36/444582936.db2.gz NWWSWHHCWRCWPW-UHFFFAOYSA-N 1 2 332.408 1.474 20 30 EDEDLO CCc1nc2n(n1)C[C@H](NC(=O)C1([NH+]3CCOCC3)CCC1)CC2 ZINC000329350646 444545083 /nfs/dbraw/zinc/54/50/83/444545083.db2.gz WWNRGEKMJOIJNM-CYBMUJFWSA-N 1 2 333.436 1.367 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342258076 444594147 /nfs/dbraw/zinc/59/41/47/444594147.db2.gz XQBAKMSBCSYDOX-HUUCEWRRSA-N 1 2 331.416 1.582 20 30 EDEDLO Cc1ccc(C2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)cn1 ZINC000329491659 444601624 /nfs/dbraw/zinc/60/16/24/444601624.db2.gz ZJKIYQXMPHZWOS-KRWDZBQOSA-N 1 2 332.448 1.814 20 30 EDEDLO Cc1ccc(C2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)cn1 ZINC000329491659 444601627 /nfs/dbraw/zinc/60/16/27/444601627.db2.gz ZJKIYQXMPHZWOS-KRWDZBQOSA-N 1 2 332.448 1.814 20 30 EDEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CC(=O)N(C)C1)C1CCOCC1 ZINC000329504855 444607680 /nfs/dbraw/zinc/60/76/80/444607680.db2.gz WPAWJYFJMCBCRA-CQSZACIVSA-N 1 2 335.408 1.016 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](CCNC(C)=O)Cc2ccc(C)s2)C1=O ZINC000338312782 444625289 /nfs/dbraw/zinc/62/52/89/444625289.db2.gz BVTVIYORMKDRBB-MRXNPFEDSA-N 1 2 335.473 1.782 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](CCNC(C)=O)Cc2ccc(C)s2)C1=O ZINC000338312782 444625292 /nfs/dbraw/zinc/62/52/92/444625292.db2.gz BVTVIYORMKDRBB-MRXNPFEDSA-N 1 2 335.473 1.782 20 30 EDEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000342351764 444648770 /nfs/dbraw/zinc/64/87/70/444648770.db2.gz GIVHPDUTKFXJGC-LBPRGKRZSA-N 1 2 347.444 1.244 20 30 EDEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000342351764 444648771 /nfs/dbraw/zinc/64/87/71/444648771.db2.gz GIVHPDUTKFXJGC-LBPRGKRZSA-N 1 2 347.444 1.244 20 30 EDEDLO [O-]C(=[NH+]C1CCN(c2cccnn2)CC1)N1CCn2c[nH+]cc2C1 ZINC000329618833 444651365 /nfs/dbraw/zinc/65/13/65/444651365.db2.gz GHMHLZKMKZOILF-UHFFFAOYSA-N 1 2 327.392 1.072 20 30 EDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC2(CCOCC2)O1 ZINC000329639251 444660236 /nfs/dbraw/zinc/66/02/36/444660236.db2.gz ZELYZCWGINGBQJ-CHWSQXEVSA-N 1 2 334.420 1.451 20 30 EDEDLO C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC2(CCOCC2)O1 ZINC000329639251 444660239 /nfs/dbraw/zinc/66/02/39/444660239.db2.gz ZELYZCWGINGBQJ-CHWSQXEVSA-N 1 2 334.420 1.451 20 30 EDEDLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@H]1CCCOC1 ZINC000329639822 444660413 /nfs/dbraw/zinc/66/04/13/444660413.db2.gz ZMXQEQRPRVKQQQ-JYJNAYRXSA-N 1 2 325.453 1.512 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329681665 444677969 /nfs/dbraw/zinc/67/79/69/444677969.db2.gz RYXQOCFOCFUCQS-OCCSQVGLSA-N 1 2 333.388 1.408 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329681665 444677971 /nfs/dbraw/zinc/67/79/71/444677971.db2.gz RYXQOCFOCFUCQS-OCCSQVGLSA-N 1 2 333.388 1.408 20 30 EDEDLO C[C@H](CNC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000329690173 444681298 /nfs/dbraw/zinc/68/12/98/444681298.db2.gz GKILIBKDXWKRKX-PMPSAXMXSA-N 1 2 337.464 1.655 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329582073 444637384 /nfs/dbraw/zinc/63/73/84/444637384.db2.gz VIZYXVPWNRDZMI-CYBMUJFWSA-N 1 2 340.449 1.470 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329582073 444637386 /nfs/dbraw/zinc/63/73/86/444637386.db2.gz VIZYXVPWNRDZMI-CYBMUJFWSA-N 1 2 340.449 1.470 20 30 EDEDLO CCN(CC)C(=O)N1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329750327 444700868 /nfs/dbraw/zinc/70/08/68/444700868.db2.gz UZJXPOXBULBGPZ-CYBMUJFWSA-N 1 2 348.451 1.260 20 30 EDEDLO CCN(CC)C(=O)N1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329750327 444700873 /nfs/dbraw/zinc/70/08/73/444700873.db2.gz UZJXPOXBULBGPZ-CYBMUJFWSA-N 1 2 348.451 1.260 20 30 EDEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCN2CCOC[C@H]2C1 ZINC000329817442 444728105 /nfs/dbraw/zinc/72/81/05/444728105.db2.gz FUFHTGIYHHGTLU-CQSZACIVSA-N 1 2 349.822 1.418 20 30 EDEDLO Cc1nsc(N2CC[NH+](CCN3CCOC[C@@H]3C)CC2)c1C#N ZINC000329854399 444741216 /nfs/dbraw/zinc/74/12/16/444741216.db2.gz SRGHYKIOGPAXLT-ZDUSSCGKSA-N 1 2 335.477 1.166 20 30 EDEDLO Cc1cc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cnn1 ZINC000329869248 444747213 /nfs/dbraw/zinc/74/72/13/444747213.db2.gz YMVUPVCPQVWKPW-ZDUSSCGKSA-N 1 2 327.388 1.910 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CCO2 ZINC000329896661 444757932 /nfs/dbraw/zinc/75/79/32/444757932.db2.gz COOAUQGHQCKVTC-SCLBCKFNSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CCO2 ZINC000329896661 444757935 /nfs/dbraw/zinc/75/79/35/444757935.db2.gz COOAUQGHQCKVTC-SCLBCKFNSA-N 1 2 340.383 1.988 20 30 EDEDLO COCCc1noc(C[N@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344106709 444784347 /nfs/dbraw/zinc/78/43/47/444784347.db2.gz HSHFGCMRSPMHAJ-UHFFFAOYSA-N 1 2 330.388 1.779 20 30 EDEDLO COCCc1noc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)n1 ZINC000344106709 444784352 /nfs/dbraw/zinc/78/43/52/444784352.db2.gz HSHFGCMRSPMHAJ-UHFFFAOYSA-N 1 2 330.388 1.779 20 30 EDEDLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000329898791 444759175 /nfs/dbraw/zinc/75/91/75/444759175.db2.gz MNCCJABTZASQMG-MAUKXSAKSA-N 1 2 332.400 1.438 20 30 EDEDLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000329898791 444759180 /nfs/dbraw/zinc/75/91/80/444759180.db2.gz MNCCJABTZASQMG-MAUKXSAKSA-N 1 2 332.400 1.438 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338588754 444759275 /nfs/dbraw/zinc/75/92/75/444759275.db2.gz MHCWYKOXLCPSKW-GUYCJALGSA-N 1 2 337.370 1.867 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338588754 444759277 /nfs/dbraw/zinc/75/92/77/444759277.db2.gz MHCWYKOXLCPSKW-GUYCJALGSA-N 1 2 337.370 1.867 20 30 EDEDLO COc1cc(F)c(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1OC ZINC000329914790 444767036 /nfs/dbraw/zinc/76/70/36/444767036.db2.gz CQRFVSPKCVAEBP-WFASDCNBSA-N 1 2 339.367 1.403 20 30 EDEDLO COc1cc(F)c(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1OC ZINC000329914790 444767040 /nfs/dbraw/zinc/76/70/40/444767040.db2.gz CQRFVSPKCVAEBP-WFASDCNBSA-N 1 2 339.367 1.403 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3cccc4nsnc43)C[C@H]21 ZINC000329920186 444769431 /nfs/dbraw/zinc/76/94/31/444769431.db2.gz GUYHIZANIUYJKO-OLZOCXBDSA-N 1 2 333.417 1.294 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3cccc4nsnc43)C[C@H]21 ZINC000329920186 444769435 /nfs/dbraw/zinc/76/94/35/444769435.db2.gz GUYHIZANIUYJKO-OLZOCXBDSA-N 1 2 333.417 1.294 20 30 EDEDLO CN1CCO[C@H]2C[N@H+](CC(=O)Nc3cccc4nsnc43)C[C@H]21 ZINC000329920186 444769439 /nfs/dbraw/zinc/76/94/39/444769439.db2.gz GUYHIZANIUYJKO-OLZOCXBDSA-N 1 2 333.417 1.294 20 30 EDEDLO CN1CCO[C@H]2C[N@@H+](CC(=O)Nc3cccc4nsnc43)C[C@H]21 ZINC000329920186 444769441 /nfs/dbraw/zinc/76/94/41/444769441.db2.gz GUYHIZANIUYJKO-OLZOCXBDSA-N 1 2 333.417 1.294 20 30 EDEDLO COC1CCN(C(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000329929871 444773639 /nfs/dbraw/zinc/77/36/39/444773639.db2.gz ZDTQCPUCPIYGQA-ZDUSSCGKSA-N 1 2 338.452 1.342 20 30 EDEDLO CCN1CCN([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329929910 444773733 /nfs/dbraw/zinc/77/37/33/444773733.db2.gz ZFEGXXFZFLMVEK-STQMWFEESA-N 1 2 329.408 1.555 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3cc(=O)[nH]c4ccccc34)C[C@H]21 ZINC000329977352 444796700 /nfs/dbraw/zinc/79/67/00/444796700.db2.gz GAWOUACBGLCQTQ-HZPDHXFCSA-N 1 2 342.399 1.369 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3cc(=O)[nH]c4ccccc34)C[C@H]21 ZINC000329977352 444796702 /nfs/dbraw/zinc/79/67/02/444796702.db2.gz GAWOUACBGLCQTQ-HZPDHXFCSA-N 1 2 342.399 1.369 20 30 EDEDLO CCN1CCN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329986948 444800796 /nfs/dbraw/zinc/80/07/96/444800796.db2.gz FRXHZIDOECPFPN-RBSFLKMASA-N 1 2 333.436 1.570 20 30 EDEDLO Cc1ccc(-n2cccn2)cc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330031278 444818003 /nfs/dbraw/zinc/81/80/03/444818003.db2.gz SXVZFZXCWOHGJA-INIZCTEOSA-N 1 2 342.447 1.752 20 30 EDEDLO Cc1ccc(-n2cccn2)cc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330031278 444818006 /nfs/dbraw/zinc/81/80/06/444818006.db2.gz SXVZFZXCWOHGJA-INIZCTEOSA-N 1 2 342.447 1.752 20 30 EDEDLO O=C1CCCN1[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329955001 444785507 /nfs/dbraw/zinc/78/55/07/444785507.db2.gz OCOUFYSXVVFQQL-UONOGXRCSA-N 1 2 331.420 1.056 20 30 EDEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCc2n[nH]c(=O)cc2C1 ZINC000330072038 444834008 /nfs/dbraw/zinc/83/40/08/444834008.db2.gz JJZRZECHNGGLKD-CYBMUJFWSA-N 1 2 340.387 1.128 20 30 EDEDLO C=C(C)Cn1c(COCC)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000338845508 444884931 /nfs/dbraw/zinc/88/49/31/444884931.db2.gz GOUKBCDGYFSYIN-OAHLLOKOSA-N 1 2 335.452 1.302 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@H]3CCOC4(CCC4)C3)CC2)cn1 ZINC000330222474 444893845 /nfs/dbraw/zinc/89/38/45/444893845.db2.gz MLMOFYWYMZKTNN-INIZCTEOSA-N 1 2 347.463 1.553 20 30 EDEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000330235831 444900439 /nfs/dbraw/zinc/90/04/39/444900439.db2.gz YZGPTNSFQPBWCZ-OAGGEKHMSA-N 1 2 325.453 1.368 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccccc2O)CC1 ZINC000330275420 444918287 /nfs/dbraw/zinc/91/82/87/444918287.db2.gz LMDDUGOMGSVBNJ-CQSZACIVSA-N 1 2 341.415 1.640 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(OC)c1 ZINC000330289762 444923968 /nfs/dbraw/zinc/92/39/68/444923968.db2.gz FEVJEIIMLSGBQC-NUTKFTJISA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(OC)c1 ZINC000330289762 444923974 /nfs/dbraw/zinc/92/39/74/444923974.db2.gz FEVJEIIMLSGBQC-NUTKFTJISA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(OC)c1 ZINC000330289762 444923980 /nfs/dbraw/zinc/92/39/80/444923980.db2.gz FEVJEIIMLSGBQC-NUTKFTJISA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c(OC)c1 ZINC000330289762 444923982 /nfs/dbraw/zinc/92/39/82/444923982.db2.gz FEVJEIIMLSGBQC-NUTKFTJISA-N 1 2 349.431 1.695 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1C ZINC000330350138 444948567 /nfs/dbraw/zinc/94/85/67/444948567.db2.gz KSBDUMSWORQTNJ-HOTGVXAUSA-N 1 2 346.431 1.807 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1C ZINC000330350138 444948572 /nfs/dbraw/zinc/94/85/72/444948572.db2.gz KSBDUMSWORQTNJ-HOTGVXAUSA-N 1 2 346.431 1.807 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1C ZINC000330350138 444948577 /nfs/dbraw/zinc/94/85/77/444948577.db2.gz KSBDUMSWORQTNJ-HOTGVXAUSA-N 1 2 346.431 1.807 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1C ZINC000330350138 444948581 /nfs/dbraw/zinc/94/85/81/444948581.db2.gz KSBDUMSWORQTNJ-HOTGVXAUSA-N 1 2 346.431 1.807 20 30 EDEDLO CCN1CCN(C(=O)Nc2cc(OC)ncn2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330319726 444934852 /nfs/dbraw/zinc/93/48/52/444934852.db2.gz DLGBRDCOZXCELI-LLVKDONJSA-N 1 2 331.380 1.133 20 30 EDEDLO C=CCN(CCOC)C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000342908660 444935310 /nfs/dbraw/zinc/93/53/10/444935310.db2.gz AFKBSXIXUGDNPG-UHFFFAOYSA-N 1 2 342.399 1.150 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2ncn(C(C)(C)C)n2)CCO1 ZINC000330327374 444938173 /nfs/dbraw/zinc/93/81/73/444938173.db2.gz KVWGEKCSAIIGTR-AAEUAGOBSA-N 1 2 347.423 2.013 20 30 EDEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)CCOCCC#N)s1 ZINC000339157511 445062822 /nfs/dbraw/zinc/06/28/22/445062822.db2.gz ZEGOFQRHRAASRC-UHFFFAOYSA-N 1 2 325.438 1.537 20 30 EDEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)CCOCCC#N)s1 ZINC000339157511 445062827 /nfs/dbraw/zinc/06/28/27/445062827.db2.gz ZEGOFQRHRAASRC-UHFFFAOYSA-N 1 2 325.438 1.537 20 30 EDEDLO CO[C@H]1C[C@H](C(N)=O)[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000344528976 445036639 /nfs/dbraw/zinc/03/66/39/445036639.db2.gz XMWAYYBPDRZMEM-UONOGXRCSA-N 1 2 342.317 1.511 20 30 EDEDLO CO[C@H]1C[C@H](C(N)=O)[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000344528976 445036642 /nfs/dbraw/zinc/03/66/42/445036642.db2.gz XMWAYYBPDRZMEM-UONOGXRCSA-N 1 2 342.317 1.511 20 30 EDEDLO CCS(=O)(=O)C[C@@H](C)[NH+]=C([O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000330767182 445133378 /nfs/dbraw/zinc/13/33/78/445133378.db2.gz WDBWOIKBGXGRMP-GFCCVEGCSA-N 1 2 328.438 1.257 20 30 EDEDLO CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000330767182 445133381 /nfs/dbraw/zinc/13/33/81/445133381.db2.gz WDBWOIKBGXGRMP-GFCCVEGCSA-N 1 2 328.438 1.257 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000339871662 445176216 /nfs/dbraw/zinc/17/62/16/445176216.db2.gz ACLSYHSCHAMXED-OAHLLOKOSA-N 1 2 342.399 1.279 20 30 EDEDLO COC1CCC(N(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000330828129 445156566 /nfs/dbraw/zinc/15/65/66/445156566.db2.gz WTVZZXKJPIWVSJ-UHFFFAOYSA-N 1 2 327.469 1.901 20 30 EDEDLO COC1CCC(N(C)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000330828129 445156569 /nfs/dbraw/zinc/15/65/69/445156569.db2.gz WTVZZXKJPIWVSJ-UHFFFAOYSA-N 1 2 327.469 1.901 20 30 EDEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000337594516 445156778 /nfs/dbraw/zinc/15/67/78/445156778.db2.gz AKZMONIHMITIIZ-OAHLLOKOSA-N 1 2 345.443 1.269 20 30 EDEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000337594516 445156779 /nfs/dbraw/zinc/15/67/79/445156779.db2.gz AKZMONIHMITIIZ-OAHLLOKOSA-N 1 2 345.443 1.269 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000346506238 445217344 /nfs/dbraw/zinc/21/73/44/445217344.db2.gz RCABMBXHVAXWSZ-ZAMGYDSWSA-N 1 2 333.457 1.807 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000346506238 445217345 /nfs/dbraw/zinc/21/73/45/445217345.db2.gz RCABMBXHVAXWSZ-ZAMGYDSWSA-N 1 2 333.457 1.807 20 30 EDEDLO COc1ccc(C)cc1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346540634 445217990 /nfs/dbraw/zinc/21/79/90/445217990.db2.gz XJDBICMYYGDKAZ-UHFFFAOYSA-N 1 2 345.443 1.621 20 30 EDEDLO C=C(C)CN(C)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000346831066 445226070 /nfs/dbraw/zinc/22/60/70/445226070.db2.gz LZDZOEZJCJBWHS-PBHICJAKSA-N 1 2 345.447 1.832 20 30 EDEDLO CC#CCCCC(=O)N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000347517596 445240268 /nfs/dbraw/zinc/24/02/68/445240268.db2.gz PIBNUUOFTRPNOC-KXBFYZLASA-N 1 2 342.443 1.924 20 30 EDEDLO C=CCCCCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000351644911 445255819 /nfs/dbraw/zinc/25/58/19/445255819.db2.gz LVONGUXTWBLEAS-AWEZNQCLSA-N 1 2 333.436 1.567 20 30 EDEDLO C=CCCCNC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000348063886 445264295 /nfs/dbraw/zinc/26/42/95/445264295.db2.gz TWOYHGOYFJAYAM-RHSMWYFYSA-N 1 2 345.447 1.880 20 30 EDEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000354785160 445387028 /nfs/dbraw/zinc/38/70/28/445387028.db2.gz HRORRXQIBDJFBG-JTQLQIEISA-N 1 2 343.774 1.547 20 30 EDEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000354785160 445387031 /nfs/dbraw/zinc/38/70/31/445387031.db2.gz HRORRXQIBDJFBG-JTQLQIEISA-N 1 2 343.774 1.547 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1F ZINC000354791599 445391181 /nfs/dbraw/zinc/39/11/81/445391181.db2.gz CYJSKGVGFPKPDQ-LLVKDONJSA-N 1 2 327.319 1.033 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1F ZINC000354791599 445391186 /nfs/dbraw/zinc/39/11/86/445391186.db2.gz CYJSKGVGFPKPDQ-LLVKDONJSA-N 1 2 327.319 1.033 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2COC[C@H]2O)c1C ZINC000352815621 445557370 /nfs/dbraw/zinc/55/73/70/445557370.db2.gz KVUBMFMLAGSXDH-DLBZAZTESA-N 1 2 331.416 1.242 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2COC[C@H]2O)c1C ZINC000352815621 445557371 /nfs/dbraw/zinc/55/73/71/445557371.db2.gz KVUBMFMLAGSXDH-DLBZAZTESA-N 1 2 331.416 1.242 20 30 EDEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n(C)c(=O)n1C ZINC000352903319 445564531 /nfs/dbraw/zinc/56/45/31/445564531.db2.gz PXPIPYWULMEYAK-UHFFFAOYSA-N 1 2 345.447 1.440 20 30 EDEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n(C)c(=O)n1C ZINC000352903319 445564536 /nfs/dbraw/zinc/56/45/36/445564536.db2.gz PXPIPYWULMEYAK-UHFFFAOYSA-N 1 2 345.447 1.440 20 30 EDEDLO N#CCc1cccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000353176886 445579335 /nfs/dbraw/zinc/57/93/35/445579335.db2.gz VRIAXEBYISHHLG-SFHVURJKSA-N 1 2 343.427 1.316 20 30 EDEDLO CN1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1=O ZINC000352668805 445545796 /nfs/dbraw/zinc/54/57/96/445545796.db2.gz VBFAIENYQJGQFU-OAHLLOKOSA-N 1 2 348.834 1.749 20 30 EDEDLO CN1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1=O ZINC000352668805 445545800 /nfs/dbraw/zinc/54/58/00/445545800.db2.gz VBFAIENYQJGQFU-OAHLLOKOSA-N 1 2 348.834 1.749 20 30 EDEDLO CN(C[C@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000353362959 445590848 /nfs/dbraw/zinc/59/08/48/445590848.db2.gz HJOKDXFTIFEOTC-GOEBONIOSA-N 1 2 344.394 1.304 20 30 EDEDLO CN(C[C@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000353362959 445590852 /nfs/dbraw/zinc/59/08/52/445590852.db2.gz HJOKDXFTIFEOTC-GOEBONIOSA-N 1 2 344.394 1.304 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3[C@@H]4CCCO[C@H]34)CC2)cc1 ZINC000356204534 445674290 /nfs/dbraw/zinc/67/42/90/445674290.db2.gz VPMBUMFLBXKFTM-KSZLIROESA-N 1 2 325.412 1.627 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCNC(=O)C[C@@H]2C)cc1C ZINC000363150567 445698341 /nfs/dbraw/zinc/69/83/41/445698341.db2.gz SEYVVKRIRGSTHM-INIZCTEOSA-N 1 2 342.443 1.761 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCNC(=O)C[C@@H]2C)cc1C ZINC000363150567 445698347 /nfs/dbraw/zinc/69/83/47/445698347.db2.gz SEYVVKRIRGSTHM-INIZCTEOSA-N 1 2 342.443 1.761 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)c1c[nH]c(C#N)c1 ZINC000358681593 445714302 /nfs/dbraw/zinc/71/43/02/445714302.db2.gz ONKUJAYKLQGTAS-ZFWWWQNUSA-N 1 2 344.394 1.304 20 30 EDEDLO Cc1onc(CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC000353889752 445800677 /nfs/dbraw/zinc/80/06/77/445800677.db2.gz UWLJKCDNNUIHRG-UHFFFAOYSA-N 1 2 335.367 1.958 20 30 EDEDLO CC(C)C[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)[NH+]1CCOCC1 ZINC000354092911 445896966 /nfs/dbraw/zinc/89/69/66/445896966.db2.gz PFTOVUYXPWDBEL-HNNXBMFYSA-N 1 2 343.493 1.347 20 30 EDEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1 ZINC000364922210 445967589 /nfs/dbraw/zinc/96/75/89/445967589.db2.gz GFSJZPANHDKVKF-UHFFFAOYSA-N 1 2 343.387 1.387 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)s1 ZINC000369178457 445972356 /nfs/dbraw/zinc/97/23/56/445972356.db2.gz KKEYFYCRTPYDBB-NWDGAFQWSA-N 1 2 341.458 1.151 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)s1 ZINC000369178457 445972359 /nfs/dbraw/zinc/97/23/59/445972359.db2.gz KKEYFYCRTPYDBB-NWDGAFQWSA-N 1 2 341.458 1.151 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000361791375 445948750 /nfs/dbraw/zinc/94/87/50/445948750.db2.gz ZTODLTMSGZLXPU-CQSZACIVSA-N 1 2 330.413 1.778 20 30 EDEDLO N#C[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CCN1C1CC1 ZINC000369220899 446002710 /nfs/dbraw/zinc/00/27/10/446002710.db2.gz UXESCCIDJAAAQT-HNNXBMFYSA-N 1 2 328.420 1.265 20 30 EDEDLO C=CCOc1ccc(CN2C(=O)N[C@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000359177959 446003036 /nfs/dbraw/zinc/00/30/36/446003036.db2.gz XPWYPAMTPTYVAL-OAHLLOKOSA-N 1 2 326.356 1.638 20 30 EDEDLO C=CCOc1ccc(CN2C(=O)N[C@H](Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000359177959 446003039 /nfs/dbraw/zinc/00/30/39/446003039.db2.gz XPWYPAMTPTYVAL-OAHLLOKOSA-N 1 2 326.356 1.638 20 30 EDEDLO Cn1cc(C[N@H+](C)[C@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1C#N ZINC000365266543 446112071 /nfs/dbraw/zinc/11/20/71/446112071.db2.gz WYCPAQMSKQJPQE-KRWDZBQOSA-N 1 2 336.395 1.656 20 30 EDEDLO Cn1cc(C[N@@H+](C)[C@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1C#N ZINC000365266543 446112076 /nfs/dbraw/zinc/11/20/76/446112076.db2.gz WYCPAQMSKQJPQE-KRWDZBQOSA-N 1 2 336.395 1.656 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000351593666 446189487 /nfs/dbraw/zinc/18/94/87/446189487.db2.gz DZPOTWWCBRPVSC-UKRRQHHQSA-N 1 2 342.378 1.029 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366414534 446199826 /nfs/dbraw/zinc/19/98/26/446199826.db2.gz JBOATUVHVUGYGR-HNNXBMFYSA-N 1 2 328.478 1.476 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366414534 446199832 /nfs/dbraw/zinc/19/98/32/446199832.db2.gz JBOATUVHVUGYGR-HNNXBMFYSA-N 1 2 328.478 1.476 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)nc1Cl ZINC000366442055 446215126 /nfs/dbraw/zinc/21/51/26/446215126.db2.gz HVIGWZDWDWMCLJ-ZDUSSCGKSA-N 1 2 334.807 1.543 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000366580693 446267710 /nfs/dbraw/zinc/26/77/10/446267710.db2.gz AMLOPZFOSPOTEY-KSSFIOAISA-N 1 2 329.400 1.054 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000366580693 446267713 /nfs/dbraw/zinc/26/77/13/446267713.db2.gz AMLOPZFOSPOTEY-KSSFIOAISA-N 1 2 329.400 1.054 20 30 EDEDLO CN(C)c1cc2c(nn1)CC[N@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000366673550 446303377 /nfs/dbraw/zinc/30/33/77/446303377.db2.gz GPFZWCRPNPPVJJ-UHFFFAOYSA-N 1 2 333.399 1.620 20 30 EDEDLO CN(C)c1cc2c(nn1)CC[N@@H+](Cc1cnc3ccc(C#N)cn13)C2 ZINC000366673550 446303382 /nfs/dbraw/zinc/30/33/82/446303382.db2.gz GPFZWCRPNPPVJJ-UHFFFAOYSA-N 1 2 333.399 1.620 20 30 EDEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCNC(=O)[C@H]2c2cccs2)cc1 ZINC000370556231 446330977 /nfs/dbraw/zinc/33/09/77/446330977.db2.gz GUSPRJGGHDOYON-GDBMZVCRSA-N 1 2 327.409 1.826 20 30 EDEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCNC(=O)[C@H]2c2cccs2)cc1 ZINC000370556231 446330982 /nfs/dbraw/zinc/33/09/82/446330982.db2.gz GUSPRJGGHDOYON-GDBMZVCRSA-N 1 2 327.409 1.826 20 30 EDEDLO N#C[C@H](NC(=O)c1cnn(CC[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000365841768 446366011 /nfs/dbraw/zinc/36/60/11/446366011.db2.gz CNYQRCRZYYIQAT-KRWDZBQOSA-N 1 2 345.447 1.418 20 30 EDEDLO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)CCO1 ZINC000376287327 446414874 /nfs/dbraw/zinc/41/48/74/446414874.db2.gz GOSUOOLTHAEUQT-GFCCVEGCSA-N 1 2 339.417 1.025 20 30 EDEDLO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)CCO1 ZINC000376287327 446414876 /nfs/dbraw/zinc/41/48/76/446414876.db2.gz GOSUOOLTHAEUQT-GFCCVEGCSA-N 1 2 339.417 1.025 20 30 EDEDLO COC(=O)C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000376534051 446559665 /nfs/dbraw/zinc/55/96/65/446559665.db2.gz UICHFOUIZHFQSU-GFCCVEGCSA-N 1 2 337.401 1.212 20 30 EDEDLO COC(=O)C[C@@H]1COCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000376534051 446559669 /nfs/dbraw/zinc/55/96/69/446559669.db2.gz UICHFOUIZHFQSU-GFCCVEGCSA-N 1 2 337.401 1.212 20 30 EDEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000367522908 446557537 /nfs/dbraw/zinc/55/75/37/446557537.db2.gz KHDSIKQZSXFHQV-UONOGXRCSA-N 1 2 349.353 1.468 20 30 EDEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000367522908 446557542 /nfs/dbraw/zinc/55/75/42/446557542.db2.gz KHDSIKQZSXFHQV-UONOGXRCSA-N 1 2 349.353 1.468 20 30 EDEDLO N#Cc1cccc(C2(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)CC2)c1 ZINC000435072247 446677050 /nfs/dbraw/zinc/67/70/50/446677050.db2.gz DLAMXJJHDMKJEX-QGZVFWFLSA-N 1 2 325.412 1.523 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000371089496 446621265 /nfs/dbraw/zinc/62/12/65/446621265.db2.gz RSDAEQBJVLAVAU-QGZVFWFLSA-N 1 2 334.379 1.800 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1 ZINC000371089496 446621271 /nfs/dbraw/zinc/62/12/71/446621271.db2.gz RSDAEQBJVLAVAU-QGZVFWFLSA-N 1 2 334.379 1.800 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000435432646 446697079 /nfs/dbraw/zinc/69/70/79/446697079.db2.gz NZDYRGXPNIZTLJ-UHFFFAOYSA-N 1 2 347.465 1.956 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)s1 ZINC000435432646 446697084 /nfs/dbraw/zinc/69/70/84/446697084.db2.gz NZDYRGXPNIZTLJ-UHFFFAOYSA-N 1 2 347.465 1.956 20 30 EDEDLO C=CCOC[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000435945112 446718192 /nfs/dbraw/zinc/71/81/92/446718192.db2.gz UPCDSPDJJLTDFK-JKSUJKDBSA-N 1 2 332.400 1.121 20 30 EDEDLO C=CCOC[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)C(=O)OC ZINC000435945112 446718200 /nfs/dbraw/zinc/71/82/00/446718200.db2.gz UPCDSPDJJLTDFK-JKSUJKDBSA-N 1 2 332.400 1.121 20 30 EDEDLO CC(C)(CCC#N)CNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000376803831 446729444 /nfs/dbraw/zinc/72/94/44/446729444.db2.gz ZMTJDFQNYHZFAJ-UHFFFAOYSA-N 1 2 348.451 1.667 20 30 EDEDLO N#CCCn1cc(C[N@@H+]2CCO[C@@H](CO)C2)c(-c2ccncc2)n1 ZINC000435125592 446680503 /nfs/dbraw/zinc/68/05/03/446680503.db2.gz XUWULIIDUQYJLD-MRXNPFEDSA-N 1 2 327.388 1.052 20 30 EDEDLO N#CCCn1cc(C[N@H+]2CCO[C@@H](CO)C2)c(-c2ccncc2)n1 ZINC000435125592 446680509 /nfs/dbraw/zinc/68/05/09/446680509.db2.gz XUWULIIDUQYJLD-MRXNPFEDSA-N 1 2 327.388 1.052 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439002187 446804762 /nfs/dbraw/zinc/80/47/62/446804762.db2.gz YPBOTQRLCIIXIL-UHFFFAOYSA-N 1 2 339.399 1.648 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)[C@@H]1C(=O)OC ZINC000441649340 446871485 /nfs/dbraw/zinc/87/14/85/446871485.db2.gz GYTGPSPLMYYVCO-CVEARBPZSA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)[C@@H]1C(=O)OC ZINC000441649340 446871494 /nfs/dbraw/zinc/87/14/94/446871494.db2.gz GYTGPSPLMYYVCO-CVEARBPZSA-N 1 2 346.383 1.364 20 30 EDEDLO Cc1ccc(N2CCC[C@H](C(=O)Nc3nc(C#N)c(C#N)[nH]3)C2)[nH+]c1 ZINC000368459599 446876053 /nfs/dbraw/zinc/87/60/53/446876053.db2.gz UMOAIKZSTWFROV-LBPRGKRZSA-N 1 2 335.371 1.712 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2ccc(C(=O)NC)n2C)C1=O ZINC000375613863 446923771 /nfs/dbraw/zinc/92/37/71/446923771.db2.gz PKKFGPWLZQFEKN-RDJZCZTQSA-N 1 2 344.459 1.699 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2ccc(C(=O)NC)n2C)C1=O ZINC000375613863 446923780 /nfs/dbraw/zinc/92/37/80/446923780.db2.gz PKKFGPWLZQFEKN-RDJZCZTQSA-N 1 2 344.459 1.699 20 30 EDEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000375650616 446952290 /nfs/dbraw/zinc/95/22/90/446952290.db2.gz JMTVJGYKUVFCRN-UHFFFAOYSA-N 1 2 346.406 1.370 20 30 EDEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000375650616 446952297 /nfs/dbraw/zinc/95/22/97/446952297.db2.gz JMTVJGYKUVFCRN-UHFFFAOYSA-N 1 2 346.406 1.370 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000442826626 446983282 /nfs/dbraw/zinc/98/32/82/446983282.db2.gz MVEZHSKUXZFORV-QGZVFWFLSA-N 1 2 332.404 1.422 20 30 EDEDLO Cc1cc(N2CC[NH+](CC(=O)NC3CC3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413033620 446986939 /nfs/dbraw/zinc/98/69/39/446986939.db2.gz MQLLVIHQZLKQHV-UHFFFAOYSA-N 1 2 343.387 1.176 20 30 EDEDLO Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425200119 447059109 /nfs/dbraw/zinc/05/91/09/447059109.db2.gz JRBRDFQVTJJGAX-UHFFFAOYSA-N 1 2 342.424 1.773 20 30 EDEDLO C=CCOCCCC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000447681678 447288269 /nfs/dbraw/zinc/28/82/69/447288269.db2.gz QMSYDAVYXFAXFW-UHFFFAOYSA-N 1 2 331.416 1.451 20 30 EDEDLO C=CCOCCCC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000447681678 447288275 /nfs/dbraw/zinc/28/82/75/447288275.db2.gz QMSYDAVYXFAXFW-UHFFFAOYSA-N 1 2 331.416 1.451 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010104 447262420 /nfs/dbraw/zinc/26/24/20/447262420.db2.gz NJEVJCVPHZWADN-CZUORRHYSA-N 1 2 348.407 1.483 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010104 447262423 /nfs/dbraw/zinc/26/24/23/447262423.db2.gz NJEVJCVPHZWADN-CZUORRHYSA-N 1 2 348.407 1.483 20 30 EDEDLO Cc1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)n1-c1ccccc1 ZINC000414089114 447274502 /nfs/dbraw/zinc/27/45/02/447274502.db2.gz AJQJZQYJIFGXOM-HNNXBMFYSA-N 1 2 331.445 1.874 20 30 EDEDLO Cc1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)n1-c1ccccc1 ZINC000414089114 447274508 /nfs/dbraw/zinc/27/45/08/447274508.db2.gz AJQJZQYJIFGXOM-HNNXBMFYSA-N 1 2 331.445 1.874 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000414107137 447274622 /nfs/dbraw/zinc/27/46/22/447274622.db2.gz JPHQPHJNDFDWHM-PBHICJAKSA-N 1 2 336.436 1.084 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000414107137 447274629 /nfs/dbraw/zinc/27/46/29/447274629.db2.gz JPHQPHJNDFDWHM-PBHICJAKSA-N 1 2 336.436 1.084 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnnn1Cc1cccs1 ZINC000414111142 447274953 /nfs/dbraw/zinc/27/49/53/447274953.db2.gz PFUMIOTXPKNYAQ-NSHDSACASA-N 1 2 338.462 1.081 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnnn1Cc1cccs1 ZINC000414111142 447274957 /nfs/dbraw/zinc/27/49/57/447274957.db2.gz PFUMIOTXPKNYAQ-NSHDSACASA-N 1 2 338.462 1.081 20 30 EDEDLO CCN(CC)C(=O)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414154733 447277898 /nfs/dbraw/zinc/27/78/98/447277898.db2.gz UEQFKFNJRRDFLS-MRXNPFEDSA-N 1 2 333.432 1.754 20 30 EDEDLO CCN(CC)C(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414154733 447277903 /nfs/dbraw/zinc/27/79/03/447277903.db2.gz UEQFKFNJRRDFLS-MRXNPFEDSA-N 1 2 333.432 1.754 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccn(CC(F)(F)F)n1 ZINC000450463199 447497075 /nfs/dbraw/zinc/49/70/75/447497075.db2.gz MXUCDQQPEDPWTD-UHFFFAOYSA-N 1 2 345.369 1.493 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(C[C@H](c2ccccc2)[NH+]2CCOCC2)C1=O ZINC000419960247 447515565 /nfs/dbraw/zinc/51/55/65/447515565.db2.gz XSOYVFQRRAQTMT-DLBZAZTESA-N 1 2 343.427 1.947 20 30 EDEDLO Cn1c2ccc(CN(CCC#N)CC[NH+]3CCOCC3)cc2oc1=O ZINC000428467289 447703224 /nfs/dbraw/zinc/70/32/24/447703224.db2.gz XWHORTYBYPMOOZ-UHFFFAOYSA-N 1 2 344.415 1.179 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459643391 447729677 /nfs/dbraw/zinc/72/96/77/447729677.db2.gz HZBLVPVUSSBXMN-PIGZYNQJSA-N 1 2 349.456 1.255 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@](O)(CO)C1 ZINC000459643391 447729682 /nfs/dbraw/zinc/72/96/82/447729682.db2.gz HZBLVPVUSSBXMN-PIGZYNQJSA-N 1 2 349.456 1.255 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3nn[nH]c3C2)c(OC)c1 ZINC000429319769 447738096 /nfs/dbraw/zinc/73/80/96/447738096.db2.gz VOKDBNBCEGDCQR-AWEZNQCLSA-N 1 2 344.415 1.340 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3nn[nH]c3C2)c(OC)c1 ZINC000429319769 447738102 /nfs/dbraw/zinc/73/81/02/447738102.db2.gz VOKDBNBCEGDCQR-AWEZNQCLSA-N 1 2 344.415 1.340 20 30 EDEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000451879162 447772316 /nfs/dbraw/zinc/77/23/16/447772316.db2.gz PMLJEBAEBBPTPM-SWLSCSKDSA-N 1 2 346.397 1.611 20 30 EDEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000451879162 447772321 /nfs/dbraw/zinc/77/23/21/447772321.db2.gz PMLJEBAEBBPTPM-SWLSCSKDSA-N 1 2 346.397 1.611 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000496515462 447801599 /nfs/dbraw/zinc/80/15/99/447801599.db2.gz UOYUUZKVSFMYEE-CQSZACIVSA-N 1 2 341.371 1.881 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000496515462 447801601 /nfs/dbraw/zinc/80/16/01/447801601.db2.gz UOYUUZKVSFMYEE-CQSZACIVSA-N 1 2 341.371 1.881 20 30 EDEDLO N#Cc1ccc(C(F)(F)F)nc1SC[C@@H](O)C[NH+]1CCOCC1 ZINC000488577202 447849185 /nfs/dbraw/zinc/84/91/85/447849185.db2.gz WRLUNTRWRAZJLW-NSHDSACASA-N 1 2 347.362 1.757 20 30 EDEDLO CN1C[C@H](C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)OC1=O ZINC000497123979 447872835 /nfs/dbraw/zinc/87/28/35/447872835.db2.gz CKLVGQAEFMRXCT-HZPDHXFCSA-N 1 2 348.834 1.973 20 30 EDEDLO C#CCCCCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496759668 447888867 /nfs/dbraw/zinc/88/88/67/447888867.db2.gz QLIOBUGNDIXDLP-HNNXBMFYSA-N 1 2 337.464 1.847 20 30 EDEDLO C#CCCCCC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496759668 447888872 /nfs/dbraw/zinc/88/88/72/447888872.db2.gz QLIOBUGNDIXDLP-HNNXBMFYSA-N 1 2 337.464 1.847 20 30 EDEDLO C#Cc1cnc(NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000496768028 447896268 /nfs/dbraw/zinc/89/62/68/447896268.db2.gz BAYOUIKVHJIXRS-UHFFFAOYSA-N 1 2 345.447 1.813 20 30 EDEDLO Cc1[nH+]c2ccc(C(=O)NC[C@@H]3CCCN(CC#N)C3)cc2n1C ZINC000530539856 447909803 /nfs/dbraw/zinc/90/98/03/447909803.db2.gz UQNHJLOWMRKQDB-AWEZNQCLSA-N 1 2 325.416 1.847 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CCCC)n2C[C@@H]2CCCCO2)CC1 ZINC000491165849 447946597 /nfs/dbraw/zinc/94/65/97/447946597.db2.gz NNIHGCAEYLLCER-KRWDZBQOSA-N 1 2 345.491 1.945 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cn2cc(Br)cn2)CC1 ZINC000491200977 447953676 /nfs/dbraw/zinc/95/36/76/447953676.db2.gz DRKRFIDTBLBDLD-UHFFFAOYSA-N 1 2 325.210 1.065 20 30 EDEDLO CCOC(=O)N(C)C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000491111771 447925649 /nfs/dbraw/zinc/92/56/49/447925649.db2.gz DEMDNWAFFVOGRA-QGZVFWFLSA-N 1 2 336.436 1.348 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCCO2)CC1 ZINC000491121636 447930619 /nfs/dbraw/zinc/93/06/19/447930619.db2.gz RLPGTEOZDSFIJH-INIZCTEOSA-N 1 2 345.491 1.900 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000570824462 448070440 /nfs/dbraw/zinc/07/04/40/448070440.db2.gz QPPPIHRSPZUFIX-JTQLQIEISA-N 1 2 327.381 1.450 20 30 EDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000491654010 448072719 /nfs/dbraw/zinc/07/27/19/448072719.db2.gz FFENWFBUWSQHFC-CABCVRRESA-N 1 2 326.396 1.592 20 30 EDEDLO C#C[C@H](CC)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000491747103 448101935 /nfs/dbraw/zinc/10/19/35/448101935.db2.gz CHPGWTZGNPMJEF-CABCVRRESA-N 1 2 334.489 1.748 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](C)C[C@H]2OCCc3ccccc32)CC1 ZINC000491619019 448067582 /nfs/dbraw/zinc/06/75/82/448067582.db2.gz DLNVBPTWUWAJNG-LJQANCHMSA-N 1 2 341.455 1.010 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](C)C[C@H]2OCCc3ccccc32)CC1 ZINC000491619019 448067587 /nfs/dbraw/zinc/06/75/87/448067587.db2.gz DLNVBPTWUWAJNG-LJQANCHMSA-N 1 2 341.455 1.010 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCc2ccccc2O1 ZINC000556824704 448162072 /nfs/dbraw/zinc/16/20/72/448162072.db2.gz VIRBDPRYGCEYMX-GOSISDBHSA-N 1 2 343.427 1.455 20 30 EDEDLO N#CCSc1ccccc1NC(=O)CN1CCn2cc[nH+]c2C1 ZINC000507372534 448141107 /nfs/dbraw/zinc/14/11/07/448141107.db2.gz QXHXTTINKPVHPZ-UHFFFAOYSA-N 1 2 327.413 1.953 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000562026527 448241057 /nfs/dbraw/zinc/24/10/57/448241057.db2.gz WAXODPNEEIIGRO-JKSUJKDBSA-N 1 2 337.464 1.171 20 30 EDEDLO Cc1ccnc(OC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)c1 ZINC000527384842 448222464 /nfs/dbraw/zinc/22/24/64/448222464.db2.gz IQZRHQGXWSSNPK-UHFFFAOYSA-N 1 2 328.416 1.796 20 30 EDEDLO CC(C)[N@H+](CC(=O)NC1(C#N)CCC1)CC(=O)N1CCCCCC1 ZINC000560506304 448223053 /nfs/dbraw/zinc/22/30/53/448223053.db2.gz CLQZASRLCPILCJ-UHFFFAOYSA-N 1 2 334.464 1.662 20 30 EDEDLO CC(C)[N@@H+](CC(=O)NC1(C#N)CCC1)CC(=O)N1CCCCCC1 ZINC000560506304 448223055 /nfs/dbraw/zinc/22/30/55/448223055.db2.gz CLQZASRLCPILCJ-UHFFFAOYSA-N 1 2 334.464 1.662 20 30 EDEDLO N#CC1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000591381597 448350042 /nfs/dbraw/zinc/35/00/42/448350042.db2.gz BAOMDEVVHQCJFL-KRWDZBQOSA-N 1 2 342.443 1.880 20 30 EDEDLO N#CC1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000591381597 448350049 /nfs/dbraw/zinc/35/00/49/448350049.db2.gz BAOMDEVVHQCJFL-KRWDZBQOSA-N 1 2 342.443 1.880 20 30 EDEDLO CCc1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1-c1ccccc1F ZINC000565050442 448352961 /nfs/dbraw/zinc/35/29/61/448352961.db2.gz CLAMISBVOWEZOE-QGZVFWFLSA-N 1 2 344.394 1.542 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CSc1ccc2c(c1)OCCO2 ZINC000565051378 448353021 /nfs/dbraw/zinc/35/30/21/448353021.db2.gz MNFGAUWLWJXPBI-MRXNPFEDSA-N 1 2 335.429 1.510 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000565170658 448357619 /nfs/dbraw/zinc/35/76/19/448357619.db2.gz LFCKMRVHDQFANU-NSHDSACASA-N 1 2 331.355 1.330 20 30 EDEDLO C=C1CC[NH+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC000532958660 448336313 /nfs/dbraw/zinc/33/63/13/448336313.db2.gz WDTSWYHIVUCFNO-ZDUSSCGKSA-N 1 2 349.456 1.264 20 30 EDEDLO CCC(C#N)(CC)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000527985999 448405004 /nfs/dbraw/zinc/40/50/04/448405004.db2.gz OTOVIRFMUPHKOA-UHFFFAOYSA-N 1 2 342.443 1.760 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000517078363 448536371 /nfs/dbraw/zinc/53/63/71/448536371.db2.gz WEVYVZJFJZTPHH-SJORKVTESA-N 1 2 345.443 1.866 20 30 EDEDLO CCn1cc(C[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cn1 ZINC000539249903 448605346 /nfs/dbraw/zinc/60/53/46/448605346.db2.gz PKNCRZMQLNZABO-QGZVFWFLSA-N 1 2 346.479 1.027 20 30 EDEDLO CCn1cc(C[N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cn1 ZINC000539249903 448605351 /nfs/dbraw/zinc/60/53/51/448605351.db2.gz PKNCRZMQLNZABO-QGZVFWFLSA-N 1 2 346.479 1.027 20 30 EDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528549218 448582102 /nfs/dbraw/zinc/58/21/02/448582102.db2.gz BTIHCDCQLHMNGO-OSAQELSMSA-N 1 2 344.333 1.950 20 30 EDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528549218 448582105 /nfs/dbraw/zinc/58/21/05/448582105.db2.gz BTIHCDCQLHMNGO-OSAQELSMSA-N 1 2 344.333 1.950 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578870770 448657808 /nfs/dbraw/zinc/65/78/08/448657808.db2.gz DJAZCINNLOCBQY-CYBMUJFWSA-N 1 2 335.385 1.947 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578870770 448657812 /nfs/dbraw/zinc/65/78/12/448657812.db2.gz DJAZCINNLOCBQY-CYBMUJFWSA-N 1 2 335.385 1.947 20 30 EDEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592146819 448707201 /nfs/dbraw/zinc/70/72/01/448707201.db2.gz GINRUCSGEZQSAP-LJQANCHMSA-N 1 2 329.444 1.819 20 30 EDEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592146819 448707203 /nfs/dbraw/zinc/70/72/03/448707203.db2.gz GINRUCSGEZQSAP-LJQANCHMSA-N 1 2 329.444 1.819 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c([N+](=O)[O-])c1 ZINC000592149012 448709267 /nfs/dbraw/zinc/70/92/67/448709267.db2.gz GWILDMRDDYQBRI-BDJLRTHQSA-N 1 2 348.359 1.281 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c([N+](=O)[O-])c1 ZINC000592149012 448709270 /nfs/dbraw/zinc/70/92/70/448709270.db2.gz GWILDMRDDYQBRI-BDJLRTHQSA-N 1 2 348.359 1.281 20 30 EDEDLO CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149219 448710738 /nfs/dbraw/zinc/71/07/38/448710738.db2.gz KUXLDXHXKFTCEV-HXUWFJFHSA-N 1 2 343.471 1.993 20 30 EDEDLO CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149219 448710742 /nfs/dbraw/zinc/71/07/42/448710742.db2.gz KUXLDXHXKFTCEV-HXUWFJFHSA-N 1 2 343.471 1.993 20 30 EDEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1C ZINC000592149262 448710796 /nfs/dbraw/zinc/71/07/96/448710796.db2.gz LWSKTQOHSQDCIS-KRWDZBQOSA-N 1 2 330.388 1.302 20 30 EDEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1C ZINC000592149262 448710798 /nfs/dbraw/zinc/71/07/98/448710798.db2.gz LWSKTQOHSQDCIS-KRWDZBQOSA-N 1 2 330.388 1.302 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)CCNC(C)=O)cc1 ZINC000592152111 448713049 /nfs/dbraw/zinc/71/30/49/448713049.db2.gz UUHKHHKIRAROIU-UHFFFAOYSA-N 1 2 346.431 1.400 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)CCNC(C)=O)cc1 ZINC000592152111 448713053 /nfs/dbraw/zinc/71/30/53/448713053.db2.gz UUHKHHKIRAROIU-UHFFFAOYSA-N 1 2 346.431 1.400 20 30 EDEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000592197835 448736380 /nfs/dbraw/zinc/73/63/80/448736380.db2.gz NIICVUDQSSTEBL-STQMWFEESA-N 1 2 340.326 1.515 20 30 EDEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000592197835 448736383 /nfs/dbraw/zinc/73/63/83/448736383.db2.gz NIICVUDQSSTEBL-STQMWFEESA-N 1 2 340.326 1.515 20 30 EDEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CCC1 ZINC000574081090 448786387 /nfs/dbraw/zinc/78/63/87/448786387.db2.gz GKEYJVYCCFPZMX-HUUCEWRRSA-N 1 2 341.477 1.243 20 30 EDEDLO N#Cc1cc(O)cc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000589163355 448979106 /nfs/dbraw/zinc/97/91/06/448979106.db2.gz ZHKCEBKRZMMFER-UHFFFAOYSA-N 1 2 338.367 1.425 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000589551235 449032245 /nfs/dbraw/zinc/03/22/45/449032245.db2.gz JOUMYZUOXSEJOK-UHFFFAOYSA-N 1 2 326.341 1.335 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593591657 449094667 /nfs/dbraw/zinc/09/46/67/449094667.db2.gz ZPHSWDTWHGFZOK-UHFFFAOYSA-N 1 2 348.453 1.834 20 30 EDEDLO CO[C@@]1(CO)CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000595662054 449104233 /nfs/dbraw/zinc/10/42/33/449104233.db2.gz ZEPMFTIZQICRLF-CJNGLKHVSA-N 1 2 335.429 1.198 20 30 EDEDLO CO[C@@]1(CO)CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000595662054 449104236 /nfs/dbraw/zinc/10/42/36/449104236.db2.gz ZEPMFTIZQICRLF-CJNGLKHVSA-N 1 2 335.429 1.198 20 30 EDEDLO Cc1cc(F)ccc1-n1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n1 ZINC000593154982 449153660 /nfs/dbraw/zinc/15/36/60/449153660.db2.gz TUMMJZRLQBHTHJ-QGZVFWFLSA-N 1 2 329.379 1.894 20 30 EDEDLO CC[C@H]([NH2+]CC(=O)N(CC)CCC#N)c1nnc2n1CCCCC2 ZINC000595799879 449172527 /nfs/dbraw/zinc/17/25/27/449172527.db2.gz JLXZREIADUEVGD-AWEZNQCLSA-N 1 2 332.452 1.807 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@@](C)(C#N)C2)c(OC)c1 ZINC000595836124 449200037 /nfs/dbraw/zinc/20/00/37/449200037.db2.gz VXVVJXXOTOETAS-KDOFPFPSSA-N 1 2 348.399 1.457 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CC[C@@](C)(C#N)C2)c(OC)c1 ZINC000595836124 449200042 /nfs/dbraw/zinc/20/00/42/449200042.db2.gz VXVVJXXOTOETAS-KDOFPFPSSA-N 1 2 348.399 1.457 20 30 EDEDLO CC(C)Oc1cccc(CNC(=O)C[NH+]2CCN(CCC#N)CC2)c1 ZINC000611175046 449200601 /nfs/dbraw/zinc/20/06/01/449200601.db2.gz VWYSQSCIRRLHPJ-UHFFFAOYSA-N 1 2 344.459 1.621 20 30 EDEDLO C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCN(CCC#N)CC1 ZINC000611175055 449201352 /nfs/dbraw/zinc/20/13/52/449201352.db2.gz VZZOJYPSKPRILH-CQSZACIVSA-N 1 2 332.473 1.553 20 30 EDEDLO COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCN(CCC#N)CC2)c1 ZINC000611175559 449201945 /nfs/dbraw/zinc/20/19/45/449201945.db2.gz IEOIAJLQILSMGJ-OAHLLOKOSA-N 1 2 330.432 1.231 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996619 449181203 /nfs/dbraw/zinc/18/12/03/449181203.db2.gz KIJZDVPQUGJJOE-RRFJBIMHSA-N 1 2 331.416 1.551 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996619 449181208 /nfs/dbraw/zinc/18/12/08/449181208.db2.gz KIJZDVPQUGJJOE-RRFJBIMHSA-N 1 2 331.416 1.551 20 30 EDEDLO C[C@H](NC(=O)N1Cc2cccc(C#N)c2C1)[C@H](C)[NH+]1CCOCC1 ZINC000593340251 449234590 /nfs/dbraw/zinc/23/45/90/449234590.db2.gz XPWHPHWSVKQZCF-KBPBESRZSA-N 1 2 328.416 1.693 20 30 EDEDLO CN(Cc1ccccc1)C1C[NH+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000601957914 449245227 /nfs/dbraw/zinc/24/52/27/449245227.db2.gz KBPIWPLERNNFKE-LJQANCHMSA-N 1 2 343.471 1.874 20 30 EDEDLO Cc1ccc(C#N)nc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000611398855 449279943 /nfs/dbraw/zinc/27/99/43/449279943.db2.gz KSQIDMCPDVHLSZ-MRXNPFEDSA-N 1 2 341.459 1.785 20 30 EDEDLO CN1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000596070283 449347132 /nfs/dbraw/zinc/34/71/32/449347132.db2.gz QDJRNCMCFRKBAL-RBUKOAKNSA-N 1 2 325.460 1.836 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1cccc(C#N)c1)C(C)(C)CO ZINC000596127235 449377652 /nfs/dbraw/zinc/37/76/52/449377652.db2.gz WZZGSFOGGNOBSG-OAHLLOKOSA-N 1 2 341.415 1.851 20 30 EDEDLO N#Cc1c(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)[nH]nc1N1CCOCC1 ZINC000602197669 449425889 /nfs/dbraw/zinc/42/58/89/449425889.db2.gz NKWUIDCGVVHMBU-AWEZNQCLSA-N 1 2 344.419 1.073 20 30 EDEDLO N#Cc1c(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)[nH]nc1N1CCOCC1 ZINC000602197669 449425890 /nfs/dbraw/zinc/42/58/90/449425890.db2.gz NKWUIDCGVVHMBU-AWEZNQCLSA-N 1 2 344.419 1.073 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594318159 449446332 /nfs/dbraw/zinc/44/63/32/449446332.db2.gz LDADJZFIOONSBO-CRAIPNDOSA-N 1 2 327.428 1.670 20 30 EDEDLO COc1ccc(-c2nc(CNC(=O)[C@@H]([NH3+])CCCCC#N)n[nH]2)cc1 ZINC000594434276 449513779 /nfs/dbraw/zinc/51/37/79/449513779.db2.gz MHVZMOWARIMADE-AWEZNQCLSA-N 1 2 342.403 1.508 20 30 EDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000598739296 449573724 /nfs/dbraw/zinc/57/37/24/449573724.db2.gz XSHWTKOUTAFZLJ-LBPRGKRZSA-N 1 2 325.372 1.382 20 30 EDEDLO CCOC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)on1 ZINC000602438863 449587900 /nfs/dbraw/zinc/58/79/00/449587900.db2.gz CGFISEDYURUPAA-UHFFFAOYSA-N 1 2 341.371 1.440 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602438331 449586031 /nfs/dbraw/zinc/58/60/31/449586031.db2.gz HDRVZJPYPUEDLG-MRXNPFEDSA-N 1 2 341.459 1.472 20 30 EDEDLO C[C@]1(C#N)CCCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000612162817 449594063 /nfs/dbraw/zinc/59/40/63/449594063.db2.gz MXPSCEYZPDYEMN-GOSISDBHSA-N 1 2 330.432 1.549 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000598836474 449615062 /nfs/dbraw/zinc/61/50/62/449615062.db2.gz KGBINSKXPZELOK-OTYXRUKQSA-N 1 2 343.353 1.493 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cccc(C#N)n1 ZINC000602477243 449622500 /nfs/dbraw/zinc/62/25/00/449622500.db2.gz ZSKYOKYGSVGTSS-GOSISDBHSA-N 1 2 346.394 1.583 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3cccc(C#N)c3)nn2)C1 ZINC000600970116 449623472 /nfs/dbraw/zinc/62/34/72/449623472.db2.gz GAAZWLIWYOEHLE-CQSZACIVSA-N 1 2 325.372 1.524 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cn(-c3cccc(C#N)c3)nn2)C1 ZINC000600970116 449623481 /nfs/dbraw/zinc/62/34/81/449623481.db2.gz GAAZWLIWYOEHLE-CQSZACIVSA-N 1 2 325.372 1.524 20 30 EDEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000607633307 449628142 /nfs/dbraw/zinc/62/81/42/449628142.db2.gz KQCZMIRQOZZEEL-INIZCTEOSA-N 1 2 331.460 1.812 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000607633307 449628146 /nfs/dbraw/zinc/62/81/46/449628146.db2.gz KQCZMIRQOZZEEL-INIZCTEOSA-N 1 2 331.460 1.812 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000594803132 449715525 /nfs/dbraw/zinc/71/55/25/449715525.db2.gz JQMJFSKQWGJSDF-ZDUSSCGKSA-N 1 2 337.449 1.250 20 30 EDEDLO CC1CC(n2nnc3c2C[N@H+](Cc2cnc4c(C#N)cnn4c2)CC3)C1 ZINC000602742400 449777361 /nfs/dbraw/zinc/77/73/61/449777361.db2.gz YKXXQLMNSFKFET-UHFFFAOYSA-N 1 2 348.414 1.722 20 30 EDEDLO CC1CC(n2nnc3c2C[N@@H+](Cc2cnc4c(C#N)cnn4c2)CC3)C1 ZINC000602742400 449777363 /nfs/dbraw/zinc/77/73/63/449777363.db2.gz YKXXQLMNSFKFET-UHFFFAOYSA-N 1 2 348.414 1.722 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc([N+](=O)[O-])cc1C#N ZINC000599131238 449754209 /nfs/dbraw/zinc/75/42/09/449754209.db2.gz OLATUMCFYPWBQM-KRWDZBQOSA-N 1 2 346.387 1.494 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc([N+](=O)[O-])cc1C#N ZINC000599131238 449754214 /nfs/dbraw/zinc/75/42/14/449754214.db2.gz OLATUMCFYPWBQM-KRWDZBQOSA-N 1 2 346.387 1.494 20 30 EDEDLO CC(C)(CNC(=O)CSc1ccncc1C#N)[NH+]1CCOCC1 ZINC000594909539 449803471 /nfs/dbraw/zinc/80/34/71/449803471.db2.gz OGPOCWCTCWKBNY-UHFFFAOYSA-N 1 2 334.445 1.272 20 30 EDEDLO COCc1cccc(CNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602865390 449874837 /nfs/dbraw/zinc/87/48/37/449874837.db2.gz SOPJZDCLYGIBSF-HZPDHXFCSA-N 1 2 344.459 1.367 20 30 EDEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602865612 449875324 /nfs/dbraw/zinc/87/53/24/449875324.db2.gz UGBOLVFLBGMPIS-LZWOXQAQSA-N 1 2 347.463 2.399 20 30 EDEDLO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602865612 449875328 /nfs/dbraw/zinc/87/53/28/449875328.db2.gz UGBOLVFLBGMPIS-LZWOXQAQSA-N 1 2 347.463 2.399 20 30 EDEDLO C=C[C@H](O)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000612788275 449879385 /nfs/dbraw/zinc/87/93/85/449879385.db2.gz VVWAVELJFHRRSX-JLSDUUJJSA-N 1 2 331.460 1.996 20 30 EDEDLO C=C[C@H](O)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000612788275 449879387 /nfs/dbraw/zinc/87/93/87/449879387.db2.gz VVWAVELJFHRRSX-JLSDUUJJSA-N 1 2 331.460 1.996 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCOC2CCOCC2)CC1 ZINC000599314216 449885197 /nfs/dbraw/zinc/88/51/97/449885197.db2.gz YPKYZUKPSUDCMF-UHFFFAOYSA-N 1 2 346.431 1.741 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599372329 449927279 /nfs/dbraw/zinc/92/72/79/449927279.db2.gz ZDEPKSMPBZLAIJ-KBMXLJTQSA-N 1 2 332.400 1.571 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599372329 449927286 /nfs/dbraw/zinc/92/72/86/449927286.db2.gz ZDEPKSMPBZLAIJ-KBMXLJTQSA-N 1 2 332.400 1.571 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC[S@@](=O)C1 ZINC000617896752 449908665 /nfs/dbraw/zinc/90/86/65/449908665.db2.gz CXCXMGHSSGAGJU-KKAKJJSRSA-N 1 2 336.457 1.193 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC[S@@](=O)C1 ZINC000617896752 449908676 /nfs/dbraw/zinc/90/86/76/449908676.db2.gz CXCXMGHSSGAGJU-KKAKJJSRSA-N 1 2 336.457 1.193 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602922639 449922717 /nfs/dbraw/zinc/92/27/17/449922717.db2.gz ADFFVSCTSAUKBO-WFEDQXDTSA-N 1 2 345.443 1.553 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602922639 449922720 /nfs/dbraw/zinc/92/27/20/449922720.db2.gz ADFFVSCTSAUKBO-WFEDQXDTSA-N 1 2 345.443 1.553 20 30 EDEDLO CCOC(=O)C[C@@H](O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000599367738 449923219 /nfs/dbraw/zinc/92/32/19/449923219.db2.gz YVTMXWXJAAVGFQ-SJORKVTESA-N 1 2 349.406 1.322 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc2ccccc2n1CC#N ZINC000609178413 449973200 /nfs/dbraw/zinc/97/32/00/449973200.db2.gz XXVAROUHANMNHC-CQSZACIVSA-N 1 2 326.400 1.615 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc2ccccc2n1CC#N ZINC000609178413 449973203 /nfs/dbraw/zinc/97/32/03/449973203.db2.gz XXVAROUHANMNHC-CQSZACIVSA-N 1 2 326.400 1.615 20 30 EDEDLO Cc1nc(N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)cc[nH+]1 ZINC000597504730 450067620 /nfs/dbraw/zinc/06/76/20/450067620.db2.gz PTAOGSJNGPULHP-UHFFFAOYSA-N 1 2 329.404 1.144 20 30 EDEDLO N#Cc1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000609432938 450027799 /nfs/dbraw/zinc/02/77/99/450027799.db2.gz JNXVLLCVGPPSAC-UHFFFAOYSA-N 1 2 340.387 1.731 20 30 EDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597511515 450073595 /nfs/dbraw/zinc/07/35/95/450073595.db2.gz NNVSETREWVNXNT-ZDUSSCGKSA-N 1 2 347.382 1.914 20 30 EDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597511515 450073604 /nfs/dbraw/zinc/07/36/04/450073604.db2.gz NNVSETREWVNXNT-ZDUSSCGKSA-N 1 2 347.382 1.914 20 30 EDEDLO CCOC1CC(CNC(=O)C2(C#N)CC3(CC3)C2)([NH+]2CCOCC2)C1 ZINC000601537708 450058528 /nfs/dbraw/zinc/05/85/28/450058528.db2.gz DDEOQKKMIAVUKY-UHFFFAOYSA-N 1 2 347.459 1.456 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000609631464 450077222 /nfs/dbraw/zinc/07/72/22/450077222.db2.gz HKDBMBSIGBHDRV-MJGOQNOKSA-N 1 2 342.487 1.900 20 30 EDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000599582852 450083452 /nfs/dbraw/zinc/08/34/52/450083452.db2.gz RTNNGPREHUMEJN-HZPDHXFCSA-N 1 2 330.384 1.527 20 30 EDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000599582852 450083453 /nfs/dbraw/zinc/08/34/53/450083453.db2.gz RTNNGPREHUMEJN-HZPDHXFCSA-N 1 2 330.384 1.527 20 30 EDEDLO N#C[C@@H]1CC[C@H]([NH+]2CC(S(=O)(=O)N3CCc4ccccc43)C2)C1 ZINC000595443627 450146676 /nfs/dbraw/zinc/14/66/76/450146676.db2.gz CFIDYMWJHATQGQ-HIFRSBDPSA-N 1 2 331.441 1.755 20 30 EDEDLO CC(C)(C(=O)N1CC(Nc2cccc(C#N)c2)C1)[NH+]1CCOCC1 ZINC000601680050 450165013 /nfs/dbraw/zinc/16/50/13/450165013.db2.gz KTVDCAMOJZZBCD-UHFFFAOYSA-N 1 2 328.416 1.292 20 30 EDEDLO CN(C)[C@@H](C(=O)N1CC(Nc2cccc(C#N)c2)C1)c1c[nH+]cn1C ZINC000601681560 450167227 /nfs/dbraw/zinc/16/72/27/450167227.db2.gz YKRXNAOVNUFOJT-QGZVFWFLSA-N 1 2 338.415 1.217 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)C[C@H]1C[N@H+](C)CCO1 ZINC000601739328 450204374 /nfs/dbraw/zinc/20/43/74/450204374.db2.gz QZTKQIRBVLROSX-SJLPKXTDSA-N 1 2 345.443 1.751 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)C[C@H]1C[N@@H+](C)CCO1 ZINC000601739328 450204379 /nfs/dbraw/zinc/20/43/79/450204379.db2.gz QZTKQIRBVLROSX-SJLPKXTDSA-N 1 2 345.443 1.751 20 30 EDEDLO Cc1cc(NC(=O)NC[C@H]2COCC[N@@H+]2C)c(C#N)cc1N(C)C ZINC000599786899 450217137 /nfs/dbraw/zinc/21/71/37/450217137.db2.gz GUFZHLSMZGIHDX-AWEZNQCLSA-N 1 2 331.420 1.385 20 30 EDEDLO Cc1cc(NC(=O)NC[C@H]2COCC[N@H+]2C)c(C#N)cc1N(C)C ZINC000599786899 450217147 /nfs/dbraw/zinc/21/71/47/450217147.db2.gz GUFZHLSMZGIHDX-AWEZNQCLSA-N 1 2 331.420 1.385 20 30 EDEDLO N#CC1(Cn2cc(Cn3cc[nH+]c3CN3CCOCC3)nn2)CCC1 ZINC000603255568 450183451 /nfs/dbraw/zinc/18/34/51/450183451.db2.gz GVNXLZLIVXSGHP-UHFFFAOYSA-N 1 2 341.419 1.049 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618732917 450288413 /nfs/dbraw/zinc/28/84/13/450288413.db2.gz ZFMQXWNTHCWHQW-INIZCTEOSA-N 1 2 328.416 1.118 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618732917 450288419 /nfs/dbraw/zinc/28/84/19/450288419.db2.gz ZFMQXWNTHCWHQW-INIZCTEOSA-N 1 2 328.416 1.118 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000610686606 450299645 /nfs/dbraw/zinc/29/96/45/450299645.db2.gz KSUJHLLDWVHPJW-CYBMUJFWSA-N 1 2 347.386 1.039 20 30 EDEDLO C=C[C@@](C)(O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000613766749 450306504 /nfs/dbraw/zinc/30/65/04/450306504.db2.gz LHRJJNVZZLUDHD-GOSISDBHSA-N 1 2 331.416 1.226 20 30 EDEDLO Cc1cccn2cc(CCNS(=O)(=O)N(C)C[C@@H](C)C#N)[nH+]c12 ZINC000619711393 450315366 /nfs/dbraw/zinc/31/53/66/450315366.db2.gz YMLQWMBQOOBNFE-LBPRGKRZSA-N 1 2 335.433 1.111 20 30 EDEDLO N#Cc1cccc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)c1 ZINC000619872763 450348629 /nfs/dbraw/zinc/34/86/29/450348629.db2.gz JZQZVILBZKBUHQ-UHFFFAOYSA-N 1 2 325.372 1.857 20 30 EDEDLO C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000613935497 450364643 /nfs/dbraw/zinc/36/46/43/450364643.db2.gz AOIREUHBIYSSFS-GWCFXTLKSA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000613935497 450364648 /nfs/dbraw/zinc/36/46/48/450364648.db2.gz AOIREUHBIYSSFS-GWCFXTLKSA-N 1 2 343.836 1.209 20 30 EDEDLO C=CCC(C)(C)C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619942258 450380042 /nfs/dbraw/zinc/38/00/42/450380042.db2.gz QZQLZDFAMLELTO-FQEVSTJZSA-N 1 2 346.471 1.968 20 30 EDEDLO C=CCC(C)(C)C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619942258 450380044 /nfs/dbraw/zinc/38/00/44/450380044.db2.gz QZQLZDFAMLELTO-FQEVSTJZSA-N 1 2 346.471 1.968 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000623990143 450661949 /nfs/dbraw/zinc/66/19/49/450661949.db2.gz UYGDWPDGFIHEKD-HUUCEWRRSA-N 1 2 334.420 1.133 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cccc3nsnc32)nn1 ZINC000640839474 451625302 /nfs/dbraw/zinc/62/53/02/451625302.db2.gz VOEMENABRFYOFI-UHFFFAOYSA-N 1 2 341.400 1.034 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(Cl)c(F)c2)nn1 ZINC000640960426 451705995 /nfs/dbraw/zinc/70/59/95/451705995.db2.gz GQXZKASTPXIOHZ-UHFFFAOYSA-N 1 2 335.770 1.822 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2cc(C)ccc2C)nn1 ZINC000641206161 451780869 /nfs/dbraw/zinc/78/08/69/451780869.db2.gz OYSKZMXTCUGQQZ-KRWDZBQOSA-N 1 2 328.416 1.448 20 30 EDEDLO C=CCC[C@H]1NC(=O)N(Cc2cc[nH+]c(N3CCOCC3)c2)C1=O ZINC000642927079 451993821 /nfs/dbraw/zinc/99/38/21/451993821.db2.gz KECIBJNUIWTVKT-CQSZACIVSA-N 1 2 330.388 1.305 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000648094131 452813599 /nfs/dbraw/zinc/81/35/99/452813599.db2.gz TXYIPGLWHXPBMS-MSOLQXFVSA-N 1 2 330.428 1.726 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000656324084 453072365 /nfs/dbraw/zinc/07/23/65/453072365.db2.gz KNWFMMWEWCIHOB-HNNXBMFYSA-N 1 2 330.432 1.639 20 30 EDEDLO C=CCn1cc(C(=O)N2CCCN(Cc3[nH+]ccn3CC)CC2)nn1 ZINC000648771650 453249669 /nfs/dbraw/zinc/24/96/69/453249669.db2.gz BBSLBHPXXCWNDV-UHFFFAOYSA-N 1 2 343.435 1.029 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651332206 453477433 /nfs/dbraw/zinc/47/74/33/453477433.db2.gz PSYROIKMXSFESM-IAGOWNOFSA-N 1 2 340.427 1.777 20 30 EDEDLO C=CCOCCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000663438981 453798634 /nfs/dbraw/zinc/79/86/34/453798634.db2.gz XSFYWJQZHKUCEP-GOSISDBHSA-N 1 2 347.459 1.779 20 30 EDEDLO C=CCOCCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000663438981 453798636 /nfs/dbraw/zinc/79/86/36/453798636.db2.gz XSFYWJQZHKUCEP-GOSISDBHSA-N 1 2 347.459 1.779 20 30 EDEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661377734 453803126 /nfs/dbraw/zinc/80/31/26/453803126.db2.gz SLOYJFVFOLWZPI-GJZGRUSLSA-N 1 2 328.478 1.310 20 30 EDEDLO C=CC[C@H]1CCC[N@H+](CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661377734 453803128 /nfs/dbraw/zinc/80/31/28/453803128.db2.gz SLOYJFVFOLWZPI-GJZGRUSLSA-N 1 2 328.478 1.310 20 30 EDEDLO C=C(C)C[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccc(CO)o1 ZINC000671720854 486731232 /nfs/dbraw/zinc/73/12/32/486731232.db2.gz LBBXIXIULNARNP-GOSISDBHSA-N 1 2 348.443 1.787 20 30 EDEDLO C=C(C)C[N@@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccc(CO)o1 ZINC000671720854 486731237 /nfs/dbraw/zinc/73/12/37/486731237.db2.gz LBBXIXIULNARNP-GOSISDBHSA-N 1 2 348.443 1.787 20 30 EDEDLO COCC#CC[NH+]1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000677818119 487174753 /nfs/dbraw/zinc/17/47/53/487174753.db2.gz ZQRUBLLKZUEFPM-UHFFFAOYSA-N 1 2 329.444 1.509 20 30 EDEDLO COCC#CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 ZINC000677818064 487174948 /nfs/dbraw/zinc/17/49/48/487174948.db2.gz STSIMRLRVIBMSB-KRWDZBQOSA-N 1 2 330.428 1.556 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000669020151 485568128 /nfs/dbraw/zinc/56/81/28/485568128.db2.gz RHIJWIAHBCZVFO-CQSZACIVSA-N 1 2 326.400 1.765 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000668361013 485641184 /nfs/dbraw/zinc/64/11/84/485641184.db2.gz PKIQMMHPOSURLG-HNNXBMFYSA-N 1 2 337.464 1.028 20 30 EDEDLO O=C(NO)c1ccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000671996516 485887438 /nfs/dbraw/zinc/88/74/38/485887438.db2.gz SKYBDDGUZFKBGV-UHFFFAOYSA-N 1 2 336.351 1.921 20 30 EDEDLO C=CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000048619338 486218320 /nfs/dbraw/zinc/21/83/20/486218320.db2.gz AHQYCMGCKYNLBS-UHFFFAOYSA-N 1 2 330.432 1.065 20 30 EDEDLO C=CCOc1ccc(C(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000130368024 491005400 /nfs/dbraw/zinc/00/54/00/491005400.db2.gz CICQWGMCCNCBFH-UHFFFAOYSA-N 1 2 334.416 1.018 20 30 EDEDLO Cc1sc(NC(=O)CO[NH+]=C(N)CN2CCOCC2)c(C)c1C ZINC000174150061 534613220 /nfs/dbraw/zinc/61/32/20/534613220.db2.gz SXVLYSDYZSVDQD-UHFFFAOYSA-N 1 2 340.449 1.233 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000340072914 534908704 /nfs/dbraw/zinc/90/87/04/534908704.db2.gz ROHDAYJYJFZDJJ-UHFFFAOYSA-N 1 2 326.360 1.061 20 30 EDEDLO C=CC[N@H+](Cc1cc2ccccc2[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000111236511 526332520 /nfs/dbraw/zinc/33/25/20/526332520.db2.gz WOLYQJINNGEQFZ-OAHLLOKOSA-N 1 2 332.425 1.703 20 30 EDEDLO C=CC[N@@H+](Cc1cc2ccccc2[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000111236511 526332524 /nfs/dbraw/zinc/33/25/24/526332524.db2.gz WOLYQJINNGEQFZ-OAHLLOKOSA-N 1 2 332.425 1.703 20 30 EDEDLO C=C(C)COCCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000135043731 526635642 /nfs/dbraw/zinc/63/56/42/526635642.db2.gz KUIKNDVXKJVVNA-UHFFFAOYSA-N 1 2 347.459 1.985 20 30 EDEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000112128905 526868694 /nfs/dbraw/zinc/86/86/94/526868694.db2.gz DPQPQKKBGNDAJT-UHFFFAOYSA-N 1 2 343.471 1.991 20 30 EDEDLO C=CCOc1ccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000112128905 526868698 /nfs/dbraw/zinc/86/86/98/526868698.db2.gz DPQPQKKBGNDAJT-UHFFFAOYSA-N 1 2 343.471 1.991 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000103494407 527019876 /nfs/dbraw/zinc/01/98/76/527019876.db2.gz UGOLUHCWSMWUME-ZIAGYGMSSA-N 1 2 335.398 1.781 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000177864765 527443622 /nfs/dbraw/zinc/44/36/22/527443622.db2.gz LYGGCWZIFBQHGU-UHFFFAOYSA-N 1 2 343.427 1.176 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000111251264 527606597 /nfs/dbraw/zinc/60/65/97/527606597.db2.gz MTCPMMMZVHTYAO-KRWDZBQOSA-N 1 2 327.428 1.924 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000111251264 527606603 /nfs/dbraw/zinc/60/66/03/527606603.db2.gz MTCPMMMZVHTYAO-KRWDZBQOSA-N 1 2 327.428 1.924 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C2 ZINC000106370993 528326673 /nfs/dbraw/zinc/32/66/73/528326673.db2.gz HHDLUZMZVJFZFT-SFHVURJKSA-N 1 2 331.464 1.956 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159175734 528360851 /nfs/dbraw/zinc/36/08/51/528360851.db2.gz YUOMBGNUWXCMLP-IBGZPJMESA-N 1 2 327.428 1.922 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159175734 528360853 /nfs/dbraw/zinc/36/08/53/528360853.db2.gz YUOMBGNUWXCMLP-IBGZPJMESA-N 1 2 327.428 1.922 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246621171 536758155 /nfs/dbraw/zinc/75/81/55/536758155.db2.gz INEYGYQTVFNRIC-WBVHZDCISA-N 1 2 339.399 1.776 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246621171 536758159 /nfs/dbraw/zinc/75/81/59/536758159.db2.gz INEYGYQTVFNRIC-WBVHZDCISA-N 1 2 339.399 1.776 20 30 EDEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CC#N)c1ccccc1 ZINC000741147744 579399450 /nfs/dbraw/zinc/39/94/50/579399450.db2.gz LPTLFPPQHRZKQF-MRXNPFEDSA-N 1 2 329.400 1.961 20 30 EDEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N(CC#N)c1ccccc1 ZINC000741147744 579399451 /nfs/dbraw/zinc/39/94/51/579399451.db2.gz LPTLFPPQHRZKQF-MRXNPFEDSA-N 1 2 329.400 1.961 20 30 EDEDLO C=CCNC(=O)[C@H](C)OC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000729294757 578563226 /nfs/dbraw/zinc/56/32/26/578563226.db2.gz VUAILSZPESXXQU-WMLDXEAASA-N 1 2 346.427 1.418 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000734214351 578801341 /nfs/dbraw/zinc/80/13/41/578801341.db2.gz KKUHMVNJTLQQTJ-OAHLLOKOSA-N 1 2 331.416 1.219 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000734214351 578801343 /nfs/dbraw/zinc/80/13/43/578801343.db2.gz KKUHMVNJTLQQTJ-OAHLLOKOSA-N 1 2 331.416 1.219 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000739916461 579267749 /nfs/dbraw/zinc/26/77/49/579267749.db2.gz YEIJIUNSLYZEQA-DOTOQJQBSA-N 1 2 339.399 1.776 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000739916461 579267750 /nfs/dbraw/zinc/26/77/50/579267750.db2.gz YEIJIUNSLYZEQA-DOTOQJQBSA-N 1 2 339.399 1.776 20 30 EDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NCc1cccc(C#N)c1 ZINC000745086683 579537699 /nfs/dbraw/zinc/53/76/99/579537699.db2.gz GJPFPFPJWFLTAR-INIZCTEOSA-N 1 2 329.400 1.592 20 30 EDEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NCc1cccc(C#N)c1 ZINC000745086683 579537700 /nfs/dbraw/zinc/53/77/00/579537700.db2.gz GJPFPFPJWFLTAR-INIZCTEOSA-N 1 2 329.400 1.592 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](c2c(F)cccc2Cl)N(C)C)CC1 ZINC000746260083 579582828 /nfs/dbraw/zinc/58/28/28/579582828.db2.gz UYIKVCOSNBZYDV-MRXNPFEDSA-N 1 2 337.826 1.859 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCCSc3ccccc32)CC1 ZINC000748810663 579700762 /nfs/dbraw/zinc/70/07/62/579700762.db2.gz YNMQREGZGZBHGF-UHFFFAOYSA-N 1 2 329.469 1.766 20 30 EDEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000750747296 579779740 /nfs/dbraw/zinc/77/97/40/579779740.db2.gz QYMLEYBHFIQOBV-ZDUSSCGKSA-N 1 2 342.399 1.701 20 30 EDEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000750747296 579779741 /nfs/dbraw/zinc/77/97/41/579779741.db2.gz QYMLEYBHFIQOBV-ZDUSSCGKSA-N 1 2 342.399 1.701 20 30 EDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccccc1SCC#N ZINC000751430268 579806373 /nfs/dbraw/zinc/80/63/73/579806373.db2.gz HTWWLOZBAPYLEP-CQSZACIVSA-N 1 2 349.456 1.067 20 30 EDEDLO CCOc1ccc(O)c(C=[NH+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000751890246 579826411 /nfs/dbraw/zinc/82/64/11/579826411.db2.gz LEFXHGPDXFEWSY-KJXPIBEZSA-N 1 2 345.399 1.930 20 30 EDEDLO COc1ccc(O)c(C=[NH+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000751891358 579826477 /nfs/dbraw/zinc/82/64/77/579826477.db2.gz YGLYFAIZGMWEDE-YTVTYUGZSA-N 1 2 331.372 1.540 20 30 EDEDLO C=CCNC(=O)COC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000754953472 579916853 /nfs/dbraw/zinc/91/68/53/579916853.db2.gz QGIZFRHFQMZSFM-UHFFFAOYSA-N 1 2 340.383 1.856 20 30 EDEDLO Cc1cccn2c(C=NNc3ccc(S(N)(=O)=O)cc3)c[nH+]c12 ZINC000755456377 579927433 /nfs/dbraw/zinc/92/74/33/579927433.db2.gz VUGQMXKYMXGJRZ-UHFFFAOYSA-N 1 2 329.385 1.736 20 30 EDEDLO CC(C)c1[nH+]c(C=Nn2cnc3c(cnn3C)c2=O)c2ccccn21 ZINC000755631304 579931280 /nfs/dbraw/zinc/93/12/80/579931280.db2.gz LJBWQRFKIZZUPP-UHFFFAOYSA-N 1 2 335.371 1.783 20 30 EDEDLO CC(C)c1[nH+]c(C=NNc2nc3[nH][nH]cc-3c(=O)n2)c2ccccn21 ZINC000755703432 579933004 /nfs/dbraw/zinc/93/30/04/579933004.db2.gz JALIQBLKOJKSAM-UHFFFAOYSA-N 1 2 336.359 1.649 20 30 EDEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758202429 579976754 /nfs/dbraw/zinc/97/67/54/579976754.db2.gz HSFWUFUBSHSCDD-ZBFHGGJFSA-N 1 2 330.432 1.694 20 30 EDEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758202429 579976755 /nfs/dbraw/zinc/97/67/55/579976755.db2.gz HSFWUFUBSHSCDD-ZBFHGGJFSA-N 1 2 330.432 1.694 20 30 EDEDLO COc1cc2c(cc1CN=Nc1ccc(-n3cc[nH+]c3)nn1)OCO2 ZINC000761840063 580062466 /nfs/dbraw/zinc/06/24/66/580062466.db2.gz XEJXJKRUOBDVOI-UHFFFAOYSA-N 1 2 338.327 1.846 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 ZINC000761982352 580064853 /nfs/dbraw/zinc/06/48/53/580064853.db2.gz PIAZFGOHIDVXMJ-CVEARBPZSA-N 1 2 328.416 1.082 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1 ZINC000761982352 580064854 /nfs/dbraw/zinc/06/48/54/580064854.db2.gz PIAZFGOHIDVXMJ-CVEARBPZSA-N 1 2 328.416 1.082 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000771149274 580280992 /nfs/dbraw/zinc/28/09/92/580280992.db2.gz YWVOCDLAAQDHEV-QHCPKHFHSA-N 1 2 328.441 1.607 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000775996345 580405997 /nfs/dbraw/zinc/40/59/97/580405997.db2.gz FOXBVWQHPJGJKZ-IAGOWNOFSA-N 1 2 332.404 1.794 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCn2c(CO)nnc2C1 ZINC000779161639 580480508 /nfs/dbraw/zinc/48/05/08/580480508.db2.gz NXCAHGUCVYZGJV-UHFFFAOYSA-N 1 2 332.791 1.452 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCn2c(CO)nnc2C1 ZINC000779161639 580480509 /nfs/dbraw/zinc/48/05/09/580480509.db2.gz NXCAHGUCVYZGJV-UHFFFAOYSA-N 1 2 332.791 1.452 20 30 EDEDLO COc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 ZINC000779344994 580484125 /nfs/dbraw/zinc/48/41/25/580484125.db2.gz ZQVALATYVOHQLL-ZIAGYGMSSA-N 1 2 332.404 1.939 20 30 EDEDLO C[NH+](C)[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000780093915 580512589 /nfs/dbraw/zinc/51/25/89/580512589.db2.gz HXXJOGLHKNEGGW-FUHWJXTLSA-N 1 2 329.400 1.641 20 30 EDEDLO N#Cc1ccc([C@@H](O)C(=O)OCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000780207512 580515990 /nfs/dbraw/zinc/51/59/90/580515990.db2.gz YCNVQNLDIVIRQV-QGZVFWFLSA-N 1 2 334.335 1.916 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000780786605 580533645 /nfs/dbraw/zinc/53/36/45/580533645.db2.gz QSQCTDFRZCJJKK-DEOSSOPVSA-N 1 2 345.468 1.113 20 30 EDEDLO Cc1cccn2cc(CCNC(=O)[C@H](O)c3ccc(C#N)cc3)[nH+]c12 ZINC000780955235 580538703 /nfs/dbraw/zinc/53/87/03/580538703.db2.gz LSUCGVHSDJPVGQ-QGZVFWFLSA-N 1 2 334.379 1.907 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccc2cnccc2c1 ZINC000782127070 580566896 /nfs/dbraw/zinc/56/68/96/580566896.db2.gz BMVCFBIDQPREJK-UHFFFAOYSA-N 1 2 343.456 1.365 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@H](/N=C/c2cccc(O)c2O)C1=O ZINC000782878881 580587378 /nfs/dbraw/zinc/58/73/78/580587378.db2.gz BFJIEOMPQZEVPX-UZPSYVQNSA-N 1 2 328.372 1.441 20 30 EDEDLO Cn1c(=O)[nH]cc(C(=O)C=Cc2cc(-n3cc[nH+]c3)cs2)c1=O ZINC000783709328 580604507 /nfs/dbraw/zinc/60/45/07/580604507.db2.gz NWVIJKAUMYWBAJ-NSCUHMNNSA-N 1 2 328.353 1.629 20 30 EDEDLO C#CCOCCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000784549950 580623676 /nfs/dbraw/zinc/62/36/76/580623676.db2.gz LETFDDMXCVKTJU-UHFFFAOYSA-N 1 2 331.416 1.042 20 30 EDEDLO C#CCOCCNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000785161580 580636959 /nfs/dbraw/zinc/63/69/59/580636959.db2.gz UPTPHUSBFCQNBB-UHFFFAOYSA-N 1 2 339.351 1.578 20 30 EDEDLO C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000785186554 580637496 /nfs/dbraw/zinc/63/74/96/580637496.db2.gz QEESJLYUFFFSCL-GFCCVEGCSA-N 1 2 338.371 1.356 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)CC1 ZINC000786158177 580663158 /nfs/dbraw/zinc/66/31/58/580663158.db2.gz DHZJIZHUYNOKQG-HNNXBMFYSA-N 1 2 333.338 1.235 20 30 EDEDLO C[C@@H](OC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(=O)NC1(C#N)CCC1 ZINC000787785137 580705685 /nfs/dbraw/zinc/70/56/85/580705685.db2.gz ZYNTWMZKWYGZPN-UKRRQHHQSA-N 1 2 329.400 1.783 20 30 EDEDLO CCN(C)c1ccc(C=[NH+]NC(=S)NCCc2ccccn2)cn1 ZINC000790165547 580763822 /nfs/dbraw/zinc/76/38/22/580763822.db2.gz OLMNWZFZHBGBSN-UHFFFAOYSA-N 1 2 342.472 1.973 20 30 EDEDLO CC(=O)N(C)C1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793489562 580845523 /nfs/dbraw/zinc/84/55/23/580845523.db2.gz FOCIXEVPDAHBQE-UHFFFAOYSA-N 1 2 342.443 1.499 20 30 EDEDLO Cc1nn(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1[N+](=O)[O-] ZINC000793592998 580848575 /nfs/dbraw/zinc/84/85/75/580848575.db2.gz VAUUNNHYLWBART-AWEZNQCLSA-N 1 2 342.359 1.786 20 30 EDEDLO Cc1nn(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1[N+](=O)[O-] ZINC000793592998 580848576 /nfs/dbraw/zinc/84/85/76/580848576.db2.gz VAUUNNHYLWBART-AWEZNQCLSA-N 1 2 342.359 1.786 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000794110682 580874896 /nfs/dbraw/zinc/87/48/96/580874896.db2.gz GQEMAUNPZBYBHY-INIZCTEOSA-N 1 2 328.416 1.888 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(N(C)C(=O)NCC)c1 ZINC000794110682 580874897 /nfs/dbraw/zinc/87/48/97/580874897.db2.gz GQEMAUNPZBYBHY-INIZCTEOSA-N 1 2 328.416 1.888 20 30 EDEDLO CCCNC(=O)[C@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794623652 580900017 /nfs/dbraw/zinc/90/00/17/580900017.db2.gz OIXRGAUXDJPKPH-LBPRGKRZSA-N 1 2 336.465 1.213 20 30 EDEDLO CCCNC(=O)[C@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794623652 580900018 /nfs/dbraw/zinc/90/00/18/580900018.db2.gz OIXRGAUXDJPKPH-LBPRGKRZSA-N 1 2 336.465 1.213 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000795819670 580938381 /nfs/dbraw/zinc/93/83/81/580938381.db2.gz OMKRTJLXTCWNNB-WMLDXEAASA-N 1 2 327.384 1.504 20 30 EDEDLO C[C@H](C(=O)NCc1ccc[nH+]c1N1CCCCC1)n1cnc(C#N)n1 ZINC000798933534 581012041 /nfs/dbraw/zinc/01/20/41/581012041.db2.gz XDYYXBGATNNUPV-CYBMUJFWSA-N 1 2 339.403 1.412 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)c1ccc(F)cn1 ZINC000799305381 581024787 /nfs/dbraw/zinc/02/47/87/581024787.db2.gz SJVAZJYRLSLYPM-WBMJQRKESA-N 1 2 342.378 1.126 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)c1ccc(F)cn1 ZINC000799305381 581024788 /nfs/dbraw/zinc/02/47/88/581024788.db2.gz SJVAZJYRLSLYPM-WBMJQRKESA-N 1 2 342.378 1.126 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801509591 581078588 /nfs/dbraw/zinc/07/85/88/581078588.db2.gz SFFKFJIJCLEZBC-UHFFFAOYSA-N 1 2 336.367 1.154 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000801913876 581087811 /nfs/dbraw/zinc/08/78/11/581087811.db2.gz AWKGTLLNLXGEQQ-AWEZNQCLSA-N 1 2 335.379 1.277 20 30 EDEDLO C#CCn1ccc(CN(CC)c2cc(N[C@@H](CC)CO)[nH+]cn2)n1 ZINC000893564013 590962697 /nfs/dbraw/zinc/96/26/97/590962697.db2.gz MFSLATICDBKJNV-AWEZNQCLSA-N 1 2 328.420 1.516 20 30 EDEDLO C#CCn1ccc(CN(CC)c2cc(N[C@@H](CC)CO)nc[nH+]2)n1 ZINC000893564013 590962699 /nfs/dbraw/zinc/96/26/99/590962699.db2.gz MFSLATICDBKJNV-AWEZNQCLSA-N 1 2 328.420 1.516 20 30 EDEDLO C#CCOc1ccc(C(=O)O[C@H]2C[N@H+](C)[C@](C)(C(=O)OC)C2)cc1 ZINC000893578559 590981278 /nfs/dbraw/zinc/98/12/78/590981278.db2.gz FYXLJWYFLVTAAT-QAPCUYQASA-N 1 2 331.368 1.491 20 30 EDEDLO C#CCOc1ccc(C(=O)O[C@H]2C[N@@H+](C)[C@](C)(C(=O)OC)C2)cc1 ZINC000893578559 590981280 /nfs/dbraw/zinc/98/12/80/590981280.db2.gz FYXLJWYFLVTAAT-QAPCUYQASA-N 1 2 331.368 1.491 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H](CC(F)F)C[NH+]1CCN(CC#N)CC1 ZINC000893992427 591157072 /nfs/dbraw/zinc/15/70/72/591157072.db2.gz JFRGVZRMUHINDL-GFCCVEGCSA-N 1 2 332.395 1.676 20 30 EDEDLO C[C@@]1(C#N)CN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000896479072 591478634 /nfs/dbraw/zinc/47/86/34/591478634.db2.gz JZZIGPBKQZJTGS-SJLPKXTDSA-N 1 2 339.399 1.948 20 30 EDEDLO N#Cc1cc(N2CC[NH+](CCc3cnccn3)CC2)c([N+](=O)[O-])s1 ZINC000894996250 591517601 /nfs/dbraw/zinc/51/76/01/591517601.db2.gz WNKFIMPPAOYITJ-UHFFFAOYSA-N 1 2 344.400 1.683 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)CC#N)CC2)c(-c2cccs2)n1 ZINC000895065307 591559785 /nfs/dbraw/zinc/55/97/85/591559785.db2.gz AYQVUJHXUUNVNX-UHFFFAOYSA-N 1 2 329.429 1.706 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898887904 591580081 /nfs/dbraw/zinc/58/00/81/591580081.db2.gz FXSQJIOTMWFQAC-CQSZACIVSA-N 1 2 331.372 1.457 20 30 EDEDLO N#Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000896699033 591585638 /nfs/dbraw/zinc/58/56/38/591585638.db2.gz YISLVEIMMPIBCA-CQSZACIVSA-N 1 2 338.411 1.976 20 30 EDEDLO COC(=O)c1cc(C2C[NH+](Cc3cc(C#N)cnc3Cl)C2)[nH]n1 ZINC000898005105 591743728 /nfs/dbraw/zinc/74/37/28/591743728.db2.gz QXXCXPRSGZFGAS-UHFFFAOYSA-N 1 2 331.763 1.716 20 30 EDEDLO CN1CCN(C(=O)NCc2nc(C#N)cs2)Cc2ccc[nH+]c21 ZINC000897265358 591794241 /nfs/dbraw/zinc/79/42/41/591794241.db2.gz DCHXYEBGLSONGP-UHFFFAOYSA-N 1 2 328.401 1.571 20 30 EDEDLO C#CC[NH+]1CCN(CN2CCN(Cc3cccc(OC)c3)C2=O)CC1 ZINC000902041136 591901624 /nfs/dbraw/zinc/90/16/24/591901624.db2.gz KNSATCXIDFXQLD-UHFFFAOYSA-N 1 2 342.443 1.141 20 30 EDEDLO NC(=NOCc1cnsn1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902227530 591949855 /nfs/dbraw/zinc/94/98/55/591949855.db2.gz YZLSGDJITXWSLD-UHFFFAOYSA-N 1 2 333.417 1.207 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cccc(C#CCO)c2)no1 ZINC000900498133 592033432 /nfs/dbraw/zinc/03/34/32/592033432.db2.gz HCOHRWHLRJXWKU-UHFFFAOYSA-N 1 2 342.399 1.140 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000908072513 592306459 /nfs/dbraw/zinc/30/64/59/592306459.db2.gz JXXNUBRHGBZBCF-MSOLQXFVSA-N 1 2 327.428 1.649 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000908072513 592306464 /nfs/dbraw/zinc/30/64/64/592306464.db2.gz JXXNUBRHGBZBCF-MSOLQXFVSA-N 1 2 327.428 1.649 20 30 EDEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C#N)cn2)c[nH+]1 ZINC000906845786 592367883 /nfs/dbraw/zinc/36/78/83/592367883.db2.gz SCSGSPJIJDLHBD-UHFFFAOYSA-N 1 2 345.428 1.673 20 30 EDEDLO C#CCCCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C ZINC000908532427 592526907 /nfs/dbraw/zinc/52/69/07/592526907.db2.gz VLCFLFJQYICKRG-UHFFFAOYSA-N 1 2 325.420 1.196 20 30 EDEDLO CNc1[nH+]c(C)ccc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000907381889 592633878 /nfs/dbraw/zinc/63/38/78/592633878.db2.gz BJDVEXMGFBRZMZ-UHFFFAOYSA-N 1 2 336.399 1.661 20 30 EDEDLO Cc1cc(C)nc(C2C[NH+](C[C@@H](O)COc3ccccc3C#N)C2)n1 ZINC000905986857 592705247 /nfs/dbraw/zinc/70/52/47/592705247.db2.gz LHXHILNZSLDVQH-QGZVFWFLSA-N 1 2 338.411 1.804 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888428510 593057854 /nfs/dbraw/zinc/05/78/54/593057854.db2.gz ZAYUTXFQEYMYQX-VIFPVBQESA-N 1 2 343.840 1.900 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888428510 593057855 /nfs/dbraw/zinc/05/78/55/593057855.db2.gz ZAYUTXFQEYMYQX-VIFPVBQESA-N 1 2 343.840 1.900 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000840738805 593061892 /nfs/dbraw/zinc/06/18/92/593061892.db2.gz HCDBMSYTWRLTCS-AWEZNQCLSA-N 1 2 336.436 1.228 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000840738805 593061893 /nfs/dbraw/zinc/06/18/93/593061893.db2.gz HCDBMSYTWRLTCS-AWEZNQCLSA-N 1 2 336.436 1.228 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000838092826 593123150 /nfs/dbraw/zinc/12/31/50/593123150.db2.gz DQOZYUUPFHZHKI-CABCVRRESA-N 1 2 327.388 1.800 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000838678305 593205156 /nfs/dbraw/zinc/20/51/56/593205156.db2.gz ZBMUCFDFGUNVBF-HDICACEKSA-N 1 2 343.427 1.361 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000838678305 593205158 /nfs/dbraw/zinc/20/51/58/593205158.db2.gz ZBMUCFDFGUNVBF-HDICACEKSA-N 1 2 343.427 1.361 20 30 EDEDLO COC(=O)C[C@@]1([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])CCCOC1 ZINC000838934681 593241570 /nfs/dbraw/zinc/24/15/70/593241570.db2.gz YFQBVTVIHWVPTN-INIZCTEOSA-N 1 2 333.344 1.668 20 30 EDEDLO CCOCC[NH+]1CC(OC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000802770901 593277378 /nfs/dbraw/zinc/27/73/78/593277378.db2.gz BJJGQDOREHDYAH-UHFFFAOYSA-N 1 2 332.400 1.980 20 30 EDEDLO C=CCN1CCN(CN(C)Cc2[nH+]ccn2CC(F)(F)F)C1=O ZINC000840005869 593341272 /nfs/dbraw/zinc/34/12/72/593341272.db2.gz YNHGNMFDZFYCTK-UHFFFAOYSA-N 1 2 331.342 1.758 20 30 EDEDLO C=CCn1nnn(C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c1=S ZINC000840179882 593342767 /nfs/dbraw/zinc/34/27/67/593342767.db2.gz VFPYYTXDYAYPPS-INIZCTEOSA-N 1 2 344.444 1.082 20 30 EDEDLO C=CCn1nnn(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c1=S ZINC000840179882 593342768 /nfs/dbraw/zinc/34/27/68/593342768.db2.gz VFPYYTXDYAYPPS-INIZCTEOSA-N 1 2 344.444 1.082 20 30 EDEDLO C=CCN1CCN(CN2CC[NH+](Cc3cccc(F)c3)CC2)C1=O ZINC000840024366 593387719 /nfs/dbraw/zinc/38/77/19/593387719.db2.gz ANDGRCWMWVJPFS-UHFFFAOYSA-N 1 2 332.423 1.824 20 30 EDEDLO C#CCNC(=S)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCOCC1 ZINC000758181622 593395238 /nfs/dbraw/zinc/39/52/38/593395238.db2.gz RZRAHTBTTPRTIB-INIZCTEOSA-N 1 2 333.457 1.166 20 30 EDEDLO C=CCN1CCN(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)C1=O ZINC000840034094 593399333 /nfs/dbraw/zinc/39/93/33/593399333.db2.gz WTGZYZBWKJGQJC-UHFFFAOYSA-N 1 2 342.399 1.096 20 30 EDEDLO C=CCN1CCN(C[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)C1=O ZINC000840034094 593399334 /nfs/dbraw/zinc/39/93/34/593399334.db2.gz WTGZYZBWKJGQJC-UHFFFAOYSA-N 1 2 342.399 1.096 20 30 EDEDLO CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810528285 593410102 /nfs/dbraw/zinc/41/01/02/593410102.db2.gz SIUVSLLSYMWLFA-SUMWQHHRSA-N 1 2 341.427 1.451 20 30 EDEDLO CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810528285 593410106 /nfs/dbraw/zinc/41/01/06/593410106.db2.gz SIUVSLLSYMWLFA-SUMWQHHRSA-N 1 2 341.427 1.451 20 30 EDEDLO C=CCN1CCN(C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O ZINC000840067582 593461187 /nfs/dbraw/zinc/46/11/87/593461187.db2.gz MPQROZIQTBTLLB-UHFFFAOYSA-N 1 2 325.416 1.820 20 30 EDEDLO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000813376778 593530416 /nfs/dbraw/zinc/53/04/16/593530416.db2.gz XJAUKUVEZZZBAM-IEBWSBKVSA-N 1 2 340.427 1.911 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[NH+](CCNC(=O)CC2(C#N)CC2)CC1 ZINC000815066919 593612864 /nfs/dbraw/zinc/61/28/64/593612864.db2.gz JOWWKQXKXOOHFP-UHFFFAOYSA-N 1 2 336.436 1.349 20 30 EDEDLO COc1ccc(C(=O)N(C)C)cc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819419301 593753947 /nfs/dbraw/zinc/75/39/47/593753947.db2.gz CCPQKGRBMNPYAX-AWEZNQCLSA-N 1 2 334.420 1.015 20 30 EDEDLO COc1ccc(C(=O)N(C)C)cc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819419301 593753948 /nfs/dbraw/zinc/75/39/48/593753948.db2.gz CCPQKGRBMNPYAX-AWEZNQCLSA-N 1 2 334.420 1.015 20 30 EDEDLO COc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1N1CCOC1=O ZINC000819450582 593755154 /nfs/dbraw/zinc/75/51/54/593755154.db2.gz CDODVSFYRHLGJP-CQSZACIVSA-N 1 2 348.403 1.270 20 30 EDEDLO COc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1N1CCOC1=O ZINC000819450582 593755155 /nfs/dbraw/zinc/75/51/55/593755155.db2.gz CDODVSFYRHLGJP-CQSZACIVSA-N 1 2 348.403 1.270 20 30 EDEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(F)cc1 ZINC000820464847 593820481 /nfs/dbraw/zinc/82/04/81/593820481.db2.gz WOTNZGDGEITZRA-VBQJREDUSA-N 1 2 333.407 1.908 20 30 EDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccc(F)cc1 ZINC000820464847 593820482 /nfs/dbraw/zinc/82/04/82/593820482.db2.gz WOTNZGDGEITZRA-VBQJREDUSA-N 1 2 333.407 1.908 20 30 EDEDLO C#C[C@H](CCC)NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000820629413 593849077 /nfs/dbraw/zinc/84/90/77/593849077.db2.gz CGBYSSHEOQQBJX-MRXNPFEDSA-N 1 2 339.443 1.963 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC(N2CCNC2=O)CC1 ZINC000820635855 593850081 /nfs/dbraw/zinc/85/00/81/593850081.db2.gz YPRIKSDYUWNTBT-UHFFFAOYSA-N 1 2 328.416 1.868 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000821836593 593951146 /nfs/dbraw/zinc/95/11/46/593951146.db2.gz ARNJBZFWJFXBOW-JTQLQIEISA-N 1 2 339.339 1.094 20 30 EDEDLO C#C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)C1CCOCC1 ZINC000823158619 594162205 /nfs/dbraw/zinc/16/22/05/594162205.db2.gz JAXGWASMWCIMFA-LSDHHAIUSA-N 1 2 348.447 1.207 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000825964706 594292937 /nfs/dbraw/zinc/29/29/37/594292937.db2.gz OXXWGKAAPXAFSX-UHFFFAOYSA-N 1 2 331.445 1.834 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000830117854 594339596 /nfs/dbraw/zinc/33/95/96/594339596.db2.gz OIQXXPDZBYGZOD-CJNGLKHVSA-N 1 2 334.441 1.306 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000830117854 594339598 /nfs/dbraw/zinc/33/95/98/594339598.db2.gz OIQXXPDZBYGZOD-CJNGLKHVSA-N 1 2 334.441 1.306 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)o1 ZINC000826384898 594453906 /nfs/dbraw/zinc/45/39/06/594453906.db2.gz OLTNTSSXOIPMQX-UHFFFAOYSA-N 1 2 336.359 1.049 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cc(C#N)ccc3F)CC2)S1 ZINC000828747433 594494023 /nfs/dbraw/zinc/49/40/23/594494023.db2.gz ZRRVVSXYLAYYOU-NSHDSACASA-N 1 2 332.404 1.946 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000829516103 594630469 /nfs/dbraw/zinc/63/04/69/594630469.db2.gz PJBQPBWRHBUIFV-VFNWGFHPSA-N 1 2 325.865 1.901 20 30 EDEDLO N#Cc1cc(F)ccc1N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000827412018 594669365 /nfs/dbraw/zinc/66/93/65/594669365.db2.gz OJXHDRVZVZGTMK-UHFFFAOYSA-N 1 2 327.363 1.702 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000831687652 594692787 /nfs/dbraw/zinc/69/27/87/594692787.db2.gz UZBWTQNRIBAMPQ-RBSFLKMASA-N 1 2 335.448 1.943 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000831691614 594693073 /nfs/dbraw/zinc/69/30/73/594693073.db2.gz SBPDZNFLNNXTER-SHARSMKWSA-N 1 2 335.448 1.849 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000831691659 594693081 /nfs/dbraw/zinc/69/30/81/594693081.db2.gz SYJCUTNGYTZZRO-OAHLLOKOSA-N 1 2 343.427 1.779 20 30 EDEDLO OC[C@H]1CCCN1N=Cc1ccc(C=[NH+]N2CCC[C@@H]2CO)cc1 ZINC000841659945 594931805 /nfs/dbraw/zinc/93/18/05/594931805.db2.gz AMVYKPJZJNOPCS-QZTJIDSGSA-N 1 2 330.432 1.268 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)Cc2cn3c([nH+]2)CCCC3)n1 ZINC000846041717 595128678 /nfs/dbraw/zinc/12/86/78/595128678.db2.gz ASUBGGGMXMIEMT-UHFFFAOYSA-N 1 2 325.416 1.640 20 30 EDEDLO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Cl)cc(Br)c1O ZINC000834480366 595136867 /nfs/dbraw/zinc/13/68/67/595136867.db2.gz PDTYPUWFNFPBAQ-LHLIQPBNSA-N 1 2 344.596 1.649 20 30 EDEDLO CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)=N2)cc1 ZINC000834489727 595141168 /nfs/dbraw/zinc/14/11/68/595141168.db2.gz OTCMHQTZHDLRSG-HIFRSBDPSA-N 1 2 339.399 1.543 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000834677272 595188562 /nfs/dbraw/zinc/18/85/62/595188562.db2.gz HIJAYKSXFPXSSR-HNNXBMFYSA-N 1 2 343.427 1.585 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC000101694470 595208316 /nfs/dbraw/zinc/20/83/16/595208316.db2.gz MDJZMWMYBHWYLX-UHFFFAOYSA-N 1 2 345.487 1.629 20 30 EDEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000846333412 595209255 /nfs/dbraw/zinc/20/92/55/595209255.db2.gz MHXHMGYCPHMCQB-MRXNPFEDSA-N 1 2 331.416 1.161 20 30 EDEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000846335521 595209780 /nfs/dbraw/zinc/20/97/80/595209780.db2.gz KSWLHYQMZIGBLS-QGZVFWFLSA-N 1 2 343.427 1.305 20 30 EDEDLO CCc1ccc(N[NH+]=Cc2c(=O)n(C)c(=O)n(C)c2N(C)C)cc1 ZINC000835011983 595245866 /nfs/dbraw/zinc/24/58/66/595245866.db2.gz VCOMBWMLGGNRJJ-UHFFFAOYSA-N 1 2 329.404 1.158 20 30 EDEDLO NC(C[NH+]1CCSCC1)=NOCC(=O)NCC1CCCCC1 ZINC000121482781 595265476 /nfs/dbraw/zinc/26/54/76/595265476.db2.gz BOPNNQDESNYOOV-UHFFFAOYSA-N 1 2 328.482 1.021 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCO[C@H]3C)n2CC(C)C)CC1 ZINC000843031245 595269684 /nfs/dbraw/zinc/26/96/84/595269684.db2.gz OTRHEQNXWZZQLW-HOTGVXAUSA-N 1 2 331.464 1.582 20 30 EDEDLO C=C[C@H](C)ONC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000846555494 595273602 /nfs/dbraw/zinc/27/36/02/595273602.db2.gz RXVWHLKOFOGPGR-WOSRLPQWSA-N 1 2 334.420 1.732 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC1(Br)CC1 ZINC000846815621 595320037 /nfs/dbraw/zinc/32/00/37/595320037.db2.gz PVHMUSNEOJRPGA-LLVKDONJSA-N 1 2 336.237 1.786 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1(Br)CC1 ZINC000846815621 595320038 /nfs/dbraw/zinc/32/00/38/595320038.db2.gz PVHMUSNEOJRPGA-LLVKDONJSA-N 1 2 336.237 1.786 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nnc3n2c2ccc(C)cc2c(=O)n3C)C1 ZINC000847030379 595353547 /nfs/dbraw/zinc/35/35/47/595353547.db2.gz MQGOOACRQXVNGH-CQSZACIVSA-N 1 2 335.411 1.735 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](Cc2nnc3n2c2ccc(C)cc2c(=O)n3C)C1 ZINC000847030379 595353548 /nfs/dbraw/zinc/35/35/48/595353548.db2.gz MQGOOACRQXVNGH-CQSZACIVSA-N 1 2 335.411 1.735 20 30 EDEDLO Nc1nc(Cl)c(C=NNCCCn2cc[nH+]c2)c(N2CCCC2)n1 ZINC000848419059 595376207 /nfs/dbraw/zinc/37/62/07/595376207.db2.gz QHRNEXKGQPAJMM-UHFFFAOYSA-N 1 2 348.842 1.523 20 30 EDEDLO COC(=O)CCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000844763859 595392376 /nfs/dbraw/zinc/39/23/76/595392376.db2.gz QKTXLQCTIZESMH-UHFFFAOYSA-N 1 2 335.404 1.109 20 30 EDEDLO C=CCCCCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000847313857 595394189 /nfs/dbraw/zinc/39/41/89/595394189.db2.gz FLRGXGNSDGSRLW-UHFFFAOYSA-N 1 2 345.509 1.541 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000847561362 595448069 /nfs/dbraw/zinc/44/80/69/595448069.db2.gz YRECDDHJEGREEF-AWEZNQCLSA-N 1 2 336.395 1.897 20 30 EDEDLO C[C@H](CC(=O)OCc1cc(=O)n2ncc(C#N)c2[nH]1)n1cc[nH+]c1 ZINC000845279581 595473764 /nfs/dbraw/zinc/47/37/64/595473764.db2.gz CPPWWXJFEOEUAQ-SNVBAGLBSA-N 1 2 326.316 1.198 20 30 EDEDLO COc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)ccc1C#N ZINC000854950084 595541968 /nfs/dbraw/zinc/54/19/68/595541968.db2.gz ZBLLZLURYSFZHI-UHFFFAOYSA-N 1 2 331.416 1.750 20 30 EDEDLO Cc1c[nH+]c2c(c1)N(C(=O)CCNC(=O)C1N=CC=CC1=O)CCN2 ZINC000857998217 595683297 /nfs/dbraw/zinc/68/32/97/595683297.db2.gz OTWSEWIRJHLKEP-ICFOKQHNSA-N 1 2 341.371 1.065 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1 ZINC000109023057 595708943 /nfs/dbraw/zinc/70/89/43/595708943.db2.gz ANQHPIOHOORSMP-CGZBRXJRSA-N 1 2 331.460 1.191 20 30 EDEDLO CCOC1CCC(=NNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000853263427 595722264 /nfs/dbraw/zinc/72/22/64/595722264.db2.gz LBFSAOKHIJNHLG-UHFFFAOYSA-N 1 2 328.482 1.118 20 30 EDEDLO O=S(=O)(NC1CC1)c1ccc(NN=Cc2c[nH+]c3n2CCC3)cc1 ZINC000853299196 595731007 /nfs/dbraw/zinc/73/10/07/595731007.db2.gz MCKWZOADCOTZLZ-UHFFFAOYSA-N 1 2 345.428 1.716 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2nc3ncccc3cc2C#N)CC1 ZINC000853368941 595744333 /nfs/dbraw/zinc/74/43/33/595744333.db2.gz DOPAUTZZESWWQV-HSZRJFAPSA-N 1 2 329.429 1.002 20 30 EDEDLO CC[C@]1(c2cnn(C)c2)NC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524039 595784566 /nfs/dbraw/zinc/78/45/66/595784566.db2.gz KHKFNYJHGLIWJJ-SUMWQHHRSA-N 1 2 344.419 1.160 20 30 EDEDLO CC[C@]1(c2cnn(C)c2)NC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524039 595784570 /nfs/dbraw/zinc/78/45/70/595784570.db2.gz KHKFNYJHGLIWJJ-SUMWQHHRSA-N 1 2 344.419 1.160 20 30 EDEDLO N#CC[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000853526214 595785484 /nfs/dbraw/zinc/78/54/84/595785484.db2.gz OPWWEMOFJYFLRX-LBPRGKRZSA-N 1 2 346.412 1.622 20 30 EDEDLO N#CC[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000853526214 595785487 /nfs/dbraw/zinc/78/54/87/595785487.db2.gz OPWWEMOFJYFLRX-LBPRGKRZSA-N 1 2 346.412 1.622 20 30 EDEDLO C#CCOCC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000851714105 595894284 /nfs/dbraw/zinc/89/42/84/595894284.db2.gz CVHDQNONNOJYPZ-INIZCTEOSA-N 1 2 337.441 1.334 20 30 EDEDLO C#CCOCC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000851714105 595894286 /nfs/dbraw/zinc/89/42/86/595894286.db2.gz CVHDQNONNOJYPZ-INIZCTEOSA-N 1 2 337.441 1.334 20 30 EDEDLO C#CC[C@H](COC)Nc1nc(N[C@H](CC#C)COC)c(F)c(C)[nH+]1 ZINC000858860859 595908407 /nfs/dbraw/zinc/90/84/07/595908407.db2.gz VGXVXLPDWUKGPT-ZIAGYGMSSA-N 1 2 334.395 1.825 20 30 EDEDLO COCC[N@H+](CCC#N)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851797942 595927918 /nfs/dbraw/zinc/92/79/18/595927918.db2.gz NHPMPMWDAATAKQ-CQSZACIVSA-N 1 2 327.425 1.484 20 30 EDEDLO COCC[N@@H+](CCC#N)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851797942 595927920 /nfs/dbraw/zinc/92/79/20/595927920.db2.gz NHPMPMWDAATAKQ-CQSZACIVSA-N 1 2 327.425 1.484 20 30 EDEDLO C#C[C@H](CC)NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000854074082 595968756 /nfs/dbraw/zinc/96/87/56/595968756.db2.gz KVACKAWJPZSKDP-ZIAGYGMSSA-N 1 2 338.452 1.249 20 30 EDEDLO C#C[C@H](CC)NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000854074082 595968757 /nfs/dbraw/zinc/96/87/57/595968757.db2.gz KVACKAWJPZSKDP-ZIAGYGMSSA-N 1 2 338.452 1.249 20 30 EDEDLO CCOC(=O)C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000859112361 595978600 /nfs/dbraw/zinc/97/86/00/595978600.db2.gz MRTAVENJMBCYPZ-UHFFFAOYSA-N 1 2 342.395 1.560 20 30 EDEDLO CCOC(=O)C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000859112361 595978602 /nfs/dbraw/zinc/97/86/02/595978602.db2.gz MRTAVENJMBCYPZ-UHFFFAOYSA-N 1 2 342.395 1.560 20 30 EDEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](C(F)F)C2CCCCC2)CC1 ZINC000856824762 596094521 /nfs/dbraw/zinc/09/45/21/596094521.db2.gz NYUNYZZAIHYJJC-MRXNPFEDSA-N 1 2 327.419 1.567 20 30 EDEDLO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328645 596127281 /nfs/dbraw/zinc/12/72/81/596127281.db2.gz JTCIXLOZWHTZRK-INIZCTEOSA-N 1 2 336.461 1.220 20 30 EDEDLO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328645 596127284 /nfs/dbraw/zinc/12/72/84/596127284.db2.gz JTCIXLOZWHTZRK-INIZCTEOSA-N 1 2 336.461 1.220 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)CC1 ZINC000852427398 596154031 /nfs/dbraw/zinc/15/40/31/596154031.db2.gz XMZWWVQCAGMUKA-LJQANCHMSA-N 1 2 341.455 1.974 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)CC1 ZINC000852427398 596154034 /nfs/dbraw/zinc/15/40/34/596154034.db2.gz XMZWWVQCAGMUKA-LJQANCHMSA-N 1 2 341.455 1.974 20 30 EDEDLO C#CCNC(=O)CC[NH+]1CC(O)(c2ccc(Br)cc2)C1 ZINC000852726672 596233866 /nfs/dbraw/zinc/23/38/66/596233866.db2.gz WXJKDSVGDUCVDD-UHFFFAOYSA-N 1 2 337.217 1.092 20 30 EDEDLO C#CCC[N@@H+](CCOC)CCS(=O)(=O)c1cccc(OC)c1 ZINC000852751420 596237877 /nfs/dbraw/zinc/23/78/77/596237877.db2.gz BRGSCMKMIDWCOY-UHFFFAOYSA-N 1 2 325.430 1.441 20 30 EDEDLO C#CCC[N@H+](CCOC)CCS(=O)(=O)c1cccc(OC)c1 ZINC000852751420 596237878 /nfs/dbraw/zinc/23/78/78/596237878.db2.gz BRGSCMKMIDWCOY-UHFFFAOYSA-N 1 2 325.430 1.441 20 30 EDEDLO C#CC[C@H](COC)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000862196157 596270806 /nfs/dbraw/zinc/27/08/06/596270806.db2.gz FELTWIYTFNNHNJ-OAHLLOKOSA-N 1 2 340.383 1.180 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccnc(F)c3C)CC2)c1C#N ZINC000862338658 596304974 /nfs/dbraw/zinc/30/49/74/596304974.db2.gz GVOMGZMVTYTHOP-UHFFFAOYSA-N 1 2 328.395 1.765 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000864945938 596424286 /nfs/dbraw/zinc/42/42/86/596424286.db2.gz QQXSNZIWNSCYTK-ARJAWSKDSA-N 1 2 329.400 1.429 20 30 EDEDLO N#Cc1cccnc1NCCNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000865003656 596440958 /nfs/dbraw/zinc/44/09/58/596440958.db2.gz NTHWGFJOMDYWGB-ZDUSSCGKSA-N 1 2 337.374 1.458 20 30 EDEDLO N#Cc1cccnc1NCCNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000865003656 596440959 /nfs/dbraw/zinc/44/09/59/596440959.db2.gz NTHWGFJOMDYWGB-ZDUSSCGKSA-N 1 2 337.374 1.458 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cccnc1Cl ZINC000865070096 596463199 /nfs/dbraw/zinc/46/31/99/596463199.db2.gz OKFMBHLDJPTYSE-UHFFFAOYSA-N 1 2 336.823 1.352 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccc(C=O)cc1 ZINC000865070144 596463250 /nfs/dbraw/zinc/46/32/50/596463250.db2.gz OTYMPLKGBCIQNI-VOTSOKGWSA-N 1 2 341.411 1.587 20 30 EDEDLO N#CCc1ccsc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000865156496 596494682 /nfs/dbraw/zinc/49/46/82/596494682.db2.gz KLAVPROGJFSUIZ-UHFFFAOYSA-N 1 2 345.428 1.595 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2cccnc2N=NC[C@H]2CC23CC3)CC1 ZINC000863094078 596502098 /nfs/dbraw/zinc/50/20/98/596502098.db2.gz LLQGJPGHDQARGY-CYBMUJFWSA-N 1 2 349.460 1.216 20 30 EDEDLO C#CC[C@H](COC)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000863391118 596569871 /nfs/dbraw/zinc/56/98/71/596569871.db2.gz PUCZVXRFVBBBOB-ZWNOBZJWSA-N 1 2 343.196 1.743 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1[nH]nc2cnc(Br)cc21 ZINC000869772379 596625350 /nfs/dbraw/zinc/62/53/50/596625350.db2.gz OTOOVSPAXAHOOV-NSHDSACASA-N 1 2 348.204 1.757 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1[nH]nc2cnc(Br)cc21 ZINC000869772379 596625353 /nfs/dbraw/zinc/62/53/53/596625353.db2.gz OTOOVSPAXAHOOV-NSHDSACASA-N 1 2 348.204 1.757 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)C1=O ZINC000868017193 596656260 /nfs/dbraw/zinc/65/62/60/596656260.db2.gz WUMFVPMRULIUHZ-QWHCGFSZSA-N 1 2 329.391 1.209 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)C1=O ZINC000868017193 596656262 /nfs/dbraw/zinc/65/62/62/596656262.db2.gz WUMFVPMRULIUHZ-QWHCGFSZSA-N 1 2 329.391 1.209 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccccc2OCc2ccncc2)CC1 ZINC000865795277 596686551 /nfs/dbraw/zinc/68/65/51/596686551.db2.gz NISXUTDCFDVQBW-UHFFFAOYSA-N 1 2 349.434 1.981 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000123763896 596686636 /nfs/dbraw/zinc/68/66/36/596686636.db2.gz DQQMIQPKYHQDCY-UHFFFAOYSA-N 1 2 344.839 1.950 20 30 EDEDLO Cn1ccc(C(N)=NOCc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000871770313 596691411 /nfs/dbraw/zinc/69/14/11/596691411.db2.gz AUVJFIYFRSAILT-UHFFFAOYSA-N 1 2 329.404 1.089 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000863926729 596718250 /nfs/dbraw/zinc/71/82/50/596718250.db2.gz DYMWGORIFWHSTF-WMLDXEAASA-N 1 2 328.391 1.146 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000870064049 596731062 /nfs/dbraw/zinc/73/10/62/596731062.db2.gz AXWHKPPNYJTJLH-HNNXBMFYSA-N 1 2 349.818 1.385 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000863970015 596738297 /nfs/dbraw/zinc/73/82/97/596738297.db2.gz MYFOFNZHTHPJPD-FUHWJXTLSA-N 1 2 345.443 1.231 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000863970015 596738299 /nfs/dbraw/zinc/73/82/99/596738299.db2.gz MYFOFNZHTHPJPD-FUHWJXTLSA-N 1 2 345.443 1.231 20 30 EDEDLO CCn1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1Br ZINC000875705289 596953358 /nfs/dbraw/zinc/95/33/58/596953358.db2.gz MGGLODAGHLJREL-LBPRGKRZSA-N 1 2 328.214 1.239 20 30 EDEDLO C#CCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)C1CC1 ZINC000875886268 597022962 /nfs/dbraw/zinc/02/29/62/597022962.db2.gz IMHVTSXIOVWWPM-QGZVFWFLSA-N 1 2 328.416 1.090 20 30 EDEDLO C#CCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)C1CC1 ZINC000875886268 597022965 /nfs/dbraw/zinc/02/29/65/597022965.db2.gz IMHVTSXIOVWWPM-QGZVFWFLSA-N 1 2 328.416 1.090 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000874347712 597027334 /nfs/dbraw/zinc/02/73/34/597027334.db2.gz MXCWAAVLNSEILR-HNNXBMFYSA-N 1 2 344.415 1.032 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000874347712 597027337 /nfs/dbraw/zinc/02/73/37/597027337.db2.gz MXCWAAVLNSEILR-HNNXBMFYSA-N 1 2 344.415 1.032 20 30 EDEDLO C[C@H](C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)n1cnc(C#N)n1 ZINC000874889513 597210709 /nfs/dbraw/zinc/21/07/09/597210709.db2.gz LNVWJQROOFSGPR-RISCZKNCSA-N 1 2 328.351 1.023 20 30 EDEDLO C=CCSCCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000875131463 597294972 /nfs/dbraw/zinc/29/49/72/597294972.db2.gz DIVRGWCEMGVNEF-OAHLLOKOSA-N 1 2 333.457 1.325 20 30 EDEDLO C=CCSCCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875131463 597294974 /nfs/dbraw/zinc/29/49/74/597294974.db2.gz DIVRGWCEMGVNEF-OAHLLOKOSA-N 1 2 333.457 1.325 20 30 EDEDLO CO[C@@H]1C[C@H]2CN(C(=O)NCCCCC#N)Cc3ccc[nH+]c3N2C1 ZINC000875235828 597345413 /nfs/dbraw/zinc/34/54/13/597345413.db2.gz QFKFOGGTJNSUML-JKSUJKDBSA-N 1 2 343.431 1.894 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(C#N)cc1F ZINC000875247182 597352129 /nfs/dbraw/zinc/35/21/29/597352129.db2.gz VKJXODZUNVNLAF-OAHLLOKOSA-N 1 2 334.395 1.607 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(C#N)cc1F ZINC000875247182 597352132 /nfs/dbraw/zinc/35/21/32/597352132.db2.gz VKJXODZUNVNLAF-OAHLLOKOSA-N 1 2 334.395 1.607 20 30 EDEDLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(C#N)c(F)cc1C ZINC000873902325 597441471 /nfs/dbraw/zinc/44/14/71/597441471.db2.gz BHTFLEORCMUBJH-UHFFFAOYSA-N 1 2 329.335 1.477 20 30 EDEDLO CO[C@H]1C[C@@H]2CN(C(=O)NCCCC#N)Cc3ccc[nH+]c3N2C1 ZINC000875482036 597446721 /nfs/dbraw/zinc/44/67/21/597446721.db2.gz WAGVTNMONHDABP-CABCVRRESA-N 1 2 329.404 1.504 20 30 EDEDLO C=C(Cl)C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)C(=O)OCC ZINC000877671924 597546644 /nfs/dbraw/zinc/54/66/44/597546644.db2.gz RVWWNAAHIPJIOG-LBPRGKRZSA-N 1 2 338.857 1.074 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2ccccc2Br)nn1 ZINC000881419576 597610776 /nfs/dbraw/zinc/61/07/76/597610776.db2.gz PSDZZPODXRFPSD-HNNXBMFYSA-N 1 2 349.232 1.887 20 30 EDEDLO C#C[C@H]1COCCN1CC(C[N@@H+]1CCOC[C@@H]1C#C)c1ccccc1 ZINC000878704965 597684922 /nfs/dbraw/zinc/68/49/22/597684922.db2.gz LIKGOJRPSRYNQS-SFTDATJTSA-N 1 2 338.451 1.438 20 30 EDEDLO C#C[C@H]1COCCN1CC(C[N@H+]1CCOC[C@@H]1C#C)c1ccccc1 ZINC000878704965 597684925 /nfs/dbraw/zinc/68/49/25/597684925.db2.gz LIKGOJRPSRYNQS-SFTDATJTSA-N 1 2 338.451 1.438 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879969754 597790102 /nfs/dbraw/zinc/79/01/02/597790102.db2.gz PTTFVYHHMKXCRZ-UHFFFAOYSA-N 1 2 337.807 1.217 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC[C@H](C(F)(F)F)O1 ZINC000880055442 597824269 /nfs/dbraw/zinc/82/42/69/597824269.db2.gz YKFCHKWJYRQJFS-MPKXVKKWSA-N 1 2 333.354 1.837 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC[C@H](C(F)(F)F)O1 ZINC000880055442 597824271 /nfs/dbraw/zinc/82/42/71/597824271.db2.gz YKFCHKWJYRQJFS-MPKXVKKWSA-N 1 2 333.354 1.837 20 30 EDEDLO COC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000880352442 597911453 /nfs/dbraw/zinc/91/14/53/597911453.db2.gz OBUNKFNDAQJVLI-ZDUSSCGKSA-N 1 2 341.411 1.782 20 30 EDEDLO COC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000880352442 597911454 /nfs/dbraw/zinc/91/14/54/597911454.db2.gz OBUNKFNDAQJVLI-ZDUSSCGKSA-N 1 2 341.411 1.782 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879486877 597933020 /nfs/dbraw/zinc/93/30/20/597933020.db2.gz BJTCSFIHTXPHPO-CQSZACIVSA-N 1 2 332.429 1.534 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879486877 597933021 /nfs/dbraw/zinc/93/30/21/597933021.db2.gz BJTCSFIHTXPHPO-CQSZACIVSA-N 1 2 332.429 1.534 20 30 EDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000128729452 598044997 /nfs/dbraw/zinc/04/49/97/598044997.db2.gz BAFYMVMEEBURDN-MRXNPFEDSA-N 1 2 338.415 1.683 20 30 EDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000128729452 598044998 /nfs/dbraw/zinc/04/49/98/598044998.db2.gz BAFYMVMEEBURDN-MRXNPFEDSA-N 1 2 338.415 1.683 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(=O)oc3c(C)c(O)ccc23)nn1 ZINC000881039335 598057142 /nfs/dbraw/zinc/05/71/42/598057142.db2.gz GBESVPBWTYIGQC-UHFFFAOYSA-N 1 2 338.367 1.560 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1csc(C(F)(F)F)c1 ZINC000884442419 598106097 /nfs/dbraw/zinc/10/60/97/598106097.db2.gz DXFCDUITHLENNO-VIFPVBQESA-N 1 2 336.335 1.830 20 30 EDEDLO N#Cc1cc(CS(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000914060704 695051884 /nfs/dbraw/zinc/05/18/84/695051884.db2.gz VYDFOGUGZOTABP-CYBMUJFWSA-N 1 2 336.442 1.983 20 30 EDEDLO C[C@H]1CO[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001031859179 700027171 /nfs/dbraw/zinc/02/71/71/700027171.db2.gz HNJLPHFREKQBEO-SJKOYZFVSA-N 1 2 331.391 1.670 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@]3(C)C2)C1 ZINC000993316427 695957523 /nfs/dbraw/zinc/95/75/23/695957523.db2.gz JCWAYTFGWBBREM-IFXJQAMLSA-N 1 2 342.443 1.615 20 30 EDEDLO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@H]1C ZINC000993330861 695984810 /nfs/dbraw/zinc/98/48/10/695984810.db2.gz FVCLBMYCURRQSX-TZMCWYRMSA-N 1 2 338.429 1.289 20 30 EDEDLO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@H]1C ZINC000993330861 695984811 /nfs/dbraw/zinc/98/48/11/695984811.db2.gz FVCLBMYCURRQSX-TZMCWYRMSA-N 1 2 338.429 1.289 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000993575123 696229526 /nfs/dbraw/zinc/22/95/26/696229526.db2.gz FMZNIHGMSITSQL-UHFFFAOYSA-N 1 2 344.459 1.691 20 30 EDEDLO Cc1nn[nH]c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993677633 696304579 /nfs/dbraw/zinc/30/45/79/696304579.db2.gz ZKYCJLJIKXZAIW-CZUORRHYSA-N 1 2 338.415 1.768 20 30 EDEDLO Cc1nn[nH]c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993677633 696304581 /nfs/dbraw/zinc/30/45/81/696304581.db2.gz ZKYCJLJIKXZAIW-CZUORRHYSA-N 1 2 338.415 1.768 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccn3nnnc3c2)[C@H]1C ZINC000993682213 696306520 /nfs/dbraw/zinc/30/65/20/696306520.db2.gz IQJGYCDUPMXXNT-YPMHNXCESA-N 1 2 334.811 1.460 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccn3nnnc3c2)[C@H]1C ZINC000993682213 696306522 /nfs/dbraw/zinc/30/65/22/696306522.db2.gz IQJGYCDUPMXXNT-YPMHNXCESA-N 1 2 334.811 1.460 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000994000099 696487456 /nfs/dbraw/zinc/48/74/56/696487456.db2.gz XWLLXMJIXIMXOE-SMDDNHRTSA-N 1 2 344.444 1.531 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000994000099 696487457 /nfs/dbraw/zinc/48/74/57/696487457.db2.gz XWLLXMJIXIMXOE-SMDDNHRTSA-N 1 2 344.444 1.531 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnon2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000994045556 696505157 /nfs/dbraw/zinc/50/51/57/696505157.db2.gz VLZXSQHAQSMBEI-ZWNOBZJWSA-N 1 2 331.401 1.786 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnon2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000994045556 696505158 /nfs/dbraw/zinc/50/51/58/696505158.db2.gz VLZXSQHAQSMBEI-ZWNOBZJWSA-N 1 2 331.401 1.786 20 30 EDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(OCC#N)cc1 ZINC000916489181 696671131 /nfs/dbraw/zinc/67/11/31/696671131.db2.gz ZWILOMJWHIJZTQ-INIZCTEOSA-N 1 2 346.431 1.499 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H]1C ZINC000994483966 696924788 /nfs/dbraw/zinc/92/47/88/696924788.db2.gz IIRKSERHRGUZKV-RYUDHWBXSA-N 1 2 326.828 1.059 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H]1C ZINC000994483966 696924792 /nfs/dbraw/zinc/92/47/92/696924792.db2.gz IIRKSERHRGUZKV-RYUDHWBXSA-N 1 2 326.828 1.059 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000994570726 697161445 /nfs/dbraw/zinc/16/14/45/697161445.db2.gz NDTJYAWVXWBRFI-CYBMUJFWSA-N 1 2 330.432 1.375 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)[nH]n1 ZINC001031562069 697252843 /nfs/dbraw/zinc/25/28/43/697252843.db2.gz GTCBHCREERMLFG-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2cncs2)C1 ZINC001031567592 697260679 /nfs/dbraw/zinc/26/06/79/697260679.db2.gz UHGQIABHIQUDLT-UHFFFAOYSA-N 1 2 342.424 1.885 20 30 EDEDLO C=CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060751576 697794126 /nfs/dbraw/zinc/79/41/26/697794126.db2.gz SKXWMOLFHHIZNK-KKUMJFAQSA-N 1 2 348.447 1.335 20 30 EDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2nnc3ccccc3c2O)[C@H](C)C1 ZINC000943289248 698049355 /nfs/dbraw/zinc/04/93/55/698049355.db2.gz OUOSRDGJWRXIAJ-HIFRSBDPSA-N 1 2 338.411 1.799 20 30 EDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2nnc3ccccc3c2O)[C@H](C)C1 ZINC000943289248 698049363 /nfs/dbraw/zinc/04/93/63/698049363.db2.gz OUOSRDGJWRXIAJ-HIFRSBDPSA-N 1 2 338.411 1.799 20 30 EDEDLO C[C@@H]1OCCO[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031743272 698324398 /nfs/dbraw/zinc/32/43/98/698324398.db2.gz LQIPXWSZWVJJSW-SJCJKPOMSA-N 1 2 347.390 1.049 20 30 EDEDLO Cc1cnoc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032097363 698664674 /nfs/dbraw/zinc/66/46/74/698664674.db2.gz WIMVMGJRAGRXIY-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3ccc(F)cc3)CC2)C1 ZINC000941476165 701551727 /nfs/dbraw/zinc/55/17/27/701551727.db2.gz POMSBDGMJZHUAN-UHFFFAOYSA-N 1 2 329.419 1.220 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000938984238 699020224 /nfs/dbraw/zinc/02/02/24/699020224.db2.gz QGHXRSNUCYESSQ-AWEZNQCLSA-N 1 2 330.432 1.676 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cc(F)c(C)cc3F)CC2)C1 ZINC000941500704 701561157 /nfs/dbraw/zinc/56/11/57/701561157.db2.gz ZMJXKWSPXZLVTE-UHFFFAOYSA-N 1 2 347.409 1.277 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000939066773 699135078 /nfs/dbraw/zinc/13/50/78/699135078.db2.gz ZTZOQLCXCFMZDE-INIZCTEOSA-N 1 2 344.459 1.768 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccoc3C3CC3)CC2)C1 ZINC000941534379 701573836 /nfs/dbraw/zinc/57/38/36/701573836.db2.gz XLEFHKAXGJRAIO-UHFFFAOYSA-N 1 2 327.428 1.622 20 30 EDEDLO C[C@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CO1 ZINC001031791063 699246111 /nfs/dbraw/zinc/24/61/11/699246111.db2.gz XPKGPZCPYYYVGK-BLLLJJGKSA-N 1 2 331.391 1.670 20 30 EDEDLO COc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)ccn1 ZINC001031806997 699415954 /nfs/dbraw/zinc/41/59/54/699415954.db2.gz XQSFFHVBPULBLB-UHFFFAOYSA-N 1 2 335.407 1.804 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3cccs3)CC2)C1 ZINC000941590355 701591873 /nfs/dbraw/zinc/59/18/73/701591873.db2.gz MKARZVSUGJNQNT-INIZCTEOSA-N 1 2 345.512 1.778 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3scnc3C(C)C)CC2)C1 ZINC000941597024 701598505 /nfs/dbraw/zinc/59/85/05/701598505.db2.gz YJDBASUZLSAOPF-UHFFFAOYSA-N 1 2 332.473 1.342 20 30 EDEDLO C=C1CCC(C(=O)N2CC[C@H](N(C)C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000939475487 699607790 /nfs/dbraw/zinc/60/77/90/699607790.db2.gz BPRWFTFYEBETML-HNNXBMFYSA-N 1 2 330.432 1.758 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000939548203 699673830 /nfs/dbraw/zinc/67/38/30/699673830.db2.gz MGALGKTZXKRQQB-AWEZNQCLSA-N 1 2 330.432 1.378 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CC[C@H](C)O3)CC2)C1 ZINC000941674809 701614653 /nfs/dbraw/zinc/61/46/53/701614653.db2.gz MXOBOKBIHWBUPR-WMZOPIPTSA-N 1 2 333.476 1.186 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3ccc(C)o3)CC2)C1 ZINC000941674775 701614682 /nfs/dbraw/zinc/61/46/82/701614682.db2.gz KZUCCRWCKQQCCE-UHFFFAOYSA-N 1 2 329.444 1.372 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)c4c3CCC4)CC2)C1 ZINC000941676887 701615694 /nfs/dbraw/zinc/61/56/94/701615694.db2.gz GSRGZKMAHNOLTD-UHFFFAOYSA-N 1 2 337.467 1.559 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)C1 ZINC000941664757 701618787 /nfs/dbraw/zinc/61/87/87/701618787.db2.gz DQWKLBCDMCFHIR-UHFFFAOYSA-N 1 2 341.455 1.144 20 30 EDEDLO Cc1cc(C)c(C(=O)NC[C@H]2CCCN2C(=O)[C@H](C)C#N)c(C)[nH+]1 ZINC000944249960 701627120 /nfs/dbraw/zinc/62/71/20/701627120.db2.gz TWMKGTYNWKPCIM-IUODEOHRSA-N 1 2 328.416 1.887 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)C1 ZINC000945513071 700396631 /nfs/dbraw/zinc/39/66/31/700396631.db2.gz LHFRKRFWFFDHNB-LSDHHAIUSA-N 1 2 330.432 1.593 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001031877436 700436526 /nfs/dbraw/zinc/43/65/26/700436526.db2.gz QGWVBNVQMFWLIJ-HNNXBMFYSA-N 1 2 340.427 1.023 20 30 EDEDLO CC1(C)C[N@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000940858648 700957525 /nfs/dbraw/zinc/95/75/25/700957525.db2.gz QBXQURGLWBSACG-MRXNPFEDSA-N 1 2 338.415 1.707 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000940858648 700957527 /nfs/dbraw/zinc/95/75/27/700957527.db2.gz QBXQURGLWBSACG-MRXNPFEDSA-N 1 2 338.415 1.707 20 30 EDEDLO CC1(C)C[N@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000940858648 700957529 /nfs/dbraw/zinc/95/75/29/700957529.db2.gz QBXQURGLWBSACG-MRXNPFEDSA-N 1 2 338.415 1.707 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000940858648 700957531 /nfs/dbraw/zinc/95/75/31/700957531.db2.gz QBXQURGLWBSACG-MRXNPFEDSA-N 1 2 338.415 1.707 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000941075235 701102500 /nfs/dbraw/zinc/10/25/00/701102500.db2.gz IWNYUMKARWEPLC-MRXNPFEDSA-N 1 2 348.491 1.372 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCN(C2C[NH+]([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000941339040 701477703 /nfs/dbraw/zinc/47/77/03/701477703.db2.gz MBXFZHXNEUOBGS-CABCVRRESA-N 1 2 344.434 1.875 20 30 EDEDLO Cc1ccc(F)cc1C[NH+]1CC(N2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000941349608 701483693 /nfs/dbraw/zinc/48/36/93/701483693.db2.gz ZRMXBSNJZBMGAJ-HNNXBMFYSA-N 1 2 344.434 1.622 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccn(C(C)(C)C)n3)CC2)C1 ZINC000941427369 701525945 /nfs/dbraw/zinc/52/59/45/701525945.db2.gz YDVBLUMNZLPWDI-UHFFFAOYSA-N 1 2 343.475 1.103 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)[C@H]3CCCCO3)CC2)C1 ZINC000941410691 701526893 /nfs/dbraw/zinc/52/68/93/701526893.db2.gz MRMYSLDKICOVND-GOSISDBHSA-N 1 2 347.503 1.433 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc4cc[nH]c4c3)CC2)C1 ZINC000941452394 701547666 /nfs/dbraw/zinc/54/76/66/701547666.db2.gz VUWZBLXNXXBLOZ-UHFFFAOYSA-N 1 2 337.427 1.028 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)nc1 ZINC001032135122 701893673 /nfs/dbraw/zinc/89/36/73/701893673.db2.gz KAZZFRCSLGNASK-UHFFFAOYSA-N 1 2 329.403 1.776 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001032203943 701953881 /nfs/dbraw/zinc/95/38/81/701953881.db2.gz CSRXEWXNVIDGIE-OAHLLOKOSA-N 1 2 341.883 1.826 20 30 EDEDLO Cc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)n1 ZINC000941963670 702251240 /nfs/dbraw/zinc/25/12/40/702251240.db2.gz MAAGWRUKRYPOIE-MLGOLLRUSA-N 1 2 338.415 1.625 20 30 EDEDLO Cc1ccnc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)n1 ZINC000941963670 702251243 /nfs/dbraw/zinc/25/12/43/702251243.db2.gz MAAGWRUKRYPOIE-MLGOLLRUSA-N 1 2 338.415 1.625 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnns3)C[C@@H]2C)nc1 ZINC000944193029 702487248 /nfs/dbraw/zinc/48/72/48/702487248.db2.gz QQUPNKDUSFJOLC-SWLSCSKDSA-N 1 2 341.440 1.555 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnns3)C[C@@H]2C)nc1 ZINC000944193029 702487253 /nfs/dbraw/zinc/48/72/53/702487253.db2.gz QQUPNKDUSFJOLC-SWLSCSKDSA-N 1 2 341.440 1.555 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@H]2C)cn1 ZINC000944214419 702544054 /nfs/dbraw/zinc/54/40/54/702544054.db2.gz LBOPCLNKRKRCME-MLGOLLRUSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)o3)C[C@H]2C)cn1 ZINC000944214419 702544060 /nfs/dbraw/zinc/54/40/60/702544060.db2.gz LBOPCLNKRKRCME-MLGOLLRUSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)C[C@H]2C)cn1 ZINC000944215019 702545601 /nfs/dbraw/zinc/54/56/01/702545601.db2.gz PSOMELDJWOMFDC-MLGOLLRUSA-N 1 2 325.372 1.086 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)C[C@H]2C)cn1 ZINC000944215019 702545606 /nfs/dbraw/zinc/54/56/06/702545606.db2.gz PSOMELDJWOMFDC-MLGOLLRUSA-N 1 2 325.372 1.086 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nc(C)no2)CC1 ZINC000996688423 702985734 /nfs/dbraw/zinc/98/57/34/702985734.db2.gz BXMPEUHNQJDZGY-BBRMVZONSA-N 1 2 345.447 1.117 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc2nsnc21 ZINC001032316937 702995556 /nfs/dbraw/zinc/99/55/56/702995556.db2.gz KPFLYRZXPQABML-WXHSDQCUSA-N 1 2 327.413 1.636 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc2nsnc21 ZINC001032316937 702995557 /nfs/dbraw/zinc/99/55/57/702995557.db2.gz KPFLYRZXPQABML-WXHSDQCUSA-N 1 2 327.413 1.636 20 30 EDEDLO CCOc1ccccc1OCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032318188 703001458 /nfs/dbraw/zinc/00/14/58/703001458.db2.gz JAQBKXIVODFDQQ-JYJNAYRXSA-N 1 2 343.427 1.909 20 30 EDEDLO CCOc1ccccc1OCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032318188 703001460 /nfs/dbraw/zinc/00/14/60/703001460.db2.gz JAQBKXIVODFDQQ-JYJNAYRXSA-N 1 2 343.427 1.909 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C(N)=O)c2)c1 ZINC001032337958 703152647 /nfs/dbraw/zinc/15/26/47/703152647.db2.gz KXWMJEMWNTWGKQ-HOTGVXAUSA-N 1 2 349.394 1.084 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C(N)=O)c2)c1 ZINC001032337958 703152650 /nfs/dbraw/zinc/15/26/50/703152650.db2.gz KXWMJEMWNTWGKQ-HOTGVXAUSA-N 1 2 349.394 1.084 20 30 EDEDLO C=CCSCCNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000355295310 703267112 /nfs/dbraw/zinc/26/71/12/703267112.db2.gz YGPOHCGELXHSJP-ZDUSSCGKSA-N 1 2 336.461 1.162 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2c(C)nnn2CC)C1 ZINC001032046978 703291903 /nfs/dbraw/zinc/29/19/03/703291903.db2.gz KXENBATVEZDDOA-RDJZCZTQSA-N 1 2 347.463 1.136 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C2)nc1 ZINC000997088860 703326896 /nfs/dbraw/zinc/32/68/96/703326896.db2.gz YTEPUCQUUUHPMR-UHFFFAOYSA-N 1 2 348.406 1.638 20 30 EDEDLO C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001060816358 703505456 /nfs/dbraw/zinc/50/54/56/703505456.db2.gz YBGJXYHLRBZLIJ-KKUMJFAQSA-N 1 2 345.447 1.304 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H](C)C2CC[NH+](Cc3cnon3)CC2)cn1 ZINC000997397124 703660418 /nfs/dbraw/zinc/66/04/18/703660418.db2.gz ABVSQYWXDXPBDC-CYBMUJFWSA-N 1 2 339.399 1.476 20 30 EDEDLO CCn1nnc(C)c1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004456868 704450278 /nfs/dbraw/zinc/45/02/78/704450278.db2.gz IBFKFQWBSYLDNV-OAHLLOKOSA-N 1 2 330.436 1.447 20 30 EDEDLO CCn1nnc(C)c1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004456868 704450279 /nfs/dbraw/zinc/45/02/79/704450279.db2.gz IBFKFQWBSYLDNV-OAHLLOKOSA-N 1 2 330.436 1.447 20 30 EDEDLO CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCCN(CC#N)CC1 ZINC000998050656 705245066 /nfs/dbraw/zinc/24/50/66/705245066.db2.gz IACMUDORELDMEE-HOTGVXAUSA-N 1 2 329.448 1.672 20 30 EDEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000998660144 706090846 /nfs/dbraw/zinc/09/08/46/706090846.db2.gz JBQXVYFUJCDWAM-UHFFFAOYSA-N 1 2 340.387 1.540 20 30 EDEDLO CO[C@@H](C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999131056 706565992 /nfs/dbraw/zinc/56/59/92/706565992.db2.gz ZDXBGPDTKPXWLY-GXTWGEPZSA-N 1 2 332.404 1.271 20 30 EDEDLO COc1cc[nH+]cc1CC(=O)NC1CCN(C(=O)C#CC2CC2)CC1 ZINC000946687081 707126310 /nfs/dbraw/zinc/12/63/10/707126310.db2.gz RJNRWLYWMUMHEH-UHFFFAOYSA-N 1 2 341.411 1.153 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nc(OC)cc(OC)n2)C1 ZINC001033193965 707430270 /nfs/dbraw/zinc/43/02/70/707430270.db2.gz KSOLBRSGUPSLGD-LLVKDONJSA-N 1 2 340.811 1.393 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nc(OC)cc(OC)n2)C1 ZINC001033193965 707430271 /nfs/dbraw/zinc/43/02/71/707430271.db2.gz KSOLBRSGUPSLGD-LLVKDONJSA-N 1 2 340.811 1.393 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001033204759 707623804 /nfs/dbraw/zinc/62/38/04/707623804.db2.gz CFLBTYOSMWKYFN-CQSZACIVSA-N 1 2 349.866 1.976 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001033204759 707623808 /nfs/dbraw/zinc/62/38/08/707623808.db2.gz CFLBTYOSMWKYFN-CQSZACIVSA-N 1 2 349.866 1.976 20 30 EDEDLO Cc1nc(NC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)ccc1C#N ZINC001060894841 707644453 /nfs/dbraw/zinc/64/44/53/707644453.db2.gz RHGQGWGRTVQKHJ-AWEZNQCLSA-N 1 2 338.415 1.498 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2oc(C)nc2C)nc1 ZINC001032738316 707764105 /nfs/dbraw/zinc/76/41/05/707764105.db2.gz WCLFCFJXRSLQGB-HOTGVXAUSA-N 1 2 336.395 1.767 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2oc(C)nc2C)nc1 ZINC001032738316 707764109 /nfs/dbraw/zinc/76/41/09/707764109.db2.gz WCLFCFJXRSLQGB-HOTGVXAUSA-N 1 2 336.395 1.767 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033432075 707819475 /nfs/dbraw/zinc/81/94/75/707819475.db2.gz LCXFBHRNYPNUQP-UXLLHSPISA-N 1 2 333.432 1.915 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033432075 707819476 /nfs/dbraw/zinc/81/94/76/707819476.db2.gz LCXFBHRNYPNUQP-UXLLHSPISA-N 1 2 333.432 1.915 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1conc1C ZINC001032753060 707822092 /nfs/dbraw/zinc/82/20/92/707822092.db2.gz CBYIYBVMDCAALM-OALUTQOASA-N 1 2 335.407 1.992 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1conc1C ZINC001032753060 707822096 /nfs/dbraw/zinc/82/20/96/707822096.db2.gz CBYIYBVMDCAALM-OALUTQOASA-N 1 2 335.407 1.992 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cncc(F)c3)C2)nn1 ZINC001033486808 707955613 /nfs/dbraw/zinc/95/56/13/707955613.db2.gz OWCFCZNQVCRLHV-HNNXBMFYSA-N 1 2 344.394 1.345 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cncc(F)c3)C2)nn1 ZINC001033486808 707955615 /nfs/dbraw/zinc/95/56/15/707955615.db2.gz OWCFCZNQVCRLHV-HNNXBMFYSA-N 1 2 344.394 1.345 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001033501080 707967635 /nfs/dbraw/zinc/96/76/35/707967635.db2.gz AVMMJXYJUJCITR-CYBMUJFWSA-N 1 2 346.822 1.561 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC001033501080 707967639 /nfs/dbraw/zinc/96/76/39/707967639.db2.gz AVMMJXYJUJCITR-CYBMUJFWSA-N 1 2 346.822 1.561 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001033495458 707990445 /nfs/dbraw/zinc/99/04/45/707990445.db2.gz RRZDHMMLUMLZET-VXGBXAGGSA-N 1 2 344.253 1.096 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001033495458 707990448 /nfs/dbraw/zinc/99/04/48/707990448.db2.gz RRZDHMMLUMLZET-VXGBXAGGSA-N 1 2 344.253 1.096 20 30 EDEDLO N#Cc1cnc(NC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c(Cl)c1 ZINC001060998524 708133393 /nfs/dbraw/zinc/13/33/93/708133393.db2.gz XNMRUSUSFYPBOT-LLVKDONJSA-N 1 2 344.806 1.833 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2CC[NH+](Cc3cnns3)CC2)c1 ZINC001001812275 708336950 /nfs/dbraw/zinc/33/69/50/708336950.db2.gz GNHHFPJMFSOAEH-UHFFFAOYSA-N 1 2 341.440 1.556 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnns2)CC1 ZINC001001852686 708355558 /nfs/dbraw/zinc/35/55/58/708355558.db2.gz VCXZLYPBUUTAFM-CABCVRRESA-N 1 2 336.461 1.457 20 30 EDEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](CNc2ncccc2C#N)C1 ZINC001061034803 708413539 /nfs/dbraw/zinc/41/35/39/708413539.db2.gz GLIATJMCPWZMCH-CQSZACIVSA-N 1 2 338.415 1.580 20 30 EDEDLO C=CCCC(=O)N1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001061075971 708844140 /nfs/dbraw/zinc/84/41/40/708844140.db2.gz SXRWCYAIDYTHQN-UHFFFAOYSA-N 1 2 344.459 1.770 20 30 EDEDLO C=CCn1cc(C(=O)N(CC)[C@H]2CC[N@H+](Cc3nocc3C)C2)nn1 ZINC001033978680 709185484 /nfs/dbraw/zinc/18/54/84/709185484.db2.gz BOVMIAOIYNUTTE-AWEZNQCLSA-N 1 2 344.419 1.497 20 30 EDEDLO C=CCn1cc(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3nocc3C)C2)nn1 ZINC001033978680 709185486 /nfs/dbraw/zinc/18/54/86/709185486.db2.gz BOVMIAOIYNUTTE-AWEZNQCLSA-N 1 2 344.419 1.497 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(CCOC)c2)C1 ZINC001034035162 709265402 /nfs/dbraw/zinc/26/54/02/709265402.db2.gz JMAJGCOHQBCXCZ-HNNXBMFYSA-N 1 2 340.855 1.818 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(CCOC)c2)C1 ZINC001034035162 709265404 /nfs/dbraw/zinc/26/54/04/709265404.db2.gz JMAJGCOHQBCXCZ-HNNXBMFYSA-N 1 2 340.855 1.818 20 30 EDEDLO N#Cc1nccnc1N[C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001061136752 709347277 /nfs/dbraw/zinc/34/72/77/709347277.db2.gz OHPDKCKPFALLJS-RYUDHWBXSA-N 1 2 325.376 1.153 20 30 EDEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001061146593 709390306 /nfs/dbraw/zinc/39/03/06/709390306.db2.gz IJNMLNBBAOHAQZ-CABCVRRESA-N 1 2 344.459 1.861 20 30 EDEDLO COc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)on1 ZINC001034164799 709438169 /nfs/dbraw/zinc/43/81/69/709438169.db2.gz SMMRLFIOWPWFET-CYBMUJFWSA-N 1 2 343.387 1.667 20 30 EDEDLO COc1cc(C[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)on1 ZINC001034164799 709438171 /nfs/dbraw/zinc/43/81/71/709438171.db2.gz SMMRLFIOWPWFET-CYBMUJFWSA-N 1 2 343.387 1.667 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)Cc3nnc[nH]3)C2)s1 ZINC001034484006 710128365 /nfs/dbraw/zinc/12/83/65/710128365.db2.gz PSGSNPJLNHCRIZ-LBPRGKRZSA-N 1 2 344.444 1.451 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)Cc3nnc[nH]3)C2)s1 ZINC001034484006 710128370 /nfs/dbraw/zinc/12/83/70/710128370.db2.gz PSGSNPJLNHCRIZ-LBPRGKRZSA-N 1 2 344.444 1.451 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001034487800 710135936 /nfs/dbraw/zinc/13/59/36/710135936.db2.gz QSCKKYUWRPMHIA-CHWSQXEVSA-N 1 2 337.855 1.633 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001034487800 710135940 /nfs/dbraw/zinc/13/59/40/710135940.db2.gz QSCKKYUWRPMHIA-CHWSQXEVSA-N 1 2 337.855 1.633 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2C)CC1 ZINC001003437336 710346167 /nfs/dbraw/zinc/34/61/67/710346167.db2.gz RAQIFEWGSBXCSG-LBPRGKRZSA-N 1 2 344.253 1.096 20 30 EDEDLO CN(c1ncccc1C#N)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001061281429 710423210 /nfs/dbraw/zinc/42/32/10/710423210.db2.gz YLCKNWTYNBZPCI-INIZCTEOSA-N 1 2 338.415 1.736 20 30 EDEDLO CN(c1ncccc1C#N)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001061281429 710423211 /nfs/dbraw/zinc/42/32/11/710423211.db2.gz YLCKNWTYNBZPCI-INIZCTEOSA-N 1 2 338.415 1.736 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001003746465 710528742 /nfs/dbraw/zinc/52/87/42/710528742.db2.gz TYBYQNWCGLBMGS-BSXFFOKHSA-N 1 2 330.432 1.734 20 30 EDEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001061798842 710980024 /nfs/dbraw/zinc/98/00/24/710980024.db2.gz HDFZZXBTOUEAFC-HOCLYGCPSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001061798842 710980025 /nfs/dbraw/zinc/98/00/25/710980025.db2.gz HDFZZXBTOUEAFC-HOCLYGCPSA-N 1 2 348.447 1.288 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3nc(C)no3)CC2)nc1 ZINC001003997648 711233819 /nfs/dbraw/zinc/23/38/19/711233819.db2.gz HCUWXAFAEIHLBT-GFCCVEGCSA-N 1 2 339.399 1.710 20 30 EDEDLO CO[C@H](C)c1noc(C[NH2+]C[C@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC001034935231 711362229 /nfs/dbraw/zinc/36/22/29/711362229.db2.gz JORTWZYXYBJNPN-TZMCWYRMSA-N 1 2 332.404 1.271 20 30 EDEDLO COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001033023890 711394579 /nfs/dbraw/zinc/39/45/79/711394579.db2.gz ROJRCDVDBDZCAX-ZDUSSCGKSA-N 1 2 329.360 1.229 20 30 EDEDLO COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001033023890 711394581 /nfs/dbraw/zinc/39/45/81/711394581.db2.gz ROJRCDVDBDZCAX-ZDUSSCGKSA-N 1 2 329.360 1.229 20 30 EDEDLO C=C1CCC(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC001004114835 711478647 /nfs/dbraw/zinc/47/86/47/711478647.db2.gz XJWVYJCQYRDJSN-HZPDHXFCSA-N 1 2 342.443 1.834 20 30 EDEDLO C=C1CCC(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC001004114835 711478648 /nfs/dbraw/zinc/47/86/48/711478648.db2.gz XJWVYJCQYRDJSN-HZPDHXFCSA-N 1 2 342.443 1.834 20 30 EDEDLO CC(=O)N1CCC[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004474891 711851713 /nfs/dbraw/zinc/85/17/13/711851713.db2.gz FTNGEWXTWRDHJD-ROUUACIJSA-N 1 2 346.475 1.471 20 30 EDEDLO CC(=O)N1CCC[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004474891 711851715 /nfs/dbraw/zinc/85/17/15/711851715.db2.gz FTNGEWXTWRDHJD-ROUUACIJSA-N 1 2 346.475 1.471 20 30 EDEDLO COc1ccc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004478953 711859716 /nfs/dbraw/zinc/85/97/16/711859716.db2.gz ZENOZXYCGKAVME-INIZCTEOSA-N 1 2 328.416 1.930 20 30 EDEDLO COc1ccc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004478953 711859718 /nfs/dbraw/zinc/85/97/18/711859718.db2.gz ZENOZXYCGKAVME-INIZCTEOSA-N 1 2 328.416 1.930 20 30 EDEDLO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)[nH]n2)C1 ZINC001033125840 711866990 /nfs/dbraw/zinc/86/69/90/711866990.db2.gz DAVXIEJALUQLRV-SNVBAGLBSA-N 1 2 327.226 1.895 20 30 EDEDLO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)[nH]n2)C1 ZINC001033125840 711866992 /nfs/dbraw/zinc/86/69/92/711866992.db2.gz DAVXIEJALUQLRV-SNVBAGLBSA-N 1 2 327.226 1.895 20 30 EDEDLO Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004492647 711891758 /nfs/dbraw/zinc/89/17/58/711891758.db2.gz ILAFDYHDVIBZAX-ZACQAIPSSA-N 1 2 341.459 1.750 20 30 EDEDLO Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004492647 711891760 /nfs/dbraw/zinc/89/17/60/711891760.db2.gz ILAFDYHDVIBZAX-ZACQAIPSSA-N 1 2 341.459 1.750 20 30 EDEDLO Cn1cc(CCC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004622667 712069364 /nfs/dbraw/zinc/06/93/64/712069364.db2.gz XYBCRAQFMWKUJJ-KRWDZBQOSA-N 1 2 329.448 1.579 20 30 EDEDLO Cn1cc(CCC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004622667 712069366 /nfs/dbraw/zinc/06/93/66/712069366.db2.gz XYBCRAQFMWKUJJ-KRWDZBQOSA-N 1 2 329.448 1.579 20 30 EDEDLO CCc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000052658628 214139640 /nfs/dbraw/zinc/13/96/40/214139640.db2.gz QDHKKUSAKURPCN-AWEZNQCLSA-N 1 2 330.432 1.880 20 30 EDEDLO CCc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000052658628 214139642 /nfs/dbraw/zinc/13/96/42/214139642.db2.gz QDHKKUSAKURPCN-AWEZNQCLSA-N 1 2 330.432 1.880 20 30 EDEDLO C[C@H](CNC(=O)N=c1nc(C(C)(C)C)[nH]s1)[NH+]1CCOCC1 ZINC000329106136 539407495 /nfs/dbraw/zinc/40/74/95/539407495.db2.gz HIFJZWOHQNHKLQ-SNVBAGLBSA-N 1 2 327.454 1.304 20 30 EDEDLO C[C@@H](CNC(=O)NCc1nnc(C(C)(C)C)s1)[NH+]1CCOCC1 ZINC000329867533 539470828 /nfs/dbraw/zinc/47/08/28/539470828.db2.gz WCVWYOXGZQWBAM-NSHDSACASA-N 1 2 341.481 1.560 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCC(=O)N3C)c[nH+]2)CCO1 ZINC000329998276 539486409 /nfs/dbraw/zinc/48/64/09/539486409.db2.gz SAFQLYLMWVXLPB-TZMCWYRMSA-N 1 2 332.404 1.384 20 30 EDEDLO N#Cc1ccsc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000103100766 219255669 /nfs/dbraw/zinc/25/56/69/219255669.db2.gz ZKQAPKZSZOBLJU-UHFFFAOYSA-N 1 2 331.401 1.401 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184100762 235306228 /nfs/dbraw/zinc/30/62/28/235306228.db2.gz VTLAYMSXDUZBIL-QGZVFWFLSA-N 1 2 344.411 1.901 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184100762 235306230 /nfs/dbraw/zinc/30/62/30/235306230.db2.gz VTLAYMSXDUZBIL-QGZVFWFLSA-N 1 2 344.411 1.901 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCCN(CC(F)F)CC1)C1(C#N)CCCCC1 ZINC000091084062 237010752 /nfs/dbraw/zinc/01/07/52/237010752.db2.gz LMKXOYGMQDODFN-UHFFFAOYSA-N 1 2 342.434 1.944 20 30 EDEDLO CN(C(=O)C[N@H+]1CCCN(CC(F)F)CC1)C1(C#N)CCCCC1 ZINC000091084062 237010763 /nfs/dbraw/zinc/01/07/63/237010763.db2.gz LMKXOYGMQDODFN-UHFFFAOYSA-N 1 2 342.434 1.944 20 30 EDEDLO N#CCCCCS(=O)(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000104108004 237053709 /nfs/dbraw/zinc/05/37/09/237053709.db2.gz OBIWKYFDPQSKSG-UHFFFAOYSA-N 1 2 327.475 1.889 20 30 EDEDLO N#CC1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCOCC1 ZINC000109139196 237107342 /nfs/dbraw/zinc/10/73/42/237107342.db2.gz GENUNWQMYVEMKM-UHFFFAOYSA-N 1 2 338.411 1.910 20 30 EDEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000022921900 212334581 /nfs/dbraw/zinc/33/45/81/212334581.db2.gz QFKOZNXNCKXZSV-UHFFFAOYSA-N 1 2 335.411 1.710 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000246554048 249310420 /nfs/dbraw/zinc/31/04/20/249310420.db2.gz DKWAEWOAVHETSH-GDBMZVCRSA-N 1 2 341.473 1.520 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000246554048 249310423 /nfs/dbraw/zinc/31/04/23/249310423.db2.gz DKWAEWOAVHETSH-GDBMZVCRSA-N 1 2 341.473 1.520 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000266413245 249348428 /nfs/dbraw/zinc/34/84/28/249348428.db2.gz PEQWPRGDDZIBRT-UHFFFAOYSA-N 1 2 335.379 1.634 20 30 EDEDLO COc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccn1 ZINC000287226698 249673519 /nfs/dbraw/zinc/67/35/19/249673519.db2.gz GJJVZEHEWYHVPS-UHFFFAOYSA-N 1 2 333.392 1.170 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000341867301 250002487 /nfs/dbraw/zinc/00/24/87/250002487.db2.gz JYVCUBZAZIAHHW-GDBMZVCRSA-N 1 2 348.447 1.291 20 30 EDEDLO CC(C)(C#N)CCCC[N@@H+]1C[C@@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000346070001 250039617 /nfs/dbraw/zinc/03/96/17/250039617.db2.gz PADRJAPRBGMGBJ-GJZGRUSLSA-N 1 2 325.428 1.978 20 30 EDEDLO CC(C)(C#N)CCCC[N@H+]1C[C@@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000346070001 250039620 /nfs/dbraw/zinc/03/96/20/250039620.db2.gz PADRJAPRBGMGBJ-GJZGRUSLSA-N 1 2 325.428 1.978 20 30 EDEDLO CC#CCCCC(=O)N(C)C[C@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351909695 250066885 /nfs/dbraw/zinc/06/68/85/250066885.db2.gz VQKWTVAYDAHJOG-DLBZAZTESA-N 1 2 334.439 1.985 20 30 EDEDLO CC#CCCCC(=O)N(C)C[C@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351909695 250066888 /nfs/dbraw/zinc/06/68/88/250066888.db2.gz VQKWTVAYDAHJOG-DLBZAZTESA-N 1 2 334.439 1.985 20 30 EDEDLO C=CC[C@@H]1N(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCC1(C)C ZINC000346990622 250050679 /nfs/dbraw/zinc/05/06/79/250050679.db2.gz VYBFOMLPIVRHND-CABCVRRESA-N 1 2 344.459 1.907 20 30 EDEDLO C=CCCC1(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000354662443 250096119 /nfs/dbraw/zinc/09/61/19/250096119.db2.gz CJZWYVJVSFPNRG-UHFFFAOYSA-N 1 2 329.448 1.461 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000358301521 250129788 /nfs/dbraw/zinc/12/97/88/250129788.db2.gz QBSKKECDXCPYLA-HNNXBMFYSA-N 1 2 337.445 1.489 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000362211916 250180300 /nfs/dbraw/zinc/18/03/00/250180300.db2.gz DLOJLVVERZNPJY-MAUKXSAKSA-N 1 2 340.427 1.420 20 30 EDEDLO CCS(=O)(=O)CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000374864677 250273955 /nfs/dbraw/zinc/27/39/55/250273955.db2.gz NUPOUTMRTLCBNE-UHFFFAOYSA-N 1 2 349.456 1.096 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2nccc(C#N)n2)CC1)C1CCCCC1 ZINC000450313024 254657831 /nfs/dbraw/zinc/65/78/31/254657831.db2.gz JVHHRRJPZBPPGC-UHFFFAOYSA-N 1 2 342.447 1.261 20 30 EDEDLO C=CCN(C)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000488947664 255060410 /nfs/dbraw/zinc/06/04/10/255060410.db2.gz RHGVBBQHWRQFPO-UHFFFAOYSA-N 1 2 331.420 1.111 20 30 EDEDLO C=CCCCS(=O)(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000489097592 255064439 /nfs/dbraw/zinc/06/44/39/255064439.db2.gz FBDZQWQXUOVLAU-CQSZACIVSA-N 1 2 334.507 1.080 20 30 EDEDLO Cc1ncc(S(=O)(=O)NCc2ccc(N(C)C)[nH+]c2)cc1C#N ZINC000489114734 255065176 /nfs/dbraw/zinc/06/51/76/255065176.db2.gz HMOPPOYUPWTRIL-UHFFFAOYSA-N 1 2 331.401 1.201 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCO2)CC1 ZINC000491069409 255117797 /nfs/dbraw/zinc/11/77/97/255117797.db2.gz VXKSZJLBWQCFBC-INIZCTEOSA-N 1 2 345.491 1.801 20 30 EDEDLO C#CC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000494695887 255258582 /nfs/dbraw/zinc/25/85/82/255258582.db2.gz YYVSFBVIVVFPDA-KBPBESRZSA-N 1 2 338.452 1.249 20 30 EDEDLO C#CC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000494695887 255258583 /nfs/dbraw/zinc/25/85/83/255258583.db2.gz YYVSFBVIVVFPDA-KBPBESRZSA-N 1 2 338.452 1.249 20 30 EDEDLO N#Cc1nccnc1Nc1ccc(N2CCN(C(=O)C3CC3)CC2)[nH+]c1 ZINC000263947853 139371552 /nfs/dbraw/zinc/37/15/52/139371552.db2.gz ZAFDTRVYGRXCCQ-UHFFFAOYSA-N 1 2 349.398 1.545 20 30 EDEDLO Cc1ncc(C[NH+]2CCN(C(=O)Cc3noc(C)c3C#N)CC2)s1 ZINC000331861355 141090493 /nfs/dbraw/zinc/09/04/93/141090493.db2.gz QQQBDBAYBWPILL-UHFFFAOYSA-N 1 2 345.428 1.507 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1F ZINC000332377577 141171621 /nfs/dbraw/zinc/17/16/21/141171621.db2.gz YCEXXPJVNCUMDQ-OAHLLOKOSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1F ZINC000332377577 141171622 /nfs/dbraw/zinc/17/16/22/141171622.db2.gz YCEXXPJVNCUMDQ-OAHLLOKOSA-N 1 2 337.420 1.697 20 30 EDEDLO Cc1cc(C[N@H+]2C[C@H](F)C[C@H]2CN(C)c2nccnc2C#N)on1 ZINC000340125536 142273838 /nfs/dbraw/zinc/27/38/38/142273838.db2.gz JARWIVJSZRQPBY-OLZOCXBDSA-N 1 2 330.367 1.694 20 30 EDEDLO Cc1cc(C[N@@H+]2C[C@H](F)C[C@H]2CN(C)c2nccnc2C#N)on1 ZINC000340125536 142273839 /nfs/dbraw/zinc/27/38/39/142273839.db2.gz JARWIVJSZRQPBY-OLZOCXBDSA-N 1 2 330.367 1.694 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)[C@H]1C ZINC000347189002 143292833 /nfs/dbraw/zinc/29/28/33/143292833.db2.gz CWXVTRBGDSWYFI-GMXVVIOVSA-N 1 2 333.388 1.979 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)[C@H]1C ZINC000347189002 143292834 /nfs/dbraw/zinc/29/28/34/143292834.db2.gz CWXVTRBGDSWYFI-GMXVVIOVSA-N 1 2 333.388 1.979 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347290135 143304402 /nfs/dbraw/zinc/30/44/02/143304402.db2.gz MADPJKGQCOSLEM-OKILXGFUSA-N 1 2 325.206 1.638 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347290135 143304403 /nfs/dbraw/zinc/30/44/03/143304403.db2.gz MADPJKGQCOSLEM-OKILXGFUSA-N 1 2 325.206 1.638 20 30 EDEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355118043 150124128 /nfs/dbraw/zinc/12/41/28/150124128.db2.gz AKAXMKCEOZVDBY-QGZVFWFLSA-N 1 2 341.459 1.866 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CC(=O)NCC3CCCCC3)CC2)n1 ZINC000355128155 150127945 /nfs/dbraw/zinc/12/79/45/150127945.db2.gz QIWCLPFYBFWRCO-UHFFFAOYSA-N 1 2 341.459 1.772 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000357806784 151157505 /nfs/dbraw/zinc/15/75/05/151157505.db2.gz NPWPFYFHGPHGNL-HNNXBMFYSA-N 1 2 337.383 1.400 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000357806784 151157507 /nfs/dbraw/zinc/15/75/07/151157507.db2.gz NPWPFYFHGPHGNL-HNNXBMFYSA-N 1 2 337.383 1.400 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c(F)c1 ZINC000360434835 152040838 /nfs/dbraw/zinc/04/08/38/152040838.db2.gz BMWAHCFELVDRRV-QGZVFWFLSA-N 1 2 346.406 1.432 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cc1 ZINC000364044736 153131234 /nfs/dbraw/zinc/13/12/34/153131234.db2.gz YWVWELPBCXOYQT-BMFZPTHFSA-N 1 2 326.400 1.615 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cc1 ZINC000364044736 153131235 /nfs/dbraw/zinc/13/12/35/153131235.db2.gz YWVWELPBCXOYQT-BMFZPTHFSA-N 1 2 326.400 1.615 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)nc1 ZINC000367992530 154360093 /nfs/dbraw/zinc/36/00/93/154360093.db2.gz CVTDZGIPQVXVIX-AWEZNQCLSA-N 1 2 345.428 1.330 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)nc1 ZINC000367992530 154360097 /nfs/dbraw/zinc/36/00/97/154360097.db2.gz CVTDZGIPQVXVIX-AWEZNQCLSA-N 1 2 345.428 1.330 20 30 EDEDLO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368044862 154382128 /nfs/dbraw/zinc/38/21/28/154382128.db2.gz MSPFHTZBTKXYFE-KRWDZBQOSA-N 1 2 328.416 1.563 20 30 EDEDLO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368044862 154382130 /nfs/dbraw/zinc/38/21/30/154382130.db2.gz MSPFHTZBTKXYFE-KRWDZBQOSA-N 1 2 328.416 1.563 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374340970 157251831 /nfs/dbraw/zinc/25/18/31/157251831.db2.gz MQWDHDLYGDAANR-AWEZNQCLSA-N 1 2 337.383 1.555 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000352510934 162221562 /nfs/dbraw/zinc/22/15/62/162221562.db2.gz PMYBQZTUVIWZKF-UHFFFAOYSA-N 1 2 333.351 1.948 20 30 EDEDLO COCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H](C)C(N)=O ZINC000160033537 225323560 /nfs/dbraw/zinc/32/35/60/225323560.db2.gz PQLGWCYUUSWUPF-LBPRGKRZSA-N 1 2 344.333 1.759 20 30 EDEDLO COCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H](C)C(N)=O ZINC000160033537 225323565 /nfs/dbraw/zinc/32/35/65/225323565.db2.gz PQLGWCYUUSWUPF-LBPRGKRZSA-N 1 2 344.333 1.759 20 30 EDEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC000124238652 222397652 /nfs/dbraw/zinc/39/76/52/222397652.db2.gz XNUWELAKDXFTFQ-HUUCEWRRSA-N 1 2 342.447 1.165 20 30 EDEDLO CC(C)(C)N1CC[C@@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1=O ZINC000424113904 266849587 /nfs/dbraw/zinc/84/95/87/266849587.db2.gz OXKJUWKBHAMTCJ-OAHLLOKOSA-N 1 2 327.432 1.475 20 30 EDEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCOC2)O1 ZINC000280580814 267234972 /nfs/dbraw/zinc/23/49/72/267234972.db2.gz STWGDFVHFCEPCN-UGSOOPFHSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@]2(CCOC2)O1 ZINC000280580814 267234976 /nfs/dbraw/zinc/23/49/76/267234976.db2.gz STWGDFVHFCEPCN-UGSOOPFHSA-N 1 2 340.383 1.988 20 30 EDEDLO CCn1c(COc2ccc(C#N)cc2)nnc1N1CCn2cc[nH+]c2C1 ZINC000517208457 267249833 /nfs/dbraw/zinc/24/98/33/267249833.db2.gz AWCLEMXUGYWPAY-UHFFFAOYSA-N 1 2 349.398 1.965 20 30 EDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000453952207 267256515 /nfs/dbraw/zinc/25/65/15/267256515.db2.gz AUOFHZDWGBVEDV-GFCCVEGCSA-N 1 2 337.383 1.541 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(Br)cc1C#N ZINC000414119904 267304111 /nfs/dbraw/zinc/30/41/11/267304111.db2.gz FELYENACBJUNGZ-ZDUSSCGKSA-N 1 2 338.205 1.906 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Br)cc1C#N ZINC000414119904 267304112 /nfs/dbraw/zinc/30/41/12/267304112.db2.gz FELYENACBJUNGZ-ZDUSSCGKSA-N 1 2 338.205 1.906 20 30 EDEDLO Cc1cc(C#N)nc(N(C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000286645149 267314068 /nfs/dbraw/zinc/31/40/68/267314068.db2.gz LBROEVCSFSBMEW-ZFWWWQNUSA-N 1 2 343.410 1.439 20 30 EDEDLO N#Cc1c(F)cccc1C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000428439749 268163719 /nfs/dbraw/zinc/16/37/19/268163719.db2.gz MPVHYYOQGBZWDC-QGZVFWFLSA-N 1 2 331.391 1.549 20 30 EDEDLO N#Cc1c(NC(=O)C[N@H+]2C[C@H](CO)[C@H](O)C2)sc2c1CCCCC2 ZINC000459714628 268166381 /nfs/dbraw/zinc/16/63/81/268166381.db2.gz VBJFNZNHJRULBE-BXUZGUMPSA-N 1 2 349.456 1.112 20 30 EDEDLO N#Cc1c(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](O)C2)sc2c1CCCCC2 ZINC000459714628 268166382 /nfs/dbraw/zinc/16/63/82/268166382.db2.gz VBJFNZNHJRULBE-BXUZGUMPSA-N 1 2 349.456 1.112 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)nc1 ZINC000292095008 268184915 /nfs/dbraw/zinc/18/49/15/268184915.db2.gz FWNYDZVDFUFNGP-KRWDZBQOSA-N 1 2 347.378 1.917 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3cccc(C#N)c3)C2)nc1 ZINC000292095008 268184916 /nfs/dbraw/zinc/18/49/16/268184916.db2.gz FWNYDZVDFUFNGP-KRWDZBQOSA-N 1 2 347.378 1.917 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000451882319 268242319 /nfs/dbraw/zinc/24/23/19/268242319.db2.gz CBUAEVFPVXGIRJ-SMDDNHRTSA-N 1 2 327.306 1.742 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000451882319 268242321 /nfs/dbraw/zinc/24/23/21/268242321.db2.gz CBUAEVFPVXGIRJ-SMDDNHRTSA-N 1 2 327.306 1.742 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000531787616 268253274 /nfs/dbraw/zinc/25/32/74/268253274.db2.gz XVVDLNIDQZJHDN-LBPRGKRZSA-N 1 2 334.376 1.989 20 30 EDEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000291113640 268276582 /nfs/dbraw/zinc/27/65/82/268276582.db2.gz MTSUMIOJIGUYFU-UHFFFAOYSA-N 1 2 337.383 1.906 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000173080649 275383409 /nfs/dbraw/zinc/38/34/09/275383409.db2.gz INOJXQFZCZNIRC-UHFFFAOYSA-N 1 2 338.411 1.065 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000173080649 275383410 /nfs/dbraw/zinc/38/34/10/275383410.db2.gz INOJXQFZCZNIRC-UHFFFAOYSA-N 1 2 338.411 1.065 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000356716286 289048353 /nfs/dbraw/zinc/04/83/53/289048353.db2.gz XCVIKXJRMSBHAB-BXUZGUMPSA-N 1 2 334.807 1.542 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)CC(C)(C)C#N)CCC(=O)N1C1CC1 ZINC000345056320 303031599 /nfs/dbraw/zinc/03/15/99/303031599.db2.gz JMWYHDOHWDQBLK-CXAGYDPISA-N 1 2 343.431 1.671 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)nc1Cl ZINC000367394791 303187959 /nfs/dbraw/zinc/18/79/59/303187959.db2.gz RTDBZMJUGKCIJW-AWEZNQCLSA-N 1 2 348.834 1.934 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000173753131 303203711 /nfs/dbraw/zinc/20/37/11/303203711.db2.gz VDGWRGPFJFQVEX-QGZVFWFLSA-N 1 2 349.456 1.185 20 30 EDEDLO CC(C)(CC#N)CNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000422133085 447364907 /nfs/dbraw/zinc/36/49/07/447364907.db2.gz PLRRLGZHUARHDH-UHFFFAOYSA-N 1 2 339.399 1.545 20 30 EDEDLO O=C(NCC#Cc1ccccc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000045430529 440984967 /nfs/dbraw/zinc/98/49/67/440984967.db2.gz FHSWMDWZYYSUNO-UHFFFAOYSA-N 1 2 334.423 1.961 20 30 EDEDLO CCOCCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000057422566 441114852 /nfs/dbraw/zinc/11/48/52/441114852.db2.gz AGOMUUWNKPGMLD-MRXNPFEDSA-N 1 2 345.443 1.644 20 30 EDEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)NCc2ccco2)CC1 ZINC000046086640 441080412 /nfs/dbraw/zinc/08/04/12/441080412.db2.gz TUYVDNWSZSSAOI-UHFFFAOYSA-N 1 2 338.411 1.980 20 30 EDEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)NCc2ccco2)CC1 ZINC000046086640 441080415 /nfs/dbraw/zinc/08/04/15/441080415.db2.gz TUYVDNWSZSSAOI-UHFFFAOYSA-N 1 2 338.411 1.980 20 30 EDEDLO N#Cc1ccc(NCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000080914315 441206642 /nfs/dbraw/zinc/20/66/42/441206642.db2.gz OMOYJJVQRULVJL-QGZVFWFLSA-N 1 2 328.416 1.293 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000105797449 441272493 /nfs/dbraw/zinc/27/24/93/441272493.db2.gz MEMDKEDTLFCPBJ-CQSZACIVSA-N 1 2 347.463 1.417 20 30 EDEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NCc2ccccc2C)cs1 ZINC000063456803 441329846 /nfs/dbraw/zinc/32/98/46/441329846.db2.gz PFAPUOLZTKEYGX-UHFFFAOYSA-N 1 2 332.429 1.908 20 30 EDEDLO C#CC[N@@H+](CC(=O)N(C)CC(=O)NCCC)Cc1ccc(F)cc1 ZINC000062363758 441301877 /nfs/dbraw/zinc/30/18/77/441301877.db2.gz MURQVRUOWPNXRF-UHFFFAOYSA-N 1 2 333.407 1.246 20 30 EDEDLO C#CC[N@H+](CC(=O)N(C)CC(=O)NCCC)Cc1ccc(F)cc1 ZINC000062363758 441301882 /nfs/dbraw/zinc/30/18/82/441301882.db2.gz MURQVRUOWPNXRF-UHFFFAOYSA-N 1 2 333.407 1.246 20 30 EDEDLO CC(C)(CNC(=O)Nc1cccc(OCC#N)c1)[NH+]1CCOCC1 ZINC000048510335 441311103 /nfs/dbraw/zinc/31/11/03/441311103.db2.gz POACYEDBGGNECQ-UHFFFAOYSA-N 1 2 332.404 1.821 20 30 EDEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCn3cc[nH+]c3)C2)n1 ZINC000081821102 441318434 /nfs/dbraw/zinc/31/84/34/441318434.db2.gz RSNZEOGFXQQCGT-INIZCTEOSA-N 1 2 338.415 1.491 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000051119644 441398584 /nfs/dbraw/zinc/39/85/84/441398584.db2.gz UKXOOMFIKWVVGL-INIZCTEOSA-N 1 2 344.459 1.825 20 30 EDEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)NCC(F)(F)F)CC1 ZINC000064634282 441387582 /nfs/dbraw/zinc/38/75/82/441387582.db2.gz XRSBNLRFTCCVCW-UHFFFAOYSA-N 1 2 341.337 1.144 20 30 EDEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)NCC(F)(F)F)CC1 ZINC000064634282 441387586 /nfs/dbraw/zinc/38/75/86/441387586.db2.gz XRSBNLRFTCCVCW-UHFFFAOYSA-N 1 2 341.337 1.144 20 30 EDEDLO N#CC1(NC(=O)CN2CC[NH+](Cc3ccccn3)CC2)CCCCC1 ZINC000025763091 441354787 /nfs/dbraw/zinc/35/47/87/441354787.db2.gz CTGOELAQMRUBCS-UHFFFAOYSA-N 1 2 341.459 1.542 20 30 EDEDLO CC[N@@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)C[C@H](C)C#N ZINC000064248678 441368197 /nfs/dbraw/zinc/36/81/97/441368197.db2.gz HYNISKMBENJNHM-OAHLLOKOSA-N 1 2 325.416 1.970 20 30 EDEDLO CC[N@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)C[C@H](C)C#N ZINC000064248678 441368198 /nfs/dbraw/zinc/36/81/98/441368198.db2.gz HYNISKMBENJNHM-OAHLLOKOSA-N 1 2 325.416 1.970 20 30 EDEDLO CN(c1ccc(-c2csc(NC(N)=[NH2+])n2)cc1)S(C)(=O)=O ZINC000030005231 441482713 /nfs/dbraw/zinc/48/27/13/441482713.db2.gz GSMYMOUFSMHNGD-UHFFFAOYSA-N 1 2 325.419 1.111 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(F)cc1F ZINC000087224974 441484502 /nfs/dbraw/zinc/48/45/02/441484502.db2.gz HGAGSTRDLNKSBF-UHFFFAOYSA-N 1 2 337.370 1.582 20 30 EDEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029253646 441454071 /nfs/dbraw/zinc/45/40/71/441454071.db2.gz WFEOBUNSXMOMDX-ZDUSSCGKSA-N 1 2 345.447 1.803 20 30 EDEDLO CC(C)(C)CCNC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000052508735 441455704 /nfs/dbraw/zinc/45/57/04/441455704.db2.gz WWCLUAVBUWGZPX-UHFFFAOYSA-N 1 2 329.448 1.628 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000088757783 441518801 /nfs/dbraw/zinc/51/88/01/441518801.db2.gz YMZGHYIOTDOGSC-AWEZNQCLSA-N 1 2 330.407 1.830 20 30 EDEDLO C[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000075680915 441548736 /nfs/dbraw/zinc/54/87/36/441548736.db2.gz NCNMRUGQKFYSCW-INIZCTEOSA-N 1 2 349.438 1.953 20 30 EDEDLO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000113438395 441608909 /nfs/dbraw/zinc/60/89/09/441608909.db2.gz VOAACXGUDZBIGB-ZDUSSCGKSA-N 1 2 348.472 1.963 20 30 EDEDLO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000113438395 441608910 /nfs/dbraw/zinc/60/89/10/441608910.db2.gz VOAACXGUDZBIGB-ZDUSSCGKSA-N 1 2 348.472 1.963 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158233743 441709419 /nfs/dbraw/zinc/70/94/19/441709419.db2.gz PCWXVXRJZAJRJV-DOMZBBRYSA-N 1 2 331.416 1.953 20 30 EDEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)Cc1cccs1 ZINC000076650757 441669031 /nfs/dbraw/zinc/66/90/31/441669031.db2.gz GVSFPHOYILSXMO-OAHLLOKOSA-N 1 2 335.473 1.863 20 30 EDEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)Cc1cccs1 ZINC000076650757 441669037 /nfs/dbraw/zinc/66/90/37/441669037.db2.gz GVSFPHOYILSXMO-OAHLLOKOSA-N 1 2 335.473 1.863 20 30 EDEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)Cc1cccs1 ZINC000076650759 441669578 /nfs/dbraw/zinc/66/95/78/441669578.db2.gz GVSFPHOYILSXMO-HNNXBMFYSA-N 1 2 335.473 1.863 20 30 EDEDLO C=CC[N@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)Cc1cccs1 ZINC000076650759 441669579 /nfs/dbraw/zinc/66/95/79/441669579.db2.gz GVSFPHOYILSXMO-HNNXBMFYSA-N 1 2 335.473 1.863 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000116307060 441809666 /nfs/dbraw/zinc/80/96/66/441809666.db2.gz MIDNAZSCGIHBOX-AWEZNQCLSA-N 1 2 349.866 1.613 20 30 EDEDLO NC(=[NH+]OCC(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000122026491 441830470 /nfs/dbraw/zinc/83/04/70/441830470.db2.gz IQOCCNDKHJXMBH-UHFFFAOYSA-N 1 2 331.294 1.201 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc(CC(C)C)s2)CC1 ZINC000122257282 441842858 /nfs/dbraw/zinc/84/28/58/441842858.db2.gz BOEUQXMDRHXWEQ-UHFFFAOYSA-N 1 2 336.505 1.761 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000043566498 441848186 /nfs/dbraw/zinc/84/81/86/441848186.db2.gz ARSBUQYYVREDQN-LBPRGKRZSA-N 1 2 347.415 1.462 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000043566498 441848190 /nfs/dbraw/zinc/84/81/90/441848190.db2.gz ARSBUQYYVREDQN-LBPRGKRZSA-N 1 2 347.415 1.462 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC(=O)NC1CC1 ZINC000122462276 441850817 /nfs/dbraw/zinc/85/08/17/441850817.db2.gz DRJCVSZKHHANOQ-CQSZACIVSA-N 1 2 328.416 1.532 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC(=O)NC1CC1 ZINC000122462276 441850822 /nfs/dbraw/zinc/85/08/22/441850822.db2.gz DRJCVSZKHHANOQ-CQSZACIVSA-N 1 2 328.416 1.532 20 30 EDEDLO COCCC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000120478622 442080047 /nfs/dbraw/zinc/08/00/47/442080047.db2.gz FFEKHFJYVWZRPJ-HNNXBMFYSA-N 1 2 340.420 1.723 20 30 EDEDLO COCCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000120478622 442080052 /nfs/dbraw/zinc/08/00/52/442080052.db2.gz FFEKHFJYVWZRPJ-HNNXBMFYSA-N 1 2 340.420 1.723 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCNC(=O)CC2)cc1 ZINC000126167306 442085163 /nfs/dbraw/zinc/08/51/63/442085163.db2.gz JWIDNVXYYBYQEZ-OAHLLOKOSA-N 1 2 328.416 1.452 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCNC(=O)CC2)cc1 ZINC000126167306 442085166 /nfs/dbraw/zinc/08/51/66/442085166.db2.gz JWIDNVXYYBYQEZ-OAHLLOKOSA-N 1 2 328.416 1.452 20 30 EDEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)CCO)c(Br)c1 ZINC000121337243 442205036 /nfs/dbraw/zinc/20/50/36/442205036.db2.gz PFWPHEDZAIMLJP-UHFFFAOYSA-N 1 2 330.182 1.367 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000121203176 442191661 /nfs/dbraw/zinc/19/16/61/442191661.db2.gz VIWMJRCJTGVFEW-AWEZNQCLSA-N 1 2 348.410 1.939 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000121203176 442191665 /nfs/dbraw/zinc/19/16/65/442191665.db2.gz VIWMJRCJTGVFEW-AWEZNQCLSA-N 1 2 348.410 1.939 20 30 EDEDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000164651449 442200021 /nfs/dbraw/zinc/20/00/21/442200021.db2.gz VGVUKTUVDGUNHN-HNNXBMFYSA-N 1 2 347.440 1.867 20 30 EDEDLO CCOC(=O)[C@@H]1CSCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000164651449 442200026 /nfs/dbraw/zinc/20/00/26/442200026.db2.gz VGVUKTUVDGUNHN-HNNXBMFYSA-N 1 2 347.440 1.867 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000170658936 442244227 /nfs/dbraw/zinc/24/42/27/442244227.db2.gz HJQJDBFFKZDQGB-UHFFFAOYSA-N 1 2 342.424 1.290 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000170658936 442244230 /nfs/dbraw/zinc/24/42/30/442244230.db2.gz HJQJDBFFKZDQGB-UHFFFAOYSA-N 1 2 342.424 1.290 20 30 EDEDLO Cc1cc(C#N)ccc1CN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000186255686 442497680 /nfs/dbraw/zinc/49/76/80/442497680.db2.gz RNVYEDILTRBHRD-QGZVFWFLSA-N 1 2 340.471 1.995 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000186286766 442504435 /nfs/dbraw/zinc/50/44/35/442504435.db2.gz BLBYTVQLQUURNU-MRXNPFEDSA-N 1 2 342.443 1.096 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000186286766 442504437 /nfs/dbraw/zinc/50/44/37/442504437.db2.gz BLBYTVQLQUURNU-MRXNPFEDSA-N 1 2 342.443 1.096 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCNC(=O)[C@@H]2CC)c(OC)c1 ZINC000156476510 442484571 /nfs/dbraw/zinc/48/45/71/442484571.db2.gz ZXZFUJUTAQHGNY-HOTGVXAUSA-N 1 2 348.443 1.374 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCNC(=O)[C@@H]2CC)c(OC)c1 ZINC000156476510 442484573 /nfs/dbraw/zinc/48/45/73/442484573.db2.gz ZXZFUJUTAQHGNY-HOTGVXAUSA-N 1 2 348.443 1.374 20 30 EDEDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000157538254 442591304 /nfs/dbraw/zinc/59/13/04/442591304.db2.gz NRVGBJGUXXJAHC-UHFFFAOYSA-N 1 2 348.472 1.945 20 30 EDEDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000157538254 442591309 /nfs/dbraw/zinc/59/13/09/442591309.db2.gz NRVGBJGUXXJAHC-UHFFFAOYSA-N 1 2 348.472 1.945 20 30 EDEDLO N#CC1(c2ccc(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)cc2)CC1 ZINC000180412834 442597500 /nfs/dbraw/zinc/59/75/00/442597500.db2.gz STEJQQRWEPVBIU-QGZVFWFLSA-N 1 2 325.412 1.835 20 30 EDEDLO N#CC1(c2ccc(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)cc2)CC1 ZINC000180412834 442597503 /nfs/dbraw/zinc/59/75/03/442597503.db2.gz STEJQQRWEPVBIU-QGZVFWFLSA-N 1 2 325.412 1.835 20 30 EDEDLO Cc1nc(NCCNC(=O)C2N=CC=CC2=O)c2c([nH+]1)CCCC2 ZINC000180435922 442602328 /nfs/dbraw/zinc/60/23/28/442602328.db2.gz WVHCCXSCUICSAE-ICFOKQHNSA-N 1 2 327.388 1.602 20 30 EDEDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc(C#N)nc3)[nH+]c12 ZINC000180246907 442566162 /nfs/dbraw/zinc/56/61/62/442566162.db2.gz JVJQQEJJXFLJPM-UHFFFAOYSA-N 1 2 327.369 1.388 20 30 EDEDLO Cc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)cc1 ZINC000158143623 442649700 /nfs/dbraw/zinc/64/97/00/442649700.db2.gz BSKXUWSBJWXHTL-UHFFFAOYSA-N 1 2 339.395 1.883 20 30 EDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000192220432 442616094 /nfs/dbraw/zinc/61/60/94/442616094.db2.gz MDNOKRPTVVLHDH-JTQLQIEISA-N 1 2 339.317 1.944 20 30 EDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000192220432 442616098 /nfs/dbraw/zinc/61/60/98/442616098.db2.gz MDNOKRPTVVLHDH-JTQLQIEISA-N 1 2 339.317 1.944 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135651672 442622911 /nfs/dbraw/zinc/62/29/11/442622911.db2.gz LTOHBLHQCSEYSY-HNNXBMFYSA-N 1 2 335.448 1.599 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135651672 442622915 /nfs/dbraw/zinc/62/29/15/442622915.db2.gz LTOHBLHQCSEYSY-HNNXBMFYSA-N 1 2 335.448 1.599 20 30 EDEDLO C=CC[N@@H+](Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCS(=O)(=O)C1 ZINC000186912952 442629540 /nfs/dbraw/zinc/62/95/40/442629540.db2.gz ZUFJESAYBDGDNY-MRXNPFEDSA-N 1 2 348.468 1.771 20 30 EDEDLO C=CC[N@H+](Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCS(=O)(=O)C1 ZINC000186912952 442629545 /nfs/dbraw/zinc/62/95/45/442629545.db2.gz ZUFJESAYBDGDNY-MRXNPFEDSA-N 1 2 348.468 1.771 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000193251016 442725963 /nfs/dbraw/zinc/72/59/63/442725963.db2.gz AYVSQPJPCBOKBM-AWEZNQCLSA-N 1 2 328.478 1.475 20 30 EDEDLO CC(C)COC[C@H](O)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610967632 450395067 /nfs/dbraw/zinc/39/50/67/450395067.db2.gz LXRDPUHYJADEPG-OAHLLOKOSA-N 1 2 348.447 1.579 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000188098869 442711236 /nfs/dbraw/zinc/71/12/36/442711236.db2.gz OKTBWLYWESBKLY-UHFFFAOYSA-N 1 2 337.445 1.256 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000188098869 442711238 /nfs/dbraw/zinc/71/12/38/442711238.db2.gz OKTBWLYWESBKLY-UHFFFAOYSA-N 1 2 337.445 1.256 20 30 EDEDLO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000189128583 442882244 /nfs/dbraw/zinc/88/22/44/442882244.db2.gz MYXSARIHGFYBBZ-NSHDSACASA-N 1 2 343.399 1.989 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000248775694 442925337 /nfs/dbraw/zinc/92/53/37/442925337.db2.gz BCUYLVFFCYGFDX-ZOBUZTSGSA-N 1 2 347.459 1.945 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000248775694 442925342 /nfs/dbraw/zinc/92/53/42/442925342.db2.gz BCUYLVFFCYGFDX-ZOBUZTSGSA-N 1 2 347.459 1.945 20 30 EDEDLO N#Cc1ccc(C[N@@H+](CC(=O)NCC(=O)N2CCCC2)C2CC2)cc1 ZINC000194960916 442972234 /nfs/dbraw/zinc/97/22/34/442972234.db2.gz KGQGKSNCVFJNHC-UHFFFAOYSA-N 1 2 340.427 1.261 20 30 EDEDLO N#Cc1ccc(C[N@H+](CC(=O)NCC(=O)N2CCCC2)C2CC2)cc1 ZINC000194960916 442972238 /nfs/dbraw/zinc/97/22/38/442972238.db2.gz KGQGKSNCVFJNHC-UHFFFAOYSA-N 1 2 340.427 1.261 20 30 EDEDLO CC(C)(C#N)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000194965435 442973704 /nfs/dbraw/zinc/97/37/04/442973704.db2.gz ULQAWWJYFRWQJU-UHFFFAOYSA-N 1 2 331.416 1.564 20 30 EDEDLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)CCCC#N)C[C@@H](C)O1 ZINC000253542294 443073058 /nfs/dbraw/zinc/07/30/58/443073058.db2.gz ORQUFRSHKWTCQN-RBSFLKMASA-N 1 2 329.466 1.194 20 30 EDEDLO CSc1ccc(OCCO[NH+]=C(N)C(C)(C)NC(C)=O)cc1 ZINC000266359381 443105826 /nfs/dbraw/zinc/10/58/26/443105826.db2.gz YWKFYSFYTCDVRN-UHFFFAOYSA-N 1 2 325.434 1.991 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)c1C#N ZINC000266572807 443172535 /nfs/dbraw/zinc/17/25/35/443172535.db2.gz RQKGCWPONCPJRA-UHFFFAOYSA-N 1 2 337.383 1.654 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCO[C@@]2(CCOC2)C1)c1ccccc1 ZINC000185210752 443162058 /nfs/dbraw/zinc/16/20/58/443162058.db2.gz LKHCPOMQKJTCGR-SFHVURJKSA-N 1 2 329.400 1.425 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCO[C@@]2(CCOC2)C1)c1ccccc1 ZINC000185210752 443162064 /nfs/dbraw/zinc/16/20/64/443162064.db2.gz LKHCPOMQKJTCGR-SFHVURJKSA-N 1 2 329.400 1.425 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000264133323 443251764 /nfs/dbraw/zinc/25/17/64/443251764.db2.gz GSUQZZKEDMXVGW-UHFFFAOYSA-N 1 2 349.434 1.737 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000264133323 443251767 /nfs/dbraw/zinc/25/17/67/443251767.db2.gz GSUQZZKEDMXVGW-UHFFFAOYSA-N 1 2 349.434 1.737 20 30 EDEDLO CCC(CC)n1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000269262470 443257110 /nfs/dbraw/zinc/25/71/10/443257110.db2.gz IMYYDFKBUJVZRJ-UHFFFAOYSA-N 1 2 347.463 1.932 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246199683 443277956 /nfs/dbraw/zinc/27/79/56/443277956.db2.gz WWONDIOOYARDBT-RBSFLKMASA-N 1 2 343.493 1.282 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246199683 443277960 /nfs/dbraw/zinc/27/79/60/443277960.db2.gz WWONDIOOYARDBT-RBSFLKMASA-N 1 2 343.493 1.282 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccnc(C#N)c1 ZINC000610992830 450400859 /nfs/dbraw/zinc/40/08/59/450400859.db2.gz MWFFKOXEHDELKU-SFHVURJKSA-N 1 2 346.394 1.583 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](C(N)=O)c3ccccc3)C2=O)cc1 ZINC000272526366 443351512 /nfs/dbraw/zinc/35/15/12/443351512.db2.gz YGYZPMFVQWVPOX-ROUUACIJSA-N 1 2 348.406 1.870 20 30 EDEDLO COc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000278523098 443352456 /nfs/dbraw/zinc/35/24/56/443352456.db2.gz CUJJDMVUMKSJHJ-HUUCEWRRSA-N 1 2 349.456 1.694 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(S(=O)(=O)CCCC#N)C1 ZINC000282528352 443364318 /nfs/dbraw/zinc/36/43/18/443364318.db2.gz IDZWDCFWBFLBGV-CYBMUJFWSA-N 1 2 338.433 1.234 20 30 EDEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nccc(N)n3)CC2)c1 ZINC000269726816 443413179 /nfs/dbraw/zinc/41/31/79/443413179.db2.gz WGMXMALKMZACEV-UHFFFAOYSA-N 1 2 336.399 1.781 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CC)CC1 ZINC000282738112 443420396 /nfs/dbraw/zinc/42/03/96/443420396.db2.gz IYCQORQKLGFBBI-UHFFFAOYSA-N 1 2 339.443 1.675 20 30 EDEDLO C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000272896254 443482579 /nfs/dbraw/zinc/48/25/79/443482579.db2.gz FLELBOLJHVYNJP-OAHLLOKOSA-N 1 2 326.400 1.925 20 30 EDEDLO C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000272896254 443482582 /nfs/dbraw/zinc/48/25/82/443482582.db2.gz FLELBOLJHVYNJP-OAHLLOKOSA-N 1 2 326.400 1.925 20 30 EDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc(C#N)cc1C(F)(F)F ZINC000267529806 443486171 /nfs/dbraw/zinc/48/61/71/443486171.db2.gz KEONFJPHUHRYFJ-ZDUSSCGKSA-N 1 2 343.349 1.706 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1OCCCC#N ZINC000271330564 443500660 /nfs/dbraw/zinc/50/06/60/443500660.db2.gz MWJRFWWSIUPPRU-CXAGYDPISA-N 1 2 347.415 1.452 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1OCCCC#N ZINC000271330564 443500664 /nfs/dbraw/zinc/50/06/64/443500664.db2.gz MWJRFWWSIUPPRU-CXAGYDPISA-N 1 2 347.415 1.452 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000273076987 443532758 /nfs/dbraw/zinc/53/27/58/443532758.db2.gz GRZVUMCKISFQHV-RISCZKNCSA-N 1 2 325.359 1.596 20 30 EDEDLO C#CCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273358856 443566969 /nfs/dbraw/zinc/56/69/69/443566969.db2.gz WIFUSRKXBRZNLX-UHFFFAOYSA-N 1 2 335.205 1.880 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000273384895 443569779 /nfs/dbraw/zinc/56/97/79/443569779.db2.gz GQJNZORDJZCALS-IAGOWNOFSA-N 1 2 333.432 1.124 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000273384895 443569785 /nfs/dbraw/zinc/56/97/85/443569785.db2.gz GQJNZORDJZCALS-IAGOWNOFSA-N 1 2 333.432 1.124 20 30 EDEDLO C[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C2(CCC2)CO1 ZINC000625514235 450403025 /nfs/dbraw/zinc/40/30/25/450403025.db2.gz PPXOXJIKUWPGCP-HNNXBMFYSA-N 1 2 338.407 1.929 20 30 EDEDLO C[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C2(CCC2)CO1 ZINC000625514235 450403026 /nfs/dbraw/zinc/40/30/26/450403026.db2.gz PPXOXJIKUWPGCP-HNNXBMFYSA-N 1 2 338.407 1.929 20 30 EDEDLO C#CC[N@@H+](CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)C1CC1 ZINC000274164770 443596886 /nfs/dbraw/zinc/59/68/86/443596886.db2.gz MQMISKVOETZCGU-UHFFFAOYSA-N 1 2 334.441 1.906 20 30 EDEDLO C#CC[N@H+](CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)C1CC1 ZINC000274164770 443596889 /nfs/dbraw/zinc/59/68/89/443596889.db2.gz MQMISKVOETZCGU-UHFFFAOYSA-N 1 2 334.441 1.906 20 30 EDEDLO CCCCOC(=O)c1ccc(NC(=O)CO[NH+]=C(N)CCO)cc1 ZINC000274387387 443604679 /nfs/dbraw/zinc/60/46/79/443604679.db2.gz UODJKECSMVMXHD-UHFFFAOYSA-N 1 2 337.376 1.253 20 30 EDEDLO Cc1cn2cc(NC(=O)C(=O)N(CCC#N)CC3CC3)ccc2[nH+]1 ZINC000275961668 443647461 /nfs/dbraw/zinc/64/74/61/443647461.db2.gz HQIIQSNRAUSSGW-UHFFFAOYSA-N 1 2 325.372 1.734 20 30 EDEDLO C=CCn1c(C2CC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000283665395 443686079 /nfs/dbraw/zinc/68/60/79/443686079.db2.gz ZCZGDKSGRJURHN-UHFFFAOYSA-N 1 2 325.420 1.767 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCN(C=O)CC1 ZINC000298157051 443706314 /nfs/dbraw/zinc/70/63/14/443706314.db2.gz SCWRJCJQVJTZSG-OAHLLOKOSA-N 1 2 335.473 1.815 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCN(C=O)CC1 ZINC000298157051 443706316 /nfs/dbraw/zinc/70/63/16/443706316.db2.gz SCWRJCJQVJTZSG-OAHLLOKOSA-N 1 2 335.473 1.815 20 30 EDEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)[N@@H+]1CCc2ccccc2C1 ZINC000286624712 443718930 /nfs/dbraw/zinc/71/89/30/443718930.db2.gz MTMPKOXQKUGTLG-ZDUSSCGKSA-N 1 2 345.424 1.876 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1cc(C#N)ccn1 ZINC000290966486 443722795 /nfs/dbraw/zinc/72/27/95/443722795.db2.gz PFHZKJURPFHFCS-GJZGRUSLSA-N 1 2 328.395 1.736 20 30 EDEDLO CC(C)n1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000280684146 443741081 /nfs/dbraw/zinc/74/10/81/443741081.db2.gz GDIKFMPEIBJWIQ-UHFFFAOYSA-N 1 2 334.424 1.544 20 30 EDEDLO C=CCCCS(=O)(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000292201827 443783169 /nfs/dbraw/zinc/78/31/69/443783169.db2.gz GPCQCMCPXHHGLS-AWEZNQCLSA-N 1 2 339.461 1.897 20 30 EDEDLO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292269409 443787830 /nfs/dbraw/zinc/78/78/30/443787830.db2.gz SBJCILZSWQLGGL-CYBMUJFWSA-N 1 2 345.403 1.031 20 30 EDEDLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292269409 443787834 /nfs/dbraw/zinc/78/78/34/443787834.db2.gz SBJCILZSWQLGGL-CYBMUJFWSA-N 1 2 345.403 1.031 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000291280520 443754813 /nfs/dbraw/zinc/75/48/13/443754813.db2.gz LWADTSHQUHJFLV-SFHVURJKSA-N 1 2 334.464 1.609 20 30 EDEDLO CS(=O)(=O)c1ccc(OCCCO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284072595 443762789 /nfs/dbraw/zinc/76/27/89/443762789.db2.gz KCECBQDGLNWFSI-CQSZACIVSA-N 1 2 342.417 1.327 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c[nH]1 ZINC000291644433 443763621 /nfs/dbraw/zinc/76/36/21/443763621.db2.gz UDRKQDNKXPFYTL-UHFFFAOYSA-N 1 2 345.428 1.760 20 30 EDEDLO C=CCN(CCC#N)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000292037131 443775173 /nfs/dbraw/zinc/77/51/73/443775173.db2.gz AAYQWOQMNGIDMA-UHFFFAOYSA-N 1 2 332.473 1.794 20 30 EDEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000284636666 443781876 /nfs/dbraw/zinc/78/18/76/443781876.db2.gz MCDNJODIHCFPEV-RDJZCZTQSA-N 1 2 331.391 1.909 20 30 EDEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000284636666 443781879 /nfs/dbraw/zinc/78/18/79/443781879.db2.gz MCDNJODIHCFPEV-RDJZCZTQSA-N 1 2 331.391 1.909 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCc2cccc(COC)c2)C1=O ZINC000281201952 443846408 /nfs/dbraw/zinc/84/64/08/443846408.db2.gz CMNGLTXVEKTEAD-KRWDZBQOSA-N 1 2 345.443 1.168 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCc2cccc(COC)c2)C1=O ZINC000281201952 443846411 /nfs/dbraw/zinc/84/64/11/443846411.db2.gz CMNGLTXVEKTEAD-KRWDZBQOSA-N 1 2 345.443 1.168 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCc3sccc3C2)C1=O ZINC000281213137 443848989 /nfs/dbraw/zinc/84/89/89/443848989.db2.gz DJGQDTUPGRKCKO-AWEZNQCLSA-N 1 2 333.457 1.352 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCc3sccc3C2)C1=O ZINC000281213137 443848993 /nfs/dbraw/zinc/84/89/93/443848993.db2.gz DJGQDTUPGRKCKO-AWEZNQCLSA-N 1 2 333.457 1.352 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2c3ccccc3C[C@H]2C)C1=O ZINC000281289961 443870333 /nfs/dbraw/zinc/87/03/33/443870333.db2.gz JFSAHRUMKLICMV-RHSMWYFYSA-N 1 2 327.428 1.683 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2c3ccccc3C[C@H]2C)C1=O ZINC000281289961 443870337 /nfs/dbraw/zinc/87/03/37/443870337.db2.gz JFSAHRUMKLICMV-RHSMWYFYSA-N 1 2 327.428 1.683 20 30 EDEDLO Cn1c[nH+]cc1CNc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000288414683 443873679 /nfs/dbraw/zinc/87/36/79/443873679.db2.gz AREAOKMAHDPXGE-KNTRCKAVSA-N 1 2 347.444 1.845 20 30 EDEDLO C=CCCCS(=O)(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000292911684 443876407 /nfs/dbraw/zinc/87/64/07/443876407.db2.gz HJAOLWWWHCTKDR-CQSZACIVSA-N 1 2 339.461 1.692 20 30 EDEDLO COc1ccc([C@@H](CNc2ccncc2C#N)[NH+]2CCOCC2)cc1 ZINC000547361322 320825826 /nfs/dbraw/zinc/82/58/26/320825826.db2.gz ROJDSMPZCVHWLO-LJQANCHMSA-N 1 2 338.411 1.869 20 30 EDEDLO CC(C)[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nncn1C ZINC000285492464 444005485 /nfs/dbraw/zinc/00/54/85/444005485.db2.gz WYWGXWXHKLCANG-INIZCTEOSA-N 1 2 326.404 1.290 20 30 EDEDLO N#CCCOCC[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000293531011 444044909 /nfs/dbraw/zinc/04/49/09/444044909.db2.gz PLNTXAAFADIZHF-UHFFFAOYSA-N 1 2 335.835 1.957 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2Cc3c(OC)ccc(OC)c3[C@H](O)C2)C1=O ZINC000281948752 444047143 /nfs/dbraw/zinc/04/71/43/444047143.db2.gz JJOZBQDQRVMVJC-UONOGXRCSA-N 1 2 332.400 1.340 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2Cc3c(OC)ccc(OC)c3[C@H](O)C2)C1=O ZINC000281948752 444047147 /nfs/dbraw/zinc/04/71/47/444047147.db2.gz JJOZBQDQRVMVJC-UONOGXRCSA-N 1 2 332.400 1.340 20 30 EDEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000293485028 444031186 /nfs/dbraw/zinc/03/11/86/444031186.db2.gz MOZURRGVCRCTGB-UHFFFAOYSA-N 1 2 344.864 1.849 20 30 EDEDLO CSc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccn1 ZINC000299506457 444065979 /nfs/dbraw/zinc/06/59/79/444065979.db2.gz HOHQPTYLILOYLP-UHFFFAOYSA-N 1 2 334.445 1.492 20 30 EDEDLO N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000561432728 321041288 /nfs/dbraw/zinc/04/12/88/321041288.db2.gz LRLISFWRXNSYKC-CQSZACIVSA-N 1 2 336.399 1.061 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c(OC)c1 ZINC000282125293 444093069 /nfs/dbraw/zinc/09/30/69/444093069.db2.gz JSLHHQFLFWADBD-HOCLYGCPSA-N 1 2 348.443 1.326 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c(OC)c1 ZINC000282125293 444093071 /nfs/dbraw/zinc/09/30/71/444093071.db2.gz JSLHHQFLFWADBD-HOCLYGCPSA-N 1 2 348.443 1.326 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000567016507 321239246 /nfs/dbraw/zinc/23/92/46/321239246.db2.gz OHQZGSVSJZPITM-OKILXGFUSA-N 1 2 330.388 1.552 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000567016507 321239247 /nfs/dbraw/zinc/23/92/47/321239247.db2.gz OHQZGSVSJZPITM-OKILXGFUSA-N 1 2 330.388 1.552 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000289359959 444117626 /nfs/dbraw/zinc/11/76/26/444117626.db2.gz ICRUFIXQGRXKNJ-UHFFFAOYSA-N 1 2 349.431 1.374 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000295119928 444166231 /nfs/dbraw/zinc/16/62/31/444166231.db2.gz JPZDWJIBUCPGPZ-JQHSSLGASA-N 1 2 328.412 1.137 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000295119928 444166232 /nfs/dbraw/zinc/16/62/32/444166232.db2.gz JPZDWJIBUCPGPZ-JQHSSLGASA-N 1 2 328.412 1.137 20 30 EDEDLO Cc1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C#N)n3)CC2)s1 ZINC000302765905 444223321 /nfs/dbraw/zinc/22/33/21/444223321.db2.gz ZOODXXZFBBDWMX-UHFFFAOYSA-N 1 2 344.400 1.949 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CC[C@H](C)O3)n2CC(=C)C)CC1 ZINC000295958259 444196173 /nfs/dbraw/zinc/19/61/73/444196173.db2.gz KPNDXJOIRYXDRI-HOTGVXAUSA-N 1 2 329.448 1.849 20 30 EDEDLO C#CC[NH+]1CCN(c2c3c(C)nn(C)c3ncc2C(=O)OCC)CC1 ZINC000302084365 444203680 /nfs/dbraw/zinc/20/36/80/444203680.db2.gz DKDRMBRVIVLOPZ-UHFFFAOYSA-N 1 2 341.415 1.209 20 30 EDEDLO C#Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000297710273 444322301 /nfs/dbraw/zinc/32/23/01/444322301.db2.gz RSPPQLGDWNCGMN-GOSISDBHSA-N 1 2 327.428 1.674 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@H](CO)C2)c(C)c1 ZINC000331008275 444357067 /nfs/dbraw/zinc/35/70/67/444357067.db2.gz YKHFCFBLIMWHTA-KKUMJFAQSA-N 1 2 349.431 1.435 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@H](CO)C2)c(C)c1 ZINC000331008275 444357072 /nfs/dbraw/zinc/35/70/72/444357072.db2.gz YKHFCFBLIMWHTA-KKUMJFAQSA-N 1 2 349.431 1.435 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340124300 444362890 /nfs/dbraw/zinc/36/28/90/444362890.db2.gz HGSLLDSJWKFRAA-UHFFFAOYSA-N 1 2 326.400 1.582 20 30 EDEDLO CC(=O)N1CC[C@H](CN(C)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000328841339 444370923 /nfs/dbraw/zinc/37/09/23/444370923.db2.gz ORTXSOQAXQKBCT-CVEARBPZSA-N 1 2 345.447 1.375 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000297976125 444374346 /nfs/dbraw/zinc/37/43/46/444374346.db2.gz YDBDTQTXEWLHMA-UHFFFAOYSA-N 1 2 347.434 1.895 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000297976125 444374350 /nfs/dbraw/zinc/37/43/50/444374350.db2.gz YDBDTQTXEWLHMA-UHFFFAOYSA-N 1 2 347.434 1.895 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328938973 444412580 /nfs/dbraw/zinc/41/25/80/444412580.db2.gz KFWQFLOMCKHFMG-OUCADQQQSA-N 1 2 340.449 1.120 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCOC3(CCOCC3)C1)CCC2 ZINC000328663273 444419779 /nfs/dbraw/zinc/41/97/79/444419779.db2.gz XVCFRQBABRBIAR-HNNXBMFYSA-N 1 2 348.447 1.864 20 30 EDEDLO C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCO1)[C@H](C)[NH+]1CCOCC1 ZINC000328869534 444382226 /nfs/dbraw/zinc/38/22/26/444382226.db2.gz HQJDYFVOIAEFEH-JONQDZQNSA-N 1 2 325.453 1.653 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC(C)(C)OC3(C)C)C[C@H]21 ZINC000328873345 444383439 /nfs/dbraw/zinc/38/34/39/444383439.db2.gz JBROMZCMGVAINQ-MGPQQGTHSA-N 1 2 325.453 1.651 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC(C)(C)OC3(C)C)C[C@H]21 ZINC000328873345 444383442 /nfs/dbraw/zinc/38/34/42/444383442.db2.gz JBROMZCMGVAINQ-MGPQQGTHSA-N 1 2 325.453 1.651 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)Cc3ccccc3)C[C@H]21 ZINC000328903188 444396095 /nfs/dbraw/zinc/39/60/95/444396095.db2.gz HOFKAPJOAXWIGR-HZPDHXFCSA-N 1 2 331.416 1.117 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)Cc3ccccc3)C[C@H]21 ZINC000328903188 444396098 /nfs/dbraw/zinc/39/60/98/444396098.db2.gz HOFKAPJOAXWIGR-HZPDHXFCSA-N 1 2 331.416 1.117 20 30 EDEDLO CCN1CCOC[C@@H]1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000329091690 444469805 /nfs/dbraw/zinc/46/98/05/444469805.db2.gz WZQSXYKMHFGCOK-GOEBONIOSA-N 1 2 348.447 1.484 20 30 EDEDLO Cc1[nH+]ccn1C[C@H](C)CNC([O-])=[NH+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329118751 444477213 /nfs/dbraw/zinc/47/72/13/444477213.db2.gz OQOYMVCABZMFFT-UNEWFSDZSA-N 1 2 336.436 1.669 20 30 EDEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000329118751 444477216 /nfs/dbraw/zinc/47/72/16/444477216.db2.gz OQOYMVCABZMFFT-UNEWFSDZSA-N 1 2 336.436 1.669 20 30 EDEDLO N#Cc1cnn2cc(CNc3cccc(CN4CCOCC4)[nH+]3)cnc12 ZINC000580075498 322006449 /nfs/dbraw/zinc/00/64/49/322006449.db2.gz CJKYBHKMODJUIJ-UHFFFAOYSA-N 1 2 349.398 1.440 20 30 EDEDLO N#Cc1ccc(CNC(=O)NCC2([NH+]3CCOCC3)CC2)cc1F ZINC000581769220 322217835 /nfs/dbraw/zinc/21/78/35/322217835.db2.gz YOUKKAZQLKUSMG-UHFFFAOYSA-N 1 2 332.379 1.361 20 30 EDEDLO CC[C@H]1CCCN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332312084 444509267 /nfs/dbraw/zinc/50/92/67/444509267.db2.gz KPLFBGNDAUEHOC-HNNXBMFYSA-N 1 2 334.464 1.471 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc2c1OCO2 ZINC000329247793 444512442 /nfs/dbraw/zinc/51/24/42/444512442.db2.gz SDAIHEVTDSNAGI-OLZOCXBDSA-N 1 2 333.388 1.756 20 30 EDEDLO COc1cc(F)c(F)cc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329510313 444609369 /nfs/dbraw/zinc/60/93/69/444609369.db2.gz JZYBQULEVABZNQ-JSGCOSHPSA-N 1 2 327.331 1.534 20 30 EDEDLO COc1cc(F)c(F)cc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329510313 444609372 /nfs/dbraw/zinc/60/93/72/444609372.db2.gz JZYBQULEVABZNQ-JSGCOSHPSA-N 1 2 327.331 1.534 20 30 EDEDLO C[C@H](C(=O)NC1(c2ncon2)CCOCC1)[NH+]1CCSCC1 ZINC000329617967 444650955 /nfs/dbraw/zinc/65/09/55/444650955.db2.gz GAXMDQLZJZZZDT-LLVKDONJSA-N 1 2 326.422 1.469 20 30 EDEDLO C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCO1 ZINC000329645182 444663005 /nfs/dbraw/zinc/66/30/05/444663005.db2.gz JHWDQKVGQKHAPI-OAGGEKHMSA-N 1 2 325.453 1.512 20 30 EDEDLO Cc1noc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)n1 ZINC000329644910 444663079 /nfs/dbraw/zinc/66/30/79/444663079.db2.gz DIBUYBGPGJITIP-VXGBXAGGSA-N 1 2 330.392 1.752 20 30 EDEDLO Cc1noc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)n1 ZINC000329644910 444663083 /nfs/dbraw/zinc/66/30/83/444663083.db2.gz DIBUYBGPGJITIP-VXGBXAGGSA-N 1 2 330.392 1.752 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000329650034 444665715 /nfs/dbraw/zinc/66/57/15/444665715.db2.gz CDDIVHVZOUKTMB-ZIAGYGMSSA-N 1 2 349.431 1.697 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000329650034 444665721 /nfs/dbraw/zinc/66/57/21/444665721.db2.gz CDDIVHVZOUKTMB-ZIAGYGMSSA-N 1 2 349.431 1.697 20 30 EDEDLO CO[C@@H](C)c1nc(CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000329602910 444644393 /nfs/dbraw/zinc/64/43/93/444644393.db2.gz LCKKPCHDUUCHGT-WCFLWFBJSA-N 1 2 340.449 1.279 20 30 EDEDLO CO[C@@H](C)c1nc(CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000329602910 444644395 /nfs/dbraw/zinc/64/43/95/444644395.db2.gz LCKKPCHDUUCHGT-WCFLWFBJSA-N 1 2 340.449 1.279 20 30 EDEDLO C=C(C)COc1cc(C[N@@H+]2C[C@@H](OC)C[C@@H]2C(N)=O)ccc1OC ZINC000344013391 444728115 /nfs/dbraw/zinc/72/81/15/444728115.db2.gz UXBMDOLFIHIARM-LSDHHAIUSA-N 1 2 334.416 1.725 20 30 EDEDLO C=C(C)COc1cc(C[N@H+]2C[C@@H](OC)C[C@@H]2C(N)=O)ccc1OC ZINC000344013391 444728117 /nfs/dbraw/zinc/72/81/17/444728117.db2.gz UXBMDOLFIHIARM-LSDHHAIUSA-N 1 2 334.416 1.725 20 30 EDEDLO C[C@H]1[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)CCC[N@@H+]1C ZINC000343957127 444693727 /nfs/dbraw/zinc/69/37/27/444693727.db2.gz IBLJGYNCRXDRTI-TVQRCGJNSA-N 1 2 329.372 1.597 20 30 EDEDLO C[C@H]1[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)CCC[N@H+]1C ZINC000343957127 444693731 /nfs/dbraw/zinc/69/37/31/444693731.db2.gz IBLJGYNCRXDRTI-TVQRCGJNSA-N 1 2 329.372 1.597 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(C)c1 ZINC000329926472 444772294 /nfs/dbraw/zinc/77/22/94/444772294.db2.gz KTKZPHWKGQDLFZ-CVEARBPZSA-N 1 2 346.431 1.820 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c(C)c1 ZINC000329926472 444772296 /nfs/dbraw/zinc/77/22/96/444772296.db2.gz KTKZPHWKGQDLFZ-CVEARBPZSA-N 1 2 346.431 1.820 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(C)c1 ZINC000329926472 444772300 /nfs/dbraw/zinc/77/23/00/444772300.db2.gz KTKZPHWKGQDLFZ-CVEARBPZSA-N 1 2 346.431 1.820 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(C)c1 ZINC000329926472 444772304 /nfs/dbraw/zinc/77/23/04/444772304.db2.gz KTKZPHWKGQDLFZ-CVEARBPZSA-N 1 2 346.431 1.820 20 30 EDEDLO COc1c(Cl)cccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329933150 444775988 /nfs/dbraw/zinc/77/59/88/444775988.db2.gz PXVGGFYUNQQPKT-CHWSQXEVSA-N 1 2 325.796 1.909 20 30 EDEDLO COc1c(Cl)cccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329933150 444775991 /nfs/dbraw/zinc/77/59/91/444775991.db2.gz PXVGGFYUNQQPKT-CHWSQXEVSA-N 1 2 325.796 1.909 20 30 EDEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[S@@](=O)C1 ZINC000329987738 444801213 /nfs/dbraw/zinc/80/12/13/444801213.db2.gz GLGDPKSHXAKZQP-UZJPJQLHSA-N 1 2 326.809 1.512 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000330021570 444814401 /nfs/dbraw/zinc/81/44/01/444814401.db2.gz YAJNRNNONMGKGS-CHWSQXEVSA-N 1 2 328.438 1.170 20 30 EDEDLO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000330066848 444832298 /nfs/dbraw/zinc/83/22/98/444832298.db2.gz FDASHLAIWWFJJM-UONOGXRCSA-N 1 2 346.493 1.800 20 30 EDEDLO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000330066848 444832302 /nfs/dbraw/zinc/83/23/02/444832302.db2.gz FDASHLAIWWFJJM-UONOGXRCSA-N 1 2 346.493 1.800 20 30 EDEDLO C[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)c1nnc2n1CCCC2 ZINC000330093116 444840781 /nfs/dbraw/zinc/84/07/81/444840781.db2.gz ZKWKNSJPAOCVAE-LBPRGKRZSA-N 1 2 343.435 1.912 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccccn2)CC1 ZINC000330188193 444878948 /nfs/dbraw/zinc/87/89/48/444878948.db2.gz KZDQNICVJOPIMI-CQSZACIVSA-N 1 2 326.404 1.329 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCCc1[nH+]c2ccccc2n1CC ZINC000336931066 444859856 /nfs/dbraw/zinc/85/98/56/444859856.db2.gz BMAXYGRKHGYGGX-UHFFFAOYSA-N 1 2 349.460 1.669 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000341516416 444871372 /nfs/dbraw/zinc/87/13/72/444871372.db2.gz WYWNZROKHVFHGT-INIZCTEOSA-N 1 2 336.480 1.585 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000341516417 444871705 /nfs/dbraw/zinc/87/17/05/444871705.db2.gz WYWNZROKHVFHGT-MRXNPFEDSA-N 1 2 336.480 1.585 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCOC2(CCC2)C1)[NH+]1CCOCC1 ZINC000330219588 444892981 /nfs/dbraw/zinc/89/29/81/444892981.db2.gz PPSDDJVFABHKSF-RRFJBIMHSA-N 1 2 325.453 1.701 20 30 EDEDLO C[C@H](C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)n1cnc(C#N)n1 ZINC000336998735 444893727 /nfs/dbraw/zinc/89/37/27/444893727.db2.gz QPVIHUQLTXFWQO-ZWNOBZJWSA-N 1 2 348.357 1.408 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)NC[C@H]3CCC(F)(F)C3)CC2)cn1 ZINC000330307954 444930698 /nfs/dbraw/zinc/93/06/98/444930698.db2.gz SMEOLGIIYMNXOV-ZDUSSCGKSA-N 1 2 341.406 1.887 20 30 EDEDLO C[C@H](C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)n1cnc(C#N)n1 ZINC000337055513 444920316 /nfs/dbraw/zinc/92/03/16/444920316.db2.gz PHHBSMYUUTXRAJ-CYBMUJFWSA-N 1 2 342.378 1.194 20 30 EDEDLO CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)N(C)[C@H](C)CC#N ZINC000330414905 444972417 /nfs/dbraw/zinc/97/24/17/444972417.db2.gz NEYUJOLXTAFOQU-ZIAGYGMSSA-N 1 2 339.465 1.909 20 30 EDEDLO Cc1nnc([C@H]2CN(C(=O)NCc3ccc(N(C)C)[nH+]c3)CCO2)[nH]1 ZINC000330308397 444931215 /nfs/dbraw/zinc/93/12/15/444931215.db2.gz SROPTKNMBCOANP-CYBMUJFWSA-N 1 2 345.407 1.062 20 30 EDEDLO Cc1nc([C@H]2CN(C(=O)NCc3ccc(N(C)C)[nH+]c3)CCO2)n[nH]1 ZINC000330308397 444931218 /nfs/dbraw/zinc/93/12/18/444931218.db2.gz SROPTKNMBCOANP-CYBMUJFWSA-N 1 2 345.407 1.062 20 30 EDEDLO C[C@H]1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CCS1(=O)=O ZINC000330323148 444936554 /nfs/dbraw/zinc/93/65/54/444936554.db2.gz SUQRLJDINYWPSA-LBPRGKRZSA-N 1 2 340.449 1.142 20 30 EDEDLO CCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000330458128 444989328 /nfs/dbraw/zinc/98/93/28/444989328.db2.gz IAIREBSQQWFDLW-CQSZACIVSA-N 1 2 333.436 1.552 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccnn2C2CCCC2)C1=O ZINC000337220433 444990867 /nfs/dbraw/zinc/99/08/67/444990867.db2.gz KLNMCHOKXWERGV-OAHLLOKOSA-N 1 2 345.447 1.655 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccnn2C2CCCC2)C1=O ZINC000337220433 444990871 /nfs/dbraw/zinc/99/08/71/444990871.db2.gz KLNMCHOKXWERGV-OAHLLOKOSA-N 1 2 345.447 1.655 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NC(=O)NCC(C)C ZINC000330462431 444991061 /nfs/dbraw/zinc/99/10/61/444991061.db2.gz YPEGLRLYSHRZNT-MJBXVCDLSA-N 1 2 339.436 1.479 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)NC(=O)NCC(C)C ZINC000330462431 444991065 /nfs/dbraw/zinc/99/10/65/444991065.db2.gz YPEGLRLYSHRZNT-MJBXVCDLSA-N 1 2 339.436 1.479 20 30 EDEDLO Cc1nc(S(=O)(=O)N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cs1 ZINC000339033282 444998874 /nfs/dbraw/zinc/99/88/74/444998874.db2.gz NNZCLETZBXHZTP-STQMWFEESA-N 1 2 340.474 1.450 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCCNc2ccc3ccccc3[nH+]2)o1 ZINC000344543760 445047515 /nfs/dbraw/zinc/04/75/15/445047515.db2.gz HXENEBUWFZAZJD-UHFFFAOYSA-N 1 2 342.380 2.090 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000337339332 445038426 /nfs/dbraw/zinc/03/84/26/445038426.db2.gz OPJUBARFDDYYOR-SNVBAGLBSA-N 1 2 337.376 1.207 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000337339332 445038428 /nfs/dbraw/zinc/03/84/28/445038428.db2.gz OPJUBARFDDYYOR-SNVBAGLBSA-N 1 2 337.376 1.207 20 30 EDEDLO CN(CCC#N)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000343282840 445177450 /nfs/dbraw/zinc/17/74/50/445177450.db2.gz ABLCSUHNZAEEBL-BBRMVZONSA-N 1 2 329.404 1.234 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)[C@@H](C#N)CCc1ccccc1)[NH+]1CCOCC1 ZINC000346307281 445211487 /nfs/dbraw/zinc/21/14/87/445211487.db2.gz PWNUUPVNIRPYBA-LZLYRXPVSA-N 1 2 329.444 1.984 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346496376 445217060 /nfs/dbraw/zinc/21/70/60/445217060.db2.gz ULWRRLDQMXAYEX-GJZGRUSLSA-N 1 2 347.484 1.958 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346496376 445217061 /nfs/dbraw/zinc/21/70/61/445217061.db2.gz ULWRRLDQMXAYEX-GJZGRUSLSA-N 1 2 347.484 1.958 20 30 EDEDLO COc1ccc(OC)c(C[N@H+](CCO)CC(=O)NC2(C#N)CCC2)c1 ZINC000347058129 445230351 /nfs/dbraw/zinc/23/03/51/445230351.db2.gz RCPZUPNQWRUFNI-UHFFFAOYSA-N 1 2 347.415 1.061 20 30 EDEDLO COc1ccc(OC)c(C[N@@H+](CCO)CC(=O)NC2(C#N)CCC2)c1 ZINC000347058129 445230352 /nfs/dbraw/zinc/23/03/52/445230352.db2.gz RCPZUPNQWRUFNI-UHFFFAOYSA-N 1 2 347.415 1.061 20 30 EDEDLO CCS(=O)(=O)N1CC[N@H+](CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000347307501 445235548 /nfs/dbraw/zinc/23/55/48/445235548.db2.gz JOKVCMKCZZRYMQ-AWEZNQCLSA-N 1 2 337.445 1.293 20 30 EDEDLO CCS(=O)(=O)N1CC[N@@H+](CCOc2ccccc2C#N)[C@@H](C)C1 ZINC000347307501 445235549 /nfs/dbraw/zinc/23/55/49/445235549.db2.gz JOKVCMKCZZRYMQ-AWEZNQCLSA-N 1 2 337.445 1.293 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OC)c(OC)c2C)CC1 ZINC000347682499 445244751 /nfs/dbraw/zinc/24/47/51/445244751.db2.gz YFDPUDYJIVXIIG-UHFFFAOYSA-N 1 2 347.459 1.432 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(OC)c(OC)c2C)CC1 ZINC000347682499 445244753 /nfs/dbraw/zinc/24/47/53/445244753.db2.gz YFDPUDYJIVXIIG-UHFFFAOYSA-N 1 2 347.459 1.432 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N(Cc2ccc(N3CCCC3)[nH+]c2)C1=O ZINC000348472835 445303349 /nfs/dbraw/zinc/30/33/49/445303349.db2.gz FBRIKZLFEYMXKQ-AWEZNQCLSA-N 1 2 330.388 1.305 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N(Cc2ccccc2Cn2cc[nH+]c2)C1=O ZINC000348474754 445303506 /nfs/dbraw/zinc/30/35/06/445303506.db2.gz HSHKKHVWSNBDCO-INIZCTEOSA-N 1 2 340.383 1.554 20 30 EDEDLO CN(C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C)C(=O)c1ccc(C#N)[nH]1 ZINC000351928246 445381234 /nfs/dbraw/zinc/38/12/34/445381234.db2.gz GYESHSBIJWZIHW-TZMCWYRMSA-N 1 2 344.394 1.304 20 30 EDEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000354790221 445390360 /nfs/dbraw/zinc/39/03/60/445390360.db2.gz QFIHMJCVXJTYGK-UHFFFAOYSA-N 1 2 329.747 1.389 20 30 EDEDLO CCOC(=O)[C@@H]([NH2+]CCOc1cccc(C#N)c1)[C@@H]1CCCOC1 ZINC000359804362 445436880 /nfs/dbraw/zinc/43/68/80/445436880.db2.gz ZMQNQLPALIUKHC-WBVHZDCISA-N 1 2 332.400 1.885 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000362895132 445600484 /nfs/dbraw/zinc/60/04/84/445600484.db2.gz JCFBFZGISKEBIY-AWEZNQCLSA-N 1 2 337.445 1.528 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000362895132 445600486 /nfs/dbraw/zinc/60/04/86/445600486.db2.gz JCFBFZGISKEBIY-AWEZNQCLSA-N 1 2 337.445 1.528 20 30 EDEDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356083906 445609828 /nfs/dbraw/zinc/60/98/28/445609828.db2.gz KKNHJVLXHVZXDJ-GFCCVEGCSA-N 1 2 328.463 1.309 20 30 EDEDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356083906 445609831 /nfs/dbraw/zinc/60/98/31/445609831.db2.gz KKNHJVLXHVZXDJ-GFCCVEGCSA-N 1 2 328.463 1.309 20 30 EDEDLO N#CC1(CS(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000349626479 445627077 /nfs/dbraw/zinc/62/70/77/445627077.db2.gz NYUGPVVRCXSIDU-UHFFFAOYSA-N 1 2 330.413 1.986 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)nc1 ZINC000353671365 445702009 /nfs/dbraw/zinc/70/20/09/445702009.db2.gz AWDPHNXAGPXMPM-UHFFFAOYSA-N 1 2 347.382 1.955 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000363175756 445708225 /nfs/dbraw/zinc/70/82/25/445708225.db2.gz AOZAPADOCPVUET-UHTWSYAYSA-N 1 2 332.429 1.677 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000363175756 445708227 /nfs/dbraw/zinc/70/82/27/445708227.db2.gz AOZAPADOCPVUET-UHTWSYAYSA-N 1 2 332.429 1.677 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000360738167 445730506 /nfs/dbraw/zinc/73/05/06/445730506.db2.gz ZIGAAEFMKSNRHB-RISCZKNCSA-N 1 2 339.342 1.084 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000360738167 445730510 /nfs/dbraw/zinc/73/05/10/445730510.db2.gz ZIGAAEFMKSNRHB-RISCZKNCSA-N 1 2 339.342 1.084 20 30 EDEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000356614449 445887054 /nfs/dbraw/zinc/88/70/54/445887054.db2.gz FOMUYSAMNCYSBB-GDBMZVCRSA-N 1 2 345.353 1.745 20 30 EDEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000356614449 445887056 /nfs/dbraw/zinc/88/70/56/445887056.db2.gz FOMUYSAMNCYSBB-GDBMZVCRSA-N 1 2 345.353 1.745 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364323813 445911982 /nfs/dbraw/zinc/91/19/82/445911982.db2.gz JZNSNAASVZYZFL-XJKSGUPXSA-N 1 2 346.391 1.237 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364323813 445911988 /nfs/dbraw/zinc/91/19/88/445911988.db2.gz JZNSNAASVZYZFL-XJKSGUPXSA-N 1 2 346.391 1.237 20 30 EDEDLO CN(CC(=O)NCc1cccc(C#N)c1)Cc1cn2c([nH+]1)CCCC2 ZINC000372990729 445964139 /nfs/dbraw/zinc/96/41/39/445964139.db2.gz PHZOIGACWGLEKU-UHFFFAOYSA-N 1 2 337.427 1.839 20 30 EDEDLO CN1CC[C@H]([N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000364983346 445973428 /nfs/dbraw/zinc/97/34/28/445973428.db2.gz GUJZEHGBALPPEP-CVEARBPZSA-N 1 2 326.400 1.216 20 30 EDEDLO CN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000364983346 445973432 /nfs/dbraw/zinc/97/34/32/445973432.db2.gz GUJZEHGBALPPEP-CVEARBPZSA-N 1 2 326.400 1.216 20 30 EDEDLO N#CCSCCC[N@H+]1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000364693687 445947436 /nfs/dbraw/zinc/94/74/36/445947436.db2.gz DVFAXPMGOHVSJR-LBPRGKRZSA-N 1 2 335.433 1.746 20 30 EDEDLO N#CCSCCC[N@@H+]1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000364693687 445947439 /nfs/dbraw/zinc/94/74/39/445947439.db2.gz DVFAXPMGOHVSJR-LBPRGKRZSA-N 1 2 335.433 1.746 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000356704228 445951178 /nfs/dbraw/zinc/95/11/78/445951178.db2.gz RMWGCSOGFJBNIV-XJKCOSOUSA-N 1 2 341.477 1.410 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000356704228 445951183 /nfs/dbraw/zinc/95/11/83/445951183.db2.gz RMWGCSOGFJBNIV-XJKCOSOUSA-N 1 2 341.477 1.410 20 30 EDEDLO Cc1cc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)ccc1C#N ZINC000365228944 446089417 /nfs/dbraw/zinc/08/94/17/446089417.db2.gz MKYYDVNUKXRPDQ-CQSZACIVSA-N 1 2 330.413 1.778 20 30 EDEDLO CCc1nnc(C2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)[nH]1 ZINC000362071305 446192301 /nfs/dbraw/zinc/19/23/01/446192301.db2.gz ILLKQCYADLUPPO-MRXNPFEDSA-N 1 2 338.415 1.645 20 30 EDEDLO CCc1n[nH]c(C2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)n1 ZINC000362071305 446192305 /nfs/dbraw/zinc/19/23/05/446192305.db2.gz ILLKQCYADLUPPO-MRXNPFEDSA-N 1 2 338.415 1.645 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC000369796448 446155312 /nfs/dbraw/zinc/15/53/12/446155312.db2.gz NZIFDTBTYQUQQD-IRXDYDNUSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC000369796448 446155318 /nfs/dbraw/zinc/15/53/18/446155318.db2.gz NZIFDTBTYQUQQD-IRXDYDNUSA-N 1 2 333.476 1.487 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C(=O)OC)C(C)(C)C1 ZINC000370227161 446194434 /nfs/dbraw/zinc/19/44/34/446194434.db2.gz IFTSOCYFYCRTFC-CABCVRRESA-N 1 2 330.384 1.903 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C(=O)OC)C(C)(C)C1 ZINC000370227161 446194441 /nfs/dbraw/zinc/19/44/41/446194441.db2.gz IFTSOCYFYCRTFC-CABCVRRESA-N 1 2 330.384 1.903 20 30 EDEDLO COC(=O)C[C@@]1([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)CCOC1 ZINC000362270546 446296439 /nfs/dbraw/zinc/29/64/39/446296439.db2.gz PAHGHIHMTAASJP-KRWDZBQOSA-N 1 2 342.355 1.420 20 30 EDEDLO CCc1noc([C@@]2(O)CC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000366848632 446381018 /nfs/dbraw/zinc/38/10/18/446381018.db2.gz PVXZSDXORKCMJN-QGZVFWFLSA-N 1 2 341.371 1.036 20 30 EDEDLO CCc1noc([C@@]2(O)CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000366848632 446381024 /nfs/dbraw/zinc/38/10/24/446381024.db2.gz PVXZSDXORKCMJN-QGZVFWFLSA-N 1 2 341.371 1.036 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)NCC1([NH+]2CCOCC2)CCCC1 ZINC000366968366 446433077 /nfs/dbraw/zinc/43/30/77/446433077.db2.gz FCUJHZGAEHOGGN-UHFFFAOYSA-N 1 2 349.456 1.482 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1cc(C#N)ccc1F ZINC000376361464 446454248 /nfs/dbraw/zinc/45/42/48/446454248.db2.gz YEZHWVRJDHMLKQ-CZUORRHYSA-N 1 2 346.406 1.702 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1CCC(C#N)CC1 ZINC000376449386 446503156 /nfs/dbraw/zinc/50/31/56/446503156.db2.gz PHBUKVBRJIZJNL-VXLLPVPCSA-N 1 2 334.464 1.821 20 30 EDEDLO CC(C)OC[C@H](CO)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000433161866 446540356 /nfs/dbraw/zinc/54/03/56/446540356.db2.gz LASHQLISGNEZQZ-HNNXBMFYSA-N 1 2 330.388 1.826 20 30 EDEDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000433161866 446540364 /nfs/dbraw/zinc/54/03/64/446540364.db2.gz LASHQLISGNEZQZ-HNNXBMFYSA-N 1 2 330.388 1.826 20 30 EDEDLO C=CCNc1ncc(C(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000434501351 446649948 /nfs/dbraw/zinc/64/99/48/446649948.db2.gz GWDIZQKHOCBULF-GFCCVEGCSA-N 1 2 346.460 1.983 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCNC(=O)C[C@H]2C)c1C ZINC000371184682 446677975 /nfs/dbraw/zinc/67/79/75/446677975.db2.gz OXYCQDRGZZFDNO-OAHLLOKOSA-N 1 2 342.443 1.761 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCNC(=O)C[C@H]2C)c1C ZINC000371184682 446677983 /nfs/dbraw/zinc/67/79/83/446677983.db2.gz OXYCQDRGZZFDNO-OAHLLOKOSA-N 1 2 342.443 1.761 20 30 EDEDLO O=S1(=O)CCCN1C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000411839107 446691897 /nfs/dbraw/zinc/69/18/97/446691897.db2.gz ZFNMLHXEXFPNPI-UHFFFAOYSA-N 1 2 336.432 1.677 20 30 EDEDLO C#CCC(CC#C)C(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000376788893 446719095 /nfs/dbraw/zinc/71/90/95/446719095.db2.gz UCZOVDFYYLFOJM-UHFFFAOYSA-N 1 2 331.460 1.098 20 30 EDEDLO C#CCC(CC#C)C(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000376788893 446719101 /nfs/dbraw/zinc/71/91/01/446719101.db2.gz UCZOVDFYYLFOJM-UHFFFAOYSA-N 1 2 331.460 1.098 20 30 EDEDLO CN1CCO[C@@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000438626213 446795205 /nfs/dbraw/zinc/79/52/05/446795205.db2.gz NXUBLXUPZFLKBC-HZPDHXFCSA-N 1 2 340.345 1.952 20 30 EDEDLO CN1CCO[C@@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000438626213 446795209 /nfs/dbraw/zinc/79/52/09/446795209.db2.gz NXUBLXUPZFLKBC-HZPDHXFCSA-N 1 2 340.345 1.952 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000438626213 446795214 /nfs/dbraw/zinc/79/52/14/446795214.db2.gz NXUBLXUPZFLKBC-HZPDHXFCSA-N 1 2 340.345 1.952 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000438626213 446795219 /nfs/dbraw/zinc/79/52/19/446795219.db2.gz NXUBLXUPZFLKBC-HZPDHXFCSA-N 1 2 340.345 1.952 20 30 EDEDLO C=CCC[C@H](C)[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000437075587 446743435 /nfs/dbraw/zinc/74/34/35/446743435.db2.gz JJXKDPCRACEHPZ-NSHDSACASA-N 1 2 343.415 1.792 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C#N ZINC000439670341 446827490 /nfs/dbraw/zinc/82/74/90/446827490.db2.gz AUSXYCIVZLQBRW-ZYHUDNBSSA-N 1 2 334.445 1.935 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C#N ZINC000439670341 446827495 /nfs/dbraw/zinc/82/74/95/446827495.db2.gz AUSXYCIVZLQBRW-ZYHUDNBSSA-N 1 2 334.445 1.935 20 30 EDEDLO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCNC1=O ZINC000440960027 446859919 /nfs/dbraw/zinc/85/99/19/446859919.db2.gz QSTANXOVHCMUKM-QGZVFWFLSA-N 1 2 338.411 1.948 20 30 EDEDLO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCNC1=O ZINC000440960027 446859927 /nfs/dbraw/zinc/85/99/27/446859927.db2.gz QSTANXOVHCMUKM-QGZVFWFLSA-N 1 2 338.411 1.948 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000412133041 446874061 /nfs/dbraw/zinc/87/40/61/446874061.db2.gz QUQMEFDGGSTWSB-MJGOQNOKSA-N 1 2 345.418 1.946 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1)C1(C#N)CCCCC1 ZINC000375570189 446898437 /nfs/dbraw/zinc/89/84/37/446898437.db2.gz JUJHNBLBCZESOQ-KRWDZBQOSA-N 1 2 334.420 1.246 20 30 EDEDLO CN(C(=O)C[N@H+]1CCC[C@]2(CNC(=O)O2)C1)C1(C#N)CCCCC1 ZINC000375570189 446898442 /nfs/dbraw/zinc/89/84/42/446898442.db2.gz JUJHNBLBCZESOQ-KRWDZBQOSA-N 1 2 334.420 1.246 20 30 EDEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412373210 446948687 /nfs/dbraw/zinc/94/86/87/446948687.db2.gz RTFZSGNRKLCWJC-AWEZNQCLSA-N 1 2 347.415 1.261 20 30 EDEDLO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412373210 446948693 /nfs/dbraw/zinc/94/86/93/446948693.db2.gz RTFZSGNRKLCWJC-AWEZNQCLSA-N 1 2 347.415 1.261 20 30 EDEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000371782170 446964512 /nfs/dbraw/zinc/96/45/12/446964512.db2.gz UCBQMQOWDLFQDH-IPMKNSEASA-N 1 2 329.444 1.451 20 30 EDEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000425204436 447061667 /nfs/dbraw/zinc/06/16/67/447061667.db2.gz NFGKHBPGKBRBEG-UHFFFAOYSA-N 1 2 337.445 1.290 20 30 EDEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1 ZINC000425211684 447066107 /nfs/dbraw/zinc/06/61/07/447066107.db2.gz YQFTWBXVKGHEPV-UHFFFAOYSA-N 1 2 331.482 1.299 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(c2snc(Cl)c2C#N)C1 ZINC000372520928 447105485 /nfs/dbraw/zinc/10/54/85/447105485.db2.gz HREHMKUHZFLNIJ-SECBINFHSA-N 1 2 349.851 1.751 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(c2snc(Cl)c2C#N)C1 ZINC000372520928 447105490 /nfs/dbraw/zinc/10/54/90/447105490.db2.gz HREHMKUHZFLNIJ-SECBINFHSA-N 1 2 349.851 1.751 20 30 EDEDLO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)OC)C2)CCOCC1 ZINC000425319361 447113075 /nfs/dbraw/zinc/11/30/75/447113075.db2.gz VMKKYFUKZKYTAU-OAHLLOKOSA-N 1 2 338.448 1.361 20 30 EDEDLO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](CC(=O)OC)C2)CCOCC1 ZINC000425319361 447113081 /nfs/dbraw/zinc/11/30/81/447113081.db2.gz VMKKYFUKZKYTAU-OAHLLOKOSA-N 1 2 338.448 1.361 20 30 EDEDLO CC[C@H](OC1CCCC1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000413282412 447113997 /nfs/dbraw/zinc/11/39/97/447113997.db2.gz POAPZAUINTZJSM-KRWDZBQOSA-N 1 2 337.464 1.799 20 30 EDEDLO CC[C@@H](OC1CCCC1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000413282417 447114058 /nfs/dbraw/zinc/11/40/58/447114058.db2.gz POAPZAUINTZJSM-QGZVFWFLSA-N 1 2 337.464 1.799 20 30 EDEDLO CC[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000425379955 447131341 /nfs/dbraw/zinc/13/13/41/447131341.db2.gz DLLRMWIBMYQQDR-AWEZNQCLSA-N 1 2 328.416 1.242 20 30 EDEDLO C[C@@H]1C(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C(=O)N1c1ccc(F)cc1 ZINC000414113549 447276077 /nfs/dbraw/zinc/27/60/77/447276077.db2.gz RYQNKIXLLSDRNJ-IUODEOHRSA-N 1 2 348.378 1.189 20 30 EDEDLO C[C@@H]1C(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C(=O)N1c1ccc(F)cc1 ZINC000414113549 447276082 /nfs/dbraw/zinc/27/60/82/447276082.db2.gz RYQNKIXLLSDRNJ-IUODEOHRSA-N 1 2 348.378 1.189 20 30 EDEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000410561756 447696845 /nfs/dbraw/zinc/69/68/45/447696845.db2.gz JDTCOBYGTZFGBF-UHFFFAOYSA-N 1 2 333.476 1.888 20 30 EDEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451048670 447660543 /nfs/dbraw/zinc/66/05/43/447660543.db2.gz GFYSJPJAPNDNOE-UHFFFAOYSA-N 1 2 348.403 1.778 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451262914 447718630 /nfs/dbraw/zinc/71/86/30/447718630.db2.gz LLEKRYJDQJHPKG-JOQOYGCGSA-N 1 2 349.406 1.187 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451262914 447718637 /nfs/dbraw/zinc/71/86/37/447718637.db2.gz LLEKRYJDQJHPKG-JOQOYGCGSA-N 1 2 349.406 1.187 20 30 EDEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451358001 447727849 /nfs/dbraw/zinc/72/78/49/447727849.db2.gz FIRQELKSFMMYDY-VXGBXAGGSA-N 1 2 325.409 1.552 20 30 EDEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451358001 447727853 /nfs/dbraw/zinc/72/78/53/447727853.db2.gz FIRQELKSFMMYDY-VXGBXAGGSA-N 1 2 325.409 1.552 20 30 EDEDLO COC(=O)C[C@](C)([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccccn1 ZINC000429672189 447755172 /nfs/dbraw/zinc/75/51/72/447755172.db2.gz MVBRNDGPUCJVQY-ROUUACIJSA-N 1 2 344.415 1.258 20 30 EDEDLO COC(=O)C[C@](C)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccccn1 ZINC000429672191 447755428 /nfs/dbraw/zinc/75/54/28/447755428.db2.gz MVBRNDGPUCJVQY-ZWKOTPCHSA-N 1 2 344.415 1.258 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc4cc(C)ccn34)CC2)c1C#N ZINC000471799670 447813971 /nfs/dbraw/zinc/81/39/71/447813971.db2.gz RIUCJKFMBKFYLY-UHFFFAOYSA-N 1 2 349.442 1.879 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430282548 447769701 /nfs/dbraw/zinc/76/97/01/447769701.db2.gz FPNISMQOFICHRX-BCXHYRKLSA-N 1 2 343.427 1.743 20 30 EDEDLO C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430282548 447769705 /nfs/dbraw/zinc/76/97/05/447769705.db2.gz FPNISMQOFICHRX-BCXHYRKLSA-N 1 2 343.427 1.743 20 30 EDEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000451987827 447797571 /nfs/dbraw/zinc/79/75/71/447797571.db2.gz GTFWWUSGKJFKGQ-HNNXBMFYSA-N 1 2 329.404 1.232 20 30 EDEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000451987827 447797575 /nfs/dbraw/zinc/79/75/75/447797575.db2.gz GTFWWUSGKJFKGQ-HNNXBMFYSA-N 1 2 329.404 1.232 20 30 EDEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000451987836 447797895 /nfs/dbraw/zinc/79/78/95/447797895.db2.gz GTFWWUSGKJFKGQ-OAHLLOKOSA-N 1 2 329.404 1.232 20 30 EDEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000451987836 447797898 /nfs/dbraw/zinc/79/78/98/447797898.db2.gz GTFWWUSGKJFKGQ-OAHLLOKOSA-N 1 2 329.404 1.232 20 30 EDEDLO CC(C)[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1C ZINC000488058466 447841007 /nfs/dbraw/zinc/84/10/07/447841007.db2.gz ZGVDPFGMHFXACU-QGZVFWFLSA-N 1 2 335.473 1.604 20 30 EDEDLO CC(C)[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1C ZINC000488058466 447841009 /nfs/dbraw/zinc/84/10/09/447841009.db2.gz ZGVDPFGMHFXACU-QGZVFWFLSA-N 1 2 335.473 1.604 20 30 EDEDLO CCc1ccc([C@H](C#N)NC(=O)C[N@H+](C)CC(=O)NC(C)C)cc1 ZINC000489966601 447882388 /nfs/dbraw/zinc/88/23/88/447882388.db2.gz PVUZATUZRIMNBX-INIZCTEOSA-N 1 2 330.432 1.386 20 30 EDEDLO CCc1ccc([C@H](C#N)NC(=O)C[N@@H+](C)CC(=O)NC(C)C)cc1 ZINC000489966601 447882393 /nfs/dbraw/zinc/88/23/93/447882393.db2.gz PVUZATUZRIMNBX-INIZCTEOSA-N 1 2 330.432 1.386 20 30 EDEDLO C#CC[N@@H+](CC#CC)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000490841114 447898903 /nfs/dbraw/zinc/89/89/03/447898903.db2.gz RUPAZOATPXCRDS-UHFFFAOYSA-N 1 2 344.212 1.916 20 30 EDEDLO C#CC[N@H+](CC#CC)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000490841114 447898906 /nfs/dbraw/zinc/89/89/06/447898906.db2.gz RUPAZOATPXCRDS-UHFFFAOYSA-N 1 2 344.212 1.916 20 30 EDEDLO C#CC[N@@H+](CC#CC)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000490842142 447899095 /nfs/dbraw/zinc/89/90/95/447899095.db2.gz ZHOXBXUEYSOOCG-UHFFFAOYSA-N 1 2 341.367 1.064 20 30 EDEDLO C#CC[N@H+](CC#CC)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000490842142 447899096 /nfs/dbraw/zinc/89/90/96/447899096.db2.gz ZHOXBXUEYSOOCG-UHFFFAOYSA-N 1 2 341.367 1.064 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000491200708 447952468 /nfs/dbraw/zinc/95/24/68/447952468.db2.gz BZSVJRLGBUKZIF-UHFFFAOYSA-N 1 2 338.411 1.622 20 30 EDEDLO C=C(C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496859481 447977855 /nfs/dbraw/zinc/97/78/55/447977855.db2.gz SOVZQMZTBMDFTB-AWEZNQCLSA-N 1 2 340.468 1.803 20 30 EDEDLO C=C(C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496859481 447977860 /nfs/dbraw/zinc/97/78/60/447977860.db2.gz SOVZQMZTBMDFTB-AWEZNQCLSA-N 1 2 340.468 1.803 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3OCC[C@@H]3C)n2CC(=C)C)CC1 ZINC000491396622 448013668 /nfs/dbraw/zinc/01/36/68/448013668.db2.gz YYUHAKDDUVMUMG-JKSUJKDBSA-N 1 2 329.448 1.707 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc([C@@H]3CCOC3)cc2)CC1 ZINC000491314137 447991695 /nfs/dbraw/zinc/99/16/95/447991695.db2.gz CWPBHZCAJMVRPJ-QGZVFWFLSA-N 1 2 328.412 1.347 20 30 EDEDLO C#C[C@@H](NC(=O)C[N@@H+](C)CC(=O)NC(C)C)c1ccc(Cl)cc1 ZINC000491416697 448020807 /nfs/dbraw/zinc/02/08/07/448020807.db2.gz LCEZMTOSSPADGM-OAHLLOKOSA-N 1 2 335.835 1.587 20 30 EDEDLO C#C[C@@H](NC(=O)C[N@H+](C)CC(=O)NC(C)C)c1ccc(Cl)cc1 ZINC000491416697 448020808 /nfs/dbraw/zinc/02/08/08/448020808.db2.gz LCEZMTOSSPADGM-OAHLLOKOSA-N 1 2 335.835 1.587 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000555482755 448078011 /nfs/dbraw/zinc/07/80/11/448078011.db2.gz JURRMJKDDJMWOS-SJLPKXTDSA-N 1 2 331.416 1.818 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)C(=O)NCCCCC#N)c1ccccc1 ZINC000555802034 448090742 /nfs/dbraw/zinc/09/07/42/448090742.db2.gz JRMOVJUTJJBGND-OAHLLOKOSA-N 1 2 339.399 1.436 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000491781995 448121089 /nfs/dbraw/zinc/12/10/89/448121089.db2.gz MOTWODXRESASRQ-AWEZNQCLSA-N 1 2 348.468 1.613 20 30 EDEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527135579 448168800 /nfs/dbraw/zinc/16/88/00/448168800.db2.gz RCDMFFFSIDFWLU-JKSUJKDBSA-N 1 2 347.459 1.993 20 30 EDEDLO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527135579 448168801 /nfs/dbraw/zinc/16/88/01/448168801.db2.gz RCDMFFFSIDFWLU-JKSUJKDBSA-N 1 2 347.459 1.993 20 30 EDEDLO CSc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1NC(C)=O ZINC000565051410 448352980 /nfs/dbraw/zinc/35/29/80/448352980.db2.gz NKLRXYGOHWTGTB-MRXNPFEDSA-N 1 2 334.445 1.941 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC(=O)CC23CCC3)CC1 ZINC000582854377 448360928 /nfs/dbraw/zinc/36/09/28/448360928.db2.gz NGNXWXKGTFNNHK-KRWDZBQOSA-N 1 2 346.475 1.266 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC(=O)CC23CCC3)CC1 ZINC000582854377 448360936 /nfs/dbraw/zinc/36/09/36/448360936.db2.gz NGNXWXKGTFNNHK-KRWDZBQOSA-N 1 2 346.475 1.266 20 30 EDEDLO COc1cccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c1 ZINC000582757812 448328159 /nfs/dbraw/zinc/32/81/59/448328159.db2.gz OOKWQRVCOQKJHY-UHFFFAOYSA-N 1 2 339.395 1.609 20 30 EDEDLO C=CCCCS(=O)(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000583443931 448435061 /nfs/dbraw/zinc/43/50/61/448435061.db2.gz HOYNTIWARWTHKC-UHFFFAOYSA-N 1 2 337.449 1.415 20 30 EDEDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000583468431 448436321 /nfs/dbraw/zinc/43/63/21/448436321.db2.gz VEJKLWOSEJTXOF-UHFFFAOYSA-N 1 2 329.466 1.053 20 30 EDEDLO C[N@@H+]1CCN(C(=O)CC(C)(C)C#N)C[C@@H]1CNC(=O)CC(C)(C)C#N ZINC000566365163 448455413 /nfs/dbraw/zinc/45/54/13/448455413.db2.gz HOHNHWSVLIWBEK-AWEZNQCLSA-N 1 2 347.463 1.125 20 30 EDEDLO C[N@H+]1CCN(C(=O)CC(C)(C)C#N)C[C@@H]1CNC(=O)CC(C)(C)C#N ZINC000566365163 448455418 /nfs/dbraw/zinc/45/54/18/448455418.db2.gz HOHNHWSVLIWBEK-AWEZNQCLSA-N 1 2 347.463 1.125 20 30 EDEDLO COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@H](C#N)CCC#N)C2=O)c1 ZINC000583969486 448466798 /nfs/dbraw/zinc/46/67/98/448466798.db2.gz RADZZEZNOZTBQJ-GUYCJALGSA-N 1 2 342.399 1.842 20 30 EDEDLO N#Cc1cccc(C2(C(=O)NCC3([NH+]4CCOCC4)CC3)CC2)c1 ZINC000572830147 448472267 /nfs/dbraw/zinc/47/22/67/448472267.db2.gz JSAIHQMTOHJXQS-UHFFFAOYSA-N 1 2 325.412 1.571 20 30 EDEDLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000528537747 448576394 /nfs/dbraw/zinc/57/63/94/448576394.db2.gz OURDNVKERPFYLX-UHFFFAOYSA-N 1 2 349.456 1.434 20 30 EDEDLO C[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[S@@]1=O ZINC000528471721 448541231 /nfs/dbraw/zinc/54/12/31/448541231.db2.gz BIXKMWMPABIKSG-SHACYNPGSA-N 1 2 344.436 1.129 20 30 EDEDLO C[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CC[S@@]1=O ZINC000528471721 448541236 /nfs/dbraw/zinc/54/12/36/448541236.db2.gz BIXKMWMPABIKSG-SHACYNPGSA-N 1 2 344.436 1.129 20 30 EDEDLO N#CC[C@@]1(O)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000591973986 448606631 /nfs/dbraw/zinc/60/66/31/448606631.db2.gz FRDAPMIPDOANKS-QGZVFWFLSA-N 1 2 346.387 1.282 20 30 EDEDLO C[C@@]1(C(F)F)C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528560606 448588310 /nfs/dbraw/zinc/58/83/10/448588310.db2.gz LUUYTQBAGVMSFU-CJNGLKHVSA-N 1 2 326.343 1.654 20 30 EDEDLO C[C@@]1(C(F)F)C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528560606 448588314 /nfs/dbraw/zinc/58/83/14/448588314.db2.gz LUUYTQBAGVMSFU-CJNGLKHVSA-N 1 2 326.343 1.654 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C[C@H]21 ZINC000573332363 448602137 /nfs/dbraw/zinc/60/21/37/448602137.db2.gz XRFWWMQUQBLTOH-IAGOWNOFSA-N 1 2 325.412 1.521 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C[C@H]21 ZINC000573332363 448602140 /nfs/dbraw/zinc/60/21/40/448602140.db2.gz XRFWWMQUQBLTOH-IAGOWNOFSA-N 1 2 325.412 1.521 20 30 EDEDLO COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1OC ZINC000592146760 448708049 /nfs/dbraw/zinc/70/80/49/448708049.db2.gz FUYVWTSZELTSHO-SFHVURJKSA-N 1 2 347.415 1.013 20 30 EDEDLO COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1OC ZINC000592146760 448708051 /nfs/dbraw/zinc/70/80/51/448708051.db2.gz FUYVWTSZELTSHO-SFHVURJKSA-N 1 2 347.415 1.013 20 30 EDEDLO COc1ccc(-c2noc(C[N@@H+]3CC[C@@](O)(CC#N)C3)n2)c(OC)c1 ZINC000592148500 448708320 /nfs/dbraw/zinc/70/83/20/448708320.db2.gz ZFVCNSMUHIUQPI-KRWDZBQOSA-N 1 2 344.371 1.604 20 30 EDEDLO COc1ccc(-c2noc(C[N@H+]3CC[C@@](O)(CC#N)C3)n2)c(OC)c1 ZINC000592148500 448708325 /nfs/dbraw/zinc/70/83/25/448708325.db2.gz ZFVCNSMUHIUQPI-KRWDZBQOSA-N 1 2 344.371 1.604 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000592148414 448709502 /nfs/dbraw/zinc/70/95/02/448709502.db2.gz YHINNGICMIDSHK-INIZCTEOSA-N 1 2 339.342 1.255 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000592148414 448709506 /nfs/dbraw/zinc/70/95/06/448709506.db2.gz YHINNGICMIDSHK-INIZCTEOSA-N 1 2 339.342 1.255 20 30 EDEDLO CC1(C#N)CC[NH+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000543716951 448744543 /nfs/dbraw/zinc/74/45/43/448744543.db2.gz OIHBFYZEBNHUSY-CQSZACIVSA-N 1 2 342.355 1.852 20 30 EDEDLO COc1ccccc1N1C(=O)C[C@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000543718004 448744805 /nfs/dbraw/zinc/74/48/05/448744805.db2.gz QIGLAQAGYZIXOZ-AWEZNQCLSA-N 1 2 327.384 1.953 20 30 EDEDLO COCc1ccc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1C#N ZINC000529213745 448792068 /nfs/dbraw/zinc/79/20/68/448792068.db2.gz PWQGMGJAWWITBH-KGLIPLIRSA-N 1 2 346.431 1.935 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000546711514 448845496 /nfs/dbraw/zinc/84/54/96/448845496.db2.gz MUAAPOCMJXQWHD-UHFFFAOYSA-N 1 2 332.404 1.799 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000546711514 448845497 /nfs/dbraw/zinc/84/54/97/448845497.db2.gz MUAAPOCMJXQWHD-UHFFFAOYSA-N 1 2 332.404 1.799 20 30 EDEDLO C[C@@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000587674385 448840200 /nfs/dbraw/zinc/84/02/00/448840200.db2.gz MJEKVQUBOZXLHJ-CQSZACIVSA-N 1 2 339.399 1.481 20 30 EDEDLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(C#N)o3)[nH+]c12 ZINC000588117359 448873284 /nfs/dbraw/zinc/87/32/84/448873284.db2.gz AXELJTNVXGSEKD-UHFFFAOYSA-N 1 2 330.369 1.628 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000520680581 448921976 /nfs/dbraw/zinc/92/19/76/448921976.db2.gz UNVBPWYBXDGSEV-UHFFFAOYSA-N 1 2 340.387 1.640 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000574504226 448887499 /nfs/dbraw/zinc/88/74/99/448887499.db2.gz BQUCKPQPXVUKGY-UHFFFAOYSA-N 1 2 346.328 1.992 20 30 EDEDLO COC(=O)[C@H]([NH2+]CCC(=O)N(C)CCC#N)[C@H]1CCC[C@H](OC)C1 ZINC000575127942 449043551 /nfs/dbraw/zinc/04/35/51/449043551.db2.gz VRDNZCOWECLPQR-OFQRWUPVSA-N 1 2 339.436 1.085 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590146091 449111903 /nfs/dbraw/zinc/11/19/03/449111903.db2.gz QNUOYVYQYNUGII-HNNXBMFYSA-N 1 2 332.448 1.225 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(=O)OC(C)(C)C)nc1 ZINC000593153451 449153884 /nfs/dbraw/zinc/15/38/84/449153884.db2.gz RGTVFEHTXXWKRJ-KRWDZBQOSA-N 1 2 332.404 1.611 20 30 EDEDLO C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCN1S(C)(=O)=O ZINC000595763370 449154172 /nfs/dbraw/zinc/15/41/72/449154172.db2.gz QILMDKMYNNVWSN-CQSZACIVSA-N 1 2 337.445 1.293 20 30 EDEDLO C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCN1S(C)(=O)=O ZINC000595763370 449154175 /nfs/dbraw/zinc/15/41/75/449154175.db2.gz QILMDKMYNNVWSN-CQSZACIVSA-N 1 2 337.445 1.293 20 30 EDEDLO Cn1c[nH+]c(CCNC(=O)Cc2ccc(Br)cc2C#N)c1 ZINC000593171889 449157704 /nfs/dbraw/zinc/15/77/04/449157704.db2.gz ZPFKLRRRJGFVCD-UHFFFAOYSA-N 1 2 347.216 1.956 20 30 EDEDLO CN1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCC1=O ZINC000595783741 449163485 /nfs/dbraw/zinc/16/34/85/449163485.db2.gz QZBULRUNPOYLFS-UHFFFAOYSA-N 1 2 348.834 1.751 20 30 EDEDLO CN1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCC1=O ZINC000595783741 449163487 /nfs/dbraw/zinc/16/34/87/449163487.db2.gz QZBULRUNPOYLFS-UHFFFAOYSA-N 1 2 348.834 1.751 20 30 EDEDLO C=CCCSCCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000597971414 449169521 /nfs/dbraw/zinc/16/95/21/449169521.db2.gz ZAUBJXCVSKBJNJ-UHFFFAOYSA-N 1 2 335.473 1.953 20 30 EDEDLO CN1CCCC[C@H]([N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)C1=O ZINC000601969158 449251676 /nfs/dbraw/zinc/25/16/76/449251676.db2.gz JPQFXVFHNWCHBR-UONOGXRCSA-N 1 2 346.456 1.668 20 30 EDEDLO CN1CCCC[C@H]([N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)C1=O ZINC000601969158 449251679 /nfs/dbraw/zinc/25/16/79/449251679.db2.gz JPQFXVFHNWCHBR-UONOGXRCSA-N 1 2 346.456 1.668 20 30 EDEDLO COC(=O)[C@@H]1C[C@H]1c1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000601970326 449253473 /nfs/dbraw/zinc/25/34/73/449253473.db2.gz WCIOTNBOOUXUFQ-YESZJQIVSA-N 1 2 331.416 1.581 20 30 EDEDLO COC(=O)[C@@H]1C[C@H]1c1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000601970326 449253479 /nfs/dbraw/zinc/25/34/79/449253479.db2.gz WCIOTNBOOUXUFQ-YESZJQIVSA-N 1 2 331.416 1.581 20 30 EDEDLO CC[C@H](C#N)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000593395284 449261804 /nfs/dbraw/zinc/26/18/04/449261804.db2.gz RZAONGZMNXGHTL-CQSZACIVSA-N 1 2 328.416 1.755 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnn4c3CCC4)CC2)cc1 ZINC000590616375 449223649 /nfs/dbraw/zinc/22/36/49/449223649.db2.gz KYLVVDYSBIJXNO-UHFFFAOYSA-N 1 2 335.411 1.659 20 30 EDEDLO CC1(C)COC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000590836780 449314615 /nfs/dbraw/zinc/31/46/15/449314615.db2.gz OGZJRAHSRNOLOC-QGZVFWFLSA-N 1 2 342.443 1.810 20 30 EDEDLO CCc1nc(C#N)cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000596057166 449340402 /nfs/dbraw/zinc/34/04/02/449340402.db2.gz ISGBEZFILBUMLR-CQSZACIVSA-N 1 2 343.456 2.458 20 30 EDEDLO CCc1nc(C#N)cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)n1 ZINC000596070407 449347437 /nfs/dbraw/zinc/34/74/37/449347437.db2.gz BBUXWRZWIRTYEO-KRWDZBQOSA-N 1 2 337.427 2.396 20 30 EDEDLO N#Cc1ccccc1OCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598343073 449358336 /nfs/dbraw/zinc/35/83/36/449358336.db2.gz QMMXCOVUGVYXCV-UHFFFAOYSA-N 1 2 343.427 1.508 20 30 EDEDLO CCN(C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C#N ZINC000598360561 449363004 /nfs/dbraw/zinc/36/30/04/449363004.db2.gz XKERTPAJJGGCLD-HNNXBMFYSA-N 1 2 343.431 1.271 20 30 EDEDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccsc2C#N)C1 ZINC000593532049 449329454 /nfs/dbraw/zinc/32/94/54/449329454.db2.gz SHPFQLVKPUYZED-LBPRGKRZSA-N 1 2 343.474 1.255 20 30 EDEDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccsc2C#N)C1 ZINC000593532049 449329456 /nfs/dbraw/zinc/32/94/56/449329456.db2.gz SHPFQLVKPUYZED-LBPRGKRZSA-N 1 2 343.474 1.255 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc2c(c1)OC(F)(F)O2 ZINC000594024568 449330612 /nfs/dbraw/zinc/33/06/12/449330612.db2.gz PUZFSEWLNQDNNH-HNNXBMFYSA-N 1 2 339.342 1.901 20 30 EDEDLO CC(C)(C)n1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000594258473 449415705 /nfs/dbraw/zinc/41/57/05/449415705.db2.gz PEKHUSFBZZDOEQ-UHFFFAOYSA-N 1 2 333.436 1.326 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000602372687 449548084 /nfs/dbraw/zinc/54/80/84/449548084.db2.gz MUPXHXJUNRYNAY-QGZVFWFLSA-N 1 2 328.416 1.586 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000602372687 449548093 /nfs/dbraw/zinc/54/80/93/449548093.db2.gz MUPXHXJUNRYNAY-QGZVFWFLSA-N 1 2 328.416 1.586 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1[C@@H](c1nccn1C)C1CC1 ZINC000602482327 449625044 /nfs/dbraw/zinc/62/50/44/449625044.db2.gz DZKVXPJBORNAID-CZUORRHYSA-N 1 2 337.431 1.744 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1[C@@H](c1nccn1C)C1CC1 ZINC000602482327 449625051 /nfs/dbraw/zinc/62/50/51/449625051.db2.gz DZKVXPJBORNAID-CZUORRHYSA-N 1 2 337.431 1.744 20 30 EDEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000607633308 449627612 /nfs/dbraw/zinc/62/76/12/449627612.db2.gz KQCZMIRQOZZEEL-MRXNPFEDSA-N 1 2 331.460 1.812 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000607633308 449627618 /nfs/dbraw/zinc/62/76/18/449627618.db2.gz KQCZMIRQOZZEEL-MRXNPFEDSA-N 1 2 331.460 1.812 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCc4cnc(N)nc4C3)C2=O)cc1 ZINC000598949688 449665170 /nfs/dbraw/zinc/66/51/70/449665170.db2.gz MIMJASYSCRLXSY-QGZVFWFLSA-N 1 2 348.410 1.484 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCc4cnc(N)nc4C3)C2=O)cc1 ZINC000598949688 449665176 /nfs/dbraw/zinc/66/51/76/449665176.db2.gz MIMJASYSCRLXSY-QGZVFWFLSA-N 1 2 348.410 1.484 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(C#N)ccc1Br ZINC000601069500 449679266 /nfs/dbraw/zinc/67/92/66/449679266.db2.gz MKIIFNMWKUWDTI-LBPRGKRZSA-N 1 2 338.205 1.906 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(C#N)ccc1Br ZINC000601069500 449679275 /nfs/dbraw/zinc/67/92/75/449679275.db2.gz MKIIFNMWKUWDTI-LBPRGKRZSA-N 1 2 338.205 1.906 20 30 EDEDLO COc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc(OC)c1OCC(N)=O ZINC000612406416 449682647 /nfs/dbraw/zinc/68/26/47/449682647.db2.gz LPCQSQNPXVNNRC-SFHVURJKSA-N 1 2 347.415 1.694 20 30 EDEDLO COc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc(OC)c1OCC(N)=O ZINC000612406416 449682651 /nfs/dbraw/zinc/68/26/51/449682651.db2.gz LPCQSQNPXVNNRC-SFHVURJKSA-N 1 2 347.415 1.694 20 30 EDEDLO N#Cc1nc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)ccc1Cl ZINC000599183477 449783829 /nfs/dbraw/zinc/78/38/29/449783829.db2.gz PCEKSWLQBDRZDG-AWEZNQCLSA-N 1 2 343.818 2.315 20 30 EDEDLO N#Cc1nc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)ccc1Cl ZINC000599183477 449783834 /nfs/dbraw/zinc/78/38/34/449783834.db2.gz PCEKSWLQBDRZDG-AWEZNQCLSA-N 1 2 343.818 2.315 20 30 EDEDLO CCc1cnc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)o1 ZINC000594902290 449800991 /nfs/dbraw/zinc/80/09/91/449800991.db2.gz WHCYXKUVGBELNZ-UHFFFAOYSA-N 1 2 328.372 1.151 20 30 EDEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857521 449865963 /nfs/dbraw/zinc/86/59/63/449865963.db2.gz RYQIHUKZMZSTGL-LVQVYYBASA-N 1 2 349.479 1.309 20 30 EDEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857521 449865971 /nfs/dbraw/zinc/86/59/71/449865971.db2.gz RYQIHUKZMZSTGL-LVQVYYBASA-N 1 2 349.479 1.309 20 30 EDEDLO C[N@@H+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C(C)(C)C ZINC000602874167 449883162 /nfs/dbraw/zinc/88/31/62/449883162.db2.gz ORQPRMLRVFKSLP-KRWDZBQOSA-N 1 2 349.500 1.994 20 30 EDEDLO C[N@H+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C(C)(C)C ZINC000602874167 449883165 /nfs/dbraw/zinc/88/31/65/449883165.db2.gz ORQPRMLRVFKSLP-KRWDZBQOSA-N 1 2 349.500 1.994 20 30 EDEDLO CCNC(=O)COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1OC ZINC000597228932 449884472 /nfs/dbraw/zinc/88/44/72/449884472.db2.gz ISNDZKDNMJRDKQ-GOSISDBHSA-N 1 2 331.416 1.946 20 30 EDEDLO CCNC(=O)COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1OC ZINC000597228932 449884478 /nfs/dbraw/zinc/88/44/78/449884478.db2.gz ISNDZKDNMJRDKQ-GOSISDBHSA-N 1 2 331.416 1.946 20 30 EDEDLO COC(=O)C(C)(C)[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599325392 449893224 /nfs/dbraw/zinc/89/32/24/449893224.db2.gz DNPVPZUANWGCJA-UHFFFAOYSA-N 1 2 328.368 1.169 20 30 EDEDLO COC(=O)C(C)(C)[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000599325392 449893229 /nfs/dbraw/zinc/89/32/29/449893229.db2.gz DNPVPZUANWGCJA-UHFFFAOYSA-N 1 2 328.368 1.169 20 30 EDEDLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000602898089 449905906 /nfs/dbraw/zinc/90/59/06/449905906.db2.gz LAYMQKZSMKCVFG-KBPBESRZSA-N 1 2 325.206 1.638 20 30 EDEDLO C[C@@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000602898089 449905911 /nfs/dbraw/zinc/90/59/11/449905911.db2.gz LAYMQKZSMKCVFG-KBPBESRZSA-N 1 2 325.206 1.638 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000602987596 449984211 /nfs/dbraw/zinc/98/42/11/449984211.db2.gz LKSJUTUCVUGVPD-WCQYABFASA-N 1 2 327.306 1.599 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000602987596 449984217 /nfs/dbraw/zinc/98/42/17/449984217.db2.gz LKSJUTUCVUGVPD-WCQYABFASA-N 1 2 327.306 1.599 20 30 EDEDLO CCN(CCC#N)C(=O)CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603007119 450003201 /nfs/dbraw/zinc/00/32/01/450003201.db2.gz YSDFQJCZMOEQCP-UHFFFAOYSA-N 1 2 330.432 1.272 20 30 EDEDLO C[C@](C#N)(NC(=O)CN1CC[NH+](Cc2ccc(O)cc2)CC1)C1CC1 ZINC000603007106 450003488 /nfs/dbraw/zinc/00/34/88/450003488.db2.gz YFMFBIHGTOMTEK-LJQANCHMSA-N 1 2 342.443 1.318 20 30 EDEDLO COCCOc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cn1 ZINC000609676487 450083927 /nfs/dbraw/zinc/08/39/27/450083927.db2.gz GJZZGMWYQBFOLX-KRWDZBQOSA-N 1 2 340.383 1.295 20 30 EDEDLO Cn1cc[nH+]c1C[C@@H](NS(=O)(=O)CCCC#N)c1ccccc1 ZINC000610268883 450175929 /nfs/dbraw/zinc/17/59/29/450175929.db2.gz NCWRNDJWBWUMGQ-OAHLLOKOSA-N 1 2 332.429 1.927 20 30 EDEDLO N#C[C@@]1(F)CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000601648958 450140573 /nfs/dbraw/zinc/14/05/73/450140573.db2.gz VIOASUGAYCJQPT-INIZCTEOSA-N 1 2 349.435 1.782 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595522370 450205419 /nfs/dbraw/zinc/20/54/19/450205419.db2.gz ASOKXKMCUVPYPA-INIZCTEOSA-N 1 2 326.404 1.588 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595522370 450205423 /nfs/dbraw/zinc/20/54/23/450205423.db2.gz ASOKXKMCUVPYPA-INIZCTEOSA-N 1 2 326.404 1.588 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)n1 ZINC000610562843 450262279 /nfs/dbraw/zinc/26/22/79/450262279.db2.gz IQJYLEDGSKSBRC-UHFFFAOYSA-N 1 2 335.371 1.858 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619759495 450327595 /nfs/dbraw/zinc/32/75/95/450327595.db2.gz NWAPJJFTKCKBHU-LBPRGKRZSA-N 1 2 336.823 1.732 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619759495 450327603 /nfs/dbraw/zinc/32/76/03/450327603.db2.gz NWAPJJFTKCKBHU-LBPRGKRZSA-N 1 2 336.823 1.732 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619757825 450327812 /nfs/dbraw/zinc/32/78/12/450327812.db2.gz IVBCXDNRJIUZER-AWEZNQCLSA-N 1 2 335.839 1.257 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619757825 450327818 /nfs/dbraw/zinc/32/78/18/450327818.db2.gz IVBCXDNRJIUZER-AWEZNQCLSA-N 1 2 335.839 1.257 20 30 EDEDLO Cn1cccc1C(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000603683909 450341132 /nfs/dbraw/zinc/34/11/32/450341132.db2.gz LWYBIDNKNUVFAN-UHFFFAOYSA-N 1 2 338.411 1.734 20 30 EDEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629441739 450688530 /nfs/dbraw/zinc/68/85/30/450688530.db2.gz TWWJYZNPNQAUJI-NVXWUHKLSA-N 1 2 333.432 1.380 20 30 EDEDLO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629441739 450688534 /nfs/dbraw/zinc/68/85/34/450688534.db2.gz TWWJYZNPNQAUJI-NVXWUHKLSA-N 1 2 333.432 1.380 20 30 EDEDLO C=C(C)C[C@H]1NC(=O)N(Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1=O ZINC000630966638 451513189 /nfs/dbraw/zinc/51/31/89/451513189.db2.gz HRIGAVMGGCSHMZ-UKRRQHHQSA-N 1 2 344.415 1.693 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nn1 ZINC000640802026 451595704 /nfs/dbraw/zinc/59/57/04/451595704.db2.gz BHMPDYYDLNFYRI-GJZGRUSLSA-N 1 2 337.427 1.930 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2c3ccccc3CC[C@H]2C)nn1 ZINC000640895904 451679471 /nfs/dbraw/zinc/67/94/71/451679471.db2.gz AOTYBPJWSLOYIU-OAHLLOKOSA-N 1 2 337.427 1.759 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000637680933 452016407 /nfs/dbraw/zinc/01/64/07/452016407.db2.gz BGZCFRLAFWOZQO-OAHLLOKOSA-N 1 2 348.472 1.208 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000645127733 452167168 /nfs/dbraw/zinc/16/71/68/452167168.db2.gz JSZMBHSVXGUBKP-GOSISDBHSA-N 1 2 345.443 1.092 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000645134009 452170059 /nfs/dbraw/zinc/17/00/59/452170059.db2.gz RYMGTGOPNHTRCZ-QZTJIDSGSA-N 1 2 345.443 1.133 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nn1 ZINC000657601036 452373256 /nfs/dbraw/zinc/37/32/56/452373256.db2.gz GSIBGBDTSXPRAN-CQSZACIVSA-N 1 2 341.415 1.758 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000665795186 452374206 /nfs/dbraw/zinc/37/42/06/452374206.db2.gz KMFWMGAWCQPZSW-INIZCTEOSA-N 1 2 346.431 1.005 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651332207 453477349 /nfs/dbraw/zinc/47/73/49/453477349.db2.gz PSYROIKMXSFESM-IRXDYDNUSA-N 1 2 340.427 1.777 20 30 EDEDLO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329740430 485551316 /nfs/dbraw/zinc/55/13/16/485551316.db2.gz VJESRDHDUICEFX-JONQDZQNSA-N 1 2 325.453 1.366 20 30 EDEDLO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329740430 485551323 /nfs/dbraw/zinc/55/13/23/485551323.db2.gz VJESRDHDUICEFX-JONQDZQNSA-N 1 2 325.453 1.366 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000275522291 534617662 /nfs/dbraw/zinc/61/76/62/534617662.db2.gz WTFYUOVFOFJHMN-SFHVURJKSA-N 1 2 333.432 1.763 20 30 EDEDLO N#CCCn1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000130046159 534659029 /nfs/dbraw/zinc/65/90/29/534659029.db2.gz HMBFGWNOLYJKJU-AWEZNQCLSA-N 1 2 332.408 1.125 20 30 EDEDLO C=CC[N@@H+](CCC(=O)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000135187241 526271906 /nfs/dbraw/zinc/27/19/06/526271906.db2.gz FOEKCSBZKPCRRM-INIZCTEOSA-N 1 2 336.457 1.715 20 30 EDEDLO C=CC[N@H+](CCC(=O)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000135187241 526271911 /nfs/dbraw/zinc/27/19/11/526271911.db2.gz FOEKCSBZKPCRRM-INIZCTEOSA-N 1 2 336.457 1.715 20 30 EDEDLO CC#CCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000135262897 526375314 /nfs/dbraw/zinc/37/53/14/526375314.db2.gz KOBXTMHNLFEEJB-UHFFFAOYSA-N 1 2 331.416 1.220 20 30 EDEDLO C=C(C)COCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000134991244 526643585 /nfs/dbraw/zinc/64/35/85/526643585.db2.gz AVIKWSSJMPTYHA-SFHVURJKSA-N 1 2 347.459 1.952 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000124209878 527017595 /nfs/dbraw/zinc/01/75/95/527017595.db2.gz AUZPUHIRLSTGED-MRXNPFEDSA-N 1 2 327.428 1.281 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000124209878 527017601 /nfs/dbraw/zinc/01/76/01/527017601.db2.gz AUZPUHIRLSTGED-MRXNPFEDSA-N 1 2 327.428 1.281 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174326137 527022559 /nfs/dbraw/zinc/02/25/59/527022559.db2.gz ULCHFDCVBDRISW-VXGBXAGGSA-N 1 2 328.372 1.534 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000183668367 527091702 /nfs/dbraw/zinc/09/17/02/527091702.db2.gz FFDYVZHOKBQMCT-INIZCTEOSA-N 1 2 328.416 1.862 20 30 EDEDLO C=CC[C@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000190157704 527118876 /nfs/dbraw/zinc/11/88/76/527118876.db2.gz YJTDMKVKJFVPPW-ROUUACIJSA-N 1 2 332.444 1.498 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000154913072 527391208 /nfs/dbraw/zinc/39/12/08/527391208.db2.gz PKDQOUJHVAOMNR-HZPDHXFCSA-N 1 2 337.464 1.123 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2nc(C)ns2)CC1 ZINC000177842319 527626428 /nfs/dbraw/zinc/62/64/28/527626428.db2.gz AFEPVSPWZPHBBR-CYBMUJFWSA-N 1 2 335.477 1.558 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554329 528360352 /nfs/dbraw/zinc/36/03/52/528360352.db2.gz UHANFCYPBSXNBD-UHFFFAOYSA-N 1 2 325.416 1.442 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000741749093 579427104 /nfs/dbraw/zinc/42/71/04/579427104.db2.gz NGCKXCPXQCKXFO-QHCPKHFHSA-N 1 2 346.378 1.473 20 30 EDEDLO Cn1ccc(N2CCC[C@@H](O[NH+]=C(N)c3ccc(F)cc3)C2=O)n1 ZINC000742353213 579449419 /nfs/dbraw/zinc/44/94/19/579449419.db2.gz VBQYMVZDVFJNQK-CYBMUJFWSA-N 1 2 331.351 1.392 20 30 EDEDLO C[C@@H](OC(=O)CCc1ccc(N)[nH+]c1)C(=O)NC1(C#N)CCCCC1 ZINC000759812077 580015887 /nfs/dbraw/zinc/01/58/87/580015887.db2.gz VAZIVVCEYGLILA-CYBMUJFWSA-N 1 2 344.415 1.871 20 30 EDEDLO N#CCn1c(C[N@@H+]2CCOCC3(CCC3)C2)nc2ccccc2c1=O ZINC000759914836 580019184 /nfs/dbraw/zinc/01/91/84/580019184.db2.gz LFIUJKTXEAZRGG-UHFFFAOYSA-N 1 2 338.411 1.923 20 30 EDEDLO N#CCn1c(C[N@H+]2CCOCC3(CCC3)C2)nc2ccccc2c1=O ZINC000759914836 580019185 /nfs/dbraw/zinc/01/91/85/580019185.db2.gz LFIUJKTXEAZRGG-UHFFFAOYSA-N 1 2 338.411 1.923 20 30 EDEDLO N#CC(C(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1)c1nc2ccccc2s1 ZINC000728913408 578554178 /nfs/dbraw/zinc/55/41/78/578554178.db2.gz AXAINORIYXQEBA-RWMBFGLXSA-N 1 2 326.425 1.624 20 30 EDEDLO N#C[C@H](C(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1)c1nc2ccccc2s1 ZINC000728913408 578554179 /nfs/dbraw/zinc/55/41/79/578554179.db2.gz AXAINORIYXQEBA-RWMBFGLXSA-N 1 2 326.425 1.624 20 30 EDEDLO CN1C(=O)N[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1=O ZINC000735310213 578875041 /nfs/dbraw/zinc/87/50/41/578875041.db2.gz TYEFFPQPBGGSCU-MRXNPFEDSA-N 1 2 348.790 1.368 20 30 EDEDLO CN1C(=O)N[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1=O ZINC000735310213 578875042 /nfs/dbraw/zinc/87/50/42/578875042.db2.gz TYEFFPQPBGGSCU-MRXNPFEDSA-N 1 2 348.790 1.368 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000739912887 579267017 /nfs/dbraw/zinc/26/70/17/579267017.db2.gz XLJOTUWBBXPKQT-KRWDZBQOSA-N 1 2 339.395 1.234 20 30 EDEDLO C#CCCCNC(=O)C(C)(C)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000744370235 579508642 /nfs/dbraw/zinc/50/86/42/579508642.db2.gz GJYXBXQGEAOYAY-UHFFFAOYSA-N 1 2 337.464 1.847 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1coc2ccccc12 ZINC000746557932 579601012 /nfs/dbraw/zinc/60/10/12/579601012.db2.gz AMQXVTOQZRAYMZ-UHFFFAOYSA-N 1 2 332.429 1.563 20 30 EDEDLO C=CC[N@@H+](C)CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O ZINC000777541749 580444098 /nfs/dbraw/zinc/44/40/98/580444098.db2.gz RKDNDQJTAUNKAY-GOSISDBHSA-N 1 2 345.399 1.734 20 30 EDEDLO C=CC[N@H+](C)CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O ZINC000777541749 580444099 /nfs/dbraw/zinc/44/40/99/580444099.db2.gz RKDNDQJTAUNKAY-GOSISDBHSA-N 1 2 345.399 1.734 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2cccnn21 ZINC000777855849 580451938 /nfs/dbraw/zinc/45/19/38/580451938.db2.gz SXYSWKMJKHRAGK-UHFFFAOYSA-N 1 2 327.388 1.022 20 30 EDEDLO C#CCN(CC#C)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000752076564 579837160 /nfs/dbraw/zinc/83/71/60/579837160.db2.gz HEJKBLNDGCQVSG-UHFFFAOYSA-N 1 2 343.858 1.553 20 30 EDEDLO CC(=O)OC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000753644084 579884089 /nfs/dbraw/zinc/88/40/89/579884089.db2.gz FOTFAUXPEJRVKD-MRXNPFEDSA-N 1 2 341.367 1.218 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000757584761 579968395 /nfs/dbraw/zinc/96/83/95/579968395.db2.gz YSVSJQZUEXCDQC-KGLIPLIRSA-N 1 2 347.419 1.539 20 30 EDEDLO N#Cc1cccn(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c1=O ZINC000758203655 579976732 /nfs/dbraw/zinc/97/67/32/579976732.db2.gz FWUUKZHOXAMCFG-UHFFFAOYSA-N 1 2 342.321 1.068 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000762407608 580073889 /nfs/dbraw/zinc/07/38/89/580073889.db2.gz DANBLDKMOAGMGS-WBVHZDCISA-N 1 2 343.402 1.535 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000762407608 580073890 /nfs/dbraw/zinc/07/38/90/580073890.db2.gz DANBLDKMOAGMGS-WBVHZDCISA-N 1 2 343.402 1.535 20 30 EDEDLO CCCCCCCC[NH+]1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000766245685 580162560 /nfs/dbraw/zinc/16/25/60/580162560.db2.gz FKVXVQTZUMLYMV-HZPDHXFCSA-N 1 2 332.510 1.122 20 30 EDEDLO COC(=O)C[C@H]1CCCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612059 580170161 /nfs/dbraw/zinc/17/01/61/580170161.db2.gz LBUXLBQBNBPWNC-CQSZACIVSA-N 1 2 329.400 1.584 20 30 EDEDLO COC(=O)C[C@H]1CCCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612059 580170162 /nfs/dbraw/zinc/17/01/62/580170162.db2.gz LBUXLBQBNBPWNC-CQSZACIVSA-N 1 2 329.400 1.584 20 30 EDEDLO N#CCC(=O)Nc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767425974 580189476 /nfs/dbraw/zinc/18/94/76/580189476.db2.gz KAZMHUBQNXYUHW-IYBDPMFKSA-N 1 2 343.383 1.559 20 30 EDEDLO N#CCC(=O)Nc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767425974 580189477 /nfs/dbraw/zinc/18/94/77/580189477.db2.gz KAZMHUBQNXYUHW-IYBDPMFKSA-N 1 2 343.383 1.559 20 30 EDEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(c3nc(N)ns3)CC2)cc1 ZINC000770304510 580257732 /nfs/dbraw/zinc/25/77/32/580257732.db2.gz PFLCPVMUWSLQMP-GFCCVEGCSA-N 1 2 344.444 1.733 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC000770754563 580270692 /nfs/dbraw/zinc/27/06/92/580270692.db2.gz VGOIZFZGNNWQNE-ZDUSSCGKSA-N 1 2 347.365 1.095 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000771149273 580281011 /nfs/dbraw/zinc/28/10/11/580281011.db2.gz YWVOCDLAAQDHEV-HSZRJFAPSA-N 1 2 328.441 1.607 20 30 EDEDLO C#C[C@H](NC(=O)NCCn1c(C)[nH+]c2ccccc21)[C@@H]1CCCO1 ZINC000773130340 580327901 /nfs/dbraw/zinc/32/79/01/580327901.db2.gz SYMWIVPSTRWXCG-YOEHRIQHSA-N 1 2 326.400 1.825 20 30 EDEDLO Cc1nnc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000773178274 580329667 /nfs/dbraw/zinc/32/96/67/580329667.db2.gz YFZXLUFBWILMBU-UHFFFAOYSA-N 1 2 347.444 1.516 20 30 EDEDLO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CC(=O)NCCC#N ZINC000773958597 580350240 /nfs/dbraw/zinc/35/02/40/580350240.db2.gz MEODOBAYAIAQLE-HNNXBMFYSA-N 1 2 337.427 1.775 20 30 EDEDLO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1CC(=O)NCCC#N ZINC000773958597 580350241 /nfs/dbraw/zinc/35/02/41/580350241.db2.gz MEODOBAYAIAQLE-HNNXBMFYSA-N 1 2 337.427 1.775 20 30 EDEDLO C#CCC[NH+]1CCN(c2ncccc2I)CC1 ZINC000774528630 580364420 /nfs/dbraw/zinc/36/44/20/580364420.db2.gz IDCCHEYCUDKWIR-UHFFFAOYSA-N 1 2 341.196 1.832 20 30 EDEDLO CC[C@]1(O)CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000778400096 580464296 /nfs/dbraw/zinc/46/42/96/580464296.db2.gz VVKCLJNYORRDQF-UGSOOPFHSA-N 1 2 340.383 1.358 20 30 EDEDLO CC[C@]1(O)CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000778400096 580464297 /nfs/dbraw/zinc/46/42/97/580464297.db2.gz VVKCLJNYORRDQF-UGSOOPFHSA-N 1 2 340.383 1.358 20 30 EDEDLO COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(C#N)cn2)c1C ZINC000780362116 580519883 /nfs/dbraw/zinc/51/98/83/580519883.db2.gz CEDVYDHFKXJXIF-UHFFFAOYSA-N 1 2 325.372 1.973 20 30 EDEDLO N#Cc1ccc(CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)nc1 ZINC000780366735 580520167 /nfs/dbraw/zinc/52/01/67/580520167.db2.gz XPJNEYGRNAOHSM-UHFFFAOYSA-N 1 2 333.355 1.533 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)nc1 ZINC000780643488 580529987 /nfs/dbraw/zinc/52/99/87/580529987.db2.gz XXLBAPSEIZBFCF-UHFFFAOYSA-N 1 2 336.399 1.376 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000782302307 580571464 /nfs/dbraw/zinc/57/14/64/580571464.db2.gz LMHHMNAJVYEBRH-GUYCJALGSA-N 1 2 340.420 1.512 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cnn(CCC(C)C)c2CC)CC1 ZINC000789671083 580751251 /nfs/dbraw/zinc/75/12/51/580751251.db2.gz UZIMORJIYVRJNQ-UHFFFAOYSA-N 1 2 345.491 1.681 20 30 EDEDLO O=C(C=NOCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc(F)cc1F ZINC000789738039 580752369 /nfs/dbraw/zinc/75/23/69/580752369.db2.gz IMOBEXADKAUDPM-BETUJISGSA-N 1 2 339.342 1.769 20 30 EDEDLO O=C(C=NOCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc(F)cc1F ZINC000789738039 580752370 /nfs/dbraw/zinc/75/23/70/580752370.db2.gz IMOBEXADKAUDPM-BETUJISGSA-N 1 2 339.342 1.769 20 30 EDEDLO C#CCCCS(=O)(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000791422812 580792226 /nfs/dbraw/zinc/79/22/26/580792226.db2.gz ISASOYDYQLPAGB-KRWDZBQOSA-N 1 2 349.500 1.530 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCOC[C@H](C4CCC4)C3)c1=O)CCC2 ZINC000793739946 580854227 /nfs/dbraw/zinc/85/42/27/580854227.db2.gz AXYFWWLNQAHSGI-MRXNPFEDSA-N 1 2 327.428 1.915 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCOC[C@H](C4CCC4)C3)c1=O)CCC2 ZINC000793739946 580854228 /nfs/dbraw/zinc/85/42/28/580854228.db2.gz AXYFWWLNQAHSGI-MRXNPFEDSA-N 1 2 327.428 1.915 20 30 EDEDLO C[C@@H]1CCN(Cn2nc(CC#N)n(C)c2=S)C[C@H]1n1cc[nH+]c1 ZINC000794636189 580901082 /nfs/dbraw/zinc/90/10/82/580901082.db2.gz ZMDFPSRWSNZSHS-CHWSQXEVSA-N 1 2 331.449 1.754 20 30 EDEDLO C[C@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C[C@]2(CCOC2)O1 ZINC000794704584 580903587 /nfs/dbraw/zinc/90/35/87/580903587.db2.gz NASNUCNTZIGXAL-UGSOOPFHSA-N 1 2 329.400 1.046 20 30 EDEDLO C[C@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C[C@]2(CCOC2)O1 ZINC000794704584 580903588 /nfs/dbraw/zinc/90/35/88/580903588.db2.gz NASNUCNTZIGXAL-UGSOOPFHSA-N 1 2 329.400 1.046 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CCC[C@H]1c1ccccn1 ZINC000794868132 580907063 /nfs/dbraw/zinc/90/70/63/580907063.db2.gz GGVHKBJCMKXVAM-AWEZNQCLSA-N 1 2 347.488 1.501 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000796379619 580952592 /nfs/dbraw/zinc/95/25/92/580952592.db2.gz UXVGLNOCDQLOPL-JLSDUUJJSA-N 1 2 343.427 1.567 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000797860028 580982411 /nfs/dbraw/zinc/98/24/11/580982411.db2.gz CBWYHQHIEJZIMR-CQSZACIVSA-N 1 2 341.402 1.096 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000797860028 580982412 /nfs/dbraw/zinc/98/24/12/580982412.db2.gz CBWYHQHIEJZIMR-CQSZACIVSA-N 1 2 341.402 1.096 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000798292067 580993249 /nfs/dbraw/zinc/99/32/49/580993249.db2.gz UQBAPFFJZKNKGZ-HXUWFJFHSA-N 1 2 349.434 1.736 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000800020153 581040936 /nfs/dbraw/zinc/04/09/36/581040936.db2.gz ATYVVIFNHOKJBJ-AWEZNQCLSA-N 1 2 347.444 1.688 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(C)cc(C)c2OC)CC1 ZINC000800902455 581061193 /nfs/dbraw/zinc/06/11/93/581061193.db2.gz KRFGCSPHQQEWMO-UHFFFAOYSA-N 1 2 336.457 1.642 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)cn1 ZINC000801554075 581079599 /nfs/dbraw/zinc/07/95/99/581079599.db2.gz PRUASAZRJYABSO-UHFFFAOYSA-N 1 2 347.382 1.720 20 30 EDEDLO C[C@]1(C#N)CN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCO1 ZINC000891833031 590643811 /nfs/dbraw/zinc/64/38/11/590643811.db2.gz GHPIDDHUOMVLMX-SFHVURJKSA-N 1 2 343.431 1.896 20 30 EDEDLO N#Cc1csc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)n1 ZINC000891990273 590731418 /nfs/dbraw/zinc/73/14/18/590731418.db2.gz RKAIOBWDNHHGIF-UHFFFAOYSA-N 1 2 330.417 1.589 20 30 EDEDLO Cc1ccc(C)c(C2=NO[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C2)c1 ZINC000890885706 590832696 /nfs/dbraw/zinc/83/26/96/590832696.db2.gz FACSNIHULGZYBF-SJLPKXTDSA-N 1 2 328.416 1.757 20 30 EDEDLO C[C@@]1(C#N)CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000892310410 590934150 /nfs/dbraw/zinc/93/41/50/590934150.db2.gz LVBDFJKZVZMPKJ-QGZVFWFLSA-N 1 2 343.362 1.835 20 30 EDEDLO CN(C)c1c(C=[NH+]Nc2cccc(Cl)c2)c(=O)n(C)c(=O)n1C ZINC000807942689 590938316 /nfs/dbraw/zinc/93/83/16/590938316.db2.gz HIHKSXNMVTXGQK-UHFFFAOYSA-N 1 2 335.795 1.249 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(OC)c2C)C1 ZINC000891603899 591145059 /nfs/dbraw/zinc/14/50/59/591145059.db2.gz SEUCOAWZFCDCCE-OAHLLOKOSA-N 1 2 343.427 1.464 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)cc(OC)c2C)C1 ZINC000891603899 591145062 /nfs/dbraw/zinc/14/50/62/591145062.db2.gz SEUCOAWZFCDCCE-OAHLLOKOSA-N 1 2 343.427 1.464 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCC)c2)C1 ZINC000891607043 591147373 /nfs/dbraw/zinc/14/73/73/591147373.db2.gz LKRACCWDIIAKRG-HNNXBMFYSA-N 1 2 329.400 1.238 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCC)c2)C1 ZINC000891607043 591147374 /nfs/dbraw/zinc/14/73/74/591147374.db2.gz LKRACCWDIIAKRG-HNNXBMFYSA-N 1 2 329.400 1.238 20 30 EDEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3nccn3C3CC3)C2=O)cc1 ZINC000894004830 591166150 /nfs/dbraw/zinc/16/61/50/591166150.db2.gz ALUBRPZDIJPNPM-QGZVFWFLSA-N 1 2 335.411 1.980 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\C=C(Cl)Cl ZINC000896625332 591552665 /nfs/dbraw/zinc/55/26/65/591552665.db2.gz ZNSKRUXVYSKPBF-RJRFIUFISA-N 1 2 332.231 1.936 20 30 EDEDLO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895065504 591559548 /nfs/dbraw/zinc/55/95/48/591559548.db2.gz DDWHCCQRSNAGAY-UHFFFAOYSA-N 1 2 338.415 1.442 20 30 EDEDLO C[N@H+](Cc1ccc(S(N)(=O)=O)s1)Cc1cc(C#N)cs1 ZINC000897624827 591592641 /nfs/dbraw/zinc/59/26/41/591592641.db2.gz ZYXPQNGBZZMGTN-UHFFFAOYSA-N 1 2 327.456 1.961 20 30 EDEDLO C[N@@H+](Cc1ccc(S(N)(=O)=O)s1)Cc1cc(C#N)cs1 ZINC000897624827 591592645 /nfs/dbraw/zinc/59/26/45/591592645.db2.gz ZYXPQNGBZZMGTN-UHFFFAOYSA-N 1 2 327.456 1.961 20 30 EDEDLO O=C1[C@@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCCN1O ZINC000895159714 591625684 /nfs/dbraw/zinc/62/56/84/591625684.db2.gz XTOOUZJPMGJXDI-VIFPVBQESA-N 1 2 346.840 1.103 20 30 EDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000899064388 591668523 /nfs/dbraw/zinc/66/85/23/591668523.db2.gz XQBTTWXJPUOEGQ-DLBZAZTESA-N 1 2 341.411 1.227 20 30 EDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC000899064388 591668527 /nfs/dbraw/zinc/66/85/27/591668527.db2.gz XQBTTWXJPUOEGQ-DLBZAZTESA-N 1 2 341.411 1.227 20 30 EDEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)c(C#N)c(C)c1 ZINC000898081969 591781747 /nfs/dbraw/zinc/78/17/47/591781747.db2.gz YDXKGXAKNUWAGT-OAHLLOKOSA-N 1 2 326.356 1.343 20 30 EDEDLO C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@@H](C)N1CC#N ZINC000898132522 591794504 /nfs/dbraw/zinc/79/45/04/591794504.db2.gz JZKCQXDMGMEILF-ZIAGYGMSSA-N 1 2 339.399 1.636 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c[nH+]1 ZINC000895575391 591805882 /nfs/dbraw/zinc/80/58/82/591805882.db2.gz CLXNUTHFVNXHMN-UHFFFAOYSA-N 1 2 338.415 1.542 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000901939887 591869987 /nfs/dbraw/zinc/86/99/87/591869987.db2.gz WXULAEHNFUHIKD-UHFFFAOYSA-N 1 2 349.818 1.316 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cn2nc(-c3ccccc3)nc2Cl)CC1 ZINC000902702352 592051532 /nfs/dbraw/zinc/05/15/32/592051532.db2.gz VUULBJAHQVGNAM-UHFFFAOYSA-N 1 2 343.818 1.376 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](O)c2cccc(Br)c2)CC1 ZINC000900688970 592095181 /nfs/dbraw/zinc/09/51/81/592095181.db2.gz FOTMNWDNPHZOGZ-CQSZACIVSA-N 1 2 337.217 1.260 20 30 EDEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)C(F)(F)c2ccccc2C#N)C[C@H]1C ZINC000900846658 592146556 /nfs/dbraw/zinc/14/65/56/592146556.db2.gz SPSVEDMRVOWUFR-OLZOCXBDSA-N 1 2 337.370 1.564 20 30 EDEDLO C[C@H](O)C[N@H+]1CCN(C(=O)C(F)(F)c2ccccc2C#N)C[C@H]1C ZINC000900846658 592146558 /nfs/dbraw/zinc/14/65/58/592146558.db2.gz SPSVEDMRVOWUFR-OLZOCXBDSA-N 1 2 337.370 1.564 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000900855850 592148368 /nfs/dbraw/zinc/14/83/68/592148368.db2.gz WQDJDDHLFIFQEM-LXXRFIIISA-N 1 2 328.412 1.667 20 30 EDEDLO Cc1c(C=[NH+]N[C@@H]2CCCC[C@H]2O)c(=O)n(-c2ccccc2)n1C ZINC000901339484 592334901 /nfs/dbraw/zinc/33/49/01/592334901.db2.gz OWXQDHCLVYLOFN-IAGOWNOFSA-N 1 2 328.416 1.711 20 30 EDEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C\c1c[nH+]cn1C ZINC000901485204 592381641 /nfs/dbraw/zinc/38/16/41/592381641.db2.gz FYMOGVAJFACNTO-WAYWQWQTSA-N 1 2 336.417 1.174 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)cc1 ZINC000907062239 592500821 /nfs/dbraw/zinc/50/08/21/592500821.db2.gz CTECUEHJMLURQO-WMZOPIPTSA-N 1 2 348.468 1.399 20 30 EDEDLO C#CC[N@H+](CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O)C(C)C ZINC000905742014 592634053 /nfs/dbraw/zinc/63/40/53/592634053.db2.gz IERQXYVWUXFDSU-IBGZPJMESA-N 1 2 325.412 1.767 20 30 EDEDLO C#CC[N@@H+](CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O)C(C)C ZINC000905742014 592634055 /nfs/dbraw/zinc/63/40/55/592634055.db2.gz IERQXYVWUXFDSU-IBGZPJMESA-N 1 2 325.412 1.767 20 30 EDEDLO CN1CCN(C(=O)C(F)(F)c2ccccc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000907566403 592712499 /nfs/dbraw/zinc/71/24/99/592712499.db2.gz YRIRVJJYCPMGRU-CQSZACIVSA-N 1 2 345.353 1.888 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)[C@@H](C)CC#N ZINC000907584577 592722310 /nfs/dbraw/zinc/72/23/10/592722310.db2.gz WVSYXFNZQCHFGV-NHYWBVRUSA-N 1 2 325.372 1.192 20 30 EDEDLO C/C(=C/C(=O)Nc1n[nH]c2cc(C#N)c(C)cc21)C[NH+]1CCOCC1 ZINC000911898004 593032727 /nfs/dbraw/zinc/03/27/27/593032727.db2.gz IYVQEZFWXLTZLU-GHXNOFRVSA-N 1 2 339.399 1.960 20 30 EDEDLO N#C[C@H]1CCCC[C@H]1NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000912408294 593093716 /nfs/dbraw/zinc/09/37/16/593093716.db2.gz UTKKNYCZPVWQPQ-HZPDHXFCSA-N 1 2 330.432 1.632 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccccc1CC#N ZINC000803516442 593339102 /nfs/dbraw/zinc/33/91/02/593339102.db2.gz YIJQRTNFRLMNDY-QAPCUYQASA-N 1 2 327.428 1.617 20 30 EDEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)CCO[C@H](C)C#N)s1 ZINC000809999254 593374868 /nfs/dbraw/zinc/37/48/68/593374868.db2.gz KNUZCZCCAIZYED-LLVKDONJSA-N 1 2 325.438 1.536 20 30 EDEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)CCO[C@H](C)C#N)s1 ZINC000809999254 593374869 /nfs/dbraw/zinc/37/48/69/593374869.db2.gz KNUZCZCCAIZYED-LLVKDONJSA-N 1 2 325.438 1.536 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000810197030 593388409 /nfs/dbraw/zinc/38/84/09/593388409.db2.gz SPCHUDAKXNLULO-UHFFFAOYSA-N 1 2 326.400 1.707 20 30 EDEDLO COc1cc2c(cc1OC)CC[NH+](Cn1cccc(C#N)c1=O)CC2 ZINC000758199796 593396326 /nfs/dbraw/zinc/39/63/26/593396326.db2.gz UCFVZQPDHWBEIM-UHFFFAOYSA-N 1 2 339.395 1.795 20 30 EDEDLO CCCCCC(=O)NC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758201882 593396799 /nfs/dbraw/zinc/39/67/99/593396799.db2.gz FRKSSWJNVSXQJT-UHFFFAOYSA-N 1 2 330.432 1.838 20 30 EDEDLO C=CCCN(OCc1ccccc1)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000804625587 593428546 /nfs/dbraw/zinc/42/85/46/593428546.db2.gz WQESCPOCSOTYPF-UHFFFAOYSA-N 1 2 342.399 1.573 20 30 EDEDLO C[C@H]1C[NH+]=C(NN=Cc2cn(-c3ccccc3Br)nn2)N1 ZINC000811647169 593475642 /nfs/dbraw/zinc/47/56/42/593475642.db2.gz ZLDIMVHPTYAJCK-VIFPVBQESA-N 1 2 348.208 1.301 20 30 EDEDLO C#C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)C(C)C ZINC000812039777 593489120 /nfs/dbraw/zinc/48/91/20/593489120.db2.gz VITSLCIVESWXNM-OALUTQOASA-N 1 2 343.471 1.887 20 30 EDEDLO O=C(N[C@H]1CCCN(O)C1=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000816757114 593548809 /nfs/dbraw/zinc/54/88/09/593548809.db2.gz LWTXSXBGUGFSKD-GJZGRUSLSA-N 1 2 349.456 1.273 20 30 EDEDLO COCC(COC)[NH+]1CCN(c2snc(Cl)c2C#N)CC1 ZINC000840360112 593698186 /nfs/dbraw/zinc/69/81/86/593698186.db2.gz XLAIRWQUFMILRS-UHFFFAOYSA-N 1 2 330.841 1.452 20 30 EDEDLO C#C[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000820464619 593820363 /nfs/dbraw/zinc/82/03/63/593820363.db2.gz QOFJXMQCXCGVFX-INIZCTEOSA-N 1 2 333.407 1.910 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000820605299 593842992 /nfs/dbraw/zinc/84/29/92/593842992.db2.gz PLZINSFGYORJDE-KRWDZBQOSA-N 1 2 343.427 1.701 20 30 EDEDLO N#Cc1ccc(F)c(C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000820955085 593928402 /nfs/dbraw/zinc/92/84/02/593928402.db2.gz PZUCZIPJRPJIPB-UHFFFAOYSA-N 1 2 340.358 1.859 20 30 EDEDLO CON=C(C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1csc(N)n1 ZINC000822477458 594054273 /nfs/dbraw/zinc/05/42/73/594054273.db2.gz BDNKDWOETBKTNY-SNVBAGLBSA-N 1 2 348.432 1.216 20 30 EDEDLO C#C[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)C1CCOCC1 ZINC000824693791 594057560 /nfs/dbraw/zinc/05/75/60/594057560.db2.gz QVXWCDGGZKOPNF-OALUTQOASA-N 1 2 342.439 1.814 20 30 EDEDLO C#C[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C1CCOCC1 ZINC000824693791 594057563 /nfs/dbraw/zinc/05/75/63/594057563.db2.gz QVXWCDGGZKOPNF-OALUTQOASA-N 1 2 342.439 1.814 20 30 EDEDLO C#C[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C1CCOCC1 ZINC000824693478 594057705 /nfs/dbraw/zinc/05/77/05/594057705.db2.gz OPCTUYDYTPCQAU-CHWSQXEVSA-N 1 2 329.322 1.921 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC000822712312 594090075 /nfs/dbraw/zinc/09/00/75/594090075.db2.gz BCDSWCXLTYWVSG-HZPDHXFCSA-N 1 2 336.395 1.602 20 30 EDEDLO CC[N@H+](C[C@H](C)C#N)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825399196 594178673 /nfs/dbraw/zinc/17/86/73/594178673.db2.gz MCNRWMPZYSOFHA-DOMZBBRYSA-N 1 2 339.403 1.454 20 30 EDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825399196 594178674 /nfs/dbraw/zinc/17/86/74/594178674.db2.gz MCNRWMPZYSOFHA-DOMZBBRYSA-N 1 2 339.403 1.454 20 30 EDEDLO Cc1c(C#N)c(N2CC[NH+](CC[S@@](C)=O)CC2)nc2ccccc12 ZINC000827667294 594254507 /nfs/dbraw/zinc/25/45/07/594254507.db2.gz ACWGTASGOOTUES-XMMPIXPASA-N 1 2 342.468 1.915 20 30 EDEDLO N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000828531287 594447080 /nfs/dbraw/zinc/44/70/80/594447080.db2.gz IVWCDBHOMAOFPN-DLBZAZTESA-N 1 2 344.415 1.823 20 30 EDEDLO N#Cc1cnccc1C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000828531287 594447082 /nfs/dbraw/zinc/44/70/82/594447082.db2.gz IVWCDBHOMAOFPN-DLBZAZTESA-N 1 2 344.415 1.823 20 30 EDEDLO N#Cc1cc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)ccn1 ZINC000826383734 594453259 /nfs/dbraw/zinc/45/32/59/594453259.db2.gz NUCCFPTYERVWAS-UHFFFAOYSA-N 1 2 346.398 1.456 20 30 EDEDLO CCc1c[nH]c(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)[nH+]1 ZINC000827408612 594669201 /nfs/dbraw/zinc/66/92/01/594669201.db2.gz MWDOVRXUWAYVBD-UHFFFAOYSA-N 1 2 341.390 1.874 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000831690787 594692962 /nfs/dbraw/zinc/69/29/62/594692962.db2.gz CVMUIUZUADEZJV-HNNXBMFYSA-N 1 2 327.384 1.571 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000831699565 594693966 /nfs/dbraw/zinc/69/39/66/594693966.db2.gz PVYNVKIPWYDNGQ-GFCCVEGCSA-N 1 2 325.409 1.678 20 30 EDEDLO N#Cc1cccnc1OC1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000832715712 594771237 /nfs/dbraw/zinc/77/12/37/594771237.db2.gz FQUHSASYEWGHGG-UHFFFAOYSA-N 1 2 325.372 1.725 20 30 EDEDLO CN1CC[NH+](CCCS(=O)(=O)Oc2cc(F)cc(C#N)c2)CC1 ZINC000867274704 594956166 /nfs/dbraw/zinc/95/61/66/594956166.db2.gz VIGYHEHVLFNZAQ-UHFFFAOYSA-N 1 2 341.408 1.043 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)O[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842659031 595162319 /nfs/dbraw/zinc/16/23/19/595162319.db2.gz VUQFPYZFLCABFX-ZIAGYGMSSA-N 1 2 327.425 1.494 20 30 EDEDLO N#Cc1cccc(NC(=O)CO[NH+]=C(N)COC[C@H]2CCOC2)c1 ZINC000842661432 595162964 /nfs/dbraw/zinc/16/29/64/595162964.db2.gz IFWHEXJQGSEBBU-ZDUSSCGKSA-N 1 2 332.360 1.048 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000834791240 595212955 /nfs/dbraw/zinc/21/29/55/595212955.db2.gz DLXODCNPHSUPFY-JKSUJKDBSA-N 1 2 340.427 1.038 20 30 EDEDLO N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CCO2)c1 ZINC000844136590 595283000 /nfs/dbraw/zinc/28/30/00/595283000.db2.gz GTHLVWOYMGBGSR-AEFFLSMTSA-N 1 2 336.395 1.917 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CN(C3CC3)C(=O)O2)c1 ZINC000844278566 595315362 /nfs/dbraw/zinc/31/53/62/595315362.db2.gz QMLLCTSZZFECRM-INIZCTEOSA-N 1 2 327.384 1.521 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CN(C3CC3)C(=O)O2)c1 ZINC000844278566 595315364 /nfs/dbraw/zinc/31/53/64/595315364.db2.gz QMLLCTSZZFECRM-INIZCTEOSA-N 1 2 327.384 1.521 20 30 EDEDLO C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365675 595330976 /nfs/dbraw/zinc/33/09/76/595330976.db2.gz HEZAPEJBTRRLCW-WFASDCNBSA-N 1 2 325.372 1.341 20 30 EDEDLO C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365675 595330979 /nfs/dbraw/zinc/33/09/79/595330979.db2.gz HEZAPEJBTRRLCW-WFASDCNBSA-N 1 2 325.372 1.341 20 30 EDEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000846960925 595343105 /nfs/dbraw/zinc/34/31/05/595343105.db2.gz PGTKJGBRJZZLAQ-AWEZNQCLSA-N 1 2 341.333 1.797 20 30 EDEDLO CON1CC[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000846975128 595345035 /nfs/dbraw/zinc/34/50/35/595345035.db2.gz BBMHRIZCPHBRGG-AWEZNQCLSA-N 1 2 337.383 1.403 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000847022044 595351848 /nfs/dbraw/zinc/35/18/48/595351848.db2.gz ROJFNPIATGDNEL-GFCCVEGCSA-N 1 2 328.351 1.085 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 ZINC000847022044 595351851 /nfs/dbraw/zinc/35/18/51/595351851.db2.gz ROJFNPIATGDNEL-GFCCVEGCSA-N 1 2 328.351 1.085 20 30 EDEDLO CC(C)(C)C(=O)Nc1ccncc1C=NNCCCn1cc[nH+]c1 ZINC000848419169 595375989 /nfs/dbraw/zinc/37/59/89/595375989.db2.gz VAVPGUQCKSTWHM-UHFFFAOYSA-N 1 2 328.420 1.698 20 30 EDEDLO N#Cc1ccc(CO[NH+]=C(N)COC[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000844764074 595392366 /nfs/dbraw/zinc/39/23/66/595392366.db2.gz GCGLQXVDCXKYRA-LBPRGKRZSA-N 1 2 334.332 1.518 20 30 EDEDLO CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000847486166 595431564 /nfs/dbraw/zinc/43/15/64/595431564.db2.gz YAJTVZIUTRPTMB-UHFFFAOYSA-N 1 2 332.404 1.676 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)nc2)cn1 ZINC000105779462 595448746 /nfs/dbraw/zinc/44/87/46/595448746.db2.gz PVNSGZJGYYZOJT-UHFFFAOYSA-N 1 2 326.341 1.335 20 30 EDEDLO COC(=O)/C=C/c1ccc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)o1 ZINC000848916278 595467514 /nfs/dbraw/zinc/46/75/14/595467514.db2.gz RXCWHQXEWNRFNK-AATRIKPKSA-N 1 2 332.356 1.745 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000845501689 595508175 /nfs/dbraw/zinc/50/81/75/595508175.db2.gz WMUJBMGHNVWOPF-JKSUJKDBSA-N 1 2 349.475 1.847 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000112920845 595569441 /nfs/dbraw/zinc/56/94/41/595569441.db2.gz HUXSRDUWUFZROJ-HOTGVXAUSA-N 1 2 342.443 1.086 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000855344408 595679465 /nfs/dbraw/zinc/67/94/65/595679465.db2.gz VSHBABKDPPYCDL-KRWDZBQOSA-N 1 2 336.395 1.903 20 30 EDEDLO Cc1ccc(O[C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)nc1 ZINC000858043524 595688406 /nfs/dbraw/zinc/68/84/06/595688406.db2.gz XFGKBAHTVMZTHJ-WMZOPIPTSA-N 1 2 336.395 1.941 20 30 EDEDLO Cc1ccc(O[C@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)nc1 ZINC000858043524 595688408 /nfs/dbraw/zinc/68/84/08/595688408.db2.gz XFGKBAHTVMZTHJ-WMZOPIPTSA-N 1 2 336.395 1.941 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@](C)(COCc1ccccc1)OC ZINC000855398511 595692527 /nfs/dbraw/zinc/69/25/27/595692527.db2.gz AQQFUPVIZUBDDQ-ICSRJNTNSA-N 1 2 344.455 1.822 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(COCc1ccccc1)OC ZINC000855398511 595692528 /nfs/dbraw/zinc/69/25/28/595692528.db2.gz AQQFUPVIZUBDDQ-ICSRJNTNSA-N 1 2 344.455 1.822 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000860491274 595703358 /nfs/dbraw/zinc/70/33/58/595703358.db2.gz NIRNAXKVMMHKNV-INIZCTEOSA-N 1 2 331.416 1.679 20 30 EDEDLO C#CCCN(CCOC)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000853268261 595723629 /nfs/dbraw/zinc/72/36/29/595723629.db2.gz WLNGNCGHLHJAEF-UHFFFAOYSA-N 1 2 346.431 1.100 20 30 EDEDLO Cc1[nH]c(CN=Nc2ncnc3c2c(Br)nn3C)[nH+]c1C ZINC000853300668 595731015 /nfs/dbraw/zinc/73/10/15/595731015.db2.gz YDMANDCAWQEDAX-UHFFFAOYSA-N 1 2 349.196 1.912 20 30 EDEDLO CN(C)c1[nH+]cc(C=NN2C(=S)N=NC2Cc2ccccc2)n1C ZINC000853438162 595750898 /nfs/dbraw/zinc/75/08/98/595750898.db2.gz QFCVWMVYZGXKOA-UHFFFAOYSA-N 1 2 341.444 1.839 20 30 EDEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)C1 ZINC000853526534 595785959 /nfs/dbraw/zinc/78/59/59/595785959.db2.gz SOWCIJXMPKWMRA-CVEARBPZSA-N 1 2 326.400 1.733 20 30 EDEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)C1 ZINC000853526534 595785960 /nfs/dbraw/zinc/78/59/60/595785960.db2.gz SOWCIJXMPKWMRA-CVEARBPZSA-N 1 2 326.400 1.733 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1nc(Cl)c(C#N)s1 ZINC000858687667 595865230 /nfs/dbraw/zinc/86/52/30/595865230.db2.gz QBLGDDXOKWRVIP-CQSZACIVSA-N 1 2 342.852 1.696 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1nc(Cl)c(C#N)s1 ZINC000858687667 595865234 /nfs/dbraw/zinc/86/52/34/595865234.db2.gz QBLGDDXOKWRVIP-CQSZACIVSA-N 1 2 342.852 1.696 20 30 EDEDLO C#CC[C@H](COC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000859027198 595954509 /nfs/dbraw/zinc/95/45/09/595954509.db2.gz HAVKJURGQXGUNJ-CVEARBPZSA-N 1 2 344.390 1.986 20 30 EDEDLO CC(=O)c1nc(CC[NH+]2CCN(c3ccc(C#N)nc3)CC2)[nH]c1C ZINC000852000468 596002564 /nfs/dbraw/zinc/00/25/64/596002564.db2.gz UWPNQMIDPXYCQE-UHFFFAOYSA-N 1 2 338.415 1.552 20 30 EDEDLO CC(=O)c1[nH]c(CC[NH+]2CCN(c3ccc(C#N)nc3)CC2)nc1C ZINC000852000468 596002567 /nfs/dbraw/zinc/00/25/67/596002567.db2.gz UWPNQMIDPXYCQE-UHFFFAOYSA-N 1 2 338.415 1.552 20 30 EDEDLO C=C[C@H](C)ONC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000854219909 596005572 /nfs/dbraw/zinc/00/55/72/596005572.db2.gz LGPPIQGVUSXLPV-UAGQMJEPSA-N 1 2 331.416 1.787 20 30 EDEDLO C=C[C@H](C)ONC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000854219909 596005575 /nfs/dbraw/zinc/00/55/75/596005575.db2.gz LGPPIQGVUSXLPV-UAGQMJEPSA-N 1 2 331.416 1.787 20 30 EDEDLO C#CCOCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000852023833 596011684 /nfs/dbraw/zinc/01/16/84/596011684.db2.gz QBBJECJHQMZPFD-HNNXBMFYSA-N 1 2 348.447 1.664 20 30 EDEDLO C#CC[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000852229637 596092738 /nfs/dbraw/zinc/09/27/38/596092738.db2.gz ZVFTUZFCPPECNA-MSOLQXFVSA-N 1 2 327.428 1.867 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCOCC1 ZINC000852648787 596219055 /nfs/dbraw/zinc/21/90/55/596219055.db2.gz SRCPDYBVRCHPRW-KRWDZBQOSA-N 1 2 331.416 1.535 20 30 EDEDLO N#CCc1ccsc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000868841423 596323307 /nfs/dbraw/zinc/32/33/07/596323307.db2.gz HRZAHWSKKBQQJE-UHFFFAOYSA-N 1 2 349.456 1.425 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3coc(C#N)c3)c[nH+]2)CCO1 ZINC000864885186 596403640 /nfs/dbraw/zinc/40/36/40/596403640.db2.gz UJXZZGMYIGZYKM-GFCCVEGCSA-N 1 2 326.356 1.701 20 30 EDEDLO C=CCCN(OCc1ccccc1)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000867571355 596437066 /nfs/dbraw/zinc/43/70/66/596437066.db2.gz HSAWMSDLYNLWKQ-UHFFFAOYSA-N 1 2 342.399 1.905 20 30 EDEDLO C=CCCONC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000869282623 596472871 /nfs/dbraw/zinc/47/28/71/596472871.db2.gz PLZWURUCXASWBM-UHFFFAOYSA-N 1 2 337.395 1.807 20 30 EDEDLO N#Cc1ccccc1/C=C\C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871221358 596502508 /nfs/dbraw/zinc/50/25/08/596502508.db2.gz XHIDWRWARBHEOH-WAYWQWQTSA-N 1 2 347.422 1.748 20 30 EDEDLO CN(C)c1cc(F)c(C=[NH+]N[C@H]2CCCS(=O)(=O)C2)cc1F ZINC000863134398 596507484 /nfs/dbraw/zinc/50/74/84/596507484.db2.gz PDYAAVLYLXLELA-NSHDSACASA-N 1 2 331.388 1.532 20 30 EDEDLO COCC(COC)N[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000863196007 596515964 /nfs/dbraw/zinc/51/59/64/596515964.db2.gz USGAXHZIWUHFMX-UHFFFAOYSA-N 1 2 332.857 1.982 20 30 EDEDLO CCOC1CC(CNC(=O)c2coc(C#N)c2)([NH+]2CCOCC2)C1 ZINC000867839017 596579956 /nfs/dbraw/zinc/57/99/56/596579956.db2.gz RUUKWEBNLMZIKV-UHFFFAOYSA-N 1 2 333.388 1.151 20 30 EDEDLO C=CCCOCCCCC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870062430 596730060 /nfs/dbraw/zinc/73/00/60/596730060.db2.gz BHJFDGSVPYSNDI-QGZVFWFLSA-N 1 2 340.464 1.309 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)nn1 ZINC000870154246 596777521 /nfs/dbraw/zinc/77/75/21/596777521.db2.gz IAWLTZSUIZISOV-INIZCTEOSA-N 1 2 341.415 1.650 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000874157922 596944950 /nfs/dbraw/zinc/94/49/50/596944950.db2.gz ISPYNKPYKRDIJM-SFHVURJKSA-N 1 2 348.406 1.994 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000874157922 596944952 /nfs/dbraw/zinc/94/49/52/596944952.db2.gz ISPYNKPYKRDIJM-SFHVURJKSA-N 1 2 348.406 1.994 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C(=O)[C@@H]4CCCCC[C@H]43)CC2)cn1 ZINC000872793040 597072655 /nfs/dbraw/zinc/07/26/55/597072655.db2.gz IWQSLPVNVKIZIL-QZTJIDSGSA-N 1 2 339.443 1.824 20 30 EDEDLO N#Cc1ccc([C@@H](O)C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)cc1 ZINC000874891030 597211310 /nfs/dbraw/zinc/21/13/10/597211310.db2.gz FWNKSQSVIRDBSF-QZTJIDSGSA-N 1 2 339.370 1.904 20 30 EDEDLO CCCCCCCNC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000875055358 597262897 /nfs/dbraw/zinc/26/28/97/597262897.db2.gz UTSOAJIPJRPHIQ-UHFFFAOYSA-N 1 2 343.431 1.970 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000875189074 597320187 /nfs/dbraw/zinc/32/01/87/597320187.db2.gz DRRYCEBKTCCQFZ-HNNXBMFYSA-N 1 2 327.388 1.495 20 30 EDEDLO CC#CCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000875505577 597456577 /nfs/dbraw/zinc/45/65/77/597456577.db2.gz RLLBZKVTUXGVDQ-GOSISDBHSA-N 1 2 329.444 1.908 20 30 EDEDLO CC#CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000875505577 597456578 /nfs/dbraw/zinc/45/65/78/597456578.db2.gz RLLBZKVTUXGVDQ-GOSISDBHSA-N 1 2 329.444 1.908 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)CC(=O)N1CCCC1)c1ccccc1 ZINC000877893786 597562249 /nfs/dbraw/zinc/56/22/49/597562249.db2.gz WRWWYNQBJCLYQC-IBGZPJMESA-N 1 2 327.428 1.981 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)CC(=O)N1CCCC1)c1ccccc1 ZINC000877893786 597562250 /nfs/dbraw/zinc/56/22/50/597562250.db2.gz WRWWYNQBJCLYQC-IBGZPJMESA-N 1 2 327.428 1.981 20 30 EDEDLO CC(C)C[N@H+](Cc1nnc2c(=O)[nH]ccn12)Cc1ccc(C#N)cc1 ZINC000878010203 597569358 /nfs/dbraw/zinc/56/93/58/597569358.db2.gz KSYXASLBDMPVPO-UHFFFAOYSA-N 1 2 336.399 1.947 20 30 EDEDLO CC(C)C[N@@H+](Cc1nnc2c(=O)[nH]ccn12)Cc1ccc(C#N)cc1 ZINC000878010203 597569359 /nfs/dbraw/zinc/56/93/59/597569359.db2.gz KSYXASLBDMPVPO-UHFFFAOYSA-N 1 2 336.399 1.947 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878300481 597593674 /nfs/dbraw/zinc/59/36/74/597593674.db2.gz FWKKJKKLLTZIRG-UXLLHSPISA-N 1 2 345.443 1.802 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878300481 597593675 /nfs/dbraw/zinc/59/36/75/597593675.db2.gz FWKKJKKLLTZIRG-UXLLHSPISA-N 1 2 345.443 1.802 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)CC2(O)CCCCC2)n1 ZINC000878525674 597622992 /nfs/dbraw/zinc/62/29/92/597622992.db2.gz BWWHOYGVTFJDNN-SFHVURJKSA-N 1 2 349.475 1.411 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)CC2(O)CCCCC2)n1 ZINC000878525674 597622995 /nfs/dbraw/zinc/62/29/95/597622995.db2.gz BWWHOYGVTFJDNN-SFHVURJKSA-N 1 2 349.475 1.411 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000879585691 597645133 /nfs/dbraw/zinc/64/51/33/597645133.db2.gz ANEXCMASYJJGBK-INIZCTEOSA-N 1 2 333.457 1.505 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC000878737376 597695142 /nfs/dbraw/zinc/69/51/42/597695142.db2.gz KQJMMTXVGBZCFE-QFBILLFUSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC000878737376 597695144 /nfs/dbraw/zinc/69/51/44/597695144.db2.gz KQJMMTXVGBZCFE-QFBILLFUSA-N 1 2 333.476 1.487 20 30 EDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878784542 597710256 /nfs/dbraw/zinc/71/02/56/597710256.db2.gz XVGVFFFEPHTVAJ-ZBFHGGJFSA-N 1 2 347.415 1.402 20 30 EDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878784542 597710259 /nfs/dbraw/zinc/71/02/59/597710259.db2.gz XVGVFFFEPHTVAJ-ZBFHGGJFSA-N 1 2 347.415 1.402 20 30 EDEDLO C[C@]12C[N@H+](CCOc3cccc(C#N)c3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015630 597809329 /nfs/dbraw/zinc/80/93/29/597809329.db2.gz LQMSRBHXOVHSCJ-CALCHBBNSA-N 1 2 334.441 1.694 20 30 EDEDLO C[C@]12C[N@@H+](CCOc3cccc(C#N)c3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015630 597809333 /nfs/dbraw/zinc/80/93/33/597809333.db2.gz LQMSRBHXOVHSCJ-CALCHBBNSA-N 1 2 334.441 1.694 20 30 EDEDLO C#C[C@@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)C1CCOCC1 ZINC000882415017 597959834 /nfs/dbraw/zinc/95/98/34/597959834.db2.gz XHUJDUAJKOBYKD-QGZVFWFLSA-N 1 2 348.468 1.381 20 30 EDEDLO C#C[C@@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)C1CCOCC1 ZINC000882415017 597959835 /nfs/dbraw/zinc/95/98/35/597959835.db2.gz XHUJDUAJKOBYKD-QGZVFWFLSA-N 1 2 348.468 1.381 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000884087193 597990950 /nfs/dbraw/zinc/99/09/50/597990950.db2.gz VJZKQTVRQQBUBA-AAEUAGOBSA-N 1 2 330.306 1.853 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)c1ccc2c(c1)OCCO2 ZINC000884098074 597994176 /nfs/dbraw/zinc/99/41/76/597994176.db2.gz ZCSVGXKWTDPBLG-UONOGXRCSA-N 1 2 348.399 1.472 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2cc(OCCC)ccc2C1 ZINC000884326534 598068486 /nfs/dbraw/zinc/06/84/86/598068486.db2.gz VWIZMPJNWHABIQ-KRWDZBQOSA-N 1 2 346.427 1.807 20 30 EDEDLO N#CC1(CS(=O)(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000882838010 598074932 /nfs/dbraw/zinc/07/49/32/598074932.db2.gz WDLFCCVJSQZOOA-HNNXBMFYSA-N 1 2 330.413 1.848 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](c1ccc(C)o1)C(F)(F)F ZINC000884392128 598091059 /nfs/dbraw/zinc/09/10/59/598091059.db2.gz UGXPJRZUJLAZAW-JOYOIKCWSA-N 1 2 334.294 1.754 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1c(C)[nH]c2ccc(F)cc21 ZINC000884436535 598104720 /nfs/dbraw/zinc/10/47/20/598104720.db2.gz HSSFQLKTWJEPHO-HNNXBMFYSA-N 1 2 347.390 1.721 20 30 EDEDLO C=CCC1(O)CC[NH+](CN2C(=O)C(C)(C)[C@H]2c2cnn(C)c2)CC1 ZINC000884479557 598116857 /nfs/dbraw/zinc/11/68/57/598116857.db2.gz LEKZTHKECXYLPD-OAHLLOKOSA-N 1 2 332.448 1.690 20 30 EDEDLO C=CCn1cc(C(=O)NC2C[NH+](Cc3ccc(C)cc3C)C2)nn1 ZINC001031071046 695461890 /nfs/dbraw/zinc/46/18/90/695461890.db2.gz FFHJSNNVZLHHAG-UHFFFAOYSA-N 1 2 325.416 1.695 20 30 EDEDLO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)on1 ZINC000993192360 695767491 /nfs/dbraw/zinc/76/74/91/695767491.db2.gz BUCGIIHRPSCLBK-ABAIWWIYSA-N 1 2 343.387 1.666 20 30 EDEDLO COc1cc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)on1 ZINC000993192360 695767493 /nfs/dbraw/zinc/76/74/93/695767493.db2.gz BUCGIIHRPSCLBK-ABAIWWIYSA-N 1 2 343.387 1.666 20 30 EDEDLO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000993755752 696350283 /nfs/dbraw/zinc/35/02/83/696350283.db2.gz ZGRYFMJFYVIJQR-SWLSCSKDSA-N 1 2 333.819 1.146 20 30 EDEDLO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000993755752 696350285 /nfs/dbraw/zinc/35/02/85/696350285.db2.gz ZGRYFMJFYVIJQR-SWLSCSKDSA-N 1 2 333.819 1.146 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cnon2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994032769 696488916 /nfs/dbraw/zinc/48/89/16/696488916.db2.gz BDOLWJSZQHTIQM-WFASDCNBSA-N 1 2 325.372 1.724 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cnon2)CCC[N@H+]1Cc1ccccc1C#N ZINC000994032769 696488917 /nfs/dbraw/zinc/48/89/17/696488917.db2.gz BDOLWJSZQHTIQM-WFASDCNBSA-N 1 2 325.372 1.724 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C)C1 ZINC000939984727 700103216 /nfs/dbraw/zinc/10/32/16/700103216.db2.gz CISBQFKIMBEFHT-ZIAGYGMSSA-N 1 2 330.432 1.662 20 30 EDEDLO CCc1nc(CON=C(N)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000181851586 700102933 /nfs/dbraw/zinc/10/29/33/700102933.db2.gz NHBFLWFGRHPTPI-AWEZNQCLSA-N 1 2 345.403 1.322 20 30 EDEDLO CCc1nc(CON=C(N)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000181851586 700102934 /nfs/dbraw/zinc/10/29/34/700102934.db2.gz NHBFLWFGRHPTPI-AWEZNQCLSA-N 1 2 345.403 1.322 20 30 EDEDLO Cc1ccc(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1C#N ZINC000917006330 696874158 /nfs/dbraw/zinc/87/41/58/696874158.db2.gz AOOLXFXLDKBQBN-CABCVRRESA-N 1 2 330.432 1.775 20 30 EDEDLO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2nc(C3CC3)no2)cc1 ZINC000917013652 696876887 /nfs/dbraw/zinc/87/68/87/696876887.db2.gz RXOGMGILUHBQCQ-AWEZNQCLSA-N 1 2 328.372 1.543 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N=c2ccn(CCC#N)[nH]2)C1 ZINC000444906326 697193301 /nfs/dbraw/zinc/19/33/01/697193301.db2.gz WIMGNIPANNPMAL-CYBMUJFWSA-N 1 2 327.392 1.364 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000918846216 697215933 /nfs/dbraw/zinc/21/59/33/697215933.db2.gz QKZPWIMIJRZLDO-AWEZNQCLSA-N 1 2 347.444 1.476 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1COCCO1 ZINC001031556754 697243067 /nfs/dbraw/zinc/24/30/67/697243067.db2.gz CWJJXQCLMYLEGW-KRWDZBQOSA-N 1 2 348.830 1.155 20 30 EDEDLO O=C(C#CC1CC1)N[C@H]1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001060729598 697256799 /nfs/dbraw/zinc/25/67/99/697256799.db2.gz FTKHDDRWZOEDGR-WKILWMFISA-N 1 2 342.443 1.547 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCCOC3)C2)ccc1F ZINC001031570606 697263164 /nfs/dbraw/zinc/26/31/64/697263164.db2.gz VGSRCQWIQLAQMF-OAHLLOKOSA-N 1 2 331.391 1.672 20 30 EDEDLO CCn1cc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)cn1 ZINC001031587617 697283378 /nfs/dbraw/zinc/28/33/78/697283378.db2.gz NCGZJUAWXZTGFA-UHFFFAOYSA-N 1 2 341.390 1.776 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)c1cncnc1 ZINC001031629554 697368961 /nfs/dbraw/zinc/36/89/61/697368961.db2.gz GYXRLIDPWHVMOE-UHFFFAOYSA-N 1 2 340.814 1.843 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cn2c(n1)CCC2 ZINC001031681835 697506093 /nfs/dbraw/zinc/50/60/93/697506093.db2.gz LPTLSETXOURZEQ-UHFFFAOYSA-N 1 2 334.423 1.543 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cccc2n[nH]nc21 ZINC001031692708 697540458 /nfs/dbraw/zinc/54/04/58/697540458.db2.gz JNSXJSQHRDWLHF-UHFFFAOYSA-N 1 2 345.406 1.671 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000938386736 697996634 /nfs/dbraw/zinc/99/66/34/697996634.db2.gz ZJDPWVSEPROZIK-AWEZNQCLSA-N 1 2 341.415 1.279 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000994842975 698226743 /nfs/dbraw/zinc/22/67/43/698226743.db2.gz SLOVGCBOAPFCSE-SFHVURJKSA-N 1 2 332.448 1.856 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC000938655599 698430539 /nfs/dbraw/zinc/43/05/39/698430539.db2.gz LIDITBKILFABDS-INIZCTEOSA-N 1 2 330.432 1.806 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC000938655599 698430541 /nfs/dbraw/zinc/43/05/41/698430541.db2.gz LIDITBKILFABDS-INIZCTEOSA-N 1 2 330.432 1.806 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000943547606 698491940 /nfs/dbraw/zinc/49/19/40/698491940.db2.gz NAQZDHZXSUZISI-ZNMIVQPWSA-N 1 2 346.431 1.041 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000943764145 698849259 /nfs/dbraw/zinc/84/92/59/698849259.db2.gz CNTNESZQFIWTRF-HDJSIYSDSA-N 1 2 330.432 1.852 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)sc3C)CC2)C1 ZINC000941476209 701551763 /nfs/dbraw/zinc/55/17/63/701551763.db2.gz RURWDQJGFFQIMM-UHFFFAOYSA-N 1 2 331.485 1.830 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3CCC(OC)CC3)CC2)C1 ZINC000941540735 701570456 /nfs/dbraw/zinc/57/04/56/701570456.db2.gz MFAXPJAOMCRGOX-UHFFFAOYSA-N 1 2 333.476 1.043 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3c(C)cc(C)cc3C)CC2)C1 ZINC000941545077 701575909 /nfs/dbraw/zinc/57/59/09/701575909.db2.gz LGJTVEBXNGKQKQ-UHFFFAOYSA-N 1 2 339.483 1.616 20 30 EDEDLO COc1nccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)n1 ZINC001031839113 699805923 /nfs/dbraw/zinc/80/59/23/699805923.db2.gz IDMUZUGHVLWETR-UHFFFAOYSA-N 1 2 343.412 1.280 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@@H](C)C2)C1 ZINC000945513170 700397050 /nfs/dbraw/zinc/39/70/50/700397050.db2.gz LZWTUAFMPMLJEN-ZFWWWQNUSA-N 1 2 344.459 1.970 20 30 EDEDLO CC1(C)C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940657198 700819170 /nfs/dbraw/zinc/81/91/70/700819170.db2.gz JUNXUCKJZOSAAK-CQSZACIVSA-N 1 2 328.376 1.300 20 30 EDEDLO CC1(C)C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940657198 700819173 /nfs/dbraw/zinc/81/91/73/700819173.db2.gz JUNXUCKJZOSAAK-CQSZACIVSA-N 1 2 328.376 1.300 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001031969708 701682378 /nfs/dbraw/zinc/68/23/78/701682378.db2.gz NCVBGXRTEOLINK-QGZVFWFLSA-N 1 2 340.427 1.165 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)C(C)(C)C1 ZINC000941113124 701190245 /nfs/dbraw/zinc/19/02/45/701190245.db2.gz LCCIVOZLTBLTIK-NSHDSACASA-N 1 2 343.225 1.809 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnon2)C(C)(C)C1 ZINC000941113124 701190246 /nfs/dbraw/zinc/19/02/46/701190246.db2.gz LCCIVOZLTBLTIK-NSHDSACASA-N 1 2 343.225 1.809 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000941229524 701418082 /nfs/dbraw/zinc/41/80/82/701418082.db2.gz XMHRRXFUUNMODJ-HUUCEWRRSA-N 1 2 344.459 1.765 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3c(C)cccc3C)CC2)C1 ZINC000941424044 701524079 /nfs/dbraw/zinc/52/40/79/701524079.db2.gz ITJYAANYAFMHKM-UHFFFAOYSA-N 1 2 325.456 1.308 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4c(o3)CCCC4)CC2)C1 ZINC000941433184 701538840 /nfs/dbraw/zinc/53/88/40/701538840.db2.gz QCEIFLXPAJSEJI-UHFFFAOYSA-N 1 2 341.455 1.624 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)n([C@@H](C)CC)n3)CC2)C1 ZINC000941467764 701549017 /nfs/dbraw/zinc/54/90/17/701549017.db2.gz JCTBQYZZKZCENF-HNNXBMFYSA-N 1 2 343.475 1.238 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000941841009 701910793 /nfs/dbraw/zinc/91/07/93/701910793.db2.gz WSYJQEKDJHONHI-UHFFFAOYSA-N 1 2 332.448 1.626 20 30 EDEDLO CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000995775201 701992464 /nfs/dbraw/zinc/99/24/64/701992464.db2.gz JYOIPIKNTWTTED-AWEZNQCLSA-N 1 2 328.416 1.687 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cscn2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966070 702261493 /nfs/dbraw/zinc/26/14/93/702261493.db2.gz GNQTVFHUIURRIO-RISCZKNCSA-N 1 2 329.429 1.983 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cscn2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966070 702261497 /nfs/dbraw/zinc/26/14/97/702261497.db2.gz GNQTVFHUIURRIO-RISCZKNCSA-N 1 2 329.429 1.983 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000944183701 702465402 /nfs/dbraw/zinc/46/54/02/702465402.db2.gz WATOYWUEYDJMRX-HUUCEWRRSA-N 1 2 344.459 1.765 20 30 EDEDLO CCc1ncncc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032190845 702478143 /nfs/dbraw/zinc/47/81/43/702478143.db2.gz YZYPXDMETFZQHL-UHFFFAOYSA-N 1 2 334.423 1.752 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)n2)C[C@H]1C ZINC000942131801 702635788 /nfs/dbraw/zinc/63/57/88/702635788.db2.gz ZXOOPMOKEYLUCP-ZBFHGGJFSA-N 1 2 342.447 1.443 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)n2)C[C@H]1C ZINC000942131801 702635791 /nfs/dbraw/zinc/63/57/91/702635791.db2.gz ZXOOPMOKEYLUCP-ZBFHGGJFSA-N 1 2 342.447 1.443 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H]([NH2+]Cc3nc(COC)no3)C(C)(C)C2)C1 ZINC000996258341 702667813 /nfs/dbraw/zinc/66/78/13/702667813.db2.gz XPIKBTNTZMIJOT-CYBMUJFWSA-N 1 2 348.447 1.899 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000942376782 702874076 /nfs/dbraw/zinc/87/40/76/702874076.db2.gz JMZJCAAPNNTNRL-KGLIPLIRSA-N 1 2 342.443 1.903 20 30 EDEDLO C#CCN1CC[NH+](C2CCC(NC(=O)c3[nH]nc(C)c3C)CC2)CC1 ZINC000996763550 703055568 /nfs/dbraw/zinc/05/55/68/703055568.db2.gz FVHACJALTPAMEB-UHFFFAOYSA-N 1 2 343.475 1.318 20 30 EDEDLO Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)c3c[nH]c(C#N)c3)CC2)o1 ZINC000997030607 703279910 /nfs/dbraw/zinc/27/99/10/703279910.db2.gz VLSNWJUDPVYQQL-LLVKDONJSA-N 1 2 342.403 1.608 20 30 EDEDLO O=C(C#CC1CC1)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864168 703771453 /nfs/dbraw/zinc/77/14/53/703771453.db2.gz DXTGCHHAZGWCRR-SHTZXODSSA-N 1 2 328.416 1.157 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(-c2ncc[nH]2)n1 ZINC001032528995 704021257 /nfs/dbraw/zinc/02/12/57/704021257.db2.gz OFFIYYHJBYKCJA-RYUDHWBXSA-N 1 2 327.413 1.455 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1csc(-c2ncc[nH]2)n1 ZINC001032528995 704021263 /nfs/dbraw/zinc/02/12/63/704021263.db2.gz OFFIYYHJBYKCJA-RYUDHWBXSA-N 1 2 327.413 1.455 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001033078199 704129710 /nfs/dbraw/zinc/12/97/10/704129710.db2.gz LVJAVKJMEXEKKS-GFCCVEGCSA-N 1 2 341.839 1.057 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2C(=O)CC(C)(C)C2=O)C1 ZINC001033078199 704129713 /nfs/dbraw/zinc/12/97/13/704129713.db2.gz LVJAVKJMEXEKKS-GFCCVEGCSA-N 1 2 341.839 1.057 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2OC)CC1 ZINC000946587371 704142973 /nfs/dbraw/zinc/14/29/73/704142973.db2.gz HNRGNOKEFYDKDS-HZPDHXFCSA-N 1 2 346.431 1.041 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001004361371 704330673 /nfs/dbraw/zinc/33/06/73/704330673.db2.gz CWHAHXRYEOKVAN-RGPZOAQRSA-N 1 2 344.459 1.813 20 30 EDEDLO C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004441182 704423779 /nfs/dbraw/zinc/42/37/79/704423779.db2.gz GYQNACXSHRWRDW-BMFZPTHFSA-N 1 2 332.448 1.128 20 30 EDEDLO C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004441182 704423780 /nfs/dbraw/zinc/42/37/80/704423780.db2.gz GYQNACXSHRWRDW-BMFZPTHFSA-N 1 2 332.448 1.128 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2nc(C)no2)CC1 ZINC000997754369 704659141 /nfs/dbraw/zinc/65/91/41/704659141.db2.gz MKWUDYAYEOGJTD-MAZHCROVSA-N 1 2 348.447 1.686 20 30 EDEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCCN(CC#N)CC1 ZINC000998125794 705383260 /nfs/dbraw/zinc/38/32/60/705383260.db2.gz KRJRYYXWQFRYRC-BZUAXINKSA-N 1 2 329.448 1.750 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(F)F)s2)C1 ZINC000998756680 706191843 /nfs/dbraw/zinc/19/18/43/706191843.db2.gz VLCQBRFSZSINCF-IUCAKERBSA-N 1 2 329.376 1.716 20 30 EDEDLO CCCc1noc(C[NH2+][C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998969292 706390005 /nfs/dbraw/zinc/39/00/05/706390005.db2.gz KQPRYGZQMCKYBK-CYBMUJFWSA-N 1 2 342.403 1.616 20 30 EDEDLO O=C(C#CC1CC1)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000946687108 707126572 /nfs/dbraw/zinc/12/65/72/707126572.db2.gz SKCSQUFLOBMMPP-HUUCEWRRSA-N 1 2 326.400 1.034 20 30 EDEDLO O=C(C#CC1CC1)N1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000946687108 707126577 /nfs/dbraw/zinc/12/65/77/707126577.db2.gz SKCSQUFLOBMMPP-HUUCEWRRSA-N 1 2 326.400 1.034 20 30 EDEDLO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C3)C1 ZINC001004816266 707349246 /nfs/dbraw/zinc/34/92/46/707349246.db2.gz IPHHZQTYQKUMHN-BMFZPTHFSA-N 1 2 342.443 1.865 20 30 EDEDLO CN(C(=O)[C@@]1(F)CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033368240 707698290 /nfs/dbraw/zinc/69/82/90/707698290.db2.gz IXOXWKZBHUNCQL-SJLPKXTDSA-N 1 2 331.391 1.720 20 30 EDEDLO CN(C(=O)[C@@]1(F)CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033368240 707698293 /nfs/dbraw/zinc/69/82/93/707698293.db2.gz IXOXWKZBHUNCQL-SJLPKXTDSA-N 1 2 331.391 1.720 20 30 EDEDLO Cc1nsc(NC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)c1C#N ZINC001060902855 707714883 /nfs/dbraw/zinc/71/48/83/707714883.db2.gz PBIZYBXPRNFGTP-GFCCVEGCSA-N 1 2 344.444 1.858 20 30 EDEDLO CCn1cc(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)cn1 ZINC001032726702 707718659 /nfs/dbraw/zinc/71/86/59/707718659.db2.gz POHYHKDALWOAAW-PMACEKPBSA-N 1 2 348.450 1.782 20 30 EDEDLO CCn1cc(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#Cc2ccccc2)cn1 ZINC001032726702 707718661 /nfs/dbraw/zinc/71/86/61/707718661.db2.gz POHYHKDALWOAAW-PMACEKPBSA-N 1 2 348.450 1.782 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](CNc2ccc(C#N)cn2)C1 ZINC001060906289 707746710 /nfs/dbraw/zinc/74/67/10/707746710.db2.gz QANLXOHZHBCHFH-OAHLLOKOSA-N 1 2 338.415 1.580 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001033497150 707992697 /nfs/dbraw/zinc/99/26/97/707992697.db2.gz KJJGIPIFTRLBFU-SQNIBIBYSA-N 1 2 346.475 1.917 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001033497150 707992699 /nfs/dbraw/zinc/99/26/99/707992699.db2.gz KJJGIPIFTRLBFU-SQNIBIBYSA-N 1 2 346.475 1.917 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033497405 707993115 /nfs/dbraw/zinc/99/31/15/707993115.db2.gz NQWITFHACXYWJS-ULQDDVLXSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033497405 707993117 /nfs/dbraw/zinc/99/31/17/707993117.db2.gz NQWITFHACXYWJS-ULQDDVLXSA-N 1 2 333.432 1.997 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)C2)nn1 ZINC001061004525 708150845 /nfs/dbraw/zinc/15/08/45/708150845.db2.gz PMSVSVVTCCAJQR-CQSZACIVSA-N 1 2 341.419 1.527 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001033567722 708213899 /nfs/dbraw/zinc/21/38/99/708213899.db2.gz LWSQAINYOHPAPT-QWHCGFSZSA-N 1 2 339.827 1.138 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCOC3)nn2)C1 ZINC001033567722 708213901 /nfs/dbraw/zinc/21/39/01/708213901.db2.gz LWSQAINYOHPAPT-QWHCGFSZSA-N 1 2 339.827 1.138 20 30 EDEDLO N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC001061021776 708247896 /nfs/dbraw/zinc/24/78/96/708247896.db2.gz MSPAVSBRZUKBCH-RRFJBIMHSA-N 1 2 336.399 1.740 20 30 EDEDLO N#Cc1ccc(NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC001061021776 708247902 /nfs/dbraw/zinc/24/79/02/708247902.db2.gz MSPAVSBRZUKBCH-RRFJBIMHSA-N 1 2 336.399 1.740 20 30 EDEDLO Cc1cnc(C[NH+]2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)o1 ZINC001005224449 708285351 /nfs/dbraw/zinc/28/53/51/708285351.db2.gz KEKIJZBNXJAYIC-UHFFFAOYSA-N 1 2 327.388 1.919 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ncnn2C)CC1 ZINC001001931251 708437507 /nfs/dbraw/zinc/43/75/07/708437507.db2.gz NACIBJPWBXTIHH-RDJZCZTQSA-N 1 2 347.463 1.125 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001033800971 708721233 /nfs/dbraw/zinc/72/12/33/708721233.db2.gz CSTHAUUWZJUJGW-CJNGLKHVSA-N 1 2 338.415 1.974 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001033800971 708721235 /nfs/dbraw/zinc/72/12/35/708721235.db2.gz CSTHAUUWZJUJGW-CJNGLKHVSA-N 1 2 338.415 1.974 20 30 EDEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)C(C)(F)F)CC2)c1 ZINC001002231448 708737396 /nfs/dbraw/zinc/73/73/96/708737396.db2.gz YXDVVFITLZKQOW-UHFFFAOYSA-N 1 2 349.381 1.842 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001033801572 708794497 /nfs/dbraw/zinc/79/44/97/708794497.db2.gz UZKNAXVSJRIXAF-CYBMUJFWSA-N 1 2 343.387 1.620 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001033801572 708794501 /nfs/dbraw/zinc/79/45/01/708794501.db2.gz UZKNAXVSJRIXAF-CYBMUJFWSA-N 1 2 343.387 1.620 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cc(C)n(C)n2)CC1 ZINC001002417599 708936866 /nfs/dbraw/zinc/93/68/66/708936866.db2.gz FSZXDUBRYBWELH-UHFFFAOYSA-N 1 2 341.253 1.831 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H](Nc2ncccc2C#N)C1 ZINC001061094479 709029573 /nfs/dbraw/zinc/02/95/73/709029573.db2.gz FZSFNFPLYWCMPT-HUUCEWRRSA-N 1 2 338.415 1.769 20 30 EDEDLO N#Cc1ccc(N[C@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001061096641 709041363 /nfs/dbraw/zinc/04/13/63/709041363.db2.gz VVHNBNOHFIMJLC-STQMWFEESA-N 1 2 325.376 1.084 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H](Nc2nccnc2C#N)C1 ZINC001061096796 709042051 /nfs/dbraw/zinc/04/20/51/709042051.db2.gz XVKDFBVSHBSYHN-STQMWFEESA-N 1 2 339.403 1.164 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H](Nc2nccnc2C#N)C1 ZINC001061098624 709057466 /nfs/dbraw/zinc/05/74/66/709057466.db2.gz OYDMLNHTIVSVRE-OLZOCXBDSA-N 1 2 339.403 1.462 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccnc3c2nnn3C)C1 ZINC001033933814 709108995 /nfs/dbraw/zinc/10/89/95/709108995.db2.gz LMKFRVQIXVCAKH-LBPRGKRZSA-N 1 2 348.838 1.652 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnc3c2nnn3C)C1 ZINC001033933814 709108998 /nfs/dbraw/zinc/10/89/98/709108998.db2.gz LMKFRVQIXVCAKH-LBPRGKRZSA-N 1 2 348.838 1.652 20 30 EDEDLO C=C(Cl)CN1CC[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001038549643 709126321 /nfs/dbraw/zinc/12/63/21/709126321.db2.gz BGHSNZAYKOKTSK-HOTGVXAUSA-N 1 2 341.883 1.430 20 30 EDEDLO C=C(Cl)CN1CC[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001038549643 709126322 /nfs/dbraw/zinc/12/63/22/709126322.db2.gz BGHSNZAYKOKTSK-HOTGVXAUSA-N 1 2 341.883 1.430 20 30 EDEDLO CCn1ccc(C[NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001002649217 709208622 /nfs/dbraw/zinc/20/86/22/709208622.db2.gz SHGMLVPDEMXNNL-UHFFFAOYSA-N 1 2 326.404 1.497 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001034052058 709280789 /nfs/dbraw/zinc/28/07/89/709280789.db2.gz FLMJVIBGACUOSV-UONOGXRCSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001034052058 709280791 /nfs/dbraw/zinc/28/07/91/709280791.db2.gz FLMJVIBGACUOSV-UONOGXRCSA-N 1 2 327.856 1.530 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@@H](NC(=O)CC)C2)c1 ZINC001034060333 709310867 /nfs/dbraw/zinc/31/08/67/709310867.db2.gz PDEGBYHXXALJNK-QGZVFWFLSA-N 1 2 327.428 1.987 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H](NC(=O)CC)C2)c1 ZINC001034060333 709310869 /nfs/dbraw/zinc/31/08/69/709310869.db2.gz PDEGBYHXXALJNK-QGZVFWFLSA-N 1 2 327.428 1.987 20 30 EDEDLO Cc1nnc([C@H](C)[N@@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001034165513 709438985 /nfs/dbraw/zinc/43/89/85/709438985.db2.gz WTXBHIIFTXLGJO-FZMZJTMJSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1nnc([C@H](C)[N@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC001034165513 709438986 /nfs/dbraw/zinc/43/89/86/709438986.db2.gz WTXBHIIFTXLGJO-FZMZJTMJSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1conc1C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034165936 709439601 /nfs/dbraw/zinc/43/96/01/709439601.db2.gz YDZZTOXASCOSKS-CQSZACIVSA-N 1 2 327.388 1.967 20 30 EDEDLO Cc1conc1C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034165936 709439603 /nfs/dbraw/zinc/43/96/03/709439603.db2.gz YDZZTOXASCOSKS-CQSZACIVSA-N 1 2 327.388 1.967 20 30 EDEDLO Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)co1 ZINC001034170745 709483923 /nfs/dbraw/zinc/48/39/23/709483923.db2.gz BDSKOTMISHQESJ-CQSZACIVSA-N 1 2 327.388 1.967 20 30 EDEDLO Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)co1 ZINC001034170745 709483928 /nfs/dbraw/zinc/48/39/28/709483928.db2.gz BDSKOTMISHQESJ-CQSZACIVSA-N 1 2 327.388 1.967 20 30 EDEDLO CN(c1ccc(C#N)nn1)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001061202612 709646331 /nfs/dbraw/zinc/64/63/31/709646331.db2.gz FJQCXGFQPHKRND-CQSZACIVSA-N 1 2 339.403 1.131 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001034357652 709821402 /nfs/dbraw/zinc/82/14/02/709821402.db2.gz GPSFBVWBSULHSS-IGQOVBAYSA-N 1 2 343.265 1.758 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001034357652 709821407 /nfs/dbraw/zinc/82/14/07/709821407.db2.gz GPSFBVWBSULHSS-IGQOVBAYSA-N 1 2 343.265 1.758 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC001003030164 709838073 /nfs/dbraw/zinc/83/80/73/709838073.db2.gz HQPTYZUEMZLLLP-UHFFFAOYSA-N 1 2 329.404 1.760 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nnc(C)o2)C1 ZINC001034438864 710015197 /nfs/dbraw/zinc/01/51/97/710015197.db2.gz KLSWOPKTHCYRIS-VYDXJSESSA-N 1 2 348.447 1.830 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nnc(C)o2)C1 ZINC001034438864 710015202 /nfs/dbraw/zinc/01/52/02/710015202.db2.gz KLSWOPKTHCYRIS-VYDXJSESSA-N 1 2 348.447 1.830 20 30 EDEDLO N#Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)c3nnc[nH]3)C2)ccc1F ZINC001034444200 710025516 /nfs/dbraw/zinc/02/55/16/710025516.db2.gz MSGDLIWCCJCOMW-AWEZNQCLSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)c3nnc[nH]3)C2)ccc1F ZINC001034444200 710025522 /nfs/dbraw/zinc/02/55/22/710025522.db2.gz MSGDLIWCCJCOMW-AWEZNQCLSA-N 1 2 342.378 1.600 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001061268458 710377011 /nfs/dbraw/zinc/37/70/11/710377011.db2.gz USZHNBYGRCDZQC-OAGGEKHMSA-N 1 2 330.432 1.803 20 30 EDEDLO CN(c1cnc(C#N)cn1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001061281286 710421844 /nfs/dbraw/zinc/42/18/44/710421844.db2.gz ULKMPVBAAHPSOH-OAHLLOKOSA-N 1 2 339.403 1.131 20 30 EDEDLO CN(c1cnc(C#N)cn1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001061281286 710421846 /nfs/dbraw/zinc/42/18/46/710421846.db2.gz ULKMPVBAAHPSOH-OAHLLOKOSA-N 1 2 339.403 1.131 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2n[nH]cc2F)CC1 ZINC001003576036 710426849 /nfs/dbraw/zinc/42/68/49/710426849.db2.gz ORFNKNDGDIKDJH-UHFFFAOYSA-N 1 2 331.189 1.652 20 30 EDEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)C#N ZINC001003704701 710503078 /nfs/dbraw/zinc/50/30/78/710503078.db2.gz BXRXKJCHWFTTIE-MYPMTAMASA-N 1 2 342.399 1.040 20 30 EDEDLO CN(C(=O)c1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032903636 710689999 /nfs/dbraw/zinc/68/99/99/710689999.db2.gz LTGZKHZZIAZVKR-INIZCTEOSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1cnn(C)c1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032903636 710690006 /nfs/dbraw/zinc/69/00/06/710690006.db2.gz LTGZKHZZIAZVKR-INIZCTEOSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1cc[nH]n1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032923051 710800639 /nfs/dbraw/zinc/80/06/39/710800639.db2.gz BQKFGRZREZQEMB-AWEZNQCLSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1cc[nH]n1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032923051 710800642 /nfs/dbraw/zinc/80/06/42/710800642.db2.gz BQKFGRZREZQEMB-AWEZNQCLSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1ccn[nH]1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032923051 710800645 /nfs/dbraw/zinc/80/06/45/710800645.db2.gz BQKFGRZREZQEMB-AWEZNQCLSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1ccn[nH]1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032923051 710800648 /nfs/dbraw/zinc/80/06/48/710800648.db2.gz BQKFGRZREZQEMB-AWEZNQCLSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)[C@H]1CCOC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032944399 710920459 /nfs/dbraw/zinc/92/04/59/710920459.db2.gz XLLSCAOTQNEVDZ-WMLDXEAASA-N 1 2 331.391 1.767 20 30 EDEDLO CN(C(=O)[C@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032944399 710920462 /nfs/dbraw/zinc/92/04/62/710920462.db2.gz XLLSCAOTQNEVDZ-WMLDXEAASA-N 1 2 331.391 1.767 20 30 EDEDLO C#Cc1ccc(C(=O)NCc2ccc(C[NH2+]Cc3cnon3)cc2)cn1 ZINC001034828935 711233373 /nfs/dbraw/zinc/23/33/73/711233373.db2.gz ZOVXIGOTRIYIET-UHFFFAOYSA-N 1 2 347.378 1.666 20 30 EDEDLO CN(C(=O)c1cncnc1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033033056 711493161 /nfs/dbraw/zinc/49/31/61/711493161.db2.gz OUUYFAPBUUFQAR-SFHVURJKSA-N 1 2 338.386 1.814 20 30 EDEDLO CN(C(=O)c1cncnc1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033033056 711493162 /nfs/dbraw/zinc/49/31/62/711493162.db2.gz OUUYFAPBUUFQAR-SFHVURJKSA-N 1 2 338.386 1.814 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cncnc2)C1 ZINC001033040716 711522468 /nfs/dbraw/zinc/52/24/68/711522468.db2.gz DEBYEUISYBBVLN-ZDUSSCGKSA-N 1 2 339.237 1.460 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cncnc2)C1 ZINC001033040716 711522469 /nfs/dbraw/zinc/52/24/69/711522469.db2.gz DEBYEUISYBBVLN-ZDUSSCGKSA-N 1 2 339.237 1.460 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ncnc3[nH]ccc32)CC1 ZINC001004476550 711856468 /nfs/dbraw/zinc/85/64/68/711856468.db2.gz LRHARRNWEOHJDI-HNNXBMFYSA-N 1 2 338.415 1.750 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ncnc3[nH]ccc32)CC1 ZINC001004476550 711856470 /nfs/dbraw/zinc/85/64/70/711856470.db2.gz LRHARRNWEOHJDI-HNNXBMFYSA-N 1 2 338.415 1.750 20 30 EDEDLO Cc1cc(=O)[nH]cc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004539378 711963640 /nfs/dbraw/zinc/96/36/40/711963640.db2.gz FBZUKEPJJKRUFD-INIZCTEOSA-N 1 2 328.416 1.936 20 30 EDEDLO Cc1cc(=O)[nH]cc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004539378 711963641 /nfs/dbraw/zinc/96/36/41/711963641.db2.gz FBZUKEPJJKRUFD-INIZCTEOSA-N 1 2 328.416 1.936 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn(CC3CC3)nn2)CC1 ZINC001004584890 712018221 /nfs/dbraw/zinc/01/82/21/712018221.db2.gz BPIAAZHRJYITMT-QGZVFWFLSA-N 1 2 342.447 1.528 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn(CC3CC3)nn2)CC1 ZINC001004584890 712018222 /nfs/dbraw/zinc/01/82/22/712018222.db2.gz BPIAAZHRJYITMT-QGZVFWFLSA-N 1 2 342.447 1.528 20 30 EDEDLO C[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)N1CCCCC1=O ZINC001004619489 712080272 /nfs/dbraw/zinc/08/02/72/712080272.db2.gz KVQOOTUWPABTLR-WBVHZDCISA-N 1 2 346.475 1.614 20 30 EDEDLO C[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)N1CCCCC1=O ZINC001004619489 712080273 /nfs/dbraw/zinc/08/02/73/712080273.db2.gz KVQOOTUWPABTLR-WBVHZDCISA-N 1 2 346.475 1.614 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001033150320 712102474 /nfs/dbraw/zinc/10/24/74/712102474.db2.gz CMZJAMGLKUUIME-LBPRGKRZSA-N 1 2 349.818 1.916 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2NC(=O)CO3)C1 ZINC001033150320 712102476 /nfs/dbraw/zinc/10/24/76/712102476.db2.gz CMZJAMGLKUUIME-LBPRGKRZSA-N 1 2 349.818 1.916 20 30 EDEDLO CNC(=O)c1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000176265638 529946332 /nfs/dbraw/zinc/94/63/32/529946332.db2.gz VCZSAHLUBKKNRV-UHFFFAOYSA-N 1 2 330.432 1.094 20 30 EDEDLO O=C(CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)N1CCCCC1 ZINC000329428881 539436374 /nfs/dbraw/zinc/43/63/74/539436374.db2.gz HDVVQMDFVPLEPU-UHFFFAOYSA-N 1 2 345.443 1.836 20 30 EDEDLO O=C(CNC(=O)N1CCn2cc[nH+]c2C1)N1CCc2ccccc2C1 ZINC000329834677 539467875 /nfs/dbraw/zinc/46/78/75/539467875.db2.gz LEHNAZIIZQZRJZ-UHFFFAOYSA-N 1 2 339.399 1.198 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nc(CO)cs2)cc1 ZINC000563137223 306319877 /nfs/dbraw/zinc/31/98/77/306319877.db2.gz BSMMTTCWAROTOA-UHFFFAOYSA-N 1 2 337.426 1.071 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000354775385 283100367 /nfs/dbraw/zinc/10/03/67/283100367.db2.gz VHGKMMFJPJNIPB-LLVKDONJSA-N 1 2 327.319 1.033 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000354775385 283100371 /nfs/dbraw/zinc/10/03/71/283100371.db2.gz VHGKMMFJPJNIPB-LLVKDONJSA-N 1 2 327.319 1.033 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000342275665 291066745 /nfs/dbraw/zinc/06/67/45/291066745.db2.gz YYKDDDXJSCTDTR-WCQYABFASA-N 1 2 334.807 1.542 20 30 EDEDLO CN(C)C(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000029925535 202192708 /nfs/dbraw/zinc/19/27/08/202192708.db2.gz CCYMOCYGYQBCDY-UHFFFAOYSA-N 1 2 335.433 1.248 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)Nc1sccc1C#N ZINC000078720433 236973126 /nfs/dbraw/zinc/97/31/26/236973126.db2.gz DNCCIBWDXJWUBK-UHFFFAOYSA-N 1 2 347.444 1.106 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)N1CCc2ccccc21 ZINC000176775679 237353318 /nfs/dbraw/zinc/35/33/18/237353318.db2.gz MRPBGTADXNJEGI-UHFFFAOYSA-N 1 2 328.416 1.717 20 30 EDEDLO Cc1cccc(OC[C@@H](O)CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000177028093 237371360 /nfs/dbraw/zinc/37/13/60/237371360.db2.gz YZHFAOPZTMYTTD-SFHVURJKSA-N 1 2 347.459 1.283 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)Cc2ccccc2)CC1 ZINC000112904223 201066731 /nfs/dbraw/zinc/06/67/31/201066731.db2.gz ICTGKFWWTCYVIY-QGZVFWFLSA-N 1 2 341.455 1.149 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)Cc2ccccc2)CC1 ZINC000112904223 201066734 /nfs/dbraw/zinc/06/67/34/201066734.db2.gz ICTGKFWWTCYVIY-QGZVFWFLSA-N 1 2 341.455 1.149 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000079496740 201205064 /nfs/dbraw/zinc/20/50/64/201205064.db2.gz SLBXFTNIASBUPD-GJZGRUSLSA-N 1 2 336.505 1.684 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000274325059 201267592 /nfs/dbraw/zinc/26/75/92/201267592.db2.gz DCYSMDLHVZBOSW-UHFFFAOYSA-N 1 2 331.416 1.032 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000274325059 201267595 /nfs/dbraw/zinc/26/75/95/201267595.db2.gz DCYSMDLHVZBOSW-UHFFFAOYSA-N 1 2 331.416 1.032 20 30 EDEDLO C#CC[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000276945478 201299386 /nfs/dbraw/zinc/29/93/86/201299386.db2.gz KJMQEQRWPFSZCA-UHFFFAOYSA-N 1 2 334.445 1.658 20 30 EDEDLO C#CC[N@H+](C)Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1 ZINC000276945478 201299391 /nfs/dbraw/zinc/29/93/91/201299391.db2.gz KJMQEQRWPFSZCA-UHFFFAOYSA-N 1 2 334.445 1.658 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@](O)(c2nc(C3CC3)no2)C1 ZINC000277502918 201303694 /nfs/dbraw/zinc/30/36/94/201303694.db2.gz RYUJTPKUXYHCSZ-KRWDZBQOSA-N 1 2 334.420 1.265 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@](O)(c2nc(C3CC3)no2)C1 ZINC000277502918 201303698 /nfs/dbraw/zinc/30/36/98/201303698.db2.gz RYUJTPKUXYHCSZ-KRWDZBQOSA-N 1 2 334.420 1.265 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000106582651 204205440 /nfs/dbraw/zinc/20/54/40/204205440.db2.gz XDJMXVWAEXSSTI-OAHLLOKOSA-N 1 2 329.448 1.336 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](CCO)Cc1cccnc1 ZINC000268693156 249374655 /nfs/dbraw/zinc/37/46/55/249374655.db2.gz PJPAGJNSRBOUQA-OAHLLOKOSA-N 1 2 330.432 1.607 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](CCO)Cc1cccnc1 ZINC000268693156 249374658 /nfs/dbraw/zinc/37/46/58/249374658.db2.gz PJPAGJNSRBOUQA-OAHLLOKOSA-N 1 2 330.432 1.607 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCO[C@@H]([C@H]4CCCO4)C3)C2=O)cc1 ZINC000247471842 139149712 /nfs/dbraw/zinc/14/97/12/139149712.db2.gz VIYCUANPAKLYAF-RCCFBDPRSA-N 1 2 341.411 1.543 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCO[C@@H]([C@H]4CCCO4)C3)C2=O)cc1 ZINC000247471842 139149713 /nfs/dbraw/zinc/14/97/13/139149713.db2.gz VIYCUANPAKLYAF-RCCFBDPRSA-N 1 2 341.411 1.543 20 30 EDEDLO C=CCOC[C@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)C(=O)OC ZINC000361113631 250170913 /nfs/dbraw/zinc/17/09/13/250170913.db2.gz MULMGVNPGYDUOU-HNNXBMFYSA-N 1 2 340.464 1.747 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368913429 250201994 /nfs/dbraw/zinc/20/19/94/250201994.db2.gz UWTOCMFNZJUFCO-MRXNPFEDSA-N 1 2 337.464 1.124 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368913429 250201995 /nfs/dbraw/zinc/20/19/95/250201995.db2.gz UWTOCMFNZJUFCO-MRXNPFEDSA-N 1 2 337.464 1.124 20 30 EDEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000375171484 250279055 /nfs/dbraw/zinc/27/90/55/250279055.db2.gz PMJJLDKRXMBXAP-YJBOKZPZSA-N 1 2 346.431 1.691 20 30 EDEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000375171484 250279059 /nfs/dbraw/zinc/27/90/59/250279059.db2.gz PMJJLDKRXMBXAP-YJBOKZPZSA-N 1 2 346.431 1.691 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)c1C#N ZINC000174569205 207031475 /nfs/dbraw/zinc/03/14/75/207031475.db2.gz PHKABTPMZSRGCW-UHFFFAOYSA-N 1 2 344.415 1.032 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)c1C#N ZINC000175128794 207096548 /nfs/dbraw/zinc/09/65/48/207096548.db2.gz CZTSMRAWOCXGJF-UHFFFAOYSA-N 1 2 339.399 1.974 20 30 EDEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)cs1 ZINC000175584841 207140276 /nfs/dbraw/zinc/14/02/76/207140276.db2.gz CIBDAJXLVOCABI-UHFFFAOYSA-N 1 2 329.429 1.999 20 30 EDEDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)cs1 ZINC000175584841 207140281 /nfs/dbraw/zinc/14/02/81/207140281.db2.gz CIBDAJXLVOCABI-UHFFFAOYSA-N 1 2 329.429 1.999 20 30 EDEDLO COc1cc(CNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)ccc1C#N ZINC000418199955 251356537 /nfs/dbraw/zinc/35/65/37/251356537.db2.gz OUSUTTSBFFBHPN-ZDUSSCGKSA-N 1 2 338.358 1.611 20 30 EDEDLO C=CCn1c([C@@H]2CCCS2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000424121164 252129391 /nfs/dbraw/zinc/12/93/91/252129391.db2.gz HLHVLKFPVZAZAJ-AWEZNQCLSA-N 1 2 337.493 1.801 20 30 EDEDLO C=CCCn1cc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)nn1 ZINC000424559464 252257448 /nfs/dbraw/zinc/25/74/48/252257448.db2.gz KMSVZDLAEHGTJQ-UHFFFAOYSA-N 1 2 342.403 1.016 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000330567289 285038679 /nfs/dbraw/zinc/03/86/79/285038679.db2.gz LKWVOCKDUQMEMM-YYIAUSFCSA-N 1 2 337.464 1.246 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000330567289 285038685 /nfs/dbraw/zinc/03/86/85/285038685.db2.gz LKWVOCKDUQMEMM-YYIAUSFCSA-N 1 2 337.464 1.246 20 30 EDEDLO CC[N@H+](Cc1nc(N)nc(N(C)C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000083168724 285128266 /nfs/dbraw/zinc/12/82/66/285128266.db2.gz RSTWUADESZXZPN-GFCCVEGCSA-N 1 2 325.420 1.975 20 30 EDEDLO CC[N@@H+](Cc1nc(N)nc(N(C)C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000083168724 285128270 /nfs/dbraw/zinc/12/82/70/285128270.db2.gz RSTWUADESZXZPN-GFCCVEGCSA-N 1 2 325.420 1.975 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)CSCC#N)C1 ZINC000442846617 254568184 /nfs/dbraw/zinc/56/81/84/254568184.db2.gz WFZLTGAOCFWKDG-HNNXBMFYSA-N 1 2 327.450 1.165 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCn3c(Cl)ccc3[C@H]2C)CC1 ZINC000491622559 255132544 /nfs/dbraw/zinc/13/25/44/255132544.db2.gz PGNTXKPOSKIFJH-CQSZACIVSA-N 1 2 334.851 1.296 20 30 EDEDLO COCCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000189647295 533196934 /nfs/dbraw/zinc/19/69/34/533196934.db2.gz JIXXUMXCDSXNGN-AWEZNQCLSA-N 1 2 337.807 1.887 20 30 EDEDLO COCCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000189647295 533196937 /nfs/dbraw/zinc/19/69/37/533196937.db2.gz JIXXUMXCDSXNGN-AWEZNQCLSA-N 1 2 337.807 1.887 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)s1 ZINC000570584150 306545959 /nfs/dbraw/zinc/54/59/59/306545959.db2.gz VEHPJBPMXTXEEU-ZDUSSCGKSA-N 1 2 334.426 1.350 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2sccc2C#N)C1 ZINC000328639496 258024237 /nfs/dbraw/zinc/02/42/37/258024237.db2.gz PPAXFFJFUCAONY-CYBMUJFWSA-N 1 2 327.413 1.756 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2sccc2C#N)C1 ZINC000328639496 258024239 /nfs/dbraw/zinc/02/42/39/258024239.db2.gz PPAXFFJFUCAONY-CYBMUJFWSA-N 1 2 327.413 1.756 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000264321879 139397020 /nfs/dbraw/zinc/39/70/20/139397020.db2.gz VLZJAQYSFCPDHR-ZIAGYGMSSA-N 1 2 347.415 1.171 20 30 EDEDLO C=CCCCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000274680879 135634112 /nfs/dbraw/zinc/63/41/12/135634112.db2.gz RLGRQYAUYVPGRQ-UHFFFAOYSA-N 1 2 343.435 1.551 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H]1COC ZINC000339289812 142005288 /nfs/dbraw/zinc/00/52/88/142005288.db2.gz HVIKXSLEXUVPOH-HNNXBMFYSA-N 1 2 348.447 1.672 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H]1COC ZINC000339289812 142005290 /nfs/dbraw/zinc/00/52/90/142005290.db2.gz HVIKXSLEXUVPOH-HNNXBMFYSA-N 1 2 348.447 1.672 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000354629306 149896784 /nfs/dbraw/zinc/89/67/84/149896784.db2.gz BSMMUTBERPSDFT-CQSZACIVSA-N 1 2 339.403 1.070 20 30 EDEDLO N#Cc1cccc(N2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)n1 ZINC000354929778 150038245 /nfs/dbraw/zinc/03/82/45/150038245.db2.gz ZYAYOJWRZSZRPP-UHFFFAOYSA-N 1 2 332.367 1.563 20 30 EDEDLO CNc1ccc(C#N)cc1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000355644420 150348417 /nfs/dbraw/zinc/34/84/17/150348417.db2.gz OVBJLKVJUIOOFC-HNNXBMFYSA-N 1 2 326.360 1.009 20 30 EDEDLO CNc1ccc(C#N)cc1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000355644420 150348419 /nfs/dbraw/zinc/34/84/19/150348419.db2.gz OVBJLKVJUIOOFC-HNNXBMFYSA-N 1 2 326.360 1.009 20 30 EDEDLO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)nn1-c1cccc(C#N)c1 ZINC000356502353 150666544 /nfs/dbraw/zinc/66/65/44/150666544.db2.gz CRIHXCINWOKOCU-MRXNPFEDSA-N 1 2 339.399 1.113 20 30 EDEDLO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)nn1-c1cccc(C#N)c1 ZINC000356502353 150666547 /nfs/dbraw/zinc/66/65/47/150666547.db2.gz CRIHXCINWOKOCU-MRXNPFEDSA-N 1 2 339.399 1.113 20 30 EDEDLO COc1cc(CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)ccc1C#N ZINC000357965744 151214165 /nfs/dbraw/zinc/21/41/65/151214165.db2.gz XRABGTDPTKFXMX-ZDUSSCGKSA-N 1 2 332.404 1.087 20 30 EDEDLO COc1cc(CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)ccc1C#N ZINC000357965744 151214168 /nfs/dbraw/zinc/21/41/68/151214168.db2.gz XRABGTDPTKFXMX-ZDUSSCGKSA-N 1 2 332.404 1.087 20 30 EDEDLO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1Cl ZINC000363676445 153026679 /nfs/dbraw/zinc/02/66/79/153026679.db2.gz POZFRASAHIQQOE-OAHLLOKOSA-N 1 2 336.754 1.525 20 30 EDEDLO N#Cc1c(F)ccc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1Cl ZINC000363676445 153026681 /nfs/dbraw/zinc/02/66/81/153026681.db2.gz POZFRASAHIQQOE-OAHLLOKOSA-N 1 2 336.754 1.525 20 30 EDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000367801638 154277466 /nfs/dbraw/zinc/27/74/66/154277466.db2.gz BNWFIHMYDQJKFH-GFCCVEGCSA-N 1 2 334.401 1.528 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccncc3C#N)CC2)n1 ZINC000372229902 156279135 /nfs/dbraw/zinc/27/91/35/156279135.db2.gz BDJZKKIHVXDJQJ-ZDUSSCGKSA-N 1 2 342.403 1.756 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccncc3C#N)CC2)n1 ZINC000372229902 156279140 /nfs/dbraw/zinc/27/91/40/156279140.db2.gz BDJZKKIHVXDJQJ-ZDUSSCGKSA-N 1 2 342.403 1.756 20 30 EDEDLO C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1c1ccc(C#N)cc1F ZINC000374154538 157168896 /nfs/dbraw/zinc/16/88/96/157168896.db2.gz XSFJWKYIORTSOG-GDBMZVCRSA-N 1 2 332.423 1.538 20 30 EDEDLO C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1c1ccc(C#N)cc1F ZINC000374154538 157168897 /nfs/dbraw/zinc/16/88/97/157168897.db2.gz XSFJWKYIORTSOG-GDBMZVCRSA-N 1 2 332.423 1.538 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000377364243 157923487 /nfs/dbraw/zinc/92/34/87/157923487.db2.gz RYYIRHWQFQHRQL-OAHLLOKOSA-N 1 2 330.413 1.611 20 30 EDEDLO Cc1ccn2cc(CNS(=O)(=O)c3cncc(C#N)c3)[nH+]c2c1 ZINC000352322188 162117111 /nfs/dbraw/zinc/11/71/11/162117111.db2.gz IULMYATXPVBTEI-UHFFFAOYSA-N 1 2 327.369 1.388 20 30 EDEDLO CC(C)[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nncn1C ZINC000352484296 162206002 /nfs/dbraw/zinc/20/60/02/162206002.db2.gz NMLBSLLHUGSLJL-MRXNPFEDSA-N 1 2 326.404 1.290 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000052929523 287223877 /nfs/dbraw/zinc/22/38/77/287223877.db2.gz PPDPFUSJEZDEJH-CQSZACIVSA-N 1 2 346.456 1.796 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000052929523 287223879 /nfs/dbraw/zinc/22/38/79/287223879.db2.gz PPDPFUSJEZDEJH-CQSZACIVSA-N 1 2 346.456 1.796 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cn1 ZINC000171078185 226876304 /nfs/dbraw/zinc/87/63/04/226876304.db2.gz DUAISPYPQVCQSV-UHFFFAOYSA-N 1 2 339.380 1.617 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCOC3)CC2)cc1 ZINC000288447798 270010073 /nfs/dbraw/zinc/01/00/73/270010073.db2.gz REPBKYGOYMLZCZ-QGZVFWFLSA-N 1 2 328.416 1.564 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000491733956 270014674 /nfs/dbraw/zinc/01/46/74/270014674.db2.gz NJEXQBCCYXEMCH-CYBMUJFWSA-N 1 2 330.432 1.905 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000491733956 270014675 /nfs/dbraw/zinc/01/46/75/270014675.db2.gz NJEXQBCCYXEMCH-CYBMUJFWSA-N 1 2 330.432 1.905 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)COc1ccccc1C#N ZINC000285785588 267080426 /nfs/dbraw/zinc/08/04/26/267080426.db2.gz LZGKIBYUDKLBKO-GDBMZVCRSA-N 1 2 329.400 1.259 20 30 EDEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000425915378 267226144 /nfs/dbraw/zinc/22/61/44/267226144.db2.gz JSFIBGJAUGZMKE-HNNXBMFYSA-N 1 2 331.416 1.888 20 30 EDEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000425915378 267226145 /nfs/dbraw/zinc/22/61/45/267226145.db2.gz JSFIBGJAUGZMKE-HNNXBMFYSA-N 1 2 331.416 1.888 20 30 EDEDLO COC(=O)C1([NH2+]CCC(=O)Nc2cccc(C#N)c2)CCOCC1 ZINC000411785180 267357790 /nfs/dbraw/zinc/35/77/90/267357790.db2.gz BEFVUOSUKGTJJB-UHFFFAOYSA-N 1 2 331.372 1.199 20 30 EDEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000419350166 267365779 /nfs/dbraw/zinc/36/57/79/267365779.db2.gz VQAAWYSBFWPABR-MRXNPFEDSA-N 1 2 340.383 1.065 20 30 EDEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000419350166 267365782 /nfs/dbraw/zinc/36/57/82/267365782.db2.gz VQAAWYSBFWPABR-MRXNPFEDSA-N 1 2 340.383 1.065 20 30 EDEDLO Cc1cc(S(=O)(=O)NC[C@@H]2CC[NH2+]CC2(F)F)ccc1C#N ZINC000420446043 268016349 /nfs/dbraw/zinc/01/63/49/268016349.db2.gz OALPDTSUAGDXQK-LBPRGKRZSA-N 1 2 329.372 1.390 20 30 EDEDLO Cn1cc(C[N@H+](CCN2CCOCC2)Cc2ccco2)cc1C#N ZINC000449762580 268127096 /nfs/dbraw/zinc/12/70/96/268127096.db2.gz JKSLKRMZEXMLJI-UHFFFAOYSA-N 1 2 328.416 1.824 20 30 EDEDLO Cn1cc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)cc1C#N ZINC000449762580 268127100 /nfs/dbraw/zinc/12/71/00/268127100.db2.gz JKSLKRMZEXMLJI-UHFFFAOYSA-N 1 2 328.416 1.824 20 30 EDEDLO N#Cc1cc(Br)cc(S(=O)(=O)NCC[NH+]2CCC2)c1 ZINC000443739101 268173562 /nfs/dbraw/zinc/17/35/62/268173562.db2.gz WGEDIDOLWWCDLD-UHFFFAOYSA-N 1 2 344.234 1.305 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)c(OC(F)F)c1 ZINC000437145026 268217629 /nfs/dbraw/zinc/21/76/29/268217629.db2.gz SKJKECCEWGHVRK-GFCCVEGCSA-N 1 2 345.371 1.413 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c(OC(F)F)c1 ZINC000437145026 268217632 /nfs/dbraw/zinc/21/76/32/268217632.db2.gz SKJKECCEWGHVRK-GFCCVEGCSA-N 1 2 345.371 1.413 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000528505221 268301927 /nfs/dbraw/zinc/30/19/27/268301927.db2.gz JEYKHAHMQSLNLE-JFIYKMOQSA-N 1 2 332.400 1.178 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000528505221 268301928 /nfs/dbraw/zinc/30/19/28/268301928.db2.gz JEYKHAHMQSLNLE-JFIYKMOQSA-N 1 2 332.400 1.178 20 30 EDEDLO N#Cc1nc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)ccc1Cl ZINC000301501296 268325606 /nfs/dbraw/zinc/32/56/06/268325606.db2.gz DYAOJYJNNANVSA-UHFFFAOYSA-N 1 2 328.763 1.681 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ncccc3F)CC2)cc1 ZINC000279690302 273318903 /nfs/dbraw/zinc/31/89/03/273318903.db2.gz FUQOBJWNEGLQOS-UHFFFAOYSA-N 1 2 338.386 1.979 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)S1 ZINC000268435861 276137610 /nfs/dbraw/zinc/13/76/10/276137610.db2.gz BZMCLBHATURIBK-UHFFFAOYSA-N 1 2 346.416 1.865 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1(C)C ZINC000370228218 277100388 /nfs/dbraw/zinc/10/03/88/277100388.db2.gz UDJOLXWQQPGLAN-QWHCGFSZSA-N 1 2 347.440 1.856 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1(C)C ZINC000370228218 277100389 /nfs/dbraw/zinc/10/03/89/277100389.db2.gz UDJOLXWQQPGLAN-QWHCGFSZSA-N 1 2 347.440 1.856 20 30 EDEDLO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000420993498 278180203 /nfs/dbraw/zinc/18/02/03/278180203.db2.gz ZAYULZFVWKFBCF-HOCLYGCPSA-N 1 2 328.416 1.532 20 30 EDEDLO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000420993498 278180206 /nfs/dbraw/zinc/18/02/06/278180206.db2.gz ZAYULZFVWKFBCF-HOCLYGCPSA-N 1 2 328.416 1.532 20 30 EDEDLO Cc1nnc([C@H]2CC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)[nH]1 ZINC000334059314 293391314 /nfs/dbraw/zinc/39/13/14/293391314.db2.gz XTBLCTHRRHEVNA-AWEZNQCLSA-N 1 2 330.436 1.587 20 30 EDEDLO Cc1nnc([C@H]2CC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)[nH]1 ZINC000334059314 293391315 /nfs/dbraw/zinc/39/13/15/293391315.db2.gz XTBLCTHRRHEVNA-AWEZNQCLSA-N 1 2 330.436 1.587 20 30 EDEDLO Cc1n[nH]c([C@H]2CC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n1 ZINC000334059314 293391317 /nfs/dbraw/zinc/39/13/17/293391317.db2.gz XTBLCTHRRHEVNA-AWEZNQCLSA-N 1 2 330.436 1.587 20 30 EDEDLO Cc1n[nH]c([C@H]2CC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n1 ZINC000334059314 293391318 /nfs/dbraw/zinc/39/13/18/293391318.db2.gz XTBLCTHRRHEVNA-AWEZNQCLSA-N 1 2 330.436 1.587 20 30 EDEDLO Cc1nc([C@H]2CC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n[nH]1 ZINC000334059314 293391320 /nfs/dbraw/zinc/39/13/20/293391320.db2.gz XTBLCTHRRHEVNA-AWEZNQCLSA-N 1 2 330.436 1.587 20 30 EDEDLO Cc1nc([C@H]2CC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n[nH]1 ZINC000334059314 293391322 /nfs/dbraw/zinc/39/13/22/293391322.db2.gz XTBLCTHRRHEVNA-AWEZNQCLSA-N 1 2 330.436 1.587 20 30 EDEDLO COc1ccc(C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)cc1OCCCC#N ZINC000414578551 447314743 /nfs/dbraw/zinc/31/47/43/447314743.db2.gz IEIVVSMBJBTVIP-RDTXWAMCSA-N 1 2 334.416 1.959 20 30 EDEDLO COc1ccc(C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)cc1OCCCC#N ZINC000414578551 447314749 /nfs/dbraw/zinc/31/47/49/447314749.db2.gz IEIVVSMBJBTVIP-RDTXWAMCSA-N 1 2 334.416 1.959 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCC4(C3)OCCO4)C2=O)cc1 ZINC000182913335 303193647 /nfs/dbraw/zinc/19/36/47/303193647.db2.gz AEWDCSRFRUJKJN-KRWDZBQOSA-N 1 2 341.411 1.893 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC4(C3)OCCO4)C2=O)cc1 ZINC000182913335 303193648 /nfs/dbraw/zinc/19/36/48/303193648.db2.gz AEWDCSRFRUJKJN-KRWDZBQOSA-N 1 2 341.411 1.893 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000352686344 303200528 /nfs/dbraw/zinc/20/05/28/303200528.db2.gz NGFXHEUKJRJCMA-MGPQQGTHSA-N 1 2 341.333 1.577 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000352686344 303200529 /nfs/dbraw/zinc/20/05/29/303200529.db2.gz NGFXHEUKJRJCMA-MGPQQGTHSA-N 1 2 341.333 1.577 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000377827343 447375648 /nfs/dbraw/zinc/37/56/48/447375648.db2.gz VRGSJORSVOTQHK-UHFFFAOYSA-N 1 2 339.334 1.938 20 30 EDEDLO C#Cc1cccc(NC(=O)N2CCC[N@@H+](CC(=O)NC(C)C)CC2)c1 ZINC000043983895 440815939 /nfs/dbraw/zinc/81/59/39/440815939.db2.gz LYKDCXHHORYANN-UHFFFAOYSA-N 1 2 342.443 1.732 20 30 EDEDLO C#Cc1cccc(NC(=O)N2CCC[N@H+](CC(=O)NC(C)C)CC2)c1 ZINC000043983895 440815942 /nfs/dbraw/zinc/81/59/42/440815942.db2.gz LYKDCXHHORYANN-UHFFFAOYSA-N 1 2 342.443 1.732 20 30 EDEDLO C#CC[NH+]1CCN(Cn2ncn(-c3ccccc3OC)c2=S)CC1 ZINC000044756746 440885676 /nfs/dbraw/zinc/88/56/76/440885676.db2.gz REOCZTXKYCHNGX-UHFFFAOYSA-N 1 2 343.456 1.620 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000007016483 441030946 /nfs/dbraw/zinc/03/09/46/441030946.db2.gz UHMYXMVOZNTAFI-CRAIPNDOSA-N 1 2 329.448 1.647 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000046577543 441114772 /nfs/dbraw/zinc/11/47/72/441114772.db2.gz IHCJLCJLURNYIH-ZDUSSCGKSA-N 1 2 345.403 1.503 20 30 EDEDLO N#CCCCOc1cccc(NC(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000070752416 441117938 /nfs/dbraw/zinc/11/79/38/441117938.db2.gz GMNSRDTUKJTZTE-UHFFFAOYSA-N 1 2 341.371 1.321 20 30 EDEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000101554526 441157990 /nfs/dbraw/zinc/15/79/90/441157990.db2.gz RTRHNDPGMUPZDC-UHFFFAOYSA-N 1 2 338.455 1.985 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000058217089 441160819 /nfs/dbraw/zinc/16/08/19/441160819.db2.gz CEPDOJAGWUHGRU-UHFFFAOYSA-N 1 2 346.431 1.048 20 30 EDEDLO C=CCSc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000072205690 441206463 /nfs/dbraw/zinc/20/64/63/441206463.db2.gz RRWBZYRTHJLQIB-CQSZACIVSA-N 1 2 339.509 1.901 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081050640 441226586 /nfs/dbraw/zinc/22/65/86/441226586.db2.gz GFKAAEOURKVMSS-SMDDNHRTSA-N 1 2 333.354 1.717 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081050640 441226588 /nfs/dbraw/zinc/22/65/88/441226588.db2.gz GFKAAEOURKVMSS-SMDDNHRTSA-N 1 2 333.354 1.717 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1)c1ccccc1 ZINC000081050452 441226715 /nfs/dbraw/zinc/22/67/15/441226715.db2.gz YJHXABXBBRAFFR-HNNXBMFYSA-N 1 2 341.333 1.932 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)c1ccccc1 ZINC000081050452 441226719 /nfs/dbraw/zinc/22/67/19/441226719.db2.gz YJHXABXBBRAFFR-HNNXBMFYSA-N 1 2 341.333 1.932 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1Cl ZINC000060634158 441255141 /nfs/dbraw/zinc/25/51/41/441255141.db2.gz GBIOQTZCMISQDA-UHFFFAOYSA-N 1 2 335.835 1.957 20 30 EDEDLO Cc1ccc(O[C@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000072622556 441243208 /nfs/dbraw/zinc/24/32/08/441243208.db2.gz CHGMOIUHGKKNAD-QGZVFWFLSA-N 1 2 345.443 1.837 20 30 EDEDLO COc1cc(C(N)=[NH+]OCC(=O)N2CCCC2)cc(Cl)c1OC ZINC000063458400 441330038 /nfs/dbraw/zinc/33/00/38/441330038.db2.gz HBGSTSIFFZCDCY-UHFFFAOYSA-N 1 2 341.795 1.617 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000024242629 441307295 /nfs/dbraw/zinc/30/72/95/441307295.db2.gz ILGSLMSFFMOWTH-CQSZACIVSA-N 1 2 332.404 1.576 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000024242629 441307300 /nfs/dbraw/zinc/30/73/00/441307300.db2.gz ILGSLMSFFMOWTH-CQSZACIVSA-N 1 2 332.404 1.576 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000027219630 441397211 /nfs/dbraw/zinc/39/72/11/441397211.db2.gz PQHNEVABWKGOLF-AWEZNQCLSA-N 1 2 333.407 1.090 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063753546 441350153 /nfs/dbraw/zinc/35/01/53/441350153.db2.gz QZLLMRHDRCQMHW-UHFFFAOYSA-N 1 2 328.416 1.769 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063753546 441350156 /nfs/dbraw/zinc/35/01/56/441350156.db2.gz QZLLMRHDRCQMHW-UHFFFAOYSA-N 1 2 328.416 1.769 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3nnc[nH]3)CC2)C1=O ZINC000083443455 441361139 /nfs/dbraw/zinc/36/11/39/441361139.db2.gz VNOQJWVOYXVXIU-CYBMUJFWSA-N 1 2 342.428 1.723 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000050147592 441374826 /nfs/dbraw/zinc/37/48/26/441374826.db2.gz KNPIRQAKLHXNSL-UHFFFAOYSA-N 1 2 339.355 1.129 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000029156548 441449046 /nfs/dbraw/zinc/44/90/46/441449046.db2.gz CYKPPCNHBRIAKE-KRWDZBQOSA-N 1 2 334.489 1.920 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000028800839 441437123 /nfs/dbraw/zinc/43/71/23/441437123.db2.gz MEAOWXAEPPDRJE-LBPRGKRZSA-N 1 2 343.387 1.256 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000066309781 441518490 /nfs/dbraw/zinc/51/84/90/441518490.db2.gz MOSUJSRBMVJBEE-INIZCTEOSA-N 1 2 342.443 1.960 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC2CC[NH+](C3CC3)CC2)cc1C#N ZINC000031896800 441541181 /nfs/dbraw/zinc/54/11/81/441541181.db2.gz FYRRZYJKMMPHHB-UHFFFAOYSA-N 1 2 332.429 1.737 20 30 EDEDLO C#CC[N@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066537330 441542648 /nfs/dbraw/zinc/54/26/48/441542648.db2.gz DXKVXQPDUPKFIH-QGZVFWFLSA-N 1 2 329.425 1.495 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066537330 441542653 /nfs/dbraw/zinc/54/26/53/441542653.db2.gz DXKVXQPDUPKFIH-QGZVFWFLSA-N 1 2 329.425 1.495 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112359947 441547176 /nfs/dbraw/zinc/54/71/76/441547176.db2.gz FMLUMGOMAJXYKK-XJKSGUPXSA-N 1 2 346.406 1.623 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112359947 441547182 /nfs/dbraw/zinc/54/71/82/441547182.db2.gz FMLUMGOMAJXYKK-XJKSGUPXSA-N 1 2 346.406 1.623 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000075672930 441547383 /nfs/dbraw/zinc/54/73/83/441547383.db2.gz GFTIQIDCORVAGW-KRWDZBQOSA-N 1 2 326.375 1.948 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000088305215 441503333 /nfs/dbraw/zinc/50/33/33/441503333.db2.gz QUBYUASIFYPVQV-QGZVFWFLSA-N 1 2 339.439 1.193 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCSC3)CC2)cc1 ZINC000075802552 441556183 /nfs/dbraw/zinc/55/61/83/441556183.db2.gz NQWXNMYXGVDAMW-INIZCTEOSA-N 1 2 330.457 1.891 20 30 EDEDLO Cc1cc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000055527408 441653500 /nfs/dbraw/zinc/65/35/00/441653500.db2.gz CFDJIPWIMIICIN-UHFFFAOYSA-N 1 2 339.399 1.611 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)COc2cc(OC)ccc2C=O)CC1 ZINC000115354315 441729534 /nfs/dbraw/zinc/72/95/34/441729534.db2.gz QXPXUKVEKFPVMN-UHFFFAOYSA-N 1 2 330.384 1.054 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158949285 441775613 /nfs/dbraw/zinc/77/56/13/441775613.db2.gz HDRDFIOUZIXWQI-SFHVURJKSA-N 1 2 329.400 1.172 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158949285 441775622 /nfs/dbraw/zinc/77/56/22/441775622.db2.gz HDRDFIOUZIXWQI-SFHVURJKSA-N 1 2 329.400 1.172 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](CC(N)=O)C(C)C)cc1C ZINC000078276222 441913640 /nfs/dbraw/zinc/91/36/40/441913640.db2.gz VABXRYIECTYHEM-UHFFFAOYSA-N 1 2 330.432 1.746 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](CC(N)=O)C(C)C)cc1C ZINC000078276222 441913645 /nfs/dbraw/zinc/91/36/45/441913645.db2.gz VABXRYIECTYHEM-UHFFFAOYSA-N 1 2 330.432 1.746 20 30 EDEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@H](C)C(=O)N(C)CCC#N ZINC000119488634 441937873 /nfs/dbraw/zinc/93/78/73/441937873.db2.gz FCZGLUAZTVHGBJ-CQSZACIVSA-N 1 2 346.431 1.716 20 30 EDEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@H](C)C(=O)N(C)CCC#N ZINC000119488634 441937879 /nfs/dbraw/zinc/93/78/79/441937879.db2.gz FCZGLUAZTVHGBJ-CQSZACIVSA-N 1 2 346.431 1.716 20 30 EDEDLO CC1CCC(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000078687098 441962994 /nfs/dbraw/zinc/96/29/94/441962994.db2.gz KPYBAMXZJUGDIV-UHFFFAOYSA-N 1 2 336.480 1.229 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cc(C#N)c[nH]3)c[nH+]2)CCO1 ZINC000175328872 442042394 /nfs/dbraw/zinc/04/23/94/442042394.db2.gz APJQFVZKVARPPZ-GFCCVEGCSA-N 1 2 325.372 1.436 20 30 EDEDLO C[C@H](c1cccc(NC(=O)Cn2cnc(C#N)n2)c1)[NH+]1CCOCC1 ZINC000426441969 447445306 /nfs/dbraw/zinc/44/53/06/447445306.db2.gz HZDUOVJQXGZDDQ-CYBMUJFWSA-N 1 2 340.387 1.182 20 30 EDEDLO N#CCCn1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000120268272 442039185 /nfs/dbraw/zinc/03/91/85/442039185.db2.gz IDPYAZWQKWHXKD-ZDUSSCGKSA-N 1 2 325.376 1.592 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000161930611 442045202 /nfs/dbraw/zinc/04/52/02/442045202.db2.gz PLSWYSZNDNXNPP-AWEZNQCLSA-N 1 2 344.463 1.224 20 30 EDEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000126622222 442128305 /nfs/dbraw/zinc/12/83/05/442128305.db2.gz VEBUZYFMXCUSIY-UHFFFAOYSA-N 1 2 335.360 1.934 20 30 EDEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC(=O)NCC ZINC000129717213 442329274 /nfs/dbraw/zinc/32/92/74/442329274.db2.gz ARBVCTPIOJDBPY-GFCCVEGCSA-N 1 2 334.376 1.817 20 30 EDEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NC(=O)NCC ZINC000129717213 442329276 /nfs/dbraw/zinc/32/92/76/442329276.db2.gz ARBVCTPIOJDBPY-GFCCVEGCSA-N 1 2 334.376 1.817 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178435382 442433659 /nfs/dbraw/zinc/43/36/59/442433659.db2.gz AAUSVJCSBHGQED-SBUREZEXSA-N 1 2 335.473 1.910 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178435382 442433661 /nfs/dbraw/zinc/43/36/61/442433661.db2.gz AAUSVJCSBHGQED-SBUREZEXSA-N 1 2 335.473 1.910 20 30 EDEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nnc2ccccn21 ZINC000172613660 442504367 /nfs/dbraw/zinc/50/43/67/442504367.db2.gz VZAVUMSIRXZAFE-ZDUSSCGKSA-N 1 2 326.404 1.723 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186081002 442459580 /nfs/dbraw/zinc/45/95/80/442459580.db2.gz LIRIEKCLJNUGQT-DOTOQJQBSA-N 1 2 345.443 1.720 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186081002 442459583 /nfs/dbraw/zinc/45/95/83/442459583.db2.gz LIRIEKCLJNUGQT-DOTOQJQBSA-N 1 2 345.443 1.720 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cnn(C)c2)CC1 ZINC000180415572 442598954 /nfs/dbraw/zinc/59/89/54/442598954.db2.gz JOMPPWZDWMKEFR-DOTOQJQBSA-N 1 2 346.479 1.105 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cnn(C)c2)CC1 ZINC000180415572 442598960 /nfs/dbraw/zinc/59/89/60/442598960.db2.gz JOMPPWZDWMKEFR-DOTOQJQBSA-N 1 2 346.479 1.105 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CC(NC(=O)C2CC2)C1 ZINC000187982900 442701823 /nfs/dbraw/zinc/70/18/23/442701823.db2.gz QABDABHZAPKZSI-QGZVFWFLSA-N 1 2 330.428 1.365 20 30 EDEDLO CCCC[N@H+](CC(N)=O)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192545814 442661328 /nfs/dbraw/zinc/66/13/28/442661328.db2.gz RKCVXWXHQWTGQF-MRXNPFEDSA-N 1 2 328.416 1.641 20 30 EDEDLO CCCC[N@@H+](CC(N)=O)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192545814 442661331 /nfs/dbraw/zinc/66/13/31/442661331.db2.gz RKCVXWXHQWTGQF-MRXNPFEDSA-N 1 2 328.416 1.641 20 30 EDEDLO CC(C)[C@H](CNC(=O)c1ccc(C#N)c(O)c1)[NH+]1CCN(C)CC1 ZINC000188577546 442764762 /nfs/dbraw/zinc/76/47/62/442764762.db2.gz PAJOBFOKKRCVDW-INIZCTEOSA-N 1 2 330.432 1.266 20 30 EDEDLO CC(C)[C@H](CNC(=O)c1ccc(C#N)c(O)c1)N1CC[NH+](C)CC1 ZINC000188577546 442764766 /nfs/dbraw/zinc/76/47/66/442764766.db2.gz PAJOBFOKKRCVDW-INIZCTEOSA-N 1 2 330.432 1.266 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000183005377 442862879 /nfs/dbraw/zinc/86/28/79/442862879.db2.gz FDKDERVFSRSNTN-MRXNPFEDSA-N 1 2 328.416 1.710 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1ccc(O)cc1 ZINC000183520138 442937282 /nfs/dbraw/zinc/93/72/82/442937282.db2.gz MMJXHHRGLKDSMK-UHFFFAOYSA-N 1 2 331.416 1.399 20 30 EDEDLO CC(C)(C)OC(=O)NCC[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000268355467 442958771 /nfs/dbraw/zinc/95/87/71/442958771.db2.gz OIEGZAGMXCGCIE-UHFFFAOYSA-N 1 2 331.420 1.600 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(C(N)=O)CC1 ZINC000183826160 442967612 /nfs/dbraw/zinc/96/76/12/442967612.db2.gz BZHGACAKDIPRFA-LLVKDONJSA-N 1 2 332.429 1.484 20 30 EDEDLO C=C(C)CS(=O)(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000189549286 442976829 /nfs/dbraw/zinc/97/68/29/442976829.db2.gz YTCXODZZBMFHSE-UHFFFAOYSA-N 1 2 344.399 1.479 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@H]1O ZINC000249599055 442994043 /nfs/dbraw/zinc/99/40/43/442994043.db2.gz XQNLLWATYGILBI-CZUORRHYSA-N 1 2 339.399 1.385 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@H]1O ZINC000249599055 442994045 /nfs/dbraw/zinc/99/40/45/442994045.db2.gz XQNLLWATYGILBI-CZUORRHYSA-N 1 2 339.399 1.385 20 30 EDEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000268527928 443021669 /nfs/dbraw/zinc/02/16/69/443021669.db2.gz DTIVWWNRTAHFIC-OAHLLOKOSA-N 1 2 342.436 1.459 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000184841000 443084692 /nfs/dbraw/zinc/08/46/92/443084692.db2.gz XKJSPTDHDATYSJ-KGLIPLIRSA-N 1 2 341.419 1.321 20 30 EDEDLO Cn1cc(-c2cc(CN(CCC#N)CC[NH+]3CCOCC3)on2)cn1 ZINC000185017122 443118834 /nfs/dbraw/zinc/11/88/34/443118834.db2.gz FSZNRVCHLGEXHF-UHFFFAOYSA-N 1 2 344.419 1.123 20 30 EDEDLO CC#CCCCC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000185471795 443205019 /nfs/dbraw/zinc/20/50/19/443205019.db2.gz XLNZHTGXYVYBMT-MRXNPFEDSA-N 1 2 333.476 1.772 20 30 EDEDLO C[C@@H](c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)n1cnc(C#N)n1 ZINC000350324354 319047172 /nfs/dbraw/zinc/04/71/72/319047172.db2.gz SVJXYCBJDAWGRN-SDDRHHMPSA-N 1 2 329.364 1.068 20 30 EDEDLO C[C@@H](c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1)n1cnc(C#N)n1 ZINC000350324354 319047174 /nfs/dbraw/zinc/04/71/74/319047174.db2.gz SVJXYCBJDAWGRN-SDDRHHMPSA-N 1 2 329.364 1.068 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(N)=O)o3)CC2)cc1 ZINC000269447266 443312184 /nfs/dbraw/zinc/31/21/84/443312184.db2.gz BSFZIVUDSCHYGT-UHFFFAOYSA-N 1 2 338.367 1.208 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000272866779 443472314 /nfs/dbraw/zinc/47/23/14/443472314.db2.gz RVKMCRPMYJXXOS-UHFFFAOYSA-N 1 2 348.428 1.272 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000282888460 443460220 /nfs/dbraw/zinc/46/02/20/443460220.db2.gz QJCSKXTVRQPTCE-GFCCVEGCSA-N 1 2 342.490 1.032 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000282888460 443460223 /nfs/dbraw/zinc/46/02/23/443460223.db2.gz QJCSKXTVRQPTCE-GFCCVEGCSA-N 1 2 342.490 1.032 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(=O)OCC)cnc2C)CC1 ZINC000271321814 443500986 /nfs/dbraw/zinc/50/09/86/443500986.db2.gz TVCZWBXYBNBGOX-UHFFFAOYSA-N 1 2 329.400 1.348 20 30 EDEDLO N#C[C@H]1CSCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000271693799 443510286 /nfs/dbraw/zinc/51/02/86/443510286.db2.gz FTVJECIHXSHSTR-JKSUJKDBSA-N 1 2 331.441 1.355 20 30 EDEDLO N#C[C@H]1CSCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000271693799 443510290 /nfs/dbraw/zinc/51/02/90/443510290.db2.gz FTVJECIHXSHSTR-JKSUJKDBSA-N 1 2 331.441 1.355 20 30 EDEDLO Cn1cc([C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)cn1 ZINC000267663564 443533003 /nfs/dbraw/zinc/53/30/03/443533003.db2.gz ZVRKQWIRTXKJAK-QGZVFWFLSA-N 1 2 339.399 1.694 20 30 EDEDLO Cn1cc([C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)cn1 ZINC000267663564 443533004 /nfs/dbraw/zinc/53/30/04/443533004.db2.gz ZVRKQWIRTXKJAK-QGZVFWFLSA-N 1 2 339.399 1.694 20 30 EDEDLO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)c1ccco1 ZINC000272943818 443496725 /nfs/dbraw/zinc/49/67/25/443496725.db2.gz CJCAHAUMBBSSPQ-HNNXBMFYSA-N 1 2 333.413 1.874 20 30 EDEDLO NC(COc1cc(F)cc(F)c1)=[NH+]OCC1CCS(=O)(=O)CC1 ZINC000275442887 443627997 /nfs/dbraw/zinc/62/79/97/443627997.db2.gz HSCRCRFNSIFJCK-UHFFFAOYSA-N 1 2 348.371 1.457 20 30 EDEDLO COc1ccc(C[NH+]2CCN(c3cncc4ncnn43)CC2)cc1C#N ZINC000275531170 443630978 /nfs/dbraw/zinc/63/09/78/443630978.db2.gz DPOVBHCTVFKJKN-UHFFFAOYSA-N 1 2 349.398 1.327 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(C)c2C)CC1 ZINC000265277750 443592493 /nfs/dbraw/zinc/59/24/93/443592493.db2.gz AADQMDITPVUDRG-UHFFFAOYSA-N 1 2 336.457 1.642 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000274062270 443592740 /nfs/dbraw/zinc/59/27/40/443592740.db2.gz AJBLSCBDHYHQRX-MCIONIFRSA-N 1 2 349.456 1.447 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000274062270 443592742 /nfs/dbraw/zinc/59/27/42/443592742.db2.gz AJBLSCBDHYHQRX-MCIONIFRSA-N 1 2 349.456 1.447 20 30 EDEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](CC(=O)N[C@H](C)CC)CC1 ZINC000283384681 443619001 /nfs/dbraw/zinc/61/90/01/443619001.db2.gz VJPLHUYZDRPAML-CQSZACIVSA-N 1 2 334.468 1.199 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000280653084 443739903 /nfs/dbraw/zinc/73/99/03/443739903.db2.gz ZHCJHOFLMUWTAH-LPHOPBHVSA-N 1 2 343.427 1.813 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@]2(CCOC2)O1 ZINC000280653084 443739905 /nfs/dbraw/zinc/73/99/05/443739905.db2.gz ZHCJHOFLMUWTAH-LPHOPBHVSA-N 1 2 343.427 1.813 20 30 EDEDLO CO/N=C/c1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000287309664 443740480 /nfs/dbraw/zinc/74/04/80/443740480.db2.gz LRTDDXVRKRPCLH-ZIQYSZGKSA-N 1 2 331.416 1.602 20 30 EDEDLO C[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000280770544 443743702 /nfs/dbraw/zinc/74/37/02/443743702.db2.gz JMSVZKZCIKBCGE-YOEHRIQHSA-N 1 2 326.400 1.077 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000284687349 443784406 /nfs/dbraw/zinc/78/44/06/443784406.db2.gz HSXBALNWQCDWQC-JKSUJKDBSA-N 1 2 348.834 1.555 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000284687349 443784408 /nfs/dbraw/zinc/78/44/08/443784408.db2.gz HSXBALNWQCDWQC-JKSUJKDBSA-N 1 2 348.834 1.555 20 30 EDEDLO CN1CCO[C@@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000284687349 443784412 /nfs/dbraw/zinc/78/44/12/443784412.db2.gz HSXBALNWQCDWQC-JKSUJKDBSA-N 1 2 348.834 1.555 20 30 EDEDLO CN1CCO[C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000284687349 443784417 /nfs/dbraw/zinc/78/44/17/443784417.db2.gz HSXBALNWQCDWQC-JKSUJKDBSA-N 1 2 348.834 1.555 20 30 EDEDLO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292307361 443789308 /nfs/dbraw/zinc/78/93/08/443789308.db2.gz VBUAPGMHJKYKJP-AWEZNQCLSA-N 1 2 325.372 1.665 20 30 EDEDLO CCc1cc(=O)[nH]c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292307361 443789313 /nfs/dbraw/zinc/78/93/13/443789313.db2.gz VBUAPGMHJKYKJP-AWEZNQCLSA-N 1 2 325.372 1.665 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000291648823 443763641 /nfs/dbraw/zinc/76/36/41/443763641.db2.gz BUNRPTWCYZSDTJ-CYBMUJFWSA-N 1 2 326.360 1.050 20 30 EDEDLO C=CCNC(=O)C[NH+](CCc1cccc(F)c1)CC(=O)NCC=C ZINC000298453893 443772364 /nfs/dbraw/zinc/77/23/64/443772364.db2.gz WFYOPPBSGJUOKB-UHFFFAOYSA-N 1 2 333.407 1.275 20 30 EDEDLO NC(Cc1ccccc1Cl)=[NH+]OC[C@@H]1CCCS(=O)(=O)C1 ZINC000284524915 443779317 /nfs/dbraw/zinc/77/93/17/443779317.db2.gz UUBVPYFRBMFMTA-NSHDSACASA-N 1 2 330.837 1.996 20 30 EDEDLO CC[C@H](CC#N)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000284618116 443782381 /nfs/dbraw/zinc/78/23/81/443782381.db2.gz CUXRFPFTCCIQES-SUYBPPKGSA-N 1 2 343.431 1.671 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCc2ccc(F)cc2)C1=O ZINC000281335057 443883312 /nfs/dbraw/zinc/88/33/12/443883312.db2.gz MDGDJMIDSWZEAB-XJKSGUPXSA-N 1 2 333.407 1.549 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCc2ccc(F)cc2)C1=O ZINC000281335057 443883316 /nfs/dbraw/zinc/88/33/16/443883316.db2.gz MDGDJMIDSWZEAB-XJKSGUPXSA-N 1 2 333.407 1.549 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCOc2cccc(F)c2)C1=O ZINC000281265918 443863904 /nfs/dbraw/zinc/86/39/04/443863904.db2.gz HRVLFSSFIQSTPC-INIZCTEOSA-N 1 2 349.406 1.039 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCOc2cccc(F)c2)C1=O ZINC000281265918 443863908 /nfs/dbraw/zinc/86/39/08/443863908.db2.gz HRVLFSSFIQSTPC-INIZCTEOSA-N 1 2 349.406 1.039 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2c3ccccc3C[C@H]2C)C1=O ZINC000281289957 443869724 /nfs/dbraw/zinc/86/97/24/443869724.db2.gz JFSAHRUMKLICMV-PBHICJAKSA-N 1 2 327.428 1.683 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2c3ccccc3C[C@H]2C)C1=O ZINC000281289957 443869725 /nfs/dbraw/zinc/86/97/25/443869725.db2.gz JFSAHRUMKLICMV-PBHICJAKSA-N 1 2 327.428 1.683 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285264016 443917869 /nfs/dbraw/zinc/91/78/69/443917869.db2.gz DSULSQSZPFDIGY-AEFFLSMTSA-N 1 2 343.427 1.313 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285264016 443917872 /nfs/dbraw/zinc/91/78/72/443917872.db2.gz DSULSQSZPFDIGY-AEFFLSMTSA-N 1 2 343.427 1.313 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2)C1CC1 ZINC000288756957 443974491 /nfs/dbraw/zinc/97/44/91/443974491.db2.gz GXYUSAINUYMQFH-KRWDZBQOSA-N 1 2 327.384 1.668 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2)C1CC1 ZINC000288756957 443974497 /nfs/dbraw/zinc/97/44/97/443974497.db2.gz GXYUSAINUYMQFH-KRWDZBQOSA-N 1 2 327.384 1.668 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000293312019 443980465 /nfs/dbraw/zinc/98/04/65/443980465.db2.gz KHFJYCMWOMYBGT-QGZVFWFLSA-N 1 2 342.443 1.561 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000285444676 443986802 /nfs/dbraw/zinc/98/68/02/443986802.db2.gz PSFHMONMIFTLNS-JVYTYZJESA-N 1 2 326.418 1.625 20 30 EDEDLO C#CCN(CC)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000299398786 444037050 /nfs/dbraw/zinc/03/70/50/444037050.db2.gz XPHPLJKCFPZJMC-UHFFFAOYSA-N 1 2 345.443 1.562 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000299462478 444052738 /nfs/dbraw/zinc/05/27/38/444052738.db2.gz FZIMXMVUNHQIBL-UHFFFAOYSA-N 1 2 342.359 1.789 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)C[C@H]21 ZINC000560445830 321028239 /nfs/dbraw/zinc/02/82/39/321028239.db2.gz JLBHEYKQYVLVNH-ZIAGYGMSSA-N 1 2 335.795 1.543 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)C[C@H]21 ZINC000560445830 321028240 /nfs/dbraw/zinc/02/82/40/321028240.db2.gz JLBHEYKQYVLVNH-ZIAGYGMSSA-N 1 2 335.795 1.543 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)C1=O ZINC000282101570 444086422 /nfs/dbraw/zinc/08/64/22/444086422.db2.gz WCYLVAPEFZVXBZ-MRXNPFEDSA-N 1 2 347.846 1.885 20 30 EDEDLO COC(=O)c1ccc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(C#N)n1 ZINC000564665840 321140487 /nfs/dbraw/zinc/14/04/87/321140487.db2.gz ACWPWLWWOOYLDD-STQMWFEESA-N 1 2 330.388 1.039 20 30 EDEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3cnnn3C)c2)n1 ZINC000289350912 444114895 /nfs/dbraw/zinc/11/48/95/444114895.db2.gz HFNLYWOUTXRPBV-UHFFFAOYSA-N 1 2 339.403 1.514 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccnc(C#N)c1 ZINC000289581869 444176863 /nfs/dbraw/zinc/17/68/63/444176863.db2.gz IRXKAFZXNCTYEV-GUYCJALGSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccnc(C#N)c1 ZINC000289581869 444176864 /nfs/dbraw/zinc/17/68/64/444176864.db2.gz IRXKAFZXNCTYEV-GUYCJALGSA-N 1 2 328.395 1.736 20 30 EDEDLO CC(=O)N1CCN(C(=O)CCNc2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301683809 444185257 /nfs/dbraw/zinc/18/52/57/444185257.db2.gz SXHMAADLQBANMT-UHFFFAOYSA-N 1 2 329.404 1.063 20 30 EDEDLO C#CCOc1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000296870977 444259485 /nfs/dbraw/zinc/25/94/85/444259485.db2.gz FSPXIWDKWYSHRZ-IBGZPJMESA-N 1 2 342.439 1.958 20 30 EDEDLO C#CCOc1ccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000296870977 444259486 /nfs/dbraw/zinc/25/94/86/444259486.db2.gz FSPXIWDKWYSHRZ-IBGZPJMESA-N 1 2 342.439 1.958 20 30 EDEDLO Cc1c(C#N)c(N(C)C[C@H](O)C[NH+]2CCOCC2)nc2ccccc12 ZINC000297639386 444312295 /nfs/dbraw/zinc/31/22/95/444312295.db2.gz XQTJUNZBOLRZLA-HNNXBMFYSA-N 1 2 340.427 1.544 20 30 EDEDLO CC(C)(C)n1ncnc1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000578620247 321803614 /nfs/dbraw/zinc/80/36/14/321803614.db2.gz ZPROQZWQQNXKFW-UHFFFAOYSA-N 1 2 347.444 1.468 20 30 EDEDLO Cn1cnnc1[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000328639068 444407869 /nfs/dbraw/zinc/40/78/69/444407869.db2.gz PKEOUWCPLRRWJH-MRXNPFEDSA-N 1 2 327.388 1.529 20 30 EDEDLO Cn1cnnc1[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000328639068 444407874 /nfs/dbraw/zinc/40/78/74/444407874.db2.gz PKEOUWCPLRRWJH-MRXNPFEDSA-N 1 2 327.388 1.529 20 30 EDEDLO CCOC1CC(CNC(=O)N2CC[C@@H](C)C2)([NH+]2CCOCC2)C1 ZINC000328644216 444410944 /nfs/dbraw/zinc/41/09/44/444410944.db2.gz AMUFMNSUEJSHIA-HPUBIQBYSA-N 1 2 325.453 1.512 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)COc2ccsc2)CC1 ZINC000328666453 444421383 /nfs/dbraw/zinc/42/13/83/444421383.db2.gz ZXLYXHXALDBWLO-LBPRGKRZSA-N 1 2 337.445 1.779 20 30 EDEDLO Cn1ncc2c1CCC[C@H]2NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328898386 444393014 /nfs/dbraw/zinc/39/30/14/444393014.db2.gz WPYRFPYDVGRHAA-VNQPRFMTSA-N 1 2 333.436 1.116 20 30 EDEDLO Cn1ncc2c1CCC[C@H]2NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328898386 444393017 /nfs/dbraw/zinc/39/30/17/444393017.db2.gz WPYRFPYDVGRHAA-VNQPRFMTSA-N 1 2 333.436 1.116 20 30 EDEDLO CSc1cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ccn1 ZINC000328899677 444393998 /nfs/dbraw/zinc/39/39/98/444393998.db2.gz XPRCQIXCEFQGIM-KBPBESRZSA-N 1 2 336.461 1.622 20 30 EDEDLO CSc1cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccn1 ZINC000328899677 444394000 /nfs/dbraw/zinc/39/40/00/444394000.db2.gz XPRCQIXCEFQGIM-KBPBESRZSA-N 1 2 336.461 1.622 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ncc(C(F)(F)F)s3)C[C@H]21 ZINC000328741804 444446277 /nfs/dbraw/zinc/44/62/77/444446277.db2.gz MNDYWUAXCHQFKO-HTQZYQBOSA-N 1 2 336.339 1.722 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ncc(C(F)(F)F)s3)C[C@H]21 ZINC000328741804 444446281 /nfs/dbraw/zinc/44/62/81/444446281.db2.gz MNDYWUAXCHQFKO-HTQZYQBOSA-N 1 2 336.339 1.722 20 30 EDEDLO Cc1noc([C@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000329032531 444452689 /nfs/dbraw/zinc/45/26/89/444452689.db2.gz LTHJPUIXCZRXEJ-STQMWFEESA-N 1 2 343.412 1.906 20 30 EDEDLO Cc1noc([C@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000329032531 444452693 /nfs/dbraw/zinc/45/26/93/444452693.db2.gz LTHJPUIXCZRXEJ-STQMWFEESA-N 1 2 343.412 1.906 20 30 EDEDLO C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)[C@@H](C)C1 ZINC000331237701 444453954 /nfs/dbraw/zinc/45/39/54/444453954.db2.gz LEWIBUDAYIRNFY-BARDWOONSA-N 1 2 340.468 1.893 20 30 EDEDLO C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)[C@@H](C)C1 ZINC000331237701 444453956 /nfs/dbraw/zinc/45/39/56/444453956.db2.gz LEWIBUDAYIRNFY-BARDWOONSA-N 1 2 340.468 1.893 20 30 EDEDLO CC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000331237686 444454193 /nfs/dbraw/zinc/45/41/93/444454193.db2.gz LDNKTHIKDTVOIR-RDBSUJKOSA-N 1 2 326.441 1.647 20 30 EDEDLO CC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331237686 444454196 /nfs/dbraw/zinc/45/41/96/444454196.db2.gz LDNKTHIKDTVOIR-RDBSUJKOSA-N 1 2 326.441 1.647 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000340595567 444455011 /nfs/dbraw/zinc/45/50/11/444455011.db2.gz LWKVSHGYINNTER-UHFFFAOYSA-N 1 2 349.438 1.700 20 30 EDEDLO C[C@H]1CC[C@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000331254649 444458787 /nfs/dbraw/zinc/45/87/87/444458787.db2.gz XMRKTWADCRNSRC-IHRRRGAJSA-N 1 2 326.441 1.647 20 30 EDEDLO C[C@H]1CC[C@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000331254649 444458790 /nfs/dbraw/zinc/45/87/90/444458790.db2.gz XMRKTWADCRNSRC-IHRRRGAJSA-N 1 2 326.441 1.647 20 30 EDEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000337840696 444432861 /nfs/dbraw/zinc/43/28/61/444432861.db2.gz FHSKUXSQPNZOAT-UHFFFAOYSA-N 1 2 346.479 1.332 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)CO[C@H]1CCOC1)CCC2 ZINC000328718136 444440290 /nfs/dbraw/zinc/44/02/90/444440290.db2.gz PQGKDTBGQGGBKT-ILXRZTDVSA-N 1 2 336.436 1.767 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC(=O)NC(C)(C)C ZINC000331198190 444440423 /nfs/dbraw/zinc/44/04/23/444440423.db2.gz VHVFXDFFMVNJGB-UHFFFAOYSA-N 1 2 349.435 1.467 20 30 EDEDLO Cn1ccc2ccc(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cc2c1=O ZINC000329128404 444478640 /nfs/dbraw/zinc/47/86/40/444478640.db2.gz NKFHZJRDFBYAGV-HOTGVXAUSA-N 1 2 342.399 1.099 20 30 EDEDLO Cn1ccc2ccc(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc2c1=O ZINC000329128404 444478642 /nfs/dbraw/zinc/47/86/42/444478642.db2.gz NKFHZJRDFBYAGV-HOTGVXAUSA-N 1 2 342.399 1.099 20 30 EDEDLO Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000329253990 444513930 /nfs/dbraw/zinc/51/39/30/444513930.db2.gz ZOUAURIIKAEMRG-IHRRRGAJSA-N 1 2 344.419 1.387 20 30 EDEDLO C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000329266668 444517118 /nfs/dbraw/zinc/51/71/18/444517118.db2.gz HNOARYHPOGAQGP-HUUCEWRRSA-N 1 2 333.436 1.370 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCOCC2(CC2)C1)C1CCOCC1 ZINC000329268912 444517459 /nfs/dbraw/zinc/51/74/59/444517459.db2.gz DYAXXFQJZRSTIR-HNNXBMFYSA-N 1 2 348.447 1.914 20 30 EDEDLO O=C(NCCN1C(=O)CCCC1=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329278904 444519560 /nfs/dbraw/zinc/51/95/60/444519560.db2.gz LKPCJWLQRKBDJU-AWEZNQCLSA-N 1 2 337.420 1.125 20 30 EDEDLO O=C(NCCN1C(=O)CCCC1=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329278904 444519565 /nfs/dbraw/zinc/51/95/65/444519565.db2.gz LKPCJWLQRKBDJU-AWEZNQCLSA-N 1 2 337.420 1.125 20 30 EDEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329304917 444529027 /nfs/dbraw/zinc/52/90/27/444529027.db2.gz XJJMXSJAKOCICT-CVEARBPZSA-N 1 2 348.447 1.556 20 30 EDEDLO CC(C)(C(=O)N1CCN(c2ccccc2C#N)CC1)[NH+]1CCOCC1 ZINC000338183858 444553774 /nfs/dbraw/zinc/55/37/74/444553774.db2.gz NTFYRFWRKSZGSU-UHFFFAOYSA-N 1 2 342.443 1.318 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343744078 444560368 /nfs/dbraw/zinc/56/03/68/444560368.db2.gz LDRXTIVJACQWTK-MEDUHNTESA-N 1 2 334.424 1.133 20 30 EDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000329409929 444568457 /nfs/dbraw/zinc/56/84/57/444568457.db2.gz XWEXKHWVWVACJB-CZUORRHYSA-N 1 2 344.415 1.462 20 30 EDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000329409929 444568461 /nfs/dbraw/zinc/56/84/61/444568461.db2.gz XWEXKHWVWVACJB-CZUORRHYSA-N 1 2 344.415 1.462 20 30 EDEDLO Cc1noc([C@@H]2CCCN2C(=O)NCC2([NH+]3CCOCC3)CC2)n1 ZINC000329424282 444574378 /nfs/dbraw/zinc/57/43/78/444574378.db2.gz GBOAVZVBQMATMJ-ZDUSSCGKSA-N 1 2 335.408 1.294 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1C#N ZINC000329483852 444598429 /nfs/dbraw/zinc/59/84/29/444598429.db2.gz SCBJJZFKQWGTCM-MWLCHTKSSA-N 1 2 332.429 1.736 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@]3(CNC(=O)C3)C2)C1=O ZINC000342303171 444620792 /nfs/dbraw/zinc/62/07/92/444620792.db2.gz PZICEVVAVNOEES-GUYCJALGSA-N 1 2 344.440 1.327 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@]3(CNC(=O)C3)C2)C1=O ZINC000342303171 444620796 /nfs/dbraw/zinc/62/07/96/444620796.db2.gz PZICEVVAVNOEES-GUYCJALGSA-N 1 2 344.440 1.327 20 30 EDEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]=C([O-])N1CCn2c[nH+]cc2C1 ZINC000329549595 444625793 /nfs/dbraw/zinc/62/57/93/444625793.db2.gz ABKITAWEIYPGJS-SWLSCSKDSA-N 1 2 330.392 1.124 20 30 EDEDLO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000329549595 444625797 /nfs/dbraw/zinc/62/57/97/444625797.db2.gz ABKITAWEIYPGJS-SWLSCSKDSA-N 1 2 330.392 1.124 20 30 EDEDLO C[C@@H](C(=O)NC1(c2ncon2)CCOCC1)[NH+]1CCSCC1 ZINC000329617968 444651148 /nfs/dbraw/zinc/65/11/48/444651148.db2.gz GAXMDQLZJZZZDT-NSHDSACASA-N 1 2 326.422 1.469 20 30 EDEDLO CC#CCN(C)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000341072066 444660595 /nfs/dbraw/zinc/66/05/95/444660595.db2.gz ZYQIBFHNNAQIDG-PBHICJAKSA-N 1 2 328.416 1.344 20 30 EDEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000342371772 444661672 /nfs/dbraw/zinc/66/16/72/444661672.db2.gz YYIZAIRFFODPOI-UHFFFAOYSA-N 1 2 344.758 1.870 20 30 EDEDLO C[C@H](C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)[NH+]1CCOCC1 ZINC000342460474 444700433 /nfs/dbraw/zinc/70/04/33/444700433.db2.gz FMPRHGIXMBSCDA-PBHICJAKSA-N 1 2 329.400 1.179 20 30 EDEDLO CCC[C@H]1C[C@@H]1NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329823133 444729663 /nfs/dbraw/zinc/72/96/63/444729663.db2.gz HNXPTIBGSBHFEK-ZFWWWQNUSA-N 1 2 345.447 1.793 20 30 EDEDLO C[C@H](C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N)[NH+]1CCSCC1 ZINC000329844648 444737744 /nfs/dbraw/zinc/73/77/44/444737744.db2.gz LKHDHUHBYHMMEG-VYDXJSESSA-N 1 2 337.489 1.878 20 30 EDEDLO [O-]C(NCCc1cn2c([nH+]1)CCCC2)=[NH+][C@H]1CCc2c[nH]nc2C1 ZINC000329857804 444742353 /nfs/dbraw/zinc/74/23/53/444742353.db2.gz ZOPURGRWEWVYQV-ZDUSSCGKSA-N 1 2 328.420 1.546 20 30 EDEDLO [O-]C(N[C@H]1CCc2c[nH]nc2C1)=[NH+]CCc1cn2c([nH+]1)CCCC2 ZINC000329857804 444742356 /nfs/dbraw/zinc/74/23/56/444742356.db2.gz ZOPURGRWEWVYQV-ZDUSSCGKSA-N 1 2 328.420 1.546 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)nc3)C[C@H]21 ZINC000329975132 444795780 /nfs/dbraw/zinc/79/57/80/444795780.db2.gz DLBCVHIHPBQGSI-HZPDHXFCSA-N 1 2 345.447 1.111 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)nc3)C[C@H]21 ZINC000329975132 444795783 /nfs/dbraw/zinc/79/57/83/444795783.db2.gz DLBCVHIHPBQGSI-HZPDHXFCSA-N 1 2 345.447 1.111 20 30 EDEDLO CS(=O)(=O)C1(CNC(=O)N2CC[NH+](C3CCC3)CC2)CCC1 ZINC000330035956 444819804 /nfs/dbraw/zinc/81/98/04/444819804.db2.gz XVJVDJKQMFURRX-UHFFFAOYSA-N 1 2 329.466 1.038 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)n1cnc(C#N)n1 ZINC000336910816 444848276 /nfs/dbraw/zinc/84/82/76/444848276.db2.gz XLVPRNPCAHQZKB-ZDUSSCGKSA-N 1 2 340.387 1.182 20 30 EDEDLO CN(C)C(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C(C)(C)C1 ZINC000342768225 444857135 /nfs/dbraw/zinc/85/71/35/444857135.db2.gz JPXUEOOLMBJNDK-UHFFFAOYSA-N 1 2 340.431 1.784 20 30 EDEDLO CN(C)C(=O)N1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C(C)(C)C1 ZINC000342768225 444857137 /nfs/dbraw/zinc/85/71/37/444857137.db2.gz JPXUEOOLMBJNDK-UHFFFAOYSA-N 1 2 340.431 1.784 20 30 EDEDLO CN(C)C(=O)N1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C(C)(C)C1 ZINC000342768225 444857139 /nfs/dbraw/zinc/85/71/39/444857139.db2.gz JPXUEOOLMBJNDK-UHFFFAOYSA-N 1 2 340.431 1.784 20 30 EDEDLO CCN(CC)C(=O)N1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330241736 444903733 /nfs/dbraw/zinc/90/37/33/444903733.db2.gz BWAJGDHKLICFOG-AWEZNQCLSA-N 1 2 348.451 1.191 20 30 EDEDLO Cc1nnsc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000330270719 444916586 /nfs/dbraw/zinc/91/65/86/444916586.db2.gz URPJVSASUCSHIH-GFCCVEGCSA-N 1 2 325.438 1.057 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000341688397 444948513 /nfs/dbraw/zinc/94/85/13/444948513.db2.gz FEXQBYSRMBWQBE-KRWDZBQOSA-N 1 2 342.443 1.958 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341710780 444963448 /nfs/dbraw/zinc/96/34/48/444963448.db2.gz WRBMHZUOKNEDAX-QGZVFWFLSA-N 1 2 340.383 1.947 20 30 EDEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)CCC2 ZINC000330411997 444970856 /nfs/dbraw/zinc/97/08/56/444970856.db2.gz LVMLVGICTNQPLF-QWHCGFSZSA-N 1 2 325.438 1.137 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)C(=O)NC(C)(C)C)CCC2 ZINC000330417495 444973166 /nfs/dbraw/zinc/97/31/66/444973166.db2.gz XSRAMFZAHINOLP-OLZOCXBDSA-N 1 2 335.452 1.876 20 30 EDEDLO CC(C)(CNC(=O)N1CC[C@H](O)C12CCCC2)[NH+]1CCOCC1 ZINC000330324743 444937292 /nfs/dbraw/zinc/93/72/92/444937292.db2.gz ISSHHXLSHUXHGD-AWEZNQCLSA-N 1 2 325.453 1.391 20 30 EDEDLO CC(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000339099921 445032641 /nfs/dbraw/zinc/03/26/41/445032641.db2.gz FSCVKLMUYMZVTN-UHFFFAOYSA-N 1 2 328.416 1.733 20 30 EDEDLO Cc1nc(S(=O)(=O)N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cs1 ZINC000339033281 444998991 /nfs/dbraw/zinc/99/89/91/444998991.db2.gz NNZCLETZBXHZTP-QWHCGFSZSA-N 1 2 340.474 1.450 20 30 EDEDLO N#Cc1nc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)ccc1Cl ZINC000343030453 445017552 /nfs/dbraw/zinc/01/75/52/445017552.db2.gz VLLFWDSFCNFZKC-UHFFFAOYSA-N 1 2 347.850 1.963 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCCNc2cc[nH+]cc2)cc1C#N ZINC000341874356 445046985 /nfs/dbraw/zinc/04/69/85/445046985.db2.gz KLMGARSQUDUYFX-UHFFFAOYSA-N 1 2 329.385 1.040 20 30 EDEDLO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000330690136 445097695 /nfs/dbraw/zinc/09/76/95/445097695.db2.gz YMMIXOUUFVOSAG-PSASIEDQSA-N 1 2 325.331 1.203 20 30 EDEDLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000330690136 445097697 /nfs/dbraw/zinc/09/76/97/445097697.db2.gz YMMIXOUUFVOSAG-PSASIEDQSA-N 1 2 325.331 1.203 20 30 EDEDLO CC(C)CNC(=O)NC(=O)C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000330704775 445104777 /nfs/dbraw/zinc/10/47/77/445104777.db2.gz MVOMRFPLFASMDW-UHFFFAOYSA-N 1 2 337.399 1.029 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000342000546 445116361 /nfs/dbraw/zinc/11/63/61/445116361.db2.gz WTOUBTNIRYKBSY-UHFFFAOYSA-N 1 2 332.448 1.923 20 30 EDEDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cnccc3C#N)c2)CC1 ZINC000342093884 445168555 /nfs/dbraw/zinc/16/85/55/445168555.db2.gz NGHDVUBFCPJIPX-UHFFFAOYSA-N 1 2 335.411 1.953 20 30 EDEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC000345377901 445184361 /nfs/dbraw/zinc/18/43/61/445184361.db2.gz PLZRNBFZEJREOH-UHFFFAOYSA-N 1 2 346.412 1.391 20 30 EDEDLO C[C@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)N(C)CCC#N)CC1 ZINC000330914078 445192057 /nfs/dbraw/zinc/19/20/57/445192057.db2.gz IRWSGHFGNWRRCW-CYBMUJFWSA-N 1 2 342.490 1.517 20 30 EDEDLO COc1ccccc1[C@@H]1CN(C(=O)Cc2noc(C)c2C#N)CC[NH2+]1 ZINC000337597764 445158598 /nfs/dbraw/zinc/15/85/98/445158598.db2.gz PXYMROBKNDRYFZ-INIZCTEOSA-N 1 2 340.383 1.579 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000346387752 445213292 /nfs/dbraw/zinc/21/32/92/445213292.db2.gz SLTRZELFQFMXCM-SJORKVTESA-N 1 2 342.443 1.209 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000346387752 445213294 /nfs/dbraw/zinc/21/32/94/445213294.db2.gz SLTRZELFQFMXCM-SJORKVTESA-N 1 2 342.443 1.209 20 30 EDEDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCN1CC(F)F ZINC000346571984 445218735 /nfs/dbraw/zinc/21/87/35/445218735.db2.gz QSBKXJOBALSYGT-OLZOCXBDSA-N 1 2 328.407 1.599 20 30 EDEDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCN1CC(F)F ZINC000346571984 445218736 /nfs/dbraw/zinc/21/87/36/445218736.db2.gz QSBKXJOBALSYGT-OLZOCXBDSA-N 1 2 328.407 1.599 20 30 EDEDLO N#Cc1ccc(NCC(=O)NCc2ccccc2-n2cc[nH+]c2)nc1 ZINC000347686915 445244940 /nfs/dbraw/zinc/24/49/40/445244940.db2.gz BDLOUBSZIQKKBF-UHFFFAOYSA-N 1 2 332.367 1.867 20 30 EDEDLO C[C@H](COc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000348322509 445255868 /nfs/dbraw/zinc/25/58/68/445255868.db2.gz GZPPHUHFQGVDKM-QGZVFWFLSA-N 1 2 345.443 1.776 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N([C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1=O ZINC000348391748 445274564 /nfs/dbraw/zinc/27/45/64/445274564.db2.gz QNEVPBZMKNOHOB-OLZOCXBDSA-N 1 2 346.431 1.618 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@@H](C(=O)NCCCC#N)CCC(=O)N1C1CC1 ZINC000343645991 445280087 /nfs/dbraw/zinc/28/00/87/445280087.db2.gz QSEKCPQUWMACKD-XJKSGUPXSA-N 1 2 329.404 1.282 20 30 EDEDLO C=CCOC[C@H]1NC(=O)N(Cc2[nH+]ccn2CC(F)(F)F)C1=O ZINC000348423870 445285474 /nfs/dbraw/zinc/28/54/74/445285474.db2.gz OVHWYEKWKVDWKD-SECBINFHSA-N 1 2 332.282 1.068 20 30 EDEDLO C[C@@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000357270470 445517974 /nfs/dbraw/zinc/51/79/74/445517974.db2.gz GPQBSGHGCFGUMC-ZDUSSCGKSA-N 1 2 340.345 1.894 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000355936953 445536933 /nfs/dbraw/zinc/53/69/33/445536933.db2.gz FZLMNNIXYUHJRL-CQSZACIVSA-N 1 2 333.413 1.477 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000355936953 445536938 /nfs/dbraw/zinc/53/69/38/445536938.db2.gz FZLMNNIXYUHJRL-CQSZACIVSA-N 1 2 333.413 1.477 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000352515905 445534781 /nfs/dbraw/zinc/53/47/81/445534781.db2.gz ITXZPRLLXMFBHQ-IAGOWNOFSA-N 1 2 342.505 1.539 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)cn1 ZINC000359913251 445485435 /nfs/dbraw/zinc/48/54/35/445485435.db2.gz WEPTWWDADNCPSQ-UHFFFAOYSA-N 1 2 349.394 1.010 20 30 EDEDLO CC(C)(CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+]1CCOCC1 ZINC000349358782 445571610 /nfs/dbraw/zinc/57/16/10/445571610.db2.gz NTAUPSVLEINGEF-UHFFFAOYSA-N 1 2 345.418 1.956 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H]3C#N)c[nH+]2)CCO1 ZINC000360051065 445546343 /nfs/dbraw/zinc/54/63/43/445546343.db2.gz MKTPRKXAKCUTNZ-VNQPRFMTSA-N 1 2 343.431 1.798 20 30 EDEDLO C[C@H](C1CC1)N(C(=O)CN(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000357923101 445593689 /nfs/dbraw/zinc/59/36/89/445593689.db2.gz GJAVFROQCMVPRV-MRXNPFEDSA-N 1 2 348.491 1.324 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000356056118 445594487 /nfs/dbraw/zinc/59/44/87/445594487.db2.gz QMYMFRDNTBPHGQ-VYDXJSESSA-N 1 2 338.427 1.118 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000356056118 445594489 /nfs/dbraw/zinc/59/44/89/445594489.db2.gz QMYMFRDNTBPHGQ-VYDXJSESSA-N 1 2 338.427 1.118 20 30 EDEDLO CC(C)C(=O)NC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000360285161 445676339 /nfs/dbraw/zinc/67/63/39/445676339.db2.gz IHWUJNLYHFYZAI-MRXNPFEDSA-N 1 2 328.416 1.321 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCC2)C[C@H]1Cc1ccccc1 ZINC000349877837 445708930 /nfs/dbraw/zinc/70/89/30/445708930.db2.gz RHDFUPPCNZYGIQ-QGZVFWFLSA-N 1 2 347.484 1.869 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCC2)C[C@H]1Cc1ccccc1 ZINC000349877837 445708934 /nfs/dbraw/zinc/70/89/34/445708934.db2.gz RHDFUPPCNZYGIQ-QGZVFWFLSA-N 1 2 347.484 1.869 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000349948022 445731385 /nfs/dbraw/zinc/73/13/85/445731385.db2.gz UNOKCTRYLYJFTQ-HUUCEWRRSA-N 1 2 335.427 1.387 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000361115454 445750069 /nfs/dbraw/zinc/75/00/69/445750069.db2.gz KUNMIQCUSIQDOX-GJZGRUSLSA-N 1 2 335.835 1.846 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000361115454 445750071 /nfs/dbraw/zinc/75/00/71/445750071.db2.gz KUNMIQCUSIQDOX-GJZGRUSLSA-N 1 2 335.835 1.846 20 30 EDEDLO CC#CCCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000361241720 445756211 /nfs/dbraw/zinc/75/62/11/445756211.db2.gz CENWHERPZHJGAW-UHFFFAOYSA-N 1 2 342.443 1.802 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2nnc(N)cc2C1 ZINC000361368941 445763421 /nfs/dbraw/zinc/76/34/21/445763421.db2.gz YIAVGLAUYVXNHL-UHFFFAOYSA-N 1 2 325.372 1.376 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2nnc(N)cc2C1 ZINC000361368941 445763422 /nfs/dbraw/zinc/76/34/22/445763422.db2.gz YIAVGLAUYVXNHL-UHFFFAOYSA-N 1 2 325.372 1.376 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361560323 445819851 /nfs/dbraw/zinc/81/98/51/445819851.db2.gz CPKKOJRXFWNYRK-LBPRGKRZSA-N 1 2 329.400 1.640 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361560323 445819855 /nfs/dbraw/zinc/81/98/55/445819855.db2.gz CPKKOJRXFWNYRK-LBPRGKRZSA-N 1 2 329.400 1.640 20 30 EDEDLO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000350461624 445832647 /nfs/dbraw/zinc/83/26/47/445832647.db2.gz NUCRMDFUMNGGON-GDBMZVCRSA-N 1 2 349.456 1.489 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363457151 445812881 /nfs/dbraw/zinc/81/28/81/445812881.db2.gz JBSGSDHKWGHZKH-HNNXBMFYSA-N 1 2 345.447 1.171 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363457151 445812883 /nfs/dbraw/zinc/81/28/83/445812883.db2.gz JBSGSDHKWGHZKH-HNNXBMFYSA-N 1 2 345.447 1.171 20 30 EDEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000356614450 445887222 /nfs/dbraw/zinc/88/72/22/445887222.db2.gz FOMUYSAMNCYSBB-GOEBONIOSA-N 1 2 345.353 1.745 20 30 EDEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000356614450 445887227 /nfs/dbraw/zinc/88/72/27/445887227.db2.gz FOMUYSAMNCYSBB-GOEBONIOSA-N 1 2 345.353 1.745 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)s1 ZINC000350563232 445852024 /nfs/dbraw/zinc/85/20/24/445852024.db2.gz XSDBIGRFWKTCKB-UHFFFAOYSA-N 1 2 327.413 1.436 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(Cc2ncc(C(C)C)o2)C(C)=O)C1 ZINC000364534307 445929750 /nfs/dbraw/zinc/92/97/50/445929750.db2.gz REIKUUAWQDLZHY-OAHLLOKOSA-N 1 2 348.447 1.523 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(Cc2ncc(C(C)C)o2)C(C)=O)C1 ZINC000364534307 445929755 /nfs/dbraw/zinc/92/97/55/445929755.db2.gz REIKUUAWQDLZHY-OAHLLOKOSA-N 1 2 348.447 1.523 20 30 EDEDLO C=CCC1(C(=O)N2CC[N@@H+](C[C@H]3CN(C)CCO3)C[C@H]2C)CCC1 ZINC000365155744 446058240 /nfs/dbraw/zinc/05/82/40/446058240.db2.gz LIGSGIYKQIHZHB-IAGOWNOFSA-N 1 2 335.492 1.596 20 30 EDEDLO C=CCC1(C(=O)N2CC[N@H+](C[C@H]3CN(C)CCO3)C[C@H]2C)CCC1 ZINC000365155744 446058246 /nfs/dbraw/zinc/05/82/46/446058246.db2.gz LIGSGIYKQIHZHB-IAGOWNOFSA-N 1 2 335.492 1.596 20 30 EDEDLO N#Cc1cnn2cc(CN3CCCC[C@@H]3C[NH+]3CCOCC3)cnc12 ZINC000583935222 326169635 /nfs/dbraw/zinc/16/96/35/326169635.db2.gz XXAFJBAHIFITID-QGZVFWFLSA-N 1 2 340.431 1.288 20 30 EDEDLO C=CCOCC(=O)NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000351586963 446184292 /nfs/dbraw/zinc/18/42/92/446184292.db2.gz PMFGGBLMVQHTKL-KGLIPLIRSA-N 1 2 325.384 1.523 20 30 EDEDLO C=CCOCC(=O)NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000351586963 446184295 /nfs/dbraw/zinc/18/42/95/446184295.db2.gz PMFGGBLMVQHTKL-KGLIPLIRSA-N 1 2 325.384 1.523 20 30 EDEDLO Cc1nnc([C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)o1 ZINC000373291127 446146166 /nfs/dbraw/zinc/14/61/66/446146166.db2.gz KESASBRZSGBWNP-HNNXBMFYSA-N 1 2 341.371 1.652 20 30 EDEDLO Cc1nnc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)o1 ZINC000373291127 446146173 /nfs/dbraw/zinc/14/61/73/446146173.db2.gz KESASBRZSGBWNP-HNNXBMFYSA-N 1 2 341.371 1.652 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000369681376 446146525 /nfs/dbraw/zinc/14/65/25/446146525.db2.gz LBHAQQUAGPVJRK-OWCLPIDISA-N 1 2 332.448 1.607 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c(C#N)c1C ZINC000366427698 446209964 /nfs/dbraw/zinc/20/99/64/446209964.db2.gz JEDYFGVEYWLFJG-CFVMTHIKSA-N 1 2 344.415 1.825 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c(C#N)c1C ZINC000366427698 446209965 /nfs/dbraw/zinc/20/99/65/446209965.db2.gz JEDYFGVEYWLFJG-CFVMTHIKSA-N 1 2 344.415 1.825 20 30 EDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000370415437 446268385 /nfs/dbraw/zinc/26/83/85/446268385.db2.gz OAVOYGSLIJANMP-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000370415437 446268389 /nfs/dbraw/zinc/26/83/89/446268389.db2.gz OAVOYGSLIJANMP-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000366633431 446287251 /nfs/dbraw/zinc/28/72/51/446287251.db2.gz SCZDVTGVEBITRO-HNNXBMFYSA-N 1 2 336.399 1.061 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000366674395 446304655 /nfs/dbraw/zinc/30/46/55/446304655.db2.gz RBKOBIZSBWLFRK-GFCCVEGCSA-N 1 2 348.453 1.962 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366786453 446350678 /nfs/dbraw/zinc/35/06/78/446350678.db2.gz JFABKSFBNKVZGB-XYVMCAHJSA-N 1 2 337.464 1.699 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366786453 446350679 /nfs/dbraw/zinc/35/06/79/446350679.db2.gz JFABKSFBNKVZGB-XYVMCAHJSA-N 1 2 337.464 1.699 20 30 EDEDLO NC(=O)C1([NH+]2CCN(C(=O)C#Cc3ccccc3)CC2)CCCCC1 ZINC000365816877 446354899 /nfs/dbraw/zinc/35/48/99/446354899.db2.gz NILQTNDAEDLMQD-UHFFFAOYSA-N 1 2 339.439 1.371 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(CCS(=O)(=O)c1cccc(C#N)c1)C2 ZINC000366795566 446356058 /nfs/dbraw/zinc/35/60/58/446356058.db2.gz HDELPNRRACGPDX-UHFFFAOYSA-N 1 2 344.440 1.661 20 30 EDEDLO C#CCCCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(C)no2)CC1 ZINC000370681449 446384586 /nfs/dbraw/zinc/38/45/86/446384586.db2.gz OAWSKKFTCKHJPS-UHFFFAOYSA-N 1 2 339.461 1.622 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H]2CCCCNC2=O)c(C#N)c1C ZINC000365881363 446385776 /nfs/dbraw/zinc/38/57/76/446385776.db2.gz LMXJONYBHBZTSS-CYBMUJFWSA-N 1 2 334.445 1.776 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](C)[C@@H]2CCCCNC2=O)c(C#N)c1C ZINC000365881363 446385779 /nfs/dbraw/zinc/38/57/79/446385779.db2.gz LMXJONYBHBZTSS-CYBMUJFWSA-N 1 2 334.445 1.776 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000374799934 446398433 /nfs/dbraw/zinc/39/84/33/446398433.db2.gz NSLLZWALCJPZKZ-CVEARBPZSA-N 1 2 349.456 1.086 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000411197089 446424927 /nfs/dbraw/zinc/42/49/27/446424927.db2.gz VIPGBBOXBLAGRC-CYBMUJFWSA-N 1 2 346.387 1.983 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000411197089 446424928 /nfs/dbraw/zinc/42/49/28/446424928.db2.gz VIPGBBOXBLAGRC-CYBMUJFWSA-N 1 2 346.387 1.983 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000367084037 446504792 /nfs/dbraw/zinc/50/47/92/446504792.db2.gz KOHMHKJSCLLIAL-KRWDZBQOSA-N 1 2 349.475 1.194 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000367084037 446504798 /nfs/dbraw/zinc/50/47/98/446504798.db2.gz KOHMHKJSCLLIAL-KRWDZBQOSA-N 1 2 349.475 1.194 20 30 EDEDLO C#CCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000367183068 446521184 /nfs/dbraw/zinc/52/11/84/446521184.db2.gz BEQZFKKCSGGYNO-MSOLQXFVSA-N 1 2 327.428 1.695 20 30 EDEDLO C#CCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000367183068 446521191 /nfs/dbraw/zinc/52/11/91/446521191.db2.gz BEQZFKKCSGGYNO-MSOLQXFVSA-N 1 2 327.428 1.695 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nc1Cl ZINC000367394792 446540945 /nfs/dbraw/zinc/54/09/45/446540945.db2.gz RTDBZMJUGKCIJW-CQSZACIVSA-N 1 2 348.834 1.934 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433283968 446553063 /nfs/dbraw/zinc/55/30/63/446553063.db2.gz DTZQIJKTEOPMPY-OAHLLOKOSA-N 1 2 344.459 1.911 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433283968 446553065 /nfs/dbraw/zinc/55/30/65/446553065.db2.gz DTZQIJKTEOPMPY-OAHLLOKOSA-N 1 2 344.459 1.911 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000367721410 446578416 /nfs/dbraw/zinc/57/84/16/446578416.db2.gz OAFSTGUZDIHAAL-CYBMUJFWSA-N 1 2 340.449 1.425 20 30 EDEDLO N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000453726157 446625728 /nfs/dbraw/zinc/62/57/28/446625728.db2.gz RDAVOJIJEIDICG-CQSZACIVSA-N 1 2 337.383 1.820 20 30 EDEDLO C=C(C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000453878847 446694895 /nfs/dbraw/zinc/69/48/95/446694895.db2.gz GNTJGQJMPGCOBE-UHFFFAOYSA-N 1 2 344.459 1.455 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389875 446766303 /nfs/dbraw/zinc/76/63/03/446766303.db2.gz HJIWKWIOTLNNTA-ZIAGYGMSSA-N 1 2 348.407 1.436 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389875 446766310 /nfs/dbraw/zinc/76/63/10/446766310.db2.gz HJIWKWIOTLNNTA-ZIAGYGMSSA-N 1 2 348.407 1.436 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccnc2C#N)C1 ZINC000375441196 446800293 /nfs/dbraw/zinc/80/02/93/446800293.db2.gz MIHVQIVHJITNPX-HNNXBMFYSA-N 1 2 328.397 1.418 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccnc2C#N)C1 ZINC000375441196 446800295 /nfs/dbraw/zinc/80/02/95/446800295.db2.gz MIHVQIVHJITNPX-HNNXBMFYSA-N 1 2 328.397 1.418 20 30 EDEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000440267967 446841783 /nfs/dbraw/zinc/84/17/83/446841783.db2.gz ODYJWKDEYGGLEL-CQSZACIVSA-N 1 2 344.415 1.470 20 30 EDEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000440267967 446841792 /nfs/dbraw/zinc/84/17/92/446841792.db2.gz ODYJWKDEYGGLEL-CQSZACIVSA-N 1 2 344.415 1.470 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2cc(OCC)ccc2C1 ZINC000441058044 446862621 /nfs/dbraw/zinc/86/26/21/446862621.db2.gz DRCZQFCIOXWJSF-CYBMUJFWSA-N 1 2 331.416 1.844 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2cc(OCC)ccc2C1 ZINC000441058044 446862626 /nfs/dbraw/zinc/86/26/26/446862626.db2.gz DRCZQFCIOXWJSF-CYBMUJFWSA-N 1 2 331.416 1.844 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000377099526 446919734 /nfs/dbraw/zinc/91/97/34/446919734.db2.gz XAHOUIXSFYAMQT-LBPRGKRZSA-N 1 2 342.428 1.810 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000377099526 446919740 /nfs/dbraw/zinc/91/97/40/446919740.db2.gz XAHOUIXSFYAMQT-LBPRGKRZSA-N 1 2 342.428 1.810 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000420957180 446927389 /nfs/dbraw/zinc/92/73/89/446927389.db2.gz OBLQIJAVIATBNM-ZYHUDNBSSA-N 1 2 346.456 1.646 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000420957180 446927394 /nfs/dbraw/zinc/92/73/94/446927394.db2.gz OBLQIJAVIATBNM-ZYHUDNBSSA-N 1 2 346.456 1.646 20 30 EDEDLO N#Cc1c(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)n[nH]c1C1CC1 ZINC000377119970 446933340 /nfs/dbraw/zinc/93/33/40/446933340.db2.gz RTKZSSYRWDLLOU-CYBMUJFWSA-N 1 2 336.399 2.409 20 30 EDEDLO COc1cc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)ccc1C#N ZINC000442806297 446974568 /nfs/dbraw/zinc/97/45/68/446974568.db2.gz BAHBJTRZIIZKDY-CQSZACIVSA-N 1 2 342.443 1.352 20 30 EDEDLO COc1cc(C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)ccc1C#N ZINC000442806297 446974578 /nfs/dbraw/zinc/97/45/78/446974578.db2.gz BAHBJTRZIIZKDY-CQSZACIVSA-N 1 2 342.443 1.352 20 30 EDEDLO COc1cc(C[NH+]2CCN(Cc3nc(C)no3)CC2)ccc1C#N ZINC000442802904 446975040 /nfs/dbraw/zinc/97/50/40/446975040.db2.gz UBZCGDFVYMBOFC-UHFFFAOYSA-N 1 2 327.388 1.576 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000372002420 446982144 /nfs/dbraw/zinc/98/21/44/446982144.db2.gz GVFAGDYNMUQYIN-UHFFFAOYSA-N 1 2 340.387 1.912 20 30 EDEDLO Cn1ccnc1C[N@H+]1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000372002420 446982149 /nfs/dbraw/zinc/98/21/49/446982149.db2.gz GVFAGDYNMUQYIN-UHFFFAOYSA-N 1 2 340.387 1.912 20 30 EDEDLO C=CC(C)(C)CNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000454856272 446986977 /nfs/dbraw/zinc/98/69/77/446986977.db2.gz FMIWZQUZLZLCNZ-UHFFFAOYSA-N 1 2 339.480 1.768 20 30 EDEDLO C=C(CC)CNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000454858577 446987463 /nfs/dbraw/zinc/98/74/63/446987463.db2.gz JJHFTVRQNWOHFX-UHFFFAOYSA-N 1 2 325.453 1.522 20 30 EDEDLO COCCn1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000377253779 447022368 /nfs/dbraw/zinc/02/23/68/447022368.db2.gz UMZSRUUMQOQEJN-SFHVURJKSA-N 1 2 326.400 1.975 20 30 EDEDLO COCCn1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cn1 ZINC000377253779 447022371 /nfs/dbraw/zinc/02/23/71/447022371.db2.gz UMZSRUUMQOQEJN-SFHVURJKSA-N 1 2 326.400 1.975 20 30 EDEDLO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368641991 447000665 /nfs/dbraw/zinc/00/06/65/447000665.db2.gz IXNPEBPGDCSJOV-KRWDZBQOSA-N 1 2 328.416 1.563 20 30 EDEDLO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368641991 447000670 /nfs/dbraw/zinc/00/06/70/447000670.db2.gz IXNPEBPGDCSJOV-KRWDZBQOSA-N 1 2 328.416 1.563 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)no1 ZINC000375765172 447032038 /nfs/dbraw/zinc/03/20/38/447032038.db2.gz PIEPLOVCRFMLKJ-MRXNPFEDSA-N 1 2 339.399 1.746 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)no1 ZINC000375765172 447032042 /nfs/dbraw/zinc/03/20/42/447032042.db2.gz PIEPLOVCRFMLKJ-MRXNPFEDSA-N 1 2 339.399 1.746 20 30 EDEDLO COC1(C(F)(F)F)CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000419336190 447103119 /nfs/dbraw/zinc/10/31/19/447103119.db2.gz VFVGGIQOVKSKJY-ZDUSSCGKSA-N 1 2 333.354 1.838 20 30 EDEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413278246 447110838 /nfs/dbraw/zinc/11/08/38/447110838.db2.gz GGXYYFFCKRZCPD-CYBMUJFWSA-N 1 2 332.404 1.937 20 30 EDEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000413278246 447110841 /nfs/dbraw/zinc/11/08/41/447110841.db2.gz GGXYYFFCKRZCPD-CYBMUJFWSA-N 1 2 332.404 1.937 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1 ZINC000368812984 447127340 /nfs/dbraw/zinc/12/73/40/447127340.db2.gz BEQQVAGWVCEQNP-UHFFFAOYSA-N 1 2 340.427 1.119 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCCN(C(=O)C3CC3)CC2)c1 ZINC000368812984 447127347 /nfs/dbraw/zinc/12/73/47/447127347.db2.gz BEQQVAGWVCEQNP-UHFFFAOYSA-N 1 2 340.427 1.119 20 30 EDEDLO COCC(COC)[NH+]1CCN(c2cc(C#N)ccc2C(C)=O)CC1 ZINC000413481082 447194623 /nfs/dbraw/zinc/19/46/23/447194623.db2.gz SRSIWGPFYKLUIM-UHFFFAOYSA-N 1 2 331.416 1.544 20 30 EDEDLO C=CCn1cc(CNC(=O)N(C)CCCc2[nH+]ccn2CCC)nn1 ZINC000425569286 447233152 /nfs/dbraw/zinc/23/31/52/447233152.db2.gz YIEDYRLWAMOJEO-UHFFFAOYSA-N 1 2 345.451 1.845 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000447833191 447293081 /nfs/dbraw/zinc/29/30/81/447293081.db2.gz NUBUQEADRALDGO-GQGSAGHOSA-N 1 2 329.400 1.353 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+]([C@H](C(N)=O)c1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000447833191 447293090 /nfs/dbraw/zinc/29/30/90/447293090.db2.gz NUBUQEADRALDGO-GQGSAGHOSA-N 1 2 329.400 1.353 20 30 EDEDLO Cn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414093330 447274549 /nfs/dbraw/zinc/27/45/49/447274549.db2.gz HJXPNGUOGJSHSM-CQSZACIVSA-N 1 2 331.445 1.781 20 30 EDEDLO Cn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccccc1 ZINC000414093330 447274553 /nfs/dbraw/zinc/27/45/53/447274553.db2.gz HJXPNGUOGJSHSM-CQSZACIVSA-N 1 2 331.445 1.781 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000414102295 447275044 /nfs/dbraw/zinc/27/50/44/447275044.db2.gz CMELUNHPNGUEAA-GFCCVEGCSA-N 1 2 346.456 1.543 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000414102295 447275048 /nfs/dbraw/zinc/27/50/48/447275048.db2.gz CMELUNHPNGUEAA-GFCCVEGCSA-N 1 2 346.456 1.543 20 30 EDEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000455991419 447280041 /nfs/dbraw/zinc/28/00/41/447280041.db2.gz IYFNYRIJHUKPKZ-UHFFFAOYSA-N 1 2 342.443 1.065 20 30 EDEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000455991419 447280047 /nfs/dbraw/zinc/28/00/47/447280047.db2.gz IYFNYRIJHUKPKZ-UHFFFAOYSA-N 1 2 342.443 1.065 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450400069 447478773 /nfs/dbraw/zinc/47/87/73/447478773.db2.gz BOUZDNUIULQYEU-GFCCVEGCSA-N 1 2 330.344 1.695 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000495749467 447578865 /nfs/dbraw/zinc/57/88/65/447578865.db2.gz MHIIVTFRUNXRJK-GJZGRUSLSA-N 1 2 338.452 1.152 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000495749467 447578871 /nfs/dbraw/zinc/57/88/71/447578871.db2.gz MHIIVTFRUNXRJK-GJZGRUSLSA-N 1 2 338.452 1.152 20 30 EDEDLO CC(C)(CC#N)CNC(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000422485164 447589182 /nfs/dbraw/zinc/58/91/82/447589182.db2.gz CRANUPAFLODXHR-UHFFFAOYSA-N 1 2 348.472 1.448 20 30 EDEDLO CN(C)C(=O)OC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000495728537 447562814 /nfs/dbraw/zinc/56/28/14/447562814.db2.gz KUXWBXAGFIOKDF-HNNXBMFYSA-N 1 2 330.388 1.247 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459540982 447700839 /nfs/dbraw/zinc/70/08/39/447700839.db2.gz FBRJRAHXHZKNNX-AWEZNQCLSA-N 1 2 343.427 1.839 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459540982 447700841 /nfs/dbraw/zinc/70/08/41/447700841.db2.gz FBRJRAHXHZKNNX-AWEZNQCLSA-N 1 2 343.427 1.839 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000459446290 447669402 /nfs/dbraw/zinc/66/94/02/447669402.db2.gz PHEJEHVJLWKMFM-UHFFFAOYSA-N 1 2 328.332 1.670 20 30 EDEDLO N#CCNC(=O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451295344 447723926 /nfs/dbraw/zinc/72/39/26/447723926.db2.gz MRJOAOHBNVGRSI-UHFFFAOYSA-N 1 2 332.351 1.981 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@H](C)CN1CC1(C#N)CCC1 ZINC000451730078 447748657 /nfs/dbraw/zinc/74/86/57/447748657.db2.gz WTPZGUXZBAGDNC-CVEARBPZSA-N 1 2 344.459 1.922 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](CC2(C#N)CCC2)[C@H](C)CN1CC1(C#N)CCC1 ZINC000451730078 447748660 /nfs/dbraw/zinc/74/86/60/447748660.db2.gz WTPZGUXZBAGDNC-CVEARBPZSA-N 1 2 344.459 1.922 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@](C)(CC(=O)OC)c1ccccn1 ZINC000429674603 447755342 /nfs/dbraw/zinc/75/53/42/447755342.db2.gz KTLJIFQKHVFNHA-KBXCAEBGSA-N 1 2 346.431 1.458 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCCO2)CC1 ZINC000491164376 447944689 /nfs/dbraw/zinc/94/46/89/447944689.db2.gz BAAUMTQIHKGZAE-INIZCTEOSA-N 1 2 331.464 1.726 20 30 EDEDLO C#C[C@@H](CC)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000491193116 447951085 /nfs/dbraw/zinc/95/10/85/447951085.db2.gz VUEGKEXYSOWOIJ-KRWDZBQOSA-N 1 2 342.443 1.884 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000491100888 447922533 /nfs/dbraw/zinc/92/25/33/447922533.db2.gz IEMQVZLFMSXSNB-LBPRGKRZSA-N 1 2 349.381 1.753 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccn(C(C)C)c2C)CC1 ZINC000491120727 447929641 /nfs/dbraw/zinc/92/96/41/447929641.db2.gz NCCWQZUHQHAECM-UHFFFAOYSA-N 1 2 344.459 1.275 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccn(C(C)C)c2C)CC1 ZINC000491120727 447929643 /nfs/dbraw/zinc/92/96/43/447929643.db2.gz NCCWQZUHQHAECM-UHFFFAOYSA-N 1 2 344.459 1.275 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CC=C)CC1 ZINC000491141516 447935357 /nfs/dbraw/zinc/93/53/57/447935357.db2.gz AUPIITQXZXPKPB-UHFFFAOYSA-N 1 2 327.457 1.872 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(-c3noc(C)n3)cc2)CC1 ZINC000491295907 447985859 /nfs/dbraw/zinc/98/58/59/447985859.db2.gz JSSVPQDAYXXZJM-UHFFFAOYSA-N 1 2 340.383 1.201 20 30 EDEDLO C=C(C)C[NH+]1CCC(Nc2nc(NC(C)(C)C)nc(NCC)[nH+]2)CC1 ZINC000553407928 447990127 /nfs/dbraw/zinc/99/01/27/447990127.db2.gz FOMASVGJCNWXMO-UHFFFAOYSA-N 1 2 347.511 1.810 20 30 EDEDLO C#C[C@@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)C(C)(C)C ZINC000491229562 447967653 /nfs/dbraw/zinc/96/76/53/447967653.db2.gz ICQDMEFWWZREFO-MRXNPFEDSA-N 1 2 348.491 1.278 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc3c(c2)nnn3C)n1 ZINC000491392274 448012828 /nfs/dbraw/zinc/01/28/28/448012828.db2.gz BLZWAJZJPJYXAT-UHFFFAOYSA-N 1 2 338.415 1.447 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc3c(c2)nnn3C)n1 ZINC000491392274 448012833 /nfs/dbraw/zinc/01/28/33/448012833.db2.gz BLZWAJZJPJYXAT-UHFFFAOYSA-N 1 2 338.415 1.447 20 30 EDEDLO C[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)NC1(C#N)CCCCC1 ZINC000497266894 448021227 /nfs/dbraw/zinc/02/12/27/448021227.db2.gz AKYLWYFBBFNWOO-UHFFFAOYSA-N 1 2 338.452 1.786 20 30 EDEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)NC1(C#N)CCCCC1 ZINC000497266894 448021230 /nfs/dbraw/zinc/02/12/30/448021230.db2.gz AKYLWYFBBFNWOO-UHFFFAOYSA-N 1 2 338.452 1.786 20 30 EDEDLO C#CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497299247 448052103 /nfs/dbraw/zinc/05/21/03/448052103.db2.gz QBNHBKADORVFTB-AWEZNQCLSA-N 1 2 337.464 1.703 20 30 EDEDLO C#CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497299247 448052106 /nfs/dbraw/zinc/05/21/06/448052106.db2.gz QBNHBKADORVFTB-AWEZNQCLSA-N 1 2 337.464 1.703 20 30 EDEDLO CC[C@@H](C#N)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000499089099 448081363 /nfs/dbraw/zinc/08/13/63/448081363.db2.gz HBQQPEQTUFBCBP-NORZTCDRSA-N 1 2 329.404 1.281 20 30 EDEDLO COc1cc(/C=C\C(=O)N(C)Cc2[nH]cc[nH+]2)ccc1OCC#N ZINC000491724305 448091120 /nfs/dbraw/zinc/09/11/20/448091120.db2.gz AIWMVPWWHBNANV-XQRVVYSFSA-N 1 2 326.356 1.992 20 30 EDEDLO C#C[C@@H](C)N(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)[C@H](C)C#C)c1 ZINC000491740426 448096119 /nfs/dbraw/zinc/09/61/19/448096119.db2.gz JXDNGTGVXONYBF-ZIAGYGMSSA-N 1 2 342.399 1.945 20 30 EDEDLO C#C[C@@H](C)N(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)[C@H](C)C#C)c1 ZINC000491740426 448096121 /nfs/dbraw/zinc/09/61/21/448096121.db2.gz JXDNGTGVXONYBF-ZIAGYGMSSA-N 1 2 342.399 1.945 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C3CCC3)CCC2)CC1 ZINC000491618530 448066533 /nfs/dbraw/zinc/06/65/33/448066533.db2.gz LNCGJDZAKNGJDK-UHFFFAOYSA-N 1 2 331.460 1.241 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C3CCC3)CCC2)CC1 ZINC000491618530 448066537 /nfs/dbraw/zinc/06/65/37/448066537.db2.gz LNCGJDZAKNGJDK-UHFFFAOYSA-N 1 2 331.460 1.241 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](CC)(c2ccc(OC)cc2)C1=O ZINC000491780761 448120275 /nfs/dbraw/zinc/12/02/75/448120275.db2.gz KXDMAGXYKGXJFI-FZKQIMNGSA-N 1 2 329.400 1.763 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](CC)(c2ccc(OC)cc2)C1=O ZINC000491780761 448120279 /nfs/dbraw/zinc/12/02/79/448120279.db2.gz KXDMAGXYKGXJFI-FZKQIMNGSA-N 1 2 329.400 1.763 20 30 EDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000491790290 448123819 /nfs/dbraw/zinc/12/38/19/448123819.db2.gz YIRDICBTWSNIRP-GFCCVEGCSA-N 1 2 335.791 1.102 20 30 EDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000491790290 448123823 /nfs/dbraw/zinc/12/38/23/448123823.db2.gz YIRDICBTWSNIRP-GFCCVEGCSA-N 1 2 335.791 1.102 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000560410320 448217927 /nfs/dbraw/zinc/21/79/27/448217927.db2.gz FFZKOWLQGAVIER-CABCVRRESA-N 1 2 332.404 1.692 20 30 EDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000591068337 448251690 /nfs/dbraw/zinc/25/16/90/448251690.db2.gz IFMIYGCCECYXKE-FGTMMUONSA-N 1 2 325.412 1.595 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cccc(C#N)c2)C1 ZINC000571979575 448251973 /nfs/dbraw/zinc/25/19/73/448251973.db2.gz PRMCPCUJWIXMOW-INIZCTEOSA-N 1 2 329.400 1.102 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cc2cccc(C#N)c2)C1 ZINC000571979575 448251974 /nfs/dbraw/zinc/25/19/74/448251974.db2.gz PRMCPCUJWIXMOW-INIZCTEOSA-N 1 2 329.400 1.102 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C#N)C1 ZINC000492760111 448282347 /nfs/dbraw/zinc/28/23/47/448282347.db2.gz DDUSLEXEHNCKLK-DSYXLKISSA-N 1 2 331.376 1.394 20 30 EDEDLO CCCN(C(=O)[C@H](C)[NH2+][C@@H](CC)CC#N)[C@H]1CCS(=O)(=O)C1 ZINC000565175433 448358001 /nfs/dbraw/zinc/35/80/01/448358001.db2.gz UZGBPVJQIQOUQB-IHRRRGAJSA-N 1 2 329.466 1.082 20 30 EDEDLO C[C@@H](Cc1cnc2ccccc2n1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000572487794 448391871 /nfs/dbraw/zinc/39/18/71/448391871.db2.gz QSEMGARUIGMSRC-SCLBCKFNSA-N 1 2 325.416 1.768 20 30 EDEDLO N#CCc1ccc(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000566159135 448399276 /nfs/dbraw/zinc/39/92/76/448399276.db2.gz WOSWNTWORHJIEW-UHFFFAOYSA-N 1 2 338.415 1.503 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000583062206 448413104 /nfs/dbraw/zinc/41/31/04/448413104.db2.gz UKPJVOGOKLAQNM-SJLPKXTDSA-N 1 2 343.427 1.450 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000583062206 448413112 /nfs/dbraw/zinc/41/31/12/448413112.db2.gz UKPJVOGOKLAQNM-SJLPKXTDSA-N 1 2 343.427 1.450 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)cn1)C1CCOCC1 ZINC000516099464 448379932 /nfs/dbraw/zinc/37/99/32/448379932.db2.gz BMIZWMUDBQRRGS-OAHLLOKOSA-N 1 2 325.372 1.584 20 30 EDEDLO CC[NH+]1CCN(c2ccc(CNC(=O)NCC3(C#N)CC3)cn2)CC1 ZINC000578109515 448462258 /nfs/dbraw/zinc/46/22/58/448462258.db2.gz XPHJTQSELWFUJX-UHFFFAOYSA-N 1 2 342.447 1.326 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000584299223 448478238 /nfs/dbraw/zinc/47/82/38/448478238.db2.gz CHSKRXRMNLXLMH-INIZCTEOSA-N 1 2 335.429 1.137 20 30 EDEDLO Cc1cc(NC(=O)N(CCC#N)CCN2CCOCC2)c(C)c[nH+]1 ZINC000535059733 448481127 /nfs/dbraw/zinc/48/11/27/448481127.db2.gz VNWJFYGUZXYMKY-UHFFFAOYSA-N 1 2 331.420 1.200 20 30 EDEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(Nc2ccccn2)CC1)C1CC1 ZINC000535577056 448495992 /nfs/dbraw/zinc/49/59/92/448495992.db2.gz ZAMSFOJGVYNLTO-GOSISDBHSA-N 1 2 327.432 1.766 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@H](CNc2ncncc2C#N)c2cccs2)CCO1 ZINC000516923860 448498057 /nfs/dbraw/zinc/49/80/57/448498057.db2.gz ZBARYIJEWBUTNF-TZMCWYRMSA-N 1 2 329.429 1.706 20 30 EDEDLO C[C@@H]1C[N@H+]([C@H](CNc2ncncc2C#N)c2cccs2)CCO1 ZINC000516923860 448498063 /nfs/dbraw/zinc/49/80/63/448498063.db2.gz ZBARYIJEWBUTNF-TZMCWYRMSA-N 1 2 329.429 1.706 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(OCC(F)(F)F)cn1 ZINC000578326898 448518625 /nfs/dbraw/zinc/51/86/25/448518625.db2.gz JYULOUWHRICVRT-CYBMUJFWSA-N 1 2 330.310 1.596 20 30 EDEDLO CC(C)OC[C@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528455647 448535766 /nfs/dbraw/zinc/53/57/66/448535766.db2.gz JQZSCHIEDXRBIC-DLBZAZTESA-N 1 2 334.416 1.424 20 30 EDEDLO CC(C)OC[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528455647 448535771 /nfs/dbraw/zinc/53/57/71/448535771.db2.gz JQZSCHIEDXRBIC-DLBZAZTESA-N 1 2 334.416 1.424 20 30 EDEDLO C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CO1 ZINC000584718057 448607756 /nfs/dbraw/zinc/60/77/56/448607756.db2.gz OFIXSYNZHCAISL-PBHICJAKSA-N 1 2 328.416 1.563 20 30 EDEDLO N#CCC(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000578664315 448608843 /nfs/dbraw/zinc/60/88/43/448608843.db2.gz JOTCBAWJMGFFBK-UHFFFAOYSA-N 1 2 331.401 1.006 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528776067 448670392 /nfs/dbraw/zinc/67/03/92/448670392.db2.gz VJCXGGLGHBUAMY-FQLMCAECSA-N 1 2 341.477 1.081 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528776067 448670395 /nfs/dbraw/zinc/67/03/95/448670395.db2.gz VJCXGGLGHBUAMY-FQLMCAECSA-N 1 2 341.477 1.081 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000541782723 448693376 /nfs/dbraw/zinc/69/33/76/448693376.db2.gz XEMGSBQCJJLJMG-ZDUSSCGKSA-N 1 2 332.747 1.449 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000541782723 448693381 /nfs/dbraw/zinc/69/33/81/448693381.db2.gz XEMGSBQCJJLJMG-ZDUSSCGKSA-N 1 2 332.747 1.449 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000592148474 448708591 /nfs/dbraw/zinc/70/85/91/448708591.db2.gz YUVCIMMOGKRVAU-AWEZNQCLSA-N 1 2 327.306 1.994 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000592148474 448708593 /nfs/dbraw/zinc/70/85/93/448708593.db2.gz YUVCIMMOGKRVAU-AWEZNQCLSA-N 1 2 327.306 1.994 20 30 EDEDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)cccc1[N+](=O)[O-] ZINC000592149621 448709965 /nfs/dbraw/zinc/70/99/65/448709965.db2.gz SGNHXWBOHKVHEU-MLGOLLRUSA-N 1 2 332.360 1.581 20 30 EDEDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)cccc1[N+](=O)[O-] ZINC000592149621 448709972 /nfs/dbraw/zinc/70/99/72/448709972.db2.gz SGNHXWBOHKVHEU-MLGOLLRUSA-N 1 2 332.360 1.581 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528789030 448678070 /nfs/dbraw/zinc/67/80/70/448678070.db2.gz RXVNXQYDEVRZPB-NEDVNLPGSA-N 1 2 331.441 1.871 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528789030 448678076 /nfs/dbraw/zinc/67/80/76/448678076.db2.gz RXVNXQYDEVRZPB-NEDVNLPGSA-N 1 2 331.441 1.871 20 30 EDEDLO N#CCCC1CCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000592294453 448776705 /nfs/dbraw/zinc/77/67/05/448776705.db2.gz ZNWYOBRKXJFZSR-UHFFFAOYSA-N 1 2 325.372 1.815 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(C)o1 ZINC000545502210 448797983 /nfs/dbraw/zinc/79/79/83/448797983.db2.gz DMHZDWQDJREJMU-UHFFFAOYSA-N 1 2 340.383 1.964 20 30 EDEDLO N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)cc2)c1N ZINC000587045236 448833251 /nfs/dbraw/zinc/83/32/51/448833251.db2.gz JIQNIDIFRJKEQX-AWEZNQCLSA-N 1 2 347.382 1.267 20 30 EDEDLO C=CCc1cc(CNc2nc[nH+]c(N)c2OC)cc(OC)c1OC ZINC000581022527 448963776 /nfs/dbraw/zinc/96/37/76/448963776.db2.gz XXSUYQFOAQDVMA-UHFFFAOYSA-N 1 2 330.388 2.425 20 30 EDEDLO C=CCc1cc(CNc2[nH+]cnc(N)c2OC)cc(OC)c1OC ZINC000581022527 448963780 /nfs/dbraw/zinc/96/37/80/448963780.db2.gz XXSUYQFOAQDVMA-UHFFFAOYSA-N 1 2 330.388 2.425 20 30 EDEDLO N#CC1(NC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)C2)CCCCC1 ZINC000521365953 448974572 /nfs/dbraw/zinc/97/45/72/448974572.db2.gz FSJPPHMOUYSBHH-MRXNPFEDSA-N 1 2 334.464 1.126 20 30 EDEDLO Cc1cc2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc2n(C)c1=O ZINC000580316407 448945497 /nfs/dbraw/zinc/94/54/97/448945497.db2.gz BFZXXZLPYBCLHM-INIZCTEOSA-N 1 2 328.416 1.465 20 30 EDEDLO Cc1cc2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc2n(C)c1=O ZINC000580316407 448945502 /nfs/dbraw/zinc/94/55/02/448945502.db2.gz BFZXXZLPYBCLHM-INIZCTEOSA-N 1 2 328.416 1.465 20 30 EDEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000595612229 449078943 /nfs/dbraw/zinc/07/89/43/449078943.db2.gz UCJVQZDDTQKLMW-LLVKDONJSA-N 1 2 346.343 1.888 20 30 EDEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000595612229 449078945 /nfs/dbraw/zinc/07/89/45/449078945.db2.gz UCJVQZDDTQKLMW-LLVKDONJSA-N 1 2 346.343 1.888 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CC2(C#N)CC2)CC1 ZINC000590335250 449133231 /nfs/dbraw/zinc/13/32/31/449133231.db2.gz GHPXGMZHMWHKGV-UHFFFAOYSA-N 1 2 340.427 1.983 20 30 EDEDLO N#CCCOCCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000590128221 449110969 /nfs/dbraw/zinc/11/09/69/449110969.db2.gz OTRPHVXXZXDDDE-INIZCTEOSA-N 1 2 342.403 1.177 20 30 EDEDLO N#CCCOCCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000590128221 449110971 /nfs/dbraw/zinc/11/09/71/449110971.db2.gz OTRPHVXXZXDDDE-INIZCTEOSA-N 1 2 342.403 1.177 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2sccc2C#N)C1 ZINC000590237991 449119246 /nfs/dbraw/zinc/11/92/46/449119246.db2.gz OFWKBQCLIQAUQA-CQSZACIVSA-N 1 2 340.408 1.861 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2sccc2C#N)C1 ZINC000590237991 449119248 /nfs/dbraw/zinc/11/92/48/449119248.db2.gz OFWKBQCLIQAUQA-CQSZACIVSA-N 1 2 340.408 1.861 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(CC#N)cc1)C(C)(C)CO ZINC000597844843 449119398 /nfs/dbraw/zinc/11/93/98/449119398.db2.gz CTCBABZWOAZPGM-OAHLLOKOSA-N 1 2 326.400 1.976 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC(=O)N(C)CC2)c1C ZINC000595788773 449166434 /nfs/dbraw/zinc/16/64/34/449166434.db2.gz XHACRUCTLJWTLB-UHFFFAOYSA-N 1 2 342.443 1.714 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC(=O)N(C)CC2)c1C ZINC000595788773 449166439 /nfs/dbraw/zinc/16/64/39/449166439.db2.gz XHACRUCTLJWTLB-UHFFFAOYSA-N 1 2 342.443 1.714 20 30 EDEDLO C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1[nH+]ccn1C ZINC000595845512 449202635 /nfs/dbraw/zinc/20/26/35/449202635.db2.gz OIFUGBLDFZCFRH-ZDUSSCGKSA-N 1 2 339.403 1.280 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H](C)CO1 ZINC000598000772 449186708 /nfs/dbraw/zinc/18/67/08/449186708.db2.gz ZYRDWENNXKIWHP-UONOGXRCSA-N 1 2 345.418 1.954 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H](C)CO1 ZINC000598000772 449186716 /nfs/dbraw/zinc/18/67/16/449186716.db2.gz ZYRDWENNXKIWHP-UONOGXRCSA-N 1 2 345.418 1.954 20 30 EDEDLO COC(=O)[C@](C)([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C1CC1 ZINC000611244916 449236172 /nfs/dbraw/zinc/23/61/72/449236172.db2.gz IGUTZXKNDFZZIK-CRAIPNDOSA-N 1 2 332.400 1.424 20 30 EDEDLO Cc1noc([C@H]2CN(Cc3c[nH+]c4ccc(C#N)cn34)C[C@@H](C)O2)n1 ZINC000600204107 449240934 /nfs/dbraw/zinc/24/09/34/449240934.db2.gz NKPINPKQKNMMHI-IAQYHMDHSA-N 1 2 338.371 1.859 20 30 EDEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)Cc1ccc(F)cc1C#N)CC2 ZINC000590754708 449274629 /nfs/dbraw/zinc/27/46/29/449274629.db2.gz IYOODGHUMMIRAD-UHFFFAOYSA-N 1 2 334.376 1.548 20 30 EDEDLO CCC(=O)N[C@@H]1CCCN(c2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000604559685 449257803 /nfs/dbraw/zinc/25/78/03/449257803.db2.gz KKUFOQXGYIHISU-GFCCVEGCSA-N 1 2 327.392 1.235 20 30 EDEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000604571529 449258919 /nfs/dbraw/zinc/25/89/19/449258919.db2.gz AKEFTYLUXDAENA-QGZVFWFLSA-N 1 2 341.390 1.821 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000611349084 449268780 /nfs/dbraw/zinc/26/87/80/449268780.db2.gz WSTUDLQHLQCWMJ-AWEZNQCLSA-N 1 2 334.445 1.355 20 30 EDEDLO N#Cc1cc(F)cc(NC(=O)C(=O)NC[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000602039867 449292198 /nfs/dbraw/zinc/29/21/98/449292198.db2.gz VIYWGTHCAZOYLX-LBPRGKRZSA-N 1 2 341.346 1.526 20 30 EDEDLO C[N@H+](CC(=O)N1CCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000611515067 449317593 /nfs/dbraw/zinc/31/75/93/449317593.db2.gz GVXFOLFEAAYCNU-QGZVFWFLSA-N 1 2 340.427 1.608 20 30 EDEDLO C[N@@H+](CC(=O)N1CCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000611515067 449317600 /nfs/dbraw/zinc/31/76/00/449317600.db2.gz GVXFOLFEAAYCNU-QGZVFWFLSA-N 1 2 340.427 1.608 20 30 EDEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000593536228 449332210 /nfs/dbraw/zinc/33/22/10/449332210.db2.gz OQCHOWHUMLSGET-UHFFFAOYSA-N 1 2 333.457 1.956 20 30 EDEDLO N#Cc1ccc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)cn1 ZINC000596514265 449537181 /nfs/dbraw/zinc/53/71/81/449537181.db2.gz FANDECJOIDAKMQ-LJQANCHMSA-N 1 2 338.411 1.629 20 30 EDEDLO N#Cc1ccc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)cn1 ZINC000596514265 449537187 /nfs/dbraw/zinc/53/71/87/449537187.db2.gz FANDECJOIDAKMQ-LJQANCHMSA-N 1 2 338.411 1.629 20 30 EDEDLO COc1ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC(F)F ZINC000602335941 449522893 /nfs/dbraw/zinc/52/28/93/449522893.db2.gz VVQANNZETJXCPY-MRXNPFEDSA-N 1 2 341.358 1.799 20 30 EDEDLO C[C@@H]1CN(c2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000602335204 449523136 /nfs/dbraw/zinc/52/31/36/449523136.db2.gz VIYWMCXAJXPMFJ-CLCXKQKWSA-N 1 2 344.459 1.874 20 30 EDEDLO N#Cc1nccc(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)n1 ZINC000594556192 449574849 /nfs/dbraw/zinc/57/48/49/449574849.db2.gz SJPKDIJAMAKQIM-MRXNPFEDSA-N 1 2 348.410 1.276 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000596688732 449607567 /nfs/dbraw/zinc/60/75/67/449607567.db2.gz UBFLSQRVHSFKKP-APWZRJJASA-N 1 2 349.438 1.924 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000596688732 449607570 /nfs/dbraw/zinc/60/75/70/449607570.db2.gz UBFLSQRVHSFKKP-APWZRJJASA-N 1 2 349.438 1.924 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596703678 449615284 /nfs/dbraw/zinc/61/52/84/449615284.db2.gz QZRYYVURZBZWNU-OAHLLOKOSA-N 1 2 344.415 1.895 20 30 EDEDLO CS(=O)(=O)C1(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CCCCC1 ZINC000594728521 449652729 /nfs/dbraw/zinc/65/27/29/449652729.db2.gz OZHDHRKSFGFOHN-OAHLLOKOSA-N 1 2 349.456 1.422 20 30 EDEDLO Cn1cc[nH+]c1CN1CCCN(C(=O)c2ccccc2CC#N)CC1 ZINC000601040231 449669300 /nfs/dbraw/zinc/66/93/00/449669300.db2.gz OPHXCPZRWVKTQA-UHFFFAOYSA-N 1 2 337.427 1.834 20 30 EDEDLO N#Cc1ccc(Br)c(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000601068531 449677938 /nfs/dbraw/zinc/67/79/38/449677938.db2.gz GKJRSKYKUFSRJC-LBPRGKRZSA-N 1 2 341.205 1.393 20 30 EDEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000614605575 449707117 /nfs/dbraw/zinc/70/71/17/449707117.db2.gz GZDKXFNMYJGFKC-AEFFLSMTSA-N 1 2 345.443 1.435 20 30 EDEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000614605575 449707124 /nfs/dbraw/zinc/70/71/24/449707124.db2.gz GZDKXFNMYJGFKC-AEFFLSMTSA-N 1 2 345.443 1.435 20 30 EDEDLO CCOC(=O)c1c(NC(=O)N(C)Cc2c[nH+]c[nH]2)c(C#N)cn1CC ZINC000596940553 449726952 /nfs/dbraw/zinc/72/69/52/449726952.db2.gz WQUICGKRUJWWKL-UHFFFAOYSA-N 1 2 344.375 1.943 20 30 EDEDLO CCOC(=O)c1c(NC(=O)N(C)Cc2c[nH]c[nH+]2)c(C#N)cn1CC ZINC000596940553 449726953 /nfs/dbraw/zinc/72/69/53/449726953.db2.gz WQUICGKRUJWWKL-UHFFFAOYSA-N 1 2 344.375 1.943 20 30 EDEDLO COc1cc(OC)c2ncc(C#N)c(NC[C@H]3COCC[N@@H+]3C)c2c1 ZINC000599160149 449769379 /nfs/dbraw/zinc/76/93/79/449769379.db2.gz FXOAKUIVCBACAM-ZDUSSCGKSA-N 1 2 342.399 1.866 20 30 EDEDLO COc1cc(OC)c2ncc(C#N)c(NC[C@H]3COCC[N@H+]3C)c2c1 ZINC000599160149 449769383 /nfs/dbraw/zinc/76/93/83/449769383.db2.gz FXOAKUIVCBACAM-ZDUSSCGKSA-N 1 2 342.399 1.866 20 30 EDEDLO C[C@@H]1[C@H](C)[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C(=O)N1C ZINC000602846240 449853706 /nfs/dbraw/zinc/85/37/06/449853706.db2.gz DPBSBJWLGVIKCD-RDBSUJKOSA-N 1 2 328.416 1.114 20 30 EDEDLO C[C@@H]1[C@H](C)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C(=O)N1C ZINC000602846240 449853712 /nfs/dbraw/zinc/85/37/12/449853712.db2.gz DPBSBJWLGVIKCD-RDBSUJKOSA-N 1 2 328.416 1.114 20 30 EDEDLO C[C@H]1C[NH+](Cc2ccc(OCC(F)(F)F)nn2)C[C@H](C)N1CC#N ZINC000602847347 449854527 /nfs/dbraw/zinc/85/45/27/449854527.db2.gz AOGGWBQWHVOVBY-RYUDHWBXSA-N 1 2 343.353 1.836 20 30 EDEDLO N#Cc1cnc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)s1 ZINC000612735339 449855005 /nfs/dbraw/zinc/85/50/05/449855005.db2.gz QKHIJOCVRZXMPM-UHFFFAOYSA-N 1 2 345.409 2.060 20 30 EDEDLO C[C@@H]1C[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C[C@H](C)N1CC#N ZINC000602866687 449876016 /nfs/dbraw/zinc/87/60/16/449876016.db2.gz WZMNOZYJQATKRJ-RVKKMQEKSA-N 1 2 326.444 1.924 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C[C@H](C)N1CC#N ZINC000602866687 449876018 /nfs/dbraw/zinc/87/60/18/449876018.db2.gz WZMNOZYJQATKRJ-RVKKMQEKSA-N 1 2 326.444 1.924 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1C#N ZINC000595125968 449886147 /nfs/dbraw/zinc/88/61/47/449886147.db2.gz LOGWJUWGQKUMHM-ZIAGYGMSSA-N 1 2 344.415 1.031 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1C#N ZINC000595125968 449886149 /nfs/dbraw/zinc/88/61/49/449886149.db2.gz LOGWJUWGQKUMHM-ZIAGYGMSSA-N 1 2 344.415 1.031 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccccc2CC#N)C1 ZINC000601378819 449895261 /nfs/dbraw/zinc/89/52/61/449895261.db2.gz OQZOTSLRQFDVRV-CQSZACIVSA-N 1 2 330.413 1.664 20 30 EDEDLO N#Cc1cc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)ncn1 ZINC000617952633 449948301 /nfs/dbraw/zinc/94/83/01/449948301.db2.gz FYIRMFQSTRLFIO-INIZCTEOSA-N 1 2 343.818 1.857 20 30 EDEDLO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602901913 449909479 /nfs/dbraw/zinc/90/94/79/449909479.db2.gz RNCQTWUFCQCJMA-DLBZAZTESA-N 1 2 349.456 1.247 20 30 EDEDLO COCCc1nc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)no1 ZINC000602909139 449912672 /nfs/dbraw/zinc/91/26/72/449912672.db2.gz ZVLPHDAFDCMEQR-UHFFFAOYSA-N 1 2 327.388 1.905 20 30 EDEDLO COc1ccc(CCNC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000602973582 449974296 /nfs/dbraw/zinc/97/42/96/449974296.db2.gz BXBHBPQHOUKPIU-HZPDHXFCSA-N 1 2 345.443 1.987 20 30 EDEDLO COc1ccc(CCNC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1OC ZINC000602973582 449974302 /nfs/dbraw/zinc/97/43/02/449974302.db2.gz BXBHBPQHOUKPIU-HZPDHXFCSA-N 1 2 345.443 1.987 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443048 449979258 /nfs/dbraw/zinc/97/92/58/449979258.db2.gz CCBQMXCDNIWZSD-AWEZNQCLSA-N 1 2 331.416 1.889 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599443048 449979262 /nfs/dbraw/zinc/97/92/62/449979262.db2.gz CCBQMXCDNIWZSD-AWEZNQCLSA-N 1 2 331.416 1.889 20 30 EDEDLO N#CC1(CC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CCCCC1 ZINC000597381810 449986160 /nfs/dbraw/zinc/98/61/60/449986160.db2.gz ITOKTZRDJQHERP-QGZVFWFLSA-N 1 2 349.475 1.800 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595284755 450002401 /nfs/dbraw/zinc/00/24/01/450002401.db2.gz DWNNRWIMCUUKIN-UHFFFAOYSA-N 1 2 336.367 1.154 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000595295327 450010589 /nfs/dbraw/zinc/01/05/89/450010589.db2.gz ITLRAUZMFGVJOV-IYBDPMFKSA-N 1 2 329.448 1.184 20 30 EDEDLO N#CCN1CCC(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000609336334 450011998 /nfs/dbraw/zinc/01/19/98/450011998.db2.gz GGNJHFVJDWDVBN-UHFFFAOYSA-N 1 2 342.447 1.338 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C1 ZINC000601497634 450017092 /nfs/dbraw/zinc/01/70/92/450017092.db2.gz ZINGKVSAEDNZHS-CYBMUJFWSA-N 1 2 340.431 1.175 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C1 ZINC000601497634 450017099 /nfs/dbraw/zinc/01/70/99/450017099.db2.gz ZINGKVSAEDNZHS-CYBMUJFWSA-N 1 2 340.431 1.175 20 30 EDEDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000599563579 450062501 /nfs/dbraw/zinc/06/25/01/450062501.db2.gz MQJBKZCVSMQISW-KRWDZBQOSA-N 1 2 342.355 1.372 20 30 EDEDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000599563579 450062506 /nfs/dbraw/zinc/06/25/06/450062506.db2.gz MQJBKZCVSMQISW-KRWDZBQOSA-N 1 2 342.355 1.372 20 30 EDEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)ncc1C#N ZINC000603115517 450077730 /nfs/dbraw/zinc/07/77/30/450077730.db2.gz ZRQXDSALFOXJKB-UHFFFAOYSA-N 1 2 336.399 2.006 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)c1C#N ZINC000615468720 450107116 /nfs/dbraw/zinc/10/71/16/450107116.db2.gz SHKZWOAAPJPBAB-UONOGXRCSA-N 1 2 328.416 1.616 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)c1C#N ZINC000615468720 450107121 /nfs/dbraw/zinc/10/71/21/450107121.db2.gz SHKZWOAAPJPBAB-UONOGXRCSA-N 1 2 328.416 1.616 20 30 EDEDLO C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000613268653 450110816 /nfs/dbraw/zinc/11/08/16/450110816.db2.gz ZHRDTILOONQUFK-AWEZNQCLSA-N 1 2 337.445 1.261 20 30 EDEDLO N#C[C@]1(F)CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000615529286 450125524 /nfs/dbraw/zinc/12/55/24/450125524.db2.gz UVNWCDHMVXBVIB-SJLPKXTDSA-N 1 2 346.406 1.707 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000597622009 450151152 /nfs/dbraw/zinc/15/11/52/450151152.db2.gz QEXLDRFCWHNEHT-UHFFFAOYSA-N 1 2 340.387 1.561 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000599688819 450154271 /nfs/dbraw/zinc/15/42/71/450154271.db2.gz BNEPMJJXAGJUAR-LBPRGKRZSA-N 1 2 325.409 1.459 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000599688819 450154277 /nfs/dbraw/zinc/15/42/77/450154277.db2.gz BNEPMJJXAGJUAR-LBPRGKRZSA-N 1 2 325.409 1.459 20 30 EDEDLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613391029 450162125 /nfs/dbraw/zinc/16/21/25/450162125.db2.gz ILVQAWNTPUMWOE-NVXWUHKLSA-N 1 2 332.400 1.520 20 30 EDEDLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613391029 450162131 /nfs/dbraw/zinc/16/21/31/450162131.db2.gz ILVQAWNTPUMWOE-NVXWUHKLSA-N 1 2 332.400 1.520 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@](F)(C#N)C1 ZINC000615639517 450180751 /nfs/dbraw/zinc/18/07/51/450180751.db2.gz MDWCRMBPTACWGW-RHSMWYFYSA-N 1 2 331.395 1.056 20 30 EDEDLO CC[C@@H](C#N)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601645449 450138315 /nfs/dbraw/zinc/13/83/15/450138315.db2.gz LUMARHSBRFJYSH-INIZCTEOSA-N 1 2 333.457 1.417 20 30 EDEDLO C=C[C@@](C)(O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000613504341 450203439 /nfs/dbraw/zinc/20/34/39/450203439.db2.gz ORONKBNLUJSJAB-CQSZACIVSA-N 1 2 338.205 1.958 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597710066 450213948 /nfs/dbraw/zinc/21/39/48/450213948.db2.gz PYQBWVDCIUYORW-WBVHZDCISA-N 1 2 343.427 1.649 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3nc4c(s3)CCC4)CC2)c1C#N ZINC000615968202 450286818 /nfs/dbraw/zinc/28/68/18/450286818.db2.gz SANRLWUVHOAAEA-UHFFFAOYSA-N 1 2 342.472 1.868 20 30 EDEDLO CC[C@H](CC#N)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000613855711 450338631 /nfs/dbraw/zinc/33/86/31/450338631.db2.gz GGVDWFVHVRGPMG-CQSZACIVSA-N 1 2 343.431 1.888 20 30 EDEDLO C=C(C)C(C)(C)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619946354 450381825 /nfs/dbraw/zinc/38/18/25/450381825.db2.gz USEZHJLCVCIXLE-HXUWFJFHSA-N 1 2 346.471 1.968 20 30 EDEDLO C=C(C)C(C)(C)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619946354 450381826 /nfs/dbraw/zinc/38/18/26/450381826.db2.gz USEZHJLCVCIXLE-HXUWFJFHSA-N 1 2 346.471 1.968 20 30 EDEDLO CCOCC[NH+]1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 ZINC000619483158 450486288 /nfs/dbraw/zinc/48/62/88/450486288.db2.gz VLPSUTYZTIDSTI-UHFFFAOYSA-N 1 2 337.445 1.095 20 30 EDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1nn(C)cc1C#N ZINC000619536890 450500655 /nfs/dbraw/zinc/50/06/55/450500655.db2.gz ACJJUPZJSJCCFT-ZDUSSCGKSA-N 1 2 327.392 2.267 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000626165653 450597186 /nfs/dbraw/zinc/59/71/86/450597186.db2.gz CAXXBROEYRWNAD-AWEZNQCLSA-N 1 2 340.876 1.953 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000626165653 450597191 /nfs/dbraw/zinc/59/71/91/450597191.db2.gz CAXXBROEYRWNAD-AWEZNQCLSA-N 1 2 340.876 1.953 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633296735 450781033 /nfs/dbraw/zinc/78/10/33/450781033.db2.gz HWUCRBOSIMWRFX-CABCVRRESA-N 1 2 348.472 1.778 20 30 EDEDLO C=CCN(C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000630796217 451408594 /nfs/dbraw/zinc/40/85/94/451408594.db2.gz LKKUXGRIAXLAHU-HNNXBMFYSA-N 1 2 345.424 1.892 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCC(c3ccccc3)=N2)nn1 ZINC000640845151 451632125 /nfs/dbraw/zinc/63/21/25/451632125.db2.gz PMCQROGGFXQDSX-UHFFFAOYSA-N 1 2 336.399 1.028 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(-c3cc(C)oc3C)o2)nn1 ZINC000640854409 451639814 /nfs/dbraw/zinc/63/98/14/451639814.db2.gz VKCKDZMKTFOTNB-UHFFFAOYSA-N 1 2 326.360 1.699 20 30 EDEDLO C=C(C)[C@H](CO)n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000649481009 452103807 /nfs/dbraw/zinc/10/38/07/452103807.db2.gz GFADGOVIHDEVMO-HOTGVXAUSA-N 1 2 329.404 1.356 20 30 EDEDLO C=C(C)[C@H](CO)n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000649481009 452103815 /nfs/dbraw/zinc/10/38/15/452103815.db2.gz GFADGOVIHDEVMO-HOTGVXAUSA-N 1 2 329.404 1.356 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccnn2CC2CCC2)CC1 ZINC000637881005 452133202 /nfs/dbraw/zinc/13/32/02/452133202.db2.gz ZAJQXBXDZVPARU-UHFFFAOYSA-N 1 2 331.464 1.103 20 30 EDEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637888111 452139912 /nfs/dbraw/zinc/13/99/12/452139912.db2.gz DMEINBLGSARAPN-LLVKDONJSA-N 1 2 341.864 1.736 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)nn1 ZINC000657437679 452247363 /nfs/dbraw/zinc/24/73/63/452247363.db2.gz WZWBVSOGMPDNAO-UHFFFAOYSA-N 1 2 346.410 1.515 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000657864967 452575579 /nfs/dbraw/zinc/57/55/79/452575579.db2.gz JFQFONPXPHSQIR-UHFFFAOYSA-N 1 2 345.443 1.292 20 30 EDEDLO C=CCN1CC[C@@H](N(C)c2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)C1=O ZINC000663871276 452595365 /nfs/dbraw/zinc/59/53/65/452595365.db2.gz DSWXWNSIPFHVKP-GFCCVEGCSA-N 1 2 343.435 1.387 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nsc3ccccc32)CC1 ZINC000659811427 452699756 /nfs/dbraw/zinc/69/97/56/452699756.db2.gz SLUCUJQYFXGBNA-UHFFFAOYSA-N 1 2 330.457 1.716 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000658502328 453048246 /nfs/dbraw/zinc/04/82/46/453048246.db2.gz UAYUOUPDUTZHRX-HUUCEWRRSA-N 1 2 330.432 1.930 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000330358819 485575920 /nfs/dbraw/zinc/57/59/20/485575920.db2.gz VJAGLYPTAUZHSH-CABCVRRESA-N 1 2 348.403 1.198 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000330358819 485575925 /nfs/dbraw/zinc/57/59/25/485575925.db2.gz VJAGLYPTAUZHSH-CABCVRRESA-N 1 2 348.403 1.198 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1 ZINC000330358819 485575929 /nfs/dbraw/zinc/57/59/29/485575929.db2.gz VJAGLYPTAUZHSH-CABCVRRESA-N 1 2 348.403 1.198 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1 ZINC000330358819 485575932 /nfs/dbraw/zinc/57/59/32/485575932.db2.gz VJAGLYPTAUZHSH-CABCVRRESA-N 1 2 348.403 1.198 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000491767160 486588868 /nfs/dbraw/zinc/58/88/68/486588868.db2.gz HYFTZXGSYHTZKX-YJBOKZPZSA-N 1 2 329.448 1.781 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000491767160 486588870 /nfs/dbraw/zinc/58/88/70/486588870.db2.gz HYFTZXGSYHTZKX-YJBOKZPZSA-N 1 2 329.448 1.781 20 30 EDEDLO Cc1ncc(C[NH+]2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)s1 ZINC000105813792 534737872 /nfs/dbraw/zinc/73/78/72/534737872.db2.gz UOHZWMNWYOWMCC-KRWDZBQOSA-N 1 2 347.488 1.378 20 30 EDEDLO CC#CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000136049550 526376122 /nfs/dbraw/zinc/37/61/22/526376122.db2.gz YZCAEDZCKIOLFZ-MRXNPFEDSA-N 1 2 342.399 1.849 20 30 EDEDLO C=CCc1cc(C[N@@H+](C)CCS(=O)(=O)CC)cc(OC)c1O ZINC000093643341 527235518 /nfs/dbraw/zinc/23/55/18/527235518.db2.gz BGJOWKQBZGNSMQ-UHFFFAOYSA-N 1 2 327.446 1.996 20 30 EDEDLO C=CCc1cc(C[N@H+](C)CCS(=O)(=O)CC)cc(OC)c1O ZINC000093643341 527235523 /nfs/dbraw/zinc/23/55/23/527235523.db2.gz BGJOWKQBZGNSMQ-UHFFFAOYSA-N 1 2 327.446 1.996 20 30 EDEDLO COc1ccnc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)n1 ZINC000352870437 537117129 /nfs/dbraw/zinc/11/71/29/537117129.db2.gz QVHOWXJLJCNXIK-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO N#C[C@H](C(=O)C[N@@H+](CCCO)C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000740878811 579388018 /nfs/dbraw/zinc/38/80/18/579388018.db2.gz ZDSXMHQPYIIUKH-CQSZACIVSA-N 1 2 340.383 1.358 20 30 EDEDLO N#C[C@H](C(=O)C[N@H+](CCCO)C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000740878811 579388019 /nfs/dbraw/zinc/38/80/19/579388019.db2.gz ZDSXMHQPYIIUKH-CQSZACIVSA-N 1 2 340.383 1.358 20 30 EDEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2ccc(C#N)nc2)c1C ZINC000725829213 578285067 /nfs/dbraw/zinc/28/50/67/578285067.db2.gz CUHMOCZJRWYBFH-UHFFFAOYSA-N 1 2 332.385 1.452 20 30 EDEDLO N#CCN1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000730583228 578652674 /nfs/dbraw/zinc/65/26/74/578652674.db2.gz KYDBYYUNZOYGNE-UHFFFAOYSA-N 1 2 339.403 1.054 20 30 EDEDLO C[C@@H](O)C1CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000732211471 578697759 /nfs/dbraw/zinc/69/77/59/578697759.db2.gz RSTGOOWBKYRKNL-CYBMUJFWSA-N 1 2 326.400 1.513 20 30 EDEDLO CCC[C@H]1CC(=O)N(C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000760552835 580033608 /nfs/dbraw/zinc/03/36/08/580033608.db2.gz SQPVYINDWWXFAN-HNNXBMFYSA-N 1 2 327.432 1.681 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000732667264 578723196 /nfs/dbraw/zinc/72/31/96/578723196.db2.gz MXZFNHPUTCDLBE-PBHICJAKSA-N 1 2 349.862 1.129 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000733150352 578744981 /nfs/dbraw/zinc/74/49/81/578744981.db2.gz ITPCEPRRVBEHIR-WMZOPIPTSA-N 1 2 345.487 1.509 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000733150352 578744983 /nfs/dbraw/zinc/74/49/83/578744983.db2.gz ITPCEPRRVBEHIR-WMZOPIPTSA-N 1 2 345.487 1.509 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1 ZINC000733162076 578746319 /nfs/dbraw/zinc/74/63/19/578746319.db2.gz DYMBGKMKSVVKTQ-ZDUSSCGKSA-N 1 2 339.461 1.074 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)C(=O)c2ccc(Br)cc2)CC1 ZINC000733952509 578790869 /nfs/dbraw/zinc/79/08/69/578790869.db2.gz JTGIQOXXQXYRGR-UHFFFAOYSA-N 1 2 349.228 1.799 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000734134886 578799879 /nfs/dbraw/zinc/79/98/79/578799879.db2.gz HAJUBOKUUGBROC-UHFFFAOYSA-N 1 2 333.351 1.604 20 30 EDEDLO C=CCN1CC(=O)N(Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)C1=O ZINC000761001325 580044108 /nfs/dbraw/zinc/04/41/08/580044108.db2.gz CLVRKKRAAFBOAE-ZIAGYGMSSA-N 1 2 344.415 1.645 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000735938151 578939080 /nfs/dbraw/zinc/93/90/80/578939080.db2.gz SXOREVCHIOJTIM-UHFFFAOYSA-N 1 2 329.352 1.486 20 30 EDEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C(N)=O)Cc1ccc(F)cc1 ZINC000744209119 579503680 /nfs/dbraw/zinc/50/36/80/579503680.db2.gz XFKDBBYFIIUZDA-UHFFFAOYSA-N 1 2 339.370 1.999 20 30 EDEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C(N)=O)Cc1ccc(F)cc1 ZINC000744209119 579503682 /nfs/dbraw/zinc/50/36/82/579503682.db2.gz XFKDBBYFIIUZDA-UHFFFAOYSA-N 1 2 339.370 1.999 20 30 EDEDLO CC[C@H](C#N)Oc1cc(CNC(=O)Cn2cc[nH+]c2)ccc1OC ZINC000746261171 579582875 /nfs/dbraw/zinc/58/28/75/579582875.db2.gz FWSPXGTWLSCASO-CQSZACIVSA-N 1 2 328.372 1.889 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)OCC[NH+]2CCOCC2)cc1 ZINC000747697956 579654513 /nfs/dbraw/zinc/65/45/13/579654513.db2.gz GSYGYXIQKPALSI-KRWDZBQOSA-N 1 2 329.400 1.402 20 30 EDEDLO C#CCNC(=O)CO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000747831144 579659900 /nfs/dbraw/zinc/65/99/00/579659900.db2.gz BZULOXNHYOOKGP-UHFFFAOYSA-N 1 2 338.367 1.257 20 30 EDEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000748454052 579686776 /nfs/dbraw/zinc/68/67/76/579686776.db2.gz BNODABTVMHYLOI-DOMZBBRYSA-N 1 2 331.372 1.149 20 30 EDEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000748454052 579686778 /nfs/dbraw/zinc/68/67/78/579686778.db2.gz BNODABTVMHYLOI-DOMZBBRYSA-N 1 2 331.372 1.149 20 30 EDEDLO C#CCNC(=O)C1CCN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000750392703 579761670 /nfs/dbraw/zinc/76/16/70/579761670.db2.gz SEIDKVYVKBWOAN-UHFFFAOYSA-N 1 2 343.431 1.449 20 30 EDEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750502696 579767710 /nfs/dbraw/zinc/76/77/10/579767710.db2.gz MJTSCHKFPYQTMT-CJNGLKHVSA-N 1 2 332.375 1.471 20 30 EDEDLO C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000750502696 579767711 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VQEZOWCUSFIGMI-MRXNPFEDSA-N 1 2 342.443 1.213 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C)c(C)c2)C1 ZINC000891608365 591148766 /nfs/dbraw/zinc/14/87/66/591148766.db2.gz VQEZOWCUSFIGMI-MRXNPFEDSA-N 1 2 342.443 1.213 20 30 EDEDLO C[C@H]1C[NH+](Cc2ncc(Br)cc2O)C[C@H](C)N1CC#N ZINC000895969538 591314899 /nfs/dbraw/zinc/31/48/99/591314899.db2.gz NDZWXFFDQDEPBO-QWRGUYRKSA-N 1 2 339.237 1.968 20 30 EDEDLO C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896545260 591507445 /nfs/dbraw/zinc/50/74/45/591507445.db2.gz LHWZXIQWNWBVFT-YOEHRIQHSA-N 1 2 326.444 1.340 20 30 EDEDLO C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896545260 591507448 /nfs/dbraw/zinc/50/74/48/591507448.db2.gz LHWZXIQWNWBVFT-YOEHRIQHSA-N 1 2 326.444 1.340 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000896624916 591552722 /nfs/dbraw/zinc/55/27/22/591552722.db2.gz SIVPEQQCFABZGY-KRWDZBQOSA-N 1 2 349.475 1.800 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)cc1C#N ZINC000898843700 591560636 /nfs/dbraw/zinc/56/06/36/591560636.db2.gz AFLGMOBIGBYHCP-CHWSQXEVSA-N 1 2 346.456 1.983 20 30 EDEDLO COC(=O)[C@@H](C)Oc1ccccc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895075507 591568894 /nfs/dbraw/zinc/56/88/94/591568894.db2.gz SWQKATJZMCJICG-CQSZACIVSA-N 1 2 345.399 1.185 20 30 EDEDLO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895159766 591626210 /nfs/dbraw/zinc/62/62/10/591626210.db2.gz YGWDQVNZFIULCY-LBPRGKRZSA-N 1 2 335.795 1.699 20 30 EDEDLO C=CCC[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(=O)OCC ZINC000897918204 591721166 /nfs/dbraw/zinc/72/11/66/591721166.db2.gz AARVWCYOGHGVQN-DOMZBBRYSA-N 1 2 334.420 1.804 20 30 EDEDLO C=CCC[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(=O)OCC ZINC000897918204 591721171 /nfs/dbraw/zinc/72/11/71/591721171.db2.gz AARVWCYOGHGVQN-DOMZBBRYSA-N 1 2 334.420 1.804 20 30 EDEDLO C=CCC[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)C(=O)OCC ZINC000897918204 591721173 /nfs/dbraw/zinc/72/11/73/591721173.db2.gz AARVWCYOGHGVQN-DOMZBBRYSA-N 1 2 334.420 1.804 20 30 EDEDLO C=CCC[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)C(=O)OCC ZINC000897918204 591721180 /nfs/dbraw/zinc/72/11/80/591721180.db2.gz AARVWCYOGHGVQN-DOMZBBRYSA-N 1 2 334.420 1.804 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(F)nc2Br)nn1 ZINC000899745428 591931480 /nfs/dbraw/zinc/93/14/80/591931480.db2.gz GLVLCRILRGVPQI-UHFFFAOYSA-N 1 2 338.184 1.736 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCC(=O)N2C[C@H](C)OC(C)(C)C2)cc1 ZINC000902697610 592044888 /nfs/dbraw/zinc/04/48/88/592044888.db2.gz DMTJMNXSJWFQOB-LBPRGKRZSA-N 1 2 335.404 1.358 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@@](C)(O)C(F)(F)C(F)(F)F)nn1 ZINC000900621692 592073626 /nfs/dbraw/zinc/07/36/26/592073626.db2.gz KLYVDHHBTBQGLI-SNVBAGLBSA-N 1 2 326.269 1.340 20 30 EDEDLO C#CCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1F ZINC000908184066 592364862 /nfs/dbraw/zinc/36/48/62/592364862.db2.gz XERWMKKXUFWRHV-CQSZACIVSA-N 1 2 339.367 1.730 20 30 EDEDLO COc1cc(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)ccc1C#N ZINC000908285787 592424295 /nfs/dbraw/zinc/42/42/95/592424295.db2.gz MBEZJPVYPPETKK-NTEUORMPSA-N 1 2 329.400 1.462 20 30 EDEDLO C=CCC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CN(C(=O)OC(C)(C)C)C1 ZINC000908759237 592601582 /nfs/dbraw/zinc/60/15/82/592601582.db2.gz BTSZUJQAVXBFHK-ZDUSSCGKSA-N 1 2 346.431 1.737 20 30 EDEDLO C#CCNC(=O)CC[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1F ZINC000905687293 592612920 /nfs/dbraw/zinc/61/29/20/592612920.db2.gz NABSLWAKJBUNRS-MRXNPFEDSA-N 1 2 332.354 1.517 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000907420486 592642180 /nfs/dbraw/zinc/64/21/80/592642180.db2.gz VBBBKZDKEXLMIS-HOTGVXAUSA-N 1 2 336.482 1.526 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000907420486 592642182 /nfs/dbraw/zinc/64/21/82/592642182.db2.gz VBBBKZDKEXLMIS-HOTGVXAUSA-N 1 2 336.482 1.526 20 30 EDEDLO CNc1[nH+]c(C)ccc1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000907853394 592814997 /nfs/dbraw/zinc/81/49/97/592814997.db2.gz VFADKIDOXYSIGW-UHFFFAOYSA-N 1 2 336.399 1.661 20 30 EDEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C(F)(F)c1ccccc1C#N ZINC000910930940 592901852 /nfs/dbraw/zinc/90/18/52/592901852.db2.gz MKOUTAPPSZIXJW-QWHCGFSZSA-N 1 2 337.370 1.564 20 30 EDEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C(F)(F)c1ccccc1C#N ZINC000910930940 592901853 /nfs/dbraw/zinc/90/18/53/592901853.db2.gz MKOUTAPPSZIXJW-QWHCGFSZSA-N 1 2 337.370 1.564 20 30 EDEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC(C)(C)O ZINC000734149734 592957224 /nfs/dbraw/zinc/95/72/24/592957224.db2.gz IJLJVGWQDFHPDA-GFCCVEGCSA-N 1 2 328.372 1.214 20 30 EDEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC(C)(C)O ZINC000734149734 592957226 /nfs/dbraw/zinc/95/72/26/592957226.db2.gz IJLJVGWQDFHPDA-GFCCVEGCSA-N 1 2 328.372 1.214 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000838269243 593147832 /nfs/dbraw/zinc/14/78/32/593147832.db2.gz JYVPTBACYMTPMH-RDJZCZTQSA-N 1 2 345.418 1.197 20 30 EDEDLO C[C@@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)c2ccccc21 ZINC000807947513 593212142 /nfs/dbraw/zinc/21/21/42/593212142.db2.gz YTVZIAZTCNSOIT-CYBMUJFWSA-N 1 2 332.473 1.694 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc1C ZINC000808750980 593285343 /nfs/dbraw/zinc/28/53/43/593285343.db2.gz POXLWNXZMNTHTQ-AEFFLSMTSA-N 1 2 345.443 1.225 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc1C ZINC000808750980 593285346 /nfs/dbraw/zinc/28/53/46/593285346.db2.gz POXLWNXZMNTHTQ-AEFFLSMTSA-N 1 2 345.443 1.225 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cnc3c(F)cc(F)cc3c2O)CC1 ZINC000806621960 593460431 /nfs/dbraw/zinc/46/04/31/593460431.db2.gz XAWMNVNEQOJQQX-UHFFFAOYSA-N 1 2 331.322 1.197 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C(=O)C(C)(C)[C@@H]2[C@@H]2CCCO2)C1=O ZINC000811771720 593480912 /nfs/dbraw/zinc/48/09/12/593480912.db2.gz OPAXJHUNDKOYNQ-KKUMJFAQSA-N 1 2 335.448 1.079 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C(=O)C(C)(C)[C@@H]2[C@@H]2CCCO2)C1=O ZINC000811771720 593480913 /nfs/dbraw/zinc/48/09/13/593480913.db2.gz OPAXJHUNDKOYNQ-KKUMJFAQSA-N 1 2 335.448 1.079 20 30 EDEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1c[nH+]c(C)nc1N ZINC000816576420 593532431 /nfs/dbraw/zinc/53/24/31/593532431.db2.gz UFEIZWHQXMVVQC-UHFFFAOYSA-N 1 2 336.355 1.861 20 30 EDEDLO CCc1ccc(C#CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000814373223 593583356 /nfs/dbraw/zinc/58/33/56/593583356.db2.gz UQVWDEVSKGSZQS-LJQANCHMSA-N 1 2 326.440 1.924 20 30 EDEDLO CC(=NNc1cnnn1C)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000814980850 593608606 /nfs/dbraw/zinc/60/86/06/593608606.db2.gz NLSMUHGTMZFDMJ-UHFFFAOYSA-N 1 2 330.392 1.189 20 30 EDEDLO C[C@@H](CC#N)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824385423 593999252 /nfs/dbraw/zinc/99/92/52/593999252.db2.gz SRDKPEFTZWECHP-FZMZJTMJSA-N 1 2 325.376 1.254 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2(Cc3ccccc3)CCOCC2)CC1 ZINC000823305635 594182994 /nfs/dbraw/zinc/18/29/94/594182994.db2.gz LEBWACYXTATNBR-UHFFFAOYSA-N 1 2 326.440 1.803 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000823306197 594183066 /nfs/dbraw/zinc/18/30/66/594183066.db2.gz SFELRCGYVKXVIP-UHFFFAOYSA-N 1 2 332.201 1.712 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cnn3c2CCC3)C1 ZINC000825509384 594194791 /nfs/dbraw/zinc/19/47/91/594194791.db2.gz JXPDSVUZHNHGTK-TZMCWYRMSA-N 1 2 331.420 1.678 20 30 EDEDLO C#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1 ZINC000829769276 594259666 /nfs/dbraw/zinc/25/96/66/594259666.db2.gz RPOPAYDDXIECTB-AWEZNQCLSA-N 1 2 334.441 1.764 20 30 EDEDLO C#CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1 ZINC000829769276 594259667 /nfs/dbraw/zinc/25/96/67/594259667.db2.gz RPOPAYDDXIECTB-AWEZNQCLSA-N 1 2 334.441 1.764 20 30 EDEDLO Cc1cc(-n2c(C)cc(C(=O)C[N@@H+]3CC[C@](O)(CC#N)C3)c2C)no1 ZINC000829974739 594304858 /nfs/dbraw/zinc/30/48/58/594304858.db2.gz IZAWDBAWTHEGJK-GOSISDBHSA-N 1 2 342.399 1.924 20 30 EDEDLO Cc1cc(-n2c(C)cc(C(=O)C[N@H+]3CC[C@](O)(CC#N)C3)c2C)no1 ZINC000829974739 594304861 /nfs/dbraw/zinc/30/48/61/594304861.db2.gz IZAWDBAWTHEGJK-GOSISDBHSA-N 1 2 342.399 1.924 20 30 EDEDLO C#CC1CC[NH+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000830301230 594370762 /nfs/dbraw/zinc/37/07/62/594370762.db2.gz IFDHVSZITRQHIB-INIZCTEOSA-N 1 2 340.489 1.003 20 30 EDEDLO N#Cc1cnccc1C[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000828531290 594446862 /nfs/dbraw/zinc/44/68/62/594446862.db2.gz IVWCDBHOMAOFPN-SJORKVTESA-N 1 2 344.415 1.823 20 30 EDEDLO N#Cc1cnccc1C[N@@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000828531290 594446865 /nfs/dbraw/zinc/44/68/65/594446865.db2.gz IVWCDBHOMAOFPN-SJORKVTESA-N 1 2 344.415 1.823 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1 ZINC000827037629 594629018 /nfs/dbraw/zinc/62/90/18/594629018.db2.gz MOSNVGXJBZDMBF-UHFFFAOYSA-N 1 2 326.393 1.164 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3cc(F)c(F)cc3c2O)C1 ZINC000829583098 594645020 /nfs/dbraw/zinc/64/50/20/594645020.db2.gz VRDZVPBYDGKOIV-NSHDSACASA-N 1 2 345.349 1.634 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3cc(F)c(F)cc3c2O)C1 ZINC000829583098 594645021 /nfs/dbraw/zinc/64/50/21/594645021.db2.gz VRDZVPBYDGKOIV-NSHDSACASA-N 1 2 345.349 1.634 20 30 EDEDLO C#C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000827240819 594655654 /nfs/dbraw/zinc/65/56/54/594655654.db2.gz OMYJDHAVNUAWTE-NXHRZFHOSA-N 1 2 327.428 1.866 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1C#N ZINC000827344522 594663174 /nfs/dbraw/zinc/66/31/74/594663174.db2.gz DTGGXQLEZKSVRD-MFKMUULPSA-N 1 2 332.429 1.547 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1C#N ZINC000827344522 594663175 /nfs/dbraw/zinc/66/31/75/594663175.db2.gz DTGGXQLEZKSVRD-MFKMUULPSA-N 1 2 332.429 1.547 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(c2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000840900203 594825256 /nfs/dbraw/zinc/82/52/56/594825256.db2.gz RMXMCYSSJVZULH-CJNGLKHVSA-N 1 2 327.384 1.528 20 30 EDEDLO C#CC[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C(=O)OC ZINC000845982977 595112922 /nfs/dbraw/zinc/11/29/22/595112922.db2.gz UTZVASWTBHEZKV-ZHTDJMBKSA-N 1 2 326.396 1.974 20 30 EDEDLO COc1cc(C#N)ccc1OCCO[NH+]=C(N)COC[C@H]1CCCO1 ZINC000842654989 595158796 /nfs/dbraw/zinc/15/87/96/595158796.db2.gz AWBAPGPNZGXXPW-CQSZACIVSA-N 1 2 349.387 1.640 20 30 EDEDLO C=CCONC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000834931357 595240143 /nfs/dbraw/zinc/24/01/43/595240143.db2.gz YSPIMHVKEXCRRT-UHFFFAOYSA-N 1 2 332.404 1.506 20 30 EDEDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cccc(CC#N)c1 ZINC000842962212 595243828 /nfs/dbraw/zinc/24/38/28/595243828.db2.gz GOANYZJQNBEPHR-WMLDXEAASA-N 1 2 332.400 1.645 20 30 EDEDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cccc(CC#N)c1 ZINC000842962212 595243831 /nfs/dbraw/zinc/24/38/31/595243831.db2.gz GOANYZJQNBEPHR-WMLDXEAASA-N 1 2 332.400 1.645 20 30 EDEDLO COC(=O)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCC[C@H](OC)C1 ZINC000844446001 595344271 /nfs/dbraw/zinc/34/42/71/595344271.db2.gz JBEATMGAXRLAJR-VSZNYVQBSA-N 1 2 346.427 1.928 20 30 EDEDLO CC(C)(CN=Nc1ncc(Br)cn1)[NH+]1CCOCC1 ZINC000848420408 595376014 /nfs/dbraw/zinc/37/60/14/595376014.db2.gz ZXAFJOJWOOFCLH-UHFFFAOYSA-N 1 2 328.214 1.748 20 30 EDEDLO C#CC[NH+]1CCN(CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848476242 595388731 /nfs/dbraw/zinc/38/87/31/595388731.db2.gz YLCAYHJJOSLLSN-QGZVFWFLSA-N 1 2 342.399 1.119 20 30 EDEDLO N#Cc1ccc(CO[NH+]=C(N)COC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000844765898 595392875 /nfs/dbraw/zinc/39/28/75/595392875.db2.gz VAAIRNPIEHNQLD-ZDUSSCGKSA-N 1 2 334.332 1.661 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N2Cc3ccc(C#N)cc3C2)c(N(C)C)[nH+]1 ZINC000847591736 595453671 /nfs/dbraw/zinc/45/36/71/595453671.db2.gz IOWIXKLFHTYOBU-UHFFFAOYSA-N 1 2 349.394 1.809 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000850662076 595580331 /nfs/dbraw/zinc/58/03/31/595580331.db2.gz DKMFLISYEUVUIZ-HOTGVXAUSA-N 1 2 344.459 1.941 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853104865 595666780 /nfs/dbraw/zinc/66/67/80/595666780.db2.gz KZTQNKMDGQUGKF-CFVMTHIKSA-N 1 2 332.404 1.464 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cc2ccncc2s1 ZINC000853263690 595722466 /nfs/dbraw/zinc/72/24/66/595722466.db2.gz XBCQMMOBIMPVHC-UHFFFAOYSA-N 1 2 349.485 1.427 20 30 EDEDLO COc1ccc([C@@]2(C)NC(=O)N(N=Cc3c[nH+]c(C)n3C)C2=O)cc1 ZINC000853273442 595724896 /nfs/dbraw/zinc/72/48/96/595724896.db2.gz LAZMVSBLJPZVDR-QGZVFWFLSA-N 1 2 341.371 1.538 20 30 EDEDLO CC[C@@]1(c2ccccc2)NC(=O)N(N=Cc2c[nH+]c(C)n2C)C1=O ZINC000853282901 595726980 /nfs/dbraw/zinc/72/69/80/595726980.db2.gz VKJCXSTYSAIVND-KRWDZBQOSA-N 1 2 325.372 1.920 20 30 EDEDLO C#Cc1cccnc1N1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000853301595 595731777 /nfs/dbraw/zinc/73/17/77/595731777.db2.gz JBVMSKDXMCKAJT-SJLPKXTDSA-N 1 2 340.471 1.880 20 30 EDEDLO C=CC[N@H+](CN1C[C@@](CO)(c2ccccn2)CC1=O)[C@H](C)COC ZINC000853535161 595788810 /nfs/dbraw/zinc/78/88/10/595788810.db2.gz QBHAZXJPPMJXJY-QAPCUYQASA-N 1 2 333.432 1.024 20 30 EDEDLO C=CC[N@@H+](CN1C[C@@](CO)(c2ccccn2)CC1=O)[C@H](C)COC ZINC000853535161 595788813 /nfs/dbraw/zinc/78/88/13/595788813.db2.gz QBHAZXJPPMJXJY-QAPCUYQASA-N 1 2 333.432 1.024 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)C(C)C ZINC000858421776 595791029 /nfs/dbraw/zinc/79/10/29/595791029.db2.gz ITLUBVNBKIWQSV-IAGOWNOFSA-N 1 2 330.432 1.239 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)C(C)C ZINC000858421776 595791032 /nfs/dbraw/zinc/79/10/32/595791032.db2.gz ITLUBVNBKIWQSV-IAGOWNOFSA-N 1 2 330.432 1.239 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000853648854 595846240 /nfs/dbraw/zinc/84/62/40/595846240.db2.gz QQTMBOBSQUUHAJ-MRXNPFEDSA-N 1 2 341.415 1.799 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)c1 ZINC000858645319 595854110 /nfs/dbraw/zinc/85/41/10/595854110.db2.gz LKWDRSUHZBNUPB-HNNXBMFYSA-N 1 2 336.395 1.490 20 30 EDEDLO C=CC1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000111500275 595856089 /nfs/dbraw/zinc/85/60/89/595856089.db2.gz LTBXVERDZBZQHF-UHFFFAOYSA-N 1 2 343.493 1.103 20 30 EDEDLO C=C[C@@H](C)ONC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000854220174 596005962 /nfs/dbraw/zinc/00/59/62/596005962.db2.gz NVHCCTZGESQPRL-QAPCUYQASA-N 1 2 349.431 1.055 20 30 EDEDLO C=C[C@@H](C)ONC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000854220174 596005965 /nfs/dbraw/zinc/00/59/65/596005965.db2.gz NVHCCTZGESQPRL-QAPCUYQASA-N 1 2 349.431 1.055 20 30 EDEDLO O=C(C#Cc1ccccc1)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856611603 596034059 /nfs/dbraw/zinc/03/40/59/596034059.db2.gz TWVTYEXUMNPWPX-ZWKOTPCHSA-N 1 2 333.391 1.415 20 30 EDEDLO C[C@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@H]1CO ZINC000856794502 596083002 /nfs/dbraw/zinc/08/30/02/596083002.db2.gz XXGXCNJRBZSXGD-KBPBESRZSA-N 1 2 326.400 1.370 20 30 EDEDLO C[C@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@H]1CO ZINC000856794502 596083004 /nfs/dbraw/zinc/08/30/04/596083004.db2.gz XXGXCNJRBZSXGD-KBPBESRZSA-N 1 2 326.400 1.370 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852324124 596126217 /nfs/dbraw/zinc/12/62/17/596126217.db2.gz HIZLJUOSYZTJRG-RTBURBONSA-N 1 2 341.455 1.737 20 30 EDEDLO C=CCn1c(C)nn(C[NH+]2CCC(OCCOC)CC2)c1=S ZINC000116868983 596150522 /nfs/dbraw/zinc/15/05/22/596150522.db2.gz KQOMKEYDEFFCOY-UHFFFAOYSA-N 1 2 326.466 1.993 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C(/C)c2cccs2)CC1 ZINC000857117788 596161987 /nfs/dbraw/zinc/16/19/87/596161987.db2.gz TXXQHYHGIZKKDV-SQFISAMPSA-N 1 2 345.468 1.435 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C(/C)c2cccs2)CC1 ZINC000857117788 596161990 /nfs/dbraw/zinc/16/19/90/596161990.db2.gz TXXQHYHGIZKKDV-SQFISAMPSA-N 1 2 345.468 1.435 20 30 EDEDLO C#C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)C1CCOCC1 ZINC000852639356 596215908 /nfs/dbraw/zinc/21/59/08/596215908.db2.gz MAYPKIBJBAFPLH-CVEARBPZSA-N 1 2 330.432 1.738 20 30 EDEDLO N#Cc1cccc(C(=O)O[C@@H]2C[C@@H]3C(=O)NCc4ccc[nH+]c4N3C2)c1 ZINC000870522183 596270424 /nfs/dbraw/zinc/27/04/24/596270424.db2.gz IJRACDQZPWOEGA-HZPDHXFCSA-N 1 2 348.362 1.387 20 30 EDEDLO COCCn1cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cn1 ZINC000862421907 596325676 /nfs/dbraw/zinc/32/56/76/596325676.db2.gz LBJNILQKLGFFHV-UHFFFAOYSA-N 1 2 326.404 1.118 20 30 EDEDLO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC)C2)cc1 ZINC000862458626 596331445 /nfs/dbraw/zinc/33/14/45/596331445.db2.gz HBUZLWBASAJHCT-QGZVFWFLSA-N 1 2 331.416 1.219 20 30 EDEDLO C#CCCOc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC)C2)cc1 ZINC000862458626 596331449 /nfs/dbraw/zinc/33/14/49/596331449.db2.gz HBUZLWBASAJHCT-QGZVFWFLSA-N 1 2 331.416 1.219 20 30 EDEDLO CN(C)c1c(C=[NH+]N[C@H]2CCCS(=O)(=O)C2)ccc(F)c1F ZINC000863131797 596506583 /nfs/dbraw/zinc/50/65/83/596506583.db2.gz BOEDDCGJQXRREC-NSHDSACASA-N 1 2 331.388 1.532 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2c(C)c(Br)c[nH]c2=O)CC1 ZINC000865796629 596687524 /nfs/dbraw/zinc/68/75/24/596687524.db2.gz YFXIWHLLNPXIGM-UHFFFAOYSA-N 1 2 338.205 1.249 20 30 EDEDLO S=C(NC[C@@H]1CCCO1)NN=C1CCC[N@@H+]2CCSC[C@H]12 ZINC000872330819 596881956 /nfs/dbraw/zinc/88/19/56/596881956.db2.gz WAVBZMXORQPVEK-WCQYABFASA-N 1 2 328.507 1.197 20 30 EDEDLO S=C(NC[C@@H]1CCCO1)NN=C1CCC[N@H+]2CCSC[C@H]12 ZINC000872330819 596881957 /nfs/dbraw/zinc/88/19/57/596881957.db2.gz WAVBZMXORQPVEK-WCQYABFASA-N 1 2 328.507 1.197 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC(c2nnnn2C)CC1 ZINC000872637073 597003141 /nfs/dbraw/zinc/00/31/41/597003141.db2.gz VWYIMAVZJXAXGS-UHFFFAOYSA-N 1 2 326.404 1.781 20 30 EDEDLO C=CC(C)(C)CCCNC(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000874291893 597004505 /nfs/dbraw/zinc/00/45/05/597004505.db2.gz AWXRZCSUQMCPRP-UHFFFAOYSA-N 1 2 333.436 1.376 20 30 EDEDLO C=CC(C)(C)CCCNC(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000874291893 597004507 /nfs/dbraw/zinc/00/45/07/597004507.db2.gz AWXRZCSUQMCPRP-UHFFFAOYSA-N 1 2 333.436 1.376 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000875913332 597032366 /nfs/dbraw/zinc/03/23/66/597032366.db2.gz BWVWLYBIFJLDKE-KGLIPLIRSA-N 1 2 336.436 1.207 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCn4cc[nH+]c43)CC2)cn1 ZINC000873026930 597164208 /nfs/dbraw/zinc/16/42/08/597164208.db2.gz LTIUIZLVOUBVIX-HNNXBMFYSA-N 1 2 337.387 1.126 20 30 EDEDLO CSC1([C@@H](C#N)N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000876453352 597208863 /nfs/dbraw/zinc/20/88/63/597208863.db2.gz ZUZHFSRLZFNGDF-GFCCVEGCSA-N 1 2 328.401 1.522 20 30 EDEDLO CSC1([C@H](C#N)N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000876453353 597208919 /nfs/dbraw/zinc/20/89/19/597208919.db2.gz ZUZHFSRLZFNGDF-LBPRGKRZSA-N 1 2 328.401 1.522 20 30 EDEDLO Cn1cc(C[NH+]2CCN(Cc3cc(C#N)cnc3Cl)CC2)cn1 ZINC000876681968 597286261 /nfs/dbraw/zinc/28/62/61/597286261.db2.gz CWQNSVRVICSNGK-UHFFFAOYSA-N 1 2 330.823 1.658 20 30 EDEDLO Cc1nccn1C[C@@H](C)CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876729089 597309861 /nfs/dbraw/zinc/30/98/61/597309861.db2.gz DQNGGBQFBRQHDR-SCLBCKFNSA-N 1 2 337.427 1.703 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000875405347 597415177 /nfs/dbraw/zinc/41/51/77/597415177.db2.gz SNNWANTXNQLZOM-INIZCTEOSA-N 1 2 346.431 1.477 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000875405347 597415181 /nfs/dbraw/zinc/41/51/81/597415181.db2.gz SNNWANTXNQLZOM-INIZCTEOSA-N 1 2 346.431 1.477 20 30 EDEDLO Cc1cc(N2CC[C@@H]([NH2+]Cc3cc(C#N)cnc3Cl)C2=O)n(C)n1 ZINC000877069767 597425621 /nfs/dbraw/zinc/42/56/21/597425621.db2.gz OYCCKNILMFEQTO-CYBMUJFWSA-N 1 2 344.806 1.544 20 30 EDEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC3(C#N)CC3)C2)c1 ZINC000875552282 597475196 /nfs/dbraw/zinc/47/51/96/597475196.db2.gz JHVAPKUOFUZCKQ-QGZVFWFLSA-N 1 2 342.443 1.799 20 30 EDEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCC3(C#N)CC3)C2)c1 ZINC000875552282 597475199 /nfs/dbraw/zinc/47/51/99/597475199.db2.gz JHVAPKUOFUZCKQ-QGZVFWFLSA-N 1 2 342.443 1.799 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000877549121 597534167 /nfs/dbraw/zinc/53/41/67/597534167.db2.gz ZIJWSFYGXHCSBT-OAHLLOKOSA-N 1 2 335.473 1.881 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000877549121 597534169 /nfs/dbraw/zinc/53/41/69/597534169.db2.gz ZIJWSFYGXHCSBT-OAHLLOKOSA-N 1 2 335.473 1.881 20 30 EDEDLO C[C@H]1CN(Cc2cc(C#N)cc(C[N@@H+]3CCO[C@@H](C)C3)c2)CCO1 ZINC000877895675 597562489 /nfs/dbraw/zinc/56/24/89/597562489.db2.gz IXPZIOHUBMURKW-HOTGVXAUSA-N 1 2 329.444 2.000 20 30 EDEDLO C[C@H]1CN(Cc2cc(C#N)cc(C[N@H+]3CCO[C@@H](C)C3)c2)CCO1 ZINC000877895675 597562490 /nfs/dbraw/zinc/56/24/90/597562490.db2.gz IXPZIOHUBMURKW-HOTGVXAUSA-N 1 2 329.444 2.000 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878289889 597592953 /nfs/dbraw/zinc/59/29/53/597592953.db2.gz JATNMVZFSROREA-IAGOWNOFSA-N 1 2 349.456 1.051 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878289889 597592954 /nfs/dbraw/zinc/59/29/54/597592954.db2.gz JATNMVZFSROREA-IAGOWNOFSA-N 1 2 349.456 1.051 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498587 597609292 /nfs/dbraw/zinc/60/92/92/597609292.db2.gz XCGDVBWXDIKFOI-VQIMIIECSA-N 1 2 341.459 1.920 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498587 597609296 /nfs/dbraw/zinc/60/92/96/597609296.db2.gz XCGDVBWXDIKFOI-VQIMIIECSA-N 1 2 341.459 1.920 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585336 597645065 /nfs/dbraw/zinc/64/50/65/597645065.db2.gz WAHJKYNTPQTINE-OAHLLOKOSA-N 1 2 325.416 1.441 20 30 EDEDLO C#CCOc1ccc([C@H](C)[NH2+]Cc2nnc3c(=O)n(C)ccn23)cc1 ZINC000883332990 597717428 /nfs/dbraw/zinc/71/74/28/597717428.db2.gz IJWFZPBYWCWIHP-ZDUSSCGKSA-N 1 2 337.383 1.291 20 30 EDEDLO CC(=O)Nc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000880032172 597816319 /nfs/dbraw/zinc/81/63/19/597816319.db2.gz YYRBDDJPNHWTJZ-CYBMUJFWSA-N 1 2 340.427 1.954 20 30 EDEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000880032172 597816320 /nfs/dbraw/zinc/81/63/20/597816320.db2.gz YYRBDDJPNHWTJZ-CYBMUJFWSA-N 1 2 340.427 1.954 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880083017 597835662 /nfs/dbraw/zinc/83/56/62/597835662.db2.gz PGAGLPCGCULJKC-MRXNPFEDSA-N 1 2 344.415 1.706 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880083017 597835663 /nfs/dbraw/zinc/83/56/63/597835663.db2.gz PGAGLPCGCULJKC-MRXNPFEDSA-N 1 2 344.415 1.706 20 30 EDEDLO C=CCN1CC[C@@H](N2CC[NH+](Cc3cccc(OC)c3)CC2)C1=O ZINC000879448788 597920556 /nfs/dbraw/zinc/92/05/56/597920556.db2.gz BUIHELUSBVUQAR-GOSISDBHSA-N 1 2 329.444 1.600 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3cccc(OC)c3)CC2)C1=O ZINC000879448788 597920558 /nfs/dbraw/zinc/92/05/58/597920558.db2.gz BUIHELUSBVUQAR-GOSISDBHSA-N 1 2 329.444 1.600 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c(C#N)c1C ZINC000880589939 597974178 /nfs/dbraw/zinc/97/41/78/597974178.db2.gz WUDNLJQDCGCEKS-CQSZACIVSA-N 1 2 347.415 1.570 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c(C#N)c1C ZINC000880589939 597974180 /nfs/dbraw/zinc/97/41/80/597974180.db2.gz WUDNLJQDCGCEKS-CQSZACIVSA-N 1 2 347.415 1.570 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)Cc1nc2ccccc2s1 ZINC000884108515 597997150 /nfs/dbraw/zinc/99/71/50/597997150.db2.gz DOQMWPXUVHWITB-NEPJUHHUSA-N 1 2 347.440 1.790 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000884112895 597998291 /nfs/dbraw/zinc/99/82/91/597998291.db2.gz ZPEWMAORIHMDKU-INIZCTEOSA-N 1 2 332.400 1.577 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCOc2c(CC)cccc21 ZINC000884119609 598000153 /nfs/dbraw/zinc/00/01/53/598000153.db2.gz QJCBVMVFRFENSM-GJZGRUSLSA-N 1 2 332.400 1.635 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000884326111 598068438 /nfs/dbraw/zinc/06/84/38/598068438.db2.gz JVQILWFFJAMPSF-ULQDDVLXSA-N 1 2 330.428 1.961 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cccnc2Cl)nn1 ZINC000881110884 598078277 /nfs/dbraw/zinc/07/82/77/598078277.db2.gz KSYOGTFQGQDFMW-NSHDSACASA-N 1 2 332.795 1.639 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(CCSCC2)CC1 ZINC000884454304 598110135 /nfs/dbraw/zinc/11/01/35/598110135.db2.gz JWHQUVKPBMKKHL-ZDUSSCGKSA-N 1 2 326.462 1.569 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@H]1CCc2[nH+]ccn2C1 ZINC000914304999 695345923 /nfs/dbraw/zinc/34/59/23/695345923.db2.gz OMSHSYFYUPSINJ-HNNXBMFYSA-N 1 2 344.440 1.806 20 30 EDEDLO C=CCn1cc(C(=O)NC2C[NH+](CC[C@H]3CCCC3(F)F)C2)nn1 ZINC001031070989 695461962 /nfs/dbraw/zinc/46/19/62/695461962.db2.gz BHMXPANIOMQHKG-GFCCVEGCSA-N 1 2 339.390 1.704 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cncc(F)c3)C2)[nH]1 ZINC001007143776 695592933 /nfs/dbraw/zinc/59/29/33/695592933.db2.gz NYFCIXSGNZLKGH-OAHLLOKOSA-N 1 2 327.363 1.815 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cncc(F)c3)C2)[nH]1 ZINC001007143776 695592936 /nfs/dbraw/zinc/59/29/36/695592936.db2.gz NYFCIXSGNZLKGH-OAHLLOKOSA-N 1 2 327.363 1.815 20 30 EDEDLO Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)cn1 ZINC000993170851 695721363 /nfs/dbraw/zinc/72/13/63/695721363.db2.gz ODRDONTWGKWZNJ-BBRMVZONSA-N 1 2 338.415 1.768 20 30 EDEDLO Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)cn1 ZINC000993170851 695721365 /nfs/dbraw/zinc/72/13/65/695721365.db2.gz ODRDONTWGKWZNJ-BBRMVZONSA-N 1 2 338.415 1.768 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@]3(C)C2)C1 ZINC000993387424 696037893 /nfs/dbraw/zinc/03/78/93/696037893.db2.gz SBMLTGVACWPXAX-BEFAXECRSA-N 1 2 342.443 1.546 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C)CC1 ZINC000993749317 696347967 /nfs/dbraw/zinc/34/79/67/696347967.db2.gz ZWSRAKIVDSQRJV-DZGCQCFKSA-N 1 2 347.463 1.324 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3nc(=O)n(C)[nH]3)[C@H]2C)CC1 ZINC000993749317 696347969 /nfs/dbraw/zinc/34/79/69/696347969.db2.gz ZWSRAKIVDSQRJV-DZGCQCFKSA-N 1 2 347.463 1.324 20 30 EDEDLO COC[C@H](C)NC(=S)N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000916281916 696647523 /nfs/dbraw/zinc/64/75/23/696647523.db2.gz VYVFEEIZBAEHHY-ZDUSSCGKSA-N 1 2 333.461 1.869 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001031314068 696649009 /nfs/dbraw/zinc/64/90/09/696649009.db2.gz IIADFAZAENWQJQ-UHFFFAOYSA-N 1 2 334.419 1.703 20 30 EDEDLO C[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@H](C)N1CC#N ZINC000916341281 696652933 /nfs/dbraw/zinc/65/29/33/696652933.db2.gz FASYNLGKJBTVEM-KBPBESRZSA-N 1 2 330.436 1.347 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3cnsn3)C2)ccc1F ZINC001031561812 697252432 /nfs/dbraw/zinc/25/24/32/697252432.db2.gz CAAHTGHXPCAWFW-UHFFFAOYSA-N 1 2 331.376 1.411 20 30 EDEDLO CCO[C@H]1C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031565076 697256237 /nfs/dbraw/zinc/25/62/37/697256237.db2.gz IPBSOGLDGIWQRP-ROUUACIJSA-N 1 2 330.403 1.650 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000994604624 697258635 /nfs/dbraw/zinc/25/86/35/697258635.db2.gz VARZWPZDICYARB-SCLBCKFNSA-N 1 2 330.432 1.375 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000921438997 697613634 /nfs/dbraw/zinc/61/36/34/697613634.db2.gz OXKHMTJOVQYUQY-UHFFFAOYSA-N 1 2 332.347 1.480 20 30 EDEDLO C[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032074903 698139040 /nfs/dbraw/zinc/13/90/40/698139040.db2.gz ZOFABZILHLLZBN-LRDDRELGSA-N 1 2 331.391 1.670 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCCN(C(=O)[C@H](C)C#N)C2)c[nH+]1 ZINC000943338923 698157579 /nfs/dbraw/zinc/15/75/79/698157579.db2.gz YSEOMSGCCVRWHY-UKRRQHHQSA-N 1 2 345.447 1.584 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)on3)C[C@H]2C)nn1 ZINC000943480753 698388064 /nfs/dbraw/zinc/38/80/64/698388064.db2.gz GFEWJNWTXUGECK-DOMZBBRYSA-N 1 2 344.419 1.401 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)on3)C[C@H]2C)nn1 ZINC000943480753 698388068 /nfs/dbraw/zinc/38/80/68/698388068.db2.gz GFEWJNWTXUGECK-DOMZBBRYSA-N 1 2 344.419 1.401 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000938716081 698545105 /nfs/dbraw/zinc/54/51/05/698545105.db2.gz JMZJCAAPNNTNRL-KBPBESRZSA-N 1 2 342.443 1.903 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 ZINC000068468341 698647561 /nfs/dbraw/zinc/64/75/61/698647561.db2.gz NHLHNSYBRWMSMJ-UHFFFAOYSA-N 1 2 331.372 1.775 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)C3CCOCC3)CC2)C1 ZINC000941479488 701552910 /nfs/dbraw/zinc/55/29/10/701552910.db2.gz FZKMPKJUVYCRFC-UHFFFAOYSA-N 1 2 347.503 1.291 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031793827 699276960 /nfs/dbraw/zinc/27/69/60/699276960.db2.gz OUQCYLSCVQPDHI-ZWKOTPCHSA-N 1 2 327.428 1.921 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](c3ccccc3)C(C)C)CC2)C1 ZINC000941579506 701588311 /nfs/dbraw/zinc/58/83/11/701588311.db2.gz DQTDWGXYVBXILL-FQEVSTJZSA-N 1 2 339.483 1.888 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3sc(CC)nc3C)CC2)C1 ZINC000941605447 701594129 /nfs/dbraw/zinc/59/41/29/701594129.db2.gz IEDJCVKDFSSXAK-UHFFFAOYSA-N 1 2 332.473 1.089 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](c3cccnc3)C(C)C)CC2)C1 ZINC000941612968 701596506 /nfs/dbraw/zinc/59/65/06/701596506.db2.gz AKWNEVRJFQIAGZ-LJQANCHMSA-N 1 2 340.471 1.283 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3scnc3C3CC3)CC2)C1 ZINC000941596534 701598305 /nfs/dbraw/zinc/59/83/05/701598305.db2.gz KAPLZVHJUARWRU-UHFFFAOYSA-N 1 2 330.457 1.096 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001031965587 701607007 /nfs/dbraw/zinc/60/70/07/701607007.db2.gz PKCZWTJOLPCCGE-UHFFFAOYSA-N 1 2 348.381 1.935 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c1 ZINC001031964834 701609630 /nfs/dbraw/zinc/60/96/30/701609630.db2.gz DYEKZDSVNGJYSF-UHFFFAOYSA-N 1 2 336.420 1.858 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(F)c4occc43)CC2)C1 ZINC000941670225 701612946 /nfs/dbraw/zinc/61/29/46/701612946.db2.gz JYKQKRICRJFHTM-UHFFFAOYSA-N 1 2 341.386 1.647 20 30 EDEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001060766783 700501215 /nfs/dbraw/zinc/50/12/15/700501215.db2.gz DUWNQIGYXCJZGA-RBSFLKMASA-N 1 2 331.420 1.224 20 30 EDEDLO CC1(C)C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940659349 700820477 /nfs/dbraw/zinc/82/04/77/700820477.db2.gz WWIGCNWTCCWHCN-OAHLLOKOSA-N 1 2 327.388 1.905 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940659349 700820480 /nfs/dbraw/zinc/82/04/80/700820480.db2.gz WWIGCNWTCCWHCN-OAHLLOKOSA-N 1 2 327.388 1.905 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3nnnn3C)CC2(C)C)C1 ZINC000941018550 701058080 /nfs/dbraw/zinc/05/80/80/701058080.db2.gz XTYCPRKKUMHCAB-UONOGXRCSA-N 1 2 346.479 1.844 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3nnnn3C)CC2(C)C)C1 ZINC000941018550 701058082 /nfs/dbraw/zinc/05/80/82/701058082.db2.gz XTYCPRKKUMHCAB-UONOGXRCSA-N 1 2 346.479 1.844 20 30 EDEDLO C=CCOc1ccccc1C(=O)NC1CN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000995126560 701196842 /nfs/dbraw/zinc/19/68/42/701196842.db2.gz CWXAPCBUKAAJDZ-UHFFFAOYSA-N 1 2 340.383 1.158 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000941229309 701418061 /nfs/dbraw/zinc/41/80/61/701418061.db2.gz GSAZAAKTHAGIQZ-UONOGXRCSA-N 1 2 344.459 1.752 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000941229309 701418063 /nfs/dbraw/zinc/41/80/63/701418063.db2.gz GSAZAAKTHAGIQZ-UONOGXRCSA-N 1 2 344.459 1.752 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000941265161 701438235 /nfs/dbraw/zinc/43/82/35/701438235.db2.gz GDZSGXBDSUPVSY-MGPQQGTHSA-N 1 2 328.416 1.587 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000941265161 701438236 /nfs/dbraw/zinc/43/82/36/701438236.db2.gz GDZSGXBDSUPVSY-MGPQQGTHSA-N 1 2 328.416 1.587 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCN(C2C[NH+]([C@H](C)c3cccc(F)c3)C2)CC1 ZINC000941339030 701477652 /nfs/dbraw/zinc/47/76/52/701477652.db2.gz LUTIPFKMJJGPMG-HUUCEWRRSA-N 1 2 344.434 1.875 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3coc(C(C)(C)C)n3)CC2)C1 ZINC000941408399 701520885 /nfs/dbraw/zinc/52/08/85/701520885.db2.gz FDGNMGYKOQBDGU-UHFFFAOYSA-N 1 2 344.459 1.437 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC[C@@H](OC)C3)CC2)C1 ZINC000941427541 701526151 /nfs/dbraw/zinc/52/61/51/701526151.db2.gz FAYFWFSLTRAZGE-PKOBYXMFSA-N 1 2 347.503 1.433 20 30 EDEDLO C=C(C)CC[NH+]1CC(N2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000941417054 701530649 /nfs/dbraw/zinc/53/06/49/701530649.db2.gz UUSQRPGJGSVODJ-ZDUSSCGKSA-N 1 2 337.361 1.681 20 30 EDEDLO C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC000941417054 701530650 /nfs/dbraw/zinc/53/06/50/701530650.db2.gz UUSQRPGJGSVODJ-ZDUSSCGKSA-N 1 2 337.361 1.681 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cncc(Cl)c3C)CC2)C1 ZINC000941444147 701535826 /nfs/dbraw/zinc/53/58/26/701535826.db2.gz GMNWFTMJNPZYCS-UHFFFAOYSA-N 1 2 332.835 1.119 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3nc(C)sc3C)CC2)C1 ZINC000941459871 701544077 /nfs/dbraw/zinc/54/40/77/701544077.db2.gz IMSGYTVNBWRBMW-UHFFFAOYSA-N 1 2 346.500 1.154 20 30 EDEDLO CCc1nc[nH]c1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032159385 701980342 /nfs/dbraw/zinc/98/03/42/701980342.db2.gz HWHWACOVIADUOP-UHFFFAOYSA-N 1 2 341.390 1.845 20 30 EDEDLO N#Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cccnn3)C2)ccc1F ZINC001015889011 702456862 /nfs/dbraw/zinc/45/68/62/702456862.db2.gz LZZCIOQDBSZTKE-AWEZNQCLSA-N 1 2 325.347 1.492 20 30 EDEDLO N#Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3cccnn3)C2)ccc1F ZINC001015889011 702456867 /nfs/dbraw/zinc/45/68/67/702456867.db2.gz LZZCIOQDBSZTKE-AWEZNQCLSA-N 1 2 325.347 1.492 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccc(C)n3)C[C@H]2C)nc1 ZINC000944193231 702488562 /nfs/dbraw/zinc/48/85/62/702488562.db2.gz SQSCHHUGDMWDAD-PBHICJAKSA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccc(C)n3)C[C@H]2C)nc1 ZINC000944193231 702488564 /nfs/dbraw/zinc/48/85/64/702488564.db2.gz SQSCHHUGDMWDAD-PBHICJAKSA-N 1 2 349.438 1.802 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000942153311 702663346 /nfs/dbraw/zinc/66/33/46/702663346.db2.gz WBONJUQZDQCAKQ-QWHCGFSZSA-N 1 2 329.404 1.050 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)c1ccnnc1 ZINC001032004928 702762263 /nfs/dbraw/zinc/76/22/63/702762263.db2.gz YDDHUWZBINEGSP-UHFFFAOYSA-N 1 2 340.814 1.843 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000942363635 702863282 /nfs/dbraw/zinc/86/32/82/702863282.db2.gz VLFCOQDOQUAFET-LSDHHAIUSA-N 1 2 342.443 1.519 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCOC2)c1 ZINC001032314507 702970442 /nfs/dbraw/zinc/97/04/42/702970442.db2.gz XIZKFNOWEJSESQ-SQNIBIBYSA-N 1 2 325.412 1.770 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCOC2)c1 ZINC001032314507 702970445 /nfs/dbraw/zinc/97/04/45/702970445.db2.gz XIZKFNOWEJSESQ-SQNIBIBYSA-N 1 2 325.412 1.770 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3CC)C[C@H]2C)C1 ZINC000942602339 703119183 /nfs/dbraw/zinc/11/91/83/703119183.db2.gz HSUDUCZWERUNLN-CABCVRRESA-N 1 2 331.464 1.981 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3CC)C[C@H]2C)C1 ZINC000942602339 703119185 /nfs/dbraw/zinc/11/91/85/703119185.db2.gz HSUDUCZWERUNLN-CABCVRRESA-N 1 2 331.464 1.981 20 30 EDEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C#N)[nH]2)o1 ZINC001032362000 703232903 /nfs/dbraw/zinc/23/29/03/703232903.db2.gz LGOCVOZJKOTSDQ-KBPBESRZSA-N 1 2 325.372 1.590 20 30 EDEDLO Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C#N)[nH]2)o1 ZINC001032362000 703232906 /nfs/dbraw/zinc/23/29/06/703232906.db2.gz LGOCVOZJKOTSDQ-KBPBESRZSA-N 1 2 325.372 1.590 20 30 EDEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)nn1 ZINC001032398887 703411863 /nfs/dbraw/zinc/41/18/63/703411863.db2.gz SNXXNXZIVDRHLU-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)nn1 ZINC001032398887 703411864 /nfs/dbraw/zinc/41/18/64/703411864.db2.gz SNXXNXZIVDRHLU-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnn(C)c1 ZINC001032410366 703440343 /nfs/dbraw/zinc/44/03/43/703440343.db2.gz YVSBZNPXTCZTHU-NXOAAHMSSA-N 1 2 330.432 1.186 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnn(C)c1 ZINC001032410366 703440344 /nfs/dbraw/zinc/44/03/44/703440344.db2.gz YVSBZNPXTCZTHU-NXOAAHMSSA-N 1 2 330.432 1.186 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCCNC1=O ZINC001032423241 703583097 /nfs/dbraw/zinc/58/30/97/703583097.db2.gz BZQJKBRYOSXHAL-AVGNSLFASA-N 1 2 325.840 1.329 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCNC1=O ZINC001032423241 703583098 /nfs/dbraw/zinc/58/30/98/703583098.db2.gz BZQJKBRYOSXHAL-AVGNSLFASA-N 1 2 325.840 1.329 20 30 EDEDLO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033061050 703956599 /nfs/dbraw/zinc/95/65/99/703956599.db2.gz CRHIPAVHHGAKHD-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033061050 703956602 /nfs/dbraw/zinc/95/66/02/703956602.db2.gz CRHIPAVHHGAKHD-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000999293350 706790881 /nfs/dbraw/zinc/79/08/81/706790881.db2.gz SCFMJNLBFPZMQW-ZDUSSCGKSA-N 1 2 328.416 1.129 20 30 EDEDLO COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C)C#N ZINC000997821271 704741350 /nfs/dbraw/zinc/74/13/50/704741350.db2.gz BXRXKJCHWFTTIE-ATGSNQNLSA-N 1 2 342.399 1.040 20 30 EDEDLO CCc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998933513 706343396 /nfs/dbraw/zinc/34/33/96/706343396.db2.gz URFNANVGIDBADM-WCQYABFASA-N 1 2 342.403 1.787 20 30 EDEDLO CC(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998963379 706383407 /nfs/dbraw/zinc/38/34/07/706383407.db2.gz XCAJEARCUPHLRY-ZDUSSCGKSA-N 1 2 342.403 1.787 20 30 EDEDLO C=CCC(CC=C)C(=O)NC[C@@H]1COCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001061609985 707115269 /nfs/dbraw/zinc/11/52/69/707115269.db2.gz CAHHGPDNCDGTDM-MRXNPFEDSA-N 1 2 346.431 1.064 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001033271577 707304742 /nfs/dbraw/zinc/30/47/42/707304742.db2.gz VWZMIGQASZZVPD-LBPRGKRZSA-N 1 2 334.811 1.262 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001033271577 707304744 /nfs/dbraw/zinc/30/47/44/707304744.db2.gz VWZMIGQASZZVPD-LBPRGKRZSA-N 1 2 334.811 1.262 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnnn3CC)C2)cc1 ZINC001033322530 707523525 /nfs/dbraw/zinc/52/35/25/707523525.db2.gz MWVOQUXIDNDNIW-KRWDZBQOSA-N 1 2 337.427 1.626 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cnnn3CC)C2)cc1 ZINC001033322530 707523529 /nfs/dbraw/zinc/52/35/29/707523529.db2.gz MWVOQUXIDNDNIW-KRWDZBQOSA-N 1 2 337.427 1.626 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc3c2nnn3C)C1 ZINC001033361659 707646600 /nfs/dbraw/zinc/64/66/00/707646600.db2.gz HBHCPIQYGQJWPW-LLVKDONJSA-N 1 2 334.811 1.262 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc3c2nnn3C)C1 ZINC001033361659 707646603 /nfs/dbraw/zinc/64/66/03/707646603.db2.gz HBHCPIQYGQJWPW-LLVKDONJSA-N 1 2 334.811 1.262 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CNc2ccc(C#N)c(C)n2)C1 ZINC001060902093 707711829 /nfs/dbraw/zinc/71/18/29/707711829.db2.gz JFCQBRTVECPBJZ-AWEZNQCLSA-N 1 2 338.415 1.796 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(=O)N(C)C)c1 ZINC001032739740 707766579 /nfs/dbraw/zinc/76/65/79/707766579.db2.gz VNKIFUHEIHCMRG-IRXDYDNUSA-N 1 2 325.412 1.310 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(=O)N(C)C)c1 ZINC001032739740 707766583 /nfs/dbraw/zinc/76/65/83/707766583.db2.gz VNKIFUHEIHCMRG-IRXDYDNUSA-N 1 2 325.412 1.310 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001033432301 707819657 /nfs/dbraw/zinc/81/96/57/707819657.db2.gz MJBZROHXMDMBGA-OAGGEKHMSA-N 1 2 333.432 1.915 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001033432301 707819660 /nfs/dbraw/zinc/81/96/60/707819660.db2.gz MJBZROHXMDMBGA-OAGGEKHMSA-N 1 2 333.432 1.915 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032753822 707827227 /nfs/dbraw/zinc/82/72/27/707827227.db2.gz NPZDCFZGFNYJKW-ROUUACIJSA-N 1 2 334.423 1.429 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)Cn2ccc(C)n2)C1 ZINC001033437981 707865298 /nfs/dbraw/zinc/86/52/98/707865298.db2.gz MBVUXBLMTHZLIG-ZDUSSCGKSA-N 1 2 341.253 1.633 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2ccc(C)n2)C1 ZINC001033437981 707865300 /nfs/dbraw/zinc/86/53/00/707865300.db2.gz MBVUXBLMTHZLIG-ZDUSSCGKSA-N 1 2 341.253 1.633 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001033485718 707954173 /nfs/dbraw/zinc/95/41/73/707954173.db2.gz NWDQQHODFXAQHT-GFCCVEGCSA-N 1 2 336.823 1.958 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001033485718 707954176 /nfs/dbraw/zinc/95/41/76/707954176.db2.gz NWDQQHODFXAQHT-GFCCVEGCSA-N 1 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ZINC001061016890 708181568 /nfs/dbraw/zinc/18/15/68/708181568.db2.gz CCULZFILUBGPMQ-LBPRGKRZSA-N 1 2 344.444 1.940 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn3nccc3nc2C)C1 ZINC001033538717 708194577 /nfs/dbraw/zinc/19/45/77/708194577.db2.gz BYKOPKBXLXFVIK-ZDUSSCGKSA-N 1 2 333.823 1.937 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn3nccc3nc2C)C1 ZINC001033538717 708194579 /nfs/dbraw/zinc/19/45/79/708194579.db2.gz BYKOPKBXLXFVIK-ZDUSSCGKSA-N 1 2 333.823 1.937 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCCc3n[nH]nc32)CC1 ZINC001001771270 708293792 /nfs/dbraw/zinc/29/37/92/708293792.db2.gz CEBSMTHMIYQXCS-ZDUSSCGKSA-N 1 2 337.855 1.805 20 30 EDEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](CNc2ccc(C#N)cn2)C1 ZINC001061035850 708430486 /nfs/dbraw/zinc/43/04/86/708430486.db2.gz NWWJZZXOBKVNBM-HNNXBMFYSA-N 1 2 338.415 1.580 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001033707763 708540235 /nfs/dbraw/zinc/54/02/35/708540235.db2.gz UCRCBYWJYRUKQE-AWEZNQCLSA-N 1 2 346.822 1.561 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001033707763 708540238 /nfs/dbraw/zinc/54/02/38/708540238.db2.gz UCRCBYWJYRUKQE-AWEZNQCLSA-N 1 2 346.822 1.561 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001033785527 708694097 /nfs/dbraw/zinc/69/40/97/708694097.db2.gz JUQORGAKLSHJFN-RISCZKNCSA-N 1 2 342.403 1.875 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001033785527 708694098 /nfs/dbraw/zinc/69/40/98/708694098.db2.gz JUQORGAKLSHJFN-RISCZKNCSA-N 1 2 342.403 1.875 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001033797758 708729045 /nfs/dbraw/zinc/72/90/45/708729045.db2.gz HFHSUDPCFVRWCU-BXUZGUMPSA-N 1 2 342.403 1.875 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001033797758 708729047 /nfs/dbraw/zinc/72/90/47/708729047.db2.gz HFHSUDPCFVRWCU-BXUZGUMPSA-N 1 2 342.403 1.875 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033801809 708794826 /nfs/dbraw/zinc/79/48/26/708794826.db2.gz ZPEJSNLXQQAZCI-INIZCTEOSA-N 1 2 340.431 1.665 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033801809 708794829 /nfs/dbraw/zinc/79/48/29/708794829.db2.gz ZPEJSNLXQQAZCI-INIZCTEOSA-N 1 2 340.431 1.665 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001005378623 708839800 /nfs/dbraw/zinc/83/98/00/708839800.db2.gz NPOGCOYCLVDRTH-VXGBXAGGSA-N 1 2 346.225 1.483 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001033869697 708957655 /nfs/dbraw/zinc/95/76/55/708957655.db2.gz VGMSQFYZWZLUNM-CYBMUJFWSA-N 1 2 338.839 1.676 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001033869697 708957656 /nfs/dbraw/zinc/95/76/56/708957656.db2.gz VGMSQFYZWZLUNM-CYBMUJFWSA-N 1 2 338.839 1.676 20 30 EDEDLO Cc1ccc(C#N)c(N[C@@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001061093743 709011071 /nfs/dbraw/zinc/01/10/71/709011071.db2.gz BNTHSBJIPWVYTB-JKSUJKDBSA-N 1 2 338.415 1.998 20 30 EDEDLO CCN(C(=O)c1[nH]nnc1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033917707 709067133 /nfs/dbraw/zinc/06/71/33/709067133.db2.gz WXVWQTKRGTVJLO-GFCCVEGCSA-N 1 2 344.444 1.783 20 30 EDEDLO CCN(C(=O)c1[nH]nnc1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033917707 709067135 /nfs/dbraw/zinc/06/71/35/709067135.db2.gz WXVWQTKRGTVJLO-GFCCVEGCSA-N 1 2 344.444 1.783 20 30 EDEDLO CCN(C(=O)c1cnon1)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033993821 709202487 /nfs/dbraw/zinc/20/24/87/709202487.db2.gz AJZYMNZQBLQBQL-CQSZACIVSA-N 1 2 343.362 1.817 20 30 EDEDLO CCN(C(=O)c1cnon1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033993821 709202489 /nfs/dbraw/zinc/20/24/89/709202489.db2.gz AJZYMNZQBLQBQL-CQSZACIVSA-N 1 2 343.362 1.817 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cnn(CC)n2)CC1 ZINC001002756496 709356236 /nfs/dbraw/zinc/35/62/36/709356236.db2.gz OGGSWQJFOIWSAG-UHFFFAOYSA-N 1 2 342.241 1.401 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]cc[nH+]1)C2 ZINC001005517295 709436046 /nfs/dbraw/zinc/43/60/46/709436046.db2.gz MBAWPCOJVYZNEX-ZXTQRBJTSA-N 1 2 330.432 1.803 20 30 EDEDLO Cc1noc([C@H](C)[N@@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001034164889 709438261 /nfs/dbraw/zinc/43/82/61/709438261.db2.gz IXYJQAYLWQKDFA-SMDDNHRTSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1noc([C@H](C)[N@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001034164889 709438262 /nfs/dbraw/zinc/43/82/62/709438262.db2.gz IXYJQAYLWQKDFA-SMDDNHRTSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1conc1C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034164922 709438381 /nfs/dbraw/zinc/43/83/81/709438381.db2.gz JKIZZYAYQPSZNU-AWEZNQCLSA-N 1 2 327.388 1.967 20 30 EDEDLO Cc1conc1C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034164922 709438382 /nfs/dbraw/zinc/43/83/82/709438382.db2.gz JKIZZYAYQPSZNU-AWEZNQCLSA-N 1 2 327.388 1.967 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H](NC(=O)c3ccns3)C2)C1=O ZINC001034229865 709585946 /nfs/dbraw/zinc/58/59/46/709585946.db2.gz WNCIGRSPKCKLIV-UONOGXRCSA-N 1 2 348.472 1.514 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H](NC(=O)c3ccns3)C2)C1=O ZINC001034229865 709585951 /nfs/dbraw/zinc/58/59/51/709585951.db2.gz WNCIGRSPKCKLIV-UONOGXRCSA-N 1 2 348.472 1.514 20 30 EDEDLO C=C[C@H](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001061744858 709879417 /nfs/dbraw/zinc/87/94/17/709879417.db2.gz PLSAXSFBEMHJLL-CABCVRRESA-N 1 2 348.447 1.207 20 30 EDEDLO CN(c1ccc(C#N)nc1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001061243295 709933399 /nfs/dbraw/zinc/93/33/99/709933399.db2.gz BIEQGGHASDJJJH-KRWDZBQOSA-N 1 2 338.415 1.667 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nccc(C)n2)C1 ZINC001034404012 709951571 /nfs/dbraw/zinc/95/15/71/709951571.db2.gz MUMUFDNJCNZWCH-ZACQAIPSSA-N 1 2 344.459 1.847 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nccc(C)n2)C1 ZINC001034404012 709951573 /nfs/dbraw/zinc/95/15/73/709951573.db2.gz MUMUFDNJCNZWCH-ZACQAIPSSA-N 1 2 344.459 1.847 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccn(C)n3)C2)nc1 ZINC001034494733 710117518 /nfs/dbraw/zinc/11/75/18/710117518.db2.gz WCFHJFIRJNLOMV-MRXNPFEDSA-N 1 2 337.427 1.581 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3ccn(C)n3)C2)nc1 ZINC001034494733 710117520 /nfs/dbraw/zinc/11/75/20/710117520.db2.gz WCFHJFIRJNLOMV-MRXNPFEDSA-N 1 2 337.427 1.581 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001003653351 710470516 /nfs/dbraw/zinc/47/05/16/710470516.db2.gz WTCNCTDMVVGYIM-GLQYFDAESA-N 1 2 333.436 1.346 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nn1 ZINC001061773832 710663447 /nfs/dbraw/zinc/66/34/47/710663447.db2.gz KMZZMQIFUMIUAB-LBPRGKRZSA-N 1 2 347.382 1.481 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032917466 710776460 /nfs/dbraw/zinc/77/64/60/710776460.db2.gz VWYSIHKYNYVIFM-OAHLLOKOSA-N 1 2 344.415 1.875 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032917466 710776463 /nfs/dbraw/zinc/77/64/63/710776463.db2.gz VWYSIHKYNYVIFM-OAHLLOKOSA-N 1 2 344.415 1.875 20 30 EDEDLO O=C(C#CC1CC1)N1CCC[C@@H]1C[NH2+]Cc1noc(-c2ccoc2)n1 ZINC001034930090 711352197 /nfs/dbraw/zinc/35/21/97/711352197.db2.gz HWKOEICOLRZHHS-OAHLLOKOSA-N 1 2 340.383 1.824 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C)o1 ZINC001034941418 711446095 /nfs/dbraw/zinc/44/60/95/711446095.db2.gz IXKRNQYOFJQASB-KFWWJZLASA-N 1 2 334.420 1.440 20 30 EDEDLO Cc1cc(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n(C)n1 ZINC001004482106 711852909 /nfs/dbraw/zinc/85/29/09/711852909.db2.gz BELRTMTYZJAYDK-QGZVFWFLSA-N 1 2 329.448 1.498 20 30 EDEDLO Cc1cc(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n(C)n1 ZINC001004482106 711852910 /nfs/dbraw/zinc/85/29/10/711852910.db2.gz BELRTMTYZJAYDK-QGZVFWFLSA-N 1 2 329.448 1.498 20 30 EDEDLO Cn1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)ccc1=O ZINC001004477246 711857347 /nfs/dbraw/zinc/85/73/47/711857347.db2.gz OZSPAPDJTGZWDY-MRXNPFEDSA-N 1 2 328.416 1.225 20 30 EDEDLO Cn1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)ccc1=O ZINC001004477246 711857348 /nfs/dbraw/zinc/85/73/48/711857348.db2.gz OZSPAPDJTGZWDY-MRXNPFEDSA-N 1 2 328.416 1.225 20 30 EDEDLO CCCn1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)nn1 ZINC001004587143 712021131 /nfs/dbraw/zinc/02/11/31/712021131.db2.gz WTEXAELWBSZNLW-INIZCTEOSA-N 1 2 330.436 1.528 20 30 EDEDLO CCCn1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)nn1 ZINC001004587143 712021132 /nfs/dbraw/zinc/02/11/32/712021132.db2.gz WTEXAELWBSZNLW-INIZCTEOSA-N 1 2 330.436 1.528 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001061548398 712354793 /nfs/dbraw/zinc/35/47/93/712354793.db2.gz LLNNQOJKQHQTAQ-AWEZNQCLSA-N 1 2 334.420 1.042 20 30 EDEDLO CC(C)c1noc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000558586403 306240376 /nfs/dbraw/zinc/24/03/76/306240376.db2.gz IHAPRZDWXLPXES-UHFFFAOYSA-N 1 2 343.387 1.107 20 30 EDEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000560727576 306278125 /nfs/dbraw/zinc/27/81/25/306278125.db2.gz JTEHFGPACOEYIV-UHFFFAOYSA-N 1 2 337.420 1.697 20 30 EDEDLO CCO[C@@H]1C[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000562469070 306299510 /nfs/dbraw/zinc/29/95/10/306299510.db2.gz FKMHMXZWAIRYOA-DLBZAZTESA-N 1 2 328.416 1.563 20 30 EDEDLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000078519440 138257803 /nfs/dbraw/zinc/25/78/03/138257803.db2.gz ZWDIHVRAXIGGMW-BBRMVZONSA-N 1 2 349.456 1.024 20 30 EDEDLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000078519440 138257804 /nfs/dbraw/zinc/25/78/04/138257804.db2.gz ZWDIHVRAXIGGMW-BBRMVZONSA-N 1 2 349.456 1.024 20 30 EDEDLO N#Cc1ccc2ncc(CN3CCC[C@H]3C[NH+]3CCOCC3)n2c1 ZINC000092218069 283200949 /nfs/dbraw/zinc/20/09/49/283200949.db2.gz KBMLJKWAQFWFHP-INIZCTEOSA-N 1 2 325.416 1.503 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CCC(N)=O)C2)cc1 ZINC000081513091 138266945 /nfs/dbraw/zinc/26/69/45/138266945.db2.gz ONTJSZCWAOQSFO-HNNXBMFYSA-N 1 2 349.456 1.309 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CCC(N)=O)C2)cc1 ZINC000081513091 138266946 /nfs/dbraw/zinc/26/69/46/138266946.db2.gz ONTJSZCWAOQSFO-HNNXBMFYSA-N 1 2 349.456 1.309 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000123595710 138319733 /nfs/dbraw/zinc/31/97/33/138319733.db2.gz FHDUENXECPCPRU-OAHLLOKOSA-N 1 2 335.429 1.008 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000123595710 138319734 /nfs/dbraw/zinc/31/97/34/138319734.db2.gz FHDUENXECPCPRU-OAHLLOKOSA-N 1 2 335.429 1.008 20 30 EDEDLO CCCN1C(=O)CC[C@H](C(=O)N[C@@H](C)CC#N)[C@H]1c1c[nH+]cn1C ZINC000355380277 283312751 /nfs/dbraw/zinc/31/27/51/283312751.db2.gz VIPPUNOUWOZJPJ-XEZPLFJOSA-N 1 2 331.420 1.528 20 30 EDEDLO CC(=O)N1CC[NH+](CCNc2cccc(-n3cccn3)c2C#N)CC1 ZINC000565223735 306379372 /nfs/dbraw/zinc/37/93/72/306379372.db2.gz XCJRJBSSMIGMNH-UHFFFAOYSA-N 1 2 338.415 1.320 20 30 EDEDLO N#CCCCCS(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069868019 201166855 /nfs/dbraw/zinc/16/68/55/201166855.db2.gz SPWQIAWVGRFIHZ-OAHLLOKOSA-N 1 2 329.466 1.054 20 30 EDEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000275932293 201287743 /nfs/dbraw/zinc/28/77/43/201287743.db2.gz INBNETJWPZNSDJ-ZIAGYGMSSA-N 1 2 329.400 1.156 20 30 EDEDLO COC(=O)C1([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCCCC1 ZINC000109800465 204293272 /nfs/dbraw/zinc/29/32/72/204293272.db2.gz BOZPSTLNPALRDP-OAHLLOKOSA-N 1 2 332.400 1.763 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000160751623 206311840 /nfs/dbraw/zinc/31/18/40/206311840.db2.gz NNAGVMCVZJRCAH-CQSZACIVSA-N 1 2 332.423 1.730 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NC3(C#N)CCCCC3)[C@H]2C1 ZINC000246053674 249305600 /nfs/dbraw/zinc/30/56/00/249305600.db2.gz AZXQKOZLZJBLAJ-PMPSAXMXSA-N 1 2 335.448 1.597 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)[C@H]2C1 ZINC000246053674 249305603 /nfs/dbraw/zinc/30/56/03/249305603.db2.gz AZXQKOZLZJBLAJ-PMPSAXMXSA-N 1 2 335.448 1.597 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000264912462 249338230 /nfs/dbraw/zinc/33/82/30/249338230.db2.gz ZQOAHCWWGZHFKH-MRXNPFEDSA-N 1 2 332.448 1.296 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000264912462 249338235 /nfs/dbraw/zinc/33/82/35/249338235.db2.gz ZQOAHCWWGZHFKH-MRXNPFEDSA-N 1 2 332.448 1.296 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000284248179 249594415 /nfs/dbraw/zinc/59/44/15/249594415.db2.gz GKIVYTTZVFBGSP-UHFFFAOYSA-N 1 2 328.416 1.499 20 30 EDEDLO CCC(C)(C)NC(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247532068 139151394 /nfs/dbraw/zinc/15/13/94/139151394.db2.gz ZZFMVAFRTTWPLB-CYBMUJFWSA-N 1 2 330.436 1.164 20 30 EDEDLO CCC(C)(C)NC(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247532068 139151395 /nfs/dbraw/zinc/15/13/95/139151395.db2.gz ZZFMVAFRTTWPLB-CYBMUJFWSA-N 1 2 330.436 1.164 20 30 EDEDLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000342760234 250009587 /nfs/dbraw/zinc/00/95/87/250009587.db2.gz YZKKHMBYEHRHIE-JKSUJKDBSA-N 1 2 330.384 1.679 20 30 EDEDLO COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000342760234 250009590 /nfs/dbraw/zinc/00/95/90/250009590.db2.gz YZKKHMBYEHRHIE-JKSUJKDBSA-N 1 2 330.384 1.679 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N(Cc2cc[nH+]c(N3CCCCC3)c2)C1=O ZINC000348506870 250056130 /nfs/dbraw/zinc/05/61/30/250056130.db2.gz PQPLPHFSZHWXOC-HNNXBMFYSA-N 1 2 344.415 1.695 20 30 EDEDLO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C#N)CC3)C2=O)cc1OC ZINC000352270303 250078282 /nfs/dbraw/zinc/07/82/82/250078282.db2.gz FDXUHWJDRIPNIZ-AWEZNQCLSA-N 1 2 343.383 1.571 20 30 EDEDLO C=CCOc1ccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1OC ZINC000352047441 250071242 /nfs/dbraw/zinc/07/12/42/250071242.db2.gz XKTNPDVRBPJPAI-RHSMWYFYSA-N 1 2 332.400 1.415 20 30 EDEDLO C=CCOc1ccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1OC ZINC000352047441 250071247 /nfs/dbraw/zinc/07/12/47/250071247.db2.gz XKTNPDVRBPJPAI-RHSMWYFYSA-N 1 2 332.400 1.415 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000352085141 250071268 /nfs/dbraw/zinc/07/12/68/250071268.db2.gz QSAKRZOAUYSVCW-BHYGNILZSA-N 1 2 349.500 1.666 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000352085141 250071273 /nfs/dbraw/zinc/07/12/73/250071273.db2.gz QSAKRZOAUYSVCW-BHYGNILZSA-N 1 2 349.500 1.666 20 30 EDEDLO C=CCc1ccc(OCC(=O)NCC[N@@H+]2CCOC[C@H]2C)c(OC)c1 ZINC000355063101 250105038 /nfs/dbraw/zinc/10/50/38/250105038.db2.gz HLZPJPLHMZXXIH-OAHLLOKOSA-N 1 2 348.443 1.639 20 30 EDEDLO C=CCc1ccc(OCC(=O)NCC[N@H+]2CCOC[C@H]2C)c(OC)c1 ZINC000355063101 250105039 /nfs/dbraw/zinc/10/50/39/250105039.db2.gz HLZPJPLHMZXXIH-OAHLLOKOSA-N 1 2 348.443 1.639 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000356633556 250128322 /nfs/dbraw/zinc/12/83/22/250128322.db2.gz WHLGKROPXKESLA-HUUCEWRRSA-N 1 2 331.416 1.582 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000365950762 250188552 /nfs/dbraw/zinc/18/85/52/250188552.db2.gz PJEWTBFWVYOQAV-IPMKNSEASA-N 1 2 349.519 1.844 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(=Cc2cc(C)on2)CC1 ZINC000368565042 250200119 /nfs/dbraw/zinc/20/01/19/250200119.db2.gz ZMCKTMCBNXKYQD-CYBMUJFWSA-N 1 2 332.404 1.863 20 30 EDEDLO N#CCC(=O)N1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000373465183 250238930 /nfs/dbraw/zinc/23/89/30/250238930.db2.gz JSECXSDMPMTKCJ-KRWDZBQOSA-N 1 2 340.427 1.235 20 30 EDEDLO C#CC[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000373888124 250246828 /nfs/dbraw/zinc/24/68/28/250246828.db2.gz RDVKQGQDBCGSLD-JQHSSLGASA-N 1 2 327.428 1.693 20 30 EDEDLO C#CC[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000373888124 250246832 /nfs/dbraw/zinc/24/68/32/250246832.db2.gz RDVKQGQDBCGSLD-JQHSSLGASA-N 1 2 327.428 1.693 20 30 EDEDLO N#CCOc1cccc(CC(=O)N2CC[NH2+][C@H](c3cccnc3)C2)c1 ZINC000374389254 250262104 /nfs/dbraw/zinc/26/21/04/250262104.db2.gz MJOWBAYGCGMGTG-SFHVURJKSA-N 1 2 336.395 1.700 20 30 EDEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000253371788 139206312 /nfs/dbraw/zinc/20/63/12/139206312.db2.gz CIQRNGVCOUJEBA-MRXNPFEDSA-N 1 2 341.459 1.866 20 30 EDEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3ncccc3C#N)CC2)C1 ZINC000253602068 139207378 /nfs/dbraw/zinc/20/73/78/139207378.db2.gz HJRGAOFHEVTHND-HNNXBMFYSA-N 1 2 327.432 1.334 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCC(=O)NC3)CC2)cc1 ZINC000569438957 306507535 /nfs/dbraw/zinc/50/75/35/306507535.db2.gz IJBVHRJCUXIEPH-QGZVFWFLSA-N 1 2 340.427 1.119 20 30 EDEDLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000412060981 269704932 /nfs/dbraw/zinc/70/49/32/269704932.db2.gz ACIRFWDODSCZGC-ZDUSSCGKSA-N 1 2 333.413 1.335 20 30 EDEDLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000412060981 269704933 /nfs/dbraw/zinc/70/49/33/269704933.db2.gz ACIRFWDODSCZGC-ZDUSSCGKSA-N 1 2 333.413 1.335 20 30 EDEDLO C=CCn1c([C@H]2CCCS2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000424128591 252133377 /nfs/dbraw/zinc/13/33/77/252133377.db2.gz RPAOHXTWFXHNAY-HUUCEWRRSA-N 1 2 349.504 1.943 20 30 EDEDLO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)nn1 ZINC000424294549 252192377 /nfs/dbraw/zinc/19/23/77/252192377.db2.gz KWVIWQKHBJTBCJ-NSHDSACASA-N 1 2 338.408 1.858 20 30 EDEDLO N#Cc1ccc(N2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)nc1 ZINC000179288757 207605769 /nfs/dbraw/zinc/60/57/69/207605769.db2.gz LMPIGESNVJCYRU-UHFFFAOYSA-N 1 2 335.415 1.892 20 30 EDEDLO N#Cc1ccc(N2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)nc1 ZINC000179288757 207605778 /nfs/dbraw/zinc/60/57/78/207605778.db2.gz LMPIGESNVJCYRU-UHFFFAOYSA-N 1 2 335.415 1.892 20 30 EDEDLO C#CCN(CC)C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000490574929 255092628 /nfs/dbraw/zinc/09/26/28/255092628.db2.gz GGOYXZLUFXLKFL-UHFFFAOYSA-N 1 2 338.452 1.204 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C(F)(F)Oc3ccccc3)n2C)CC1 ZINC000491047047 255116564 /nfs/dbraw/zinc/11/65/64/255116564.db2.gz SRIGIMMCRKCUAX-UHFFFAOYSA-N 1 2 347.369 1.699 20 30 EDEDLO C#CC[N@@H+](CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000490740835 255104447 /nfs/dbraw/zinc/10/44/47/255104447.db2.gz RHJHHVFMXPJSEG-SNVBAGLBSA-N 1 2 331.331 1.026 20 30 EDEDLO C#CC[N@H+](CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000490740835 255104449 /nfs/dbraw/zinc/10/44/49/255104449.db2.gz RHJHHVFMXPJSEG-SNVBAGLBSA-N 1 2 331.331 1.026 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2c(Cl)cccc2OC)CC1 ZINC000491043804 255116011 /nfs/dbraw/zinc/11/60/11/255116011.db2.gz DTCXJKQSDFRYJY-UHFFFAOYSA-N 1 2 335.835 1.216 20 30 EDEDLO C#CCN(C(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C1CCCC1 ZINC000491642083 255136116 /nfs/dbraw/zinc/13/61/16/255136116.db2.gz VIJNDSGXJUHPFH-DOTOQJQBSA-N 1 2 342.443 1.697 20 30 EDEDLO COc1cc(/C=C\C(=O)NCCc2c[nH+]cn2C)ccc1OCC#N ZINC000492533896 255177761 /nfs/dbraw/zinc/17/77/61/255177761.db2.gz KBGNEPDFYLYVOK-XQRVVYSFSA-N 1 2 340.383 1.703 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000491631282 255134295 /nfs/dbraw/zinc/13/42/95/255134295.db2.gz NTPPMCXNIPCYLA-IBGZPJMESA-N 1 2 329.419 1.335 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000491631282 255134297 /nfs/dbraw/zinc/13/42/97/255134297.db2.gz NTPPMCXNIPCYLA-IBGZPJMESA-N 1 2 329.419 1.335 20 30 EDEDLO C=CC(C)(C)C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496474327 255396146 /nfs/dbraw/zinc/39/61/46/255396146.db2.gz MEKNNDMDMQTCSZ-UHFFFAOYSA-N 1 2 325.453 1.868 20 30 EDEDLO Cc1onc(CC(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)c1C#N ZINC000331659844 141063574 /nfs/dbraw/zinc/06/35/74/141063574.db2.gz WAWKQSXMQYKTKP-MRXNPFEDSA-N 1 2 328.347 1.709 20 30 EDEDLO Cc1cc(NC(=O)Cn2cnc(C#N)n2)c[nH+]c1N1CCCC[C@H]1C ZINC000331894010 141094881 /nfs/dbraw/zinc/09/48/81/141094881.db2.gz UECDDYOBNGEMHA-CYBMUJFWSA-N 1 2 339.403 1.871 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CCN1C ZINC000332367290 141169933 /nfs/dbraw/zinc/16/99/33/141169933.db2.gz WCQXHPNZPAHXTP-CYBMUJFWSA-N 1 2 344.806 1.469 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1F ZINC000332377571 141171638 /nfs/dbraw/zinc/17/16/38/141171638.db2.gz YCEXXPJVNCUMDQ-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1F ZINC000332377571 141171639 /nfs/dbraw/zinc/17/16/39/141171639.db2.gz YCEXXPJVNCUMDQ-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)CC[C@@H]21 ZINC000332619386 141216299 /nfs/dbraw/zinc/21/62/99/141216299.db2.gz WIKOPXMYIBXZNF-CVEARBPZSA-N 1 2 332.379 1.312 20 30 EDEDLO COCCN1C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)CC[C@@H]21 ZINC000332619386 141216301 /nfs/dbraw/zinc/21/63/01/141216301.db2.gz WIKOPXMYIBXZNF-CVEARBPZSA-N 1 2 332.379 1.312 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000333304181 141295846 /nfs/dbraw/zinc/29/58/46/141295846.db2.gz UCYSZVLSMNFAFC-LBPRGKRZSA-N 1 2 325.459 1.915 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)s1 ZINC000333304181 141295847 /nfs/dbraw/zinc/29/58/47/141295847.db2.gz UCYSZVLSMNFAFC-LBPRGKRZSA-N 1 2 325.459 1.915 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000339812128 142165849 /nfs/dbraw/zinc/16/58/49/142165849.db2.gz IYWOHKPOAYFZOP-OAHLLOKOSA-N 1 2 349.394 1.197 20 30 EDEDLO CN1C(=O)C[C@H]([NH2+]Cc2ncc(C#N)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000572467351 306589658 /nfs/dbraw/zinc/58/96/58/306589658.db2.gz AQBGWQBVCPSOAA-WMLDXEAASA-N 1 2 343.337 1.688 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CSCc1ccc(C#N)cc1 ZINC000345396351 143086192 /nfs/dbraw/zinc/08/61/92/143086192.db2.gz IIKFFTXXALMBPR-OAHLLOKOSA-N 1 2 347.484 1.971 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000345433751 143090650 /nfs/dbraw/zinc/09/06/50/143090650.db2.gz RQGHJLPNQUBCFQ-GJZGRUSLSA-N 1 2 331.416 1.505 20 30 EDEDLO COC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000345773168 143131794 /nfs/dbraw/zinc/13/17/94/143131794.db2.gz OZXGEBSSMXOCJH-UHFFFAOYSA-N 1 2 338.367 1.810 20 30 EDEDLO COC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000345773168 143131795 /nfs/dbraw/zinc/13/17/95/143131795.db2.gz OZXGEBSSMXOCJH-UHFFFAOYSA-N 1 2 338.367 1.810 20 30 EDEDLO CCOC(=O)COCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000347714196 143353160 /nfs/dbraw/zinc/35/31/60/143353160.db2.gz BSELKZGNLKNIHP-UHFFFAOYSA-N 1 2 331.416 1.256 20 30 EDEDLO CCN1CCO[C@H](C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000369697476 155138512 /nfs/dbraw/zinc/13/85/12/155138512.db2.gz QQEOBXHPMFZYFY-KRWDZBQOSA-N 1 2 332.423 1.540 20 30 EDEDLO CN(C)C(=O)NCC[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000355066578 150100844 /nfs/dbraw/zinc/10/08/44/150100844.db2.gz KGVYJWYZAOUPSW-UHFFFAOYSA-N 1 2 337.811 1.353 20 30 EDEDLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000355066578 150100846 /nfs/dbraw/zinc/10/08/46/150100846.db2.gz KGVYJWYZAOUPSW-UHFFFAOYSA-N 1 2 337.811 1.353 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000355113318 150123113 /nfs/dbraw/zinc/12/31/13/150123113.db2.gz OBKYIGILDXCSGL-KKUMJFAQSA-N 1 2 331.416 1.551 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2cc(C#N)ccn2)C1 ZINC000357682986 151115134 /nfs/dbraw/zinc/11/51/34/151115134.db2.gz CLIDFZGTOVCZEA-SFHVURJKSA-N 1 2 344.415 1.489 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000360993631 152272465 /nfs/dbraw/zinc/27/24/65/152272465.db2.gz CZUIDAZVWFAALR-UHFFFAOYSA-N 1 2 345.362 1.999 20 30 EDEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000364740822 153319614 /nfs/dbraw/zinc/31/96/14/153319614.db2.gz SHSAZDBJMSEDBT-WMZOPIPTSA-N 1 2 349.394 1.795 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@]34CCOC4)CC2)cc1 ZINC000372052239 156225703 /nfs/dbraw/zinc/22/57/03/156225703.db2.gz BUYVGLYWLWNWOQ-MJGOQNOKSA-N 1 2 325.412 1.629 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c(F)c1 ZINC000374112685 157147262 /nfs/dbraw/zinc/14/72/62/157147262.db2.gz WUOFWDBDAZBDPZ-QGZVFWFLSA-N 1 2 330.407 1.484 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1C#N ZINC000378264711 158123849 /nfs/dbraw/zinc/12/38/49/158123849.db2.gz DBPAUPHCPBQQJO-ZDUSSCGKSA-N 1 2 337.383 1.555 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000378379007 158158483 /nfs/dbraw/zinc/15/84/83/158158483.db2.gz RGAZXALXBJZWIE-CQSZACIVSA-N 1 2 337.470 1.370 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(O)(C(F)F)CC2)C1=O ZINC000408366161 158343352 /nfs/dbraw/zinc/34/33/52/158343352.db2.gz MZZGJFLGPXZJTP-LLVKDONJSA-N 1 2 341.383 1.817 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000352326203 162118778 /nfs/dbraw/zinc/11/87/78/162118778.db2.gz CYBNBZINWVKRTL-UHFFFAOYSA-N 1 2 347.787 1.733 20 30 EDEDLO Cc1ccc(CNC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000060481776 287235483 /nfs/dbraw/zinc/23/54/83/287235483.db2.gz GDJXKRFMLUNRAF-UHFFFAOYSA-N 1 2 349.438 1.700 20 30 EDEDLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115535868 287345171 /nfs/dbraw/zinc/34/51/71/287345171.db2.gz OTXRFLJNXXEJLL-CABCVRRESA-N 1 2 330.388 1.295 20 30 EDEDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115535868 287345172 /nfs/dbraw/zinc/34/51/72/287345172.db2.gz OTXRFLJNXXEJLL-CABCVRRESA-N 1 2 330.388 1.295 20 30 EDEDLO C=CCN(Cc1c[nH+]c2ccc(C#N)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000092361209 264246120 /nfs/dbraw/zinc/24/61/20/264246120.db2.gz GZIWVQAGOHFZIM-CQSZACIVSA-N 1 2 330.413 1.381 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)s1 ZINC000279463369 273299672 /nfs/dbraw/zinc/29/96/72/273299672.db2.gz RIJLBSALOCXLIF-LBPRGKRZSA-N 1 2 325.459 1.620 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)s1 ZINC000279463369 273299674 /nfs/dbraw/zinc/29/96/74/273299674.db2.gz RIJLBSALOCXLIF-LBPRGKRZSA-N 1 2 325.459 1.620 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428449472 270012614 /nfs/dbraw/zinc/01/26/14/270012614.db2.gz WEEHHSDUJYTVDT-AWEZNQCLSA-N 1 2 332.423 1.730 20 30 EDEDLO N#Cc1nc(NCc2ccc[nH+]c2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000302747724 270011386 /nfs/dbraw/zinc/01/13/86/270011386.db2.gz UCEDDXTWDVWAKU-UHFFFAOYSA-N 1 2 340.343 1.705 20 30 EDEDLO CCOC(=O)c1ccc(C#N)c(SCC[N@@H+]2CCOC[C@H]2C)n1 ZINC000412989062 270011800 /nfs/dbraw/zinc/01/18/00/270011800.db2.gz MBCPTQXIYKNRII-GFCCVEGCSA-N 1 2 335.429 1.943 20 30 EDEDLO CCOC(=O)c1ccc(C#N)c(SCC[N@H+]2CCOC[C@H]2C)n1 ZINC000412989062 270011801 /nfs/dbraw/zinc/01/18/01/270011801.db2.gz MBCPTQXIYKNRII-GFCCVEGCSA-N 1 2 335.429 1.943 20 30 EDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000491658196 270014719 /nfs/dbraw/zinc/01/47/19/270014719.db2.gz JQRRCWLMHRQABS-LBPRGKRZSA-N 1 2 329.425 1.771 20 30 EDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000491658196 270014720 /nfs/dbraw/zinc/01/47/20/270014720.db2.gz JQRRCWLMHRQABS-LBPRGKRZSA-N 1 2 329.425 1.771 20 30 EDEDLO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)nn1 ZINC000289652648 266757681 /nfs/dbraw/zinc/75/76/81/266757681.db2.gz GIRDWUVFRARDGE-YMRXKLBXSA-N 1 2 345.378 1.726 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)c1cccc(C#N)c1 ZINC000290274393 267110185 /nfs/dbraw/zinc/11/01/85/267110185.db2.gz USTHRPGZDODUPW-CZUORRHYSA-N 1 2 335.429 1.042 20 30 EDEDLO CCOC(=O)c1c(NC(=O)NCc2[nH]cc[nH+]2)c(C#N)cn1CC ZINC000421179289 267138288 /nfs/dbraw/zinc/13/82/88/267138288.db2.gz ZRNHAWNWDDBVFL-UHFFFAOYSA-N 1 2 330.348 1.601 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284924458 267140387 /nfs/dbraw/zinc/14/03/87/267140387.db2.gz VWMWVEPMZLNCSD-XYPHTWIQSA-N 1 2 328.416 1.290 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000284924458 267140390 /nfs/dbraw/zinc/14/03/90/267140390.db2.gz VWMWVEPMZLNCSD-XYPHTWIQSA-N 1 2 328.416 1.290 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284924458 267140396 /nfs/dbraw/zinc/14/03/96/267140396.db2.gz VWMWVEPMZLNCSD-XYPHTWIQSA-N 1 2 328.416 1.290 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284924458 267140398 /nfs/dbraw/zinc/14/03/98/267140398.db2.gz VWMWVEPMZLNCSD-XYPHTWIQSA-N 1 2 328.416 1.290 20 30 EDEDLO CN(C[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1)S(C)(=O)=O ZINC000428976840 267307898 /nfs/dbraw/zinc/30/78/98/267307898.db2.gz KZECSKBRLAFKFJ-CYBMUJFWSA-N 1 2 339.436 1.801 20 30 EDEDLO CN(C[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1)S(C)(=O)=O ZINC000428976840 267307901 /nfs/dbraw/zinc/30/79/01/267307901.db2.gz KZECSKBRLAFKFJ-CYBMUJFWSA-N 1 2 339.436 1.801 20 30 EDEDLO COC(=O)[C@H]1CSCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000412091630 267391005 /nfs/dbraw/zinc/39/10/05/267391005.db2.gz YUHRAMSHSIMPIP-GXTWGEPZSA-N 1 2 347.440 1.723 20 30 EDEDLO COC(=O)[C@H]1CSCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000412091630 267391008 /nfs/dbraw/zinc/39/10/08/267391008.db2.gz YUHRAMSHSIMPIP-GXTWGEPZSA-N 1 2 347.440 1.723 20 30 EDEDLO C[C@H](NC(=O)NCc1ccc(C#N)c(F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000454543637 267846538 /nfs/dbraw/zinc/84/65/38/267846538.db2.gz MBKAQMGSJDQREA-STQMWFEESA-N 1 2 334.395 1.606 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CCCS(N)(=O)=O)CC2)c(Cl)c1 ZINC000277739022 268117277 /nfs/dbraw/zinc/11/72/77/268117277.db2.gz KOGSYOMLLQEEJL-UHFFFAOYSA-N 1 2 342.852 1.012 20 30 EDEDLO Cn1ncc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C#N ZINC000527024203 268131990 /nfs/dbraw/zinc/13/19/90/268131990.db2.gz SHKLIOVDVVTKKM-UHFFFAOYSA-N 1 2 338.415 1.844 20 30 EDEDLO N#Cc1c(F)cccc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000427751961 268161874 /nfs/dbraw/zinc/16/18/74/268161874.db2.gz JWIYAGAJGQYBLS-CQSZACIVSA-N 1 2 347.390 1.261 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)nc1 ZINC000290796165 268187390 /nfs/dbraw/zinc/18/73/90/268187390.db2.gz OYRCTFNYHXQRQY-INIZCTEOSA-N 1 2 331.441 1.991 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC3(CCC3)[C@@H]2C2CC2)nc1 ZINC000290796165 268187392 /nfs/dbraw/zinc/18/73/92/268187392.db2.gz OYRCTFNYHXQRQY-INIZCTEOSA-N 1 2 331.441 1.991 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000531787615 268251782 /nfs/dbraw/zinc/25/17/82/268251782.db2.gz XVVDLNIDQZJHDN-GFCCVEGCSA-N 1 2 334.376 1.989 20 30 EDEDLO C=CCN(C)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000346851601 277841179 /nfs/dbraw/zinc/84/11/79/277841179.db2.gz IMMCKFSMZLBOPF-CJNGLKHVSA-N 1 2 331.420 1.442 20 30 EDEDLO Cc1nnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH]1 ZINC000334027071 293390961 /nfs/dbraw/zinc/39/09/61/293390961.db2.gz HVDNLUDNRBSOKB-JSGCOSHPSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1nnc([C@H]2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH]1 ZINC000334027071 293390966 /nfs/dbraw/zinc/39/09/66/293390966.db2.gz HVDNLUDNRBSOKB-JSGCOSHPSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000334027071 293390969 /nfs/dbraw/zinc/39/09/69/293390969.db2.gz HVDNLUDNRBSOKB-JSGCOSHPSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1n[nH]c([C@H]2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000334027071 293390971 /nfs/dbraw/zinc/39/09/71/293390971.db2.gz HVDNLUDNRBSOKB-JSGCOSHPSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1nc([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n[nH]1 ZINC000334027071 293390974 /nfs/dbraw/zinc/39/09/74/293390974.db2.gz HVDNLUDNRBSOKB-JSGCOSHPSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1nc([C@H]2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n[nH]1 ZINC000334027071 293390978 /nfs/dbraw/zinc/39/09/78/293390978.db2.gz HVDNLUDNRBSOKB-JSGCOSHPSA-N 1 2 330.436 1.634 20 30 EDEDLO N#Cc1cc(F)ccc1S(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000443315091 303183543 /nfs/dbraw/zinc/18/35/43/303183543.db2.gz BXOCLTACHVQTMW-UHFFFAOYSA-N 1 2 332.316 1.240 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CC2(O)CCCC2)CC1 ZINC000330590253 303206878 /nfs/dbraw/zinc/20/68/78/303206878.db2.gz PYFWQKXIRGJQFX-UHFFFAOYSA-N 1 2 349.456 1.170 20 30 EDEDLO CC#CCN(C)C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000458432206 447364277 /nfs/dbraw/zinc/36/42/77/447364277.db2.gz WOLUJKARHOMEGU-UHFFFAOYSA-N 1 2 345.443 1.727 20 30 EDEDLO CC#CCN(C)C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000458432206 447364286 /nfs/dbraw/zinc/36/42/86/447364286.db2.gz WOLUJKARHOMEGU-UHFFFAOYSA-N 1 2 345.443 1.727 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000552051848 306174600 /nfs/dbraw/zinc/17/46/00/306174600.db2.gz KLWAGYMRMWOTSV-UHFFFAOYSA-N 1 2 332.358 1.737 20 30 EDEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000556677000 306213363 /nfs/dbraw/zinc/21/33/63/306213363.db2.gz IUPUOUDQLSYUPA-AWEZNQCLSA-N 1 2 340.452 1.811 20 30 EDEDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047859011 441231175 /nfs/dbraw/zinc/23/11/75/441231175.db2.gz DTUTVTTUOYTCGL-OAHLLOKOSA-N 1 2 327.432 1.476 20 30 EDEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000017843829 441244988 /nfs/dbraw/zinc/24/49/88/441244988.db2.gz AZJVGBQEWSMTMU-UHFFFAOYSA-N 1 2 336.395 1.920 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481715 441246370 /nfs/dbraw/zinc/24/63/70/441246370.db2.gz DVHBOOCOETVYDV-CQSZACIVSA-N 1 2 327.432 1.523 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000060633889 441254103 /nfs/dbraw/zinc/25/41/03/441254103.db2.gz FPCLRUUZOCTOOO-UHFFFAOYSA-N 1 2 332.360 1.283 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)c1ccccc1Cl ZINC000081515429 441280880 /nfs/dbraw/zinc/28/08/80/441280880.db2.gz FKKHRHYBQILLGR-KRWDZBQOSA-N 1 2 337.851 1.921 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000081541411 441285192 /nfs/dbraw/zinc/28/51/92/441285192.db2.gz AHHVAVXYNOFONQ-UHFFFAOYSA-N 1 2 335.795 1.283 20 30 EDEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073647715 441338978 /nfs/dbraw/zinc/33/89/78/441338978.db2.gz XMDHTBVUZANIFE-GJZGRUSLSA-N 1 2 329.448 1.769 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)NCCNc2cccc[nH+]2)ccc1Cl ZINC000049018733 441341910 /nfs/dbraw/zinc/34/19/10/441341910.db2.gz PROSAWSKTOZZGS-UHFFFAOYSA-N 1 2 343.774 1.773 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000073741173 441349108 /nfs/dbraw/zinc/34/91/08/441349108.db2.gz UUHFUIGWTWFWIR-QGZVFWFLSA-N 1 2 348.491 1.799 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000063822213 441355948 /nfs/dbraw/zinc/35/59/48/441355948.db2.gz QORYBEWWLCOPAM-UHFFFAOYSA-N 1 2 333.351 1.769 20 30 EDEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000065296788 441416628 /nfs/dbraw/zinc/41/66/28/441416628.db2.gz ZKJYAVZATVRTBX-OAHLLOKOSA-N 1 2 334.464 1.662 20 30 EDEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000065296788 441416632 /nfs/dbraw/zinc/41/66/32/441416632.db2.gz ZKJYAVZATVRTBX-OAHLLOKOSA-N 1 2 334.464 1.662 20 30 EDEDLO C[N@H+](CCN1CCOCC1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000074290398 441417716 /nfs/dbraw/zinc/41/77/16/441417716.db2.gz QHGCLSFHXLKFOH-UHFFFAOYSA-N 1 2 336.823 1.414 20 30 EDEDLO C[N@@H+](CCN1CCOCC1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000074290398 441417720 /nfs/dbraw/zinc/41/77/20/441417720.db2.gz QHGCLSFHXLKFOH-UHFFFAOYSA-N 1 2 336.823 1.414 20 30 EDEDLO CN(CC[NH+]1CCOCC1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000074290398 441417722 /nfs/dbraw/zinc/41/77/22/441417722.db2.gz QHGCLSFHXLKFOH-UHFFFAOYSA-N 1 2 336.823 1.414 20 30 EDEDLO N#Cc1ccc(C[N@@H+](CC(=O)NC(N)=O)Cc2cccc(F)c2)cc1 ZINC000108749113 441472917 /nfs/dbraw/zinc/47/29/17/441472917.db2.gz NBLHQLGGSXNPDG-UHFFFAOYSA-N 1 2 340.358 1.894 20 30 EDEDLO N#Cc1ccc(C[N@H+](CC(=O)NC(N)=O)Cc2cccc(F)c2)cc1 ZINC000108749113 441472918 /nfs/dbraw/zinc/47/29/18/441472918.db2.gz NBLHQLGGSXNPDG-UHFFFAOYSA-N 1 2 340.358 1.894 20 30 EDEDLO C=C(C)C[N@@H+](CC)CC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000052890404 441484527 /nfs/dbraw/zinc/48/45/27/441484527.db2.gz YVHVZPTYROIHIW-HNNXBMFYSA-N 1 2 330.494 1.700 20 30 EDEDLO C=C(C)C[N@H+](CC)CC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000052890404 441484530 /nfs/dbraw/zinc/48/45/30/441484530.db2.gz YVHVZPTYROIHIW-HNNXBMFYSA-N 1 2 330.494 1.700 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccc(F)cc1 ZINC000065957959 441497580 /nfs/dbraw/zinc/49/75/80/441497580.db2.gz YOESFOBHIQOSFI-UHFFFAOYSA-N 1 2 346.402 1.626 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccc(F)cc1 ZINC000065957959 441497581 /nfs/dbraw/zinc/49/75/81/441497581.db2.gz YOESFOBHIQOSFI-UHFFFAOYSA-N 1 2 346.402 1.626 20 30 EDEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000088777421 441521658 /nfs/dbraw/zinc/52/16/58/441521658.db2.gz BOMFEHOLROZMPZ-NSHDSACASA-N 1 2 334.376 1.989 20 30 EDEDLO C=CC1CC[NH+]([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000111693172 441539637 /nfs/dbraw/zinc/53/96/37/441539637.db2.gz YZZXRGNPDYXOPL-ZFWWWQNUSA-N 1 2 328.478 1.309 20 30 EDEDLO C#CC[N@@H+](CCOCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538012 441542536 /nfs/dbraw/zinc/54/25/36/441542536.db2.gz CSEITCVYJLZZKI-MRXNPFEDSA-N 1 2 337.441 1.204 20 30 EDEDLO C#CC[N@H+](CCOCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538012 441542539 /nfs/dbraw/zinc/54/25/39/441542539.db2.gz CSEITCVYJLZZKI-MRXNPFEDSA-N 1 2 337.441 1.204 20 30 EDEDLO CCOC(=O)N1CCN(C(=O)C[N@H+](CCC#N)CC(C)(C)C)CC1 ZINC000109812007 441509212 /nfs/dbraw/zinc/50/92/12/441509212.db2.gz AJXBVQIOKXFEAG-UHFFFAOYSA-N 1 2 338.452 1.549 20 30 EDEDLO CCOC(=O)N1CCN(C(=O)C[N@@H+](CCC#N)CC(C)(C)C)CC1 ZINC000109812007 441509215 /nfs/dbraw/zinc/50/92/15/441509215.db2.gz AJXBVQIOKXFEAG-UHFFFAOYSA-N 1 2 338.452 1.549 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857717 441559973 /nfs/dbraw/zinc/55/99/73/441559973.db2.gz SUWALBLPQZUYAX-WMLDXEAASA-N 1 2 333.436 1.235 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000113253601 441592986 /nfs/dbraw/zinc/59/29/86/441592986.db2.gz DABMSJGFYFJSKW-UHFFFAOYSA-N 1 2 338.415 1.048 20 30 EDEDLO C#CC[NH+](CC#C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000076185384 441607731 /nfs/dbraw/zinc/60/77/31/441607731.db2.gz PPVPAISHHRPLAB-QGZVFWFLSA-N 1 2 338.407 1.690 20 30 EDEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3cccc(C#N)c3)cn2c1 ZINC000055296111 441639825 /nfs/dbraw/zinc/63/98/25/441639825.db2.gz KHIORFLZGJOYGI-UHFFFAOYSA-N 1 2 326.381 1.993 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000076907946 441692343 /nfs/dbraw/zinc/69/23/43/441692343.db2.gz SKHFWYACDBNUFZ-OAHLLOKOSA-N 1 2 332.404 1.122 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000076907946 441692346 /nfs/dbraw/zinc/69/23/46/441692346.db2.gz SKHFWYACDBNUFZ-OAHLLOKOSA-N 1 2 332.404 1.122 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000067715444 441672432 /nfs/dbraw/zinc/67/24/32/441672432.db2.gz XRLZJRIQRCWJAV-OAHLLOKOSA-N 1 2 325.372 1.139 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000067715444 441672438 /nfs/dbraw/zinc/67/24/38/441672438.db2.gz XRLZJRIQRCWJAV-OAHLLOKOSA-N 1 2 325.372 1.139 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000055949372 441676545 /nfs/dbraw/zinc/67/65/45/441676545.db2.gz VEYZFROMDMYHFX-INIZCTEOSA-N 1 2 344.459 1.826 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1 ZINC000115598050 441764246 /nfs/dbraw/zinc/76/42/46/441764246.db2.gz YITLDNKDBPGMAF-CXAGYDPISA-N 1 2 336.395 1.379 20 30 EDEDLO COC(C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1)OC ZINC000136785353 441724135 /nfs/dbraw/zinc/72/41/35/441724135.db2.gz FNKNNTZHVROCPP-UHFFFAOYSA-N 1 2 332.360 1.547 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CCC(F)(F)F)CC1 ZINC000092618406 441814195 /nfs/dbraw/zinc/81/41/95/441814195.db2.gz WSIMHNDTGMCTSZ-ZDUSSCGKSA-N 1 2 334.386 1.563 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCC(F)(F)F)CC1 ZINC000092618406 441814197 /nfs/dbraw/zinc/81/41/97/441814197.db2.gz WSIMHNDTGMCTSZ-ZDUSSCGKSA-N 1 2 334.386 1.563 20 30 EDEDLO N#Cc1cnc(NCc2ccccc2OCC[NH+]2CCOCC2)cn1 ZINC000122686372 441860083 /nfs/dbraw/zinc/86/00/83/441860083.db2.gz PZPWHDCRHYUNOJ-UHFFFAOYSA-N 1 2 339.399 1.671 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000173752273 441833272 /nfs/dbraw/zinc/83/32/72/441833272.db2.gz UHLVVOGPPWBZPQ-OAHLLOKOSA-N 1 2 335.429 1.044 20 30 EDEDLO N#Cc1cccnc1N1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000068745123 441845384 /nfs/dbraw/zinc/84/53/84/441845384.db2.gz ASEMWRYGCFFEAM-UHFFFAOYSA-N 1 2 346.394 1.492 20 30 EDEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000160639723 441904884 /nfs/dbraw/zinc/90/48/84/441904884.db2.gz LLTWORJTXREEFV-OAHLLOKOSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000160639723 441904888 /nfs/dbraw/zinc/90/48/88/441904888.db2.gz LLTWORJTXREEFV-OAHLLOKOSA-N 1 2 337.420 1.697 20 30 EDEDLO C[C@H](C(=O)N(CC#N)CC#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117777340 441878596 /nfs/dbraw/zinc/87/85/96/441878596.db2.gz LZUWRBGVYAXLAD-CQSZACIVSA-N 1 2 329.379 1.212 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)NC1CCCCCC1 ZINC000078720280 441965827 /nfs/dbraw/zinc/96/58/27/441965827.db2.gz KLECSIQLUZSBJG-UHFFFAOYSA-N 1 2 336.480 1.373 20 30 EDEDLO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000120327703 442050866 /nfs/dbraw/zinc/05/08/66/442050866.db2.gz SUZDBODLTUOWOS-INIZCTEOSA-N 1 2 338.860 1.848 20 30 EDEDLO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000120327703 442050869 /nfs/dbraw/zinc/05/08/69/442050869.db2.gz SUZDBODLTUOWOS-INIZCTEOSA-N 1 2 338.860 1.848 20 30 EDEDLO N#CC1(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCSCC1 ZINC000162602642 442107289 /nfs/dbraw/zinc/10/72/89/442107289.db2.gz XBPGDCXUXPRKTL-INIZCTEOSA-N 1 2 345.468 1.793 20 30 EDEDLO N#CC1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCSCC1 ZINC000162602642 442107292 /nfs/dbraw/zinc/10/72/92/442107292.db2.gz XBPGDCXUXPRKTL-INIZCTEOSA-N 1 2 345.468 1.793 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000121018225 442165833 /nfs/dbraw/zinc/16/58/33/442165833.db2.gz QZRROLYWSIXCIA-GJZGRUSLSA-N 1 2 334.807 1.165 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000121018225 442165837 /nfs/dbraw/zinc/16/58/37/442165837.db2.gz QZRROLYWSIXCIA-GJZGRUSLSA-N 1 2 334.807 1.165 20 30 EDEDLO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3sccc3C#N)C2)CC1 ZINC000175998282 442159666 /nfs/dbraw/zinc/15/96/66/442159666.db2.gz YOQZLRWOAWAQKK-OAHLLOKOSA-N 1 2 332.473 1.862 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000153588646 442290761 /nfs/dbraw/zinc/29/07/61/442290761.db2.gz MYNUCWWUGJNLMF-SWKXRBFHSA-N 1 2 349.479 1.392 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000153588646 442290764 /nfs/dbraw/zinc/29/07/64/442290764.db2.gz MYNUCWWUGJNLMF-SWKXRBFHSA-N 1 2 349.479 1.392 20 30 EDEDLO O=C(C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1)N1CCCC1 ZINC000154546815 442344863 /nfs/dbraw/zinc/34/48/63/442344863.db2.gz BYDDCNWDUPRDEL-UHFFFAOYSA-N 1 2 329.419 1.417 20 30 EDEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000171418945 442346945 /nfs/dbraw/zinc/34/69/45/442346945.db2.gz HUNVIKKEIRJBKS-UHFFFAOYSA-N 1 2 334.376 1.637 20 30 EDEDLO CC(C)(C)OC(=O)NCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000130727756 442354889 /nfs/dbraw/zinc/35/48/89/442354889.db2.gz UGNHSSYUYXTECL-UHFFFAOYSA-N 1 2 326.441 1.059 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000154913270 442364126 /nfs/dbraw/zinc/36/41/26/442364126.db2.gz PKDQOUJHVAOMNR-CVEARBPZSA-N 1 2 337.464 1.123 20 30 EDEDLO C[N@H+](CC(=O)NCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000171732849 442374953 /nfs/dbraw/zinc/37/49/53/442374953.db2.gz HKZUCWSGHQDSHK-JSGCOSHPSA-N 1 2 328.199 1.523 20 30 EDEDLO C[N@@H+](CC(=O)NCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000171732849 442374956 /nfs/dbraw/zinc/37/49/56/442374956.db2.gz HKZUCWSGHQDSHK-JSGCOSHPSA-N 1 2 328.199 1.523 20 30 EDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000155234978 442383249 /nfs/dbraw/zinc/38/32/49/442383249.db2.gz VZZNUASPVOVHQM-KBPBESRZSA-N 1 2 331.416 1.959 20 30 EDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000155234978 442383251 /nfs/dbraw/zinc/38/32/51/442383251.db2.gz VZZNUASPVOVHQM-KBPBESRZSA-N 1 2 331.416 1.959 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000186283890 442503720 /nfs/dbraw/zinc/50/37/20/442503720.db2.gz AYSNIAPGCYWXIF-MRXNPFEDSA-N 1 2 326.444 1.859 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000186283890 442503725 /nfs/dbraw/zinc/50/37/25/442503725.db2.gz AYSNIAPGCYWXIF-MRXNPFEDSA-N 1 2 326.444 1.859 20 30 EDEDLO COCc1noc(CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000186288078 442505157 /nfs/dbraw/zinc/50/51/57/442505157.db2.gz ZMDXDJHMPFWVCV-CQSZACIVSA-N 1 2 341.415 1.966 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000180094338 442539731 /nfs/dbraw/zinc/53/97/31/442539731.db2.gz TYURQBVKEUZBJT-HUUCEWRRSA-N 1 2 345.447 1.735 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000134796626 442523598 /nfs/dbraw/zinc/52/35/98/442523598.db2.gz UJCQLPWRBVIFHF-NVXWUHKLSA-N 1 2 344.415 1.892 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000134796626 442523603 /nfs/dbraw/zinc/52/36/03/442523603.db2.gz UJCQLPWRBVIFHF-NVXWUHKLSA-N 1 2 344.415 1.892 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000180719783 442651974 /nfs/dbraw/zinc/65/19/74/442651974.db2.gz VNZPMIATGHOLFM-MSOLQXFVSA-N 1 2 349.438 1.855 20 30 EDEDLO C#CCCCCNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000192500707 442654331 /nfs/dbraw/zinc/65/43/31/442654331.db2.gz YMGSXAJJYKQSEE-UHFFFAOYSA-N 1 2 337.464 1.359 20 30 EDEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(C#N)nc1 ZINC000192244170 442621293 /nfs/dbraw/zinc/62/12/93/442621293.db2.gz SJKGYPIBVYQXHF-UHFFFAOYSA-N 1 2 347.444 1.813 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@@H]1O ZINC000186922949 442630443 /nfs/dbraw/zinc/63/04/43/442630443.db2.gz XQNLLWATYGILBI-CJNGLKHVSA-N 1 2 339.399 1.385 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@@H]1O ZINC000186922949 442630447 /nfs/dbraw/zinc/63/04/47/442630447.db2.gz XQNLLWATYGILBI-CJNGLKHVSA-N 1 2 339.399 1.385 20 30 EDEDLO C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H](C(N)=O)C1 ZINC000187426801 442676465 /nfs/dbraw/zinc/67/64/65/442676465.db2.gz LLZMIBVYLNZAHZ-HOCLYGCPSA-N 1 2 328.416 1.519 20 30 EDEDLO C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H](C(N)=O)C1 ZINC000187426801 442676466 /nfs/dbraw/zinc/67/64/66/442676466.db2.gz LLZMIBVYLNZAHZ-HOCLYGCPSA-N 1 2 328.416 1.519 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000181419559 442696232 /nfs/dbraw/zinc/69/62/32/442696232.db2.gz QKSKBOIWUOEDLF-LSDHHAIUSA-N 1 2 336.480 1.726 20 30 EDEDLO COC(=O)CCN1CC[N@H+](CCOc2ccccc2C#N)[C@H](C)C1 ZINC000182123394 442738108 /nfs/dbraw/zinc/73/81/08/442738108.db2.gz QSYLHVTUZXCIGR-OAHLLOKOSA-N 1 2 331.416 1.506 20 30 EDEDLO COC(=O)CCN1CC[N@@H+](CCOc2ccccc2C#N)[C@H](C)C1 ZINC000182123394 442738111 /nfs/dbraw/zinc/73/81/11/442738111.db2.gz QSYLHVTUZXCIGR-OAHLLOKOSA-N 1 2 331.416 1.506 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000193966235 442821032 /nfs/dbraw/zinc/82/10/32/442821032.db2.gz LUCOILCAYQSIPG-UHFFFAOYSA-N 1 2 346.350 1.394 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000183005359 442863063 /nfs/dbraw/zinc/86/30/63/442863063.db2.gz FDKDERVFSRSNTN-INIZCTEOSA-N 1 2 328.416 1.710 20 30 EDEDLO CCCNC(=O)CN(C)C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194538866 442912387 /nfs/dbraw/zinc/91/23/87/442912387.db2.gz DPWVRJFLHJJZBO-UHFFFAOYSA-N 1 2 342.443 1.507 20 30 EDEDLO CCCNC(=O)CN(C)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194538866 442912389 /nfs/dbraw/zinc/91/23/89/442912389.db2.gz DPWVRJFLHJJZBO-UHFFFAOYSA-N 1 2 342.443 1.507 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248733541 442921671 /nfs/dbraw/zinc/92/16/71/442921671.db2.gz KCGCBNAKKCGYHY-CVEARBPZSA-N 1 2 326.400 1.264 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248733541 442921677 /nfs/dbraw/zinc/92/16/77/442921677.db2.gz KCGCBNAKKCGYHY-CVEARBPZSA-N 1 2 326.400 1.264 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccnc(C)n2)CC1 ZINC000183785159 442964141 /nfs/dbraw/zinc/96/41/41/442964141.db2.gz FLPOHNNZMOBBIK-HNNXBMFYSA-N 1 2 329.448 1.496 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccnc(C)n2)CC1 ZINC000183804703 442966004 /nfs/dbraw/zinc/96/60/04/442966004.db2.gz MQUNHVLXZANKJO-HNNXBMFYSA-N 1 2 331.464 1.720 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184068388 442987924 /nfs/dbraw/zinc/98/79/24/442987924.db2.gz AFLCDVHVCVZEPE-HNNXBMFYSA-N 1 2 345.447 1.196 20 30 EDEDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)ncn1 ZINC000184087826 442991121 /nfs/dbraw/zinc/99/11/21/442991121.db2.gz HFQJUFJHVRTYTQ-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000266573641 443172165 /nfs/dbraw/zinc/17/21/65/443172165.db2.gz FFEMOBOOBPBXMJ-CQSZACIVSA-N 1 2 349.862 1.717 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000266573641 443172166 /nfs/dbraw/zinc/17/21/66/443172166.db2.gz FFEMOBOOBPBXMJ-CQSZACIVSA-N 1 2 349.862 1.717 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185194449 443158515 /nfs/dbraw/zinc/15/85/15/443158515.db2.gz RDVAHQRYMROEHD-VQIMIIECSA-N 1 2 343.427 1.813 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185194449 443158518 /nfs/dbraw/zinc/15/85/18/443158518.db2.gz RDVAHQRYMROEHD-VQIMIIECSA-N 1 2 343.427 1.813 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191320642 443278025 /nfs/dbraw/zinc/27/80/25/443278025.db2.gz HRCOGWLDELNKFY-HNNXBMFYSA-N 1 2 343.475 1.462 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191320642 443278029 /nfs/dbraw/zinc/27/80/29/443278029.db2.gz HRCOGWLDELNKFY-HNNXBMFYSA-N 1 2 343.475 1.462 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000267039097 443321007 /nfs/dbraw/zinc/32/10/07/443321007.db2.gz ADNWCSHWWNEHHW-GXTWGEPZSA-N 1 2 346.387 1.520 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000267039097 443321013 /nfs/dbraw/zinc/32/10/13/443321013.db2.gz ADNWCSHWWNEHHW-GXTWGEPZSA-N 1 2 346.387 1.520 20 30 EDEDLO CC(C)(CNc1ccc(Cl)c(C#N)n1)[NH+]1CCS(=O)CC1 ZINC000267194736 443373569 /nfs/dbraw/zinc/37/35/69/443373569.db2.gz IBQWUIFARNBXKD-UHFFFAOYSA-N 1 2 326.853 1.861 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(F)c1 ZINC000278765924 443431443 /nfs/dbraw/zinc/43/14/43/443431443.db2.gz BZEURKBSITVYQZ-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(F)c1 ZINC000278765924 443431448 /nfs/dbraw/zinc/43/14/48/443431448.db2.gz BZEURKBSITVYQZ-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000267516980 443483057 /nfs/dbraw/zinc/48/30/57/443483057.db2.gz NVJCOWZMLCHZPX-UHFFFAOYSA-N 1 2 340.349 1.963 20 30 EDEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000271056001 443488663 /nfs/dbraw/zinc/48/86/63/443488663.db2.gz RBLYRRZBFSROQW-UHFFFAOYSA-N 1 2 334.441 1.609 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267563260 443498160 /nfs/dbraw/zinc/49/81/60/443498160.db2.gz OLKPXQGPIFSTDK-LLVKDONJSA-N 1 2 341.346 1.765 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C)CC1 ZINC000283246765 443573622 /nfs/dbraw/zinc/57/36/22/443573622.db2.gz SRRVGVZABFEYIO-CQSZACIVSA-N 1 2 343.406 1.849 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000267781386 443575918 /nfs/dbraw/zinc/57/59/18/443575918.db2.gz CJVYIMDDMXXGAE-UHFFFAOYSA-N 1 2 337.811 1.815 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc2n[nH]cc2c1 ZINC000279778292 443626593 /nfs/dbraw/zinc/62/65/93/443626593.db2.gz LAXRHZHTRQQDDA-UHFFFAOYSA-N 1 2 341.415 1.180 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccnc(C#N)c3)CC2)S1 ZINC000280167924 443674594 /nfs/dbraw/zinc/67/45/94/443674594.db2.gz OPLSUCJPLNHTSZ-UHFFFAOYSA-N 1 2 329.429 1.592 20 30 EDEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000276315756 443686082 /nfs/dbraw/zinc/68/60/82/443686082.db2.gz NFOSFJMZSMRGEC-ZDUSSCGKSA-N 1 2 347.444 1.561 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)COc2ccc(C#N)cc2)CCO1 ZINC000276359507 443690375 /nfs/dbraw/zinc/69/03/75/443690375.db2.gz RSBARZFHRZKSQL-PBHICJAKSA-N 1 2 340.383 1.707 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2nncn2C)c(OC)c1 ZINC000287007034 443732991 /nfs/dbraw/zinc/73/29/91/443732991.db2.gz QLFPCPZYZUFTTB-HNNXBMFYSA-N 1 2 346.431 1.424 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2nncn2C)c(OC)c1 ZINC000287007034 443732996 /nfs/dbraw/zinc/73/29/96/443732996.db2.gz QLFPCPZYZUFTTB-HNNXBMFYSA-N 1 2 346.431 1.424 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280640267 443739030 /nfs/dbraw/zinc/73/90/30/443739030.db2.gz YGYXIHDIAQILSM-OAHLLOKOSA-N 1 2 328.460 1.853 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000287256344 443739733 /nfs/dbraw/zinc/73/97/33/443739733.db2.gz JZJIATMBZBZDBP-AEFFLSMTSA-N 1 2 338.411 1.208 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000287256344 443739735 /nfs/dbraw/zinc/73/97/35/443739735.db2.gz JZJIATMBZBZDBP-AEFFLSMTSA-N 1 2 338.411 1.208 20 30 EDEDLO C=CC[N@@H+](CCC#N)C[C@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000292265386 443787746 /nfs/dbraw/zinc/78/77/46/443787746.db2.gz RTEINIUWDRUGRN-HNNXBMFYSA-N 1 2 348.399 1.623 20 30 EDEDLO C=CC[N@H+](CCC#N)C[C@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000292265386 443787749 /nfs/dbraw/zinc/78/77/49/443787749.db2.gz RTEINIUWDRUGRN-HNNXBMFYSA-N 1 2 348.399 1.623 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000291276877 443754639 /nfs/dbraw/zinc/75/46/39/443754639.db2.gz ZUFOIRVLBBFABS-UHFFFAOYSA-N 1 2 346.412 1.003 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000291395338 443757387 /nfs/dbraw/zinc/75/73/87/443757387.db2.gz IEPQJJSUDQIZJE-UHFFFAOYSA-N 1 2 341.390 1.964 20 30 EDEDLO Cc1nsc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1C#N ZINC000287801910 443757789 /nfs/dbraw/zinc/75/77/89/443757789.db2.gz JIQFFGVKMZPVPB-UHFFFAOYSA-N 1 2 330.461 1.996 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C[C@@H]21 ZINC000284169895 443769202 /nfs/dbraw/zinc/76/92/02/443769202.db2.gz RMIHJRRQUHAYTJ-DLBZAZTESA-N 1 2 325.412 1.787 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C[C@@H]21 ZINC000284169895 443769203 /nfs/dbraw/zinc/76/92/03/443769203.db2.gz RMIHJRRQUHAYTJ-DLBZAZTESA-N 1 2 325.412 1.787 20 30 EDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COCc1ccc(OC)c(OC)c1 ZINC000292123909 443777491 /nfs/dbraw/zinc/77/74/91/443777491.db2.gz IGIZJMWALSDXGV-MRXNPFEDSA-N 1 2 334.416 1.983 20 30 EDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COCc1ccc(OC)c(OC)c1 ZINC000292123909 443777495 /nfs/dbraw/zinc/77/74/95/443777495.db2.gz IGIZJMWALSDXGV-MRXNPFEDSA-N 1 2 334.416 1.983 20 30 EDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292205035 443782971 /nfs/dbraw/zinc/78/29/71/443782971.db2.gz OAEVHXNAQCPZPY-CQSZACIVSA-N 1 2 340.387 1.385 20 30 EDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292205035 443782973 /nfs/dbraw/zinc/78/29/73/443782973.db2.gz OAEVHXNAQCPZPY-CQSZACIVSA-N 1 2 340.387 1.385 20 30 EDEDLO C=C[C@H](CO)NC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000292597865 443802442 /nfs/dbraw/zinc/80/24/42/443802442.db2.gz WBDAVNXAWNXLIV-IAGOWNOFSA-N 1 2 333.432 1.214 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(COC)cc2)C1=O ZINC000281354525 443888275 /nfs/dbraw/zinc/88/82/75/443888275.db2.gz NKFGJIVNLHUYGH-QGZVFWFLSA-N 1 2 345.443 1.168 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(COC)cc2)C1=O ZINC000281354525 443888281 /nfs/dbraw/zinc/88/82/81/443888281.db2.gz NKFGJIVNLHUYGH-QGZVFWFLSA-N 1 2 345.443 1.168 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)N2CCc3ccccc3C2)C1=O ZINC000281370103 443891895 /nfs/dbraw/zinc/89/18/95/443891895.db2.gz OJBCDTQNOMPXBR-MAUKXSAKSA-N 1 2 341.455 1.679 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)N2CCc3ccccc3C2)C1=O ZINC000281370103 443891898 /nfs/dbraw/zinc/89/18/98/443891898.db2.gz OJBCDTQNOMPXBR-MAUKXSAKSA-N 1 2 341.455 1.679 20 30 EDEDLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCn1cnc(C#N)n1 ZINC000285115841 443861045 /nfs/dbraw/zinc/86/10/45/443861045.db2.gz MYUNACYXSRHBDK-CYBMUJFWSA-N 1 2 333.779 1.177 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2OC)C1=O ZINC000281498627 443927594 /nfs/dbraw/zinc/92/75/94/443927594.db2.gz XYDANXPNCBCUQY-OAHLLOKOSA-N 1 2 331.416 1.030 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCc2ccccc2OC)C1=O ZINC000281498627 443927595 /nfs/dbraw/zinc/92/75/95/443927595.db2.gz XYDANXPNCBCUQY-OAHLLOKOSA-N 1 2 331.416 1.030 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281600081 443955402 /nfs/dbraw/zinc/95/54/02/443955402.db2.gz GFZQOADTYPWPBL-IAGOWNOFSA-N 1 2 344.390 1.589 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281600081 443955406 /nfs/dbraw/zinc/95/54/06/443955406.db2.gz GFZQOADTYPWPBL-IAGOWNOFSA-N 1 2 344.390 1.589 20 30 EDEDLO C#CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1 ZINC000285631514 444054040 /nfs/dbraw/zinc/05/40/40/444054040.db2.gz KTOKVFXOBOQOSI-UHFFFAOYSA-N 1 2 327.306 1.510 20 30 EDEDLO C#CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1 ZINC000285631514 444054044 /nfs/dbraw/zinc/05/40/44/444054044.db2.gz KTOKVFXOBOQOSI-UHFFFAOYSA-N 1 2 327.306 1.510 20 30 EDEDLO Cc1n[nH]c(C)c1CCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000299546927 444075734 /nfs/dbraw/zinc/07/57/34/444075734.db2.gz RNUDVLDYOSOSIK-UHFFFAOYSA-N 1 2 333.436 1.034 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3cccc(F)c3C#N)CC2)C1=O ZINC000282009992 444061559 /nfs/dbraw/zinc/06/15/59/444061559.db2.gz OIXIXWBCJNWQHW-QGZVFWFLSA-N 1 2 328.391 1.606 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)C1=O ZINC000282122664 444092617 /nfs/dbraw/zinc/09/26/17/444092617.db2.gz XWRXUQAUDVLCNQ-FGTMMUONSA-N 1 2 330.428 1.598 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)C1=O ZINC000282122664 444092620 /nfs/dbraw/zinc/09/26/20/444092620.db2.gz XWRXUQAUDVLCNQ-FGTMMUONSA-N 1 2 330.428 1.598 20 30 EDEDLO COC(=O)c1ccc(N2CC[NH+](Cc3ccccn3)CC2)c(C#N)n1 ZINC000568561545 321296559 /nfs/dbraw/zinc/29/65/59/321296559.db2.gz XTCRGGOHGMSMNV-UHFFFAOYSA-N 1 2 337.383 1.457 20 30 EDEDLO Cn1ccc([C@@H]([NH2+]CCn2cnc(C#N)n2)c2ccc(F)cc2)n1 ZINC000571544726 321390979 /nfs/dbraw/zinc/39/09/79/321390979.db2.gz JSOCVGSMPVSSHE-INIZCTEOSA-N 1 2 325.351 1.402 20 30 EDEDLO C#CCCOc1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000294621904 444130359 /nfs/dbraw/zinc/13/03/59/444130359.db2.gz RQKNOWVNPYTPCG-UHFFFAOYSA-N 1 2 330.428 1.929 20 30 EDEDLO C#CCCOc1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000294621904 444130364 /nfs/dbraw/zinc/13/03/64/444130364.db2.gz RQKNOWVNPYTPCG-UHFFFAOYSA-N 1 2 330.428 1.929 20 30 EDEDLO C#CCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1 ZINC000285871904 444136906 /nfs/dbraw/zinc/13/69/06/444136906.db2.gz YFMAMCINEUEQND-UHFFFAOYSA-N 1 2 343.471 1.349 20 30 EDEDLO N#Cc1cccnc1NCc1ccc[nH+]c1N1CCC[C@@H](C(N)=O)C1 ZINC000301217142 444156074 /nfs/dbraw/zinc/15/60/74/444156074.db2.gz ZOMNDYHIKRGJPU-OAHLLOKOSA-N 1 2 336.399 1.662 20 30 EDEDLO N#Cc1cccc(NCC[NH+]2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000301260040 444158312 /nfs/dbraw/zinc/15/83/12/444158312.db2.gz FSFWHVKMBMOUDN-UHFFFAOYSA-N 1 2 327.432 1.700 20 30 EDEDLO C=CCOc1ccc(CC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000296241615 444215417 /nfs/dbraw/zinc/21/54/17/444215417.db2.gz XPCIJRCRTPNPFU-QZTJIDSGSA-N 1 2 330.428 1.725 20 30 EDEDLO C=CCOc1ccc(CC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000296241615 444215419 /nfs/dbraw/zinc/21/54/19/444215419.db2.gz XPCIJRCRTPNPFU-QZTJIDSGSA-N 1 2 330.428 1.725 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@H+]2CCOC[C@@H](O)C2)c2ccccc21 ZINC000295478949 444185763 /nfs/dbraw/zinc/18/57/63/444185763.db2.gz GLVIYTVOEYTIJX-AWEZNQCLSA-N 1 2 327.384 1.431 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCOC[C@@H](O)C2)c2ccccc21 ZINC000295478949 444185766 /nfs/dbraw/zinc/18/57/66/444185766.db2.gz GLVIYTVOEYTIJX-AWEZNQCLSA-N 1 2 327.384 1.431 20 30 EDEDLO N#Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)nc2ccc(Cl)cc12 ZINC000301709999 444186574 /nfs/dbraw/zinc/18/65/74/444186574.db2.gz DFTRCYJBZVHZPO-CQSZACIVSA-N 1 2 346.818 1.865 20 30 EDEDLO Cc1nc(CN2CCCN(c3cc(C)[nH+]c(C)c3C#N)CC2)no1 ZINC000301799188 444191177 /nfs/dbraw/zinc/19/11/77/444191177.db2.gz VCNKKBCEDJNUGL-UHFFFAOYSA-N 1 2 326.404 1.974 20 30 EDEDLO COc1cccc([C@@H](C)[NH+]2CCN(S(=O)(=O)CCC#N)CC2)c1 ZINC000295668713 444191346 /nfs/dbraw/zinc/19/13/46/444191346.db2.gz IZBQTUVPVBZJKD-CQSZACIVSA-N 1 2 337.445 1.617 20 30 EDEDLO CCOC1CC(CNc2ccc(C)c(C#N)n2)([NH+]2CCOCC2)C1 ZINC000302833165 444226522 /nfs/dbraw/zinc/22/65/22/444226522.db2.gz SBKFOPLINUBSTA-UHFFFAOYSA-N 1 2 330.432 1.944 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000577468771 321654309 /nfs/dbraw/zinc/65/43/09/321654309.db2.gz RYPDCUJIALGPGJ-DQEVTTJGSA-N 1 2 339.439 1.983 20 30 EDEDLO C#Cc1ccccc1CC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000290607921 444300791 /nfs/dbraw/zinc/30/07/91/444300791.db2.gz BHDAWBLBFITSMK-LJQANCHMSA-N 1 2 326.440 1.780 20 30 EDEDLO C#Cc1ccccc1CC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000290607921 444300793 /nfs/dbraw/zinc/30/07/93/444300793.db2.gz BHDAWBLBFITSMK-LJQANCHMSA-N 1 2 326.440 1.780 20 30 EDEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000328838283 444370185 /nfs/dbraw/zinc/37/01/85/444370185.db2.gz YEYANEQPGUMTOB-HRCADAONSA-N 1 2 330.432 1.933 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340211352 444371185 /nfs/dbraw/zinc/37/11/85/444371185.db2.gz VSOCCBPULILRAS-XBFCOCLRSA-N 1 2 335.370 1.819 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340211352 444371188 /nfs/dbraw/zinc/37/11/88/444371188.db2.gz VSOCCBPULILRAS-XBFCOCLRSA-N 1 2 335.370 1.819 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@H]1CCNC1=O ZINC000340222048 444372041 /nfs/dbraw/zinc/37/20/41/444372041.db2.gz UAWCDXIVBDJFCZ-WFASDCNBSA-N 1 2 332.379 1.281 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@H]1CCNC1=O ZINC000340222048 444372043 /nfs/dbraw/zinc/37/20/43/444372043.db2.gz UAWCDXIVBDJFCZ-WFASDCNBSA-N 1 2 332.379 1.281 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000297808142 444336954 /nfs/dbraw/zinc/33/69/54/444336954.db2.gz KRNXJFFZHAOCPD-KRWDZBQOSA-N 1 2 329.444 1.926 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000297808142 444336955 /nfs/dbraw/zinc/33/69/55/444336955.db2.gz KRNXJFFZHAOCPD-KRWDZBQOSA-N 1 2 329.444 1.926 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000340512606 444420128 /nfs/dbraw/zinc/42/01/28/444420128.db2.gz UDZVBUOXWINCMD-ZBFHGGJFSA-N 1 2 346.431 1.097 20 30 EDEDLO C[C@]1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCC(=O)NC1 ZINC000328674234 444425236 /nfs/dbraw/zinc/42/52/36/444425236.db2.gz PVHLLVLEYXFNIG-HOTGVXAUSA-N 1 2 341.477 1.907 20 30 EDEDLO C[C@@H]1C[C@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC1=O ZINC000328893779 444391113 /nfs/dbraw/zinc/39/11/13/444391113.db2.gz AKJZLMFWBPWCMV-ZIAGYGMSSA-N 1 2 334.420 1.809 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N2CCSCC2)CC1 ZINC000329023633 444448896 /nfs/dbraw/zinc/44/88/96/444448896.db2.gz UMKRUGLZGFLNGB-GFCCVEGCSA-N 1 2 326.466 1.280 20 30 EDEDLO C[C@H](C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)[NH+]1CCN(C)CC1 ZINC000328758189 444451130 /nfs/dbraw/zinc/45/11/30/444451130.db2.gz VNGUWPCIJFXPAC-GDBMZVCRSA-N 1 2 336.480 1.227 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](c3cccnc3)C3CC3)C[C@@H]21 ZINC000328967961 444428010 /nfs/dbraw/zinc/42/80/10/444428010.db2.gz AELPBAIJNLVWBO-BBWFWOEESA-N 1 2 330.432 1.852 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](c3cccnc3)C3CC3)C[C@@H]21 ZINC000328967961 444428014 /nfs/dbraw/zinc/42/80/14/444428014.db2.gz AELPBAIJNLVWBO-BBWFWOEESA-N 1 2 330.432 1.852 20 30 EDEDLO Cc1[nH+]ccn1C[C@@H](C)CNC([O-])=[NH+]C1CCN(C(=O)C2CC2)CC1 ZINC000328681884 444428030 /nfs/dbraw/zinc/42/80/30/444428030.db2.gz OKRGWRZJVPYYCX-ZDUSSCGKSA-N 1 2 347.463 1.732 20 30 EDEDLO Cc1[nH+]ccn1C[C@@H](C)C[NH+]=C([O-])NC1CCN(C(=O)C2CC2)CC1 ZINC000328681884 444428033 /nfs/dbraw/zinc/42/80/33/444428033.db2.gz OKRGWRZJVPYYCX-ZDUSSCGKSA-N 1 2 347.463 1.732 20 30 EDEDLO Cc1noc([C@H]2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C2)n1 ZINC000328976274 444431923 /nfs/dbraw/zinc/43/19/23/444431923.db2.gz QEHJOOGZVNUOBS-ZDUSSCGKSA-N 1 2 337.424 1.192 20 30 EDEDLO O=C(C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1)NC(=O)NC1CC1 ZINC000329178350 444493071 /nfs/dbraw/zinc/49/30/71/444493071.db2.gz NCWXGNHYIYUDFO-LBPRGKRZSA-N 1 2 340.449 1.059 20 30 EDEDLO O=C(C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1)NC(=O)NC1CC1 ZINC000329178350 444493076 /nfs/dbraw/zinc/49/30/76/444493076.db2.gz NCWXGNHYIYUDFO-LBPRGKRZSA-N 1 2 340.449 1.059 20 30 EDEDLO COc1cnc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)s1 ZINC000329226146 444506351 /nfs/dbraw/zinc/50/63/51/444506351.db2.gz ACZUTCNKYMRYLX-WDEREUQCSA-N 1 2 326.422 1.350 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)CCC2 ZINC000329242870 444510570 /nfs/dbraw/zinc/51/05/70/444510570.db2.gz SNGBLDVDSGXELR-XHSDSOJGSA-N 1 2 348.447 1.863 20 30 EDEDLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC000329272446 444518157 /nfs/dbraw/zinc/51/81/57/444518157.db2.gz INHBGYQUUNKFHP-UHFFFAOYSA-N 1 2 329.404 1.386 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)CCC[NH+]2CCCC2)cc1C#N ZINC000343748393 444563319 /nfs/dbraw/zinc/56/33/19/444563319.db2.gz LJXHXBWKJFNNLQ-UHFFFAOYSA-N 1 2 334.445 1.939 20 30 EDEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)NC1CCCCC1 ZINC000329415856 444570464 /nfs/dbraw/zinc/57/04/64/444570464.db2.gz CZASDJJPRKIIOU-UHFFFAOYSA-N 1 2 336.480 1.767 20 30 EDEDLO C[C@@H]1COCCN1CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329417018 444571541 /nfs/dbraw/zinc/57/15/41/444571541.db2.gz FXVBGAVRNYNVOK-GDBMZVCRSA-N 1 2 325.453 1.307 20 30 EDEDLO C[C@@H]1COCCN1CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329417018 444571543 /nfs/dbraw/zinc/57/15/43/444571543.db2.gz FXVBGAVRNYNVOK-GDBMZVCRSA-N 1 2 325.453 1.307 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1CC(=O)N(C3CC3)C1)CCC2 ZINC000329346183 444543217 /nfs/dbraw/zinc/54/32/17/444543217.db2.gz RENGOKCZDPUZRC-KBPBESRZSA-N 1 2 345.447 1.583 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1C#N ZINC000343781118 444587068 /nfs/dbraw/zinc/58/70/68/444587068.db2.gz BBPGWXOIUMGBEA-RNCFNFMXSA-N 1 2 332.429 1.593 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1C#N ZINC000343781118 444587069 /nfs/dbraw/zinc/58/70/69/444587069.db2.gz BBPGWXOIUMGBEA-RNCFNFMXSA-N 1 2 332.429 1.593 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC3(c4ccccn4)CCC3)C[C@@H]21 ZINC000329498026 444603898 /nfs/dbraw/zinc/60/38/98/444603898.db2.gz VEYMRPDNLPOYAH-LSDHHAIUSA-N 1 2 330.432 1.432 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCC3(c4ccccn4)CCC3)C[C@@H]21 ZINC000329498026 444603902 /nfs/dbraw/zinc/60/39/02/444603902.db2.gz VEYMRPDNLPOYAH-LSDHHAIUSA-N 1 2 330.432 1.432 20 30 EDEDLO CC(C)C(=O)N1CCC([NH+]=C([O-])NC[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329635820 444658605 /nfs/dbraw/zinc/65/86/05/444658605.db2.gz XVOVKVRETFCJJX-CQSZACIVSA-N 1 2 347.463 1.596 20 30 EDEDLO C[N@H+](CCc1ccccc1O)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343880222 444643213 /nfs/dbraw/zinc/64/32/13/444643213.db2.gz ZUPOAEUHNRZXDB-UHFFFAOYSA-N 1 2 345.424 1.607 20 30 EDEDLO C[N@@H+](CCc1ccccc1O)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343880222 444643217 /nfs/dbraw/zinc/64/32/17/444643217.db2.gz ZUPOAEUHNRZXDB-UHFFFAOYSA-N 1 2 345.424 1.607 20 30 EDEDLO Cc1nn(-c2ccccc2)cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329702240 444686263 /nfs/dbraw/zinc/68/62/63/444686263.db2.gz HZYMBCVKYWYOGT-IAGOWNOFSA-N 1 2 341.415 1.741 20 30 EDEDLO Cc1nn(-c2ccccc2)cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329702240 444686270 /nfs/dbraw/zinc/68/62/70/444686270.db2.gz HZYMBCVKYWYOGT-IAGOWNOFSA-N 1 2 341.415 1.741 20 30 EDEDLO N#C[C@@H]1N(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCC[C@]12CCCCO2 ZINC000329865921 444746352 /nfs/dbraw/zinc/74/63/52/444746352.db2.gz AQTGELYRDKXUCJ-QILLFSRXSA-N 1 2 328.416 1.899 20 30 EDEDLO CCN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329911904 444764421 /nfs/dbraw/zinc/76/44/21/444764421.db2.gz OBFYRXNSUMYFPB-RHSMWYFYSA-N 1 2 330.436 1.737 20 30 EDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000329925055 444771105 /nfs/dbraw/zinc/77/11/05/444771105.db2.gz VEYWYZGXPFDZIM-OAHLLOKOSA-N 1 2 335.448 1.456 20 30 EDEDLO COc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329945414 444780972 /nfs/dbraw/zinc/78/09/72/444780972.db2.gz FVLBYNBRWXKFNM-LXZKKBNFSA-N 1 2 333.432 1.555 20 30 EDEDLO COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329945414 444780974 /nfs/dbraw/zinc/78/09/74/444780974.db2.gz FVLBYNBRWXKFNM-LXZKKBNFSA-N 1 2 333.432 1.555 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1)n1cnc(C#N)n1 ZINC000336926644 444856576 /nfs/dbraw/zinc/85/65/76/444856576.db2.gz XLKISFVWZKLPBS-LLVKDONJSA-N 1 2 335.371 1.964 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1)n1cnc(C#N)n1 ZINC000336926648 444856730 /nfs/dbraw/zinc/85/67/30/444856730.db2.gz XLKISFVWZKLPBS-NSHDSACASA-N 1 2 335.371 1.964 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000336944572 444867156 /nfs/dbraw/zinc/86/71/56/444867156.db2.gz MPRSWAFMAMIJTL-UHFFFAOYSA-N 1 2 339.343 1.015 20 30 EDEDLO C[C@@H](C(=O)NCc1nnn(C)n1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000330248499 444906110 /nfs/dbraw/zinc/90/61/10/444906110.db2.gz MGBKWHZGOHBHPW-LBPRGKRZSA-N 1 2 347.398 1.016 20 30 EDEDLO O=C(Nc1ncn(C2CCCCC2)n1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330252354 444908144 /nfs/dbraw/zinc/90/81/44/444908144.db2.gz OGWXYHURIUGBCD-LBPRGKRZSA-N 1 2 329.408 2.321 20 30 EDEDLO CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000330414243 444971319 /nfs/dbraw/zinc/97/13/19/444971319.db2.gz WDAZHNAJLLYKJV-UBHSHLNASA-N 1 2 335.452 1.876 20 30 EDEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nccc(C#N)c2Cl)CC1 ZINC000341745549 444982896 /nfs/dbraw/zinc/98/28/96/444982896.db2.gz QNHLRCVRIBVVAJ-UHFFFAOYSA-N 1 2 349.866 1.987 20 30 EDEDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2nccc(C#N)c2Cl)CC1 ZINC000341745549 444982901 /nfs/dbraw/zinc/98/29/01/444982901.db2.gz QNHLRCVRIBVVAJ-UHFFFAOYSA-N 1 2 349.866 1.987 20 30 EDEDLO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000337501247 445107006 /nfs/dbraw/zinc/10/70/06/445107006.db2.gz KVQWGWQMVRMVGV-HNNXBMFYSA-N 1 2 331.416 1.191 20 30 EDEDLO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000337501247 445107011 /nfs/dbraw/zinc/10/70/11/445107011.db2.gz KVQWGWQMVRMVGV-HNNXBMFYSA-N 1 2 331.416 1.191 20 30 EDEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339699281 445162189 /nfs/dbraw/zinc/16/21/89/445162189.db2.gz CNSNGPLRNXSAEQ-CQSZACIVSA-N 1 2 333.388 1.830 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000339677035 445161284 /nfs/dbraw/zinc/16/12/84/445161284.db2.gz MSUGTGMBPADYNK-UHFFFAOYSA-N 1 2 328.416 1.886 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1[C@H](C(=O)NCCCC#N)CCC(=O)N1C1CC1 ZINC000343645985 445279718 /nfs/dbraw/zinc/27/97/18/445279718.db2.gz QSEKCPQUWMACKD-CJNGLKHVSA-N 1 2 329.404 1.282 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000362412020 445368391 /nfs/dbraw/zinc/36/83/91/445368391.db2.gz XKGRNPVRLSYMMV-QGZVFWFLSA-N 1 2 349.475 1.290 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000362412020 445368394 /nfs/dbraw/zinc/36/83/94/445368394.db2.gz XKGRNPVRLSYMMV-QGZVFWFLSA-N 1 2 349.475 1.290 20 30 EDEDLO CCCN1C(=O)CC[C@H](C(=O)N[C@H](C#N)CC)[C@@H]1c1c[nH+]cn1C ZINC000355461595 445462400 /nfs/dbraw/zinc/46/24/00/445462400.db2.gz VZJQYEFSLDMQNS-HEHGZKQESA-N 1 2 331.420 1.528 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000357257786 445511871 /nfs/dbraw/zinc/51/18/71/445511871.db2.gz CLZWTSQXFRJNBM-UHFFFAOYSA-N 1 2 332.360 1.542 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000357257786 445511872 /nfs/dbraw/zinc/51/18/72/445511872.db2.gz CLZWTSQXFRJNBM-UHFFFAOYSA-N 1 2 332.360 1.542 20 30 EDEDLO Cc1nc(NCc2cccc(C(=O)N3CCOC[C@H]3C#N)c2)cc[nH+]1 ZINC000349125323 445515662 /nfs/dbraw/zinc/51/56/62/445515662.db2.gz DOGMJFBFHYLYNX-MRXNPFEDSA-N 1 2 337.383 1.762 20 30 EDEDLO N#CC1(F)CC[NH+](CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000352450273 445530227 /nfs/dbraw/zinc/53/02/27/445530227.db2.gz QPJOTXPXGRFRCR-UHFFFAOYSA-N 1 2 325.334 1.951 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352463336 445530937 /nfs/dbraw/zinc/53/09/37/445530937.db2.gz JHZLTHGUWXFQHX-ZDUSSCGKSA-N 1 2 339.411 1.504 20 30 EDEDLO COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352459077 445531459 /nfs/dbraw/zinc/53/14/59/445531459.db2.gz STNOGRFGRZAGNZ-CYBMUJFWSA-N 1 2 347.390 1.806 20 30 EDEDLO CCOc1ccc(OCCNC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352489933 445533247 /nfs/dbraw/zinc/53/32/47/445533247.db2.gz FCIYCQSJJZKMGS-UHFFFAOYSA-N 1 2 349.406 1.908 20 30 EDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ncccn1 ZINC000352798036 445555997 /nfs/dbraw/zinc/55/59/97/445555997.db2.gz XBXBWFYEPVOPOR-ZDUSSCGKSA-N 1 2 330.388 1.967 20 30 EDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ncccn1 ZINC000352798036 445556001 /nfs/dbraw/zinc/55/60/01/445556001.db2.gz XBXBWFYEPVOPOR-ZDUSSCGKSA-N 1 2 330.388 1.967 20 30 EDEDLO Cc1cc(C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)ccc1C#N ZINC000362959998 445627593 /nfs/dbraw/zinc/62/75/93/445627593.db2.gz HWZRNSWGYJXIOW-HNNXBMFYSA-N 1 2 326.444 1.651 20 30 EDEDLO Cc1cc(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)ccc1C#N ZINC000362959998 445627601 /nfs/dbraw/zinc/62/76/01/445627601.db2.gz HWZRNSWGYJXIOW-HNNXBMFYSA-N 1 2 326.444 1.651 20 30 EDEDLO C#CC[N@@H+](CC(=O)NC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000362984659 445638542 /nfs/dbraw/zinc/63/85/42/445638542.db2.gz TWNDJUVRDDPLSL-CYBMUJFWSA-N 1 2 337.217 1.954 20 30 EDEDLO C#CC[N@H+](CC(=O)NC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000362984659 445638543 /nfs/dbraw/zinc/63/85/43/445638543.db2.gz TWNDJUVRDDPLSL-CYBMUJFWSA-N 1 2 337.217 1.954 20 30 EDEDLO C=C(C)COCCNC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000357923091 445593832 /nfs/dbraw/zinc/59/38/32/445593832.db2.gz GHUPKKDKSUDMMC-HNNXBMFYSA-N 1 2 333.436 1.285 20 30 EDEDLO C=C(C)COCCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000357923091 445593838 /nfs/dbraw/zinc/59/38/38/445593838.db2.gz GHUPKKDKSUDMMC-HNNXBMFYSA-N 1 2 333.436 1.285 20 30 EDEDLO CCCCN(CC)C(=O)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349856331 445700774 /nfs/dbraw/zinc/70/07/74/445700774.db2.gz RSQVICXRXNBUCG-UHFFFAOYSA-N 1 2 346.479 1.371 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OCC=C)cc2)CC1 ZINC000349761888 445670820 /nfs/dbraw/zinc/67/08/20/445670820.db2.gz AGQKPXNVLIKBRT-UHFFFAOYSA-N 1 2 329.444 1.671 20 30 EDEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000356398129 445771738 /nfs/dbraw/zinc/77/17/38/445771738.db2.gz QZWFXOJQYOXSCE-TZMCWYRMSA-N 1 2 346.435 1.849 20 30 EDEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000356398129 445771742 /nfs/dbraw/zinc/77/17/42/445771742.db2.gz QZWFXOJQYOXSCE-TZMCWYRMSA-N 1 2 346.435 1.849 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000361115455 445749834 /nfs/dbraw/zinc/74/98/34/445749834.db2.gz KUNMIQCUSIQDOX-HUUCEWRRSA-N 1 2 335.835 1.846 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000361115455 445749837 /nfs/dbraw/zinc/74/98/37/445749837.db2.gz KUNMIQCUSIQDOX-HUUCEWRRSA-N 1 2 335.835 1.846 20 30 EDEDLO CC(C)(C#N)c1ccc(C(=O)N(CCO)CC[NH+]2CCOCC2)cc1 ZINC000356482143 445814843 /nfs/dbraw/zinc/81/48/43/445814843.db2.gz DYQKAVLJUPOYLR-UHFFFAOYSA-N 1 2 345.443 1.254 20 30 EDEDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000365963346 445930674 /nfs/dbraw/zinc/93/06/74/445930674.db2.gz QAAUMOIXYGEAOJ-SWLSCSKDSA-N 1 2 337.420 1.945 20 30 EDEDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000365963346 445930679 /nfs/dbraw/zinc/93/06/79/445930679.db2.gz QAAUMOIXYGEAOJ-SWLSCSKDSA-N 1 2 337.420 1.945 20 30 EDEDLO N#C[C@H]1COCCN1C(=O)[C@@H]1CCn2c(c[nH+]c2-c2ccccc2)C1 ZINC000364036029 445892627 /nfs/dbraw/zinc/89/26/27/445892627.db2.gz RLVSEXSNXIYREN-WBVHZDCISA-N 1 2 336.395 1.863 20 30 EDEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000356632526 445898683 /nfs/dbraw/zinc/89/86/83/445898683.db2.gz ZNVAAIPRTZQPKX-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000356632526 445898689 /nfs/dbraw/zinc/89/86/89/445898689.db2.gz ZNVAAIPRTZQPKX-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO N#CC1(NC(=O)C[NH+]2CCC(NC(=O)c3cccs3)CC2)CCC1 ZINC000364750643 445950924 /nfs/dbraw/zinc/95/09/24/445950924.db2.gz UCKUFURXKWAWIM-UHFFFAOYSA-N 1 2 346.456 1.505 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NS(=O)(=O)c2cccc(C#N)c2)no1 ZINC000354236429 446032891 /nfs/dbraw/zinc/03/28/91/446032891.db2.gz ILKHKXLWZWJGGS-UHFFFAOYSA-N 1 2 349.416 1.216 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000583182440 326019095 /nfs/dbraw/zinc/01/90/95/326019095.db2.gz WMQDTBMRJBGJGO-UHFFFAOYSA-N 1 2 332.389 1.192 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000361966494 446114579 /nfs/dbraw/zinc/11/45/79/446114579.db2.gz YBQXXMBNKUCOMU-CYBMUJFWSA-N 1 2 346.412 1.619 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCN3C(=O)N(C)C(=O)[C@H]3C2)cc(OC)c1O ZINC000369418871 446120167 /nfs/dbraw/zinc/12/01/67/446120167.db2.gz PQQMIIMHPUZRGB-CQSZACIVSA-N 1 2 345.399 1.208 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCN3C(=O)N(C)C(=O)[C@H]3C2)cc(OC)c1O ZINC000369418871 446120175 /nfs/dbraw/zinc/12/01/75/446120175.db2.gz PQQMIIMHPUZRGB-CQSZACIVSA-N 1 2 345.399 1.208 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC000369796449 446155248 /nfs/dbraw/zinc/15/52/48/446155248.db2.gz NZIFDTBTYQUQQD-SJORKVTESA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC000369796449 446155255 /nfs/dbraw/zinc/15/52/55/446155255.db2.gz NZIFDTBTYQUQQD-SJORKVTESA-N 1 2 333.476 1.487 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366425836 446207773 /nfs/dbraw/zinc/20/77/73/446207773.db2.gz XWJWNGDQMOGKRH-HOCLYGCPSA-N 1 2 343.493 1.330 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366425836 446207779 /nfs/dbraw/zinc/20/77/79/446207779.db2.gz XWJWNGDQMOGKRH-HOCLYGCPSA-N 1 2 343.493 1.330 20 30 EDEDLO Cc1cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)ccc1C#N ZINC000365455836 446214823 /nfs/dbraw/zinc/21/48/23/446214823.db2.gz FIWRKLKBBOYRAM-CVEARBPZSA-N 1 2 349.456 1.398 20 30 EDEDLO Cc1cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)ccc1C#N ZINC000365455836 446214833 /nfs/dbraw/zinc/21/48/33/446214833.db2.gz FIWRKLKBBOYRAM-CVEARBPZSA-N 1 2 349.456 1.398 20 30 EDEDLO CC(C)n1ccnc1C[N@@H+]1CCCN(c2cnc(C#N)cn2)CC1 ZINC000373500642 446240145 /nfs/dbraw/zinc/24/01/45/446240145.db2.gz JMFKWSWHUFKDAE-UHFFFAOYSA-N 1 2 325.420 1.838 20 30 EDEDLO CC(C)n1ccnc1C[N@H+]1CCCN(c2cnc(C#N)cn2)CC1 ZINC000373500642 446240147 /nfs/dbraw/zinc/24/01/47/446240147.db2.gz JMFKWSWHUFKDAE-UHFFFAOYSA-N 1 2 325.420 1.838 20 30 EDEDLO Cc1cccc(S(=O)(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)c1C#N ZINC000365553259 446252160 /nfs/dbraw/zinc/25/21/60/446252160.db2.gz WPWZQFZNWYVOLE-AWEZNQCLSA-N 1 2 344.440 1.946 20 30 EDEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366552123 446258300 /nfs/dbraw/zinc/25/83/00/446258300.db2.gz KYUKCPRSUACDSJ-MRXNPFEDSA-N 1 2 343.427 1.649 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CCCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000370530949 446319978 /nfs/dbraw/zinc/31/99/78/446319978.db2.gz KAHKTGNABDKKQZ-UHFFFAOYSA-N 1 2 341.375 1.307 20 30 EDEDLO Cn1ccnc1C[N@H+]1CCCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000370530949 446319980 /nfs/dbraw/zinc/31/99/80/446319980.db2.gz KAHKTGNABDKKQZ-UHFFFAOYSA-N 1 2 341.375 1.307 20 30 EDEDLO Cn1cc[nH+]c1CN1CCCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000370530949 446319983 /nfs/dbraw/zinc/31/99/83/446319983.db2.gz KAHKTGNABDKKQZ-UHFFFAOYSA-N 1 2 341.375 1.307 20 30 EDEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000410714907 446337016 /nfs/dbraw/zinc/33/70/16/446337016.db2.gz NSTFGWZXDGSURP-UHFFFAOYSA-N 1 2 338.411 1.830 20 30 EDEDLO CC[N@H+](Cc1nnc(C)o1)[C@H]1CN(c2cccc(F)c2C#N)C[C@H]1O ZINC000370610120 446357134 /nfs/dbraw/zinc/35/71/34/446357134.db2.gz IUVYOGSXWYWMGJ-JKSUJKDBSA-N 1 2 345.378 1.460 20 30 EDEDLO CC[N@@H+](Cc1nnc(C)o1)[C@H]1CN(c2cccc(F)c2C#N)C[C@H]1O ZINC000370610120 446357138 /nfs/dbraw/zinc/35/71/38/446357138.db2.gz IUVYOGSXWYWMGJ-JKSUJKDBSA-N 1 2 345.378 1.460 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)o1 ZINC000376320129 446426928 /nfs/dbraw/zinc/42/69/28/446426928.db2.gz GUJTZKKEXDDQAR-LBPRGKRZSA-N 1 2 332.385 1.494 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1=O ZINC000367015380 446463481 /nfs/dbraw/zinc/46/34/81/446463481.db2.gz JICWWIXTNSCNFY-BZUAXINKSA-N 1 2 342.443 1.399 20 30 EDEDLO N#Cc1cccc(C(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1 ZINC000370881869 446497466 /nfs/dbraw/zinc/49/74/66/446497466.db2.gz RPPNDDMDMKQSMK-UHFFFAOYSA-N 1 2 326.400 1.114 20 30 EDEDLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)CC2(C#N)CCCC2)C[C@H](C)O1 ZINC000433350172 446559418 /nfs/dbraw/zinc/55/94/18/446559418.db2.gz DXWBQVIKKOQWKW-GASCZTMLSA-N 1 2 343.493 1.441 20 30 EDEDLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)CC2(C#N)CCCC2)C[C@H](C)O1 ZINC000433350172 446559421 /nfs/dbraw/zinc/55/94/21/446559421.db2.gz DXWBQVIKKOQWKW-GASCZTMLSA-N 1 2 343.493 1.441 20 30 EDEDLO N#Cc1cc(Br)ccc1CN1CC[N@@H+]2CCOC[C@H]2C1 ZINC000376506361 446542440 /nfs/dbraw/zinc/54/24/40/446542440.db2.gz KSIZTBGHOIBEMF-OAHLLOKOSA-N 1 2 336.233 1.837 20 30 EDEDLO N#Cc1cc(Br)ccc1CN1CC[N@H+]2CCOC[C@H]2C1 ZINC000376506361 446542448 /nfs/dbraw/zinc/54/24/48/446542448.db2.gz KSIZTBGHOIBEMF-OAHLLOKOSA-N 1 2 336.233 1.837 20 30 EDEDLO N#C[C@H]1C[N@@H+](Cc2cnc3cnccn23)C[C@]12C(=O)Nc1ccccc12 ZINC000376639694 446621226 /nfs/dbraw/zinc/62/12/26/446621226.db2.gz CYXZADXQOPMPET-DJJJIMSYSA-N 1 2 344.378 1.575 20 30 EDEDLO N#C[C@H]1C[N@H+](Cc2cnc3cnccn23)C[C@]12C(=O)Nc1ccccc12 ZINC000376639694 446621239 /nfs/dbraw/zinc/62/12/39/446621239.db2.gz CYXZADXQOPMPET-DJJJIMSYSA-N 1 2 344.378 1.575 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000368188508 446695982 /nfs/dbraw/zinc/69/59/82/446695982.db2.gz YHBZSIBIOXNZLZ-HNNXBMFYSA-N 1 2 332.379 1.360 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000368188508 446695989 /nfs/dbraw/zinc/69/59/89/446695989.db2.gz YHBZSIBIOXNZLZ-HNNXBMFYSA-N 1 2 332.379 1.360 20 30 EDEDLO C=CCOC[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)C(=O)OC ZINC000435945110 446717926 /nfs/dbraw/zinc/71/79/26/446717926.db2.gz UPCDSPDJJLTDFK-HOTGVXAUSA-N 1 2 332.400 1.121 20 30 EDEDLO C=CCOC[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)C(=O)OC ZINC000435945110 446717933 /nfs/dbraw/zinc/71/79/33/446717933.db2.gz UPCDSPDJJLTDFK-HOTGVXAUSA-N 1 2 332.400 1.121 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437589418 446754512 /nfs/dbraw/zinc/75/45/12/446754512.db2.gz KFLJRZSTTDKHQB-UHFFFAOYSA-N 1 2 345.472 1.558 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000437589418 446754518 /nfs/dbraw/zinc/75/45/18/446754518.db2.gz KFLJRZSTTDKHQB-UHFFFAOYSA-N 1 2 345.472 1.558 20 30 EDEDLO CC(C)n1cc(C#N)c(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)n1 ZINC000375454363 446810169 /nfs/dbraw/zinc/81/01/69/446810169.db2.gz VKJPFBBRCDSQIP-UKRRQHHQSA-N 1 2 338.415 2.442 20 30 EDEDLO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000441863797 446878911 /nfs/dbraw/zinc/87/89/11/446878911.db2.gz HLPFTTKWHQVSDP-UHFFFAOYSA-N 1 2 329.356 1.879 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1)C1(C#N)CCCCC1 ZINC000375570191 446898034 /nfs/dbraw/zinc/89/80/34/446898034.db2.gz JUJHNBLBCZESOQ-QGZVFWFLSA-N 1 2 334.420 1.246 20 30 EDEDLO CN(C(=O)C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1)C1(C#N)CCCCC1 ZINC000375570191 446898044 /nfs/dbraw/zinc/89/80/44/446898044.db2.gz JUJHNBLBCZESOQ-QGZVFWFLSA-N 1 2 334.420 1.246 20 30 EDEDLO C=CCCn1cc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)nn1 ZINC000424575171 446898750 /nfs/dbraw/zinc/89/87/50/446898750.db2.gz REXBKLSJILSJKQ-UHFFFAOYSA-N 1 2 342.403 1.016 20 30 EDEDLO N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443010550 446996378 /nfs/dbraw/zinc/99/63/78/446996378.db2.gz FNCVFWHIIXOUCP-ZFWWWQNUSA-N 1 2 330.413 1.902 20 30 EDEDLO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368641992 447001004 /nfs/dbraw/zinc/00/10/04/447001004.db2.gz IXNPEBPGDCSJOV-QGZVFWFLSA-N 1 2 328.416 1.563 20 30 EDEDLO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368641992 447001010 /nfs/dbraw/zinc/00/10/10/447001010.db2.gz IXNPEBPGDCSJOV-QGZVFWFLSA-N 1 2 328.416 1.563 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000455284749 447102859 /nfs/dbraw/zinc/10/28/59/447102859.db2.gz RXZBVDUXJNVXEH-YCPHGPKFSA-N 1 2 347.463 1.063 20 30 EDEDLO CCn1cc[nH+]c1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000455288659 447103998 /nfs/dbraw/zinc/10/39/98/447103998.db2.gz ABYNCSIDGZROOC-UHFFFAOYSA-N 1 2 339.403 1.201 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(c2noc(C3CC3)n2)CC1)C1CC1 ZINC000368833017 447143028 /nfs/dbraw/zinc/14/30/28/447143028.db2.gz GKZRYWWDUFKXFV-SFHVURJKSA-N 1 2 343.431 1.935 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(Cc3cc(C#N)ccc3Br)C[C@@H]21 ZINC000377672407 447286450 /nfs/dbraw/zinc/28/64/50/447286450.db2.gz QJQGCOJMSAZDSH-LSDHHAIUSA-N 1 2 336.233 1.836 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(Cc3cc(C#N)ccc3Br)C[C@@H]21 ZINC000377672407 447286451 /nfs/dbraw/zinc/28/64/51/447286451.db2.gz QJQGCOJMSAZDSH-LSDHHAIUSA-N 1 2 336.233 1.836 20 30 EDEDLO CN1CCO[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Br)C[C@@H]21 ZINC000377672407 447286454 /nfs/dbraw/zinc/28/64/54/447286454.db2.gz QJQGCOJMSAZDSH-LSDHHAIUSA-N 1 2 336.233 1.836 20 30 EDEDLO CN1CCO[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3Br)C[C@@H]21 ZINC000377672407 447286456 /nfs/dbraw/zinc/28/64/56/447286456.db2.gz QJQGCOJMSAZDSH-LSDHHAIUSA-N 1 2 336.233 1.836 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnnn1Cc1ccccc1 ZINC000414103846 447274772 /nfs/dbraw/zinc/27/47/72/447274772.db2.gz DWKFIUMYULTHEE-AWEZNQCLSA-N 1 2 332.433 1.020 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnnn1Cc1ccccc1 ZINC000414103846 447274775 /nfs/dbraw/zinc/27/47/75/447274775.db2.gz DWKFIUMYULTHEE-AWEZNQCLSA-N 1 2 332.433 1.020 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(Cc2ccccc2)[nH]1 ZINC000414121500 447276744 /nfs/dbraw/zinc/27/67/44/447276744.db2.gz HCJAHGGHLJEYLR-CQSZACIVSA-N 1 2 331.445 1.694 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(Cc2ccccc2)[nH]1 ZINC000414121500 447276751 /nfs/dbraw/zinc/27/67/51/447276751.db2.gz HCJAHGGHLJEYLR-CQSZACIVSA-N 1 2 331.445 1.694 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc(Cc2ccccc2)n[nH]1 ZINC000414121500 447276757 /nfs/dbraw/zinc/27/67/57/447276757.db2.gz HCJAHGGHLJEYLR-CQSZACIVSA-N 1 2 331.445 1.694 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc(Cc2ccccc2)n[nH]1 ZINC000414121500 447276762 /nfs/dbraw/zinc/27/67/62/447276762.db2.gz HCJAHGGHLJEYLR-CQSZACIVSA-N 1 2 331.445 1.694 20 30 EDEDLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nccc(C#N)n1 ZINC000450319416 447453794 /nfs/dbraw/zinc/45/37/94/447453794.db2.gz LQVQVENITOYFBQ-CQSZACIVSA-N 1 2 329.429 1.919 20 30 EDEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000495620351 447526984 /nfs/dbraw/zinc/52/69/84/447526984.db2.gz ZYSMHNJJJGDZQX-WMLDXEAASA-N 1 2 336.436 1.348 20 30 EDEDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000495620351 447526987 /nfs/dbraw/zinc/52/69/87/447526987.db2.gz ZYSMHNJJJGDZQX-WMLDXEAASA-N 1 2 336.436 1.348 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2c(C#N)nnc3ccccc32)C1 ZINC000450537987 447519608 /nfs/dbraw/zinc/51/96/08/447519608.db2.gz GFGVDXCUTWQTBY-CYBMUJFWSA-N 1 2 339.399 1.798 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2c(C#N)nnc3ccccc32)C1 ZINC000450537987 447519611 /nfs/dbraw/zinc/51/96/11/447519611.db2.gz GFGVDXCUTWQTBY-CYBMUJFWSA-N 1 2 339.399 1.798 20 30 EDEDLO Cc1c(Cl)cncc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000457513361 447584858 /nfs/dbraw/zinc/58/48/58/447584858.db2.gz TVGLLHPNEMWGAZ-UHFFFAOYSA-N 1 2 336.823 1.732 20 30 EDEDLO Cc1cc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)ncc1C#N ZINC000457521428 447587258 /nfs/dbraw/zinc/58/72/58/447587258.db2.gz JOAHPECLCACQDK-UHFFFAOYSA-N 1 2 340.387 1.043 20 30 EDEDLO C=CC[C@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000416196019 447536229 /nfs/dbraw/zinc/53/62/29/447536229.db2.gz GLRLHKLENXCOCI-CYBMUJFWSA-N 1 2 325.412 1.890 20 30 EDEDLO C=CC[C@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000416196019 447536235 /nfs/dbraw/zinc/53/62/35/447536235.db2.gz GLRLHKLENXCOCI-CYBMUJFWSA-N 1 2 325.412 1.890 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000457670306 447613703 /nfs/dbraw/zinc/61/37/03/447613703.db2.gz XLHBJYJEUSLUJL-ZBFHGGJFSA-N 1 2 348.447 1.433 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000416478757 447618390 /nfs/dbraw/zinc/61/83/90/447618390.db2.gz DMBGUVJDQOYSHW-KBMXLJTQSA-N 1 2 337.445 1.232 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000416478757 447618395 /nfs/dbraw/zinc/61/83/95/447618395.db2.gz DMBGUVJDQOYSHW-KBMXLJTQSA-N 1 2 337.445 1.232 20 30 EDEDLO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c1=S ZINC000495931520 447652678 /nfs/dbraw/zinc/65/26/78/447652678.db2.gz GFRKLTFUIOFJLE-CYBMUJFWSA-N 1 2 337.449 1.640 20 30 EDEDLO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c1=S ZINC000495931520 447652683 /nfs/dbraw/zinc/65/26/83/447652683.db2.gz GFRKLTFUIOFJLE-CYBMUJFWSA-N 1 2 337.449 1.640 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1)C1CC1 ZINC000451275419 447721449 /nfs/dbraw/zinc/72/14/49/447721449.db2.gz YIGOTXZMZMJSJU-BHIYHBOVSA-N 1 2 345.418 1.595 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1)C1CC1 ZINC000451275419 447721455 /nfs/dbraw/zinc/72/14/55/447721455.db2.gz YIGOTXZMZMJSJU-BHIYHBOVSA-N 1 2 345.418 1.595 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459642849 447729156 /nfs/dbraw/zinc/72/91/56/447729156.db2.gz BWHFQCJRHACLCS-KRWDZBQOSA-N 1 2 336.457 1.722 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459642849 447729160 /nfs/dbraw/zinc/72/91/60/447729160.db2.gz BWHFQCJRHACLCS-KRWDZBQOSA-N 1 2 336.457 1.722 20 30 EDEDLO CCn1nccc1C[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000429724148 447756618 /nfs/dbraw/zinc/75/66/18/447756618.db2.gz MEJZDTNEJHYSFF-QGZVFWFLSA-N 1 2 346.479 1.027 20 30 EDEDLO CCn1nccc1C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000429724148 447756623 /nfs/dbraw/zinc/75/66/23/447756623.db2.gz MEJZDTNEJHYSFF-QGZVFWFLSA-N 1 2 346.479 1.027 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000530335376 447862818 /nfs/dbraw/zinc/86/28/18/447862818.db2.gz MRJHRDBRHDEEKE-OAHLLOKOSA-N 1 2 327.432 1.150 20 30 EDEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000549275326 447870209 /nfs/dbraw/zinc/87/02/09/447870209.db2.gz ZUBDGMAIGOSKGZ-CQSZACIVSA-N 1 2 346.479 1.206 20 30 EDEDLO CCC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CC(=O)N(C)C1=O ZINC000549821509 447881421 /nfs/dbraw/zinc/88/14/21/447881421.db2.gz ZXFUFJSQRFOZQB-AWEZNQCLSA-N 1 2 325.372 1.175 20 30 EDEDLO CCC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CC(=O)N(C)C1=O ZINC000549821509 447881423 /nfs/dbraw/zinc/88/14/23/447881423.db2.gz ZXFUFJSQRFOZQB-AWEZNQCLSA-N 1 2 325.372 1.175 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CCC(C)C)n2C[C@H]2CCOC2)CC1 ZINC000491165023 447944648 /nfs/dbraw/zinc/94/46/48/447944648.db2.gz HUOUFVSARTXMEV-QGZVFWFLSA-N 1 2 345.491 1.658 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccnc(C(F)(F)F)c2)CC1 ZINC000491181072 447949366 /nfs/dbraw/zinc/94/93/66/447949366.db2.gz QATGHCCCKKNIMM-UHFFFAOYSA-N 1 2 327.306 1.257 20 30 EDEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)CC2(C#N)CCC2)C1 ZINC000570205117 447963093 /nfs/dbraw/zinc/96/30/93/447963093.db2.gz WRMDYSGKLNUVGZ-UHFFFAOYSA-N 1 2 333.457 1.826 20 30 EDEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)CC2(C#N)CCC2)C1 ZINC000570205117 447963099 /nfs/dbraw/zinc/96/30/99/447963099.db2.gz WRMDYSGKLNUVGZ-UHFFFAOYSA-N 1 2 333.457 1.826 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)CCC1 ZINC000576182249 447992476 /nfs/dbraw/zinc/99/24/76/447992476.db2.gz ZWZHZBIRQMLYSL-CYBMUJFWSA-N 1 2 332.379 1.626 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)CCC1 ZINC000576182249 447992482 /nfs/dbraw/zinc/99/24/82/447992482.db2.gz ZWZHZBIRQMLYSL-CYBMUJFWSA-N 1 2 332.379 1.626 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)cccc2Cl)CC1 ZINC000491253211 447973245 /nfs/dbraw/zinc/97/32/45/447973245.db2.gz MHVPMRNPHDFZIU-UHFFFAOYSA-N 1 2 347.846 1.546 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)cccc2Cl)CC1 ZINC000491253211 447973251 /nfs/dbraw/zinc/97/32/51/447973251.db2.gz MHVPMRNPHDFZIU-UHFFFAOYSA-N 1 2 347.846 1.546 20 30 EDEDLO Cn1cc([C@H]([NH2+]CC(=O)NC2(C#N)CCC2)c2ccc(F)cc2)cn1 ZINC000525876713 448045609 /nfs/dbraw/zinc/04/56/09/448045609.db2.gz XZKIKTNGOOIXDP-QGZVFWFLSA-N 1 2 341.390 1.801 20 30 EDEDLO C#CCN1C(=O)c2ccccc2NC12CC[NH+](CC(=O)OC)CC2 ZINC000491654204 448072449 /nfs/dbraw/zinc/07/24/49/448072449.db2.gz PHLCDWLZVYXKFK-UHFFFAOYSA-N 1 2 327.384 1.153 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O ZINC000491696840 448082196 /nfs/dbraw/zinc/08/21/96/448082196.db2.gz KAMMMOCXHGJPOQ-KGLIPLIRSA-N 1 2 336.436 1.254 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O ZINC000491696840 448082200 /nfs/dbraw/zinc/08/22/00/448082200.db2.gz KAMMMOCXHGJPOQ-KGLIPLIRSA-N 1 2 336.436 1.254 20 30 EDEDLO N#CCc1ccnc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000531670543 448126740 /nfs/dbraw/zinc/12/67/40/448126740.db2.gz UUIPHPMEBLNGSH-QGZVFWFLSA-N 1 2 336.395 1.987 20 30 EDEDLO N#CCc1ccnc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000531670543 448126745 /nfs/dbraw/zinc/12/67/45/448126745.db2.gz UUIPHPMEBLNGSH-QGZVFWFLSA-N 1 2 336.395 1.987 20 30 EDEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000527128077 448166522 /nfs/dbraw/zinc/16/65/22/448166522.db2.gz KSEJMYRIHLDINJ-CQSZACIVSA-N 1 2 332.404 1.445 20 30 EDEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000527128077 448166528 /nfs/dbraw/zinc/16/65/28/448166528.db2.gz KSEJMYRIHLDINJ-CQSZACIVSA-N 1 2 332.404 1.445 20 30 EDEDLO C[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000532763639 448308189 /nfs/dbraw/zinc/30/81/89/448308189.db2.gz PSFLFLYUHQYOMD-GOSISDBHSA-N 1 2 337.379 1.988 20 30 EDEDLO C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000532763639 448308193 /nfs/dbraw/zinc/30/81/93/448308193.db2.gz PSFLFLYUHQYOMD-GOSISDBHSA-N 1 2 337.379 1.988 20 30 EDEDLO C=CCC[C@H]1NC(=O)N(C[C@]2([NH+]3CCOCC3)CCSC2)C1=O ZINC000563648127 448310497 /nfs/dbraw/zinc/31/04/97/448310497.db2.gz KBKACPMHFSNMCJ-CZUORRHYSA-N 1 2 339.461 1.081 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000582782991 448338112 /nfs/dbraw/zinc/33/81/12/448338112.db2.gz QDSCXVBISYKISS-KBMXLJTQSA-N 1 2 325.478 1.637 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000582782991 448338116 /nfs/dbraw/zinc/33/81/16/448338116.db2.gz QDSCXVBISYKISS-KBMXLJTQSA-N 1 2 325.478 1.637 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CN1c2ccccc2SCC1=O ZINC000577694026 448357967 /nfs/dbraw/zinc/35/79/67/448357967.db2.gz YOZOFJCJBJNHJM-INIZCTEOSA-N 1 2 332.429 1.085 20 30 EDEDLO Cn1c[nH+]c(CCNC(=O)N2CCN(c3ccccc3C#N)CC2)c1 ZINC000583069684 448415819 /nfs/dbraw/zinc/41/58/19/448415819.db2.gz NACAQFLFDYICKX-UHFFFAOYSA-N 1 2 338.415 1.366 20 30 EDEDLO CC[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 ZINC000528376579 448504117 /nfs/dbraw/zinc/50/41/17/448504117.db2.gz BPIYUWUKFKSBPV-CABCVRRESA-N 1 2 326.396 1.785 20 30 EDEDLO CC[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 ZINC000528376579 448504120 /nfs/dbraw/zinc/50/41/20/448504120.db2.gz BPIYUWUKFKSBPV-CABCVRRESA-N 1 2 326.396 1.785 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000573141309 448554808 /nfs/dbraw/zinc/55/48/08/448554808.db2.gz AVZFDFCCCBIEDV-OAHLLOKOSA-N 1 2 330.432 1.243 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000573141309 448554814 /nfs/dbraw/zinc/55/48/14/448554814.db2.gz AVZFDFCCCBIEDV-OAHLLOKOSA-N 1 2 330.432 1.243 20 30 EDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000566957898 448591089 /nfs/dbraw/zinc/59/10/89/448591089.db2.gz VFKHRKPFVDPRKS-KURKYZTESA-N 1 2 338.411 1.220 20 30 EDEDLO N#Cc1ccc(C[C@H](C#N)C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000566957898 448591092 /nfs/dbraw/zinc/59/10/92/448591092.db2.gz VFKHRKPFVDPRKS-KURKYZTESA-N 1 2 338.411 1.220 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592067496 448657831 /nfs/dbraw/zinc/65/78/31/448657831.db2.gz WTJHMCPLPFIAGS-OAHLLOKOSA-N 1 2 341.459 1.518 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000573448585 448631442 /nfs/dbraw/zinc/63/14/42/448631442.db2.gz INEAXHGKSWCQHM-GLJUWKHASA-N 1 2 329.400 1.521 20 30 EDEDLO COc1ccc([C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)NC(C)=O)cc1 ZINC000579013825 448696599 /nfs/dbraw/zinc/69/65/99/448696599.db2.gz INCGGDQJKDEPNV-FUHWJXTLSA-N 1 2 346.431 1.223 20 30 EDEDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1OCC ZINC000592144986 448706272 /nfs/dbraw/zinc/70/62/72/448706272.db2.gz LMCHQHQZRYMMIZ-GOSISDBHSA-N 1 2 347.415 1.773 20 30 EDEDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1OCC ZINC000592144986 448706278 /nfs/dbraw/zinc/70/62/78/448706278.db2.gz LMCHQHQZRYMMIZ-GOSISDBHSA-N 1 2 347.415 1.773 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000592149082 448708222 /nfs/dbraw/zinc/70/82/22/448708222.db2.gz IOCDJSIVRGOARX-KRWDZBQOSA-N 1 2 335.379 1.061 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000592149082 448708230 /nfs/dbraw/zinc/70/82/30/448708230.db2.gz IOCDJSIVRGOARX-KRWDZBQOSA-N 1 2 335.379 1.061 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148976 448708487 /nfs/dbraw/zinc/70/84/87/448708487.db2.gz GGIVIJRNKHQADN-QZOMQWOVSA-N 1 2 332.448 1.656 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148976 448708492 /nfs/dbraw/zinc/70/84/92/448708492.db2.gz GGIVIJRNKHQADN-QZOMQWOVSA-N 1 2 332.448 1.656 20 30 EDEDLO CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592150355 448711837 /nfs/dbraw/zinc/71/18/37/448711837.db2.gz FAUVLINBVGNSES-IBGZPJMESA-N 1 2 345.443 1.483 20 30 EDEDLO CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592150355 448711842 /nfs/dbraw/zinc/71/18/42/448711842.db2.gz FAUVLINBVGNSES-IBGZPJMESA-N 1 2 345.443 1.483 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152408 448713480 /nfs/dbraw/zinc/71/34/80/448713480.db2.gz XETOEGNCHCTMIL-KSSFIOAISA-N 1 2 344.390 1.811 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152408 448713482 /nfs/dbraw/zinc/71/34/82/448713482.db2.gz XETOEGNCHCTMIL-KSSFIOAISA-N 1 2 344.390 1.811 20 30 EDEDLO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592094667 448680156 /nfs/dbraw/zinc/68/01/56/448680156.db2.gz SGBJDWXOJGPEQE-LBPRGKRZSA-N 1 2 330.413 1.712 20 30 EDEDLO N#CCCC1CC[NH+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 ZINC000567791079 448761788 /nfs/dbraw/zinc/76/17/88/448761788.db2.gz GOQVQADHFMDSAB-UHFFFAOYSA-N 1 2 345.403 1.064 20 30 EDEDLO N#Cc1cc(F)cc(C2(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)CC2)c1 ZINC000586796811 448813763 /nfs/dbraw/zinc/81/37/63/448813763.db2.gz BFJUCJHTSUDNGS-KRWDZBQOSA-N 1 2 343.402 1.662 20 30 EDEDLO COCc1ccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1C#N ZINC000529206387 448789064 /nfs/dbraw/zinc/78/90/64/448789064.db2.gz VVRCTOXMQQXTHC-DLBZAZTESA-N 1 2 344.415 1.641 20 30 EDEDLO COCc1ccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1C#N ZINC000529206387 448789069 /nfs/dbraw/zinc/78/90/69/448789069.db2.gz VVRCTOXMQQXTHC-DLBZAZTESA-N 1 2 344.415 1.641 20 30 EDEDLO COCCOc1cc2c(cc1C[N@@H+]1CC[C@](O)(CC#N)C1)OCO2 ZINC000592522391 448876317 /nfs/dbraw/zinc/87/63/17/448876317.db2.gz MYPJWQZFYDXRHP-QGZVFWFLSA-N 1 2 334.372 1.291 20 30 EDEDLO COCCOc1cc2c(cc1C[N@H+]1CC[C@](O)(CC#N)C1)OCO2 ZINC000592522391 448876322 /nfs/dbraw/zinc/87/63/22/448876322.db2.gz MYPJWQZFYDXRHP-QGZVFWFLSA-N 1 2 334.372 1.291 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000568663358 448904177 /nfs/dbraw/zinc/90/41/77/448904177.db2.gz ABKSJLNEOYYFQJ-OAHLLOKOSA-N 1 2 347.463 1.478 20 30 EDEDLO N#C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CCc2ccccc2C1 ZINC000547781075 448927177 /nfs/dbraw/zinc/92/71/77/448927177.db2.gz PLCKYYDOMLUGGB-LJQANCHMSA-N 1 2 344.378 1.843 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](CNC(=O)NC)C2)c(O)c(OC)c1 ZINC000530102075 449050448 /nfs/dbraw/zinc/05/04/48/449050448.db2.gz DKOVWDYXWSSHQH-OAHLLOKOSA-N 1 2 349.431 1.259 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCO[C@H](CNC(=O)NC)C2)c(O)c(OC)c1 ZINC000530102075 449050452 /nfs/dbraw/zinc/05/04/52/449050452.db2.gz DKOVWDYXWSSHQH-OAHLLOKOSA-N 1 2 349.431 1.259 20 30 EDEDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000593017838 449103578 /nfs/dbraw/zinc/10/35/78/449103578.db2.gz FZXNURWRYDOPJQ-UHFFFAOYSA-N 1 2 332.360 1.413 20 30 EDEDLO C=CCn1c(C2CCCC2)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000548851003 449104924 /nfs/dbraw/zinc/10/49/24/449104924.db2.gz IZTLMEPMIMSZKR-UHFFFAOYSA-N 1 2 346.479 1.380 20 30 EDEDLO COC(=O)C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CCCCC1 ZINC000595663138 449105392 /nfs/dbraw/zinc/10/53/92/449105392.db2.gz HQXLJUFWUGPMGD-UHFFFAOYSA-N 1 2 334.420 1.450 20 30 EDEDLO COC(=O)C[N@@H+](CC(=O)N(CCC#N)CCC#N)C1CCCCC1 ZINC000595663138 449105399 /nfs/dbraw/zinc/10/53/99/449105399.db2.gz HQXLJUFWUGPMGD-UHFFFAOYSA-N 1 2 334.420 1.450 20 30 EDEDLO COC(=O)C12CC(C1)C[N@@H+]2C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595676260 449114730 /nfs/dbraw/zinc/11/47/30/449114730.db2.gz RFTOQJNNCJBDBX-CSLYMUCUSA-N 1 2 330.384 1.130 20 30 EDEDLO COC(=O)C12CC(C1)C[N@H+]2C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595676260 449114732 /nfs/dbraw/zinc/11/47/32/449114732.db2.gz RFTOQJNNCJBDBX-CSLYMUCUSA-N 1 2 330.384 1.130 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)c(O)c1)C(C)(C)CO ZINC000597844995 449119535 /nfs/dbraw/zinc/11/95/35/449119535.db2.gz DQXKTBSBWODFEQ-CQSZACIVSA-N 1 2 328.372 1.487 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(C(=O)OC(C)(C)C)cn1 ZINC000593153343 449154033 /nfs/dbraw/zinc/15/40/33/449154033.db2.gz LDOUFBRJNRVGIS-KRWDZBQOSA-N 1 2 332.404 1.611 20 30 EDEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000593155642 449154702 /nfs/dbraw/zinc/15/47/02/449154702.db2.gz NAQOGQLZNLYDTJ-KRWDZBQOSA-N 1 2 329.379 1.894 20 30 EDEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C[C@@H]1COCCO1 ZINC000595739244 449141028 /nfs/dbraw/zinc/14/10/28/449141028.db2.gz YOFVSBMDZICWFQ-CYBMUJFWSA-N 1 2 335.429 1.588 20 30 EDEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)C[C@@H]1COCCO1 ZINC000595739244 449141029 /nfs/dbraw/zinc/14/10/29/449141029.db2.gz YOFVSBMDZICWFQ-CYBMUJFWSA-N 1 2 335.429 1.588 20 30 EDEDLO CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835501 449197773 /nfs/dbraw/zinc/19/77/73/449197773.db2.gz RXIQOHUGDSOYCO-QAPCUYQASA-N 1 2 332.400 1.839 20 30 EDEDLO CCOC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835501 449197780 /nfs/dbraw/zinc/19/77/80/449197780.db2.gz RXIQOHUGDSOYCO-QAPCUYQASA-N 1 2 332.400 1.839 20 30 EDEDLO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCN(CCC#N)CC1 ZINC000611174705 449200541 /nfs/dbraw/zinc/20/05/41/449200541.db2.gz PASRBNVRCFQVLM-DOTOQJQBSA-N 1 2 342.443 1.546 20 30 EDEDLO N#CCCN1CC[NH+](CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000611175041 449200690 /nfs/dbraw/zinc/20/06/90/449200690.db2.gz RPNIOUJWGXALPG-UHFFFAOYSA-N 1 2 326.444 1.366 20 30 EDEDLO COc1ccc(CCNC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000595839760 449201355 /nfs/dbraw/zinc/20/13/55/449201355.db2.gz KWDCVYFFSPKLGE-KUHUBIRLSA-N 1 2 345.443 1.987 20 30 EDEDLO COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000595839760 449201357 /nfs/dbraw/zinc/20/13/57/449201357.db2.gz KWDCVYFFSPKLGE-KUHUBIRLSA-N 1 2 345.443 1.987 20 30 EDEDLO N#CC1(C(=O)N2CC[NH+](CCc3cnccn3)CC2)CCCCC1 ZINC000601892224 449208294 /nfs/dbraw/zinc/20/82/94/449208294.db2.gz FAMXHXAKSRGMHT-UHFFFAOYSA-N 1 2 327.432 1.637 20 30 EDEDLO CN(C)C(=O)CN1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000611253075 449239450 /nfs/dbraw/zinc/23/94/50/449239450.db2.gz LAZPOLORSSYIHF-UHFFFAOYSA-N 1 2 344.459 1.575 20 30 EDEDLO CN(C)C(=O)C[NH+]1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000611253075 449239452 /nfs/dbraw/zinc/23/94/52/449239452.db2.gz LAZPOLORSSYIHF-UHFFFAOYSA-N 1 2 344.459 1.575 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595901870 449241383 /nfs/dbraw/zinc/24/13/83/449241383.db2.gz BFPVLBUOOKBJLV-SFHVURJKSA-N 1 2 328.416 1.198 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595901870 449241388 /nfs/dbraw/zinc/24/13/88/449241388.db2.gz BFPVLBUOOKBJLV-SFHVURJKSA-N 1 2 328.416 1.198 20 30 EDEDLO COC(=O)c1cccc(C[N@H+](C)[C@H]2CCCCN(C)C2=O)c1C#N ZINC000601972466 449254582 /nfs/dbraw/zinc/25/45/82/449254582.db2.gz ZYDVMCZYNKQQJT-INIZCTEOSA-N 1 2 329.400 1.788 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+](C)[C@H]2CCCCN(C)C2=O)c1C#N ZINC000601972466 449254589 /nfs/dbraw/zinc/25/45/89/449254589.db2.gz ZYDVMCZYNKQQJT-INIZCTEOSA-N 1 2 329.400 1.788 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000600231763 449256383 /nfs/dbraw/zinc/25/63/83/449256383.db2.gz GGZPXERQYQLVSK-RTBURBONSA-N 1 2 347.459 1.192 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000600231763 449256390 /nfs/dbraw/zinc/25/63/90/449256390.db2.gz GGZPXERQYQLVSK-RTBURBONSA-N 1 2 347.459 1.192 20 30 EDEDLO CSCC1(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000593443138 449286526 /nfs/dbraw/zinc/28/65/26/449286526.db2.gz LKJYORYKPPGXEJ-UHFFFAOYSA-N 1 2 325.478 1.594 20 30 EDEDLO COCCN(CCC#N)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000611488666 449306293 /nfs/dbraw/zinc/30/62/93/449306293.db2.gz ZSUKKKDNXOTLHP-UHFFFAOYSA-N 1 2 348.428 1.482 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1ccc(C#N)cc1)C(C)(C)CO ZINC000596125575 449375917 /nfs/dbraw/zinc/37/59/17/449375917.db2.gz BZZYXUPTYHEJRI-OAHLLOKOSA-N 1 2 341.415 1.851 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594036019 449332326 /nfs/dbraw/zinc/33/23/26/449332326.db2.gz ZKOAXFKYNLHFEJ-UHFFFAOYSA-N 1 2 341.314 1.452 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594036019 449332328 /nfs/dbraw/zinc/33/23/28/449332328.db2.gz ZKOAXFKYNLHFEJ-UHFFFAOYSA-N 1 2 341.314 1.452 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552766 449333860 /nfs/dbraw/zinc/33/38/60/449333860.db2.gz KMGQPLKOBRIMKK-VQIMIIECSA-N 1 2 346.450 1.729 20 30 EDEDLO Cc1ccc(C#N)nc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000596157279 449388596 /nfs/dbraw/zinc/38/85/96/449388596.db2.gz SAVUGWQONAAAGK-OAHLLOKOSA-N 1 2 327.432 1.395 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC(=O)N1CCCC1 ZINC000611909576 449469123 /nfs/dbraw/zinc/46/91/23/449469123.db2.gz LQYBLQWUXIJLQB-INIZCTEOSA-N 1 2 342.443 1.876 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC(=O)N1CCCC1 ZINC000611909576 449469125 /nfs/dbraw/zinc/46/91/25/449469125.db2.gz LQYBLQWUXIJLQB-INIZCTEOSA-N 1 2 342.443 1.876 20 30 EDEDLO C[C@](C#N)(NC(=O)C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21)C1CC1 ZINC000598643746 449514704 /nfs/dbraw/zinc/51/47/04/449514704.db2.gz GTSUUQGXUCDTBL-NVXWUHKLSA-N 1 2 347.440 1.054 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000612006952 449518233 /nfs/dbraw/zinc/51/82/33/449518233.db2.gz APRLANQIHGKKSC-SFHVURJKSA-N 1 2 345.443 1.507 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)nc1N ZINC000594542786 449568158 /nfs/dbraw/zinc/56/81/58/449568158.db2.gz BAAYLWJKBODZFQ-UHFFFAOYSA-N 1 2 336.399 1.296 20 30 EDEDLO COc1c(N)[nH+]cnc1NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000594548970 449570630 /nfs/dbraw/zinc/57/06/30/449570630.db2.gz PYYJEHBOINNPJM-UHFFFAOYSA-N 1 2 325.376 1.415 20 30 EDEDLO COc1c(N)nc[nH+]c1NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000594548970 449570632 /nfs/dbraw/zinc/57/06/32/449570632.db2.gz PYYJEHBOINNPJM-UHFFFAOYSA-N 1 2 325.376 1.415 20 30 EDEDLO Cc1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(N)n1 ZINC000596656292 449589291 /nfs/dbraw/zinc/58/92/91/449589291.db2.gz FKNBCFNZNSSBJC-UHFFFAOYSA-N 1 2 336.399 1.197 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166118 449595185 /nfs/dbraw/zinc/59/51/85/449595185.db2.gz AOGMXLOAVRQSJK-QAPCUYQASA-N 1 2 342.447 1.139 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166118 449595191 /nfs/dbraw/zinc/59/51/91/449595191.db2.gz AOGMXLOAVRQSJK-QAPCUYQASA-N 1 2 342.447 1.139 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596709459 449617267 /nfs/dbraw/zinc/61/72/67/449617267.db2.gz YYLFDLQYQBZCES-CHWSQXEVSA-N 1 2 332.404 1.798 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596709459 449617275 /nfs/dbraw/zinc/61/72/75/449617275.db2.gz YYLFDLQYQBZCES-CHWSQXEVSA-N 1 2 332.404 1.798 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ncc2ccccn21 ZINC000601024256 449659106 /nfs/dbraw/zinc/65/91/06/449659106.db2.gz VBVOMKSWNTXADE-UHFFFAOYSA-N 1 2 327.388 1.022 20 30 EDEDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977685 449746944 /nfs/dbraw/zinc/74/69/44/449746944.db2.gz NLUZDKKVRMHZCB-HNNXBMFYSA-N 1 2 327.384 1.105 20 30 EDEDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977685 449746951 /nfs/dbraw/zinc/74/69/51/449746951.db2.gz NLUZDKKVRMHZCB-HNNXBMFYSA-N 1 2 327.384 1.105 20 30 EDEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2=O)cc1 ZINC000594937398 449813966 /nfs/dbraw/zinc/81/39/66/449813966.db2.gz IMTWGSQOZYLUEC-GOSISDBHSA-N 1 2 335.411 1.592 20 30 EDEDLO CCC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)OC ZINC000599265301 449842800 /nfs/dbraw/zinc/84/28/00/449842800.db2.gz QBESYTSOIJNGNB-UHFFFAOYSA-N 1 2 328.368 1.171 20 30 EDEDLO CCC[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)OC ZINC000599265301 449842804 /nfs/dbraw/zinc/84/28/04/449842804.db2.gz QBESYTSOIJNGNB-UHFFFAOYSA-N 1 2 328.368 1.171 20 30 EDEDLO CN(C)c1ncc(C[NH+]2CCN(c3ccsc3C#N)CC2)cn1 ZINC000597182534 449857944 /nfs/dbraw/zinc/85/79/44/449857944.db2.gz DJGJXXLPUWZMRH-UHFFFAOYSA-N 1 2 328.445 1.798 20 30 EDEDLO Cc1ccccc1C(=O)NC1CCN(C(=O)C[NH2+][C@H](C)CC#N)CC1 ZINC000602871237 449879330 /nfs/dbraw/zinc/87/93/30/449879330.db2.gz ZVLBLOWRCJUTFC-OAHLLOKOSA-N 1 2 342.443 1.608 20 30 EDEDLO COC[C@]1(C(=O)OC)CCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000597222186 449880715 /nfs/dbraw/zinc/88/07/15/449880715.db2.gz VRWGZHCEBFGLTR-KRWDZBQOSA-N 1 2 328.372 1.360 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000601383631 449900514 /nfs/dbraw/zinc/90/05/14/449900514.db2.gz NNAKWBNHQMBSFE-NWDGAFQWSA-N 1 2 325.409 1.719 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000601383631 449900515 /nfs/dbraw/zinc/90/05/15/449900515.db2.gz NNAKWBNHQMBSFE-NWDGAFQWSA-N 1 2 325.409 1.719 20 30 EDEDLO N#CCc1ccccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000601343007 449852489 /nfs/dbraw/zinc/85/24/89/449852489.db2.gz JAORUSLGVKMDPJ-MRXNPFEDSA-N 1 2 342.424 1.483 20 30 EDEDLO N#Cc1c(F)cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1F ZINC000597307854 449935819 /nfs/dbraw/zinc/93/58/19/449935819.db2.gz UKNVARMVAZICDU-CYBMUJFWSA-N 1 2 335.354 1.773 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CCCC1 ZINC000601424223 449943564 /nfs/dbraw/zinc/94/35/64/449943564.db2.gz BVEDBVFXMXMKRR-HNNXBMFYSA-N 1 2 341.477 1.197 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)C2(C#N)CC3(CC3)C2)C1=O ZINC000601426202 449946076 /nfs/dbraw/zinc/94/60/76/449946076.db2.gz TZOGJRACSOETDM-CYBMUJFWSA-N 1 2 341.415 1.111 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000601385266 449901211 /nfs/dbraw/zinc/90/12/11/449901211.db2.gz LZMJMKKZIRVBDP-RYUDHWBXSA-N 1 2 325.409 1.719 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000601385266 449901217 /nfs/dbraw/zinc/90/12/17/449901217.db2.gz LZMJMKKZIRVBDP-RYUDHWBXSA-N 1 2 325.409 1.719 20 30 EDEDLO COC(=O)C12CCC(CC1)[N@@H+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000602983294 449980699 /nfs/dbraw/zinc/98/06/99/449980699.db2.gz HAFQZMQZUKWTJW-SWKXRBFHSA-N 1 2 330.384 1.468 20 30 EDEDLO COC(=O)C12CCC(CC1)[N@H+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000602983294 449980701 /nfs/dbraw/zinc/98/07/01/449980701.db2.gz HAFQZMQZUKWTJW-SWKXRBFHSA-N 1 2 330.384 1.468 20 30 EDEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)CC2)nc1 ZINC000595296216 450010693 /nfs/dbraw/zinc/01/06/93/450010693.db2.gz XWNHWDSEEWWZGB-GVDBMIGSSA-N 1 2 339.443 1.523 20 30 EDEDLO N#CCN1CCC(NC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000609336404 450011922 /nfs/dbraw/zinc/01/19/22/450011922.db2.gz WQWGZKLFYFPCRL-UHFFFAOYSA-N 1 2 326.404 1.164 20 30 EDEDLO N#CCN1CCC(NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000609336309 450012433 /nfs/dbraw/zinc/01/24/33/450012433.db2.gz FUNZUZPQMBKZCV-UHFFFAOYSA-N 1 2 346.822 1.775 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603085024 450057348 /nfs/dbraw/zinc/05/73/48/450057348.db2.gz BNVHOOMBZVGOHU-IGCXYCKISA-N 1 2 331.441 1.943 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603085024 450057355 /nfs/dbraw/zinc/05/73/55/450057355.db2.gz BNVHOOMBZVGOHU-IGCXYCKISA-N 1 2 331.441 1.943 20 30 EDEDLO CC1(C)[C@@H](NC(=O)c2cc(O)cc(C#N)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000603117020 450079597 /nfs/dbraw/zinc/07/95/97/450079597.db2.gz OUVBUQMVAJHKAE-HOTGVXAUSA-N 1 2 329.400 1.493 20 30 EDEDLO CCn1nc(C(=O)NC2(C#N)CC[NH+](C)CC2)c(=O)c2ccccc21 ZINC000609820863 450100207 /nfs/dbraw/zinc/10/02/07/450100207.db2.gz NRMWIXUBEGFOJD-UHFFFAOYSA-N 1 2 339.399 1.134 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000599665923 450138529 /nfs/dbraw/zinc/13/85/29/450138529.db2.gz KBGSDQQQEPAEEZ-XJKSGUPXSA-N 1 2 341.411 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/nfs/dbraw/zinc/60/10/15/579601015.db2.gz BVCQMMBHAIRAOA-UHFFFAOYSA-N 1 2 326.510 1.841 20 30 EDEDLO C[C@H]1C[N@H+](C)CC1=NNS(=O)(=O)c1ccc(Br)cc1 ZINC000752155451 579839967 /nfs/dbraw/zinc/83/99/67/579839967.db2.gz QDJSFWKCGARXKU-VIFPVBQESA-N 1 2 346.250 1.665 20 30 EDEDLO C[C@H]1C[N@@H+](C)CC1=NNS(=O)(=O)c1ccc(Br)cc1 ZINC000752155451 579839968 /nfs/dbraw/zinc/83/99/68/579839968.db2.gz QDJSFWKCGARXKU-VIFPVBQESA-N 1 2 346.250 1.665 20 30 EDEDLO C[C@@H]1C[N@H+](C)CC1=NNS(=O)(=O)c1ccc(Br)cc1 ZINC000752155450 579839988 /nfs/dbraw/zinc/83/99/88/579839988.db2.gz QDJSFWKCGARXKU-SECBINFHSA-N 1 2 346.250 1.665 20 30 EDEDLO C[C@@H]1C[N@@H+](C)CC1=NNS(=O)(=O)c1ccc(Br)cc1 ZINC000752155450 579839989 /nfs/dbraw/zinc/83/99/89/579839989.db2.gz QDJSFWKCGARXKU-SECBINFHSA-N 1 2 346.250 1.665 20 30 EDEDLO CN1CCc2cc(C=[NH+]Nc3ccc(S(N)(=O)=O)cc3)ccc21 ZINC000752712679 579864229 /nfs/dbraw/zinc/86/42/29/579864229.db2.gz CUKYLSPUHFTORV-UHFFFAOYSA-N 1 2 330.413 1.772 20 30 EDEDLO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)O[C@@H](C)C(=O)N(C)CCC#N ZINC000754505940 579904605 /nfs/dbraw/zinc/90/46/05/579904605.db2.gz PYXSIBYDEJDORN-DZGCQCFKSA-N 1 2 339.436 1.083 20 30 EDEDLO C=CCc1cc(OC)cc(C[NH+]2CC(OCC(=O)N(C)C)C2)c1O ZINC000754737605 579910498 /nfs/dbraw/zinc/91/04/98/579910498.db2.gz TZSITMNKXUHENO-UHFFFAOYSA-N 1 2 334.416 1.418 20 30 EDEDLO COc1cccc(OCC2N=NC(=S)N2N=Cc2c[nH+]cn2C)c1 ZINC000755606742 579930867 /nfs/dbraw/zinc/93/08/67/579930867.db2.gz QEXSOMCUVYRVCC-UHFFFAOYSA-N 1 2 344.400 1.770 20 30 EDEDLO Cc1ccc(NC(=O)NCCNC(=O)C2N=CC=CC2=O)c(C)[nH+]1 ZINC000755843909 579936432 /nfs/dbraw/zinc/93/64/32/579936432.db2.gz FNNNJBHNVBLTFS-PFONDFGASA-N 1 2 329.360 1.346 20 30 EDEDLO Cn1c(=O)[nH]cc(C(=O)C=Cc2[nH+]ccn2Cc2ccccc2)c1=O ZINC000761805585 580062052 /nfs/dbraw/zinc/06/20/52/580062052.db2.gz GJDCBLDUOLGWLX-FPLPWBNLSA-N 1 2 336.351 1.627 20 30 EDEDLO CC[N@H+](CC(=O)NC)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764204243 580115554 /nfs/dbraw/zinc/11/55/54/580115554.db2.gz OUCQQZIIJFTETI-OAHLLOKOSA-N 1 2 330.432 1.698 20 30 EDEDLO CC[N@@H+](CC(=O)NC)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764204243 580115555 /nfs/dbraw/zinc/11/55/55/580115555.db2.gz OUCQQZIIJFTETI-OAHLLOKOSA-N 1 2 330.432 1.698 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCOC4(CCOCC4)CC3)c1=O)CCC2 ZINC000766633636 580170790 /nfs/dbraw/zinc/17/07/90/580170790.db2.gz HLJDSWRGXUEJTA-UHFFFAOYSA-N 1 2 343.427 1.438 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCOC4(CCOCC4)CC3)c1=O)CCC2 ZINC000766633636 580170791 /nfs/dbraw/zinc/17/07/91/580170791.db2.gz HLJDSWRGXUEJTA-UHFFFAOYSA-N 1 2 343.427 1.438 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000767195630 580183614 /nfs/dbraw/zinc/18/36/14/580183614.db2.gz OEKMFGWDTNIKGC-HSZRJFAPSA-N 1 2 334.489 1.751 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000767655855 580196207 /nfs/dbraw/zinc/19/62/07/580196207.db2.gz OVSGQTYNYSRPKZ-ZDUSSCGKSA-N 1 2 348.403 1.999 20 30 EDEDLO C[N@H+](CC(=O)OCC(=O)NC1(C#N)CCCCC1)[C@H]1CCSC1 ZINC000772050659 580301777 /nfs/dbraw/zinc/30/17/77/580301777.db2.gz WVCQHSDSUUBYSD-ZDUSSCGKSA-N 1 2 339.461 1.310 20 30 EDEDLO C[N@@H+](CC(=O)OCC(=O)NC1(C#N)CCCCC1)[C@H]1CCSC1 ZINC000772050659 580301778 /nfs/dbraw/zinc/30/17/78/580301778.db2.gz WVCQHSDSUUBYSD-ZDUSSCGKSA-N 1 2 339.461 1.310 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772050865 580301803 /nfs/dbraw/zinc/30/18/03/580301803.db2.gz RKGMXRITLSCNHD-DOMZBBRYSA-N 1 2 327.450 1.021 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772050865 580301804 /nfs/dbraw/zinc/30/18/04/580301804.db2.gz RKGMXRITLSCNHD-DOMZBBRYSA-N 1 2 327.450 1.021 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2(OCc3ccccc3)CCOCC2)CC1 ZINC000772694260 580317982 /nfs/dbraw/zinc/31/79/82/580317982.db2.gz UHLDKKDRIZPMET-UHFFFAOYSA-N 1 2 342.439 1.530 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCC[N@H+](Cc2cscn2)CC1)[C@H]1CCCO1 ZINC000773548661 580340589 /nfs/dbraw/zinc/34/05/89/580340589.db2.gz MILNLQGVYPKAKM-HZPDHXFCSA-N 1 2 348.472 1.541 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)[C@H]1CCCO1 ZINC000773548661 580340590 /nfs/dbraw/zinc/34/05/90/580340590.db2.gz MILNLQGVYPKAKM-HZPDHXFCSA-N 1 2 348.472 1.541 20 30 EDEDLO COc1cccc(NC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000773973500 580350741 /nfs/dbraw/zinc/35/07/41/580350741.db2.gz FJZZWFSDXJPDKS-UKRRQHHQSA-N 1 2 347.440 1.780 20 30 EDEDLO COc1cccc(NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000773973500 580350742 /nfs/dbraw/zinc/35/07/42/580350742.db2.gz FJZZWFSDXJPDKS-UKRRQHHQSA-N 1 2 347.440 1.780 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCOC(=O)c1ccc(C#N)nc1 ZINC000774754039 580373055 /nfs/dbraw/zinc/37/30/55/580373055.db2.gz BSUCTFGXFDWUJR-OAHLLOKOSA-N 1 2 345.399 1.916 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCOC(=O)c1ccc(C#N)nc1 ZINC000774754039 580373056 /nfs/dbraw/zinc/37/30/56/580373056.db2.gz BSUCTFGXFDWUJR-OAHLLOKOSA-N 1 2 345.399 1.916 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779481079 580486886 /nfs/dbraw/zinc/48/68/86/580486886.db2.gz KGLXBUFPWNBREH-HYXAFXHYSA-N 1 2 345.399 1.185 20 30 EDEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc(C#N)cc1 ZINC000779563880 580489665 /nfs/dbraw/zinc/48/96/65/580489665.db2.gz JEKINIOYAWAJBZ-OAHLLOKOSA-N 1 2 326.356 1.045 20 30 EDEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cc(Br)c(F)cc1O ZINC000779798241 580497668 /nfs/dbraw/zinc/49/76/68/580497668.db2.gz NQIAABPTIZTLEL-ZCFIWIBFSA-N 1 2 329.173 1.955 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000781808710 580557410 /nfs/dbraw/zinc/55/74/10/580557410.db2.gz OALDNJYJLXJAPA-INIZCTEOSA-N 1 2 341.390 1.179 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ncn(Cc2cccc(F)c2)n1 ZINC000781808710 580557411 /nfs/dbraw/zinc/55/74/11/580557411.db2.gz OALDNJYJLXJAPA-INIZCTEOSA-N 1 2 341.390 1.179 20 30 EDEDLO CN(C)c1cc(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)cc[nH+]1 ZINC000782112450 580566513 /nfs/dbraw/zinc/56/65/13/580566513.db2.gz RHDNGWAFMVOFNU-LJQANCHMSA-N 1 2 349.394 1.986 20 30 EDEDLO C#CCOCCNC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000784545959 580623482 /nfs/dbraw/zinc/62/34/82/580623482.db2.gz RWKCIQBUJYMOIK-UHFFFAOYSA-N 1 2 335.835 1.817 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788765261 580729232 /nfs/dbraw/zinc/72/92/32/580729232.db2.gz IWCCUWBULXEZDG-CQSZACIVSA-N 1 2 333.432 1.021 20 30 EDEDLO N#Cc1c(=O)n(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc2c1CCCC2 ZINC000793517176 580846895 /nfs/dbraw/zinc/84/68/95/580846895.db2.gz QUEBGFUWULRYRL-GOSISDBHSA-N 1 2 329.400 1.048 20 30 EDEDLO N#Cc1c(=O)n(C[N@H+]2CCO[C@]3(CCOC3)C2)cc2c1CCCC2 ZINC000793517176 580846896 /nfs/dbraw/zinc/84/68/96/580846896.db2.gz QUEBGFUWULRYRL-GOSISDBHSA-N 1 2 329.400 1.048 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3C(=O)c4ccccc4C3=O)C2)nc1 ZINC000793592270 580848373 /nfs/dbraw/zinc/84/83/73/580848373.db2.gz QRXVKSRUKDTCOM-AWEZNQCLSA-N 1 2 348.362 1.660 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3C(=O)c4ccccc4C3=O)C2)nc1 ZINC000793592270 580848374 /nfs/dbraw/zinc/84/83/74/580848374.db2.gz QRXVKSRUKDTCOM-AWEZNQCLSA-N 1 2 348.362 1.660 20 30 EDEDLO C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CC(C)(C)OC1=O ZINC000795664965 580933400 /nfs/dbraw/zinc/93/34/00/580933400.db2.gz GNFOVCFTMDMGGX-ZBFHGGJFSA-N 1 2 332.400 1.518 20 30 EDEDLO C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H]1CC(C)(C)OC1=O ZINC000795664965 580933401 /nfs/dbraw/zinc/93/34/01/580933401.db2.gz GNFOVCFTMDMGGX-ZBFHGGJFSA-N 1 2 332.400 1.518 20 30 EDEDLO CO[C@H](C)C[N@H+](C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000795747440 580936401 /nfs/dbraw/zinc/93/64/01/580936401.db2.gz AQNWPMJKNWOWBX-PXAZEXFGSA-N 1 2 330.388 1.249 20 30 EDEDLO CO[C@H](C)C[N@@H+](C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000795747440 580936402 /nfs/dbraw/zinc/93/64/02/580936402.db2.gz AQNWPMJKNWOWBX-PXAZEXFGSA-N 1 2 330.388 1.249 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@@](C)(c3ccccc3)CC2=O)C1=O ZINC000799144443 581018811 /nfs/dbraw/zinc/01/88/11/581018811.db2.gz YYMXMRSKKAPZOE-PXNSSMCTSA-N 1 2 341.455 1.853 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@@](C)(c3ccccc3)CC2=O)C1=O ZINC000799144443 581018812 /nfs/dbraw/zinc/01/88/12/581018812.db2.gz YYMXMRSKKAPZOE-PXNSSMCTSA-N 1 2 341.455 1.853 20 30 EDEDLO CCCCCCCS(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000799790924 581036760 /nfs/dbraw/zinc/03/67/60/581036760.db2.gz PGGPRTADHUDZKE-UHFFFAOYSA-N 1 2 347.525 1.383 20 30 EDEDLO COC(=O)C[N@H+](CCO[C@H](C)C#N)Cc1cc(Cl)ccc1O ZINC000801932671 581088427 /nfs/dbraw/zinc/08/84/27/581088427.db2.gz UHWMPYZRYOXFDG-LLVKDONJSA-N 1 2 326.780 1.949 20 30 EDEDLO COC(=O)C[N@@H+](CCO[C@H](C)C#N)Cc1cc(Cl)ccc1O ZINC000801932671 581088428 /nfs/dbraw/zinc/08/84/28/581088428.db2.gz UHWMPYZRYOXFDG-LLVKDONJSA-N 1 2 326.780 1.949 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000893575149 590977990 /nfs/dbraw/zinc/97/79/90/590977990.db2.gz DCCASYUSHSAWKO-AGIUHOORSA-N 1 2 325.409 1.487 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(F)cc(F)c1O ZINC000893863686 591119344 /nfs/dbraw/zinc/11/93/44/591119344.db2.gz LACSORDSEDIFKZ-UHFFFAOYSA-N 1 2 325.359 1.718 20 30 EDEDLO COCCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000891580486 591136112 /nfs/dbraw/zinc/13/61/12/591136112.db2.gz JSPIEBUHYQZRMP-UHFFFAOYSA-N 1 2 342.399 1.894 20 30 EDEDLO N#Cc1cc(CN2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)cs1 ZINC000894450549 591315155 /nfs/dbraw/zinc/31/51/55/591315155.db2.gz WXMYFMBUEXPWQS-KRWDZBQOSA-N 1 2 340.452 1.964 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\C=C(Cl)Cl)CC1 ZINC000896181725 591372449 /nfs/dbraw/zinc/37/24/49/591372449.db2.gz NLOUYVBQPZPZHI-UTCJRWHESA-N 1 2 344.242 1.145 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\C=C(Cl)Cl)CC1 ZINC000896181725 591372454 /nfs/dbraw/zinc/37/24/54/591372454.db2.gz NLOUYVBQPZPZHI-UTCJRWHESA-N 1 2 344.242 1.145 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)c1[nH]c2ccccc2c1C#N)[NH+]1CCOCC1 ZINC000896188239 591376114 /nfs/dbraw/zinc/37/61/14/591376114.db2.gz ZPYXDSOEQZPFBD-QWHCGFSZSA-N 1 2 326.400 1.879 20 30 EDEDLO C[C@@H](NC(=O)c1[nH]c2ccccc2c1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000896188238 591376330 /nfs/dbraw/zinc/37/63/30/591376330.db2.gz ZPYXDSOEQZPFBD-OLZOCXBDSA-N 1 2 326.400 1.879 20 30 EDEDLO Cc1nsc(N2CCN(Cc3c(C)cc[nH+]c3N)CC2)c1C#N ZINC000894795994 591419854 /nfs/dbraw/zinc/41/98/54/591419854.db2.gz WKADWTHVMIJUHV-UHFFFAOYSA-N 1 2 328.445 1.931 20 30 EDEDLO COC(=O)[C@@H]1[C@H](C[NH+]2CCN(c3ccsc3C#N)CC2)C1(F)F ZINC000895235876 591671504 /nfs/dbraw/zinc/67/15/04/591671504.db2.gz NKDPFXHGQWWGGU-GWCFXTLKSA-N 1 2 341.383 1.796 20 30 EDEDLO CC1(O)CCN(c2cc(NCc3nc(C#N)cs3)[nH+]cn2)CC1 ZINC000896929435 591686111 /nfs/dbraw/zinc/68/61/11/591686111.db2.gz DESLFBNGAWDVCG-UHFFFAOYSA-N 1 2 330.417 1.768 20 30 EDEDLO CC1(O)CCN(c2cc(NCc3nc(C#N)cs3)nc[nH+]2)CC1 ZINC000896929435 591686114 /nfs/dbraw/zinc/68/61/14/591686114.db2.gz DESLFBNGAWDVCG-UHFFFAOYSA-N 1 2 330.417 1.768 20 30 EDEDLO N#C[C@@]12C[N@H+](Cc3ccc4ccccc4c3O)C[C@@H]1CS(=O)(=O)C2 ZINC000897062961 591730586 /nfs/dbraw/zinc/73/05/86/591730586.db2.gz KGKLZZFZLZLUTO-QAPCUYQASA-N 1 2 342.420 1.916 20 30 EDEDLO N#C[C@@]12C[N@@H+](Cc3ccc4ccccc4c3O)C[C@@H]1CS(=O)(=O)C2 ZINC000897062961 591730590 /nfs/dbraw/zinc/73/05/90/591730590.db2.gz KGKLZZFZLZLUTO-QAPCUYQASA-N 1 2 342.420 1.916 20 30 EDEDLO CCC/C=C/[C@H](O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000899967468 591848104 /nfs/dbraw/zinc/84/81/04/591848104.db2.gz MASFMIZNASBPLB-WRFKIARRSA-N 1 2 327.428 1.920 20 30 EDEDLO C=CCn1c(C)nn(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c1=S ZINC000902515715 592008691 /nfs/dbraw/zinc/00/86/91/592008691.db2.gz YMBVIDFBJUJPGH-CYBMUJFWSA-N 1 2 337.449 1.686 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2nc(C(F)(F)F)n3ccccc23)CC1 ZINC000900689805 592095736 /nfs/dbraw/zinc/09/57/36/592095736.db2.gz LKIUJXQSUCISSR-UHFFFAOYSA-N 1 2 336.317 1.744 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000903028404 592108975 /nfs/dbraw/zinc/10/89/75/592108975.db2.gz NYFVAQPBOUGRIL-MRXNPFEDSA-N 1 2 336.399 1.151 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000903028404 592108977 /nfs/dbraw/zinc/10/89/77/592108977.db2.gz NYFVAQPBOUGRIL-MRXNPFEDSA-N 1 2 336.399 1.151 20 30 EDEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cn1)c1ccsc1 ZINC000906834331 592361149 /nfs/dbraw/zinc/36/11/49/592361149.db2.gz XJVPHUHSUXNWBC-ZDUSSCGKSA-N 1 2 336.442 1.596 20 30 EDEDLO C[C@@H]1COC[C@H]1N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000905002893 592363030 /nfs/dbraw/zinc/36/30/30/592363030.db2.gz UGJYRAUBFKRGNN-BXUZGUMPSA-N 1 2 326.400 1.681 20 30 EDEDLO C[C@@H]1C[C@H](Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)C[C@H](C)O1 ZINC000901556941 592390539 /nfs/dbraw/zinc/39/05/39/592390539.db2.gz IGYWBYVHEIAHAO-ZSHCYNCHSA-N 1 2 345.443 1.756 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCCn3cc[nH+]c3)C2)nc1 ZINC000905150122 592439383 /nfs/dbraw/zinc/43/93/83/592439383.db2.gz XTSURZAVIALRNO-OAHLLOKOSA-N 1 2 339.403 1.436 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC(C[NH+]3CCOCC3)C2)cc1 ZINC000908336853 592450174 /nfs/dbraw/zinc/45/01/74/592450174.db2.gz YAEDRZNUPBCQPL-VOTSOKGWSA-N 1 2 328.412 1.525 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000905396842 592528017 /nfs/dbraw/zinc/52/80/17/592528017.db2.gz VCLDLCXWZPTIMU-FHWLQOOXSA-N 1 2 344.455 1.985 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000905396842 592528018 /nfs/dbraw/zinc/52/80/18/592528018.db2.gz VCLDLCXWZPTIMU-FHWLQOOXSA-N 1 2 344.455 1.985 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000907141021 592528106 /nfs/dbraw/zinc/52/81/06/592528106.db2.gz GGSBEBQYSLECGO-INIZCTEOSA-N 1 2 344.440 1.079 20 30 EDEDLO C[C@@H]1C[N@H+](C)C[C@@H](c2nnc(N(C)Cc3cc(C#N)cs3)n2C)O1 ZINC000908568697 592542805 /nfs/dbraw/zinc/54/28/05/592542805.db2.gz MFMHWDZYEYYHAE-RISCZKNCSA-N 1 2 346.460 1.776 20 30 EDEDLO C[C@@H]1C[N@@H+](C)C[C@@H](c2nnc(N(C)Cc3cc(C#N)cs3)n2C)O1 ZINC000908568697 592542808 /nfs/dbraw/zinc/54/28/08/592542808.db2.gz MFMHWDZYEYYHAE-RISCZKNCSA-N 1 2 346.460 1.776 20 30 EDEDLO CC(C)[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)N1Cc2ccccc2C1=O ZINC000905495593 592552916 /nfs/dbraw/zinc/55/29/16/592552916.db2.gz LUXDUEPYKDGPJV-VQIMIIECSA-N 1 2 342.443 1.627 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc2c1OC(C)(C)C[C@@H]2O ZINC000905602264 592574909 /nfs/dbraw/zinc/57/49/09/592574909.db2.gz CXTGDUSRSPNWCH-CJNGLKHVSA-N 1 2 333.432 1.899 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc2c1OC(C)(C)C[C@@H]2O ZINC000905602264 592574911 /nfs/dbraw/zinc/57/49/11/592574911.db2.gz CXTGDUSRSPNWCH-CJNGLKHVSA-N 1 2 333.432 1.899 20 30 EDEDLO C#CC[N@H+](CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(C)C ZINC000905743522 592634740 /nfs/dbraw/zinc/63/47/40/592634740.db2.gz UEYHCVNZQOQCAT-KRWDZBQOSA-N 1 2 344.371 1.663 20 30 EDEDLO C#CC[N@@H+](CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O)C(C)C ZINC000905743522 592634742 /nfs/dbraw/zinc/63/47/42/592634742.db2.gz UEYHCVNZQOQCAT-KRWDZBQOSA-N 1 2 344.371 1.663 20 30 EDEDLO C=CC[C@H]([NH2+][C@H]1CCN(c2cc(OC)cc(OC)c2)C1)C(=O)OC ZINC000905762816 592639646 /nfs/dbraw/zinc/63/96/46/592639646.db2.gz UTSHTFVKUZBMFS-GUYCJALGSA-N 1 2 334.416 1.990 20 30 EDEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907416693 592640285 /nfs/dbraw/zinc/64/02/85/592640285.db2.gz IYKPVPYQUWMSSK-SNVBAGLBSA-N 1 2 344.234 1.303 20 30 EDEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907416693 592640286 /nfs/dbraw/zinc/64/02/86/592640286.db2.gz IYKPVPYQUWMSSK-SNVBAGLBSA-N 1 2 344.234 1.303 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC[S@](=O)C(F)(F)F)CC2)nc1 ZINC000905921970 592683083 /nfs/dbraw/zinc/68/30/83/592683083.db2.gz WPYJKKWQFMPMNP-QFIPXVFZSA-N 1 2 332.351 1.344 20 30 EDEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N(C)[C@H]1CC[C@H]1OC ZINC000909297219 592793511 /nfs/dbraw/zinc/79/35/11/592793511.db2.gz MXATUUKASADDCQ-JONQDZQNSA-N 1 2 349.479 1.859 20 30 EDEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N(C)[C@H]1CC[C@H]1OC ZINC000909297219 592793513 /nfs/dbraw/zinc/79/35/13/592793513.db2.gz MXATUUKASADDCQ-JONQDZQNSA-N 1 2 349.479 1.859 20 30 EDEDLO C[C@@H]1C[N@H+](C)C[C@H](c2nnc(N3CCC[C@H](C#N)C3)n2CC2CC2)O1 ZINC000910394481 592858118 /nfs/dbraw/zinc/85/81/18/592858118.db2.gz HVXLORJBVGBQPM-FVQBIDKESA-N 1 2 344.463 1.820 20 30 EDEDLO C[C@@H]1C[N@@H+](C)C[C@H](c2nnc(N3CCC[C@H](C#N)C3)n2CC2CC2)O1 ZINC000910394481 592858120 /nfs/dbraw/zinc/85/81/20/592858120.db2.gz HVXLORJBVGBQPM-FVQBIDKESA-N 1 2 344.463 1.820 20 30 EDEDLO N#Cc1ccc2c(c1)CCN2C(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000910482870 592869117 /nfs/dbraw/zinc/86/91/17/592869117.db2.gz XYXRKAHGGKQPSX-AWEZNQCLSA-N 1 2 338.367 1.316 20 30 EDEDLO N#Cc1ccc2c(c1)CCN2C(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000910482870 592869118 /nfs/dbraw/zinc/86/91/18/592869118.db2.gz XYXRKAHGGKQPSX-AWEZNQCLSA-N 1 2 338.367 1.316 20 30 EDEDLO COC[C@@H]1CC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000840083775 593144102 /nfs/dbraw/zinc/14/41/02/593144102.db2.gz NKNAWUXGBSMXLS-YOEHRIQHSA-N 1 2 328.372 1.003 20 30 EDEDLO COC[C@@H]1CC[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000840083775 593144104 /nfs/dbraw/zinc/14/41/04/593144104.db2.gz NKNAWUXGBSMXLS-YOEHRIQHSA-N 1 2 328.372 1.003 20 30 EDEDLO CCOc1cccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000797847145 593197169 /nfs/dbraw/zinc/19/71/69/593197169.db2.gz COIWDAQJDDYFJS-UHFFFAOYSA-N 1 2 346.431 1.097 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000839870596 593204757 /nfs/dbraw/zinc/20/47/57/593204757.db2.gz UUAPKTVEGWLFGU-CVEARBPZSA-N 1 2 329.375 1.145 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000839870596 593204758 /nfs/dbraw/zinc/20/47/58/593204758.db2.gz UUAPKTVEGWLFGU-CVEARBPZSA-N 1 2 329.375 1.145 20 30 EDEDLO C[C@@]1(CCc2ccccc2)NC(=O)N(N=Cc2ccc(N)[nH+]c2)C1=O ZINC000807960017 593212411 /nfs/dbraw/zinc/21/24/11/593212411.db2.gz JQPFGBHCPFAQGT-SFHVURJKSA-N 1 2 337.383 1.941 20 30 EDEDLO C[C@H](c1nc(-c2cccnc2-n2cc[nH+]c2)no1)n1cnc(C#N)n1 ZINC000809327997 593331768 /nfs/dbraw/zinc/33/17/68/593331768.db2.gz PWVBMPSUPJOKIK-SNVBAGLBSA-N 1 2 333.315 1.390 20 30 EDEDLO N#Cc1cccn(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1=O ZINC000758196168 593396441 /nfs/dbraw/zinc/39/64/41/593396441.db2.gz BZXDPCCVQYBANY-UHFFFAOYSA-N 1 2 342.424 1.633 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000805186891 593407239 /nfs/dbraw/zinc/40/72/39/593407239.db2.gz APXXVILNKDKZGW-AEFFLSMTSA-N 1 2 329.444 1.641 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000805186891 593407241 /nfs/dbraw/zinc/40/72/41/593407241.db2.gz APXXVILNKDKZGW-AEFFLSMTSA-N 1 2 329.444 1.641 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(F)cn3)CC2)cc1 ZINC000806270794 593435972 /nfs/dbraw/zinc/43/59/72/593435972.db2.gz FIJPRKQYMKXKJH-UHFFFAOYSA-N 1 2 338.386 1.979 20 30 EDEDLO C#CCOc1ccc(C(=O)N2CC[NH+](C(COC)COC)CC2)cc1 ZINC000839801682 593451042 /nfs/dbraw/zinc/45/10/42/593451042.db2.gz AFRXZBGXZMJZNV-UHFFFAOYSA-N 1 2 346.427 1.118 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccnc(N3CCC[C@H](C)C3)c2)CC1 ZINC000812485799 593502734 /nfs/dbraw/zinc/50/27/34/593502734.db2.gz ZDJAWAOTVFQAPN-INIZCTEOSA-N 1 2 326.444 1.709 20 30 EDEDLO CC(C)[C@@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)CS1 ZINC000814716797 593601165 /nfs/dbraw/zinc/60/11/65/593601165.db2.gz JHNPCIDQCSUOOL-ZDUSSCGKSA-N 1 2 330.523 1.300 20 30 EDEDLO CCOC(=O)c1cnc(N=NCc2c(Cl)[nH+]c(N)n2C)nc1C ZINC000814894727 593606281 /nfs/dbraw/zinc/60/62/81/593606281.db2.gz QYTRUSLEWNDZAS-UHFFFAOYSA-N 1 2 337.771 1.377 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CCC2)CC1 ZINC000817534578 593610723 /nfs/dbraw/zinc/61/07/23/593610723.db2.gz YYTMAAZWIPNHKF-HNNXBMFYSA-N 1 2 335.448 1.457 20 30 EDEDLO C#Cc1cccc(CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000817843907 593640354 /nfs/dbraw/zinc/64/03/54/593640354.db2.gz LLULQOZVDGXQGT-UHFFFAOYSA-N 1 2 336.395 1.344 20 30 EDEDLO C#Cc1cc(F)c(NC(=O)C(=O)NCc2c[nH+]ccc2OC)c(F)c1 ZINC000815768239 593651660 /nfs/dbraw/zinc/65/16/60/593651660.db2.gz RQFIPMNNOOMKTO-UHFFFAOYSA-N 1 2 345.305 1.605 20 30 EDEDLO CCOc1cc(C(=O)N(C)C)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819456609 593755529 /nfs/dbraw/zinc/75/55/29/593755529.db2.gz CXOZBJYQSICLFB-HNNXBMFYSA-N 1 2 348.447 1.405 20 30 EDEDLO CCOc1cc(C(=O)N(C)C)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819456609 593755530 /nfs/dbraw/zinc/75/55/30/593755530.db2.gz CXOZBJYQSICLFB-HNNXBMFYSA-N 1 2 348.447 1.405 20 30 EDEDLO CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@@H+](C3CC3)C[C@H]2C)o1 ZINC000820108780 593791898 /nfs/dbraw/zinc/79/18/98/593791898.db2.gz SJFVHLWAMABSGC-SNVBAGLBSA-N 1 2 344.423 1.935 20 30 EDEDLO CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC2C[N@H+](C3CC3)C[C@H]2C)o1 ZINC000820108780 593791899 /nfs/dbraw/zinc/79/18/99/593791899.db2.gz SJFVHLWAMABSGC-SNVBAGLBSA-N 1 2 344.423 1.935 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000822606212 594072572 /nfs/dbraw/zinc/07/25/72/594072572.db2.gz KWLBNNGEVNITCL-ZFWWWQNUSA-N 1 2 327.388 1.658 20 30 EDEDLO COc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1C#N ZINC000824902570 594094347 /nfs/dbraw/zinc/09/43/47/594094347.db2.gz YJZMNVURMOSYTE-UHFFFAOYSA-N 1 2 342.399 1.255 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000825080164 594127394 /nfs/dbraw/zinc/12/73/94/594127394.db2.gz IFABIZIUBVPNOZ-WMZOPIPTSA-N 1 2 330.428 1.814 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000825080164 594127396 /nfs/dbraw/zinc/12/73/96/594127396.db2.gz IFABIZIUBVPNOZ-WMZOPIPTSA-N 1 2 330.428 1.814 20 30 EDEDLO COC(=O)CCN(CC#N)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000825374274 594175354 /nfs/dbraw/zinc/17/53/54/594175354.db2.gz ISDPCHQLOXPCJT-JTQLQIEISA-N 1 2 332.282 1.292 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000825512398 594195224 /nfs/dbraw/zinc/19/52/24/594195224.db2.gz CWJIZLNNWFIUCW-OAHLLOKOSA-N 1 2 343.408 1.555 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H]4COC(=O)N[C@@H]4C3)o2)c1 ZINC000830944206 594520131 /nfs/dbraw/zinc/52/01/31/594520131.db2.gz VJLXEXXLRLWVLZ-UONOGXRCSA-N 1 2 339.355 1.539 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H]4COC(=O)N[C@@H]4C3)o2)c1 ZINC000830944206 594520132 /nfs/dbraw/zinc/52/01/32/594520132.db2.gz VJLXEXXLRLWVLZ-UONOGXRCSA-N 1 2 339.355 1.539 20 30 EDEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826551779 594523361 /nfs/dbraw/zinc/52/33/61/594523361.db2.gz PQIUEVTZEZKIAZ-FUHWJXTLSA-N 1 2 330.428 1.350 20 30 EDEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826551779 594523362 /nfs/dbraw/zinc/52/33/62/594523362.db2.gz PQIUEVTZEZKIAZ-FUHWJXTLSA-N 1 2 330.428 1.350 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826597499 594536019 /nfs/dbraw/zinc/53/60/19/594536019.db2.gz LNKIESPBKVUNLR-MJGOQNOKSA-N 1 2 332.444 1.639 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826597499 594536021 /nfs/dbraw/zinc/53/60/21/594536021.db2.gz LNKIESPBKVUNLR-MJGOQNOKSA-N 1 2 332.444 1.639 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C2 ZINC000829491345 594624902 /nfs/dbraw/zinc/62/49/02/594624902.db2.gz FQOWBTGFMWDHJP-MJGOQNOKSA-N 1 2 339.439 1.785 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C2 ZINC000829491345 594624904 /nfs/dbraw/zinc/62/49/04/594624904.db2.gz FQOWBTGFMWDHJP-MJGOQNOKSA-N 1 2 339.439 1.785 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831468812 594636697 /nfs/dbraw/zinc/63/66/97/594636697.db2.gz WJQVHPQVYXGIRJ-RDTXWAMCSA-N 1 2 347.438 1.786 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC2(C1)OCCO2 ZINC000104080447 594835402 /nfs/dbraw/zinc/83/54/02/594835402.db2.gz MCFIYADJWYMHMD-HNNXBMFYSA-N 1 2 329.400 1.771 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC2(C1)OCCO2 ZINC000104080447 594835403 /nfs/dbraw/zinc/83/54/03/594835403.db2.gz MCFIYADJWYMHMD-HNNXBMFYSA-N 1 2 329.400 1.771 20 30 EDEDLO CC(C)CCC[C@H](C)NC(=O)CON=C(N)C[NH+]1CCSCC1 ZINC000121430299 594867747 /nfs/dbraw/zinc/86/77/47/594867747.db2.gz DBLMPXKCTSYQJZ-AWEZNQCLSA-N 1 2 344.525 1.655 20 30 EDEDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)CON=C(N)C[NH+]1CCSCC1 ZINC000121511132 594911309 /nfs/dbraw/zinc/91/13/09/594911309.db2.gz PRSVZVQQYGZLOS-ZIAGYGMSSA-N 1 2 342.509 1.361 20 30 EDEDLO C=C[C@H](C)ONC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000845637307 595036094 /nfs/dbraw/zinc/03/60/94/595036094.db2.gz YEICIEUGIBIUOY-LBPRGKRZSA-N 1 2 347.419 1.089 20 30 EDEDLO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Br)cc(Cl)c1O ZINC000834488184 595139731 /nfs/dbraw/zinc/13/97/31/595139731.db2.gz ACSJBQNEWDPZPW-QUBYGPBYSA-N 1 2 344.596 1.649 20 30 EDEDLO COc1cc(C#N)ccc1OCCO[NH+]=C(N)COC[C@@H]1CCCO1 ZINC000842654983 595158846 /nfs/dbraw/zinc/15/88/46/595158846.db2.gz AWBAPGPNZGXXPW-AWEZNQCLSA-N 1 2 349.387 1.640 20 30 EDEDLO C#CC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C(=O)OC ZINC000837942026 595233294 /nfs/dbraw/zinc/23/32/94/595233294.db2.gz CHMXEHOUQUHNLJ-IAGOWNOFSA-N 1 2 346.402 1.861 20 30 EDEDLO C#CC[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C(=O)OC ZINC000837942026 595233295 /nfs/dbraw/zinc/23/32/95/595233295.db2.gz CHMXEHOUQUHNLJ-IAGOWNOFSA-N 1 2 346.402 1.861 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844277338 595315226 /nfs/dbraw/zinc/31/52/26/595315226.db2.gz ACVZPRGMKINOSK-BBRMVZONSA-N 1 2 327.388 1.518 20 30 EDEDLO O=[N+]([O-])c1cc2c(cc1C=NNCCCn1cc[nH+]c1)OCCO2 ZINC000848419052 595376005 /nfs/dbraw/zinc/37/60/05/595376005.db2.gz XTQOVBOQFVSWMO-UHFFFAOYSA-N 1 2 331.332 1.576 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2c(C)nc([C@H](C)CC)nc2C)CC1 ZINC000847488643 595432498 /nfs/dbraw/zinc/43/24/98/595432498.db2.gz BVMISFWFDBTCRY-CQSZACIVSA-N 1 2 328.460 1.927 20 30 EDEDLO CC(C)(NC(=S)NCC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000849276668 595499940 /nfs/dbraw/zinc/49/99/40/595499940.db2.gz IDDHKEVDIVKGLI-UHFFFAOYSA-N 1 2 332.473 1.590 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cnn(-c3ccccn3)c2C(C)C)CC1 ZINC000112920351 595568157 /nfs/dbraw/zinc/56/81/57/595568157.db2.gz LQQBQHLERLJDLE-UHFFFAOYSA-N 1 2 337.427 1.782 20 30 EDEDLO C=C(C)CNC(=S)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000853047717 595649377 /nfs/dbraw/zinc/64/93/77/595649377.db2.gz HVPBREISUSEHAY-KRWDZBQOSA-N 1 2 332.517 1.843 20 30 EDEDLO C=C(C)CNC(=S)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000853047717 595649379 /nfs/dbraw/zinc/64/93/79/595649379.db2.gz HVPBREISUSEHAY-KRWDZBQOSA-N 1 2 332.517 1.843 20 30 EDEDLO Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)nc1 ZINC000858032667 595687492 /nfs/dbraw/zinc/68/74/92/595687492.db2.gz MMGHMSINWYMSJY-QAPCUYQASA-N 1 2 330.432 1.898 20 30 EDEDLO Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)nc1 ZINC000858032667 595687493 /nfs/dbraw/zinc/68/74/93/595687493.db2.gz MMGHMSINWYMSJY-QAPCUYQASA-N 1 2 330.432 1.898 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCc1ccc(C#N)cn1)C(C)(C)CO ZINC000854009755 595952003 /nfs/dbraw/zinc/95/20/03/595952003.db2.gz FADZDQFHZCBBKZ-CQSZACIVSA-N 1 2 342.403 1.246 20 30 EDEDLO COC(=O)N(C)CC[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000852569140 596199455 /nfs/dbraw/zinc/19/94/55/596199455.db2.gz FPSGUKZJYNWQQO-GFCCVEGCSA-N 1 2 336.417 1.355 20 30 EDEDLO COC(=O)N(C)CC[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000852569140 596199458 /nfs/dbraw/zinc/19/94/58/596199458.db2.gz FPSGUKZJYNWQQO-GFCCVEGCSA-N 1 2 336.417 1.355 20 30 EDEDLO N#C[C@H](C(=O)C[N@@H+]1CCC2(COC2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000852683874 596226899 /nfs/dbraw/zinc/22/68/99/596226899.db2.gz UBWYZPFJQROPNB-CYBMUJFWSA-N 1 2 338.367 1.234 20 30 EDEDLO N#C[C@H](C(=O)C[N@H+]1CCC2(COC2)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000852683874 596226902 /nfs/dbraw/zinc/22/69/02/596226902.db2.gz UBWYZPFJQROPNB-CYBMUJFWSA-N 1 2 338.367 1.234 20 30 EDEDLO C#CCCCCC(=O)O[C@@H]1C[C@@H]2C(=O)NCc3ccc[nH+]c3N2C1 ZINC000870521155 596269878 /nfs/dbraw/zinc/26/98/78/596269878.db2.gz GLZQIPNFSFJMBB-HUUCEWRRSA-N 1 2 327.384 1.396 20 30 EDEDLO N#CCc1ccsc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000864772024 596347856 /nfs/dbraw/zinc/34/78/56/596347856.db2.gz DEXXYEVLFBVKMO-UHFFFAOYSA-N 1 2 342.424 1.976 20 30 EDEDLO C#CCN(C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000864975767 596432975 /nfs/dbraw/zinc/43/29/75/596432975.db2.gz ZMAJWLKXJHUPKW-OAHLLOKOSA-N 1 2 343.408 1.339 20 30 EDEDLO N#CC1(c2ccccn2)CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000868068277 596675213 /nfs/dbraw/zinc/67/52/13/596675213.db2.gz MJZPSCTXWMNFAM-HWKANZROSA-N 1 2 340.427 1.354 20 30 EDEDLO CCN(CC(F)(F)F)C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000871737935 596681878 /nfs/dbraw/zinc/68/18/78/596681878.db2.gz PGUVOGYMHCLGLJ-UHFFFAOYSA-N 1 2 345.321 1.669 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000863797430 596689902 /nfs/dbraw/zinc/68/99/02/596689902.db2.gz MQBLQWHRQPUTAP-ZDUSSCGKSA-N 1 2 328.328 1.549 20 30 EDEDLO C=C(Cl)C[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)C(=O)OCC ZINC000870028239 596716009 /nfs/dbraw/zinc/71/60/09/596716009.db2.gz FYVOEGRKVDLFGS-NWDGAFQWSA-N 1 2 334.869 1.614 20 30 EDEDLO N#CCN1CCC(CNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000866065971 596776426 /nfs/dbraw/zinc/77/64/26/596776426.db2.gz CTXARUHEMIVOAC-CQSZACIVSA-N 1 2 328.407 1.315 20 30 EDEDLO N#CCN1CCC(CNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000866065971 596776430 /nfs/dbraw/zinc/77/64/30/596776430.db2.gz CTXARUHEMIVOAC-CQSZACIVSA-N 1 2 328.407 1.315 20 30 EDEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCc3cccc(C(F)(F)F)c3C2)C1=O ZINC000864351373 596864192 /nfs/dbraw/zinc/86/41/92/596864192.db2.gz RLDBOOPUJUAVKO-AWEZNQCLSA-N 1 2 336.313 1.824 20 30 EDEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCc3cccc(C(F)(F)F)c3C2)C1=O ZINC000864351373 596864193 /nfs/dbraw/zinc/86/41/93/596864193.db2.gz RLDBOOPUJUAVKO-AWEZNQCLSA-N 1 2 336.313 1.824 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N=NC3CC[C@@H]4C[C@@H]43)nc2)CC1 ZINC000872333581 596882542 /nfs/dbraw/zinc/88/25/42/596882542.db2.gz SIOYKIJXHAJVDT-OCCSQVGLSA-N 1 2 349.460 1.216 20 30 EDEDLO S=C(NCCc1ccccn1)NN=C1CCC[N@@H+]2CCSC[C@H]12 ZINC000872348462 596883487 /nfs/dbraw/zinc/88/34/87/596883487.db2.gz HRGKXZZOIPQLAM-OAHLLOKOSA-N 1 2 349.529 1.655 20 30 EDEDLO S=C(NCCc1ccccn1)NN=C1CCC[N@H+]2CCSC[C@H]12 ZINC000872348462 596883490 /nfs/dbraw/zinc/88/34/90/596883490.db2.gz HRGKXZZOIPQLAM-OAHLLOKOSA-N 1 2 349.529 1.655 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000875641760 596930258 /nfs/dbraw/zinc/93/02/58/596930258.db2.gz JSTPLRQBLMSDGF-XHSDSOJGSA-N 1 2 328.416 1.919 20 30 EDEDLO Cc1cc(NC(=O)C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)ncc1C#N ZINC000874159678 596945460 /nfs/dbraw/zinc/94/54/60/596945460.db2.gz YBDYYWMDFNQLNP-MRXNPFEDSA-N 1 2 349.394 1.503 20 30 EDEDLO Cc1cc(NC(=O)C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)ncc1C#N ZINC000874159678 596945461 /nfs/dbraw/zinc/94/54/61/596945461.db2.gz YBDYYWMDFNQLNP-MRXNPFEDSA-N 1 2 349.394 1.503 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCc1ccc(C#N)cc1 ZINC000875717025 596959222 /nfs/dbraw/zinc/95/92/22/596959222.db2.gz UMNFCNIHHQCEIY-QGZVFWFLSA-N 1 2 330.432 1.511 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCc1ccc(C#N)cc1 ZINC000875717025 596959226 /nfs/dbraw/zinc/95/92/26/596959226.db2.gz UMNFCNIHHQCEIY-QGZVFWFLSA-N 1 2 330.432 1.511 20 30 EDEDLO C=C(C)COCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000875382876 597408214 /nfs/dbraw/zinc/40/82/14/597408214.db2.gz VMHBIDXYNFVNPA-JKSUJKDBSA-N 1 2 346.431 1.139 20 30 EDEDLO C=CCOCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@@H]2C1 ZINC000875474453 597444113 /nfs/dbraw/zinc/44/41/13/597444113.db2.gz XQMFGGNSWDBMEU-HZPDHXFCSA-N 1 2 346.431 1.403 20 30 EDEDLO C=C(Cl)C[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)C(=O)OCC ZINC000877672029 597546809 /nfs/dbraw/zinc/54/68/09/597546809.db2.gz UVHAHYMXRSDJNB-AAEUAGOBSA-N 1 2 337.869 1.864 20 30 EDEDLO C#CCC1(O)CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000883191667 597682143 /nfs/dbraw/zinc/68/21/43/597682143.db2.gz GLGGOZGKYNPQDQ-UHFFFAOYSA-N 1 2 338.411 1.932 20 30 EDEDLO CC1(C)OC[C@@H]([C@@H]2C[N@H+](CCOc3ccccc3C#N)CCO2)O1 ZINC000879920684 597764351 /nfs/dbraw/zinc/76/43/51/597764351.db2.gz QGJOSIXFQVTHPZ-IRXDYDNUSA-N 1 2 332.400 1.789 20 30 EDEDLO CC1(C)OC[C@@H]([C@@H]2C[N@@H+](CCOc3ccccc3C#N)CCO2)O1 ZINC000879920684 597764352 /nfs/dbraw/zinc/76/43/52/597764352.db2.gz QGJOSIXFQVTHPZ-IRXDYDNUSA-N 1 2 332.400 1.789 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349441 597910845 /nfs/dbraw/zinc/91/08/45/597910845.db2.gz ARZNDMMNLOPRAW-AWEZNQCLSA-N 1 2 343.427 1.839 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349441 597910846 /nfs/dbraw/zinc/91/08/46/597910846.db2.gz ARZNDMMNLOPRAW-AWEZNQCLSA-N 1 2 343.427 1.839 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463225 597924548 /nfs/dbraw/zinc/92/45/48/597924548.db2.gz DIWMQKDUYRAXJP-CQSZACIVSA-N 1 2 333.432 1.517 20 30 EDEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000880481618 597942566 /nfs/dbraw/zinc/94/25/66/597942566.db2.gz LSXMWHJFAKBGOG-UHFFFAOYSA-N 1 2 330.432 1.787 20 30 EDEDLO C#CCC1(O)CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000882968260 598120711 /nfs/dbraw/zinc/12/07/11/598120711.db2.gz IYCOFUPMRARLAZ-HUUCEWRRSA-N 1 2 330.432 1.038 20 30 EDEDLO C#CCC1(O)CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000882968260 598120713 /nfs/dbraw/zinc/12/07/13/598120713.db2.gz IYCOFUPMRARLAZ-HUUCEWRRSA-N 1 2 330.432 1.038 20 30 EDEDLO C=CCn1cc(C(=O)NC2C[NH+](Cc3c(C)cccc3C)C2)nn1 ZINC001031070177 695461122 /nfs/dbraw/zinc/46/11/22/695461122.db2.gz SHCOTVIXEWBDMR-UHFFFAOYSA-N 1 2 325.416 1.695 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000993582600 696234600 /nfs/dbraw/zinc/23/46/00/696234600.db2.gz VXOVYIGEIVKWCF-UHFFFAOYSA-N 1 2 342.443 1.445 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cncs3)[C@@H]2C)nn1 ZINC000993942049 696471589 /nfs/dbraw/zinc/47/15/89/696471589.db2.gz BSSLDIMXODOLGY-TZMCWYRMSA-N 1 2 346.460 1.704 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cncs3)[C@@H]2C)nn1 ZINC000993942049 696471590 /nfs/dbraw/zinc/47/15/90/696471590.db2.gz BSSLDIMXODOLGY-TZMCWYRMSA-N 1 2 346.460 1.704 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000994000093 696487503 /nfs/dbraw/zinc/48/75/03/696487503.db2.gz XWLLXMJIXIMXOE-BXUZGUMPSA-N 1 2 344.444 1.531 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000994000093 696487505 /nfs/dbraw/zinc/48/75/05/696487505.db2.gz XWLLXMJIXIMXOE-BXUZGUMPSA-N 1 2 344.444 1.531 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2nnc[nH]2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000994015182 696493327 /nfs/dbraw/zinc/49/33/27/696493327.db2.gz AMMFJPBZWIFSLD-MFKMUULPSA-N 1 2 330.417 1.521 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2nnc[nH]2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000994015182 696493328 /nfs/dbraw/zinc/49/33/28/696493328.db2.gz AMMFJPBZWIFSLD-MFKMUULPSA-N 1 2 330.417 1.521 20 30 EDEDLO Cc1nnsc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031542775 697228844 /nfs/dbraw/zinc/22/88/44/697228844.db2.gz DIXXPRCHRNVRLH-UHFFFAOYSA-N 1 2 345.403 1.719 20 30 EDEDLO CCO[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031567128 697258040 /nfs/dbraw/zinc/25/80/40/697258040.db2.gz XZQSWLIOMPYUIG-DOTOQJQBSA-N 1 2 331.391 1.670 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CCOC1 ZINC001031570667 697263282 /nfs/dbraw/zinc/26/32/82/697263282.db2.gz VAKFUFCYIOPTQP-MRXNPFEDSA-N 1 2 332.831 1.776 20 30 EDEDLO CCn1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)cn1 ZINC001031587885 697284258 /nfs/dbraw/zinc/28/42/58/697284258.db2.gz VROTWCJQHJHVEU-UHFFFAOYSA-N 1 2 340.402 1.755 20 30 EDEDLO Cn1cnc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001031613679 697324640 /nfs/dbraw/zinc/32/46/40/697324640.db2.gz SYTKNFUHKSUHOE-UHFFFAOYSA-N 1 2 326.375 1.273 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc3ccncc32)C1 ZINC000919875391 697357253 /nfs/dbraw/zinc/35/72/53/697357253.db2.gz STRISNUYXJWRCO-HNNXBMFYSA-N 1 2 329.425 1.611 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc3ccncc32)C1 ZINC000919875391 697357254 /nfs/dbraw/zinc/35/72/54/697357254.db2.gz STRISNUYXJWRCO-HNNXBMFYSA-N 1 2 329.425 1.611 20 30 EDEDLO Cc1nc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)co1 ZINC001031627280 697364330 /nfs/dbraw/zinc/36/43/30/697364330.db2.gz HWCJAGGJMJSDAW-UHFFFAOYSA-N 1 2 327.359 1.835 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc(Br)n[nH]2)C1 ZINC001031710851 697714267 /nfs/dbraw/zinc/71/42/67/697714267.db2.gz ZSZYROOXYBCUNC-UHFFFAOYSA-N 1 2 333.617 1.586 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCCN(C(=O)C#CC2CC2)C1 ZINC000943408928 698215592 /nfs/dbraw/zinc/21/55/92/698215592.db2.gz MCFZGWYVIUXMSF-HNNXBMFYSA-N 1 2 328.416 1.171 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000943511774 698424367 /nfs/dbraw/zinc/42/43/67/698424367.db2.gz FQPAHXSXCDWPBK-HNNXBMFYSA-N 1 2 330.432 1.737 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000938698324 698519809 /nfs/dbraw/zinc/51/98/09/698519809.db2.gz VFSFNVFEDDJZQG-CABCVRRESA-N 1 2 342.443 1.519 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2oncc2C)C1 ZINC001032097211 698661111 /nfs/dbraw/zinc/66/11/11/698661111.db2.gz RKOAJUKRVROEOH-UHFFFAOYSA-N 1 2 340.383 1.725 20 30 EDEDLO Cc1cnoc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001032096897 698688978 /nfs/dbraw/zinc/68/89/78/698688978.db2.gz ICVNZJRXVNIJLL-UHFFFAOYSA-N 1 2 327.359 1.835 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](C)C1 ZINC000943727033 698756590 /nfs/dbraw/zinc/75/65/90/698756590.db2.gz NPJOFEHQLLOPGN-WPRPVWTQSA-N 1 2 329.198 1.418 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](C)C1 ZINC000943727033 698756593 /nfs/dbraw/zinc/75/65/93/698756593.db2.gz NPJOFEHQLLOPGN-WPRPVWTQSA-N 1 2 329.198 1.418 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(C)no3)C2)c1 ZINC000939108843 699176351 /nfs/dbraw/zinc/17/63/51/699176351.db2.gz WBAHVZAUOWJFLJ-XHDPSFHLSA-N 1 2 325.372 1.005 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc[nH]c3CCC)CC2)C1 ZINC000941528217 701571445 /nfs/dbraw/zinc/57/14/45/701571445.db2.gz PDBVBBYOFYEZST-UHFFFAOYSA-N 1 2 328.460 1.433 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](c3ccncc3)C(C)C)CC2)C1 ZINC000941534093 701573757 /nfs/dbraw/zinc/57/37/57/701573757.db2.gz LMOMBAUYLUZIBD-LJQANCHMSA-N 1 2 340.471 1.283 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccn(C(CC)CC)n3)CC2)C1 ZINC000941595511 701587295 /nfs/dbraw/zinc/58/72/95/701587295.db2.gz KRISNERFZMGKPO-UHFFFAOYSA-N 1 2 343.475 1.319 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3ccccc3CC)CC2)C1 ZINC000941654216 701605852 /nfs/dbraw/zinc/60/58/52/701605852.db2.gz CCHIMVQMUPJPGB-UHFFFAOYSA-N 1 2 341.455 1.089 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](OC)C3CCCC3)CC2)C1 ZINC000941651058 701611811 /nfs/dbraw/zinc/61/18/11/701611811.db2.gz QIARHQUGVLKFFT-SFHVURJKSA-N 1 2 333.476 1.043 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000941669766 701612772 /nfs/dbraw/zinc/61/27/72/701612772.db2.gz KLUZHAZONXWHGS-GOSISDBHSA-N 1 2 332.448 1.626 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)n3c(C)ccc3C)CC2)C1 ZINC000941677708 701616121 /nfs/dbraw/zinc/61/61/21/701616121.db2.gz USMGSZYDBGBWTP-GOSISDBHSA-N 1 2 342.487 1.518 20 30 EDEDLO Cc1cc(=O)[nH]cc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031966425 701629834 /nfs/dbraw/zinc/62/98/34/701629834.db2.gz AWHBMLLDRNDENT-UHFFFAOYSA-N 1 2 336.395 1.829 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)o1 ZINC000940656492 700818983 /nfs/dbraw/zinc/81/89/83/700818983.db2.gz CDPFQRHYQTXQON-CQSZACIVSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)o1 ZINC000940656492 700818985 /nfs/dbraw/zinc/81/89/85/700818985.db2.gz CDPFQRHYQTXQON-CQSZACIVSA-N 1 2 342.403 1.608 20 30 EDEDLO CC1(C)C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940659348 700820581 /nfs/dbraw/zinc/82/05/81/700820581.db2.gz WWIGCNWTCCWHCN-HNNXBMFYSA-N 1 2 327.388 1.905 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940659348 700820584 /nfs/dbraw/zinc/82/05/84/700820584.db2.gz WWIGCNWTCCWHCN-HNNXBMFYSA-N 1 2 327.388 1.905 20 30 EDEDLO Cc1noc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)n1 ZINC000940685593 700845063 /nfs/dbraw/zinc/84/50/63/700845063.db2.gz DEQSHPVNDXTYCX-AWEZNQCLSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1noc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)n1 ZINC000940685593 700845065 /nfs/dbraw/zinc/84/50/65/700845065.db2.gz DEQSHPVNDXTYCX-AWEZNQCLSA-N 1 2 342.403 1.608 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3csc(=O)[nH]3)C2)c1 ZINC001031914294 700967158 /nfs/dbraw/zinc/96/71/58/700967158.db2.gz GGXMQDMQPOGECK-UHFFFAOYSA-N 1 2 346.387 1.721 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc[nH]2)cc1C#N ZINC001032274761 701120864 /nfs/dbraw/zinc/12/08/64/701120864.db2.gz MBMMGEQCGNOFID-HOTGVXAUSA-N 1 2 336.395 1.994 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc[nH]2)cc1C#N ZINC001032274761 701120865 /nfs/dbraw/zinc/12/08/65/701120865.db2.gz MBMMGEQCGNOFID-HOTGVXAUSA-N 1 2 336.395 1.994 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CC(N2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000941404234 701518732 /nfs/dbraw/zinc/51/87/32/701518732.db2.gz UUSSCZRLEKUJIV-UHFFFAOYSA-N 1 2 342.443 1.033 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(C)C)n(C)n3)CC2)C1 ZINC000941404976 701519461 /nfs/dbraw/zinc/51/94/61/701519461.db2.gz WTBKLMQFWNWECG-UHFFFAOYSA-N 1 2 343.475 1.009 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)c4ccccc4n3)CC2)C1 ZINC000941460777 701544324 /nfs/dbraw/zinc/54/43/24/701544324.db2.gz RYVBIBYUCZSLGI-UHFFFAOYSA-N 1 2 348.450 1.618 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC000944414541 701885496 /nfs/dbraw/zinc/88/54/96/701885496.db2.gz JLVNQCSBWDQQAG-AWEZNQCLSA-N 1 2 343.431 1.343 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC2(C1)CCN(C(=O)[C@@H](C)C#N)CC2 ZINC000944414420 701885553 /nfs/dbraw/zinc/88/55/53/701885553.db2.gz GXJQDPHNEISEBV-ZDUSSCGKSA-N 1 2 343.431 1.261 20 30 EDEDLO CCc1nc[nH]c1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032159576 701984861 /nfs/dbraw/zinc/98/48/61/701984861.db2.gz REWNHIRHWFOXCD-UHFFFAOYSA-N 1 2 341.390 1.845 20 30 EDEDLO CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC000995799973 702041762 /nfs/dbraw/zinc/04/17/62/702041762.db2.gz UBFVJCWGEFANPU-CQSZACIVSA-N 1 2 328.416 1.687 20 30 EDEDLO CCn1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)n1 ZINC000941928812 702154826 /nfs/dbraw/zinc/15/48/26/702154826.db2.gz HMBHJKODCDHTCC-SWLSCSKDSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)n1 ZINC000941928812 702154829 /nfs/dbraw/zinc/15/48/29/702154829.db2.gz HMBHJKODCDHTCC-SWLSCSKDSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)nn1 ZINC000941966365 702262644 /nfs/dbraw/zinc/26/26/44/702262644.db2.gz JCKFSHZGCFEPHQ-WFASDCNBSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1cc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)nn1 ZINC000941966365 702262647 /nfs/dbraw/zinc/26/26/47/702262647.db2.gz JCKFSHZGCFEPHQ-WFASDCNBSA-N 1 2 341.419 1.138 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C[C@H]1C ZINC000942130988 702634540 /nfs/dbraw/zinc/63/45/40/702634540.db2.gz QYHDQEGLDGMMBF-GDBMZVCRSA-N 1 2 342.447 1.443 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2cn(C)nn2)C[C@H]1C ZINC000942130988 702634543 /nfs/dbraw/zinc/63/45/43/702634543.db2.gz QYHDQEGLDGMMBF-GDBMZVCRSA-N 1 2 342.447 1.443 20 30 EDEDLO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3conc3CC)C2)nn1 ZINC001032041319 703194036 /nfs/dbraw/zinc/19/40/36/703194036.db2.gz IXJDWBIEEUNIRV-UHFFFAOYSA-N 1 2 344.419 1.266 20 30 EDEDLO O=C(C#CC1CC1)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795208 703378920 /nfs/dbraw/zinc/37/89/20/703378920.db2.gz HCSVWKJDOXJPBX-SHTZXODSSA-N 1 2 328.416 1.157 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cn3c(n2)CCC3)cc1 ZINC001032411759 703447609 /nfs/dbraw/zinc/44/76/09/703447609.db2.gz ZRSLNLVOHVZRAG-IRXDYDNUSA-N 1 2 347.422 1.800 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cn3c(n2)CCC3)cc1 ZINC001032411759 703447610 /nfs/dbraw/zinc/44/76/10/703447610.db2.gz ZRSLNLVOHVZRAG-IRXDYDNUSA-N 1 2 347.422 1.800 20 30 EDEDLO CCCCc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)n1 ZINC000995584137 704060575 /nfs/dbraw/zinc/06/05/75/704060575.db2.gz SIIPWGYQNNXXAA-STQMWFEESA-N 1 2 333.436 1.898 20 30 EDEDLO C=C(Br)CN1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004257935 704086027 /nfs/dbraw/zinc/08/60/27/704086027.db2.gz NKQROPHEGLRNIX-UHFFFAOYSA-N 1 2 327.226 1.372 20 30 EDEDLO CC(C)(C)n1nnc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004444693 704427183 /nfs/dbraw/zinc/42/71/83/704427183.db2.gz ZDYGBHILDOWEBN-CQSZACIVSA-N 1 2 345.451 1.268 20 30 EDEDLO CC(C)(C)n1nnc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004444693 704427184 /nfs/dbraw/zinc/42/71/84/704427184.db2.gz ZDYGBHILDOWEBN-CQSZACIVSA-N 1 2 345.451 1.268 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C(C)(C)C1 ZINC000995586004 704551135 /nfs/dbraw/zinc/55/11/35/704551135.db2.gz WOOXNEMEZCRGOO-RYUDHWBXSA-N 1 2 333.436 1.853 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC000944997614 704906032 /nfs/dbraw/zinc/90/60/32/704906032.db2.gz LSZIJJGNOZOBAT-UHFFFAOYSA-N 1 2 344.459 1.936 20 30 EDEDLO CCc1noc(C[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)n1 ZINC000995688581 705528863 /nfs/dbraw/zinc/52/88/63/705528863.db2.gz LONFBVVQPQVBMO-CYBMUJFWSA-N 1 2 342.403 1.472 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC000998749047 706183750 /nfs/dbraw/zinc/18/37/50/706183750.db2.gz AZSKNAUYKGVHIM-AAEUAGOBSA-N 1 2 329.360 1.570 20 30 EDEDLO COCc1noc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C#CC2CC2)n1 ZINC001004855902 707474485 /nfs/dbraw/zinc/47/44/85/707474485.db2.gz SLNNSAOVWBDHNK-ZFWWWQNUSA-N 1 2 346.431 1.489 20 30 EDEDLO CN(C(=O)[C@]1(F)CCOC1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033369198 707701863 /nfs/dbraw/zinc/70/18/63/707701863.db2.gz LXBJHLCQWURUNY-YJBOKZPZSA-N 1 2 349.381 1.859 20 30 EDEDLO CN(C(=O)[C@]1(F)CCOC1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033369198 707701868 /nfs/dbraw/zinc/70/18/68/707701868.db2.gz LXBJHLCQWURUNY-YJBOKZPZSA-N 1 2 349.381 1.859 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3cnsn3)C2)cn1 ZINC001000731063 708061917 /nfs/dbraw/zinc/06/19/17/708061917.db2.gz YAMBABNYGVKDOS-CQSZACIVSA-N 1 2 327.413 1.309 20 30 EDEDLO C#CCCCC(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001060990069 708106112 /nfs/dbraw/zinc/10/61/12/708106112.db2.gz UQOFHIULSMLMGP-UHFFFAOYSA-N 1 2 328.416 1.207 20 30 EDEDLO C[C@H](CC(=O)N1CC[C@H](CNc2cnc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001061001498 708139043 /nfs/dbraw/zinc/13/90/43/708139043.db2.gz OLPNNJNSCXVBIE-ZIAGYGMSSA-N 1 2 339.403 1.456 20 30 EDEDLO N#Cc1cnc(NC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)c(F)c1 ZINC001061016961 708181828 /nfs/dbraw/zinc/18/18/28/708181828.db2.gz FCVYXHRVOZSTIQ-GFCCVEGCSA-N 1 2 342.378 1.709 20 30 EDEDLO N#Cc1cnc(NC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)c(F)c1 ZINC001061016961 708181829 /nfs/dbraw/zinc/18/18/29/708181829.db2.gz FCVYXHRVOZSTIQ-GFCCVEGCSA-N 1 2 342.378 1.709 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001033543130 708203030 /nfs/dbraw/zinc/20/30/30/708203030.db2.gz IJIZGMSQXVYCHB-GXTWGEPZSA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001033543130 708203033 /nfs/dbraw/zinc/20/30/33/708203033.db2.gz IJIZGMSQXVYCHB-GXTWGEPZSA-N 1 2 331.254 1.854 20 30 EDEDLO Cc1cnc(C[NH+]2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)nc1 ZINC001005218258 708244436 /nfs/dbraw/zinc/24/44/36/708244436.db2.gz HTQZZCMODZFKHN-UHFFFAOYSA-N 1 2 338.415 1.721 20 30 EDEDLO C=C(Br)CN1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618038 708346419 /nfs/dbraw/zinc/34/64/19/708346419.db2.gz FDLAFIDYGJNEIO-GFCCVEGCSA-N 1 2 341.253 1.702 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061678400 708415081 /nfs/dbraw/zinc/41/50/81/708415081.db2.gz UBALKSHXXGHHOB-RBSFLKMASA-N 1 2 346.431 1.213 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061678400 708415082 /nfs/dbraw/zinc/41/50/82/708415082.db2.gz UBALKSHXXGHHOB-RBSFLKMASA-N 1 2 346.431 1.213 20 30 EDEDLO C=C(C)CCC(=O)N1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001061057268 708721739 /nfs/dbraw/zinc/72/17/39/708721739.db2.gz NIRAVJYGZIFPKD-UHFFFAOYSA-N 1 2 344.459 1.770 20 30 EDEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)C(C)(C)F)CC2)c1 ZINC001002227301 708734689 /nfs/dbraw/zinc/73/46/89/708734689.db2.gz GEVXPFATLXAXMW-UHFFFAOYSA-N 1 2 345.418 1.935 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001033802305 708795978 /nfs/dbraw/zinc/79/59/78/708795978.db2.gz SISVUVDLKCJZHK-AWEZNQCLSA-N 1 2 344.444 1.783 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001033802305 708795981 /nfs/dbraw/zinc/79/59/81/708795981.db2.gz SISVUVDLKCJZHK-AWEZNQCLSA-N 1 2 344.444 1.783 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001033893949 709009493 /nfs/dbraw/zinc/00/94/93/709009493.db2.gz TXGGANYSPCQWAM-HOTGVXAUSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001033893949 709009497 /nfs/dbraw/zinc/00/94/97/709009497.db2.gz TXGGANYSPCQWAM-HOTGVXAUSA-N 1 2 341.883 1.920 20 30 EDEDLO Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001002628758 709204602 /nfs/dbraw/zinc/20/46/02/709204602.db2.gz ZKBHXNZKMURCOC-SNVBAGLBSA-N 1 2 328.376 1.533 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cncnc2)CC1 ZINC001002652643 709228953 /nfs/dbraw/zinc/22/89/53/709228953.db2.gz PSBIZQOIQSUGJG-UHFFFAOYSA-N 1 2 325.210 1.579 20 30 EDEDLO Cc1nc(CC(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)n[nH]1 ZINC001002774657 709381772 /nfs/dbraw/zinc/38/17/72/709381772.db2.gz HPXYXYRAUWHGPS-UHFFFAOYSA-N 1 2 338.415 1.308 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001002795312 709403417 /nfs/dbraw/zinc/40/34/17/709403417.db2.gz XHUCFYMOMYGQBG-CQSZACIVSA-N 1 2 330.432 1.232 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nccn2C)C1 ZINC001034212253 709563035 /nfs/dbraw/zinc/56/30/35/709563035.db2.gz ITAONAJWIBJINV-ZACQAIPSSA-N 1 2 346.475 1.872 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nccn2C)C1 ZINC001034212253 709563041 /nfs/dbraw/zinc/56/30/41/709563041.db2.gz ITAONAJWIBJINV-ZACQAIPSSA-N 1 2 346.475 1.872 20 30 EDEDLO CN(c1[nH+]cnc2c1cnn2C)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001061207285 709684080 /nfs/dbraw/zinc/68/40/80/709684080.db2.gz FTUIMMVREATFIT-AWEZNQCLSA-N 1 2 338.415 1.204 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001003030429 709838013 /nfs/dbraw/zinc/83/80/13/709838013.db2.gz QPPRVAVXFCBAPU-UHFFFAOYSA-N 1 2 331.445 1.920 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)[nH]1 ZINC001003035202 709847940 /nfs/dbraw/zinc/84/79/40/709847940.db2.gz WFISFZLEEMKDST-UHFFFAOYSA-N 1 2 348.366 1.265 20 30 EDEDLO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001034404749 709952852 /nfs/dbraw/zinc/95/28/52/709952852.db2.gz LIBMOAHUGGYRRX-OAHLLOKOSA-N 1 2 330.432 1.488 20 30 EDEDLO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001034404749 709952855 /nfs/dbraw/zinc/95/28/55/709952855.db2.gz LIBMOAHUGGYRRX-OAHLLOKOSA-N 1 2 330.432 1.488 20 30 EDEDLO CN(c1ccc(C#N)cn1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001061281005 710421323 /nfs/dbraw/zinc/42/13/23/710421323.db2.gz LDUDLSQZUREJDR-MRXNPFEDSA-N 1 2 338.415 1.736 20 30 EDEDLO CN(c1ccc(C#N)cn1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001061281005 710421325 /nfs/dbraw/zinc/42/13/25/710421325.db2.gz LDUDLSQZUREJDR-MRXNPFEDSA-N 1 2 338.415 1.736 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001032919775 710766657 /nfs/dbraw/zinc/76/66/57/710766657.db2.gz OMDNPJDGHOTUMP-JTQLQIEISA-N 1 2 333.442 1.818 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001032919775 710766661 /nfs/dbraw/zinc/76/66/61/710766661.db2.gz OMDNPJDGHOTUMP-JTQLQIEISA-N 1 2 333.442 1.818 20 30 EDEDLO CN(C(=O)c1cncnc1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033034131 711485517 /nfs/dbraw/zinc/48/55/17/711485517.db2.gz UTYXKMIDSFXEHX-MRXNPFEDSA-N 1 2 339.374 1.834 20 30 EDEDLO CN(C(=O)c1cncnc1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033034131 711485518 /nfs/dbraw/zinc/48/55/18/711485518.db2.gz UTYXKMIDSFXEHX-MRXNPFEDSA-N 1 2 339.374 1.834 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](N(C)C(=O)c3ccns3)C2)C1=O ZINC001033128500 711879348 /nfs/dbraw/zinc/87/93/48/711879348.db2.gz SSBYBHFAYBFDAY-CHWSQXEVSA-N 1 2 334.445 1.076 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N(C)C(=O)c3ccns3)C2)C1=O ZINC001033128500 711879351 /nfs/dbraw/zinc/87/93/51/711879351.db2.gz SSBYBHFAYBFDAY-CHWSQXEVSA-N 1 2 334.445 1.076 20 30 EDEDLO CC1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CC1 ZINC001004577652 712005537 /nfs/dbraw/zinc/00/55/37/712005537.db2.gz IMUMTGXXJICTBZ-QGZVFWFLSA-N 1 2 346.475 1.471 20 30 EDEDLO CC1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CC1 ZINC001004577652 712005538 /nfs/dbraw/zinc/00/55/38/712005538.db2.gz IMUMTGXXJICTBZ-QGZVFWFLSA-N 1 2 346.475 1.471 20 30 EDEDLO Cn1nc2c(c1C(=O)N1CCC([C@@H]3CCC[N@@H+]3CC#N)CC1)CCC2 ZINC001004596189 712036277 /nfs/dbraw/zinc/03/62/77/712036277.db2.gz KPTXDYHIHUPQLC-KRWDZBQOSA-N 1 2 341.459 1.749 20 30 EDEDLO Cn1nc2c(c1C(=O)N1CCC([C@@H]3CCC[N@H+]3CC#N)CC1)CCC2 ZINC001004596189 712036279 /nfs/dbraw/zinc/03/62/79/712036279.db2.gz KPTXDYHIHUPQLC-KRWDZBQOSA-N 1 2 341.459 1.749 20 30 EDEDLO CC[C@H]1CCCN1C(=O)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004596211 712036291 /nfs/dbraw/zinc/03/62/91/712036291.db2.gz KTPXMDXAMQWBLL-IRXDYDNUSA-N 1 2 346.475 1.614 20 30 EDEDLO CC[C@H]1CCCN1C(=O)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004596211 712036292 /nfs/dbraw/zinc/03/62/92/712036292.db2.gz KTPXMDXAMQWBLL-IRXDYDNUSA-N 1 2 346.475 1.614 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC001004622578 712069102 /nfs/dbraw/zinc/06/91/02/712069102.db2.gz NXAUEZWIIVDXHI-QGZVFWFLSA-N 1 2 340.427 1.626 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC001004622578 712069104 /nfs/dbraw/zinc/06/91/04/712069104.db2.gz NXAUEZWIIVDXHI-QGZVFWFLSA-N 1 2 340.427 1.626 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 ZINC001004622769 712069658 /nfs/dbraw/zinc/06/96/58/712069658.db2.gz ZRNGBXYYSHXYDR-CQSZACIVSA-N 1 2 346.456 1.687 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 ZINC001004622769 712069659 /nfs/dbraw/zinc/06/96/59/712069659.db2.gz ZRNGBXYYSHXYDR-CQSZACIVSA-N 1 2 346.456 1.687 20 30 EDEDLO CCc1ncncc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004615922 712075942 /nfs/dbraw/zinc/07/59/42/712075942.db2.gz JOWMXWZCJOOQMM-KRWDZBQOSA-N 1 2 327.432 1.879 20 30 EDEDLO CCc1ncncc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004615922 712075944 /nfs/dbraw/zinc/07/59/44/712075944.db2.gz JOWMXWZCJOOQMM-KRWDZBQOSA-N 1 2 327.432 1.879 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001061548400 712354856 /nfs/dbraw/zinc/35/48/56/712354856.db2.gz LLNNQOJKQHQTAQ-CQSZACIVSA-N 1 2 334.420 1.042 20 30 EDEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329229680 539421372 /nfs/dbraw/zinc/42/13/72/539421372.db2.gz JMBZIWCICKJFOL-BZUAXINKSA-N 1 2 346.431 1.454 20 30 EDEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000329414796 539434723 /nfs/dbraw/zinc/43/47/23/539434723.db2.gz FDVPYMZYZWDPPL-ZDUSSCGKSA-N 1 2 333.436 1.589 20 30 EDEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCc2cccnc21 ZINC000329409505 539434759 /nfs/dbraw/zinc/43/47/59/539434759.db2.gz XUHYBJACNNNQEY-MRXNPFEDSA-N 1 2 341.415 1.928 20 30 EDEDLO O=C(NCCOC1CCCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329735557 539461077 /nfs/dbraw/zinc/46/10/77/539461077.db2.gz LASTWRZAIVUXBG-OAHLLOKOSA-N 1 2 325.453 1.656 20 30 EDEDLO Cc1ccn2cc(CNC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)nc2c1 ZINC000329732018 539461160 /nfs/dbraw/zinc/46/11/60/539461160.db2.gz INDQSXDHNSQPSE-MRXNPFEDSA-N 1 2 343.431 1.463 20 30 EDEDLO [O-]C(=[NH+]C[C@H]1CCN(CC(F)(F)F)C1)N1CCn2cc[nH+]c2C1 ZINC000329863641 539470797 /nfs/dbraw/zinc/47/07/97/539470797.db2.gz ZGWXXDKZVJHHPF-LLVKDONJSA-N 1 2 331.342 1.497 20 30 EDEDLO C[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)sc2C1 ZINC000028813046 283175346 /nfs/dbraw/zinc/17/53/46/283175346.db2.gz NODYXKVDTXCWPY-UHFFFAOYSA-N 1 2 335.345 1.776 20 30 EDEDLO C[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)sc2C1 ZINC000028813046 283175347 /nfs/dbraw/zinc/17/53/47/283175347.db2.gz NODYXKVDTXCWPY-UHFFFAOYSA-N 1 2 335.345 1.776 20 30 EDEDLO N#C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000106047732 237075599 /nfs/dbraw/zinc/07/55/99/237075599.db2.gz LWYHPFMYWMPNCI-GFCCVEGCSA-N 1 2 327.300 1.145 20 30 EDEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000174115431 237275905 /nfs/dbraw/zinc/27/59/05/237275905.db2.gz QNIWOWDAJWKGMH-CQSZACIVSA-N 1 2 343.387 1.261 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000274006478 201263542 /nfs/dbraw/zinc/26/35/42/201263542.db2.gz AAYSITQAVPJODM-UHFFFAOYSA-N 1 2 341.455 1.437 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000274006478 201263545 /nfs/dbraw/zinc/26/35/45/201263545.db2.gz AAYSITQAVPJODM-UHFFFAOYSA-N 1 2 341.455 1.437 20 30 EDEDLO C=CCNC(=O)CNc1cc(N[C@@H]2CCCO[C@@H]2C(C)C)[nH+]cn1 ZINC000275806776 201287690 /nfs/dbraw/zinc/28/76/90/201287690.db2.gz VASYICAJPYUOHJ-CXAGYDPISA-N 1 2 333.436 1.806 20 30 EDEDLO C=CCNC(=O)CNc1cc(N[C@@H]2CCCO[C@@H]2C(C)C)nc[nH+]1 ZINC000275806776 201287693 /nfs/dbraw/zinc/28/76/93/201287693.db2.gz VASYICAJPYUOHJ-CXAGYDPISA-N 1 2 333.436 1.806 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(C#N)s1)C2 ZINC000566742684 306427239 /nfs/dbraw/zinc/42/72/39/306427239.db2.gz XCQULSDUCZPTAG-LLVKDONJSA-N 1 2 330.413 1.404 20 30 EDEDLO C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101728681 204020279 /nfs/dbraw/zinc/02/02/79/204020279.db2.gz MLQXYCYFZCAAFJ-NVXWUHKLSA-N 1 2 342.443 1.364 20 30 EDEDLO C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000105301478 204142125 /nfs/dbraw/zinc/14/21/25/204142125.db2.gz FPGJCUVRTGCQCX-HUUCEWRRSA-N 1 2 330.432 1.809 20 30 EDEDLO CCOCC[NH+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000111345647 204352731 /nfs/dbraw/zinc/35/27/31/204352731.db2.gz OAOFMPWKEQRSFT-UHFFFAOYSA-N 1 2 337.445 1.042 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155874787 205044780 /nfs/dbraw/zinc/04/47/80/205044780.db2.gz CHHDKBLQQPATKH-UHFFFAOYSA-N 1 2 345.369 1.212 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155874787 205044785 /nfs/dbraw/zinc/04/47/85/205044785.db2.gz CHHDKBLQQPATKH-UHFFFAOYSA-N 1 2 345.369 1.212 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000156734831 206096322 /nfs/dbraw/zinc/09/63/22/206096322.db2.gz FIYYWWBWXFZTLL-RDJZCZTQSA-N 1 2 329.400 1.573 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000156734831 206096326 /nfs/dbraw/zinc/09/63/26/206096326.db2.gz FIYYWWBWXFZTLL-RDJZCZTQSA-N 1 2 329.400 1.573 20 30 EDEDLO CC(C)Oc1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1C#N ZINC000157859524 206160086 /nfs/dbraw/zinc/16/00/86/206160086.db2.gz OQYKTMDIVXHBFZ-UHFFFAOYSA-N 1 2 332.404 1.799 20 30 EDEDLO N#Cc1cc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)ccc1F ZINC000160597364 206306305 /nfs/dbraw/zinc/30/63/05/206306305.db2.gz APIWSOCPGBLJPN-UHFFFAOYSA-N 1 2 344.434 1.827 20 30 EDEDLO N#Cc1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000568388907 306480757 /nfs/dbraw/zinc/48/07/57/306480757.db2.gz CIFIDAOCACNLDB-OAHLLOKOSA-N 1 2 329.404 1.672 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NC3CC[NH2+]CC3)cc2[nH]c1=S ZINC000269101057 249376482 /nfs/dbraw/zinc/37/64/82/249376482.db2.gz BYUHKNDNLUULHF-UHFFFAOYSA-N 1 2 344.440 1.353 20 30 EDEDLO C=CCOC[C@H]1NC(=O)N(Cc2cc[nH+]c(N3CCCCC3)c2)C1=O ZINC000348506873 250056126 /nfs/dbraw/zinc/05/61/26/250056126.db2.gz PQPLPHFSZHWXOC-OAHLLOKOSA-N 1 2 344.415 1.695 20 30 EDEDLO COc1cnc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000351821935 250066074 /nfs/dbraw/zinc/06/60/74/250066074.db2.gz LEDLKOASJTWYDL-UHFFFAOYSA-N 1 2 339.421 1.231 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C(C)(C)c1cc(C(=O)OC)on1 ZINC000352035983 250068525 /nfs/dbraw/zinc/06/85/25/250068525.db2.gz CSCGGSWWCPTYIZ-NSHDSACASA-N 1 2 336.392 1.294 20 30 EDEDLO Cn1nc2ccccc2c1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000355285577 250110214 /nfs/dbraw/zinc/11/02/14/250110214.db2.gz DRHJLSDYEUJXCM-UHFFFAOYSA-N 1 2 341.415 1.261 20 30 EDEDLO C=CCNC(=O)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000367768682 250195141 /nfs/dbraw/zinc/19/51/41/250195141.db2.gz LYYOILLGMDYOAL-OAHLLOKOSA-N 1 2 345.378 1.250 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CC)OC2CCCC2)CC1 ZINC000374221685 250256460 /nfs/dbraw/zinc/25/64/60/250256460.db2.gz BKRNNJQUFGFZEJ-QGZVFWFLSA-N 1 2 349.475 1.008 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CC)OC2CCCC2)CC1 ZINC000374221685 250256465 /nfs/dbraw/zinc/25/64/65/250256465.db2.gz BKRNNJQUFGFZEJ-QGZVFWFLSA-N 1 2 349.475 1.008 20 30 EDEDLO N#CCOc1cccc(CC(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)c1 ZINC000374389252 250261687 /nfs/dbraw/zinc/26/16/87/250261687.db2.gz MJOWBAYGCGMGTG-GOSISDBHSA-N 1 2 336.395 1.700 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000253376524 139206273 /nfs/dbraw/zinc/20/62/73/139206273.db2.gz UEUHHZWKRBVYDP-HNNXBMFYSA-N 1 2 342.443 1.222 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000253376524 139206274 /nfs/dbraw/zinc/20/62/74/139206274.db2.gz UEUHHZWKRBVYDP-HNNXBMFYSA-N 1 2 342.443 1.222 20 30 EDEDLO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)ccc1C#N ZINC000262393420 139275754 /nfs/dbraw/zinc/27/57/54/139275754.db2.gz ZAHRTNNAYSOBKJ-KRWDZBQOSA-N 1 2 342.424 1.597 20 30 EDEDLO CC1(C)C(=O)N[C@@H]1C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000570341620 306538223 /nfs/dbraw/zinc/53/82/23/306538223.db2.gz LQOJXSUAYSQMQW-JKSUJKDBSA-N 1 2 340.427 1.321 20 30 EDEDLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000263777161 139359760 /nfs/dbraw/zinc/35/97/60/139359760.db2.gz XVGZOWJBYNPNQJ-HOTGVXAUSA-N 1 2 342.443 1.316 20 30 EDEDLO C=CCn1cccc1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000488786181 255054484 /nfs/dbraw/zinc/05/44/84/255054484.db2.gz UUUCODMXMOVQHP-UHFFFAOYSA-N 1 2 344.459 1.348 20 30 EDEDLO C#CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000490763391 255105776 /nfs/dbraw/zinc/10/57/76/255105776.db2.gz QQCIFHAWRDTPBA-INIZCTEOSA-N 1 2 334.441 1.011 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cn2nc(N(C)C)sc2=S)CC1 ZINC000491676370 255139224 /nfs/dbraw/zinc/13/92/24/255139224.db2.gz WFKIMNUQCWFXEK-UHFFFAOYSA-N 1 2 339.490 1.159 20 30 EDEDLO Cc1cnccc1/C=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000493203676 255196567 /nfs/dbraw/zinc/19/65/67/255196567.db2.gz IIKCBTCHHSZNIW-ONEGZZNKSA-N 1 2 328.416 1.478 20 30 EDEDLO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000494467724 255251625 /nfs/dbraw/zinc/25/16/25/255251625.db2.gz RSBVZPLDHWYTQJ-UHFFFAOYSA-N 1 2 331.416 1.636 20 30 EDEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)C1 ZINC000269953891 140024253 /nfs/dbraw/zinc/02/42/53/140024253.db2.gz JUVFMJPRFZFLTO-HOTGVXAUSA-N 1 2 341.459 1.580 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000347083764 143280574 /nfs/dbraw/zinc/28/05/74/143280574.db2.gz LKTJYFMMQXNTAJ-MSOLQXFVSA-N 1 2 336.395 1.771 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000347083764 143280575 /nfs/dbraw/zinc/28/05/75/143280575.db2.gz LKTJYFMMQXNTAJ-MSOLQXFVSA-N 1 2 336.395 1.771 20 30 EDEDLO CS(=O)(=O)c1ccc(F)c(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352885444 149202540 /nfs/dbraw/zinc/20/25/40/149202540.db2.gz FEILUTIXLPFGNK-UHFFFAOYSA-N 1 2 325.390 1.847 20 30 EDEDLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000363560989 153000416 /nfs/dbraw/zinc/00/04/16/153000416.db2.gz YJJUYBMTESWGAF-UHFFFAOYSA-N 1 2 337.383 1.132 20 30 EDEDLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000363560989 153000418 /nfs/dbraw/zinc/00/04/18/153000418.db2.gz YJJUYBMTESWGAF-UHFFFAOYSA-N 1 2 337.383 1.132 20 30 EDEDLO C[NH+]1CCN(C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3C#N)C2)CC1 ZINC000364657807 153295759 /nfs/dbraw/zinc/29/57/59/153295759.db2.gz RMPBPJMXIRTCOY-HNNXBMFYSA-N 1 2 343.431 1.930 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1Cl ZINC000364965689 153384863 /nfs/dbraw/zinc/38/48/63/153384863.db2.gz ZJZKRWLYFFJLAB-RBOXIYTFSA-N 1 2 346.818 1.736 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1Cl ZINC000364965689 153384865 /nfs/dbraw/zinc/38/48/65/153384865.db2.gz ZJZKRWLYFFJLAB-RBOXIYTFSA-N 1 2 346.818 1.736 20 30 EDEDLO CCNC(=O)NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000367592494 154191288 /nfs/dbraw/zinc/19/12/88/154191288.db2.gz CPEMEIVOXHUSNX-UHFFFAOYSA-N 1 2 348.378 1.386 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000369515307 155065808 /nfs/dbraw/zinc/06/58/08/155065808.db2.gz INJGFMMJJJWLIJ-CQSZACIVSA-N 1 2 340.383 1.521 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)o1 ZINC000376273178 157757271 /nfs/dbraw/zinc/75/72/71/157757271.db2.gz FUXSRVFPMMUUIY-UHFFFAOYSA-N 1 2 332.385 1.494 20 30 EDEDLO CCn1cc[nH+]c1CN1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000378474808 158184296 /nfs/dbraw/zinc/18/42/96/158184296.db2.gz NRXHOXJMVGLQMT-UHFFFAOYSA-N 1 2 326.404 1.451 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc4n(n3)CCC4)CC2)cc1 ZINC000294392717 270011130 /nfs/dbraw/zinc/01/11/30/270011130.db2.gz OQRVJFHYWOYRAJ-UHFFFAOYSA-N 1 2 335.411 1.659 20 30 EDEDLO N#Cc1ccc(/C=C\C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1 ZINC000492318723 270014801 /nfs/dbraw/zinc/01/48/01/270014801.db2.gz IXJQKVOSLSTXNB-OSJSJHBBSA-N 1 2 339.395 1.468 20 30 EDEDLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 ZINC000293631995 266278920 /nfs/dbraw/zinc/27/89/20/266278920.db2.gz ZKONWXOZKZKUBJ-UHFFFAOYSA-N 1 2 341.408 1.040 20 30 EDEDLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292364505 267132564 /nfs/dbraw/zinc/13/25/64/267132564.db2.gz YDXVRPDGCHUZJY-PWSUYJOCSA-N 1 2 342.321 1.473 20 30 EDEDLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292364505 267132566 /nfs/dbraw/zinc/13/25/66/267132566.db2.gz YDXVRPDGCHUZJY-PWSUYJOCSA-N 1 2 342.321 1.473 20 30 EDEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292312130 267142295 /nfs/dbraw/zinc/14/22/95/267142295.db2.gz VJGYTISFXITSHR-TZMCWYRMSA-N 1 2 338.371 1.224 20 30 EDEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292312130 267142298 /nfs/dbraw/zinc/14/22/98/267142298.db2.gz VJGYTISFXITSHR-TZMCWYRMSA-N 1 2 338.371 1.224 20 30 EDEDLO C[C@H](O)c1ncc(C[NH+]2CCN(c3ncccc3C#N)CC2)s1 ZINC000288997343 267196155 /nfs/dbraw/zinc/19/61/55/267196155.db2.gz DQGLFSGQZQIMOV-LBPRGKRZSA-N 1 2 329.429 1.785 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000280938125 267206997 /nfs/dbraw/zinc/20/69/97/267206997.db2.gz PJMYUDQTAMLSBX-HDMKZQKVSA-N 1 2 340.427 1.466 20 30 EDEDLO C[C@H]1[C@H](O)CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000296187862 267254778 /nfs/dbraw/zinc/25/47/78/267254778.db2.gz LONJEPVCBBCMCN-XJKSGUPXSA-N 1 2 339.399 1.528 20 30 EDEDLO C[C@H]1[C@H](O)CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000296187862 267254782 /nfs/dbraw/zinc/25/47/82/267254782.db2.gz LONJEPVCBBCMCN-XJKSGUPXSA-N 1 2 339.399 1.528 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(C#N)c1Br ZINC000516476825 267281861 /nfs/dbraw/zinc/28/18/61/267281861.db2.gz XRIHFQSWNXMVSQ-AWEZNQCLSA-N 1 2 335.205 1.894 20 30 EDEDLO Cc1cc(C#N)nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1 ZINC000287735436 267316035 /nfs/dbraw/zinc/31/60/35/267316035.db2.gz LVQMBWFABFWRMM-MSOLQXFVSA-N 1 2 335.411 1.746 20 30 EDEDLO Cc1cc(C#N)nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1 ZINC000287735436 267316037 /nfs/dbraw/zinc/31/60/37/267316037.db2.gz LVQMBWFABFWRMM-MSOLQXFVSA-N 1 2 335.411 1.746 20 30 EDEDLO Cn1cc(C[N@@H+]2CCN(C)[C@H](c3nc(C4CC4)no3)C2)cc1C#N ZINC000285530081 267794679 /nfs/dbraw/zinc/79/46/79/267794679.db2.gz PCRUBRJMLCQWAL-HNNXBMFYSA-N 1 2 326.404 1.646 20 30 EDEDLO Cn1cc(C[N@H+]2CCN(C)[C@H](c3nc(C4CC4)no3)C2)cc1C#N ZINC000285530081 267794683 /nfs/dbraw/zinc/79/46/83/267794683.db2.gz PCRUBRJMLCQWAL-HNNXBMFYSA-N 1 2 326.404 1.646 20 30 EDEDLO Cc1nn(C)c(N2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)c1C#N ZINC000517154917 268089708 /nfs/dbraw/zinc/08/97/08/268089708.db2.gz SYINNHTUPVRQCN-ZDUSSCGKSA-N 1 2 341.419 1.097 20 30 EDEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3cccnc3C#N)CC2)C1 ZINC000274001915 268095836 /nfs/dbraw/zinc/09/58/36/268095836.db2.gz JUJRFWQOWPDMNU-HZPDHXFCSA-N 1 2 341.459 1.580 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCOC[C@H](C3CCC3)C2)nc1 ZINC000292210027 268188744 /nfs/dbraw/zinc/18/87/44/268188744.db2.gz TXBLGSYINCHLKH-MRXNPFEDSA-N 1 2 349.456 1.475 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCOC[C@H](C3CCC3)C2)nc1 ZINC000292210027 268188746 /nfs/dbraw/zinc/18/87/46/268188746.db2.gz TXBLGSYINCHLKH-MRXNPFEDSA-N 1 2 349.456 1.475 20 30 EDEDLO N#Cc1ccnc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000283028851 268289809 /nfs/dbraw/zinc/28/98/09/268289809.db2.gz QYLHGPLJCQGMMR-UHFFFAOYSA-N 1 2 336.395 1.715 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284337446 268308822 /nfs/dbraw/zinc/30/88/22/268308822.db2.gz QWFLCNHEIGIHGK-JTQLQIEISA-N 1 2 333.373 1.114 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284337446 268308825 /nfs/dbraw/zinc/30/88/25/268308825.db2.gz QWFLCNHEIGIHGK-JTQLQIEISA-N 1 2 333.373 1.114 20 30 EDEDLO Cc1noc([C@@]2(O)CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000277453555 273199738 /nfs/dbraw/zinc/19/97/38/273199738.db2.gz OLDGGIYOZKRLAS-APPDUMDISA-N 1 2 341.371 1.170 20 30 EDEDLO Cc1noc([C@@]2(O)CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000277453555 273199740 /nfs/dbraw/zinc/19/97/40/273199740.db2.gz OLDGGIYOZKRLAS-APPDUMDISA-N 1 2 341.371 1.170 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000106584048 274218874 /nfs/dbraw/zinc/21/88/74/274218874.db2.gz GGAXNZULEFHHLU-LBPRGKRZSA-N 1 2 335.839 1.969 20 30 EDEDLO CC(C)(C)NC(=O)CN(Cc1cn2c([nH+]1)CCCC2)S(C)(=O)=O ZINC000328634879 278283373 /nfs/dbraw/zinc/28/33/73/278283373.db2.gz UKCCKOGGCHYSIG-UHFFFAOYSA-N 1 2 342.465 1.736 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876000 279214444 /nfs/dbraw/zinc/21/44/44/279214444.db2.gz XCYMVYMOERGONB-UONOGXRCSA-N 1 2 348.413 1.811 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876000 279214446 /nfs/dbraw/zinc/21/44/46/279214446.db2.gz XCYMVYMOERGONB-UONOGXRCSA-N 1 2 348.413 1.811 20 30 EDEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000164790168 302937627 /nfs/dbraw/zinc/93/76/27/302937627.db2.gz SBSXZCAPOYDPSV-UHFFFAOYSA-N 1 2 336.392 1.746 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)n3C)c[nH+]2)CCO1 ZINC000448710478 447345386 /nfs/dbraw/zinc/34/53/86/447345386.db2.gz UIMJLVJNXMWXFK-CYBMUJFWSA-N 1 2 339.399 1.447 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000458472156 447379179 /nfs/dbraw/zinc/37/91/79/447379179.db2.gz HOVVQFOJQDFIEB-KBPBESRZSA-N 1 2 348.451 1.113 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000458472156 447379183 /nfs/dbraw/zinc/37/91/83/447379183.db2.gz HOVVQFOJQDFIEB-KBPBESRZSA-N 1 2 348.451 1.113 20 30 EDEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000449744157 447391708 /nfs/dbraw/zinc/39/17/08/447391708.db2.gz FGAOOOUKPVNCAX-CQSZACIVSA-N 1 2 326.404 1.442 20 30 EDEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000449744157 447391712 /nfs/dbraw/zinc/39/17/12/447391712.db2.gz FGAOOOUKPVNCAX-CQSZACIVSA-N 1 2 326.404 1.442 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000043862976 440805021 /nfs/dbraw/zinc/80/50/21/440805021.db2.gz BJXYGNCMUSXRII-HNNXBMFYSA-N 1 2 330.432 1.820 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(C)n(-c3ccccc3)c2=S)CC1 ZINC000044756497 440885554 /nfs/dbraw/zinc/88/55/54/440885554.db2.gz BSNKYSZRCLYMMK-UHFFFAOYSA-N 1 2 327.457 1.920 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000045311403 440972271 /nfs/dbraw/zinc/97/22/71/440972271.db2.gz HBKWOQRKPYIXPJ-UHFFFAOYSA-N 1 2 332.429 1.438 20 30 EDEDLO COc1ccc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)c(OC)c1 ZINC000007017718 441031076 /nfs/dbraw/zinc/03/10/76/441031076.db2.gz PPNVGSLBCMZXEG-SFHVURJKSA-N 1 2 331.416 1.944 20 30 EDEDLO COc1ccc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)c(OC)c1 ZINC000007017718 441031082 /nfs/dbraw/zinc/03/10/82/441031082.db2.gz PPNVGSLBCMZXEG-SFHVURJKSA-N 1 2 331.416 1.944 20 30 EDEDLO N#CC1CCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CC1 ZINC000057875038 441140229 /nfs/dbraw/zinc/14/02/29/441140229.db2.gz HWVUVOLTHZLKLJ-UHFFFAOYSA-N 1 2 333.461 1.913 20 30 EDEDLO CN(C)c1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000047046139 441151842 /nfs/dbraw/zinc/15/18/42/441151842.db2.gz ORLGCLQWGGDEIG-UHFFFAOYSA-N 1 2 349.438 1.977 20 30 EDEDLO COC(=O)c1oc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1C ZINC000060480558 441246236 /nfs/dbraw/zinc/24/62/36/441246236.db2.gz DAFZESPQTKCDNC-UHFFFAOYSA-N 1 2 340.383 1.964 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(Cl)cc1 ZINC000060633709 441254251 /nfs/dbraw/zinc/25/42/51/441254251.db2.gz NFLNMVPUHOJXIS-UHFFFAOYSA-N 1 2 335.835 1.957 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H](O)c3ccccc3)CC2)cc1 ZINC000072843793 441269180 /nfs/dbraw/zinc/26/91/80/441269180.db2.gz VBRKDPSBFNHEFS-LJQANCHMSA-N 1 2 335.407 1.936 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000061513051 441275258 /nfs/dbraw/zinc/27/52/58/441275258.db2.gz RDXMJYNLJWPYMI-UHFFFAOYSA-N 1 2 348.428 1.157 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc(CC(F)(F)F)no1 ZINC000081547466 441287275 /nfs/dbraw/zinc/28/72/75/441287275.db2.gz ITQXXSGBANRQOC-UHFFFAOYSA-N 1 2 347.341 1.222 20 30 EDEDLO C=CCOc1ccccc1C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000106030665 441323531 /nfs/dbraw/zinc/32/35/31/441323531.db2.gz KUPNJOOIHQBLCW-UHFFFAOYSA-N 1 2 340.427 1.943 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000073643811 441337586 /nfs/dbraw/zinc/33/75/86/441337586.db2.gz RZKDCAOFGRHRBQ-SWKXRBFHSA-N 1 2 336.480 1.762 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000073643811 441337589 /nfs/dbraw/zinc/33/75/89/441337589.db2.gz RZKDCAOFGRHRBQ-SWKXRBFHSA-N 1 2 336.480 1.762 20 30 EDEDLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073647714 441338348 /nfs/dbraw/zinc/33/83/48/441338348.db2.gz XMDHTBVUZANIFE-CABCVRRESA-N 1 2 329.448 1.769 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000051119647 441398509 /nfs/dbraw/zinc/39/85/09/441398509.db2.gz UKXOOMFIKWVVGL-MRXNPFEDSA-N 1 2 344.459 1.825 20 30 EDEDLO N#Cc1ccc(NCC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000064722639 441390128 /nfs/dbraw/zinc/39/01/28/441390128.db2.gz YXXLEHFAHYXNOV-UHFFFAOYSA-N 1 2 335.411 1.710 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083176613 441352869 /nfs/dbraw/zinc/35/28/69/441352869.db2.gz CQIPKMRQCPKQOB-UONOGXRCSA-N 1 2 346.456 1.716 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083176613 441352873 /nfs/dbraw/zinc/35/28/73/441352873.db2.gz CQIPKMRQCPKQOB-UONOGXRCSA-N 1 2 346.456 1.716 20 30 EDEDLO N#CCc1cccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000049652199 441361090 /nfs/dbraw/zinc/36/10/90/441361090.db2.gz CEGZMVHAVWJOTO-UHFFFAOYSA-N 1 2 336.395 1.914 20 30 EDEDLO Cc1c[nH+]ccc1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000107292651 441407274 /nfs/dbraw/zinc/40/72/74/441407274.db2.gz YTNPECGBCAOYBP-UHFFFAOYSA-N 1 2 329.381 1.815 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000028640388 441435094 /nfs/dbraw/zinc/43/50/94/441435094.db2.gz PBQRXHFDRSNGNA-UHFFFAOYSA-N 1 2 335.835 1.086 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000028640388 441435096 /nfs/dbraw/zinc/43/50/96/441435096.db2.gz PBQRXHFDRSNGNA-UHFFFAOYSA-N 1 2 335.835 1.086 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccoc3C)n(C)c2=S)CC1 ZINC000074171460 441402903 /nfs/dbraw/zinc/40/29/03/441402903.db2.gz VQHSTQVXISZVRM-UHFFFAOYSA-N 1 2 331.445 1.728 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000065971579 441496930 /nfs/dbraw/zinc/49/69/30/441496930.db2.gz IPGXNONRTSKEKI-UHFFFAOYSA-N 1 2 337.401 1.233 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCCCC(=O)OCC)Cc1ccc(F)cc1 ZINC000065958401 441497484 /nfs/dbraw/zinc/49/74/84/441497484.db2.gz WESMGORYWXAZEG-UHFFFAOYSA-N 1 2 334.391 1.720 20 30 EDEDLO C#CC[N@H+](CC(=O)NCCCC(=O)OCC)Cc1ccc(F)cc1 ZINC000065958401 441497487 /nfs/dbraw/zinc/49/74/87/441497487.db2.gz WESMGORYWXAZEG-UHFFFAOYSA-N 1 2 334.391 1.720 20 30 EDEDLO C[C@@H](C#N)CN(C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000066469845 441534226 /nfs/dbraw/zinc/53/42/26/441534226.db2.gz PEVWGYBLCHSHAA-INIZCTEOSA-N 1 2 344.459 1.226 20 30 EDEDLO C=CCN(Cc1[nH+]ccn1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000066560137 441543680 /nfs/dbraw/zinc/54/36/80/441543680.db2.gz VUOCANCABSFZFG-LLVKDONJSA-N 1 2 337.367 1.621 20 30 EDEDLO C[N@H+](CCN1CCCC1=O)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075741092 441553826 /nfs/dbraw/zinc/55/38/26/441553826.db2.gz RPDOERDPSNXPSJ-UHFFFAOYSA-N 1 2 325.372 1.662 20 30 EDEDLO C[N@@H+](CCN1CCCC1=O)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075741092 441553830 /nfs/dbraw/zinc/55/38/30/441553830.db2.gz RPDOERDPSNXPSJ-UHFFFAOYSA-N 1 2 325.372 1.662 20 30 EDEDLO COCC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000089944410 441602332 /nfs/dbraw/zinc/60/23/32/441602332.db2.gz HEPHUHQDAJERCZ-HNNXBMFYSA-N 1 2 338.429 1.202 20 30 EDEDLO COCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000089944410 441602337 /nfs/dbraw/zinc/60/23/37/441602337.db2.gz HEPHUHQDAJERCZ-HNNXBMFYSA-N 1 2 338.429 1.202 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCSC[C@H]1c1cccs1 ZINC000076178897 441606132 /nfs/dbraw/zinc/60/61/32/441606132.db2.gz AHFPDIOOEPNINF-NSHDSACASA-N 1 2 325.459 1.850 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCSC[C@H]1c1cccs1 ZINC000076178897 441606137 /nfs/dbraw/zinc/60/61/37/441606137.db2.gz AHFPDIOOEPNINF-NSHDSACASA-N 1 2 325.459 1.850 20 30 EDEDLO C=CC[N@H+](CCC(=O)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000067400003 441636689 /nfs/dbraw/zinc/63/66/89/441636689.db2.gz SLQMKUZTIJBYCG-INIZCTEOSA-N 1 2 348.468 1.641 20 30 EDEDLO C=CC[N@@H+](CCC(=O)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000067400003 441636694 /nfs/dbraw/zinc/63/66/94/441636694.db2.gz SLQMKUZTIJBYCG-INIZCTEOSA-N 1 2 348.468 1.641 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000114465947 441661096 /nfs/dbraw/zinc/66/10/96/441661096.db2.gz QKKCHGLGHMWQQO-AWEZNQCLSA-N 1 2 335.452 1.309 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000114465941 441661293 /nfs/dbraw/zinc/66/12/93/441661293.db2.gz DZSCUDLIKMIKGD-CQSZACIVSA-N 1 2 333.436 1.085 20 30 EDEDLO Cc1cccc([C@H](CNC(=O)CSCC#N)[NH+]2CCOCC2)c1 ZINC000041970159 441690185 /nfs/dbraw/zinc/69/01/85/441690185.db2.gz MJBYCSBJTTUEMZ-INIZCTEOSA-N 1 2 333.457 1.741 20 30 EDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000121429261 441704204 /nfs/dbraw/zinc/70/42/04/441704204.db2.gz KEZHPSGSYXQDQX-UHFFFAOYSA-N 1 2 345.852 1.647 20 30 EDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000121429261 441704208 /nfs/dbraw/zinc/70/42/08/441704208.db2.gz KEZHPSGSYXQDQX-UHFFFAOYSA-N 1 2 345.852 1.647 20 30 EDEDLO C#CCC[NH+]1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000091480617 441705329 /nfs/dbraw/zinc/70/53/29/441705329.db2.gz UNDVKEPYIPNNNP-UHFFFAOYSA-N 1 2 339.193 1.898 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1C#N ZINC000137109335 441747203 /nfs/dbraw/zinc/74/72/03/441747203.db2.gz ZGHBOKLTJRRNRS-LBPRGKRZSA-N 1 2 336.461 1.675 20 30 EDEDLO CCC(=O)N1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000077388036 441769595 /nfs/dbraw/zinc/76/95/95/441769595.db2.gz VLLJMADFPLDBRY-UHFFFAOYSA-N 1 2 342.443 1.878 20 30 EDEDLO CCC(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000077388036 441769602 /nfs/dbraw/zinc/76/96/02/441769602.db2.gz VLLJMADFPLDBRY-UHFFFAOYSA-N 1 2 342.443 1.878 20 30 EDEDLO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH+]1CCC(C#N)CC1 ZINC000142101121 441859394 /nfs/dbraw/zinc/85/93/94/441859394.db2.gz FFJJNKJXYFNMDD-UHFFFAOYSA-N 1 2 326.400 1.986 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncn(-c2ccccc2)n1 ZINC000092799087 441828491 /nfs/dbraw/zinc/82/84/91/441828491.db2.gz POUZVEWGQDJJKW-UHFFFAOYSA-N 1 2 340.431 1.315 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000173752290 441834027 /nfs/dbraw/zinc/83/40/27/441834027.db2.gz UHLVVOGPPWBZPQ-HNNXBMFYSA-N 1 2 335.429 1.044 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(Cl)c2F)CC1 ZINC000122249352 441841729 /nfs/dbraw/zinc/84/17/29/441841729.db2.gz QRZUJVOLQDOFNB-UHFFFAOYSA-N 1 2 325.815 1.899 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)NCCC1=CCCCC1 ZINC000078686513 441963397 /nfs/dbraw/zinc/96/33/97/441963397.db2.gz XQTGMCVYVWQRHB-UHFFFAOYSA-N 1 2 348.491 1.541 20 30 EDEDLO CC1CCN(c2ccc(CNC(=O)Cn3cnc(C#N)n3)c[nH+]2)CC1 ZINC000494543610 447444368 /nfs/dbraw/zinc/44/43/68/447444368.db2.gz BQWNBBRCXFYLTQ-UHFFFAOYSA-N 1 2 339.403 1.097 20 30 EDEDLO COc1ccc(C[NH+]2CCN(C(=O)CN(C)[C@@H](C)CC#N)CC2)cc1 ZINC000161803533 442034771 /nfs/dbraw/zinc/03/47/71/442034771.db2.gz HFQZYOVFFLIYCB-INIZCTEOSA-N 1 2 344.459 1.573 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000151420488 442058712 /nfs/dbraw/zinc/05/87/12/442058712.db2.gz JAZBUQLBSQCSHJ-WMLDXEAASA-N 1 2 336.395 1.913 20 30 EDEDLO C=CCOCCCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000079709517 442078899 /nfs/dbraw/zinc/07/88/99/442078899.db2.gz WAEHPTNPIZCROW-INIZCTEOSA-N 1 2 328.478 1.293 20 30 EDEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)Nc1ccc(Br)cc1 ZINC000121319883 442203367 /nfs/dbraw/zinc/20/33/67/442203367.db2.gz ZJASIFQQGWSJAG-QMMMGPOBSA-N 1 2 330.182 1.447 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CCN2CC[NH+](CC3CC3)CC2)c1 ZINC000128505418 442271119 /nfs/dbraw/zinc/27/11/19/442271119.db2.gz SIESOWPLZNPBAG-UHFFFAOYSA-N 1 2 333.457 1.360 20 30 EDEDLO COCC[N@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)Cc1ccc(C#N)cc1 ZINC000154491116 442342559 /nfs/dbraw/zinc/34/25/59/442342559.db2.gz UOFFZFSKFVRBRL-LJQANCHMSA-N 1 2 345.443 1.736 20 30 EDEDLO COCC[N@@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)Cc1ccc(C#N)cc1 ZINC000154491116 442342562 /nfs/dbraw/zinc/34/25/62/442342562.db2.gz UOFFZFSKFVRBRL-LJQANCHMSA-N 1 2 345.443 1.736 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177781117 442383286 /nfs/dbraw/zinc/38/32/86/442383286.db2.gz SRSOGNTUSIQLHB-LLVKDONJSA-N 1 2 336.461 1.854 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177781117 442383288 /nfs/dbraw/zinc/38/32/88/442383288.db2.gz SRSOGNTUSIQLHB-LLVKDONJSA-N 1 2 336.461 1.854 20 30 EDEDLO C#CCSCCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000154822044 442359090 /nfs/dbraw/zinc/35/90/90/442359090.db2.gz YSMBCHWOONSUEI-HNNXBMFYSA-N 1 2 332.473 1.836 20 30 EDEDLO CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000179715428 442493130 /nfs/dbraw/zinc/49/31/30/442493130.db2.gz YAHHVMHEXPERTQ-GOSISDBHSA-N 1 2 330.432 1.373 20 30 EDEDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000179715428 442493132 /nfs/dbraw/zinc/49/31/32/442493132.db2.gz YAHHVMHEXPERTQ-GOSISDBHSA-N 1 2 330.432 1.373 20 30 EDEDLO N#Cc1c(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)sc2c1CCCCC2 ZINC000186501759 442547575 /nfs/dbraw/zinc/54/75/75/442547575.db2.gz CCGXWQYQHKRLAC-RYUDHWBXSA-N 1 2 349.456 1.255 20 30 EDEDLO N#Cc1c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)sc2c1CCCCC2 ZINC000186501759 442547577 /nfs/dbraw/zinc/54/75/77/442547577.db2.gz CCGXWQYQHKRLAC-RYUDHWBXSA-N 1 2 349.456 1.255 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)cc1F ZINC000191857040 442525863 /nfs/dbraw/zinc/52/58/63/442525863.db2.gz ACFSJYNLNNCUDF-UHFFFAOYSA-N 1 2 344.434 1.827 20 30 EDEDLO Cc1cc(NC(=O)CN2CC[NH+](CC#Cc3ccccc3)CC2)no1 ZINC000191882247 442531934 /nfs/dbraw/zinc/53/19/34/442531934.db2.gz APWAWDSJWAXEGT-UHFFFAOYSA-N 1 2 338.411 1.591 20 30 EDEDLO CCCN1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C(C)(C)C1=O ZINC000187865209 442695840 /nfs/dbraw/zinc/69/58/40/442695840.db2.gz UGKFGVVLKWQYAP-INIZCTEOSA-N 1 2 345.443 1.631 20 30 EDEDLO CCCN1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C(C)(C)C1=O ZINC000187865209 442695841 /nfs/dbraw/zinc/69/58/41/442695841.db2.gz UGKFGVVLKWQYAP-INIZCTEOSA-N 1 2 345.443 1.631 20 30 EDEDLO Cc1cccc(S(=O)(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1C#N ZINC000188085120 442709468 /nfs/dbraw/zinc/70/94/68/442709468.db2.gz SVLGVTWLPMUGKO-UHFFFAOYSA-N 1 2 337.445 1.256 20 30 EDEDLO Cc1cccc(S(=O)(=O)NCC[N@H+]2CCOC(C)(C)C2)c1C#N ZINC000188085120 442709469 /nfs/dbraw/zinc/70/94/69/442709469.db2.gz SVLGVTWLPMUGKO-UHFFFAOYSA-N 1 2 337.445 1.256 20 30 EDEDLO COCc1noc(CN2CC[NH+](Cc3cc(C#N)cs3)CC2)n1 ZINC000188798821 442816617 /nfs/dbraw/zinc/81/66/17/442816617.db2.gz SRLGOEAPINQEQZ-UHFFFAOYSA-N 1 2 333.417 1.467 20 30 EDEDLO CC1CCN(C(=O)C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)CC1 ZINC000247033179 442829982 /nfs/dbraw/zinc/82/99/82/442829982.db2.gz HTYQHQIAOMQDCW-OAHLLOKOSA-N 1 2 342.447 1.117 20 30 EDEDLO CC1CCN(C(=O)C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)CC1 ZINC000247033179 442829987 /nfs/dbraw/zinc/82/99/87/442829987.db2.gz HTYQHQIAOMQDCW-OAHLLOKOSA-N 1 2 342.447 1.117 20 30 EDEDLO C[C@H](C(=O)N(CC#N)C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000265614670 442846932 /nfs/dbraw/zinc/84/69/32/442846932.db2.gz YATZIMFSBKIATQ-CQSZACIVSA-N 1 2 330.407 1.851 20 30 EDEDLO C[C@@H](CC#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000194632858 442927597 /nfs/dbraw/zinc/92/75/97/442927597.db2.gz WXXONWRGMZFDDJ-ZDUSSCGKSA-N 1 2 325.372 1.944 20 30 EDEDLO CCCN1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1=O ZINC000189425305 442949972 /nfs/dbraw/zinc/94/99/72/442949972.db2.gz XNFDWXHVTPQCPK-KRWDZBQOSA-N 1 2 340.427 1.608 20 30 EDEDLO CCCN1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1=O ZINC000189425305 442949976 /nfs/dbraw/zinc/94/99/76/442949976.db2.gz XNFDWXHVTPQCPK-KRWDZBQOSA-N 1 2 340.427 1.608 20 30 EDEDLO C#CCSCCNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000265836435 442939935 /nfs/dbraw/zinc/93/99/35/442939935.db2.gz PIIZGTBKDNEDIU-UHFFFAOYSA-N 1 2 334.367 1.953 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000195188196 442994698 /nfs/dbraw/zinc/99/46/98/442994698.db2.gz RYXBVNCUCJJHNJ-UHFFFAOYSA-N 1 2 329.400 1.198 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000195188196 442994702 /nfs/dbraw/zinc/99/47/02/442994702.db2.gz RYXBVNCUCJJHNJ-UHFFFAOYSA-N 1 2 329.400 1.198 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000184313638 443011066 /nfs/dbraw/zinc/01/10/66/443011066.db2.gz KZWKWMMKSWFAPQ-CYBMUJFWSA-N 1 2 328.420 1.614 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](CO)O1 ZINC000190098363 443056912 /nfs/dbraw/zinc/05/69/12/443056912.db2.gz JIQFEEOFZZKIJX-KBRIMQKVSA-N 1 2 329.400 1.135 20 30 EDEDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](CO)O1 ZINC000190098363 443056914 /nfs/dbraw/zinc/05/69/14/443056914.db2.gz JIQFEEOFZZKIJX-KBRIMQKVSA-N 1 2 329.400 1.135 20 30 EDEDLO CCc1nnc(C2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)[nH]1 ZINC000190713414 443169419 /nfs/dbraw/zinc/16/94/19/443169419.db2.gz YUNQROXYAWMWKO-UHFFFAOYSA-N 1 2 344.463 1.889 20 30 EDEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)n1 ZINC000190713414 443169423 /nfs/dbraw/zinc/16/94/23/443169423.db2.gz YUNQROXYAWMWKO-UHFFFAOYSA-N 1 2 344.463 1.889 20 30 EDEDLO CCc1nc(C2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)n[nH]1 ZINC000190713414 443169430 /nfs/dbraw/zinc/16/94/30/443169430.db2.gz YUNQROXYAWMWKO-UHFFFAOYSA-N 1 2 344.463 1.889 20 30 EDEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000190834663 443191284 /nfs/dbraw/zinc/19/12/84/443191284.db2.gz QGJDYDKUURCMKW-HNNXBMFYSA-N 1 2 341.433 1.024 20 30 EDEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000190834663 443191287 /nfs/dbraw/zinc/19/12/87/443191287.db2.gz QGJDYDKUURCMKW-HNNXBMFYSA-N 1 2 341.433 1.024 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)CCN1CC(F)F ZINC000245761983 443248317 /nfs/dbraw/zinc/24/83/17/443248317.db2.gz QEGZDSKCUCYVFO-KGLIPLIRSA-N 1 2 330.423 1.656 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)CCN1CC(F)F ZINC000245761983 443248318 /nfs/dbraw/zinc/24/83/18/443248318.db2.gz QEGZDSKCUCYVFO-KGLIPLIRSA-N 1 2 330.423 1.656 20 30 EDEDLO COc1ccccc1C[N@H+](CCO)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000264140437 443252768 /nfs/dbraw/zinc/25/27/68/443252768.db2.gz YFMPUAXQLZKKDX-SFHVURJKSA-N 1 2 333.432 1.544 20 30 EDEDLO COc1ccccc1C[N@@H+](CCO)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000264140437 443252773 /nfs/dbraw/zinc/25/27/73/443252773.db2.gz YFMPUAXQLZKKDX-SFHVURJKSA-N 1 2 333.432 1.544 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000264156969 443253690 /nfs/dbraw/zinc/25/36/90/443253690.db2.gz FCFFBSKAENGDNJ-MRXNPFEDSA-N 1 2 333.432 1.785 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000264156969 443253695 /nfs/dbraw/zinc/25/36/95/443253695.db2.gz FCFFBSKAENGDNJ-MRXNPFEDSA-N 1 2 333.432 1.785 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000264238361 443255569 /nfs/dbraw/zinc/25/55/69/443255569.db2.gz YYTQCCMUBDOIDL-UHFFFAOYSA-N 1 2 341.333 1.792 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)NCc1[nH+]ccn1CC(C)C ZINC000185896173 443278449 /nfs/dbraw/zinc/27/84/49/443278449.db2.gz VWMNRICZQHFUOS-UHFFFAOYSA-N 1 2 348.428 1.898 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000246219079 443280599 /nfs/dbraw/zinc/28/05/99/443280599.db2.gz FIYYWWBWXFZTLL-NVXWUHKLSA-N 1 2 329.400 1.573 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000246219079 443280604 /nfs/dbraw/zinc/28/06/04/443280604.db2.gz FIYYWWBWXFZTLL-NVXWUHKLSA-N 1 2 329.400 1.573 20 30 EDEDLO C[C@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000185933092 443286342 /nfs/dbraw/zinc/28/63/42/443286342.db2.gz OPAWBANRZFFLMD-GOSISDBHSA-N 1 2 328.416 1.663 20 30 EDEDLO C[C@]1(C(N)=O)CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000185933092 443286344 /nfs/dbraw/zinc/28/63/44/443286344.db2.gz OPAWBANRZFFLMD-GOSISDBHSA-N 1 2 328.416 1.663 20 30 EDEDLO C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000267064800 443329647 /nfs/dbraw/zinc/32/96/47/443329647.db2.gz JLXGPIBILTUXHY-INIZCTEOSA-N 1 2 347.415 1.043 20 30 EDEDLO C=CCNC(=O)C[N@H+](C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000267064800 443329651 /nfs/dbraw/zinc/32/96/51/443329651.db2.gz JLXGPIBILTUXHY-INIZCTEOSA-N 1 2 347.415 1.043 20 30 EDEDLO C#CCNC(=O)c1ccc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)nc1 ZINC000267235185 443388911 /nfs/dbraw/zinc/38/89/11/443388911.db2.gz QSACNXZKMDPOBK-ZDUSSCGKSA-N 1 2 343.456 1.058 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC(=O)N1C ZINC000282818433 443441867 /nfs/dbraw/zinc/44/18/67/443441867.db2.gz TYMISQVEQLYABE-AWEZNQCLSA-N 1 2 338.415 1.521 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC(=O)N1C ZINC000282818433 443441870 /nfs/dbraw/zinc/44/18/70/443441870.db2.gz TYMISQVEQLYABE-AWEZNQCLSA-N 1 2 338.415 1.521 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000270649875 443478410 /nfs/dbraw/zinc/47/84/10/443478410.db2.gz TTYIMZCJQWIQAU-UHFFFAOYSA-N 1 2 342.848 1.678 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270712140 443479497 /nfs/dbraw/zinc/47/94/97/443479497.db2.gz ZWGPRAYKJPMLLE-OCCSQVGLSA-N 1 2 347.394 1.203 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270712140 443479501 /nfs/dbraw/zinc/47/95/01/443479501.db2.gz ZWGPRAYKJPMLLE-OCCSQVGLSA-N 1 2 347.394 1.203 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000272890504 443480447 /nfs/dbraw/zinc/48/04/47/443480447.db2.gz XOOZVRQEMDWMNP-UHFFFAOYSA-N 1 2 339.461 1.018 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000272890504 443480450 /nfs/dbraw/zinc/48/04/50/443480450.db2.gz XOOZVRQEMDWMNP-UHFFFAOYSA-N 1 2 339.461 1.018 20 30 EDEDLO CNC(=O)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000270818570 443482035 /nfs/dbraw/zinc/48/20/35/443482035.db2.gz YCAIXPGRNXKIGD-HNNXBMFYSA-N 1 2 330.432 1.616 20 30 EDEDLO CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000270818570 443482037 /nfs/dbraw/zinc/48/20/37/443482037.db2.gz YCAIXPGRNXKIGD-HNNXBMFYSA-N 1 2 330.432 1.616 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000279340752 443559525 /nfs/dbraw/zinc/55/95/25/443559525.db2.gz QAQHANIHZGNOCT-CABCVRRESA-N 1 2 331.416 1.505 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1cccc(OCC#N)c1 ZINC000279290414 443551504 /nfs/dbraw/zinc/55/15/04/443551504.db2.gz LLJNSYVIXBDSTL-OAHLLOKOSA-N 1 2 331.416 1.311 20 30 EDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC000279497082 443594588 /nfs/dbraw/zinc/59/45/88/443594588.db2.gz PBMDAPDPKBUBJX-HNNXBMFYSA-N 1 2 346.431 1.432 20 30 EDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(c2ccc(C#N)cn2)CCO1 ZINC000279497082 443594591 /nfs/dbraw/zinc/59/45/91/443594591.db2.gz PBMDAPDPKBUBJX-HNNXBMFYSA-N 1 2 346.431 1.432 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000275845153 443644400 /nfs/dbraw/zinc/64/44/00/443644400.db2.gz WKMVAXBNYLQWOX-HOTGVXAUSA-N 1 2 341.390 1.634 20 30 EDEDLO C#CCN(C)C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000283490364 443645618 /nfs/dbraw/zinc/64/56/18/443645618.db2.gz CWIXSGQTWRWKSS-UHFFFAOYSA-N 1 2 336.395 1.917 20 30 EDEDLO CC1(C)C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1O ZINC000279982683 443653208 /nfs/dbraw/zinc/65/32/08/443653208.db2.gz ZPISIIVFJMXNPK-WFASDCNBSA-N 1 2 340.383 1.214 20 30 EDEDLO CC1(C)C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1O ZINC000279982683 443653211 /nfs/dbraw/zinc/65/32/11/443653211.db2.gz ZPISIIVFJMXNPK-WFASDCNBSA-N 1 2 340.383 1.214 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000280191205 443675162 /nfs/dbraw/zinc/67/51/62/443675162.db2.gz ZXLZXWLNDJJTKG-NVXWUHKLSA-N 1 2 333.457 1.304 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284780014 443787829 /nfs/dbraw/zinc/78/78/29/443787829.db2.gz INWCUVPKEGJIEY-NVXWUHKLSA-N 1 2 347.390 1.775 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284780014 443787835 /nfs/dbraw/zinc/78/78/35/443787835.db2.gz INWCUVPKEGJIEY-NVXWUHKLSA-N 1 2 347.390 1.775 20 30 EDEDLO CO/N=C/c1ccc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000276681603 443790071 /nfs/dbraw/zinc/79/00/71/443790071.db2.gz ZSYQLLAWJDERJS-PQFHHTBUSA-N 1 2 345.443 1.850 20 30 EDEDLO CO/N=C/c1ccc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000276681603 443790075 /nfs/dbraw/zinc/79/00/75/443790075.db2.gz ZSYQLLAWJDERJS-PQFHHTBUSA-N 1 2 345.443 1.850 20 30 EDEDLO COc1cc(CN(CCC#N)CC[NH+]2CCOCC2)cc(OC)c1O ZINC000284018180 443761450 /nfs/dbraw/zinc/76/14/50/443761450.db2.gz KPSADJICOQQOLC-UHFFFAOYSA-N 1 2 349.431 1.457 20 30 EDEDLO CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000298462823 443774544 /nfs/dbraw/zinc/77/45/44/443774544.db2.gz MHEJNYDBUNANDM-CQSZACIVSA-N 1 2 332.423 1.980 20 30 EDEDLO COC(=O)c1cnoc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292117060 443778354 /nfs/dbraw/zinc/77/83/54/443778354.db2.gz HSLLVRVEURBWKG-GFCCVEGCSA-N 1 2 328.328 1.381 20 30 EDEDLO COC(=O)c1cnoc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292117060 443778357 /nfs/dbraw/zinc/77/83/57/443778357.db2.gz HSLLVRVEURBWKG-GFCCVEGCSA-N 1 2 328.328 1.381 20 30 EDEDLO COC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000284629163 443782067 /nfs/dbraw/zinc/78/20/67/443782067.db2.gz WFFAAXCMJVHKDJ-UHFFFAOYSA-N 1 2 343.427 1.398 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2OCC)C1=O ZINC000281206423 443847042 /nfs/dbraw/zinc/84/70/42/443847042.db2.gz CUUBOLQGJOPPPG-OAHLLOKOSA-N 1 2 331.416 1.743 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2OCC)C1=O ZINC000281206423 443847048 /nfs/dbraw/zinc/84/70/48/443847048.db2.gz CUUBOLQGJOPPPG-OAHLLOKOSA-N 1 2 331.416 1.743 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c(C#N)c1C ZINC000284990232 443811016 /nfs/dbraw/zinc/81/10/16/443811016.db2.gz YKXHIKNKBLEGBI-MAZHCROVSA-N 1 2 346.431 1.500 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(C#N)c1C ZINC000284990232 443811021 /nfs/dbraw/zinc/81/10/21/443811021.db2.gz YKXHIKNKBLEGBI-MAZHCROVSA-N 1 2 346.431 1.500 20 30 EDEDLO Cn1cc([C@@H](CO)[NH2+]Cc2cc(C#N)ccc2Br)cn1 ZINC000276850209 443851930 /nfs/dbraw/zinc/85/19/30/443851930.db2.gz DQAFECKOCVAZJS-CQSZACIVSA-N 1 2 335.205 1.877 20 30 EDEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000281532008 443936968 /nfs/dbraw/zinc/93/69/68/443936968.db2.gz WGPMZCNIEPQHCK-INIZCTEOSA-N 1 2 328.420 1.603 20 30 EDEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000281532008 443936973 /nfs/dbraw/zinc/93/69/73/443936973.db2.gz WGPMZCNIEPQHCK-INIZCTEOSA-N 1 2 328.420 1.603 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)C(C)(C)C ZINC000288646611 443944200 /nfs/dbraw/zinc/94/42/00/443944200.db2.gz QPLWVGZGXOKTRF-OAHLLOKOSA-N 1 2 330.432 1.765 20 30 EDEDLO COc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1sccc1C#N ZINC000542907700 320786417 /nfs/dbraw/zinc/78/64/17/320786417.db2.gz BCIHGOILVQLICU-ZDUSSCGKSA-N 1 2 331.397 1.890 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc[nH]c2C(C)C)CC1 ZINC000285404084 443972252 /nfs/dbraw/zinc/97/22/52/443972252.db2.gz PAPHSJRJADUNKA-UHFFFAOYSA-N 1 2 330.432 1.035 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc[nH]c2C(C)C)CC1 ZINC000285404084 443972260 /nfs/dbraw/zinc/97/22/60/443972260.db2.gz PAPHSJRJADUNKA-UHFFFAOYSA-N 1 2 330.432 1.035 20 30 EDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000299336949 444021853 /nfs/dbraw/zinc/02/18/53/444021853.db2.gz QCJGARQULHPHAX-INIZCTEOSA-N 1 2 325.412 1.419 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)C1=O ZINC000281992143 444056833 /nfs/dbraw/zinc/05/68/33/444056833.db2.gz MVPQBZSXTCYHKF-JKSUJKDBSA-N 1 2 331.391 1.650 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)C1=O ZINC000281992143 444056837 /nfs/dbraw/zinc/05/68/37/444056837.db2.gz MVPQBZSXTCYHKF-JKSUJKDBSA-N 1 2 331.391 1.650 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)C1=O ZINC000282103106 444087445 /nfs/dbraw/zinc/08/74/45/444087445.db2.gz WELMKFHHRULPJV-QGZVFWFLSA-N 1 2 327.428 1.540 20 30 EDEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000294230981 444106198 /nfs/dbraw/zinc/10/61/98/444106198.db2.gz BPOJKHUBXLCWPL-MRXNPFEDSA-N 1 2 330.428 1.768 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(C#N)ccc1Cl ZINC000286002464 444173807 /nfs/dbraw/zinc/17/38/07/444173807.db2.gz NTEDBWXFHPZWPC-UHFFFAOYSA-N 1 2 346.818 1.900 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCOC[C@H](O)C1 ZINC000295749130 444192475 /nfs/dbraw/zinc/19/24/75/444192475.db2.gz XEWUXRPZESNAKC-XJKSGUPXSA-N 1 2 335.379 1.154 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOC[C@H](O)C1 ZINC000295749130 444192476 /nfs/dbraw/zinc/19/24/76/444192476.db2.gz XEWUXRPZESNAKC-XJKSGUPXSA-N 1 2 335.379 1.154 20 30 EDEDLO Cc1oc(NC(=O)CN2CC[NH+](C(C)(C)C(N)=O)CC2)c(C#N)c1C ZINC000330985256 444346840 /nfs/dbraw/zinc/34/68/40/444346840.db2.gz KYBMTRBLXQTZNF-UHFFFAOYSA-N 1 2 347.419 1.638 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](CO)c1cnn(C)c1)CCC2 ZINC000328820012 444363618 /nfs/dbraw/zinc/36/36/18/444363618.db2.gz PTEVPRDXLQWFLH-JSGCOSHPSA-N 1 2 332.408 1.040 20 30 EDEDLO COC(=O)[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000331030492 444365760 /nfs/dbraw/zinc/36/57/60/444365760.db2.gz YZWGRNUVCFGUTG-ZIAGYGMSSA-N 1 2 341.452 1.142 20 30 EDEDLO CC(C)(C)OC(=O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000340187779 444367871 /nfs/dbraw/zinc/36/78/71/444367871.db2.gz BHYASGBWQXTWII-SFHVURJKSA-N 1 2 335.448 1.849 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000297776359 444332890 /nfs/dbraw/zinc/33/28/90/444332890.db2.gz INHPKAHWTDMWAY-UHFFFAOYSA-N 1 2 345.443 1.244 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)N(C)[C@H](C)CC#N ZINC000337795570 444411410 /nfs/dbraw/zinc/41/14/10/444411410.db2.gz CYYKEYLMKPBDRI-GFCCVEGCSA-N 1 2 335.433 1.413 20 30 EDEDLO C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CCO1 ZINC000328859125 444377724 /nfs/dbraw/zinc/37/77/24/444377724.db2.gz DSOXFZARKCKNCV-FPCVCCKLSA-N 1 2 325.453 1.511 20 30 EDEDLO C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CCO1 ZINC000328859125 444377728 /nfs/dbraw/zinc/37/77/28/444377728.db2.gz DSOXFZARKCKNCV-FPCVCCKLSA-N 1 2 325.453 1.511 20 30 EDEDLO O=C(Cc1cncs1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000328600917 444390026 /nfs/dbraw/zinc/39/00/26/444390026.db2.gz DNJXZHMUYPIQRW-UHFFFAOYSA-N 1 2 336.461 1.586 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CSCN1C(=O)C(C)(C)C ZINC000328906952 444396822 /nfs/dbraw/zinc/39/68/22/444396822.db2.gz LDWCHWLEHKSOHT-CHWSQXEVSA-N 1 2 343.493 1.611 20 30 EDEDLO C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CO1 ZINC000329061585 444462076 /nfs/dbraw/zinc/46/20/76/444462076.db2.gz ZIOMBMLHQKJQMV-DMVWFOPNSA-N 1 2 346.431 1.996 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c(C#N)c1C ZINC000331176806 444432530 /nfs/dbraw/zinc/43/25/30/444432530.db2.gz PUWWTMAYVHGYHD-SMDDNHRTSA-N 1 2 337.445 1.647 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c(C#N)c1C ZINC000331176806 444432532 /nfs/dbraw/zinc/43/25/32/444432532.db2.gz PUWWTMAYVHGYHD-SMDDNHRTSA-N 1 2 337.445 1.647 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000337850336 444436097 /nfs/dbraw/zinc/43/60/97/444436097.db2.gz REEOVIQHWGQRGL-RKVPGOIHSA-N 1 2 336.480 1.810 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000337850336 444436099 /nfs/dbraw/zinc/43/60/99/444436099.db2.gz REEOVIQHWGQRGL-RKVPGOIHSA-N 1 2 336.480 1.810 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3nccn3-c3ccccc3)C[C@@H]21 ZINC000329138731 444481543 /nfs/dbraw/zinc/48/15/43/444481543.db2.gz SCFBQBYCQKQFCJ-HOTGVXAUSA-N 1 2 341.415 1.823 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3nccn3-c3ccccc3)C[C@@H]21 ZINC000329138731 444481546 /nfs/dbraw/zinc/48/15/46/444481546.db2.gz SCFBQBYCQKQFCJ-HOTGVXAUSA-N 1 2 341.415 1.823 20 30 EDEDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)c1cncc(F)c1 ZINC000329184327 444494602 /nfs/dbraw/zinc/49/46/02/444494602.db2.gz ACHLBANEEWJSQY-DVOMOZLQSA-N 1 2 336.411 1.991 20 30 EDEDLO Cc1ccc2[nH+]c(CNC(=O)N3CCOC[C@@H]3[C@H]3CCCO3)cn2c1 ZINC000329254607 444513778 /nfs/dbraw/zinc/51/37/78/444513778.db2.gz WYXIJKHMAYSJTB-HZPDHXFCSA-N 1 2 344.415 1.937 20 30 EDEDLO C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC(=O)N1 ZINC000329265790 444516371 /nfs/dbraw/zinc/51/63/71/444516371.db2.gz CNHRELBEMVGFCA-ZIAGYGMSSA-N 1 2 346.435 1.310 20 30 EDEDLO O=C(N[C@@H]1CN(c2ccc(F)cc2)C1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329324402 444535815 /nfs/dbraw/zinc/53/58/15/444535815.db2.gz HZXINDMIWQWZHE-XHDPSFHLSA-N 1 2 328.347 1.957 20 30 EDEDLO Cn1c(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)nnc1C1CC1 ZINC000329313318 444531114 /nfs/dbraw/zinc/53/11/14/444531114.db2.gz CFZLOJOFMAMJSB-AWEZNQCLSA-N 1 2 333.436 1.792 20 30 EDEDLO Cn1c(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)nnc1C1CC1 ZINC000329313318 444531119 /nfs/dbraw/zinc/53/11/19/444531119.db2.gz CFZLOJOFMAMJSB-AWEZNQCLSA-N 1 2 333.436 1.792 20 30 EDEDLO Cn1cc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c(=O)[nH]c1=O ZINC000329381821 444557235 /nfs/dbraw/zinc/55/72/35/444557235.db2.gz OCFBQQSCKDURSL-JTQLQIEISA-N 1 2 345.403 1.300 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](CCNC(C)=O)Cc2ccc(C)s2)C1=O ZINC000338312780 444626010 /nfs/dbraw/zinc/62/60/10/444626010.db2.gz BVTVIYORMKDRBB-INIZCTEOSA-N 1 2 335.473 1.782 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](CCNC(C)=O)Cc2ccc(C)s2)C1=O ZINC000338312780 444626013 /nfs/dbraw/zinc/62/60/13/444626013.db2.gz BVTVIYORMKDRBB-INIZCTEOSA-N 1 2 335.473 1.782 20 30 EDEDLO CCCCNc1cc(NCCOc2ccc(C#N)cc2)nc(N)[nH+]1 ZINC000342351495 444648847 /nfs/dbraw/zinc/64/88/47/444648847.db2.gz RTJAKWOPHMUGSQ-UHFFFAOYSA-N 1 2 326.404 2.055 20 30 EDEDLO CCCCNc1cc(NCCOc2ccc(C#N)cc2)[nH+]c(N)n1 ZINC000342351495 444648850 /nfs/dbraw/zinc/64/88/50/444648850.db2.gz RTJAKWOPHMUGSQ-UHFFFAOYSA-N 1 2 326.404 2.055 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000329650023 444665383 /nfs/dbraw/zinc/66/53/83/444665383.db2.gz CDDIVHVZOUKTMB-UONOGXRCSA-N 1 2 349.431 1.697 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000329650023 444665386 /nfs/dbraw/zinc/66/53/86/444665386.db2.gz CDDIVHVZOUKTMB-UONOGXRCSA-N 1 2 349.431 1.697 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329651995 444667069 /nfs/dbraw/zinc/66/70/69/444667069.db2.gz DBNROISQTMMOQD-KFWWJZLASA-N 1 2 338.452 1.452 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329651995 444667070 /nfs/dbraw/zinc/66/70/70/444667070.db2.gz DBNROISQTMMOQD-KFWWJZLASA-N 1 2 338.452 1.452 20 30 EDEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329750227 444701286 /nfs/dbraw/zinc/70/12/86/444701286.db2.gz IACOTIDXCUMSPL-XHSDSOJGSA-N 1 2 346.431 1.035 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000341168863 444706948 /nfs/dbraw/zinc/70/69/48/444706948.db2.gz MEIFUOJNCJBXFG-UHFFFAOYSA-N 1 2 343.431 1.398 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000341168863 444706951 /nfs/dbraw/zinc/70/69/51/444706951.db2.gz MEIFUOJNCJBXFG-UHFFFAOYSA-N 1 2 343.431 1.398 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000329772736 444711975 /nfs/dbraw/zinc/71/19/75/444711975.db2.gz KXEBXSMNAKUDKB-MELADBBJSA-N 1 2 346.435 1.264 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)[nH+]cn1 ZINC000329772736 444711980 /nfs/dbraw/zinc/71/19/80/444711980.db2.gz KXEBXSMNAKUDKB-MELADBBJSA-N 1 2 346.435 1.264 20 30 EDEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCCC2(CC2)C1 ZINC000329930531 444774088 /nfs/dbraw/zinc/77/40/88/444774088.db2.gz OMINNTWBPUICRN-UHFFFAOYSA-N 1 2 333.436 1.637 20 30 EDEDLO Cc1ccn(-c2ccccc2NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)n1 ZINC000329932998 444774683 /nfs/dbraw/zinc/77/46/83/444774683.db2.gz BHIFMSKBPUCUEA-OAHLLOKOSA-N 1 2 342.447 1.752 20 30 EDEDLO Cc1ccn(-c2ccccc2NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)n1 ZINC000329932998 444774688 /nfs/dbraw/zinc/77/46/88/444774688.db2.gz BHIFMSKBPUCUEA-OAHLLOKOSA-N 1 2 342.447 1.752 20 30 EDEDLO COc1ccc(F)cc1[C@H](C)NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329982354 444797969 /nfs/dbraw/zinc/79/79/69/444797969.db2.gz OTCUVANYSQNTAM-PJODQICGSA-N 1 2 337.395 1.824 20 30 EDEDLO COc1ccc(F)cc1[C@H](C)NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329982354 444797971 /nfs/dbraw/zinc/79/79/71/444797971.db2.gz OTCUVANYSQNTAM-PJODQICGSA-N 1 2 337.395 1.824 20 30 EDEDLO CS(=O)(=O)C1(CNC(=O)N2CC[NH+](C3CCCC3)CC2)CCC1 ZINC000330029679 444817207 /nfs/dbraw/zinc/81/72/07/444817207.db2.gz QLPILJQOCSXBBZ-UHFFFAOYSA-N 1 2 343.493 1.428 20 30 EDEDLO Cc1nc(N2CCN(C(=O)NC3CCCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000330053994 444826631 /nfs/dbraw/zinc/82/66/31/444826631.db2.gz RGRGEPXMKLFKJT-UHFFFAOYSA-N 1 2 347.467 1.615 20 30 EDEDLO Cc1nc(N(C)C)nc(N2CCN(C(=O)NC3CCCCC3)CC2)[nH+]1 ZINC000330053994 444826633 /nfs/dbraw/zinc/82/66/33/444826633.db2.gz RGRGEPXMKLFKJT-UHFFFAOYSA-N 1 2 347.467 1.615 20 30 EDEDLO C[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)N1CCOCC1 ZINC000330078567 444835962 /nfs/dbraw/zinc/83/59/62/444835962.db2.gz IEHPPIDHNFUOSE-ZBFHGGJFSA-N 1 2 325.453 1.307 20 30 EDEDLO C[C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)N1CCOCC1 ZINC000330078567 444835966 /nfs/dbraw/zinc/83/59/66/444835966.db2.gz IEHPPIDHNFUOSE-ZBFHGGJFSA-N 1 2 325.453 1.307 20 30 EDEDLO N#Cc1cc(S(=O)(=O)NCC[NH+]2CCC2)ccc1C(F)(F)F ZINC000336951662 444871233 /nfs/dbraw/zinc/87/12/33/444871233.db2.gz UZIZIHVQOIYYTL-UHFFFAOYSA-N 1 2 333.335 1.561 20 30 EDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC(O)(C(F)F)CC1 ZINC000330241437 444903622 /nfs/dbraw/zinc/90/36/22/444903622.db2.gz BSRCZOCRVGIBGP-NSHDSACASA-N 1 2 328.363 1.767 20 30 EDEDLO CC(=O)Nc1ccc(NC(=O)CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000330360744 444952066 /nfs/dbraw/zinc/95/20/66/444952066.db2.gz XNFKRMLRWGOWJN-HOTGVXAUSA-N 1 2 332.404 1.248 20 30 EDEDLO CC(=O)Nc1ccc(NC(=O)CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000330360744 444952070 /nfs/dbraw/zinc/95/20/70/444952070.db2.gz XNFKRMLRWGOWJN-HOTGVXAUSA-N 1 2 332.404 1.248 20 30 EDEDLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1 ZINC000330360744 444952073 /nfs/dbraw/zinc/95/20/73/444952073.db2.gz XNFKRMLRWGOWJN-HOTGVXAUSA-N 1 2 332.404 1.248 20 30 EDEDLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)cc1 ZINC000330360744 444952077 /nfs/dbraw/zinc/95/20/77/444952077.db2.gz XNFKRMLRWGOWJN-HOTGVXAUSA-N 1 2 332.404 1.248 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccnn2)CC1 ZINC000330413863 444971828 /nfs/dbraw/zinc/97/18/28/444971828.db2.gz MUKFQSGMYZGOLY-YOEHRIQHSA-N 1 2 330.436 1.042 20 30 EDEDLO O=C(N[C@@H]1CCOC2(CCC2)C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000330321437 444935430 /nfs/dbraw/zinc/93/54/30/444935430.db2.gz SDGHKTSNLJOUQF-HZPDHXFCSA-N 1 2 337.464 1.799 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N1CC[C@H](O)C12CCCC2)[NH+]1CCOCC1 ZINC000330330212 444939153 /nfs/dbraw/zinc/93/91/53/444939153.db2.gz NDYBUZCHTFEDQR-ZNMIVQPWSA-N 1 2 325.453 1.389 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NCc2ccccc2C)C1=O ZINC000337221613 444991896 /nfs/dbraw/zinc/99/18/96/444991896.db2.gz LKTFOUNQYCBBDZ-RDJZCZTQSA-N 1 2 329.444 1.718 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCc2ccccc2C)C1=O ZINC000337221613 444991901 /nfs/dbraw/zinc/99/19/01/444991901.db2.gz LKTFOUNQYCBBDZ-RDJZCZTQSA-N 1 2 329.444 1.718 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](CCCC)C(=O)Nc2cc(C)on2)C1=O ZINC000337235734 444997628 /nfs/dbraw/zinc/99/76/28/444997628.db2.gz XUOYUZUCGJMCHQ-CABCVRRESA-N 1 2 348.447 2.199 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](CCCC)C(=O)Nc2cc(C)on2)C1=O ZINC000337235734 444997631 /nfs/dbraw/zinc/99/76/31/444997631.db2.gz XUOYUZUCGJMCHQ-CABCVRRESA-N 1 2 348.447 2.199 20 30 EDEDLO CC(C)CNC(=O)NC(=O)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000330503154 445008443 /nfs/dbraw/zinc/00/84/43/445008443.db2.gz CFICGXVPQQYDMX-UHFFFAOYSA-N 1 2 337.399 1.029 20 30 EDEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000343121115 445079201 /nfs/dbraw/zinc/07/92/01/445079201.db2.gz RVXTVWPHTXKVEK-UHFFFAOYSA-N 1 2 344.459 1.753 20 30 EDEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000343121115 445079205 /nfs/dbraw/zinc/07/92/05/445079205.db2.gz RVXTVWPHTXKVEK-UHFFFAOYSA-N 1 2 344.459 1.753 20 30 EDEDLO CC[C@@H](CC#N)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339353289 445133595 /nfs/dbraw/zinc/13/35/95/445133595.db2.gz UWLUKDIXJDFENK-HOCLYGCPSA-N 1 2 345.447 1.826 20 30 EDEDLO CC[C@@H](CC#N)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339353289 445133597 /nfs/dbraw/zinc/13/35/97/445133597.db2.gz UWLUKDIXJDFENK-HOCLYGCPSA-N 1 2 345.447 1.826 20 30 EDEDLO CO[C@H]1C[C@H](CO)[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000344706179 445134452 /nfs/dbraw/zinc/13/44/52/445134452.db2.gz IQTGFXQWMMCHJC-OLZOCXBDSA-N 1 2 335.429 1.322 20 30 EDEDLO CO[C@H]1C[C@H](CO)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000344706179 445134453 /nfs/dbraw/zinc/13/44/53/445134453.db2.gz IQTGFXQWMMCHJC-OLZOCXBDSA-N 1 2 335.429 1.322 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000343258441 445164981 /nfs/dbraw/zinc/16/49/81/445164981.db2.gz IDFZWYPDGQBYKB-CVEARBPZSA-N 1 2 337.464 1.028 20 30 EDEDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000343269010 445169956 /nfs/dbraw/zinc/16/99/56/445169956.db2.gz MYSJGITZLYTQEP-XJKSGUPXSA-N 1 2 349.456 1.244 20 30 EDEDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000343269010 445169963 /nfs/dbraw/zinc/16/99/63/445169963.db2.gz MYSJGITZLYTQEP-XJKSGUPXSA-N 1 2 349.456 1.244 20 30 EDEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)C1 ZINC000345297476 445179261 /nfs/dbraw/zinc/17/92/61/445179261.db2.gz JBCCZEOGFLLCDE-CHWSQXEVSA-N 1 2 327.306 1.717 20 30 EDEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)C1 ZINC000345297476 445179267 /nfs/dbraw/zinc/17/92/67/445179267.db2.gz JBCCZEOGFLLCDE-CHWSQXEVSA-N 1 2 327.306 1.717 20 30 EDEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347528592 445241584 /nfs/dbraw/zinc/24/15/84/445241584.db2.gz NBXYIZFCPNFZFR-OAHLLOKOSA-N 1 2 347.463 1.269 20 30 EDEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000347528592 445241585 /nfs/dbraw/zinc/24/15/85/445241585.db2.gz NBXYIZFCPNFZFR-OAHLLOKOSA-N 1 2 347.463 1.269 20 30 EDEDLO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000347704360 445245508 /nfs/dbraw/zinc/24/55/08/445245508.db2.gz LXRNRLAVHHGQCF-CVEARBPZSA-N 1 2 342.443 1.948 20 30 EDEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000348539045 445319882 /nfs/dbraw/zinc/31/98/82/445319882.db2.gz SNNFXNVCERREJJ-HIFRSBDPSA-N 1 2 349.456 1.444 20 30 EDEDLO CC#CCCCC(=O)N(C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000351953245 445396389 /nfs/dbraw/zinc/39/63/89/445396389.db2.gz CUKHPZKVILFZFF-JKSUJKDBSA-N 1 2 334.439 1.985 20 30 EDEDLO Cc1cc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)nn1CCC#N ZINC000355503384 445465917 /nfs/dbraw/zinc/46/59/17/445465917.db2.gz DNVZEZLLZGCGIZ-UHFFFAOYSA-N 1 2 348.410 2.531 20 30 EDEDLO N#Cc1ccc(Nc2ccn(CC[NH+]3CCOCC3)n2)cc1[N+](=O)[O-] ZINC000357260178 445513387 /nfs/dbraw/zinc/51/33/87/445513387.db2.gz IJRPNWRUJIJPIG-UHFFFAOYSA-N 1 2 342.359 1.739 20 30 EDEDLO N#CC1(F)CC[NH+](CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000352451417 445529871 /nfs/dbraw/zinc/52/98/71/445529871.db2.gz WQYXMQLXVWUXBR-UHFFFAOYSA-N 1 2 346.406 1.218 20 30 EDEDLO C=C(C)C[N@@H+](CC(=O)NC(=O)NCC(C)C)Cc1ccc(CO)o1 ZINC000352794845 445556056 /nfs/dbraw/zinc/55/60/56/445556056.db2.gz RRXDHFBSTXAAMI-UHFFFAOYSA-N 1 2 337.420 1.632 20 30 EDEDLO C=C(C)C[N@H+](CC(=O)NC(=O)NCC(C)C)Cc1ccc(CO)o1 ZINC000352794845 445556061 /nfs/dbraw/zinc/55/60/61/445556061.db2.gz RRXDHFBSTXAAMI-UHFFFAOYSA-N 1 2 337.420 1.632 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)NCc1cccs1 ZINC000353248584 445582543 /nfs/dbraw/zinc/58/25/43/445582543.db2.gz DLTDQAXHNRYJLI-CQSZACIVSA-N 1 2 335.473 1.885 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000353248584 445582546 /nfs/dbraw/zinc/58/25/46/445582546.db2.gz DLTDQAXHNRYJLI-CQSZACIVSA-N 1 2 335.473 1.885 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000357836416 445586025 /nfs/dbraw/zinc/58/60/25/445586025.db2.gz BPIFURRADNOUMS-PBHICJAKSA-N 1 2 349.479 1.409 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000357836416 445586027 /nfs/dbraw/zinc/58/60/27/445586027.db2.gz BPIFURRADNOUMS-PBHICJAKSA-N 1 2 349.479 1.409 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)C(N)=O)cc1 ZINC000360060089 445549148 /nfs/dbraw/zinc/54/91/48/445549148.db2.gz LBIVAVXEVINOEZ-SFHVURJKSA-N 1 2 348.406 1.767 20 30 EDEDLO Cn1cc(C[NH2+]Cc2nnnn2CC2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000349636256 445629038 /nfs/dbraw/zinc/62/90/38/445629038.db2.gz ZWSOXNDSLDRYBS-UHFFFAOYSA-N 1 2 348.414 1.645 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](CC(N)=O)CC2)c(C(F)(F)F)c1 ZINC000356062224 445597129 /nfs/dbraw/zinc/59/71/29/445597129.db2.gz KSNZRGFVOPNUCN-UHFFFAOYSA-N 1 2 326.322 1.180 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C#N ZINC000356291072 445721156 /nfs/dbraw/zinc/72/11/56/445721156.db2.gz XVNALXGFOOHGFM-QGZVFWFLSA-N 1 2 346.456 1.939 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C#N ZINC000356291072 445721159 /nfs/dbraw/zinc/72/11/59/445721159.db2.gz XVNALXGFOOHGFM-QGZVFWFLSA-N 1 2 346.456 1.939 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000360738164 445730564 /nfs/dbraw/zinc/73/05/64/445730564.db2.gz ZIGAAEFMKSNRHB-FZMZJTMJSA-N 1 2 339.342 1.084 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000360738164 445730569 /nfs/dbraw/zinc/73/05/69/445730569.db2.gz ZIGAAEFMKSNRHB-FZMZJTMJSA-N 1 2 339.342 1.084 20 30 EDEDLO CC(C)(CCC#N)CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000356491107 445819351 /nfs/dbraw/zinc/81/93/51/445819351.db2.gz ZFUSQPCOMRVLQU-UHFFFAOYSA-N 1 2 330.432 1.974 20 30 EDEDLO Cn1nccc1CN1C[C@H](F)C[C@H]1C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356430796 445786796 /nfs/dbraw/zinc/78/67/96/445786796.db2.gz RXFCGDNEJSYZBG-DOMZBBRYSA-N 1 2 348.451 1.793 20 30 EDEDLO Cn1nccc1CN1C[C@H](F)C[C@H]1C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356430796 445786798 /nfs/dbraw/zinc/78/67/98/445786798.db2.gz RXFCGDNEJSYZBG-DOMZBBRYSA-N 1 2 348.451 1.793 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)c3cc(Cl)ccc3O2)CC1 ZINC000363845687 445879335 /nfs/dbraw/zinc/87/93/35/445879335.db2.gz AVDWBIYWYPYLOB-QGZVFWFLSA-N 1 2 346.814 1.841 20 30 EDEDLO COC(=O)C1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000361703145 445886677 /nfs/dbraw/zinc/88/66/77/445886677.db2.gz PZMIDVNTISKLMO-UHFFFAOYSA-N 1 2 326.356 1.993 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000364094445 445895194 /nfs/dbraw/zinc/89/51/94/445895194.db2.gz MUWHJNHZFKPLHT-CQSZACIVSA-N 1 2 331.464 1.714 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000364094445 445895198 /nfs/dbraw/zinc/89/51/98/445895198.db2.gz MUWHJNHZFKPLHT-CQSZACIVSA-N 1 2 331.464 1.714 20 30 EDEDLO N#Cc1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)ccc1F ZINC000366043870 445979716 /nfs/dbraw/zinc/97/97/16/445979716.db2.gz XOWVSOLLMNRCNO-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)ccc1F ZINC000366043870 445979721 /nfs/dbraw/zinc/97/97/21/445979721.db2.gz XOWVSOLLMNRCNO-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO Cn1ncc2c1nc(N1CCO[C@H](c3cccc(C#N)c3)C1)[nH+]c2N ZINC000373046067 445991779 /nfs/dbraw/zinc/99/17/79/445991779.db2.gz UOPMHSFGOKDBSJ-AWEZNQCLSA-N 1 2 335.371 1.395 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000354225081 446020782 /nfs/dbraw/zinc/02/07/82/446020782.db2.gz VCOLCLLVLGTBAJ-MRXNPFEDSA-N 1 2 343.427 1.717 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000354225081 446020790 /nfs/dbraw/zinc/02/07/90/446020790.db2.gz VCOLCLLVLGTBAJ-MRXNPFEDSA-N 1 2 343.427 1.717 20 30 EDEDLO CCCn1ncnc1C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000365102900 446027384 /nfs/dbraw/zinc/02/73/84/446027384.db2.gz YCSSSGIIPVYQQB-UHFFFAOYSA-N 1 2 325.420 1.667 20 30 EDEDLO CCCn1ncnc1C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000365102900 446027385 /nfs/dbraw/zinc/02/73/85/446027385.db2.gz YCSSSGIIPVYQQB-UHFFFAOYSA-N 1 2 325.420 1.667 20 30 EDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)cc1 ZINC000365112281 446032809 /nfs/dbraw/zinc/03/28/09/446032809.db2.gz SYWIWVPLIHFKTR-BXUZGUMPSA-N 1 2 341.371 1.796 20 30 EDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)cc1 ZINC000365112281 446032814 /nfs/dbraw/zinc/03/28/14/446032814.db2.gz SYWIWVPLIHFKTR-BXUZGUMPSA-N 1 2 341.371 1.796 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000351539438 446140146 /nfs/dbraw/zinc/14/01/46/446140146.db2.gz AQYTUGWWMICXSB-JSGCOSHPSA-N 1 2 345.378 1.834 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000351539438 446140150 /nfs/dbraw/zinc/14/01/50/446140150.db2.gz AQYTUGWWMICXSB-JSGCOSHPSA-N 1 2 345.378 1.834 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000359509251 446266538 /nfs/dbraw/zinc/26/65/38/446266538.db2.gz YQZDRAGNBFRFIX-UHFFFAOYSA-N 1 2 337.314 1.600 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000362225329 446272560 /nfs/dbraw/zinc/27/25/60/446272560.db2.gz QPDFIPDWNHQHIK-HNNXBMFYSA-N 1 2 327.428 1.769 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000410806728 446345888 /nfs/dbraw/zinc/34/58/88/446345888.db2.gz GTNBYYKJPFYLDB-AWEZNQCLSA-N 1 2 335.473 1.988 20 30 EDEDLO C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1c1ccc(F)cc1C#N ZINC000374153218 446355558 /nfs/dbraw/zinc/35/55/58/446355558.db2.gz GHTWDBWRYZHLAX-YOEHRIQHSA-N 1 2 332.423 1.538 20 30 EDEDLO C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1c1ccc(F)cc1C#N ZINC000374153218 446355561 /nfs/dbraw/zinc/35/55/61/446355561.db2.gz GHTWDBWRYZHLAX-YOEHRIQHSA-N 1 2 332.423 1.538 20 30 EDEDLO Cc1cc(C#N)cc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1 ZINC000376188905 446372995 /nfs/dbraw/zinc/37/29/95/446372995.db2.gz RMGGXQXWSZIYCL-GOSISDBHSA-N 1 2 343.475 1.493 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000370695971 446391209 /nfs/dbraw/zinc/39/12/09/446391209.db2.gz AKRWMHBTYJSWLV-MAUKXSAKSA-N 1 2 335.448 1.599 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000370695971 446391221 /nfs/dbraw/zinc/39/12/21/446391221.db2.gz AKRWMHBTYJSWLV-MAUKXSAKSA-N 1 2 335.448 1.599 20 30 EDEDLO N#Cc1cccc(OCC[NH+]2CCN(C3(C(N)=O)CCCC3)CC2)c1 ZINC000370881779 446496938 /nfs/dbraw/zinc/49/69/38/446496938.db2.gz QYMWDYKLQHKVJH-UHFFFAOYSA-N 1 2 342.443 1.353 20 30 EDEDLO COc1ccc(O)cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000436239864 446727737 /nfs/dbraw/zinc/72/77/37/446727737.db2.gz OENZYQRCQNVHIC-UHFFFAOYSA-N 1 2 333.388 1.089 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)c1 ZINC000371291150 446747915 /nfs/dbraw/zinc/74/79/15/446747915.db2.gz IAFSZONQHDWHGU-INIZCTEOSA-N 1 2 327.344 1.736 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)c1 ZINC000371291150 446747923 /nfs/dbraw/zinc/74/79/23/446747923.db2.gz IAFSZONQHDWHGU-INIZCTEOSA-N 1 2 327.344 1.736 20 30 EDEDLO C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000454049519 446756727 /nfs/dbraw/zinc/75/67/27/446756727.db2.gz CHLJWVAZYADDFM-OAHLLOKOSA-N 1 2 342.399 1.469 20 30 EDEDLO CC(C)(CNC(=O)CN1CCc2c1cccc2C#N)[NH+]1CCOCC1 ZINC000420974917 446947396 /nfs/dbraw/zinc/94/73/96/446947396.db2.gz PLJMJFXYWIGDHU-UHFFFAOYSA-N 1 2 342.443 1.148 20 30 EDEDLO COCC(COC)[NH+]1CCN(C(=O)c2cccc(C#N)c2C)CC1 ZINC000412449101 446955224 /nfs/dbraw/zinc/95/52/24/446955224.db2.gz SWXDLBYYRREMGQ-UHFFFAOYSA-N 1 2 331.416 1.286 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1cc(C#N)n(C)c1 ZINC000377292464 447044860 /nfs/dbraw/zinc/04/48/60/447044860.db2.gz RDGWIDMWFPYCRH-SFHVURJKSA-N 1 2 348.410 1.526 20 30 EDEDLO Cc1cc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(C#N)cn1 ZINC000425212396 447065973 /nfs/dbraw/zinc/06/59/73/447065973.db2.gz VXGUFTKCMWGVAV-UHFFFAOYSA-N 1 2 334.387 1.265 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)no1 ZINC000375753711 447024495 /nfs/dbraw/zinc/02/44/95/447024495.db2.gz AGLLOHYPBZFIFU-CQSZACIVSA-N 1 2 330.392 1.213 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)no1 ZINC000375753711 447024501 /nfs/dbraw/zinc/02/45/01/447024501.db2.gz AGLLOHYPBZFIFU-CQSZACIVSA-N 1 2 330.392 1.213 20 30 EDEDLO C=CCC[C@H](C(=O)N[C@@H](CO)C[NH+]1CCOCC1)c1ccccc1 ZINC000425294259 447100572 /nfs/dbraw/zinc/10/05/72/447100572.db2.gz MMTYOSAXOQYKGV-MSOLQXFVSA-N 1 2 332.444 1.546 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444806196 447138431 /nfs/dbraw/zinc/13/84/31/447138431.db2.gz UCNDTTDUZBRVEB-LSDHHAIUSA-N 1 2 330.494 1.699 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444806196 447138438 /nfs/dbraw/zinc/13/84/38/447138438.db2.gz UCNDTTDUZBRVEB-LSDHHAIUSA-N 1 2 330.494 1.699 20 30 EDEDLO C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000445553469 447185309 /nfs/dbraw/zinc/18/53/09/447185309.db2.gz XXHJAJMFDAGRLW-CQSZACIVSA-N 1 2 347.440 1.537 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000413951771 447266430 /nfs/dbraw/zinc/26/64/30/447266430.db2.gz CGCDSEAMNWSCIR-QGZVFWFLSA-N 1 2 329.444 1.986 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000414123223 447277061 /nfs/dbraw/zinc/27/70/61/447277061.db2.gz BPFNRDUVYAVSTB-LBPRGKRZSA-N 1 2 330.344 1.728 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000414123223 447277067 /nfs/dbraw/zinc/27/70/67/447277067.db2.gz BPFNRDUVYAVSTB-LBPRGKRZSA-N 1 2 330.344 1.728 20 30 EDEDLO C=CCC[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456758914 447453911 /nfs/dbraw/zinc/45/39/11/447453911.db2.gz QVHLOIOVHBGUBM-CYBMUJFWSA-N 1 2 330.344 1.837 20 30 EDEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)Cn1cnc(C#N)n1 ZINC000426866035 447509509 /nfs/dbraw/zinc/50/95/09/447509509.db2.gz FAMQSTKMJYHYLD-UHFFFAOYSA-N 1 2 335.371 1.053 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000457518881 447585173 /nfs/dbraw/zinc/58/51/73/447585173.db2.gz DZQBLCRXDYTWIV-ZWKOTPCHSA-N 1 2 347.459 1.686 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000396813851 447547392 /nfs/dbraw/zinc/54/73/92/447547392.db2.gz TVNROPHWEQUWMA-TZMCWYRMSA-N 1 2 325.206 1.496 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000396813851 447547397 /nfs/dbraw/zinc/54/73/97/447547397.db2.gz TVNROPHWEQUWMA-TZMCWYRMSA-N 1 2 325.206 1.496 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000416783224 447687544 /nfs/dbraw/zinc/68/75/44/447687544.db2.gz ZMTQYAMGLJNMPK-UHFFFAOYSA-N 1 2 332.404 1.799 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000451898142 447777416 /nfs/dbraw/zinc/77/74/16/447777416.db2.gz ITTJOIFIDCWARK-QGZVFWFLSA-N 1 2 334.441 1.834 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000451898142 447777419 /nfs/dbraw/zinc/77/74/19/447777419.db2.gz ITTJOIFIDCWARK-QGZVFWFLSA-N 1 2 334.441 1.834 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(OC)cn2)CC1 ZINC000452060179 447808931 /nfs/dbraw/zinc/80/89/31/447808931.db2.gz QMMTYUWLRWONKS-HNNXBMFYSA-N 1 2 345.447 1.220 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000489720035 447869810 /nfs/dbraw/zinc/86/98/10/447869810.db2.gz KVWQLSDSQODINK-RYUDHWBXSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000489720035 447869814 /nfs/dbraw/zinc/86/98/14/447869814.db2.gz KVWQLSDSQODINK-RYUDHWBXSA-N 1 2 325.409 1.801 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCOC2)CC1 ZINC000491165663 447944863 /nfs/dbraw/zinc/94/48/63/447944863.db2.gz MQSLDSSECFKUPE-JKSUJKDBSA-N 1 2 331.464 1.583 20 30 EDEDLO CC[C@](C)(C#N)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496829129 447948980 /nfs/dbraw/zinc/94/89/80/447948980.db2.gz QSPMBAGOILEPCU-CXAGYDPISA-N 1 2 338.452 1.594 20 30 EDEDLO CC[C@](C)(C#N)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496829129 447948987 /nfs/dbraw/zinc/94/89/87/447948987.db2.gz QSPMBAGOILEPCU-CXAGYDPISA-N 1 2 338.452 1.594 20 30 EDEDLO C#CCn1ccc(CN(CCOC)c2nc(N)c3ccccc3[nH+]2)n1 ZINC000491243428 447970976 /nfs/dbraw/zinc/97/09/76/447970976.db2.gz XCOUJXHQAIOYMS-UHFFFAOYSA-N 1 2 336.399 1.695 20 30 EDEDLO Cn1ccnc1[C@@H](NC[C@H](O)C[N@H+](C)CCC#N)c1ccccc1F ZINC000570837376 448072404 /nfs/dbraw/zinc/07/24/04/448072404.db2.gz RMMPBWMRUBDDHV-YOEHRIQHSA-N 1 2 345.422 1.445 20 30 EDEDLO Cn1ccnc1[C@@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1ccccc1F ZINC000570837376 448072412 /nfs/dbraw/zinc/07/24/12/448072412.db2.gz RMMPBWMRUBDDHV-YOEHRIQHSA-N 1 2 345.422 1.445 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CN1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O ZINC000491696846 448082106 /nfs/dbraw/zinc/08/21/06/448082106.db2.gz KAMMMOCXHGJPOQ-ZIAGYGMSSA-N 1 2 336.436 1.254 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CN1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O ZINC000491696846 448082109 /nfs/dbraw/zinc/08/21/09/448082109.db2.gz KAMMMOCXHGJPOQ-ZIAGYGMSSA-N 1 2 336.436 1.254 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000526056807 448088741 /nfs/dbraw/zinc/08/87/41/448088741.db2.gz FDXKSGMBBNMQKX-PWSUYJOCSA-N 1 2 333.354 1.573 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2cn(-c3ccccc3C)nn2)CC1 ZINC000491780066 448118977 /nfs/dbraw/zinc/11/89/77/448118977.db2.gz DFGGONVIGXJUJN-UHFFFAOYSA-N 1 2 337.427 1.537 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000527163613 448174512 /nfs/dbraw/zinc/17/45/12/448174512.db2.gz UEIWFGMTPBPOCP-YOEHRIQHSA-N 1 2 326.400 1.077 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000527163613 448174516 /nfs/dbraw/zinc/17/45/16/448174516.db2.gz UEIWFGMTPBPOCP-YOEHRIQHSA-N 1 2 326.400 1.077 20 30 EDEDLO Cc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000571526613 448166836 /nfs/dbraw/zinc/16/68/36/448166836.db2.gz IZHJBJASQUMCSE-QGZVFWFLSA-N 1 2 329.379 1.894 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\c1cccc(O)c1 ZINC000492519036 448230728 /nfs/dbraw/zinc/23/07/28/448230728.db2.gz DNFLVSCNOZBYMR-WAYWQWQTSA-N 1 2 329.400 1.480 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562361565 448249074 /nfs/dbraw/zinc/24/90/74/448249074.db2.gz KRLWNZVJCRKJAK-INIZCTEOSA-N 1 2 341.459 1.888 20 30 EDEDLO N#CC1(c2ccc(C(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)CC1 ZINC000562933024 448275495 /nfs/dbraw/zinc/27/54/95/448275495.db2.gz MZPPPLXDLNSLDB-CALCHBBNSA-N 1 2 325.412 1.835 20 30 EDEDLO N#CC1(c2ccc(C(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)CC1 ZINC000562933024 448275501 /nfs/dbraw/zinc/27/55/01/448275501.db2.gz MZPPPLXDLNSLDB-CALCHBBNSA-N 1 2 325.412 1.835 20 30 EDEDLO C[C@@H]1C[N@H+](C)C[C@H](C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)O1 ZINC000527541765 448254661 /nfs/dbraw/zinc/25/46/61/448254661.db2.gz FLZOPSSLJCCZFW-IRUJWGPZSA-N 1 2 327.306 1.996 20 30 EDEDLO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)O1 ZINC000527541765 448254663 /nfs/dbraw/zinc/25/46/63/448254663.db2.gz FLZOPSSLJCCZFW-IRUJWGPZSA-N 1 2 327.306 1.996 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)C1=O ZINC000532463337 448263169 /nfs/dbraw/zinc/26/31/69/448263169.db2.gz XZYZCZHVPWDHDX-MGMWPHTOSA-N 1 2 345.487 1.646 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)C1=O ZINC000532463337 448263174 /nfs/dbraw/zinc/26/31/74/448263174.db2.gz XZYZCZHVPWDHDX-MGMWPHTOSA-N 1 2 345.487 1.646 20 30 EDEDLO COc1ccc(-n2cnnc2SC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000591241255 448296280 /nfs/dbraw/zinc/29/62/80/448296280.db2.gz RIVJXFOJCCOVTG-AWEZNQCLSA-N 1 2 347.444 1.574 20 30 EDEDLO COc1ccc(-n2cnnc2SC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000591241255 448296289 /nfs/dbraw/zinc/29/62/89/448296289.db2.gz RIVJXFOJCCOVTG-AWEZNQCLSA-N 1 2 347.444 1.574 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCCCC#N)C(C)(C)CO ZINC000563434761 448302698 /nfs/dbraw/zinc/30/26/98/448302698.db2.gz QQJAYTXCQTYQOW-LBPRGKRZSA-N 1 2 328.438 1.093 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1C ZINC000565502382 448369759 /nfs/dbraw/zinc/36/97/59/448369759.db2.gz CFYCUGCVDAJSBI-AEFFLSMTSA-N 1 2 345.443 1.225 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1C ZINC000565502382 448369765 /nfs/dbraw/zinc/36/97/65/448369765.db2.gz CFYCUGCVDAJSBI-AEFFLSMTSA-N 1 2 345.443 1.225 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)cn1)C1CCOCC1 ZINC000516099463 448380076 /nfs/dbraw/zinc/38/00/76/448380076.db2.gz BMIZWMUDBQRRGS-HNNXBMFYSA-N 1 2 325.372 1.584 20 30 EDEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000534314510 448444076 /nfs/dbraw/zinc/44/40/76/448444076.db2.gz JBOXRYWOPQBUJB-IAGOWNOFSA-N 1 2 348.468 1.698 20 30 EDEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000534314510 448444081 /nfs/dbraw/zinc/44/40/81/448444081.db2.gz JBOXRYWOPQBUJB-IAGOWNOFSA-N 1 2 348.468 1.698 20 30 EDEDLO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](c1nccn1C)c1ccccc1 ZINC000591723955 448472833 /nfs/dbraw/zinc/47/28/33/448472833.db2.gz UXOIMBZCDBESDI-IRXDYDNUSA-N 1 2 327.432 1.305 20 30 EDEDLO Cn1ccnc1[C@@H](NC[C@H](O)C[N@H+](C)CCC#N)c1ccccc1 ZINC000591723955 448472838 /nfs/dbraw/zinc/47/28/38/448472838.db2.gz UXOIMBZCDBESDI-IRXDYDNUSA-N 1 2 327.432 1.305 20 30 EDEDLO Cn1ccnc1[C@@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1ccccc1 ZINC000591723955 448472840 /nfs/dbraw/zinc/47/28/40/448472840.db2.gz UXOIMBZCDBESDI-IRXDYDNUSA-N 1 2 327.432 1.305 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CCCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000591819448 448497747 /nfs/dbraw/zinc/49/77/47/448497747.db2.gz DNRAKFRXIUZPNO-UHFFFAOYSA-N 1 2 336.443 1.888 20 30 EDEDLO Cn1ccnc1C[N@H+]1CCCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000591819448 448497752 /nfs/dbraw/zinc/49/77/52/448497752.db2.gz DNRAKFRXIUZPNO-UHFFFAOYSA-N 1 2 336.443 1.888 20 30 EDEDLO N#Cc1nccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)n1 ZINC000566825558 448564556 /nfs/dbraw/zinc/56/45/56/448564556.db2.gz BZQDQRAHSQGWRO-UHFFFAOYSA-N 1 2 339.399 1.093 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000566857942 448573760 /nfs/dbraw/zinc/57/37/60/448573760.db2.gz AVGTZLQWTGFLSE-GOSISDBHSA-N 1 2 331.416 1.739 20 30 EDEDLO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1 ZINC000567046936 448605226 /nfs/dbraw/zinc/60/52/26/448605226.db2.gz SMPRDYJMSINTDM-HNJNHCNJSA-N 1 2 328.416 1.855 20 30 EDEDLO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000567046937 448605590 /nfs/dbraw/zinc/60/55/90/448605590.db2.gz SMPRDYJMSINTDM-MRAWALMUSA-N 1 2 328.416 1.855 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCSC[C@@H]2C2CC2)nc1 ZINC000573417000 448619225 /nfs/dbraw/zinc/61/92/25/448619225.db2.gz DQMFPXVORXIADM-CQSZACIVSA-N 1 2 337.470 1.554 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCSC[C@@H]2C2CC2)nc1 ZINC000573417000 448619232 /nfs/dbraw/zinc/61/92/32/448619232.db2.gz DQMFPXVORXIADM-CQSZACIVSA-N 1 2 337.470 1.554 20 30 EDEDLO N#CC[C@@]1(O)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000591931327 448587428 /nfs/dbraw/zinc/58/74/28/448587428.db2.gz WEVGJNNWKHMCMP-QGZVFWFLSA-N 1 2 343.362 1.571 20 30 EDEDLO CNc1nc(N2CCN(c3cnccc3C#N)CC2)[nH+]c2ccccc21 ZINC000518691136 448699958 /nfs/dbraw/zinc/69/99/58/448699958.db2.gz MWXNKDBRJITTCN-UHFFFAOYSA-N 1 2 345.410 2.265 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1C ZINC000592147839 448707357 /nfs/dbraw/zinc/70/73/57/448707357.db2.gz SLCHNDRHFYPFAU-IBGZPJMESA-N 1 2 340.427 1.901 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1C ZINC000592147839 448707361 /nfs/dbraw/zinc/70/73/61/448707361.db2.gz SLCHNDRHFYPFAU-IBGZPJMESA-N 1 2 340.427 1.901 20 30 EDEDLO COc1cccc2sc(NC(=O)C[N@@H+]3CC[C@](O)(CC#N)C3)nc21 ZINC000592150401 448712395 /nfs/dbraw/zinc/71/23/95/448712395.db2.gz BRLVFTCXZOVVJK-MRXNPFEDSA-N 1 2 346.412 1.594 20 30 EDEDLO COc1cccc2sc(NC(=O)C[N@H+]3CC[C@](O)(CC#N)C3)nc21 ZINC000592150401 448712397 /nfs/dbraw/zinc/71/23/97/448712397.db2.gz BRLVFTCXZOVVJK-MRXNPFEDSA-N 1 2 346.412 1.594 20 30 EDEDLO CN(CCC#N)C[C@H](O)C[NH2+][C@H](c1nccn1C)c1ccc(F)cc1 ZINC000567679917 448736121 /nfs/dbraw/zinc/73/61/21/448736121.db2.gz IVEDMCXASGSWJP-SJORKVTESA-N 1 2 345.422 1.445 20 30 EDEDLO Cn1ccnc1[C@@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1ccc(F)cc1 ZINC000567679917 448736127 /nfs/dbraw/zinc/73/61/27/448736127.db2.gz IVEDMCXASGSWJP-SJORKVTESA-N 1 2 345.422 1.445 20 30 EDEDLO Cn1ccnc1[C@@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1ccc(F)cc1 ZINC000567679917 448736131 /nfs/dbraw/zinc/73/61/31/448736131.db2.gz IVEDMCXASGSWJP-SJORKVTESA-N 1 2 345.422 1.445 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)c1C ZINC000592201993 448738874 /nfs/dbraw/zinc/73/88/74/448738874.db2.gz OOICWFRONSKZJM-CABCVRRESA-N 1 2 334.416 1.329 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)c1C ZINC000592201993 448738878 /nfs/dbraw/zinc/73/88/78/448738878.db2.gz OOICWFRONSKZJM-CABCVRRESA-N 1 2 334.416 1.329 20 30 EDEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C#N)ncn3)CC2)n1 ZINC000519518434 448774846 /nfs/dbraw/zinc/77/48/46/448774846.db2.gz SPDRXNUKXMUOAC-GFCCVEGCSA-N 1 2 343.391 1.151 20 30 EDEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cc(C#N)ncn3)CC2)n1 ZINC000519518434 448774852 /nfs/dbraw/zinc/77/48/52/448774852.db2.gz SPDRXNUKXMUOAC-GFCCVEGCSA-N 1 2 343.391 1.151 20 30 EDEDLO CCc1ccccc1N1C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1=O ZINC000567995374 448795628 /nfs/dbraw/zinc/79/56/28/448795628.db2.gz IQVXKWALGARMFM-BEFAXECRSA-N 1 2 342.443 1.562 20 30 EDEDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000529642912 448915225 /nfs/dbraw/zinc/91/52/25/448915225.db2.gz OXMKBSUWOGNMBO-QGZVFWFLSA-N 1 2 346.431 1.499 20 30 EDEDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000529642912 448915226 /nfs/dbraw/zinc/91/52/26/448915226.db2.gz OXMKBSUWOGNMBO-QGZVFWFLSA-N 1 2 346.431 1.499 20 30 EDEDLO C[C@@H]1CO[C@@H](CO)C[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000521185167 448959977 /nfs/dbraw/zinc/95/99/77/448959977.db2.gz XWTKNIIYJXLMCK-XYPHTWIQSA-N 1 2 329.400 1.135 20 30 EDEDLO C[C@@H]1CO[C@@H](CO)C[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000521185167 448959979 /nfs/dbraw/zinc/95/99/79/448959979.db2.gz XWTKNIIYJXLMCK-XYPHTWIQSA-N 1 2 329.400 1.135 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000582099101 449008594 /nfs/dbraw/zinc/00/85/94/449008594.db2.gz UCCWSWXTKVYPOW-ZFWWWQNUSA-N 1 2 336.457 1.578 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000582099101 449008599 /nfs/dbraw/zinc/00/85/99/449008599.db2.gz UCCWSWXTKVYPOW-ZFWWWQNUSA-N 1 2 336.457 1.578 20 30 EDEDLO CC1CCN(c2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn2)CC1 ZINC000575049525 449022695 /nfs/dbraw/zinc/02/26/95/449022695.db2.gz FMSPCFMIUHQLBS-SFHVURJKSA-N 1 2 329.448 1.892 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000595621409 449085240 /nfs/dbraw/zinc/08/52/40/449085240.db2.gz OEUMBIQFVRYSOW-MNOVXSKESA-N 1 2 347.337 1.222 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000595621409 449085245 /nfs/dbraw/zinc/08/52/45/449085245.db2.gz OEUMBIQFVRYSOW-MNOVXSKESA-N 1 2 347.337 1.222 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1C#N ZINC000597856833 449125753 /nfs/dbraw/zinc/12/57/53/449125753.db2.gz AZQKOWUODRQXHZ-LLVKDONJSA-N 1 2 334.445 1.983 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1C#N ZINC000597856833 449125757 /nfs/dbraw/zinc/12/57/57/449125757.db2.gz AZQKOWUODRQXHZ-LLVKDONJSA-N 1 2 334.445 1.983 20 30 EDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000597857966 449126664 /nfs/dbraw/zinc/12/66/64/449126664.db2.gz OIODFRPBLRZCEL-ZDUSSCGKSA-N 1 2 327.363 1.905 20 30 EDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000597857966 449126665 /nfs/dbraw/zinc/12/66/65/449126665.db2.gz OIODFRPBLRZCEL-ZDUSSCGKSA-N 1 2 327.363 1.905 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593076922 449124231 /nfs/dbraw/zinc/12/42/31/449124231.db2.gz VFTGWFTZPCOYCT-UHFFFAOYSA-N 1 2 330.417 1.562 20 30 EDEDLO C[C@H](c1ccccc1)N1C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1=O ZINC000593155556 449154718 /nfs/dbraw/zinc/15/47/18/449154718.db2.gz BWFNVPAHXGJJDQ-ALKREAHSSA-N 1 2 342.443 1.556 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(C#N)c1C ZINC000595738457 449139820 /nfs/dbraw/zinc/13/98/20/449139820.db2.gz ILXDBADQYDTMRX-WHOFXGATSA-N 1 2 344.415 1.696 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(C#N)c1C ZINC000595738457 449139826 /nfs/dbraw/zinc/13/98/26/449139826.db2.gz ILXDBADQYDTMRX-WHOFXGATSA-N 1 2 344.415 1.696 20 30 EDEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C[C@H]1COCCO1 ZINC000595739248 449140561 /nfs/dbraw/zinc/14/05/61/449140561.db2.gz YOFVSBMDZICWFQ-ZDUSSCGKSA-N 1 2 335.429 1.588 20 30 EDEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)C[C@H]1COCCO1 ZINC000595739248 449140562 /nfs/dbraw/zinc/14/05/62/449140562.db2.gz YOFVSBMDZICWFQ-ZDUSSCGKSA-N 1 2 335.429 1.588 20 30 EDEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC(CC#N)C1 ZINC000598029659 449205000 /nfs/dbraw/zinc/20/50/00/449205000.db2.gz BUFCFYKNTIGBCB-UHFFFAOYSA-N 1 2 335.429 1.008 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)C1CC1 ZINC000611137898 449183064 /nfs/dbraw/zinc/18/30/64/449183064.db2.gz KHCDOVBQIYWVQY-SOLBZPMBSA-N 1 2 331.391 1.742 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)C1CC1 ZINC000611137898 449183067 /nfs/dbraw/zinc/18/30/67/449183067.db2.gz KHCDOVBQIYWVQY-SOLBZPMBSA-N 1 2 331.391 1.742 20 30 EDEDLO N#CC1(NC(=O)C[NH2+][C@H](CO)c2ccc(F)cc2F)CCCCC1 ZINC000595866087 449218842 /nfs/dbraw/zinc/21/88/42/449218842.db2.gz CZSRFGSIIBOIJK-OAHLLOKOSA-N 1 2 337.370 1.930 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000593886720 449263430 /nfs/dbraw/zinc/26/34/30/449263430.db2.gz NVLNKTWHRNFCDE-UHFFFAOYSA-N 1 2 349.406 1.047 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCOCCF)CC2)cc1 ZINC000595872702 449223590 /nfs/dbraw/zinc/22/35/90/449223590.db2.gz DZPFOXPVYYPQHW-UHFFFAOYSA-N 1 2 334.395 1.372 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2ccncc2c1 ZINC000593442512 449286681 /nfs/dbraw/zinc/28/66/81/449286681.db2.gz BYGKPCCURXICBY-UHFFFAOYSA-N 1 2 338.411 1.923 20 30 EDEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cc(C#N)cnn3)CC2)C1 ZINC000596119127 449372115 /nfs/dbraw/zinc/37/21/15/449372115.db2.gz JZWMOYNZQQMTHS-GOEBONIOSA-N 1 2 342.447 1.165 20 30 EDEDLO CC[C@@H]1CN(c2cc(C)[nH+]c(N3C[C@H](O)[C@@H](CC)C3)c2C#N)C[C@H]1O ZINC000596179373 449400014 /nfs/dbraw/zinc/40/00/14/449400014.db2.gz PAGZHGOYUSKGTG-NONVJHHQSA-N 1 2 344.459 1.676 20 30 EDEDLO Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)c3[nH+]ccn3C)CC2)o1 ZINC000598466034 449408853 /nfs/dbraw/zinc/40/88/53/449408853.db2.gz WFEUDJFDIHJYGO-NSHDSACASA-N 1 2 342.403 1.682 20 30 EDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000594260610 449416500 /nfs/dbraw/zinc/41/65/00/449416500.db2.gz JEYDXDKJEJXQAE-HNNXBMFYSA-N 1 2 329.444 1.964 20 30 EDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000594260610 449416507 /nfs/dbraw/zinc/41/65/07/449416507.db2.gz JEYDXDKJEJXQAE-HNNXBMFYSA-N 1 2 329.444 1.964 20 30 EDEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CC2 ZINC000611790720 449422527 /nfs/dbraw/zinc/42/25/27/449422527.db2.gz MMBLEHPFJCNVRA-UHFFFAOYSA-N 1 2 347.356 1.176 20 30 EDEDLO CCc1nc(C#N)cc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1 ZINC000596157560 449389453 /nfs/dbraw/zinc/38/94/53/449389453.db2.gz YFIKQYLDBDCLJS-CQSZACIVSA-N 1 2 342.447 1.044 20 30 EDEDLO N#Cc1ccc(-c2ccc(N3CCC(C(N)=O)CC3)[nH+]c2)c(CO)c1 ZINC000600780369 449544539 /nfs/dbraw/zinc/54/45/39/449544539.db2.gz LQXNXDGBMBWKGC-UHFFFAOYSA-N 1 2 336.395 1.814 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612165360 449595090 /nfs/dbraw/zinc/59/50/90/449595090.db2.gz KLYLNTWBLUIILL-QAPCUYQASA-N 1 2 332.400 1.839 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612165360 449595095 /nfs/dbraw/zinc/59/50/95/449595095.db2.gz KLYLNTWBLUIILL-QAPCUYQASA-N 1 2 332.400 1.839 20 30 EDEDLO N#Cc1ccc(CCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000596676181 449601400 /nfs/dbraw/zinc/60/14/00/449601400.db2.gz URCZKYSNGPLHLD-CALCHBBNSA-N 1 2 328.416 1.263 20 30 EDEDLO N#Cc1ccc(CCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000596676181 449601406 /nfs/dbraw/zinc/60/14/06/449601406.db2.gz URCZKYSNGPLHLD-CALCHBBNSA-N 1 2 328.416 1.263 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000596688735 449607549 /nfs/dbraw/zinc/60/75/49/449607549.db2.gz UBFLSQRVHSFKKP-VQIMIIECSA-N 1 2 349.438 1.924 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000596688735 449607552 /nfs/dbraw/zinc/60/75/52/449607552.db2.gz UBFLSQRVHSFKKP-VQIMIIECSA-N 1 2 349.438 1.924 20 30 EDEDLO C[C@]1(C2CC2)C[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000594659265 449613288 /nfs/dbraw/zinc/61/32/88/449613288.db2.gz AJSMFFGPOGQQDK-VQIMIIECSA-N 1 2 339.395 1.691 20 30 EDEDLO C[C@]1(C2CC2)C[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000594659265 449613293 /nfs/dbraw/zinc/61/32/93/449613293.db2.gz AJSMFFGPOGQQDK-VQIMIIECSA-N 1 2 339.395 1.691 20 30 EDEDLO Cc1c(C#N)c(=O)n(Cc2[nH+]ccn2-c2ccccc2)c(=O)n1C1CC1 ZINC000601092749 449686124 /nfs/dbraw/zinc/68/61/24/449686124.db2.gz MXTGYNSGUXWLEX-UHFFFAOYSA-N 1 2 347.378 1.759 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(C#N)ccc1Br ZINC000601069488 449679552 /nfs/dbraw/zinc/67/95/52/449679552.db2.gz MKIIFNMWKUWDTI-GFCCVEGCSA-N 1 2 338.205 1.906 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(C#N)ccc1Br ZINC000601069488 449679556 /nfs/dbraw/zinc/67/95/56/449679556.db2.gz MKIIFNMWKUWDTI-GFCCVEGCSA-N 1 2 338.205 1.906 20 30 EDEDLO COc1cc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)sn1 ZINC000601082834 449683431 /nfs/dbraw/zinc/68/34/31/449683431.db2.gz RNILKOZXOHIZCY-UHFFFAOYSA-N 1 2 346.412 1.066 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(COC2CCCCC2)c1=O ZINC000601082057 449683704 /nfs/dbraw/zinc/68/37/04/449683704.db2.gz BQWFCRGKSPWKOJ-UHFFFAOYSA-N 1 2 331.416 1.859 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC3(C#N)CCCCC3)C2)CC1 ZINC000596865590 449695764 /nfs/dbraw/zinc/69/57/64/449695764.db2.gz DGCMXDSQXKSOFC-QGZVFWFLSA-N 1 2 347.507 1.882 20 30 EDEDLO C[C@@H]1C[N@H+](CCNS(=O)(=O)CC2(C#N)CCCC2)[C@H](C)CO1 ZINC000594817422 449726515 /nfs/dbraw/zinc/72/65/15/449726515.db2.gz QYWFHHUDCGFVNG-ZIAGYGMSSA-N 1 2 329.466 1.099 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNS(=O)(=O)CC2(C#N)CCCC2)[C@H](C)CO1 ZINC000594817422 449726520 /nfs/dbraw/zinc/72/65/20/449726520.db2.gz QYWFHHUDCGFVNG-ZIAGYGMSSA-N 1 2 329.466 1.099 20 30 EDEDLO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)CCOCC1 ZINC000614667383 449749723 /nfs/dbraw/zinc/74/97/23/449749723.db2.gz BKHOCAYGCRVJGA-OAHLLOKOSA-N 1 2 348.447 1.771 20 30 EDEDLO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)CCOCC1 ZINC000614667383 449749729 /nfs/dbraw/zinc/74/97/29/449749729.db2.gz BKHOCAYGCRVJGA-OAHLLOKOSA-N 1 2 348.447 1.771 20 30 EDEDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000601224388 449760077 /nfs/dbraw/zinc/76/00/77/449760077.db2.gz FJXIMRJKMYUNCF-AWEZNQCLSA-N 1 2 333.436 1.909 20 30 EDEDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000601224388 449760087 /nfs/dbraw/zinc/76/00/87/449760087.db2.gz FJXIMRJKMYUNCF-AWEZNQCLSA-N 1 2 333.436 1.909 20 30 EDEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCN(c3ccccc3C#N)CC1)CC2 ZINC000599253186 449833830 /nfs/dbraw/zinc/83/38/30/449833830.db2.gz KSYUYFAHZYSETL-INIZCTEOSA-N 1 2 349.438 1.974 20 30 EDEDLO COc1cccc(CNC(=O)[C@@H](C)[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602855803 449862035 /nfs/dbraw/zinc/86/20/35/449862035.db2.gz ITUSWLAKCITCRU-OWCLPIDISA-N 1 2 344.459 1.618 20 30 EDEDLO COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602855803 449862040 /nfs/dbraw/zinc/86/20/40/449862040.db2.gz ITUSWLAKCITCRU-OWCLPIDISA-N 1 2 344.459 1.618 20 30 EDEDLO Cc1cccc(OCCNC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602857878 449866222 /nfs/dbraw/zinc/86/62/22/449866222.db2.gz WKZXNNBDEYSBGY-IRXDYDNUSA-N 1 2 344.459 1.408 20 30 EDEDLO C[C@@H](CC#N)[NH2+]CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000602861358 449871692 /nfs/dbraw/zinc/87/16/92/449871692.db2.gz HISNEKQOMIQQNZ-AWEZNQCLSA-N 1 2 334.464 1.566 20 30 EDEDLO N#CC1(CNC(=O)C(=O)NCCCCn2cc[nH+]c2)CCCCC1 ZINC000597211236 449873278 /nfs/dbraw/zinc/87/32/78/449873278.db2.gz JZKQTVCOJKZQOR-UHFFFAOYSA-N 1 2 331.420 1.370 20 30 EDEDLO Cn1ccc2c1cccc2C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000608879086 449948269 /nfs/dbraw/zinc/94/82/69/449948269.db2.gz FFIINYXXBPTUFM-UHFFFAOYSA-N 1 2 340.427 1.866 20 30 EDEDLO N#Cc1ccc(C2CC[NH+](Cc3cc(=O)n4[nH]ccc4n3)CC2)nc1 ZINC000602908826 449913487 /nfs/dbraw/zinc/91/34/87/449913487.db2.gz UMZPYSXTOJCIBO-UHFFFAOYSA-N 1 2 334.383 1.669 20 30 EDEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599354918 449914012 /nfs/dbraw/zinc/91/40/12/449914012.db2.gz YLEGBZGUQYWMAI-HOTGVXAUSA-N 1 2 348.447 1.471 20 30 EDEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599354918 449914016 /nfs/dbraw/zinc/91/40/16/449914016.db2.gz YLEGBZGUQYWMAI-HOTGVXAUSA-N 1 2 348.447 1.471 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000603003465 449999856 /nfs/dbraw/zinc/99/98/56/449999856.db2.gz ZKZHBICBZXIKEN-YOEHRIQHSA-N 1 2 326.437 1.454 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000603003465 449999860 /nfs/dbraw/zinc/99/98/60/449999860.db2.gz ZKZHBICBZXIKEN-YOEHRIQHSA-N 1 2 326.437 1.454 20 30 EDEDLO N#CC1(CNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000597401786 450002027 /nfs/dbraw/zinc/00/20/27/450002027.db2.gz ZFCIXMUTRNBMLJ-AWEZNQCLSA-N 1 2 343.431 1.706 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 ZINC000595295326 450009456 /nfs/dbraw/zinc/00/94/56/450009456.db2.gz ITLRAUZMFGVJOV-HZPDHXFCSA-N 1 2 329.448 1.184 20 30 EDEDLO N#CCN1CCC(NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000609341834 450015986 /nfs/dbraw/zinc/01/59/86/450015986.db2.gz ZVEGLNHDFVGTRS-UHFFFAOYSA-N 1 2 338.415 1.659 20 30 EDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000599587365 450087365 /nfs/dbraw/zinc/08/73/65/450087365.db2.gz RQYMCIXULLPLQK-HOCLYGCPSA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000599587365 450087367 /nfs/dbraw/zinc/08/73/67/450087367.db2.gz RQYMCIXULLPLQK-HOCLYGCPSA-N 1 2 346.383 1.364 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccccc1CC#N ZINC000601679907 450164717 /nfs/dbraw/zinc/16/47/17/450164717.db2.gz LZMWTBZSYASGGL-IBGZPJMESA-N 1 2 343.427 1.098 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccccc1CC#N ZINC000601679907 450164724 /nfs/dbraw/zinc/16/47/24/450164724.db2.gz LZMWTBZSYASGGL-IBGZPJMESA-N 1 2 343.427 1.098 20 30 EDEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)c1 ZINC000615631230 450175995 /nfs/dbraw/zinc/17/59/95/450175995.db2.gz BCMAXRMTWUWASA-QGZVFWFLSA-N 1 2 341.346 1.490 20 30 EDEDLO N#Cc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CCCC[C@@H]4NC3=O)CC2)n1 ZINC000595435408 450141210 /nfs/dbraw/zinc/14/12/10/450141210.db2.gz PJYWKJKCKRJGSV-HYVNUMGLSA-N 1 2 339.443 1.523 20 30 EDEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000610421357 450212133 /nfs/dbraw/zinc/21/21/33/450212133.db2.gz RGVJGRKBGATGBG-MRXNPFEDSA-N 1 2 327.363 1.431 20 30 EDEDLO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)cn1 ZINC000601728994 450193082 /nfs/dbraw/zinc/19/30/82/450193082.db2.gz OQYPBOKZBJDDRN-UHFFFAOYSA-N 1 2 336.395 1.546 20 30 EDEDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000601732261 450196435 /nfs/dbraw/zinc/19/64/35/450196435.db2.gz BNZJJPRCGVYVOP-SJORKVTESA-N 1 2 326.400 1.030 20 30 EDEDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000601732261 450196440 /nfs/dbraw/zinc/19/64/40/450196440.db2.gz BNZJJPRCGVYVOP-SJORKVTESA-N 1 2 326.400 1.030 20 30 EDEDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCCCC#N)C1 ZINC000595580128 450245734 /nfs/dbraw/zinc/24/57/34/450245734.db2.gz MWEFMDOUJHTCMV-QGZVFWFLSA-N 1 2 329.448 1.406 20 30 EDEDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCCCC#N)C1 ZINC000595580128 450245737 /nfs/dbraw/zinc/24/57/37/450245737.db2.gz MWEFMDOUJHTCMV-QGZVFWFLSA-N 1 2 329.448 1.406 20 30 EDEDLO C[C@@H](C#N)CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000610697744 450303030 /nfs/dbraw/zinc/30/30/30/450303030.db2.gz ULGRODAKNUAMPQ-ZDUSSCGKSA-N 1 2 329.404 1.355 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618813097 450309570 /nfs/dbraw/zinc/30/95/70/450309570.db2.gz VMYQRLJEPMHXPS-QGZVFWFLSA-N 1 2 342.443 1.956 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618813097 450309576 /nfs/dbraw/zinc/30/95/76/450309576.db2.gz VMYQRLJEPMHXPS-QGZVFWFLSA-N 1 2 342.443 1.956 20 30 EDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000619719128 450319543 /nfs/dbraw/zinc/31/95/43/450319543.db2.gz XDOQWKUIACMBCZ-INIZCTEOSA-N 1 2 334.391 1.882 20 30 EDEDLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618881353 450326484 /nfs/dbraw/zinc/32/64/84/450326484.db2.gz YCJVUGKEDXDRIZ-AWEZNQCLSA-N 1 2 336.351 1.704 20 30 EDEDLO C=CCN(CCc1ccccc1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631813354 450792065 /nfs/dbraw/zinc/79/20/65/450792065.db2.gz NPIHMQVDPPFJKB-QGZVFWFLSA-N 1 2 338.473 1.378 20 30 EDEDLO C=CCN(CCc1ccccc1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631813354 450792069 /nfs/dbraw/zinc/79/20/69/450792069.db2.gz NPIHMQVDPPFJKB-QGZVFWFLSA-N 1 2 338.473 1.378 20 30 EDEDLO C=CC(C)(C)CCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000624469948 450855466 /nfs/dbraw/zinc/85/54/66/450855466.db2.gz GWDVBODYFZCCAI-AWEZNQCLSA-N 1 2 336.480 1.583 20 30 EDEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632554274 451394822 /nfs/dbraw/zinc/39/48/22/451394822.db2.gz QPODJWQGXNMDDQ-UHFFFAOYSA-N 1 2 326.400 1.973 20 30 EDEDLO C=C(C)C[C@@H]1NC(=O)N(Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1=O ZINC000630966636 451512995 /nfs/dbraw/zinc/51/29/95/451512995.db2.gz HRIGAVMGGCSHMZ-HIFRSBDPSA-N 1 2 344.415 1.693 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)[C@H](C)c2ccccc2)nn1 ZINC000640856314 451641875 /nfs/dbraw/zinc/64/18/75/451641875.db2.gz PAGVRUSABZMTGT-OAHLLOKOSA-N 1 2 325.416 1.611 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(Cl)c3c(c2)OCCO3)nn1 ZINC000640860715 451645562 /nfs/dbraw/zinc/64/55/62/451645562.db2.gz VKUVNHIBOOFVSG-UHFFFAOYSA-N 1 2 332.791 1.864 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccccc2C(C)=O)nn1 ZINC000640909718 451685535 /nfs/dbraw/zinc/68/55/35/451685535.db2.gz WXBVKTNFSTYKSW-CYBMUJFWSA-N 1 2 339.399 1.793 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2nc(-c3ccc(F)c(C)c3)no2)nn1 ZINC000641123206 451755893 /nfs/dbraw/zinc/75/58/93/451755893.db2.gz IMNAOFQWBYOQAN-UHFFFAOYSA-N 1 2 340.362 1.937 20 30 EDEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(O)(CO)CC2)c2ccccc21 ZINC000661618248 452438240 /nfs/dbraw/zinc/43/82/40/452438240.db2.gz ZOHIFGBNBDOBJO-UHFFFAOYSA-N 1 2 341.411 1.557 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000665930047 452472304 /nfs/dbraw/zinc/47/23/04/452472304.db2.gz JQMCDTSUZIJUIB-KRWDZBQOSA-N 1 2 330.432 1.197 20 30 EDEDLO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CC[NH+](CCO)CC1 ZINC000648102999 452822674 /nfs/dbraw/zinc/82/26/74/452822674.db2.gz MCDBDKIRAALNHK-UHFFFAOYSA-N 1 2 334.419 1.837 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000646237659 453247194 /nfs/dbraw/zinc/24/71/94/453247194.db2.gz YQRXTVRKWAHGKL-INIZCTEOSA-N 1 2 331.416 1.415 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000646263186 453269842 /nfs/dbraw/zinc/26/98/42/453269842.db2.gz DESXSEHJAGVXHI-CRAIPNDOSA-N 1 2 345.443 1.976 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651332208 453476279 /nfs/dbraw/zinc/47/62/79/453476279.db2.gz PSYROIKMXSFESM-SJORKVTESA-N 1 2 340.427 1.777 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)nn1 ZINC000657301977 453759903 /nfs/dbraw/zinc/75/99/03/453759903.db2.gz LERAXQSSTJGZLN-UHFFFAOYSA-N 1 2 349.460 1.394 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2cccc(CS(C)(=O)=O)c2)nn1 ZINC000657339306 453769421 /nfs/dbraw/zinc/76/94/21/453769421.db2.gz AGQRGHWDAHOOHL-UHFFFAOYSA-N 1 2 334.445 1.689 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)nn1 ZINC000657359844 453774296 /nfs/dbraw/zinc/77/42/96/453774296.db2.gz ZOGJEXSLXJTFMC-QGZVFWFLSA-N 1 2 327.432 1.643 20 30 EDEDLO C=CCn1c(Nc2c(C)n[nH]c2C)nnc1[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000669010749 485548642 /nfs/dbraw/zinc/54/86/42/485548642.db2.gz DACQKDCHJBORQF-ZWNOBZJWSA-N 1 2 331.424 1.939 20 30 EDEDLO C=CCn1c(Nc2c(C)n[nH]c2C)nnc1[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000669010749 485548647 /nfs/dbraw/zinc/54/86/47/485548647.db2.gz DACQKDCHJBORQF-ZWNOBZJWSA-N 1 2 331.424 1.939 20 30 EDEDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329740431 485551827 /nfs/dbraw/zinc/55/18/27/485551827.db2.gz VJESRDHDUICEFX-QXSJWSMHSA-N 1 2 325.453 1.366 20 30 EDEDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329740431 485551834 /nfs/dbraw/zinc/55/18/34/485551834.db2.gz VJESRDHDUICEFX-QXSJWSMHSA-N 1 2 325.453 1.366 20 30 EDEDLO C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000124937750 526661360 /nfs/dbraw/zinc/66/13/60/526661360.db2.gz FBSYCMSTZQTGHK-CYBMUJFWSA-N 1 2 333.457 1.978 20 30 EDEDLO C=C(C)COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)ccc1OC ZINC000092008403 526661893 /nfs/dbraw/zinc/66/18/93/526661893.db2.gz NDBCHCBRNCSNAA-CXAGYDPISA-N 1 2 334.416 1.725 20 30 EDEDLO C=C(C)COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)ccc1OC ZINC000092008403 526661896 /nfs/dbraw/zinc/66/18/96/526661896.db2.gz NDBCHCBRNCSNAA-CXAGYDPISA-N 1 2 334.416 1.725 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000101553255 527526636 /nfs/dbraw/zinc/52/66/36/527526636.db2.gz DHIKCADIVSFTNK-INIZCTEOSA-N 1 2 348.491 1.908 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000101553255 527526640 /nfs/dbraw/zinc/52/66/40/527526640.db2.gz DHIKCADIVSFTNK-INIZCTEOSA-N 1 2 348.491 1.908 20 30 EDEDLO CCOc1cccc(/C=[NH+]/C[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1O ZINC000129373765 528627871 /nfs/dbraw/zinc/62/78/71/528627871.db2.gz OYLMMMOSRCKZTI-MVCPHERQSA-N 1 2 340.445 1.928 20 30 EDEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cscc2C#N)CC1 ZINC000340294126 535429964 /nfs/dbraw/zinc/42/99/64/535429964.db2.gz WVMGYZXWRPYGAI-UHFFFAOYSA-N 1 2 348.472 1.636 20 30 EDEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cscc2C#N)CC1 ZINC000340294126 535429969 /nfs/dbraw/zinc/42/99/69/535429969.db2.gz WVMGYZXWRPYGAI-UHFFFAOYSA-N 1 2 348.472 1.636 20 30 EDEDLO C[C@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)[N@@H+]1CCc2ccccc2C1 ZINC000740987815 579392360 /nfs/dbraw/zinc/39/23/60/579392360.db2.gz RZZCWJHKBHSXAZ-CQSZACIVSA-N 1 2 343.427 1.737 20 30 EDEDLO C[C@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)[N@H+]1CCc2ccccc2C1 ZINC000740987815 579392361 /nfs/dbraw/zinc/39/23/61/579392361.db2.gz RZZCWJHKBHSXAZ-CQSZACIVSA-N 1 2 343.427 1.737 20 30 EDEDLO C[C@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000740987162 579392435 /nfs/dbraw/zinc/39/24/35/579392435.db2.gz KIMZYHSOAGSJMQ-CABCVRRESA-N 1 2 343.427 1.737 20 30 EDEDLO C[C@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)[N@H+]1CCc2ccccc2C1 ZINC000740987162 579392436 /nfs/dbraw/zinc/39/24/36/579392436.db2.gz KIMZYHSOAGSJMQ-CABCVRRESA-N 1 2 343.427 1.737 20 30 EDEDLO Fc1c(Cl)cccc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000759647024 580011374 /nfs/dbraw/zinc/01/13/74/580011374.db2.gz USABGGHCLREAIJ-UHFFFAOYSA-N 1 2 344.843 1.609 20 30 EDEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(S(N)(=O)=O)cn2)cc1F ZINC000727651067 578536816 /nfs/dbraw/zinc/53/68/16/578536816.db2.gz GNQUAGPPVIDACU-UHFFFAOYSA-N 1 2 337.380 1.380 20 30 EDEDLO Fc1cc(C=NNC(=S)NCC[NH+]2CCOCC2)cc(F)c1F ZINC000727969713 578541707 /nfs/dbraw/zinc/54/17/07/578541707.db2.gz KKUQCTZCAATSPZ-UHFFFAOYSA-N 1 2 346.378 1.234 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nnc(-c2ccc(OC)cc2)[nH]1 ZINC000730284836 578639691 /nfs/dbraw/zinc/63/96/91/578639691.db2.gz FBNFLHVRKJFZGF-HNNXBMFYSA-N 1 2 339.399 1.194 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nnc(-c2ccc(OC)cc2)[nH]1 ZINC000730284836 578639692 /nfs/dbraw/zinc/63/96/92/578639692.db2.gz FBNFLHVRKJFZGF-HNNXBMFYSA-N 1 2 339.399 1.194 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000730284836 578639693 /nfs/dbraw/zinc/63/96/93/578639693.db2.gz FBNFLHVRKJFZGF-HNNXBMFYSA-N 1 2 339.399 1.194 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000730284836 578639694 /nfs/dbraw/zinc/63/96/94/578639694.db2.gz FBNFLHVRKJFZGF-HNNXBMFYSA-N 1 2 339.399 1.194 20 30 EDEDLO CCOC[C@@H](O)CN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000731212571 578670831 /nfs/dbraw/zinc/67/08/31/578670831.db2.gz FBLCHQOWOUOJPB-KRWDZBQOSA-N 1 2 333.432 1.104 20 30 EDEDLO Cc1ccn2cc(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)[nH+]c2c1 ZINC000732701672 578724730 /nfs/dbraw/zinc/72/47/30/578724730.db2.gz NQZGHENKCSWFPY-INIZCTEOSA-N 1 2 338.415 1.525 20 30 EDEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCSC1 ZINC000760886488 580040640 /nfs/dbraw/zinc/04/06/40/580040640.db2.gz AFDLTAUEIQRIGC-YPMHNXCESA-N 1 2 342.424 1.949 20 30 EDEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCSC1 ZINC000760886488 580040641 /nfs/dbraw/zinc/04/06/41/580040641.db2.gz AFDLTAUEIQRIGC-YPMHNXCESA-N 1 2 342.424 1.949 20 30 EDEDLO Cc1nc(-c2nn[nH]n2)c(N=NCc2c[nH+]c3ccc(Cl)cn23)o1 ZINC000737466822 579094715 /nfs/dbraw/zinc/09/47/15/579094715.db2.gz DHQWGNGXMKUQFO-UHFFFAOYSA-N 1 2 343.738 1.910 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000739761154 579247101 /nfs/dbraw/zinc/24/71/01/579247101.db2.gz SFDOBMYSZFUGGV-HOTGVXAUSA-N 1 2 345.830 1.659 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000739761154 579247102 /nfs/dbraw/zinc/24/71/02/579247102.db2.gz SFDOBMYSZFUGGV-HOTGVXAUSA-N 1 2 345.830 1.659 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000739912719 579266996 /nfs/dbraw/zinc/26/69/96/579266996.db2.gz RVFLPXBIZLVLEI-WMLDXEAASA-N 1 2 329.400 1.750 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000739912719 579266997 /nfs/dbraw/zinc/26/69/97/579266997.db2.gz RVFLPXBIZLVLEI-WMLDXEAASA-N 1 2 329.400 1.750 20 30 EDEDLO CNC(=O)[C@H](NC(=O)C[N@H+](CCC#N)CC(C)C)c1ccccc1 ZINC000739914892 579267462 /nfs/dbraw/zinc/26/74/62/579267462.db2.gz RJEYTPKDCABBMH-QGZVFWFLSA-N 1 2 330.432 1.462 20 30 EDEDLO CNC(=O)[C@H](NC(=O)C[N@@H+](CCC#N)CC(C)C)c1ccccc1 ZINC000739914892 579267463 /nfs/dbraw/zinc/26/74/63/579267463.db2.gz RJEYTPKDCABBMH-QGZVFWFLSA-N 1 2 330.432 1.462 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1cnc(C(=O)OC)n1 ZINC000746050421 579570777 /nfs/dbraw/zinc/57/07/77/579570777.db2.gz GYDCECVCQVBTNJ-UHFFFAOYSA-N 1 2 329.360 1.042 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1cnc(C(=O)OC)n1 ZINC000746050421 579570779 /nfs/dbraw/zinc/57/07/79/579570779.db2.gz GYDCECVCQVBTNJ-UHFFFAOYSA-N 1 2 329.360 1.042 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)[C@@H](C)c1ccccc1 ZINC000746366247 579589702 /nfs/dbraw/zinc/58/97/02/579589702.db2.gz KZKQEHBXKOPRHR-CQSZACIVSA-N 1 2 334.489 1.962 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@](C)(COC)CC1=O ZINC000747454564 579644451 /nfs/dbraw/zinc/64/44/51/579644451.db2.gz PSHLNEHJBIQQQI-LJQANCHMSA-N 1 2 345.443 1.849 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@](C)(COC)CC1=O ZINC000747454564 579644452 /nfs/dbraw/zinc/64/44/52/579644452.db2.gz PSHLNEHJBIQQQI-LJQANCHMSA-N 1 2 345.443 1.849 20 30 EDEDLO C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2C[N@H+](CC)CCO2)c1C ZINC000748460121 579687813 /nfs/dbraw/zinc/68/78/13/579687813.db2.gz RSUBPCIBUGHKAW-QGZVFWFLSA-N 1 2 334.416 1.738 20 30 EDEDLO C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2C[N@@H+](CC)CCO2)c1C ZINC000748460121 579687815 /nfs/dbraw/zinc/68/78/15/579687815.db2.gz RSUBPCIBUGHKAW-QGZVFWFLSA-N 1 2 334.416 1.738 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)Oc3ccc(C)cc32)CC1 ZINC000748823576 579702261 /nfs/dbraw/zinc/70/22/61/579702261.db2.gz ARWRPMFDXZJYPM-MRXNPFEDSA-N 1 2 327.428 1.360 20 30 EDEDLO Cc1ccc(NC(=O)NCCNc2ncccc2C#N)c(N(C)C)[nH+]1 ZINC000750423111 579763598 /nfs/dbraw/zinc/76/35/98/579763598.db2.gz DIQHSJMTKGYBSL-UHFFFAOYSA-N 1 2 339.403 1.956 20 30 EDEDLO C=CC[C@@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccncc1 ZINC000751092399 579794184 /nfs/dbraw/zinc/79/41/84/579794184.db2.gz LZATXRYFFAOFRV-OAHLLOKOSA-N 1 2 345.447 1.290 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(S(=O)(=O)CCCC#N)CC2)S1 ZINC000754424593 579903084 /nfs/dbraw/zinc/90/30/84/579903084.db2.gz IKQKEKAHPIREJC-UHFFFAOYSA-N 1 2 330.479 1.119 20 30 EDEDLO CCN(CCC#N)C(=O)COC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000754512725 579904952 /nfs/dbraw/zinc/90/49/52/579904952.db2.gz WZDFQIZUJKZHBW-MRXNPFEDSA-N 1 2 339.436 1.085 20 30 EDEDLO C=CC[NH+]1CCC(NC(=O)c2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000755874249 579937021 /nfs/dbraw/zinc/93/70/21/579937021.db2.gz OMPSGQIJQIMPJH-UHFFFAOYSA-N 1 2 340.420 1.609 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](OC2CCOCC2)c2ccccc2)CC1 ZINC000759101073 579998485 /nfs/dbraw/zinc/99/84/85/579998485.db2.gz GNOCFUMTJLTBGE-LJQANCHMSA-N 1 2 342.439 1.701 20 30 EDEDLO C=C[C@H](CC(=O)N1CC[NH+](CC[S@@](C)=O)CC1)c1ccccc1 ZINC000759152009 579999670 /nfs/dbraw/zinc/99/96/70/579999670.db2.gz AYQKTQOZEOFJKG-WAIKUNEKSA-N 1 2 334.485 1.869 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767479865 580190907 /nfs/dbraw/zinc/19/09/07/580190907.db2.gz RMFCFSXQQTYSPL-BMFZPTHFSA-N 1 2 330.384 1.732 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767479865 580190908 /nfs/dbraw/zinc/19/09/08/580190908.db2.gz RMFCFSXQQTYSPL-BMFZPTHFSA-N 1 2 330.384 1.732 20 30 EDEDLO C=CCn1c(SCC[NH+]2CCOCC2)nnc1-c1cnccn1 ZINC000768412138 580212335 /nfs/dbraw/zinc/21/23/35/580212335.db2.gz LZFKONHMIYXNMV-UHFFFAOYSA-N 1 2 332.433 1.345 20 30 EDEDLO C[C@@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccccc1C#N ZINC000772050289 580301867 /nfs/dbraw/zinc/30/18/67/580301867.db2.gz PUUFXBDWLOVZLJ-TZMCWYRMSA-N 1 2 347.440 1.866 20 30 EDEDLO C[C@@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccccc1C#N ZINC000772050289 580301868 /nfs/dbraw/zinc/30/18/68/580301868.db2.gz PUUFXBDWLOVZLJ-TZMCWYRMSA-N 1 2 347.440 1.866 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCC[N@H+](Cc2cscn2)CC1)[C@@H]1CCCO1 ZINC000773548656 580340601 /nfs/dbraw/zinc/34/06/01/580340601.db2.gz MILNLQGVYPKAKM-CVEARBPZSA-N 1 2 348.472 1.541 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)[C@@H]1CCCO1 ZINC000773548656 580340602 /nfs/dbraw/zinc/34/06/02/580340602.db2.gz MILNLQGVYPKAKM-CVEARBPZSA-N 1 2 348.472 1.541 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCO1 ZINC000773563830 580341566 /nfs/dbraw/zinc/34/15/66/580341566.db2.gz UXFASOIAQYBVEW-JKSUJKDBSA-N 1 2 333.457 1.756 20 30 EDEDLO CC(C)OCCCNC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773968773 580350629 /nfs/dbraw/zinc/35/06/29/580350629.db2.gz HLNHDSSVALXVQM-UONOGXRCSA-N 1 2 341.477 1.064 20 30 EDEDLO CC(C)OCCCNC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000773968773 580350630 /nfs/dbraw/zinc/35/06/30/580350630.db2.gz HLNHDSSVALXVQM-UONOGXRCSA-N 1 2 341.477 1.064 20 30 EDEDLO C#C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)[C@@H]1CCCO1 ZINC000775793472 580400840 /nfs/dbraw/zinc/40/08/40/580400840.db2.gz LDCAVNXQXDRJDA-CJNGLKHVSA-N 1 2 341.411 1.521 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CCCO1 ZINC000776129109 580408871 /nfs/dbraw/zinc/40/88/71/580408871.db2.gz IDJCGKWYVMGHHE-LSDHHAIUSA-N 1 2 325.372 1.247 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CCCO1 ZINC000776129106 580408899 /nfs/dbraw/zinc/40/88/99/580408899.db2.gz IDJCGKWYVMGHHE-CABCVRRESA-N 1 2 325.372 1.247 20 30 EDEDLO N#Cc1ccc(NC(=O)CON=C(N)C[NH+]2CCSCC2)cc1 ZINC000780127584 580514341 /nfs/dbraw/zinc/51/43/41/580514341.db2.gz HLHBTJKIADEQGN-UHFFFAOYSA-N 1 2 333.417 1.044 20 30 EDEDLO C[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[NH+]1CCCCC1 ZINC000780717308 580532103 /nfs/dbraw/zinc/53/21/03/580532103.db2.gz VNKROQRLAJBBOZ-NSHDSACASA-N 1 2 343.399 1.989 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781997237 580563049 /nfs/dbraw/zinc/56/30/49/580563049.db2.gz AXQPAMUNFPKIKJ-CQSZACIVSA-N 1 2 329.356 1.347 20 30 EDEDLO COc1cccc(/C=N\[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1O ZINC000782880010 580587501 /nfs/dbraw/zinc/58/75/01/580587501.db2.gz IWUWCHOMHZQDCY-GNKPEBMXSA-N 1 2 342.399 1.744 20 30 EDEDLO C=CCS(=O)(=O)CCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000782887375 580587726 /nfs/dbraw/zinc/58/77/26/580587726.db2.gz MYWIDFIWJPHFMZ-UHFFFAOYSA-N 1 2 343.412 1.828 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(CC(=O)NC3(C#N)CCC3)CC2)S1 ZINC000784340331 580618871 /nfs/dbraw/zinc/61/88/71/580618871.db2.gz PFQSPWGNPHXNMC-UHFFFAOYSA-N 1 2 335.477 1.048 20 30 EDEDLO N#C[C@H](C(=O)C[N@@H+](CCO)C1CCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000784390773 580620109 /nfs/dbraw/zinc/62/01/09/580620109.db2.gz CJEREDCQBKMHKJ-CQSZACIVSA-N 1 2 340.383 1.358 20 30 EDEDLO N#C[C@H](C(=O)C[N@H+](CCO)C1CCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000784390773 580620110 /nfs/dbraw/zinc/62/01/10/580620110.db2.gz CJEREDCQBKMHKJ-CQSZACIVSA-N 1 2 340.383 1.358 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC000785770601 580652706 /nfs/dbraw/zinc/65/27/06/580652706.db2.gz ZEQALLROVXZDNB-UHFFFAOYSA-N 1 2 347.484 1.539 20 30 EDEDLO N#Cc1cccc([C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CCO2)c1 ZINC000787172521 580688689 /nfs/dbraw/zinc/68/86/89/580688689.db2.gz WXXOMRGPYAUQDW-IRXDYDNUSA-N 1 2 336.395 1.917 20 30 EDEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000788472435 580722267 /nfs/dbraw/zinc/72/22/67/580722267.db2.gz CZJULMCHRDASOF-QGZVFWFLSA-N 1 2 339.399 1.665 20 30 EDEDLO CCN(C)c1ccc(C=[NH+]Nc2nc3c(cnn3C)c(=O)[nH]2)cn1 ZINC000790164181 580763746 /nfs/dbraw/zinc/76/37/46/580763746.db2.gz MOONTBMSTICKNO-UHFFFAOYSA-N 1 2 326.364 1.366 20 30 EDEDLO CC(N=Nc1nccn1C)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000790299531 580766414 /nfs/dbraw/zinc/76/64/14/580766414.db2.gz DSIVOWJBIDWRPV-UHFFFAOYSA-N 1 2 329.404 1.794 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)c(F)c1 ZINC000790850113 580779952 /nfs/dbraw/zinc/77/99/52/580779952.db2.gz DXYJFCCVXFQFAL-UHFFFAOYSA-N 1 2 346.343 1.381 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)OCCc1c[nH+]cn1C ZINC000793256120 580839797 /nfs/dbraw/zinc/83/97/97/580839797.db2.gz OIHPBPCEZZTFQE-UHFFFAOYSA-N 1 2 329.404 1.866 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cn3cnc(-c4ccccn4)n3)C2)nc1 ZINC000793592659 580848404 /nfs/dbraw/zinc/84/84/04/580848404.db2.gz SWFQUAJZFAAUCE-OAHLLOKOSA-N 1 2 347.382 1.718 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cn3cnc(-c4ccccn4)n3)C2)nc1 ZINC000793592659 580848405 /nfs/dbraw/zinc/84/84/05/580848405.db2.gz SWFQUAJZFAAUCE-OAHLLOKOSA-N 1 2 347.382 1.718 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C[C@H](C4CC4)CC3=O)C2)nc1 ZINC000793594370 580848621 /nfs/dbraw/zinc/84/86/21/580848621.db2.gz YQXKMEOXNKLVKB-HZPDHXFCSA-N 1 2 326.400 1.622 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C[C@H](C4CC4)CC3=O)C2)nc1 ZINC000793594370 580848622 /nfs/dbraw/zinc/84/86/22/580848622.db2.gz YQXKMEOXNKLVKB-HZPDHXFCSA-N 1 2 326.400 1.622 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)OCC#CCOC)[C@@H]1c1c[nH+]cn1C ZINC000796086708 580945133 /nfs/dbraw/zinc/94/51/33/580945133.db2.gz CWNIAQLANCTTRI-RHSMWYFYSA-N 1 2 347.415 1.303 20 30 EDEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCCOC1 ZINC000796196929 580948191 /nfs/dbraw/zinc/94/81/91/580948191.db2.gz IWEXPSYKBBBCDW-GXTWGEPZSA-N 1 2 340.383 1.622 20 30 EDEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCCOC1 ZINC000796196929 580948192 /nfs/dbraw/zinc/94/81/92/580948192.db2.gz IWEXPSYKBBBCDW-GXTWGEPZSA-N 1 2 340.383 1.622 20 30 EDEDLO C#Cc1cncc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)c1 ZINC000798162214 580989205 /nfs/dbraw/zinc/98/92/05/580989205.db2.gz SUZIXAWUHFROTB-AWEZNQCLSA-N 1 2 336.395 1.613 20 30 EDEDLO CC(=[NH+]NC(=S)NC[C@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799105694 581016893 /nfs/dbraw/zinc/01/68/93/581016893.db2.gz HCJFMLMGGDWGTK-LLVKDONJSA-N 1 2 337.405 1.544 20 30 EDEDLO CC(=[NH+]NCC(N)=O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000799885215 581038403 /nfs/dbraw/zinc/03/84/03/581038403.db2.gz CHZXFTNZXZXSAU-UHFFFAOYSA-N 1 2 337.177 1.090 20 30 EDEDLO C#CCOCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000799970808 581040198 /nfs/dbraw/zinc/04/01/98/581040198.db2.gz VIGGAGYWYUTBLK-OAHLLOKOSA-N 1 2 330.432 1.758 20 30 EDEDLO FCCC[C@H]1CCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000800806009 581058712 /nfs/dbraw/zinc/05/87/12/581058712.db2.gz LTUCUGMALBKYLA-CYBMUJFWSA-N 1 2 330.473 1.689 20 30 EDEDLO C[C@H](C#N)OCCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000801835370 581086090 /nfs/dbraw/zinc/08/60/90/581086090.db2.gz LGBFAYKAQWBIQB-RHSMWYFYSA-N 1 2 332.400 1.656 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)Nc2cc[nH+]cc2N(C)C)n1 ZINC000801924420 581088177 /nfs/dbraw/zinc/08/81/77/581088177.db2.gz OXCUDLPDBJURAQ-UHFFFAOYSA-N 1 2 326.404 1.453 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1nn2c(c1Br)CCC2 ZINC000890888277 590834448 /nfs/dbraw/zinc/83/44/48/590834448.db2.gz YZFKRVBCTIELIG-ZDUSSCGKSA-N 1 2 340.225 1.165 20 30 EDEDLO CON=Cc1ccc(C(=O)O[C@H]2C[N@H+](C)[C@](C)(C(=O)OC)C2)cc1 ZINC000893565256 590963946 /nfs/dbraw/zinc/96/39/46/590963946.db2.gz DUDBZFNCOVRPAD-PBHICJAKSA-N 1 2 334.372 1.460 20 30 EDEDLO CON=Cc1ccc(C(=O)O[C@H]2C[N@@H+](C)[C@](C)(C(=O)OC)C2)cc1 ZINC000893565256 590963947 /nfs/dbraw/zinc/96/39/47/590963947.db2.gz DUDBZFNCOVRPAD-PBHICJAKSA-N 1 2 334.372 1.460 20 30 EDEDLO O=C(NCC#C[C@@H]1CCCCO1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000891125553 590970188 /nfs/dbraw/zinc/97/01/88/590970188.db2.gz BIWDKLYWXNYQIE-IBGZPJMESA-N 1 2 342.439 1.821 20 30 EDEDLO Cn1nc2c(c1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CCC2 ZINC000893576343 590978630 /nfs/dbraw/zinc/97/86/30/590978630.db2.gz QFPTVSNFRXEWDG-DOMZBBRYSA-N 1 2 345.447 1.757 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cnn(CCF)c2)C1 ZINC000893576785 590979024 /nfs/dbraw/zinc/97/90/24/590979024.db2.gz VBYPPTVUZUZDAF-KGLIPLIRSA-N 1 2 337.399 1.701 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cnn(CCF)c2)C1 ZINC000893576787 590979030 /nfs/dbraw/zinc/97/90/30/590979030.db2.gz VBYPPTVUZUZDAF-ZIAGYGMSSA-N 1 2 337.399 1.701 20 30 EDEDLO COC(=O)[C@@H]1[C@@H](C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1(F)F ZINC000893902113 591130104 /nfs/dbraw/zinc/13/01/04/591130104.db2.gz IYLKGCDIMUDNLP-CVEARBPZSA-N 1 2 349.381 1.730 20 30 EDEDLO COC(=O)[C@@H]1[C@@H](C[NH+]2CCN(c3ccccc3C#N)CC2)C1(F)F ZINC000893920876 591139141 /nfs/dbraw/zinc/13/91/41/591139141.db2.gz DYMVEZQXWULJRK-HIFRSBDPSA-N 1 2 335.354 1.735 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H](C)Oc3ccccc32)C1 ZINC000891607810 591145922 /nfs/dbraw/zinc/14/59/22/591145922.db2.gz VXRMCJZDHCTOTQ-HUUCEWRRSA-N 1 2 341.411 1.014 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N2C[C@@H](C)Oc3ccccc32)C1 ZINC000891607810 591145924 /nfs/dbraw/zinc/14/59/24/591145924.db2.gz VXRMCJZDHCTOTQ-HUUCEWRRSA-N 1 2 341.411 1.014 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000891605811 591146981 /nfs/dbraw/zinc/14/69/81/591146981.db2.gz IUMXHULPGUUXRP-JTQLQIEISA-N 1 2 339.317 1.256 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000891605811 591146983 /nfs/dbraw/zinc/14/69/83/591146983.db2.gz IUMXHULPGUUXRP-JTQLQIEISA-N 1 2 339.317 1.256 20 30 EDEDLO C#CCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1F ZINC000894155057 591210584 /nfs/dbraw/zinc/21/05/84/591210584.db2.gz VZBKCPQMNHZZNJ-OAHLLOKOSA-N 1 2 348.353 1.737 20 30 EDEDLO C#CC1(O)CN(C(=O)NCc2ccc3c(c2)[nH+]c(CC)n3C2CC2)C1 ZINC000894669385 591381435 /nfs/dbraw/zinc/38/14/35/591381435.db2.gz ZQDGHKLXFGQBFA-UHFFFAOYSA-N 1 2 338.411 1.823 20 30 EDEDLO Cc1c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cnn1CCC#N ZINC000897583734 591568384 /nfs/dbraw/zinc/56/83/84/591568384.db2.gz QPYKQBLLYKRSFW-CQSZACIVSA-N 1 2 326.404 1.859 20 30 EDEDLO N#Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000896699030 591585659 /nfs/dbraw/zinc/58/56/59/591585659.db2.gz YISLVEIMMPIBCA-AWEZNQCLSA-N 1 2 338.411 1.976 20 30 EDEDLO Cn1nc(C(F)(F)F)c(C[NH2+][C@@H]2CCCN(O)C2=O)c1Cl ZINC000895163612 591629608 /nfs/dbraw/zinc/62/96/08/591629608.db2.gz WQFMWWDUVPKAEX-SSDOTTSWSA-N 1 2 326.706 1.562 20 30 EDEDLO CC[C@H](CO)Nc1cc(N2CCC3(CC2)CC(=O)C=CO3)nc[nH+]1 ZINC000896881768 591645989 /nfs/dbraw/zinc/64/59/89/591645989.db2.gz DVGWYJIVVHGLJR-CYBMUJFWSA-N 1 2 332.404 1.502 20 30 EDEDLO CC[C@H](CO)Nc1cc(N2CCC3(CC2)CC(=O)C=CO3)[nH+]cn1 ZINC000896881768 591645991 /nfs/dbraw/zinc/64/59/91/591645991.db2.gz DVGWYJIVVHGLJR-CYBMUJFWSA-N 1 2 332.404 1.502 20 30 EDEDLO N#Cc1c2ccccc2[nH]c1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899066361 591659902 /nfs/dbraw/zinc/65/99/02/591659902.db2.gz PCNPAAGAXKLLBZ-UHFFFAOYSA-N 1 2 340.383 1.218 20 30 EDEDLO N#Cc1c2ccccc2[nH]c1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899066361 591659904 /nfs/dbraw/zinc/65/99/04/591659904.db2.gz PCNPAAGAXKLLBZ-UHFFFAOYSA-N 1 2 340.383 1.218 20 30 EDEDLO COC(=O)[C@H]1[C@@H](C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1(F)F ZINC000895374587 591734779 /nfs/dbraw/zinc/73/47/79/591734779.db2.gz RYGJVWXZCPVZPV-ZIAGYGMSSA-N 1 2 336.342 1.130 20 30 EDEDLO COC(=O)[C@@H]1[C@H](C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1(F)F ZINC000895374584 591734929 /nfs/dbraw/zinc/73/49/29/591734929.db2.gz RYGJVWXZCPVZPV-KBPBESRZSA-N 1 2 336.342 1.130 20 30 EDEDLO Cc1c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cnn1CCC#N ZINC000895527866 591789054 /nfs/dbraw/zinc/78/90/54/591789054.db2.gz QDRPMRJACXOHGS-UHFFFAOYSA-N 1 2 338.415 1.458 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cn1 ZINC000728806714 591830501 /nfs/dbraw/zinc/83/05/01/591830501.db2.gz AZWPSOLGSKEHAL-IBGZPJMESA-N 1 2 335.407 1.866 20 30 EDEDLO COCC[C@@H]1CCN(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000902280235 591961037 /nfs/dbraw/zinc/96/10/37/591961037.db2.gz YWBUZOPJWZNVND-JKSUJKDBSA-N 1 2 344.415 1.249 20 30 EDEDLO COCC[C@@H]1CCN(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000902280235 591961039 /nfs/dbraw/zinc/96/10/39/591961039.db2.gz YWBUZOPJWZNVND-JKSUJKDBSA-N 1 2 344.415 1.249 20 30 EDEDLO CCOC(=O)[C@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000902421065 591992193 /nfs/dbraw/zinc/99/21/93/591992193.db2.gz MXYPMZFALYOZQJ-AWEZNQCLSA-N 1 2 329.400 1.441 20 30 EDEDLO CCOC(=O)[C@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000902421065 591992194 /nfs/dbraw/zinc/99/21/94/591992194.db2.gz MXYPMZFALYOZQJ-AWEZNQCLSA-N 1 2 329.400 1.441 20 30 EDEDLO C#CCCCc1nnc(N2CC[C@@H]([N@H+](C)Cc3noc(C)n3)C2)n1C ZINC000908530894 592526297 /nfs/dbraw/zinc/52/62/97/592526297.db2.gz FCUYLYWSJKTOIK-CQSZACIVSA-N 1 2 343.435 1.173 20 30 EDEDLO C#CCCCc1nnc(N2CC[C@@H]([N@@H+](C)Cc3noc(C)n3)C2)n1C ZINC000908530894 592526298 /nfs/dbraw/zinc/52/62/98/592526298.db2.gz FCUYLYWSJKTOIK-CQSZACIVSA-N 1 2 343.435 1.173 20 30 EDEDLO C[C@H]1CC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCO1 ZINC000905736756 592633224 /nfs/dbraw/zinc/63/32/24/592633224.db2.gz DKFLCDNCNSDBLS-AWEZNQCLSA-N 1 2 342.399 1.391 20 30 EDEDLO C[C@H]1CC[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCO1 ZINC000905736756 592633229 /nfs/dbraw/zinc/63/32/29/592633229.db2.gz DKFLCDNCNSDBLS-AWEZNQCLSA-N 1 2 342.399 1.391 20 30 EDEDLO N#Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2n2cc[nH+]c2)ccc1F ZINC000907797471 592799430 /nfs/dbraw/zinc/79/94/30/592799430.db2.gz BJAARAQISPTKKA-CABCVRRESA-N 1 2 334.376 1.966 20 30 EDEDLO C#Cc1cccc(NC(=O)C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000734507280 592964442 /nfs/dbraw/zinc/96/44/42/592964442.db2.gz SBJNKMRZLGWHCI-SFHVURJKSA-N 1 2 332.363 1.294 20 30 EDEDLO C#CCN(C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)C1CSC1 ZINC000912361972 593090146 /nfs/dbraw/zinc/09/01/46/593090146.db2.gz MJPZRSLNRFTQOJ-QGZVFWFLSA-N 1 2 330.453 1.847 20 30 EDEDLO C#CCN(C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C1CSC1 ZINC000912361972 593090147 /nfs/dbraw/zinc/09/01/47/593090147.db2.gz MJPZRSLNRFTQOJ-QGZVFWFLSA-N 1 2 330.453 1.847 20 30 EDEDLO C=CC[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccncc1 ZINC000838479030 593177705 /nfs/dbraw/zinc/17/77/05/593177705.db2.gz YCNUXSHZYLYZAH-BBWFWOEESA-N 1 2 330.432 1.861 20 30 EDEDLO C=CC[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccncc1 ZINC000838479030 593177706 /nfs/dbraw/zinc/17/77/06/593177706.db2.gz YCNUXSHZYLYZAH-BBWFWOEESA-N 1 2 330.432 1.861 20 30 EDEDLO C=CCn1nnn(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1=S ZINC000840108239 593188297 /nfs/dbraw/zinc/18/82/97/593188297.db2.gz IOQOEHRKASLOTC-QWHCGFSZSA-N 1 2 344.444 1.234 20 30 EDEDLO C=CCn1nnn(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1=S ZINC000840108239 593188299 /nfs/dbraw/zinc/18/82/99/593188299.db2.gz IOQOEHRKASLOTC-QWHCGFSZSA-N 1 2 344.444 1.234 20 30 EDEDLO C=CCONC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000838708564 593206175 /nfs/dbraw/zinc/20/61/75/593206175.db2.gz ZJCIZUKGTYCWBL-UHFFFAOYSA-N 1 2 338.452 1.128 20 30 EDEDLO C=CCN1CCN(C[N@@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)C1=O ZINC000839961173 593240968 /nfs/dbraw/zinc/24/09/68/593240968.db2.gz SMPKCEVGAQUEIR-UHFFFAOYSA-N 1 2 342.443 1.892 20 30 EDEDLO C=CCN1CCN(C[N@H+](C)Cc2ccc(C(=O)NC3CC3)cc2)C1=O ZINC000839961173 593240970 /nfs/dbraw/zinc/24/09/70/593240970.db2.gz SMPKCEVGAQUEIR-UHFFFAOYSA-N 1 2 342.443 1.892 20 30 EDEDLO C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(F)c1 ZINC000802548461 593262453 /nfs/dbraw/zinc/26/24/53/593262453.db2.gz RDVGBSQBAXVBPT-JTQLQIEISA-N 1 2 332.310 1.286 20 30 EDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000839501078 593311925 /nfs/dbraw/zinc/31/19/25/593311925.db2.gz UHPQCLYWUUMSLL-CVEARBPZSA-N 1 2 326.396 1.242 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)COc1cccc(C#N)c1 ZINC000803512744 593338741 /nfs/dbraw/zinc/33/87/41/593338741.db2.gz UEMSEIOCVGJEDS-GDBMZVCRSA-N 1 2 329.400 1.259 20 30 EDEDLO S=C(NC[C@H]1CCCO1)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758368190 593402075 /nfs/dbraw/zinc/40/20/75/593402075.db2.gz VFISDOHGWZCKCW-CQSZACIVSA-N 1 2 333.461 1.659 20 30 EDEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000804443582 593415863 /nfs/dbraw/zinc/41/58/63/593415863.db2.gz HBNSILXBFHXKNU-UHFFFAOYSA-N 1 2 348.881 1.589 20 30 EDEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H]1COC(=O)c1cccc(C#N)n1 ZINC000810603611 593415900 /nfs/dbraw/zinc/41/59/00/593415900.db2.gz AOUTXHLFLHTDAY-AWEZNQCLSA-N 1 2 345.399 1.916 20 30 EDEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H]1COC(=O)c1cccc(C#N)n1 ZINC000810603611 593415903 /nfs/dbraw/zinc/41/59/03/593415903.db2.gz AOUTXHLFLHTDAY-AWEZNQCLSA-N 1 2 345.399 1.916 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)COC[C@@H]3CCCO3)CCO2)c1 ZINC000761763459 593421670 /nfs/dbraw/zinc/42/16/70/593421670.db2.gz RPTKGLLCIDTGHM-QYZOEREBSA-N 1 2 346.427 1.488 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)COC[C@@H]3CCCO3)CCO2)c1 ZINC000761763459 593421672 /nfs/dbraw/zinc/42/16/72/593421672.db2.gz RPTKGLLCIDTGHM-QYZOEREBSA-N 1 2 346.427 1.488 20 30 EDEDLO N#Cc1cccn(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1=O ZINC000811785266 593482153 /nfs/dbraw/zinc/48/21/53/593482153.db2.gz XVOOQIYNFSYADW-NSHDSACASA-N 1 2 342.321 1.068 20 30 EDEDLO N#Cc1cccn(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1=O ZINC000811785266 593482154 /nfs/dbraw/zinc/48/21/54/593482154.db2.gz XVOOQIYNFSYADW-NSHDSACASA-N 1 2 342.321 1.068 20 30 EDEDLO CC(=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(N)[nH+]c1 ZINC000814690598 593600818 /nfs/dbraw/zinc/60/08/18/593600818.db2.gz RJMKURIDONYLKW-UHFFFAOYSA-N 1 2 349.372 1.583 20 30 EDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000814828182 593604179 /nfs/dbraw/zinc/60/41/79/593604179.db2.gz QZVIXSKJBWOGAV-UHFFFAOYSA-N 1 2 348.432 1.197 20 30 EDEDLO C#Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000817843737 593640460 /nfs/dbraw/zinc/64/04/60/593640460.db2.gz GZIMDZFAOVZKDU-INIZCTEOSA-N 1 2 336.395 1.761 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=S)NCC[NH+]1CCOCC1 ZINC000819029203 593734635 /nfs/dbraw/zinc/73/46/35/593734635.db2.gz YUPXLHBSECIABE-CQSZACIVSA-N 1 2 332.473 1.758 20 30 EDEDLO C#C[C@@H](C)NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000820436328 593819014 /nfs/dbraw/zinc/81/90/14/593819014.db2.gz VMQUFJDSRRPQOO-IAGOWNOFSA-N 1 2 329.444 1.941 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000820641017 593851170 /nfs/dbraw/zinc/85/11/70/593851170.db2.gz YSTGNITVKIFGOK-AWEZNQCLSA-N 1 2 337.445 1.710 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000821331221 594019338 /nfs/dbraw/zinc/01/93/38/594019338.db2.gz KUQNRLAZZIMOPS-OAHLLOKOSA-N 1 2 347.390 1.776 20 30 EDEDLO N#CC1CC[NH+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000822806775 594103537 /nfs/dbraw/zinc/10/35/37/594103537.db2.gz TVPJMGOQGYOUSQ-UHFFFAOYSA-N 1 2 336.359 1.652 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000823305298 594183070 /nfs/dbraw/zinc/18/30/70/594183070.db2.gz IPNQSRQKONRVMD-UHFFFAOYSA-N 1 2 334.807 1.239 20 30 EDEDLO Cc1c(C#N)c(N2CC[NH+](CC[S@](C)=O)CC2)nc2ccccc12 ZINC000827667293 594254528 /nfs/dbraw/zinc/25/45/28/594254528.db2.gz ACWGTASGOOTUES-DEOSSOPVSA-N 1 2 342.468 1.915 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000829983271 594306944 /nfs/dbraw/zinc/30/69/44/594306944.db2.gz PAPLTZCLUBVMMN-GOSISDBHSA-N 1 2 328.416 1.576 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000829983271 594306945 /nfs/dbraw/zinc/30/69/45/594306945.db2.gz PAPLTZCLUBVMMN-GOSISDBHSA-N 1 2 328.416 1.576 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@@H]2CCCCC2(F)F)CC1 ZINC000830195203 594352831 /nfs/dbraw/zinc/35/28/31/594352831.db2.gz QPTXKEGMVHEQCK-AWEZNQCLSA-N 1 2 334.432 1.783 20 30 EDEDLO C#CC1CC[NH+](CC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000830305795 594372191 /nfs/dbraw/zinc/37/21/91/594372191.db2.gz VMLHWMGMWIHFCT-INIZCTEOSA-N 1 2 340.489 1.147 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3O)n2CC=C)CC1 ZINC000828417949 594414505 /nfs/dbraw/zinc/41/45/05/594414505.db2.gz NIUIIMAPXAJJGO-UHFFFAOYSA-N 1 2 337.427 1.516 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830886974 594505827 /nfs/dbraw/zinc/50/58/27/594505827.db2.gz XTBBOECLTKECQP-GXTWGEPZSA-N 1 2 338.791 1.598 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830886974 594505829 /nfs/dbraw/zinc/50/58/29/594505829.db2.gz XTBBOECLTKECQP-GXTWGEPZSA-N 1 2 338.791 1.598 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+]2CC)c1 ZINC000829450110 594615604 /nfs/dbraw/zinc/61/56/04/594615604.db2.gz MPHOLNJPRCXQBC-OAHLLOKOSA-N 1 2 334.441 1.308 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+]2CC)c1 ZINC000829450110 594615605 /nfs/dbraw/zinc/61/56/05/594615605.db2.gz MPHOLNJPRCXQBC-OAHLLOKOSA-N 1 2 334.441 1.308 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCc2ccccc2N2CCOCC2)CC1 ZINC000827519008 594678268 /nfs/dbraw/zinc/67/82/68/594678268.db2.gz HMIVXDVEBXTKGU-UHFFFAOYSA-N 1 2 341.455 1.233 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836424409 594962177 /nfs/dbraw/zinc/96/21/77/594962177.db2.gz BDLXEBIFDQAYRF-GASCZTMLSA-N 1 2 347.390 1.822 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836424409 594962179 /nfs/dbraw/zinc/96/21/79/594962179.db2.gz BDLXEBIFDQAYRF-GASCZTMLSA-N 1 2 347.390 1.822 20 30 EDEDLO C#C[C@@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000867282906 594996276 /nfs/dbraw/zinc/99/62/76/594996276.db2.gz WQXMUVPGVHPSOX-LSDHHAIUSA-N 1 2 342.848 1.264 20 30 EDEDLO C#C[C@@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000867282906 594996278 /nfs/dbraw/zinc/99/62/78/594996278.db2.gz WQXMUVPGVHPSOX-LSDHHAIUSA-N 1 2 342.848 1.264 20 30 EDEDLO CN(C[C@@H](O)c1cccc(C#N)c1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000845608542 595031713 /nfs/dbraw/zinc/03/17/13/595031713.db2.gz LLRMPUQZSLMLGB-MRXNPFEDSA-N 1 2 339.399 1.355 20 30 EDEDLO CN(C[C@@H](O)c1cccc(C#N)c1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000845608542 595031716 /nfs/dbraw/zinc/03/17/16/595031716.db2.gz LLRMPUQZSLMLGB-MRXNPFEDSA-N 1 2 339.399 1.355 20 30 EDEDLO C[C@H](O)CNc1cc(N(C)C[C@H](O)c2cccc(C#N)c2)nc[nH+]1 ZINC000845608430 595031808 /nfs/dbraw/zinc/03/18/08/595031808.db2.gz LAPCWOFHAGPDPA-WFASDCNBSA-N 1 2 327.388 1.311 20 30 EDEDLO C[C@H](O)CNc1cc(N(C)C[C@H](O)c2cccc(C#N)c2)[nH+]cn1 ZINC000845608430 595031812 /nfs/dbraw/zinc/03/18/12/595031812.db2.gz LAPCWOFHAGPDPA-WFASDCNBSA-N 1 2 327.388 1.311 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccsc2C#N)C1 ZINC000845921639 595096789 /nfs/dbraw/zinc/09/67/89/595096789.db2.gz QCSYSWNDRVUPQD-NSHDSACASA-N 1 2 336.442 1.922 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc2[nH]c1=S ZINC000843502964 595133692 /nfs/dbraw/zinc/13/36/92/595133692.db2.gz HMNGZPAYNBOXRD-QWRGUYRKSA-N 1 2 346.456 1.727 20 30 EDEDLO C[C@H](O[NH+]=C(N)COC[C@H]1CCCO1)C(=O)Nc1cccc(C#N)c1 ZINC000842657085 595160939 /nfs/dbraw/zinc/16/09/39/595160939.db2.gz VYIUBJILRJSFPU-SWLSCSKDSA-N 1 2 346.387 1.579 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2c(Cl)cccc2OCC)CC1 ZINC000846797085 595317526 /nfs/dbraw/zinc/31/75/26/595317526.db2.gz PGOZNLHVJUPCKL-UHFFFAOYSA-N 1 2 349.862 1.606 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000847024746 595352485 /nfs/dbraw/zinc/35/24/85/595352485.db2.gz SEPMPPIWEHNRRE-KRWDZBQOSA-N 1 2 326.444 1.466 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000847024746 595352487 /nfs/dbraw/zinc/35/24/87/595352487.db2.gz SEPMPPIWEHNRRE-KRWDZBQOSA-N 1 2 326.444 1.466 20 30 EDEDLO CN(C)c1cc(F)c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000844526234 595354627 /nfs/dbraw/zinc/35/46/27/595354627.db2.gz CUEIWDKLTCEJCP-OAHLLOKOSA-N 1 2 337.355 1.374 20 30 EDEDLO Cn1cnnc1N1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000847036747 595354685 /nfs/dbraw/zinc/35/46/85/595354685.db2.gz CIYCXHBDGIPHNF-UHFFFAOYSA-N 1 2 346.822 1.693 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CN3C(=O)CC34CCCC4)CC2)n1 ZINC000844701108 595377755 /nfs/dbraw/zinc/37/77/55/595377755.db2.gz FHCOFOINJYLJEU-UHFFFAOYSA-N 1 2 325.416 1.578 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000847279821 595386687 /nfs/dbraw/zinc/38/66/87/595386687.db2.gz IYYACAUTCJLGLS-HNNXBMFYSA-N 1 2 328.416 1.473 20 30 EDEDLO C=C(C)CONC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000845589404 595522557 /nfs/dbraw/zinc/52/25/57/595522557.db2.gz CZBXGXNRRUHHDB-UHFFFAOYSA-N 1 2 329.404 1.669 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)NCC2(C#N)CCCCC2)c(N(C)C)[nH+]1 ZINC000850674642 595587014 /nfs/dbraw/zinc/58/70/14/595587014.db2.gz ZSPHRNZYPMMQFY-UHFFFAOYSA-N 1 2 343.431 1.985 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1cccc(C#N)c1)C(C)(C)CO ZINC000855115626 595601981 /nfs/dbraw/zinc/60/19/81/595601981.db2.gz XRWOJWTTWWERRM-INIZCTEOSA-N 1 2 342.399 1.547 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000855300682 595666486 /nfs/dbraw/zinc/66/64/86/595666486.db2.gz ZBQCIYAGZXFEFY-HNAYVOBHSA-N 1 2 335.411 1.924 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC(C(=O)NCCO)CC1 ZINC000853231853 595714009 /nfs/dbraw/zinc/71/40/09/595714009.db2.gz VRGFRMRIQUZRCI-UHFFFAOYSA-N 1 2 331.416 1.199 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cnc3c(F)cccc3c2)CC1 ZINC000853759142 595873029 /nfs/dbraw/zinc/87/30/29/595873029.db2.gz SFNSHDZHVFVEKR-UHFFFAOYSA-N 1 2 327.359 1.530 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cc(C#N)ccc2F)[C@H](C)CO1 ZINC000853796055 595883257 /nfs/dbraw/zinc/88/32/57/595883257.db2.gz ZLJGDSRMJQRQJN-CHWSQXEVSA-N 1 2 334.395 1.606 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cc(C#N)ccc2F)[C@H](C)CO1 ZINC000853796055 595883258 /nfs/dbraw/zinc/88/32/58/595883258.db2.gz ZLJGDSRMJQRQJN-CHWSQXEVSA-N 1 2 334.395 1.606 20 30 EDEDLO C#CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000851715392 595894898 /nfs/dbraw/zinc/89/48/98/595894898.db2.gz SLMNMUGVZPVFAA-UHFFFAOYSA-N 1 2 342.848 1.296 20 30 EDEDLO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@@H+](CC(=O)NCC#N)C1 ZINC000854061693 595965892 /nfs/dbraw/zinc/96/58/92/595965892.db2.gz GQTNTTLQTQUAMV-UHFFFAOYSA-N 1 2 337.427 1.896 20 30 EDEDLO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@H+](CC(=O)NCC#N)C1 ZINC000854061693 595965894 /nfs/dbraw/zinc/96/58/94/595965894.db2.gz GQTNTTLQTQUAMV-UHFFFAOYSA-N 1 2 337.427 1.896 20 30 EDEDLO C#CCCN(CCOC)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000856387748 595972024 /nfs/dbraw/zinc/97/20/24/595972024.db2.gz UCRPNYPJQKGLOE-UHFFFAOYSA-N 1 2 330.428 1.631 20 30 EDEDLO C=C(C)CONC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000854219790 596005521 /nfs/dbraw/zinc/00/55/21/596005521.db2.gz SVJQWWXTHMYBPZ-SFHVURJKSA-N 1 2 349.431 1.057 20 30 EDEDLO C=C(C)CONC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000854219790 596005522 /nfs/dbraw/zinc/00/55/22/596005522.db2.gz SVJQWWXTHMYBPZ-SFHVURJKSA-N 1 2 349.431 1.057 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852314879 596122632 /nfs/dbraw/zinc/12/26/32/596122632.db2.gz VQZKTYGSUUWSAP-GOEBONIOSA-N 1 2 325.372 1.386 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852314879 596122633 /nfs/dbraw/zinc/12/26/33/596122633.db2.gz VQZKTYGSUUWSAP-GOEBONIOSA-N 1 2 325.372 1.386 20 30 EDEDLO CON=Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000854731130 596179003 /nfs/dbraw/zinc/17/90/03/596179003.db2.gz XKTFJPPKMHOEFQ-QGZVFWFLSA-N 1 2 331.416 1.604 20 30 EDEDLO CC[N@H+](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C)C#N ZINC000852647298 596218441 /nfs/dbraw/zinc/21/84/41/596218441.db2.gz ZOVWWAXYQARAOJ-AWEZNQCLSA-N 1 2 338.452 1.690 20 30 EDEDLO CC[N@@H+](CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C)C#N ZINC000852647298 596218443 /nfs/dbraw/zinc/21/84/43/596218443.db2.gz ZOVWWAXYQARAOJ-AWEZNQCLSA-N 1 2 338.452 1.690 20 30 EDEDLO N#Cc1cc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)co1 ZINC000864617732 596285718 /nfs/dbraw/zinc/28/57/18/596285718.db2.gz UEQBBEKQIQFWNU-KRWDZBQOSA-N 1 2 325.368 1.955 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC2(C1)OCCO2 ZINC000118978489 596350706 /nfs/dbraw/zinc/35/07/06/596350706.db2.gz HPQRIRUIRFUYKF-AWEZNQCLSA-N 1 2 347.390 1.910 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC2(C1)OCCO2 ZINC000118978489 596350710 /nfs/dbraw/zinc/35/07/10/596350710.db2.gz HPQRIRUIRFUYKF-AWEZNQCLSA-N 1 2 347.390 1.910 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2c(C)nn(CC(F)(F)F)c2C)CC1 ZINC000120285100 596417502 /nfs/dbraw/zinc/41/75/02/596417502.db2.gz KYCGOSPWPDJQBQ-UHFFFAOYSA-N 1 2 342.365 1.382 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867712628 596510134 /nfs/dbraw/zinc/51/01/34/596510134.db2.gz FOTRXBUJFVRDTJ-AWEZNQCLSA-N 1 2 343.399 1.718 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867712628 596510135 /nfs/dbraw/zinc/51/01/35/596510135.db2.gz FOTRXBUJFVRDTJ-AWEZNQCLSA-N 1 2 343.399 1.718 20 30 EDEDLO C#Cc1cncc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1 ZINC000863497671 596599992 /nfs/dbraw/zinc/59/99/92/596599992.db2.gz ZNFNHGDMFJICHA-SFHVURJKSA-N 1 2 336.395 1.089 20 30 EDEDLO C#Cc1cncc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1 ZINC000863497671 596599993 /nfs/dbraw/zinc/59/99/93/596599993.db2.gz ZNFNHGDMFJICHA-SFHVURJKSA-N 1 2 336.395 1.089 20 30 EDEDLO N#C[C@@H]1CN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CCN1C1CC1 ZINC000865735968 596663782 /nfs/dbraw/zinc/66/37/82/596663782.db2.gz CDPXDRCFZQILKU-OAHLLOKOSA-N 1 2 327.363 1.215 20 30 EDEDLO C#CC[C@H](COC)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000863806728 596691595 /nfs/dbraw/zinc/69/15/95/596691595.db2.gz PWTWMJJTARPCFG-CYBMUJFWSA-N 1 2 328.328 1.549 20 30 EDEDLO N#Cc1cc(C(F)(F)F)cc(N[C@H](CO)C[NH+]2CCOCC2)n1 ZINC000865885400 596709771 /nfs/dbraw/zinc/70/97/71/596709771.db2.gz JRKFEWLZWFGAQM-LBPRGKRZSA-N 1 2 330.310 1.077 20 30 EDEDLO Cc1ccc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000870060666 596729498 /nfs/dbraw/zinc/72/94/98/596729498.db2.gz KVCVUZGRVSTSLS-KRWDZBQOSA-N 1 2 329.400 1.040 20 30 EDEDLO N#Cc1cc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)ccc1Cl ZINC000870062381 596730217 /nfs/dbraw/zinc/73/02/17/596730217.db2.gz ABGLOBBFDMGHLK-HNNXBMFYSA-N 1 2 349.818 1.385 20 30 EDEDLO N#Cc1ccc(OCc2nnc(NCC[NH+]3CCOCC3)o2)cc1 ZINC000863980967 596739114 /nfs/dbraw/zinc/73/91/14/596739114.db2.gz UTHIEYKBDWBYAZ-UHFFFAOYSA-N 1 2 329.360 1.264 20 30 EDEDLO N#Cc1sc(N2CC[NH+](CCc3cnccn3)CC2)nc1Cl ZINC000866119948 596795252 /nfs/dbraw/zinc/79/52/52/596795252.db2.gz NRSKCAZBJQEBNC-UHFFFAOYSA-N 1 2 334.836 1.823 20 30 EDEDLO Oc1cccc(/C=N\C[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1O ZINC000864346171 596862262 /nfs/dbraw/zinc/86/22/62/596862262.db2.gz PSXKXYZCGHVFKO-OBLBUWMUSA-N 1 2 327.384 1.813 20 30 EDEDLO Oc1cccc(/C=N\C[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1O ZINC000864346171 596862263 /nfs/dbraw/zinc/86/22/63/596862263.db2.gz PSXKXYZCGHVFKO-OBLBUWMUSA-N 1 2 327.384 1.813 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000874348639 597026969 /nfs/dbraw/zinc/02/69/69/597026969.db2.gz YAIVTLFYQQOFTC-HNNXBMFYSA-N 1 2 344.415 1.032 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000874348639 597026971 /nfs/dbraw/zinc/02/69/71/597026971.db2.gz YAIVTLFYQQOFTC-HNNXBMFYSA-N 1 2 344.415 1.032 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C[C@@]4(CCOC4)CC3=O)CC2)cc1 ZINC000872728464 597048670 /nfs/dbraw/zinc/04/86/70/597048670.db2.gz MOUBMUVWXKXFGC-LJQANCHMSA-N 1 2 340.427 1.277 20 30 EDEDLO Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(C)C[C@H](C)C#N)C2)c1 ZINC000876192442 597126567 /nfs/dbraw/zinc/12/65/67/597126567.db2.gz AIYYQVRJINBWNW-AEFFLSMTSA-N 1 2 344.459 1.997 20 30 EDEDLO Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N(C)C[C@H](C)C#N)C2)c1 ZINC000876192442 597126570 /nfs/dbraw/zinc/12/65/70/597126570.db2.gz AIYYQVRJINBWNW-AEFFLSMTSA-N 1 2 344.459 1.997 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)NCC[N@H+]1C[C@H]3CC[C@@H](C1)O3)C2 ZINC000876282669 597160805 /nfs/dbraw/zinc/16/08/05/597160805.db2.gz WPOCRQPAROEAPK-KURKYZTESA-N 1 2 340.427 1.188 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)NCC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)C2 ZINC000876282669 597160808 /nfs/dbraw/zinc/16/08/08/597160808.db2.gz WPOCRQPAROEAPK-KURKYZTESA-N 1 2 340.427 1.188 20 30 EDEDLO COC(=O)[C@H](Cc1cncs1)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000877800558 597558943 /nfs/dbraw/zinc/55/89/43/597558943.db2.gz GGICIIYZOOPDIY-AWEZNQCLSA-N 1 2 341.396 1.536 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc(OCC#N)c1 ZINC000878281186 597592307 /nfs/dbraw/zinc/59/23/07/597592307.db2.gz FKHICWKDBSDYMD-OAHLLOKOSA-N 1 2 332.404 1.821 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(OCC#N)c1 ZINC000878281186 597592308 /nfs/dbraw/zinc/59/23/08/597592308.db2.gz FKHICWKDBSDYMD-OAHLLOKOSA-N 1 2 332.404 1.821 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCN2C(=O)OCC[C@H]2C1)c1ccccc1 ZINC000878325915 597595637 /nfs/dbraw/zinc/59/56/37/597595637.db2.gz NQVZKFYGTAPEJB-PKOBYXMFSA-N 1 2 341.411 1.954 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCN2C(=O)OCC[C@H]2C1)c1ccccc1 ZINC000878325915 597595638 /nfs/dbraw/zinc/59/56/38/597595638.db2.gz NQVZKFYGTAPEJB-PKOBYXMFSA-N 1 2 341.411 1.954 20 30 EDEDLO C=C(C)C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(=O)OCC ZINC000881753795 597707574 /nfs/dbraw/zinc/70/75/74/597707574.db2.gz YXOVQWHLZCACTM-OAHLLOKOSA-N 1 2 328.372 1.895 20 30 EDEDLO CC[C@@]1(O)CCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000879309793 597882702 /nfs/dbraw/zinc/88/27/02/597882702.db2.gz BJMMICDFSHRKKK-GOSISDBHSA-N 1 2 326.400 1.657 20 30 EDEDLO CC[C@@]1(O)CCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000879309793 597882704 /nfs/dbraw/zinc/88/27/04/597882704.db2.gz BJMMICDFSHRKKK-GOSISDBHSA-N 1 2 326.400 1.657 20 30 EDEDLO COc1ccc(C[N@H+](CCO)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000880571315 597967262 /nfs/dbraw/zinc/96/72/62/597967262.db2.gz SBGKCKXRPGNEFN-UHFFFAOYSA-N 1 2 339.395 2.000 20 30 EDEDLO COc1ccc(C[N@@H+](CCO)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000880571315 597967263 /nfs/dbraw/zinc/96/72/63/597967263.db2.gz SBGKCKXRPGNEFN-UHFFFAOYSA-N 1 2 339.395 2.000 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]([S@](=O)CC)C2)C1 ZINC000884191617 598021462 /nfs/dbraw/zinc/02/14/62/598021462.db2.gz IUDOICGEHHVXAW-DDXWWSGPSA-N 1 2 339.505 1.463 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]([S@](=O)CC)C2)C1 ZINC000884191617 598021465 /nfs/dbraw/zinc/02/14/65/598021465.db2.gz IUDOICGEHHVXAW-DDXWWSGPSA-N 1 2 339.505 1.463 20 30 EDEDLO C#CCC1(O)CCN(c2nc(NCC)[nH+]c(NC(C)(C)C)n2)CC1 ZINC000882969581 598121211 /nfs/dbraw/zinc/12/12/11/598121211.db2.gz ZDEGDDPDCITYFR-UHFFFAOYSA-N 1 2 332.452 1.290 20 30 EDEDLO C=C[C@H](CC)CC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060464316 695248633 /nfs/dbraw/zinc/24/86/33/695248633.db2.gz UQDQSPWWMXGSEF-HUUCEWRRSA-N 1 2 332.448 1.909 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C1 ZINC000914295532 695336392 /nfs/dbraw/zinc/33/63/92/695336392.db2.gz YNBVLLXMQXVJIO-LBPRGKRZSA-N 1 2 336.442 1.673 20 30 EDEDLO C[C@@H](CC#N)[N@H+](C)C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1 ZINC000929830148 695552527 /nfs/dbraw/zinc/55/25/27/695552527.db2.gz APLCEXNWMJSGRU-STQMWFEESA-N 1 2 337.420 1.773 20 30 EDEDLO C[C@@H](CC#N)[N@@H+](C)C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1 ZINC000929830148 695552530 /nfs/dbraw/zinc/55/25/30/695552530.db2.gz APLCEXNWMJSGRU-STQMWFEESA-N 1 2 337.420 1.773 20 30 EDEDLO C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC000993048456 695555607 /nfs/dbraw/zinc/55/56/07/695555607.db2.gz OHCPINBBJWJAAN-BEFAXECRSA-N 1 2 340.427 1.063 20 30 EDEDLO C[C@@]12CN(C(=O)C#CC3CC3)C[C@@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC000993048456 695555608 /nfs/dbraw/zinc/55/56/08/695555608.db2.gz OHCPINBBJWJAAN-BEFAXECRSA-N 1 2 340.427 1.063 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993292241 695912383 /nfs/dbraw/zinc/91/23/83/695912383.db2.gz DBBXFEYFDYURHY-CJNGLKHVSA-N 1 2 338.415 1.470 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993292241 695912385 /nfs/dbraw/zinc/91/23/85/695912385.db2.gz DBBXFEYFDYURHY-CJNGLKHVSA-N 1 2 338.415 1.470 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000993374219 696022452 /nfs/dbraw/zinc/02/24/52/696022452.db2.gz IKVOEITVHQAELV-CCKFTAQKSA-N 1 2 344.459 1.861 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H]1C ZINC000993446567 696157922 /nfs/dbraw/zinc/15/79/22/696157922.db2.gz NLMLYCPFGLVYTF-GXTWGEPZSA-N 1 2 337.855 1.877 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H]1C ZINC000993446567 696157923 /nfs/dbraw/zinc/15/79/23/696157923.db2.gz NLMLYCPFGLVYTF-GXTWGEPZSA-N 1 2 337.855 1.877 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)CC)C2)C1 ZINC000993632193 696293276 /nfs/dbraw/zinc/29/32/76/696293276.db2.gz QNHHBAHSXHONRD-ZIAGYGMSSA-N 1 2 330.432 1.597 20 30 EDEDLO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000993687458 696310198 /nfs/dbraw/zinc/31/01/98/696310198.db2.gz MEKHSWJZQDWVQZ-PDWCTOEPSA-N 1 2 343.265 1.757 20 30 EDEDLO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000993687458 696310200 /nfs/dbraw/zinc/31/02/00/696310200.db2.gz MEKHSWJZQDWVQZ-PDWCTOEPSA-N 1 2 343.265 1.757 20 30 EDEDLO N#Cc1nccnc1NC1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060624768 696441798 /nfs/dbraw/zinc/44/17/98/696441798.db2.gz LANLYUASFYCHHW-UHFFFAOYSA-N 1 2 325.376 1.153 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nc3ncccn3n2)[C@@H]1C ZINC000994046008 696505382 /nfs/dbraw/zinc/50/53/82/696505382.db2.gz VXPAFXIWOWODIG-RYUDHWBXSA-N 1 2 334.811 1.460 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nc3ncccn3n2)[C@@H]1C ZINC000994046008 696505383 /nfs/dbraw/zinc/50/53/83/696505383.db2.gz VXPAFXIWOWODIG-RYUDHWBXSA-N 1 2 334.811 1.460 20 30 EDEDLO S=C(NC[C@H]1CCCO1)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000915943199 696606101 /nfs/dbraw/zinc/60/61/01/696606101.db2.gz YEDNFQWEJRAZQM-CQSZACIVSA-N 1 2 333.461 1.681 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3coc(CC)n3)C2)C1=O ZINC001007161314 696856277 /nfs/dbraw/zinc/85/62/77/696856277.db2.gz NHJIKKJUYBUXHY-ZFWWWQNUSA-N 1 2 346.431 1.218 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)c3coc(CC)n3)C2)C1=O ZINC001007161314 696856280 /nfs/dbraw/zinc/85/62/80/696856280.db2.gz NHJIKKJUYBUXHY-ZFWWWQNUSA-N 1 2 346.431 1.218 20 30 EDEDLO Cc1ccc(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1C#N ZINC000917006333 696873974 /nfs/dbraw/zinc/87/39/74/696873974.db2.gz AOOLXFXLDKBQBN-LSDHHAIUSA-N 1 2 330.432 1.775 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3CCCOC3)C2)c1 ZINC001031578457 697273242 /nfs/dbraw/zinc/27/32/42/697273242.db2.gz YINWOEQFMPEIJA-HNNXBMFYSA-N 1 2 331.391 1.672 20 30 EDEDLO Cc1[nH]nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c1C ZINC001031588913 697286638 /nfs/dbraw/zinc/28/66/38/697286638.db2.gz AUPGUAISSVCDPH-UHFFFAOYSA-N 1 2 329.429 1.822 20 30 EDEDLO COc1ncccc1C[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031622452 697342546 /nfs/dbraw/zinc/34/25/46/697342546.db2.gz KDAFUIIXACSNTO-UHFFFAOYSA-N 1 2 325.372 1.152 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000994632804 697347514 /nfs/dbraw/zinc/34/75/14/697347514.db2.gz VJVMULKOQBENFN-FZKQIMNGSA-N 1 2 330.432 1.375 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cncnc3)C2)c(F)c1 ZINC001031628124 697367313 /nfs/dbraw/zinc/36/73/13/697367313.db2.gz YFYRSLOCBBAAAS-UHFFFAOYSA-N 1 2 325.347 1.349 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@@H](CNC(=O)[C@@H](C)C#N)CC1 ZINC001060740073 697379919 /nfs/dbraw/zinc/37/99/19/697379919.db2.gz RNVOHAFFUNFQAC-LXTVHRRPSA-N 1 2 345.447 1.539 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@@H](CNC(=O)[C@@H](C)C#N)CC1 ZINC001060740073 697379922 /nfs/dbraw/zinc/37/99/22/697379922.db2.gz RNVOHAFFUNFQAC-LXTVHRRPSA-N 1 2 345.447 1.539 20 30 EDEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(C#N)s2)n1 ZINC000921094258 697513466 /nfs/dbraw/zinc/51/34/66/697513466.db2.gz ZITJVSCNMLSPHX-UHFFFAOYSA-N 1 2 342.471 1.616 20 30 EDEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000921414521 697598133 /nfs/dbraw/zinc/59/81/33/697598133.db2.gz OXPKZGAXRDSNLJ-LLVKDONJSA-N 1 2 333.335 1.559 20 30 EDEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000921414521 697598135 /nfs/dbraw/zinc/59/81/35/697598135.db2.gz OXPKZGAXRDSNLJ-LLVKDONJSA-N 1 2 333.335 1.559 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000921439716 697613842 /nfs/dbraw/zinc/61/38/42/697613842.db2.gz IMVQBOCDNBQYJO-UHFFFAOYSA-N 1 2 348.255 1.764 20 30 EDEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001060753263 697913038 /nfs/dbraw/zinc/91/30/38/697913038.db2.gz FGZAFHRGIZYSEK-BTFPBAQTSA-N 1 2 343.431 1.464 20 30 EDEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001060753263 697913039 /nfs/dbraw/zinc/91/30/39/697913039.db2.gz FGZAFHRGIZYSEK-BTFPBAQTSA-N 1 2 343.431 1.464 20 30 EDEDLO C=C1CC(C)(C(=O)N2CCCC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000943383658 698219876 /nfs/dbraw/zinc/21/98/76/698219876.db2.gz IGBDDNWRNISOGF-HNNXBMFYSA-N 1 2 344.459 1.816 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](C)C1 ZINC000943727030 698756098 /nfs/dbraw/zinc/75/60/98/698756098.db2.gz NPJOFEHQLLOPGN-PSASIEDQSA-N 1 2 329.198 1.418 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](C)C1 ZINC000943727030 698756101 /nfs/dbraw/zinc/75/61/01/698756101.db2.gz NPJOFEHQLLOPGN-PSASIEDQSA-N 1 2 329.198 1.418 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4ccccc4s3)CC2)C1 ZINC000941476400 701551898 /nfs/dbraw/zinc/55/18/98/701551898.db2.gz ZXFWPANSCPHLEJ-UHFFFAOYSA-N 1 2 339.464 1.977 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc4cnccc4c3)CC2)C1 ZINC000941484915 701555026 /nfs/dbraw/zinc/55/50/26/701555026.db2.gz KNQOVANMFJGWQU-UHFFFAOYSA-N 1 2 348.450 1.239 20 30 EDEDLO CCOc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)[nH]n1 ZINC001031762911 699016146 /nfs/dbraw/zinc/01/61/46/699016146.db2.gz AOWMXCXKDKNKDQ-UHFFFAOYSA-N 1 2 345.428 1.603 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001031784965 699220220 /nfs/dbraw/zinc/22/02/20/699220220.db2.gz ZYQJZHZWQTUGLW-SFHVURJKSA-N 1 2 349.438 1.565 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4ncccc4c3)CC2)C1 ZINC000941543119 701575360 /nfs/dbraw/zinc/57/53/60/701575360.db2.gz IGEYTCNVRSOKSL-UHFFFAOYSA-N 1 2 348.450 1.700 20 30 EDEDLO Cc1nnccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031817240 699518357 /nfs/dbraw/zinc/51/83/57/699518357.db2.gz VSNVQZAOWHSEAW-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@](C)(OC)c3ccccc3)CC2)C1 ZINC000941640762 701600142 /nfs/dbraw/zinc/60/01/42/701600142.db2.gz AISABJLLPAFCKY-FQEVSTJZSA-N 1 2 341.455 1.010 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)[C@@H](C)C1 ZINC000939616604 699767326 /nfs/dbraw/zinc/76/73/26/699767326.db2.gz QJSHXQGGQKVMAW-GUYCJALGSA-N 1 2 338.411 1.539 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](F)Cc3ccccc3)CC2)C1 ZINC000941674940 701614696 /nfs/dbraw/zinc/61/46/96/701614696.db2.gz NQORAMJIGSKGKH-LJQANCHMSA-N 1 2 343.446 1.419 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)C1 ZINC000945431939 700278171 /nfs/dbraw/zinc/27/81/71/700278171.db2.gz MAYCSHYFWOLGQC-UKRRQHHQSA-N 1 2 344.459 1.970 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@]3(C)CCC(C)=C(C)C3)CC2)C1 ZINC000941682074 701626739 /nfs/dbraw/zinc/62/67/39/701626739.db2.gz FDOGYKYQMQAXPX-FQEVSTJZSA-N 1 2 329.488 1.975 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCO2)cc1C#N ZINC001032265028 700458337 /nfs/dbraw/zinc/45/83/37/700458337.db2.gz CYNPMHZNIDCSFG-BQFCYCMXSA-N 1 2 341.411 1.531 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCO2)cc1C#N ZINC001032265028 700458340 /nfs/dbraw/zinc/45/83/40/700458340.db2.gz CYNPMHZNIDCSFG-BQFCYCMXSA-N 1 2 341.411 1.531 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)C1 ZINC000945550267 700467710 /nfs/dbraw/zinc/46/77/10/700467710.db2.gz PSBITVFNDTYWRM-HIFRSBDPSA-N 1 2 330.432 1.662 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2cnco2)C1 ZINC001031880723 700499122 /nfs/dbraw/zinc/49/91/22/700499122.db2.gz PMNJRNJMJIQFJW-UHFFFAOYSA-N 1 2 326.356 1.417 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC000945968452 701324640 /nfs/dbraw/zinc/32/46/40/701324640.db2.gz DZZHGFRYXJOMBG-DOTOQJQBSA-N 1 2 340.427 1.205 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC000945968452 701324642 /nfs/dbraw/zinc/32/46/42/701324642.db2.gz DZZHGFRYXJOMBG-DOTOQJQBSA-N 1 2 340.427 1.205 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H]2[C@H](CCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000945954670 701336202 /nfs/dbraw/zinc/33/62/02/701336202.db2.gz RYBNALYWQCEFNR-HZPDHXFCSA-N 1 2 340.427 1.205 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000941227836 701417076 /nfs/dbraw/zinc/41/70/76/701417076.db2.gz BCIJJFWMMXWWQE-LSDHHAIUSA-N 1 2 344.459 1.765 20 30 EDEDLO C/C=C(/C)C(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941367002 701492960 /nfs/dbraw/zinc/49/29/60/701492960.db2.gz XBVHOMJNZGJPIO-XFQLMFQHSA-N 1 2 338.455 1.853 20 30 EDEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4c[nH]nc43)CC2)C1 ZINC000941411041 701527191 /nfs/dbraw/zinc/52/71/91/701527191.db2.gz SITHAUQITXWXAX-KRWDZBQOSA-N 1 2 343.475 1.234 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3nc(C)sc3C)CC2)C1 ZINC000941454787 701548374 /nfs/dbraw/zinc/54/83/74/701548374.db2.gz JSENRDROCPLXDV-UHFFFAOYSA-N 1 2 332.473 1.225 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cccc1NC(N)=O ZINC001032654344 706610588 /nfs/dbraw/zinc/61/05/88/706610588.db2.gz VCJUASDYGRVLCQ-RYUDHWBXSA-N 1 2 330.363 1.238 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cccc1NC(N)=O ZINC001032654344 706610589 /nfs/dbraw/zinc/61/05/89/706610589.db2.gz VCJUASDYGRVLCQ-RYUDHWBXSA-N 1 2 330.363 1.238 20 30 EDEDLO Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC000941967104 702227795 /nfs/dbraw/zinc/22/77/95/702227795.db2.gz QLFQTGCEBCLZHK-GWCFXTLKSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nonc1C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC000941967104 702227797 /nfs/dbraw/zinc/22/77/97/702227797.db2.gz QLFQTGCEBCLZHK-GWCFXTLKSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nc(C)c(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)[nH]1 ZINC001031984990 702355925 /nfs/dbraw/zinc/35/59/25/702355925.db2.gz IKELEMYJXMYOFX-UHFFFAOYSA-N 1 2 341.390 1.899 20 30 EDEDLO C[C@@H]1CC[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)O1 ZINC001031987140 702412944 /nfs/dbraw/zinc/41/29/44/702412944.db2.gz VCOYEHODSUBEIB-RDTXWAMCSA-N 1 2 330.403 1.793 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnns3)C[C@H]2C)nc1 ZINC000944193028 702487180 /nfs/dbraw/zinc/48/71/80/702487180.db2.gz QQUPNKDUSFJOLC-IUODEOHRSA-N 1 2 341.440 1.555 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnns3)C[C@H]2C)nc1 ZINC000944193028 702487185 /nfs/dbraw/zinc/48/71/85/702487185.db2.gz QQUPNKDUSFJOLC-IUODEOHRSA-N 1 2 341.440 1.555 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2nncn2C)C[C@@H]1C ZINC000942130686 702634505 /nfs/dbraw/zinc/63/45/05/702634505.db2.gz PKUPJXZXIGIVMS-GJZGRUSLSA-N 1 2 342.447 1.443 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2nncn2C)C[C@@H]1C ZINC000942130686 702634507 /nfs/dbraw/zinc/63/45/07/702634507.db2.gz PKUPJXZXIGIVMS-GJZGRUSLSA-N 1 2 342.447 1.443 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000942216992 702719634 /nfs/dbraw/zinc/71/96/34/702719634.db2.gz UMUCTFCFNRGNQH-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000942216992 702719638 /nfs/dbraw/zinc/71/96/38/702719638.db2.gz UMUCTFCFNRGNQH-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C=C1CCC(C(=O)N2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000942215263 702729654 /nfs/dbraw/zinc/72/96/54/702729654.db2.gz KQCSDPYKWPMSBF-UHFFFAOYSA-N 1 2 330.432 1.760 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000996407334 702760943 /nfs/dbraw/zinc/76/09/43/702760943.db2.gz NNDSWAXZZWIHBO-DZKIICNBSA-N 1 2 348.447 1.686 20 30 EDEDLO CCn1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c(C)n1 ZINC001032015613 702886135 /nfs/dbraw/zinc/88/61/35/702886135.db2.gz WWSMVCKMTUZKJX-UHFFFAOYSA-N 1 2 337.427 1.945 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCn2cc(Cl)cn2)[nH]1 ZINC001032362371 703228519 /nfs/dbraw/zinc/22/85/19/703228519.db2.gz YEZUDZSNNNBSKH-KBPBESRZSA-N 1 2 344.806 1.335 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCn2cc(Cl)cn2)[nH]1 ZINC001032362371 703228521 /nfs/dbraw/zinc/22/85/21/703228521.db2.gz YEZUDZSNNNBSKH-KBPBESRZSA-N 1 2 344.806 1.335 20 30 EDEDLO C=CCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864672 703776881 /nfs/dbraw/zinc/77/68/81/703776881.db2.gz YLZBCQNWUOCICK-KKUMJFAQSA-N 1 2 348.447 1.335 20 30 EDEDLO COc1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)nc1 ZINC001032511724 703880707 /nfs/dbraw/zinc/88/07/07/703880707.db2.gz BYOHQQDZOYPIEN-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO COc1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)nc1 ZINC001032511724 703880709 /nfs/dbraw/zinc/88/07/09/703880709.db2.gz BYOHQQDZOYPIEN-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC000998046187 705242503 /nfs/dbraw/zinc/24/25/03/705242503.db2.gz WJRZXAMISWWPHP-ILHHOCCXSA-N 1 2 337.383 1.584 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000998094005 705332084 /nfs/dbraw/zinc/33/20/84/705332084.db2.gz QIEQMFSNOINHNZ-MRXNPFEDSA-N 1 2 349.475 1.169 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000998094005 705332088 /nfs/dbraw/zinc/33/20/88/705332088.db2.gz QIEQMFSNOINHNZ-MRXNPFEDSA-N 1 2 349.475 1.169 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NCC#N)C1 ZINC000998299883 705703654 /nfs/dbraw/zinc/70/36/54/705703654.db2.gz CYVVDWPRVWLTNG-JQWIXIFHSA-N 1 2 329.326 1.153 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)c1 ZINC000998848110 706276064 /nfs/dbraw/zinc/27/60/64/706276064.db2.gz DZYVHAZIBFQQMI-CYBMUJFWSA-N 1 2 340.387 1.541 20 30 EDEDLO Cc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998959049 706399597 /nfs/dbraw/zinc/39/95/97/706399597.db2.gz XERFJBFCBVDTIH-GXFFZTMASA-N 1 2 328.376 1.533 20 30 EDEDLO CC(C)(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999125862 706550321 /nfs/dbraw/zinc/55/03/21/706550321.db2.gz CONHBCFEWPRGJR-CQSZACIVSA-N 1 2 330.432 1.861 20 30 EDEDLO CN(C(=O)C1=NC(=O)N(C)C1)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000999351325 706864138 /nfs/dbraw/zinc/86/41/38/706864138.db2.gz LYSCBCMISKVICA-UHFFFAOYSA-N 1 2 339.399 1.390 20 30 EDEDLO C=CC(C)(C)CC(=O)NC[C@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001061615764 707200677 /nfs/dbraw/zinc/20/06/77/707200677.db2.gz VGAZULHQVVOWRA-AWEZNQCLSA-N 1 2 348.447 1.288 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)C2CC([NH2+][C@H](C)c3noc(C)n3)C2)cn1 ZINC000999712486 707308742 /nfs/dbraw/zinc/30/87/42/707308742.db2.gz GUEMSXJCKAGWSG-VHWKEVPUSA-N 1 2 339.399 1.708 20 30 EDEDLO CC(C)(C(=O)N1CC[C@H](CNc2cncc(C#N)n2)C1)c1c[nH+]c[nH]1 ZINC001060894782 707643585 /nfs/dbraw/zinc/64/35/85/707643585.db2.gz QEJXABYHNGUFJB-GFCCVEGCSA-N 1 2 339.403 1.310 20 30 EDEDLO CN(C(=O)[C@]1(F)CCOC1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033362152 707648975 /nfs/dbraw/zinc/64/89/75/707648975.db2.gz QDHSTJWSPKOLCP-HKUYNNGSSA-N 1 2 348.393 1.839 20 30 EDEDLO CN(C(=O)[C@]1(F)CCOC1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033362152 707648980 /nfs/dbraw/zinc/64/89/80/707648980.db2.gz QDHSTJWSPKOLCP-HKUYNNGSSA-N 1 2 348.393 1.839 20 30 EDEDLO Cc1nsc(NC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)c1C#N ZINC001060902856 707714738 /nfs/dbraw/zinc/71/47/38/707714738.db2.gz PBIZYBXPRNFGTP-LBPRGKRZSA-N 1 2 344.444 1.858 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001033424003 707840315 /nfs/dbraw/zinc/84/03/15/707840315.db2.gz PVWXLHNHNMHTDX-CQSZACIVSA-N 1 2 349.866 1.976 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(N3CCCC3)ncn2)C1 ZINC001033424003 707840320 /nfs/dbraw/zinc/84/03/20/707840320.db2.gz PVWXLHNHNMHTDX-CQSZACIVSA-N 1 2 349.866 1.976 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001033440496 707869355 /nfs/dbraw/zinc/86/93/55/707869355.db2.gz QAFITHDONCPQQX-LBPRGKRZSA-N 1 2 338.839 1.250 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001033440496 707869357 /nfs/dbraw/zinc/86/93/57/707869357.db2.gz QAFITHDONCPQQX-LBPRGKRZSA-N 1 2 338.839 1.250 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(OCC)cc1 ZINC001032767296 707914216 /nfs/dbraw/zinc/91/42/16/707914216.db2.gz RFCGNULBIHGAFX-HOTGVXAUSA-N 1 2 328.412 1.773 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(OCC)cc1 ZINC001032767296 707914217 /nfs/dbraw/zinc/91/42/17/707914217.db2.gz RFCGNULBIHGAFX-HOTGVXAUSA-N 1 2 328.412 1.773 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001033464433 707919388 /nfs/dbraw/zinc/91/93/88/707919388.db2.gz YSXIBXHPTNXFNS-KGLIPLIRSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCC)C2)C1 ZINC001033464433 707919392 /nfs/dbraw/zinc/91/93/92/707919392.db2.gz YSXIBXHPTNXFNS-KGLIPLIRSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001033494585 707989971 /nfs/dbraw/zinc/98/99/71/707989971.db2.gz LYVSUBNPOHUJDA-GFCCVEGCSA-N 1 2 335.795 1.334 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3n[nH]c(=O)n3c2)C1 ZINC001033494585 707989975 /nfs/dbraw/zinc/98/99/75/707989975.db2.gz LYVSUBNPOHUJDA-GFCCVEGCSA-N 1 2 335.795 1.334 20 30 EDEDLO C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=O)N(C)C)c1ccccc1 ZINC001032797096 708070313 /nfs/dbraw/zinc/07/03/13/708070313.db2.gz IZJCKINSKNMARY-ULQDDVLXSA-N 1 2 327.428 1.330 20 30 EDEDLO C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=O)N(C)C)c1ccccc1 ZINC001032797096 708070315 /nfs/dbraw/zinc/07/03/15/708070315.db2.gz IZJCKINSKNMARY-ULQDDVLXSA-N 1 2 327.428 1.330 20 30 EDEDLO CN(C(=O)c1ncccn1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033526503 708142728 /nfs/dbraw/zinc/14/27/28/708142728.db2.gz NWKIXIRZMNPKFE-QGZVFWFLSA-N 1 2 338.386 1.814 20 30 EDEDLO CN(C(=O)c1ncccn1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033526503 708142732 /nfs/dbraw/zinc/14/27/32/708142732.db2.gz NWKIXIRZMNPKFE-QGZVFWFLSA-N 1 2 338.386 1.814 20 30 EDEDLO Cc1nonc1C[NH+]1CCC(N(C)C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001005224460 708285428 /nfs/dbraw/zinc/28/54/28/708285428.db2.gz KMZXIUUXQIUQRS-UHFFFAOYSA-N 1 2 328.376 1.314 20 30 EDEDLO N#Cc1nccc(NC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001061025588 708317830 /nfs/dbraw/zinc/31/78/30/708317830.db2.gz PZJQYIPSKZKOEN-GFCCVEGCSA-N 1 2 347.382 1.221 20 30 EDEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](CNc2ccc(C#N)nc2)C1 ZINC001061035731 708428491 /nfs/dbraw/zinc/42/84/91/708428491.db2.gz NAKLKOLYVBWZCS-AWEZNQCLSA-N 1 2 338.415 1.580 20 30 EDEDLO CN(C(=O)c1ccn(C)n1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033658637 708469200 /nfs/dbraw/zinc/46/92/00/708469200.db2.gz ZNCONBXNOZVVTN-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1ccn(C)n1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033658637 708469202 /nfs/dbraw/zinc/46/92/02/708469202.db2.gz ZNCONBXNOZVVTN-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001033801086 708793318 /nfs/dbraw/zinc/79/33/18/708793318.db2.gz CSTHAUUWZJUJGW-CZUORRHYSA-N 1 2 338.415 1.974 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001033801086 708793320 /nfs/dbraw/zinc/79/33/20/708793320.db2.gz CSTHAUUWZJUJGW-CZUORRHYSA-N 1 2 338.415 1.974 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H](C)n2cccn2)CC1 ZINC001002378747 708881779 /nfs/dbraw/zinc/88/17/79/708881779.db2.gz BVDQWJFXCKHAHL-LBPRGKRZSA-N 1 2 341.253 1.933 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001033849753 708900633 /nfs/dbraw/zinc/90/06/33/708900633.db2.gz NFCDMVYPXMHMCJ-GJZGRUSLSA-N 1 2 341.883 1.919 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001033849753 708900635 /nfs/dbraw/zinc/90/06/35/708900635.db2.gz NFCDMVYPXMHMCJ-GJZGRUSLSA-N 1 2 341.883 1.919 20 30 EDEDLO Cc1ccc(C#N)c(N[C@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001061093741 709010639 /nfs/dbraw/zinc/01/06/39/709010639.db2.gz BNTHSBJIPWVYTB-HOTGVXAUSA-N 1 2 338.415 1.998 20 30 EDEDLO CCN(C(=O)c1n[nH]nc1C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033914431 709027690 /nfs/dbraw/zinc/02/76/90/709027690.db2.gz COFVRIZOMGQKOW-INIZCTEOSA-N 1 2 338.415 1.721 20 30 EDEDLO CCN(C(=O)c1n[nH]nc1C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033914431 709027692 /nfs/dbraw/zinc/02/76/92/709027692.db2.gz COFVRIZOMGQKOW-INIZCTEOSA-N 1 2 338.415 1.721 20 30 EDEDLO CC#CCCCC(=O)N1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001061101996 709091074 /nfs/dbraw/zinc/09/10/74/709091074.db2.gz IPJUYJMHVLBONC-UHFFFAOYSA-N 1 2 342.443 1.597 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001002774927 709382493 /nfs/dbraw/zinc/38/24/93/709382493.db2.gz BYWZHDSDQQMOME-HNNXBMFYSA-N 1 2 344.459 1.622 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[N@H+](Cc3cnns3)C2)c1 ZINC001034164705 709437968 /nfs/dbraw/zinc/43/79/68/709437968.db2.gz RNEUOPLGNLMQHG-GFCCVEGCSA-N 1 2 330.417 1.522 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cnns3)C2)c1 ZINC001034164705 709437970 /nfs/dbraw/zinc/43/79/70/709437970.db2.gz RNEUOPLGNLMQHG-GFCCVEGCSA-N 1 2 330.417 1.522 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nnc(C)o2)C1 ZINC001034211516 709562012 /nfs/dbraw/zinc/56/20/12/709562012.db2.gz BEWNTJCQHXTGDS-XHSDSOJGSA-N 1 2 348.447 1.830 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nnc(C)o2)C1 ZINC001034211516 709562017 /nfs/dbraw/zinc/56/20/17/709562017.db2.gz BEWNTJCQHXTGDS-XHSDSOJGSA-N 1 2 348.447 1.830 20 30 EDEDLO CN(c1cnc(C#N)cn1)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001061204717 709664092 /nfs/dbraw/zinc/66/40/92/709664092.db2.gz YXBNEGHILYFGRE-AWEZNQCLSA-N 1 2 339.403 1.131 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn(C)nc2OC)C1 ZINC001034341523 709826721 /nfs/dbraw/zinc/82/67/21/709826721.db2.gz GEKBDRWVVVPGFX-GFCCVEGCSA-N 1 2 326.828 1.766 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn(C)nc2OC)C1 ZINC001034341523 709826726 /nfs/dbraw/zinc/82/67/26/709826726.db2.gz GEKBDRWVVVPGFX-GFCCVEGCSA-N 1 2 326.828 1.766 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@]2(F)CCOC2)CC1 ZINC001003508294 710389646 /nfs/dbraw/zinc/38/96/46/710389646.db2.gz NZZKXLDQALDQMK-CYBMUJFWSA-N 1 2 335.217 1.604 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001003788875 710561492 /nfs/dbraw/zinc/56/14/92/710561492.db2.gz QTRNAHBJDQQPGI-IRXDYDNUSA-N 1 2 347.463 1.360 20 30 EDEDLO CN(C(=O)[C@@H]1CCCO1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032894884 710644059 /nfs/dbraw/zinc/64/40/59/710644059.db2.gz YKJULLUXOFFGBT-WBVHZDCISA-N 1 2 331.391 1.909 20 30 EDEDLO CN(C(=O)[C@@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032894884 710644062 /nfs/dbraw/zinc/64/40/62/710644062.db2.gz YKJULLUXOFFGBT-WBVHZDCISA-N 1 2 331.391 1.909 20 30 EDEDLO N#CCN[C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001034713103 710843243 /nfs/dbraw/zinc/84/32/43/710843243.db2.gz NWEAMDKAFIVHAF-ZOBUZTSGSA-N 1 2 334.464 1.170 20 30 EDEDLO N#CCN[C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001034713103 710843247 /nfs/dbraw/zinc/84/32/47/710843247.db2.gz NWEAMDKAFIVHAF-ZOBUZTSGSA-N 1 2 334.464 1.170 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001032993316 711148793 /nfs/dbraw/zinc/14/87/93/711148793.db2.gz VORLKGKWCNWDRV-AWEZNQCLSA-N 1 2 340.387 1.031 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001032993316 711148798 /nfs/dbraw/zinc/14/87/98/711148798.db2.gz VORLKGKWCNWDRV-AWEZNQCLSA-N 1 2 340.387 1.031 20 30 EDEDLO N#Cc1ccc(C(=O)NCc2ccc(C[NH2+]Cc3ncccn3)cc2)[nH]1 ZINC001034814280 711190826 /nfs/dbraw/zinc/19/08/26/711190826.db2.gz YUDUXPBPCKHTNT-UHFFFAOYSA-N 1 2 346.394 1.896 20 30 EDEDLO Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)oc1C ZINC001033023264 711366609 /nfs/dbraw/zinc/36/66/09/711366609.db2.gz UTQCRUZBRKVBGY-AWEZNQCLSA-N 1 2 327.388 1.838 20 30 EDEDLO Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)oc1C ZINC001033023264 711366613 /nfs/dbraw/zinc/36/66/13/711366613.db2.gz UTQCRUZBRKVBGY-AWEZNQCLSA-N 1 2 327.388 1.838 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001004071684 711406941 /nfs/dbraw/zinc/40/69/41/711406941.db2.gz PURWOOROWORQOT-ZDUSSCGKSA-N 1 2 337.383 1.220 20 30 EDEDLO CC(C)(C)n1cnc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004549259 711960290 /nfs/dbraw/zinc/96/02/90/711960290.db2.gz WORCFBBVLOWZIW-HNNXBMFYSA-N 1 2 344.463 1.873 20 30 EDEDLO CC(C)(C)n1cnc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004549259 711960293 /nfs/dbraw/zinc/96/02/93/711960293.db2.gz WORCFBBVLOWZIW-HNNXBMFYSA-N 1 2 344.463 1.873 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CCC([C@@H]2CCCN2CC#N)CC1 ZINC001004610076 712063585 /nfs/dbraw/zinc/06/35/85/712063585.db2.gz MWOZUNQOYIXFTI-KRWDZBQOSA-N 1 2 329.448 1.579 20 30 EDEDLO C[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004637745 712107087 /nfs/dbraw/zinc/10/70/87/712107087.db2.gz WLSUVFVUFHRJKE-WMLDXEAASA-N 1 2 329.448 1.750 20 30 EDEDLO C[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004637745 712107089 /nfs/dbraw/zinc/10/70/89/712107089.db2.gz WLSUVFVUFHRJKE-WMLDXEAASA-N 1 2 329.448 1.750 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001033164126 712266032 /nfs/dbraw/zinc/26/60/32/712266032.db2.gz CLYZJRGARSJRBT-CABCVRRESA-N 1 2 349.866 1.731 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001033164126 712266034 /nfs/dbraw/zinc/26/60/34/712266034.db2.gz CLYZJRGARSJRBT-CABCVRRESA-N 1 2 349.866 1.731 20 30 EDEDLO C[C@H](COCc1ccccc1)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328875165 539373827 /nfs/dbraw/zinc/37/38/27/539373827.db2.gz JQBBGPWXPMSPOD-NXHRZFHOSA-N 1 2 347.459 1.911 20 30 EDEDLO C[C@H](COCc1ccccc1)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328875165 539373830 /nfs/dbraw/zinc/37/38/30/539373830.db2.gz JQBBGPWXPMSPOD-NXHRZFHOSA-N 1 2 347.459 1.911 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000329728862 539460129 /nfs/dbraw/zinc/46/01/29/539460129.db2.gz PBZPEROPWMKJNG-UKRRQHHQSA-N 1 2 333.436 1.746 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000329728862 539460134 /nfs/dbraw/zinc/46/01/34/539460134.db2.gz PBZPEROPWMKJNG-UKRRQHHQSA-N 1 2 333.436 1.746 20 30 EDEDLO O=C(NCCOC1CCCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329735556 539461045 /nfs/dbraw/zinc/46/10/45/539461045.db2.gz LASTWRZAIVUXBG-HNNXBMFYSA-N 1 2 325.453 1.656 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCNC(=O)CC2)cc1 ZINC000065955140 215000280 /nfs/dbraw/zinc/00/02/80/215000280.db2.gz JWIDNVXYYBYQEZ-HNNXBMFYSA-N 1 2 328.416 1.452 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCNC(=O)CC2)cc1 ZINC000065955140 215000284 /nfs/dbraw/zinc/00/02/84/215000284.db2.gz JWIDNVXYYBYQEZ-HNNXBMFYSA-N 1 2 328.416 1.452 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000354767787 283174469 /nfs/dbraw/zinc/17/44/69/283174469.db2.gz JAUBMYWVBHLTCD-JTQLQIEISA-N 1 2 343.774 1.547 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c(Cl)c1 ZINC000354767787 283174472 /nfs/dbraw/zinc/17/44/72/283174472.db2.gz JAUBMYWVBHLTCD-JTQLQIEISA-N 1 2 343.774 1.547 20 30 EDEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c1 ZINC000368775494 283190720 /nfs/dbraw/zinc/19/07/20/283190720.db2.gz QZGPLBBBWAZNSX-HNNXBMFYSA-N 1 2 343.387 1.257 20 30 EDEDLO N#Cc1ncccc1SCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000563548517 306338378 /nfs/dbraw/zinc/33/83/78/306338378.db2.gz HUXABGJMEQCMAF-UHFFFAOYSA-N 1 2 342.424 1.983 20 30 EDEDLO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000124254571 138325240 /nfs/dbraw/zinc/32/52/40/138325240.db2.gz FYQSVNAZOGZORJ-LLVKDONJSA-N 1 2 343.399 1.847 20 30 EDEDLO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000124254571 138325241 /nfs/dbraw/zinc/32/52/41/138325241.db2.gz FYQSVNAZOGZORJ-LLVKDONJSA-N 1 2 343.399 1.847 20 30 EDEDLO Cn1cc(N2CC[C@@H](O[NH+]=C(N)Cc3ccccc3Cl)C2=O)cn1 ZINC000113249225 237124239 /nfs/dbraw/zinc/12/42/39/237124239.db2.gz VHDCIJKLGLIETP-CQSZACIVSA-N 1 2 347.806 1.710 20 30 EDEDLO COCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000189678170 237138277 /nfs/dbraw/zinc/13/82/77/237138277.db2.gz WYGIBSDJMKSMJM-OCCSQVGLSA-N 1 2 335.404 1.832 20 30 EDEDLO COCCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000189678170 237138284 /nfs/dbraw/zinc/13/82/84/237138284.db2.gz WYGIBSDJMKSMJM-OCCSQVGLSA-N 1 2 335.404 1.832 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135616111 201129500 /nfs/dbraw/zinc/12/95/00/201129500.db2.gz DUWYUOPMGBHRSW-AWEZNQCLSA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135616111 201129504 /nfs/dbraw/zinc/12/95/04/201129504.db2.gz DUWYUOPMGBHRSW-AWEZNQCLSA-N 1 2 329.400 1.767 20 30 EDEDLO CCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000077389082 201180964 /nfs/dbraw/zinc/18/09/64/201180964.db2.gz OCFDYGOJRCXOMX-OAHLLOKOSA-N 1 2 334.464 1.662 20 30 EDEDLO CCC(=O)N1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000077389082 201180965 /nfs/dbraw/zinc/18/09/65/201180965.db2.gz OCFDYGOJRCXOMX-OAHLLOKOSA-N 1 2 334.464 1.662 20 30 EDEDLO N#CCC[C@@H](C#N)CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000070869220 201170299 /nfs/dbraw/zinc/17/02/99/201170299.db2.gz UVLRTNPTKHKWNL-KRWDZBQOSA-N 1 2 331.464 1.450 20 30 EDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000276880627 201299260 /nfs/dbraw/zinc/29/92/60/201299260.db2.gz AUGHMEBLSXXSHD-LLVKDONJSA-N 1 2 332.356 1.152 20 30 EDEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000276880627 201299267 /nfs/dbraw/zinc/29/92/67/201299267.db2.gz AUGHMEBLSXXSHD-LLVKDONJSA-N 1 2 332.356 1.152 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000279633325 201319760 /nfs/dbraw/zinc/31/97/60/201319760.db2.gz ZJNALPXNHLDYLK-NVXWUHKLSA-N 1 2 333.432 1.917 20 30 EDEDLO C#CCn1ccc(CN(CC)c2cc(N3CCC[C@H]3CO)[nH+]cn2)n1 ZINC000278960696 201312895 /nfs/dbraw/zinc/31/28/95/201312895.db2.gz YDWJKQYSDHDLIT-INIZCTEOSA-N 1 2 340.431 1.294 20 30 EDEDLO C#CCn1ccc(CN(CC)c2cc(N3CCC[C@H]3CO)nc[nH+]2)n1 ZINC000278960696 201312896 /nfs/dbraw/zinc/31/28/96/201312896.db2.gz YDWJKQYSDHDLIT-INIZCTEOSA-N 1 2 340.431 1.294 20 30 EDEDLO COc1ccc(OC)c(C[NH+]2CCN(c3cnc(C#N)cn3)CC2)c1 ZINC000106464002 204196436 /nfs/dbraw/zinc/19/64/36/204196436.db2.gz QQNJXECNSRKJLZ-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081011257 217351053 /nfs/dbraw/zinc/35/10/53/217351053.db2.gz PQXKXNJZMYJNON-UHFFFAOYSA-N 1 2 331.460 1.934 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000081011257 217351056 /nfs/dbraw/zinc/35/10/56/217351056.db2.gz PQXKXNJZMYJNON-UHFFFAOYSA-N 1 2 331.460 1.934 20 30 EDEDLO C[N@H+](CC(=O)NCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000246233425 249307004 /nfs/dbraw/zinc/30/70/04/249307004.db2.gz HKZUCWSGHQDSHK-OCCSQVGLSA-N 1 2 328.199 1.523 20 30 EDEDLO C[N@@H+](CC(=O)NCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000246233425 249307008 /nfs/dbraw/zinc/30/70/08/249307008.db2.gz HKZUCWSGHQDSHK-OCCSQVGLSA-N 1 2 328.199 1.523 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000266383458 249347439 /nfs/dbraw/zinc/34/74/39/249347439.db2.gz IPWSGDOMGZUZGT-ZDUSSCGKSA-N 1 2 335.379 1.680 20 30 EDEDLO Cc1csc(=O)n1CC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247388900 139146815 /nfs/dbraw/zinc/14/68/15/139146815.db2.gz QGLMGYJAJRHUDV-GFCCVEGCSA-N 1 2 344.444 1.091 20 30 EDEDLO Cc1csc(=O)n1CC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247388900 139146816 /nfs/dbraw/zinc/14/68/16/139146816.db2.gz QGLMGYJAJRHUDV-GFCCVEGCSA-N 1 2 344.444 1.091 20 30 EDEDLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)CC(C)(C)CC#N)C[C@H](C)O1 ZINC000331320239 249915408 /nfs/dbraw/zinc/91/54/08/249915408.db2.gz KKOKZDMDKVAOQT-KBPBESRZSA-N 1 2 345.509 1.733 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000352303896 250080083 /nfs/dbraw/zinc/08/00/83/250080083.db2.gz FOFPLFCBTSVNCG-WMZOPIPTSA-N 1 2 329.400 1.961 20 30 EDEDLO C=CCOc1ccc(C[NH+]2CC(n3cc(C(=O)OC)nn3)C2)cc1 ZINC000355000877 250103608 /nfs/dbraw/zinc/10/36/08/250103608.db2.gz OSWBDDQWVDJLNY-UHFFFAOYSA-N 1 2 328.372 1.686 20 30 EDEDLO CCCN1C(=O)CC[C@H](C(=O)N(C)C[C@H](C)C#N)[C@@H]1c1c[nH+]cn1C ZINC000355038240 250104896 /nfs/dbraw/zinc/10/48/96/250104896.db2.gz NALBQXITMRJKMT-JKIFEVAISA-N 1 2 345.447 1.728 20 30 EDEDLO C=CCOC[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)C(=O)OC ZINC000361108569 250170776 /nfs/dbraw/zinc/17/07/76/250170776.db2.gz CQNHZGWBFSLCGX-CQSZACIVSA-N 1 2 326.437 1.357 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000365920140 250188448 /nfs/dbraw/zinc/18/84/48/250188448.db2.gz RDNYNFNJTXJEOK-ZDUSSCGKSA-N 1 2 330.436 1.715 20 30 EDEDLO C=CCCS(=O)(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000368562254 250200560 /nfs/dbraw/zinc/20/05/60/250200560.db2.gz DSTXVNGMFNFYBS-UHFFFAOYSA-N 1 2 341.477 1.107 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093843591 218254805 /nfs/dbraw/zinc/25/48/05/218254805.db2.gz ONVOUNGAWJRWPW-AWEZNQCLSA-N 1 2 332.473 1.748 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093843591 218254807 /nfs/dbraw/zinc/25/48/07/218254807.db2.gz ONVOUNGAWJRWPW-AWEZNQCLSA-N 1 2 332.473 1.748 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000175463871 207130098 /nfs/dbraw/zinc/13/00/98/207130098.db2.gz WECBAGVWFFCSMP-UHFFFAOYSA-N 1 2 335.429 1.044 20 30 EDEDLO C=CCn1cc(CNC(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)nn1 ZINC000424908944 252284975 /nfs/dbraw/zinc/28/49/75/252284975.db2.gz QVOKOCBVVJTFMW-MRXNPFEDSA-N 1 2 335.452 1.217 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263656576 139350327 /nfs/dbraw/zinc/35/03/27/139350327.db2.gz COULNMXZGYPFJY-CYBMUJFWSA-N 1 2 341.415 1.057 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000459823627 255004392 /nfs/dbraw/zinc/00/43/92/255004392.db2.gz QPLXYRDWLJRVDM-OAHLLOKOSA-N 1 2 332.448 1.626 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000488905785 255058898 /nfs/dbraw/zinc/05/88/98/255058898.db2.gz XCNXSKCWBYPNNB-HNNXBMFYSA-N 1 2 325.416 1.811 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000488905785 255058899 /nfs/dbraw/zinc/05/88/99/255058899.db2.gz XCNXSKCWBYPNNB-HNNXBMFYSA-N 1 2 325.416 1.811 20 30 EDEDLO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCOC1 ZINC000490064908 255077192 /nfs/dbraw/zinc/07/71/92/255077192.db2.gz VGOLNDOTQQEXKC-CQSZACIVSA-N 1 2 337.807 1.887 20 30 EDEDLO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCOC1 ZINC000490064908 255077193 /nfs/dbraw/zinc/07/71/93/255077193.db2.gz VGOLNDOTQQEXKC-CQSZACIVSA-N 1 2 337.807 1.887 20 30 EDEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000490781061 255106873 /nfs/dbraw/zinc/10/68/73/255106873.db2.gz VJPJAYGTDHSJRA-UHFFFAOYSA-N 1 2 330.432 1.907 20 30 EDEDLO C#CC[N@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000490781061 255106874 /nfs/dbraw/zinc/10/68/74/255106874.db2.gz VJPJAYGTDHSJRA-UHFFFAOYSA-N 1 2 330.432 1.907 20 30 EDEDLO C#CCN(C(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C1CCCC1 ZINC000491642085 255136605 /nfs/dbraw/zinc/13/66/05/255136605.db2.gz VIJNDSGXJUHPFH-RDJZCZTQSA-N 1 2 342.443 1.697 20 30 EDEDLO C#CCNC(=O)C1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000491697875 255142590 /nfs/dbraw/zinc/14/25/90/255142590.db2.gz RTCKBUCCIILYIV-HNNXBMFYSA-N 1 2 343.431 1.042 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)Oc2cc([S@](C)=O)c(C)cc2OC)CC1 ZINC000491787491 255147414 /nfs/dbraw/zinc/14/74/14/255147414.db2.gz XTIKOMHRMWDOGX-DEOSSOPVSA-N 1 2 349.452 1.992 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000491818246 255149794 /nfs/dbraw/zinc/14/97/94/255149794.db2.gz PWEFTJRWNKONRS-CZUORRHYSA-N 1 2 330.432 1.497 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000491818246 255149795 /nfs/dbraw/zinc/14/97/95/255149795.db2.gz PWEFTJRWNKONRS-CZUORRHYSA-N 1 2 330.432 1.497 20 30 EDEDLO C=CCCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000493335338 255205010 /nfs/dbraw/zinc/20/50/10/255205010.db2.gz BNZQPTFAPVFNPO-CYBMUJFWSA-N 1 2 347.481 1.033 20 30 EDEDLO C=CCCS(=O)(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000493335338 255205011 /nfs/dbraw/zinc/20/50/11/255205011.db2.gz BNZQPTFAPVFNPO-CYBMUJFWSA-N 1 2 347.481 1.033 20 30 EDEDLO CN1C[C@@H](C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)OC1=O ZINC000496274114 255373307 /nfs/dbraw/zinc/37/33/07/255373307.db2.gz LAHQHFRWWDIRFJ-ZDUSSCGKSA-N 1 2 334.807 1.784 20 30 EDEDLO Cc1c[nH+]ccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000119157671 221255136 /nfs/dbraw/zinc/25/51/36/221255136.db2.gz YICWFYKTMZUFBM-LBPRGKRZSA-N 1 2 344.396 1.567 20 30 EDEDLO N#Cc1cccnc1N1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000270229855 140063608 /nfs/dbraw/zinc/06/36/08/140063608.db2.gz DZXPAHVZHCTSGX-UHFFFAOYSA-N 1 2 335.415 1.892 20 30 EDEDLO N#Cc1cccnc1N1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000270229855 140063610 /nfs/dbraw/zinc/06/36/10/140063610.db2.gz DZXPAHVZHCTSGX-UHFFFAOYSA-N 1 2 335.415 1.892 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000287623467 140600815 /nfs/dbraw/zinc/60/08/15/140600815.db2.gz ZEVIRQAOFUONKP-ZOBUZTSGSA-N 1 2 343.427 1.647 20 30 EDEDLO Cc1cc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)ccc1C#N ZINC000331301341 141005393 /nfs/dbraw/zinc/00/53/93/141005393.db2.gz WPTOZDRUXWFJMJ-UHFFFAOYSA-N 1 2 345.428 1.096 20 30 EDEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000331418293 141022309 /nfs/dbraw/zinc/02/23/09/141022309.db2.gz KPNHFCSPGAVEEE-HOTGVXAUSA-N 1 2 331.391 1.909 20 30 EDEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000331418293 141022311 /nfs/dbraw/zinc/02/23/11/141022311.db2.gz KPNHFCSPGAVEEE-HOTGVXAUSA-N 1 2 331.391 1.909 20 30 EDEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]c(=O)c1 ZINC000332130120 141128198 /nfs/dbraw/zinc/12/81/98/141128198.db2.gz OEEDWPDBAAEXOE-UHFFFAOYSA-N 1 2 336.395 1.925 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c(O)c2)CCO1 ZINC000332390065 141173631 /nfs/dbraw/zinc/17/36/31/141173631.db2.gz JPTHJDADERYKOU-CJNGLKHVSA-N 1 2 326.356 1.647 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000345135428 143055782 /nfs/dbraw/zinc/05/57/82/143055782.db2.gz QUOZMWOTZTVDMU-CYBMUJFWSA-N 1 2 340.383 1.664 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000345135428 143055783 /nfs/dbraw/zinc/05/57/83/143055783.db2.gz QUOZMWOTZTVDMU-CYBMUJFWSA-N 1 2 340.383 1.664 20 30 EDEDLO COc1ccncc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000347226142 143297279 /nfs/dbraw/zinc/29/72/79/143297279.db2.gz MESUJRACLDWTGM-UHFFFAOYSA-N 1 2 326.404 1.326 20 30 EDEDLO Cc1c([C@H]2[C@@H]([NH2+]Cc3nc(C#N)cs3)CC(=O)N2C)cnn1C ZINC000352955135 149227957 /nfs/dbraw/zinc/22/79/57/149227957.db2.gz YHJISOBBCDHMRK-WFASDCNBSA-N 1 2 330.417 1.118 20 30 EDEDLO CN(C[C@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1cnc(C#N)cn1 ZINC000355359110 150231469 /nfs/dbraw/zinc/23/14/69/150231469.db2.gz CVDXMMSQFVKKSJ-DZGCQCFKSA-N 1 2 329.383 1.131 20 30 EDEDLO CN(C[C@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1cnc(C#N)cn1 ZINC000355359110 150231471 /nfs/dbraw/zinc/23/14/71/150231471.db2.gz CVDXMMSQFVKKSJ-DZGCQCFKSA-N 1 2 329.383 1.131 20 30 EDEDLO Cc1cc(NS(=O)(=O)c2cncc(C#N)c2)n(-c2cc[nH+]cc2)n1 ZINC000357366060 151008753 /nfs/dbraw/zinc/00/87/53/151008753.db2.gz DCRRTHHMEAPZDI-UHFFFAOYSA-N 1 2 340.368 1.643 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)C(N)=O)cc1 ZINC000360061636 151896235 /nfs/dbraw/zinc/89/62/35/151896235.db2.gz SNBLWODRYRXTOT-MAUKXSAKSA-N 1 2 334.379 1.480 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000363743841 153044832 /nfs/dbraw/zinc/04/48/32/153044832.db2.gz CRDJGYBJTQTMLA-AWEZNQCLSA-N 1 2 340.383 1.981 20 30 EDEDLO N#Cc1ccc(S(N)(=O)=O)cc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000367417288 154111590 /nfs/dbraw/zinc/11/15/90/154111590.db2.gz FCDYXABKVSDDIA-CQSZACIVSA-N 1 2 344.396 1.258 20 30 EDEDLO N#Cc1c(NC[C@@]2([NH+]3CCOCC3)CCCOC2)nc2ccccn21 ZINC000371735246 156082497 /nfs/dbraw/zinc/08/24/97/156082497.db2.gz RJOWMMGSLBLUHW-SFHVURJKSA-N 1 2 341.415 1.499 20 30 EDEDLO N#Cc1c(F)cccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000372293314 156317771 /nfs/dbraw/zinc/31/77/71/156317771.db2.gz DEYRZFKVTYTXSF-GOSISDBHSA-N 1 2 347.390 1.309 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000352321756 162115926 /nfs/dbraw/zinc/11/59/26/162115926.db2.gz BEAKRYDYPXIHGJ-UHFFFAOYSA-N 1 2 343.412 1.427 20 30 EDEDLO CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000119683209 287354958 /nfs/dbraw/zinc/35/49/58/287354958.db2.gz AKBXSGKHMKRRGC-UHFFFAOYSA-N 1 2 331.763 1.542 20 30 EDEDLO COCc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)cc1C#N ZINC000529204743 269755210 /nfs/dbraw/zinc/75/52/10/269755210.db2.gz HJAMKJGFFOSZLW-UHFFFAOYSA-N 1 2 344.415 1.691 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)COc1ccc(C#N)cc1 ZINC000285907938 269892915 /nfs/dbraw/zinc/89/29/15/269892915.db2.gz SFVOZOHLMZGGPJ-GOEBONIOSA-N 1 2 329.400 1.259 20 30 EDEDLO CC[N@H+]([C@H]1CCNC1=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000282421311 266139885 /nfs/dbraw/zinc/13/98/85/266139885.db2.gz QUTFAMLVJKMCIK-HOTGVXAUSA-N 1 2 326.400 1.264 20 30 EDEDLO CC[N@@H+]([C@H]1CCNC1=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000282421311 266139889 /nfs/dbraw/zinc/13/98/89/266139889.db2.gz QUTFAMLVJKMCIK-HOTGVXAUSA-N 1 2 326.400 1.264 20 30 EDEDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)o2)C[C@@H](C)O1 ZINC000286657669 267043029 /nfs/dbraw/zinc/04/30/29/267043029.db2.gz OSOXIJOQAJUNQL-VXGBXAGGSA-N 1 2 341.433 1.317 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289491078 267138045 /nfs/dbraw/zinc/13/80/45/267138045.db2.gz SOYKJYQEJSQRBR-YPMHNXCESA-N 1 2 340.387 1.176 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289491078 267138052 /nfs/dbraw/zinc/13/80/52/267138052.db2.gz SOYKJYQEJSQRBR-YPMHNXCESA-N 1 2 340.387 1.176 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284293024 267138167 /nfs/dbraw/zinc/13/81/67/267138167.db2.gz OCYCPOXHGUTNDY-YPMHNXCESA-N 1 2 341.371 1.441 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284293024 267138169 /nfs/dbraw/zinc/13/81/69/267138169.db2.gz OCYCPOXHGUTNDY-YPMHNXCESA-N 1 2 341.371 1.441 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296679133 267140159 /nfs/dbraw/zinc/14/01/59/267140159.db2.gz LGNDNQLXTRCALX-TZMCWYRMSA-N 1 2 330.388 1.658 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296679133 267140163 /nfs/dbraw/zinc/14/01/63/267140163.db2.gz LGNDNQLXTRCALX-TZMCWYRMSA-N 1 2 330.388 1.658 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2ccc(F)cc2C#N)CCN1C ZINC000275585375 267829699 /nfs/dbraw/zinc/82/96/99/267829699.db2.gz RWINWTWXNDZTEU-OAHLLOKOSA-N 1 2 342.378 1.951 20 30 EDEDLO Cc1ncc(S(=O)(=O)Nc2cc(C[NH+](C)C)ccn2)cc1C#N ZINC000427764476 268086188 /nfs/dbraw/zinc/08/61/88/268086188.db2.gz TWWDQPXSIYNZGM-UHFFFAOYSA-N 1 2 331.401 1.519 20 30 EDEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cccnc3C#N)CC2)C1 ZINC000274001910 268096043 /nfs/dbraw/zinc/09/60/43/268096043.db2.gz JUJRFWQOWPDMNU-HOTGVXAUSA-N 1 2 341.459 1.580 20 30 EDEDLO N#Cc1ccc(Cl)cc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274255199 268101850 /nfs/dbraw/zinc/10/18/50/268101850.db2.gz YRBMVYVVFFTCLG-UHFFFAOYSA-N 1 2 344.820 1.643 20 30 EDEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)Cc2ccc(C#N)nc2)cn1 ZINC000529304781 268127171 /nfs/dbraw/zinc/12/71/71/268127171.db2.gz JNQKTEAYCLHGOX-UHFFFAOYSA-N 1 2 349.398 1.155 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000290921783 268129529 /nfs/dbraw/zinc/12/95/29/268129529.db2.gz XULUSCAVTGLQRT-UHFFFAOYSA-N 1 2 341.346 1.696 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2CCC(F)(F)C2)c1=O ZINC000520429465 268179973 /nfs/dbraw/zinc/17/99/73/268179973.db2.gz PIDKETPUIBXCOS-CYBMUJFWSA-N 1 2 337.370 1.988 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)nc1 ZINC000290410850 268188146 /nfs/dbraw/zinc/18/81/46/268188146.db2.gz UFZNBOSEUMYFBF-DOTOQJQBSA-N 1 2 349.456 1.354 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)nc1 ZINC000290410850 268188147 /nfs/dbraw/zinc/18/81/47/268188147.db2.gz UFZNBOSEUMYFBF-DOTOQJQBSA-N 1 2 349.456 1.354 20 30 EDEDLO N#Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cn1 ZINC000433970909 268206428 /nfs/dbraw/zinc/20/64/28/268206428.db2.gz HRRIQHWENOOSBW-UHFFFAOYSA-N 1 2 335.367 1.049 20 30 EDEDLO N#Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cn1 ZINC000433970909 268206429 /nfs/dbraw/zinc/20/64/29/268206429.db2.gz HRRIQHWENOOSBW-UHFFFAOYSA-N 1 2 335.367 1.049 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000528559657 268301329 /nfs/dbraw/zinc/30/13/29/268301329.db2.gz BKKUNOILTROLKQ-QGZVFWFLSA-N 1 2 340.379 1.898 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOc2ccc(O)cc2C1 ZINC000528559657 268301332 /nfs/dbraw/zinc/30/13/32/268301332.db2.gz BKKUNOILTROLKQ-QGZVFWFLSA-N 1 2 340.379 1.898 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496783556 268306307 /nfs/dbraw/zinc/30/63/07/268306307.db2.gz GANMSSDIFXSGAI-LLVKDONJSA-N 1 2 334.401 1.332 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496783556 268306309 /nfs/dbraw/zinc/30/63/09/268306309.db2.gz GANMSSDIFXSGAI-LLVKDONJSA-N 1 2 334.401 1.332 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCCC(=O)N3)CC2)cc1 ZINC000278896532 273268697 /nfs/dbraw/zinc/26/86/97/273268697.db2.gz FHEPFEPHPXWRRT-KRWDZBQOSA-N 1 2 340.427 1.261 20 30 EDEDLO COC(=O)[C@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1C ZINC000191832057 277130306 /nfs/dbraw/zinc/13/03/06/277130306.db2.gz JSIPFFUGVBNNRA-KWCYVHTRSA-N 1 2 347.440 1.856 20 30 EDEDLO COC(=O)[C@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1C ZINC000191832057 277130309 /nfs/dbraw/zinc/13/03/09/277130309.db2.gz JSIPFFUGVBNNRA-KWCYVHTRSA-N 1 2 347.440 1.856 20 30 EDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000329053864 279377907 /nfs/dbraw/zinc/37/79/07/279377907.db2.gz LPLXCAZXPZKUGD-GOSISDBHSA-N 1 2 342.443 1.318 20 30 EDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000329053864 279377908 /nfs/dbraw/zinc/37/79/08/279377908.db2.gz LPLXCAZXPZKUGD-GOSISDBHSA-N 1 2 342.443 1.318 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N2CCC[C@@H]2C2CCCC2)CC1 ZINC000332031149 282025098 /nfs/dbraw/zinc/02/50/98/282025098.db2.gz RWMGOOCMJKYZOP-MRXNPFEDSA-N 1 2 346.475 1.614 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414595189 447314542 /nfs/dbraw/zinc/31/45/42/447314542.db2.gz ZUNBXIOPZOWZEC-INIZCTEOSA-N 1 2 329.444 1.754 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414595189 447314546 /nfs/dbraw/zinc/31/45/46/447314546.db2.gz ZUNBXIOPZOWZEC-INIZCTEOSA-N 1 2 329.444 1.754 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3CCOCC3)CC2)cc1 ZINC000299504056 303623260 /nfs/dbraw/zinc/62/32/60/303623260.db2.gz KVGGAUIQAUBLLT-UHFFFAOYSA-N 1 2 342.443 1.812 20 30 EDEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000422085617 447338417 /nfs/dbraw/zinc/33/84/17/447338417.db2.gz DCWXINFRIGKSQV-NVXWUHKLSA-N 1 2 340.427 1.691 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000448651496 447339242 /nfs/dbraw/zinc/33/92/42/447339242.db2.gz WRRVAEXRHQTWCT-GOSISDBHSA-N 1 2 338.411 1.998 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cncc(O)c3)CC2)cc1 ZINC000552798551 306181463 /nfs/dbraw/zinc/18/14/63/306181463.db2.gz RQQPRRVOMWQOLS-UHFFFAOYSA-N 1 2 336.395 1.546 20 30 EDEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000556944612 306221524 /nfs/dbraw/zinc/22/15/24/306221524.db2.gz BDFHPNZJNJSHKW-INIZCTEOSA-N 1 2 341.459 1.866 20 30 EDEDLO N#Cc1nc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)ccc1Cl ZINC000378150491 447403461 /nfs/dbraw/zinc/40/34/61/447403461.db2.gz LUNCJGGTKUXKPF-INIZCTEOSA-N 1 2 336.823 1.900 20 30 EDEDLO N#CC1(CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)CCC1 ZINC000450217428 447435040 /nfs/dbraw/zinc/43/50/40/447435040.db2.gz PXMPCFKBWKZCFW-UHFFFAOYSA-N 1 2 326.444 1.614 20 30 EDEDLO CN(C)c1nc(NCCCc2[nH]nc(N)c2C#N)[nH+]c2ccccc21 ZINC000450225189 447435249 /nfs/dbraw/zinc/43/52/49/447435249.db2.gz XZQQVHNYCJOWBY-UHFFFAOYSA-N 1 2 336.403 1.339 20 30 EDEDLO N#Cc1ccc(OCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000080920331 441207617 /nfs/dbraw/zinc/20/76/17/441207617.db2.gz HLASLHNTCXZNET-MRXNPFEDSA-N 1 2 329.400 1.260 20 30 EDEDLO N#CCC[N@@H+](CC(=O)NCCCN1CCCCCC1=O)CC1CC1 ZINC000081514692 441280479 /nfs/dbraw/zinc/28/04/79/441280479.db2.gz BTNLYFWCCKSSEA-UHFFFAOYSA-N 1 2 334.464 1.521 20 30 EDEDLO N#CCC[N@H+](CC(=O)NCCCN1CCCCCC1=O)CC1CC1 ZINC000081514692 441280485 /nfs/dbraw/zinc/28/04/85/441280485.db2.gz BTNLYFWCCKSSEA-UHFFFAOYSA-N 1 2 334.464 1.521 20 30 EDEDLO CCCCCNC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023258085 441292661 /nfs/dbraw/zinc/29/26/61/441292661.db2.gz SJCXZXJDMVQZKV-UHFFFAOYSA-N 1 2 328.460 1.982 20 30 EDEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCn3cc[nH+]c3)C2)n1 ZINC000081821104 441318910 /nfs/dbraw/zinc/31/89/10/441318910.db2.gz RSNZEOGFXQQCGT-MRXNPFEDSA-N 1 2 338.415 1.491 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CC)cc2)CC1 ZINC000064598241 441386746 /nfs/dbraw/zinc/38/67/46/441386746.db2.gz CACAVVQECPGOKI-UHFFFAOYSA-N 1 2 349.456 1.365 20 30 EDEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)NCc2ccccc2)CC1 ZINC000064634473 441387545 /nfs/dbraw/zinc/38/75/45/441387545.db2.gz YOGWDUOAOZCXHY-UHFFFAOYSA-N 1 2 349.438 1.782 20 30 EDEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)NCc2ccccc2)CC1 ZINC000064634473 441387549 /nfs/dbraw/zinc/38/75/49/441387549.db2.gz YOGWDUOAOZCXHY-UHFFFAOYSA-N 1 2 349.438 1.782 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000073741172 441348892 /nfs/dbraw/zinc/34/88/92/441348892.db2.gz UUHFUIGWTWFWIR-KRWDZBQOSA-N 1 2 348.491 1.799 20 30 EDEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 ZINC000026402156 441376712 /nfs/dbraw/zinc/37/67/12/441376712.db2.gz WVJBMYFHTSIPRE-QAPCUYQASA-N 1 2 342.443 1.953 20 30 EDEDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)cc1F ZINC000084866035 441423919 /nfs/dbraw/zinc/42/39/19/441423919.db2.gz NWSAVJSYRVVJGF-CQSZACIVSA-N 1 2 348.422 1.717 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000051148245 441400542 /nfs/dbraw/zinc/40/05/42/441400542.db2.gz PFUTWRAJXSITKH-UHFFFAOYSA-N 1 2 331.460 1.894 20 30 EDEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000052861755 441482118 /nfs/dbraw/zinc/48/21/18/441482118.db2.gz FMUNTLLZZUUDBC-CQSZACIVSA-N 1 2 331.420 1.900 20 30 EDEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000052861755 441482123 /nfs/dbraw/zinc/48/21/23/441482123.db2.gz FMUNTLLZZUUDBC-CQSZACIVSA-N 1 2 331.420 1.900 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000031309815 441520960 /nfs/dbraw/zinc/52/09/60/441520960.db2.gz VGMHJHXAOPBHHM-UHFFFAOYSA-N 1 2 328.338 1.525 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000076461340 441649003 /nfs/dbraw/zinc/64/90/03/441649003.db2.gz MHXITZKBDXYMDF-UHFFFAOYSA-N 1 2 347.375 1.675 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000055949373 441676631 /nfs/dbraw/zinc/67/66/31/441676631.db2.gz VEYZFROMDMYHFX-MRXNPFEDSA-N 1 2 344.459 1.826 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+]C(C)(C)c2nccs2)CC1 ZINC000091621309 441719599 /nfs/dbraw/zinc/71/95/99/441719599.db2.gz GGWLOHLCLFZERI-CQSZACIVSA-N 1 2 349.504 1.660 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000158302531 441720620 /nfs/dbraw/zinc/72/06/20/441720620.db2.gz DZHZKNGRNSALFA-ZDUSSCGKSA-N 1 2 330.407 1.482 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C(=O)OCC)c(C)n2)CC1 ZINC000068444699 441800243 /nfs/dbraw/zinc/80/02/43/441800243.db2.gz SPSABVLRDXHEAQ-UHFFFAOYSA-N 1 2 329.400 1.348 20 30 EDEDLO CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccccn1 ZINC000092619096 441815266 /nfs/dbraw/zinc/81/52/66/441815266.db2.gz KCLLDKWUTTVABO-GOSISDBHSA-N 1 2 343.475 1.596 20 30 EDEDLO CC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccccn1 ZINC000092619096 441815272 /nfs/dbraw/zinc/81/52/72/441815272.db2.gz KCLLDKWUTTVABO-GOSISDBHSA-N 1 2 343.475 1.596 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000122667284 441858698 /nfs/dbraw/zinc/85/86/98/441858698.db2.gz MMDNVWUCOHLGKD-HNNXBMFYSA-N 1 2 335.429 1.044 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000141563962 441853788 /nfs/dbraw/zinc/85/37/88/441853788.db2.gz QWOVBOPOOMWCRO-UHFFFAOYSA-N 1 2 340.383 1.813 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000120125515 442013020 /nfs/dbraw/zinc/01/30/20/442013020.db2.gz AMGMBZUGBXCKTD-AWEZNQCLSA-N 1 2 334.386 1.611 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000120125515 442013028 /nfs/dbraw/zinc/01/30/28/442013028.db2.gz AMGMBZUGBXCKTD-AWEZNQCLSA-N 1 2 334.386 1.611 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000151314497 442041037 /nfs/dbraw/zinc/04/10/37/442041037.db2.gz VNCTWKBXBODVRN-AWEZNQCLSA-N 1 2 331.416 1.553 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175922006 442146667 /nfs/dbraw/zinc/14/66/67/442146667.db2.gz FMOHHOMTXUAIRZ-GDBMZVCRSA-N 1 2 341.415 1.031 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175922006 442146668 /nfs/dbraw/zinc/14/66/68/442146668.db2.gz FMOHHOMTXUAIRZ-GDBMZVCRSA-N 1 2 341.415 1.031 20 30 EDEDLO CC(C)c1noc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000162504047 442098667 /nfs/dbraw/zinc/09/86/67/442098667.db2.gz CBILIDZVEQUKRB-UHFFFAOYSA-N 1 2 349.435 1.200 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)N2CCCCC2)c1 ZINC000128242731 442254864 /nfs/dbraw/zinc/25/48/64/442254864.db2.gz OAFSLFRCBLZDDO-OAHLLOKOSA-N 1 2 327.428 1.939 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)N2CCCCC2)c1 ZINC000128242731 442254867 /nfs/dbraw/zinc/25/48/67/442254867.db2.gz OAFSLFRCBLZDDO-OAHLLOKOSA-N 1 2 327.428 1.939 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC000121407910 442213329 /nfs/dbraw/zinc/21/33/29/442213329.db2.gz YWAODGOGYJNWLS-KRWDZBQOSA-N 1 2 341.455 1.382 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC000121407910 442213332 /nfs/dbraw/zinc/21/33/32/442213332.db2.gz YWAODGOGYJNWLS-KRWDZBQOSA-N 1 2 341.455 1.382 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000170892164 442284479 /nfs/dbraw/zinc/28/44/79/442284479.db2.gz AIZVPQHFMAJMJE-OAHLLOKOSA-N 1 2 328.416 1.282 20 30 EDEDLO N#Cc1ccccc1-c1ccccc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178721895 442463932 /nfs/dbraw/zinc/46/39/32/442463932.db2.gz XFJBBFCSTAMQCJ-QGZVFWFLSA-N 1 2 346.434 1.955 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178777212 442481443 /nfs/dbraw/zinc/48/14/43/442481443.db2.gz CAPZTJLIDWHVDT-MRXNPFEDSA-N 1 2 346.450 1.951 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(C#N)c(O)c2)C[C@H](C)O1 ZINC000188370254 442744171 /nfs/dbraw/zinc/74/41/71/442744171.db2.gz SKGJBWZMDNXHOW-VBQJREDUSA-N 1 2 343.427 1.978 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc(C#N)c(O)c2)C[C@H](C)O1 ZINC000188370254 442744174 /nfs/dbraw/zinc/74/41/74/442744174.db2.gz SKGJBWZMDNXHOW-VBQJREDUSA-N 1 2 343.427 1.978 20 30 EDEDLO N#CCCCS(=O)(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000181722252 442712307 /nfs/dbraw/zinc/71/23/07/442712307.db2.gz KEFLAVUWBANZEQ-UHFFFAOYSA-N 1 2 332.429 1.849 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000182787806 442825620 /nfs/dbraw/zinc/82/56/20/442825620.db2.gz LUSUVWKKABFWOV-UONOGXRCSA-N 1 2 339.461 1.358 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000186916200 318552810 /nfs/dbraw/zinc/55/28/10/318552810.db2.gz SZYCGVPHYSENRO-UHFFFAOYSA-N 1 2 327.363 1.322 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000192574317 318578349 /nfs/dbraw/zinc/57/83/49/318578349.db2.gz XDPRLJXAEOKOFC-HOTGVXAUSA-N 1 2 349.456 1.168 20 30 EDEDLO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@H](O)C(F)(F)F ZINC000189517307 442972002 /nfs/dbraw/zinc/97/20/02/442972002.db2.gz NJCXUTWTLJBKHT-LBPRGKRZSA-N 1 2 335.370 1.916 20 30 EDEDLO CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@H](O)C(F)(F)F ZINC000189517307 442972007 /nfs/dbraw/zinc/97/20/07/442972007.db2.gz NJCXUTWTLJBKHT-LBPRGKRZSA-N 1 2 335.370 1.916 20 30 EDEDLO Cc1cc(CN2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)on1 ZINC000268610307 443052077 /nfs/dbraw/zinc/05/20/77/443052077.db2.gz KRDCWRPMHACNGY-SFHVURJKSA-N 1 2 326.400 1.706 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245413518 443225179 /nfs/dbraw/zinc/22/51/79/443225179.db2.gz BOOHAPHHJYCYJR-FMKPAKJESA-N 1 2 343.493 1.328 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245413518 443225184 /nfs/dbraw/zinc/22/51/84/443225184.db2.gz BOOHAPHHJYCYJR-FMKPAKJESA-N 1 2 343.493 1.328 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000263704088 443236019 /nfs/dbraw/zinc/23/60/19/443236019.db2.gz SAOXMXYANUZRMR-UHFFFAOYSA-N 1 2 348.255 1.718 20 30 EDEDLO N#Cc1cc(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)ccn1 ZINC000610994477 450400995 /nfs/dbraw/zinc/40/09/95/450400995.db2.gz ZZZVOSVEVQPDKE-QGZVFWFLSA-N 1 2 328.416 1.557 20 30 EDEDLO N#Cc1cc(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)ccn1 ZINC000610994477 450400998 /nfs/dbraw/zinc/40/09/98/450400998.db2.gz ZZZVOSVEVQPDKE-QGZVFWFLSA-N 1 2 328.416 1.557 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)CCN1c1nccn2cnnc12 ZINC000610995173 450401007 /nfs/dbraw/zinc/40/10/07/450401007.db2.gz RGPHIUFASNPHFG-CYBMUJFWSA-N 1 2 334.387 1.102 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCN1c1nccn2cnnc12 ZINC000610995173 450401012 /nfs/dbraw/zinc/40/10/12/450401012.db2.gz RGPHIUFASNPHFG-CYBMUJFWSA-N 1 2 334.387 1.102 20 30 EDEDLO CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000282740426 443421359 /nfs/dbraw/zinc/42/13/59/443421359.db2.gz DMRONEOKFOTTHY-OAHLLOKOSA-N 1 2 325.372 1.525 20 30 EDEDLO CNC(=O)[C@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000272774942 443440872 /nfs/dbraw/zinc/44/08/72/443440872.db2.gz UGWSGJCTKJMEHT-QGZVFWFLSA-N 1 2 347.415 1.325 20 30 EDEDLO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CCO1 ZINC000272774942 443440876 /nfs/dbraw/zinc/44/08/76/443440876.db2.gz UGWSGJCTKJMEHT-QGZVFWFLSA-N 1 2 347.415 1.325 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)NC2(c3cccc(C#N)c3)CC2)CCO1 ZINC000269710069 443406041 /nfs/dbraw/zinc/40/60/41/443406041.db2.gz RCOMWPQDUAJXBK-UHFFFAOYSA-N 1 2 342.443 1.957 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)NC2(c3cccc(C#N)c3)CC2)CCO1 ZINC000269710069 443406046 /nfs/dbraw/zinc/40/60/46/443406046.db2.gz RCOMWPQDUAJXBK-UHFFFAOYSA-N 1 2 342.443 1.957 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000279068164 443507774 /nfs/dbraw/zinc/50/77/74/443507774.db2.gz DXHQDSGRWQFXEO-OAHLLOKOSA-N 1 2 345.443 1.895 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000279068164 443507776 /nfs/dbraw/zinc/50/77/76/443507776.db2.gz DXHQDSGRWQFXEO-OAHLLOKOSA-N 1 2 345.443 1.895 20 30 EDEDLO C=CCNC(=O)CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000272098011 443526027 /nfs/dbraw/zinc/52/60/27/443526027.db2.gz WPCNBWBGXRCMDT-UHFFFAOYSA-N 1 2 331.420 1.173 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000283005164 443493836 /nfs/dbraw/zinc/49/38/36/443493836.db2.gz ZGVNALYZCLITKQ-CYBMUJFWSA-N 1 2 337.449 1.108 20 30 EDEDLO COC(C[N@H+](CCCO)CC(=O)N(CCC#N)c1ccccc1)OC ZINC000273575505 443580374 /nfs/dbraw/zinc/58/03/74/443580374.db2.gz GSCWWUSKZNOZOJ-UHFFFAOYSA-N 1 2 349.431 1.237 20 30 EDEDLO COC(C[N@@H+](CCCO)CC(=O)N(CCC#N)c1ccccc1)OC ZINC000273575505 443580376 /nfs/dbraw/zinc/58/03/76/443580376.db2.gz GSCWWUSKZNOZOJ-UHFFFAOYSA-N 1 2 349.431 1.237 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273589231 443582333 /nfs/dbraw/zinc/58/23/33/443582333.db2.gz FZAXJUSKHOAQDT-CQSZACIVSA-N 1 2 335.427 1.551 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000279783214 443627867 /nfs/dbraw/zinc/62/78/67/443627867.db2.gz UPKZGXIFLYXXJK-OAHLLOKOSA-N 1 2 344.459 1.928 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000279783214 443627870 /nfs/dbraw/zinc/62/78/70/443627870.db2.gz UPKZGXIFLYXXJK-OAHLLOKOSA-N 1 2 344.459 1.928 20 30 EDEDLO Cc1nc2cc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)ccc2o1 ZINC000279474378 443594719 /nfs/dbraw/zinc/59/47/19/443594719.db2.gz HTKAOIFWWGHKMD-UHFFFAOYSA-N 1 2 342.399 1.824 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000274753300 443611062 /nfs/dbraw/zinc/61/10/62/443611062.db2.gz VUOQANXRIJYHOL-UHFFFAOYSA-N 1 2 333.457 1.784 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C2(C#N)CCCC2)C1 ZINC000275839148 443644389 /nfs/dbraw/zinc/64/43/89/443644389.db2.gz XMFAGACQPMBSCT-CYBMUJFWSA-N 1 2 328.420 1.175 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C2(C#N)CCCC2)C1 ZINC000275839148 443644391 /nfs/dbraw/zinc/64/43/91/443644391.db2.gz XMFAGACQPMBSCT-CYBMUJFWSA-N 1 2 328.420 1.175 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NCc2ccc(C#N)cc2)C1 ZINC000276371935 443691690 /nfs/dbraw/zinc/69/16/90/443691690.db2.gz IUFVWIMKEGTFAR-GOSISDBHSA-N 1 2 342.443 1.810 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NCc2ccc(C#N)cc2)C1 ZINC000276371935 443691692 /nfs/dbraw/zinc/69/16/92/443691692.db2.gz IUFVWIMKEGTFAR-GOSISDBHSA-N 1 2 342.443 1.810 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCOCC(F)F)CC2)cc1 ZINC000276521712 443732766 /nfs/dbraw/zinc/73/27/66/443732766.db2.gz AZJLKMRQZVIJGZ-UHFFFAOYSA-N 1 2 337.370 1.874 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000298288711 443738579 /nfs/dbraw/zinc/73/85/79/443738579.db2.gz DFXPKDGCIBAOQN-AWEZNQCLSA-N 1 2 331.391 1.112 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000298288711 443738583 /nfs/dbraw/zinc/73/85/83/443738583.db2.gz DFXPKDGCIBAOQN-AWEZNQCLSA-N 1 2 331.391 1.112 20 30 EDEDLO C#CCCCCNC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000280780702 443744680 /nfs/dbraw/zinc/74/46/80/443744680.db2.gz DXTWEZYRYXCAEF-HOTGVXAUSA-N 1 2 349.454 1.777 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)C ZINC000292420209 443794507 /nfs/dbraw/zinc/79/45/07/443794507.db2.gz MTCQKTUMIYNSQQ-QZTJIDSGSA-N 1 2 329.444 1.844 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)C ZINC000292420209 443794514 /nfs/dbraw/zinc/79/45/14/443794514.db2.gz MTCQKTUMIYNSQQ-QZTJIDSGSA-N 1 2 329.444 1.844 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(NC(C)C)nc(NCCO)[nH+]1 ZINC000287572487 443747722 /nfs/dbraw/zinc/74/77/22/443747722.db2.gz DEVPVHAYSSIIJV-OLZOCXBDSA-N 1 2 336.440 1.489 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(NCCO)nc(NC(C)C)[nH+]1 ZINC000287572487 443747729 /nfs/dbraw/zinc/74/77/29/443747729.db2.gz DEVPVHAYSSIIJV-OLZOCXBDSA-N 1 2 336.440 1.489 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000287572487 443747732 /nfs/dbraw/zinc/74/77/32/443747732.db2.gz DEVPVHAYSSIIJV-OLZOCXBDSA-N 1 2 336.440 1.489 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)[nH]1 ZINC000280814472 443748956 /nfs/dbraw/zinc/74/89/56/443748956.db2.gz UOIAYPNGLVVWDH-MSOLQXFVSA-N 1 2 336.395 1.612 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)[nH]1 ZINC000280814472 443748961 /nfs/dbraw/zinc/74/89/61/443748961.db2.gz UOIAYPNGLVVWDH-MSOLQXFVSA-N 1 2 336.395 1.612 20 30 EDEDLO CS(=O)(=O)c1ccc(OCCCO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284072592 443762867 /nfs/dbraw/zinc/76/28/67/443762867.db2.gz KCECBQDGLNWFSI-AWEZNQCLSA-N 1 2 342.417 1.327 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285008709 443819333 /nfs/dbraw/zinc/81/93/33/443819333.db2.gz ZKCWMKSTMCDMRI-HZPDHXFCSA-N 1 2 347.390 1.775 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285008709 443819335 /nfs/dbraw/zinc/81/93/35/443819335.db2.gz ZKCWMKSTMCDMRI-HZPDHXFCSA-N 1 2 347.390 1.775 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC(C)=C(Br)C1 ZINC000281080753 443812664 /nfs/dbraw/zinc/81/26/64/443812664.db2.gz LJDQCQSIYJORRS-JTQLQIEISA-N 1 2 330.226 1.761 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC(C)=C(Br)C1 ZINC000281080753 443812666 /nfs/dbraw/zinc/81/26/66/443812666.db2.gz LJDQCQSIYJORRS-JTQLQIEISA-N 1 2 330.226 1.761 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCOc2cccc(F)c2)C1=O ZINC000281265923 443863796 /nfs/dbraw/zinc/86/37/96/443863796.db2.gz HRVLFSSFIQSTPC-MRXNPFEDSA-N 1 2 349.406 1.039 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCOc2cccc(F)c2)C1=O ZINC000281265923 443863799 /nfs/dbraw/zinc/86/37/99/443863799.db2.gz HRVLFSSFIQSTPC-MRXNPFEDSA-N 1 2 349.406 1.039 20 30 EDEDLO CCOC(=O)[C@H]1CSCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000535782926 320718936 /nfs/dbraw/zinc/71/89/36/320718936.db2.gz QAJSCDJDKBARHB-CQSZACIVSA-N 1 2 330.413 1.686 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)C1=O ZINC000281294490 443871765 /nfs/dbraw/zinc/87/17/65/443871765.db2.gz JKJKGXUPKIUYHV-OAHLLOKOSA-N 1 2 332.448 1.390 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)C1=O ZINC000281294490 443871770 /nfs/dbraw/zinc/87/17/70/443871770.db2.gz JKJKGXUPKIUYHV-OAHLLOKOSA-N 1 2 332.448 1.390 20 30 EDEDLO CC(C)[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nncn1C ZINC000285492471 444004892 /nfs/dbraw/zinc/00/48/92/444004892.db2.gz WYWGXWXHKLCANG-MRXNPFEDSA-N 1 2 326.404 1.290 20 30 EDEDLO CCOC1CC(CNc2cc(C)nc(C#N)c2)([NH+]2CCOCC2)C1 ZINC000553561844 320943239 /nfs/dbraw/zinc/94/32/39/320943239.db2.gz OYSMNWKIFMTICG-UHFFFAOYSA-N 1 2 330.432 1.944 20 30 EDEDLO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)ccc1C#N ZINC000277967848 444071099 /nfs/dbraw/zinc/07/10/99/444071099.db2.gz LFXXJORRJNQPIP-ZDUSSCGKSA-N 1 2 337.445 1.113 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000289186185 444072112 /nfs/dbraw/zinc/07/21/12/444072112.db2.gz LCTJKNADQPGMEX-HOCLYGCPSA-N 1 2 342.399 1.048 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000282052131 444072902 /nfs/dbraw/zinc/07/29/02/444072902.db2.gz ROYFOMZNRLXOJQ-MRXNPFEDSA-N 1 2 330.388 1.504 20 30 EDEDLO CCOC(=O)CO/N=C(/C(=O)Nc1cc[nH+]cc1C)c1cc[nH]n1 ZINC000277887011 444059215 /nfs/dbraw/zinc/05/92/15/444059215.db2.gz DDUNWAWBRISIIH-XSFVSMFZSA-N 1 2 331.332 1.036 20 30 EDEDLO CCOC(=O)CON=C(C(=O)Nc1cc[nH+]cc1C)c1ccn[nH]1 ZINC000277887011 444059219 /nfs/dbraw/zinc/05/92/19/444059219.db2.gz DDUNWAWBRISIIH-XSFVSMFZSA-N 1 2 331.332 1.036 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C)CC1 ZINC000282123334 444092041 /nfs/dbraw/zinc/09/20/41/444092041.db2.gz DTOXQYCIVOQATD-INIZCTEOSA-N 1 2 339.399 1.083 20 30 EDEDLO C#CCO[C@H](C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000294577940 444124094 /nfs/dbraw/zinc/12/40/94/444124094.db2.gz BJKJWJOMJZHHCA-MRXNPFEDSA-N 1 2 346.427 1.052 20 30 EDEDLO COc1cc(C[NH2+]Cc2cn([C@@H]3COC[C@H]3OC)nn2)ccc1C#N ZINC000289945992 444222700 /nfs/dbraw/zinc/22/27/00/444222700.db2.gz XDCOEGRYPWIIGN-NVXWUHKLSA-N 1 2 343.387 1.034 20 30 EDEDLO Cn1cc(C[NH+]2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1C#N ZINC000289879229 444214735 /nfs/dbraw/zinc/21/47/35/444214735.db2.gz RWLKOAOZJPPRRI-GOSISDBHSA-N 1 2 337.427 1.241 20 30 EDEDLO CCn1nc(C)c(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000295497160 444186752 /nfs/dbraw/zinc/18/67/52/444186752.db2.gz TVFUIYMNGPVYPF-INIZCTEOSA-N 1 2 338.415 1.763 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)NCc2[nH+]ccn2CC)cc1 ZINC000295806359 444193362 /nfs/dbraw/zinc/19/33/62/444193362.db2.gz SIPWKUBWTWVHGU-UHFFFAOYSA-N 1 2 348.428 1.297 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000295875787 444194063 /nfs/dbraw/zinc/19/40/63/444194063.db2.gz PFMWSPUKPFLFJM-MRXNPFEDSA-N 1 2 332.444 1.783 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289783623 444203240 /nfs/dbraw/zinc/20/32/40/444203240.db2.gz HHEUJVPOAPVWFU-CQSZACIVSA-N 1 2 334.811 1.439 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289783623 444203242 /nfs/dbraw/zinc/20/32/42/444203242.db2.gz HHEUJVPOAPVWFU-CQSZACIVSA-N 1 2 334.811 1.439 20 30 EDEDLO CC(C)CO[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290259796 444259949 /nfs/dbraw/zinc/25/99/49/444259949.db2.gz KNYYYNVLOGGXRC-HNNXBMFYSA-N 1 2 337.445 1.474 20 30 EDEDLO CC(C)CO[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290259796 444259950 /nfs/dbraw/zinc/25/99/50/444259950.db2.gz KNYYYNVLOGGXRC-HNNXBMFYSA-N 1 2 337.445 1.474 20 30 EDEDLO C=C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000290046722 444234754 /nfs/dbraw/zinc/23/47/54/444234754.db2.gz LZVZUWOYCATXKJ-GFCCVEGCSA-N 1 2 342.399 1.364 20 30 EDEDLO C=C[C@](C)(O)CC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000290712060 444313787 /nfs/dbraw/zinc/31/37/87/444313787.db2.gz KJGOJDKGEPFTDN-IBGZPJMESA-N 1 2 345.443 1.616 20 30 EDEDLO Cn1ncc2c1nc(N1CCC(Oc3cccc(C#N)c3)CC1)[nH+]c2N ZINC000290614289 444301604 /nfs/dbraw/zinc/30/16/04/444301604.db2.gz KPMLVRLEKSZYIC-UHFFFAOYSA-N 1 2 349.398 1.865 20 30 EDEDLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](O)C1)C1CCCCC1 ZINC000328787270 444353157 /nfs/dbraw/zinc/35/31/57/444353157.db2.gz OWCFVPQKZHLNEB-LSDHHAIUSA-N 1 2 334.420 1.451 20 30 EDEDLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](O)C1)C1CCCCC1 ZINC000328787270 444353159 /nfs/dbraw/zinc/35/31/59/444353159.db2.gz OWCFVPQKZHLNEB-LSDHHAIUSA-N 1 2 334.420 1.451 20 30 EDEDLO N#CCc1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000340037541 444355736 /nfs/dbraw/zinc/35/57/36/444355736.db2.gz NECSIESJEHECOO-UHFFFAOYSA-N 1 2 336.395 1.914 20 30 EDEDLO N#CCCCCNC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000340091101 444360477 /nfs/dbraw/zinc/36/04/77/444360477.db2.gz KKIDWBPTISVBCR-UHFFFAOYSA-N 1 2 329.404 1.108 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000331041642 444370408 /nfs/dbraw/zinc/37/04/08/444370408.db2.gz CUTYHHOYZYKINA-UHFFFAOYSA-N 1 2 343.493 1.491 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000331041642 444370410 /nfs/dbraw/zinc/37/04/10/444370410.db2.gz CUTYHHOYZYKINA-UHFFFAOYSA-N 1 2 343.493 1.491 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000328632749 444404847 /nfs/dbraw/zinc/40/48/47/444404847.db2.gz SCIMMFNAKBUJIY-CQSZACIVSA-N 1 2 330.413 1.604 20 30 EDEDLO CSC1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CCOCC1 ZINC000328877847 444385483 /nfs/dbraw/zinc/38/54/83/444385483.db2.gz KSJRCKWYNRJPDL-KBPBESRZSA-N 1 2 343.493 1.218 20 30 EDEDLO CSC1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCOCC1 ZINC000328877847 444385486 /nfs/dbraw/zinc/38/54/86/444385486.db2.gz KSJRCKWYNRJPDL-KBPBESRZSA-N 1 2 343.493 1.218 20 30 EDEDLO C[C@H](C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)[NH+]1CCN(C)CC1 ZINC000328758190 444451062 /nfs/dbraw/zinc/45/10/62/444451062.db2.gz VNGUWPCIJFXPAC-ZBFHGGJFSA-N 1 2 336.480 1.227 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329036897 444453682 /nfs/dbraw/zinc/45/36/82/444453682.db2.gz NCORABLPHYHORZ-IOSXPMGOSA-N 1 2 346.475 1.612 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329036897 444453684 /nfs/dbraw/zinc/45/36/84/444453684.db2.gz NCORABLPHYHORZ-IOSXPMGOSA-N 1 2 346.475 1.612 20 30 EDEDLO Cn1ncc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1C(F)(F)F ZINC000329046616 444456795 /nfs/dbraw/zinc/45/67/95/444456795.db2.gz QBYHTQOUCGTEJT-GHMZBOCLSA-N 1 2 347.341 1.389 20 30 EDEDLO Cn1ncc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1C(F)(F)F ZINC000329046616 444456798 /nfs/dbraw/zinc/45/67/98/444456798.db2.gz QBYHTQOUCGTEJT-GHMZBOCLSA-N 1 2 347.341 1.389 20 30 EDEDLO C[C@@H]1C[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000329101128 444472421 /nfs/dbraw/zinc/47/24/21/444472421.db2.gz DYJCLSNJPCOZJH-OAGGEKHMSA-N 1 2 325.453 1.512 20 30 EDEDLO Cc1noc([C@@H]2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C2)n1 ZINC000328976269 444431613 /nfs/dbraw/zinc/43/16/13/444431613.db2.gz QEHJOOGZVNUOBS-CYBMUJFWSA-N 1 2 337.424 1.192 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c(C#N)c1C ZINC000331176803 444432211 /nfs/dbraw/zinc/43/22/11/444432211.db2.gz PUWWTMAYVHGYHD-BXUZGUMPSA-N 1 2 337.445 1.647 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c(C#N)c1C ZINC000331176803 444432213 /nfs/dbraw/zinc/43/22/13/444432213.db2.gz PUWWTMAYVHGYHD-BXUZGUMPSA-N 1 2 337.445 1.647 20 30 EDEDLO CC(C)(C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000328704220 444435876 /nfs/dbraw/zinc/43/58/76/444435876.db2.gz YDSTULRVBPVSLP-CQSZACIVSA-N 1 2 337.464 1.987 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000337850324 444436153 /nfs/dbraw/zinc/43/61/53/444436153.db2.gz REEOVIQHWGQRGL-DAYGRLMNSA-N 1 2 336.480 1.810 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000337850324 444436155 /nfs/dbraw/zinc/43/61/55/444436155.db2.gz REEOVIQHWGQRGL-DAYGRLMNSA-N 1 2 336.480 1.810 20 30 EDEDLO CC(C)N1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000328734633 444444303 /nfs/dbraw/zinc/44/43/03/444444303.db2.gz KGTKMKQPIRGZSE-INIZCTEOSA-N 1 2 345.447 1.123 20 30 EDEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329134305 444480623 /nfs/dbraw/zinc/48/06/23/444480623.db2.gz ZODBSLLWNIARSN-JJRVBVJISA-N 1 2 334.420 1.841 20 30 EDEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1cnccn1 ZINC000340696873 444482519 /nfs/dbraw/zinc/48/25/19/444482519.db2.gz XWSOLWJDCZSGBD-ZDUSSCGKSA-N 1 2 346.460 1.734 20 30 EDEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1cnccn1 ZINC000340696873 444482522 /nfs/dbraw/zinc/48/25/22/444482522.db2.gz XWSOLWJDCZSGBD-ZDUSSCGKSA-N 1 2 346.460 1.734 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3cccc4cc[nH]c43)C[C@@H]21 ZINC000329160253 444487937 /nfs/dbraw/zinc/48/79/37/444487937.db2.gz DRUZVPCRTWMIJO-JKSUJKDBSA-N 1 2 328.416 1.987 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3cccc4cc[nH]c43)C[C@@H]21 ZINC000329160253 444487940 /nfs/dbraw/zinc/48/79/40/444487940.db2.gz DRUZVPCRTWMIJO-JKSUJKDBSA-N 1 2 328.416 1.987 20 30 EDEDLO CC(C)[C@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCCS1(=O)=O ZINC000329168909 444490338 /nfs/dbraw/zinc/49/03/38/444490338.db2.gz JILLSJNYNIUZPW-SMDDNHRTSA-N 1 2 340.449 1.284 20 30 EDEDLO CC(C)[C@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCCS1(=O)=O ZINC000329168909 444490342 /nfs/dbraw/zinc/49/03/42/444490342.db2.gz JILLSJNYNIUZPW-SMDDNHRTSA-N 1 2 340.449 1.284 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnn2ncccc12)C1CCOCC1 ZINC000329171850 444491228 /nfs/dbraw/zinc/49/12/28/444491228.db2.gz KGCAAGHJBVGEGM-HNNXBMFYSA-N 1 2 340.387 1.935 20 30 EDEDLO N#Cc1cnc2c(Cl)cccc2c1NCCC[N@@H+]1CCNC(=O)C1 ZINC000581426095 322175634 /nfs/dbraw/zinc/17/56/34/322175634.db2.gz FVCFIXQUGIEJMY-UHFFFAOYSA-N 1 2 343.818 1.994 20 30 EDEDLO N#Cc1cnc2c(Cl)cccc2c1NCCC[N@H+]1CCNC(=O)C1 ZINC000581426095 322175636 /nfs/dbraw/zinc/17/56/36/322175636.db2.gz FVCFIXQUGIEJMY-UHFFFAOYSA-N 1 2 343.818 1.994 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc2c1OCO2 ZINC000329247794 444512099 /nfs/dbraw/zinc/51/20/99/444512099.db2.gz SDAIHEVTDSNAGI-QWHCGFSZSA-N 1 2 333.388 1.756 20 30 EDEDLO Cc1ccn2cc(CNC(=O)N3CCOC[C@@H]3[C@@H]3CCCO3)[nH+]c2c1 ZINC000329247632 444512418 /nfs/dbraw/zinc/51/24/18/444512418.db2.gz WFENNLNYKUVVQO-CVEARBPZSA-N 1 2 344.415 1.937 20 30 EDEDLO C[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332381816 444512850 /nfs/dbraw/zinc/51/28/50/444512850.db2.gz VFVPVZPLXZAMRZ-LSDHHAIUSA-N 1 2 334.464 1.518 20 30 EDEDLO C[C@H](C(=O)Nc1n[nH]c(C2CC2)c1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000329286435 444521283 /nfs/dbraw/zinc/52/12/83/444521283.db2.gz GUSSTSVFKDSIMY-GFCCVEGCSA-N 1 2 335.411 2.544 20 30 EDEDLO C[C@H](C(=O)Nc1n[nH]c(C2CC2)c1C#N)[N@H+]1CCc2ccccc2C1 ZINC000329286435 444521288 /nfs/dbraw/zinc/52/12/88/444521288.db2.gz GUSSTSVFKDSIMY-GFCCVEGCSA-N 1 2 335.411 2.544 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nccc(C(F)F)n3)C[C@@H]21 ZINC000329323616 444535827 /nfs/dbraw/zinc/53/58/27/444535827.db2.gz VFKRYZUUVWQUID-NWDGAFQWSA-N 1 2 341.362 1.233 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nccc(C(F)F)n3)C[C@@H]21 ZINC000329323616 444535828 /nfs/dbraw/zinc/53/58/28/444535828.db2.gz VFKRYZUUVWQUID-NWDGAFQWSA-N 1 2 341.362 1.233 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCN3CCOC[C@@H]3C2)c(OC)c1 ZINC000329399439 444563796 /nfs/dbraw/zinc/56/37/96/444563796.db2.gz ASQPEHNSWJVELL-KBPBESRZSA-N 1 2 349.431 1.697 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCN3CCOC[C@@H]3C2)c(OC)c1 ZINC000329399439 444563801 /nfs/dbraw/zinc/56/38/01/444563801.db2.gz ASQPEHNSWJVELL-KBPBESRZSA-N 1 2 349.431 1.697 20 30 EDEDLO O=C(N[C@@H]1CN(c2ccc(F)cc2)C1=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329350495 444544954 /nfs/dbraw/zinc/54/49/54/444544954.db2.gz WVECODWNAQHMBC-SMDDNHRTSA-N 1 2 328.347 1.957 20 30 EDEDLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)CC2(CC#N)CC2)C[C@H](C)O1 ZINC000329559877 444629545 /nfs/dbraw/zinc/62/95/45/444629545.db2.gz FRBPSXDPADCTAJ-OKILXGFUSA-N 1 2 343.493 1.487 20 30 EDEDLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)CC2(CC#N)CC2)C[C@H](C)O1 ZINC000329559877 444629550 /nfs/dbraw/zinc/62/95/50/444629550.db2.gz FRBPSXDPADCTAJ-OKILXGFUSA-N 1 2 343.493 1.487 20 30 EDEDLO CCC1(CC)CN(C([O-])=[NH+][C@H](C)Cn2cc[nH+]c2)CCS1(=O)=O ZINC000329536639 444618596 /nfs/dbraw/zinc/61/85/96/444618596.db2.gz BEQSTYUAYXUPNH-CYBMUJFWSA-N 1 2 342.465 1.475 20 30 EDEDLO CCC1(CC)CN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCS1(=O)=O ZINC000329536639 444618600 /nfs/dbraw/zinc/61/86/00/444618600.db2.gz BEQSTYUAYXUPNH-CYBMUJFWSA-N 1 2 342.465 1.475 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@H]1C ZINC000329619504 444651249 /nfs/dbraw/zinc/65/12/49/444651249.db2.gz FGLHVXWSUMTCKC-RDBSUJKOSA-N 1 2 331.482 1.282 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCCCS2(=O)=O)C[C@H]1C ZINC000329619504 444651253 /nfs/dbraw/zinc/65/12/53/444651253.db2.gz FGLHVXWSUMTCKC-RDBSUJKOSA-N 1 2 331.482 1.282 20 30 EDEDLO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329629621 444655969 /nfs/dbraw/zinc/65/59/69/444655969.db2.gz QLPHCSJAJQRIMO-UHIISALHSA-N 1 2 346.391 1.334 20 30 EDEDLO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329629621 444655974 /nfs/dbraw/zinc/65/59/74/444655974.db2.gz QLPHCSJAJQRIMO-UHIISALHSA-N 1 2 346.391 1.334 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329692549 444682291 /nfs/dbraw/zinc/68/22/91/444682291.db2.gz WPUSNYMRXATBLR-NVXWUHKLSA-N 1 2 339.480 1.902 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000333050923 444634523 /nfs/dbraw/zinc/63/45/23/444634523.db2.gz BNTHOYHVLZLIQR-ILXRZTDVSA-N 1 2 333.436 1.152 20 30 EDEDLO O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCn2cc[nH+]c2C1 ZINC000329794186 444719509 /nfs/dbraw/zinc/71/95/09/444719509.db2.gz FZGKSWHXSXIQOX-GFCCVEGCSA-N 1 2 343.362 1.557 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@H](c2nccs2)C1 ZINC000329732816 444695804 /nfs/dbraw/zinc/69/58/04/444695804.db2.gz JDDTXVRKTWRABD-MFKMUULPSA-N 1 2 333.417 1.711 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@H](c2nccs2)C1 ZINC000329732816 444695806 /nfs/dbraw/zinc/69/58/06/444695806.db2.gz JDDTXVRKTWRABD-MFKMUULPSA-N 1 2 333.417 1.711 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000329840687 444737179 /nfs/dbraw/zinc/73/71/79/444737179.db2.gz WMJUXXWXZIMEQL-RWMBFGLXSA-N 1 2 340.449 1.262 20 30 EDEDLO CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000329897791 444757698 /nfs/dbraw/zinc/75/76/98/444757698.db2.gz LPLICORORAFJKU-AVGNSLFASA-N 1 2 329.466 1.220 20 30 EDEDLO CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000329897791 444757703 /nfs/dbraw/zinc/75/77/03/444757703.db2.gz LPLICORORAFJKU-AVGNSLFASA-N 1 2 329.466 1.220 20 30 EDEDLO C[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C2CC2)O1 ZINC000329897968 444757723 /nfs/dbraw/zinc/75/77/23/444757723.db2.gz LSGWDZRUUSYPAE-ZBFHGGJFSA-N 1 2 339.480 1.553 20 30 EDEDLO CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000329897792 444757751 /nfs/dbraw/zinc/75/77/51/444757751.db2.gz LPLICORORAFJKU-RWMBFGLXSA-N 1 2 329.466 1.220 20 30 EDEDLO CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000329897792 444757754 /nfs/dbraw/zinc/75/77/54/444757754.db2.gz LPLICORORAFJKU-RWMBFGLXSA-N 1 2 329.466 1.220 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)OCC ZINC000341333194 444782899 /nfs/dbraw/zinc/78/28/99/444782899.db2.gz YLEVYYDWQKSTAX-HUUCEWRRSA-N 1 2 348.447 1.399 20 30 EDEDLO COc1ccc(OC)c(NC(=O)CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329959616 444787507 /nfs/dbraw/zinc/78/75/07/444787507.db2.gz NHWXTVDITUNZND-HOCLYGCPSA-N 1 2 335.404 1.307 20 30 EDEDLO COc1ccc(OC)c(NC(=O)CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329959616 444787513 /nfs/dbraw/zinc/78/75/13/444787513.db2.gz NHWXTVDITUNZND-HOCLYGCPSA-N 1 2 335.404 1.307 20 30 EDEDLO C[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@]2(CCCOC2)O1 ZINC000330076338 444835180 /nfs/dbraw/zinc/83/51/80/444835180.db2.gz MIWNFFBBBNTWBH-KDOFPFPSSA-N 1 2 348.447 1.903 20 30 EDEDLO Cc1nccc(NC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)n1 ZINC000330104690 444845976 /nfs/dbraw/zinc/84/59/76/444845976.db2.gz HSCRTPSDNUQQBK-LBPRGKRZSA-N 1 2 342.403 1.931 20 30 EDEDLO C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CCCc4cn[nH]c43)CC2)CCO1 ZINC000330131180 444855189 /nfs/dbraw/zinc/85/51/89/444855189.db2.gz KVLQZYKUXYZTCK-CZUORRHYSA-N 1 2 347.463 1.886 20 30 EDEDLO C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@@H]3CCCc4cn[nH]c43)CC2)CCO1 ZINC000330131180 444855192 /nfs/dbraw/zinc/85/51/92/444855192.db2.gz KVLQZYKUXYZTCK-CZUORRHYSA-N 1 2 347.463 1.886 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000336925706 444856787 /nfs/dbraw/zinc/85/67/87/444856787.db2.gz VFZNKKBWGLLZSB-UHFFFAOYSA-N 1 2 337.449 1.252 20 30 EDEDLO O=C(NC[C@H]1CCCS1(=O)=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330142014 444860445 /nfs/dbraw/zinc/86/04/45/444860445.db2.gz QHQSVYRYRVYXGJ-VXGBXAGGSA-N 1 2 326.422 1.080 20 30 EDEDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000344294704 444885274 /nfs/dbraw/zinc/88/52/74/444885274.db2.gz UBGAWWGNXWRHOY-CQSZACIVSA-N 1 2 325.416 1.755 20 30 EDEDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000344294704 444885277 /nfs/dbraw/zinc/88/52/77/444885277.db2.gz UBGAWWGNXWRHOY-CQSZACIVSA-N 1 2 325.416 1.755 20 30 EDEDLO C=C(C)Cn1c([C@@H]2OCC[C@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000338846853 444886176 /nfs/dbraw/zinc/88/61/76/444886176.db2.gz IDHNAWMHGWTKQX-HZPDHXFCSA-N 1 2 349.479 1.720 20 30 EDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 ZINC000337015105 444901453 /nfs/dbraw/zinc/90/14/53/444901453.db2.gz KOOHDNCPYSUBQB-KGLIPLIRSA-N 1 2 339.403 1.011 20 30 EDEDLO CCn1nc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1C1CC1 ZINC000330268238 444915126 /nfs/dbraw/zinc/91/51/26/444915126.db2.gz INOUANKCTFAODW-UHFFFAOYSA-N 1 2 335.452 2.217 20 30 EDEDLO CCn1nc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1C1CC1 ZINC000330268238 444915132 /nfs/dbraw/zinc/91/51/32/444915132.db2.gz INOUANKCTFAODW-UHFFFAOYSA-N 1 2 335.452 2.217 20 30 EDEDLO Cc1cc(C)n([C@@H](C)CC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000343040890 445023619 /nfs/dbraw/zinc/02/36/19/445023619.db2.gz UZKJPQYTBFVCTK-KRWDZBQOSA-N 1 2 347.463 1.526 20 30 EDEDLO CC[NH+]=C([O-])Nc1ccc(C)c(NC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)c1 ZINC000330558456 445034349 /nfs/dbraw/zinc/03/43/49/445034349.db2.gz ILNJKHRFBFYMDI-ZFWWWQNUSA-N 1 2 334.420 1.998 20 30 EDEDLO CC[NH+]=C([O-])Nc1ccc(C)c(NC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)c1 ZINC000330558456 445034351 /nfs/dbraw/zinc/03/43/51/445034351.db2.gz ILNJKHRFBFYMDI-ZFWWWQNUSA-N 1 2 334.420 1.998 20 30 EDEDLO CCC(=O)N[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000330508528 445010825 /nfs/dbraw/zinc/01/08/25/445010825.db2.gz GQWAGPRNOXDTRX-AWEZNQCLSA-N 1 2 340.468 1.002 20 30 EDEDLO CCC(=O)N[C@H]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000330508528 445010831 /nfs/dbraw/zinc/01/08/31/445010831.db2.gz GQWAGPRNOXDTRX-AWEZNQCLSA-N 1 2 340.468 1.002 20 30 EDEDLO CO[C@H]1C[C@H](c2nncn2C)[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000344530977 445038407 /nfs/dbraw/zinc/03/84/07/445038407.db2.gz YOMGPDJLLDXHCY-DLBZAZTESA-N 1 2 341.415 1.918 20 30 EDEDLO CO[C@H]1C[C@H](c2nncn2C)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000344530977 445038410 /nfs/dbraw/zinc/03/84/10/445038410.db2.gz YOMGPDJLLDXHCY-DLBZAZTESA-N 1 2 341.415 1.918 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)NCCc2ccccc2OC)CC1 ZINC000341994193 445112617 /nfs/dbraw/zinc/11/26/17/445112617.db2.gz SELPGYKRBGMDRD-UHFFFAOYSA-N 1 2 345.443 1.606 20 30 EDEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)[nH]1 ZINC000330724389 445113090 /nfs/dbraw/zinc/11/30/90/445113090.db2.gz GUKLZKLTORZNPF-SUYBPPKGSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)[nH]1 ZINC000330724389 445113093 /nfs/dbraw/zinc/11/30/93/445113093.db2.gz GUKLZKLTORZNPF-SUYBPPKGSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)n1 ZINC000330724389 445113095 /nfs/dbraw/zinc/11/30/95/445113095.db2.gz GUKLZKLTORZNPF-SUYBPPKGSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)n1 ZINC000330724389 445113100 /nfs/dbraw/zinc/11/31/00/445113100.db2.gz GUKLZKLTORZNPF-SUYBPPKGSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)n[nH]1 ZINC000330724389 445113104 /nfs/dbraw/zinc/11/31/04/445113104.db2.gz GUKLZKLTORZNPF-SUYBPPKGSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)n[nH]1 ZINC000330724389 445113109 /nfs/dbraw/zinc/11/31/09/445113109.db2.gz GUKLZKLTORZNPF-SUYBPPKGSA-N 1 2 332.452 1.736 20 30 EDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000339751166 445166391 /nfs/dbraw/zinc/16/63/91/445166391.db2.gz CCHMPKGFVNVZMJ-HNNXBMFYSA-N 1 2 340.427 1.767 20 30 EDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000339751166 445166393 /nfs/dbraw/zinc/16/63/93/445166393.db2.gz CCHMPKGFVNVZMJ-HNNXBMFYSA-N 1 2 340.427 1.767 20 30 EDEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000330895571 445185577 /nfs/dbraw/zinc/18/55/77/445185577.db2.gz SAYULMHALAZTDK-OAHLLOKOSA-N 1 2 325.453 1.954 20 30 EDEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000330895571 445185579 /nfs/dbraw/zinc/18/55/79/445185579.db2.gz SAYULMHALAZTDK-OAHLLOKOSA-N 1 2 325.453 1.954 20 30 EDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(SCC#N)c1 ZINC000344982204 445154890 /nfs/dbraw/zinc/15/48/90/445154890.db2.gz FWICJOHJWCVHBQ-HNNXBMFYSA-N 1 2 349.456 1.067 20 30 EDEDLO CC[C@H](C#N)NC(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000346358205 445212432 /nfs/dbraw/zinc/21/24/32/445212432.db2.gz HBQQPEQTUFBCBP-FFSVYQOJSA-N 1 2 329.404 1.281 20 30 EDEDLO C=C(C)CN(C)C(=O)N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000346831068 445225981 /nfs/dbraw/zinc/22/59/81/445225981.db2.gz LZDZOEZJCJBWHS-WMLDXEAASA-N 1 2 345.447 1.832 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000347537682 445242220 /nfs/dbraw/zinc/24/22/20/445242220.db2.gz RCFBGHXEBRSYRB-AEFFLSMTSA-N 1 2 329.444 1.938 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000347537682 445242221 /nfs/dbraw/zinc/24/22/21/445242221.db2.gz RCFBGHXEBRSYRB-AEFFLSMTSA-N 1 2 329.444 1.938 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[S@](=O)CC1(C)C ZINC000348214566 445317980 /nfs/dbraw/zinc/31/79/80/445317980.db2.gz YPWBLAQUCBQMKS-MWTRTKDXSA-N 1 2 337.485 1.998 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348214566 445317983 /nfs/dbraw/zinc/31/79/83/445317983.db2.gz YPWBLAQUCBQMKS-MWTRTKDXSA-N 1 2 337.485 1.998 20 30 EDEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC(C)(C)C#N ZINC000359653353 445358374 /nfs/dbraw/zinc/35/83/74/445358374.db2.gz OOAHWFHVALXTLB-UHFFFAOYSA-N 1 2 337.445 1.301 20 30 EDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000348747934 445361346 /nfs/dbraw/zinc/36/13/46/445361346.db2.gz KEUUVCUUCKTMIT-GOSISDBHSA-N 1 2 325.412 1.895 20 30 EDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000348747934 445361350 /nfs/dbraw/zinc/36/13/50/445361350.db2.gz KEUUVCUUCKTMIT-GOSISDBHSA-N 1 2 325.412 1.895 20 30 EDEDLO COCC1(C#N)CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000357083158 445416382 /nfs/dbraw/zinc/41/63/82/445416382.db2.gz ALBIZAUGRFTIIW-MRXNPFEDSA-N 1 2 335.448 1.409 20 30 EDEDLO COCC1(C#N)CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000357083158 445416386 /nfs/dbraw/zinc/41/63/86/445416386.db2.gz ALBIZAUGRFTIIW-MRXNPFEDSA-N 1 2 335.448 1.409 20 30 EDEDLO CO[C@@H]1CCC[C@@H](CC(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000355455838 445461210 /nfs/dbraw/zinc/46/12/10/445461210.db2.gz KEBQDBYTELWXGH-IAGOWNOFSA-N 1 2 337.464 1.656 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000352686334 445547859 /nfs/dbraw/zinc/54/78/59/445547859.db2.gz NGFXHEUKJRJCMA-BFHYXJOUSA-N 1 2 341.333 1.577 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000352686334 445547860 /nfs/dbraw/zinc/54/78/60/445547860.db2.gz NGFXHEUKJRJCMA-BFHYXJOUSA-N 1 2 341.333 1.577 20 30 EDEDLO C=C[C@H](CO)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000358525975 445633304 /nfs/dbraw/zinc/63/33/04/445633304.db2.gz DZZNSLSWECSPPU-SNVBAGLBSA-N 1 2 339.193 1.443 20 30 EDEDLO C=C[C@H](CO)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000358541366 445642531 /nfs/dbraw/zinc/64/25/31/445642531.db2.gz VGQPZMNNZPMEGY-IAGOWNOFSA-N 1 2 333.432 1.214 20 30 EDEDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356063118 445597650 /nfs/dbraw/zinc/59/76/50/445597650.db2.gz LVZAHCJMCZNRHU-JTQLQIEISA-N 1 2 336.442 1.855 20 30 EDEDLO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356063118 445597656 /nfs/dbraw/zinc/59/76/56/445597656.db2.gz LVZAHCJMCZNRHU-JTQLQIEISA-N 1 2 336.442 1.855 20 30 EDEDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356063120 445598059 /nfs/dbraw/zinc/59/80/59/445598059.db2.gz LVZAHCJMCZNRHU-SNVBAGLBSA-N 1 2 336.442 1.855 20 30 EDEDLO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356063120 445598062 /nfs/dbraw/zinc/59/80/62/445598062.db2.gz LVZAHCJMCZNRHU-SNVBAGLBSA-N 1 2 336.442 1.855 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000349953531 445733489 /nfs/dbraw/zinc/73/34/89/445733489.db2.gz CEMLNDLAMNQVSZ-JKSUJKDBSA-N 1 2 335.427 1.387 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000349953531 445733491 /nfs/dbraw/zinc/73/34/91/445733491.db2.gz CEMLNDLAMNQVSZ-JKSUJKDBSA-N 1 2 335.427 1.387 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356353831 445749912 /nfs/dbraw/zinc/74/99/12/445749912.db2.gz UXEPLKWYTCKHQT-QGZVFWFLSA-N 1 2 332.444 1.707 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356353831 445749917 /nfs/dbraw/zinc/74/99/17/445749917.db2.gz UXEPLKWYTCKHQT-QGZVFWFLSA-N 1 2 332.444 1.707 20 30 EDEDLO C=CCOc1ccccc1C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000363312558 445762074 /nfs/dbraw/zinc/76/20/74/445762074.db2.gz MHCXVHXGJYFRRO-UHFFFAOYSA-N 1 2 345.443 1.488 20 30 EDEDLO C=CCOc1ccccc1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000363312558 445762079 /nfs/dbraw/zinc/76/20/79/445762079.db2.gz MHCXVHXGJYFRRO-UHFFFAOYSA-N 1 2 345.443 1.488 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000361584517 445832743 /nfs/dbraw/zinc/83/27/43/445832743.db2.gz WXOHHJDTDIYQPG-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000361584517 445832745 /nfs/dbraw/zinc/83/27/45/445832745.db2.gz WXOHHJDTDIYQPG-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1cccc(NC(=O)CN2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000363511204 445838238 /nfs/dbraw/zinc/83/82/38/445838238.db2.gz IFYSFPVCFDYFEJ-SFHVURJKSA-N 1 2 342.443 1.683 20 30 EDEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000356528979 445842959 /nfs/dbraw/zinc/84/29/59/445842959.db2.gz BUNDZVAMUHVOEY-KRWDZBQOSA-N 1 2 338.411 1.992 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000364144684 445897903 /nfs/dbraw/zinc/89/79/03/445897903.db2.gz WIEFWMALSZBJCU-SFHVURJKSA-N 1 2 347.438 1.787 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000364144684 445897908 /nfs/dbraw/zinc/89/79/08/445897908.db2.gz WIEFWMALSZBJCU-SFHVURJKSA-N 1 2 347.438 1.787 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1nccnc1C#N ZINC000369091979 445925458 /nfs/dbraw/zinc/92/54/58/445925458.db2.gz LNTFTINOAAEPSH-STQMWFEESA-N 1 2 330.367 1.978 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNc1nccnc1C#N ZINC000369091979 445925464 /nfs/dbraw/zinc/92/54/64/445925464.db2.gz LNTFTINOAAEPSH-STQMWFEESA-N 1 2 330.367 1.978 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C1CC1 ZINC000356783510 446016441 /nfs/dbraw/zinc/01/64/41/446016441.db2.gz RNFFIVWNIFCVBD-CQSZACIVSA-N 1 2 341.346 1.637 20 30 EDEDLO N#CC1(F)CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000359357659 446171484 /nfs/dbraw/zinc/17/14/84/446171484.db2.gz GOEIEVZXZNIOQV-UHFFFAOYSA-N 1 2 332.379 1.382 20 30 EDEDLO CCc1nnc(C2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)[nH]1 ZINC000362071299 446193276 /nfs/dbraw/zinc/19/32/76/446193276.db2.gz ILLKQCYADLUPPO-INIZCTEOSA-N 1 2 338.415 1.645 20 30 EDEDLO CCc1n[nH]c(C2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)n1 ZINC000362071299 446193280 /nfs/dbraw/zinc/19/32/80/446193280.db2.gz ILLKQCYADLUPPO-INIZCTEOSA-N 1 2 338.415 1.645 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000362296823 446310054 /nfs/dbraw/zinc/31/00/54/446310054.db2.gz AVXOKYNUKZVCLC-OAHLLOKOSA-N 1 2 344.434 1.826 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)CCC2 ZINC000366703115 446316423 /nfs/dbraw/zinc/31/64/23/446316423.db2.gz PKLLNJBVZYKEOQ-AWEZNQCLSA-N 1 2 337.383 1.696 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](CC)Cc1cn(C)nn1 ZINC000359626779 446325724 /nfs/dbraw/zinc/32/57/24/446325724.db2.gz BPEGJMBSKZAEGK-QGZVFWFLSA-N 1 2 330.432 1.805 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](CC)Cc1cn(C)nn1 ZINC000359626779 446325726 /nfs/dbraw/zinc/32/57/26/446325726.db2.gz BPEGJMBSKZAEGK-QGZVFWFLSA-N 1 2 330.432 1.805 20 30 EDEDLO CCc1nc(C[N@H+]2C[C@H]3CN(c4nc(C)cc(C#N)n4)C[C@H]3C2)no1 ZINC000376106619 446338037 /nfs/dbraw/zinc/33/80/37/446338037.db2.gz KPIJYUJMRWFGQV-BETUJISGSA-N 1 2 339.403 1.170 20 30 EDEDLO CCc1nc(C[N@@H+]2C[C@H]3CN(c4nc(C)cc(C#N)n4)C[C@H]3C2)no1 ZINC000376106619 446338042 /nfs/dbraw/zinc/33/80/42/446338042.db2.gz KPIJYUJMRWFGQV-BETUJISGSA-N 1 2 339.403 1.170 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1=O ZINC000366849414 446381557 /nfs/dbraw/zinc/38/15/57/446381557.db2.gz QUDXOKSBLILXQF-KBPBESRZSA-N 1 2 331.420 1.189 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](n3cncn3)C2)c(C#N)c1C ZINC000376338040 446438104 /nfs/dbraw/zinc/43/81/04/446438104.db2.gz YVUXGLISYZGKHY-YPMHNXCESA-N 1 2 328.376 1.634 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](n3cncn3)C2)c(C#N)c1C ZINC000376338040 446438109 /nfs/dbraw/zinc/43/81/09/446438109.db2.gz YVUXGLISYZGKHY-YPMHNXCESA-N 1 2 328.376 1.634 20 30 EDEDLO CC(C)NC(=O)C(=O)N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411131685 446406246 /nfs/dbraw/zinc/40/62/46/446406246.db2.gz XPOZCDOKYKWNDF-UHFFFAOYSA-N 1 2 334.464 1.519 20 30 EDEDLO CCCCCCCC(=O)N1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000370767410 446425857 /nfs/dbraw/zinc/42/58/57/446425857.db2.gz NVOBHAVRAVMURP-QGZVFWFLSA-N 1 2 325.497 1.822 20 30 EDEDLO Cn1cc[nH+]c1CN1CCCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000367008611 446458789 /nfs/dbraw/zinc/45/87/89/446458789.db2.gz YXHASVRJTSUUTL-UHFFFAOYSA-N 1 2 337.427 1.834 20 30 EDEDLO COc1cc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccn1 ZINC000367117842 446510988 /nfs/dbraw/zinc/51/09/88/446510988.db2.gz UROYMWCEELVVKG-AUUYWEPGSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1cc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccn1 ZINC000367117842 446510989 /nfs/dbraw/zinc/51/09/89/446510989.db2.gz UROYMWCEELVVKG-AUUYWEPGSA-N 1 2 334.379 1.936 20 30 EDEDLO C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)C#N ZINC000433292117 446552884 /nfs/dbraw/zinc/55/28/84/446552884.db2.gz YSJGEFZFBAOZFV-UONOGXRCSA-N 1 2 331.416 1.813 20 30 EDEDLO C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)C#N ZINC000433292117 446552887 /nfs/dbraw/zinc/55/28/87/446552887.db2.gz YSJGEFZFBAOZFV-UONOGXRCSA-N 1 2 331.416 1.813 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000367824050 446594477 /nfs/dbraw/zinc/59/44/77/446594477.db2.gz QEAQYWGNRUTJPB-KBPBESRZSA-N 1 2 341.477 1.084 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000367824050 446594479 /nfs/dbraw/zinc/59/44/79/446594479.db2.gz QEAQYWGNRUTJPB-KBPBESRZSA-N 1 2 341.477 1.084 20 30 EDEDLO COCCCNC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376595386 446595859 /nfs/dbraw/zinc/59/58/59/446595859.db2.gz NBEORHXVOUCCCQ-HNNXBMFYSA-N 1 2 330.432 1.480 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000434408610 446643392 /nfs/dbraw/zinc/64/33/92/446643392.db2.gz KHRVISBNUJYJPS-HNNXBMFYSA-N 1 2 346.431 1.299 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cccc(CC#N)c2)C1 ZINC000434674500 446658441 /nfs/dbraw/zinc/65/84/41/446658441.db2.gz VLCPJIQTENKLPH-SFHVURJKSA-N 1 2 327.428 1.935 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2cccc(CC#N)c2)C1 ZINC000434674500 446658445 /nfs/dbraw/zinc/65/84/45/446658445.db2.gz VLCPJIQTENKLPH-SFHVURJKSA-N 1 2 327.428 1.935 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000371536786 446919154 /nfs/dbraw/zinc/91/91/54/446919154.db2.gz GHGJEALJXSVIEV-CABCVRRESA-N 1 2 348.399 1.598 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000371536786 446919160 /nfs/dbraw/zinc/91/91/60/446919160.db2.gz GHGJEALJXSVIEV-CABCVRRESA-N 1 2 348.399 1.598 20 30 EDEDLO N#Cc1c(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)n[nH]c1C1CC1 ZINC000377119971 446933153 /nfs/dbraw/zinc/93/31/53/446933153.db2.gz RTKZSSYRWDLLOU-ZDUSSCGKSA-N 1 2 336.399 2.409 20 30 EDEDLO C=CCC1(C(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)CCOCC1 ZINC000424791056 446939603 /nfs/dbraw/zinc/93/96/03/446939603.db2.gz LGKFXNGZUOBVDZ-OAHLLOKOSA-N 1 2 332.448 1.988 20 30 EDEDLO Cc1cc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)ccc1C#N ZINC000443902131 447066530 /nfs/dbraw/zinc/06/65/30/447066530.db2.gz BGVIRGWJNSDXDC-UHFFFAOYSA-N 1 2 326.381 1.993 20 30 EDEDLO CC(C)(CC#N)CNC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000421212478 447068617 /nfs/dbraw/zinc/06/86/17/447068617.db2.gz XXAHBLLTEMBSKY-UHFFFAOYSA-N 1 2 347.806 1.660 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000368750444 447083756 /nfs/dbraw/zinc/08/37/56/447083756.db2.gz CJKIRYIDYWCZLV-OWCBBSPXSA-N 1 2 333.432 1.601 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000368750444 447083759 /nfs/dbraw/zinc/08/37/59/447083759.db2.gz CJKIRYIDYWCZLV-OWCBBSPXSA-N 1 2 333.432 1.601 20 30 EDEDLO CCc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)no1 ZINC000377501302 447169501 /nfs/dbraw/zinc/16/95/01/447169501.db2.gz VWKLPYUMPYJBEP-CXAGYDPISA-N 1 2 333.436 1.866 20 30 EDEDLO CCc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)no1 ZINC000377501302 447169506 /nfs/dbraw/zinc/16/95/06/447169506.db2.gz VWKLPYUMPYJBEP-CXAGYDPISA-N 1 2 333.436 1.866 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCc2[nH+]c(C)cn2C1 ZINC000377504038 447171056 /nfs/dbraw/zinc/17/10/56/447171056.db2.gz UVHNVUWEHJQTNN-AWEZNQCLSA-N 1 2 340.383 1.582 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@H](C)[C@@H]2C)CC1 ZINC000446081313 447229475 /nfs/dbraw/zinc/22/94/75/447229475.db2.gz NHALFQRJIKJXOS-YYIAUSFCSA-N 1 2 336.480 1.176 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@H](C)[C@@H]2C)CC1 ZINC000446081313 447229480 /nfs/dbraw/zinc/22/94/80/447229480.db2.gz NHALFQRJIKJXOS-YYIAUSFCSA-N 1 2 336.480 1.176 20 30 EDEDLO COC(=O)c1cc2ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc2o1 ZINC000414129083 447276287 /nfs/dbraw/zinc/27/62/87/447276287.db2.gz UGJMSKKTIYHNPJ-CYBMUJFWSA-N 1 2 332.356 1.805 20 30 EDEDLO COC(=O)c1cc2ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc2o1 ZINC000414129083 447276288 /nfs/dbraw/zinc/27/62/88/447276288.db2.gz UGJMSKKTIYHNPJ-CYBMUJFWSA-N 1 2 332.356 1.805 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000456773336 447458518 /nfs/dbraw/zinc/45/85/18/447458518.db2.gz YETOKTWJHHLNRK-KRWDZBQOSA-N 1 2 340.427 2.454 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000419929433 447497133 /nfs/dbraw/zinc/49/71/33/447497133.db2.gz VPEOAZSRIAEXEP-IRXDYDNUSA-N 1 2 343.427 1.774 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000419929433 447497136 /nfs/dbraw/zinc/49/71/36/447497136.db2.gz VPEOAZSRIAEXEP-IRXDYDNUSA-N 1 2 343.427 1.774 20 30 EDEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1OC ZINC000451929276 447787581 /nfs/dbraw/zinc/78/75/81/447787581.db2.gz NKAPYDPOQKDFCQ-LLVKDONJSA-N 1 2 334.401 1.823 20 30 EDEDLO C#CCN(CCc1[nH+]c2ccccc2n1C)[C@H]1CCS(=O)(=O)C1 ZINC000490866838 447901343 /nfs/dbraw/zinc/90/13/43/447901343.db2.gz VXYFEUNBQDEEAQ-AWEZNQCLSA-N 1 2 331.441 1.238 20 30 EDEDLO CCOC(=O)c1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000570141861 447951070 /nfs/dbraw/zinc/95/10/70/447951070.db2.gz AQBSZLXABRWJEK-INIZCTEOSA-N 1 2 348.359 1.345 20 30 EDEDLO C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000496838649 447957341 /nfs/dbraw/zinc/95/73/41/447957341.db2.gz OKJHRYDMOPUUSO-CQSZACIVSA-N 1 2 332.404 1.541 20 30 EDEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000496838649 447957348 /nfs/dbraw/zinc/95/73/48/447957348.db2.gz OKJHRYDMOPUUSO-CQSZACIVSA-N 1 2 332.404 1.541 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000491209270 447957918 /nfs/dbraw/zinc/95/79/18/447957918.db2.gz DUGAYKIYWCPFBD-HNNXBMFYSA-N 1 2 335.425 1.735 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000491209270 447957919 /nfs/dbraw/zinc/95/79/19/447957919.db2.gz DUGAYKIYWCPFBD-HNNXBMFYSA-N 1 2 335.425 1.735 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000491209625 447958088 /nfs/dbraw/zinc/95/80/88/447958088.db2.gz JIXNZGBMDZXBPS-UHFFFAOYSA-N 1 2 349.438 1.011 20 30 EDEDLO N#C[C@H]1CC[C@@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000575918480 447928016 /nfs/dbraw/zinc/92/80/16/447928016.db2.gz YVQVOSHBQHUACN-RCCFBDPRSA-N 1 2 342.443 1.879 20 30 EDEDLO N#C[C@H]1CC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000575918480 447928022 /nfs/dbraw/zinc/92/80/22/447928022.db2.gz YVQVOSHBQHUACN-RCCFBDPRSA-N 1 2 342.443 1.879 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000491337631 447998095 /nfs/dbraw/zinc/99/80/95/447998095.db2.gz BNZAZHMTVSOEQW-HZPDHXFCSA-N 1 2 342.374 1.692 20 30 EDEDLO N#CCCC1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000570210541 447965114 /nfs/dbraw/zinc/96/51/14/447965114.db2.gz IMFGQQHNDKUXEZ-UHFFFAOYSA-N 1 2 325.372 1.815 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000576343249 448033465 /nfs/dbraw/zinc/03/34/65/448033465.db2.gz NQXCDESAHHFFFN-KSZLIROESA-N 1 2 330.428 1.595 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000576343249 448033470 /nfs/dbraw/zinc/03/34/70/448033470.db2.gz NQXCDESAHHFFFN-KSZLIROESA-N 1 2 330.428 1.595 20 30 EDEDLO C=CCN1C(=O)c2ccc(C(=O)N3CC(n4cc[nH+]c4)C3)cc2C1=O ZINC000531180306 448034708 /nfs/dbraw/zinc/03/47/08/448034708.db2.gz PLIJYOZKCKEGMZ-UHFFFAOYSA-N 1 2 336.351 1.362 20 30 EDEDLO C=CCn1c(C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000554640882 448047894 /nfs/dbraw/zinc/04/78/94/448047894.db2.gz YSTTVOIBBPUVTC-AWEZNQCLSA-N 1 2 346.479 1.342 20 30 EDEDLO C=CC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000497429194 448069119 /nfs/dbraw/zinc/06/91/19/448069119.db2.gz AXNCCUWOWAGTSM-SUYBPPKGSA-N 1 2 330.432 1.943 20 30 EDEDLO N#Cc1cccc(CC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000531386836 448075405 /nfs/dbraw/zinc/07/54/05/448075405.db2.gz XJABEYJDASLXAU-UHFFFAOYSA-N 1 2 336.395 1.649 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCc1cc(OC)c(OC)cc1OC)C1CC1 ZINC000491657867 448075928 /nfs/dbraw/zinc/07/59/28/448075928.db2.gz LANSYPWTGNMCRE-UHFFFAOYSA-N 1 2 332.400 1.426 20 30 EDEDLO C#CC[N@H+](CC(=O)NCc1cc(OC)c(OC)cc1OC)C1CC1 ZINC000491657867 448075931 /nfs/dbraw/zinc/07/59/31/448075931.db2.gz LANSYPWTGNMCRE-UHFFFAOYSA-N 1 2 332.400 1.426 20 30 EDEDLO C#CCN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCCC1 ZINC000491671136 448079871 /nfs/dbraw/zinc/07/98/71/448079871.db2.gz RQKZOGRLSAHKJJ-UHFFFAOYSA-N 1 2 345.447 1.625 20 30 EDEDLO Cc1noc([C@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)C2CCOCC2)n1 ZINC000526047639 448086790 /nfs/dbraw/zinc/08/67/90/448086790.db2.gz YBCHNBIHKOJECZ-BXUZGUMPSA-N 1 2 347.419 1.386 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000491748314 448101603 /nfs/dbraw/zinc/10/16/03/448101603.db2.gz DQCAXHPPMHJYHQ-INIZCTEOSA-N 1 2 348.491 1.374 20 30 EDEDLO C=CC[N@H+](Cc1cccc(C#N)c1)CN1C[C@@H](C(=O)OC)OC1=O ZINC000497051519 448157036 /nfs/dbraw/zinc/15/70/36/448157036.db2.gz CXZCIGJHGUUFPV-HNNXBMFYSA-N 1 2 329.356 1.498 20 30 EDEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)CN1C[C@@H](C(=O)OC)OC1=O ZINC000497051519 448157039 /nfs/dbraw/zinc/15/70/39/448157039.db2.gz CXZCIGJHGUUFPV-HNNXBMFYSA-N 1 2 329.356 1.498 20 30 EDEDLO COCC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H]1CCO[C@H]1C ZINC000571949363 448242923 /nfs/dbraw/zinc/24/29/23/448242923.db2.gz CZHCKQHADIIMTB-SUMWQHHRSA-N 1 2 332.400 1.971 20 30 EDEDLO COCC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H]1CCO[C@H]1C ZINC000571949363 448242930 /nfs/dbraw/zinc/24/29/30/448242930.db2.gz CZHCKQHADIIMTB-SUMWQHHRSA-N 1 2 332.400 1.971 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1nc(-c2cccs2)no1 ZINC000577273230 448252444 /nfs/dbraw/zinc/25/24/44/448252444.db2.gz ULLHNNSYUUIATF-HNNXBMFYSA-N 1 2 333.417 1.691 20 30 EDEDLO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000572305995 448341579 /nfs/dbraw/zinc/34/15/79/448341579.db2.gz JROOFWSXCWRENH-UHFFFAOYSA-N 1 2 330.348 1.542 20 30 EDEDLO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000572305995 448341587 /nfs/dbraw/zinc/34/15/87/448341587.db2.gz JROOFWSXCWRENH-UHFFFAOYSA-N 1 2 330.348 1.542 20 30 EDEDLO CC(C)NC(=O)NCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000564912262 448347506 /nfs/dbraw/zinc/34/75/06/448347506.db2.gz OEXDVKFHNBYHBO-KRWDZBQOSA-N 1 2 329.448 1.576 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000564458036 448329369 /nfs/dbraw/zinc/32/93/69/448329369.db2.gz MKFQRCKEYIVJJM-YVEFUNNKSA-N 1 2 348.834 1.653 20 30 EDEDLO CC[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000572429751 448376089 /nfs/dbraw/zinc/37/60/89/448376089.db2.gz MVRSKERANADKOF-NUJGCVRESA-N 1 2 329.400 1.355 20 30 EDEDLO CC[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000572429751 448376092 /nfs/dbraw/zinc/37/60/92/448376092.db2.gz MVRSKERANADKOF-NUJGCVRESA-N 1 2 329.400 1.355 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCN1CCCC1=O ZINC000534275664 448434815 /nfs/dbraw/zinc/43/48/15/448434815.db2.gz MIFAUOWUBZOUDT-MRXNPFEDSA-N 1 2 342.443 1.876 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCN1CCCC1=O ZINC000534275664 448434818 /nfs/dbraw/zinc/43/48/18/448434818.db2.gz MIFAUOWUBZOUDT-MRXNPFEDSA-N 1 2 342.443 1.876 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000534529785 448453331 /nfs/dbraw/zinc/45/33/31/448453331.db2.gz XORSODQRWXYVRL-OAHLLOKOSA-N 1 2 334.489 1.874 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000566429566 448467846 /nfs/dbraw/zinc/46/78/46/448467846.db2.gz WIDJEVXKIVLPRP-LBPRGKRZSA-N 1 2 338.433 1.124 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000528480588 448546609 /nfs/dbraw/zinc/54/66/09/448546609.db2.gz GBUISHGYLZNOBS-QGZVFWFLSA-N 1 2 334.379 1.846 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000528480588 448546615 /nfs/dbraw/zinc/54/66/15/448546615.db2.gz GBUISHGYLZNOBS-QGZVFWFLSA-N 1 2 334.379 1.846 20 30 EDEDLO C=CCc1ccc(OCC(=O)NCc2c[nH+]c(C)nc2N)c(OC)c1 ZINC000573366240 448609578 /nfs/dbraw/zinc/60/95/78/448609578.db2.gz JJEQQACSDRITAZ-UHFFFAOYSA-N 1 2 342.399 1.800 20 30 EDEDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000573277096 448585956 /nfs/dbraw/zinc/58/59/56/448585956.db2.gz HSQDNSAHPZKGTB-KRWDZBQOSA-N 1 2 341.459 1.866 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148540 448708510 /nfs/dbraw/zinc/70/85/10/448708510.db2.gz WMAJDUUUCYINKO-BDJLRTHQSA-N 1 2 339.342 1.965 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148540 448708513 /nfs/dbraw/zinc/70/85/13/448708513.db2.gz WMAJDUUUCYINKO-BDJLRTHQSA-N 1 2 339.342 1.965 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148888 448708674 /nfs/dbraw/zinc/70/86/74/448708674.db2.gz DUOGJKWQVFBFDP-INIZCTEOSA-N 1 2 330.413 1.591 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148888 448708679 /nfs/dbraw/zinc/70/86/79/448708679.db2.gz DUOGJKWQVFBFDP-INIZCTEOSA-N 1 2 330.413 1.591 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000592149503 448710159 /nfs/dbraw/zinc/71/01/59/448710159.db2.gz QEGWRDREISSPJJ-QGZVFWFLSA-N 1 2 344.440 1.305 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000592149503 448710167 /nfs/dbraw/zinc/71/01/67/448710167.db2.gz QEGWRDREISSPJJ-QGZVFWFLSA-N 1 2 344.440 1.305 20 30 EDEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149193 448710678 /nfs/dbraw/zinc/71/06/78/448710678.db2.gz KLIOMHBBDQXEDO-SFHVURJKSA-N 1 2 331.416 1.440 20 30 EDEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149193 448710682 /nfs/dbraw/zinc/71/06/82/448710682.db2.gz KLIOMHBBDQXEDO-SFHVURJKSA-N 1 2 331.416 1.440 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000518888643 448718859 /nfs/dbraw/zinc/71/88/59/448718859.db2.gz FPNXBUNXDUYVDG-HOCLYGCPSA-N 1 2 333.436 1.218 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)C1=O ZINC000528786269 448676756 /nfs/dbraw/zinc/67/67/56/448676756.db2.gz VXXGZJBIJKFPOT-LLMODLSVSA-N 1 2 349.481 1.710 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)C1=O ZINC000528786269 448676760 /nfs/dbraw/zinc/67/67/60/448676760.db2.gz VXXGZJBIJKFPOT-LLMODLSVSA-N 1 2 349.481 1.710 20 30 EDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(n2ncc(C(=O)OCC)c2C)CC1 ZINC000586773019 448807897 /nfs/dbraw/zinc/80/78/97/448807897.db2.gz USCYJBHIBFWMNZ-OAHLLOKOSA-N 1 2 335.404 1.733 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000519759463 448837645 /nfs/dbraw/zinc/83/76/45/448837645.db2.gz PINAGRITIVMTTC-MRXNPFEDSA-N 1 2 342.359 1.354 20 30 EDEDLO COc1cc(C[NH+]2CCN(c3ccnc(C#N)n3)CC2)cc(OC)c1 ZINC000519769276 448840651 /nfs/dbraw/zinc/84/06/51/448840651.db2.gz ISHJDICHUODPEK-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000581861063 448987414 /nfs/dbraw/zinc/98/74/14/448987414.db2.gz GCYPHSJMOKMYDZ-BASYENTBSA-N 1 2 335.448 1.596 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000581861063 448987419 /nfs/dbraw/zinc/98/74/19/448987419.db2.gz GCYPHSJMOKMYDZ-BASYENTBSA-N 1 2 335.448 1.596 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@]1(C#N)CC13CCCC3)C2 ZINC000569250315 448989124 /nfs/dbraw/zinc/98/91/24/448989124.db2.gz OOQRSMCUBYYWDR-KUHUBIRLSA-N 1 2 342.443 1.631 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000592923699 449060344 /nfs/dbraw/zinc/06/03/44/449060344.db2.gz GNCFJWHLYQVASR-ZDUSSCGKSA-N 1 2 328.328 1.285 20 30 EDEDLO Cn1ccc(N2CCC[C@H]([NH2+]Cc3cccc(F)c3C#N)C2=O)n1 ZINC000589821419 449063928 /nfs/dbraw/zinc/06/39/28/449063928.db2.gz SJRWBRYNLXOCBW-HNNXBMFYSA-N 1 2 327.363 1.716 20 30 EDEDLO COCC#CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595727028 449133953 /nfs/dbraw/zinc/13/39/53/449133953.db2.gz VGGNAIXQPLKPJE-UHFFFAOYSA-N 1 2 335.411 1.720 20 30 EDEDLO CC(C)NS(=O)(=O)c1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000548788312 449097005 /nfs/dbraw/zinc/09/70/05/449097005.db2.gz HNMWBJOWDOUTQC-HNNXBMFYSA-N 1 2 334.445 1.906 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000593150922 449153440 /nfs/dbraw/zinc/15/34/40/449153440.db2.gz AHXRAGPUOANZDK-UHFFFAOYSA-N 1 2 346.431 1.679 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000593153274 449153630 /nfs/dbraw/zinc/15/36/30/449153630.db2.gz KGTPXUWSHDPNDI-AWEZNQCLSA-N 1 2 325.315 1.511 20 30 EDEDLO CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000597944547 449154194 /nfs/dbraw/zinc/15/41/94/449154194.db2.gz DXRHNDUYRNPWAH-MRXNPFEDSA-N 1 2 349.456 1.026 20 30 EDEDLO CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000597944547 449154198 /nfs/dbraw/zinc/15/41/98/449154198.db2.gz DXRHNDUYRNPWAH-MRXNPFEDSA-N 1 2 349.456 1.026 20 30 EDEDLO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595842197 449202747 /nfs/dbraw/zinc/20/27/47/449202747.db2.gz YMFUQSISIXUZQU-ACJLOTCBSA-N 1 2 329.400 1.713 20 30 EDEDLO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595842197 449202751 /nfs/dbraw/zinc/20/27/51/449202751.db2.gz YMFUQSISIXUZQU-ACJLOTCBSA-N 1 2 329.400 1.713 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCc4nccnc4C3)C2=O)cc1 ZINC000595865315 449217890 /nfs/dbraw/zinc/21/78/90/449217890.db2.gz WUASIWTYGGOAMF-SFHVURJKSA-N 1 2 333.395 1.902 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCc4nccnc4C3)C2=O)cc1 ZINC000595865315 449217895 /nfs/dbraw/zinc/21/78/95/449217895.db2.gz WUASIWTYGGOAMF-SFHVURJKSA-N 1 2 333.395 1.902 20 30 EDEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cn1 ZINC000601850842 449183684 /nfs/dbraw/zinc/18/36/84/449183684.db2.gz HBOOAQSAAJVLJJ-UHFFFAOYSA-N 1 2 339.424 1.831 20 30 EDEDLO N#Cc1ccnc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601856701 449186582 /nfs/dbraw/zinc/18/65/82/449186582.db2.gz ZAMONCXXZNJGTM-UHFFFAOYSA-N 1 2 339.424 1.831 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1[nH]nc2ccccc21 ZINC000611285802 449250826 /nfs/dbraw/zinc/25/08/26/449250826.db2.gz SDGFUKORWKXDLQ-ZDUSSCGKSA-N 1 2 333.399 1.935 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1[nH]nc2ccccc21 ZINC000611285802 449250831 /nfs/dbraw/zinc/25/08/31/449250831.db2.gz SDGFUKORWKXDLQ-ZDUSSCGKSA-N 1 2 333.399 1.935 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1n[nH]c2ccccc21 ZINC000611285802 449250847 /nfs/dbraw/zinc/25/08/47/449250847.db2.gz SDGFUKORWKXDLQ-ZDUSSCGKSA-N 1 2 333.399 1.935 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1n[nH]c2ccccc21 ZINC000611285802 449250850 /nfs/dbraw/zinc/25/08/50/449250850.db2.gz SDGFUKORWKXDLQ-ZDUSSCGKSA-N 1 2 333.399 1.935 20 30 EDEDLO N#Cc1cccc2c1CN(C(=O)c1ccc(C[NH+]3CCOCC3)cn1)C2 ZINC000593888419 449265082 /nfs/dbraw/zinc/26/50/82/449265082.db2.gz LYZNBUZJXKOTDX-UHFFFAOYSA-N 1 2 348.406 1.941 20 30 EDEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000611509868 449314466 /nfs/dbraw/zinc/31/44/66/449314466.db2.gz DISZHMXHVPJUGA-UHFFFAOYSA-N 1 2 337.383 1.526 20 30 EDEDLO CC(C)(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1c[nH]c[nH+]1 ZINC000598681441 449539117 /nfs/dbraw/zinc/53/91/17/449539117.db2.gz KGBXBVXGMIIVHF-UHFFFAOYSA-N 1 2 338.415 1.739 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000602372686 449548697 /nfs/dbraw/zinc/54/86/97/449548697.db2.gz MUPXHXJUNRYNAY-KRWDZBQOSA-N 1 2 328.416 1.586 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000602372686 449548700 /nfs/dbraw/zinc/54/87/00/449548700.db2.gz MUPXHXJUNRYNAY-KRWDZBQOSA-N 1 2 328.416 1.586 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596599639 449568371 /nfs/dbraw/zinc/56/83/71/449568371.db2.gz XFYOCBXARRSGRA-CYBMUJFWSA-N 1 2 329.448 1.755 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596599639 449568375 /nfs/dbraw/zinc/56/83/75/449568375.db2.gz XFYOCBXARRSGRA-CYBMUJFWSA-N 1 2 329.448 1.755 20 30 EDEDLO N#Cc1ccc(N(CC[NH+]2CCOCC2)Cc2ccco2)nc1N ZINC000594584466 449583832 /nfs/dbraw/zinc/58/38/32/449583832.db2.gz BGQNXMFBAWQTNJ-UHFFFAOYSA-N 1 2 327.388 1.467 20 30 EDEDLO C[C@H](CC#N)N(C)C(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000601037184 449668526 /nfs/dbraw/zinc/66/85/26/449668526.db2.gz QINVFCRCHJXFSP-CQSZACIVSA-N 1 2 348.422 1.944 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000596838050 449676420 /nfs/dbraw/zinc/67/64/20/449676420.db2.gz ITXAHGQJHNWONM-OLZOCXBDSA-N 1 2 332.404 1.798 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000596838050 449676426 /nfs/dbraw/zinc/67/64/26/449676426.db2.gz ITXAHGQJHNWONM-OLZOCXBDSA-N 1 2 332.404 1.798 20 30 EDEDLO N#C[C@@]1(F)CCN(Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000602628548 449715880 /nfs/dbraw/zinc/71/58/80/449715880.db2.gz HADVQXZJSZVBNH-SFHVURJKSA-N 1 2 333.407 1.835 20 30 EDEDLO C[C@H]1C[N@H+](CCNS(=O)(=O)Cc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000594818435 449727165 /nfs/dbraw/zinc/72/71/65/449727165.db2.gz XYDYMJCOCYLKIQ-KBPBESRZSA-N 1 2 337.445 1.087 20 30 EDEDLO C[C@H]1C[N@@H+](CCNS(=O)(=O)Cc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000594818435 449727169 /nfs/dbraw/zinc/72/71/69/449727169.db2.gz XYDYMJCOCYLKIQ-KBPBESRZSA-N 1 2 337.445 1.087 20 30 EDEDLO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC[S@]1=O ZINC000617565636 449693276 /nfs/dbraw/zinc/69/32/76/449693276.db2.gz ITIOIAKTANXZEW-KKAKJJSRSA-N 1 2 336.457 1.335 20 30 EDEDLO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC[S@]1=O ZINC000617565636 449693282 /nfs/dbraw/zinc/69/32/82/449693282.db2.gz ITIOIAKTANXZEW-KKAKJJSRSA-N 1 2 336.457 1.335 20 30 EDEDLO C=CCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H](C)COC ZINC000617577392 449695616 /nfs/dbraw/zinc/69/56/16/449695616.db2.gz NRSHUBZDKIEZLJ-OAHLLOKOSA-N 1 2 334.464 1.682 20 30 EDEDLO CSc1ccc(O)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000597023736 449772181 /nfs/dbraw/zinc/77/21/81/449772181.db2.gz ZVMSTNKPJPUGBD-UHFFFAOYSA-N 1 2 349.456 1.802 20 30 EDEDLO N#Cc1nc(N2CC[NH+](CCc3cnccn3)CC2)sc1Cl ZINC000601253094 449775694 /nfs/dbraw/zinc/77/56/94/449775694.db2.gz DRKMQNXAXSDCOV-UHFFFAOYSA-N 1 2 334.836 1.823 20 30 EDEDLO CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)C3(C#N)CC4(CC4)C3)C[C@H]2C)CC1 ZINC000601296795 449808209 /nfs/dbraw/zinc/80/82/09/449808209.db2.gz ZTVOKHZTZPDKPI-GDBMZVCRSA-N 1 2 344.459 1.081 20 30 EDEDLO Cc1ccccc1CN(C)C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854631 449861235 /nfs/dbraw/zinc/86/12/35/449861235.db2.gz CMFBXNJGJNWMBU-IAGOWNOFSA-N 1 2 328.460 1.872 20 30 EDEDLO COc1ccc(CNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602856600 449863937 /nfs/dbraw/zinc/86/39/37/449863937.db2.gz LLTRKDYCGCCUPM-GASCZTMLSA-N 1 2 330.432 1.230 20 30 EDEDLO COc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602856600 449863944 /nfs/dbraw/zinc/86/39/44/449863944.db2.gz LLTRKDYCGCCUPM-GASCZTMLSA-N 1 2 330.432 1.230 20 30 EDEDLO CC#CC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602954792 449956425 /nfs/dbraw/zinc/95/64/25/449956425.db2.gz IEUQHYSCPVSPJN-UHFFFAOYSA-N 1 2 342.184 1.227 20 30 EDEDLO C[C@@H]1C[N@H+](CCN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000595286912 450001613 /nfs/dbraw/zinc/00/16/13/450001613.db2.gz NOBVAJONVJFWRW-HDICACEKSA-N 1 2 342.487 1.785 20 30 EDEDLO C[C@@H]1C[N@@H+](CCN2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000595286912 450001621 /nfs/dbraw/zinc/00/16/21/450001621.db2.gz NOBVAJONVJFWRW-HDICACEKSA-N 1 2 342.487 1.785 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603006691 450003376 /nfs/dbraw/zinc/00/33/76/450003376.db2.gz JBWIYLRLDUUEBW-IBGZPJMESA-N 1 2 344.459 1.564 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000609540994 450046346 /nfs/dbraw/zinc/04/63/46/450046346.db2.gz NUAOZFNYNDLYMI-GOEBONIOSA-N 1 2 340.427 1.972 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000609540994 450046352 /nfs/dbraw/zinc/04/63/52/450046352.db2.gz NUAOZFNYNDLYMI-GOEBONIOSA-N 1 2 340.427 1.972 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595335062 450050041 /nfs/dbraw/zinc/05/00/41/450050041.db2.gz UWHISEIQAMQUFH-UHFFFAOYSA-N 1 2 336.367 1.782 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@](OC)(C(=O)OC)C2)c1C#N ZINC000599561324 450060338 /nfs/dbraw/zinc/06/03/38/450060338.db2.gz BOTXLBTVAJOZCB-KRWDZBQOSA-N 1 2 332.356 1.109 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@](OC)(C(=O)OC)C2)c1C#N ZINC000599561324 450060343 /nfs/dbraw/zinc/06/03/43/450060343.db2.gz BOTXLBTVAJOZCB-KRWDZBQOSA-N 1 2 332.356 1.109 20 30 EDEDLO N#Cc1cccc(NC(=O)Cn2cc(C[NH+]3CCSCC3)nn2)c1 ZINC000603164740 450104891 /nfs/dbraw/zinc/10/48/91/450104891.db2.gz WACZXHPWLHQJEO-UHFFFAOYSA-N 1 2 342.428 1.337 20 30 EDEDLO N#CCCN1CCN(C(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000601621334 450117966 /nfs/dbraw/zinc/11/79/66/450117966.db2.gz PHXBATJIBNGHHM-UHFFFAOYSA-N 1 2 342.447 1.423 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597613175 450146177 /nfs/dbraw/zinc/14/61/77/450146177.db2.gz AJLOERREEIMKRA-UHFFFAOYSA-N 1 2 328.416 1.749 20 30 EDEDLO COC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595449695 450149731 /nfs/dbraw/zinc/14/97/31/450149731.db2.gz PNSAOUFADBTORC-UHFFFAOYSA-N 1 2 341.333 1.868 20 30 EDEDLO COc1cc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)sn1 ZINC000595457290 450155551 /nfs/dbraw/zinc/15/55/51/450155551.db2.gz IXEFMSPRNUYSST-UHFFFAOYSA-N 1 2 332.433 1.388 20 30 EDEDLO C[C@]1(C#N)CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000595466584 450161164 /nfs/dbraw/zinc/16/11/64/450161164.db2.gz VQPIHDIEABOTSE-HZPDHXFCSA-N 1 2 338.477 1.139 20 30 EDEDLO CC(C)(C#N)CC(=O)NCC[NH+]1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000597659564 450176312 /nfs/dbraw/zinc/17/63/12/450176312.db2.gz XIYSOXUVTYASMW-UHFFFAOYSA-N 1 2 347.463 1.127 20 30 EDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000597711001 450215087 /nfs/dbraw/zinc/21/50/87/450215087.db2.gz ZOENLCORNASGAL-GBESFXJTSA-N 1 2 339.439 1.985 20 30 EDEDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)c1cc2ccccc2n1CC#N ZINC000601733251 450197358 /nfs/dbraw/zinc/19/73/58/450197358.db2.gz ADCHVPUXJIKSAT-OAHLLOKOSA-N 1 2 326.400 1.567 20 30 EDEDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)c1cc2ccccc2n1CC#N ZINC000601733251 450197362 /nfs/dbraw/zinc/19/73/62/450197362.db2.gz ADCHVPUXJIKSAT-OAHLLOKOSA-N 1 2 326.400 1.567 20 30 EDEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCC[C@@](C)(C#N)C2)C1 ZINC000603310914 450236148 /nfs/dbraw/zinc/23/61/48/450236148.db2.gz WQPROMIVOBDNNL-KRWDZBQOSA-N 1 2 333.457 1.989 20 30 EDEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCC[C@@](C)(C#N)C2)C1 ZINC000603310914 450236153 /nfs/dbraw/zinc/23/61/53/450236153.db2.gz WQPROMIVOBDNNL-KRWDZBQOSA-N 1 2 333.457 1.989 20 30 EDEDLO COCCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610486291 450238807 /nfs/dbraw/zinc/23/88/07/450238807.db2.gz YEAKPONAHJNAPB-UHFFFAOYSA-N 1 2 343.343 1.783 20 30 EDEDLO CCOc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)nc1 ZINC000610683056 450298705 /nfs/dbraw/zinc/29/87/05/450298705.db2.gz WZPVRAVFKCQPOG-CQSZACIVSA-N 1 2 338.415 1.853 20 30 EDEDLO CCOc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)nc1 ZINC000610683056 450298710 /nfs/dbraw/zinc/29/87/10/450298710.db2.gz WZPVRAVFKCQPOG-CQSZACIVSA-N 1 2 338.415 1.853 20 30 EDEDLO C=C[C@@H](C(=O)OC)N1CCC[N@@H+](Cc2nc([C@H](C)OC)no2)CC1 ZINC000619718822 450318145 /nfs/dbraw/zinc/31/81/45/450318145.db2.gz ZXGSWZQWJHSZRC-STQMWFEESA-N 1 2 338.408 1.012 20 30 EDEDLO C=C[C@@H](C(=O)OC)N1CCC[N@H+](Cc2nc([C@H](C)OC)no2)CC1 ZINC000619718822 450318147 /nfs/dbraw/zinc/31/81/47/450318147.db2.gz ZXGSWZQWJHSZRC-STQMWFEESA-N 1 2 338.408 1.012 20 30 EDEDLO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000619718517 450318209 /nfs/dbraw/zinc/31/82/09/450318209.db2.gz PFYPSBXPCMHNCI-VXGBXAGGSA-N 1 2 336.354 1.837 20 30 EDEDLO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000619718517 450318213 /nfs/dbraw/zinc/31/82/13/450318213.db2.gz PFYPSBXPCMHNCI-VXGBXAGGSA-N 1 2 336.354 1.837 20 30 EDEDLO CC(C)OC[C@@H](O)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000610865056 450359976 /nfs/dbraw/zinc/35/99/76/450359976.db2.gz QOFPVCIXMPNTRQ-AWEZNQCLSA-N 1 2 334.420 1.332 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610904429 450376485 /nfs/dbraw/zinc/37/64/85/450376485.db2.gz FAWUAYTXLDQVRD-OAHLLOKOSA-N 1 2 337.383 1.865 20 30 EDEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1CC#N)c1ccco1 ZINC000619571858 450509137 /nfs/dbraw/zinc/50/91/37/450509137.db2.gz DYRFBXXJCLAAEC-CQSZACIVSA-N 1 2 333.413 1.927 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000619588438 450512838 /nfs/dbraw/zinc/51/28/38/450512838.db2.gz QUZNYFOVHOMWHE-UHFFFAOYSA-N 1 2 342.447 1.210 20 30 EDEDLO C=CCCOCC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000620724771 450533611 /nfs/dbraw/zinc/53/36/11/450533611.db2.gz TUBRDSCWIHUAHR-SFHVURJKSA-N 1 2 331.460 1.512 20 30 EDEDLO C=CCCOCC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000620724771 450533613 /nfs/dbraw/zinc/53/36/13/450533613.db2.gz TUBRDSCWIHUAHR-SFHVURJKSA-N 1 2 331.460 1.512 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCO[C@H](CCF)C1 ZINC000626006535 450552770 /nfs/dbraw/zinc/55/27/70/450552770.db2.gz AIWSVQLVPZLKSG-CQSZACIVSA-N 1 2 330.359 1.346 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCO[C@H](CCF)C1 ZINC000626006535 450552772 /nfs/dbraw/zinc/55/27/72/450552772.db2.gz AIWSVQLVPZLKSG-CQSZACIVSA-N 1 2 330.359 1.346 20 30 EDEDLO C=CC[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000624930586 451066464 /nfs/dbraw/zinc/06/64/64/451066464.db2.gz YLTYGPJZFOJPCS-AEFFLSMTSA-N 1 2 344.459 1.890 20 30 EDEDLO C=CC[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000624930586 451066470 /nfs/dbraw/zinc/06/64/70/451066470.db2.gz YLTYGPJZFOJPCS-AEFFLSMTSA-N 1 2 344.459 1.890 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccccc2C(C)=O)nn1 ZINC000640909719 451685172 /nfs/dbraw/zinc/68/51/72/451685172.db2.gz WXBVKTNFSTYKSW-ZDUSSCGKSA-N 1 2 339.399 1.793 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000637195478 451753040 /nfs/dbraw/zinc/75/30/40/451753040.db2.gz BGPULDAFTCGGTL-UHFFFAOYSA-N 1 2 339.480 1.322 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000637195478 451753042 /nfs/dbraw/zinc/75/30/42/451753042.db2.gz BGPULDAFTCGGTL-UHFFFAOYSA-N 1 2 339.480 1.322 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000639695130 452033279 /nfs/dbraw/zinc/03/32/79/452033279.db2.gz CTZIBMJTUIHXSJ-UHFFFAOYSA-N 1 2 349.479 2.329 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000645134011 452169855 /nfs/dbraw/zinc/16/98/55/452169855.db2.gz RYMGTGOPNHTRCZ-ZWKOTPCHSA-N 1 2 345.443 1.133 20 30 EDEDLO C=CCOc1cccnc1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056413 452226567 /nfs/dbraw/zinc/22/65/67/452226567.db2.gz ZMRGZBPBLAVYCI-KFWWJZLASA-N 1 2 333.432 1.874 20 30 EDEDLO C=CCOc1cccnc1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056413 452226575 /nfs/dbraw/zinc/22/65/75/452226575.db2.gz ZMRGZBPBLAVYCI-KFWWJZLASA-N 1 2 333.432 1.874 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000645331427 452309841 /nfs/dbraw/zinc/30/98/41/452309841.db2.gz CNNJLWXHPAHWDT-DLBZAZTESA-N 1 2 340.427 1.777 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661576387 452382989 /nfs/dbraw/zinc/38/29/89/452382989.db2.gz KRMLFJIOAJYBOT-UHFFFAOYSA-N 1 2 338.249 1.873 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000658532366 453087225 /nfs/dbraw/zinc/08/72/25/453087225.db2.gz VDVIREFHLBZPLV-JKSUJKDBSA-N 1 2 330.432 1.861 20 30 EDEDLO C=CCOCCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000660304185 453195696 /nfs/dbraw/zinc/19/56/96/453195696.db2.gz BGMFJWZMMRANMV-UHFFFAOYSA-N 1 2 334.420 1.310 20 30 EDEDLO C=CCn1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)nn1 ZINC000648785688 453271615 /nfs/dbraw/zinc/27/16/15/453271615.db2.gz YRZKXLHATYIUTI-AWEZNQCLSA-N 1 2 326.404 1.378 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664807278 453417768 /nfs/dbraw/zinc/41/77/68/453417768.db2.gz UUJSYFGPAPXDRZ-JJXSEGSLSA-N 1 2 325.453 1.376 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664807278 453417783 /nfs/dbraw/zinc/41/77/83/453417783.db2.gz UUJSYFGPAPXDRZ-JJXSEGSLSA-N 1 2 325.453 1.376 20 30 EDEDLO COCC#CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000677476834 486032133 /nfs/dbraw/zinc/03/21/33/486032133.db2.gz HIAXJIOOHYWWAI-UHFFFAOYSA-N 1 2 340.420 1.172 20 30 EDEDLO COCC#CC[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000677476834 486032140 /nfs/dbraw/zinc/03/21/40/486032140.db2.gz HIAXJIOOHYWWAI-UHFFFAOYSA-N 1 2 340.420 1.172 20 30 EDEDLO CCN(CC#N)C(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000601015401 486150738 /nfs/dbraw/zinc/15/07/38/486150738.db2.gz KGKRFVRMMDIEPP-UHFFFAOYSA-N 1 2 334.395 1.555 20 30 EDEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCN(CC#N)CC3)cn2c1 ZINC000174347995 534507205 /nfs/dbraw/zinc/50/72/05/534507205.db2.gz AEFGXPLJYIWQKS-UHFFFAOYSA-N 1 2 343.456 1.544 20 30 EDEDLO CCC(CC)(NC(=O)C1C[NH+](Cc2ccc(F)cc2C#N)C1)C(N)=O ZINC000353202023 534998624 /nfs/dbraw/zinc/99/86/24/534998624.db2.gz ITKIHKHUKKWTLN-UHFFFAOYSA-N 1 2 346.406 1.289 20 30 EDEDLO C[N@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000332397684 536417708 /nfs/dbraw/zinc/41/77/08/536417708.db2.gz UEDHMGNWKXBXOX-VHSXEESVSA-N 1 2 333.335 1.580 20 30 EDEDLO C[N@@H+](C[C@@H](O)C(F)(F)F)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000332397684 536417712 /nfs/dbraw/zinc/41/77/12/536417712.db2.gz UEDHMGNWKXBXOX-VHSXEESVSA-N 1 2 333.335 1.580 20 30 EDEDLO C[C@@H](OC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)C(=O)N(C)CCC#N ZINC000740987165 579392438 /nfs/dbraw/zinc/39/24/38/579392438.db2.gz KIMZYHSOAGSJMQ-LSDHHAIUSA-N 1 2 343.427 1.737 20 30 EDEDLO C[C@@H](OC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)C(=O)N(C)CCC#N ZINC000740987165 579392439 /nfs/dbraw/zinc/39/24/39/579392439.db2.gz KIMZYHSOAGSJMQ-LSDHHAIUSA-N 1 2 343.427 1.737 20 30 EDEDLO Cn1ccc(N2CCC[C@@H](O[NH+]=C(N)c3ccc(Cl)cc3)C2=O)n1 ZINC000742352880 579449438 /nfs/dbraw/zinc/44/94/38/579449438.db2.gz GCWMLBKEWMIKSQ-CYBMUJFWSA-N 1 2 347.806 1.906 20 30 EDEDLO Cc1cccn2cc(CC(=O)NCCNc3ccc(C#N)cn3)[nH+]c12 ZINC000725883844 578298075 /nfs/dbraw/zinc/29/80/75/578298075.db2.gz QVXKLJDQUAZOCV-UHFFFAOYSA-N 1 2 334.383 1.680 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccccc2F)CC1 ZINC000729257413 578562449 /nfs/dbraw/zinc/56/24/49/578562449.db2.gz CETQIHVFWUAATH-UHFFFAOYSA-N 1 2 345.418 1.042 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2F)CC1 ZINC000729257413 578562450 /nfs/dbraw/zinc/56/24/50/578562450.db2.gz CETQIHVFWUAATH-UHFFFAOYSA-N 1 2 345.418 1.042 20 30 EDEDLO CS(=O)(=O)c1ccccc1N[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000731934124 578684628 /nfs/dbraw/zinc/68/46/28/578684628.db2.gz WQNYMGMKWLXXMA-UHFFFAOYSA-N 1 2 345.428 1.926 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=S)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000731947994 578685529 /nfs/dbraw/zinc/68/55/29/578685529.db2.gz QXWHYCHUMRHRNF-ZDUSSCGKSA-N 1 2 337.880 1.744 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=S)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000731947994 578685530 /nfs/dbraw/zinc/68/55/30/578685530.db2.gz QXWHYCHUMRHRNF-ZDUSSCGKSA-N 1 2 337.880 1.744 20 30 EDEDLO Cc1cccn2cc(CC(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)[nH+]c12 ZINC000732357538 578707803 /nfs/dbraw/zinc/70/78/03/578707803.db2.gz AIWKPFTXICRQCC-SFHVURJKSA-N 1 2 340.383 1.537 20 30 EDEDLO CC1(C)C(=O)N(C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1(C)C ZINC000760549604 580033446 /nfs/dbraw/zinc/03/34/46/580033446.db2.gz BYCXHHIVSPDFHS-UHFFFAOYSA-N 1 2 327.432 1.680 20 30 EDEDLO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000761054618 580045620 /nfs/dbraw/zinc/04/56/20/580045620.db2.gz HOAWZZATRVDUBW-OCCSQVGLSA-N 1 2 349.394 1.434 20 30 EDEDLO C[C@@H]1CC(=O)NCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000761054618 580045621 /nfs/dbraw/zinc/04/56/21/580045621.db2.gz HOAWZZATRVDUBW-OCCSQVGLSA-N 1 2 349.394 1.434 20 30 EDEDLO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@H]1CCCCNC1=O ZINC000744393638 579509259 /nfs/dbraw/zinc/50/92/59/579509259.db2.gz OFJNQBYKVHOXGR-HNNXBMFYSA-N 1 2 339.399 1.021 20 30 EDEDLO C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@H]1CCCCNC1=O ZINC000744393638 579509261 /nfs/dbraw/zinc/50/92/61/579509261.db2.gz OFJNQBYKVHOXGR-HNNXBMFYSA-N 1 2 339.399 1.021 20 30 EDEDLO CC(C)CN(CCC#N)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000746174843 579575140 /nfs/dbraw/zinc/57/51/40/579575140.db2.gz RPQKFBKTMMYLEC-UHFFFAOYSA-N 1 2 329.448 1.602 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c(cnn3C(F)F)c2)CC1 ZINC000746663906 579605806 /nfs/dbraw/zinc/60/58/06/579605806.db2.gz CAHQWRCTXCOVQC-UHFFFAOYSA-N 1 2 347.369 1.621 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3CC4(CCCC4)CC3=O)CC2)nc1 ZINC000747454552 579644380 /nfs/dbraw/zinc/64/43/80/579644380.db2.gz POMNLHPXYLLYPJ-UHFFFAOYSA-N 1 2 339.443 1.825 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000752083580 579837455 /nfs/dbraw/zinc/83/74/55/579837455.db2.gz QOJOKYLQMPEWDK-UHFFFAOYSA-N 1 2 325.334 1.577 20 30 EDEDLO COC[C@H]1CCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000752328473 579845917 /nfs/dbraw/zinc/84/59/17/579845917.db2.gz ZWFOFHGQDVBUHA-TZMCWYRMSA-N 1 2 340.383 1.622 20 30 EDEDLO COC[C@H]1CCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000752328473 579845918 /nfs/dbraw/zinc/84/59/18/579845918.db2.gz ZWFOFHGQDVBUHA-TZMCWYRMSA-N 1 2 340.383 1.622 20 30 EDEDLO C#CCOCCNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000753378749 579878401 /nfs/dbraw/zinc/87/84/01/579878401.db2.gz OHJSLORTCPZVQH-MRXNPFEDSA-N 1 2 345.443 1.733 20 30 EDEDLO COc1cc2c(cc1OC)C(=NNC1=[NH+][C@@H]3CCCC[C@@H]3N1)C(=O)N2 ZINC000753930984 579891322 /nfs/dbraw/zinc/89/13/22/579891322.db2.gz XMDOZGUDWOYUCQ-PHIMTYICSA-N 1 2 343.387 1.220 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000754489683 579904276 /nfs/dbraw/zinc/90/42/76/579904276.db2.gz VWXZJQLGRYLVSC-QHCPKHFHSA-N 1 2 329.429 1.002 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000755045872 579918778 /nfs/dbraw/zinc/91/87/78/579918778.db2.gz POFTZGNAFJQROB-WBVHZDCISA-N 1 2 329.400 1.573 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000755045872 579918779 /nfs/dbraw/zinc/91/87/79/579918779.db2.gz POFTZGNAFJQROB-WBVHZDCISA-N 1 2 329.400 1.573 20 30 EDEDLO COCCCn1c(=O)c2ccccc2nc1NN=Cc1c[nH+]cn1C ZINC000755606807 579930805 /nfs/dbraw/zinc/93/08/05/579930805.db2.gz RPMKWVBMBBFOIG-UHFFFAOYSA-N 1 2 340.387 1.613 20 30 EDEDLO OCC(=NNc1ccc(-n2cc[nH+]c2)nn1)c1ccc(F)cc1F ZINC000761838889 580062513 /nfs/dbraw/zinc/06/25/13/580062513.db2.gz ODYQAEUNMWEGQC-UHFFFAOYSA-N 1 2 330.298 1.749 20 30 EDEDLO Cc1ccn(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(=O)c1C#N ZINC000758226499 579977603 /nfs/dbraw/zinc/97/76/03/579977603.db2.gz PWMHHVYJHBYOJS-OAHLLOKOSA-N 1 2 328.416 1.320 20 30 EDEDLO Cc1ccn(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(=O)c1C#N ZINC000758226499 579977604 /nfs/dbraw/zinc/97/76/04/579977604.db2.gz PWMHHVYJHBYOJS-OAHLLOKOSA-N 1 2 328.416 1.320 20 30 EDEDLO Cn1c(=O)[nH]cc(C(=O)C=Cc2c[nH+]c3ccc(Cl)cn23)c1=O ZINC000761806374 580062055 /nfs/dbraw/zinc/06/20/55/580062055.db2.gz ZYCNVYIZSNPAHB-ARJAWSKDSA-N 1 2 330.731 1.683 20 30 EDEDLO c1cn(-c2ccc(N=NCc3c[nH]nc3-c3cccnc3)nn2)c[nH+]1 ZINC000761855184 580062556 /nfs/dbraw/zinc/06/25/56/580062556.db2.gz KWWIZANJSMXIHJ-UHFFFAOYSA-N 1 2 331.343 1.893 20 30 EDEDLO C(=NNc1ccc(-n2cc[nH+]c2)nn1)c1c[nH]nc1-c1cccnc1 ZINC000761855184 580062557 /nfs/dbraw/zinc/06/25/57/580062557.db2.gz KWWIZANJSMXIHJ-UHFFFAOYSA-N 1 2 331.343 1.893 20 30 EDEDLO CCCCNC(=O)CN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000763397892 580099471 /nfs/dbraw/zinc/09/94/71/580099471.db2.gz FAHACCKYMUQKJE-SFHVURJKSA-N 1 2 344.459 1.126 20 30 EDEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634543 580170898 /nfs/dbraw/zinc/17/08/98/580170898.db2.gz XHCIHMIVGMJAKO-KRWDZBQOSA-N 1 2 337.427 1.909 20 30 EDEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634543 580170899 /nfs/dbraw/zinc/17/08/99/580170899.db2.gz XHCIHMIVGMJAKO-KRWDZBQOSA-N 1 2 337.427 1.909 20 30 EDEDLO C[C@@H](C#N)Oc1ccc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1 ZINC000769479921 580238133 /nfs/dbraw/zinc/23/81/33/580238133.db2.gz KKEJUEUMVCYJKK-NPMXOYFQSA-N 1 2 335.473 1.474 20 30 EDEDLO C[C@@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)Nc1ccccc1C#N ZINC000772050288 580301858 /nfs/dbraw/zinc/30/18/58/580301858.db2.gz PUUFXBDWLOVZLJ-OCCSQVGLSA-N 1 2 347.440 1.866 20 30 EDEDLO C[C@@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)Nc1ccccc1C#N ZINC000772050288 580301859 /nfs/dbraw/zinc/30/18/59/580301859.db2.gz PUUFXBDWLOVZLJ-OCCSQVGLSA-N 1 2 347.440 1.866 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCO1 ZINC000773156499 580328681 /nfs/dbraw/zinc/32/86/81/580328681.db2.gz CBXATMSKBPHMSH-CABCVRRESA-N 1 2 325.372 1.247 20 30 EDEDLO C#C[C@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CCCO1 ZINC000773213817 580330619 /nfs/dbraw/zinc/33/06/19/580330619.db2.gz SHOBALGDOJYJNJ-UONOGXRCSA-N 1 2 332.791 1.968 20 30 EDEDLO COc1cccc(NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000773973501 580350754 /nfs/dbraw/zinc/35/07/54/580350754.db2.gz FJZZWFSDXJPDKS-ZFWWWQNUSA-N 1 2 347.440 1.780 20 30 EDEDLO COc1cccc(NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000773973501 580350755 /nfs/dbraw/zinc/35/07/55/580350755.db2.gz FJZZWFSDXJPDKS-ZFWWWQNUSA-N 1 2 347.440 1.780 20 30 EDEDLO NC(=NOCc1cccnc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000774821736 580374864 /nfs/dbraw/zinc/37/48/64/580374864.db2.gz ZMTZMOJTJTVUBJ-UHFFFAOYSA-N 1 2 326.400 1.751 20 30 EDEDLO COC(=O)c1cccc(COC(=O)[C@@H](C)[NH+]2CCSCC2)c1C#N ZINC000774986888 580379908 /nfs/dbraw/zinc/37/99/08/580379908.db2.gz JCCZOTLOCGJXIJ-GFCCVEGCSA-N 1 2 348.424 1.825 20 30 EDEDLO C#C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCO1 ZINC000775340733 580388773 /nfs/dbraw/zinc/38/87/73/580388773.db2.gz MPBSSYCSPLRVCL-ROUUACIJSA-N 1 2 328.412 1.429 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCO1 ZINC000775798121 580401136 /nfs/dbraw/zinc/40/11/36/580401136.db2.gz HWQKUIRJXSWANM-KBPBESRZSA-N 1 2 328.328 1.915 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776593997 580423252 /nfs/dbraw/zinc/42/32/52/580423252.db2.gz QNDGKCCBMSZXCW-SJORKVTESA-N 1 2 332.404 1.794 20 30 EDEDLO N#CCCNC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000781342881 580547137 /nfs/dbraw/zinc/54/71/37/580547137.db2.gz GBHBCKLHDGINBQ-ZDUSSCGKSA-N 1 2 329.322 1.442 20 30 EDEDLO N#CCCNC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000781342881 580547138 /nfs/dbraw/zinc/54/71/38/580547138.db2.gz GBHBCKLHDGINBQ-ZDUSSCGKSA-N 1 2 329.322 1.442 20 30 EDEDLO COc1cccc(/C=N\[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1O ZINC000782880012 580587459 /nfs/dbraw/zinc/58/74/59/580587459.db2.gz IWUWCHOMHZQDCY-LPKQHDGYSA-N 1 2 342.399 1.744 20 30 EDEDLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000784440865 580621037 /nfs/dbraw/zinc/62/10/37/580621037.db2.gz BGFWROPLBYFEGB-PBHICJAKSA-N 1 2 336.436 1.301 20 30 EDEDLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000784440865 580621038 /nfs/dbraw/zinc/62/10/38/580621038.db2.gz BGFWROPLBYFEGB-PBHICJAKSA-N 1 2 336.436 1.301 20 30 EDEDLO CCOC(CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OCC ZINC000785715339 580651096 /nfs/dbraw/zinc/65/10/96/580651096.db2.gz WYEHFOBJDQNAEY-UHFFFAOYSA-N 1 2 345.443 1.992 20 30 EDEDLO C=CCN(C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1)C(C)C ZINC000787181981 580688896 /nfs/dbraw/zinc/68/88/96/580688896.db2.gz NYRYMXZEPGQSSD-UHFFFAOYSA-N 1 2 330.432 1.721 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2CCC(NC(=O)C(C)(C)C)CC2)CC1 ZINC000789950458 580757727 /nfs/dbraw/zinc/75/77/27/580757727.db2.gz QFQASTFGNUAHQM-UHFFFAOYSA-N 1 2 333.476 1.485 20 30 EDEDLO Cc1cc(C[NH+]2CCN(Cn3nc(CC#N)n(C)c3=S)CC2)on1 ZINC000794616237 580899791 /nfs/dbraw/zinc/89/97/91/580899791.db2.gz IXPFMVATXDYNDB-UHFFFAOYSA-N 1 2 347.448 1.089 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)c1=O)CCC2 ZINC000795633044 580931968 /nfs/dbraw/zinc/93/19/68/580931968.db2.gz SDIIRKWUODUAIU-SFHVURJKSA-N 1 2 329.400 1.048 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCO[C@@]4(CCCOC4)C3)c1=O)CCC2 ZINC000795633044 580931969 /nfs/dbraw/zinc/93/19/69/580931969.db2.gz SDIIRKWUODUAIU-SFHVURJKSA-N 1 2 329.400 1.048 20 30 EDEDLO C=CCNC(=O)[C@@H](C)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796002099 580943220 /nfs/dbraw/zinc/94/32/20/580943220.db2.gz GWCUIAWCNHUYCH-SECBINFHSA-N 1 2 337.326 1.857 20 30 EDEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000796307101 580950538 /nfs/dbraw/zinc/95/05/38/580950538.db2.gz ZTEBYHIGPJJSNM-YGRLFVJLSA-N 1 2 347.337 1.365 20 30 EDEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000796307101 580950539 /nfs/dbraw/zinc/95/05/39/580950539.db2.gz ZTEBYHIGPJJSNM-YGRLFVJLSA-N 1 2 347.337 1.365 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000796379624 580952604 /nfs/dbraw/zinc/95/26/04/580952604.db2.gz UXVGLNOCDQLOPL-QGTPRVQTSA-N 1 2 343.427 1.567 20 30 EDEDLO C#CCNC(=O)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000797527076 580977147 /nfs/dbraw/zinc/97/71/47/580977147.db2.gz CCUVCLOFVRQDDN-UHFFFAOYSA-N 1 2 330.819 1.825 20 30 EDEDLO C#CCNC(=O)C[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000797527076 580977148 /nfs/dbraw/zinc/97/71/48/580977148.db2.gz CCUVCLOFVRQDDN-UHFFFAOYSA-N 1 2 330.819 1.825 20 30 EDEDLO C#CCCCS(=O)(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000798226083 580991395 /nfs/dbraw/zinc/99/13/95/580991395.db2.gz YHMAUWRKJKAZOG-INIZCTEOSA-N 1 2 330.494 1.456 20 30 EDEDLO CCOC(=O)c1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)[nH]c1C ZINC000799485337 581029079 /nfs/dbraw/zinc/02/90/79/581029079.db2.gz KAVBQDCPZRRRDY-UHFFFAOYSA-N 1 2 339.359 1.922 20 30 EDEDLO CCCCCCCS(=O)(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000799795452 581036795 /nfs/dbraw/zinc/03/67/95/581036795.db2.gz HRVMKSNIRUYMBW-HNNXBMFYSA-N 1 2 348.509 1.856 20 30 EDEDLO CCCCCCCS(=O)(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000799795452 581036796 /nfs/dbraw/zinc/03/67/96/581036796.db2.gz HRVMKSNIRUYMBW-HNNXBMFYSA-N 1 2 348.509 1.856 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000800684611 581056847 /nfs/dbraw/zinc/05/68/47/581056847.db2.gz WKZXRTTVBJUPJY-WMZOPIPTSA-N 1 2 341.455 1.762 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000800684611 581056848 /nfs/dbraw/zinc/05/68/48/581056848.db2.gz WKZXRTTVBJUPJY-WMZOPIPTSA-N 1 2 341.455 1.762 20 30 EDEDLO C[C@@H](C#N)OCCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000801657430 581081994 /nfs/dbraw/zinc/08/19/94/581081994.db2.gz KBSTVROHHITTAA-HOCLYGCPSA-N 1 2 342.403 1.175 20 30 EDEDLO C[C@@H](C#N)OCCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000801657430 581081995 /nfs/dbraw/zinc/08/19/95/581081995.db2.gz KBSTVROHHITTAA-HOCLYGCPSA-N 1 2 342.403 1.175 20 30 EDEDLO CC(=O)N(C)C1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000328659459 590761532 /nfs/dbraw/zinc/76/15/32/590761532.db2.gz SUMYUDDAGLFYHG-OAHLLOKOSA-N 1 2 347.463 1.926 20 30 EDEDLO CCn1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(C)n1 ZINC000892224562 590873116 /nfs/dbraw/zinc/87/31/16/590873116.db2.gz XHBMSHGZCRTJKZ-CYBMUJFWSA-N 1 2 325.420 1.584 20 30 EDEDLO CCn1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c(C)n1 ZINC000892224562 590873119 /nfs/dbraw/zinc/87/31/19/590873119.db2.gz XHBMSHGZCRTJKZ-CYBMUJFWSA-N 1 2 325.420 1.584 20 30 EDEDLO C#CCn1ccc(CN(CC)c2cc(N[C@H](CC)CO)[nH+]cn2)n1 ZINC000893564016 590962478 /nfs/dbraw/zinc/96/24/78/590962478.db2.gz MFSLATICDBKJNV-CQSZACIVSA-N 1 2 328.420 1.516 20 30 EDEDLO C#CCn1ccc(CN(CC)c2cc(N[C@H](CC)CO)nc[nH+]2)n1 ZINC000893564016 590962481 /nfs/dbraw/zinc/96/24/81/590962481.db2.gz MFSLATICDBKJNV-CQSZACIVSA-N 1 2 328.420 1.516 20 30 EDEDLO C#CC1(F)CN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cc(C)c3c2)C1 ZINC000891173148 590991755 /nfs/dbraw/zinc/99/17/55/590991755.db2.gz LFYDWPTXFZEPLU-UHFFFAOYSA-N 1 2 325.343 1.974 20 30 EDEDLO C=C(C)C[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000891410788 591069702 /nfs/dbraw/zinc/06/97/02/591069702.db2.gz VGGMODZVHNLGPM-ZDUSSCGKSA-N 1 2 330.388 1.264 20 30 EDEDLO Cc1nn(C)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000892622459 591099849 /nfs/dbraw/zinc/09/98/49/591099849.db2.gz KPDDWRTVUMAAKW-MRXNPFEDSA-N 1 2 339.399 1.440 20 30 EDEDLO Cc1nn(C)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000892622459 591099852 /nfs/dbraw/zinc/09/98/52/591099852.db2.gz KPDDWRTVUMAAKW-MRXNPFEDSA-N 1 2 339.399 1.440 20 30 EDEDLO Cc1nsc(N2CCN(c3cc(N(C)C)[nH+]cn3)CC2)c1C#N ZINC000893912950 591135711 /nfs/dbraw/zinc/13/57/11/591135711.db2.gz LSMKDUQZBVPVLB-UHFFFAOYSA-N 1 2 329.433 1.506 20 30 EDEDLO Cc1nsc(N2CCN(c3cc(N(C)C)nc[nH+]3)CC2)c1C#N ZINC000893912950 591135714 /nfs/dbraw/zinc/13/57/14/591135714.db2.gz LSMKDUQZBVPVLB-UHFFFAOYSA-N 1 2 329.433 1.506 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2=CCOCC2)CC1=O ZINC000840700330 591236495 /nfs/dbraw/zinc/23/64/95/591236495.db2.gz AEVKSUFNBRFUKO-UHFFFAOYSA-N 1 2 338.411 1.993 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000896333057 591424317 /nfs/dbraw/zinc/42/43/17/591424317.db2.gz LVSNMBHQLTYFEE-OAHLLOKOSA-N 1 2 343.427 1.341 20 30 EDEDLO Cn1c[nH+]c(CNC(=O)N2CCN(c3ccsc3C#N)CC2)c1 ZINC000898616461 591434933 /nfs/dbraw/zinc/43/49/33/591434933.db2.gz SHGNDPQUROCXOW-UHFFFAOYSA-N 1 2 330.417 1.385 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(OCC#N)cc1 ZINC000729609855 591559206 /nfs/dbraw/zinc/55/92/06/591559206.db2.gz QCVABIKZUVYMKT-CQSZACIVSA-N 1 2 332.404 1.109 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(OCC#N)cc1 ZINC000729609855 591559208 /nfs/dbraw/zinc/55/92/08/591559208.db2.gz QCVABIKZUVYMKT-CQSZACIVSA-N 1 2 332.404 1.109 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898899628 591586090 /nfs/dbraw/zinc/58/60/90/591586090.db2.gz OBQKVXAJAIJWLS-UHFFFAOYSA-N 1 2 328.372 1.694 20 30 EDEDLO C[C@@H](Nc1ncc(Br)cc1C#N)[C@H]1CN(C)CC[N@@H+]1C ZINC000895246482 591680197 /nfs/dbraw/zinc/68/01/97/591680197.db2.gz CCOZMKULRBNFAY-ZWNOBZJWSA-N 1 2 338.253 1.762 20 30 EDEDLO C[C@@H](Nc1ncc(Br)cc1C#N)[C@H]1CN(C)CC[N@H+]1C ZINC000895246482 591680199 /nfs/dbraw/zinc/68/01/99/591680199.db2.gz CCOZMKULRBNFAY-ZWNOBZJWSA-N 1 2 338.253 1.762 20 30 EDEDLO O=C(c1cccc(C#CCO)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000900656193 592082153 /nfs/dbraw/zinc/08/21/53/592082153.db2.gz NDWDZNIXUHORNX-IBGZPJMESA-N 1 2 342.439 1.357 20 30 EDEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000903208352 592138524 /nfs/dbraw/zinc/13/85/24/592138524.db2.gz IJEZCRSKYSSPGB-TXEJJXNPSA-N 1 2 325.821 1.679 20 30 EDEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000903208352 592138525 /nfs/dbraw/zinc/13/85/25/592138525.db2.gz IJEZCRSKYSSPGB-TXEJJXNPSA-N 1 2 325.821 1.679 20 30 EDEDLO N#Cc1ccccc1C(F)(F)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000901036414 592206734 /nfs/dbraw/zinc/20/67/34/592206734.db2.gz RTEWMIOFBFKDCT-CQSZACIVSA-N 1 2 335.354 1.583 20 30 EDEDLO CCOC(=O)[C@@]1(C)CC(=O)N(C[N@H+](C)Cc2cc(C#N)cs2)C1 ZINC000904441977 592261838 /nfs/dbraw/zinc/26/18/38/592261838.db2.gz PNFWSCZTUJBXCI-INIZCTEOSA-N 1 2 335.429 1.811 20 30 EDEDLO CCOC(=O)[C@@]1(C)CC(=O)N(C[N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000904441977 592261840 /nfs/dbraw/zinc/26/18/40/592261840.db2.gz PNFWSCZTUJBXCI-INIZCTEOSA-N 1 2 335.429 1.811 20 30 EDEDLO COCC[C@@H](C=[NH+]n1nnc2c1CCCC2)NC(=O)OC(C)(C)C ZINC000901329001 592330785 /nfs/dbraw/zinc/33/07/85/592330785.db2.gz QYXJYIMDBXJDRH-LBPRGKRZSA-N 1 2 337.424 1.921 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000908120741 592332619 /nfs/dbraw/zinc/33/26/19/592332619.db2.gz WCGJSTLHNIMZQZ-DZKIICNBSA-N 1 2 334.420 1.379 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000908120741 592332624 /nfs/dbraw/zinc/33/26/24/592332624.db2.gz WCGJSTLHNIMZQZ-DZKIICNBSA-N 1 2 334.420 1.379 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@H]2CCc3ccccc3C2)no1 ZINC000904096220 592430341 /nfs/dbraw/zinc/43/03/41/592430341.db2.gz GVYKXZDCXWNSOJ-GJZGRUSLSA-N 1 2 327.384 1.941 20 30 EDEDLO C=CCC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CN(C(=O)OC(C)(C)C)C1 ZINC000908759236 592601483 /nfs/dbraw/zinc/60/14/83/592601483.db2.gz BTSZUJQAVXBFHK-CYBMUJFWSA-N 1 2 346.431 1.737 20 30 EDEDLO C=CC[C@H]([NH2+][C@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1)C(=O)OC ZINC000905767618 592640137 /nfs/dbraw/zinc/64/01/37/592640137.db2.gz NBGXAMLONBNSOA-AXFHLTTASA-N 1 2 340.449 1.771 20 30 EDEDLO C#CCCCc1nnc(N2CC[NH+](CC#C)CC2)n1C[C@H]1CCCO1 ZINC000909768776 592828394 /nfs/dbraw/zinc/82/83/94/592828394.db2.gz VLHDPTFJDIEQMB-QGZVFWFLSA-N 1 2 341.459 1.168 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)nn1 ZINC000910777809 592893603 /nfs/dbraw/zinc/89/36/03/592893603.db2.gz LKOXIHOYTOTGHS-UHFFFAOYSA-N 1 2 337.427 1.955 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)nn1 ZINC000910777809 592893604 /nfs/dbraw/zinc/89/36/04/592893604.db2.gz LKOXIHOYTOTGHS-UHFFFAOYSA-N 1 2 337.427 1.955 20 30 EDEDLO CC[C@H](C#N)Oc1cc(CNC(=O)Cc2c[nH+]cn2C)ccc1OC ZINC000806855091 593121101 /nfs/dbraw/zinc/12/11/01/593121101.db2.gz YMUZUMNLZFDZNS-OAHLLOKOSA-N 1 2 342.399 1.969 20 30 EDEDLO C=C[C@H](CC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC)c1ccccc1 ZINC000807279945 593159024 /nfs/dbraw/zinc/15/90/24/593159024.db2.gz GGLCDFROMVEPTL-ZBFHGGJFSA-N 1 2 327.384 1.901 20 30 EDEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)c2nccnc2C1=O ZINC000839962894 593243940 /nfs/dbraw/zinc/24/39/40/593243940.db2.gz ATTQKBGMXIOKKU-UHFFFAOYSA-N 1 2 335.367 1.814 20 30 EDEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)c2nccnc2C1=O ZINC000839962894 593243942 /nfs/dbraw/zinc/24/39/42/593243942.db2.gz ATTQKBGMXIOKKU-UHFFFAOYSA-N 1 2 335.367 1.814 20 30 EDEDLO C[C@H](O)c1ncc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000809544687 593344205 /nfs/dbraw/zinc/34/42/05/593344205.db2.gz ROEXFKNNGOIXSO-LBPRGKRZSA-N 1 2 329.429 1.785 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)[C@@H]1CCCO1 ZINC000839563389 593345386 /nfs/dbraw/zinc/34/53/86/593345386.db2.gz IIBFUDVATMRJBU-ZFWWWQNUSA-N 1 2 341.367 1.392 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000839677164 593369337 /nfs/dbraw/zinc/36/93/37/593369337.db2.gz QCLBPYVOLDXVDT-LSDHHAIUSA-N 1 2 348.424 1.610 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000839677164 593369340 /nfs/dbraw/zinc/36/93/40/593369340.db2.gz QCLBPYVOLDXVDT-LSDHHAIUSA-N 1 2 348.424 1.610 20 30 EDEDLO C[C@@H]1C[C@@H]1CN=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000758369495 593402146 /nfs/dbraw/zinc/40/21/46/593402146.db2.gz HBARPNQQNMLMOA-ZIAGYGMSSA-N 1 2 336.461 1.676 20 30 EDEDLO CN(C)c1[nH+]cc(C=NN2C(=O)N[C@](C)(c3ccccc3)C2=O)n1C ZINC000811634001 593475462 /nfs/dbraw/zinc/47/54/62/593475462.db2.gz YWNXLGFPCLFHQC-QGZVFWFLSA-N 1 2 340.387 1.287 20 30 EDEDLO CC(C)OCCO[NH+]=Cc1c(Cl)nc(N)nc1N1CCOCC1 ZINC000812239117 593493232 /nfs/dbraw/zinc/49/32/32/593493232.db2.gz NBWUBRDJVQJMHW-UHFFFAOYSA-N 1 2 343.815 1.324 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)CC1 ZINC000813451538 593533765 /nfs/dbraw/zinc/53/37/65/593533765.db2.gz PDMWJGMFOZLRIE-KRWDZBQOSA-N 1 2 340.427 1.460 20 30 EDEDLO C=CCC(F)(F)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000816049385 593670911 /nfs/dbraw/zinc/67/09/11/593670911.db2.gz GUQPQRBGVNXTNX-LLVKDONJSA-N 1 2 326.347 1.239 20 30 EDEDLO C=C(Br)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000818979038 593732043 /nfs/dbraw/zinc/73/20/43/593732043.db2.gz GGYDJPOYOOSGMC-UHFFFAOYSA-N 1 2 330.207 1.225 20 30 EDEDLO CCn1nc(C)c(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000819380615 593752732 /nfs/dbraw/zinc/75/27/32/593752732.db2.gz QMMDHQFNEYKAGT-UHFFFAOYSA-N 1 2 333.417 1.042 20 30 EDEDLO COc1c(F)cc(NC[C@H](O)C[N@H+](C)CCC#N)c(OC)c1F ZINC000819488262 593756573 /nfs/dbraw/zinc/75/65/73/593756573.db2.gz JEZHTEKZBZMPTG-JTQLQIEISA-N 1 2 329.347 1.600 20 30 EDEDLO COc1c(F)cc(NC[C@H](O)C[N@@H+](C)CCC#N)c(OC)c1F ZINC000819488262 593756574 /nfs/dbraw/zinc/75/65/74/593756574.db2.gz JEZHTEKZBZMPTG-JTQLQIEISA-N 1 2 329.347 1.600 20 30 EDEDLO COc1cc(C#N)ccc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000821015033 593945884 /nfs/dbraw/zinc/94/58/84/593945884.db2.gz GWHYUTDLWINVRR-HNNXBMFYSA-N 1 2 329.400 1.504 20 30 EDEDLO C#CCO[C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000822313479 594030010 /nfs/dbraw/zinc/03/00/10/594030010.db2.gz MQNPFCKZZTYUGR-CJNGLKHVSA-N 1 2 327.384 1.673 20 30 EDEDLO C#CCCOc1ccc(C(=O)N2CC[NH+](Cc3cn[nH]c3)CC2)cc1 ZINC000823016764 594137857 /nfs/dbraw/zinc/13/78/57/594137857.db2.gz DPAJMTSSMAAUKC-UHFFFAOYSA-N 1 2 338.411 1.770 20 30 EDEDLO C#CCN(C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000825903784 594273819 /nfs/dbraw/zinc/27/38/19/594273819.db2.gz ROCSWQURQPGQFX-CQSZACIVSA-N 1 2 346.412 1.297 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000830194858 594352949 /nfs/dbraw/zinc/35/29/49/594352949.db2.gz BDLJITFEMOOARM-UHFFFAOYSA-N 1 2 336.388 1.902 20 30 EDEDLO C#CCOCCC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826598362 594536367 /nfs/dbraw/zinc/53/63/67/594536367.db2.gz PVNXMLUAKALVOF-SFHVURJKSA-N 1 2 330.428 1.352 20 30 EDEDLO C#CCOCCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826598362 594536368 /nfs/dbraw/zinc/53/63/68/594536368.db2.gz PVNXMLUAKALVOF-SFHVURJKSA-N 1 2 330.428 1.352 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000826651063 594546900 /nfs/dbraw/zinc/54/69/00/594546900.db2.gz QZFLRHOTAHAGSE-UHFFFAOYSA-N 1 2 327.363 1.389 20 30 EDEDLO C=CCCOCCCCC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827445838 594672892 /nfs/dbraw/zinc/67/28/92/594672892.db2.gz ZDRAAZLGNHPTHK-UHFFFAOYSA-N 1 2 337.508 1.988 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000831690733 594692855 /nfs/dbraw/zinc/69/28/55/594692855.db2.gz CIBLPTFLSXLXMB-HUUCEWRRSA-N 1 2 335.448 1.802 20 30 EDEDLO C[C@@H](ON=C(N)C[NH+]1CCSCC1)C(=O)N1CCc2ccccc21 ZINC000121492675 594846963 /nfs/dbraw/zinc/84/69/63/594846963.db2.gz KOTJSWHFQCDSBW-CYBMUJFWSA-N 1 2 348.472 1.302 20 30 EDEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=S)NCC[NH+]1CCOCC1 ZINC000841485095 594907449 /nfs/dbraw/zinc/90/74/49/594907449.db2.gz NQSHKXXKYXUGOT-QGZVFWFLSA-N 1 2 344.484 1.732 20 30 EDEDLO Cc1nn(C)cc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842025428 595004932 /nfs/dbraw/zinc/00/49/32/595004932.db2.gz VIJNGTLMYPMNQW-UHFFFAOYSA-N 1 2 343.431 1.398 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000837019787 595024750 /nfs/dbraw/zinc/02/47/50/595024750.db2.gz BYNKVRBFCUXAPF-MPGHIAIKSA-N 1 2 339.439 1.567 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000837019787 595024753 /nfs/dbraw/zinc/02/47/53/595024753.db2.gz BYNKVRBFCUXAPF-MPGHIAIKSA-N 1 2 339.439 1.567 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(Cc3cnc4c(C#N)cnn4c3)CC2)S1 ZINC000843395856 595099198 /nfs/dbraw/zinc/09/91/98/595099198.db2.gz RPSHXDURGQUTCM-GFCCVEGCSA-N 1 2 341.444 1.210 20 30 EDEDLO C[C@H](CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)n1cc[nH+]c1 ZINC000845944282 595102652 /nfs/dbraw/zinc/10/26/52/595102652.db2.gz OJDWXCGMJGWPCY-RDBSUJKOSA-N 1 2 347.419 1.709 20 30 EDEDLO N#Cc1cc(Br)ccc1C(=O)OCC[NH+]1CCOCC1 ZINC000837818726 595204960 /nfs/dbraw/zinc/20/49/60/595204960.db2.gz KYCRZDNLBATCIL-UHFFFAOYSA-N 1 2 339.189 1.810 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000834791237 595213162 /nfs/dbraw/zinc/21/31/62/595213162.db2.gz DLXODCNPHSUPFY-CVEARBPZSA-N 1 2 340.427 1.038 20 30 EDEDLO C#CC[C@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)C(=O)OC ZINC000837946520 595235434 /nfs/dbraw/zinc/23/54/34/595235434.db2.gz HUSWMLBQULXCKB-LBPRGKRZSA-N 1 2 335.310 1.304 20 30 EDEDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)COc1cccc(C#N)c1 ZINC000842963076 595244246 /nfs/dbraw/zinc/24/42/46/595244246.db2.gz JKLVVRUFYQRDKL-WMLDXEAASA-N 1 2 348.399 1.216 20 30 EDEDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)COc1cccc(C#N)c1 ZINC000842963076 595244249 /nfs/dbraw/zinc/24/42/49/595244249.db2.gz JKLVVRUFYQRDKL-WMLDXEAASA-N 1 2 348.399 1.216 20 30 EDEDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cc(C)c(C#N)cn1 ZINC000842964908 595246254 /nfs/dbraw/zinc/24/62/54/595246254.db2.gz CWUZHTMGLFQLIX-HIFRSBDPSA-N 1 2 333.388 1.154 20 30 EDEDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cc(C)c(C#N)cn1 ZINC000842964908 595246258 /nfs/dbraw/zinc/24/62/58/595246258.db2.gz CWUZHTMGLFQLIX-HIFRSBDPSA-N 1 2 333.388 1.154 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367266 595331512 /nfs/dbraw/zinc/33/15/12/595331512.db2.gz NECIAGJHLNVMTQ-MRXNPFEDSA-N 1 2 341.415 1.513 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367266 595331514 /nfs/dbraw/zinc/33/15/14/595331514.db2.gz NECIAGJHLNVMTQ-MRXNPFEDSA-N 1 2 341.415 1.513 20 30 EDEDLO COc1cc(C=NNCCCn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000848418893 595376151 /nfs/dbraw/zinc/37/61/51/595376151.db2.gz OFZGEAVUBKXZDP-UHFFFAOYSA-N 1 2 333.348 1.822 20 30 EDEDLO C=CCCn1cc(CO[NH+]=C(N)c2ccc(OC)c(OC)c2)nn1 ZINC000848510372 595399654 /nfs/dbraw/zinc/39/96/54/595399654.db2.gz SXFXUSOSRJHKJI-UHFFFAOYSA-N 1 2 331.376 1.918 20 30 EDEDLO COC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000852768499 595535156 /nfs/dbraw/zinc/53/51/56/595535156.db2.gz VJNQYVVFUPDLFS-LLVKDONJSA-N 1 2 348.403 1.916 20 30 EDEDLO C[C@H](C[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000860093971 595575621 /nfs/dbraw/zinc/57/56/21/595575621.db2.gz FBEBEVSYJRXTEN-IUODEOHRSA-N 1 2 346.431 1.930 20 30 EDEDLO C[C@H](C[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000860093971 595575622 /nfs/dbraw/zinc/57/56/22/595575622.db2.gz FBEBEVSYJRXTEN-IUODEOHRSA-N 1 2 346.431 1.930 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)CC1 ZINC000857686386 595577334 /nfs/dbraw/zinc/57/73/34/595577334.db2.gz XSGUJNMEUDNYKD-QGZVFWFLSA-N 1 2 346.452 1.118 20 30 EDEDLO Cc1[nH+]cc(C=NNC(=S)NCc2ccc3c(c2)OCO3)n1C ZINC000853270259 595724846 /nfs/dbraw/zinc/72/48/46/595724846.db2.gz PTDAIWZMNDZQFA-UHFFFAOYSA-N 1 2 331.401 1.455 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000855495915 595730067 /nfs/dbraw/zinc/73/00/67/595730067.db2.gz AEYRXFHDYXSARH-UHFFFAOYSA-N 1 2 344.402 1.767 20 30 EDEDLO C=CC(C)(C)CCOC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000860874782 595824821 /nfs/dbraw/zinc/82/48/21/595824821.db2.gz JQQNQCNIOLQMEU-GJZGRUSLSA-N 1 2 349.431 1.854 20 30 EDEDLO COC(=O)CCN1CC[C@H](O[NH+]=C(N)c2ccc(Cl)cc2)C1=O ZINC000853646165 595845455 /nfs/dbraw/zinc/84/54/55/595845455.db2.gz NLBUPLWKATYEPS-LBPRGKRZSA-N 1 2 339.779 1.141 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccc(OCC#N)cc1 ZINC000853651369 595846902 /nfs/dbraw/zinc/84/69/02/595846902.db2.gz AYWHXXQPJAZJEJ-CABCVRRESA-N 1 2 346.431 1.497 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1ccc(OCC#N)cc1 ZINC000853651369 595846905 /nfs/dbraw/zinc/84/69/05/595846905.db2.gz AYWHXXQPJAZJEJ-CABCVRRESA-N 1 2 346.431 1.497 20 30 EDEDLO C#CCC(C)(C)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000856077868 595889926 /nfs/dbraw/zinc/88/99/26/595889926.db2.gz ILYPIWZVVZRIST-HXUWFJFHSA-N 1 2 344.455 1.416 20 30 EDEDLO C#CCC(C)(C)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000856077868 595889928 /nfs/dbraw/zinc/88/99/28/595889928.db2.gz ILYPIWZVVZRIST-HXUWFJFHSA-N 1 2 344.455 1.416 20 30 EDEDLO COc1cccc(COC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000858942676 595928234 /nfs/dbraw/zinc/92/82/34/595928234.db2.gz PAKWYUOPZCDPHC-UHFFFAOYSA-N 1 2 347.415 1.880 20 30 EDEDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC000856326917 595954579 /nfs/dbraw/zinc/95/45/79/595954579.db2.gz BHLMJUYEVZNOIO-GOSISDBHSA-N 1 2 327.472 1.968 20 30 EDEDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC000856326917 595954582 /nfs/dbraw/zinc/95/45/82/595954582.db2.gz BHLMJUYEVZNOIO-GOSISDBHSA-N 1 2 327.472 1.968 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CC(C)(c3nnc(-c4cccnc4)o3)C2)C1=O ZINC000854080129 595969300 /nfs/dbraw/zinc/96/93/00/595969300.db2.gz SVNZCCQHFWVLSU-CQSZACIVSA-N 1 2 339.399 1.492 20 30 EDEDLO C#C[C@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)C1CCOCC1 ZINC000851946159 595980798 /nfs/dbraw/zinc/98/07/98/595980798.db2.gz HKXCHOGCQMUNQL-INIZCTEOSA-N 1 2 339.399 1.495 20 30 EDEDLO C=C[C@H](C)ONC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000854220175 596006893 /nfs/dbraw/zinc/00/68/93/596006893.db2.gz NVHCCTZGESQPRL-YJBOKZPZSA-N 1 2 349.431 1.055 20 30 EDEDLO C=C[C@H](C)ONC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000854220175 596006896 /nfs/dbraw/zinc/00/68/96/596006896.db2.gz NVHCCTZGESQPRL-YJBOKZPZSA-N 1 2 349.431 1.055 20 30 EDEDLO CCCCCCCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000859269106 596024304 /nfs/dbraw/zinc/02/43/04/596024304.db2.gz WHYATAQSBFSRCI-UHFFFAOYSA-N 1 2 332.448 1.817 20 30 EDEDLO COC(=O)c1cnc(C2CC[NH+](CC(=O)NCCC#N)CC2)s1 ZINC000859546055 596128213 /nfs/dbraw/zinc/12/82/13/596128213.db2.gz VFGJYNICQMTWGD-UHFFFAOYSA-N 1 2 336.417 1.139 20 30 EDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000859598473 596143001 /nfs/dbraw/zinc/14/30/01/596143001.db2.gz FSYPNONVJKPUER-BZUAXINKSA-N 1 2 346.383 1.018 20 30 EDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000859598473 596143004 /nfs/dbraw/zinc/14/30/04/596143004.db2.gz FSYPNONVJKPUER-BZUAXINKSA-N 1 2 346.383 1.018 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](N3CCOC3=O)C2)cc1Cl ZINC000852435509 596160678 /nfs/dbraw/zinc/16/06/78/596160678.db2.gz PTPGVWBODLXJTJ-ZDUSSCGKSA-N 1 2 348.790 1.677 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](N3CCOC3=O)C2)cc1Cl ZINC000852435509 596160679 /nfs/dbraw/zinc/16/06/79/596160679.db2.gz PTPGVWBODLXJTJ-ZDUSSCGKSA-N 1 2 348.790 1.677 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000122221273 596241480 /nfs/dbraw/zinc/24/14/80/596241480.db2.gz FKUGVNAOEGICDG-UHFFFAOYSA-N 1 2 334.439 1.312 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000862190629 596267254 /nfs/dbraw/zinc/26/72/54/596267254.db2.gz YAUMLHWACNRTSF-AWEZNQCLSA-N 1 2 340.383 1.355 20 30 EDEDLO N#C[C@@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCCOC1 ZINC000864760095 596342273 /nfs/dbraw/zinc/34/22/73/596342273.db2.gz JKXPJTWEEUQZMI-HKUYNNGSSA-N 1 2 343.427 1.496 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 ZINC000122448697 596433311 /nfs/dbraw/zinc/43/33/11/596433311.db2.gz RQGAZKQQFVAXJE-UHFFFAOYSA-N 1 2 327.306 1.414 20 30 EDEDLO C=C(Br)CNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000119152048 596440450 /nfs/dbraw/zinc/44/04/50/596440450.db2.gz AEICQHDULWROEQ-UHFFFAOYSA-N 1 2 332.165 1.926 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000865091338 596471167 /nfs/dbraw/zinc/47/11/67/596471167.db2.gz WHESLZQJINDMIL-CABCVRRESA-N 1 2 342.434 1.656 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000865091338 596471168 /nfs/dbraw/zinc/47/11/68/596471168.db2.gz WHESLZQJINDMIL-CABCVRRESA-N 1 2 342.434 1.656 20 30 EDEDLO COc1ccccc1C[NH+]1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000865147642 596490997 /nfs/dbraw/zinc/49/09/97/596490997.db2.gz IILXEDDILAILTK-LJQANCHMSA-N 1 2 343.427 1.660 20 30 EDEDLO C[C@@H]1C[NH+]=C(NN=C2C(=O)Nc3ccc(OC(F)(F)F)cc32)N1 ZINC000863104829 596502902 /nfs/dbraw/zinc/50/29/02/596502902.db2.gz FRKKHYGRNXLWLP-ZCFIWIBFSA-N 1 2 327.266 1.179 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)cn1 ZINC000865194827 596510228 /nfs/dbraw/zinc/51/02/28/596510228.db2.gz WIRAGNGKPSNSES-UHFFFAOYSA-N 1 2 348.410 1.731 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2N(C)CCC)CC1 ZINC000863364562 596562681 /nfs/dbraw/zinc/56/26/81/596562681.db2.gz QFRPRYVTLWPYOQ-UHFFFAOYSA-N 1 2 328.460 1.722 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2cc(C)on2)CC1 ZINC000871501271 596608029 /nfs/dbraw/zinc/60/80/29/596608029.db2.gz QCKRTWISEAVAKQ-AWEZNQCLSA-N 1 2 342.447 1.892 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 ZINC000865686605 596650552 /nfs/dbraw/zinc/65/05/52/596650552.db2.gz FURFTJBACVHENB-UHFFFAOYSA-N 1 2 326.400 1.834 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)C1=O ZINC000868017194 596656306 /nfs/dbraw/zinc/65/63/06/596656306.db2.gz WUMFVPMRULIUHZ-STQMWFEESA-N 1 2 329.391 1.209 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)C1=O ZINC000868017194 596656308 /nfs/dbraw/zinc/65/63/08/596656308.db2.gz WUMFVPMRULIUHZ-STQMWFEESA-N 1 2 329.391 1.209 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@]23C[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)CC1 ZINC000865794802 596686482 /nfs/dbraw/zinc/68/64/82/596686482.db2.gz HASQBDZBVUSPIX-QMTMVMCOSA-N 1 2 347.459 1.457 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2c3ccccc3C(=O)OC2(C)C)CC1 ZINC000865795018 596686873 /nfs/dbraw/zinc/68/68/73/596686873.db2.gz JJHDJORCMZHYGG-MRXNPFEDSA-N 1 2 326.396 1.497 20 30 EDEDLO COc1c(C)c[nH+]c(CNC(=O)N2CCN(CCC#N)CC2)c1C ZINC000868182781 596713978 /nfs/dbraw/zinc/71/39/78/596713978.db2.gz XRRHMQNSIMNEEI-UHFFFAOYSA-N 1 2 331.420 1.448 20 30 EDEDLO C=C[C@@H](CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000870064720 596732097 /nfs/dbraw/zinc/73/20/97/596732097.db2.gz DKOBKKROHCGTOV-HKUYNNGSSA-N 1 2 344.455 1.906 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)CC2)cc1 ZINC000870093219 596747137 /nfs/dbraw/zinc/74/71/37/596747137.db2.gz CVHVYPQBWSMYAH-HNNXBMFYSA-N 1 2 335.411 1.735 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)CC2)cc1 ZINC000870093219 596747140 /nfs/dbraw/zinc/74/71/40/596747140.db2.gz CVHVYPQBWSMYAH-HNNXBMFYSA-N 1 2 335.411 1.735 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868281455 596762441 /nfs/dbraw/zinc/76/24/41/596762441.db2.gz LCXHJKTURNLVHY-QGZVFWFLSA-N 1 2 342.443 1.435 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868281455 596762443 /nfs/dbraw/zinc/76/24/43/596762443.db2.gz LCXHJKTURNLVHY-QGZVFWFLSA-N 1 2 342.443 1.435 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000864423033 596888649 /nfs/dbraw/zinc/88/86/49/596888649.db2.gz QHEAMWBNWHHUGC-OAHLLOKOSA-N 1 2 338.415 1.675 20 30 EDEDLO CN(C)c1c(C=[NH+]NC2CCC(C)(C)CC2)c(=O)n(C)c(=O)n1C ZINC000872395357 596897829 /nfs/dbraw/zinc/89/78/29/596897829.db2.gz JHXLGYXUWQSYKI-UHFFFAOYSA-N 1 2 335.452 1.042 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1CC2(COC2)CC1=O ZINC000872572069 596970322 /nfs/dbraw/zinc/97/03/22/596970322.db2.gz CVSCNHYCUGWVPG-UHFFFAOYSA-N 1 2 329.400 1.213 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1CC2(COC2)CC1=O ZINC000872572069 596970325 /nfs/dbraw/zinc/97/03/25/596970325.db2.gz CVSCNHYCUGWVPG-UHFFFAOYSA-N 1 2 329.400 1.213 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@H](Cc3ccccc3)CC2=O)C1=O ZINC000872604491 596985904 /nfs/dbraw/zinc/98/59/04/596985904.db2.gz VLNWUJUPCOUQCI-MSOLQXFVSA-N 1 2 341.455 1.754 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@H](Cc3ccccc3)CC2=O)C1=O ZINC000872604491 596985908 /nfs/dbraw/zinc/98/59/08/596985908.db2.gz VLNWUJUPCOUQCI-MSOLQXFVSA-N 1 2 341.455 1.754 20 30 EDEDLO COC[C@@]1(C)CC(=O)N(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000872728235 597048756 /nfs/dbraw/zinc/04/87/56/597048756.db2.gz DLRCVLAJALQWPJ-IBGZPJMESA-N 1 2 342.443 1.523 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000874708317 597152925 /nfs/dbraw/zinc/15/29/25/597152925.db2.gz MIXOUGRFUVRQCQ-INIZCTEOSA-N 1 2 330.432 1.465 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000874708317 597152927 /nfs/dbraw/zinc/15/29/27/597152927.db2.gz MIXOUGRFUVRQCQ-INIZCTEOSA-N 1 2 330.432 1.465 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000874711622 597156786 /nfs/dbraw/zinc/15/67/86/597156786.db2.gz MRQFGKSRFRTUOT-OAHLLOKOSA-N 1 2 326.400 1.880 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000874711622 597156787 /nfs/dbraw/zinc/15/67/87/597156787.db2.gz MRQFGKSRFRTUOT-OAHLLOKOSA-N 1 2 326.400 1.880 20 30 EDEDLO CCn1cc[nH+]c1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000873031670 597165832 /nfs/dbraw/zinc/16/58/32/597165832.db2.gz XUHSNIVKUACHEN-UHFFFAOYSA-N 1 2 339.403 1.201 20 30 EDEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000873911869 597446530 /nfs/dbraw/zinc/44/65/30/597446530.db2.gz LBGFBFOXVGERGO-UHFFFAOYSA-N 1 2 329.335 1.037 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875555582 597476568 /nfs/dbraw/zinc/47/65/68/597476568.db2.gz YYZGGINAJWRSBY-OAGGEKHMSA-N 1 2 325.453 1.378 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875555582 597476572 /nfs/dbraw/zinc/47/65/72/597476572.db2.gz YYZGGINAJWRSBY-OAGGEKHMSA-N 1 2 325.453 1.378 20 30 EDEDLO CN(CCC#N)c1ccc(C[NH+]2CCN([S@@](C)(=N)=O)CC2)cc1 ZINC000877794669 597558169 /nfs/dbraw/zinc/55/81/69/597558169.db2.gz PBBDINOBRVAIFP-HSZRJFAPSA-N 1 2 335.477 1.746 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000878643523 597666287 /nfs/dbraw/zinc/66/62/87/597666287.db2.gz MRBZFBTXHCDLOX-SJLPKXTDSA-N 1 2 348.468 1.794 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000878643523 597666290 /nfs/dbraw/zinc/66/62/90/597666290.db2.gz MRBZFBTXHCDLOX-SJLPKXTDSA-N 1 2 348.468 1.794 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879691732 597688466 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EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000941646850 701610225 /nfs/dbraw/zinc/61/02/25/701610225.db2.gz NYYGALYBOYMAJP-UHFFFAOYSA-N 1 2 331.847 1.805 20 30 EDEDLO Cn1ccc(=O)c(C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)c1 ZINC001031835874 699773594 /nfs/dbraw/zinc/77/35/94/699773594.db2.gz GPIZBCDYYRDCTK-UHFFFAOYSA-N 1 2 336.395 1.119 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3ccc(C)s3)CC2)C1 ZINC000941691142 701635868 /nfs/dbraw/zinc/63/58/68/701635868.db2.gz SUWKYQQOVQUETB-UHFFFAOYSA-N 1 2 331.485 1.451 20 30 EDEDLO Cn1cnnc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940687473 700830370 /nfs/dbraw/zinc/83/03/70/700830370.db2.gz VESIOUONHQTNDJ-AWEZNQCLSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1cnnc1C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940687473 700830372 /nfs/dbraw/zinc/83/03/72/700830372.db2.gz VESIOUONHQTNDJ-AWEZNQCLSA-N 1 2 341.419 1.045 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cnc3n2CCCC3)C1 ZINC001031921744 701066333 /nfs/dbraw/zinc/06/63/33/701066333.db2.gz GOIMWTGKBIDZHW-UHFFFAOYSA-N 1 2 349.438 1.953 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C(C)(C)C1 ZINC000941161349 701225808 /nfs/dbraw/zinc/22/58/08/701225808.db2.gz OSTJQGWFDRYQAF-CZUORRHYSA-N 1 2 329.448 1.150 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C(C)(C)C1 ZINC000941161349 701225811 /nfs/dbraw/zinc/22/58/11/701225811.db2.gz OSTJQGWFDRYQAF-CZUORRHYSA-N 1 2 329.448 1.150 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C(C)(C)C1 ZINC000941161349 701225814 /nfs/dbraw/zinc/22/58/14/701225814.db2.gz OSTJQGWFDRYQAF-CZUORRHYSA-N 1 2 329.448 1.150 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C(C)(C)C1 ZINC000941161349 701225817 /nfs/dbraw/zinc/22/58/17/701225817.db2.gz OSTJQGWFDRYQAF-CZUORRHYSA-N 1 2 329.448 1.150 20 30 EDEDLO O=C(C#CC1CC1)N1CCN(C2C[NH+](Cc3ccsc3)C2)CC1 ZINC000941406529 701520113 /nfs/dbraw/zinc/52/01/13/701520113.db2.gz BORFTZZNWAQKKE-UHFFFAOYSA-N 1 2 329.469 1.490 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3[C@@H](C)CC)CC2)C1 ZINC000941427153 701525957 /nfs/dbraw/zinc/52/59/57/701525957.db2.gz RAWUNXSVHPXZHV-INIZCTEOSA-N 1 2 343.475 1.319 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000941445087 701536552 /nfs/dbraw/zinc/53/65/52/701536552.db2.gz JAYRDYPJVPPHHO-HNNXBMFYSA-N 1 2 344.459 1.719 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3nccc4cccnc43)CC2)C1 ZINC000941440511 701541711 /nfs/dbraw/zinc/54/17/11/701541711.db2.gz KZRAQDUUFKVHAX-UHFFFAOYSA-N 1 2 349.438 1.095 20 30 EDEDLO Cc1nn(C)c(F)c1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032157078 701960641 /nfs/dbraw/zinc/96/06/41/701960641.db2.gz QPKHKYLISTVQEV-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cnns2)[C@@H](C)C1 ZINC000941856763 701971445 /nfs/dbraw/zinc/97/14/45/701971445.db2.gz DNLKEIVLUYQDTL-WCBMZHEXSA-N 1 2 345.266 1.887 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cnns2)[C@@H](C)C1 ZINC000941856763 701971449 /nfs/dbraw/zinc/97/14/49/701971449.db2.gz DNLKEIVLUYQDTL-WCBMZHEXSA-N 1 2 345.266 1.887 20 30 EDEDLO CCn1ncc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)n1 ZINC000941967484 702227773 /nfs/dbraw/zinc/22/77/73/702227773.db2.gz SCPZOJWSXPXDRI-WFASDCNBSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)n1 ZINC000941967484 702227777 /nfs/dbraw/zinc/22/77/77/702227777.db2.gz SCPZOJWSXPXDRI-WFASDCNBSA-N 1 2 341.419 1.138 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)s1 ZINC000941969042 702230961 /nfs/dbraw/zinc/23/09/61/702230961.db2.gz ZXKLWSZWVLABLT-MFKMUULPSA-N 1 2 344.444 1.687 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)s1 ZINC000941969042 702230965 /nfs/dbraw/zinc/23/09/65/702230965.db2.gz ZXKLWSZWVLABLT-MFKMUULPSA-N 1 2 344.444 1.687 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)cn3)C[C@H]2C)nc1 ZINC000944191695 702482425 /nfs/dbraw/zinc/48/24/25/702482425.db2.gz DPBYTXUBEUJECE-WBVHZDCISA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)cn3)C[C@H]2C)nc1 ZINC000944191695 702482429 /nfs/dbraw/zinc/48/24/29/702482429.db2.gz DPBYTXUBEUJECE-WBVHZDCISA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@@H]2C)cn1 ZINC000944214416 702544218 /nfs/dbraw/zinc/54/42/18/702544218.db2.gz LBOPCLNKRKRCME-BLLLJJGKSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)o3)C[C@@H]2C)cn1 ZINC000944214416 702544221 /nfs/dbraw/zinc/54/42/21/702544221.db2.gz LBOPCLNKRKRCME-BLLLJJGKSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3csnn3)C(C)(C)C2)cn1 ZINC000996536157 702849597 /nfs/dbraw/zinc/84/95/97/702849597.db2.gz MDAHOZBEWQNJRD-HNNXBMFYSA-N 1 2 341.440 1.555 20 30 EDEDLO O=C(C#CC1CC1)N1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000996588197 702901970 /nfs/dbraw/zinc/90/19/70/702901970.db2.gz PXTWSLUHYGYLKA-UHFFFAOYSA-N 1 2 334.379 1.226 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nncn3C)C[C@H]2C)cc1 ZINC000942553202 703065263 /nfs/dbraw/zinc/06/52/63/703065263.db2.gz MRYDWOCMMMNVPS-PBHICJAKSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nncn3C)C[C@H]2C)cc1 ZINC000942553202 703065266 /nfs/dbraw/zinc/06/52/66/703065266.db2.gz MRYDWOCMMMNVPS-PBHICJAKSA-N 1 2 337.427 1.437 20 30 EDEDLO N#CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ncccn2)cc1 ZINC001032694759 706724950 /nfs/dbraw/zinc/72/49/50/706724950.db2.gz JHOVQGVFHDZQQC-HOTGVXAUSA-N 1 2 349.394 1.478 20 30 EDEDLO N#CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ncccn2)cc1 ZINC001032694759 706724955 /nfs/dbraw/zinc/72/49/55/706724955.db2.gz JHOVQGVFHDZQQC-HOTGVXAUSA-N 1 2 349.394 1.478 20 30 EDEDLO O=C(c1cc[nH]c(=O)c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032350710 703175035 /nfs/dbraw/zinc/17/50/35/703175035.db2.gz SXCMPYDXGLFVMV-ROUUACIJSA-N 1 2 333.391 1.738 20 30 EDEDLO O=C(c1cc[nH]c(=O)c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032350710 703175037 /nfs/dbraw/zinc/17/50/37/703175037.db2.gz SXCMPYDXGLFVMV-ROUUACIJSA-N 1 2 333.391 1.738 20 30 EDEDLO CCn1nccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032371778 703313762 /nfs/dbraw/zinc/31/37/62/703313762.db2.gz FESWULSWJJLXKZ-IRXDYDNUSA-N 1 2 335.411 1.874 20 30 EDEDLO CCn1nccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032371778 703313764 /nfs/dbraw/zinc/31/37/64/703313764.db2.gz FESWULSWJJLXKZ-IRXDYDNUSA-N 1 2 335.411 1.874 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1OCCCO2 ZINC001032699744 706736445 /nfs/dbraw/zinc/73/64/45/706736445.db2.gz JMFHBUQUTRPZRY-GJZGRUSLSA-N 1 2 326.396 1.770 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1OCCCO2 ZINC001032699744 706736449 /nfs/dbraw/zinc/73/64/49/706736449.db2.gz JMFHBUQUTRPZRY-GJZGRUSLSA-N 1 2 326.396 1.770 20 30 EDEDLO N#Cc1ccccc1CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379171 703352556 /nfs/dbraw/zinc/35/25/56/703352556.db2.gz JGCHUZQHGZWRGT-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)c2cn(C)ccc2=O)CC1 ZINC000997218337 703496265 /nfs/dbraw/zinc/49/62/65/703496265.db2.gz ZPRATALDDJKJRW-CYBMUJFWSA-N 1 2 337.851 1.968 20 30 EDEDLO C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001060815881 703502895 /nfs/dbraw/zinc/50/28/95/703502895.db2.gz RUWGGXNBAQUERJ-BZUAXINKSA-N 1 2 345.447 1.614 20 30 EDEDLO C=C[C@H](C(=O)N1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1)c1ccccc1 ZINC000997242381 703528175 /nfs/dbraw/zinc/52/81/75/703528175.db2.gz HCKWVLSXHAFZNK-INIZCTEOSA-N 1 2 338.411 1.557 20 30 EDEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)C1CCN(CC#N)CC1)C2 ZINC000997649038 703964737 /nfs/dbraw/zinc/96/47/37/703964737.db2.gz NTYNIEUBWGGBLW-SWLSCSKDSA-N 1 2 329.448 1.563 20 30 EDEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)C1CCN(CC#N)CC1)CC2 ZINC000997649038 703964739 /nfs/dbraw/zinc/96/47/39/703964739.db2.gz NTYNIEUBWGGBLW-SWLSCSKDSA-N 1 2 329.448 1.563 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033087258 704160412 /nfs/dbraw/zinc/16/04/12/704160412.db2.gz TZUDGRBYHIVJON-BBWFWOEESA-N 1 2 333.432 1.997 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033087258 704160413 /nfs/dbraw/zinc/16/04/13/704160413.db2.gz TZUDGRBYHIVJON-BBWFWOEESA-N 1 2 333.432 1.997 20 30 EDEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCC#N ZINC000449284634 704173321 /nfs/dbraw/zinc/17/33/21/704173321.db2.gz BQUHALMQEKEBSQ-JTQLQIEISA-N 1 2 340.221 1.966 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001033104249 704280603 /nfs/dbraw/zinc/28/06/03/704280603.db2.gz QZMZRBOGVRBTNN-CABCVRRESA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001033104249 704280604 /nfs/dbraw/zinc/28/06/04/704280604.db2.gz QZMZRBOGVRBTNN-CABCVRRESA-N 1 2 341.883 1.920 20 30 EDEDLO Cc1nonc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032225126 704781230 /nfs/dbraw/zinc/78/12/30/704781230.db2.gz XXUAKBXARHSWPC-UHFFFAOYSA-N 1 2 329.335 1.251 20 30 EDEDLO C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)cc1 ZINC000997886741 704789257 /nfs/dbraw/zinc/78/92/57/704789257.db2.gz OYQAAYJKAKINIA-SQNIBIBYSA-N 1 2 348.406 1.426 20 30 EDEDLO Cc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)n1 ZINC000995684319 705445767 /nfs/dbraw/zinc/44/57/67/705445767.db2.gz ABRSVWQRPOLKHU-QMTHXVAHSA-N 1 2 342.403 1.779 20 30 EDEDLO CC(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998849937 706277526 /nfs/dbraw/zinc/27/75/26/706277526.db2.gz RAAIQGYGDQNXNI-CYBMUJFWSA-N 1 2 342.403 1.787 20 30 EDEDLO Cc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998850575 706277965 /nfs/dbraw/zinc/27/79/65/706277965.db2.gz SUGXLGMIGZAKHB-GXFFZTMASA-N 1 2 328.376 1.533 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3nc(C4CC4)no3)C2)[nH]1 ZINC000998961466 706381149 /nfs/dbraw/zinc/38/11/49/706381149.db2.gz NPSHUCBMVDQRMQ-ZDUSSCGKSA-N 1 2 340.387 1.541 20 30 EDEDLO C=C1CCC(C(=O)NC2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC000999107866 706535948 /nfs/dbraw/zinc/53/59/48/706535948.db2.gz KEFABAGDUGJQNF-AWEZNQCLSA-N 1 2 330.432 1.908 20 30 EDEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001032713674 706882972 /nfs/dbraw/zinc/88/29/72/706882972.db2.gz OXCOHAVGIMAQCZ-GJZGRUSLSA-N 1 2 343.818 1.919 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCO2)CC1 ZINC001005086079 707403490 /nfs/dbraw/zinc/40/34/90/707403490.db2.gz BJMNTUVXRSSOLA-CYBMUJFWSA-N 1 2 331.254 1.997 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001033196934 707412514 /nfs/dbraw/zinc/41/25/14/707412514.db2.gz XBVZEIGROWXRPG-CYBMUJFWSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001033196934 707412518 /nfs/dbraw/zinc/41/25/18/707412518.db2.gz XBVZEIGROWXRPG-CYBMUJFWSA-N 1 2 333.823 1.867 20 30 EDEDLO C=CCN1CC(=O)N(C[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)C1=O ZINC000925368695 707544579 /nfs/dbraw/zinc/54/45/79/707544579.db2.gz DVNYDZZSMIFDIL-QGZVFWFLSA-N 1 2 342.443 1.253 20 30 EDEDLO C=CCN1CC(=O)N(C[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)C1=O ZINC000925368695 707544583 /nfs/dbraw/zinc/54/45/83/707544583.db2.gz DVNYDZZSMIFDIL-QGZVFWFLSA-N 1 2 342.443 1.253 20 30 EDEDLO C=CCC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC001061593765 707620298 /nfs/dbraw/zinc/62/02/98/707620298.db2.gz RULJSCINLDAWEU-OAHLLOKOSA-N 1 2 348.447 1.219 20 30 EDEDLO CC(C)(C(=O)N1CC[C@H](CNc2ccc(C#N)nc2)C1)c1c[nH+]c[nH]1 ZINC001060894550 707643250 /nfs/dbraw/zinc/64/32/50/707643250.db2.gz ODHWGMMZPWZTGG-CYBMUJFWSA-N 1 2 338.415 1.915 20 30 EDEDLO Cc1ccc(C#N)c(NC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001060895198 707654420 /nfs/dbraw/zinc/65/44/20/707654420.db2.gz ZLIRYZBJWWFFII-CQSZACIVSA-N 1 2 338.415 1.498 20 30 EDEDLO CC(C)(C(=O)N1CC[C@@H](CNc2ncccc2C#N)C1)c1c[nH+]c[nH]1 ZINC001060894121 707685963 /nfs/dbraw/zinc/68/59/63/707685963.db2.gz DMFWPWDQALXYFF-ZDUSSCGKSA-N 1 2 338.415 1.915 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CNc2ncc(C#N)cc2F)C1 ZINC001060901919 707705443 /nfs/dbraw/zinc/70/54/43/707705443.db2.gz HVUMBISVWJJKMD-LBPRGKRZSA-N 1 2 342.378 1.627 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CNc2nc(C)ccc2C#N)C1 ZINC001060902964 707715479 /nfs/dbraw/zinc/71/54/79/707715479.db2.gz RQVUHRJHHHONAM-CQSZACIVSA-N 1 2 338.415 1.796 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](CNc2ccncc2C#N)C1 ZINC001060906644 707748621 /nfs/dbraw/zinc/74/86/21/707748621.db2.gz ZKPHMWPMFIIEOS-AWEZNQCLSA-N 1 2 338.415 1.002 20 30 EDEDLO Cc1nsc(NC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1C#N ZINC001060912836 707798090 /nfs/dbraw/zinc/79/80/90/707798090.db2.gz AVQPQROCUOILLL-LLVKDONJSA-N 1 2 330.417 1.549 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)cn3)C2)nn1 ZINC001033486494 707955027 /nfs/dbraw/zinc/95/50/27/707955027.db2.gz MHPUNLXUHIKRDY-HNNXBMFYSA-N 1 2 344.394 1.345 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)nn1 ZINC001033486494 707955029 /nfs/dbraw/zinc/95/50/29/707955029.db2.gz MHPUNLXUHIKRDY-HNNXBMFYSA-N 1 2 344.394 1.345 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001033495454 707990468 /nfs/dbraw/zinc/99/04/68/707990468.db2.gz RRZDHMMLUMLZET-NWDGAFQWSA-N 1 2 344.253 1.096 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001033495454 707990471 /nfs/dbraw/zinc/99/04/71/707990471.db2.gz RRZDHMMLUMLZET-NWDGAFQWSA-N 1 2 344.253 1.096 20 30 EDEDLO N#Cc1cnc(NC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c(F)c1 ZINC001060997972 708132102 /nfs/dbraw/zinc/13/21/02/708132102.db2.gz QQMWFJQEDWNBKM-LLVKDONJSA-N 1 2 328.351 1.319 20 30 EDEDLO C[C@@H](CC(=O)N1CC[C@@H](CNc2ccc(C#N)nn2)C1)n1cc[nH+]c1 ZINC001061001374 708138526 /nfs/dbraw/zinc/13/85/26/708138526.db2.gz LQACJLXVWPLGDN-KBPBESRZSA-N 1 2 339.403 1.456 20 30 EDEDLO CN(C(=O)c1cnon1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033528129 708147331 /nfs/dbraw/zinc/14/73/31/708147331.db2.gz TUTYQRDTNPJLDW-ZDUSSCGKSA-N 1 2 329.335 1.427 20 30 EDEDLO CN(C(=O)c1cnon1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033528129 708147336 /nfs/dbraw/zinc/14/73/36/708147336.db2.gz TUTYQRDTNPJLDW-ZDUSSCGKSA-N 1 2 329.335 1.427 20 30 EDEDLO N#Cc1nccnc1NC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001061026132 708302848 /nfs/dbraw/zinc/30/28/48/708302848.db2.gz ZQZUCFJGOCJMDC-GFCCVEGCSA-N 1 2 347.382 1.799 20 30 EDEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033617590 708345373 /nfs/dbraw/zinc/34/53/73/708345373.db2.gz WHHGSUBYSLDQKM-LJQANCHMSA-N 1 2 336.439 1.677 20 30 EDEDLO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033617590 708345375 /nfs/dbraw/zinc/34/53/75/708345375.db2.gz WHHGSUBYSLDQKM-LJQANCHMSA-N 1 2 336.439 1.677 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001001843704 708348563 /nfs/dbraw/zinc/34/85/63/708348563.db2.gz JMRWCWNIVZNLEB-CABCVRRESA-N 1 2 334.420 1.297 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nc3nccc(C)n3n2)C1 ZINC001033637698 708392923 /nfs/dbraw/zinc/39/29/23/708392923.db2.gz PIVVLSGAEAPFJM-LBPRGKRZSA-N 1 2 334.811 1.332 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nc3nccc(C)n3n2)C1 ZINC001033637698 708392925 /nfs/dbraw/zinc/39/29/25/708392925.db2.gz PIVVLSGAEAPFJM-LBPRGKRZSA-N 1 2 334.811 1.332 20 30 EDEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](CNc2ccncc2C#N)C1 ZINC001061036387 708434006 /nfs/dbraw/zinc/43/40/06/708434006.db2.gz TXWZWDXCXWKIDD-AWEZNQCLSA-N 1 2 338.415 1.002 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001001931281 708437410 /nfs/dbraw/zinc/43/74/10/708437410.db2.gz OQZCJXZPEZTABA-RDJZCZTQSA-N 1 2 348.447 1.687 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC(CNC(=O)c3ncn[nH]3)CC2)cc1F ZINC001001953079 708454530 /nfs/dbraw/zinc/45/45/30/708454530.db2.gz RTOBPRNDLHXEEW-UHFFFAOYSA-N 1 2 342.378 1.457 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC(CNC(=O)c3nc[nH]n3)CC2)cc1F ZINC001001953079 708454532 /nfs/dbraw/zinc/45/45/32/708454532.db2.gz RTOBPRNDLHXEEW-UHFFFAOYSA-N 1 2 342.378 1.457 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N2CCCCC2=O)C1 ZINC001033686202 708501059 /nfs/dbraw/zinc/50/10/59/708501059.db2.gz BJJCLQLWOKQHRN-ZIAGYGMSSA-N 1 2 327.856 1.673 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N2CCCCC2=O)C1 ZINC001033686202 708501060 /nfs/dbraw/zinc/50/10/60/708501060.db2.gz BJJCLQLWOKQHRN-ZIAGYGMSSA-N 1 2 327.856 1.673 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033788170 708697861 /nfs/dbraw/zinc/69/78/61/708697861.db2.gz BAVMOUHPKIQBPI-INIZCTEOSA-N 1 2 340.431 1.665 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033788170 708697862 /nfs/dbraw/zinc/69/78/62/708697862.db2.gz BAVMOUHPKIQBPI-INIZCTEOSA-N 1 2 340.431 1.665 20 30 EDEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)C(C)C)CC2)c1 ZINC001002362259 708857002 /nfs/dbraw/zinc/85/70/02/708857002.db2.gz KDDFONNRZQDVPO-UHFFFAOYSA-N 1 2 327.428 1.843 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](N(CC)C(=O)c3ccns3)C2)C1=O ZINC001033845139 708889972 /nfs/dbraw/zinc/88/99/72/708889972.db2.gz FVDAICFMWKFEHV-UONOGXRCSA-N 1 2 348.472 1.466 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H](N(CC)C(=O)c3ccns3)C2)C1=O ZINC001033845139 708889980 /nfs/dbraw/zinc/88/99/80/708889980.db2.gz FVDAICFMWKFEHV-UONOGXRCSA-N 1 2 348.472 1.466 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2C[C@H]2C(=O)OC)CC1 ZINC001002460739 708984821 /nfs/dbraw/zinc/98/48/21/708984821.db2.gz NEQAVSYBKJJUSM-NWDGAFQWSA-N 1 2 345.237 1.285 20 30 EDEDLO C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001033978307 709184775 /nfs/dbraw/zinc/18/47/75/709184775.db2.gz XOAPAOQWDXAZOX-CYBMUJFWSA-N 1 2 340.445 1.796 20 30 EDEDLO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001033978307 709184777 /nfs/dbraw/zinc/18/47/77/709184777.db2.gz XOAPAOQWDXAZOX-CYBMUJFWSA-N 1 2 340.445 1.796 20 30 EDEDLO Cn1nncc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001002733964 709332338 /nfs/dbraw/zinc/33/23/38/709332338.db2.gz XOQSCGMQJOTGCX-UHFFFAOYSA-N 1 2 342.378 1.220 20 30 EDEDLO N#Cc1cnc(N[C@H]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c(F)c1 ZINC001061135127 709340210 /nfs/dbraw/zinc/34/02/10/709340210.db2.gz CUKSIRSNRCCGDC-OLZOCXBDSA-N 1 2 342.378 1.897 20 30 EDEDLO N#CCOc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccon2)cc1 ZINC001038082726 709351538 /nfs/dbraw/zinc/35/15/38/709351538.db2.gz GLWDAXRNSFUGMQ-AWEZNQCLSA-N 1 2 326.356 1.581 20 30 EDEDLO N#CCOc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccon2)cc1 ZINC001038082726 709351539 /nfs/dbraw/zinc/35/15/39/709351539.db2.gz GLWDAXRNSFUGMQ-AWEZNQCLSA-N 1 2 326.356 1.581 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034173741 709430206 /nfs/dbraw/zinc/43/02/06/709430206.db2.gz WEHHNZOPHXHWCR-AWEZNQCLSA-N 1 2 326.404 1.404 20 30 EDEDLO Cn1ccnc1C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034173741 709430208 /nfs/dbraw/zinc/43/02/08/709430208.db2.gz WEHHNZOPHXHWCR-AWEZNQCLSA-N 1 2 326.404 1.404 20 30 EDEDLO Cc1conc1C[N@@H+]1CCCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034165935 709439747 /nfs/dbraw/zinc/43/97/47/709439747.db2.gz YDZZTOXASCOSKS-AWEZNQCLSA-N 1 2 327.388 1.967 20 30 EDEDLO Cc1conc1C[N@H+]1CCCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034165935 709439748 /nfs/dbraw/zinc/43/97/48/709439748.db2.gz YDZZTOXASCOSKS-AWEZNQCLSA-N 1 2 327.388 1.967 20 30 EDEDLO C[C@H](c1nncn1C)[N@@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171775 709485776 /nfs/dbraw/zinc/48/57/76/709485776.db2.gz ZDRITAHKGHXHHW-OCCSQVGLSA-N 1 2 341.419 1.360 20 30 EDEDLO C[C@H](c1nncn1C)[N@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171775 709485778 /nfs/dbraw/zinc/48/57/78/709485778.db2.gz ZDRITAHKGHXHHW-OCCSQVGLSA-N 1 2 341.419 1.360 20 30 EDEDLO Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)no1 ZINC001034172409 709487441 /nfs/dbraw/zinc/48/74/41/709487441.db2.gz GGGAAKKYQWBORF-AWEZNQCLSA-N 1 2 327.388 1.967 20 30 EDEDLO Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)no1 ZINC001034172409 709487444 /nfs/dbraw/zinc/48/74/44/709487444.db2.gz GGGAAKKYQWBORF-AWEZNQCLSA-N 1 2 327.388 1.967 20 30 EDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCCCN(CC#N)C2)[nH]n1 ZINC001034216176 709570752 /nfs/dbraw/zinc/57/07/52/709570752.db2.gz FGXVKZNLEOOMAV-CZUORRHYSA-N 1 2 330.436 1.284 20 30 EDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCCCN(CC#N)C2)[nH]n1 ZINC001034216176 709570754 /nfs/dbraw/zinc/57/07/54/709570754.db2.gz FGXVKZNLEOOMAV-CZUORRHYSA-N 1 2 330.436 1.284 20 30 EDEDLO CN(c1ccnc(C#N)n1)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001061203715 709651971 /nfs/dbraw/zinc/65/19/71/709651971.db2.gz NKIJOXPQZHXVFG-CYBMUJFWSA-N 1 2 339.403 1.131 20 30 EDEDLO CN(c1ccc(C#N)nc1)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001061220659 709786661 /nfs/dbraw/zinc/78/66/61/709786661.db2.gz JPTGKAGNPSTCBG-INIZCTEOSA-N 1 2 338.415 1.357 20 30 EDEDLO C#CC[N@H+]1CCCC[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001034404747 709952639 /nfs/dbraw/zinc/95/26/39/709952639.db2.gz LIBMOAHUGGYRRX-HNNXBMFYSA-N 1 2 330.432 1.488 20 30 EDEDLO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001034404747 709952640 /nfs/dbraw/zinc/95/26/40/709952640.db2.gz LIBMOAHUGGYRRX-HNNXBMFYSA-N 1 2 330.432 1.488 20 30 EDEDLO C#Cc1cncc(C(=O)N2CCC[C@H](N(C)c3cc[nH+]c(C)n3)C2)c1 ZINC001061262713 710353539 /nfs/dbraw/zinc/35/35/39/710353539.db2.gz GUPWENIVBGJRPG-KRWDZBQOSA-N 1 2 335.411 1.902 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC001003535454 710405569 /nfs/dbraw/zinc/40/55/69/710405569.db2.gz AERPJSKGTKEDNI-IAGOWNOFSA-N 1 2 348.406 1.383 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC001003535454 710405570 /nfs/dbraw/zinc/40/55/70/710405570.db2.gz AERPJSKGTKEDNI-IAGOWNOFSA-N 1 2 348.406 1.383 20 30 EDEDLO CN1CC(C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)=NC1=O ZINC001003564014 710420422 /nfs/dbraw/zinc/42/04/22/710420422.db2.gz OFGCRWXCEYZCPX-UHFFFAOYSA-N 1 2 338.411 1.372 20 30 EDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000922241004 710498981 /nfs/dbraw/zinc/49/89/81/710498981.db2.gz GSOMXPCRTGXGJH-WMZOPIPTSA-N 1 2 342.443 1.956 20 30 EDEDLO CN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032923018 710800381 /nfs/dbraw/zinc/80/03/81/710800381.db2.gz BCJKIPJXYXGKAY-CQSZACIVSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032923018 710800385 /nfs/dbraw/zinc/80/03/85/710800385.db2.gz BCJKIPJXYXGKAY-CQSZACIVSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032923018 710800391 /nfs/dbraw/zinc/80/03/91/710800391.db2.gz BCJKIPJXYXGKAY-CQSZACIVSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032923018 710800395 /nfs/dbraw/zinc/80/03/95/710800395.db2.gz BCJKIPJXYXGKAY-CQSZACIVSA-N 1 2 327.363 1.767 20 30 EDEDLO CCn1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001032986367 711145882 /nfs/dbraw/zinc/14/58/82/711145882.db2.gz MRAVNDSSZCCVBB-OAHLLOKOSA-N 1 2 326.404 1.449 20 30 EDEDLO CCn1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001032986367 711145886 /nfs/dbraw/zinc/14/58/86/711145886.db2.gz MRAVNDSSZCCVBB-OAHLLOKOSA-N 1 2 326.404 1.449 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)Cn2cncn2)CC1 ZINC001004102042 711461879 /nfs/dbraw/zinc/46/18/79/711461879.db2.gz JTJAOTJUSIQQCO-UHFFFAOYSA-N 1 2 342.378 1.070 20 30 EDEDLO CCc1nn(C)cc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004464293 711842092 /nfs/dbraw/zinc/84/20/92/711842092.db2.gz NLXCXZZKENERFA-KRWDZBQOSA-N 1 2 329.448 1.823 20 30 EDEDLO CCc1nn(C)cc1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004464293 711842093 /nfs/dbraw/zinc/84/20/93/711842093.db2.gz NLXCXZZKENERFA-KRWDZBQOSA-N 1 2 329.448 1.823 20 30 EDEDLO C[NH+](C)Cc1cc(C(=O)N2CCC([C@@H]3CCCN3CC#N)CC2)no1 ZINC001004473795 711850501 /nfs/dbraw/zinc/85/05/01/711850501.db2.gz LVGYYVQYPBRAFJ-KRWDZBQOSA-N 1 2 345.447 1.576 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cncc(C(N)=O)c2)CC1 ZINC001004615535 712075192 /nfs/dbraw/zinc/07/51/92/712075192.db2.gz HNNMLRKGNCIWKZ-INIZCTEOSA-N 1 2 341.415 1.021 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cncc(C(N)=O)c2)CC1 ZINC001004615535 712075194 /nfs/dbraw/zinc/07/51/94/712075194.db2.gz HNNMLRKGNCIWKZ-INIZCTEOSA-N 1 2 341.415 1.021 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001033164127 712268562 /nfs/dbraw/zinc/26/85/62/712268562.db2.gz CLYZJRGARSJRBT-GJZGRUSLSA-N 1 2 349.866 1.731 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC001033164127 712268563 /nfs/dbraw/zinc/26/85/63/712268563.db2.gz CLYZJRGARSJRBT-GJZGRUSLSA-N 1 2 349.866 1.731 20 30 EDEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)Cc1ccccc1F ZINC000056312496 214369173 /nfs/dbraw/zinc/36/91/73/214369173.db2.gz QRJZXZNREZGJLB-CYBMUJFWSA-N 1 2 337.395 1.674 20 30 EDEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)Cc1ccccc1F ZINC000056312496 214369176 /nfs/dbraw/zinc/36/91/76/214369176.db2.gz QRJZXZNREZGJLB-CYBMUJFWSA-N 1 2 337.395 1.674 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CCC(C[NH+](C)C)CC2)cc1C#N ZINC000358443582 295688397 /nfs/dbraw/zinc/68/83/97/295688397.db2.gz KPNKMWSWXBOJHU-UHFFFAOYSA-N 1 2 334.445 1.795 20 30 EDEDLO C=CCNC(=O)C[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000064961912 214817315 /nfs/dbraw/zinc/81/73/15/214817315.db2.gz SZZMBSSYCLSTRS-UHFFFAOYSA-N 1 2 340.445 1.093 20 30 EDEDLO C=CCNC(=O)C[N@@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000064961912 214817318 /nfs/dbraw/zinc/81/73/18/214817318.db2.gz SZZMBSSYCLSTRS-UHFFFAOYSA-N 1 2 340.445 1.093 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](C)c3ncc(C)o3)C2)CC1 ZINC000329301404 539426628 /nfs/dbraw/zinc/42/66/28/539426628.db2.gz WEDBVMSSYOQPFT-LSDHHAIUSA-N 1 2 335.452 1.670 20 30 EDEDLO C[C@@H](CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)NC(=O)C1CCCC1 ZINC000329263860 539423539 /nfs/dbraw/zinc/42/35/39/539423539.db2.gz DOLFFUZLJFEDRA-AWEZNQCLSA-N 1 2 347.463 1.979 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCO[C@H](Cn2cccn2)C1 ZINC000329481367 539439507 /nfs/dbraw/zinc/43/95/07/539439507.db2.gz RESKSNUBCJPPTE-HNNXBMFYSA-N 1 2 344.419 1.231 20 30 EDEDLO CCC1(CC)[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)[C@H](C)[C@@H]1OC ZINC000329126179 282397471 /nfs/dbraw/zinc/39/74/71/282397471.db2.gz UCORADLWENSZET-NPJQDHAYSA-N 1 2 339.480 1.755 20 30 EDEDLO CCC1(CC)[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)[C@H](C)[C@@H]1OC ZINC000329126179 282397474 /nfs/dbraw/zinc/39/74/74/282397474.db2.gz UCORADLWENSZET-NPJQDHAYSA-N 1 2 339.480 1.755 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccccc3OC(F)F)C[C@H]21 ZINC000329968092 539482390 /nfs/dbraw/zinc/48/23/90/539482390.db2.gz SXVZAJAYHVWDOV-TZMCWYRMSA-N 1 2 341.358 1.891 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccccc3OC(F)F)C[C@H]21 ZINC000329968092 539482396 /nfs/dbraw/zinc/48/23/96/539482396.db2.gz SXVZAJAYHVWDOV-TZMCWYRMSA-N 1 2 341.358 1.891 20 30 EDEDLO CC(C)(C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1c[nH+]c[nH]1 ZINC000561099128 306282366 /nfs/dbraw/zinc/28/23/66/306282366.db2.gz ANUUWYXTGMEIMW-ZDUSSCGKSA-N 1 2 325.372 1.634 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000174572201 237286733 /nfs/dbraw/zinc/28/67/33/237286733.db2.gz XVHNPTURMJQFON-IBGZPJMESA-N 1 2 328.460 1.591 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1noc(-c2ccsc2)n1 ZINC000177028056 237370312 /nfs/dbraw/zinc/37/03/12/237370312.db2.gz YVVRJOMRIZQRFO-UHFFFAOYSA-N 1 2 347.444 1.846 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000273384898 201256260 /nfs/dbraw/zinc/25/62/60/201256260.db2.gz GQJNZORDJZCALS-SJORKVTESA-N 1 2 333.432 1.124 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000273384898 201256264 /nfs/dbraw/zinc/25/62/64/201256264.db2.gz GQJNZORDJZCALS-SJORKVTESA-N 1 2 333.432 1.124 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3cnccn3)n(CC)c2=S)CC1 ZINC000151747679 204039926 /nfs/dbraw/zinc/03/99/26/204039926.db2.gz HKKXWNRMGDGSSN-UHFFFAOYSA-N 1 2 343.460 1.099 20 30 EDEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101728673 204019548 /nfs/dbraw/zinc/01/95/48/204019548.db2.gz MLQXYCYFZCAAFJ-WBVHZDCISA-N 1 2 342.443 1.364 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000110921230 204327909 /nfs/dbraw/zinc/32/79/09/204327909.db2.gz SXKANOFICDFNQP-OAHLLOKOSA-N 1 2 331.416 1.506 20 30 EDEDLO N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000156949013 206108322 /nfs/dbraw/zinc/10/83/22/206108322.db2.gz BCKIXUBPQCEQGT-UHFFFAOYSA-N 1 2 334.376 1.920 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[NH+](CCNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000159604889 206254369 /nfs/dbraw/zinc/25/43/69/206254369.db2.gz PZOHYPWSSUDJFV-UHFFFAOYSA-N 1 2 347.419 1.169 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](OCCO)C2)C1=O ZINC000246432145 139108222 /nfs/dbraw/zinc/10/82/22/139108222.db2.gz LLYXFJHKOZUDRF-KGLIPLIRSA-N 1 2 335.429 1.198 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](OCCO)C2)C1=O ZINC000246432145 139108223 /nfs/dbraw/zinc/10/82/23/139108223.db2.gz LLYXFJHKOZUDRF-KGLIPLIRSA-N 1 2 335.429 1.198 20 30 EDEDLO CC(C)Oc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000355329460 250111624 /nfs/dbraw/zinc/11/16/24/250111624.db2.gz ZKVOLTCTYWCVQB-UHFFFAOYSA-N 1 2 346.431 1.557 20 30 EDEDLO CCC(CC)[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000361202105 250172058 /nfs/dbraw/zinc/17/20/58/250172058.db2.gz PLRUDPIGESSKIY-QZTJIDSGSA-N 1 2 348.491 1.322 20 30 EDEDLO CC[C@@H]1C[C@@H](CC(=O)N(CCC#N)CC[NH+]2CCOCC2)CCO1 ZINC000359025827 250149996 /nfs/dbraw/zinc/14/99/96/250149996.db2.gz AOSQZSTWICCBBR-DLBZAZTESA-N 1 2 337.464 1.656 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCO[C@@]2(CCCOC2)C1)C1(C#N)CCCCC1 ZINC000367142991 250193157 /nfs/dbraw/zinc/19/31/57/250193157.db2.gz DBUIQKITDHDMEG-SFHVURJKSA-N 1 2 335.448 1.553 20 30 EDEDLO CN(C(=O)C[N@H+]1CCO[C@@]2(CCCOC2)C1)C1(C#N)CCCCC1 ZINC000367142991 250193161 /nfs/dbraw/zinc/19/31/61/250193161.db2.gz DBUIQKITDHDMEG-SFHVURJKSA-N 1 2 335.448 1.553 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362090083 250177588 /nfs/dbraw/zinc/17/75/88/250177588.db2.gz LRSDWFZVADGZEQ-HECSKWOVSA-N 1 2 337.485 1.996 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000362090083 250177591 /nfs/dbraw/zinc/17/75/91/250177591.db2.gz LRSDWFZVADGZEQ-HECSKWOVSA-N 1 2 337.485 1.996 20 30 EDEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000373670307 250242848 /nfs/dbraw/zinc/24/28/48/250242848.db2.gz AMRSWSJNLJBLAH-CYBMUJFWSA-N 1 2 334.379 1.678 20 30 EDEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)[C@H](C)C#N)CC2)s1 ZINC000416400169 251066176 /nfs/dbraw/zinc/06/61/76/251066176.db2.gz JKFKYIDPYXHZFN-GFCCVEGCSA-N 1 2 327.475 1.670 20 30 EDEDLO CN(C)C(=O)c1ccccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000417705589 251236405 /nfs/dbraw/zinc/23/64/05/251236405.db2.gz UUHPXDMYZDDERY-UHFFFAOYSA-N 1 2 344.459 1.436 20 30 EDEDLO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000424128586 252134424 /nfs/dbraw/zinc/13/44/24/252134424.db2.gz RPAOHXTWFXHNAY-CABCVRRESA-N 1 2 349.504 1.943 20 30 EDEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000488732228 255051675 /nfs/dbraw/zinc/05/16/75/255051675.db2.gz JXBIWRNSRWVSFD-AWEZNQCLSA-N 1 2 340.431 1.905 20 30 EDEDLO C=CCn1cccc1C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000488732228 255051676 /nfs/dbraw/zinc/05/16/76/255051676.db2.gz JXBIWRNSRWVSFD-AWEZNQCLSA-N 1 2 340.431 1.905 20 30 EDEDLO CN(C)c1ccc(CNS(=O)(=O)c2ccc(C#N)c(F)c2)c[nH+]1 ZINC000489115277 255065086 /nfs/dbraw/zinc/06/50/86/255065086.db2.gz JDPNGKMXWKOESC-UHFFFAOYSA-N 1 2 334.376 1.637 20 30 EDEDLO N#Cc1ccc(C(=O)CNC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000488352292 255043052 /nfs/dbraw/zinc/04/30/52/255043052.db2.gz SAIOXALSMGWVNZ-UHFFFAOYSA-N 1 2 338.367 1.755 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000491817641 255149704 /nfs/dbraw/zinc/14/97/04/255149704.db2.gz YVYOKKBUWWLCSY-CRAIPNDOSA-N 1 2 343.427 1.946 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)/C=C/c1c(Cl)nc2ccccn21 ZINC000493438938 255208268 /nfs/dbraw/zinc/20/82/68/255208268.db2.gz ZOMFEKWSNIVDBD-WAVCKPEOSA-N 1 2 331.807 1.961 20 30 EDEDLO COCC[N@H+](CC(=O)NCC#N)Cc1cc(Br)cs1 ZINC000494069320 255234637 /nfs/dbraw/zinc/23/46/37/255234637.db2.gz OFEGLMNFXCHHLB-UHFFFAOYSA-N 1 2 346.250 1.599 20 30 EDEDLO COCC[N@@H+](CC(=O)NCC#N)Cc1cc(Br)cs1 ZINC000494069320 255234638 /nfs/dbraw/zinc/23/46/38/255234638.db2.gz OFEGLMNFXCHHLB-UHFFFAOYSA-N 1 2 346.250 1.599 20 30 EDEDLO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cn1cccc(C#N)c1=O ZINC000495191426 255272094 /nfs/dbraw/zinc/27/20/94/255272094.db2.gz RBJCZHAJWDALKQ-KBPBESRZSA-N 1 2 346.431 1.913 20 30 EDEDLO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cn1cccc(C#N)c1=O ZINC000495191426 255272095 /nfs/dbraw/zinc/27/20/95/255272095.db2.gz RBJCZHAJWDALKQ-KBPBESRZSA-N 1 2 346.431 1.913 20 30 EDEDLO C=CCNC(=O)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494245694 255243385 /nfs/dbraw/zinc/24/33/85/255243385.db2.gz UITALJQKDGPFGD-UHFFFAOYSA-N 1 2 333.251 1.607 20 30 EDEDLO C=CCNC(=O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494245694 255243386 /nfs/dbraw/zinc/24/33/86/255243386.db2.gz UITALJQKDGPFGD-UHFFFAOYSA-N 1 2 333.251 1.607 20 30 EDEDLO C=C(C)CCNC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496776767 255425485 /nfs/dbraw/zinc/42/54/85/255425485.db2.gz KIZZUYNJJWBBBC-UHFFFAOYSA-N 1 2 340.468 1.805 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000571162971 306559081 /nfs/dbraw/zinc/55/90/81/306559081.db2.gz QISRBIGSXGIAHI-UHFFFAOYSA-N 1 2 326.360 1.061 20 30 EDEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@@H]2CN(C)c2nccnc2C#N)on1 ZINC000340125537 142273847 /nfs/dbraw/zinc/27/38/47/142273847.db2.gz JARWIVJSZRQPBY-QWHCGFSZSA-N 1 2 330.367 1.694 20 30 EDEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@@H]2CN(C)c2nccnc2C#N)on1 ZINC000340125537 142273848 /nfs/dbraw/zinc/27/38/48/142273848.db2.gz JARWIVJSZRQPBY-QWHCGFSZSA-N 1 2 330.367 1.694 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000353332914 149368220 /nfs/dbraw/zinc/36/82/20/149368220.db2.gz RADCADJXDGDYON-UONOGXRCSA-N 1 2 345.378 1.834 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000353332914 149368222 /nfs/dbraw/zinc/36/82/22/149368222.db2.gz RADCADJXDGDYON-UONOGXRCSA-N 1 2 345.378 1.834 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Cc2c(F)cccc2C#N)CCN1C ZINC000354947969 150049631 /nfs/dbraw/zinc/04/96/31/150049631.db2.gz HPEIIWAXZAZEHY-INIZCTEOSA-N 1 2 341.390 1.489 20 30 EDEDLO CCOc1cccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)n1 ZINC000354997410 150070143 /nfs/dbraw/zinc/07/01/43/150070143.db2.gz ZTEFQNHNYNCROH-AWEZNQCLSA-N 1 2 338.415 1.853 20 30 EDEDLO CCOc1cccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)n1 ZINC000354997410 150070145 /nfs/dbraw/zinc/07/01/45/150070145.db2.gz ZTEFQNHNYNCROH-AWEZNQCLSA-N 1 2 338.415 1.853 20 30 EDEDLO CC(C)S(=O)(=O)CCC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355099114 150116113 /nfs/dbraw/zinc/11/61/13/150116113.db2.gz MQLBPUBNUIZRBW-UHFFFAOYSA-N 1 2 336.461 1.289 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2Cn2cncn2)c1 ZINC000363502285 152985791 /nfs/dbraw/zinc/98/57/91/152985791.db2.gz JXXSCOLCFVVGGB-OAHLLOKOSA-N 1 2 345.428 1.088 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2Cn2cncn2)c1 ZINC000363502285 152985793 /nfs/dbraw/zinc/98/57/93/152985793.db2.gz JXXSCOLCFVVGGB-OAHLLOKOSA-N 1 2 345.428 1.088 20 30 EDEDLO N#Cc1cccnc1N1CCN(c2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000363834559 153070561 /nfs/dbraw/zinc/07/05/61/153070561.db2.gz RJUMNXFCIIBCPW-UHFFFAOYSA-N 1 2 331.383 1.861 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)nc1)C1CCOCC1 ZINC000367492571 154148035 /nfs/dbraw/zinc/14/80/35/154148035.db2.gz IPJCQKLCGYGHOI-HNNXBMFYSA-N 1 2 325.372 1.584 20 30 EDEDLO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000367833780 154291336 /nfs/dbraw/zinc/29/13/36/154291336.db2.gz SMANSFPUWIOVNZ-OAHLLOKOSA-N 1 2 346.456 1.995 20 30 EDEDLO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000367833780 154291340 /nfs/dbraw/zinc/29/13/40/154291340.db2.gz SMANSFPUWIOVNZ-OAHLLOKOSA-N 1 2 346.456 1.995 20 30 EDEDLO CS(=O)(=O)CC[C@H]1CCCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000367833780 154291341 /nfs/dbraw/zinc/29/13/41/154291341.db2.gz SMANSFPUWIOVNZ-OAHLLOKOSA-N 1 2 346.456 1.995 20 30 EDEDLO Cc1[nH+]c2n(c1CN1CCN(c3cnc(C#N)cn3)CC1)CCCC2 ZINC000368922305 154785039 /nfs/dbraw/zinc/78/50/39/154785039.db2.gz XKEAETXBEIIAFB-UHFFFAOYSA-N 1 2 337.431 1.512 20 30 EDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[N@H+]1C ZINC000408084879 158261764 /nfs/dbraw/zinc/26/17/64/158261764.db2.gz UPPNSQDXBZCPJB-MNOVXSKESA-N 1 2 338.389 1.180 20 30 EDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC[N@@H+]1C ZINC000408084879 158261767 /nfs/dbraw/zinc/26/17/67/158261767.db2.gz UPPNSQDXBZCPJB-MNOVXSKESA-N 1 2 338.389 1.180 20 30 EDEDLO CCOC(=O)COCC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000352200448 162045384 /nfs/dbraw/zinc/04/53/84/162045384.db2.gz LBVOEAQCQXCTOO-UHFFFAOYSA-N 1 2 338.433 1.025 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000352245432 162070147 /nfs/dbraw/zinc/07/01/47/162070147.db2.gz ALVMYAPHYUNTHZ-UHFFFAOYSA-N 1 2 339.380 1.617 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000352583498 162258205 /nfs/dbraw/zinc/25/82/05/162258205.db2.gz PJXHYBPUUXQLHO-ZDUSSCGKSA-N 1 2 333.407 1.812 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000352583498 162258206 /nfs/dbraw/zinc/25/82/06/162258206.db2.gz PJXHYBPUUXQLHO-ZDUSSCGKSA-N 1 2 333.407 1.812 20 30 EDEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000121161038 287368994 /nfs/dbraw/zinc/36/89/94/287368994.db2.gz MLCMQWQNPFZTAK-CYBMUJFWSA-N 1 2 347.419 1.167 20 30 EDEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000121161038 287368998 /nfs/dbraw/zinc/36/89/98/287368998.db2.gz MLCMQWQNPFZTAK-CYBMUJFWSA-N 1 2 347.419 1.167 20 30 EDEDLO CCc1nc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cs1 ZINC000514668332 270014978 /nfs/dbraw/zinc/01/49/78/270014978.db2.gz FJQAWOYBILILFK-UHFFFAOYSA-N 1 2 336.442 1.536 20 30 EDEDLO CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CC(=O)N(C)C1=O ZINC000282522352 266044205 /nfs/dbraw/zinc/04/42/05/266044205.db2.gz POTXECJYOMFFAB-ZDUSSCGKSA-N 1 2 346.387 1.176 20 30 EDEDLO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CC(=O)N(C)C1=O ZINC000282522352 266044206 /nfs/dbraw/zinc/04/42/06/266044206.db2.gz POTXECJYOMFFAB-ZDUSSCGKSA-N 1 2 346.387 1.176 20 30 EDEDLO CC[N@@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000298816231 266144342 /nfs/dbraw/zinc/14/43/42/266144342.db2.gz QTQUKBNIWPFJBK-MRXNPFEDSA-N 1 2 349.456 1.074 20 30 EDEDLO CC[N@H+]1CCC[C@@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000298816231 266144348 /nfs/dbraw/zinc/14/43/48/266144348.db2.gz QTQUKBNIWPFJBK-MRXNPFEDSA-N 1 2 349.456 1.074 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301356465 267129942 /nfs/dbraw/zinc/12/99/42/267129942.db2.gz ORQMIRMBAKHRAC-CQSZACIVSA-N 1 2 349.438 1.896 20 30 EDEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000411154326 267147433 /nfs/dbraw/zinc/14/74/33/267147433.db2.gz LVPRNRBIZVBOEU-CQSZACIVSA-N 1 2 332.429 1.557 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292375498 267253878 /nfs/dbraw/zinc/25/38/78/267253878.db2.gz YWNSLTANUYBYKZ-CRAIPNDOSA-N 1 2 339.399 1.215 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292375498 267253879 /nfs/dbraw/zinc/25/38/79/267253879.db2.gz YWNSLTANUYBYKZ-CRAIPNDOSA-N 1 2 339.399 1.215 20 30 EDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(c2cc(C#N)ccn2)CCO1 ZINC000418932684 267299343 /nfs/dbraw/zinc/29/93/43/267299343.db2.gz GZIOXGOUFCYMMF-OAHLLOKOSA-N 1 2 346.431 1.432 20 30 EDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(c2cc(C#N)ccn2)CCO1 ZINC000418932684 267299346 /nfs/dbraw/zinc/29/93/46/267299346.db2.gz GZIOXGOUFCYMMF-OAHLLOKOSA-N 1 2 346.431 1.432 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)n1 ZINC000288054636 267314626 /nfs/dbraw/zinc/31/46/26/267314626.db2.gz UQEHGMKRROHINX-UHFFFAOYSA-N 1 2 342.447 1.228 20 30 EDEDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C#N)n3)CC2)on1 ZINC000302709540 267324097 /nfs/dbraw/zinc/32/40/97/267324097.db2.gz HPSMCBUEEDKXMT-UHFFFAOYSA-N 1 2 328.332 1.480 20 30 EDEDLO Cc1cc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)ccc1C#N ZINC000443876479 268018116 /nfs/dbraw/zinc/01/81/16/268018116.db2.gz HMEOUMIRCHTHCO-UHFFFAOYSA-N 1 2 326.381 1.993 20 30 EDEDLO N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000193941232 268066476 /nfs/dbraw/zinc/06/64/76/268066476.db2.gz FVIZYBNHTRLYEP-UHFFFAOYSA-N 1 2 345.362 1.999 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285450721 268068339 /nfs/dbraw/zinc/06/83/39/268068339.db2.gz YLDWYEMPYDYGME-SFHVURJKSA-N 1 2 329.400 1.056 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285450721 268068340 /nfs/dbraw/zinc/06/83/40/268068340.db2.gz YLDWYEMPYDYGME-SFHVURJKSA-N 1 2 329.400 1.056 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3cnc(C)cn3)CC2)c1C#N ZINC000515744663 268091514 /nfs/dbraw/zinc/09/15/14/268091514.db2.gz ROWFJJDUXSUPCZ-CQSZACIVSA-N 1 2 325.420 1.582 20 30 EDEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000443722897 268179986 /nfs/dbraw/zinc/17/99/86/268179986.db2.gz WHSBRMQNDPGEQK-UHFFFAOYSA-N 1 2 333.335 1.561 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c1 ZINC000276929678 273169728 /nfs/dbraw/zinc/16/97/28/273169728.db2.gz QNVLRLLNHOSBDC-UHFFFAOYSA-N 1 2 345.200 1.962 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@H+]2CCc3n[nH]c(=O)cc3C2)c1 ZINC000276929678 273169729 /nfs/dbraw/zinc/16/97/29/273169729.db2.gz QNVLRLLNHOSBDC-UHFFFAOYSA-N 1 2 345.200 1.962 20 30 EDEDLO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000337876732 273487215 /nfs/dbraw/zinc/48/72/15/273487215.db2.gz ZGMGWKYPXINCAE-HNNXBMFYSA-N 1 2 343.431 1.943 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC000496271199 275519966 /nfs/dbraw/zinc/51/99/66/275519966.db2.gz FFAHFHPBEVLEAO-INIZCTEOSA-N 1 2 347.459 1.553 20 30 EDEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000106503971 276200015 /nfs/dbraw/zinc/20/00/15/276200015.db2.gz RTBWAXZPVORFEG-KRWDZBQOSA-N 1 2 327.432 1.802 20 30 EDEDLO CCc1ccc(C#CC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000293760433 276686933 /nfs/dbraw/zinc/68/69/33/276686933.db2.gz XRSJHRNIYKMZHD-APWZRJJASA-N 1 2 326.440 1.922 20 30 EDEDLO C=CCn1cc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])nn1 ZINC000424166350 276913350 /nfs/dbraw/zinc/91/33/50/276913350.db2.gz APLSIZQSYHHJFJ-UHFFFAOYSA-N 1 2 333.348 1.679 20 30 EDEDLO Cn1c[nH+]c2c1CCN([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000371494136 279386573 /nfs/dbraw/zinc/38/65/73/279386573.db2.gz XGDFNEKHBDLINH-GOSISDBHSA-N 1 2 335.411 1.845 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC3(CCOC3=O)CC2)C1=O ZINC000370228656 294985273 /nfs/dbraw/zinc/98/52/73/294985273.db2.gz YBLJCJVDGCDUJD-ZDUSSCGKSA-N 1 2 345.424 1.754 20 30 EDEDLO N#Cc1cccc(F)c1CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000352738128 303815331 /nfs/dbraw/zinc/81/53/31/303815331.db2.gz SDVJMZYSELIOFQ-INIZCTEOSA-N 1 2 345.418 1.953 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000543643842 306066340 /nfs/dbraw/zinc/06/63/40/306066340.db2.gz WJSVVYGSMDUFAW-UHFFFAOYSA-N 1 2 343.818 1.903 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)nc1 ZINC000557473519 306228160 /nfs/dbraw/zinc/22/81/60/306228160.db2.gz AXBFSEXPONVNAI-KBPBESRZSA-N 1 2 337.383 1.776 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)CCN1C(=O)c1cnn(C)c1 ZINC000449761786 447391421 /nfs/dbraw/zinc/39/14/21/447391421.db2.gz AYDTUYRNIJONQU-LBPRGKRZSA-N 1 2 329.429 1.700 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCN1C(=O)c1cnn(C)c1 ZINC000449761786 447391428 /nfs/dbraw/zinc/39/14/28/447391428.db2.gz AYDTUYRNIJONQU-LBPRGKRZSA-N 1 2 329.429 1.700 20 30 EDEDLO CNC(=O)C[N@@H+]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000378353326 447420791 /nfs/dbraw/zinc/42/07/91/447420791.db2.gz XCVZLEGGHRWFGN-OAHLLOKOSA-N 1 2 330.432 1.231 20 30 EDEDLO CNC(=O)C[N@H+]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000378353326 447420792 /nfs/dbraw/zinc/42/07/92/447420792.db2.gz XCVZLEGGHRWFGN-OAHLLOKOSA-N 1 2 330.432 1.231 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000426356430 447422910 /nfs/dbraw/zinc/42/29/10/447422910.db2.gz KCGYBAFDEGKAEF-UHFFFAOYSA-N 1 2 331.847 1.611 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)nc1 ZINC000378445855 447428628 /nfs/dbraw/zinc/42/86/28/447428628.db2.gz VABUJASKMJNLHO-YJYMSZOUSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)nc1 ZINC000378445855 447428622 /nfs/dbraw/zinc/42/86/22/447428622.db2.gz VABUJASKMJNLHO-YJYMSZOUSA-N 1 2 334.379 1.936 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)CSCC#N)c[nH+]2)C[C@H](C)O1 ZINC000044537024 440855334 /nfs/dbraw/zinc/85/53/34/440855334.db2.gz RWUNPDRVLQMEQT-BETUJISGSA-N 1 2 334.445 1.568 20 30 EDEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000057291035 441106118 /nfs/dbraw/zinc/10/61/18/441106118.db2.gz SVIGRNXYYPCFAR-UHFFFAOYSA-N 1 2 336.395 1.676 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000046586473 441115117 /nfs/dbraw/zinc/11/51/17/441115117.db2.gz NLBXSWNBFQVLRA-GOSISDBHSA-N 1 2 330.432 1.569 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cn4cccnc4n3)CC2)cc1 ZINC000047536219 441202092 /nfs/dbraw/zinc/20/20/92/441202092.db2.gz SRCOKTJPRYNSDZ-UHFFFAOYSA-N 1 2 346.394 1.559 20 30 EDEDLO Cc1cc(C[NH+]2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)on1 ZINC000022250990 441278551 /nfs/dbraw/zinc/27/85/51/441278551.db2.gz PWWVUTXQVYXDOY-UHFFFAOYSA-N 1 2 339.399 1.611 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000051426298 441410407 /nfs/dbraw/zinc/41/04/07/441410407.db2.gz RVSDHNIUCFGMRD-UHFFFAOYSA-N 1 2 330.432 1.579 20 30 EDEDLO N#Cc1ccsc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000052030029 441431909 /nfs/dbraw/zinc/43/19/09/441431909.db2.gz KMNAAVRMNSKBCT-UHFFFAOYSA-N 1 2 328.397 1.781 20 30 EDEDLO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444737 441458872 /nfs/dbraw/zinc/45/88/72/441458872.db2.gz LIJMZLLKGGHOEU-DOTOQJQBSA-N 1 2 341.459 1.770 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000029532108 441462929 /nfs/dbraw/zinc/46/29/29/441462929.db2.gz WOOIFQXSILWNGS-CYBMUJFWSA-N 1 2 345.403 1.503 20 30 EDEDLO N#C[C@]1(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCSC1 ZINC000110677660 441522307 /nfs/dbraw/zinc/52/23/07/441522307.db2.gz XJJRJOGYQPBDDC-QGZVFWFLSA-N 1 2 331.441 1.648 20 30 EDEDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075620649 441542560 /nfs/dbraw/zinc/54/25/60/441542560.db2.gz CVOOOMJRNRHDFZ-CQSZACIVSA-N 1 2 325.372 1.661 20 30 EDEDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075620649 441542565 /nfs/dbraw/zinc/54/25/65/441542565.db2.gz CVOOOMJRNRHDFZ-CQSZACIVSA-N 1 2 325.372 1.661 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)N(CC)[C@H](C)CS(=O)(=O)CC)CC1 ZINC000112847863 441560134 /nfs/dbraw/zinc/56/01/34/441560134.db2.gz UWXKEFOINXLPQU-CQSZACIVSA-N 1 2 328.478 1.003 20 30 EDEDLO Cc1nc(CN2CC[NH+](CCOc3ccccc3C#N)CC2)no1 ZINC000114191317 441641119 /nfs/dbraw/zinc/64/11/19/441641119.db2.gz PDNSETXRGZHJOR-UHFFFAOYSA-N 1 2 327.388 1.446 20 30 EDEDLO C#CCC[NH+]1CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000091480422 441704527 /nfs/dbraw/zinc/70/45/27/441704527.db2.gz URUJGHPLPUIZMI-UHFFFAOYSA-N 1 2 348.359 1.449 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000115532341 441751798 /nfs/dbraw/zinc/75/17/98/441751798.db2.gz IKKBBSRFIIDFBC-QGZVFWFLSA-N 1 2 340.452 1.964 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000068327567 441775427 /nfs/dbraw/zinc/77/54/27/441775427.db2.gz HDLGVIOHQQJEFB-MRXNPFEDSA-N 1 2 346.500 1.799 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000068327567 441775435 /nfs/dbraw/zinc/77/54/35/441775435.db2.gz HDLGVIOHQQJEFB-MRXNPFEDSA-N 1 2 346.500 1.799 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2nc[nH]c21 ZINC000159263677 441798564 /nfs/dbraw/zinc/79/85/64/441798564.db2.gz MVDWCKWUPGCGKW-UHFFFAOYSA-N 1 2 327.388 1.251 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000116307065 441809135 /nfs/dbraw/zinc/80/91/35/441809135.db2.gz MIDNAZSCGIHBOX-CQSZACIVSA-N 1 2 349.866 1.613 20 30 EDEDLO C=CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000117079378 441864542 /nfs/dbraw/zinc/86/45/42/441864542.db2.gz BRUIHLZNOIVLAT-CQSZACIVSA-N 1 2 331.416 1.538 20 30 EDEDLO CCSc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000068766839 441848655 /nfs/dbraw/zinc/84/86/55/441848655.db2.gz ZCTJHXKEIGAMLW-UHFFFAOYSA-N 1 2 348.472 1.882 20 30 EDEDLO CCOC(=O)C1(O)CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093595988 441891489 /nfs/dbraw/zinc/89/14/89/441891489.db2.gz XDNXGQWGLCUITA-UHFFFAOYSA-N 1 2 328.372 1.096 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2noc(C3CCCCC3)n2)CC1 ZINC000160853831 441928834 /nfs/dbraw/zinc/92/88/34/441928834.db2.gz WACCHPAINOCNSN-UHFFFAOYSA-N 1 2 347.463 1.537 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718333 441957933 /nfs/dbraw/zinc/95/79/33/441957933.db2.gz WSHLZTCNUCXVMF-INIZCTEOSA-N 1 2 343.475 1.455 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000151128608 442009618 /nfs/dbraw/zinc/00/96/18/442009618.db2.gz MNEUNEPPLMDXKC-OAHLLOKOSA-N 1 2 329.381 1.795 20 30 EDEDLO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000120327863 442050625 /nfs/dbraw/zinc/05/06/25/442050625.db2.gz SUZDBODLTUOWOS-MRXNPFEDSA-N 1 2 338.860 1.848 20 30 EDEDLO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000120327863 442050629 /nfs/dbraw/zinc/05/06/29/442050629.db2.gz SUZDBODLTUOWOS-MRXNPFEDSA-N 1 2 338.860 1.848 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccnc(Cl)c1 ZINC000151372468 442050907 /nfs/dbraw/zinc/05/09/07/442050907.db2.gz OHBZICVPOWXNLU-NSCUHMNNSA-N 1 2 348.834 1.823 20 30 EDEDLO N#Cc1ncn(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)c1C#N ZINC000126102186 442079059 /nfs/dbraw/zinc/07/90/59/442079059.db2.gz YEJNPCIPQOZJQO-UHFFFAOYSA-N 1 2 341.400 1.317 20 30 EDEDLO CCc1nn(C)c(CC)c1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000163098900 442143299 /nfs/dbraw/zinc/14/32/99/442143299.db2.gz VPEHYYBQOGDURT-KRWDZBQOSA-N 1 2 325.416 1.733 20 30 EDEDLO N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000151943584 442144738 /nfs/dbraw/zinc/14/47/38/442144738.db2.gz GZSITPBMJCWKKS-OAHLLOKOSA-N 1 2 335.411 1.666 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1C#N ZINC000097106837 442169881 /nfs/dbraw/zinc/16/98/81/442169881.db2.gz ODHKKOGWKXVGBG-LLVKDONJSA-N 1 2 334.445 1.985 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1C#N ZINC000097106837 442169883 /nfs/dbraw/zinc/16/98/83/442169883.db2.gz ODHKKOGWKXVGBG-LLVKDONJSA-N 1 2 334.445 1.985 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)C#Cc3ccccc3)c[nH+]2)CCO1 ZINC000176027077 442162796 /nfs/dbraw/zinc/16/27/96/442162796.db2.gz VCEOVZUWWVJRJC-INIZCTEOSA-N 1 2 335.407 1.975 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)[C@@]1([NH+](C)C)CCc2ccccc21 ZINC000378631703 447448016 /nfs/dbraw/zinc/44/80/16/447448016.db2.gz HZMDHBOLFKLAGT-QGZVFWFLSA-N 1 2 336.457 1.107 20 30 EDEDLO COCCCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000178170812 442413217 /nfs/dbraw/zinc/41/32/17/442413217.db2.gz QITVZWATOBXFKF-LLVKDONJSA-N 1 2 327.812 1.713 20 30 EDEDLO CO/N=C(/C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccco1 ZINC000178377383 442428727 /nfs/dbraw/zinc/42/87/27/442428727.db2.gz YRZNFIHAILQMKS-CAPFRKAQSA-N 1 2 344.371 1.809 20 30 EDEDLO CNS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000156000495 442441510 /nfs/dbraw/zinc/44/15/10/442441510.db2.gz AVCMGMGNQLWLGY-AWEZNQCLSA-N 1 2 346.374 1.680 20 30 EDEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000156000495 442441514 /nfs/dbraw/zinc/44/15/14/442441514.db2.gz AVCMGMGNQLWLGY-AWEZNQCLSA-N 1 2 346.374 1.680 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](CNC(C)=O)C2)cc(OC)c1O ZINC000179711124 442492107 /nfs/dbraw/zinc/49/21/07/442492107.db2.gz RHXPSAUIUBEGEH-MRXNPFEDSA-N 1 2 334.416 1.466 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCO[C@H](CNC(C)=O)C2)cc(OC)c1O ZINC000179711124 442492110 /nfs/dbraw/zinc/49/21/10/442492110.db2.gz RHXPSAUIUBEGEH-MRXNPFEDSA-N 1 2 334.416 1.466 20 30 EDEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000134311400 442467615 /nfs/dbraw/zinc/46/76/15/442467615.db2.gz DNRGGPJCJVOTLL-OAHLLOKOSA-N 1 2 346.456 1.713 20 30 EDEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000134311400 442467618 /nfs/dbraw/zinc/46/76/18/442467618.db2.gz DNRGGPJCJVOTLL-OAHLLOKOSA-N 1 2 346.456 1.713 20 30 EDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000180073511 442537507 /nfs/dbraw/zinc/53/75/07/442537507.db2.gz SYBQGRBZNYORTB-AWEZNQCLSA-N 1 2 332.404 1.773 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1cncc(F)c1 ZINC000180129631 442546048 /nfs/dbraw/zinc/54/60/48/442546048.db2.gz SRSAQOPCOQXJQH-UHFFFAOYSA-N 1 2 334.395 1.228 20 30 EDEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)N1CCC(C)CC1 ZINC000158170689 442651727 /nfs/dbraw/zinc/65/17/27/442651727.db2.gz NBLFKMINDICUHP-ZDUSSCGKSA-N 1 2 331.416 1.905 20 30 EDEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000192514352 442655564 /nfs/dbraw/zinc/65/55/64/442655564.db2.gz MIJNHOFGROQSLH-UHFFFAOYSA-N 1 2 328.376 1.066 20 30 EDEDLO COCCN1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC1=O ZINC000181575185 442705121 /nfs/dbraw/zinc/70/51/21/442705121.db2.gz UHDCDMQVBVRWGV-UHFFFAOYSA-N 1 2 330.432 1.327 20 30 EDEDLO COCCN1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC1=O ZINC000181575185 442705123 /nfs/dbraw/zinc/70/51/23/442705123.db2.gz UHDCDMQVBVRWGV-UHFFFAOYSA-N 1 2 330.432 1.327 20 30 EDEDLO CC(=O)N1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C(C)(C)C1 ZINC000182195025 442744228 /nfs/dbraw/zinc/74/42/28/442744228.db2.gz FQGFSMXRPDNPIP-UHFFFAOYSA-N 1 2 342.443 1.876 20 30 EDEDLO CC(=O)N1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C(C)(C)C1 ZINC000182195025 442744230 /nfs/dbraw/zinc/74/42/30/442744230.db2.gz FQGFSMXRPDNPIP-UHFFFAOYSA-N 1 2 342.443 1.876 20 30 EDEDLO C#CCOc1ccccc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000188081930 442709145 /nfs/dbraw/zinc/70/91/45/442709145.db2.gz QXPIICKDSGJEGU-HUUCEWRRSA-N 1 2 331.416 1.929 20 30 EDEDLO C[C@@H](C#N)CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000182657092 442802342 /nfs/dbraw/zinc/80/23/42/442802342.db2.gz BPKICHAYCZXZBY-DOTOQJQBSA-N 1 2 330.432 1.389 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC000246385426 442777405 /nfs/dbraw/zinc/77/74/05/442777405.db2.gz KDRMTNOYPWAIOY-LSDHHAIUSA-N 1 2 342.447 1.117 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC000246385426 442777408 /nfs/dbraw/zinc/77/74/08/442777408.db2.gz KDRMTNOYPWAIOY-LSDHHAIUSA-N 1 2 342.447 1.117 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000182949785 442852569 /nfs/dbraw/zinc/85/25/69/442852569.db2.gz SPCPTNNCSRSHJE-QZTJIDSGSA-N 1 2 347.459 1.605 20 30 EDEDLO CCOC(=O)N1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000265857183 442947411 /nfs/dbraw/zinc/94/74/11/442947411.db2.gz RECRCKIFHSBUCL-UHFFFAOYSA-N 1 2 333.388 1.720 20 30 EDEDLO COc1cc(N2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)ncn1 ZINC000184084764 442990199 /nfs/dbraw/zinc/99/01/99/442990199.db2.gz UDUPLBNQJFJONR-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195319880 443009306 /nfs/dbraw/zinc/00/93/06/443009306.db2.gz IQHKFBMQZGKEMU-IXDOHACOSA-N 1 2 325.497 1.841 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195319880 443009310 /nfs/dbraw/zinc/00/93/10/443009310.db2.gz IQHKFBMQZGKEMU-IXDOHACOSA-N 1 2 325.497 1.841 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1c(C)nc2sccn21 ZINC000268494275 443009720 /nfs/dbraw/zinc/00/97/20/443009720.db2.gz PQECAEMNRZNLHS-NSHDSACASA-N 1 2 335.433 1.536 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1c(C)nc2sccn21 ZINC000268494275 443009723 /nfs/dbraw/zinc/00/97/23/443009723.db2.gz PQECAEMNRZNLHS-NSHDSACASA-N 1 2 335.433 1.536 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000253295806 443049380 /nfs/dbraw/zinc/04/93/80/443049380.db2.gz HEWXLNTUEHIYNL-PLQZLIEUSA-N 1 2 337.464 1.387 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000253295806 443049384 /nfs/dbraw/zinc/04/93/84/443049384.db2.gz HEWXLNTUEHIYNL-PLQZLIEUSA-N 1 2 337.464 1.387 20 30 EDEDLO COc1coc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1=O ZINC000268656813 443067381 /nfs/dbraw/zinc/06/73/81/443067381.db2.gz QCLKMTIZLIXVPX-UHFFFAOYSA-N 1 2 339.395 1.838 20 30 EDEDLO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000268828311 443120523 /nfs/dbraw/zinc/12/05/23/443120523.db2.gz ZSXTYYVOMOJEML-XPTSAGLGSA-N 1 2 341.383 1.597 20 30 EDEDLO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000268828311 443120528 /nfs/dbraw/zinc/12/05/28/443120528.db2.gz ZSXTYYVOMOJEML-XPTSAGLGSA-N 1 2 341.383 1.597 20 30 EDEDLO O=C(NCC#Cc1ccccc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000266644272 443195571 /nfs/dbraw/zinc/19/55/71/443195571.db2.gz FHTMOLUNNXKDRQ-SFHVURJKSA-N 1 2 327.428 1.544 20 30 EDEDLO C[C@@H]1COCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000610990934 450399720 /nfs/dbraw/zinc/39/97/20/450399720.db2.gz VKQMGMDILDYTCX-CQSZACIVSA-N 1 2 339.399 1.793 20 30 EDEDLO C[C@@H]1COCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000610990934 450399721 /nfs/dbraw/zinc/39/97/21/450399721.db2.gz VKQMGMDILDYTCX-CQSZACIVSA-N 1 2 339.399 1.793 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000266856997 443269835 /nfs/dbraw/zinc/26/98/35/443269835.db2.gz HPAMBKQOHRNIMG-DZGCQCFKSA-N 1 2 339.317 1.663 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000266856997 443269839 /nfs/dbraw/zinc/26/98/39/443269839.db2.gz HPAMBKQOHRNIMG-DZGCQCFKSA-N 1 2 339.317 1.663 20 30 EDEDLO CC[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)CO1 ZINC000625511337 450401596 /nfs/dbraw/zinc/40/15/96/450401596.db2.gz DCXLLTZZDUITKZ-GJZGRUSLSA-N 1 2 326.396 1.785 20 30 EDEDLO CC[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)CO1 ZINC000625511337 450401600 /nfs/dbraw/zinc/40/16/00/450401600.db2.gz DCXLLTZZDUITKZ-GJZGRUSLSA-N 1 2 326.396 1.785 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC(=O)NCC2(C)C)c(OC)c1 ZINC000282756716 443426207 /nfs/dbraw/zinc/42/62/07/443426207.db2.gz OCDAMTOMSMUBNW-OAHLLOKOSA-N 1 2 348.443 1.374 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC(=O)NCC2(C)C)c(OC)c1 ZINC000282756716 443426211 /nfs/dbraw/zinc/42/62/11/443426211.db2.gz OCDAMTOMSMUBNW-OAHLLOKOSA-N 1 2 348.443 1.374 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278674677 443398594 /nfs/dbraw/zinc/39/85/94/443398594.db2.gz IMLBJRKZJIIKBQ-MRVWCRGKSA-N 1 2 335.429 1.057 20 30 EDEDLO NC(COc1cc(F)cc(F)c1)=[NH+]OC[C@H]1CCS(=O)(=O)C1 ZINC000278708630 443409476 /nfs/dbraw/zinc/40/94/76/443409476.db2.gz RMXVJKMBTDXZLC-SECBINFHSA-N 1 2 334.344 1.067 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC000270990646 443486890 /nfs/dbraw/zinc/48/68/90/443486890.db2.gz XZQZRUYDBUPQAN-QGZVFWFLSA-N 1 2 340.427 1.630 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC000270990646 443486896 /nfs/dbraw/zinc/48/68/96/443486896.db2.gz XZQZRUYDBUPQAN-QGZVFWFLSA-N 1 2 340.427 1.630 20 30 EDEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)cn1 ZINC000267411877 443448338 /nfs/dbraw/zinc/44/83/38/443448338.db2.gz RUIHMKUWCKKPMU-LJQANCHMSA-N 1 2 347.422 1.881 20 30 EDEDLO COC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278835450 443457038 /nfs/dbraw/zinc/45/70/38/443457038.db2.gz AKJREJKKJWSBQF-KRWDZBQOSA-N 1 2 341.415 1.706 20 30 EDEDLO COC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000278835450 443457043 /nfs/dbraw/zinc/45/70/43/443457043.db2.gz AKJREJKKJWSBQF-KRWDZBQOSA-N 1 2 341.415 1.706 20 30 EDEDLO Cc1cc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)nn1CCC#N ZINC000272056027 443523625 /nfs/dbraw/zinc/52/36/25/443523625.db2.gz IBLMGPWGLFVYIB-KGLIPLIRSA-N 1 2 334.424 1.336 20 30 EDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(c2cccc(C#N)n2)CCO1 ZINC000279439321 443586308 /nfs/dbraw/zinc/58/63/08/443586308.db2.gz LKFQOQJORAMNNC-HNNXBMFYSA-N 1 2 346.431 1.432 20 30 EDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(c2cccc(C#N)n2)CCO1 ZINC000279439321 443586313 /nfs/dbraw/zinc/58/63/13/443586313.db2.gz LKFQOQJORAMNNC-HNNXBMFYSA-N 1 2 346.431 1.432 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286213408 443669624 /nfs/dbraw/zinc/66/96/24/443669624.db2.gz OPCHJZJXQJERBH-QGZVFWFLSA-N 1 2 349.456 1.215 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286213408 443669627 /nfs/dbraw/zinc/66/96/27/443669627.db2.gz OPCHJZJXQJERBH-QGZVFWFLSA-N 1 2 349.456 1.215 20 30 EDEDLO C=C(C)Cn1c(-c2cccn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000283720133 443698049 /nfs/dbraw/zinc/69/80/49/443698049.db2.gz XHOYSBKNVINPDV-UHFFFAOYSA-N 1 2 344.463 1.628 20 30 EDEDLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCCCCC#N)CC2)c1 ZINC000286390333 443704185 /nfs/dbraw/zinc/70/41/85/443704185.db2.gz FKZZUZAPXCMHGA-UHFFFAOYSA-N 1 2 342.443 1.449 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000286892082 443729280 /nfs/dbraw/zinc/72/92/80/443729280.db2.gz XJNLCGMFTUUTJA-MRXNPFEDSA-N 1 2 331.391 1.880 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000286892082 443729284 /nfs/dbraw/zinc/72/92/84/443729284.db2.gz XJNLCGMFTUUTJA-MRXNPFEDSA-N 1 2 331.391 1.880 20 30 EDEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000298287998 443738057 /nfs/dbraw/zinc/73/80/57/443738057.db2.gz OCVRZUCUMKOERC-UHFFFAOYSA-N 1 2 327.428 1.508 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280753754 443744095 /nfs/dbraw/zinc/74/40/95/443744095.db2.gz IEAZIXQDXLBGNR-YOEHRIQHSA-N 1 2 326.400 1.077 20 30 EDEDLO CN1CCO[C@H]2CC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]21 ZINC000284814666 443789475 /nfs/dbraw/zinc/78/94/75/443789475.db2.gz PLAJNEPVIRASEF-CVEARBPZSA-N 1 2 339.399 1.513 20 30 EDEDLO CN1CCO[C@H]2CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]21 ZINC000284814666 443789477 /nfs/dbraw/zinc/78/94/77/443789477.db2.gz PLAJNEPVIRASEF-CVEARBPZSA-N 1 2 339.399 1.513 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]21 ZINC000284814666 443789480 /nfs/dbraw/zinc/78/94/80/443789480.db2.gz PLAJNEPVIRASEF-CVEARBPZSA-N 1 2 339.399 1.513 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]21 ZINC000284814666 443789482 /nfs/dbraw/zinc/78/94/82/443789482.db2.gz PLAJNEPVIRASEF-CVEARBPZSA-N 1 2 339.399 1.513 20 30 EDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000287666429 443753774 /nfs/dbraw/zinc/75/37/74/443753774.db2.gz CSDAQOIIONPHRQ-ZDUSSCGKSA-N 1 2 327.363 1.872 20 30 EDEDLO C[N@@H+]1CCc2ncnc(N3CC[C@@H](Oc4ccc(C#N)cn4)C3)c2C1 ZINC000291805044 443767652 /nfs/dbraw/zinc/76/76/52/443767652.db2.gz JTCNPCPKHBTJDI-CQSZACIVSA-N 1 2 336.399 1.389 20 30 EDEDLO C[N@H+]1CCc2ncnc(N3CC[C@@H](Oc4ccc(C#N)cn4)C3)c2C1 ZINC000291805044 443767654 /nfs/dbraw/zinc/76/76/54/443767654.db2.gz JTCNPCPKHBTJDI-CQSZACIVSA-N 1 2 336.399 1.389 20 30 EDEDLO NC(=[NH+]OCC(=O)NCCOc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000284399294 443773837 /nfs/dbraw/zinc/77/38/37/443773837.db2.gz MYIGHHJLZFMWAT-CYBMUJFWSA-N 1 2 341.795 1.303 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C[C@H]21 ZINC000284454467 443775490 /nfs/dbraw/zinc/77/54/90/443775490.db2.gz KWLCZYVFXKAOAB-IAGOWNOFSA-N 1 2 343.427 1.647 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C[C@H]21 ZINC000284454467 443775493 /nfs/dbraw/zinc/77/54/93/443775493.db2.gz KWLCZYVFXKAOAB-IAGOWNOFSA-N 1 2 343.427 1.647 20 30 EDEDLO CO[C@H](C)c1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292172263 443780067 /nfs/dbraw/zinc/78/00/67/443780067.db2.gz LYSPKAVVSDTXNR-YPMHNXCESA-N 1 2 329.360 1.697 20 30 EDEDLO CO[C@H](C)c1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292172263 443780073 /nfs/dbraw/zinc/78/00/73/443780073.db2.gz LYSPKAVVSDTXNR-YPMHNXCESA-N 1 2 329.360 1.697 20 30 EDEDLO COC[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC(C)(C)O1 ZINC000284608064 443781530 /nfs/dbraw/zinc/78/15/30/443781530.db2.gz RQUGBLMXQKKSFP-IRXDYDNUSA-N 1 2 343.427 1.789 20 30 EDEDLO COC[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC(C)(C)O1 ZINC000284608064 443781531 /nfs/dbraw/zinc/78/15/31/443781531.db2.gz RQUGBLMXQKKSFP-IRXDYDNUSA-N 1 2 343.427 1.789 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000292690563 443818966 /nfs/dbraw/zinc/81/89/66/443818966.db2.gz SGHHQVRPZTVPJV-UHFFFAOYSA-N 1 2 334.376 1.989 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2OC)C1=O ZINC000281326286 443880620 /nfs/dbraw/zinc/88/06/20/443880620.db2.gz RPMSJNSQDSUCQV-CQSZACIVSA-N 1 2 334.416 1.931 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2OC)C1=O ZINC000281326286 443880621 /nfs/dbraw/zinc/88/06/21/443880621.db2.gz RPMSJNSQDSUCQV-CQSZACIVSA-N 1 2 334.416 1.931 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ncnn1-c1ccccc1 ZINC000281420715 443906803 /nfs/dbraw/zinc/90/68/03/443906803.db2.gz BRKSWXNKUKUZLG-UHFFFAOYSA-N 1 2 340.431 1.315 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2F)C1=O ZINC000281432925 443910585 /nfs/dbraw/zinc/91/05/85/443910585.db2.gz SQYBNQWGCHXZET-INIZCTEOSA-N 1 2 333.407 1.503 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2F)C1=O ZINC000281432925 443910588 /nfs/dbraw/zinc/91/05/88/443910588.db2.gz SQYBNQWGCHXZET-INIZCTEOSA-N 1 2 333.407 1.503 20 30 EDEDLO CS(=O)(=O)NCC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000285350199 443951723 /nfs/dbraw/zinc/95/17/23/443951723.db2.gz DLLIXFJAEWCZSK-UHFFFAOYSA-N 1 2 341.864 1.973 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCc2ccccc2F)C1=O ZINC000281458073 443917116 /nfs/dbraw/zinc/91/71/16/443917116.db2.gz VCEXTAFYQNBLEN-CZUORRHYSA-N 1 2 333.407 1.549 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCc2ccccc2F)C1=O ZINC000281458073 443917122 /nfs/dbraw/zinc/91/71/22/443917122.db2.gz VCEXTAFYQNBLEN-CZUORRHYSA-N 1 2 333.407 1.549 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O ZINC000281460539 443918164 /nfs/dbraw/zinc/91/81/64/443918164.db2.gz VHIFSZWWGHFTDO-DOMZBBRYSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O ZINC000281460539 443918165 /nfs/dbraw/zinc/91/81/65/443918165.db2.gz VHIFSZWWGHFTDO-DOMZBBRYSA-N 1 2 346.387 1.641 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1cc2c(cc1Cl)OCCO2 ZINC000288568854 443920874 /nfs/dbraw/zinc/92/08/74/443920874.db2.gz KDILKBDODVBKHK-UHFFFAOYSA-N 1 2 341.795 1.232 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000281472709 443921554 /nfs/dbraw/zinc/92/15/54/443921554.db2.gz UUPKWVIMYIGRGF-ZIAGYGMSSA-N 1 2 332.452 1.629 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000281472709 443921557 /nfs/dbraw/zinc/92/15/57/443921557.db2.gz UUPKWVIMYIGRGF-ZIAGYGMSSA-N 1 2 332.452 1.629 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000285283461 443926288 /nfs/dbraw/zinc/92/62/88/443926288.db2.gz JREHZRXELQLPNX-LLVKDONJSA-N 1 2 327.837 1.926 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000285283461 443926291 /nfs/dbraw/zinc/92/62/91/443926291.db2.gz JREHZRXELQLPNX-LLVKDONJSA-N 1 2 327.837 1.926 20 30 EDEDLO CS(=O)(=O)N[C@H]1CCCC[C@H]1C/[NH+]=C/c1cccc(O)c1O ZINC000285444680 443986794 /nfs/dbraw/zinc/98/67/94/443986794.db2.gz PSFHMONMIFTLNS-VSYSVEPCSA-N 1 2 326.418 1.625 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289039603 444040250 /nfs/dbraw/zinc/04/02/50/444040250.db2.gz PPTGODSPURSNPZ-LBPRGKRZSA-N 1 2 331.372 1.260 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289039603 444040253 /nfs/dbraw/zinc/04/02/53/444040253.db2.gz PPTGODSPURSNPZ-LBPRGKRZSA-N 1 2 331.372 1.260 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000285533559 444019395 /nfs/dbraw/zinc/01/93/95/444019395.db2.gz HJVTVHQVFIPDFF-UHFFFAOYSA-N 1 2 342.443 1.889 20 30 EDEDLO C=CC[N@@H+](CCC(=O)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000285536341 444020878 /nfs/dbraw/zinc/02/08/78/444020878.db2.gz HGONFELZIWJSPF-HNNXBMFYSA-N 1 2 337.441 1.943 20 30 EDEDLO C=CC[N@H+](CCC(=O)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000285536341 444020880 /nfs/dbraw/zinc/02/08/80/444020880.db2.gz HGONFELZIWJSPF-HNNXBMFYSA-N 1 2 337.441 1.943 20 30 EDEDLO C[C@@H](O)c1ncc(C[NH+]2CCN(c3ncccc3C#N)CC2)s1 ZINC000288997340 444030790 /nfs/dbraw/zinc/03/07/90/444030790.db2.gz DQGLFSGQZQIMOV-GFCCVEGCSA-N 1 2 329.429 1.785 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000289011942 444033576 /nfs/dbraw/zinc/03/35/76/444033576.db2.gz AWYNDMUJNNTHLF-AWEZNQCLSA-N 1 2 337.445 1.041 20 30 EDEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277885276 444059053 /nfs/dbraw/zinc/05/90/53/444059053.db2.gz SPGGZBZWGPUGIA-UHFFFAOYSA-N 1 2 328.416 1.564 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC000565936757 321206809 /nfs/dbraw/zinc/20/68/09/321206809.db2.gz WDCABDKLMRNSKH-AWEZNQCLSA-N 1 2 334.427 1.943 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc2c(n1)CCC2 ZINC000565936757 321206810 /nfs/dbraw/zinc/20/68/10/321206810.db2.gz WDCABDKLMRNSKH-AWEZNQCLSA-N 1 2 334.427 1.943 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000285798486 444111076 /nfs/dbraw/zinc/11/10/76/444111076.db2.gz CXLILQZPDVOORQ-KGLIPLIRSA-N 1 2 347.806 1.248 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000285798486 444111079 /nfs/dbraw/zinc/11/10/79/444111079.db2.gz CXLILQZPDVOORQ-KGLIPLIRSA-N 1 2 347.806 1.248 20 30 EDEDLO Cc1noc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000285860841 444132786 /nfs/dbraw/zinc/13/27/86/444132786.db2.gz YKIKZLSUFQACLP-GOEBONIOSA-N 1 2 328.372 1.827 20 30 EDEDLO Cc1noc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000285860841 444132789 /nfs/dbraw/zinc/13/27/89/444132789.db2.gz YKIKZLSUFQACLP-GOEBONIOSA-N 1 2 328.372 1.827 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000295082475 444165361 /nfs/dbraw/zinc/16/53/61/444165361.db2.gz BFJZELUGHPXCQW-MRXNPFEDSA-N 1 2 344.415 1.337 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000295082475 444165365 /nfs/dbraw/zinc/16/53/65/444165365.db2.gz BFJZELUGHPXCQW-MRXNPFEDSA-N 1 2 344.415 1.337 20 30 EDEDLO Cc1cnn([C@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)c1 ZINC000289863071 444212682 /nfs/dbraw/zinc/21/26/82/444212682.db2.gz LHVRQOHQGGUTNR-HNNXBMFYSA-N 1 2 345.428 1.179 20 30 EDEDLO Cc1cnn([C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)c1 ZINC000289863071 444212685 /nfs/dbraw/zinc/21/26/85/444212685.db2.gz LHVRQOHQGGUTNR-HNNXBMFYSA-N 1 2 345.428 1.179 20 30 EDEDLO C=CCNc1ncc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)s1 ZINC000290360323 444271865 /nfs/dbraw/zinc/27/18/65/444271865.db2.gz GNQVGGISKNATSH-OLZOCXBDSA-N 1 2 336.461 1.676 20 30 EDEDLO COC(=O)[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000331003579 444354822 /nfs/dbraw/zinc/35/48/22/444354822.db2.gz GMNRYZMFWLZNBE-UONOGXRCSA-N 1 2 341.452 1.142 20 30 EDEDLO COC(=O)[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000331003579 444354824 /nfs/dbraw/zinc/35/48/24/444354824.db2.gz GMNRYZMFWLZNBE-UONOGXRCSA-N 1 2 341.452 1.142 20 30 EDEDLO CCN1CCN(CC(=O)N[C@](C)(C#N)C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000331004616 444355525 /nfs/dbraw/zinc/35/55/25/444355525.db2.gz SFKZSZWPNKHEKF-WMLDXEAASA-N 1 2 332.452 1.143 20 30 EDEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000340222744 444372022 /nfs/dbraw/zinc/37/20/22/444372022.db2.gz OBDAHDWRTNIRQX-JSGCOSHPSA-N 1 2 346.456 1.697 20 30 EDEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340222744 444372024 /nfs/dbraw/zinc/37/20/24/444372024.db2.gz OBDAHDWRTNIRQX-JSGCOSHPSA-N 1 2 346.456 1.697 20 30 EDEDLO CCOC1CC(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)C1 ZINC000578550545 321794133 /nfs/dbraw/zinc/79/41/33/321794133.db2.gz IJEJLAPMYVVVPM-UHFFFAOYSA-N 1 2 331.416 1.367 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC000290895386 444335868 /nfs/dbraw/zinc/33/58/68/444335868.db2.gz BVMUXRBVQPWVSB-KGLIPLIRSA-N 1 2 330.436 1.444 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)C ZINC000290895386 444335869 /nfs/dbraw/zinc/33/58/69/444335869.db2.gz BVMUXRBVQPWVSB-KGLIPLIRSA-N 1 2 330.436 1.444 20 30 EDEDLO COCc1csc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328940976 444413720 /nfs/dbraw/zinc/41/37/20/444413720.db2.gz FEVMCDVVDHOTGR-RYUDHWBXSA-N 1 2 326.422 1.240 20 30 EDEDLO COCc1csc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000328940976 444413723 /nfs/dbraw/zinc/41/37/23/444413723.db2.gz FEVMCDVVDHOTGR-RYUDHWBXSA-N 1 2 326.422 1.240 20 30 EDEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000328859050 444377714 /nfs/dbraw/zinc/37/77/14/444377714.db2.gz ABJNJGULGLANLP-NSHDSACASA-N 1 2 346.343 1.122 20 30 EDEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000328859050 444377715 /nfs/dbraw/zinc/37/77/15/444377715.db2.gz ABJNJGULGLANLP-NSHDSACASA-N 1 2 346.343 1.122 20 30 EDEDLO CCN1CCN(C(=O)Nc2ccc(F)cn2)C[C@H]1c1[nH+]ccn1C ZINC000328615230 444394939 /nfs/dbraw/zinc/39/49/39/444394939.db2.gz ARVYLIBIKDYNDA-ZDUSSCGKSA-N 1 2 332.383 1.879 20 30 EDEDLO CO[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@@H]1OC ZINC000331102961 444395389 /nfs/dbraw/zinc/39/53/89/444395389.db2.gz GWJFUSUJIXURDC-AOOOYVTPSA-N 1 2 336.314 1.205 20 30 EDEDLO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)NCC1(CO)COC1 ZINC000328619750 444396686 /nfs/dbraw/zinc/39/66/86/444396686.db2.gz WGSHBCHAEWDLCJ-UHFFFAOYSA-N 1 2 334.420 1.084 20 30 EDEDLO CCn1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(C(F)(F)F)n1 ZINC000331220164 444448440 /nfs/dbraw/zinc/44/84/40/444448440.db2.gz JFWLWTXMPDWACB-JTQLQIEISA-N 1 2 334.342 1.947 20 30 EDEDLO CCn1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)c(C(F)(F)F)n1 ZINC000331220164 444448443 /nfs/dbraw/zinc/44/84/43/444448443.db2.gz JFWLWTXMPDWACB-JTQLQIEISA-N 1 2 334.342 1.947 20 30 EDEDLO Cc1cc(NC(=O)NCC[NH+]2CCOCC2)c(C#N)cc1N(C)C ZINC000331224184 444449520 /nfs/dbraw/zinc/44/95/20/444449520.db2.gz AVAOKRSZKADWRJ-UHFFFAOYSA-N 1 2 331.420 1.591 20 30 EDEDLO CC(C)c1ncsc1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000331335369 444466866 /nfs/dbraw/zinc/46/68/66/444466866.db2.gz UNEHDIFCXGOHLM-HNNXBMFYSA-N 1 2 327.450 1.654 20 30 EDEDLO CN(C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccnn1C)c1ncccc1C#N ZINC000337843239 444433636 /nfs/dbraw/zinc/43/36/36/444433636.db2.gz GKLWTNJSRONBLR-ZBFHGGJFSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccnn1C)c1ncccc1C#N ZINC000337843239 444433640 /nfs/dbraw/zinc/43/36/40/444433640.db2.gz GKLWTNJSRONBLR-ZBFHGGJFSA-N 1 2 328.395 1.736 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCC12CCOCC2 ZINC000328703318 444435607 /nfs/dbraw/zinc/43/56/07/444435607.db2.gz KBQXBKUVDDQRLG-CABCVRRESA-N 1 2 325.453 1.560 20 30 EDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000331689343 444482267 /nfs/dbraw/zinc/48/22/67/444482267.db2.gz SXEHXUMWTVHWQR-HOCLYGCPSA-N 1 2 332.473 1.674 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3c[nH]nc3-c3nccs3)C[C@@H]21 ZINC000329144181 444483564 /nfs/dbraw/zinc/48/35/64/444483564.db2.gz WCZHFBULAGSUGZ-RYUDHWBXSA-N 1 2 348.432 1.484 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3c[nH]nc3-c3nccs3)C[C@@H]21 ZINC000329144181 444483566 /nfs/dbraw/zinc/48/35/66/444483566.db2.gz WCZHFBULAGSUGZ-RYUDHWBXSA-N 1 2 348.432 1.484 20 30 EDEDLO CCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000581492111 322184262 /nfs/dbraw/zinc/18/42/62/322184262.db2.gz UFEKMEYIGVIBMG-CQSZACIVSA-N 1 2 337.401 1.866 20 30 EDEDLO CCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000581492111 322184263 /nfs/dbraw/zinc/18/42/63/322184263.db2.gz UFEKMEYIGVIBMG-CQSZACIVSA-N 1 2 337.401 1.866 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000332381724 444512631 /nfs/dbraw/zinc/51/26/31/444512631.db2.gz HESLFTZUZYRPPT-RDJZCZTQSA-N 1 2 330.432 1.805 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCCCCC3)ccn2)CC1 ZINC000329266032 444516302 /nfs/dbraw/zinc/51/63/02/444516302.db2.gz FKOFPPSXQQEJLD-UHFFFAOYSA-N 1 2 345.447 1.891 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccnc3c2cnn3C)CC1 ZINC000329327340 444536231 /nfs/dbraw/zinc/53/62/31/444536231.db2.gz UMYBVPNXPUCAFH-GFCCVEGCSA-N 1 2 328.420 1.598 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000329444464 444581660 /nfs/dbraw/zinc/58/16/60/444581660.db2.gz NNYBBHBJWFHPSM-CQSZACIVSA-N 1 2 347.463 1.774 20 30 EDEDLO O=C(Nc1cccc2c1OCO2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329339538 444541560 /nfs/dbraw/zinc/54/15/60/444541560.db2.gz RBWQEZNIPLZJSB-ZDUSSCGKSA-N 1 2 333.388 1.757 20 30 EDEDLO CC(=O)N[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)C1CCCC1 ZINC000329545554 444622451 /nfs/dbraw/zinc/62/24/51/444622451.db2.gz GSCDUJNESVRGPN-KBRIMQKVSA-N 1 2 337.464 1.843 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000342372289 444662305 /nfs/dbraw/zinc/66/23/05/444662305.db2.gz MMLOGSSRHAOBRI-CYBMUJFWSA-N 1 2 326.360 1.112 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000342372289 444662306 /nfs/dbraw/zinc/66/23/06/444662306.db2.gz MMLOGSSRHAOBRI-CYBMUJFWSA-N 1 2 326.360 1.112 20 30 EDEDLO C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329588952 444640127 /nfs/dbraw/zinc/64/01/27/444640127.db2.gz XXBVFZRTNXMETM-HUUCEWRRSA-N 1 2 335.452 2.120 20 30 EDEDLO CCC[C@H]1C[C@H]1NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329823130 444729521 /nfs/dbraw/zinc/72/95/21/444729521.db2.gz HNXPTIBGSBHFEK-DZGCQCFKSA-N 1 2 345.447 1.793 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CN1CCOCC1=O)C2 ZINC000329827603 444731637 /nfs/dbraw/zinc/73/16/37/444731637.db2.gz CUSRPKVTPFDMQC-LBPRGKRZSA-N 1 2 334.420 1.311 20 30 EDEDLO C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329704444 444686977 /nfs/dbraw/zinc/68/69/77/444686977.db2.gz ITWPAEASEASOTI-OWCLPIDISA-N 1 2 337.464 1.702 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000338429605 444690386 /nfs/dbraw/zinc/69/03/86/444690386.db2.gz ZKKBSRVHCZGPML-UHFFFAOYSA-N 1 2 341.371 1.882 20 30 EDEDLO C[C@H](Cn1cccn1)[NH+]=C([O-])N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000329850551 444739770 /nfs/dbraw/zinc/73/97/70/444739770.db2.gz ZTAQOUMMMWNQEY-CVEARBPZSA-N 1 2 335.452 1.372 20 30 EDEDLO C[C@H](Cn1cccn1)NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000329850551 444739774 /nfs/dbraw/zinc/73/97/74/444739774.db2.gz ZTAQOUMMMWNQEY-CVEARBPZSA-N 1 2 335.452 1.372 20 30 EDEDLO Cc1[nH]ncc1CNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000329853328 444741552 /nfs/dbraw/zinc/74/15/52/444741552.db2.gz VJXFSQZMRUYDHB-GASCZTMLSA-N 1 2 348.495 1.623 20 30 EDEDLO Cc1[nH]ncc1CNC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000329853328 444741555 /nfs/dbraw/zinc/74/15/55/444741555.db2.gz VJXFSQZMRUYDHB-GASCZTMLSA-N 1 2 348.495 1.623 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccnc3N3CCCC3)C[C@@H]21 ZINC000329895147 444757168 /nfs/dbraw/zinc/75/71/68/444757168.db2.gz BRCMQIGJTKZKPB-LSDHHAIUSA-N 1 2 331.420 1.242 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccnc3N3CCCC3)C[C@@H]21 ZINC000329895147 444757173 /nfs/dbraw/zinc/75/71/73/444757173.db2.gz BRCMQIGJTKZKPB-LSDHHAIUSA-N 1 2 331.420 1.242 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC=CCC2)cn1 ZINC000329899209 444759347 /nfs/dbraw/zinc/75/93/47/444759347.db2.gz FIQGCBCEFWDZQX-XHSDSOJGSA-N 1 2 335.427 1.945 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC=CCC2)cn1 ZINC000329899209 444759350 /nfs/dbraw/zinc/75/93/50/444759350.db2.gz FIQGCBCEFWDZQX-XHSDSOJGSA-N 1 2 335.427 1.945 20 30 EDEDLO Cc1cc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cnn1 ZINC000329909606 444763837 /nfs/dbraw/zinc/76/38/37/444763837.db2.gz VDQXTOSDQYRZDQ-UHFFFAOYSA-N 1 2 331.420 1.034 20 30 EDEDLO CCNC(=O)c1cccc(NC(=O)CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329914796 444766988 /nfs/dbraw/zinc/76/69/88/444766988.db2.gz CQXPOWRQOJICQL-HOTGVXAUSA-N 1 2 346.431 1.614 20 30 EDEDLO CCNC(=O)c1cccc(NC(=O)CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329914796 444766994 /nfs/dbraw/zinc/76/69/94/444766994.db2.gz CQXPOWRQOJICQL-HOTGVXAUSA-N 1 2 346.431 1.614 20 30 EDEDLO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000329914796 444766998 /nfs/dbraw/zinc/76/69/98/444766998.db2.gz CQXPOWRQOJICQL-HOTGVXAUSA-N 1 2 346.431 1.614 20 30 EDEDLO CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000329914796 444767003 /nfs/dbraw/zinc/76/70/03/444767003.db2.gz CQXPOWRQOJICQL-HOTGVXAUSA-N 1 2 346.431 1.614 20 30 EDEDLO CCN1CCN([C@H](C)C(=O)NC[C@@H]2CCCO2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329915893 444767309 /nfs/dbraw/zinc/76/73/09/444767309.db2.gz PZJDWVCQDQPZNT-ILXRZTDVSA-N 1 2 335.452 1.612 20 30 EDEDLO CC(C)(CNC(=O)Nc1ccc(C(F)(F)F)nn1)[NH+]1CCOCC1 ZINC000329922780 444770131 /nfs/dbraw/zinc/77/01/31/444770131.db2.gz UDHWLRVTTFDPKD-UHFFFAOYSA-N 1 2 347.341 1.932 20 30 EDEDLO O=C(NC[C@@H]1COc2ccccc2O1)NCC1([NH+]2CCOCC2)CC1 ZINC000329928948 444773014 /nfs/dbraw/zinc/77/30/14/444773014.db2.gz MZEOIGAXTDOBAR-CQSZACIVSA-N 1 2 347.415 1.195 20 30 EDEDLO O=C(C[N@H+]1CCSC[C@H]1CCO)Nc1ccc2c(c1)OCCO2 ZINC000329935433 444777172 /nfs/dbraw/zinc/77/71/72/444777172.db2.gz CNEKXPQMZCTEAN-CYBMUJFWSA-N 1 2 338.429 1.846 20 30 EDEDLO O=C(C[N@@H+]1CCSC[C@H]1CCO)Nc1ccc2c(c1)OCCO2 ZINC000329935433 444777177 /nfs/dbraw/zinc/77/71/77/444777177.db2.gz CNEKXPQMZCTEAN-CYBMUJFWSA-N 1 2 338.429 1.846 20 30 EDEDLO CNC(=O)c1ccc(OC)c(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329949344 444782434 /nfs/dbraw/zinc/78/24/34/444782434.db2.gz ZWDYTBQKJMMAGC-ZFWWWQNUSA-N 1 2 348.403 1.190 20 30 EDEDLO CNC(=O)c1ccc(OC)c(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329949344 444782437 /nfs/dbraw/zinc/78/24/37/444782437.db2.gz ZWDYTBQKJMMAGC-ZFWWWQNUSA-N 1 2 348.403 1.190 20 30 EDEDLO C=CCCC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000338661860 444797598 /nfs/dbraw/zinc/79/75/98/444797598.db2.gz ANOOMAMQNXIOIN-UHFFFAOYSA-N 1 2 337.445 1.527 20 30 EDEDLO Cn1nnc(CNC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000330243021 444903218 /nfs/dbraw/zinc/90/32/18/444903218.db2.gz WPPWMNMSGZCCLK-UHFFFAOYSA-N 1 2 349.826 1.095 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330245189 444904503 /nfs/dbraw/zinc/90/45/03/444904503.db2.gz DPSPYEYTZZWAJU-RDBSUJKOSA-N 1 2 331.482 1.487 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330245189 444904505 /nfs/dbraw/zinc/90/45/05/444904505.db2.gz DPSPYEYTZZWAJU-RDBSUJKOSA-N 1 2 331.482 1.487 20 30 EDEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2nnn(C)n2)CC1 ZINC000330248683 444906276 /nfs/dbraw/zinc/90/62/76/444906276.db2.gz ZKHFZHIBXADIRX-NSHDSACASA-N 1 2 335.437 1.064 20 30 EDEDLO CCCc1nc(C)c(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)o1 ZINC000330256951 444910396 /nfs/dbraw/zinc/91/03/96/444910396.db2.gz LBMFMQYJGIOUOX-KBPBESRZSA-N 1 2 336.436 1.754 20 30 EDEDLO CCCc1nc(C)c(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)o1 ZINC000330256951 444910402 /nfs/dbraw/zinc/91/04/02/444910402.db2.gz LBMFMQYJGIOUOX-KBPBESRZSA-N 1 2 336.436 1.754 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000330296906 444927088 /nfs/dbraw/zinc/92/70/88/444927088.db2.gz KKTMSWJJBMFLBG-DGCLKSJQSA-N 1 2 337.424 1.492 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000330296906 444927089 /nfs/dbraw/zinc/92/70/89/444927089.db2.gz KKTMSWJJBMFLBG-DGCLKSJQSA-N 1 2 337.424 1.492 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)CC1 ZINC000330356724 444951022 /nfs/dbraw/zinc/95/10/22/444951022.db2.gz RZOHMOXZDFISCX-CYBMUJFWSA-N 1 2 349.435 1.038 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]nc2[C@@H]2CCOC2)CC1 ZINC000330356724 444951026 /nfs/dbraw/zinc/95/10/26/444951026.db2.gz RZOHMOXZDFISCX-CYBMUJFWSA-N 1 2 349.435 1.038 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)C(=O)NC(C)(C)C)CCC2 ZINC000330417496 444973751 /nfs/dbraw/zinc/97/37/51/444973751.db2.gz XSRAMFZAHINOLP-STQMWFEESA-N 1 2 335.452 1.876 20 30 EDEDLO C=CCCCCNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000342917865 444940410 /nfs/dbraw/zinc/94/04/10/444940410.db2.gz XIEZMYPEXZKANB-UHFFFAOYSA-N 1 2 326.400 1.961 20 30 EDEDLO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000330453213 444987573 /nfs/dbraw/zinc/98/75/73/444987573.db2.gz BJSXECUSCGYNEE-ZIAGYGMSSA-N 1 2 337.395 1.762 20 30 EDEDLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000330453213 444987577 /nfs/dbraw/zinc/98/75/77/444987577.db2.gz BJSXECUSCGYNEE-ZIAGYGMSSA-N 1 2 337.395 1.762 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000330459933 444990482 /nfs/dbraw/zinc/99/04/82/444990482.db2.gz JLYXQQFTUILZBN-JZXOWHBKSA-N 1 2 333.407 1.988 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000330459933 444990485 /nfs/dbraw/zinc/99/04/85/444990485.db2.gz JLYXQQFTUILZBN-JZXOWHBKSA-N 1 2 333.407 1.988 20 30 EDEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cnc(C#N)cn3)CC2)n1 ZINC000337244230 445001260 /nfs/dbraw/zinc/00/12/60/445001260.db2.gz BZNZWWKXBIREBC-GFCCVEGCSA-N 1 2 343.391 1.151 20 30 EDEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cnc(C#N)cn3)CC2)n1 ZINC000337244230 445001264 /nfs/dbraw/zinc/00/12/64/445001264.db2.gz BZNZWWKXBIREBC-GFCCVEGCSA-N 1 2 343.391 1.151 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])cnc1NCCNc1ccc2ccccc2[nH+]1 ZINC000341933030 445079224 /nfs/dbraw/zinc/07/92/24/445079224.db2.gz UPGZDQVYNHPNHM-UHFFFAOYSA-N 1 2 334.339 1.777 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ncccc3OCCCC#N)C[C@@H]21 ZINC000341949797 445089421 /nfs/dbraw/zinc/08/94/21/445089421.db2.gz KAPQVAZVHJSYRV-DZGCQCFKSA-N 1 2 345.403 1.311 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ncccc3OCCCC#N)C[C@@H]21 ZINC000341949797 445089427 /nfs/dbraw/zinc/08/94/27/445089427.db2.gz KAPQVAZVHJSYRV-DZGCQCFKSA-N 1 2 345.403 1.311 20 30 EDEDLO Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330709665 445106629 /nfs/dbraw/zinc/10/66/29/445106629.db2.gz OLEADZASVDNIBZ-OAHLLOKOSA-N 1 2 347.463 1.269 20 30 EDEDLO Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330709665 445106632 /nfs/dbraw/zinc/10/66/32/445106632.db2.gz OLEADZASVDNIBZ-OAHLLOKOSA-N 1 2 347.463 1.269 20 30 EDEDLO C=CCN(CCc1ccccc1)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000339251956 445115674 /nfs/dbraw/zinc/11/56/74/445115674.db2.gz CRVFXVRPKOYEDF-GOSISDBHSA-N 1 2 340.427 1.714 20 30 EDEDLO C=CCN(CCc1ccccc1)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000339251956 445115677 /nfs/dbraw/zinc/11/56/77/445115677.db2.gz CRVFXVRPKOYEDF-GOSISDBHSA-N 1 2 340.427 1.714 20 30 EDEDLO CC(C)CCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330744011 445122547 /nfs/dbraw/zinc/12/25/47/445122547.db2.gz URFVNURLFOLYTD-UHFFFAOYSA-N 1 2 333.436 1.841 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000330875127 445177070 /nfs/dbraw/zinc/17/70/70/445177070.db2.gz UDZNEOPXSVJVDX-AWEZNQCLSA-N 1 2 327.306 1.886 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000330875127 445177071 /nfs/dbraw/zinc/17/70/71/445177071.db2.gz UDZNEOPXSVJVDX-AWEZNQCLSA-N 1 2 327.306 1.886 20 30 EDEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000330887040 445182446 /nfs/dbraw/zinc/18/24/46/445182446.db2.gz SIKCENMXHCWRBH-OAHLLOKOSA-N 1 2 343.493 1.179 20 30 EDEDLO CC(C)(CNS(=O)(=O)Cc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000330788806 445142266 /nfs/dbraw/zinc/14/22/66/445142266.db2.gz YVQYVRWBKKYNTG-UHFFFAOYSA-N 1 2 337.445 1.088 20 30 EDEDLO C=CCN(C)C(=O)N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000346851606 445226430 /nfs/dbraw/zinc/22/64/30/445226430.db2.gz IMMCKFSMZLBOPF-XJKSGUPXSA-N 1 2 331.420 1.442 20 30 EDEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348309877 445252566 /nfs/dbraw/zinc/25/25/66/445252566.db2.gz VBGTXHZOJWVQES-XJKSGUPXSA-N 1 2 334.851 1.999 20 30 EDEDLO CC#CCCNC(=O)N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000347937990 445256771 /nfs/dbraw/zinc/25/67/71/445256771.db2.gz BVLVTRGUKLEEPK-YOEHRIQHSA-N 1 2 343.431 1.327 20 30 EDEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCCCCC#N ZINC000348394092 445274770 /nfs/dbraw/zinc/27/47/70/445274770.db2.gz RMQYHXCBXWJEGH-UHFFFAOYSA-N 1 2 337.445 1.446 20 30 EDEDLO N#Cc1ccc(CNC(=O)CN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000349117985 445513279 /nfs/dbraw/zinc/51/32/79/445513279.db2.gz LQLZXGJIBAIBKZ-UHFFFAOYSA-N 1 2 338.411 1.585 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000352773254 445553554 /nfs/dbraw/zinc/55/35/54/445553554.db2.gz AFOOQEPXEXQSQR-CJNGLKHVSA-N 1 2 345.447 1.635 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000352773254 445553559 /nfs/dbraw/zinc/55/35/59/445553559.db2.gz AFOOQEPXEXQSQR-CJNGLKHVSA-N 1 2 345.447 1.635 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(CCCO)CC2)c1 ZINC000360089552 445560575 /nfs/dbraw/zinc/56/05/75/445560575.db2.gz RCDLMXBHCFPLEZ-UHFFFAOYSA-N 1 2 336.457 1.816 20 30 EDEDLO C=C(C)C[N@@H+](CCN1CCCS1(=O)=O)Cc1cnn(C(C)C)c1 ZINC000352913926 445565379 /nfs/dbraw/zinc/56/53/79/445565379.db2.gz IMNQDJULXJXARZ-UHFFFAOYSA-N 1 2 340.493 1.878 20 30 EDEDLO C=C(C)C[N@H+](CCN1CCCS1(=O)=O)Cc1cnn(C(C)C)c1 ZINC000352913926 445565383 /nfs/dbraw/zinc/56/53/83/445565383.db2.gz IMNQDJULXJXARZ-UHFFFAOYSA-N 1 2 340.493 1.878 20 30 EDEDLO C=C(C)C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cnn(C(C)C)c1 ZINC000352946601 445567286 /nfs/dbraw/zinc/56/72/86/445567286.db2.gz JQBZQPLLAFWUOD-OAHLLOKOSA-N 1 2 349.479 1.435 20 30 EDEDLO C=C(C)C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cnn(C(C)C)c1 ZINC000352946601 445567290 /nfs/dbraw/zinc/56/72/90/445567290.db2.gz JQBZQPLLAFWUOD-OAHLLOKOSA-N 1 2 349.479 1.435 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(C)(C)C#N ZINC000353260221 445583608 /nfs/dbraw/zinc/58/36/08/445583608.db2.gz UDIAONVMKSDRHZ-AWEZNQCLSA-N 1 2 333.436 1.491 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(C)(C)C#N ZINC000353260221 445583613 /nfs/dbraw/zinc/58/36/13/445583613.db2.gz UDIAONVMKSDRHZ-AWEZNQCLSA-N 1 2 333.436 1.491 20 30 EDEDLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)CC2(C#N)CCC2)C[C@H](C)O1 ZINC000349443714 445588109 /nfs/dbraw/zinc/58/81/09/445588109.db2.gz AHGNZPGJLQWACX-OKILXGFUSA-N 1 2 329.466 1.051 20 30 EDEDLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)CC2(C#N)CCC2)C[C@H](C)O1 ZINC000349443714 445588114 /nfs/dbraw/zinc/58/81/14/445588114.db2.gz AHGNZPGJLQWACX-OKILXGFUSA-N 1 2 329.466 1.051 20 30 EDEDLO CC(C)(C#N)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000349570710 445614669 /nfs/dbraw/zinc/61/46/69/445614669.db2.gz CWQNMYSMSMAJGV-INIZCTEOSA-N 1 2 330.432 1.736 20 30 EDEDLO CC(C)(C#N)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000349570710 445614673 /nfs/dbraw/zinc/61/46/73/445614673.db2.gz CWQNMYSMSMAJGV-INIZCTEOSA-N 1 2 330.432 1.736 20 30 EDEDLO COC(=O)C[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CCCC1 ZINC000353566178 445658565 /nfs/dbraw/zinc/65/85/65/445658565.db2.gz AJNCUJKZJOFAKB-UHFFFAOYSA-N 1 2 329.400 1.592 20 30 EDEDLO COC(=O)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CCCC1 ZINC000353566178 445658569 /nfs/dbraw/zinc/65/85/69/445658569.db2.gz AJNCUJKZJOFAKB-UHFFFAOYSA-N 1 2 329.400 1.592 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OC)c(OCC)c2)CC1 ZINC000349787859 445679446 /nfs/dbraw/zinc/67/94/46/445679446.db2.gz NPUPVHWFJZGLKW-UHFFFAOYSA-N 1 2 347.459 1.514 20 30 EDEDLO C=CCCCCNC(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000349913958 445719962 /nfs/dbraw/zinc/71/99/62/445719962.db2.gz RWRWSKCXILQMMY-HZPDHXFCSA-N 1 2 337.443 1.988 20 30 EDEDLO C=CCCCCNC(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000349913958 445719969 /nfs/dbraw/zinc/71/99/69/445719969.db2.gz RWRWSKCXILQMMY-HZPDHXFCSA-N 1 2 337.443 1.988 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000349877486 445708997 /nfs/dbraw/zinc/70/89/97/445708997.db2.gz SGWXSJCIALLKKC-SFHVURJKSA-N 1 2 328.416 1.370 20 30 EDEDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349880326 445709647 /nfs/dbraw/zinc/70/96/47/445709647.db2.gz KPJVWUUMFRPJQR-AWEZNQCLSA-N 1 2 346.479 1.416 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000349953529 445733234 /nfs/dbraw/zinc/73/32/34/445733234.db2.gz CEMLNDLAMNQVSZ-HZPDHXFCSA-N 1 2 335.427 1.387 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000349953529 445733235 /nfs/dbraw/zinc/73/32/35/445733235.db2.gz CEMLNDLAMNQVSZ-HZPDHXFCSA-N 1 2 335.427 1.387 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000356347672 445746211 /nfs/dbraw/zinc/74/62/11/445746211.db2.gz RIGWMQBWFAWZLQ-SCTDSRPQSA-N 1 2 330.428 1.425 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000356347672 445746216 /nfs/dbraw/zinc/74/62/16/445746216.db2.gz RIGWMQBWFAWZLQ-SCTDSRPQSA-N 1 2 330.428 1.425 20 30 EDEDLO C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC000356361733 445752291 /nfs/dbraw/zinc/75/22/91/445752291.db2.gz BERRGYBIOPQGJU-DYVFJYSZSA-N 1 2 339.436 1.085 20 30 EDEDLO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)nn1 ZINC000356404501 445774599 /nfs/dbraw/zinc/77/45/99/445774599.db2.gz CAPCAKQDPXWELX-LLVKDONJSA-N 1 2 332.389 1.230 20 30 EDEDLO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)nn1 ZINC000356404501 445774600 /nfs/dbraw/zinc/77/46/00/445774600.db2.gz CAPCAKQDPXWELX-LLVKDONJSA-N 1 2 332.389 1.230 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cnn(C)c1C#N)c1ccc(F)cc1 ZINC000353854644 445785270 /nfs/dbraw/zinc/78/52/70/445785270.db2.gz YJEJPGUAPLGFRB-OAHLLOKOSA-N 1 2 338.346 1.684 20 30 EDEDLO Cc1onc(CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1C#N ZINC000353878443 445794387 /nfs/dbraw/zinc/79/43/87/445794387.db2.gz DOOALLIDRJPVHS-UHFFFAOYSA-N 1 2 335.367 1.958 20 30 EDEDLO CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC)C[C@H](C)C#N ZINC000356468894 445806911 /nfs/dbraw/zinc/80/69/11/445806911.db2.gz CYTHUKCFZYTFRR-PBHICJAKSA-N 1 2 343.427 1.594 20 30 EDEDLO CC[N@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC)C[C@H](C)C#N ZINC000356468894 445806915 /nfs/dbraw/zinc/80/69/15/445806915.db2.gz CYTHUKCFZYTFRR-PBHICJAKSA-N 1 2 343.427 1.594 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)CCCCC1 ZINC000363672341 445868447 /nfs/dbraw/zinc/86/84/47/445868447.db2.gz MXSNVEBIVUVOMS-INIZCTEOSA-N 1 2 346.475 1.806 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)CCCCC1 ZINC000363672341 445868451 /nfs/dbraw/zinc/86/84/51/445868451.db2.gz MXSNVEBIVUVOMS-INIZCTEOSA-N 1 2 346.475 1.806 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000364144681 445897893 /nfs/dbraw/zinc/89/78/93/445897893.db2.gz WIEFWMALSZBJCU-GOSISDBHSA-N 1 2 347.438 1.787 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000364144681 445897896 /nfs/dbraw/zinc/89/78/96/445897896.db2.gz WIEFWMALSZBJCU-GOSISDBHSA-N 1 2 347.438 1.787 20 30 EDEDLO C#CCOCCC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000364713812 445948888 /nfs/dbraw/zinc/94/88/88/445948888.db2.gz XANFZTJLZWDLHK-MRXNPFEDSA-N 1 2 343.427 1.701 20 30 EDEDLO CCCN1C(=O)CC[C@H](C(=O)N[C@H](C#N)C(C)C)[C@@H]1c1c[nH+]cn1C ZINC000361881534 446037151 /nfs/dbraw/zinc/03/71/51/446037151.db2.gz VESSXSNVKCRTCB-JJRVBVJISA-N 1 2 345.447 1.774 20 30 EDEDLO C#CCCCS(=O)(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000366183822 446068349 /nfs/dbraw/zinc/06/83/49/446068349.db2.gz NPNNXISPQBPQOF-XHSDSOJGSA-N 1 2 328.478 1.303 20 30 EDEDLO C#CCCCS(=O)(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000366183822 446068351 /nfs/dbraw/zinc/06/83/51/446068351.db2.gz NPNNXISPQBPQOF-XHSDSOJGSA-N 1 2 328.478 1.303 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000373178398 446077119 /nfs/dbraw/zinc/07/71/19/446077119.db2.gz HOLGXXZQJWHEMN-INIZCTEOSA-N 1 2 341.411 1.717 20 30 EDEDLO CCCCCCCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000369507945 446126412 /nfs/dbraw/zinc/12/64/12/446126412.db2.gz SNCVPEOVFKSDMK-INIZCTEOSA-N 1 2 339.480 1.396 20 30 EDEDLO COc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000359607677 446316525 /nfs/dbraw/zinc/31/65/25/446316525.db2.gz HJHDPFLZMKSDPG-UHFFFAOYSA-N 1 2 333.392 1.170 20 30 EDEDLO Cc1cccc(S(=O)(=O)NC[C@H]2CCCn3cc[nH+]c32)c1C#N ZINC000366717102 446321303 /nfs/dbraw/zinc/32/13/03/446321303.db2.gz GSVWFLOESWCLRZ-CYBMUJFWSA-N 1 2 330.413 1.919 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc3ccc(C)cc3c2)CC1 ZINC000411132445 446407000 /nfs/dbraw/zinc/40/70/00/446407000.db2.gz YWFABEWNYJQRLI-UHFFFAOYSA-N 1 2 338.455 1.963 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000367040444 446483074 /nfs/dbraw/zinc/48/30/74/446483074.db2.gz JOLRCTFRBZHXRW-CABCVRRESA-N 1 2 338.371 1.859 20 30 EDEDLO Cc1cc(NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)n(C)n1 ZINC000367065167 446499337 /nfs/dbraw/zinc/49/93/37/446499337.db2.gz HDNBPPACVVYCPQ-UHFFFAOYSA-N 1 2 338.415 1.619 20 30 EDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000434694815 446657561 /nfs/dbraw/zinc/65/75/61/446657561.db2.gz WGDBXCLFHQUULW-INIZCTEOSA-N 1 2 330.432 1.127 20 30 EDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000434694815 446657572 /nfs/dbraw/zinc/65/75/72/446657572.db2.gz WGDBXCLFHQUULW-INIZCTEOSA-N 1 2 330.432 1.127 20 30 EDEDLO C[N@H+](CCN1CCOC(C)(C)C1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000434694815 446657579 /nfs/dbraw/zinc/65/75/79/446657579.db2.gz WGDBXCLFHQUULW-INIZCTEOSA-N 1 2 330.432 1.127 20 30 EDEDLO C[N@@H+](CCN1CCOC(C)(C)C1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000434694815 446657586 /nfs/dbraw/zinc/65/75/86/446657586.db2.gz WGDBXCLFHQUULW-INIZCTEOSA-N 1 2 330.432 1.127 20 30 EDEDLO C=C(C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000453897733 446700555 /nfs/dbraw/zinc/70/05/55/446700555.db2.gz WGLGTFYPQUSPPI-UHFFFAOYSA-N 1 2 331.416 1.540 20 30 EDEDLO C=C(C)COCCNC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000435304022 446684750 /nfs/dbraw/zinc/68/47/50/446684750.db2.gz DJNNCLUUJKXGNP-MRXNPFEDSA-N 1 2 325.453 1.331 20 30 EDEDLO C=C(C)COCCNC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000435304022 446684753 /nfs/dbraw/zinc/68/47/53/446684753.db2.gz DJNNCLUUJKXGNP-MRXNPFEDSA-N 1 2 325.453 1.331 20 30 EDEDLO Cn1ccnc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)c1=O ZINC000437579266 446753380 /nfs/dbraw/zinc/75/33/80/446753380.db2.gz QKZKBNLRIXWOCZ-UHFFFAOYSA-N 1 2 342.830 1.607 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000411980150 446773334 /nfs/dbraw/zinc/77/33/34/446773334.db2.gz ITWMOHIVECWTQM-DNVCBOLYSA-N 1 2 326.396 1.883 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000411980150 446773341 /nfs/dbraw/zinc/77/33/41/446773341.db2.gz ITWMOHIVECWTQM-DNVCBOLYSA-N 1 2 326.396 1.883 20 30 EDEDLO CC1(C)C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](CO)O1 ZINC000420936253 446908609 /nfs/dbraw/zinc/90/86/09/446908609.db2.gz KSEIBJBJDNNTSZ-IRXDYDNUSA-N 1 2 343.427 1.525 20 30 EDEDLO CC1(C)C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](CO)O1 ZINC000420936253 446908616 /nfs/dbraw/zinc/90/86/16/446908616.db2.gz KSEIBJBJDNNTSZ-IRXDYDNUSA-N 1 2 343.427 1.525 20 30 EDEDLO C=CCOCCNC(=O)N1CCC[N@@H+](Cc2nccn2C(C)C)CC1 ZINC000377385298 447103418 /nfs/dbraw/zinc/10/34/18/447103418.db2.gz DTJAHIPAFUDEPW-UHFFFAOYSA-N 1 2 349.479 1.884 20 30 EDEDLO C=CCOCCNC(=O)N1CCC[N@H+](Cc2nccn2C(C)C)CC1 ZINC000377385298 447103421 /nfs/dbraw/zinc/10/34/21/447103421.db2.gz DTJAHIPAFUDEPW-UHFFFAOYSA-N 1 2 349.479 1.884 20 30 EDEDLO C=CCOCCNC(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000377385298 447103428 /nfs/dbraw/zinc/10/34/28/447103428.db2.gz DTJAHIPAFUDEPW-UHFFFAOYSA-N 1 2 349.479 1.884 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2ncc(C#N)cc2F)C1 ZINC000413271767 447107394 /nfs/dbraw/zinc/10/73/94/447107394.db2.gz QHNHWNZARWRDSK-KRWDZBQOSA-N 1 2 334.395 1.992 20 30 EDEDLO Cc1cc(N2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000372568018 447147857 /nfs/dbraw/zinc/14/78/57/447147857.db2.gz GVGKBCFLOVIHMK-UHFFFAOYSA-N 1 2 338.415 1.028 20 30 EDEDLO CN1CCC2(CC[NH+](CC(=O)Nc3sccc3C#N)CC2)C1=O ZINC000376029077 447219240 /nfs/dbraw/zinc/21/92/40/447219240.db2.gz MOQIIXKZEOZGKY-UHFFFAOYSA-N 1 2 332.429 1.503 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368964795 447230547 /nfs/dbraw/zinc/23/05/47/447230547.db2.gz HQANLXQMKDJLMI-DETPVDSQSA-N 1 2 346.818 1.736 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368964795 447230555 /nfs/dbraw/zinc/23/05/55/447230555.db2.gz HQANLXQMKDJLMI-DETPVDSQSA-N 1 2 346.818 1.736 20 30 EDEDLO CO/N=C/C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000377683496 447292602 /nfs/dbraw/zinc/29/26/02/447292602.db2.gz SWFBNJSXQLTMLO-ZYGDNQFUSA-N 1 2 325.796 1.460 20 30 EDEDLO CO/N=C/C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000377683496 447292606 /nfs/dbraw/zinc/29/26/06/447292606.db2.gz SWFBNJSXQLTMLO-ZYGDNQFUSA-N 1 2 325.796 1.460 20 30 EDEDLO C=CCCCNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000448002641 447301694 /nfs/dbraw/zinc/30/16/94/447301694.db2.gz WOYDKRNSOINBKA-UHFFFAOYSA-N 1 2 325.453 1.522 20 30 EDEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3nccc(C#N)n3)CC2)C1 ZINC000450325153 447456694 /nfs/dbraw/zinc/45/66/94/447456694.db2.gz CBBUPMZDBLLEJS-HUUCEWRRSA-N 1 2 342.447 1.165 20 30 EDEDLO C=CCC[C@H]1NC(=O)N(C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1=O ZINC000419989222 447531317 /nfs/dbraw/zinc/53/13/17/447531317.db2.gz AOFAPCHLGURFLK-QWHCGFSZSA-N 1 2 344.419 1.374 20 30 EDEDLO C=CCC[C@H]1NC(=O)N(C[C@@H]2CCCN2c2cc(NC)nc[nH+]2)C1=O ZINC000419989222 447531322 /nfs/dbraw/zinc/53/13/22/447531322.db2.gz AOFAPCHLGURFLK-QWHCGFSZSA-N 1 2 344.419 1.374 20 30 EDEDLO COc1cccc([C@@H](C)[NH+]2CCN(S(=O)(=O)[C@@H](C)C#N)CC2)c1 ZINC000416388024 447589682 /nfs/dbraw/zinc/58/96/82/447589682.db2.gz MLGGQWAPNYHMFW-UONOGXRCSA-N 1 2 337.445 1.616 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422435184 447551028 /nfs/dbraw/zinc/55/10/28/447551028.db2.gz RJKDEOXSMRJPBO-HZPDHXFCSA-N 1 2 331.416 1.412 20 30 EDEDLO C=CC[C@@H](C(=O)N1CC[NH+](CCn2cncn2)CC1)c1ccccc1 ZINC000427459240 447600560 /nfs/dbraw/zinc/60/05/60/447600560.db2.gz QNEPOXFMSRFXNK-GOSISDBHSA-N 1 2 339.443 1.782 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000416454017 447608477 /nfs/dbraw/zinc/60/84/77/447608477.db2.gz RVXMEPSBUPVOSY-IIMNLJJBSA-N 1 2 329.372 1.541 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000416454017 447608482 /nfs/dbraw/zinc/60/84/82/447608482.db2.gz RVXMEPSBUPVOSY-IIMNLJJBSA-N 1 2 329.372 1.541 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)CC(C)(C)CC#N ZINC000451530661 447737104 /nfs/dbraw/zinc/73/71/04/447737104.db2.gz IHJMGWGOUOWPGZ-UONOGXRCSA-N 1 2 329.466 1.051 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)CC(C)(C)CC#N ZINC000451573130 447739214 /nfs/dbraw/zinc/73/92/14/447739214.db2.gz YLROVEKPMJZENU-ZIAGYGMSSA-N 1 2 329.466 1.051 20 30 EDEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000451931133 447788190 /nfs/dbraw/zinc/78/81/90/447788190.db2.gz LHKSZKMWKAJRCK-GFCCVEGCSA-N 1 2 343.399 1.941 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000451931133 447788193 /nfs/dbraw/zinc/78/81/93/447788193.db2.gz LHKSZKMWKAJRCK-GFCCVEGCSA-N 1 2 343.399 1.941 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000488906733 447851011 /nfs/dbraw/zinc/85/10/11/447851011.db2.gz ZMBOSEWGYZMYPQ-AWEZNQCLSA-N 1 2 340.431 1.393 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000488906733 447851013 /nfs/dbraw/zinc/85/10/13/447851013.db2.gz ZMBOSEWGYZMYPQ-AWEZNQCLSA-N 1 2 340.431 1.393 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)N[C@@H](C#N)C(C)C)[C@@H]1c1c[nH+]cn1C ZINC000484144439 447825197 /nfs/dbraw/zinc/82/51/97/447825197.db2.gz VESSXSNVKCRTCB-JKIFEVAISA-N 1 2 345.447 1.774 20 30 EDEDLO Cc1nsc(N2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)c1C#N ZINC000569823069 447900918 /nfs/dbraw/zinc/90/09/18/447900918.db2.gz DBJIIDWQJWGCIC-LLVKDONJSA-N 1 2 344.444 1.574 20 30 EDEDLO Cc1nsc(N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)c1C#N ZINC000569823069 447900922 /nfs/dbraw/zinc/90/09/22/447900922.db2.gz DBJIIDWQJWGCIC-LLVKDONJSA-N 1 2 344.444 1.574 20 30 EDEDLO CC(C)c1nc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)no1 ZINC000576080719 447966481 /nfs/dbraw/zinc/96/64/81/447966481.db2.gz LCBZLGOHCCZMEG-UHFFFAOYSA-N 1 2 343.387 1.107 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cn2nc(C(F)(F)F)cc2C)CC1 ZINC000491230419 447967805 /nfs/dbraw/zinc/96/78/05/447967805.db2.gz MVXQKICQZJVTOV-UHFFFAOYSA-N 1 2 328.338 1.629 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)OC[C@H]2c2ccccc2)CC1 ZINC000491241719 447969995 /nfs/dbraw/zinc/96/99/95/447969995.db2.gz LINDQNWSUARRNT-HKUYNNGSSA-N 1 2 341.455 1.226 20 30 EDEDLO CCN1CCN(CC(=O)Nc2sccc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000525827821 448034844 /nfs/dbraw/zinc/03/48/44/448034844.db2.gz GMFWDNDSUFMWNQ-CYBMUJFWSA-N 1 2 344.444 1.660 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc4c3OCO4)CC2)c1C#N ZINC000526074475 448094970 /nfs/dbraw/zinc/09/49/70/448094970.db2.gz KBWCMJIGGYKDFS-UHFFFAOYSA-N 1 2 339.399 1.651 20 30 EDEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000505755753 448125529 /nfs/dbraw/zinc/12/55/29/448125529.db2.gz HJYHPUZHZVKGRF-UHFFFAOYSA-N 1 2 349.479 1.884 20 30 EDEDLO COc1ccc(OCC[NH+]2CCN(C(=O)CC#N)CC2)c([N+](=O)[O-])c1 ZINC000571414466 448150060 /nfs/dbraw/zinc/15/00/60/448150060.db2.gz PMYZWSRFQXGXAC-UHFFFAOYSA-N 1 2 348.359 1.040 20 30 EDEDLO CCNC(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000497080163 448182368 /nfs/dbraw/zinc/18/23/68/448182368.db2.gz SYJDYYWJDJCHGA-RHSMWYFYSA-N 1 2 336.436 1.395 20 30 EDEDLO CCNC(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000497080163 448182374 /nfs/dbraw/zinc/18/23/74/448182374.db2.gz SYJDYYWJDJCHGA-RHSMWYFYSA-N 1 2 336.436 1.395 20 30 EDEDLO C[N@H+](CCN1CCCC1=O)CC(=O)Nc1ccccc1SCC#N ZINC000532572095 448275650 /nfs/dbraw/zinc/27/56/50/448275650.db2.gz BAGIYXBEKMTYPI-UHFFFAOYSA-N 1 2 346.456 1.795 20 30 EDEDLO C[N@@H+](CCN1CCCC1=O)CC(=O)Nc1ccccc1SCC#N ZINC000532572095 448275653 /nfs/dbraw/zinc/27/56/53/448275653.db2.gz BAGIYXBEKMTYPI-UHFFFAOYSA-N 1 2 346.456 1.795 20 30 EDEDLO CCc1ccccc1-n1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1 ZINC000565484706 448369970 /nfs/dbraw/zinc/36/99/70/448369970.db2.gz ZXRZFPSITISBJE-QGZVFWFLSA-N 1 2 326.404 1.403 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000583148975 448424855 /nfs/dbraw/zinc/42/48/55/448424855.db2.gz WNOUHCXFKDBUKB-RDTXWAMCSA-N 1 2 343.406 1.484 20 30 EDEDLO Cc1cc(C)c(C#N)c(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)n1 ZINC000528133886 448442286 /nfs/dbraw/zinc/44/22/86/448442286.db2.gz QKUKKRDMVCOVLP-SFHVURJKSA-N 1 2 330.432 1.598 20 30 EDEDLO Cc1cc(C)c(C#N)c(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)n1 ZINC000528133886 448442293 /nfs/dbraw/zinc/44/22/93/448442293.db2.gz QKUKKRDMVCOVLP-SFHVURJKSA-N 1 2 330.432 1.598 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000516702399 448464213 /nfs/dbraw/zinc/46/42/13/448464213.db2.gz SZCKYXQAKRGXHQ-UHFFFAOYSA-N 1 2 327.413 1.436 20 30 EDEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000566423039 448464630 /nfs/dbraw/zinc/46/46/30/448464630.db2.gz JWZNCZRHCCJPQM-CQSZACIVSA-N 1 2 337.807 1.138 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000566807311 448563288 /nfs/dbraw/zinc/56/32/88/448563288.db2.gz MDKVXRXYFUQGED-UHFFFAOYSA-N 1 2 344.459 1.901 20 30 EDEDLO Cc1nn(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1-c1ccccc1 ZINC000578873085 448658448 /nfs/dbraw/zinc/65/84/48/448658448.db2.gz LGJQYZGORXZFKW-SFHVURJKSA-N 1 2 325.416 1.819 20 30 EDEDLO CCN(C(=O)[C@@H](C)[NH+]1CCC(CC#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000541025155 448664934 /nfs/dbraw/zinc/66/49/34/448664934.db2.gz UGHXSRXPOKEPFA-UKRRQHHQSA-N 1 2 341.477 1.036 20 30 EDEDLO N#CCC[C@@H](C#N)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000518364780 448668891 /nfs/dbraw/zinc/66/88/91/448668891.db2.gz XHTYMXXXKMMFTK-LBPRGKRZSA-N 1 2 336.373 1.402 20 30 EDEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1Cc1ccccc1 ZINC000573614835 448671070 /nfs/dbraw/zinc/67/10/70/448671070.db2.gz PQISZCFLHXBUFM-SFHVURJKSA-N 1 2 325.416 1.814 20 30 EDEDLO CC[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@]2(CCOC2)O1 ZINC000567167292 448627587 /nfs/dbraw/zinc/62/75/87/448627587.db2.gz MGFSVGGYDJMKDU-WBVHZDCISA-N 1 2 327.388 1.371 20 30 EDEDLO CC[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@]2(CCOC2)O1 ZINC000567167292 448627589 /nfs/dbraw/zinc/62/75/89/448627589.db2.gz MGFSVGGYDJMKDU-WBVHZDCISA-N 1 2 327.388 1.371 20 30 EDEDLO CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000573455308 448632104 /nfs/dbraw/zinc/63/21/04/448632104.db2.gz GKHDWSWGGBBQIJ-OAHLLOKOSA-N 1 2 335.423 1.853 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000578775962 448635398 /nfs/dbraw/zinc/63/53/98/448635398.db2.gz PXTLVUBTHRQQEH-UNGSAITNSA-N 1 2 337.464 1.701 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1C#N ZINC000517957993 448635289 /nfs/dbraw/zinc/63/52/89/448635289.db2.gz XWPPPJXKMAJVIE-MRXNPFEDSA-N 1 2 343.427 1.641 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)c1C#N ZINC000517957993 448635293 /nfs/dbraw/zinc/63/52/93/448635293.db2.gz XWPPPJXKMAJVIE-MRXNPFEDSA-N 1 2 343.427 1.641 20 30 EDEDLO COC(=O)c1cn(C2CC[NH+](Cc3ccncc3C#N)CC2)nn1 ZINC000592102293 448685808 /nfs/dbraw/zinc/68/58/08/448685808.db2.gz GIIPMXFXYODDLQ-UHFFFAOYSA-N 1 2 326.360 1.168 20 30 EDEDLO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147615 448707458 /nfs/dbraw/zinc/70/74/58/448707458.db2.gz MQUMIQOUOCZVJZ-AWEZNQCLSA-N 1 2 327.837 1.710 20 30 EDEDLO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147615 448707463 /nfs/dbraw/zinc/70/74/63/448707463.db2.gz MQUMIQOUOCZVJZ-AWEZNQCLSA-N 1 2 327.837 1.710 20 30 EDEDLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147286 448707785 /nfs/dbraw/zinc/70/77/85/448707785.db2.gz NFRCZKUVIBLLJK-QIIPPGSGSA-N 1 2 329.400 1.365 20 30 EDEDLO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147286 448707792 /nfs/dbraw/zinc/70/77/92/448707792.db2.gz NFRCZKUVIBLLJK-QIIPPGSGSA-N 1 2 329.400 1.365 20 30 EDEDLO CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592151833 448713523 /nfs/dbraw/zinc/71/35/23/448713523.db2.gz RPOSOBPNOHGRQP-SFHVURJKSA-N 1 2 331.416 1.190 20 30 EDEDLO CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592151833 448713530 /nfs/dbraw/zinc/71/35/30/448713530.db2.gz RPOSOBPNOHGRQP-SFHVURJKSA-N 1 2 331.416 1.190 20 30 EDEDLO CC1(C#N)CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000567802563 448764094 /nfs/dbraw/zinc/76/40/94/448764094.db2.gz KNGJFEMGXFIEKT-UHFFFAOYSA-N 1 2 328.416 1.680 20 30 EDEDLO CCOCC[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000544715050 448767258 /nfs/dbraw/zinc/76/72/58/448767258.db2.gz ZVVBOXMGBVOHCT-UHFFFAOYSA-N 1 2 329.466 1.054 20 30 EDEDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 ZINC000567651409 448728800 /nfs/dbraw/zinc/72/88/00/448728800.db2.gz UWOJZVARTFLQKH-UHFFFAOYSA-N 1 2 331.482 1.299 20 30 EDEDLO C[C@H](NC[C@H](O)C[N@H+](C)CCC#N)c1noc(-c2ccccc2)n1 ZINC000579463390 448798822 /nfs/dbraw/zinc/79/88/22/448798822.db2.gz QDENXRFBBVPNNL-ZFWWWQNUSA-N 1 2 329.404 1.594 20 30 EDEDLO C[C@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1noc(-c2ccccc2)n1 ZINC000579463390 448798827 /nfs/dbraw/zinc/79/88/27/448798827.db2.gz QDENXRFBBVPNNL-ZFWWWQNUSA-N 1 2 329.404 1.594 20 30 EDEDLO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1noc(-c2ccccc2)n1 ZINC000579463390 448798829 /nfs/dbraw/zinc/79/88/29/448798829.db2.gz QDENXRFBBVPNNL-ZFWWWQNUSA-N 1 2 329.404 1.594 20 30 EDEDLO N#CC[C@]1(O)CCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000592523305 448877001 /nfs/dbraw/zinc/87/70/01/448877001.db2.gz YDHADIMMUOXACC-AWEZNQCLSA-N 1 2 335.205 1.947 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)nc1 ZINC000574455659 448878641 /nfs/dbraw/zinc/87/86/41/448878641.db2.gz GBZOSSBTSOWWLB-GOEBONIOSA-N 1 2 337.383 1.392 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)CCCCCC#N)C1=O ZINC000588163575 448880184 /nfs/dbraw/zinc/88/01/84/448880184.db2.gz ADOFTOPEFYUGRJ-CQSZACIVSA-N 1 2 331.420 1.501 20 30 EDEDLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595613492 449080680 /nfs/dbraw/zinc/08/06/80/449080680.db2.gz DCWWVXOUNVQLRH-GFCCVEGCSA-N 1 2 333.392 1.161 20 30 EDEDLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613492 449080684 /nfs/dbraw/zinc/08/06/84/449080684.db2.gz DCWWVXOUNVQLRH-GFCCVEGCSA-N 1 2 333.392 1.161 20 30 EDEDLO COc1cc(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1C#N ZINC000595635159 449092836 /nfs/dbraw/zinc/09/28/36/449092836.db2.gz KTZJUDKWMYXQPL-MRXNPFEDSA-N 1 2 344.415 1.183 20 30 EDEDLO CC(C)(C)n1nnc(CC[NH+]2CCN(c3ccsc3C#N)CC2)n1 ZINC000595635271 449093135 /nfs/dbraw/zinc/09/31/35/449093135.db2.gz FRNUGUDTYUKNCU-UHFFFAOYSA-N 1 2 345.476 1.726 20 30 EDEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CC2(C#N)CC2)CC1 ZINC000590152432 449111525 /nfs/dbraw/zinc/11/15/25/449111525.db2.gz ALKBCFKGEVBBEB-UHFFFAOYSA-N 1 2 326.400 1.707 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000593154660 449153976 /nfs/dbraw/zinc/15/39/76/449153976.db2.gz QMHXBKYYVYUNRF-QGZVFWFLSA-N 1 2 334.395 1.236 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756965 449150442 /nfs/dbraw/zinc/15/04/42/449150442.db2.gz JCHVWHZDEHBEDZ-KBXCAEBGSA-N 1 2 337.383 1.139 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756965 449150447 /nfs/dbraw/zinc/15/04/47/449150447.db2.gz JCHVWHZDEHBEDZ-KBXCAEBGSA-N 1 2 337.383 1.139 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H](C)CO1 ZINC000597992134 449176134 /nfs/dbraw/zinc/17/61/34/449176134.db2.gz AWAKINPUTBUBDL-GJZGRUSLSA-N 1 2 327.428 1.815 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H](C)CO1 ZINC000597992134 449176139 /nfs/dbraw/zinc/17/61/39/449176139.db2.gz AWAKINPUTBUBDL-GJZGRUSLSA-N 1 2 327.428 1.815 20 30 EDEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CC[C@](C)(C#N)C1)CC2 ZINC000595836059 449200147 /nfs/dbraw/zinc/20/01/47/449200147.db2.gz VHORAPOAAQSRBB-LJQANCHMSA-N 1 2 343.427 1.824 20 30 EDEDLO COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CC[C@](C)(C#N)C1)CC2 ZINC000595836059 449200150 /nfs/dbraw/zinc/20/01/50/449200150.db2.gz VHORAPOAAQSRBB-LJQANCHMSA-N 1 2 343.427 1.824 20 30 EDEDLO C[C@@]1(C#N)CC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000595839886 449200891 /nfs/dbraw/zinc/20/08/91/449200891.db2.gz JLYFKHDAKSGZEH-SFHVURJKSA-N 1 2 330.407 1.710 20 30 EDEDLO C[C@@]1(C#N)CC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000595839886 449200895 /nfs/dbraw/zinc/20/08/95/449200895.db2.gz JLYFKHDAKSGZEH-SFHVURJKSA-N 1 2 330.407 1.710 20 30 EDEDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000611175345 449202145 /nfs/dbraw/zinc/20/21/45/449202145.db2.gz FDABGMVZGJGVNQ-QGZVFWFLSA-N 1 2 330.432 1.944 20 30 EDEDLO N#Cc1cccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c1 ZINC000590587926 449204097 /nfs/dbraw/zinc/20/40/97/449204097.db2.gz JGBBLNCRKGOXGF-UHFFFAOYSA-N 1 2 334.379 1.472 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H](C#N)CCc2ccccc2)[C@@H](C)CO1 ZINC000597999380 449185266 /nfs/dbraw/zinc/18/52/66/449185266.db2.gz WBHJZXVBLWDVSQ-LZLYRXPVSA-N 1 2 329.444 1.984 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C#N)CCc2ccccc2)[C@@H](C)CO1 ZINC000597999380 449185270 /nfs/dbraw/zinc/18/52/70/449185270.db2.gz WBHJZXVBLWDVSQ-LZLYRXPVSA-N 1 2 329.444 1.984 20 30 EDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602044196 449296230 /nfs/dbraw/zinc/29/62/30/449296230.db2.gz BXFSOFYBJJWJTN-SNVBAGLBSA-N 1 2 329.335 1.730 20 30 EDEDLO Cc1onc(CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1C#N ZINC000611524255 449320551 /nfs/dbraw/zinc/32/05/51/449320551.db2.gz OCVZIOFEZRVVQR-CQSZACIVSA-N 1 2 332.404 1.111 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNc3c(C#N)cnn3C)c[nH+]2)C[C@@H](C)O1 ZINC000596077991 449352319 /nfs/dbraw/zinc/35/23/19/449352319.db2.gz XQPWLJHEFPKMJQ-CHWSQXEVSA-N 1 2 326.404 1.912 20 30 EDEDLO N#CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCCCC1 ZINC000600682910 449490785 /nfs/dbraw/zinc/49/07/85/449490785.db2.gz OQMZUNWRMSKQDQ-QGZVFWFLSA-N 1 2 342.443 1.873 20 30 EDEDLO N#CC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCCC1 ZINC000600682910 449490793 /nfs/dbraw/zinc/49/07/93/449490793.db2.gz OQMZUNWRMSKQDQ-QGZVFWFLSA-N 1 2 342.443 1.873 20 30 EDEDLO N#Cc1cccc(CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)n1 ZINC000602434126 449583647 /nfs/dbraw/zinc/58/36/47/449583647.db2.gz MXCUBXQLPNHLAX-UHFFFAOYSA-N 1 2 349.438 1.387 20 30 EDEDLO N#Cc1c(F)cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000596658491 449590390 /nfs/dbraw/zinc/59/03/90/449590390.db2.gz JJEINXXIDASBML-CYBMUJFWSA-N 1 2 335.354 1.773 20 30 EDEDLO N#CCc1ccccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000601010056 449651729 /nfs/dbraw/zinc/65/17/29/449651729.db2.gz GSEJLAGJGZOTLO-GOSISDBHSA-N 1 2 345.468 1.690 20 30 EDEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000614605578 449706639 /nfs/dbraw/zinc/70/66/39/449706639.db2.gz GZDKXFNMYJGFKC-WMZOPIPTSA-N 1 2 345.443 1.435 20 30 EDEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000614605578 449706640 /nfs/dbraw/zinc/70/66/40/449706640.db2.gz GZDKXFNMYJGFKC-WMZOPIPTSA-N 1 2 345.443 1.435 20 30 EDEDLO N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000597053183 449787061 /nfs/dbraw/zinc/78/70/61/449787061.db2.gz XWYQDIBMWLYQAI-AWEZNQCLSA-N 1 2 335.411 1.735 20 30 EDEDLO N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000597053183 449787070 /nfs/dbraw/zinc/78/70/70/449787070.db2.gz XWYQDIBMWLYQAI-AWEZNQCLSA-N 1 2 335.411 1.735 20 30 EDEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](CC1(CC#N)CC1)C2 ZINC000602829606 449840583 /nfs/dbraw/zinc/84/05/83/449840583.db2.gz WEKWNCUMQYAIAR-UHFFFAOYSA-N 1 2 333.457 1.989 20 30 EDEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](CC1(CC#N)CC1)C2 ZINC000602829606 449840586 /nfs/dbraw/zinc/84/05/86/449840586.db2.gz WEKWNCUMQYAIAR-UHFFFAOYSA-N 1 2 333.457 1.989 20 30 EDEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccccc1CC#N ZINC000601349171 449861494 /nfs/dbraw/zinc/86/14/94/449861494.db2.gz IEHWUNGZDIQSKH-GDBMZVCRSA-N 1 2 333.457 2.000 20 30 EDEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccccc1CC#N ZINC000601349171 449861501 /nfs/dbraw/zinc/86/15/01/449861501.db2.gz IEHWUNGZDIQSKH-GDBMZVCRSA-N 1 2 333.457 2.000 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000614923524 449878218 /nfs/dbraw/zinc/87/82/18/449878218.db2.gz BDGMWGKIAAFTSI-GXFFZTMASA-N 1 2 337.342 1.430 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000614923524 449878222 /nfs/dbraw/zinc/87/82/22/449878222.db2.gz BDGMWGKIAAFTSI-GXFFZTMASA-N 1 2 337.342 1.430 20 30 EDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000602870712 449879299 /nfs/dbraw/zinc/87/92/99/449879299.db2.gz VYIGCHLRZPCETG-SECBINFHSA-N 1 2 329.809 1.574 20 30 EDEDLO N#CCC[N@H+](Cc1ccccn1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599308676 449879580 /nfs/dbraw/zinc/87/95/80/449879580.db2.gz UYRSHRMFXXPWKO-QGZVFWFLSA-N 1 2 328.416 1.869 20 30 EDEDLO N#CCC[N@@H+](Cc1ccccn1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599308676 449879583 /nfs/dbraw/zinc/87/95/83/449879583.db2.gz UYRSHRMFXXPWKO-QGZVFWFLSA-N 1 2 328.416 1.869 20 30 EDEDLO CC1(C)[C@H](NS(=O)(=O)CC2(CC#N)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000601452658 449976058 /nfs/dbraw/zinc/97/60/58/449976058.db2.gz LVQQGPNAEWRWNJ-ZIAGYGMSSA-N 1 2 341.477 1.099 20 30 EDEDLO CC1(C)[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000601453349 449976652 /nfs/dbraw/zinc/97/66/52/449976652.db2.gz RYZKIIIGLHWVCX-HOTGVXAUSA-N 1 2 349.456 1.336 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC(N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000599472581 450000975 /nfs/dbraw/zinc/00/09/75/450000975.db2.gz YXJPZUDQPPMTHG-UHFFFAOYSA-N 1 2 330.388 1.763 20 30 EDEDLO N#Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2CO)sc2c1CCCC2 ZINC000618318345 450142729 /nfs/dbraw/zinc/14/27/29/450142729.db2.gz SKEREEJIIGFVKX-GFCCVEGCSA-N 1 2 349.456 1.520 20 30 EDEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2CO)sc2c1CCCC2 ZINC000618318345 450142734 /nfs/dbraw/zinc/14/27/34/450142734.db2.gz SKEREEJIIGFVKX-GFCCVEGCSA-N 1 2 349.456 1.520 20 30 EDEDLO N#C[C@@H]1CC[C@@H]([NH+]2CC(S(=O)(=O)N3CCc4ccccc43)C2)C1 ZINC000595443864 450146866 /nfs/dbraw/zinc/14/68/66/450146866.db2.gz CFIDYMWJHATQGQ-UKRRQHHQSA-N 1 2 331.441 1.755 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000599684305 450151645 /nfs/dbraw/zinc/15/16/45/450151645.db2.gz ZLYCYUIKCBLQFV-MSOLQXFVSA-N 1 2 349.390 1.857 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000599684305 450151648 /nfs/dbraw/zinc/15/16/48/450151648.db2.gz ZLYCYUIKCBLQFV-MSOLQXFVSA-N 1 2 349.390 1.857 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000597620838 450151827 /nfs/dbraw/zinc/15/18/27/450151827.db2.gz CZUKYXACKXLXOF-UHFFFAOYSA-N 1 2 328.376 1.494 20 30 EDEDLO N#Cc1cc(Cl)ccc1Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000603243429 450172690 /nfs/dbraw/zinc/17/26/90/450172690.db2.gz NNCANFPMLIFROT-UHFFFAOYSA-N 1 2 331.807 1.726 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000599726012 450181109 /nfs/dbraw/zinc/18/11/09/450181109.db2.gz ORPCRVZKANONSI-AWEZNQCLSA-N 1 2 332.404 1.798 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000599726012 450181117 /nfs/dbraw/zinc/18/11/17/450181117.db2.gz ORPCRVZKANONSI-AWEZNQCLSA-N 1 2 332.404 1.798 20 30 EDEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)NCc2cccc(C#N)c2)n1 ZINC000595520968 450203191 /nfs/dbraw/zinc/20/31/91/450203191.db2.gz UNQOZBMCJGDYRZ-UHFFFAOYSA-N 1 2 339.399 1.503 20 30 EDEDLO COCc1cc(C#N)ccc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000603271700 450197418 /nfs/dbraw/zinc/19/74/18/450197418.db2.gz HQXOSIWIEVTWQQ-AWEZNQCLSA-N 1 2 342.443 1.494 20 30 EDEDLO Cc1nc(C#N)n(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1C ZINC000603348155 450256842 /nfs/dbraw/zinc/25/68/42/450256842.db2.gz DOUQZRZFEDMCJQ-UHFFFAOYSA-N 1 2 343.456 1.778 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000619039707 450387132 /nfs/dbraw/zinc/38/71/32/450387132.db2.gz SPWPXADZQUUJFJ-KDOFPFPSSA-N 1 2 342.443 1.908 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619944574 450381293 /nfs/dbraw/zinc/38/12/93/450381293.db2.gz UKXDQUIEQRCIOU-FXAWDEMLSA-N 1 2 346.471 1.968 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619944574 450381294 /nfs/dbraw/zinc/38/12/94/450381294.db2.gz UKXDQUIEQRCIOU-FXAWDEMLSA-N 1 2 346.471 1.968 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](c2ccccc2)C2CC2)nn1 ZINC000640932110 451695507 /nfs/dbraw/zinc/69/55/07/451695507.db2.gz FWUWFKIWDBKICQ-LJQANCHMSA-N 1 2 337.427 1.659 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2noc(-c3ccc(F)cc3F)n2)nn1 ZINC000641128244 451756931 /nfs/dbraw/zinc/75/69/31/451756931.db2.gz MSFXDOJHDPUMAN-UHFFFAOYSA-N 1 2 344.325 1.768 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2ccn(CCc3ccccc3)n2)nn1 ZINC000641175839 451769512 /nfs/dbraw/zinc/76/95/12/451769512.db2.gz TUSBNITWONXHJF-UHFFFAOYSA-N 1 2 334.427 1.879 20 30 EDEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000649223711 451915309 /nfs/dbraw/zinc/91/53/09/451915309.db2.gz LLLCKHNNYBVOST-CQSZACIVSA-N 1 2 340.370 1.983 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000645121659 452162710 /nfs/dbraw/zinc/16/27/10/452162710.db2.gz FQJPUAPUJSKZEU-HNNXBMFYSA-N 1 2 328.416 1.808 20 30 EDEDLO COCCCn1c(C)cc(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000646031148 453027889 /nfs/dbraw/zinc/02/78/89/453027889.db2.gz AOQMAGGSWHZUCF-GOSISDBHSA-N 1 2 333.432 1.675 20 30 EDEDLO COCCCn1c(C)cc(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000646031148 453027894 /nfs/dbraw/zinc/02/78/94/453027894.db2.gz AOQMAGGSWHZUCF-GOSISDBHSA-N 1 2 333.432 1.675 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000646237660 453247003 /nfs/dbraw/zinc/24/70/03/453247003.db2.gz YQRXTVRKWAHGKL-MRXNPFEDSA-N 1 2 331.416 1.415 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664807277 453417103 /nfs/dbraw/zinc/41/71/03/453417103.db2.gz UUJSYFGPAPXDRZ-FPCVCCKLSA-N 1 2 325.453 1.376 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664807277 453417108 /nfs/dbraw/zinc/41/71/08/453417108.db2.gz UUJSYFGPAPXDRZ-FPCVCCKLSA-N 1 2 325.453 1.376 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000665182953 453603338 /nfs/dbraw/zinc/60/33/38/453603338.db2.gz SWGHKZUOYLKCKX-IHRRRGAJSA-N 1 2 336.436 1.370 20 30 EDEDLO C=C(C)Cn1c(CC(C)C)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000670208775 486679201 /nfs/dbraw/zinc/67/92/01/486679201.db2.gz QEDDMAMOMPTXKC-UHFFFAOYSA-N 1 2 348.495 1.263 20 30 EDEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000670223282 486698504 /nfs/dbraw/zinc/69/85/04/486698504.db2.gz QMWZNXUBBLIVPK-HNNXBMFYSA-N 1 2 348.495 1.578 20 30 EDEDLO COCC#CC[NH+]1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000677480239 487097834 /nfs/dbraw/zinc/09/78/34/487097834.db2.gz VUSNUAVGYKEEKE-OAHLLOKOSA-N 1 2 333.407 1.420 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000678889896 487376543 /nfs/dbraw/zinc/37/65/43/487376543.db2.gz AZAFSCHATROGQX-AWEZNQCLSA-N 1 2 334.468 1.044 20 30 EDEDLO N#CCCCCS(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000104106861 534601769 /nfs/dbraw/zinc/60/17/69/534601769.db2.gz MQKAPRRRIATUDN-UHFFFAOYSA-N 1 2 343.493 1.635 20 30 EDEDLO C#CCOc1cccc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000108517184 527123656 /nfs/dbraw/zinc/12/36/56/527123656.db2.gz NAWVMMIEXVBLPS-CABCVRRESA-N 1 2 331.416 1.929 20 30 EDEDLO CC1CCN(c2ccc(CNC(=O)N3CCO[C@H](C#N)C3)c[nH+]2)CC1 ZINC000106330880 528264243 /nfs/dbraw/zinc/26/42/43/528264243.db2.gz VEIKKHOYFOPUBW-MRXNPFEDSA-N 1 2 343.431 1.752 20 30 EDEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000133098384 528556912 /nfs/dbraw/zinc/55/69/12/528556912.db2.gz GJEVHOCVIJPPGK-SEJMYLSOSA-N 1 2 326.418 1.491 20 30 EDEDLO C=CC[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)CC(=O)OCC ZINC000743278266 579474927 /nfs/dbraw/zinc/47/49/27/579474927.db2.gz JWRPFVNQUYAGDQ-UHFFFAOYSA-N 1 2 333.388 1.776 20 30 EDEDLO C=CC[N@H+](CCC(=O)NC(=O)Nc1ccccc1)CC(=O)OCC ZINC000743278266 579474928 /nfs/dbraw/zinc/47/49/28/579474928.db2.gz JWRPFVNQUYAGDQ-UHFFFAOYSA-N 1 2 333.388 1.776 20 30 EDEDLO N#Cc1ccc(NCCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000727939849 578541403 /nfs/dbraw/zinc/54/14/03/578541403.db2.gz MUZUXYSQGOZICD-AWEZNQCLSA-N 1 2 339.403 1.677 20 30 EDEDLO COCC(C)N=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000727971247 578541724 /nfs/dbraw/zinc/54/17/24/578541724.db2.gz RSGCPJGJGUQMDV-UHFFFAOYSA-N 1 2 340.449 1.057 20 30 EDEDLO CC(Cc1ccsc1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000729632912 578585954 /nfs/dbraw/zinc/58/59/54/578585954.db2.gz KDDGNGJVRRYOIA-UHFFFAOYSA-N 1 2 326.491 1.463 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000730106387 578614997 /nfs/dbraw/zinc/61/49/97/578614997.db2.gz ZWTFRYJDMMWAOT-KRWDZBQOSA-N 1 2 341.411 1.195 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000730106387 578614999 /nfs/dbraw/zinc/61/49/99/578614999.db2.gz ZWTFRYJDMMWAOT-KRWDZBQOSA-N 1 2 341.411 1.195 20 30 EDEDLO COc1ccc2c(C[NH+]3CCN(CCC#N)CC3)cc(=O)oc2c1 ZINC000760944594 580042116 /nfs/dbraw/zinc/04/21/16/580042116.db2.gz SZYRDXJEGHFNSI-UHFFFAOYSA-N 1 2 327.384 1.833 20 30 EDEDLO Cc1cc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000736300007 578975225 /nfs/dbraw/zinc/97/52/25/578975225.db2.gz ZCWHPPKZUCGEKA-UHFFFAOYSA-N 1 2 330.388 1.652 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000745098115 579538553 /nfs/dbraw/zinc/53/85/53/579538553.db2.gz AHVBKZVVWMYZPC-UKRRQHHQSA-N 1 2 347.415 1.623 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000745098115 579538555 /nfs/dbraw/zinc/53/85/55/579538555.db2.gz AHVBKZVVWMYZPC-UKRRQHHQSA-N 1 2 347.415 1.623 20 30 EDEDLO Cn1ccnc(N=NCc2c[nH+]c3ccc(Br)cn23)c1=O ZINC000748079476 579668709 /nfs/dbraw/zinc/66/87/09/579668709.db2.gz IRTWEXSGAPJLOX-UHFFFAOYSA-N 1 2 347.176 1.637 20 30 EDEDLO C[C@H]1Cc2ccccc2C1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000751131420 579795043 /nfs/dbraw/zinc/79/50/43/579795043.db2.gz PMEXBAIBGNDRNV-ZDUSSCGKSA-N 1 2 332.473 1.379 20 30 EDEDLO COC[C@@H]1CCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000752328465 579845886 /nfs/dbraw/zinc/84/58/86/579845886.db2.gz ZWFOFHGQDVBUHA-JSGCOSHPSA-N 1 2 340.383 1.622 20 30 EDEDLO COC[C@@H]1CCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000752328465 579845887 /nfs/dbraw/zinc/84/58/87/579845887.db2.gz ZWFOFHGQDVBUHA-JSGCOSHPSA-N 1 2 340.383 1.622 20 30 EDEDLO COc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000753831002 579888920 /nfs/dbraw/zinc/88/89/20/579888920.db2.gz VFHMKJLPJDGLFY-UHFFFAOYSA-N 1 2 341.367 1.906 20 30 EDEDLO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)O[C@@H](C)C(=O)N(C)CCC#N ZINC000754505943 579904680 /nfs/dbraw/zinc/90/46/80/579904680.db2.gz PYXSIBYDEJDORN-ZFWWWQNUSA-N 1 2 339.436 1.083 20 30 EDEDLO C#CCOCCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000755486278 579927883 /nfs/dbraw/zinc/92/78/83/579927883.db2.gz HYHMILRGAJBXSH-UHFFFAOYSA-N 1 2 329.400 1.053 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000757574788 579968245 /nfs/dbraw/zinc/96/82/45/579968245.db2.gz GNARYYKFOHUFDV-QWHCGFSZSA-N 1 2 333.392 1.148 20 30 EDEDLO COC(C)(C)C[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000758816872 579992325 /nfs/dbraw/zinc/99/23/25/579992325.db2.gz ZFVVJGBJGSYUIF-ZDUSSCGKSA-N 1 2 342.399 1.868 20 30 EDEDLO COC(C)(C)C[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000758816872 579992326 /nfs/dbraw/zinc/99/23/26/579992326.db2.gz ZFVVJGBJGSYUIF-ZDUSSCGKSA-N 1 2 342.399 1.868 20 30 EDEDLO C#CCCCCCC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000767165902 580182864 /nfs/dbraw/zinc/18/28/64/580182864.db2.gz OCZKCEZQQYIHDP-UHFFFAOYSA-N 1 2 336.476 1.956 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ncc(C#N)cc3Cl)CC2)S1 ZINC000769508598 580238738 /nfs/dbraw/zinc/23/87/38/580238738.db2.gz YSWAJHSUMDRNLG-JTQLQIEISA-N 1 2 349.847 1.856 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772043760 580301590 /nfs/dbraw/zinc/30/15/90/580301590.db2.gz BDHXZVJEJFUTFT-HEHGZKQESA-N 1 2 341.477 1.410 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772043760 580301591 /nfs/dbraw/zinc/30/15/91/580301591.db2.gz BDHXZVJEJFUTFT-HEHGZKQESA-N 1 2 341.477 1.410 20 30 EDEDLO CN(CCO)c1ccc(C=[NH+]Nc2ccccc2S(N)(=O)=O)cc1 ZINC000773125691 580327801 /nfs/dbraw/zinc/32/78/01/580327801.db2.gz NZCZVXLADQJUPV-UHFFFAOYSA-N 1 2 348.428 1.209 20 30 EDEDLO C=CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000776593166 580423230 /nfs/dbraw/zinc/42/32/30/580423230.db2.gz QPFICHOXVGLZCC-LSDHHAIUSA-N 1 2 340.401 1.303 20 30 EDEDLO C=CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000776593166 580423231 /nfs/dbraw/zinc/42/32/31/580423231.db2.gz QPFICHOXVGLZCC-LSDHHAIUSA-N 1 2 340.401 1.303 20 30 EDEDLO CC[C@@H](C)[N@H+](CC(=O)NCCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000776722399 580427195 /nfs/dbraw/zinc/42/71/95/580427195.db2.gz LWASMAQJZBPHTI-CYBMUJFWSA-N 1 2 341.415 1.966 20 30 EDEDLO CC[C@@H](C)[N@@H+](CC(=O)NCCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000776722399 580427196 /nfs/dbraw/zinc/42/71/96/580427196.db2.gz LWASMAQJZBPHTI-CYBMUJFWSA-N 1 2 341.415 1.966 20 30 EDEDLO N#Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2ncccn2)nc1 ZINC000780171854 580515266 /nfs/dbraw/zinc/51/52/66/580515266.db2.gz SRIGMKYFHMGAHZ-UHFFFAOYSA-N 1 2 329.327 1.484 20 30 EDEDLO Cn1nccc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000781154089 580543382 /nfs/dbraw/zinc/54/33/82/580543382.db2.gz GRDCZVAUUSFTMG-UHFFFAOYSA-N 1 2 329.404 1.089 20 30 EDEDLO N#CC1(NC(=O)C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)CCC1 ZINC000784350213 580619086 /nfs/dbraw/zinc/61/90/86/580619086.db2.gz DLWURUWKGYYZLM-UHFFFAOYSA-N 1 2 349.381 1.811 20 30 EDEDLO C#CCn1cc(CNC(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)cn1 ZINC000788220877 580714532 /nfs/dbraw/zinc/71/45/32/580714532.db2.gz KUUUONVOLPCGLP-KRWDZBQOSA-N 1 2 332.448 1.270 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccsc1Cl ZINC000790143676 580763298 /nfs/dbraw/zinc/76/32/98/580763298.db2.gz SNUGEXYEVHXPQM-UHFFFAOYSA-N 1 2 332.882 1.532 20 30 EDEDLO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nnnn1C1CC1 ZINC000790553564 580772866 /nfs/dbraw/zinc/77/28/66/580772866.db2.gz CUYCGRSYGIGSTP-NHYWBVRUSA-N 1 2 337.387 1.336 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)OC)cn2)c1 ZINC000795868520 580939705 /nfs/dbraw/zinc/93/97/05/580939705.db2.gz PNLQPJCFALZIOO-UHFFFAOYSA-N 1 2 337.379 1.920 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(=O)OC)cn2)c1 ZINC000795868520 580939706 /nfs/dbraw/zinc/93/97/06/580939706.db2.gz PNLQPJCFALZIOO-UHFFFAOYSA-N 1 2 337.379 1.920 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000798353744 580995094 /nfs/dbraw/zinc/99/50/94/580995094.db2.gz DCVNOFNTTFKGRZ-JKSUJKDBSA-N 1 2 344.390 1.722 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)COc2cccc(C#N)c2)CC1 ZINC000798635168 581003646 /nfs/dbraw/zinc/00/36/46/581003646.db2.gz HKMPSDLQWHJGHU-UHFFFAOYSA-N 1 2 336.395 1.989 20 30 EDEDLO CC(=[NH+]Nc1ncnc2c1cnn2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799109007 581016964 /nfs/dbraw/zinc/01/69/64/581016964.db2.gz RRLRBKVYRJZFKD-UHFFFAOYSA-N 1 2 326.320 1.690 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1=O ZINC000799143273 581018650 /nfs/dbraw/zinc/01/86/50/581018650.db2.gz HSZJCTHBIREEDD-CQSZACIVSA-N 1 2 329.360 1.621 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1=O ZINC000799143273 581018651 /nfs/dbraw/zinc/01/86/51/581018651.db2.gz HSZJCTHBIREEDD-CQSZACIVSA-N 1 2 329.360 1.621 20 30 EDEDLO CCCCCCCS(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000799770604 581036411 /nfs/dbraw/zinc/03/64/11/581036411.db2.gz DBBMDKLSYRMXAY-UHFFFAOYSA-N 1 2 347.525 1.429 20 30 EDEDLO CON=Cc1ccc(C(=O)O[C@@H]2C[N@H+](C)[C@](C)(C(=O)OC)C2)cc1 ZINC000893565259 590963930 /nfs/dbraw/zinc/96/39/30/590963930.db2.gz DUDBZFNCOVRPAD-YOEHRIQHSA-N 1 2 334.372 1.460 20 30 EDEDLO CON=Cc1ccc(C(=O)O[C@@H]2C[N@@H+](C)[C@](C)(C(=O)OC)C2)cc1 ZINC000893565259 590963932 /nfs/dbraw/zinc/96/39/32/590963932.db2.gz DUDBZFNCOVRPAD-YOEHRIQHSA-N 1 2 334.372 1.460 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+]([C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000891539610 591115941 /nfs/dbraw/zinc/11/59/41/591115941.db2.gz CPJZADJJSRSFHU-CVEARBPZSA-N 1 2 346.406 1.709 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3scnc3c2)C1 ZINC000891605986 591146644 /nfs/dbraw/zinc/14/66/44/591146644.db2.gz JDJZFBWEHIMHDA-CYBMUJFWSA-N 1 2 342.424 1.449 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3scnc3c2)C1 ZINC000891605986 591146647 /nfs/dbraw/zinc/14/66/47/591146647.db2.gz JDJZFBWEHIMHDA-CYBMUJFWSA-N 1 2 342.424 1.449 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCO[C@@](C)(C#N)C1 ZINC000891619951 591152119 /nfs/dbraw/zinc/15/21/19/591152119.db2.gz ZOMMOGUYJBUUSL-KRWDZBQOSA-N 1 2 327.388 1.669 20 30 EDEDLO C[C@]1(C#N)CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCO1 ZINC000891742250 591206101 /nfs/dbraw/zinc/20/61/01/591206101.db2.gz ZMCOCGHVYOMQBM-KRWDZBQOSA-N 1 2 329.404 1.506 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ncc(Br)cc2O)C1=O ZINC000894231663 591238550 /nfs/dbraw/zinc/23/85/50/591238550.db2.gz QQAPJAFAFAPHOI-LBPRGKRZSA-N 1 2 340.221 1.768 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ncc(Br)cc2O)C1=O ZINC000894231663 591238552 /nfs/dbraw/zinc/23/85/52/591238552.db2.gz QQAPJAFAFAPHOI-LBPRGKRZSA-N 1 2 340.221 1.768 20 30 EDEDLO COC(=O)[C@@H]1[C@@H](C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1(F)F ZINC000894468396 591320281 /nfs/dbraw/zinc/32/02/81/591320281.db2.gz UXJVQBLZGDRHSS-OCCSQVGLSA-N 1 2 336.342 1.130 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000898736261 591499937 /nfs/dbraw/zinc/49/99/37/591499937.db2.gz NSWLMLXVHPPNFS-WFASDCNBSA-N 1 2 348.353 1.471 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000896623393 591557116 /nfs/dbraw/zinc/55/71/16/591557116.db2.gz DMPMPBPYYYCPNB-MRXNPFEDSA-N 1 2 335.448 1.410 20 30 EDEDLO N#Cc1cnn2cc(C[N@H+]3CCn4nc(C(F)(F)F)cc4C3)cnc12 ZINC000896938275 591688068 /nfs/dbraw/zinc/68/80/68/591688068.db2.gz NLFUFZBCAZGUBE-UHFFFAOYSA-N 1 2 347.304 1.832 20 30 EDEDLO N#Cc1cnn2cc(C[N@@H+]3CCn4nc(C(F)(F)F)cc4C3)cnc12 ZINC000896938275 591688072 /nfs/dbraw/zinc/68/80/72/591688072.db2.gz NLFUFZBCAZGUBE-UHFFFAOYSA-N 1 2 347.304 1.832 20 30 EDEDLO COc1c[nH]c(CO)c(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)c1=O ZINC000902279246 591961197 /nfs/dbraw/zinc/96/11/97/591961197.db2.gz UXQKMFKVEHIOML-CABCVRRESA-N 1 2 339.395 1.615 20 30 EDEDLO COc1c[nH]c(CO)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)c1=O ZINC000902279246 591961200 /nfs/dbraw/zinc/96/12/00/591961200.db2.gz UXQKMFKVEHIOML-CABCVRRESA-N 1 2 339.395 1.615 20 30 EDEDLO O=C1[C@@H](C2CC2)[C@@H](C2CC2)N1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902609183 592024659 /nfs/dbraw/zinc/02/46/59/592024659.db2.gz NWVOINPJYKYRKB-DLBZAZTESA-N 1 2 330.428 1.929 20 30 EDEDLO C/C(=C\C(=O)NCc1ccc(OCC#N)cc1)C[NH+]1CCOCC1 ZINC000900535174 592049998 /nfs/dbraw/zinc/04/99/98/592049998.db2.gz NIVLBIJGQFFXRC-NTCAYCPXSA-N 1 2 329.400 1.484 20 30 EDEDLO N#C[C@@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CCO1 ZINC000900605875 592067163 /nfs/dbraw/zinc/06/71/63/592067163.db2.gz NSQIQGRBMMZZJV-MRXNPFEDSA-N 1 2 325.372 1.360 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](Nc3ncccn3)C2)CCCCC1 ZINC000903029936 592110221 /nfs/dbraw/zinc/11/02/21/592110221.db2.gz FPRIXVCELXIUMD-AWEZNQCLSA-N 1 2 328.420 1.305 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](Nc3ncccn3)C2)CCCCC1 ZINC000903029936 592110223 /nfs/dbraw/zinc/11/02/23/592110223.db2.gz FPRIXVCELXIUMD-AWEZNQCLSA-N 1 2 328.420 1.305 20 30 EDEDLO COC(=O)Cn1cc(C(=O)/C=C/c2ccc(N(C)C(C)C)[nH+]c2)nn1 ZINC000905085273 592391339 /nfs/dbraw/zinc/39/13/39/592391339.db2.gz RJMYEDLHLPVYOD-FNORWQNLSA-N 1 2 343.387 1.587 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1 ZINC000907027276 592485277 /nfs/dbraw/zinc/48/52/77/592485277.db2.gz SGRLBDOKFHDKHB-YOEHRIQHSA-N 1 2 334.441 1.009 20 30 EDEDLO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N(C)Cc1ccns1 ZINC000908695867 592575136 /nfs/dbraw/zinc/57/51/36/592575136.db2.gz VGWGQCPOLDMFSN-TZMCWYRMSA-N 1 2 348.476 1.949 20 30 EDEDLO C=CCn1c([C@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N(C)Cc1ccns1 ZINC000908695867 592575137 /nfs/dbraw/zinc/57/51/37/592575137.db2.gz VGWGQCPOLDMFSN-TZMCWYRMSA-N 1 2 348.476 1.949 20 30 EDEDLO C=CC[C@H]([NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1)C(=O)OC ZINC000905779227 592636738 /nfs/dbraw/zinc/63/67/38/592636738.db2.gz UZFOJSUMKBGBRR-AWEZNQCLSA-N 1 2 326.437 1.500 20 30 EDEDLO C=CC[C@H](NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)C(=O)OC ZINC000905779227 592636740 /nfs/dbraw/zinc/63/67/40/592636740.db2.gz UZFOJSUMKBGBRR-AWEZNQCLSA-N 1 2 326.437 1.500 20 30 EDEDLO C=CC[C@@H]([NH2+][C@@H]1CCN(c2cc(OC)cc(OC)c2)C1)C(=O)OC ZINC000905762814 592639469 /nfs/dbraw/zinc/63/94/69/592639469.db2.gz UTSHTFVKUZBMFS-CXAGYDPISA-N 1 2 334.416 1.990 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cccc(C#CCO)c2)C1 ZINC000907571516 592716050 /nfs/dbraw/zinc/71/60/50/592716050.db2.gz QEUDARBVGJWVCO-LJQANCHMSA-N 1 2 342.439 1.213 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2cccc(C#CCO)c2)C1 ZINC000907571516 592716051 /nfs/dbraw/zinc/71/60/51/592716051.db2.gz QEUDARBVGJWVCO-LJQANCHMSA-N 1 2 342.439 1.213 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C3CCOCC3)n2CC2CC2)CC1 ZINC000910363202 592844409 /nfs/dbraw/zinc/84/44/09/592844409.db2.gz KLUBPOMFSCBSNL-UHFFFAOYSA-N 1 2 329.448 1.337 20 30 EDEDLO C/C(=C\C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000911872858 593028738 /nfs/dbraw/zinc/02/87/38/593028738.db2.gz YOKABZAMEQMWJA-SPQRHKFCSA-N 1 2 343.427 1.329 20 30 EDEDLO COC[C@H]1CC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000840083573 593143279 /nfs/dbraw/zinc/14/32/79/593143279.db2.gz NKNAWUXGBSMXLS-RHSMWYFYSA-N 1 2 328.372 1.003 20 30 EDEDLO COC[C@H]1CC[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000840083573 593143280 /nfs/dbraw/zinc/14/32/80/593143280.db2.gz NKNAWUXGBSMXLS-RHSMWYFYSA-N 1 2 328.372 1.003 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000805807630 593145735 /nfs/dbraw/zinc/14/57/35/593145735.db2.gz LIVDGEFMURAYFX-IRXDYDNUSA-N 1 2 341.411 1.717 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000805807630 593145737 /nfs/dbraw/zinc/14/57/37/593145737.db2.gz LIVDGEFMURAYFX-IRXDYDNUSA-N 1 2 341.411 1.717 20 30 EDEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000807280718 593159381 /nfs/dbraw/zinc/15/93/81/593159381.db2.gz JYUPRZZCCNTJSB-HNNXBMFYSA-N 1 2 338.367 1.410 20 30 EDEDLO C=CCCCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803350477 593321818 /nfs/dbraw/zinc/32/18/18/593321818.db2.gz MPOWPCBQVNXLDH-UHFFFAOYSA-N 1 2 326.400 1.961 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1nc(N)nc(Nc2ccccc2C)n1)[C@H]1CCCO1 ZINC000839564371 593338798 /nfs/dbraw/zinc/33/87/98/593338798.db2.gz QRYLTVXEFZKBTQ-UKRRQHHQSA-N 1 2 338.415 1.776 20 30 EDEDLO COc1cc(C)[nH+]c(COC(=O)CNC(=O)c2ccc(C#N)cc2)c1 ZINC000757703833 593385127 /nfs/dbraw/zinc/38/51/27/593385127.db2.gz OVKYYAXWBSYEHE-UHFFFAOYSA-N 1 2 339.351 1.744 20 30 EDEDLO CCOCCCNC(=O)[C@H](C#N)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810528283 593409995 /nfs/dbraw/zinc/40/99/95/593409995.db2.gz SIUVSLLSYMWLFA-DYVFJYSZSA-N 1 2 341.427 1.451 20 30 EDEDLO CCOCCCNC(=O)[C@H](C#N)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810528283 593409997 /nfs/dbraw/zinc/40/99/97/593409997.db2.gz SIUVSLLSYMWLFA-DYVFJYSZSA-N 1 2 341.427 1.451 20 30 EDEDLO Cc1cc2c(cc1C)C(=NNC(=S)NCC[NH+]1CCOCC1)CO2 ZINC000814717083 593601054 /nfs/dbraw/zinc/60/10/54/593601054.db2.gz OFDAFDVRKPJURQ-UHFFFAOYSA-N 1 2 348.472 1.196 20 30 EDEDLO COCc1nc(Cl)cc(N=NCc2c(Cl)[nH+]c(N)n2C)n1 ZINC000814977822 593608488 /nfs/dbraw/zinc/60/84/88/593608488.db2.gz DGPGAYHNCOAOTD-UHFFFAOYSA-N 1 2 330.179 1.692 20 30 EDEDLO C=C1CC[NH+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823883234 593879264 /nfs/dbraw/zinc/87/92/64/593879264.db2.gz LRZWAJCXUBJUOC-UHFFFAOYSA-N 1 2 333.417 1.292 20 30 EDEDLO C=CCCNC(=O)N(C)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000820771987 593886923 /nfs/dbraw/zinc/88/69/23/593886923.db2.gz XQHDEYYGGIRTIH-UHFFFAOYSA-N 1 2 340.468 1.757 20 30 EDEDLO C#C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)C1CCOCC1 ZINC000823158616 594162172 /nfs/dbraw/zinc/16/21/72/594162172.db2.gz JAXGWASMWCIMFA-CABCVRRESA-N 1 2 348.447 1.207 20 30 EDEDLO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825399198 594178570 /nfs/dbraw/zinc/17/85/70/594178570.db2.gz MCNRWMPZYSOFHA-SWLSCSKDSA-N 1 2 339.403 1.454 20 30 EDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825399198 594178572 /nfs/dbraw/zinc/17/85/72/594178572.db2.gz MCNRWMPZYSOFHA-SWLSCSKDSA-N 1 2 339.403 1.454 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000829983462 594307022 /nfs/dbraw/zinc/30/70/22/594307022.db2.gz VKPQLQABHDAXBY-HNAYVOBHSA-N 1 2 342.443 1.964 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000829983462 594307025 /nfs/dbraw/zinc/30/70/25/594307025.db2.gz VKPQLQABHDAXBY-HNAYVOBHSA-N 1 2 342.443 1.964 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC000826384789 594454099 /nfs/dbraw/zinc/45/40/99/594454099.db2.gz JYUVRLXPXAKODV-INIZCTEOSA-N 1 2 336.355 1.905 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)o1 ZINC000826384789 594454102 /nfs/dbraw/zinc/45/41/02/594454102.db2.gz JYUVRLXPXAKODV-INIZCTEOSA-N 1 2 336.355 1.905 20 30 EDEDLO N#Cc1ncn(Cc2[nH+]ccn2Cc2ccccc2)c1-c1nn[nH]n1 ZINC000826388228 594455291 /nfs/dbraw/zinc/45/52/91/594455291.db2.gz NUSFGZXFFRBKEU-UHFFFAOYSA-N 1 2 331.343 1.228 20 30 EDEDLO NC(=[NH+]OCc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CCO2 ZINC000826388343 594455594 /nfs/dbraw/zinc/45/55/94/594455594.db2.gz SQGMXUJHQIYCCY-UHFFFAOYSA-N 1 2 336.355 1.639 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000828597168 594460174 /nfs/dbraw/zinc/46/01/74/594460174.db2.gz PYTUZLFMLMHJQF-OAHLLOKOSA-N 1 2 349.431 1.919 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826557732 594525420 /nfs/dbraw/zinc/52/54/20/594525420.db2.gz OXCVNYFFLWWOIM-HKUYNNGSSA-N 1 2 332.444 1.639 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826557732 594525422 /nfs/dbraw/zinc/52/54/22/594525422.db2.gz OXCVNYFFLWWOIM-HKUYNNGSSA-N 1 2 332.444 1.639 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826590629 594534211 /nfs/dbraw/zinc/53/42/11/594534211.db2.gz SWUCSLGRKVFWBU-OTWHNJEPSA-N 1 2 344.455 1.903 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826590629 594534213 /nfs/dbraw/zinc/53/42/13/594534213.db2.gz SWUCSLGRKVFWBU-OTWHNJEPSA-N 1 2 344.455 1.903 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831447448 594632510 /nfs/dbraw/zinc/63/25/10/594632510.db2.gz MPVSNFMFFJJTLX-OAHLLOKOSA-N 1 2 332.423 1.932 20 30 EDEDLO C#C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000827240820 594655598 /nfs/dbraw/zinc/65/55/98/594655598.db2.gz OMYJDHAVNUAWTE-SZMVWBNQSA-N 1 2 327.428 1.866 20 30 EDEDLO C#Cc1cnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)nc1 ZINC000827309980 594660124 /nfs/dbraw/zinc/66/01/24/594660124.db2.gz JMEMNXIOSOPGDV-UHFFFAOYSA-N 1 2 326.375 1.928 20 30 EDEDLO C[NH+]1CCN(C2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)CC1 ZINC000827435788 594671644 /nfs/dbraw/zinc/67/16/44/594671644.db2.gz WUFZNXHKRCSOJW-IBGZPJMESA-N 1 2 330.476 1.699 20 30 EDEDLO C#Cc1cccc(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000837105281 595036938 /nfs/dbraw/zinc/03/69/38/595036938.db2.gz LCKKECZPWQGNAD-UHFFFAOYSA-N 1 2 334.423 1.501 20 30 EDEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)NC1CCOCC1 ZINC000106067097 595081542 /nfs/dbraw/zinc/08/15/42/595081542.db2.gz HCWBXNSGEGXGHD-UHFFFAOYSA-N 1 2 325.796 1.467 20 30 EDEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4cccc(O)c4)CC3)cnc12 ZINC000843391294 595098596 /nfs/dbraw/zinc/09/85/96/595098596.db2.gz UVUGHEAWJCJVOR-UHFFFAOYSA-N 1 2 334.383 1.629 20 30 EDEDLO C#CCOc1ccc(C[NH+]2CCN(CCOCCOC)CC2)cc1 ZINC000846118228 595147606 /nfs/dbraw/zinc/14/76/06/595147606.db2.gz VOUWSPWHVXSZBW-UHFFFAOYSA-N 1 2 332.444 1.479 20 30 EDEDLO C[C@@H](CO)C1CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000844417652 595340527 /nfs/dbraw/zinc/34/05/27/595340527.db2.gz VSTAXZQCUQSAKH-AWEZNQCLSA-N 1 2 340.427 1.760 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)C1 ZINC000847022062 595352531 /nfs/dbraw/zinc/35/25/31/595352531.db2.gz FEQLZAZTKPCDGS-CYBMUJFWSA-N 1 2 343.431 1.481 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](Cc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)C1 ZINC000847022062 595352534 /nfs/dbraw/zinc/35/25/34/595352534.db2.gz FEQLZAZTKPCDGS-CYBMUJFWSA-N 1 2 343.431 1.481 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000844527996 595355411 /nfs/dbraw/zinc/35/54/11/595355411.db2.gz SSBIGICTUPAOQC-PXAZEXFGSA-N 1 2 338.452 1.592 20 30 EDEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000848418823 595376041 /nfs/dbraw/zinc/37/60/41/595376041.db2.gz VCTVSMLREPCBIM-UHFFFAOYSA-N 1 2 338.408 1.830 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](Cn2nc(N3CCOCC3)n(CC)c2=S)C1 ZINC000848493290 595395702 /nfs/dbraw/zinc/39/57/02/595395702.db2.gz LVHHVSCKOLUREV-AWEZNQCLSA-N 1 2 335.477 1.573 20 30 EDEDLO C#C[C@H]1CCC[N@H+](Cn2nc(N3CCOCC3)n(CC)c2=S)C1 ZINC000848493290 595395705 /nfs/dbraw/zinc/39/57/05/595395705.db2.gz LVHHVSCKOLUREV-AWEZNQCLSA-N 1 2 335.477 1.573 20 30 EDEDLO C/C(=C\c1ccncc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000847411278 595414184 /nfs/dbraw/zinc/41/41/84/595414184.db2.gz FWBBWTQFIGSCBU-FOCLMDBBSA-N 1 2 328.416 1.559 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)nc1N ZINC000848665497 595424733 /nfs/dbraw/zinc/42/47/33/595424733.db2.gz AYMMJWPFTKOAIA-UHFFFAOYSA-N 1 2 328.807 1.906 20 30 EDEDLO C[N@@H+]1CCN(C(=O)CCCCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000847558998 595447431 /nfs/dbraw/zinc/44/74/31/595447431.db2.gz CXBPGOHHRMETAS-AWEZNQCLSA-N 1 2 338.452 1.738 20 30 EDEDLO C[N@H+]1CCN(C(=O)CCCCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000847558998 595447433 /nfs/dbraw/zinc/44/74/33/595447433.db2.gz CXBPGOHHRMETAS-AWEZNQCLSA-N 1 2 338.452 1.738 20 30 EDEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000845226464 595464607 /nfs/dbraw/zinc/46/46/07/595464607.db2.gz REAYFNOLPXAGBH-LSDHHAIUSA-N 1 2 325.372 1.575 20 30 EDEDLO C[C@@H](CC(=O)OCC(=O)NCc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000845281531 595474299 /nfs/dbraw/zinc/47/42/99/595474299.db2.gz KWBCIFQAORNKRN-ZDUSSCGKSA-N 1 2 326.356 1.565 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)CCC)cc2)CC1 ZINC000112920458 595569343 /nfs/dbraw/zinc/56/93/43/595569343.db2.gz XLXMMADZNRVZJF-UHFFFAOYSA-N 1 2 349.456 1.229 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@H]2CC2(Cl)Cl)c1=O ZINC000849897930 595689198 /nfs/dbraw/zinc/68/91/98/595689198.db2.gz CZVHCKVOCWTVSB-CYBMUJFWSA-N 1 2 342.226 1.746 20 30 EDEDLO C=CCCn1cc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)nn1 ZINC000850066943 595732292 /nfs/dbraw/zinc/73/22/92/595732292.db2.gz VKFYPXLKHQXBAX-UHFFFAOYSA-N 1 2 349.460 1.063 20 30 EDEDLO C=CCCn1cc(C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)nn1 ZINC000850327650 595809056 /nfs/dbraw/zinc/80/90/56/595809056.db2.gz NYLWUXFFGTUXKN-UHFFFAOYSA-N 1 2 341.415 1.965 20 30 EDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116268091 595863716 /nfs/dbraw/zinc/86/37/16/595863716.db2.gz NHLCTCTWLJZOMM-UHFFFAOYSA-N 1 2 328.756 1.952 20 30 EDEDLO C=CC[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccncc1 ZINC000853747780 595870319 /nfs/dbraw/zinc/87/03/19/595870319.db2.gz YLOGDZAYZNFZSQ-DLBZAZTESA-N 1 2 330.432 1.815 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCc2nnn(C(C)(C)C)n2)c1 ZINC000851729766 595899831 /nfs/dbraw/zinc/89/98/31/595899831.db2.gz HBBHHQWRIPOGQR-UHFFFAOYSA-N 1 2 340.431 1.522 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCc2nnn(C(C)(C)C)n2)c1 ZINC000851729766 595899832 /nfs/dbraw/zinc/89/98/32/595899832.db2.gz HBBHHQWRIPOGQR-UHFFFAOYSA-N 1 2 340.431 1.522 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000851731324 595900405 /nfs/dbraw/zinc/90/04/05/595900405.db2.gz ZCVHJLYHMXVPBU-IYBDPMFKSA-N 1 2 329.444 1.647 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000851731324 595900406 /nfs/dbraw/zinc/90/04/06/595900406.db2.gz ZCVHJLYHMXVPBU-IYBDPMFKSA-N 1 2 329.444 1.647 20 30 EDEDLO CC(C)(C)n1nnc(CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)n1 ZINC000851881228 595961808 /nfs/dbraw/zinc/96/18/08/595961808.db2.gz IFSCHUCCDNFYSQ-INIZCTEOSA-N 1 2 340.431 1.916 20 30 EDEDLO CC(C)(C)n1nnc(CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)n1 ZINC000851881228 595961810 /nfs/dbraw/zinc/96/18/10/595961810.db2.gz IFSCHUCCDNFYSQ-INIZCTEOSA-N 1 2 340.431 1.916 20 30 EDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000852132401 596056417 /nfs/dbraw/zinc/05/64/17/596056417.db2.gz SVDMFJSRNQRJRS-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2nc(C(F)(F)F)n3c2CCCC3)CC1 ZINC000859356937 596062756 /nfs/dbraw/zinc/06/27/56/596062756.db2.gz GFHZSBUFLFWPOQ-UHFFFAOYSA-N 1 2 340.349 1.629 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](N4CCOC4=O)C3)o2)cc1 ZINC000852434555 596160464 /nfs/dbraw/zinc/16/04/64/596160464.db2.gz ZKFJSUISXZGRFP-CQSZACIVSA-N 1 2 339.355 1.635 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](N4CCOC4=O)C3)o2)cc1 ZINC000852434555 596160466 /nfs/dbraw/zinc/16/04/66/596160466.db2.gz ZKFJSUISXZGRFP-CQSZACIVSA-N 1 2 339.355 1.635 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000852493623 596181082 /nfs/dbraw/zinc/18/10/82/596181082.db2.gz ATKUPPDDRUUNFF-UXLLHSPISA-N 1 2 327.384 1.373 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000852493623 596181084 /nfs/dbraw/zinc/18/10/84/596181084.db2.gz ATKUPPDDRUUNFF-UXLLHSPISA-N 1 2 327.384 1.373 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3n2)CC1 ZINC000866598584 596265082 /nfs/dbraw/zinc/26/50/82/596265082.db2.gz IWVYGZIFCGJGJC-UHFFFAOYSA-N 1 2 329.425 1.564 20 30 EDEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4ccc(C#N)nc4)CC3)n2c1 ZINC000862422034 596325986 /nfs/dbraw/zinc/32/59/86/596325986.db2.gz OTHUFQXERFKSEB-UHFFFAOYSA-N 1 2 343.394 1.795 20 30 EDEDLO COC(=O)[C@H](C[C@H]1CCCOC1)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000862516084 596339699 /nfs/dbraw/zinc/33/96/99/596339699.db2.gz KBBWJZMJCSDHIO-CJNGLKHVSA-N 1 2 342.399 1.654 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@]3(C#N)CCCOC3)c[nH+]2)CCO1 ZINC000864884239 596403859 /nfs/dbraw/zinc/40/38/59/596403859.db2.gz LAOULNPCGBZSDO-RDTXWAMCSA-N 1 2 344.415 1.243 20 30 EDEDLO C=CCc1cc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc(OC)c1OC ZINC000862973142 596471663 /nfs/dbraw/zinc/47/16/63/596471663.db2.gz KEBYGCCLKBVYKS-OAHLLOKOSA-N 1 2 334.416 1.493 20 30 EDEDLO C=CCc1cc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc(OC)c1OC ZINC000862973142 596471666 /nfs/dbraw/zinc/47/16/66/596471666.db2.gz KEBYGCCLKBVYKS-OAHLLOKOSA-N 1 2 334.416 1.493 20 30 EDEDLO C=CCCS(=O)(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000867769288 596540093 /nfs/dbraw/zinc/54/00/93/596540093.db2.gz ODSCVAUZUPHDMV-UHFFFAOYSA-N 1 2 332.466 1.288 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)n1 ZINC000867929656 596620104 /nfs/dbraw/zinc/62/01/04/596620104.db2.gz HLFVRIYZRGNLBB-CQSZACIVSA-N 1 2 338.402 1.842 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)n1 ZINC000867929656 596620106 /nfs/dbraw/zinc/62/01/06/596620106.db2.gz HLFVRIYZRGNLBB-CQSZACIVSA-N 1 2 338.402 1.842 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000863788223 596685491 /nfs/dbraw/zinc/68/54/91/596685491.db2.gz KXGZWHUUHQQVKV-SFHVURJKSA-N 1 2 330.428 1.677 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(OC)ccc2C2CC2)CC1 ZINC000871865796 596722299 /nfs/dbraw/zinc/72/22/99/596722299.db2.gz SJICMFUBEVQBIL-UHFFFAOYSA-N 1 2 327.428 1.762 20 30 EDEDLO CO[C@H]1C[C@@H]2CN(c3nc(C)cc(C#N)n3)Cc3ccc[nH+]c3N2C1 ZINC000866057182 596774631 /nfs/dbraw/zinc/77/46/31/596774631.db2.gz FTCUDQUUIKZRGA-CVEARBPZSA-N 1 2 336.399 1.666 20 30 EDEDLO Cc1cc(NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)c(C#N)cn1 ZINC000866169726 596815353 /nfs/dbraw/zinc/81/53/53/596815353.db2.gz OVIBUFUMQYBVFF-UHFFFAOYSA-N 1 2 330.432 1.902 20 30 EDEDLO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cccc(C#N)c1O ZINC000866373039 596868782 /nfs/dbraw/zinc/86/87/82/596868782.db2.gz UXAZWAVZEXHPTA-HNNXBMFYSA-N 1 2 345.443 1.796 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317584 596879300 /nfs/dbraw/zinc/87/93/00/596879300.db2.gz XPTRCUORHPGUFS-KSSFIOAISA-N 1 2 329.448 1.776 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317584 596879301 /nfs/dbraw/zinc/87/93/01/596879301.db2.gz XPTRCUORHPGUFS-KSSFIOAISA-N 1 2 329.448 1.776 20 30 EDEDLO FC(F)(F)CNN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872367517 596895616 /nfs/dbraw/zinc/89/56/16/596895616.db2.gz XKMREZGRXYLOPR-UHFFFAOYSA-N 1 2 331.338 1.883 20 30 EDEDLO CC1(C)OCC[C@@H]1NN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872379692 596896672 /nfs/dbraw/zinc/89/66/72/596896672.db2.gz ICCOQQHVFMIXSX-SFHVURJKSA-N 1 2 347.459 1.889 20 30 EDEDLO C#C[C@H](NC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1)C(C)C ZINC000875593157 596908488 /nfs/dbraw/zinc/90/84/88/596908488.db2.gz AWDKDBFNBWVLGZ-XHSDSOJGSA-N 1 2 328.416 1.204 20 30 EDEDLO CC1(C)C(=O)N(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1(C)C ZINC000872793095 597072251 /nfs/dbraw/zinc/07/22/51/597072251.db2.gz KLHSCNQCJPDUMH-UHFFFAOYSA-N 1 2 327.432 1.680 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)N2CCc3c(CC#N)cccc3C2)CCO1 ZINC000875195788 597324949 /nfs/dbraw/zinc/32/49/49/597324949.db2.gz VDXBXRULZVKBFI-OAHLLOKOSA-N 1 2 342.443 1.541 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCc3c(CC#N)cccc3C2)CCO1 ZINC000875195788 597324953 /nfs/dbraw/zinc/32/49/53/597324953.db2.gz VDXBXRULZVKBFI-OAHLLOKOSA-N 1 2 342.443 1.541 20 30 EDEDLO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CC12COC2 ZINC000877557035 597534962 /nfs/dbraw/zinc/53/49/62/597534962.db2.gz DQHJGIQKVFQVLN-CYBMUJFWSA-N 1 2 335.791 1.618 20 30 EDEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CC12COC2 ZINC000877557035 597534963 /nfs/dbraw/zinc/53/49/63/597534963.db2.gz DQHJGIQKVFQVLN-CYBMUJFWSA-N 1 2 335.791 1.618 20 30 EDEDLO COCCc1ncc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)s1 ZINC000877645842 597544378 /nfs/dbraw/zinc/54/43/78/597544378.db2.gz XWBIKTPWORTNNX-UHFFFAOYSA-N 1 2 343.456 1.921 20 30 EDEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 ZINC000878519881 597621182 /nfs/dbraw/zinc/62/11/82/597621182.db2.gz WVXLMEXCXGWJRE-LBPRGKRZSA-N 1 2 336.392 1.279 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCN(CC(F)F)CC1 ZINC000131105412 597668111 /nfs/dbraw/zinc/66/81/11/597668111.db2.gz AQNQGRQVBODLAK-UHFFFAOYSA-N 1 2 346.385 1.965 20 30 EDEDLO COC[C@@]1(C(=O)OC)CCCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000879028698 597791231 /nfs/dbraw/zinc/79/12/31/597791231.db2.gz LCAGXLKHPWFAEX-SJLPKXTDSA-N 1 2 332.400 1.636 20 30 EDEDLO COC[C@@]1(C(=O)OC)CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000879028698 597791232 /nfs/dbraw/zinc/79/12/32/597791232.db2.gz LCAGXLKHPWFAEX-SJLPKXTDSA-N 1 2 332.400 1.636 20 30 EDEDLO CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000879336928 597891432 /nfs/dbraw/zinc/89/14/32/597891432.db2.gz ZTWXTWWVLGUIDX-AWEZNQCLSA-N 1 2 344.415 1.628 20 30 EDEDLO CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000879336928 597891433 /nfs/dbraw/zinc/89/14/33/597891433.db2.gz ZTWXTWWVLGUIDX-AWEZNQCLSA-N 1 2 344.415 1.628 20 30 EDEDLO CCOC(=O)c1sc([C@H]2CC[N@H+](CC(=O)NCC#N)C2)nc1C ZINC000880322888 597901242 /nfs/dbraw/zinc/90/12/42/597901242.db2.gz PHUZFFKZIDUOIG-NSHDSACASA-N 1 2 336.417 1.057 20 30 EDEDLO CCOC(=O)c1sc([C@H]2CC[N@@H+](CC(=O)NCC#N)C2)nc1C ZINC000880322888 597901244 /nfs/dbraw/zinc/90/12/44/597901244.db2.gz PHUZFFKZIDUOIG-NSHDSACASA-N 1 2 336.417 1.057 20 30 EDEDLO C#CCN1CCC[C@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000884049079 597978252 /nfs/dbraw/zinc/97/82/52/597978252.db2.gz FMOPQLKOBHBMID-JKSUJKDBSA-N 1 2 334.489 1.748 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cc(OC)cc(OC)c1 ZINC000884087643 597990806 /nfs/dbraw/zinc/99/08/06/597990806.db2.gz JYOLSNHMEFSRLF-HNNXBMFYSA-N 1 2 336.388 1.109 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000884110243 597997561 /nfs/dbraw/zinc/99/75/61/597997561.db2.gz DBNCBVROLIUETI-ZMSDIMECSA-N 1 2 332.400 1.470 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882837900 598074966 /nfs/dbraw/zinc/07/49/66/598074966.db2.gz TVKFEFAIUSNFNV-INIZCTEOSA-N 1 2 347.444 1.694 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1ccnc2ccccc12 ZINC000884401071 598093880 /nfs/dbraw/zinc/09/38/80/598093880.db2.gz DGMHNBKNEKBFFX-HNNXBMFYSA-N 1 2 327.384 1.340 20 30 EDEDLO C=CCC1(O)CC[NH+](CN2Cc3ccc(C(=O)OC)cc3C2=O)CC1 ZINC000884480012 598117016 /nfs/dbraw/zinc/11/70/16/598117016.db2.gz ZVDFKMWTYBEEHZ-UHFFFAOYSA-N 1 2 344.411 1.790 20 30 EDEDLO C#CCOc1ccc(C(=O)NC2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)cc1 ZINC001031066906 695449628 /nfs/dbraw/zinc/44/96/28/695449628.db2.gz OKFMKRPJPGHDIG-SFHVURJKSA-N 1 2 342.439 1.928 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](NC(=O)C3CC3)[C@H]2C)c1 ZINC000992952810 695474341 /nfs/dbraw/zinc/47/43/41/695474341.db2.gz DFUPMJAGCYLNEG-KDOFPFPSSA-N 1 2 339.439 1.986 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](NC(=O)C3CC3)[C@H]2C)c1 ZINC000992952810 695474343 /nfs/dbraw/zinc/47/43/43/695474343.db2.gz DFUPMJAGCYLNEG-KDOFPFPSSA-N 1 2 339.439 1.986 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000993153830 695685558 /nfs/dbraw/zinc/68/55/58/695685558.db2.gz CZOWOGGFTGRKBH-JCGVRSQUSA-N 1 2 343.431 1.154 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@@H+]1Cc1ccn(C)n1 ZINC000993173765 695728295 /nfs/dbraw/zinc/72/82/95/695728295.db2.gz VJSRKOAKWIFQBW-DOMZBBRYSA-N 1 2 326.404 1.403 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCC[N@H+]1Cc1ccn(C)n1 ZINC000993173765 695728297 /nfs/dbraw/zinc/72/82/97/695728297.db2.gz VJSRKOAKWIFQBW-DOMZBBRYSA-N 1 2 326.404 1.403 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(C)=O)C2)cc1 ZINC000993625987 696290180 /nfs/dbraw/zinc/29/01/80/696290180.db2.gz YAMKHZSIROBSTE-IAGOWNOFSA-N 1 2 336.395 1.146 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cncs3)[C@@H]2C)nn1 ZINC000993942047 696471504 /nfs/dbraw/zinc/47/15/04/696471504.db2.gz BSSLDIMXODOLGY-OCCSQVGLSA-N 1 2 346.460 1.704 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cncs3)[C@@H]2C)nn1 ZINC000993942047 696471506 /nfs/dbraw/zinc/47/15/06/696471506.db2.gz BSSLDIMXODOLGY-OCCSQVGLSA-N 1 2 346.460 1.704 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cnon2)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000994043251 696504535 /nfs/dbraw/zinc/50/45/35/696504535.db2.gz PWIQEZCNVOWKQT-ABAIWWIYSA-N 1 2 343.362 1.863 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cnon2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000994043251 696504536 /nfs/dbraw/zinc/50/45/36/696504536.db2.gz PWIQEZCNVOWKQT-ABAIWWIYSA-N 1 2 343.362 1.863 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H]1C ZINC000994271901 696695226 /nfs/dbraw/zinc/69/52/26/696695226.db2.gz WTVYIWDYLPKYME-QWHCGFSZSA-N 1 2 337.855 1.878 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H]1C ZINC000994271901 696695227 /nfs/dbraw/zinc/69/52/27/696695227.db2.gz WTVYIWDYLPKYME-QWHCGFSZSA-N 1 2 337.855 1.878 20 30 EDEDLO S=C(NC[C@@H]1CCCO1)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917026964 696880721 /nfs/dbraw/zinc/88/07/21/696880721.db2.gz XQOVMDHVMWQLRG-HNNXBMFYSA-N 1 2 329.429 1.849 20 30 EDEDLO C=CCOCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001060692313 696971592 /nfs/dbraw/zinc/97/15/92/696971592.db2.gz LWPLBXWJLHYFAJ-SHTZXODSSA-N 1 2 348.447 1.254 20 30 EDEDLO CCNC(=O)C[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000917401963 697012573 /nfs/dbraw/zinc/01/25/73/697012573.db2.gz NDDCRQQIWKIOEJ-CYBMUJFWSA-N 1 2 337.383 1.292 20 30 EDEDLO CCNC(=O)C[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000917401963 697012576 /nfs/dbraw/zinc/01/25/76/697012576.db2.gz NDDCRQQIWKIOEJ-CYBMUJFWSA-N 1 2 337.383 1.292 20 30 EDEDLO COC(=O)Cc1ccccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154848116 697220725 /nfs/dbraw/zinc/22/07/25/697220725.db2.gz ITPHOQHWEUNPSP-UHFFFAOYSA-N 1 2 345.443 1.450 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)ncn1 ZINC001031620044 697338772 /nfs/dbraw/zinc/33/87/72/697338772.db2.gz VXRHGYZDFITQJX-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO Cn1cc(C[NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)c(C(F)F)n1 ZINC001031621401 697339631 /nfs/dbraw/zinc/33/96/31/697339631.db2.gz ZWUYCDGAHFBDDB-UHFFFAOYSA-N 1 2 348.357 1.419 20 30 EDEDLO COc1ccnc(C[NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)c1 ZINC001031622451 697342639 /nfs/dbraw/zinc/34/26/39/697342639.db2.gz JTQHYKDQHWXUMG-UHFFFAOYSA-N 1 2 325.372 1.152 20 30 EDEDLO C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031636887 697384281 /nfs/dbraw/zinc/38/42/81/697384281.db2.gz CXCKDSWDYJSBML-KBXCAEBGSA-N 1 2 327.428 1.921 20 30 EDEDLO CC(C)(Cc1ccc(C#N)cc1)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000921447809 697617374 /nfs/dbraw/zinc/61/73/74/697617374.db2.gz UCPWFNPDLOXOPD-UHFFFAOYSA-N 1 2 332.429 1.695 20 30 EDEDLO C[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032078440 698214995 /nfs/dbraw/zinc/21/49/95/698214995.db2.gz LWETXFNQFGZGQD-LRDDRELGSA-N 1 2 331.391 1.670 20 30 EDEDLO C[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001032078446 698215557 /nfs/dbraw/zinc/21/55/57/698215557.db2.gz MCAJLXNVQHHJOL-KSSFIOAISA-N 1 2 330.403 1.650 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@H](C)C1 ZINC000943750413 698797441 /nfs/dbraw/zinc/79/74/41/698797441.db2.gz OCEIDUJUXQMGLQ-ZYHUDNBSSA-N 1 2 339.237 1.825 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cccnn2)[C@H](C)C1 ZINC000943750413 698797443 /nfs/dbraw/zinc/79/74/43/698797443.db2.gz OCEIDUJUXQMGLQ-ZYHUDNBSSA-N 1 2 339.237 1.825 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@]34CCOC4)C2)cc1F ZINC001032116191 698979259 /nfs/dbraw/zinc/97/92/59/698979259.db2.gz QBDCQYGEHLGWPH-VQIMIIECSA-N 1 2 343.402 1.672 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccc2nc[nH]c2n1 ZINC001031764365 699042484 /nfs/dbraw/zinc/04/24/84/699042484.db2.gz ZPGVMMFVVJINOX-UHFFFAOYSA-N 1 2 345.406 1.671 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)C1 ZINC000941509374 701563954 /nfs/dbraw/zinc/56/39/54/701563954.db2.gz GWBUZXZRLIBUOU-UHFFFAOYSA-N 1 2 340.383 1.010 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000941529496 701572047 /nfs/dbraw/zinc/57/20/47/701572047.db2.gz NRDRSGFPFVWLSF-CYBMUJFWSA-N 1 2 326.400 1.877 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)OC3CCCCCC3)CC2)C1 ZINC000941559778 701583007 /nfs/dbraw/zinc/58/30/07/701583007.db2.gz LHARTANTKSRVFY-QGZVFWFLSA-N 1 2 347.503 1.576 20 30 EDEDLO CCc1n[nH]cc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031806085 699419111 /nfs/dbraw/zinc/41/91/11/699419111.db2.gz MHQLEJAFFYZPED-UHFFFAOYSA-N 1 2 340.402 1.825 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCOc4ccccc43)CC2)C1 ZINC000941604294 701593730 /nfs/dbraw/zinc/59/37/30/701593730.db2.gz UWVALJOSBPIGFX-GOSISDBHSA-N 1 2 339.439 1.014 20 30 EDEDLO CCOc1nc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)co1 ZINC001031814731 699507449 /nfs/dbraw/zinc/50/74/49/699507449.db2.gz SNDNJGQFISAFPY-UHFFFAOYSA-N 1 2 339.395 1.787 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)c[nH+]1 ZINC000939409005 699563443 /nfs/dbraw/zinc/56/34/43/699563443.db2.gz DCJZADSFSZUPPG-JSGCOSHPSA-N 1 2 331.420 1.146 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3ccc(F)cc3F)CC2)C1 ZINC000941627392 701599314 /nfs/dbraw/zinc/59/93/14/701599314.db2.gz GGJXWQGLKLEARI-UHFFFAOYSA-N 1 2 347.409 1.359 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCO[C@@H](CC)C3)CC2)C1 ZINC000941632401 701600592 /nfs/dbraw/zinc/60/05/92/701600592.db2.gz DJZXGSUKKBKFJQ-MJGOQNOKSA-N 1 2 347.503 1.433 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000939481585 699629303 /nfs/dbraw/zinc/62/93/03/699629303.db2.gz BYLAUFJENLSSGF-KBXCAEBGSA-N 1 2 332.448 1.922 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)C1 ZINC000941651099 701611802 /nfs/dbraw/zinc/61/18/02/701611802.db2.gz RXZNVPOIEDBAAD-UHFFFAOYSA-N 1 2 333.435 1.915 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CC[C@H](C)O3)CC2)C1 ZINC000941674807 701614724 /nfs/dbraw/zinc/61/47/24/701614724.db2.gz MXOBOKBIHWBUPR-FUHWJXTLSA-N 1 2 333.476 1.186 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]2C)C1 ZINC000945430407 700275074 /nfs/dbraw/zinc/27/50/74/700275074.db2.gz PDFFLDZQSHYPMX-CVEARBPZSA-N 1 2 344.459 1.983 20 30 EDEDLO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH2+]Cc1csnn1 ZINC000995706335 700638754 /nfs/dbraw/zinc/63/87/54/700638754.db2.gz LKILGZMMJRRJBX-ZDUSSCGKSA-N 1 2 330.417 1.378 20 30 EDEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000940859059 700957914 /nfs/dbraw/zinc/95/79/14/700957914.db2.gz QPWQNNLOBKAHLY-CQSZACIVSA-N 1 2 344.444 1.768 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000940859059 700957915 /nfs/dbraw/zinc/95/79/15/700957915.db2.gz QPWQNNLOBKAHLY-CQSZACIVSA-N 1 2 344.444 1.768 20 30 EDEDLO CC1(C)C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000940859059 700957917 /nfs/dbraw/zinc/95/79/17/700957917.db2.gz QPWQNNLOBKAHLY-CQSZACIVSA-N 1 2 344.444 1.768 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000940859059 700957918 /nfs/dbraw/zinc/95/79/18/700957918.db2.gz QPWQNNLOBKAHLY-CQSZACIVSA-N 1 2 344.444 1.768 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC000999195512 706638347 /nfs/dbraw/zinc/63/83/47/706638347.db2.gz RUMQJKYAJUURDN-ZNMIVQPWSA-N 1 2 348.447 1.694 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)C[C@H]2C)nc1 ZINC000944192433 702484568 /nfs/dbraw/zinc/48/45/68/702484568.db2.gz LPBPOKUIVRKTHL-ZBFHGGJFSA-N 1 2 335.411 1.493 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncccn3)C[C@H]2C)nc1 ZINC000944192433 702484572 /nfs/dbraw/zinc/48/45/72/702484572.db2.gz LPBPOKUIVRKTHL-ZBFHGGJFSA-N 1 2 335.411 1.493 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ncnn2C)C[C@H]1C ZINC000942129709 702633232 /nfs/dbraw/zinc/63/32/32/702633232.db2.gz KXNJIAQUKYAFKE-HUUCEWRRSA-N 1 2 342.447 1.443 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2ncnn2C)C[C@H]1C ZINC000942129709 702633235 /nfs/dbraw/zinc/63/32/35/702633235.db2.gz KXNJIAQUKYAFKE-HUUCEWRRSA-N 1 2 342.447 1.443 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)n2)C[C@@H]1C ZINC000942131800 702635767 /nfs/dbraw/zinc/63/57/67/702635767.db2.gz ZXOOPMOKEYLUCP-HOCLYGCPSA-N 1 2 342.447 1.443 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)n2)C[C@@H]1C ZINC000942131800 702635770 /nfs/dbraw/zinc/63/57/70/702635770.db2.gz ZXOOPMOKEYLUCP-HOCLYGCPSA-N 1 2 342.447 1.443 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)C[C@H]2C)cc1 ZINC000942552081 703061132 /nfs/dbraw/zinc/06/11/32/703061132.db2.gz AHCOJENYEPHWQW-KDOFPFPSSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)C[C@H]2C)cc1 ZINC000942552081 703061134 /nfs/dbraw/zinc/06/11/34/703061134.db2.gz AHCOJENYEPHWQW-KDOFPFPSSA-N 1 2 337.427 1.437 20 30 EDEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001060775252 703184873 /nfs/dbraw/zinc/18/48/73/703184873.db2.gz BOLMGRUGUPTUDR-KKUMJFAQSA-N 1 2 345.447 1.304 20 30 EDEDLO Cn1nccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)s1 ZINC001032376967 703337148 /nfs/dbraw/zinc/33/71/48/703337148.db2.gz AHKCKGNCPBKJNP-KBPBESRZSA-N 1 2 341.440 1.381 20 30 EDEDLO Cn1nccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)s1 ZINC001032376967 703337151 /nfs/dbraw/zinc/33/71/51/703337151.db2.gz AHKCKGNCPBKJNP-KBPBESRZSA-N 1 2 341.440 1.381 20 30 EDEDLO Cc1ccc(C#N)c(NC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC001060863740 703771184 /nfs/dbraw/zinc/77/11/84/703771184.db2.gz SGZZWJHQIGUFPY-CQSZACIVSA-N 1 2 338.415 1.878 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2cccc(Cl)c12 ZINC001032510061 703861096 /nfs/dbraw/zinc/86/10/96/703861096.db2.gz HCXPUTMVKRASOB-STQMWFEESA-N 1 2 328.803 1.910 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn2cccc(Cl)c12 ZINC001032510061 703861099 /nfs/dbraw/zinc/86/10/99/703861099.db2.gz HCXPUTMVKRASOB-STQMWFEESA-N 1 2 328.803 1.910 20 30 EDEDLO COc1nccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)n1 ZINC001032513702 703906004 /nfs/dbraw/zinc/90/60/04/703906004.db2.gz WTDFGLLYAGIVSG-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO COc1nccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)n1 ZINC001032513702 703906006 /nfs/dbraw/zinc/90/60/06/703906006.db2.gz WTDFGLLYAGIVSG-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO CN(C(=O)c1cnnn1C)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033059695 703938040 /nfs/dbraw/zinc/93/80/40/703938040.db2.gz ZKKTWSNCURQKDF-MRXNPFEDSA-N 1 2 341.390 1.152 20 30 EDEDLO CN(C(=O)c1cnnn1C)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033059695 703938042 /nfs/dbraw/zinc/93/80/42/703938042.db2.gz ZKKTWSNCURQKDF-MRXNPFEDSA-N 1 2 341.390 1.152 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2noc(-c3ccoc3)n2)C(C)(C)C1 ZINC000995568222 704017762 /nfs/dbraw/zinc/01/77/62/704017762.db2.gz XHCNYYCLVNCODR-YPMHNXCESA-N 1 2 343.387 1.816 20 30 EDEDLO CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCN(CC#N)CC1 ZINC000998050663 705245003 /nfs/dbraw/zinc/24/50/03/705245003.db2.gz IACMUDORELDMEE-JKSUJKDBSA-N 1 2 329.448 1.672 20 30 EDEDLO O=C(C#CC1CC1)N1CC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000998970104 706390747 /nfs/dbraw/zinc/39/07/47/706390747.db2.gz WUGXRNJMQOHPCE-UHFFFAOYSA-N 1 2 334.379 1.226 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033313417 707487723 /nfs/dbraw/zinc/48/77/23/707487723.db2.gz WIOPMDKZBIAHDF-ZDUSSCGKSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033313417 707487727 /nfs/dbraw/zinc/48/77/27/707487727.db2.gz WIOPMDKZBIAHDF-ZDUSSCGKSA-N 1 2 345.403 1.895 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001005112949 707593391 /nfs/dbraw/zinc/59/33/91/707593391.db2.gz RNUYITAIZRJLDO-IUODEOHRSA-N 1 2 332.448 1.826 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2COCCO2)CC1 ZINC001005127686 707649629 /nfs/dbraw/zinc/64/96/29/707649629.db2.gz UVMUSXMSIQGETI-ZDUSSCGKSA-N 1 2 347.253 1.233 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001033357688 707676415 /nfs/dbraw/zinc/67/64/15/707676415.db2.gz AJXGPYHQKQPDGE-ZFWWWQNUSA-N 1 2 336.867 1.810 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3cnn(C)c3C2)C1 ZINC001033357688 707676418 /nfs/dbraw/zinc/67/64/18/707676418.db2.gz AJXGPYHQKQPDGE-ZFWWWQNUSA-N 1 2 336.867 1.810 20 30 EDEDLO Cn1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)c1=O ZINC001032738477 707764422 /nfs/dbraw/zinc/76/44/22/707764422.db2.gz HWGBARVCWDIJRO-ROUUACIJSA-N 1 2 347.418 1.336 20 30 EDEDLO Cn1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#Cc2ccccc2)c1=O ZINC001032738477 707764425 /nfs/dbraw/zinc/76/44/25/707764425.db2.gz HWGBARVCWDIJRO-ROUUACIJSA-N 1 2 347.418 1.336 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001033432436 707819997 /nfs/dbraw/zinc/81/99/97/707819997.db2.gz OHBNNMXMXYGSGZ-BMFZPTHFSA-N 1 2 333.432 1.861 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(CC)o2)C1 ZINC001033432436 707820000 /nfs/dbraw/zinc/82/00/00/707820000.db2.gz OHBNNMXMXYGSGZ-BMFZPTHFSA-N 1 2 333.432 1.861 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033433814 707824292 /nfs/dbraw/zinc/82/42/92/707824292.db2.gz XHZSKEPKWZTDGM-ZACQAIPSSA-N 1 2 333.407 1.845 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033433814 707824295 /nfs/dbraw/zinc/82/42/95/707824295.db2.gz XHZSKEPKWZTDGM-ZACQAIPSSA-N 1 2 333.407 1.845 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033431458 707863601 /nfs/dbraw/zinc/86/36/01/707863601.db2.gz CSNJZBFNEMAXCC-BBWFWOEESA-N 1 2 332.448 1.352 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033431458 707863603 /nfs/dbraw/zinc/86/36/03/707863603.db2.gz CSNJZBFNEMAXCC-BBWFWOEESA-N 1 2 332.448 1.352 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001061663065 708105125 /nfs/dbraw/zinc/10/51/25/708105125.db2.gz GHISETYKGWFJDV-ZBFHGGJFSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001061663065 708105127 /nfs/dbraw/zinc/10/51/27/708105127.db2.gz GHISETYKGWFJDV-ZBFHGGJFSA-N 1 2 348.447 1.288 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnc(C)cn3)C2)nc1 ZINC001033595095 708292471 /nfs/dbraw/zinc/29/24/71/708292471.db2.gz ACPXWVWNIGBYPA-QGZVFWFLSA-N 1 2 335.411 1.508 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)nc1 ZINC001033595095 708292474 /nfs/dbraw/zinc/29/24/74/708292474.db2.gz ACPXWVWNIGBYPA-QGZVFWFLSA-N 1 2 335.411 1.508 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3nnn(C)c3c2)C1 ZINC001033618278 708347012 /nfs/dbraw/zinc/34/70/12/708347012.db2.gz GADWXRLPDRBDFM-ZDUSSCGKSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3nnn(C)c3c2)C1 ZINC001033618278 708347015 /nfs/dbraw/zinc/34/70/15/708347015.db2.gz GADWXRLPDRBDFM-ZDUSSCGKSA-N 1 2 333.823 1.867 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](CNC(=O)c3cccc4[nH+]ccn43)C2)cn1 ZINC001061680053 708422900 /nfs/dbraw/zinc/42/29/00/708422900.db2.gz HTYGEWXCBFHHIX-CQSZACIVSA-N 1 2 346.394 1.857 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnn3c2OCCC3)C1 ZINC001033886629 708993861 /nfs/dbraw/zinc/99/38/61/708993861.db2.gz YVEGOLLEELSVSX-ZDUSSCGKSA-N 1 2 338.839 1.955 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn3c2OCCC3)C1 ZINC001033886629 708993862 /nfs/dbraw/zinc/99/38/62/708993862.db2.gz YVEGOLLEELSVSX-ZDUSSCGKSA-N 1 2 338.839 1.955 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H](Nc2cncc(C#N)n2)C1 ZINC001061098380 709054839 /nfs/dbraw/zinc/05/48/39/709054839.db2.gz MNPHWBAJWFEOKM-OLZOCXBDSA-N 1 2 339.403 1.462 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2=CCOCC2)CC1 ZINC001002661016 709241290 /nfs/dbraw/zinc/24/12/90/709241290.db2.gz XTSKVRKLXJSHKF-UHFFFAOYSA-N 1 2 329.238 1.822 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001002778312 709378892 /nfs/dbraw/zinc/37/88/92/709378892.db2.gz DFFVUZLRIXUNKC-CQSZACIVSA-N 1 2 330.432 1.232 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001002931540 709597535 /nfs/dbraw/zinc/59/75/35/709597535.db2.gz OLAZMYMKTSGEAD-KBPBESRZSA-N 1 2 339.399 1.557 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001034271015 709676856 /nfs/dbraw/zinc/67/68/56/709676856.db2.gz HQCMTXUWDLZPQY-CYBMUJFWSA-N 1 2 338.839 1.750 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001034271015 709676859 /nfs/dbraw/zinc/67/68/59/709676859.db2.gz HQCMTXUWDLZPQY-CYBMUJFWSA-N 1 2 338.839 1.750 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccn(CCOC)n2)C1 ZINC001034305780 709743801 /nfs/dbraw/zinc/74/38/01/709743801.db2.gz LXJMXJBEZGYOOM-AWEZNQCLSA-N 1 2 340.855 1.866 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn(CCOC)n2)C1 ZINC001034305780 709743804 /nfs/dbraw/zinc/74/38/04/709743804.db2.gz LXJMXJBEZGYOOM-AWEZNQCLSA-N 1 2 340.855 1.866 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](N(C)C(=O)C(C)C)C2)c1 ZINC001032918635 710785285 /nfs/dbraw/zinc/78/52/85/710785285.db2.gz NLQZANBXEPVDOC-KRWDZBQOSA-N 1 2 327.428 1.795 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](N(C)C(=O)C(C)C)C2)c1 ZINC001032918635 710785286 /nfs/dbraw/zinc/78/52/86/710785286.db2.gz NLQZANBXEPVDOC-KRWDZBQOSA-N 1 2 327.428 1.795 20 30 EDEDLO CN(C(=O)c1ccnn1C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032946201 710927225 /nfs/dbraw/zinc/92/72/25/710927225.db2.gz URHWWYKKPRDMNN-OAHLLOKOSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1ccnn1C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032946201 710927229 /nfs/dbraw/zinc/92/72/29/710927229.db2.gz URHWWYKKPRDMNN-OAHLLOKOSA-N 1 2 341.390 1.777 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cc(C)n[nH]2)C1 ZINC001032999961 711170331 /nfs/dbraw/zinc/17/03/31/711170331.db2.gz NWDXTHJPKVCEQC-CYBMUJFWSA-N 1 2 341.253 1.702 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc(C)n[nH]2)C1 ZINC001032999961 711170334 /nfs/dbraw/zinc/17/03/34/711170334.db2.gz NWDXTHJPKVCEQC-CYBMUJFWSA-N 1 2 341.253 1.702 20 30 EDEDLO N#Cc1nccc(N2CCC[C@H]2CNC(=O)c2cccc3[nH+]ccn32)n1 ZINC001061413676 711601661 /nfs/dbraw/zinc/60/16/61/711601661.db2.gz JIBKDLLGTKZKRH-ZDUSSCGKSA-N 1 2 347.382 1.395 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001033128070 711879214 /nfs/dbraw/zinc/87/92/14/711879214.db2.gz HZHQSRUKQVSXQZ-KGLIPLIRSA-N 1 2 341.883 1.919 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001033128070 711879217 /nfs/dbraw/zinc/87/92/17/711879217.db2.gz HZHQSRUKQVSXQZ-KGLIPLIRSA-N 1 2 341.883 1.919 20 30 EDEDLO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC[C@@H]2C1 ZINC000946644980 712153664 /nfs/dbraw/zinc/15/36/64/712153664.db2.gz LMDYCMUQKXXXER-MCIONIFRSA-N 1 2 348.896 1.342 20 30 EDEDLO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)CC[C@@H]2C1 ZINC000946644980 712153665 /nfs/dbraw/zinc/15/36/65/712153665.db2.gz LMDYCMUQKXXXER-MCIONIFRSA-N 1 2 348.896 1.342 20 30 EDEDLO CCc1nnc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000136642110 529769203 /nfs/dbraw/zinc/76/92/03/529769203.db2.gz GUUPHWWIKGYQDH-UHFFFAOYSA-N 1 2 345.403 1.301 20 30 EDEDLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000328845864 539372105 /nfs/dbraw/zinc/37/21/05/539372105.db2.gz RURBDFRZQIVHRV-MELADBBJSA-N 1 2 343.493 1.611 20 30 EDEDLO C[C@H](NC(=O)c1csc(-c2nc[nH]n2)n1)[C@H](C)[NH+]1CCOCC1 ZINC000329098444 539406811 /nfs/dbraw/zinc/40/68/11/539406811.db2.gz LXHYFPTZCTXAFS-UWVGGRQHSA-N 1 2 336.421 1.342 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)CN2c3ccccc3CCC2=O)C1 ZINC000329398607 539433649 /nfs/dbraw/zinc/43/36/49/539433649.db2.gz YDOISYDUYQHYGB-OAHLLOKOSA-N 1 2 330.432 1.168 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)CN2c3ccccc3CCC2=O)C1 ZINC000329398607 539433651 /nfs/dbraw/zinc/43/36/51/539433651.db2.gz YDOISYDUYQHYGB-OAHLLOKOSA-N 1 2 330.432 1.168 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC(=O)N3C)c[nH+]2)CCO1 ZINC000329998275 539486439 /nfs/dbraw/zinc/48/64/39/539486439.db2.gz SAFQLYLMWVXLPB-OCCSQVGLSA-N 1 2 332.404 1.384 20 30 EDEDLO N#Cc1cc(F)ccc1CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000103139301 219260205 /nfs/dbraw/zinc/26/02/05/219260205.db2.gz JZHGRQORRPVNDS-UHFFFAOYSA-N 1 2 344.434 1.827 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000332899229 539612300 /nfs/dbraw/zinc/61/23/00/539612300.db2.gz NRPDVUDVTIWNFJ-RDJZCZTQSA-N 1 2 344.463 1.556 20 30 EDEDLO N#Cc1ccsc1NC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000023253378 202101596 /nfs/dbraw/zinc/10/15/96/202101596.db2.gz XSDPKQQDOWBVKW-UHFFFAOYSA-N 1 2 330.413 1.969 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCc2ccc(C#N)s2)CCN1C ZINC000563852597 306349699 /nfs/dbraw/zinc/34/96/99/306349699.db2.gz SSGLMFFNQHANEQ-AWEZNQCLSA-N 1 2 344.444 1.552 20 30 EDEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000066492738 201157213 /nfs/dbraw/zinc/15/72/13/201157213.db2.gz IEQOJZSFIIVXLC-OAHLLOKOSA-N 1 2 329.404 1.302 20 30 EDEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000066492738 201157217 /nfs/dbraw/zinc/15/72/17/201157217.db2.gz IEQOJZSFIIVXLC-OAHLLOKOSA-N 1 2 329.404 1.302 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](c1nc(C(C)C)no1)C1CCOCC1 ZINC000275256456 201278162 /nfs/dbraw/zinc/27/81/62/201278162.db2.gz HMDTUWANXSLWKT-TZMCWYRMSA-N 1 2 334.420 1.388 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@](O)(c2nc(C3CC3)no2)C1 ZINC000277529092 201303434 /nfs/dbraw/zinc/30/34/34/201303434.db2.gz UPLHSHYGRVBWIP-KRWDZBQOSA-N 1 2 332.404 1.041 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@](O)(c2nc(C3CC3)no2)C1 ZINC000277529092 201303439 /nfs/dbraw/zinc/30/34/39/201303439.db2.gz UPLHSHYGRVBWIP-KRWDZBQOSA-N 1 2 332.404 1.041 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000130147070 205225809 /nfs/dbraw/zinc/22/58/09/205225809.db2.gz MSHHLKYYRFSHNN-MRXNPFEDSA-N 1 2 326.444 1.687 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000130147070 205225814 /nfs/dbraw/zinc/22/58/14/205225814.db2.gz MSHHLKYYRFSHNN-MRXNPFEDSA-N 1 2 326.444 1.687 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246547721 139112416 /nfs/dbraw/zinc/11/24/16/139112416.db2.gz TVHIHRZYGCUELX-RVKKMQEKSA-N 1 2 342.443 1.538 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ncnc4sccc43)CC2)C1=O ZINC000282124436 249518592 /nfs/dbraw/zinc/51/85/92/249518592.db2.gz YBUUSBUTPUSGOS-CQSZACIVSA-N 1 2 343.456 1.600 20 30 EDEDLO Cc1nc(C2([NH2+]CC(=O)N(CCC#N)CCC#N)CCCCC2)no1 ZINC000299263485 249793320 /nfs/dbraw/zinc/79/33/20/249793320.db2.gz IZAWXCYCPCPKEF-UHFFFAOYSA-N 1 2 344.419 1.783 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000012141521 211303289 /nfs/dbraw/zinc/30/32/89/211303289.db2.gz MZLUKGVKSXAHAS-UHFFFAOYSA-N 1 2 341.436 1.895 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000012141521 211303292 /nfs/dbraw/zinc/30/32/92/211303292.db2.gz MZLUKGVKSXAHAS-UHFFFAOYSA-N 1 2 341.436 1.895 20 30 EDEDLO C=CCCCNC(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000342528380 250007218 /nfs/dbraw/zinc/00/72/18/250007218.db2.gz NVVQJNIDMHNVTL-UHFFFAOYSA-N 1 2 340.427 1.824 20 30 EDEDLO C=CCN1CC[C@@H](Nc2ccc([NH+]3CCCCC3)cc2C(N)=O)C1=O ZINC000347870724 250054580 /nfs/dbraw/zinc/05/45/80/250054580.db2.gz WFMADSLXRIWBKK-QGZVFWFLSA-N 1 2 342.443 1.975 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000352237818 250076103 /nfs/dbraw/zinc/07/61/03/250076103.db2.gz LKWWZGCAGDOADG-JYJNAYRXSA-N 1 2 339.480 1.415 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000365417414 250187112 /nfs/dbraw/zinc/18/71/12/250187112.db2.gz AUDNECPUMBFNTO-MRXNPFEDSA-N 1 2 339.399 1.300 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000365417414 250187116 /nfs/dbraw/zinc/18/71/16/250187116.db2.gz AUDNECPUMBFNTO-MRXNPFEDSA-N 1 2 339.399 1.300 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000367773804 250195838 /nfs/dbraw/zinc/19/58/38/250195838.db2.gz UEQWRXXBSTTYTC-HDICACEKSA-N 1 2 327.428 1.401 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000367773804 250195841 /nfs/dbraw/zinc/19/58/41/250195841.db2.gz UEQWRXXBSTTYTC-HDICACEKSA-N 1 2 327.428 1.401 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000367773804 250195844 /nfs/dbraw/zinc/19/58/44/250195844.db2.gz UEQWRXXBSTTYTC-HDICACEKSA-N 1 2 327.428 1.401 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000367773804 250195849 /nfs/dbraw/zinc/19/58/49/250195849.db2.gz UEQWRXXBSTTYTC-HDICACEKSA-N 1 2 327.428 1.401 20 30 EDEDLO C#CCCCCNC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000371956412 250215616 /nfs/dbraw/zinc/21/56/16/250215616.db2.gz GOEDPQDZSACLBP-UHFFFAOYSA-N 1 2 336.480 1.422 20 30 EDEDLO C#CCCCCNC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000371956412 250215618 /nfs/dbraw/zinc/21/56/18/250215618.db2.gz GOEDPQDZSACLBP-UHFFFAOYSA-N 1 2 336.480 1.422 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000372362867 250218968 /nfs/dbraw/zinc/21/89/68/250218968.db2.gz AJMJVRQVUBOIAC-CYBMUJFWSA-N 1 2 342.428 1.779 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000372362867 250218970 /nfs/dbraw/zinc/21/89/70/250218970.db2.gz AJMJVRQVUBOIAC-CYBMUJFWSA-N 1 2 342.428 1.779 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000368822595 250201276 /nfs/dbraw/zinc/20/12/76/250201276.db2.gz LBWRNJYNGKGOFW-GDBMZVCRSA-N 1 2 344.415 1.754 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000374506298 250268158 /nfs/dbraw/zinc/26/81/58/250268158.db2.gz PAEJYPQRHJRBPR-HNNXBMFYSA-N 1 2 340.431 1.083 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)CCC(C)(C)C#N)C[C@@H]1[NH+]1CCOCC1 ZINC000377839438 250293625 /nfs/dbraw/zinc/29/36/25/250293625.db2.gz JCCRNIUOOFLAIS-GJZGRUSLSA-N 1 2 343.493 1.299 20 30 EDEDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000253376525 139206262 /nfs/dbraw/zinc/20/62/62/139206262.db2.gz UEUHHZWKRBVYDP-OAHLLOKOSA-N 1 2 342.443 1.222 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000253376525 139206263 /nfs/dbraw/zinc/20/62/63/139206263.db2.gz UEUHHZWKRBVYDP-OAHLLOKOSA-N 1 2 342.443 1.222 20 30 EDEDLO O=C(NCC#Cc1ccccc1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000490158087 255080751 /nfs/dbraw/zinc/08/07/51/255080751.db2.gz KOOTXPARSRZXSD-UHFFFAOYSA-N 1 2 344.374 1.979 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000490739927 255104357 /nfs/dbraw/zinc/10/43/57/255104357.db2.gz HWKHDMKFRYPXCF-SFHVURJKSA-N 1 2 345.443 1.038 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000490739927 255104359 /nfs/dbraw/zinc/10/43/59/255104359.db2.gz HWKHDMKFRYPXCF-SFHVURJKSA-N 1 2 345.443 1.038 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000490779157 255107008 /nfs/dbraw/zinc/10/70/08/255107008.db2.gz RNVKLIOJGKEQHR-UHFFFAOYSA-N 1 2 337.763 1.404 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(OC)cc(OC)c2C)CC1 ZINC000491043492 255115852 /nfs/dbraw/zinc/11/58/52/255115852.db2.gz CJPALLZFJCYSJV-UHFFFAOYSA-N 1 2 331.416 1.202 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000491643186 255136890 /nfs/dbraw/zinc/13/68/90/255136890.db2.gz ZRHFPZCZZWKFHH-SOUVJXGZSA-N 1 2 330.432 1.858 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2C2CC2)CC1 ZINC000491670955 255137925 /nfs/dbraw/zinc/13/79/25/255137925.db2.gz PSFYDOVUPQUEOX-CQSZACIVSA-N 1 2 333.436 1.092 20 30 EDEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000495271974 255277208 /nfs/dbraw/zinc/27/72/08/255277208.db2.gz WLJZEMRKCWNFPW-ZFWWWQNUSA-N 1 2 346.431 1.913 20 30 EDEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000495271974 255277209 /nfs/dbraw/zinc/27/72/09/255277209.db2.gz WLJZEMRKCWNFPW-ZFWWWQNUSA-N 1 2 346.431 1.913 20 30 EDEDLO C=CCNC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495642304 255311072 /nfs/dbraw/zinc/31/10/72/255311072.db2.gz SLDDWBGZPJSGRP-AWEZNQCLSA-N 1 2 338.452 1.509 20 30 EDEDLO CN(CC(=O)N[C@](C)(C#N)C[NH+](C)C)C(=O)OCc1ccccc1 ZINC000496362820 255386692 /nfs/dbraw/zinc/38/66/92/255386692.db2.gz NNKCFDOCDWXYJB-QGZVFWFLSA-N 1 2 332.404 1.215 20 30 EDEDLO COCCN(CCNc1cc(C)[nH+]cc1C#N)C(=O)OC(C)(C)C ZINC000496242907 255369645 /nfs/dbraw/zinc/36/96/45/255369645.db2.gz FIXSGRJQSZJSII-UHFFFAOYSA-N 1 2 334.420 1.979 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCN(c3ccccc3)C2=O)C(N)=O)cc1 ZINC000115599932 220879639 /nfs/dbraw/zinc/87/96/39/220879639.db2.gz IYNAXYKIVZUIEN-IAGOWNOFSA-N 1 2 334.379 1.480 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000115597973 220880373 /nfs/dbraw/zinc/88/03/73/220880373.db2.gz IKFVZELURNFSSZ-MRXNPFEDSA-N 1 2 342.786 1.966 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)CCC3CC3)CC2)cc1 ZINC000271242988 140262387 /nfs/dbraw/zinc/26/23/87/140262387.db2.gz FGGSGQKZTUXKDH-UHFFFAOYSA-N 1 2 333.457 1.806 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)o1 ZINC000340188509 142296717 /nfs/dbraw/zinc/29/67/17/142296717.db2.gz KLCQECMXCFNOOC-MRXNPFEDSA-N 1 2 339.395 1.825 20 30 EDEDLO Cc1cccc2[nH+]c(CNS(=O)(=O)c3ccc(C#N)nc3)cn21 ZINC000345141142 143056497 /nfs/dbraw/zinc/05/64/97/143056497.db2.gz YXTZCRJJQHERAV-UHFFFAOYSA-N 1 2 327.369 1.388 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000345415879 143088704 /nfs/dbraw/zinc/08/87/04/143088704.db2.gz PGGGBOHBRZDPBV-HNNXBMFYSA-N 1 2 345.443 1.895 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000345415879 143088705 /nfs/dbraw/zinc/08/87/05/143088705.db2.gz PGGGBOHBRZDPBV-HNNXBMFYSA-N 1 2 345.443 1.895 20 30 EDEDLO N#Cc1ccc(F)c(CS(=O)(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000347019579 143272210 /nfs/dbraw/zinc/27/22/10/143272210.db2.gz WJBHSWNPALPJNW-UHFFFAOYSA-N 1 2 348.403 1.850 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)[nH]1 ZINC000355458203 150276745 /nfs/dbraw/zinc/27/67/45/150276745.db2.gz QXHLAOHYMXJUFH-UHFFFAOYSA-N 1 2 325.372 1.390 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000362136323 286192152 /nfs/dbraw/zinc/19/21/52/286192152.db2.gz WPHLNBYELMSPMX-HIFRSBDPSA-N 1 2 349.456 1.814 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000362136323 286192154 /nfs/dbraw/zinc/19/21/54/286192154.db2.gz WPHLNBYELMSPMX-HIFRSBDPSA-N 1 2 349.456 1.814 20 30 EDEDLO COc1cc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)ccc1C#N ZINC000358286358 151326514 /nfs/dbraw/zinc/32/65/14/151326514.db2.gz ZPPHSBYXLANDOB-INIZCTEOSA-N 1 2 344.415 1.183 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000359520478 151741532 /nfs/dbraw/zinc/74/15/32/151741532.db2.gz KUTOKJQXMGZXPL-INIZCTEOSA-N 1 2 345.349 1.776 20 30 EDEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C12CCC2 ZINC000329097260 286312839 /nfs/dbraw/zinc/31/28/39/286312839.db2.gz YMPKIQKPTNUTGC-YHUYYLMFSA-N 1 2 337.464 1.653 20 30 EDEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C12CCC2 ZINC000329097260 286312842 /nfs/dbraw/zinc/31/28/42/286312842.db2.gz YMPKIQKPTNUTGC-YHUYYLMFSA-N 1 2 337.464 1.653 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363942851 153103177 /nfs/dbraw/zinc/10/31/77/153103177.db2.gz VYLMHIPQQSDHOR-GOEBONIOSA-N 1 2 329.400 1.259 20 30 EDEDLO CCN1CCO[C@H](C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000363957712 153107728 /nfs/dbraw/zinc/10/77/28/153107728.db2.gz DTCBBJFHCVAAFA-HNNXBMFYSA-N 1 2 332.423 1.540 20 30 EDEDLO CC(C)(C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc(F)cc(C#N)c1 ZINC000367569842 154179533 /nfs/dbraw/zinc/17/95/33/154179533.db2.gz DCQIUAFOIGKMGE-QGZVFWFLSA-N 1 2 345.418 1.954 20 30 EDEDLO CC(C)(C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc(F)cc(C#N)c1 ZINC000367569842 154179536 /nfs/dbraw/zinc/17/95/36/154179536.db2.gz DCQIUAFOIGKMGE-QGZVFWFLSA-N 1 2 345.418 1.954 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1-n1cnc(C#N)n1)[NH+]1CCSCC1 ZINC000368289300 154491879 /nfs/dbraw/zinc/49/18/79/154491879.db2.gz XHOUCPLQCRRGCM-GFCCVEGCSA-N 1 2 342.428 1.515 20 30 EDEDLO COC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000371826653 156124663 /nfs/dbraw/zinc/12/46/63/156124663.db2.gz LCNZXASDUZJNTE-BQYQJAHWSA-N 1 2 327.384 1.279 20 30 EDEDLO COC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000371826653 156124667 /nfs/dbraw/zinc/12/46/67/156124667.db2.gz LCNZXASDUZJNTE-BQYQJAHWSA-N 1 2 327.384 1.279 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@]2(CCCOC2)O1 ZINC000373804067 157012743 /nfs/dbraw/zinc/01/27/43/157012743.db2.gz GIPPBUHBDDZKFH-KXBFYZLASA-N 1 2 343.427 1.444 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@]2(CCCOC2)O1 ZINC000373804067 157012748 /nfs/dbraw/zinc/01/27/48/157012748.db2.gz GIPPBUHBDDZKFH-KXBFYZLASA-N 1 2 343.427 1.444 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093610601 287335271 /nfs/dbraw/zinc/33/52/71/287335271.db2.gz GXAQLJZZQUCCDT-ZDUSSCGKSA-N 1 2 330.413 1.686 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093610601 287335272 /nfs/dbraw/zinc/33/52/72/287335272.db2.gz GXAQLJZZQUCCDT-ZDUSSCGKSA-N 1 2 330.413 1.686 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1C[C@@H](C)O ZINC000122692071 222139527 /nfs/dbraw/zinc/13/95/27/222139527.db2.gz QYKXQPKEKOAOMI-HIFRSBDPSA-N 1 2 337.445 1.024 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1C[C@@H](C)O ZINC000122692071 222139530 /nfs/dbraw/zinc/13/95/30/222139530.db2.gz QYKXQPKEKOAOMI-HIFRSBDPSA-N 1 2 337.445 1.024 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1 ZINC000412103941 270011730 /nfs/dbraw/zinc/01/17/30/270011730.db2.gz LYCGQTURXHMQPC-OCCSQVGLSA-N 1 2 325.206 1.496 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1 ZINC000412103941 270011731 /nfs/dbraw/zinc/01/17/31/270011731.db2.gz LYCGQTURXHMQPC-OCCSQVGLSA-N 1 2 325.206 1.496 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000527113842 270015460 /nfs/dbraw/zinc/01/54/60/270015460.db2.gz ODGSSALBGHHNOJ-UHFFFAOYSA-N 1 2 339.399 1.736 20 30 EDEDLO CCCNC(=O)C[N@H+](CCC)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298243213 266056577 /nfs/dbraw/zinc/05/65/77/266056577.db2.gz SHUKNDOZNQTHOR-QGZVFWFLSA-N 1 2 342.443 1.902 20 30 EDEDLO CCCNC(=O)C[N@@H+](CCC)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298243213 266056579 /nfs/dbraw/zinc/05/65/79/266056579.db2.gz SHUKNDOZNQTHOR-QGZVFWFLSA-N 1 2 342.443 1.902 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274165639 267137512 /nfs/dbraw/zinc/13/75/12/267137512.db2.gz HFXPPMMTSKEMHO-WBMJQRKESA-N 1 2 341.415 1.421 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274165639 267137517 /nfs/dbraw/zinc/13/75/17/267137517.db2.gz HFXPPMMTSKEMHO-WBMJQRKESA-N 1 2 341.415 1.421 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cn(C)nc1C(F)F ZINC000274450047 267241766 /nfs/dbraw/zinc/24/17/66/267241766.db2.gz DYIVMVFNTSMEPU-NSHDSACASA-N 1 2 347.373 1.730 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cn(C)nc1C(F)F ZINC000274450047 267241770 /nfs/dbraw/zinc/24/17/70/267241770.db2.gz DYIVMVFNTSMEPU-NSHDSACASA-N 1 2 347.373 1.730 20 30 EDEDLO C[C@](O)(CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000281833508 267255248 /nfs/dbraw/zinc/25/52/48/267255248.db2.gz LAOQOZCXFNJLMB-HNNXBMFYSA-N 1 2 327.350 1.989 20 30 EDEDLO C[C@](O)(C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000281833508 267255251 /nfs/dbraw/zinc/25/52/51/267255251.db2.gz LAOQOZCXFNJLMB-HNNXBMFYSA-N 1 2 327.350 1.989 20 30 EDEDLO Cc1cn(C[C@H](O)C[N@H+](C)CCC#N)c(=O)n1-c1ccc(C#N)cc1 ZINC000414168248 268069329 /nfs/dbraw/zinc/06/93/29/268069329.db2.gz UOQIIBGOIHQYAA-QGZVFWFLSA-N 1 2 339.399 1.025 20 30 EDEDLO Cc1cn(C[C@H](O)C[N@@H+](C)CCC#N)c(=O)n1-c1ccc(C#N)cc1 ZINC000414168248 268069331 /nfs/dbraw/zinc/06/93/31/268069331.db2.gz UOQIIBGOIHQYAA-QGZVFWFLSA-N 1 2 339.399 1.025 20 30 EDEDLO N#Cc1ccc(OC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c(F)c1 ZINC000286642755 268165996 /nfs/dbraw/zinc/16/59/96/268165996.db2.gz KZQOYUZPPWKDEQ-UHFFFAOYSA-N 1 2 328.347 1.964 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000516870528 268217824 /nfs/dbraw/zinc/21/78/24/268217824.db2.gz GCNMQPANGYUFSN-GFCCVEGCSA-N 1 2 328.332 1.670 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000516870528 268217825 /nfs/dbraw/zinc/21/78/25/268217825.db2.gz GCNMQPANGYUFSN-GFCCVEGCSA-N 1 2 328.332 1.670 20 30 EDEDLO N#Cc1cccc(NCC(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000151715355 268268899 /nfs/dbraw/zinc/26/88/99/268268899.db2.gz APTYHJWLWUAXEM-UHFFFAOYSA-N 1 2 335.411 1.710 20 30 EDEDLO N#Cc1ccsc1NC(=O)CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000514948071 268306485 /nfs/dbraw/zinc/30/64/85/268306485.db2.gz SOUCIOSUHCKXFN-AWEZNQCLSA-N 1 2 334.445 1.355 20 30 EDEDLO C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1c1ccc(F)cc1C#N ZINC000374153216 274353004 /nfs/dbraw/zinc/35/30/04/274353004.db2.gz GHTWDBWRYZHLAX-RHSMWYFYSA-N 1 2 332.423 1.538 20 30 EDEDLO C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1c1ccc(F)cc1C#N ZINC000374153216 274353005 /nfs/dbraw/zinc/35/30/05/274353005.db2.gz GHTWDBWRYZHLAX-RHSMWYFYSA-N 1 2 332.423 1.538 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000373261993 277801083 /nfs/dbraw/zinc/80/10/83/277801083.db2.gz SBRQNEBZAAASTJ-BRWVUGGUSA-N 1 2 349.475 1.171 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3=CCCOC3)CC2)cc1 ZINC000287845982 288336997 /nfs/dbraw/zinc/33/69/97/288336997.db2.gz BXRUYMWRRZIPAR-UHFFFAOYSA-N 1 2 340.427 1.732 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1snc(Cl)c1C#N ZINC000375349096 294485742 /nfs/dbraw/zinc/48/57/42/294485742.db2.gz WCYKWLFARUQQRV-LDYMZIIASA-N 1 2 336.808 1.833 20 30 EDEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331343325 298001500 /nfs/dbraw/zinc/00/15/00/298001500.db2.gz ZGTAXVYUJUNTBU-NXEZZACHSA-N 1 2 339.358 1.714 20 30 EDEDLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331343325 298001502 /nfs/dbraw/zinc/00/15/02/298001502.db2.gz ZGTAXVYUJUNTBU-NXEZZACHSA-N 1 2 339.358 1.714 20 30 EDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000448802909 447348241 /nfs/dbraw/zinc/34/82/41/447348241.db2.gz ARNRGXDVBCWQBF-BEFAXECRSA-N 1 2 343.427 1.564 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000535265912 306012392 /nfs/dbraw/zinc/01/23/92/306012392.db2.gz XXOGLAIWJUFPBP-KRWDZBQOSA-N 1 2 340.452 1.964 20 30 EDEDLO CC(C)CN1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)C1=O ZINC000426251336 447407560 /nfs/dbraw/zinc/40/75/60/447407560.db2.gz LOZNQYZVKNTEFZ-WBVHZDCISA-N 1 2 345.443 1.487 20 30 EDEDLO CC(C)CN1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)C1=O ZINC000426251336 447407566 /nfs/dbraw/zinc/40/75/66/447407566.db2.gz LOZNQYZVKNTEFZ-WBVHZDCISA-N 1 2 345.443 1.487 20 30 EDEDLO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000378293855 447414036 /nfs/dbraw/zinc/41/40/36/447414036.db2.gz UUNFTPZCJAURSY-CKFHNAJUSA-N 1 2 340.427 1.589 20 30 EDEDLO CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000378293855 447414040 /nfs/dbraw/zinc/41/40/40/447414040.db2.gz UUNFTPZCJAURSY-CKFHNAJUSA-N 1 2 340.427 1.589 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3cccc(F)c3s2)CC1 ZINC000450228161 447436731 /nfs/dbraw/zinc/43/67/31/447436731.db2.gz ARHHDZUTDRNCJJ-UHFFFAOYSA-N 1 2 334.420 1.860 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)NCCn1cc[nH+]c1 ZINC000046784693 441123431 /nfs/dbraw/zinc/12/34/31/441123431.db2.gz MZTQBJMPLADFCD-UHFFFAOYSA-N 1 2 328.372 1.739 20 30 EDEDLO COCCCNC(=O)[C@H](C)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000103493890 441183308 /nfs/dbraw/zinc/18/33/08/441183308.db2.gz ISASTCRJJPWKSB-INIZCTEOSA-N 1 2 344.459 1.217 20 30 EDEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000103493890 441183310 /nfs/dbraw/zinc/18/33/10/441183310.db2.gz ISASTCRJJPWKSB-INIZCTEOSA-N 1 2 344.459 1.217 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000048160644 441266618 /nfs/dbraw/zinc/26/66/18/441266618.db2.gz KIEYKTLAIDJDCO-AWEZNQCLSA-N 1 2 346.431 1.445 20 30 EDEDLO C[C@H]1C[NH+](Cc2ccc(C(=O)NC3=NC(=O)CN3)cc2)C[C@H](C)O1 ZINC000050223274 441378619 /nfs/dbraw/zinc/37/86/19/441378619.db2.gz GUMIFHMCIWSEAV-RYUDHWBXSA-N 1 2 330.388 1.086 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1C#N ZINC000106919695 441391055 /nfs/dbraw/zinc/39/10/55/441391055.db2.gz FWVCOWPCDAVYOG-GFCCVEGCSA-N 1 2 346.456 1.715 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1C#N ZINC000106919695 441391060 /nfs/dbraw/zinc/39/10/60/441391060.db2.gz FWVCOWPCDAVYOG-GFCCVEGCSA-N 1 2 346.456 1.715 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1C#N ZINC000106919698 441391132 /nfs/dbraw/zinc/39/11/32/441391132.db2.gz FWVCOWPCDAVYOG-LBPRGKRZSA-N 1 2 346.456 1.715 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1C#N ZINC000106919698 441391134 /nfs/dbraw/zinc/39/11/34/441391134.db2.gz FWVCOWPCDAVYOG-LBPRGKRZSA-N 1 2 346.456 1.715 20 30 EDEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3ccco3)CC2)c1 ZINC000051183277 441403071 /nfs/dbraw/zinc/40/30/71/441403071.db2.gz CUHICVPSNXWXHI-UHFFFAOYSA-N 1 2 325.368 1.988 20 30 EDEDLO C[C@H](NC(=O)N1CCO[C@H](C#N)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876133 441475873 /nfs/dbraw/zinc/47/58/73/441475873.db2.gz ZZFBGFDMZVBGSC-XJKSGUPXSA-N 1 2 325.372 1.867 20 30 EDEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000074980800 441484832 /nfs/dbraw/zinc/48/48/32/441484832.db2.gz AFOKCIKMVSXBDQ-UHFFFAOYSA-N 1 2 339.486 1.640 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000052508818 441454958 /nfs/dbraw/zinc/45/49/58/441454958.db2.gz MBPGLDNACKPGCG-OAHLLOKOSA-N 1 2 340.431 1.083 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000053506773 441526912 /nfs/dbraw/zinc/52/69/12/441526912.db2.gz XOVBAUUSZGEUJA-QGZVFWFLSA-N 1 2 328.416 1.564 20 30 EDEDLO C=CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559782 441543604 /nfs/dbraw/zinc/54/36/04/441543604.db2.gz PQKVAKBVGSVCQE-AWEZNQCLSA-N 1 2 340.401 1.649 20 30 EDEDLO C=CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066559782 441543608 /nfs/dbraw/zinc/54/36/08/441543608.db2.gz PQKVAKBVGSVCQE-AWEZNQCLSA-N 1 2 340.401 1.649 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000114465939 441660552 /nfs/dbraw/zinc/66/05/52/441660552.db2.gz DZSCUDLIKMIKGD-AWEZNQCLSA-N 1 2 333.436 1.085 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000041993335 441691853 /nfs/dbraw/zinc/69/18/53/441691853.db2.gz QNJNAZYUOOZNNP-SNVBAGLBSA-N 1 2 331.763 1.552 20 30 EDEDLO CN(Cc1ccccc1)C(=O)C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597691 441764267 /nfs/dbraw/zinc/76/42/67/441764267.db2.gz SEHPVTIFYVBXTN-SFHVURJKSA-N 1 2 336.395 1.333 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000115604651 441765691 /nfs/dbraw/zinc/76/56/91/441765691.db2.gz MJAIDLPISIKWLE-LSDHHAIUSA-N 1 2 340.431 1.902 20 30 EDEDLO C=CCNC(=O)NC(=O)CN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000159485783 441816319 /nfs/dbraw/zinc/81/63/19/441816319.db2.gz FHDFUZJJGFVMTG-CQSZACIVSA-N 1 2 348.422 1.516 20 30 EDEDLO C=CC[N@@H+](Cc1cccc(OCCOC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361093 441793764 /nfs/dbraw/zinc/79/37/64/441793764.db2.gz QVDAYTOXDVTCKZ-MRXNPFEDSA-N 1 2 339.457 1.887 20 30 EDEDLO C=CC[N@H+](Cc1cccc(OCCOC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361093 441793771 /nfs/dbraw/zinc/79/37/71/441793771.db2.gz QVDAYTOXDVTCKZ-MRXNPFEDSA-N 1 2 339.457 1.887 20 30 EDEDLO N#CCCCCS(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000068875063 441862875 /nfs/dbraw/zinc/86/28/75/441862875.db2.gz CMNYYWIZTBJTJK-UHFFFAOYSA-N 1 2 335.473 1.870 20 30 EDEDLO C=CCCOCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000144519107 441884266 /nfs/dbraw/zinc/88/42/66/441884266.db2.gz XZIJFOIQSYQFBG-UHFFFAOYSA-N 1 2 345.443 1.798 20 30 EDEDLO C=CCCS(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000120533031 442090238 /nfs/dbraw/zinc/09/02/38/442090238.db2.gz LVSYSEFLQUZVBG-KRWDZBQOSA-N 1 2 338.473 1.425 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000120557783 442093585 /nfs/dbraw/zinc/09/35/85/442093585.db2.gz SMXFSFKGUIIWDD-SJORKVTESA-N 1 2 343.475 1.768 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2[nH]ccc21 ZINC000079726841 442081082 /nfs/dbraw/zinc/08/10/82/442081082.db2.gz RDMMIEGBNHJPJQ-UHFFFAOYSA-N 1 2 326.400 1.856 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)cc(F)c2)CC1 ZINC000080061784 442111245 /nfs/dbraw/zinc/11/12/45/442111245.db2.gz AZKUBSHGGVDYIR-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)cc(F)c2)CC1 ZINC000080061784 442111250 /nfs/dbraw/zinc/11/12/50/442111250.db2.gz AZKUBSHGGVDYIR-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO Cc1noc(C)c1[C@H](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000151649020 442100587 /nfs/dbraw/zinc/10/05/87/442100587.db2.gz ONPGMPSBDANHRD-CQSZACIVSA-N 1 2 348.447 1.860 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000121018396 442165931 /nfs/dbraw/zinc/16/59/31/442165931.db2.gz QZRROLYWSIXCIA-LSDHHAIUSA-N 1 2 334.807 1.165 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000121018396 442165934 /nfs/dbraw/zinc/16/59/34/442165934.db2.gz QZRROLYWSIXCIA-LSDHHAIUSA-N 1 2 334.807 1.165 20 30 EDEDLO C=CC[N@@H+](C)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000121334697 442204546 /nfs/dbraw/zinc/20/45/46/442204546.db2.gz CHOQQWFIENXTMT-MRXNPFEDSA-N 1 2 329.400 1.976 20 30 EDEDLO C=CC[N@H+](C)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000121334697 442204550 /nfs/dbraw/zinc/20/45/50/442204550.db2.gz CHOQQWFIENXTMT-MRXNPFEDSA-N 1 2 329.400 1.976 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)C1CC1 ZINC000152189760 442178097 /nfs/dbraw/zinc/17/80/97/442178097.db2.gz DEBWMYZGMMWWIM-UGSOOPFHSA-N 1 2 342.447 1.670 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)C1CC1 ZINC000152189760 442178100 /nfs/dbraw/zinc/17/81/00/442178100.db2.gz DEBWMYZGMMWWIM-UGSOOPFHSA-N 1 2 342.447 1.670 20 30 EDEDLO C=CC[N@@H+](C)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000121334846 442204919 /nfs/dbraw/zinc/20/49/19/442204919.db2.gz CHOQQWFIENXTMT-INIZCTEOSA-N 1 2 329.400 1.976 20 30 EDEDLO C=CC[N@H+](C)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000121334846 442204922 /nfs/dbraw/zinc/20/49/22/442204922.db2.gz CHOQQWFIENXTMT-INIZCTEOSA-N 1 2 329.400 1.976 20 30 EDEDLO CCC(CC)[C@@H](CNS(=O)(=O)CC1(C#N)CC1)[NH+]1CCOCC1 ZINC000164493422 442197424 /nfs/dbraw/zinc/19/74/24/442197424.db2.gz RBRIOPARYASFNS-OAHLLOKOSA-N 1 2 343.493 1.347 20 30 EDEDLO Cc1cc[nH+]c(N2CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000166386303 442216690 /nfs/dbraw/zinc/21/66/90/442216690.db2.gz SRTPNMYYNIJGHQ-LPHOPBHVSA-N 1 2 343.475 1.955 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)cn1 ZINC000170658030 442243732 /nfs/dbraw/zinc/24/37/32/442243732.db2.gz VUHCYPKEDKNJNK-UHFFFAOYSA-N 1 2 327.369 1.122 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000153625054 442292956 /nfs/dbraw/zinc/29/29/56/442292956.db2.gz QDMSVSDJBPWIOK-OAHLLOKOSA-N 1 2 343.431 1.408 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000153625054 442292959 /nfs/dbraw/zinc/29/29/59/442292959.db2.gz QDMSVSDJBPWIOK-OAHLLOKOSA-N 1 2 343.431 1.408 20 30 EDEDLO C=CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000154528384 442344350 /nfs/dbraw/zinc/34/43/50/442344350.db2.gz IWXPDQVDALKWPR-CABCVRRESA-N 1 2 340.401 1.303 20 30 EDEDLO C=CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000154528384 442344354 /nfs/dbraw/zinc/34/43/54/442344354.db2.gz IWXPDQVDALKWPR-CABCVRRESA-N 1 2 340.401 1.303 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1C#N ZINC000156015402 442442638 /nfs/dbraw/zinc/44/26/38/442442638.db2.gz QECZPIYUEKEHAT-GFCCVEGCSA-N 1 2 348.472 1.819 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1C#N ZINC000156015402 442442642 /nfs/dbraw/zinc/44/26/42/442442642.db2.gz QECZPIYUEKEHAT-GFCCVEGCSA-N 1 2 348.472 1.819 20 30 EDEDLO CC(C)NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000172395143 442454568 /nfs/dbraw/zinc/45/45/68/442454568.db2.gz LMNZLCXNKSSYNB-AWEZNQCLSA-N 1 2 328.416 1.288 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186066938 442456803 /nfs/dbraw/zinc/45/68/03/442456803.db2.gz VCMHYCDKZXUDNR-VIFPVBQESA-N 1 2 335.326 1.230 20 30 EDEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc([S@@](C)=O)cc1 ZINC000178795612 442488177 /nfs/dbraw/zinc/48/81/77/442488177.db2.gz GEKIGVWNMHUFKF-XMMPIXPASA-N 1 2 346.456 1.512 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc([S@@](C)=O)cc1 ZINC000178795612 442488180 /nfs/dbraw/zinc/48/81/80/442488180.db2.gz GEKIGVWNMHUFKF-XMMPIXPASA-N 1 2 346.456 1.512 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000192133362 442600063 /nfs/dbraw/zinc/60/00/63/442600063.db2.gz ZFQOLIJOUQMVKJ-CQSZACIVSA-N 1 2 326.393 1.333 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000192133362 442600069 /nfs/dbraw/zinc/60/00/69/442600069.db2.gz ZFQOLIJOUQMVKJ-CQSZACIVSA-N 1 2 326.393 1.333 20 30 EDEDLO C#CC[N@@H+](CCC(=O)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000135184733 442565949 /nfs/dbraw/zinc/56/59/49/442565949.db2.gz SDHCMEFTQURXEP-INIZCTEOSA-N 1 2 334.441 1.162 20 30 EDEDLO C#CC[N@H+](CCC(=O)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000135184733 442565955 /nfs/dbraw/zinc/56/59/55/442565955.db2.gz SDHCMEFTQURXEP-INIZCTEOSA-N 1 2 334.441 1.162 20 30 EDEDLO CCCn1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 ZINC000180587501 442628860 /nfs/dbraw/zinc/62/88/60/442628860.db2.gz LNCXIPYQADALMP-AWEZNQCLSA-N 1 2 325.420 1.665 20 30 EDEDLO CCCn1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 ZINC000180587501 442628861 /nfs/dbraw/zinc/62/88/61/442628861.db2.gz LNCXIPYQADALMP-AWEZNQCLSA-N 1 2 325.420 1.665 20 30 EDEDLO C=C(C)[C@H]([NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)c1ccc(F)c(F)c1 ZINC000187792807 442692598 /nfs/dbraw/zinc/69/25/98/442692598.db2.gz MXKKHDWMJABCIE-ZBEGNZNMSA-N 1 2 339.386 1.765 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000193795403 442788393 /nfs/dbraw/zinc/78/83/93/442788393.db2.gz JJEFTNHHIYCTNL-GFCCVEGCSA-N 1 2 337.445 1.107 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000193795403 442788396 /nfs/dbraw/zinc/78/83/96/442788396.db2.gz JJEFTNHHIYCTNL-GFCCVEGCSA-N 1 2 337.445 1.107 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000265447904 442777262 /nfs/dbraw/zinc/77/72/62/442777262.db2.gz AEPOCTZNUZXKBE-OAHLLOKOSA-N 1 2 327.432 1.476 20 30 EDEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193773702 442784115 /nfs/dbraw/zinc/78/41/15/442784115.db2.gz UZKURFWCKQCXIC-NVXWUHKLSA-N 1 2 341.459 1.770 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265671956 442874056 /nfs/dbraw/zinc/87/40/56/442874056.db2.gz XTVWBHRYFKUYJL-QMTHXVAHSA-N 1 2 334.807 1.701 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265671956 442874059 /nfs/dbraw/zinc/87/40/59/442874059.db2.gz XTVWBHRYFKUYJL-QMTHXVAHSA-N 1 2 334.807 1.701 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000189528925 442973494 /nfs/dbraw/zinc/97/34/94/442973494.db2.gz TVPRFRPHUDVMIE-CYBMUJFWSA-N 1 2 345.472 1.812 20 30 EDEDLO C#CC[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268474391 443001670 /nfs/dbraw/zinc/00/16/70/443001670.db2.gz IXOXBBYOVUGZKC-UHFFFAOYSA-N 1 2 325.166 1.508 20 30 EDEDLO CCN1CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1=O ZINC000190178866 443066525 /nfs/dbraw/zinc/06/65/25/443066525.db2.gz CSAWTLWLNREJBX-KOHRHEQBSA-N 1 2 348.491 1.860 20 30 EDEDLO CCN1CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1=O ZINC000190178866 443066529 /nfs/dbraw/zinc/06/65/29/443066529.db2.gz CSAWTLWLNREJBX-KOHRHEQBSA-N 1 2 348.491 1.860 20 30 EDEDLO C#CCOc1ccccc1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000185150778 443148568 /nfs/dbraw/zinc/14/85/68/443148568.db2.gz BLBXUQDIGYOBSL-UHFFFAOYSA-N 1 2 340.383 1.382 20 30 EDEDLO C=CCN(Cc1[nH+]ccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 ZINC000190861381 443197955 /nfs/dbraw/zinc/19/79/55/443197955.db2.gz WVMGPCLYSYHTAU-LBPRGKRZSA-N 1 2 326.418 1.274 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000245811894 443250115 /nfs/dbraw/zinc/25/01/15/443250115.db2.gz ZKXNGERZDDYENG-IRXDYDNUSA-N 1 2 331.416 1.799 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000245811894 443250116 /nfs/dbraw/zinc/25/01/16/443250116.db2.gz ZKXNGERZDDYENG-IRXDYDNUSA-N 1 2 331.416 1.799 20 30 EDEDLO CC(C)(C)OC(=O)c1ccc(CO[NH+]=C(N)CN2CCOCC2)cc1 ZINC000269353951 443291327 /nfs/dbraw/zinc/29/13/27/443291327.db2.gz GYHJAEFRNCSNEK-UHFFFAOYSA-N 1 2 349.431 1.763 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000266856999 443269706 /nfs/dbraw/zinc/26/97/06/443269706.db2.gz HPAMBKQOHRNIMG-UKRRQHHQSA-N 1 2 339.317 1.663 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000266856999 443269708 /nfs/dbraw/zinc/26/97/08/443269708.db2.gz HPAMBKQOHRNIMG-UKRRQHHQSA-N 1 2 339.317 1.663 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267569154 443499856 /nfs/dbraw/zinc/49/98/56/443499856.db2.gz MXFYEQCHSXHUQX-UHFFFAOYSA-N 1 2 330.413 1.991 20 30 EDEDLO COC(=O)[C@@H]1CC12CC[NH+](CC(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000265006862 443507578 /nfs/dbraw/zinc/50/75/78/443507578.db2.gz FBNXMQSWKRQHQY-AWEZNQCLSA-N 1 2 345.399 1.982 20 30 EDEDLO N#C[C@@H]1CSCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000271737377 443512294 /nfs/dbraw/zinc/51/22/94/443512294.db2.gz OROAKFHQXKUSLW-GFCCVEGCSA-N 1 2 343.368 1.862 20 30 EDEDLO Cn1cc([C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)cn1 ZINC000267608261 443512896 /nfs/dbraw/zinc/51/28/96/443512896.db2.gz NELPVFKDHRPOFD-WMZOPIPTSA-N 1 2 342.399 1.105 20 30 EDEDLO Cn1cc([C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)cn1 ZINC000267608261 443512902 /nfs/dbraw/zinc/51/29/02/443512902.db2.gz NELPVFKDHRPOFD-WMZOPIPTSA-N 1 2 342.399 1.105 20 30 EDEDLO CC(C)n1nccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000280262232 443685168 /nfs/dbraw/zinc/68/51/68/443685168.db2.gz MNZQDSBCPNASGG-AWEZNQCLSA-N 1 2 325.420 1.836 20 30 EDEDLO CC(C)n1nccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000280262232 443685171 /nfs/dbraw/zinc/68/51/71/443685171.db2.gz MNZQDSBCPNASGG-AWEZNQCLSA-N 1 2 325.420 1.836 20 30 EDEDLO N#Cc1cc(N2CC[NH+](Cc3nc(N)c4ccccc4n3)CC2)ccn1 ZINC000283695406 443691779 /nfs/dbraw/zinc/69/17/79/443691779.db2.gz ZIQJVJAJYVEJLP-UHFFFAOYSA-N 1 2 345.410 1.801 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000286332361 443692603 /nfs/dbraw/zinc/69/26/03/443692603.db2.gz AMPUDHRDIDCHHH-HNNXBMFYSA-N 1 2 333.432 1.771 20 30 EDEDLO C=CCOc1ccc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000286726407 443722461 /nfs/dbraw/zinc/72/24/61/443722461.db2.gz CSCGYZDFXKHHMS-ROUUACIJSA-N 1 2 345.443 1.866 20 30 EDEDLO C=CCOc1ccc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000286726407 443722466 /nfs/dbraw/zinc/72/24/66/443722466.db2.gz CSCGYZDFXKHHMS-ROUUACIJSA-N 1 2 345.443 1.866 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)COc2ccc(C#N)cc2)CCN1C ZINC000276621998 443768730 /nfs/dbraw/zinc/76/87/30/443768730.db2.gz JXHYLUAGBHIEJH-INIZCTEOSA-N 1 2 339.399 1.186 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000280929156 443776859 /nfs/dbraw/zinc/77/68/59/443776859.db2.gz IGUXICSHZBBSEI-UXLLHSPISA-N 1 2 330.432 1.941 20 30 EDEDLO C=CCCCNC(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000284591258 443781191 /nfs/dbraw/zinc/78/11/91/443781191.db2.gz WCMZEHMHLPCTRM-CQSZACIVSA-N 1 2 346.431 1.005 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c(C#N)c1C ZINC000284990248 443811183 /nfs/dbraw/zinc/81/11/83/443811183.db2.gz YKXHIKNKBLEGBI-VBNZEHGJSA-N 1 2 346.431 1.500 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C#N)c1C ZINC000284990248 443811185 /nfs/dbraw/zinc/81/11/85/443811185.db2.gz YKXHIKNKBLEGBI-VBNZEHGJSA-N 1 2 346.431 1.500 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c(C#N)c1C ZINC000284990240 443811370 /nfs/dbraw/zinc/81/13/70/443811370.db2.gz YKXHIKNKBLEGBI-RCBQFDQVSA-N 1 2 346.431 1.500 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C#N)c1C ZINC000284990240 443811372 /nfs/dbraw/zinc/81/13/72/443811372.db2.gz YKXHIKNKBLEGBI-RCBQFDQVSA-N 1 2 346.431 1.500 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N2CCc3ccccc3C2)C1=O ZINC000281370107 443891861 /nfs/dbraw/zinc/89/18/61/443891861.db2.gz OJBCDTQNOMPXBR-QAPCUYQASA-N 1 2 341.455 1.679 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N2CCc3ccccc3C2)C1=O ZINC000281370107 443891866 /nfs/dbraw/zinc/89/18/66/443891866.db2.gz OJBCDTQNOMPXBR-QAPCUYQASA-N 1 2 341.455 1.679 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCc2cccc(Cl)c2)C1=O ZINC000281296348 443872358 /nfs/dbraw/zinc/87/23/58/443872358.db2.gz JOLXVODQCBYEST-OAHLLOKOSA-N 1 2 335.835 1.675 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccc(Cl)c2)C1=O ZINC000281296348 443872361 /nfs/dbraw/zinc/87/23/61/443872361.db2.gz JOLXVODQCBYEST-OAHLLOKOSA-N 1 2 335.835 1.675 20 30 EDEDLO C[C@@H](CNC(=O)c1ccn(-c2cccc(C#N)c2)n1)[NH+]1CCOCC1 ZINC000281309604 443876222 /nfs/dbraw/zinc/87/62/22/443876222.db2.gz RTICSHKBFHGKOY-AWEZNQCLSA-N 1 2 339.399 1.194 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000293146516 443937554 /nfs/dbraw/zinc/93/75/54/443937554.db2.gz RJSIPUZBFGVEPJ-UHFFFAOYSA-N 1 2 330.432 1.465 20 30 EDEDLO C#CCC(CC#C)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000288511081 443903752 /nfs/dbraw/zinc/90/37/52/443903752.db2.gz JUULMOLCKFPMEQ-MRXNPFEDSA-N 1 2 325.412 1.790 20 30 EDEDLO COc1ccc(CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C#N)cc1OC ZINC000299144832 443966125 /nfs/dbraw/zinc/96/61/25/443966125.db2.gz BPKPZHSFYPMCFY-ZIAGYGMSSA-N 1 2 333.432 1.842 20 30 EDEDLO COc1ccc(CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C#N)cc1OC ZINC000299144832 443966128 /nfs/dbraw/zinc/96/61/28/443966128.db2.gz BPKPZHSFYPMCFY-ZIAGYGMSSA-N 1 2 333.432 1.842 20 30 EDEDLO C=CCOc1c(Br)cc(C[N@H+](C)CC(N)=O)cc1OC ZINC000299223532 443987946 /nfs/dbraw/zinc/98/79/46/443987946.db2.gz AFXPHJVMRPZJKB-UHFFFAOYSA-N 1 2 343.221 1.940 20 30 EDEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CC(N)=O)cc1OC ZINC000299223532 443987951 /nfs/dbraw/zinc/98/79/51/443987951.db2.gz AFXPHJVMRPZJKB-UHFFFAOYSA-N 1 2 343.221 1.940 20 30 EDEDLO N#CCOc1ccc(CC(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000277851960 444053510 /nfs/dbraw/zinc/05/35/10/444053510.db2.gz JKBZACCHUJVCMB-UHFFFAOYSA-N 1 2 329.400 1.112 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)nc1 ZINC000552898242 320932589 /nfs/dbraw/zinc/93/25/89/320932589.db2.gz JBFSTXMQHZADNT-GDBMZVCRSA-N 1 2 337.383 1.392 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281855744 444024687 /nfs/dbraw/zinc/02/46/87/444024687.db2.gz NWCOLRNMLRZILB-XOKHGSTOSA-N 1 2 333.407 1.942 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281855744 444024689 /nfs/dbraw/zinc/02/46/89/444024689.db2.gz NWCOLRNMLRZILB-XOKHGSTOSA-N 1 2 333.407 1.942 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1cccc(OCC#N)c1 ZINC000285739508 444092109 /nfs/dbraw/zinc/09/21/09/444092109.db2.gz JIAYLQHZHCCPEE-NVXWUHKLSA-N 1 2 343.427 1.453 20 30 EDEDLO COc1cc(C[NH+]2CCN(c3ncc(F)cn3)CC2)ccc1C#N ZINC000282141873 444096600 /nfs/dbraw/zinc/09/66/00/444096600.db2.gz CEWIRMYTZBSOIO-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO N#Cc1csc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000570093955 321337741 /nfs/dbraw/zinc/33/77/41/321337741.db2.gz ZIJBJVPIFDGQMH-LLVKDONJSA-N 1 2 340.474 1.309 20 30 EDEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)n1 ZINC000570093955 321337743 /nfs/dbraw/zinc/33/77/43/321337743.db2.gz ZIJBJVPIFDGQMH-LLVKDONJSA-N 1 2 340.474 1.309 20 30 EDEDLO C#CCCOc1ccc(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000294769223 444141815 /nfs/dbraw/zinc/14/18/15/444141815.db2.gz YWQVIGSDKWNVGC-MRXNPFEDSA-N 1 2 329.444 1.454 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000282339714 444150941 /nfs/dbraw/zinc/15/09/41/444150941.db2.gz QZCLNURMUHZUNH-MGPQQGTHSA-N 1 2 325.438 1.245 20 30 EDEDLO Cc1cnn([C@@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)c1 ZINC000289863073 444212674 /nfs/dbraw/zinc/21/26/74/444212674.db2.gz LHVRQOHQGGUTNR-OAHLLOKOSA-N 1 2 345.428 1.179 20 30 EDEDLO Cc1cnn([C@@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)c1 ZINC000289863073 444212676 /nfs/dbraw/zinc/21/26/76/444212676.db2.gz LHVRQOHQGGUTNR-OAHLLOKOSA-N 1 2 345.428 1.179 20 30 EDEDLO Cc1ccc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)nc1C#N ZINC000302726056 444221767 /nfs/dbraw/zinc/22/17/67/444221767.db2.gz RZFARPIFBMOXSJ-GOSISDBHSA-N 1 2 335.411 1.610 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000301827735 444192246 /nfs/dbraw/zinc/19/22/46/444192246.db2.gz PWZJGUJNBHBTJK-UHFFFAOYSA-N 1 2 337.427 1.753 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000296016572 444199265 /nfs/dbraw/zinc/19/92/65/444199265.db2.gz YVHYRDXLFDJJCK-UHFFFAOYSA-N 1 2 345.447 1.174 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000296016572 444199266 /nfs/dbraw/zinc/19/92/66/444199266.db2.gz YVHYRDXLFDJJCK-UHFFFAOYSA-N 1 2 345.447 1.174 20 30 EDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000296618062 444243123 /nfs/dbraw/zinc/24/31/23/444243123.db2.gz GYFDAYAROGFTPW-JKSUJKDBSA-N 1 2 342.399 1.436 20 30 EDEDLO CN(C)C(=O)O[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000296618062 444243125 /nfs/dbraw/zinc/24/31/25/444243125.db2.gz GYFDAYAROGFTPW-JKSUJKDBSA-N 1 2 342.399 1.436 20 30 EDEDLO COC(=O)[C@@H]([NH+]1CCN(c2cc(C#N)ccn2)CC1)C1(OC)CCC1 ZINC000297587201 444304961 /nfs/dbraw/zinc/30/49/61/444304961.db2.gz DWNWWVQCGFRHAC-MRXNPFEDSA-N 1 2 344.415 1.186 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000577468772 321654416 /nfs/dbraw/zinc/65/44/16/321654416.db2.gz RYPDCUJIALGPGJ-GRGSLBFTSA-N 1 2 339.439 1.983 20 30 EDEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000297679075 444317730 /nfs/dbraw/zinc/31/77/30/444317730.db2.gz KYXAVSGZUBZDPG-UHFFFAOYSA-N 1 2 330.432 1.820 20 30 EDEDLO C[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1O ZINC000305761621 444278679 /nfs/dbraw/zinc/27/86/79/444278679.db2.gz LTHAPVFZUWGFKT-XJKSGUPXSA-N 1 2 339.399 1.385 20 30 EDEDLO C[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1O ZINC000305761621 444278681 /nfs/dbraw/zinc/27/86/81/444278681.db2.gz LTHAPVFZUWGFKT-XJKSGUPXSA-N 1 2 339.399 1.385 20 30 EDEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(O)(C(N)=O)CC1 ZINC000312244155 444294507 /nfs/dbraw/zinc/29/45/07/444294507.db2.gz DDMJEPVWIRASMS-UHFFFAOYSA-N 1 2 338.205 1.133 20 30 EDEDLO C[C@H](NC(=O)[C@@H]1CCc2[nH]nnc2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000328774150 444348682 /nfs/dbraw/zinc/34/86/82/444348682.db2.gz KFEURNSBJDLZPN-UONOGXRCSA-N 1 2 347.463 1.900 20 30 EDEDLO C[C@H](NC(=O)[C@@H]1CCc2nn[nH]c2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000328774150 444348686 /nfs/dbraw/zinc/34/86/86/444348686.db2.gz KFEURNSBJDLZPN-UONOGXRCSA-N 1 2 347.463 1.900 20 30 EDEDLO C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000328789985 444353819 /nfs/dbraw/zinc/35/38/19/444353819.db2.gz QDECABASQRGQPT-GDBMZVCRSA-N 1 2 336.480 1.227 20 30 EDEDLO CCc1nn(C)c(CC)c1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328855829 444376014 /nfs/dbraw/zinc/37/60/14/444376014.db2.gz CUXSSCPBGHNGCK-IRXDYDNUSA-N 1 2 349.479 1.364 20 30 EDEDLO CCc1nn(C)c(CC)c1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328855829 444376018 /nfs/dbraw/zinc/37/60/18/444376018.db2.gz CUXSSCPBGHNGCK-IRXDYDNUSA-N 1 2 349.479 1.364 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340196367 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XDWYJYSZGOWUOB-QRTARXTBSA-N 1 2 333.432 1.728 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C1=O ZINC000337087901 444937022 /nfs/dbraw/zinc/93/70/22/444937022.db2.gz GPADXCUGABEZNV-IRXDYDNUSA-N 1 2 327.428 1.506 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C1=O ZINC000337087901 444937025 /nfs/dbraw/zinc/93/70/25/444937025.db2.gz GPADXCUGABEZNV-IRXDYDNUSA-N 1 2 327.428 1.506 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000339016222 444987529 /nfs/dbraw/zinc/98/75/29/444987529.db2.gz HUEJCHDAXYEPOH-UHFFFAOYSA-N 1 2 326.360 1.522 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(F)cc2)C1=O ZINC000337236703 444998315 /nfs/dbraw/zinc/99/83/15/444998315.db2.gz YECDZIPEOZWUIW-CJNGLKHVSA-N 1 2 333.407 1.722 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(F)cc2)C1=O ZINC000337236703 444998321 /nfs/dbraw/zinc/99/83/21/444998321.db2.gz YECDZIPEOZWUIW-CJNGLKHVSA-N 1 2 333.407 1.722 20 30 EDEDLO N#CC1(CCC[N@H+]2CCN(CC(F)(F)F)C(=O)C2)CCOCC1 ZINC000330614194 445061372 /nfs/dbraw/zinc/06/13/72/445061372.db2.gz SRCFTUNWQKWRGX-UHFFFAOYSA-N 1 2 333.354 1.793 20 30 EDEDLO N#CC1(CCC[N@@H+]2CCN(CC(F)(F)F)C(=O)C2)CCOCC1 ZINC000330614194 445061374 /nfs/dbraw/zinc/06/13/74/445061374.db2.gz SRCFTUNWQKWRGX-UHFFFAOYSA-N 1 2 333.354 1.793 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)OCC ZINC000339210835 445089797 /nfs/dbraw/zinc/08/97/97/445089797.db2.gz UBLWFUGJYGIGPP-DOTOQJQBSA-N 1 2 342.505 1.682 20 30 EDEDLO CC[C@H](C)CN(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330727633 445114397 /nfs/dbraw/zinc/11/43/97/445114397.db2.gz GLKNXOFGCXRXEG-AWEZNQCLSA-N 1 2 347.463 1.993 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000339858927 445175287 /nfs/dbraw/zinc/17/52/87/445175287.db2.gz HTYGPCZQSCTOBH-CQSZACIVSA-N 1 2 330.363 1.409 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CSCc1cccnc1 ZINC000346536373 445217943 /nfs/dbraw/zinc/21/79/43/445217943.db2.gz 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CN(C(=O)C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000362534044 445427108 /nfs/dbraw/zinc/42/71/08/445427108.db2.gz GWSXSPNGZMOLMX-QGZVFWFLSA-N 1 2 328.416 1.465 20 30 EDEDLO CCS(=O)(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)[C@H](C)C1 ZINC000349001115 445471438 /nfs/dbraw/zinc/47/14/38/445471438.db2.gz GRGOAFZHTIORBQ-CYBMUJFWSA-N 1 2 347.444 1.062 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352463335 445530735 /nfs/dbraw/zinc/53/07/35/445530735.db2.gz JHZLTHGUWXFQHX-CYBMUJFWSA-N 1 2 339.411 1.504 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)cc1 ZINC000352792293 445554833 /nfs/dbraw/zinc/55/48/33/445554833.db2.gz LSANSUCJZAOXBM-IAGOWNOFSA-N 1 2 347.415 1.023 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)cc1 ZINC000352792293 445554836 /nfs/dbraw/zinc/55/48/36/445554836.db2.gz LSANSUCJZAOXBM-IAGOWNOFSA-N 1 2 347.415 1.023 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352902756 445564417 /nfs/dbraw/zinc/56/44/17/445564417.db2.gz NQCYJUOMUFJUSQ-UHFFFAOYSA-N 1 2 333.436 1.854 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352902756 445564429 /nfs/dbraw/zinc/56/44/29/445564429.db2.gz NQCYJUOMUFJUSQ-UHFFFAOYSA-N 1 2 333.436 1.854 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000349512194 445601789 /nfs/dbraw/zinc/60/17/89/445601789.db2.gz XAUKKUNJEZEZKT-YOEHRIQHSA-N 1 2 326.400 1.077 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000349512194 445601792 /nfs/dbraw/zinc/60/17/92/445601792.db2.gz XAUKKUNJEZEZKT-YOEHRIQHSA-N 1 2 326.400 1.077 20 30 EDEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000358170920 445609605 /nfs/dbraw/zinc/60/96/05/445609605.db2.gz RAJVBJNIOKZXKP-MRXNPFEDSA-N 1 2 337.464 1.028 20 30 EDEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000358170920 445609610 /nfs/dbraw/zinc/60/96/10/445609610.db2.gz RAJVBJNIOKZXKP-MRXNPFEDSA-N 1 2 337.464 1.028 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](CCOCC(F)(F)F)CC2)c1C#N ZINC000349880962 445709695 /nfs/dbraw/zinc/70/96/95/445709695.db2.gz KYNQWXZZIYMRCU-UHFFFAOYSA-N 1 2 331.342 1.301 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(S(=O)(=O)c1ccc(C#N)cc1C)C2 ZINC000363331930 445769073 /nfs/dbraw/zinc/76/90/73/445769073.db2.gz NLYFELUGSAIGMW-UHFFFAOYSA-N 1 2 330.413 1.885 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1C ZINC000363382140 445782310 /nfs/dbraw/zinc/78/23/10/445782310.db2.gz PYVBKZXSORKMFX-INIZCTEOSA-N 1 2 344.459 1.963 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1C ZINC000363382140 445782316 /nfs/dbraw/zinc/78/23/16/445782316.db2.gz PYVBKZXSORKMFX-INIZCTEOSA-N 1 2 344.459 1.963 20 30 EDEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000350891928 445938638 /nfs/dbraw/zinc/93/86/38/445938638.db2.gz BSQRNFIJTSREGN-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000350891928 445938644 /nfs/dbraw/zinc/93/86/44/445938644.db2.gz BSQRNFIJTSREGN-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO N#Cc1ccc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)nc1 ZINC000354090112 445896299 /nfs/dbraw/zinc/89/62/99/445896299.db2.gz HZTAKVOBXFMDQM-UHFFFAOYSA-N 1 2 341.459 2.090 20 30 EDEDLO C=CCN1CC[C@@H]([NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)C1=O ZINC000369147481 445954240 /nfs/dbraw/zinc/95/42/40/445954240.db2.gz JWOMCODFVKKARK-WDEREUQCSA-N 1 2 343.353 1.279 20 30 EDEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000350947277 445955634 /nfs/dbraw/zinc/95/56/34/445955634.db2.gz ZMIAHTOHQHRFBZ-RYUDHWBXSA-N 1 2 325.409 1.552 20 30 EDEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000350947277 445955637 /nfs/dbraw/zinc/95/56/37/445955637.db2.gz ZMIAHTOHQHRFBZ-RYUDHWBXSA-N 1 2 325.409 1.552 20 30 EDEDLO CN1CC[C@H]([N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000364983347 445973800 /nfs/dbraw/zinc/97/38/00/445973800.db2.gz GUJZEHGBALPPEP-HOTGVXAUSA-N 1 2 326.400 1.216 20 30 EDEDLO CN1CC[C@H]([N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000364983347 445973805 /nfs/dbraw/zinc/97/38/05/445973805.db2.gz GUJZEHGBALPPEP-HOTGVXAUSA-N 1 2 326.400 1.216 20 30 EDEDLO CCCN1C(=O)CC[C@H](C(=O)N[C@H](C#N)C(C)C)[C@H]1c1c[nH+]cn1C ZINC000361881535 446037097 /nfs/dbraw/zinc/03/70/97/446037097.db2.gz VESSXSNVKCRTCB-VBQJREDUSA-N 1 2 345.447 1.774 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000369275471 446039869 /nfs/dbraw/zinc/03/98/69/446039869.db2.gz XVJWEHZOXWIWQO-KRWDZBQOSA-N 1 2 340.427 1.974 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000369275471 446039875 /nfs/dbraw/zinc/03/98/75/446039875.db2.gz XVJWEHZOXWIWQO-KRWDZBQOSA-N 1 2 340.427 1.974 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)C1CC1 ZINC000369274340 446040983 /nfs/dbraw/zinc/04/09/83/446040983.db2.gz OHGSFJHVPLSWRD-YJBOKZPZSA-N 1 2 332.448 1.272 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)C1CC1 ZINC000369274340 446040988 /nfs/dbraw/zinc/04/09/88/446040988.db2.gz OHGSFJHVPLSWRD-YJBOKZPZSA-N 1 2 332.448 1.272 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000365241159 446095685 /nfs/dbraw/zinc/09/56/85/446095685.db2.gz LCCGWVCOZISGBZ-AUUYWEPGSA-N 1 2 331.379 1.742 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1C#N ZINC000365241159 446095689 /nfs/dbraw/zinc/09/56/89/446095689.db2.gz LCCGWVCOZISGBZ-AUUYWEPGSA-N 1 2 331.379 1.742 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366337033 446161058 /nfs/dbraw/zinc/16/10/58/446161058.db2.gz ZFJQFZHFACLURX-OLZOCXBDSA-N 1 2 348.200 1.415 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366337033 446161062 /nfs/dbraw/zinc/16/10/62/446161062.db2.gz ZFJQFZHFACLURX-OLZOCXBDSA-N 1 2 348.200 1.415 20 30 EDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000359549363 446286477 /nfs/dbraw/zinc/28/64/77/446286477.db2.gz ISHZHXBOQFGSIG-UHFFFAOYSA-N 1 2 343.350 2.347 20 30 EDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(C(=O)C(C)(C)C#N)CCO1 ZINC000365766359 446335259 /nfs/dbraw/zinc/33/52/59/446335259.db2.gz OOTUCNIFLWIDHE-ZDUSSCGKSA-N 1 2 339.436 1.037 20 30 EDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(C(=O)C(C)(C)C#N)CCO1 ZINC000365766359 446335261 /nfs/dbraw/zinc/33/52/61/446335261.db2.gz OOTUCNIFLWIDHE-ZDUSSCGKSA-N 1 2 339.436 1.037 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1=O ZINC000366849415 446381254 /nfs/dbraw/zinc/38/12/54/446381254.db2.gz QUDXOKSBLILXQF-KGLIPLIRSA-N 1 2 331.420 1.189 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000411138946 446408783 /nfs/dbraw/zinc/40/87/83/446408783.db2.gz XBNLNCCPMGOCAC-ZBFHGGJFSA-N 1 2 336.457 1.366 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000411138946 446408788 /nfs/dbraw/zinc/40/87/88/446408788.db2.gz XBNLNCCPMGOCAC-ZBFHGGJFSA-N 1 2 336.457 1.366 20 30 EDEDLO CCCCCCCC(=O)N1CCO[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000370767409 446425430 /nfs/dbraw/zinc/42/54/30/446425430.db2.gz NVOBHAVRAVMURP-KRWDZBQOSA-N 1 2 325.497 1.822 20 30 EDEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000411385750 446511421 /nfs/dbraw/zinc/51/14/21/446511421.db2.gz IZLAMJXVRHEKGH-ZIAGYGMSSA-N 1 2 327.384 1.676 20 30 EDEDLO C[C@H](CCC#N)[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000411385750 446511427 /nfs/dbraw/zinc/51/14/27/446511427.db2.gz IZLAMJXVRHEKGH-ZIAGYGMSSA-N 1 2 327.384 1.676 20 30 EDEDLO N#Cc1cccc(-n2ccc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)n2)c1 ZINC000376750160 446695258 /nfs/dbraw/zinc/69/52/58/446695258.db2.gz JYUCZECUIPJXDM-CYBMUJFWSA-N 1 2 332.367 1.754 20 30 EDEDLO N#Cc1cccc(-n2ccc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)n2)c1 ZINC000376750160 446695262 /nfs/dbraw/zinc/69/52/62/446695262.db2.gz JYUCZECUIPJXDM-CYBMUJFWSA-N 1 2 332.367 1.754 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000368402656 446839915 /nfs/dbraw/zinc/83/99/15/446839915.db2.gz MTGBTFGWQARMSS-FUHWJXTLSA-N 1 2 339.480 1.912 20 30 EDEDLO C=CCCn1cc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)nn1 ZINC000424828187 446945250 /nfs/dbraw/zinc/94/52/50/446945250.db2.gz GTIQGNFGCSCZEV-UHFFFAOYSA-N 1 2 326.404 1.520 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000454737788 446959570 /nfs/dbraw/zinc/95/95/70/446959570.db2.gz LVQODBIIVBITDV-HNNXBMFYSA-N 1 2 329.444 1.964 20 30 EDEDLO CC(=O)N[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000420985018 446962298 /nfs/dbraw/zinc/96/22/98/446962298.db2.gz KGUJSDQXHFYXTE-HNNXBMFYSA-N 1 2 348.834 1.797 20 30 EDEDLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000420985018 446962305 /nfs/dbraw/zinc/96/23/05/446962305.db2.gz KGUJSDQXHFYXTE-HNNXBMFYSA-N 1 2 348.834 1.797 20 30 EDEDLO COCC[NH+]1CCN(C(=O)[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000368590854 446964281 /nfs/dbraw/zinc/96/42/81/446964281.db2.gz LEEIRZSOSOAKFY-LJQANCHMSA-N 1 2 327.428 1.476 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000413112860 447010790 /nfs/dbraw/zinc/01/07/90/447010790.db2.gz RHUCWOPNVJZIIJ-UHFFFAOYSA-N 1 2 346.387 1.850 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000413112860 447010791 /nfs/dbraw/zinc/01/07/91/447010791.db2.gz RHUCWOPNVJZIIJ-UHFFFAOYSA-N 1 2 346.387 1.850 20 30 EDEDLO Cc1cc(C#N)cc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)n1 ZINC000377180109 446974582 /nfs/dbraw/zinc/97/45/82/446974582.db2.gz QRPHOXUWLZCNAC-HOCLYGCPSA-N 1 2 328.395 2.020 20 30 EDEDLO Cc1cc(C#N)cc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)n1 ZINC000377180109 446974589 /nfs/dbraw/zinc/97/45/89/446974589.db2.gz QRPHOXUWLZCNAC-HOCLYGCPSA-N 1 2 328.395 2.020 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cc(C3(C)CC3)[nH]n2)CC1 ZINC000372281606 447034506 /nfs/dbraw/zinc/03/45/06/447034506.db2.gz JCVTWGCWTTZUMQ-CQSZACIVSA-N 1 2 344.463 1.344 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)COC3CCOCC3)CCO2)c1 ZINC000372344907 447042155 /nfs/dbraw/zinc/04/21/55/447042155.db2.gz IOKOVYCWOHOEKA-IEBWSBKVSA-N 1 2 346.427 1.488 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)COC3CCOCC3)CCO2)c1 ZINC000372344907 447042166 /nfs/dbraw/zinc/04/21/66/447042166.db2.gz IOKOVYCWOHOEKA-IEBWSBKVSA-N 1 2 346.427 1.488 20 30 EDEDLO CCOC(=O)N1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000368831342 447143866 /nfs/dbraw/zinc/14/38/66/447143866.db2.gz WMMNGAHDNNBKQO-UHFFFAOYSA-N 1 2 344.415 1.339 20 30 EDEDLO CCOC(=O)N1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000368831342 447143868 /nfs/dbraw/zinc/14/38/68/447143868.db2.gz WMMNGAHDNNBKQO-UHFFFAOYSA-N 1 2 344.415 1.339 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000444720519 447128944 /nfs/dbraw/zinc/12/89/44/447128944.db2.gz PJAFEXZKRMYPPR-MJBXVCDLSA-N 1 2 341.333 1.720 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000444720519 447128952 /nfs/dbraw/zinc/12/89/52/447128952.db2.gz PJAFEXZKRMYPPR-MJBXVCDLSA-N 1 2 341.333 1.720 20 30 EDEDLO Cc1c(Br)cccc1CO[NH+]=C(N)CN1CCOCC1 ZINC000090191356 533710255 /nfs/dbraw/zinc/71/02/55/533710255.db2.gz PDRBZXLENVAIRT-UHFFFAOYSA-N 1 2 342.237 1.879 20 30 EDEDLO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(c2nccc(C)c2C#N)C[C@H]1O ZINC000372593346 447169358 /nfs/dbraw/zinc/16/93/58/447169358.db2.gz SCKIGGYKFCCPJJ-HUUCEWRRSA-N 1 2 342.403 1.025 20 30 EDEDLO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(c2nccc(C)c2C#N)C[C@H]1O ZINC000372593346 447169363 /nfs/dbraw/zinc/16/93/63/447169363.db2.gz SCKIGGYKFCCPJJ-HUUCEWRRSA-N 1 2 342.403 1.025 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000447681723 447287783 /nfs/dbraw/zinc/28/77/83/447287783.db2.gz QWSXQTMGHLXQSG-ZDUSSCGKSA-N 1 2 331.416 1.450 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000447681723 447287792 /nfs/dbraw/zinc/28/77/92/447287792.db2.gz QWSXQTMGHLXQSG-ZDUSSCGKSA-N 1 2 331.416 1.450 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CN1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000414155046 447278070 /nfs/dbraw/zinc/27/80/70/447278070.db2.gz UWJYLEKHUNTSRE-QGZVFWFLSA-N 1 2 340.431 1.008 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000414155046 447278077 /nfs/dbraw/zinc/27/80/77/447278077.db2.gz UWJYLEKHUNTSRE-QGZVFWFLSA-N 1 2 340.431 1.008 20 30 EDEDLO C=CCC[C@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000419917538 447489168 /nfs/dbraw/zinc/48/91/68/447489168.db2.gz BIIIIPVSUFLICI-QGZVFWFLSA-N 1 2 343.427 1.905 20 30 EDEDLO C=C(C)CCNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000458995507 447532652 /nfs/dbraw/zinc/53/26/52/447532652.db2.gz GZXGCXWJZDJYGW-HOTGVXAUSA-N 1 2 337.443 1.940 20 30 EDEDLO C=C(C)CCNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000458995507 447532657 /nfs/dbraw/zinc/53/26/57/447532657.db2.gz GZXGCXWJZDJYGW-HOTGVXAUSA-N 1 2 337.443 1.940 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000394449163 447537399 /nfs/dbraw/zinc/53/73/99/447537399.db2.gz XMFLEVVCMSAVLJ-MAUKXSAKSA-N 1 2 342.443 1.682 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000422546192 447632675 /nfs/dbraw/zinc/63/26/75/447632675.db2.gz UEMIVSVKWZNTHT-KRWDZBQOSA-N 1 2 329.444 1.454 20 30 EDEDLO COC(=O)c1csc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000451053972 447662104 /nfs/dbraw/zinc/66/21/04/447662104.db2.gz GQZBORFPHCKFKX-GFCCVEGCSA-N 1 2 344.396 1.850 20 30 EDEDLO COC(=O)c1csc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000451053972 447662111 /nfs/dbraw/zinc/66/21/11/447662111.db2.gz GQZBORFPHCKFKX-GFCCVEGCSA-N 1 2 344.396 1.850 20 30 EDEDLO COC(=O)c1cccnc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000459494944 447687244 /nfs/dbraw/zinc/68/72/44/447687244.db2.gz SOVZAWQRNRULMJ-CQSZACIVSA-N 1 2 338.367 1.788 20 30 EDEDLO COC(=O)c1cccnc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000459494944 447687247 /nfs/dbraw/zinc/68/72/47/447687247.db2.gz SOVZAWQRNRULMJ-CQSZACIVSA-N 1 2 338.367 1.788 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428701412 447714766 /nfs/dbraw/zinc/71/47/66/447714766.db2.gz RSEOITVQZYNPKI-CQSZACIVSA-N 1 2 341.477 1.038 20 30 EDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000451400579 447728387 /nfs/dbraw/zinc/72/83/87/447728387.db2.gz BAUOOGLJZNSRPM-NWGLXNPWSA-N 1 2 325.412 1.648 20 30 EDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000451400579 447728391 /nfs/dbraw/zinc/72/83/91/447728391.db2.gz BAUOOGLJZNSRPM-NWGLXNPWSA-N 1 2 325.412 1.648 20 30 EDEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000429236236 447736791 /nfs/dbraw/zinc/73/67/91/447736791.db2.gz LSEUYQBEOALBOW-AWEZNQCLSA-N 1 2 330.407 1.899 20 30 EDEDLO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000429236236 447736793 /nfs/dbraw/zinc/73/67/93/447736793.db2.gz LSEUYQBEOALBOW-AWEZNQCLSA-N 1 2 330.407 1.899 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429357368 447742650 /nfs/dbraw/zinc/74/26/50/447742650.db2.gz YMCVUXBCZFYMKB-GASCZTMLSA-N 1 2 336.480 1.716 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429357368 447742654 /nfs/dbraw/zinc/74/26/54/447742654.db2.gz YMCVUXBCZFYMKB-GASCZTMLSA-N 1 2 336.480 1.716 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CCC(C)C)n2C[C@@H]2CCOC2)CC1 ZINC000491165022 447945282 /nfs/dbraw/zinc/94/52/82/447945282.db2.gz HUOUFVSARTXMEV-KRWDZBQOSA-N 1 2 345.491 1.658 20 30 EDEDLO C#CCNc1nc(N2CCC[C@@H](F)C2)nc(N2CCC[C@@H](F)C2)[nH+]1 ZINC000491438213 448028704 /nfs/dbraw/zinc/02/87/04/448028704.db2.gz AORPUFYTICHOFN-CHWSQXEVSA-N 1 2 336.390 1.215 20 30 EDEDLO C#CCNc1nc(N2CCC[C@@H](F)C2)[nH+]c(N2CCC[C@@H](F)C2)n1 ZINC000491438213 448028707 /nfs/dbraw/zinc/02/87/07/448028707.db2.gz AORPUFYTICHOFN-CHWSQXEVSA-N 1 2 336.390 1.215 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cnccc2-c2ccccc2)CC1 ZINC000491569207 448060135 /nfs/dbraw/zinc/06/01/35/448060135.db2.gz VGFFGUDWKWENCW-UHFFFAOYSA-N 1 2 335.407 1.905 20 30 EDEDLO CC(=O)N1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC12CCCCC2 ZINC000526058151 448090156 /nfs/dbraw/zinc/09/01/56/448090156.db2.gz CUSDDABBLPMLLE-HNNXBMFYSA-N 1 2 346.475 1.804 20 30 EDEDLO CC(=O)N1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC12CCCCC2 ZINC000526058151 448090160 /nfs/dbraw/zinc/09/01/60/448090160.db2.gz CUSDDABBLPMLLE-HNNXBMFYSA-N 1 2 346.475 1.804 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2)OC(=O)C[C@H]3C)CC1 ZINC000491620391 448068132 /nfs/dbraw/zinc/06/81/32/448068132.db2.gz FLZQTYKVEGLMGQ-CQSZACIVSA-N 1 2 342.395 1.255 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000531588152 448111433 /nfs/dbraw/zinc/11/14/33/448111433.db2.gz JAECHZHJZVSXLO-CYBMUJFWSA-N 1 2 346.353 1.686 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000531588152 448111437 /nfs/dbraw/zinc/11/14/37/448111437.db2.gz JAECHZHJZVSXLO-CYBMUJFWSA-N 1 2 346.353 1.686 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C1CC1 ZINC000491766284 448112483 /nfs/dbraw/zinc/11/24/83/448112483.db2.gz FFGWUAHCTMHVRM-UHFFFAOYSA-N 1 2 345.487 1.725 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C1CC1 ZINC000491766284 448112485 /nfs/dbraw/zinc/11/24/85/448112485.db2.gz FFGWUAHCTMHVRM-UHFFFAOYSA-N 1 2 345.487 1.725 20 30 EDEDLO CCOc1cccc2c1OCC(C(=O)N[C@](C)(C#N)C[NH+](C)C)=C2 ZINC000576759135 448134345 /nfs/dbraw/zinc/13/43/45/448134345.db2.gz SSRKGHICSZRDKI-GOSISDBHSA-N 1 2 329.400 1.821 20 30 EDEDLO N#Cc1cccc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC000571402517 448146897 /nfs/dbraw/zinc/14/68/97/448146897.db2.gz XCZFJDJXBJXXKE-UHFFFAOYSA-N 1 2 338.371 1.507 20 30 EDEDLO C#Cc1cccc(N(CC(=O)NC)C(=O)/C=C/c2[nH+]ccn2CC)c1 ZINC000492488825 448224075 /nfs/dbraw/zinc/22/40/75/448224075.db2.gz KQOVDBIUWRTBGC-MDZDMXLPSA-N 1 2 336.395 1.677 20 30 EDEDLO N#CCC(=O)N1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000563899289 448318222 /nfs/dbraw/zinc/31/82/22/448318222.db2.gz ZEXVSDBVHCOBKS-UHFFFAOYSA-N 1 2 325.328 1.705 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCOc1ccc2c(c1)OCO2 ZINC000572291482 448337570 /nfs/dbraw/zinc/33/75/70/448337570.db2.gz OTSUNVADDIPXKU-QGZVFWFLSA-N 1 2 333.388 1.534 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)nc1N ZINC000582976378 448395729 /nfs/dbraw/zinc/39/57/29/448395729.db2.gz XAJCIEFFSRYRIH-UHFFFAOYSA-N 1 2 333.399 1.734 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000584354113 448496558 /nfs/dbraw/zinc/49/65/58/448496558.db2.gz CDQXFMYVQQIWEX-AWEZNQCLSA-N 1 2 339.321 1.927 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000566596474 448513976 /nfs/dbraw/zinc/51/39/76/448513976.db2.gz VLPZLTLZWIDDHN-INIZCTEOSA-N 1 2 337.807 1.614 20 30 EDEDLO N#CC[C@@]1(O)CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000591928607 448586113 /nfs/dbraw/zinc/58/61/13/448586113.db2.gz RWNWZZPTELGMJX-QGZVFWFLSA-N 1 2 325.372 1.432 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592067495 448657765 /nfs/dbraw/zinc/65/77/65/448657765.db2.gz WTJHMCPLPFIAGS-HNNXBMFYSA-N 1 2 341.459 1.518 20 30 EDEDLO COc1ccc(C(=O)NCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000578873439 448659146 /nfs/dbraw/zinc/65/91/46/448659146.db2.gz UNDPNXKQBWXNCI-SFHVURJKSA-N 1 2 346.431 1.165 20 30 EDEDLO C[C@H](C#N)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000541018634 448664818 /nfs/dbraw/zinc/66/48/18/448664818.db2.gz GAJYYMRPBSTHFK-KGLIPLIRSA-N 1 2 335.477 1.495 20 30 EDEDLO Cc1cccc2[nH+]c(CCNS(=O)(=O)CC3(CC#N)CC3)cn21 ZINC000592120926 448695339 /nfs/dbraw/zinc/69/53/39/448695339.db2.gz KSMHYCABAUQHSP-UHFFFAOYSA-N 1 2 332.429 1.799 20 30 EDEDLO CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592148844 448709357 /nfs/dbraw/zinc/70/93/57/448709357.db2.gz CZCFTJQKSVEOEU-GOSISDBHSA-N 1 2 331.416 1.442 20 30 EDEDLO CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592148844 448709360 /nfs/dbraw/zinc/70/93/60/448709360.db2.gz CZCFTJQKSVEOEU-GOSISDBHSA-N 1 2 331.416 1.442 20 30 EDEDLO C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592150938 448712314 /nfs/dbraw/zinc/71/23/14/448712314.db2.gz KALNEOZYUOVOSM-LPHOPBHVSA-N 1 2 345.443 1.621 20 30 EDEDLO C[C@H](OCCCNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592150938 448712319 /nfs/dbraw/zinc/71/23/19/448712319.db2.gz KALNEOZYUOVOSM-LPHOPBHVSA-N 1 2 345.443 1.621 20 30 EDEDLO COCc1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1C#N ZINC000529214386 448792170 /nfs/dbraw/zinc/79/21/70/448792170.db2.gz UKFCZQOKABBXNZ-UHFFFAOYSA-N 1 2 346.431 1.937 20 30 EDEDLO COCc1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1C#N ZINC000529214386 448792176 /nfs/dbraw/zinc/79/21/76/448792176.db2.gz UKFCZQOKABBXNZ-UHFFFAOYSA-N 1 2 346.431 1.937 20 30 EDEDLO C=CCSCCNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000586812548 448816966 /nfs/dbraw/zinc/81/69/66/448816966.db2.gz KPAMNFUPTNJPAI-HNNXBMFYSA-N 1 2 333.457 1.325 20 30 EDEDLO C=CCSCCNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000586812548 448816970 /nfs/dbraw/zinc/81/69/70/448816970.db2.gz KPAMNFUPTNJPAI-HNNXBMFYSA-N 1 2 333.457 1.325 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CNc1ccc(C#N)cc1 ZINC000587971388 448847885 /nfs/dbraw/zinc/84/78/85/448847885.db2.gz ISJRTKHPRYOLAT-RHSMWYFYSA-N 1 2 328.416 1.292 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000519828365 448854567 /nfs/dbraw/zinc/85/45/67/448854567.db2.gz UHUKVKPVDKRSTP-CQSZACIVSA-N 1 2 337.401 1.866 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000519828365 448854571 /nfs/dbraw/zinc/85/45/71/448854571.db2.gz UHUKVKPVDKRSTP-CQSZACIVSA-N 1 2 337.401 1.866 20 30 EDEDLO C[C@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1nc(-c2cccc(F)c2)no1 ZINC000521227285 448965055 /nfs/dbraw/zinc/96/50/55/448965055.db2.gz CDYAZHLONPNHTE-SWLSCSKDSA-N 1 2 347.394 1.733 20 30 EDEDLO C[C@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1nc(-c2cccc(F)c2)no1 ZINC000521227285 448965068 /nfs/dbraw/zinc/96/50/68/448965068.db2.gz CDYAZHLONPNHTE-SWLSCSKDSA-N 1 2 347.394 1.733 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000569181168 448973007 /nfs/dbraw/zinc/97/30/07/448973007.db2.gz ASHQJEUDPRAUTK-OAHLLOKOSA-N 1 2 340.431 1.083 20 30 EDEDLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000589513070 449028564 /nfs/dbraw/zinc/02/85/64/449028564.db2.gz VVTYWNGLYDXZOH-HNNXBMFYSA-N 1 2 345.428 1.186 20 30 EDEDLO CN(C)C(=O)C[NH+]1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000589797575 449062835 /nfs/dbraw/zinc/06/28/35/449062835.db2.gz PMFMTDSEHZRPKR-UHFFFAOYSA-N 1 2 327.432 1.042 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000595628546 449089737 /nfs/dbraw/zinc/08/97/37/449089737.db2.gz IXCLVQKEGTYPBB-TUAOUCFPSA-N 1 2 349.353 1.420 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000595628546 449089743 /nfs/dbraw/zinc/08/97/43/449089743.db2.gz IXCLVQKEGTYPBB-TUAOUCFPSA-N 1 2 349.353 1.420 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)CNc1ccc(C#N)cc1)C(C)(C)CO ZINC000597846967 449121195 /nfs/dbraw/zinc/12/11/95/449121195.db2.gz MLJXPIGXLVHQLD-INIZCTEOSA-N 1 2 341.415 1.580 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1C ZINC000611083724 449161996 /nfs/dbraw/zinc/16/19/96/449161996.db2.gz ZWFPSVYBOQSTHE-SNVBAGLBSA-N 1 2 329.372 1.551 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1C ZINC000611083724 449161999 /nfs/dbraw/zinc/16/19/99/449161999.db2.gz ZWFPSVYBOQSTHE-SNVBAGLBSA-N 1 2 329.372 1.551 20 30 EDEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1 ZINC000593728761 449162924 /nfs/dbraw/zinc/16/29/24/449162924.db2.gz CWBFPSLUQUXLTK-MRXNPFEDSA-N 1 2 339.436 1.810 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1[nH+]ccn1C ZINC000595845436 449201798 /nfs/dbraw/zinc/20/17/98/449201798.db2.gz OALRRKQDNRZGEX-GXTWGEPZSA-N 1 2 340.387 1.611 20 30 EDEDLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842402 449202213 /nfs/dbraw/zinc/20/22/13/449202213.db2.gz ZQMIDHVPHIGCBV-GLJUWKHASA-N 1 2 329.400 1.567 20 30 EDEDLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842402 449202217 /nfs/dbraw/zinc/20/22/17/449202217.db2.gz ZQMIDHVPHIGCBV-GLJUWKHASA-N 1 2 329.400 1.567 20 30 EDEDLO N#Cc1cc(O)cc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000601888656 449206953 /nfs/dbraw/zinc/20/69/53/449206953.db2.gz SQXSRYMWMNHWNY-UHFFFAOYSA-N 1 2 337.383 1.054 20 30 EDEDLO N#CC1(CNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCCC1 ZINC000593302828 449216280 /nfs/dbraw/zinc/21/62/80/449216280.db2.gz KKXCNHHZMAAPHD-UHFFFAOYSA-N 1 2 343.431 1.801 20 30 EDEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000590602955 449217223 /nfs/dbraw/zinc/21/72/23/449217223.db2.gz JKXCAJKTPRAIGX-UHFFFAOYSA-N 1 2 339.359 1.289 20 30 EDEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000590602955 449217230 /nfs/dbraw/zinc/21/72/30/449217230.db2.gz JKXCAJKTPRAIGX-UHFFFAOYSA-N 1 2 339.359 1.289 20 30 EDEDLO CCCn1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1 ZINC000611227056 449226585 /nfs/dbraw/zinc/22/65/85/449226585.db2.gz PDVPYEHQYSFACZ-UHFFFAOYSA-N 1 2 338.415 1.518 20 30 EDEDLO CS(=O)(=O)CC1(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000611243412 449235771 /nfs/dbraw/zinc/23/57/71/449235771.db2.gz MQKAWYQRGNFAGD-UHFFFAOYSA-N 1 2 347.484 1.501 20 30 EDEDLO N#CCCN(CCc1noc2ccccc21)CC[NH+]1CCOCC1 ZINC000593960103 449306208 /nfs/dbraw/zinc/30/62/08/449306208.db2.gz MQRNWCNRRKLYFK-UHFFFAOYSA-N 1 2 328.416 1.918 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000590762142 449282029 /nfs/dbraw/zinc/28/20/29/449282029.db2.gz GUEOYTKPYJZGCX-GDBMZVCRSA-N 1 2 348.447 1.407 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000590762142 449282032 /nfs/dbraw/zinc/28/20/32/449282032.db2.gz GUEOYTKPYJZGCX-GDBMZVCRSA-N 1 2 348.447 1.407 20 30 EDEDLO CCc1c[nH]c(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[nH+]1 ZINC000602097159 449341946 /nfs/dbraw/zinc/34/19/46/449341946.db2.gz MVOAVTMRXIGYNB-QGZVFWFLSA-N 1 2 337.427 1.751 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)N(C)[C@@H](C#N)CC)[C@@H]1c1c[nH+]cn1C ZINC000594086748 449351146 /nfs/dbraw/zinc/35/11/46/449351146.db2.gz BIRUYVMLXIRQRD-CKEIUWERSA-N 1 2 345.447 1.870 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000594291320 449433688 /nfs/dbraw/zinc/43/36/88/449433688.db2.gz TUOXFYCMOCOXIJ-CVEARBPZSA-N 1 2 328.460 1.489 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CCCCC#N)CC1 ZINC000594224239 449397826 /nfs/dbraw/zinc/39/78/26/449397826.db2.gz SYWNREKQZAZVPR-MRXNPFEDSA-N 1 2 334.464 1.616 20 30 EDEDLO C[C@@H](Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)c1cccc(C#N)c1 ZINC000614135840 449476657 /nfs/dbraw/zinc/47/66/57/449476657.db2.gz ZKYUFZRZLSPAEJ-CYBMUJFWSA-N 1 2 336.399 1.800 20 30 EDEDLO C[C@@H](Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)c1cccc(C#N)c1 ZINC000614135840 449476659 /nfs/dbraw/zinc/47/66/59/449476659.db2.gz ZKYUFZRZLSPAEJ-CYBMUJFWSA-N 1 2 336.399 1.800 20 30 EDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000598606185 449488191 /nfs/dbraw/zinc/48/81/91/449488191.db2.gz JQTMWZVZWMQOPC-STQMWFEESA-N 1 2 347.419 1.399 20 30 EDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000598606185 449488197 /nfs/dbraw/zinc/48/81/97/449488197.db2.gz JQTMWZVZWMQOPC-STQMWFEESA-N 1 2 347.419 1.399 20 30 EDEDLO Cc1ccccc1COCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000598688855 449546229 /nfs/dbraw/zinc/54/62/29/449546229.db2.gz ZPWDEWUNKNDNTK-UHFFFAOYSA-N 1 2 345.443 1.586 20 30 EDEDLO C[C@@H](C#N)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000596551321 449549918 /nfs/dbraw/zinc/54/99/18/449549918.db2.gz HTSFKNGJAWVFGY-DOTOQJQBSA-N 1 2 329.448 1.261 20 30 EDEDLO C[C@@H](C#N)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000596551321 449549923 /nfs/dbraw/zinc/54/99/23/449549923.db2.gz HTSFKNGJAWVFGY-DOTOQJQBSA-N 1 2 329.448 1.261 20 30 EDEDLO C[C@](O)(C[C@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000600846101 449573922 /nfs/dbraw/zinc/57/39/22/449573922.db2.gz LWQFSKPWDBEWHC-PMACEKPBSA-N 1 2 343.471 1.588 20 30 EDEDLO N#CCc1cccc2c1CC[N@@H+]([C@@H]1CC(=O)N(c3cnccn3)C1=O)C2 ZINC000600886144 449586360 /nfs/dbraw/zinc/58/63/60/449586360.db2.gz LVIXCAMCPGVLSC-MRXNPFEDSA-N 1 2 347.378 1.233 20 30 EDEDLO N#CCc1cccc2c1CC[N@H+]([C@@H]1CC(=O)N(c3cnccn3)C1=O)C2 ZINC000600886144 449586370 /nfs/dbraw/zinc/58/63/70/449586370.db2.gz LVIXCAMCPGVLSC-MRXNPFEDSA-N 1 2 347.378 1.233 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)on1 ZINC000602444564 449592316 /nfs/dbraw/zinc/59/23/16/449592316.db2.gz HNKIKLVSJDYVAJ-UHFFFAOYSA-N 1 2 344.346 1.794 20 30 EDEDLO N#Cc1cccc(-n2cc(Cn3cc[nH+]c3CN3CCOCC3)nn2)c1 ZINC000594652551 449608130 /nfs/dbraw/zinc/60/81/30/449608130.db2.gz SUBSPPAHZDUWRG-UHFFFAOYSA-N 1 2 349.398 1.216 20 30 EDEDLO Cc1c(C#N)c(=O)n(Cc2[nH+]c3ccccc3n2C)c(=O)n1C1CC1 ZINC000601091162 449684753 /nfs/dbraw/zinc/68/47/53/449684753.db2.gz ADQNMMZOWWEKSX-UHFFFAOYSA-N 1 2 335.367 1.460 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1(C#N)CCCCC1 ZINC000596857431 449690811 /nfs/dbraw/zinc/69/08/11/449690811.db2.gz MTNSCTCKYXVAMI-HZPDHXFCSA-N 1 2 334.464 1.965 20 30 EDEDLO Cc1nsc(N2CC[NH+](CC(C)(C)N3CCOCC3)CC2)c1C#N ZINC000602668955 449740392 /nfs/dbraw/zinc/74/03/92/449740392.db2.gz YPNVBGVERKEABE-UHFFFAOYSA-N 1 2 349.504 1.556 20 30 EDEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000601252175 449775496 /nfs/dbraw/zinc/77/54/96/449775496.db2.gz GTXIAGYJSFYINB-CFVMTHIKSA-N 1 2 326.404 1.870 20 30 EDEDLO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856445 449864491 /nfs/dbraw/zinc/86/44/91/449864491.db2.gz JRMTZCKEWZYJBD-XHSDSOJGSA-N 1 2 344.459 1.791 20 30 EDEDLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856445 449864496 /nfs/dbraw/zinc/86/44/96/449864496.db2.gz JRMTZCKEWZYJBD-XHSDSOJGSA-N 1 2 344.459 1.791 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856211 449865076 /nfs/dbraw/zinc/86/50/76/449865076.db2.gz JHBYWCBWDUIOQM-BZUAXINKSA-N 1 2 331.464 1.636 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)N(C)Cc2ccccc2F)C[C@H](C)N1CC#N ZINC000602857005 449865415 /nfs/dbraw/zinc/86/54/15/449865415.db2.gz NTGWDOWXCBSFFG-GJZGRUSLSA-N 1 2 332.423 1.702 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NCCOc2cccc(F)c2)C[C@H](C)N1CC#N ZINC000602858962 449867114 /nfs/dbraw/zinc/86/71/14/449867114.db2.gz WHOUPLSNACEVRP-GASCZTMLSA-N 1 2 348.422 1.239 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NCCOc2cccc(F)c2)C[C@H](C)N1CC#N ZINC000602858962 449867117 /nfs/dbraw/zinc/86/71/17/449867117.db2.gz WHOUPLSNACEVRP-GASCZTMLSA-N 1 2 348.422 1.239 20 30 EDEDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599330199 449897124 /nfs/dbraw/zinc/89/71/24/449897124.db2.gz VOBBVYNRPSEQEL-CVEARBPZSA-N 1 2 332.400 1.714 20 30 EDEDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599330199 449897131 /nfs/dbraw/zinc/89/71/31/449897131.db2.gz VOBBVYNRPSEQEL-CVEARBPZSA-N 1 2 332.400 1.714 20 30 EDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)CCOCC1 ZINC000599330091 449898122 /nfs/dbraw/zinc/89/81/22/449898122.db2.gz VLUBLQKHHZCHTA-DLBZAZTESA-N 1 2 343.427 1.231 20 30 EDEDLO N#CC1(C[C@H](O)C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)CCOCC1 ZINC000599330091 449898129 /nfs/dbraw/zinc/89/81/29/449898129.db2.gz VLUBLQKHHZCHTA-DLBZAZTESA-N 1 2 343.427 1.231 20 30 EDEDLO CN(CC1CC1)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000608779951 449934457 /nfs/dbraw/zinc/93/44/57/449934457.db2.gz UBVJMFVULUKVBN-UHFFFAOYSA-N 1 2 330.407 1.688 20 30 EDEDLO C[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1cccc(C#N)c1 ZINC000617941690 449943170 /nfs/dbraw/zinc/94/31/70/449943170.db2.gz MURVCYWHANPNPN-CQSZACIVSA-N 1 2 328.416 1.783 20 30 EDEDLO COc1ccc(C[NH+]2CCN(c3nnc(C)n3C)CC2)cc1C#N ZINC000602942927 449945215 /nfs/dbraw/zinc/94/52/15/449945215.db2.gz MZAJIYBMFXUSGU-UHFFFAOYSA-N 1 2 326.404 1.326 20 30 EDEDLO COC(=O)[C@H](Cc1cccc(OC)c1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000602945136 449946339 /nfs/dbraw/zinc/94/63/39/449946339.db2.gz OWOFDCQDWGTJHZ-HOCLYGCPSA-N 1 2 334.416 1.670 20 30 EDEDLO N#Cc1ccc(C(=O)NCC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000608890481 449948486 /nfs/dbraw/zinc/94/84/86/449948486.db2.gz GGRSVOZYHFYUQF-UHFFFAOYSA-N 1 2 325.372 1.081 20 30 EDEDLO CO[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@](C)(CO)C1 ZINC000602963884 449966368 /nfs/dbraw/zinc/96/63/68/449966368.db2.gz JQGUCBUBNGLXGB-CJNGLKHVSA-N 1 2 337.807 1.622 20 30 EDEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)[C@](C)(CO)C1 ZINC000602963884 449966372 /nfs/dbraw/zinc/96/63/72/449966372.db2.gz JQGUCBUBNGLXGB-CJNGLKHVSA-N 1 2 337.807 1.622 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000609537988 450046186 /nfs/dbraw/zinc/04/61/86/450046186.db2.gz GRJFLMVBQVGPJH-ZWKOTPCHSA-N 1 2 328.460 1.982 20 30 EDEDLO N#C[C@H]1CCC[C@@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000613146264 450048128 /nfs/dbraw/zinc/04/81/28/450048128.db2.gz LTBAGBYPGDQTNC-HIFRSBDPSA-N 1 2 332.408 1.029 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000613249064 450101658 /nfs/dbraw/zinc/10/16/58/450101658.db2.gz JZIQUPPOGNCIRR-INIZCTEOSA-N 1 2 326.400 1.959 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)o1 ZINC000595392612 450106408 /nfs/dbraw/zinc/10/64/08/450106408.db2.gz JOFVZWWJNBYSPY-AWEZNQCLSA-N 1 2 331.397 1.704 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)o1 ZINC000595392612 450106411 /nfs/dbraw/zinc/10/64/11/450106411.db2.gz JOFVZWWJNBYSPY-AWEZNQCLSA-N 1 2 331.397 1.704 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2csc(CC(=O)OC(C)C)n2)nn1 ZINC000603212290 450146351 /nfs/dbraw/zinc/14/63/51/450146351.db2.gz RWXMQORZUYEZKL-UHFFFAOYSA-N 1 2 347.444 1.390 20 30 EDEDLO COc1ccc(C#N)cc1Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000603234176 450163958 /nfs/dbraw/zinc/16/39/58/450163958.db2.gz KULLRTIVSBJFCI-UHFFFAOYSA-N 1 2 327.388 1.081 20 30 EDEDLO N#Cc1cccc(NC2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)c1 ZINC000601678446 450163993 /nfs/dbraw/zinc/16/39/93/450163993.db2.gz ROCPWLXABSFDRU-UHFFFAOYSA-N 1 2 335.411 1.956 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615540511 450133604 /nfs/dbraw/zinc/13/36/04/450133604.db2.gz UQTSNTMCOLDEBZ-MRXNPFEDSA-N 1 2 333.367 1.696 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000599670254 450141426 /nfs/dbraw/zinc/14/14/26/450141426.db2.gz HPMUOMLZVUZRCL-APWZRJJASA-N 1 2 343.427 1.813 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000599670254 450141429 /nfs/dbraw/zinc/14/14/29/450141429.db2.gz HPMUOMLZVUZRCL-APWZRJJASA-N 1 2 343.427 1.813 20 30 EDEDLO COCc1cc(C#N)ccc1N1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000603269028 450195317 /nfs/dbraw/zinc/19/53/17/450195317.db2.gz LJAFVMZHFIIVET-INIZCTEOSA-N 1 2 349.456 1.014 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2COC)CC1 ZINC000603271602 450197920 /nfs/dbraw/zinc/19/79/20/450197920.db2.gz GTKIWFIWPXGJEJ-UHFFFAOYSA-N 1 2 328.416 1.129 20 30 EDEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000615800414 450245521 /nfs/dbraw/zinc/24/55/21/450245521.db2.gz GPJTXHDJTVZUKY-SMDDNHRTSA-N 1 2 333.354 1.981 20 30 EDEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000615800414 450245523 /nfs/dbraw/zinc/24/55/23/450245523.db2.gz GPJTXHDJTVZUKY-SMDDNHRTSA-N 1 2 333.354 1.981 20 30 EDEDLO N#Cc1ccsc1C(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000603410590 450286403 /nfs/dbraw/zinc/28/64/03/450286403.db2.gz WEXGIAPLXGYQCH-OAHLLOKOSA-N 1 2 348.472 1.146 20 30 EDEDLO CCOc1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)co1 ZINC000613866160 450342341 /nfs/dbraw/zinc/34/23/41/450342341.db2.gz MEGHMEREEPFTPC-UHFFFAOYSA-N 1 2 340.383 1.903 20 30 EDEDLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000603896245 450370441 /nfs/dbraw/zinc/37/04/41/450370441.db2.gz XNQVZGQUJNVWCC-QWRGUYRKSA-N 1 2 347.440 1.930 20 30 EDEDLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000603896245 450370448 /nfs/dbraw/zinc/37/04/48/450370448.db2.gz XNQVZGQUJNVWCC-QWRGUYRKSA-N 1 2 347.440 1.930 20 30 EDEDLO C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)C3(C)CC(=C)C3)CC[N@H+]2C)C1 ZINC000633564026 450917983 /nfs/dbraw/zinc/91/79/83/450917983.db2.gz LHOYUCRKHCXFTI-INIZCTEOSA-N 1 2 345.487 1.958 20 30 EDEDLO C=C1CC(C)(C(=O)NC[C@H]2CN(C(=O)C3(C)CC(=C)C3)CC[N@@H+]2C)C1 ZINC000633564026 450917987 /nfs/dbraw/zinc/91/79/87/450917987.db2.gz LHOYUCRKHCXFTI-INIZCTEOSA-N 1 2 345.487 1.958 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(-c3ccccc3)no2)CC1 ZINC000624553871 450893612 /nfs/dbraw/zinc/89/36/12/450893612.db2.gz ZGNIGDJYCXBATP-UHFFFAOYSA-N 1 2 327.388 1.161 20 30 EDEDLO C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000624836248 451018788 /nfs/dbraw/zinc/01/87/88/451018788.db2.gz FVRAYDKOFUXVDB-HUUCEWRRSA-N 1 2 335.452 1.473 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCc2ccc(Cl)cc2)nn1 ZINC000640881534 451670119 /nfs/dbraw/zinc/67/01/19/451670119.db2.gz QQACNBFVGAEPHL-ZDUSSCGKSA-N 1 2 345.834 1.922 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(S(=O)(=O)CC)cc2)nn1 ZINC000641142376 451760143 /nfs/dbraw/zinc/76/01/43/451760143.db2.gz HLNHDFNEDAIRCV-UHFFFAOYSA-N 1 2 332.429 1.233 20 30 EDEDLO C=CCOCCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000660242908 453151314 /nfs/dbraw/zinc/15/13/14/453151314.db2.gz TTYXSYIOSGAEOP-UHFFFAOYSA-N 1 2 347.459 1.911 20 30 EDEDLO C=CCCNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000660654310 453490284 /nfs/dbraw/zinc/49/02/84/453490284.db2.gz ZPCNJPZSAGJAQY-UHFFFAOYSA-N 1 2 336.480 1.586 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2n[nH]c(=O)o2)c(OC)c1 ZINC000660849190 453606250 /nfs/dbraw/zinc/60/62/50/453606250.db2.gz GUBLIALCFPAUDE-ZDUSSCGKSA-N 1 2 349.387 1.384 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2n[nH]c(=O)o2)c(OC)c1 ZINC000660849190 453606253 /nfs/dbraw/zinc/60/62/53/453606253.db2.gz GUBLIALCFPAUDE-ZDUSSCGKSA-N 1 2 349.387 1.384 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)nn1 ZINC000657305748 453762504 /nfs/dbraw/zinc/76/25/04/453762504.db2.gz JSZJBJAKKLZGMQ-UHFFFAOYSA-N 1 2 328.420 1.376 20 30 EDEDLO C=CC[N@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)[C@@H](C)COC ZINC000661241975 453771957 /nfs/dbraw/zinc/77/19/57/453771957.db2.gz HPOOPYKUACUNGB-NSHDSACASA-N 1 2 347.444 1.666 20 30 EDEDLO C=CC[N@@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)[C@@H](C)COC ZINC000661241975 453771964 /nfs/dbraw/zinc/77/19/64/453771964.db2.gz HPOOPYKUACUNGB-NSHDSACASA-N 1 2 347.444 1.666 20 30 EDEDLO C=C(C)Cn1c(COC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000670235029 486708088 /nfs/dbraw/zinc/70/80/88/486708088.db2.gz ZQQNDZVYVMAQIC-UHFFFAOYSA-N 1 2 343.435 1.426 20 30 EDEDLO COCC#CC[NH+]1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000680388908 486766104 /nfs/dbraw/zinc/76/61/04/486766104.db2.gz NFVTWWHAAJRXMA-INIZCTEOSA-N 1 2 335.835 1.134 20 30 EDEDLO COc1ccc(O)c(/C=[NH+]/C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1 ZINC000129380028 534195413 /nfs/dbraw/zinc/19/54/13/534195413.db2.gz FEOHMLCYZKCVBW-RAGYYJGWSA-N 1 2 326.418 1.538 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)cc(C)cc2C)CC1 ZINC000090553070 526997026 /nfs/dbraw/zinc/99/70/26/526997026.db2.gz CLHZIBKLBFKCBR-UHFFFAOYSA-N 1 2 341.455 1.509 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)cc(C)cc2C)CC1 ZINC000090553070 526997029 /nfs/dbraw/zinc/99/70/29/526997029.db2.gz CLHZIBKLBFKCBR-UHFFFAOYSA-N 1 2 341.455 1.509 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NCC[C@H](C)[NH3+])cc2[nH]c1=S ZINC000178661476 527334795 /nfs/dbraw/zinc/33/47/95/527334795.db2.gz NQQPOAHHMJUSNB-JTQLQIEISA-N 1 2 332.429 1.338 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000330480201 535596656 /nfs/dbraw/zinc/59/66/56/535596656.db2.gz QWHAXFDNPGABJB-UHFFFAOYSA-N 1 2 341.452 1.286 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CC2(C)C)CC1 ZINC000328800225 546508541 /nfs/dbraw/zinc/50/85/41/546508541.db2.gz ICGANOKLXFGHNY-HUUCEWRRSA-N 1 2 336.480 1.718 20 30 EDEDLO C#CCNC(=O)C[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000741794506 579429007 /nfs/dbraw/zinc/42/90/07/579429007.db2.gz QZOLXSVTBKFBSW-UHFFFAOYSA-N 1 2 326.299 1.198 20 30 EDEDLO C#CCNC(=O)C[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000741794506 579429008 /nfs/dbraw/zinc/42/90/08/579429008.db2.gz QZOLXSVTBKFBSW-UHFFFAOYSA-N 1 2 326.299 1.198 20 30 EDEDLO C#CCN(CC#CC)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000742130657 579435955 /nfs/dbraw/zinc/43/59/55/579435955.db2.gz LMDXCOYNEWAWKH-QGZVFWFLSA-N 1 2 341.430 1.821 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000730094404 578613711 /nfs/dbraw/zinc/61/37/11/578613711.db2.gz GQAZSUBGPKGUJI-INIZCTEOSA-N 1 2 338.411 1.521 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000730094404 578613713 /nfs/dbraw/zinc/61/37/13/578613713.db2.gz GQAZSUBGPKGUJI-INIZCTEOSA-N 1 2 338.411 1.521 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 ZINC000730104220 578614929 /nfs/dbraw/zinc/61/49/29/578614929.db2.gz MJKLDOQCURKCSP-ZDUSSCGKSA-N 1 2 343.412 1.273 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 ZINC000730104220 578614930 /nfs/dbraw/zinc/61/49/30/578614930.db2.gz MJKLDOQCURKCSP-ZDUSSCGKSA-N 1 2 343.412 1.273 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(OCC)cc1 ZINC000730106077 578615057 /nfs/dbraw/zinc/61/50/57/578615057.db2.gz SDHVLYLEQDVRHJ-INIZCTEOSA-N 1 2 329.400 1.238 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(OCC)cc1 ZINC000730106077 578615059 /nfs/dbraw/zinc/61/50/59/578615059.db2.gz SDHVLYLEQDVRHJ-INIZCTEOSA-N 1 2 329.400 1.238 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000730106040 578615071 /nfs/dbraw/zinc/61/50/71/578615071.db2.gz RACZQECFMWCFTC-HNNXBMFYSA-N 1 2 335.429 1.484 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000730106040 578615073 /nfs/dbraw/zinc/61/50/73/578615073.db2.gz RACZQECFMWCFTC-HNNXBMFYSA-N 1 2 335.429 1.484 20 30 EDEDLO COc1c(C)c[nH+]c(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1C ZINC000732673949 578723678 /nfs/dbraw/zinc/72/36/78/578723678.db2.gz CNTXOCHKMISYIB-OAHLLOKOSA-N 1 2 343.431 1.589 20 30 EDEDLO CN(C)c1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c[nH+]1 ZINC000732676895 578723931 /nfs/dbraw/zinc/72/39/31/578723931.db2.gz OTGIMWNIVXFDEB-OAHLLOKOSA-N 1 2 328.420 1.029 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2cccnc2N=NCc2ccoc2)CC1 ZINC000734750839 578835521 /nfs/dbraw/zinc/83/55/21/578835521.db2.gz GOOTVSIBDXGMEH-UHFFFAOYSA-N 1 2 349.416 1.057 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(NS(=O)(=O)CCC)c1 ZINC000737924591 579140700 /nfs/dbraw/zinc/14/07/00/579140700.db2.gz NCEUSBAUEDJWQM-INIZCTEOSA-N 1 2 349.456 1.874 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(NS(=O)(=O)CCC)c1 ZINC000737924591 579140701 /nfs/dbraw/zinc/14/07/01/579140701.db2.gz NCEUSBAUEDJWQM-INIZCTEOSA-N 1 2 349.456 1.874 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)CSc2nccn2C(C)(C)C)CC1 ZINC000749656074 579733588 /nfs/dbraw/zinc/73/35/88/579733588.db2.gz UPOAGLHAHXZONQ-UHFFFAOYSA-N 1 2 334.489 1.898 20 30 EDEDLO C[C@H]1COCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000754384849 579902472 /nfs/dbraw/zinc/90/24/72/579902472.db2.gz LHEKQYQFTBKRGY-OCCSQVGLSA-N 1 2 340.383 1.480 20 30 EDEDLO C[C@H]1COCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000754384849 579902473 /nfs/dbraw/zinc/90/24/73/579902473.db2.gz LHEKQYQFTBKRGY-OCCSQVGLSA-N 1 2 340.383 1.480 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C[C@H]1CCc2ccccc21 ZINC000755498245 579928169 /nfs/dbraw/zinc/92/81/69/579928169.db2.gz FJPXPKHJIHYOLV-OAHLLOKOSA-N 1 2 332.473 1.499 20 30 EDEDLO COC(=O)c1ccc(N[NH+]=Cc2ccc(N(C)CCO)cc2)nc1 ZINC000758140180 579975886 /nfs/dbraw/zinc/97/58/86/579975886.db2.gz CWACXVLFNJMNHH-UHFFFAOYSA-N 1 2 328.372 1.743 20 30 EDEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@@H](COC)C2)c1=S ZINC000765024586 580133423 /nfs/dbraw/zinc/13/34/23/580133423.db2.gz GFQXKYPAQINCIP-CYBMUJFWSA-N 1 2 346.460 1.983 20 30 EDEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@@H](COC)C2)c1=S ZINC000765024586 580133424 /nfs/dbraw/zinc/13/34/24/580133424.db2.gz GFQXKYPAQINCIP-CYBMUJFWSA-N 1 2 346.460 1.983 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000772115581 580303602 /nfs/dbraw/zinc/30/36/02/580303602.db2.gz YBTCSXGQHQZNNA-UHFFFAOYSA-N 1 2 330.340 1.666 20 30 EDEDLO Cc1cccn2c(CN=Nc3ccccc3S(N)(=O)=O)c[nH+]c12 ZINC000773126447 580327819 /nfs/dbraw/zinc/32/78/19/580327819.db2.gz WVDBOZDTPGLORQ-UHFFFAOYSA-N 1 2 329.385 1.736 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCCO1 ZINC000773147261 580328257 /nfs/dbraw/zinc/32/82/57/580328257.db2.gz ANVZAZPKBAEQTD-ZWKOTPCHSA-N 1 2 338.411 1.911 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000773147257 580328272 /nfs/dbraw/zinc/32/82/72/580328272.db2.gz ANVZAZPKBAEQTD-ROUUACIJSA-N 1 2 338.411 1.911 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CCCO1 ZINC000773213816 580330643 /nfs/dbraw/zinc/33/06/43/580330643.db2.gz SHOBALGDOJYJNJ-KGLIPLIRSA-N 1 2 332.791 1.968 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CCCO1 ZINC000776129108 580408909 /nfs/dbraw/zinc/40/89/09/580408909.db2.gz IDJCGKWYVMGHHE-HUUCEWRRSA-N 1 2 325.372 1.247 20 30 EDEDLO C#C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F)[C@@H]1CCCO1 ZINC000776226324 580411912 /nfs/dbraw/zinc/41/19/12/580411912.db2.gz GRZZLFBQFUPYCF-NEPJUHHUSA-N 1 2 344.337 1.768 20 30 EDEDLO COCCS(=O)(=O)CCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000778587761 580468028 /nfs/dbraw/zinc/46/80/28/580468028.db2.gz FDDQRPXNCISHER-UHFFFAOYSA-N 1 2 334.825 1.428 20 30 EDEDLO C[C@@H]1C[NH+]=C(NN=Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000779795941 580497532 /nfs/dbraw/zinc/49/75/32/580497532.db2.gz ZJUMTYMECXGPSQ-SNVBAGLBSA-N 1 2 327.348 1.267 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000780861851 580535389 /nfs/dbraw/zinc/53/53/89/580535389.db2.gz KRGUIVHFVOSUIK-SFHVURJKSA-N 1 2 336.395 1.331 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000780863666 580535403 /nfs/dbraw/zinc/53/54/03/580535403.db2.gz XPBOVFBPEHVULJ-SFHVURJKSA-N 1 2 336.395 1.903 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@H](/N=C/c2ccc(O)c(O)c2O)C1=O ZINC000782881350 580587523 /nfs/dbraw/zinc/58/75/23/580587523.db2.gz TUQRFXANRPTAPG-BFNDQCEFSA-N 1 2 344.371 1.147 20 30 EDEDLO O=C(NCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)C1N=CC=CC1=O ZINC000783252473 580596664 /nfs/dbraw/zinc/59/66/64/580596664.db2.gz QUFWQZNBMVCOTP-FWWJWKNHSA-N 1 2 337.383 1.615 20 30 EDEDLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000784440866 580621016 /nfs/dbraw/zinc/62/10/16/580621016.db2.gz BGFWROPLBYFEGB-RHSMWYFYSA-N 1 2 336.436 1.301 20 30 EDEDLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000784440866 580621017 /nfs/dbraw/zinc/62/10/17/580621017.db2.gz BGFWROPLBYFEGB-RHSMWYFYSA-N 1 2 336.436 1.301 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccnc3c(F)cccc23)CC1 ZINC000788834767 580730781 /nfs/dbraw/zinc/73/07/81/580730781.db2.gz YIKLAZPBYIRFJH-UHFFFAOYSA-N 1 2 328.391 1.798 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cnnn2-c2cccc(F)c2)CC1 ZINC000789919314 580756934 /nfs/dbraw/zinc/75/69/34/580756934.db2.gz IRVSOIPZGFSFCB-UHFFFAOYSA-N 1 2 327.363 1.188 20 30 EDEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000790127159 580762752 /nfs/dbraw/zinc/76/27/52/580762752.db2.gz NSGRFXXTWJGEMA-VBQJREDUSA-N 1 2 331.416 1.159 20 30 EDEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H](O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000790127159 580762753 /nfs/dbraw/zinc/76/27/53/580762753.db2.gz NSGRFXXTWJGEMA-VBQJREDUSA-N 1 2 331.416 1.159 20 30 EDEDLO COc1cc(C=NNc2[nH+]ccn2C)cc(Cl)c1OCC(N)=O ZINC000790302264 580766420 /nfs/dbraw/zinc/76/64/20/580766420.db2.gz LEJYSIORQFDUNH-UHFFFAOYSA-N 1 2 337.767 1.392 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790570517 580773116 /nfs/dbraw/zinc/77/31/16/580773116.db2.gz BEBOOFGFUJOTAK-UHFFFAOYSA-N 1 2 340.345 1.848 20 30 EDEDLO CC[C@H](C)CO[NH+]=Cc1c(Cl)nc(N)nc1N1CCOCC1 ZINC000793144506 580836609 /nfs/dbraw/zinc/83/66/09/580836609.db2.gz DDZVXLXLRUFJMM-JTQLQIEISA-N 1 2 327.816 1.945 20 30 EDEDLO CC(C)[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589516 580848432 /nfs/dbraw/zinc/84/84/32/580848432.db2.gz HLXJWHMBPDTORL-JKSUJKDBSA-N 1 2 328.416 1.868 20 30 EDEDLO CC(C)[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589516 580848433 /nfs/dbraw/zinc/84/84/33/580848433.db2.gz HLXJWHMBPDTORL-JKSUJKDBSA-N 1 2 328.416 1.868 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000798352220 580994973 /nfs/dbraw/zinc/99/49/73/580994973.db2.gz NVTLIHDVDPKXFB-SFHVURJKSA-N 1 2 345.443 1.092 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@@H](c3ccccc3C)CC2=O)C1=O ZINC000799142076 581018514 /nfs/dbraw/zinc/01/85/14/581018514.db2.gz JUUMYLQFIDOGRO-WMZOPIPTSA-N 1 2 341.455 1.987 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@@H](c3ccccc3C)CC2=O)C1=O ZINC000799142076 581018515 /nfs/dbraw/zinc/01/85/15/581018515.db2.gz JUUMYLQFIDOGRO-WMZOPIPTSA-N 1 2 341.455 1.987 20 30 EDEDLO CC(=[NH+]N[C@H](C)CO)c1c[nH]c2ccc(Br)cc2c1=O ZINC000799881045 581038353 /nfs/dbraw/zinc/03/83/53/581038353.db2.gz HVKSOUXTINNRBH-MRVPVSSYSA-N 1 2 338.205 1.985 20 30 EDEDLO COCCO[C@@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000800851106 581059703 /nfs/dbraw/zinc/05/97/03/581059703.db2.gz XZHBTKWQYLXFJU-OAHLLOKOSA-N 1 2 331.416 1.294 20 30 EDEDLO COCCO[C@@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000800851106 581059704 /nfs/dbraw/zinc/05/97/04/581059704.db2.gz XZHBTKWQYLXFJU-OAHLLOKOSA-N 1 2 331.416 1.294 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)cn1 ZINC000801552582 581079609 /nfs/dbraw/zinc/07/96/09/581079609.db2.gz FBFLQFPDXHJKEG-DEOSSOPVSA-N 1 2 340.452 1.883 20 30 EDEDLO CCc1ccccc1NC(=O)CN1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801911188 581087720 /nfs/dbraw/zinc/08/77/20/581087720.db2.gz GKOGPJAILWVYNA-MRXNPFEDSA-N 1 2 344.459 1.734 20 30 EDEDLO CCOC(=O)c1cnc(N2CC[NH+](CCO[C@H](C)C#N)CC2)s1 ZINC000801924232 581088193 /nfs/dbraw/zinc/08/81/93/581088193.db2.gz SQIXAIQIMJPKOF-GFCCVEGCSA-N 1 2 338.433 1.370 20 30 EDEDLO C#CCSCC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000893173420 590696143 /nfs/dbraw/zinc/69/61/43/590696143.db2.gz DMFYKEWGHLYXNQ-UHFFFAOYSA-N 1 2 326.462 1.275 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)COc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893565689 590965123 /nfs/dbraw/zinc/96/51/23/590965123.db2.gz HRBJCGVVUQZVPB-YOEHRIQHSA-N 1 2 332.356 1.116 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)COc2ccc(C#N)cc2)C[N@H+]1C ZINC000893565689 590965125 /nfs/dbraw/zinc/96/51/25/590965125.db2.gz HRBJCGVVUQZVPB-YOEHRIQHSA-N 1 2 332.356 1.116 20 30 EDEDLO CCC(CC)[C@@H](C(=O)NCC#C[C@H]1CCCCO1)[NH+]1CCOCC1 ZINC000891119892 590968269 /nfs/dbraw/zinc/96/82/69/590968269.db2.gz SZDOITWDJXOMQP-MSOLQXFVSA-N 1 2 336.476 1.812 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)c2ccccc2OCC#N)C[N@@H+]1C ZINC000893584657 590989904 /nfs/dbraw/zinc/98/99/04/590989904.db2.gz QQEYVZZXDVAHOU-SJKOYZFVSA-N 1 2 332.356 1.382 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)c2ccccc2OCC#N)C[N@H+]1C ZINC000893584657 590989906 /nfs/dbraw/zinc/98/99/06/590989906.db2.gz QQEYVZZXDVAHOU-SJKOYZFVSA-N 1 2 332.356 1.382 20 30 EDEDLO N#Cc1ccc(C2CCN(C(=O)NCC[NH+]3CCOCC3)CC2)cc1 ZINC000891449251 591076197 /nfs/dbraw/zinc/07/61/97/591076197.db2.gz PTFNSPOMMNUUOI-UHFFFAOYSA-N 1 2 342.443 1.779 20 30 EDEDLO COC(=O)[C@H]1[C@H](C[NH+]2CCN(c3ccccc3C#N)CC2)C1(F)F ZINC000893920875 591139172 /nfs/dbraw/zinc/13/91/72/591139172.db2.gz DYMVEZQXWULJRK-DZGCQCFKSA-N 1 2 335.354 1.735 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cncc(C(F)F)c2)C1 ZINC000891603103 591144385 /nfs/dbraw/zinc/14/43/85/591144385.db2.gz NEVVHYUZQYJBKM-LBPRGKRZSA-N 1 2 336.342 1.172 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cncc(C(F)F)c2)C1 ZINC000891603103 591144388 /nfs/dbraw/zinc/14/43/88/591144388.db2.gz NEVVHYUZQYJBKM-LBPRGKRZSA-N 1 2 336.342 1.172 20 30 EDEDLO COC(=O)[C@H](C[C@H]1CCCO1)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000895862067 591285991 /nfs/dbraw/zinc/28/59/91/591285991.db2.gz HXXLQHBPHDAYSF-CABCVRRESA-N 1 2 328.372 1.406 20 30 EDEDLO CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000895863489 591286483 /nfs/dbraw/zinc/28/64/83/591286483.db2.gz JFNZYRXBJUSTMY-JKSUJKDBSA-N 1 2 342.399 1.796 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000895898597 591299180 /nfs/dbraw/zinc/29/91/80/591299180.db2.gz YXMCJCUTLGAYFI-INIZCTEOSA-N 1 2 327.428 1.421 20 30 EDEDLO N#Cc1cnc(N2CCN(c3cc[nH+]nc3)CC2)c(Br)c1 ZINC000895960214 591310615 /nfs/dbraw/zinc/31/06/15/591310615.db2.gz PQVHBGJHINECIG-UHFFFAOYSA-N 1 2 345.204 1.832 20 30 EDEDLO N#Cc1cc(N2CC[NH+](Cc3cn[nH]c3)CC2)ncc1Br ZINC000895959822 591310892 /nfs/dbraw/zinc/31/08/92/591310892.db2.gz IUPGJTGCFQRUCH-UHFFFAOYSA-N 1 2 347.220 1.761 20 30 EDEDLO O=C1[C@H]([NH2+]Cc2sc(N3CCOCC3)nc2Cl)CCCN1O ZINC000895159713 591625798 /nfs/dbraw/zinc/62/57/98/591625798.db2.gz XTOOUZJPMGJXDI-SECBINFHSA-N 1 2 346.840 1.103 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1nc(C#N)cs1 ZINC000897275985 591804546 /nfs/dbraw/zinc/80/45/46/591804546.db2.gz VYXHPUGNONEMOS-WCQYABFASA-N 1 2 335.433 1.019 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000900806135 592129541 /nfs/dbraw/zinc/12/95/41/592129541.db2.gz RXTAXQOWEFMQBZ-FKLRVFMWSA-N 1 2 329.444 1.484 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000900806135 592129543 /nfs/dbraw/zinc/12/95/43/592129543.db2.gz RXTAXQOWEFMQBZ-FKLRVFMWSA-N 1 2 329.444 1.484 20 30 EDEDLO C[C@@H]1CN(C(=O)C(F)(F)c2ccccc2C#N)C[C@@H]1[NH+]1CCOCC1 ZINC000900881402 592155408 /nfs/dbraw/zinc/15/54/08/592155408.db2.gz SYGQVUZTBAROBO-CJNGLKHVSA-N 1 2 349.381 1.829 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C[C@]2(C)CC2(Cl)Cl)no1 ZINC000904123340 592430952 /nfs/dbraw/zinc/43/09/52/592430952.db2.gz KLKXICKRQMQYDR-QPUJVOFHSA-N 1 2 334.203 1.795 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000906992092 592465032 /nfs/dbraw/zinc/46/50/32/592465032.db2.gz RELKYKBBSYTGOD-INIZCTEOSA-N 1 2 334.441 1.011 20 30 EDEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@@H+](C)C[C@H](C)O2)n1CC=C ZINC000908694406 592574177 /nfs/dbraw/zinc/57/41/77/592574177.db2.gz BGFBRARJRKLLGQ-XHSDSOJGSA-N 1 2 329.448 1.848 20 30 EDEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@H+](C)C[C@H](C)O2)n1CC=C ZINC000908694406 592574178 /nfs/dbraw/zinc/57/41/78/592574178.db2.gz BGFBRARJRKLLGQ-XHSDSOJGSA-N 1 2 329.448 1.848 20 30 EDEDLO C#CCCN(CC(F)(F)F)C(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000907425375 592643823 /nfs/dbraw/zinc/64/38/23/592643823.db2.gz NFGTXGATCANURN-NSHDSACASA-N 1 2 345.321 1.269 20 30 EDEDLO C#CCCN(CC(F)(F)F)C(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000907425375 592643825 /nfs/dbraw/zinc/64/38/25/592643825.db2.gz NFGTXGATCANURN-NSHDSACASA-N 1 2 345.321 1.269 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2n2cc[nH+]c2)cc1F ZINC000907798662 592799974 /nfs/dbraw/zinc/79/99/74/592799974.db2.gz NMIUZTXBMBLLSC-CABCVRRESA-N 1 2 334.376 1.966 20 30 EDEDLO C#C[C@H](NC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1)c1ccccc1 ZINC000911499759 592932374 /nfs/dbraw/zinc/93/23/74/592932374.db2.gz ABRHTPRPHHIKAS-HOTGVXAUSA-N 1 2 339.395 2.000 20 30 EDEDLO C#C[C@H](NC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1)c1ccccc1 ZINC000911499759 592932375 /nfs/dbraw/zinc/93/23/75/592932375.db2.gz ABRHTPRPHHIKAS-HOTGVXAUSA-N 1 2 339.395 2.000 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(C#CCO)c1)C(C)(C)CO ZINC000912219844 593076740 /nfs/dbraw/zinc/07/67/40/593076740.db2.gz BFBCXBWKQFYKAF-INIZCTEOSA-N 1 2 341.411 1.254 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)CC1 ZINC000805839848 593153291 /nfs/dbraw/zinc/15/32/91/593153291.db2.gz UHHBSFUPZOTLIY-KRWDZBQOSA-N 1 2 331.485 1.908 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)CC1 ZINC000805839848 593153293 /nfs/dbraw/zinc/15/32/93/593153293.db2.gz UHHBSFUPZOTLIY-KRWDZBQOSA-N 1 2 331.485 1.908 20 30 EDEDLO CN(C)c1c(C=[NH+]N[C@@H]2CCCCC2(C)C)c(=O)n(C)c(=O)n1C ZINC000807984587 593213836 /nfs/dbraw/zinc/21/38/36/593213836.db2.gz BLQTWUJYKLMIFT-CYBMUJFWSA-N 1 2 335.452 1.042 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](CN3C[C@@H]4CCC[C@H]4C3=O)CC2)c1 ZINC000839956483 593228664 /nfs/dbraw/zinc/22/86/64/593228664.db2.gz BWYBFSIDRDASJE-JKSUJKDBSA-N 1 2 325.416 1.291 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@H](C(=O)N4CCCC4)C3)c1=O)CCC2 ZINC000808207913 593239676 /nfs/dbraw/zinc/23/96/76/593239676.db2.gz RSAFQRAABKCLPQ-HNNXBMFYSA-N 1 2 340.427 1.110 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@H](C(=O)N4CCCC4)C3)c1=O)CCC2 ZINC000808207913 593239677 /nfs/dbraw/zinc/23/96/77/593239677.db2.gz RSAFQRAABKCLPQ-HNNXBMFYSA-N 1 2 340.427 1.110 20 30 EDEDLO C[C@H](c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1)n1cnc(C#N)n1 ZINC000809418366 593337715 /nfs/dbraw/zinc/33/77/15/593337715.db2.gz SMOOQSAWABSUAT-SNVBAGLBSA-N 1 2 333.315 1.390 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000811873418 593484884 /nfs/dbraw/zinc/48/48/84/593484884.db2.gz QDTSWMBEKZZJOS-UHFFFAOYSA-N 1 2 339.403 1.155 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCn4nccc43)CC2)cc1 ZINC000818679811 593713496 /nfs/dbraw/zinc/71/34/96/593713496.db2.gz ZOLANEPCXPBQCS-GOSISDBHSA-N 1 2 349.438 1.977 20 30 EDEDLO CC(C)OC[C@H](O)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000819230760 593745800 /nfs/dbraw/zinc/74/58/00/593745800.db2.gz YROQYEJFSAQSHJ-BFHYXJOUSA-N 1 2 327.425 1.121 20 30 EDEDLO C=C(C)C[N@H+](CC)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819722728 593765345 /nfs/dbraw/zinc/76/53/45/593765345.db2.gz PUVIUSUQCLRNCE-UHFFFAOYSA-N 1 2 335.433 1.538 20 30 EDEDLO C=C(C)C[N@@H+](CC)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000819722728 593765346 /nfs/dbraw/zinc/76/53/46/593765346.db2.gz PUVIUSUQCLRNCE-UHFFFAOYSA-N 1 2 335.433 1.538 20 30 EDEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C(=O)CC12CCC2 ZINC000819746042 593766689 /nfs/dbraw/zinc/76/66/89/593766689.db2.gz YQKHELBVYOGGDA-UHFFFAOYSA-N 1 2 338.415 1.967 20 30 EDEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C(=O)CC12CCC2 ZINC000819746042 593766690 /nfs/dbraw/zinc/76/66/90/593766690.db2.gz YQKHELBVYOGGDA-UHFFFAOYSA-N 1 2 338.415 1.967 20 30 EDEDLO C#C[C@H](C)NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000820436422 593818907 /nfs/dbraw/zinc/81/89/07/593818907.db2.gz WWPAZSGGRATNAW-ZDUSSCGKSA-N 1 2 345.834 1.837 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000824279396 593974707 /nfs/dbraw/zinc/97/47/07/593974707.db2.gz UNMOKWVLSLRBAA-GJZGRUSLSA-N 1 2 330.432 1.981 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000824279396 593974709 /nfs/dbraw/zinc/97/47/09/593974709.db2.gz UNMOKWVLSLRBAA-GJZGRUSLSA-N 1 2 330.432 1.981 20 30 EDEDLO C#CCO[C@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000822524546 594062052 /nfs/dbraw/zinc/06/20/52/594062052.db2.gz YXZCULWCXSOILG-QLFBSQMISA-N 1 2 331.416 1.350 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2ccc(C#N)cn2)cc1 ZINC000822949845 594127082 /nfs/dbraw/zinc/12/70/82/594127082.db2.gz RLFYKPRWKZMCMK-GOSISDBHSA-N 1 2 336.395 1.853 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2ccc(C#N)cn2)cc1 ZINC000822949845 594127084 /nfs/dbraw/zinc/12/70/84/594127084.db2.gz RLFYKPRWKZMCMK-GOSISDBHSA-N 1 2 336.395 1.853 20 30 EDEDLO C#C[C@@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)C1CCOCC1 ZINC000823158138 594161811 /nfs/dbraw/zinc/16/18/11/594161811.db2.gz CHMPLNOZPHMCPW-GOSISDBHSA-N 1 2 349.475 1.169 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C1CCOCC1 ZINC000823177600 594165173 /nfs/dbraw/zinc/16/51/73/594165173.db2.gz HNEWKTDKFJZNDG-BHYGNILZSA-N 1 2 330.432 1.904 20 30 EDEDLO COC(=O)C1(C#N)CCN(C(=O)c2ccn3cc(C)[nH+]c3c2)CC1 ZINC000823366215 594193067 /nfs/dbraw/zinc/19/30/67/594193067.db2.gz ZSOGASFMWYMTAR-UHFFFAOYSA-N 1 2 326.356 1.562 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000825619717 594207721 /nfs/dbraw/zinc/20/77/21/594207721.db2.gz RZANIXUVYJBXLO-INIZCTEOSA-N 1 2 342.443 1.863 20 30 EDEDLO COc1cccc([C@H](C#N)NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c1OC ZINC000826143087 594344048 /nfs/dbraw/zinc/34/40/48/594344048.db2.gz SBVITJKJHQTJSV-ABAIWWIYSA-N 1 2 340.383 1.913 20 30 EDEDLO COc1cccc([C@H](C#N)NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c1OC ZINC000826143087 594344050 /nfs/dbraw/zinc/34/40/50/594344050.db2.gz SBVITJKJHQTJSV-ABAIWWIYSA-N 1 2 340.383 1.913 20 30 EDEDLO C#CCN(CC(=O)NC[C@@H](C)Cn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000828405300 594411005 /nfs/dbraw/zinc/41/10/05/594411005.db2.gz XDBDIZXRDYYPQZ-CQSZACIVSA-N 1 2 334.420 1.506 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830886977 594505512 /nfs/dbraw/zinc/50/55/12/594505512.db2.gz XTBBOECLTKECQP-OCCSQVGLSA-N 1 2 338.791 1.598 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830886977 594505514 /nfs/dbraw/zinc/50/55/14/594505514.db2.gz XTBBOECLTKECQP-OCCSQVGLSA-N 1 2 338.791 1.598 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3cc(F)c(F)cc3c2O)C1 ZINC000829583097 594645190 /nfs/dbraw/zinc/64/51/90/594645190.db2.gz VRDZVPBYDGKOIV-LLVKDONJSA-N 1 2 345.349 1.634 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3cc(F)c(F)cc3c2O)C1 ZINC000829583097 594645192 /nfs/dbraw/zinc/64/51/92/594645192.db2.gz VRDZVPBYDGKOIV-LLVKDONJSA-N 1 2 345.349 1.634 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)NC2CCCCCCC2)CC1 ZINC000831687540 594692633 /nfs/dbraw/zinc/69/26/33/594692633.db2.gz RTFSYYHCAQNZEG-UHFFFAOYSA-N 1 2 335.448 1.994 20 30 EDEDLO C#CCO[C@H](C)C(=O)OCC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000835368625 594818490 /nfs/dbraw/zinc/81/84/90/594818490.db2.gz MGMZGOYIJDKZGP-ZIAGYGMSSA-N 1 2 325.405 1.374 20 30 EDEDLO C#CCO[C@H](C)C(=O)OCC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000835368625 594818492 /nfs/dbraw/zinc/81/84/92/594818492.db2.gz MGMZGOYIJDKZGP-ZIAGYGMSSA-N 1 2 325.405 1.374 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000836213413 594939348 /nfs/dbraw/zinc/93/93/48/594939348.db2.gz DPTJWCZKPSVQIY-CABCVRRESA-N 1 2 327.388 1.800 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000842176763 595029107 /nfs/dbraw/zinc/02/91/07/595029107.db2.gz XVUZRZSSKNKECV-RDTXWAMCSA-N 1 2 342.443 1.956 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CCO1 ZINC000842176763 595029110 /nfs/dbraw/zinc/02/91/10/595029110.db2.gz XVUZRZSSKNKECV-RDTXWAMCSA-N 1 2 342.443 1.956 20 30 EDEDLO C=C[C@@H](C)ONC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000845638470 595037306 /nfs/dbraw/zinc/03/73/06/595037306.db2.gz HMIDFGMDSNRGEG-CQSZACIVSA-N 1 2 326.441 1.078 20 30 EDEDLO C=C[C@@H](C)ONC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000845638470 595037309 /nfs/dbraw/zinc/03/73/09/595037309.db2.gz HMIDFGMDSNRGEG-CQSZACIVSA-N 1 2 326.441 1.078 20 30 EDEDLO Nc1ccc2c([nH+]1)CCCC2=NNS(=O)(=O)Cc1ccccc1 ZINC000834944126 595241746 /nfs/dbraw/zinc/24/17/46/595241746.db2.gz LSWOUHMOJISMEV-UHFFFAOYSA-N 1 2 330.413 1.824 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](CC3(Br)CC3)CC2)c1C#N ZINC000846870557 595329506 /nfs/dbraw/zinc/32/95/06/595329506.db2.gz ZYOALGKGQJWWDI-UHFFFAOYSA-N 1 2 338.253 1.650 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000847031539 595353365 /nfs/dbraw/zinc/35/33/65/595353365.db2.gz UAOGXMRYFDWLOS-NSHDSACASA-N 1 2 331.328 1.607 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000847031539 595353368 /nfs/dbraw/zinc/35/33/68/595353368.db2.gz UAOGXMRYFDWLOS-NSHDSACASA-N 1 2 331.328 1.607 20 30 EDEDLO COc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnc1Br ZINC000844528318 595355200 /nfs/dbraw/zinc/35/52/00/595355200.db2.gz UNEXCDWMCZGZPR-CYBMUJFWSA-N 1 2 341.209 1.426 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2(c3ccc(C)cc3)CCOCC2)CC1 ZINC000112920449 595569336 /nfs/dbraw/zinc/56/93/36/595569336.db2.gz VXZXBRVWUUPYSF-UHFFFAOYSA-N 1 2 326.440 1.821 20 30 EDEDLO COCC(CC1CCOCC1)N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000853339343 595739097 /nfs/dbraw/zinc/73/90/97/595739097.db2.gz MRVLAIBKSUJRJJ-UHFFFAOYSA-N 1 2 330.392 1.893 20 30 EDEDLO NC(=NOCc1cccnc1N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000853658145 595848329 /nfs/dbraw/zinc/84/83/29/595848329.db2.gz MXPVISSGDJNPGR-UHFFFAOYSA-N 1 2 341.415 1.333 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)OCc2ccccc2C)CC1 ZINC000858995513 595943824 /nfs/dbraw/zinc/94/38/24/595943824.db2.gz SUJURFNHOCXXMK-UHFFFAOYSA-N 1 2 343.427 1.389 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)OCc2ccccc2C)CC1 ZINC000858995513 595943826 /nfs/dbraw/zinc/94/38/26/595943826.db2.gz SUJURFNHOCXXMK-UHFFFAOYSA-N 1 2 343.427 1.389 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000854078473 595969771 /nfs/dbraw/zinc/96/97/71/595969771.db2.gz CLMUOKIBECDTTH-GFCCVEGCSA-N 1 2 332.404 1.254 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000854078473 595969772 /nfs/dbraw/zinc/96/97/72/595969772.db2.gz CLMUOKIBECDTTH-GFCCVEGCSA-N 1 2 332.404 1.254 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000859324294 596051486 /nfs/dbraw/zinc/05/14/86/596051486.db2.gz JWKZUQSPPSMYOD-CQSZACIVSA-N 1 2 329.400 1.643 20 30 EDEDLO C#C[C@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)C1CCOCC1 ZINC000852167228 596067412 /nfs/dbraw/zinc/06/74/12/596067412.db2.gz XOYMYMHVAYHFGS-KRWDZBQOSA-N 1 2 340.427 1.913 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC3=C(CCC(=O)N3)C2)C1=O ZINC000852297708 596115723 /nfs/dbraw/zinc/11/57/23/596115723.db2.gz MLOLBPCJUKNPIJ-AWEZNQCLSA-N 1 2 342.424 1.595 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC3=C(CCC(=O)N3)C2)C1=O ZINC000852297708 596115724 /nfs/dbraw/zinc/11/57/24/596115724.db2.gz MLOLBPCJUKNPIJ-AWEZNQCLSA-N 1 2 342.424 1.595 20 30 EDEDLO C#CC[N@H+](C)CCCNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000861837426 596119265 /nfs/dbraw/zinc/11/92/65/596119265.db2.gz DGYPVDKTMQEOJA-UHFFFAOYSA-N 1 2 345.321 1.143 20 30 EDEDLO C#CC[N@@H+](C)CCCNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000861837426 596119268 /nfs/dbraw/zinc/11/92/68/596119268.db2.gz DGYPVDKTMQEOJA-UHFFFAOYSA-N 1 2 345.321 1.143 20 30 EDEDLO N#Cc1sccc1N1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000852342527 596131386 /nfs/dbraw/zinc/13/13/86/596131386.db2.gz FYDSOBMVAWWKOI-CYBMUJFWSA-N 1 2 332.429 1.725 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852430465 596155788 /nfs/dbraw/zinc/15/57/88/596155788.db2.gz HPRJDUVKEQRNBS-JSGCOSHPSA-N 1 2 328.372 1.412 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852430465 596155789 /nfs/dbraw/zinc/15/57/89/596155789.db2.gz HPRJDUVKEQRNBS-JSGCOSHPSA-N 1 2 328.372 1.412 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000852680533 596226526 /nfs/dbraw/zinc/22/65/26/596226526.db2.gz XEYBNNREPIOUFZ-MAUKXSAKSA-N 1 2 341.411 1.717 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000852680533 596226528 /nfs/dbraw/zinc/22/65/28/596226528.db2.gz XEYBNNREPIOUFZ-MAUKXSAKSA-N 1 2 341.411 1.717 20 30 EDEDLO C[C@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@@]1(C)CO ZINC000852704442 596230491 /nfs/dbraw/zinc/23/04/91/596230491.db2.gz YIBKDODLGZJMRY-UGSOOPFHSA-N 1 2 326.400 1.370 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@@]1(C)CO ZINC000852704442 596230492 /nfs/dbraw/zinc/23/04/92/596230492.db2.gz YIBKDODLGZJMRY-UGSOOPFHSA-N 1 2 326.400 1.370 20 30 EDEDLO C#Cc1ccc(CNC(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000868661284 596262788 /nfs/dbraw/zinc/26/27/88/596262788.db2.gz IXUKFAKMLNJQHT-UHFFFAOYSA-N 1 2 349.438 1.528 20 30 EDEDLO CO[C@@H]1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)Cc3ccc[nH+]c3N2C1 ZINC000870539172 596276649 /nfs/dbraw/zinc/27/66/49/596276649.db2.gz XSEPVLATMIETHX-HUUCEWRRSA-N 1 2 337.383 1.531 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCN(C)c2[nH+]cccc2C1)C1CCOCC1 ZINC000868783048 596304241 /nfs/dbraw/zinc/30/42/41/596304241.db2.gz ICOOGWCTDJXYJM-MRXNPFEDSA-N 1 2 328.416 1.471 20 30 EDEDLO CCOCC[NH+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000866765185 596330243 /nfs/dbraw/zinc/33/02/43/596330243.db2.gz VKUWAMLRVFHJSM-UHFFFAOYSA-N 1 2 341.408 1.040 20 30 EDEDLO C#CCOc1ccc(C[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000123340781 596368086 /nfs/dbraw/zinc/36/80/86/596368086.db2.gz VNHGCJNKCXNMNQ-MRXNPFEDSA-N 1 2 341.455 1.483 20 30 EDEDLO C#CCOc1ccc(CN2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000123340781 596368092 /nfs/dbraw/zinc/36/80/92/596368092.db2.gz VNHGCJNKCXNMNQ-MRXNPFEDSA-N 1 2 341.455 1.483 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000865091341 596471328 /nfs/dbraw/zinc/47/13/28/596471328.db2.gz WHESLZQJINDMIL-LSDHHAIUSA-N 1 2 342.434 1.656 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000865091341 596471330 /nfs/dbraw/zinc/47/13/30/596471330.db2.gz WHESLZQJINDMIL-LSDHHAIUSA-N 1 2 342.434 1.656 20 30 EDEDLO N#CCCCOc1cccnc1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865122288 596484530 /nfs/dbraw/zinc/48/45/30/596484530.db2.gz WIIDXTVKUWQYME-XQRVVYSFSA-N 1 2 330.388 1.591 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000867712629 596509536 /nfs/dbraw/zinc/50/95/36/596509536.db2.gz FOTRXBUJFVRDTJ-CQSZACIVSA-N 1 2 343.399 1.718 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867712629 596509537 /nfs/dbraw/zinc/50/95/37/596509537.db2.gz FOTRXBUJFVRDTJ-CQSZACIVSA-N 1 2 343.399 1.718 20 30 EDEDLO N#C[C@H]1CN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CCN1C1CC1 ZINC000865735967 596663825 /nfs/dbraw/zinc/66/38/25/596663825.db2.gz CDPXDRCFZQILKU-HNNXBMFYSA-N 1 2 327.363 1.215 20 30 EDEDLO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1O ZINC000866253561 596838336 /nfs/dbraw/zinc/83/83/36/596838336.db2.gz KQUMBSIGQWZPLT-RHSMWYFYSA-N 1 2 344.459 1.857 20 30 EDEDLO C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1O ZINC000866253561 596838340 /nfs/dbraw/zinc/83/83/40/596838340.db2.gz KQUMBSIGQWZPLT-RHSMWYFYSA-N 1 2 344.459 1.857 20 30 EDEDLO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1[O-] ZINC000866253561 596838342 /nfs/dbraw/zinc/83/83/42/596838342.db2.gz KQUMBSIGQWZPLT-RHSMWYFYSA-N 1 2 344.459 1.857 20 30 EDEDLO C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(C#N)c1[O-] ZINC000866253561 596838345 /nfs/dbraw/zinc/83/83/45/596838345.db2.gz KQUMBSIGQWZPLT-RHSMWYFYSA-N 1 2 344.459 1.857 20 30 EDEDLO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1O ZINC000866253559 596838434 /nfs/dbraw/zinc/83/84/34/596838434.db2.gz KQUMBSIGQWZPLT-PBHICJAKSA-N 1 2 344.459 1.857 20 30 EDEDLO C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1O ZINC000866253559 596838437 /nfs/dbraw/zinc/83/84/37/596838437.db2.gz KQUMBSIGQWZPLT-PBHICJAKSA-N 1 2 344.459 1.857 20 30 EDEDLO C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1[O-] ZINC000866253559 596838440 /nfs/dbraw/zinc/83/84/40/596838440.db2.gz KQUMBSIGQWZPLT-PBHICJAKSA-N 1 2 344.459 1.857 20 30 EDEDLO C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1[O-] ZINC000866253559 596838442 /nfs/dbraw/zinc/83/84/42/596838442.db2.gz KQUMBSIGQWZPLT-PBHICJAKSA-N 1 2 344.459 1.857 20 30 EDEDLO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc(C#N)c1O ZINC000866251781 596838578 /nfs/dbraw/zinc/83/85/78/596838578.db2.gz RCNQBTATKWPFMT-GFCCVEGCSA-N 1 2 337.445 1.586 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNCc1ncc(Br)s1 ZINC000872239452 596849730 /nfs/dbraw/zinc/84/97/30/596849730.db2.gz IJQZAMSWCZYSBR-SECBINFHSA-N 1 2 333.255 1.202 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNCc1ncc(Br)s1 ZINC000872239452 596849732 /nfs/dbraw/zinc/84/97/32/596849732.db2.gz IJQZAMSWCZYSBR-SECBINFHSA-N 1 2 333.255 1.202 20 30 EDEDLO COCCC(=O)N1CCC([NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866306437 596852762 /nfs/dbraw/zinc/85/27/62/596852762.db2.gz HMHQUNGFMRNIPF-CYBMUJFWSA-N 1 2 331.416 1.942 20 30 EDEDLO Oc1cccc(/C=N/C[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c1O ZINC000864346172 596862251 /nfs/dbraw/zinc/86/22/51/596862251.db2.gz PSXKXYZCGHVFKO-OVEPSTSESA-N 1 2 327.384 1.813 20 30 EDEDLO Oc1cccc(/C=N/C[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c1O ZINC000864346172 596862252 /nfs/dbraw/zinc/86/22/52/596862252.db2.gz PSXKXYZCGHVFKO-OVEPSTSESA-N 1 2 327.384 1.813 20 30 EDEDLO C(=NN[C@@H]1CCSC1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872374058 596896245 /nfs/dbraw/zinc/89/62/45/596896245.db2.gz QVKCXPUVESWSLH-MRXNPFEDSA-N 1 2 335.473 1.827 20 30 EDEDLO CC1(C)CC(=O)N(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000872728930 597049224 /nfs/dbraw/zinc/04/92/24/597049224.db2.gz FVPOSEXSFNGREY-UHFFFAOYSA-N 1 2 326.400 1.423 20 30 EDEDLO N#CCCN1CC[NH+](CN2C[C@H](Cc3ccccc3)CC2=O)CC1 ZINC000872733148 597050600 /nfs/dbraw/zinc/05/06/00/597050600.db2.gz RUTGDWAJMBFQKE-GOSISDBHSA-N 1 2 326.444 1.566 20 30 EDEDLO COC(=O)c1ccc2c(cnn2C[NH+]2CCN(CCC#N)CC2)c1 ZINC000872734632 597051797 /nfs/dbraw/zinc/05/17/97/597051797.db2.gz QKHIWFLRYIKIHT-UHFFFAOYSA-N 1 2 327.388 1.312 20 30 EDEDLO C=CCc1cc(OC)cc(C[NH+]2CCN([S@](C)(=N)=O)CC2)c1O ZINC000872797034 597074245 /nfs/dbraw/zinc/07/42/45/597074245.db2.gz OLVSCGRRBIXOIL-QHCPKHFHSA-N 1 2 339.461 1.838 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000876441122 597206377 /nfs/dbraw/zinc/20/63/77/597206377.db2.gz RREZDUMVHBCWPO-GPMSIDNRSA-N 1 2 349.475 1.093 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000876441122 597206380 /nfs/dbraw/zinc/20/63/80/597206380.db2.gz RREZDUMVHBCWPO-GPMSIDNRSA-N 1 2 349.475 1.093 20 30 EDEDLO N#Cc1ccc([C@@H](O)C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1 ZINC000874891032 597211429 /nfs/dbraw/zinc/21/14/29/597211429.db2.gz FWNKSQSVIRDBSF-ZWKOTPCHSA-N 1 2 339.370 1.904 20 30 EDEDLO CCCCCCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000874989503 597232879 /nfs/dbraw/zinc/23/28/79/597232879.db2.gz CLBWCMGXJFARGI-UHFFFAOYSA-N 1 2 327.469 1.300 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000876557675 597240234 /nfs/dbraw/zinc/24/02/34/597240234.db2.gz CMQCYZIXZZIDLU-UHFFFAOYSA-N 1 2 341.459 1.958 20 30 EDEDLO Cc1nccn1CCCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876770784 597332335 /nfs/dbraw/zinc/33/23/35/597332335.db2.gz KGGCGZWBRUHJJT-SFHVURJKSA-N 1 2 337.427 1.847 20 30 EDEDLO CO[C@H]1C[C@H]2C[N@H+](Cc3cccc(C#N)n3)Cc3cccnc3N2C1 ZINC000877692118 597547763 /nfs/dbraw/zinc/54/77/63/597547763.db2.gz SRQKBSCMWYYGGZ-ROUUACIJSA-N 1 2 335.411 1.958 20 30 EDEDLO CO[C@H]1C[C@H]2C[N@@H+](Cc3cccc(C#N)n3)Cc3cccnc3N2C1 ZINC000877692118 597547764 /nfs/dbraw/zinc/54/77/64/597547764.db2.gz SRQKBSCMWYYGGZ-ROUUACIJSA-N 1 2 335.411 1.958 20 30 EDEDLO C=CCOc1c(Cl)cc(C[N@H+](C)CCS(N)(=O)=O)cc1OC ZINC000877825804 597560321 /nfs/dbraw/zinc/56/03/21/597560321.db2.gz DANHCJZHMQSKIQ-UHFFFAOYSA-N 1 2 348.852 1.634 20 30 EDEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)CCS(N)(=O)=O)cc1OC ZINC000877825804 597560322 /nfs/dbraw/zinc/56/03/22/597560322.db2.gz DANHCJZHMQSKIQ-UHFFFAOYSA-N 1 2 348.852 1.634 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nccn1CC(F)F ZINC000878159662 597582986 /nfs/dbraw/zinc/58/29/86/597582986.db2.gz QSRZEKNWBAGEFW-UHFFFAOYSA-N 1 2 327.379 1.196 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1)C1CC1 ZINC000879497705 597608734 /nfs/dbraw/zinc/60/87/34/597608734.db2.gz GJFZLDDFJCSJLI-APWZRJJASA-N 1 2 339.443 1.674 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1)C1CC1 ZINC000879497705 597608736 /nfs/dbraw/zinc/60/87/36/597608736.db2.gz GJFZLDDFJCSJLI-APWZRJJASA-N 1 2 339.443 1.674 20 30 EDEDLO C#CC1(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCC1 ZINC000883184376 597679923 /nfs/dbraw/zinc/67/99/23/597679923.db2.gz VIEGRNHQRZRWMW-KRWDZBQOSA-N 1 2 337.489 1.440 20 30 EDEDLO C#C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(C)(C)C ZINC000878765571 597704824 /nfs/dbraw/zinc/70/48/24/597704824.db2.gz MYGBAAOJKGGGNS-AWEZNQCLSA-N 1 2 333.436 1.385 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880063105 597827605 /nfs/dbraw/zinc/82/76/05/597827605.db2.gz UOMITPUCGNGBIQ-UTUOFQBUSA-N 1 2 333.354 1.979 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880063105 597827609 /nfs/dbraw/zinc/82/76/09/597827609.db2.gz UOMITPUCGNGBIQ-UTUOFQBUSA-N 1 2 333.354 1.979 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879371645 597903228 /nfs/dbraw/zinc/90/32/28/597903228.db2.gz UOFDSXGZYWPBNM-ZDUSSCGKSA-N 1 2 332.391 1.931 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879371645 597903231 /nfs/dbraw/zinc/90/32/31/597903231.db2.gz UOFDSXGZYWPBNM-ZDUSSCGKSA-N 1 2 332.391 1.931 20 30 EDEDLO CCOC1CC(CNc2ccc(C)nc2C#N)([NH+]2CCOCC2)C1 ZINC000882270770 597919922 /nfs/dbraw/zinc/91/99/22/597919922.db2.gz VPIURVVRDIEMIJ-UHFFFAOYSA-N 1 2 330.432 1.944 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1Br ZINC000884069305 597984899 /nfs/dbraw/zinc/98/48/99/597984899.db2.gz YTYLYBDTSHCMQC-LBPRGKRZSA-N 1 2 341.205 1.512 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000884110241 597997553 /nfs/dbraw/zinc/99/75/53/597997553.db2.gz DBNCBVROLIUETI-UXLLHSPISA-N 1 2 332.400 1.470 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(Cl)cc1OCC ZINC000884317703 598064205 /nfs/dbraw/zinc/06/42/05/598064205.db2.gz AMOMNIDJDLIYFJ-ZDUSSCGKSA-N 1 2 340.807 1.802 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](COC)c1ccc(F)c(F)c1 ZINC000884323508 598066757 /nfs/dbraw/zinc/06/67/57/598066757.db2.gz QRZODYQZBSQXGJ-KBPBESRZSA-N 1 2 342.342 1.215 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](N(C)c2ccccc2)C1 ZINC000884413800 598098035 /nfs/dbraw/zinc/09/80/35/598098035.db2.gz DMOFNRUUOFYACM-HOTGVXAUSA-N 1 2 331.416 1.170 20 30 EDEDLO C[C@@H](CNS(=O)(=O)Cc1csc(C#N)c1)C[NH+]1CCOCC1 ZINC000914136101 695145570 /nfs/dbraw/zinc/14/55/70/695145570.db2.gz IZKHYAWTHAHLCM-LBPRGKRZSA-N 1 2 343.474 1.007 20 30 EDEDLO N#CCN[C@@H]1CCC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC000992689060 695211930 /nfs/dbraw/zinc/21/19/30/695211930.db2.gz HJODUVDYLDCEGU-DJIMGWMZSA-N 1 2 341.459 1.502 20 30 EDEDLO N#Cc1cccnc1N[C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001060556638 695989676 /nfs/dbraw/zinc/98/96/76/695989676.db2.gz HDAUWKPQBOUUIE-NUEKZKHPSA-N 1 2 336.399 1.568 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc3n[nH]nc3c2)[C@H]1C ZINC000993426221 696107131 /nfs/dbraw/zinc/10/71/31/696107131.db2.gz QFBKEIJVENJNBB-PWSUYJOCSA-N 1 2 334.811 1.688 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc3n[nH]nc3c2)[C@H]1C ZINC000993426221 696107132 /nfs/dbraw/zinc/10/71/32/696107132.db2.gz QFBKEIJVENJNBB-PWSUYJOCSA-N 1 2 334.811 1.688 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H](O)[C@H](C)c3ccccc3)C2)cn1 ZINC001031278767 696107892 /nfs/dbraw/zinc/10/78/92/696107892.db2.gz XDZOUTGQCMHRBC-QRWLVFNGSA-N 1 2 349.434 1.642 20 30 EDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H]1C ZINC000993573245 696227351 /nfs/dbraw/zinc/22/73/51/696227351.db2.gz SVPHIXQFQIDJSN-WBVHZDCISA-N 1 2 346.475 1.367 20 30 EDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H]1C ZINC000993573245 696227352 /nfs/dbraw/zinc/22/73/52/696227352.db2.gz SVPHIXQFQIDJSN-WBVHZDCISA-N 1 2 346.475 1.367 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cnon2)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000994036148 696501484 /nfs/dbraw/zinc/50/14/84/696501484.db2.gz GLIGGJVKNPFJAK-ABAIWWIYSA-N 1 2 343.362 1.863 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cnon2)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000994036148 696501486 /nfs/dbraw/zinc/50/14/86/696501486.db2.gz GLIGGJVKNPFJAK-ABAIWWIYSA-N 1 2 343.362 1.863 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C)C1 ZINC000939998622 700094285 /nfs/dbraw/zinc/09/42/85/700094285.db2.gz XLUCSFCYIXBFLX-IXYNUQLISA-N 1 2 342.443 1.833 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C)C1 ZINC000939998622 700094287 /nfs/dbraw/zinc/09/42/87/700094287.db2.gz XLUCSFCYIXBFLX-IXYNUQLISA-N 1 2 342.443 1.833 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000994177350 696562830 /nfs/dbraw/zinc/56/28/30/696562830.db2.gz MJYIFMGBGVTFFE-WBVHZDCISA-N 1 2 337.427 1.368 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000994177350 696562833 /nfs/dbraw/zinc/56/28/33/696562833.db2.gz MJYIFMGBGVTFFE-WBVHZDCISA-N 1 2 337.427 1.368 20 30 EDEDLO N#Cc1ccc(NCCNC(=O)NCCNc2cccc[nH+]2)nc1 ZINC000915917046 696601425 /nfs/dbraw/zinc/60/14/25/696601425.db2.gz FCDPGNPKZLZBJH-UHFFFAOYSA-N 1 2 325.376 1.171 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2nsc(N(C)C)n2)CC1 ZINC000940009195 700111009 /nfs/dbraw/zinc/11/10/09/700111009.db2.gz BWGTZQWBYXATFR-NSHDSACASA-N 1 2 336.465 1.234 20 30 EDEDLO C#CCNC(=O)c1cccc(-c2noc([C@H]3C[N@@H+](C)C[C@H](C)O3)n2)c1 ZINC000923864096 697095127 /nfs/dbraw/zinc/09/51/27/697095127.db2.gz MKYWYBLWHLYHBA-SWLSCSKDSA-N 1 2 340.383 1.491 20 30 EDEDLO C#CCNC(=O)c1cccc(-c2noc([C@H]3C[N@H+](C)C[C@H](C)O3)n2)c1 ZINC000923864096 697095130 /nfs/dbraw/zinc/09/51/30/697095130.db2.gz MKYWYBLWHLYHBA-SWLSCSKDSA-N 1 2 340.383 1.491 20 30 EDEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060713609 697148328 /nfs/dbraw/zinc/14/83/28/697148328.db2.gz SOECUBALIRDUOG-WKILWMFISA-N 1 2 344.459 1.937 20 30 EDEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)C[C@@H](C)C#N)cc2=O ZINC000064249280 697201386 /nfs/dbraw/zinc/20/13/86/697201386.db2.gz FCQFTXXOLUMHAZ-NSHDSACASA-N 1 2 331.376 1.593 20 30 EDEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)C[C@@H](C)C#N)cc2=O ZINC000064249280 697201387 /nfs/dbraw/zinc/20/13/87/697201387.db2.gz FCQFTXXOLUMHAZ-NSHDSACASA-N 1 2 331.376 1.593 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)C3=COCCC3)C2)c(F)c1 ZINC001031573385 697267793 /nfs/dbraw/zinc/26/77/93/697267793.db2.gz ZVTBSWZWXYGGQC-UHFFFAOYSA-N 1 2 329.375 1.940 20 30 EDEDLO CC[N@H+]1[C@H](C)CN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1C ZINC000919581380 697300163 /nfs/dbraw/zinc/30/01/63/697300163.db2.gz XWJGULPZEBCWEC-TXEJJXNPSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@@H+]1[C@H](C)CN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1C ZINC000919581380 697300165 /nfs/dbraw/zinc/30/01/65/697300165.db2.gz XWJGULPZEBCWEC-TXEJJXNPSA-N 1 2 325.409 1.801 20 30 EDEDLO C[C@H](CC(=O)N[C@@H]1CC[C@@H](CNC(=O)[C@@H](C)C#N)CC1)n1cc[nH+]c1 ZINC001060736089 697332271 /nfs/dbraw/zinc/33/22/71/697332271.db2.gz VICWOIVKVYHIEJ-FZKCQIBNSA-N 1 2 345.447 1.785 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1 ZINC001031693472 697545580 /nfs/dbraw/zinc/54/55/80/697545580.db2.gz KGYOEIQZCYRLQP-AWEZNQCLSA-N 1 2 341.883 1.824 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc3cc(F)ccc3o2)CC1 ZINC000921437053 697612740 /nfs/dbraw/zinc/61/27/40/697612740.db2.gz KSPFUQKOLJKERB-UHFFFAOYSA-N 1 2 336.388 1.948 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)on3)C[C@@H]2C)nn1 ZINC000943480758 698388446 /nfs/dbraw/zinc/38/84/46/698388446.db2.gz GFEWJNWTXUGECK-WFASDCNBSA-N 1 2 344.419 1.401 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)on3)C[C@@H]2C)nn1 ZINC000943480758 698388451 /nfs/dbraw/zinc/38/84/51/698388451.db2.gz GFEWJNWTXUGECK-WFASDCNBSA-N 1 2 344.419 1.401 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC000938698075 698519643 /nfs/dbraw/zinc/51/96/43/698519643.db2.gz JMYBVPAUPWRFDC-CABCVRRESA-N 1 2 330.432 1.908 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000180753176 699006813 /nfs/dbraw/zinc/00/68/13/699006813.db2.gz HBXBGGXCLRMYFM-CQSZACIVSA-N 1 2 345.509 1.539 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000939009892 699053855 /nfs/dbraw/zinc/05/38/55/699053855.db2.gz JGNRBKMXEJJJHQ-RRFJBIMHSA-N 1 2 344.459 1.795 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)C1 ZINC000941537039 701574507 /nfs/dbraw/zinc/57/45/07/701574507.db2.gz HOHUHCPLCGFGQR-UHFFFAOYSA-N 1 2 336.439 1.633 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C4CC4)no3)CC2)C1 ZINC000941590663 701585669 /nfs/dbraw/zinc/58/56/69/701585669.db2.gz ULSAXWKKOQUELQ-UHFFFAOYSA-N 1 2 328.416 1.017 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4ccccn4c3)CC2)C1 ZINC000941593413 701586602 /nfs/dbraw/zinc/58/66/02/701586602.db2.gz POVPDCZYXNDGDP-UHFFFAOYSA-N 1 2 336.439 1.405 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3csc(C(C)(C)C)n3)CC2)C1 ZINC000941605772 701594313 /nfs/dbraw/zinc/59/43/13/701594313.db2.gz YNKODQFXZJGYRM-UHFFFAOYSA-N 1 2 346.500 1.516 20 30 EDEDLO C[C@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC000939406369 699561076 /nfs/dbraw/zinc/56/10/76/699561076.db2.gz OLKBOEZNSPRKMR-CHWSQXEVSA-N 1 2 325.372 1.167 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC000939406372 699561089 /nfs/dbraw/zinc/56/10/89/699561089.db2.gz OLKBOEZNSPRKMR-STQMWFEESA-N 1 2 325.372 1.167 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3ccc(C)cc3)CC2)C1 ZINC000941641202 701608560 /nfs/dbraw/zinc/60/85/60/701608560.db2.gz ZKNDCZUDMOJCBV-KRWDZBQOSA-N 1 2 325.456 1.560 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC000939618602 699755004 /nfs/dbraw/zinc/75/50/04/699755004.db2.gz YILXXHJQMAIITI-SUMWQHHRSA-N 1 2 338.411 1.539 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000939616605 699767359 /nfs/dbraw/zinc/76/73/59/699767359.db2.gz QJSHXQGGQKVMAW-SUMWQHHRSA-N 1 2 338.411 1.539 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CCN(C2C[NH+](CC#CC)C2)CC1 ZINC000941653145 701612350 /nfs/dbraw/zinc/61/23/50/701612350.db2.gz DYMLVTAUTHDETP-UHFFFAOYSA-N 1 2 335.451 1.062 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@]3(C)CC=C(C)CC3)CC2)C1 ZINC000941670269 701613039 /nfs/dbraw/zinc/61/30/39/701613039.db2.gz MIESXOJHZNBRGI-FQEVSTJZSA-N 1 2 329.488 1.975 20 30 EDEDLO Cc1nnc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)o1 ZINC000995703347 700476589 /nfs/dbraw/zinc/47/65/89/700476589.db2.gz DCUFAWWJTOFACH-ZDUSSCGKSA-N 1 2 328.376 1.218 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000940739664 700879501 /nfs/dbraw/zinc/87/95/01/700879501.db2.gz LYVVLKOFXXVOCE-OAGGEKHMSA-N 1 2 346.431 1.041 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000940739664 700879503 /nfs/dbraw/zinc/87/95/03/700879503.db2.gz LYVVLKOFXXVOCE-OAGGEKHMSA-N 1 2 346.431 1.041 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000940973870 701016040 /nfs/dbraw/zinc/01/60/40/701016040.db2.gz YIJNNLDGBOQBHT-DLBZAZTESA-N 1 2 348.491 1.370 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000940973870 701016041 /nfs/dbraw/zinc/01/60/41/701016041.db2.gz YIJNNLDGBOQBHT-DLBZAZTESA-N 1 2 348.491 1.370 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCN(C2C[NH+]([C@@H](C)c3ccccc3F)C2)CC1 ZINC000941338744 701477512 /nfs/dbraw/zinc/47/75/12/701477512.db2.gz HHMGLCOWUBZDOD-CABCVRRESA-N 1 2 344.434 1.875 20 30 EDEDLO Cc1nocc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031945834 701499215 /nfs/dbraw/zinc/49/92/15/701499215.db2.gz XYHBROFGAMYNBE-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC000941386308 701510677 /nfs/dbraw/zinc/51/06/77/701510677.db2.gz HKAKHUWTUJTSCN-CYBMUJFWSA-N 1 2 348.366 1.407 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)C1 ZINC000941408597 701521154 /nfs/dbraw/zinc/52/11/54/701521154.db2.gz MUWUHCMIMNIRQE-IAGOWNOFSA-N 1 2 343.496 1.622 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)noc3C(C)C)CC2)C1 ZINC000941444653 701536359 /nfs/dbraw/zinc/53/63/59/701536359.db2.gz SWIJSRXUXCUFKX-UHFFFAOYSA-N 1 2 344.459 1.572 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cccc(CC)c3)CC2)C1 ZINC000941463375 701545260 /nfs/dbraw/zinc/54/52/60/701545260.db2.gz TYSZYLCRYNPOAF-UHFFFAOYSA-N 1 2 325.456 1.253 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cscc3Cl)CC2)C1 ZINC000941447066 701545679 /nfs/dbraw/zinc/54/56/79/701545679.db2.gz MSZAQTQWIIQGGK-UHFFFAOYSA-N 1 2 337.876 1.867 20 30 EDEDLO Cc1noc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)n1 ZINC000941928283 702152738 /nfs/dbraw/zinc/15/27/38/702152738.db2.gz CXDCTIVPZICUIZ-GWCFXTLKSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1noc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)n1 ZINC000941928283 702152742 /nfs/dbraw/zinc/15/27/42/702152742.db2.gz CXDCTIVPZICUIZ-GWCFXTLKSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)s1 ZINC000941965226 702257768 /nfs/dbraw/zinc/25/77/68/702257768.db2.gz XAIOVUCBTJPHCL-YGRLFVJLSA-N 1 2 344.444 1.687 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)s1 ZINC000941965226 702257770 /nfs/dbraw/zinc/25/77/70/702257770.db2.gz XAIOVUCBTJPHCL-YGRLFVJLSA-N 1 2 344.444 1.687 20 30 EDEDLO Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031987542 702419312 /nfs/dbraw/zinc/41/93/12/702419312.db2.gz SGHTWPHKCFTKSD-RTBURBONSA-N 1 2 348.450 1.623 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000944235111 702595870 /nfs/dbraw/zinc/59/58/70/702595870.db2.gz ASRJZABNPMPSBJ-KEYYUXOJSA-N 1 2 346.431 1.041 20 30 EDEDLO N#CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccncn2)cc1 ZINC001032690213 706708259 /nfs/dbraw/zinc/70/82/59/706708259.db2.gz XNARRVZLBIIKDA-HOTGVXAUSA-N 1 2 349.394 1.478 20 30 EDEDLO N#CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccncn2)cc1 ZINC001032690213 706708262 /nfs/dbraw/zinc/70/82/62/706708262.db2.gz XNARRVZLBIIKDA-HOTGVXAUSA-N 1 2 349.394 1.478 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](C)C1 ZINC000942496386 702986177 /nfs/dbraw/zinc/98/61/77/702986177.db2.gz KPDFTFIEGKQLOL-CMPLNLGQSA-N 1 2 339.823 1.576 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@@H](C)C1 ZINC000942496386 702986179 /nfs/dbraw/zinc/98/61/79/702986179.db2.gz KPDFTFIEGKQLOL-CMPLNLGQSA-N 1 2 339.823 1.576 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2nccnc2N)cc1 ZINC001032321046 703034323 /nfs/dbraw/zinc/03/43/23/703034323.db2.gz DEECZCSAHNPWLV-GJZGRUSLSA-N 1 2 334.383 1.029 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2nccnc2N)cc1 ZINC001032321046 703034325 /nfs/dbraw/zinc/03/43/25/703034325.db2.gz DEECZCSAHNPWLV-GJZGRUSLSA-N 1 2 334.383 1.029 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3C)C[C@H]2C)CC1 ZINC000942599677 703115049 /nfs/dbraw/zinc/11/50/49/703115049.db2.gz CKGJXOCRNDCKNO-ZBFHGGJFSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3C)C[C@H]2C)CC1 ZINC000942599677 703115050 /nfs/dbraw/zinc/11/50/50/703115050.db2.gz CKGJXOCRNDCKNO-ZBFHGGJFSA-N 1 2 331.464 1.888 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccc(C)n3)C[C@H]2C)c1 ZINC000942616328 703130146 /nfs/dbraw/zinc/13/01/46/703130146.db2.gz KPIJNNHALIVFTH-RDTXWAMCSA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3nccc(C)n3)C[C@H]2C)c1 ZINC000942616328 703130148 /nfs/dbraw/zinc/13/01/48/703130148.db2.gz KPIJNNHALIVFTH-RDTXWAMCSA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nccc(C)n3)C[C@@H]2C)c1 ZINC000942616327 703130249 /nfs/dbraw/zinc/13/02/49/703130249.db2.gz KPIJNNHALIVFTH-KSSFIOAISA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nccc(C)n3)C[C@@H]2C)c1 ZINC000942616327 703130250 /nfs/dbraw/zinc/13/02/50/703130250.db2.gz KPIJNNHALIVFTH-KSSFIOAISA-N 1 2 349.438 1.802 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001032048028 703326859 /nfs/dbraw/zinc/32/68/59/703326859.db2.gz RKMUXKAOGWIBQM-KMFMINBZSA-N 1 2 330.432 1.567 20 30 EDEDLO C[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CCN(CC#N)CC1 ZINC000997094834 703334099 /nfs/dbraw/zinc/33/40/99/703334099.db2.gz ZPJHHJZDZMRQDB-CXAGYDPISA-N 1 2 344.463 1.530 20 30 EDEDLO C[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CCN(CC#N)CC1 ZINC000997094834 703334102 /nfs/dbraw/zinc/33/41/02/703334102.db2.gz ZPJHHJZDZMRQDB-CXAGYDPISA-N 1 2 344.463 1.530 20 30 EDEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)C1CCN(CC#N)CC1)C2 ZINC000997187312 703476245 /nfs/dbraw/zinc/47/62/45/703476245.db2.gz NTYNIEUBWGGBLW-DOMZBBRYSA-N 1 2 329.448 1.563 20 30 EDEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)C1CCN(CC#N)CC1)CC2 ZINC000997187312 703476247 /nfs/dbraw/zinc/47/62/47/703476247.db2.gz NTYNIEUBWGGBLW-DOMZBBRYSA-N 1 2 329.448 1.563 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@@H](C)C1 ZINC000942975717 703489455 /nfs/dbraw/zinc/48/94/55/703489455.db2.gz DCQVMXWVBOSVJJ-GWCFXTLKSA-N 1 2 339.237 1.825 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@@H](C)C1 ZINC000942975717 703489456 /nfs/dbraw/zinc/48/94/56/703489456.db2.gz DCQVMXWVBOSVJJ-GWCFXTLKSA-N 1 2 339.237 1.825 20 30 EDEDLO Cc1ncn(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032459305 703638966 /nfs/dbraw/zinc/63/89/66/703638966.db2.gz YRLSWNMBXDVQFW-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO Cc1ncn(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032459305 703638967 /nfs/dbraw/zinc/63/89/67/703638967.db2.gz YRLSWNMBXDVQFW-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000997556272 703828434 /nfs/dbraw/zinc/82/84/34/703828434.db2.gz IPOQXFYNCGOTKY-CVEARBPZSA-N 1 2 343.427 1.539 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C3CCN(CC#N)CC3)ccn12 ZINC000997587428 703875248 /nfs/dbraw/zinc/87/52/48/703875248.db2.gz ROMAPQDNROGHNE-AWEZNQCLSA-N 1 2 325.416 1.997 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)nc1 ZINC001061477057 704254499 /nfs/dbraw/zinc/25/44/99/704254499.db2.gz DCILARZGDPMLLN-RBSFLKMASA-N 1 2 336.399 1.565 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nc1 ZINC001061477057 704254502 /nfs/dbraw/zinc/25/45/02/704254502.db2.gz DCILARZGDPMLLN-RBSFLKMASA-N 1 2 336.399 1.565 20 30 EDEDLO N#Cc1cncc(N2CCC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001061478250 704269290 /nfs/dbraw/zinc/26/92/90/704269290.db2.gz SOVABBHMBBFZGZ-CQSZACIVSA-N 1 2 347.382 1.623 20 30 EDEDLO C=C1CCC(C(=O)NC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)CC1 ZINC000944758955 704614769 /nfs/dbraw/zinc/61/47/69/704614769.db2.gz IJMJPLCVAOXJPG-OAHLLOKOSA-N 1 2 346.431 1.042 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccccc2-n2ccnn2)C1 ZINC001032228333 704893591 /nfs/dbraw/zinc/89/35/91/704893591.db2.gz GIJIIFBNCYKSLX-UHFFFAOYSA-N 1 2 331.807 1.681 20 30 EDEDLO C[C@H]1CN(CC#N)CC[C@H]1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000945091550 705061312 /nfs/dbraw/zinc/06/13/12/705061312.db2.gz OJSAQTJHKZUGGO-DZGCQCFKSA-N 1 2 332.473 1.456 20 30 EDEDLO C[C@H]1CN(CC#N)CC[C@H]1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000945091550 705061317 /nfs/dbraw/zinc/06/13/17/705061317.db2.gz OJSAQTJHKZUGGO-DZGCQCFKSA-N 1 2 332.473 1.456 20 30 EDEDLO CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCCN(CC#N)CC1 ZINC000998050659 705244904 /nfs/dbraw/zinc/24/49/04/705244904.db2.gz IACMUDORELDMEE-HZPDHXFCSA-N 1 2 329.448 1.672 20 30 EDEDLO Cc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)n1 ZINC000995684312 705445906 /nfs/dbraw/zinc/44/59/06/705445906.db2.gz ABRSVWQRPOLKHU-IINYFYTJSA-N 1 2 342.403 1.779 20 30 EDEDLO C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)CCC(=O)N1 ZINC001032609561 705564536 /nfs/dbraw/zinc/56/45/36/705564536.db2.gz YTWZUINMJQXWOW-BXWFABGCSA-N 1 2 338.411 1.012 20 30 EDEDLO C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)CCC(=O)N1 ZINC001032609561 705564541 /nfs/dbraw/zinc/56/45/41/705564541.db2.gz YTWZUINMJQXWOW-BXWFABGCSA-N 1 2 338.411 1.012 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](C(F)(F)F)[C@H](NCC#N)C1 ZINC000998308051 705720161 /nfs/dbraw/zinc/72/01/61/705720161.db2.gz XQBKBBKVTUGSTP-QWHCGFSZSA-N 1 2 343.353 1.245 20 30 EDEDLO C=C1CCC(C(=O)NC2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000999109011 706536784 /nfs/dbraw/zinc/53/67/84/706536784.db2.gz YPYUOUUKFURUSU-OAHLLOKOSA-N 1 2 342.443 1.519 20 30 EDEDLO Cc1nc(N2CC[C@H](CNC(=O)c3cc(C#N)c[nH]3)C2)c(C)c(C)[nH+]1 ZINC001061570478 707308389 /nfs/dbraw/zinc/30/83/89/707308389.db2.gz DAPNKIDRVUCFIH-CQSZACIVSA-N 1 2 338.415 1.858 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2C[N@@H+](Cc3nnn(C)n3)C[C@H]2CC1 ZINC000946755089 707541647 /nfs/dbraw/zinc/54/16/47/707541647.db2.gz ISSHEVRNOQVZMN-RVKKMQEKSA-N 1 2 346.479 1.483 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@H]2C[N@H+](Cc3nnn(C)n3)C[C@H]2CC1 ZINC000946755089 707541651 /nfs/dbraw/zinc/54/16/51/707541651.db2.gz ISSHEVRNOQVZMN-RVKKMQEKSA-N 1 2 346.479 1.483 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001033431792 707864015 /nfs/dbraw/zinc/86/40/15/707864015.db2.gz ILJDZWJFBJRRAT-MJBXVCDLSA-N 1 2 336.461 1.470 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001033431792 707864016 /nfs/dbraw/zinc/86/40/16/707864016.db2.gz ILJDZWJFBJRRAT-MJBXVCDLSA-N 1 2 336.461 1.470 20 30 EDEDLO CN(C(=O)c1ccnnc1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033452488 707895753 /nfs/dbraw/zinc/89/57/53/707895753.db2.gz IHJAUTVYBUZCRE-GOSISDBHSA-N 1 2 338.386 1.814 20 30 EDEDLO CN(C(=O)c1ccnnc1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033452488 707895754 /nfs/dbraw/zinc/89/57/54/707895754.db2.gz IHJAUTVYBUZCRE-GOSISDBHSA-N 1 2 338.386 1.814 20 30 EDEDLO CC(C)C#CC(=O)N1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001060990103 708106566 /nfs/dbraw/zinc/10/65/66/708106566.db2.gz VOONHZICLAUCJU-UHFFFAOYSA-N 1 2 342.443 1.453 20 30 EDEDLO N#Cc1cnc(NC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c(F)c1 ZINC001060997973 708131974 /nfs/dbraw/zinc/13/19/74/708131974.db2.gz QQMWFJQEDWNBKM-NSHDSACASA-N 1 2 328.351 1.319 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CNc2ccc(C#N)nc2)C1 ZINC001061005080 708152667 /nfs/dbraw/zinc/15/26/67/708152667.db2.gz ZCDNSQYOWYJWRC-KGLIPLIRSA-N 1 2 338.415 1.816 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CNc2ccc(C#N)nc2)C1 ZINC001061005080 708152671 /nfs/dbraw/zinc/15/26/71/708152671.db2.gz ZCDNSQYOWYJWRC-KGLIPLIRSA-N 1 2 338.415 1.816 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)Nc1c(C)cccc1C ZINC001032819695 708295681 /nfs/dbraw/zinc/29/56/81/708295681.db2.gz PKTUOHOSBLSTDP-HOTGVXAUSA-N 1 2 325.412 1.550 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(=O)Nc1c(C)cccc1C ZINC001032819695 708295684 /nfs/dbraw/zinc/29/56/84/708295684.db2.gz PKTUOHOSBLSTDP-HOTGVXAUSA-N 1 2 325.412 1.550 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C2)nc1 ZINC001033595848 708300481 /nfs/dbraw/zinc/30/04/81/708300481.db2.gz HNFOGEAKCGTEHM-GOSISDBHSA-N 1 2 349.438 1.552 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)C2)nc1 ZINC001033595848 708300484 /nfs/dbraw/zinc/30/04/84/708300484.db2.gz HNFOGEAKCGTEHM-GOSISDBHSA-N 1 2 349.438 1.552 20 30 EDEDLO C=C1CCC(C(=O)NCC2CC[NH+](Cc3ncnn3C)CC2)CC1 ZINC001001798913 708312778 /nfs/dbraw/zinc/31/27/78/708312778.db2.gz WZDVHVUSJIEAQM-UHFFFAOYSA-N 1 2 331.464 1.890 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001033786474 708695475 /nfs/dbraw/zinc/69/54/75/708695475.db2.gz WBWSPMZBALEFES-CYBMUJFWSA-N 1 2 343.387 1.620 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001033786474 708695476 /nfs/dbraw/zinc/69/54/76/708695476.db2.gz WBWSPMZBALEFES-CYBMUJFWSA-N 1 2 343.387 1.620 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001033775932 708701872 /nfs/dbraw/zinc/70/18/72/708701872.db2.gz MAPMOXKZYMQJJD-VXGBXAGGSA-N 1 2 344.253 1.096 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001033775932 708701874 /nfs/dbraw/zinc/70/18/74/708701874.db2.gz MAPMOXKZYMQJJD-VXGBXAGGSA-N 1 2 344.253 1.096 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001033836235 708863777 /nfs/dbraw/zinc/86/37/77/708863777.db2.gz HLVONPJPMRDUCT-KWCYVHTRSA-N 1 2 327.856 1.576 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001033836235 708863780 /nfs/dbraw/zinc/86/37/80/708863780.db2.gz HLVONPJPMRDUCT-KWCYVHTRSA-N 1 2 327.856 1.576 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3n(n2)CCCO3)C1 ZINC001033894503 709010832 /nfs/dbraw/zinc/01/08/32/709010832.db2.gz ILRBUYRDIRPNMI-CYBMUJFWSA-N 1 2 338.839 1.955 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3n(n2)CCCO3)C1 ZINC001033894503 709010833 /nfs/dbraw/zinc/01/08/33/709010833.db2.gz ILRBUYRDIRPNMI-CYBMUJFWSA-N 1 2 338.839 1.955 20 30 EDEDLO Cc1ccc(C#N)c(N[C@@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001061093742 709011023 /nfs/dbraw/zinc/01/10/23/709011023.db2.gz BNTHSBJIPWVYTB-HZPDHXFCSA-N 1 2 338.415 1.998 20 30 EDEDLO CCN(C(=O)c1[nH]nnc1C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001033912707 709023724 /nfs/dbraw/zinc/02/37/24/709023724.db2.gz LCZAXHOPENORPK-MRXNPFEDSA-N 1 2 338.415 1.721 20 30 EDEDLO CCN(C(=O)c1[nH]nnc1C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033912707 709023726 /nfs/dbraw/zinc/02/37/26/709023726.db2.gz LCZAXHOPENORPK-MRXNPFEDSA-N 1 2 338.415 1.721 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H](Nc2cncc(C#N)n2)C1 ZINC001061095996 709035271 /nfs/dbraw/zinc/03/52/71/709035271.db2.gz PIPYIXWVZSOLGQ-QWHCGFSZSA-N 1 2 339.403 1.164 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H](Nc2ccncc2C#N)C1 ZINC001061099360 709079592 /nfs/dbraw/zinc/07/95/92/709079592.db2.gz VNZGMBYEGXYBCP-LSDHHAIUSA-N 1 2 338.415 1.489 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001034051973 709281087 /nfs/dbraw/zinc/28/10/87/709281087.db2.gz DSMXOTKKQKHANR-LSDHHAIUSA-N 1 2 327.856 1.673 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001034051973 709281088 /nfs/dbraw/zinc/28/10/88/709281088.db2.gz DSMXOTKKQKHANR-LSDHHAIUSA-N 1 2 327.856 1.673 20 30 EDEDLO N#Cc1cnc(N[C@@H]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c(F)c1 ZINC001061135122 709340342 /nfs/dbraw/zinc/34/03/42/709340342.db2.gz CUKSIRSNRCCGDC-CHWSQXEVSA-N 1 2 342.378 1.897 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H](NC(=O)c3cncs3)C2)C1=O ZINC001034121806 709385608 /nfs/dbraw/zinc/38/56/08/709385608.db2.gz FOHJYMQKORFIBS-ZIAGYGMSSA-N 1 2 348.472 1.514 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H](NC(=O)c3cncs3)C2)C1=O ZINC001034121806 709385610 /nfs/dbraw/zinc/38/56/10/709385610.db2.gz FOHJYMQKORFIBS-ZIAGYGMSSA-N 1 2 348.472 1.514 20 30 EDEDLO Cc1nonc1C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034165524 709439029 /nfs/dbraw/zinc/43/90/29/709439029.db2.gz XDBQTZFGKHKGNL-CYBMUJFWSA-N 1 2 328.376 1.362 20 30 EDEDLO Cc1nonc1C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034165524 709439030 /nfs/dbraw/zinc/43/90/30/709439030.db2.gz XDBQTZFGKHKGNL-CYBMUJFWSA-N 1 2 328.376 1.362 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001061745508 709905448 /nfs/dbraw/zinc/90/54/48/709905448.db2.gz ZRHFCLSYZGVNEW-ZFWWWQNUSA-N 1 2 348.447 1.207 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](CCS(C)(=O)=O)C2)C1 ZINC001034388697 709918137 /nfs/dbraw/zinc/91/81/37/709918137.db2.gz IWHAJPFARQBABN-CQSZACIVSA-N 1 2 328.478 1.358 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](CCS(C)(=O)=O)C2)C1 ZINC001034388697 709918140 /nfs/dbraw/zinc/91/81/40/709918140.db2.gz IWHAJPFARQBABN-CQSZACIVSA-N 1 2 328.478 1.358 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)C1 ZINC001034477034 710084273 /nfs/dbraw/zinc/08/42/73/710084273.db2.gz IRBFPDLUQHIIOD-GXTWGEPZSA-N 1 2 327.856 1.578 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)C1 ZINC001034477034 710084278 /nfs/dbraw/zinc/08/42/78/710084278.db2.gz IRBFPDLUQHIIOD-GXTWGEPZSA-N 1 2 327.856 1.578 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001034559699 710236878 /nfs/dbraw/zinc/23/68/78/710236878.db2.gz SMZPZLHAGRNSRS-ZDUSSCGKSA-N 1 2 336.823 1.517 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001034559699 710236882 /nfs/dbraw/zinc/23/68/82/710236882.db2.gz SMZPZLHAGRNSRS-ZDUSSCGKSA-N 1 2 336.823 1.517 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC001003851775 710710204 /nfs/dbraw/zinc/71/02/04/710710204.db2.gz OUDZVPSWFOCFGP-WCQYABFASA-N 1 2 331.254 1.901 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCOC2)C1 ZINC001032965814 711019415 /nfs/dbraw/zinc/01/94/15/711019415.db2.gz DOZIJIUKKTYZAJ-STQMWFEESA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCOC2)C1 ZINC001032965814 711019419 /nfs/dbraw/zinc/01/94/19/711019419.db2.gz DOZIJIUKKTYZAJ-STQMWFEESA-N 1 2 331.254 1.854 20 30 EDEDLO COc1nscc1C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001033011674 711242099 /nfs/dbraw/zinc/24/20/99/711242099.db2.gz OYZLZLQXVKJDOA-CYBMUJFWSA-N 1 2 345.428 1.698 20 30 EDEDLO COc1nscc1C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001033011674 711242101 /nfs/dbraw/zinc/24/21/01/711242101.db2.gz OYZLZLQXVKJDOA-CYBMUJFWSA-N 1 2 345.428 1.698 20 30 EDEDLO CC(C)CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C)C#N)n1 ZINC001034880225 711279634 /nfs/dbraw/zinc/27/96/34/711279634.db2.gz UTPYICJZGBXATL-ZIAGYGMSSA-N 1 2 333.436 1.898 20 30 EDEDLO Cc1csc(C[N@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001033020450 711311131 /nfs/dbraw/zinc/31/11/31/711311131.db2.gz QFOMNRMQVWYMPX-CQSZACIVSA-N 1 2 329.429 1.998 20 30 EDEDLO Cc1csc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001033020450 711311135 /nfs/dbraw/zinc/31/11/35/711311135.db2.gz QFOMNRMQVWYMPX-CQSZACIVSA-N 1 2 329.429 1.998 20 30 EDEDLO Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001033022809 711361044 /nfs/dbraw/zinc/36/10/44/711361044.db2.gz KJBRGIDUSSGGKL-CQSZACIVSA-N 1 2 329.429 1.998 20 30 EDEDLO Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)s1 ZINC001033022809 711361048 /nfs/dbraw/zinc/36/10/48/711361048.db2.gz KJBRGIDUSSGGKL-CQSZACIVSA-N 1 2 329.429 1.998 20 30 EDEDLO C=C1CCC(C(=O)NCC2CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001004112772 711476157 /nfs/dbraw/zinc/47/61/57/711476157.db2.gz BQCSVDMZMCISHK-UHFFFAOYSA-N 1 2 330.432 1.594 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]2CNC(=O)c2cccc3[nH+]ccn32)nn1 ZINC001061412470 711593622 /nfs/dbraw/zinc/59/36/22/711593622.db2.gz AXFZGFCLVMVGBO-AWEZNQCLSA-N 1 2 347.382 1.395 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001004492791 711876661 /nfs/dbraw/zinc/87/66/61/711876661.db2.gz ITIOMRMMRCJZNM-UFYUIRFASA-N 1 2 329.444 1.636 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001004492791 711876663 /nfs/dbraw/zinc/87/66/63/711876663.db2.gz ITIOMRMMRCJZNM-UFYUIRFASA-N 1 2 329.444 1.636 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2ccc(=O)[nH]c2)CC1 ZINC001004522473 711921281 /nfs/dbraw/zinc/92/12/81/711921281.db2.gz NRRDXCFKGAUVTO-QGZVFWFLSA-N 1 2 342.443 1.946 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2ccc(=O)[nH]c2)CC1 ZINC001004522473 711921282 /nfs/dbraw/zinc/92/12/82/711921282.db2.gz NRRDXCFKGAUVTO-QGZVFWFLSA-N 1 2 342.443 1.946 20 30 EDEDLO CN(C)c1ccc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)nn1 ZINC001004607982 712060696 /nfs/dbraw/zinc/06/06/96/712060696.db2.gz WLOCISKTBUHWJE-INIZCTEOSA-N 1 2 342.447 1.383 20 30 EDEDLO CN(C)c1ccc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)nn1 ZINC001004607982 712060698 /nfs/dbraw/zinc/06/06/98/712060698.db2.gz WLOCISKTBUHWJE-INIZCTEOSA-N 1 2 342.447 1.383 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC001004622970 712069621 /nfs/dbraw/zinc/06/96/21/712069621.db2.gz OQVRIERGCGMMIG-KRWDZBQOSA-N 1 2 338.415 1.798 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC001004622970 712069624 /nfs/dbraw/zinc/06/96/24/712069624.db2.gz OQVRIERGCGMMIG-KRWDZBQOSA-N 1 2 338.415 1.798 20 30 EDEDLO CCc1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)nn1C ZINC001004625159 712073942 /nfs/dbraw/zinc/07/39/42/712073942.db2.gz OTYINEHXRMAMGJ-KRWDZBQOSA-N 1 2 329.448 1.823 20 30 EDEDLO CCc1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)nn1C ZINC001004625159 712073944 /nfs/dbraw/zinc/07/39/44/712073944.db2.gz OTYINEHXRMAMGJ-KRWDZBQOSA-N 1 2 329.448 1.823 20 30 EDEDLO CC(=O)N1CCC(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CC1 ZINC001004626720 712084001 /nfs/dbraw/zinc/08/40/01/712084001.db2.gz YXYQGKINVFLFQM-SFHVURJKSA-N 1 2 346.475 1.471 20 30 EDEDLO CC(=O)N1CCC(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CC1 ZINC001004626720 712084002 /nfs/dbraw/zinc/08/40/02/712084002.db2.gz YXYQGKINVFLFQM-SFHVURJKSA-N 1 2 346.475 1.471 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)o1 ZINC000559259609 306252305 /nfs/dbraw/zinc/25/23/05/306252305.db2.gz PHKLEKBWCSPEEP-UHFFFAOYSA-N 1 2 326.356 1.655 20 30 EDEDLO CN(CCC#N)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000177186301 529868106 /nfs/dbraw/zinc/86/81/06/529868106.db2.gz TVNOYUAAGSCUHM-UHFFFAOYSA-N 1 2 342.443 1.111 20 30 EDEDLO C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329204746 539420091 /nfs/dbraw/zinc/42/00/91/539420091.db2.gz DCXCBEYAXRSFSE-YGSHXTJESA-N 1 2 331.420 1.527 20 30 EDEDLO C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000329303183 539427649 /nfs/dbraw/zinc/42/76/49/539427649.db2.gz XEDSEERADLXTAW-CQSZACIVSA-N 1 2 347.463 1.979 20 30 EDEDLO O=C(N[C@H]1CCN(c2ccccc2F)C1=O)N1CCn2cc[nH+]c2C1 ZINC000329458812 539438234 /nfs/dbraw/zinc/43/82/34/539438234.db2.gz RDNAPDRKAURZHU-ZDUSSCGKSA-N 1 2 343.362 1.557 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N1CCC2(CNC(=O)C2)CC1)[NH+]1CCOCC1 ZINC000329785051 539464447 /nfs/dbraw/zinc/46/44/47/539464447.db2.gz WPKFXBYVUMBXFB-UONOGXRCSA-N 1 2 338.452 1.452 20 30 EDEDLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cn1 ZINC000105779596 138301598 /nfs/dbraw/zinc/30/15/98/138301598.db2.gz TZICNVXDGOFEKJ-UHFFFAOYSA-N 1 2 340.368 1.643 20 30 EDEDLO Cn1c2ccccc2nc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000174830791 237292304 /nfs/dbraw/zinc/29/23/04/237292304.db2.gz YJXRFOVCNNTLJJ-UHFFFAOYSA-N 1 2 327.432 1.621 20 30 EDEDLO C#CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000029325112 201064722 /nfs/dbraw/zinc/06/47/22/201064722.db2.gz ZENKLZUWHCPIEK-OAHLLOKOSA-N 1 2 328.372 1.459 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000273358015 201256199 /nfs/dbraw/zinc/25/61/99/201256199.db2.gz DRUZYZIVJOZGHG-DOMZBBRYSA-N 1 2 332.379 1.885 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000275511631 201283009 /nfs/dbraw/zinc/28/30/09/201283009.db2.gz BRRSTYULABWIME-KGLIPLIRSA-N 1 2 333.436 1.073 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000275511631 201283013 /nfs/dbraw/zinc/28/30/13/201283013.db2.gz BRRSTYULABWIME-KGLIPLIRSA-N 1 2 333.436 1.073 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C#Cc2ccccc2)C1 ZINC000275503732 201283852 /nfs/dbraw/zinc/28/38/52/201283852.db2.gz BEULRHRBPMSMEQ-MRXNPFEDSA-N 1 2 335.411 1.143 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)C#Cc2ccccc2)C1 ZINC000275503732 201283856 /nfs/dbraw/zinc/28/38/56/201283856.db2.gz BEULRHRBPMSMEQ-MRXNPFEDSA-N 1 2 335.411 1.143 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000077393210 203386643 /nfs/dbraw/zinc/38/66/43/203386643.db2.gz UBDUSRWMURCCSQ-ZDUSSCGKSA-N 1 2 337.445 1.113 20 30 EDEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000157468969 206139372 /nfs/dbraw/zinc/13/93/72/206139372.db2.gz PNVNVDMMXHRRQA-GFCCVEGCSA-N 1 2 343.387 1.405 20 30 EDEDLO CCOCCO[C@H]1CC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000157623790 206146962 /nfs/dbraw/zinc/14/69/62/206146962.db2.gz NXHRYQPWXSPBAC-DLBZAZTESA-N 1 2 332.400 1.900 20 30 EDEDLO CCOCCO[C@H]1CC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000157623790 206146967 /nfs/dbraw/zinc/14/69/67/206146967.db2.gz NXHRYQPWXSPBAC-DLBZAZTESA-N 1 2 332.400 1.900 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000103225845 206396928 /nfs/dbraw/zinc/39/69/28/206396928.db2.gz WGHVHUUHNCADAQ-UHFFFAOYSA-N 1 2 332.423 1.683 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000266007279 248023766 /nfs/dbraw/zinc/02/37/66/248023766.db2.gz QRHRCIHRIWCWKR-CABCVRRESA-N 1 2 345.447 1.161 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000266007279 248023770 /nfs/dbraw/zinc/02/37/70/248023770.db2.gz QRHRCIHRIWCWKR-CABCVRRESA-N 1 2 345.447 1.161 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCCC#N)c1ccc(F)cc1 ZINC000264107059 249335462 /nfs/dbraw/zinc/33/54/62/249335462.db2.gz IOAWSZBPLHFABH-CQSZACIVSA-N 1 2 336.392 1.872 20 30 EDEDLO Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)nn1CCC#N ZINC000272057533 249457496 /nfs/dbraw/zinc/45/74/96/249457496.db2.gz IETXDUZJUOFLLL-HNNXBMFYSA-N 1 2 346.435 1.434 20 30 EDEDLO COc1cc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)ccc1F ZINC000282675831 249541671 /nfs/dbraw/zinc/54/16/71/249541671.db2.gz CSRHSNYDKGLZNG-AWEZNQCLSA-N 1 2 348.422 1.717 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329302816 249833849 /nfs/dbraw/zinc/83/38/49/249833849.db2.gz WOYSGZXUELREBF-CABCVRRESA-N 1 2 334.420 1.513 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 ZINC000341986381 250004573 /nfs/dbraw/zinc/00/45/73/250004573.db2.gz ZHNBXTDSKXARKM-UHFFFAOYSA-N 1 2 347.415 1.853 20 30 EDEDLO CN(CC(=O)NC1(C#N)CCC1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000347039186 250052813 /nfs/dbraw/zinc/05/28/13/250052813.db2.gz WDNVBVPWGBKLMR-UHFFFAOYSA-N 1 2 337.427 1.926 20 30 EDEDLO C=CCN(C)C(=O)N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000346851598 250046886 /nfs/dbraw/zinc/04/68/86/250046886.db2.gz IMMCKFSMZLBOPF-BBRMVZONSA-N 1 2 331.420 1.442 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000352237802 250075703 /nfs/dbraw/zinc/07/57/03/250075703.db2.gz LGUAOXZBXHVKBY-CQSZACIVSA-N 1 2 325.453 1.074 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000352237802 250075705 /nfs/dbraw/zinc/07/57/05/250075705.db2.gz LGUAOXZBXHVKBY-CQSZACIVSA-N 1 2 325.453 1.074 20 30 EDEDLO CC(C)(C#N)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000353606043 250082121 /nfs/dbraw/zinc/08/21/21/250082121.db2.gz RYDIFOOPPLXYMC-UHFFFAOYSA-N 1 2 334.464 1.377 20 30 EDEDLO CC(=O)N1CC[NH+](CCNC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000354603459 250094275 /nfs/dbraw/zinc/09/42/75/250094275.db2.gz OYWBRGJULDAVTM-GOSISDBHSA-N 1 2 342.443 1.354 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000361157659 250171650 /nfs/dbraw/zinc/17/16/50/250171650.db2.gz AZRITYRIYGXFPC-UHFFFAOYSA-N 1 2 334.376 1.028 20 30 EDEDLO C#Cc1cccc(NC(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c1 ZINC000370353786 250206127 /nfs/dbraw/zinc/20/61/27/250206127.db2.gz SPAJDUQLJCMRBV-KRWDZBQOSA-N 1 2 340.427 1.486 20 30 EDEDLO C=CCC[C@@H](O)C[N@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000374626112 250269778 /nfs/dbraw/zinc/26/97/78/250269778.db2.gz LSBUKACYYIKZGY-KFWWJZLASA-N 1 2 326.437 1.634 20 30 EDEDLO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000374626112 250269781 /nfs/dbraw/zinc/26/97/81/250269781.db2.gz LSBUKACYYIKZGY-KFWWJZLASA-N 1 2 326.437 1.634 20 30 EDEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000374626113 250269887 /nfs/dbraw/zinc/26/98/87/250269887.db2.gz LSBUKACYYIKZGY-ZNMIVQPWSA-N 1 2 326.437 1.634 20 30 EDEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000374626113 250269891 /nfs/dbraw/zinc/26/98/91/250269891.db2.gz LSBUKACYYIKZGY-ZNMIVQPWSA-N 1 2 326.437 1.634 20 30 EDEDLO C=CCOCCNC(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000374738497 250271212 /nfs/dbraw/zinc/27/12/12/250271212.db2.gz PIWBIJVVVFVNLE-UHFFFAOYSA-N 1 2 336.436 1.711 20 30 EDEDLO C=CCOCCNC(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000374738497 250271216 /nfs/dbraw/zinc/27/12/16/250271216.db2.gz PIWBIJVVVFVNLE-UHFFFAOYSA-N 1 2 336.436 1.711 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C1=O ZINC000374275264 250257542 /nfs/dbraw/zinc/25/75/42/250257542.db2.gz WIOVZQLMBOPRPJ-HZPDHXFCSA-N 1 2 342.443 1.543 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000374334686 250259916 /nfs/dbraw/zinc/25/99/16/250259916.db2.gz XULUIWDAZVZTBT-GOSISDBHSA-N 1 2 348.406 1.994 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000374334686 250259919 /nfs/dbraw/zinc/25/99/19/250259919.db2.gz XULUIWDAZVZTBT-GOSISDBHSA-N 1 2 348.406 1.994 20 30 EDEDLO C=CCCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(C)no2)CC1 ZINC000378161394 250297576 /nfs/dbraw/zinc/29/75/76/250297576.db2.gz NNEOVSGROLPXDX-UHFFFAOYSA-N 1 2 327.450 1.785 20 30 EDEDLO CCn1cc[nH+]c1CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000570293731 306536532 /nfs/dbraw/zinc/53/65/32/306536532.db2.gz WUOHETNUBKXSTL-UHFFFAOYSA-N 1 2 342.403 1.604 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451055045 254713407 /nfs/dbraw/zinc/71/34/07/254713407.db2.gz NENPKVDDRJTZAF-LLVKDONJSA-N 1 2 338.820 1.970 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1C#N ZINC000489052943 255062915 /nfs/dbraw/zinc/06/29/15/255062915.db2.gz PTLMRZRDPNWYRO-VXGBXAGGSA-N 1 2 334.445 1.983 20 30 EDEDLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000490615816 255095090 /nfs/dbraw/zinc/09/50/90/255095090.db2.gz GCGPGCZMWXIKPB-CPUCHLNUSA-N 1 2 338.452 1.640 20 30 EDEDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000490615816 255095092 /nfs/dbraw/zinc/09/50/92/255095092.db2.gz GCGPGCZMWXIKPB-CPUCHLNUSA-N 1 2 338.452 1.640 20 30 EDEDLO COC(=O)[C@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000263861556 139365359 /nfs/dbraw/zinc/36/53/59/139365359.db2.gz SSVQQMXBQISBOV-HOTGVXAUSA-N 1 2 327.384 1.012 20 30 EDEDLO Cn1nccc1/C=C\C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000490640563 255097365 /nfs/dbraw/zinc/09/73/65/255097365.db2.gz UWBOYACCAXMDTQ-SREVYHEPSA-N 1 2 335.411 1.649 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000490657692 255098441 /nfs/dbraw/zinc/09/84/41/255098441.db2.gz ZKKSHKPNGFPYNW-IAGOWNOFSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000490657692 255098442 /nfs/dbraw/zinc/09/84/42/255098442.db2.gz ZKKSHKPNGFPYNW-IAGOWNOFSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCN(CC#CC)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000490696352 255100152 /nfs/dbraw/zinc/10/01/52/255100152.db2.gz HMCMOORVFDHFBU-IBGZPJMESA-N 1 2 339.439 1.728 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](c3ccccc3)OC[C@H]2C)CC1 ZINC000490741491 255104118 /nfs/dbraw/zinc/10/41/18/255104118.db2.gz SCGWYVHPVGXZMB-IEBWSBKVSA-N 1 2 341.455 1.226 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)CC(F)F)CC1 ZINC000490739294 255104489 /nfs/dbraw/zinc/10/44/89/255104489.db2.gz COOXETKTWDNOJI-UHFFFAOYSA-N 1 2 335.398 1.531 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2NC(=O)C2CC2)CC1 ZINC000490762622 255106085 /nfs/dbraw/zinc/10/60/85/255106085.db2.gz ISGBVHDXUMTXRM-UHFFFAOYSA-N 1 2 341.411 1.191 20 30 EDEDLO C#CCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(OC(F)F)c(OC)c1 ZINC000490779265 255107083 /nfs/dbraw/zinc/10/70/83/255107083.db2.gz UPFJSSPCXWDYFF-SECBINFHSA-N 1 2 341.314 1.281 20 30 EDEDLO C#CC[NH+]1CCC(c2nc(CS(=O)(=O)c3ccccc3)no2)CC1 ZINC000491708231 255144409 /nfs/dbraw/zinc/14/44/09/255144409.db2.gz HHGCWKJTVCZVFO-UHFFFAOYSA-N 1 2 345.424 1.856 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C ZINC000491774737 255147116 /nfs/dbraw/zinc/14/71/16/255147116.db2.gz XLOBLNBXTCBJEJ-CXAGYDPISA-N 1 2 341.411 1.763 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C ZINC000491774737 255147118 /nfs/dbraw/zinc/14/71/18/255147118.db2.gz XLOBLNBXTCBJEJ-CXAGYDPISA-N 1 2 341.411 1.763 20 30 EDEDLO C#C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000491786110 255147370 /nfs/dbraw/zinc/14/73/70/255147370.db2.gz TVEKEMJHZBAXJS-INIZCTEOSA-N 1 2 333.407 1.910 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)n1 ZINC000491622130 255132596 /nfs/dbraw/zinc/13/25/96/255132596.db2.gz HPVKGNGFGYDJFQ-CQSZACIVSA-N 1 2 329.404 1.093 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)n1 ZINC000491622130 255132598 /nfs/dbraw/zinc/13/25/98/255132598.db2.gz HPVKGNGFGYDJFQ-CQSZACIVSA-N 1 2 329.404 1.093 20 30 EDEDLO COc1cc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc(OC)c1OC ZINC000493268146 255200472 /nfs/dbraw/zinc/20/04/72/255200472.db2.gz ZKFJHNPKGDZPQM-ZEVQVBBLSA-N 1 2 347.415 1.686 20 30 EDEDLO Cc1nsc(N2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)CC2)c1C#N ZINC000493272407 255200975 /nfs/dbraw/zinc/20/09/75/255200975.db2.gz NTWVMXWZRHODFX-NSCUHMNNSA-N 1 2 328.401 1.408 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+](CCO)Cc2cccc(F)c2)cc1 ZINC000494258653 255243442 /nfs/dbraw/zinc/24/34/42/255243442.db2.gz CIKJGMLFEKFMJF-UHFFFAOYSA-N 1 2 341.386 1.808 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+](CCO)Cc2cccc(F)c2)cc1 ZINC000494258653 255243443 /nfs/dbraw/zinc/24/34/43/255243443.db2.gz CIKJGMLFEKFMJF-UHFFFAOYSA-N 1 2 341.386 1.808 20 30 EDEDLO CN(C)C(=O)OC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000495664210 255312178 /nfs/dbraw/zinc/31/21/78/255312178.db2.gz JREDNOPDSGNHHO-UHFFFAOYSA-N 1 2 330.388 1.659 20 30 EDEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccco1 ZINC000264051459 139377826 /nfs/dbraw/zinc/37/78/26/139377826.db2.gz IGBXZRAJHDCZCD-AWEZNQCLSA-N 1 2 337.376 1.872 20 30 EDEDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccccc2C#N)C[C@H](C)O1 ZINC000119290497 221286388 /nfs/dbraw/zinc/28/63/88/221286388.db2.gz WLVJGSFQSMGCJT-OKILXGFUSA-N 1 2 337.445 1.336 20 30 EDEDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccccc2C#N)C[C@H](C)O1 ZINC000119290497 221286391 /nfs/dbraw/zinc/28/63/91/221286391.db2.gz WLVJGSFQSMGCJT-OKILXGFUSA-N 1 2 337.445 1.336 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1C#N ZINC000119533515 221342032 /nfs/dbraw/zinc/34/20/32/221342032.db2.gz ZRTOAHFXNRKTLQ-LBPRGKRZSA-N 1 2 346.412 1.594 20 30 EDEDLO Cc1cc(C)n(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000272958467 140536426 /nfs/dbraw/zinc/53/64/26/140536426.db2.gz PLTKKIKRFVDFOA-UHFFFAOYSA-N 1 2 337.427 1.716 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000331936399 141100258 /nfs/dbraw/zinc/10/02/58/141100258.db2.gz MDLSLEAOFZCHIE-LBPRGKRZSA-N 1 2 348.403 1.750 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000332404424 141176304 /nfs/dbraw/zinc/17/63/04/141176304.db2.gz WLWSJMXBCJBGHE-UHFFFAOYSA-N 1 2 332.385 1.366 20 30 EDEDLO N#Cc1ncn(CC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)n1 ZINC000339850912 142177383 /nfs/dbraw/zinc/17/73/83/142177383.db2.gz UMWZKCZLXYBGRP-UHFFFAOYSA-N 1 2 345.366 1.704 20 30 EDEDLO Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2nc(C#N)cs2)CC(=O)N1C ZINC000352869323 149196402 /nfs/dbraw/zinc/19/64/02/149196402.db2.gz HIIBAUMZCIYUQX-MLGOLLRUSA-N 1 2 344.444 1.427 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](COC(F)F)C2)cc1 ZINC000353020241 149255619 /nfs/dbraw/zinc/25/56/19/149255619.db2.gz HQASGIWMDFWGRX-ZDUSSCGKSA-N 1 2 344.383 1.893 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](COC(F)F)C2)cc1 ZINC000353020241 149255622 /nfs/dbraw/zinc/25/56/22/149255622.db2.gz HQASGIWMDFWGRX-ZDUSSCGKSA-N 1 2 344.383 1.893 20 30 EDEDLO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000360402934 152022453 /nfs/dbraw/zinc/02/24/53/152022453.db2.gz YGABFZPMXLHWLQ-DZGCQCFKSA-N 1 2 341.367 1.075 20 30 EDEDLO COC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000360402934 152022457 /nfs/dbraw/zinc/02/24/57/152022457.db2.gz YGABFZPMXLHWLQ-DZGCQCFKSA-N 1 2 341.367 1.075 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367572963 154180982 /nfs/dbraw/zinc/18/09/82/154180982.db2.gz GRFFLVATWAZWTK-KBPBESRZSA-N 1 2 335.429 1.828 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367572963 154180992 /nfs/dbraw/zinc/18/09/92/154180992.db2.gz GRFFLVATWAZWTK-KBPBESRZSA-N 1 2 335.429 1.828 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c(C#N)c1C ZINC000368069742 154394573 /nfs/dbraw/zinc/39/45/73/154394573.db2.gz NNOWBTYRQKFZOP-NWDGAFQWSA-N 1 2 332.429 1.243 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c(C#N)c1C ZINC000368069742 154394574 /nfs/dbraw/zinc/39/45/74/154394574.db2.gz NNOWBTYRQKFZOP-NWDGAFQWSA-N 1 2 332.429 1.243 20 30 EDEDLO N#Cc1ncn(C2CC[NH+](CC(=O)Nc3ccc(Cl)cn3)CC2)n1 ZINC000369390054 155009036 /nfs/dbraw/zinc/00/90/36/155009036.db2.gz WBKPVEBCYKJYRA-UHFFFAOYSA-N 1 2 345.794 1.474 20 30 EDEDLO Cc1cccc(S(=O)(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1C#N ZINC000372311484 156325093 /nfs/dbraw/zinc/32/50/93/156325093.db2.gz KHCWRKMKCITITK-CYBMUJFWSA-N 1 2 330.413 1.778 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374333769 157250494 /nfs/dbraw/zinc/25/04/94/157250494.db2.gz SFNJAKDHVMDAEW-AWEZNQCLSA-N 1 2 337.383 1.555 20 30 EDEDLO Cc1cn2c([nH+]1)CN(CCS(=O)(=O)c1ccc(C#N)cc1)CC2 ZINC000374648828 157355995 /nfs/dbraw/zinc/35/59/95/157355995.db2.gz RIMZTEBXVSAIKQ-UHFFFAOYSA-N 1 2 330.413 1.353 20 30 EDEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000408084084 158261924 /nfs/dbraw/zinc/26/19/24/158261924.db2.gz MOQLWKKARIPMTH-WDEREUQCSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000408084084 158261925 /nfs/dbraw/zinc/26/19/25/158261925.db2.gz MOQLWKKARIPMTH-WDEREUQCSA-N 1 2 327.837 1.925 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC000408362900 158342123 /nfs/dbraw/zinc/34/21/23/158342123.db2.gz RUZIKIMVLLHVAA-LBPRGKRZSA-N 1 2 331.401 1.553 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1 ZINC000366407493 162380331 /nfs/dbraw/zinc/38/03/31/162380331.db2.gz RWTKYWOAIPHXQC-UHFFFAOYSA-N 1 2 334.383 1.931 20 30 EDEDLO CC(C)OCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000080482558 287307685 /nfs/dbraw/zinc/30/76/85/287307685.db2.gz XMWQEDOOHCZEFN-INIZCTEOSA-N 1 2 345.443 1.895 20 30 EDEDLO CC[C@](C)(O)C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000123036727 222205166 /nfs/dbraw/zinc/20/51/66/222205166.db2.gz FGJJWQAFTJGKKY-INIZCTEOSA-N 1 2 337.445 1.026 20 30 EDEDLO Cc1nc(N2CCN(c3cccc(F)c3C#N)CC2)nc(N(C)C)[nH+]1 ZINC000488376979 270014147 /nfs/dbraw/zinc/01/41/47/270014147.db2.gz GBHMBUFQOSZOTE-UHFFFAOYSA-N 1 2 341.394 1.583 20 30 EDEDLO Cc1nc(N(C)C)nc(N2CCN(c3cccc(F)c3C#N)CC2)[nH+]1 ZINC000488376979 270014148 /nfs/dbraw/zinc/01/41/48/270014148.db2.gz GBHMBUFQOSZOTE-UHFFFAOYSA-N 1 2 341.394 1.583 20 30 EDEDLO N#Cc1ncn(CCNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000493025012 270014816 /nfs/dbraw/zinc/01/48/16/270014816.db2.gz ODYCLLJUFSTAPG-UTCJRWHESA-N 1 2 333.355 1.165 20 30 EDEDLO CCC(=O)N1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000533774523 270015983 /nfs/dbraw/zinc/01/59/83/270015983.db2.gz BJGSTOZGKZPELZ-UHFFFAOYSA-N 1 2 329.400 1.789 20 30 EDEDLO CCC(=O)N1CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000533774523 270015984 /nfs/dbraw/zinc/01/59/84/270015984.db2.gz BJGSTOZGKZPELZ-UHFFFAOYSA-N 1 2 329.400 1.789 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000298727371 266359066 /nfs/dbraw/zinc/35/90/66/266359066.db2.gz RAJHSDIMYPSAMU-CQSZACIVSA-N 1 2 341.459 1.479 20 30 EDEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000301057052 267016236 /nfs/dbraw/zinc/01/62/36/267016236.db2.gz AKZBBGBQLLDLCQ-NVXWUHKLSA-N 1 2 341.459 1.770 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)cc1 ZINC000286518956 267080358 /nfs/dbraw/zinc/08/03/58/267080358.db2.gz NGCCLKALJZYHBC-RHSMWYFYSA-N 1 2 328.416 1.563 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280645632 267141002 /nfs/dbraw/zinc/14/10/02/267141002.db2.gz ZSUHHUQEUWTKBG-QWQRMKEZSA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280645632 267141004 /nfs/dbraw/zinc/14/10/04/267141004.db2.gz ZSUHHUQEUWTKBG-QWQRMKEZSA-N 1 2 329.400 1.765 20 30 EDEDLO CCOC[C@H]1C[N@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)CCO1 ZINC000530105072 267143866 /nfs/dbraw/zinc/14/38/66/267143866.db2.gz FFDLGBCEQSWURI-QGZVFWFLSA-N 1 2 341.415 1.820 20 30 EDEDLO CCOC[C@H]1C[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)CCO1 ZINC000530105072 267143869 /nfs/dbraw/zinc/14/38/69/267143869.db2.gz FFDLGBCEQSWURI-QGZVFWFLSA-N 1 2 341.415 1.820 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCCNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425210660 268042751 /nfs/dbraw/zinc/04/27/51/268042751.db2.gz RYMWKIYTURYDSK-UHFFFAOYSA-N 1 2 330.413 1.382 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1cccnc1C#N ZINC000428229493 268080415 /nfs/dbraw/zinc/08/04/15/268080415.db2.gz OPZSCQRCUIIMCM-UHFFFAOYSA-N 1 2 341.396 1.590 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)Cc3cn4ccccc4[nH+]3)C2)nc1 ZINC000292491869 268184379 /nfs/dbraw/zinc/18/43/79/268184379.db2.gz WRXPDNYOBAGHNT-INIZCTEOSA-N 1 2 347.378 1.823 20 30 EDEDLO N#Cc1ccnc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000282995116 268288003 /nfs/dbraw/zinc/28/80/03/268288003.db2.gz HXYXTLONPUTWMS-SFHVURJKSA-N 1 2 336.395 1.445 20 30 EDEDLO N#Cc1ncccc1N1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000290585550 268327709 /nfs/dbraw/zinc/32/77/09/268327709.db2.gz WNCVDVNALQUALZ-UHFFFAOYSA-N 1 2 347.422 1.665 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000286636825 278476667 /nfs/dbraw/zinc/47/66/67/278476667.db2.gz DCKOICQXCJRQSK-GOEBONIOSA-N 1 2 342.395 1.088 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)[C@@H](C)C[N@@H+]1C ZINC000350901286 288242540 /nfs/dbraw/zinc/24/25/40/288242540.db2.gz ZDYKKSJSZDKTBN-MNOVXSKESA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)[C@@H](C)C[N@H+]1C ZINC000350901286 288242541 /nfs/dbraw/zinc/24/25/41/288242541.db2.gz ZDYKKSJSZDKTBN-MNOVXSKESA-N 1 2 327.837 1.925 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1ccncc1C#N ZINC000376488910 289722983 /nfs/dbraw/zinc/72/29/83/289722983.db2.gz UAURMLQBONEOOO-GJZGRUSLSA-N 1 2 328.395 1.736 20 30 EDEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@]3(C#N)C[C@@H]3C)CC2)c1 ZINC000448582052 447332664 /nfs/dbraw/zinc/33/26/64/447332664.db2.gz TWSKSNTVAIJADC-IFXJQAMLSA-N 1 2 343.427 1.898 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000546690941 306094928 /nfs/dbraw/zinc/09/49/28/306094928.db2.gz ZFUNDGDHXKLZCW-INIZCTEOSA-N 1 2 329.400 1.356 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000546690941 306094929 /nfs/dbraw/zinc/09/49/29/306094929.db2.gz ZFUNDGDHXKLZCW-INIZCTEOSA-N 1 2 329.400 1.356 20 30 EDEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000044714632 440878066 /nfs/dbraw/zinc/87/80/66/440878066.db2.gz FYNHLXZKWYUOPY-IYBDPMFKSA-N 1 2 341.459 1.580 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)CC1 ZINC000044756744 440885365 /nfs/dbraw/zinc/88/53/65/440885365.db2.gz KJCVHXNCLDPSCF-HNNXBMFYSA-N 1 2 326.400 1.052 20 30 EDEDLO N#Cc1ccc(OCC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000044912685 440908775 /nfs/dbraw/zinc/90/87/75/440908775.db2.gz ZPJMWBLGNFFSOP-UHFFFAOYSA-N 1 2 333.351 1.834 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2c(c1)OCCO2 ZINC000060633993 441254471 /nfs/dbraw/zinc/25/44/71/441254471.db2.gz SRAVHTFAGPZTFF-UHFFFAOYSA-N 1 2 345.399 1.146 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCOc1ccccc1 ZINC000060634118 441255334 /nfs/dbraw/zinc/25/53/34/441255334.db2.gz UMZDEAQIMFLFFM-UHFFFAOYSA-N 1 2 331.416 1.530 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc2ccccc2[nH]c1=O ZINC000081515444 441280660 /nfs/dbraw/zinc/28/06/60/441280660.db2.gz FBTZBOLFAHBINI-UHFFFAOYSA-N 1 2 340.427 1.576 20 30 EDEDLO C=CCOc1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000082985906 441343815 /nfs/dbraw/zinc/34/38/15/441343815.db2.gz MXABRVQXBCVMIL-MRXNPFEDSA-N 1 2 334.416 1.017 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000073369090 441312457 /nfs/dbraw/zinc/31/24/57/441312457.db2.gz TVRNPDDLLVMFDF-ZDUSSCGKSA-N 1 2 330.407 1.482 20 30 EDEDLO CC(C)NC(=O)C[N@@H+]1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000051792986 441423622 /nfs/dbraw/zinc/42/36/22/441423622.db2.gz PJNQCFYNORJYOV-UHFFFAOYSA-N 1 2 341.868 1.705 20 30 EDEDLO CC(C)NC(=O)C[N@H+]1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000051792986 441423625 /nfs/dbraw/zinc/42/36/25/441423625.db2.gz PJNQCFYNORJYOV-UHFFFAOYSA-N 1 2 341.868 1.705 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000088596356 441515343 /nfs/dbraw/zinc/51/53/43/441515343.db2.gz MBTRNLIMZFYEFL-HNNXBMFYSA-N 1 2 344.434 1.826 20 30 EDEDLO CCN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H](C)C#N ZINC000066424638 441531138 /nfs/dbraw/zinc/53/11/38/441531138.db2.gz CUCSPXDXTOXQIU-OAHLLOKOSA-N 1 2 334.489 1.874 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181704 441608047 /nfs/dbraw/zinc/60/80/47/441608047.db2.gz HJEGNILDRFVMDL-OCAPTIKFSA-N 1 2 347.259 1.671 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181704 441608051 /nfs/dbraw/zinc/60/80/51/441608051.db2.gz HJEGNILDRFVMDL-OCAPTIKFSA-N 1 2 347.259 1.671 20 30 EDEDLO Cc1noc(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)n1 ZINC000054990601 441609221 /nfs/dbraw/zinc/60/92/21/441609221.db2.gz GKWLTAPSJQEOQS-UHFFFAOYSA-N 1 2 330.392 1.213 20 30 EDEDLO N#CCCN(CCN1CCCc2ccccc21)CC[NH+]1CCOCC1 ZINC000090551537 441633604 /nfs/dbraw/zinc/63/36/04/441633604.db2.gz XIROLZQSRGWGQO-UHFFFAOYSA-N 1 2 342.487 1.987 20 30 EDEDLO N#CCC[N@H+](CCN1CCOCC1)CCN1CCCc2ccccc21 ZINC000090551537 441633606 /nfs/dbraw/zinc/63/36/06/441633606.db2.gz XIROLZQSRGWGQO-UHFFFAOYSA-N 1 2 342.487 1.987 20 30 EDEDLO N#CCC[N@@H+](CCN1CCOCC1)CCN1CCCc2ccccc21 ZINC000090551537 441633610 /nfs/dbraw/zinc/63/36/10/441633610.db2.gz XIROLZQSRGWGQO-UHFFFAOYSA-N 1 2 342.487 1.987 20 30 EDEDLO COc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000076461341 441648685 /nfs/dbraw/zinc/64/86/85/441648685.db2.gz NKGROIHFSCIICJ-UHFFFAOYSA-N 1 2 332.404 1.775 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000114490603 441664612 /nfs/dbraw/zinc/66/46/12/441664612.db2.gz OUMNUCHUZXSIBL-UHFFFAOYSA-N 1 2 337.361 1.705 20 30 EDEDLO C=CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1OC ZINC000114854527 441690177 /nfs/dbraw/zinc/69/01/77/441690177.db2.gz NTCZHKPCXSLKHW-INIZCTEOSA-N 1 2 346.427 1.853 20 30 EDEDLO C=CCOc1ccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1OC ZINC000114854527 441690181 /nfs/dbraw/zinc/69/01/81/441690181.db2.gz NTCZHKPCXSLKHW-INIZCTEOSA-N 1 2 346.427 1.853 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000042542018 441749614 /nfs/dbraw/zinc/74/96/14/441749614.db2.gz JJDQBMJXEURMOB-MRXNPFEDSA-N 1 2 334.464 1.914 20 30 EDEDLO CC(C)N(C)C(=O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115535494 441752106 /nfs/dbraw/zinc/75/21/06/441752106.db2.gz ZPMRNPOZHKXUKH-QGZVFWFLSA-N 1 2 342.443 1.663 20 30 EDEDLO N#Cc1ccc([C@H](Nc2ccc(N3CCOCC3)[nH+]c2)C(N)=O)cc1 ZINC000115596129 441763283 /nfs/dbraw/zinc/76/32/83/441763283.db2.gz QIBJLBAPUWKQDA-KRWDZBQOSA-N 1 2 337.383 1.428 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CCN(c3ccccc3)C2=O)C(N)=O)cc1 ZINC000115599930 441765374 /nfs/dbraw/zinc/76/53/74/441765374.db2.gz IYNAXYKIVZUIEN-DLBZAZTESA-N 1 2 334.379 1.480 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2ccsc2)CC1 ZINC000159070145 441785616 /nfs/dbraw/zinc/78/56/16/441785616.db2.gz LEFVDDMXKIESIM-AWEZNQCLSA-N 1 2 333.457 1.135 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccsc2)CC1 ZINC000159070145 441785624 /nfs/dbraw/zinc/78/56/24/441785624.db2.gz LEFVDDMXKIESIM-AWEZNQCLSA-N 1 2 333.457 1.135 20 30 EDEDLO CSc1nc(C2CC2)cc(C(=O)N2CC[NH+](CCO)CC2)c1C#N ZINC000121848170 441794065 /nfs/dbraw/zinc/79/40/65/441794065.db2.gz UKLQSCRMOHXMHT-UHFFFAOYSA-N 1 2 346.456 1.303 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CCN(Cc2nccn2C)CC1 ZINC000160020569 441854656 /nfs/dbraw/zinc/85/46/56/441854656.db2.gz IUSUXHVRZMSUFK-UHFFFAOYSA-N 1 2 325.416 1.618 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117769271 441878401 /nfs/dbraw/zinc/87/84/01/441878401.db2.gz RGRSSHXMWLKARZ-CQSZACIVSA-N 1 2 330.407 1.899 20 30 EDEDLO Cc1cc[nH+]c(N2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c1 ZINC000119964162 441983634 /nfs/dbraw/zinc/98/36/34/441983634.db2.gz JIAFIJRHWWTYEP-GOSISDBHSA-N 1 2 335.411 1.610 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)cc1 ZINC000079298339 442036565 /nfs/dbraw/zinc/03/65/65/442036565.db2.gz GLZOLGKUZOCFBV-QGZVFWFLSA-N 1 2 349.438 1.731 20 30 EDEDLO CCc1nnc(N2CCN(Cc3[nH+]ccn3C)CC2)c(C#N)c1CC ZINC000125811916 442051199 /nfs/dbraw/zinc/05/11/99/442051199.db2.gz UNVWLLOVBWSMRC-UHFFFAOYSA-N 1 2 339.447 1.529 20 30 EDEDLO C=CCN(CC=C)C(=O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000120488296 442081725 /nfs/dbraw/zinc/08/17/25/442081725.db2.gz NULCRYUBXANCMO-QGZVFWFLSA-N 1 2 328.460 1.961 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000120488296 442081727 /nfs/dbraw/zinc/08/17/27/442081727.db2.gz NULCRYUBXANCMO-QGZVFWFLSA-N 1 2 328.460 1.961 20 30 EDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2nccn2C)CC1 ZINC000120892792 442148032 /nfs/dbraw/zinc/14/80/32/442148032.db2.gz KFZLBOQMMRGYIB-UHFFFAOYSA-N 1 2 325.416 1.618 20 30 EDEDLO COC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000127286270 442189266 /nfs/dbraw/zinc/18/92/66/442189266.db2.gz BQXQWRRFAOEWBQ-DOTOQJQBSA-N 1 2 332.400 1.520 20 30 EDEDLO COC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000127286270 442189270 /nfs/dbraw/zinc/18/92/70/442189270.db2.gz BQXQWRRFAOEWBQ-DOTOQJQBSA-N 1 2 332.400 1.520 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000176233039 442196948 /nfs/dbraw/zinc/19/69/48/442196948.db2.gz JPFWWMYBYKONMH-UHFFFAOYSA-N 1 2 338.411 1.065 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000176233039 442196951 /nfs/dbraw/zinc/19/69/51/442196951.db2.gz JPFWWMYBYKONMH-UHFFFAOYSA-N 1 2 338.411 1.065 20 30 EDEDLO C[C@H](CNS(=O)(=O)CC1(C#N)CC1)[N@@H+]1CCc2sccc2C1 ZINC000164543877 442198163 /nfs/dbraw/zinc/19/81/63/442198163.db2.gz NJZIOTIBAJHDLY-GFCCVEGCSA-N 1 2 339.486 1.718 20 30 EDEDLO C[C@H](CNS(=O)(=O)CC1(C#N)CC1)[N@H+]1CCc2sccc2C1 ZINC000164543877 442198165 /nfs/dbraw/zinc/19/81/65/442198165.db2.gz NJZIOTIBAJHDLY-GFCCVEGCSA-N 1 2 339.486 1.718 20 30 EDEDLO C[C@H](NC(=O)[C@H](C)O[NH+]=C(N)CCO)c1ccc2c(c1)CCCC2 ZINC000121376829 442209674 /nfs/dbraw/zinc/20/96/74/442209674.db2.gz LUHDQCXGVQOBNM-STQMWFEESA-N 1 2 333.432 1.802 20 30 EDEDLO Cc1cc[nH+]c(N2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000166126633 442214444 /nfs/dbraw/zinc/21/44/44/442214444.db2.gz ROUAVMOAIXAMDP-UHFFFAOYSA-N 1 2 341.459 1.855 20 30 EDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000177144489 442304757 /nfs/dbraw/zinc/30/47/57/442304757.db2.gz NRLBOVDWBWNMBD-UHFFFAOYSA-N 1 2 341.383 1.765 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCCCCC#N)CC1 ZINC000170887010 442283732 /nfs/dbraw/zinc/28/37/32/442283732.db2.gz CIPGWHIAFIYVEH-MRXNPFEDSA-N 1 2 349.479 1.408 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCCCCO)CC1 ZINC000171144047 442319656 /nfs/dbraw/zinc/31/96/56/442319656.db2.gz TWTKIMBRYBDFHT-UHFFFAOYSA-N 1 2 337.445 1.027 20 30 EDEDLO C#CCSCCNc1[nH+]cnc2c1c(Br)nn2C ZINC000131774463 442379661 /nfs/dbraw/zinc/37/96/61/442379661.db2.gz FXQIBBVFGYNGDH-UHFFFAOYSA-N 1 2 326.223 1.904 20 30 EDEDLO N#Cc1cccc(OCCCCC(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178624351 442449823 /nfs/dbraw/zinc/44/98/23/442449823.db2.gz TYJGQIAOTDHVBV-KRWDZBQOSA-N 1 2 342.443 1.223 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1F ZINC000191933915 442542849 /nfs/dbraw/zinc/54/28/49/442542849.db2.gz WOFVOTHHRUCXDP-UHFFFAOYSA-N 1 2 344.434 1.827 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1F ZINC000191933915 442542854 /nfs/dbraw/zinc/54/28/54/442542854.db2.gz WOFVOTHHRUCXDP-UHFFFAOYSA-N 1 2 344.434 1.827 20 30 EDEDLO COc1ccc(CN2CC[NH+](CC(=O)NC(C)C)CC2)cc1C#N ZINC000134970548 442542968 /nfs/dbraw/zinc/54/29/68/442542968.db2.gz CHHMHMYTFKEYNP-UHFFFAOYSA-N 1 2 330.432 1.209 20 30 EDEDLO COc1ccc(C[NH+]2CCN(CC(=O)NC(C)C)CC2)cc1C#N ZINC000134970548 442542974 /nfs/dbraw/zinc/54/29/74/442542974.db2.gz CHHMHMYTFKEYNP-UHFFFAOYSA-N 1 2 330.432 1.209 20 30 EDEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000156717024 442513705 /nfs/dbraw/zinc/51/37/05/442513705.db2.gz TXLYCMIOEJWKJA-HOCLYGCPSA-N 1 2 327.388 1.264 20 30 EDEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000156717024 442513709 /nfs/dbraw/zinc/51/37/09/442513709.db2.gz TXLYCMIOEJWKJA-HOCLYGCPSA-N 1 2 327.388 1.264 20 30 EDEDLO CC(C)Oc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1C#N ZINC000157721341 442607526 /nfs/dbraw/zinc/60/75/26/442607526.db2.gz LLIJNRAVKSESPW-NVXWUHKLSA-N 1 2 344.415 1.892 20 30 EDEDLO CC(C)Oc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1C#N ZINC000157721341 442607532 /nfs/dbraw/zinc/60/75/32/442607532.db2.gz LLIJNRAVKSESPW-NVXWUHKLSA-N 1 2 344.415 1.892 20 30 EDEDLO CCN(C[C@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179278125 442611129 /nfs/dbraw/zinc/61/11/29/442611129.db2.gz LKVFMTALRXOAIZ-CVEARBPZSA-N 1 2 329.448 1.600 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000135586767 442614446 /nfs/dbraw/zinc/61/44/46/442614446.db2.gz CJEXADYRSNOULE-UHFFFAOYSA-N 1 2 343.427 1.815 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCOC2(CCOCC2)C1)c1ccccc1 ZINC000135586767 442614450 /nfs/dbraw/zinc/61/44/50/442614450.db2.gz CJEXADYRSNOULE-UHFFFAOYSA-N 1 2 343.427 1.815 20 30 EDEDLO N#C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCN1Cc1ccccc1 ZINC000246542877 442792429 /nfs/dbraw/zinc/79/24/29/442792429.db2.gz KAAHUBIRTHRKQM-ROUUACIJSA-N 1 2 349.438 1.682 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000188802775 442817895 /nfs/dbraw/zinc/81/78/95/442817895.db2.gz KGVRRYNCSIWGPU-CYBMUJFWSA-N 1 2 337.445 1.024 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1CC(C)(C)O ZINC000188802775 442817896 /nfs/dbraw/zinc/81/78/96/442817896.db2.gz KGVRRYNCSIWGPU-CYBMUJFWSA-N 1 2 337.445 1.024 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000182863608 442838099 /nfs/dbraw/zinc/83/80/99/442838099.db2.gz ZNROIXDCEIZYKK-IAGOWNOFSA-N 1 2 333.432 1.296 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000265656044 442866119 /nfs/dbraw/zinc/86/61/19/442866119.db2.gz QFWOZGNPUZEQLR-KRWDZBQOSA-N 1 2 342.443 1.713 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000265656044 442866121 /nfs/dbraw/zinc/86/61/21/442866121.db2.gz QFWOZGNPUZEQLR-KRWDZBQOSA-N 1 2 342.443 1.713 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000625503470 450397864 /nfs/dbraw/zinc/39/78/64/450397864.db2.gz PYPIJLUTPBCCOE-GASCZTMLSA-N 1 2 339.480 1.273 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000625503470 450397867 /nfs/dbraw/zinc/39/78/67/450397867.db2.gz PYPIJLUTPBCCOE-GASCZTMLSA-N 1 2 339.480 1.273 20 30 EDEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCCC2OCCCO2)c1 ZINC000268437473 442988864 /nfs/dbraw/zinc/98/88/64/442988864.db2.gz CJGHUJNFPYMTQY-UHFFFAOYSA-N 1 2 338.360 1.294 20 30 EDEDLO N#CCCn1ccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)n1 ZINC000184112396 442993531 /nfs/dbraw/zinc/99/35/31/442993531.db2.gz HQOVPTLZSVLFNL-UHFFFAOYSA-N 1 2 339.403 1.936 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000183664493 442950544 /nfs/dbraw/zinc/95/05/44/442950544.db2.gz NSANRGLYRNGQJL-HOTGVXAUSA-N 1 2 333.476 1.342 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000183664493 442950548 /nfs/dbraw/zinc/95/05/48/442950548.db2.gz NSANRGLYRNGQJL-HOTGVXAUSA-N 1 2 333.476 1.342 20 30 EDEDLO CC(C)OCC[NH+]1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000268629748 443057950 /nfs/dbraw/zinc/05/79/50/443057950.db2.gz MDLBPWXVZZZLLZ-UHFFFAOYSA-N 1 2 344.411 1.336 20 30 EDEDLO CCc1nsc(N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)n1 ZINC000268645833 443063345 /nfs/dbraw/zinc/06/33/45/443063345.db2.gz UIOCFDOCVJUUFC-OAHLLOKOSA-N 1 2 343.456 1.828 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185489566 443207909 /nfs/dbraw/zinc/20/79/09/443207909.db2.gz KLZCOHBPHIWRPY-CQSZACIVSA-N 1 2 326.404 1.680 20 30 EDEDLO COC(=O)c1coc(CO[NH+]=C(N)c2ccc(OC)c(OC)c2)c1 ZINC000263953208 443243662 /nfs/dbraw/zinc/24/36/62/443243662.db2.gz ZXPDMHLMRBROID-UHFFFAOYSA-N 1 2 334.328 1.921 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185490599 443208299 /nfs/dbraw/zinc/20/82/99/443208299.db2.gz ZRBGRAXLHXLCFA-LSDHHAIUSA-N 1 2 340.431 1.926 20 30 EDEDLO C=CC[N@@H+](CCOC)Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1 ZINC000191150018 443249586 /nfs/dbraw/zinc/24/95/86/443249586.db2.gz RFPFLAXWROCBCM-UHFFFAOYSA-N 1 2 348.403 1.925 20 30 EDEDLO C=CC[N@H+](CCOC)Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1 ZINC000191150018 443249590 /nfs/dbraw/zinc/24/95/90/443249590.db2.gz RFPFLAXWROCBCM-UHFFFAOYSA-N 1 2 348.403 1.925 20 30 EDEDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000185933115 443286633 /nfs/dbraw/zinc/28/66/33/443286633.db2.gz OPAWBANRZFFLMD-SFHVURJKSA-N 1 2 328.416 1.663 20 30 EDEDLO C[C@@]1(C(N)=O)CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000185933115 443286635 /nfs/dbraw/zinc/28/66/35/443286635.db2.gz OPAWBANRZFFLMD-SFHVURJKSA-N 1 2 328.416 1.663 20 30 EDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCCCS(=O)(=O)c1ccccc1 ZINC000264815824 443438406 /nfs/dbraw/zinc/43/84/06/443438406.db2.gz PWMURADPHNCGGK-UHFFFAOYSA-N 1 2 341.433 1.054 20 30 EDEDLO C[C@]1(O)CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000271058419 443488674 /nfs/dbraw/zinc/48/86/74/443488674.db2.gz RTMUXSXULDZWHL-UGSOOPFHSA-N 1 2 340.383 1.358 20 30 EDEDLO C[C@]1(O)CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000271058419 443488676 /nfs/dbraw/zinc/48/86/76/443488676.db2.gz RTMUXSXULDZWHL-UGSOOPFHSA-N 1 2 340.383 1.358 20 30 EDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cc(Cl)c2c(c1)OCCO2 ZINC000264844448 443450600 /nfs/dbraw/zinc/45/06/00/443450600.db2.gz YFMAWZQAUBUIAY-UHFFFAOYSA-N 1 2 341.795 1.815 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H](O)c3cccnc3)CC2)cc1 ZINC000264850140 443452896 /nfs/dbraw/zinc/45/28/96/443452896.db2.gz MZBWEBRWSOYJJX-SFHVURJKSA-N 1 2 336.395 1.331 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H](O)C2CC2)CC1=O ZINC000269862359 443454086 /nfs/dbraw/zinc/45/40/86/443454086.db2.gz RPJCXNVFXZBRES-AWEZNQCLSA-N 1 2 326.400 1.417 20 30 EDEDLO C=CCC[C@H](NC(=O)C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000283241720 443572200 /nfs/dbraw/zinc/57/22/00/443572200.db2.gz CUGKVNMSIHRHQX-INIZCTEOSA-N 1 2 326.400 1.823 20 30 EDEDLO COc1cc(C(N)=[NH+]OCCC2OCCO2)cc(Cl)c1OC ZINC000274361627 443604441 /nfs/dbraw/zinc/60/44/41/443604441.db2.gz WLSBNWLLZREXIB-UHFFFAOYSA-N 1 2 330.768 1.757 20 30 EDEDLO CC[N@H+](CCCNC(=O)C(=O)NCCCCC#N)c1ccccc1 ZINC000283501039 443647596 /nfs/dbraw/zinc/64/75/96/443647596.db2.gz NNROARIATLWKDT-UHFFFAOYSA-N 1 2 330.432 1.829 20 30 EDEDLO CC[N@@H+](CCCNC(=O)C(=O)NCCCCC#N)c1ccccc1 ZINC000283501039 443647598 /nfs/dbraw/zinc/64/75/98/443647598.db2.gz NNROARIATLWKDT-UHFFFAOYSA-N 1 2 330.432 1.829 20 30 EDEDLO C=C[C@H](CO)NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000290968916 443723226 /nfs/dbraw/zinc/72/32/26/443723226.db2.gz IJJKYJMWPYLGAH-MJBXVCDLSA-N 1 2 339.461 1.356 20 30 EDEDLO C=C[C@H](CO)NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000290968916 443723228 /nfs/dbraw/zinc/72/32/28/443723228.db2.gz IJJKYJMWPYLGAH-MJBXVCDLSA-N 1 2 339.461 1.356 20 30 EDEDLO C=C(C)CS(=O)(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000280486160 443725095 /nfs/dbraw/zinc/72/50/95/443725095.db2.gz BBHSGOISUZYHKL-HNNXBMFYSA-N 1 2 338.477 1.088 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)OC)c(OC)c1 ZINC000280701965 443741670 /nfs/dbraw/zinc/74/16/70/443741670.db2.gz ILKDSBFKLGPTFC-ZFWWWQNUSA-N 1 2 337.416 1.657 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)OC)c(OC)c1 ZINC000280701965 443741673 /nfs/dbraw/zinc/74/16/73/443741673.db2.gz ILKDSBFKLGPTFC-ZFWWWQNUSA-N 1 2 337.416 1.657 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280753751 443743979 /nfs/dbraw/zinc/74/39/79/443743979.db2.gz IEAZIXQDXLBGNR-WMLDXEAASA-N 1 2 326.400 1.077 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284713278 443785072 /nfs/dbraw/zinc/78/50/72/443785072.db2.gz VDYIQGQLNMHKQJ-ZBFHGGJFSA-N 1 2 330.388 1.504 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284713278 443785073 /nfs/dbraw/zinc/78/50/73/443785073.db2.gz VDYIQGQLNMHKQJ-ZBFHGGJFSA-N 1 2 330.388 1.504 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000292256659 443787673 /nfs/dbraw/zinc/78/76/73/443787673.db2.gz FDJIGLQHEPVTCZ-HUUCEWRRSA-N 1 2 346.431 1.213 20 30 EDEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000298518706 443789885 /nfs/dbraw/zinc/78/98/85/443789885.db2.gz LHHMYEHFVZXMKG-OAHLLOKOSA-N 1 2 327.428 1.247 20 30 EDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000298518706 443789888 /nfs/dbraw/zinc/78/98/88/443789888.db2.gz LHHMYEHFVZXMKG-OAHLLOKOSA-N 1 2 327.428 1.247 20 30 EDEDLO COC(=O)c1occc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292390861 443793444 /nfs/dbraw/zinc/79/34/44/443793444.db2.gz ZUAANARPJIMRQY-AWEZNQCLSA-N 1 2 327.340 1.986 20 30 EDEDLO COC(=O)c1occc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292390861 443793448 /nfs/dbraw/zinc/79/34/48/443793448.db2.gz ZUAANARPJIMRQY-AWEZNQCLSA-N 1 2 327.340 1.986 20 30 EDEDLO C=CCN1CC[C@H](N(C)c2nc(NCC)[nH+]c(NC(C)(C)C)n2)C1=O ZINC000287729239 443756237 /nfs/dbraw/zinc/75/62/37/443756237.db2.gz LQEDQDFCFHIPOS-LBPRGKRZSA-N 1 2 347.467 1.737 20 30 EDEDLO C=CCN1CC[C@H](N(C)c2nc(NC(C)(C)C)nc(NCC)[nH+]2)C1=O ZINC000287729239 443756241 /nfs/dbraw/zinc/75/62/41/443756241.db2.gz LQEDQDFCFHIPOS-LBPRGKRZSA-N 1 2 347.467 1.737 20 30 EDEDLO C=CCN1CC[C@H](N(C)c2nc(NCC)nc(NC(C)(C)C)[nH+]2)C1=O ZINC000287729239 443756244 /nfs/dbraw/zinc/75/62/44/443756244.db2.gz LQEDQDFCFHIPOS-LBPRGKRZSA-N 1 2 347.467 1.737 20 30 EDEDLO Cc1nc(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)ccc1C#N ZINC000291556158 443761023 /nfs/dbraw/zinc/76/10/23/443761023.db2.gz BPEIPZZAGJBWDW-HNNXBMFYSA-N 1 2 341.459 1.785 20 30 EDEDLO Cc1c(NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284083361 443763691 /nfs/dbraw/zinc/76/36/91/443763691.db2.gz KNPRNSSQCZGHBU-MFKMUULPSA-N 1 2 336.348 1.698 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CCCc3occc32)CC1 ZINC000284212078 443770002 /nfs/dbraw/zinc/77/00/02/443770002.db2.gz SSQQLMZQBYBOLD-CQSZACIVSA-N 1 2 344.415 1.220 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284225476 443770074 /nfs/dbraw/zinc/77/00/74/443770074.db2.gz JZSISTYVGQFZIK-WCQYABFASA-N 1 2 341.371 1.441 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000284225476 443770076 /nfs/dbraw/zinc/77/00/76/443770076.db2.gz JZSISTYVGQFZIK-WCQYABFASA-N 1 2 341.371 1.441 20 30 EDEDLO CO[C@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOC1 ZINC000276638797 443774629 /nfs/dbraw/zinc/77/46/29/443774629.db2.gz WDFOYKDHDHUEKE-GOSISDBHSA-N 1 2 329.400 1.008 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000284511807 443778220 /nfs/dbraw/zinc/77/82/20/443778220.db2.gz QRRNQOAITHWFKS-UHFFFAOYSA-N 1 2 344.459 1.969 20 30 EDEDLO C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC(=O)NC1 ZINC000281030732 443799826 /nfs/dbraw/zinc/79/98/26/443799826.db2.gz CAIRVPCVCXMYMM-LJQANCHMSA-N 1 2 340.427 1.119 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2OC)C1=O ZINC000281113480 443823079 /nfs/dbraw/zinc/82/30/79/443823079.db2.gz BJTUWBAAZYELMW-AWEZNQCLSA-N 1 2 334.416 1.931 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2OC)C1=O ZINC000281113480 443823085 /nfs/dbraw/zinc/82/30/85/443823085.db2.gz BJTUWBAAZYELMW-AWEZNQCLSA-N 1 2 334.416 1.931 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2ccccc2C#N)C1 ZINC000277015897 443889921 /nfs/dbraw/zinc/88/99/21/443889921.db2.gz YYFYPVJILPPBBK-INIZCTEOSA-N 1 2 349.456 1.290 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2ccccc2C#N)C1 ZINC000277015897 443889927 /nfs/dbraw/zinc/88/99/27/443889927.db2.gz YYFYPVJILPPBBK-INIZCTEOSA-N 1 2 349.456 1.290 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCc2cccc(OC)c2)C1=O ZINC000281381911 443895655 /nfs/dbraw/zinc/89/56/55/443895655.db2.gz PCJVYKILFYWUKZ-RHSMWYFYSA-N 1 2 345.443 1.419 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCc2cccc(OC)c2)C1=O ZINC000281381911 443895662 /nfs/dbraw/zinc/89/56/62/443895662.db2.gz PCJVYKILFYWUKZ-RHSMWYFYSA-N 1 2 345.443 1.419 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000285115668 443861595 /nfs/dbraw/zinc/86/15/95/443861595.db2.gz MGIVSWFDHFGNOB-IBGZPJMESA-N 1 2 345.443 1.954 20 30 EDEDLO CC(C)(C)n1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000292870128 443865157 /nfs/dbraw/zinc/86/51/57/443865157.db2.gz WJMKHRWDNTZCLV-OAHLLOKOSA-N 1 2 326.404 1.953 20 30 EDEDLO CC(C)(C)n1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1 ZINC000292870128 443865159 /nfs/dbraw/zinc/86/51/59/443865159.db2.gz WJMKHRWDNTZCLV-OAHLLOKOSA-N 1 2 326.404 1.953 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCNC(C)=O)Cc1ccsc1 ZINC000298809432 443874015 /nfs/dbraw/zinc/87/40/15/443874015.db2.gz RJEUDJAHWOHEKB-UHFFFAOYSA-N 1 2 335.473 1.887 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+](CCNC(C)=O)Cc1ccsc1 ZINC000298809432 443874020 /nfs/dbraw/zinc/87/40/20/443874020.db2.gz RJEUDJAHWOHEKB-UHFFFAOYSA-N 1 2 335.473 1.887 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2oc(C(C)C)nc2C)CC1 ZINC000293032923 443907924 /nfs/dbraw/zinc/90/79/24/443907924.db2.gz JAUSDAIPYUXYHH-UHFFFAOYSA-N 1 2 346.431 1.004 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2oc(C(C)C)nc2C)CC1 ZINC000293032923 443907927 /nfs/dbraw/zinc/90/79/27/443907927.db2.gz JAUSDAIPYUXYHH-UHFFFAOYSA-N 1 2 346.431 1.004 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281600086 443955266 /nfs/dbraw/zinc/95/52/66/443955266.db2.gz GFZQOADTYPWPBL-SJORKVTESA-N 1 2 344.390 1.589 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281600086 443955270 /nfs/dbraw/zinc/95/52/70/443955270.db2.gz GFZQOADTYPWPBL-SJORKVTESA-N 1 2 344.390 1.589 20 30 EDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000299347851 444023982 /nfs/dbraw/zinc/02/39/82/444023982.db2.gz QQZIJRZKRDZAOM-CABCVRRESA-N 1 2 328.412 1.838 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000281876715 444029322 /nfs/dbraw/zinc/02/93/22/444029322.db2.gz VDMLNFNPHUVJRB-MSOLQXFVSA-N 1 2 344.459 1.890 20 30 EDEDLO C=CCC(F)(F)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000293622892 444072878 /nfs/dbraw/zinc/07/28/78/444072878.db2.gz FWDQVVXRIYZWKJ-CQSZACIVSA-N 1 2 338.402 1.920 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccccc3OCC)CC2)C1=O ZINC000282067873 444077844 /nfs/dbraw/zinc/07/78/44/444077844.db2.gz SPHCYCMHXNXDQM-QGZVFWFLSA-N 1 2 329.444 1.994 20 30 EDEDLO Cc1nc(CC[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)no1 ZINC000299565008 444080626 /nfs/dbraw/zinc/08/06/26/444080626.db2.gz GIKTVUHBNUOKLV-UHFFFAOYSA-N 1 2 327.388 1.799 20 30 EDEDLO Cc1nc(CC[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)no1 ZINC000299565008 444080628 /nfs/dbraw/zinc/08/06/28/444080628.db2.gz GIKTVUHBNUOKLV-UHFFFAOYSA-N 1 2 327.388 1.799 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)CC[C@@H]21 ZINC000285660469 444063655 /nfs/dbraw/zinc/06/36/55/444063655.db2.gz GJXJHNOJBGOVNS-KGLIPLIRSA-N 1 2 347.806 1.248 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)CC[C@@H]21 ZINC000285660469 444063660 /nfs/dbraw/zinc/06/36/60/444063660.db2.gz GJXJHNOJBGOVNS-KGLIPLIRSA-N 1 2 347.806 1.248 20 30 EDEDLO CCOc1cc(CO[NH+]=C(N)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000277916749 444065170 /nfs/dbraw/zinc/06/51/70/444065170.db2.gz SILNLNPCHCOHDF-UHFFFAOYSA-N 1 2 338.364 1.115 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)C1=O ZINC000282090895 444083965 /nfs/dbraw/zinc/08/39/65/444083965.db2.gz VHFCZDJWNQKACR-INIZCTEOSA-N 1 2 349.456 1.203 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCc3c(cccc3NS(C)(=O)=O)C2)C1=O ZINC000282090895 444083970 /nfs/dbraw/zinc/08/39/70/444083970.db2.gz VHFCZDJWNQKACR-INIZCTEOSA-N 1 2 349.456 1.203 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c(C#N)c1C ZINC000563022851 321089075 /nfs/dbraw/zinc/08/90/75/321089075.db2.gz LKEBVAYXIQYIAE-NSHDSACASA-N 1 2 330.417 1.783 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c(C#N)c1C ZINC000563022851 321089077 /nfs/dbraw/zinc/08/90/77/321089077.db2.gz LKEBVAYXIQYIAE-NSHDSACASA-N 1 2 330.417 1.783 20 30 EDEDLO CN(C)c1ccnc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000299638244 444102172 /nfs/dbraw/zinc/10/21/72/444102172.db2.gz XPEMYPNRPWJAQO-UHFFFAOYSA-N 1 2 349.438 1.977 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[NH+](CCCNc2nccc(C#N)n2)CC1 ZINC000294806117 444145308 /nfs/dbraw/zinc/14/53/08/444145308.db2.gz CPBHRUMPQKCSGA-UHFFFAOYSA-N 1 2 346.435 1.703 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]([NH3+])CC)cc2[nH]c1=S ZINC000295160268 444167116 /nfs/dbraw/zinc/16/71/16/444167116.db2.gz DSJQNANECLJBBG-NSHDSACASA-N 1 2 332.429 1.338 20 30 EDEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000282237963 444123333 /nfs/dbraw/zinc/12/33/33/444123333.db2.gz CWKJVXJAFXHWOH-CQSZACIVSA-N 1 2 341.481 1.636 20 30 EDEDLO CC[C@@]1(CO)CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289931067 444221109 /nfs/dbraw/zinc/22/11/09/444221109.db2.gz OHGFPQIXUBGIOJ-MRXNPFEDSA-N 1 2 337.445 1.211 20 30 EDEDLO CC[C@@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289931067 444221111 /nfs/dbraw/zinc/22/11/11/444221111.db2.gz OHGFPQIXUBGIOJ-MRXNPFEDSA-N 1 2 337.445 1.211 20 30 EDEDLO Cc1cc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c(C#N)cn1 ZINC000576510234 321572392 /nfs/dbraw/zinc/57/23/92/321572392.db2.gz RYVUQGAHGCVDTE-UHFFFAOYSA-N 1 2 327.432 1.396 20 30 EDEDLO C[N@H+](CCc1cccs1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290226596 444256655 /nfs/dbraw/zinc/25/66/55/444256655.db2.gz IHTSEEWFJCEJAJ-UHFFFAOYSA-N 1 2 335.454 1.963 20 30 EDEDLO C[N@@H+](CCc1cccs1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290226596 444256658 /nfs/dbraw/zinc/25/66/58/444256658.db2.gz IHTSEEWFJCEJAJ-UHFFFAOYSA-N 1 2 335.454 1.963 20 30 EDEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000305095983 444257745 /nfs/dbraw/zinc/25/77/45/444257745.db2.gz SKFOBOQEQPZFPU-INIZCTEOSA-N 1 2 338.473 1.628 20 30 EDEDLO N#Cc1cc(Br)cnc1NCC1([NH+]2CCOCC2)CC1 ZINC000296854670 444258996 /nfs/dbraw/zinc/25/89/96/444258996.db2.gz ULSVEXRPYARXLT-UHFFFAOYSA-N 1 2 337.221 1.992 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCN(C=O)CC2)cc1 ZINC000297334791 444282970 /nfs/dbraw/zinc/28/29/70/444282970.db2.gz DCDFKHPLIGMESA-QGZVFWFLSA-N 1 2 342.443 1.794 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCN(C=O)CC2)cc1 ZINC000297334791 444282971 /nfs/dbraw/zinc/28/29/71/444282971.db2.gz DCDFKHPLIGMESA-QGZVFWFLSA-N 1 2 342.443 1.794 20 30 EDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000297731385 444325172 /nfs/dbraw/zinc/32/51/72/444325172.db2.gz CADRDIBLKNGUQT-CQSZACIVSA-N 1 2 345.418 1.373 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000297731385 444325175 /nfs/dbraw/zinc/32/51/75/444325175.db2.gz CADRDIBLKNGUQT-CQSZACIVSA-N 1 2 345.418 1.373 20 30 EDEDLO CCCn1nccc1NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000328790825 444353914 /nfs/dbraw/zinc/35/39/14/444353914.db2.gz YZFRTKSPESHNPG-ZDUSSCGKSA-N 1 2 348.451 1.950 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC2(C)C)CC1 ZINC000328800224 444357415 /nfs/dbraw/zinc/35/74/15/444357415.db2.gz ICGANOKLXFGHNY-CABCVRRESA-N 1 2 336.480 1.718 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340198909 444369685 /nfs/dbraw/zinc/36/96/85/444369685.db2.gz DHVPYIWONLTNOB-JSGCOSHPSA-N 1 2 346.353 1.420 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340198909 444369690 /nfs/dbraw/zinc/36/96/90/444369690.db2.gz DHVPYIWONLTNOB-JSGCOSHPSA-N 1 2 346.353 1.420 20 30 EDEDLO C[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCC1)[NH+]1CCOCC1 ZINC000328865937 444380567 /nfs/dbraw/zinc/38/05/67/444380567.db2.gz BUYRJXQELUBXIT-OCCSQVGLSA-N 1 2 341.477 1.365 20 30 EDEDLO Cn1cnc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)c1 ZINC000328882201 444387355 /nfs/dbraw/zinc/38/73/55/444387355.db2.gz LPEFFLTYWJVTFU-UHFFFAOYSA-N 1 2 326.360 1.769 20 30 EDEDLO CN(CCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)CC(F)(F)F ZINC000331218979 444448483 /nfs/dbraw/zinc/44/84/83/444448483.db2.gz HXESMORRHKGXMO-UHFFFAOYSA-N 1 2 333.358 1.997 20 30 EDEDLO CN(CCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)CC(F)(F)F ZINC000331218979 444448486 /nfs/dbraw/zinc/44/84/86/444448486.db2.gz HXESMORRHKGXMO-UHFFFAOYSA-N 1 2 333.358 1.997 20 30 EDEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1COCCN1C ZINC000329042223 444455578 /nfs/dbraw/zinc/45/55/78/444455578.db2.gz TVKASPAKAPQBGV-KRWDZBQOSA-N 1 2 333.432 1.746 20 30 EDEDLO Cn1nc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1OC(F)F ZINC000331325389 444465677 /nfs/dbraw/zinc/46/56/77/444465677.db2.gz GDJVZUQUUUGTFP-UHFFFAOYSA-N 1 2 332.351 1.437 20 30 EDEDLO Cc1[nH+]ccn1C[C@H](C)CNC([O-])=[NH+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329118750 444476835 /nfs/dbraw/zinc/47/68/35/444476835.db2.gz OQOYMVCABZMFFT-FRFSOERESA-N 1 2 336.436 1.669 20 30 EDEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329118750 444476836 /nfs/dbraw/zinc/47/68/36/444476836.db2.gz OQOYMVCABZMFFT-FRFSOERESA-N 1 2 336.436 1.669 20 30 EDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@@]2(CCOC2)O1 ZINC000331554978 444477933 /nfs/dbraw/zinc/47/79/33/444477933.db2.gz GBKJPXFTCWSQRE-JOCBIADPSA-N 1 2 337.464 1.699 20 30 EDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@@]2(CCOC2)O1 ZINC000331554978 444477936 /nfs/dbraw/zinc/47/79/36/444477936.db2.gz GBKJPXFTCWSQRE-JOCBIADPSA-N 1 2 337.464 1.699 20 30 EDEDLO O=C(NC[C@H]1COCCO1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000329167450 444489930 /nfs/dbraw/zinc/48/99/30/444489930.db2.gz IHXUHYRLJVMMEO-INIZCTEOSA-N 1 2 337.395 1.273 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2nccn3ccnc23)CCO1 ZINC000329195017 444497689 /nfs/dbraw/zinc/49/76/89/444497689.db2.gz SFGFSFUBTQBIAX-AAEUAGOBSA-N 1 2 326.360 1.688 20 30 EDEDLO C[C@H]1CCN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C[C@H](C)C1 ZINC000332310935 444509449 /nfs/dbraw/zinc/50/94/49/444509449.db2.gz MTSZTZSBTMMJPL-LSDHHAIUSA-N 1 2 334.464 1.327 20 30 EDEDLO C=C[C@H](C)NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000340806567 444517328 /nfs/dbraw/zinc/51/73/28/444517328.db2.gz XJIYGCKUDSCCKK-UONOGXRCSA-N 1 2 331.416 1.709 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3nccc(C(F)F)n3)C[C@H]21 ZINC000329323617 444535731 /nfs/dbraw/zinc/53/57/31/444535731.db2.gz VFKRYZUUVWQUID-VXGBXAGGSA-N 1 2 341.362 1.233 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3nccc(C(F)F)n3)C[C@H]21 ZINC000329323617 444535735 /nfs/dbraw/zinc/53/57/35/444535735.db2.gz VFKRYZUUVWQUID-VXGBXAGGSA-N 1 2 341.362 1.233 20 30 EDEDLO COc1cncc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1 ZINC000343748829 444562942 /nfs/dbraw/zinc/56/29/42/444562942.db2.gz IPDMCJCQEMKUJO-UHFFFAOYSA-N 1 2 326.404 1.326 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOc4cc(F)ccc43)C[C@@H]21 ZINC000329425796 444574887 /nfs/dbraw/zinc/57/48/87/444574887.db2.gz GLQSFHURRCZTEF-HLLBOEOZSA-N 1 2 349.406 1.968 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOc4cc(F)ccc43)C[C@@H]21 ZINC000329425796 444574889 /nfs/dbraw/zinc/57/48/89/444574889.db2.gz GLQSFHURRCZTEF-HLLBOEOZSA-N 1 2 349.406 1.968 20 30 EDEDLO C[C@H](CNC(=O)c1cc2nc[nH]c2cc1F)CN1CC[NH+](C)CC1 ZINC000329368802 444552402 /nfs/dbraw/zinc/55/24/02/444552402.db2.gz JHAPDENSDCWDIL-GFCCVEGCSA-N 1 2 333.411 1.890 20 30 EDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000329459319 444588290 /nfs/dbraw/zinc/58/82/90/444588290.db2.gz OUQSJEIWFLNRCI-INIZCTEOSA-N 1 2 348.447 1.131 20 30 EDEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000329473184 444594695 /nfs/dbraw/zinc/59/46/95/444594695.db2.gz ZQEHSFHBFBGSOO-KRWDZBQOSA-N 1 2 347.459 1.947 20 30 EDEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000329473184 444594699 /nfs/dbraw/zinc/59/46/99/444594699.db2.gz ZQEHSFHBFBGSOO-KRWDZBQOSA-N 1 2 347.459 1.947 20 30 EDEDLO Cc1nc(N2CCN(C(=O)Nc3cccc4c3OCO4)CC2)cc[nH+]1 ZINC000329504625 444607739 /nfs/dbraw/zinc/60/77/39/444607739.db2.gz IJUFWQSIVNKVMW-UHFFFAOYSA-N 1 2 341.371 1.881 20 30 EDEDLO Cc1nn(C)c2cc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)ccc12 ZINC000329619696 444651766 /nfs/dbraw/zinc/65/17/66/444651766.db2.gz MJJWYNQTJFJENZ-JKSUJKDBSA-N 1 2 329.404 1.442 20 30 EDEDLO Cc1nn(C)c2cc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)ccc12 ZINC000329619696 444651769 /nfs/dbraw/zinc/65/17/69/444651769.db2.gz MJJWYNQTJFJENZ-JKSUJKDBSA-N 1 2 329.404 1.442 20 30 EDEDLO O=C(C[N@H+]1CCSC[C@H]1CO)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000329631153 444656448 /nfs/dbraw/zinc/65/64/48/444656448.db2.gz IFMYGZVDVQTEGA-DOTOQJQBSA-N 1 2 349.500 1.879 20 30 EDEDLO O=C(C[N@@H+]1CCSC[C@H]1CO)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000329631153 444656453 /nfs/dbraw/zinc/65/64/53/444656453.db2.gz IFMYGZVDVQTEGA-DOTOQJQBSA-N 1 2 349.500 1.879 20 30 EDEDLO Cn1cc([C@@H]2CSCCN2C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000329634526 444658290 /nfs/dbraw/zinc/65/82/90/444658290.db2.gz TYYNDYPTKFZURU-WFASDCNBSA-N 1 2 346.460 1.705 20 30 EDEDLO Cn1cc([C@@H]2CSCCN2C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000329634526 444658293 /nfs/dbraw/zinc/65/82/93/444658293.db2.gz TYYNDYPTKFZURU-WFASDCNBSA-N 1 2 346.460 1.705 20 30 EDEDLO NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)O1 ZINC000329579875 444635799 /nfs/dbraw/zinc/63/57/99/444635799.db2.gz WSLYJWXCSOPTLM-RDBSUJKOSA-N 1 2 325.409 1.669 20 30 EDEDLO NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)O1 ZINC000329579875 444635805 /nfs/dbraw/zinc/63/58/05/444635805.db2.gz WSLYJWXCSOPTLM-RDBSUJKOSA-N 1 2 325.409 1.669 20 30 EDEDLO Cc1ccc(CNC(=O)C2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)cc1 ZINC000329595677 444641705 /nfs/dbraw/zinc/64/17/05/444641705.db2.gz OYZTXHCSIICKJY-UHFFFAOYSA-N 1 2 343.431 1.786 20 30 EDEDLO CC(C)O[C@@H]1C[C@H](NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C1(C)C ZINC000329612784 444648053 /nfs/dbraw/zinc/64/80/53/444648053.db2.gz KDSJIBZZHYWPHT-ZQDZILKHSA-N 1 2 325.453 1.507 20 30 EDEDLO CC(C)O[C@@H]1C[C@H](NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1(C)C ZINC000329612784 444648055 /nfs/dbraw/zinc/64/80/55/444648055.db2.gz KDSJIBZZHYWPHT-ZQDZILKHSA-N 1 2 325.453 1.507 20 30 EDEDLO Cc1ccnn1-c1ccccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329750171 444701196 /nfs/dbraw/zinc/70/11/96/444701196.db2.gz HYTQLJWUXJKIMU-DLBZAZTESA-N 1 2 341.415 1.741 20 30 EDEDLO Cc1ccnn1-c1ccccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329750171 444701200 /nfs/dbraw/zinc/70/12/00/444701200.db2.gz HYTQLJWUXJKIMU-DLBZAZTESA-N 1 2 341.415 1.741 20 30 EDEDLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1cc(-n2cnnn2)ccc1F ZINC000329769638 444710204 /nfs/dbraw/zinc/71/02/04/444710204.db2.gz FMFADGCQBBILBF-PHIMTYICSA-N 1 2 344.350 1.585 20 30 EDEDLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2)Nc1cc(-n2cnnn2)ccc1F ZINC000329769638 444710208 /nfs/dbraw/zinc/71/02/08/444710208.db2.gz FMFADGCQBBILBF-PHIMTYICSA-N 1 2 344.350 1.585 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000342499902 444717715 /nfs/dbraw/zinc/71/77/15/444717715.db2.gz AMCRCRFSGRENSA-LBPRGKRZSA-N 1 2 337.387 1.575 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cscc2C#N)nc[nH+]1 ZINC000341149117 444697099 /nfs/dbraw/zinc/69/70/99/444697099.db2.gz AEPOARNPEOJPHZ-LBPRGKRZSA-N 1 2 342.428 1.850 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cscc2C#N)[nH+]cn1 ZINC000341149117 444697105 /nfs/dbraw/zinc/69/71/05/444697105.db2.gz AEPOARNPEOJPHZ-LBPRGKRZSA-N 1 2 342.428 1.850 20 30 EDEDLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cc(C#N)n1 ZINC000342562045 444745612 /nfs/dbraw/zinc/74/56/12/444745612.db2.gz HICPQTICSWTLPH-OAHLLOKOSA-N 1 2 327.432 1.395 20 30 EDEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1Cl ZINC000329930329 444774108 /nfs/dbraw/zinc/77/41/08/444774108.db2.gz OHUZIQSBFWFCOV-TZMCWYRMSA-N 1 2 325.796 1.909 20 30 EDEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1Cl ZINC000329930329 444774111 /nfs/dbraw/zinc/77/41/11/444774111.db2.gz OHUZIQSBFWFCOV-TZMCWYRMSA-N 1 2 325.796 1.909 20 30 EDEDLO CC1(C)CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C[C@@]2(CCOC2)O1 ZINC000329983658 444799236 /nfs/dbraw/zinc/79/92/36/444799236.db2.gz BLBVXNFTMSMRJK-KBXCAEBGSA-N 1 2 348.447 1.629 20 30 EDEDLO O=C(NCC[NH+]1CCOCC1)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000330041787 444821800 /nfs/dbraw/zinc/82/18/00/444821800.db2.gz GIFUAWFQIRFUKO-IAGOWNOFSA-N 1 2 333.432 1.600 20 30 EDEDLO C[C@H](CNC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1)[NH+]1CCOCC1 ZINC000330209920 444889473 /nfs/dbraw/zinc/88/94/73/444889473.db2.gz HYPUJXDRPZENPV-IIAWOOMASA-N 1 2 343.493 1.265 20 30 EDEDLO Cc1nccc(NC(=O)N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)n1 ZINC000330280185 444920458 /nfs/dbraw/zinc/92/04/58/444920458.db2.gz SCONHLOXJBTBGM-ZDUSSCGKSA-N 1 2 342.403 1.945 20 30 EDEDLO C[C@H](CC#N)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000344404751 444944922 /nfs/dbraw/zinc/94/49/22/444944922.db2.gz KOJYLGIZVDVRER-KFNAQCHYSA-N 1 2 329.404 1.281 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000330370520 444956139 /nfs/dbraw/zinc/95/61/39/444956139.db2.gz FOMWJEXZQCPRGV-JSGCOSHPSA-N 1 2 339.465 1.385 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc1OCCCC#N ZINC000338968400 444960997 /nfs/dbraw/zinc/96/09/97/444960997.db2.gz NGLREBDVYQZRQE-IYBDPMFKSA-N 1 2 332.400 1.977 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cc1OCCCC#N ZINC000338968400 444961002 /nfs/dbraw/zinc/96/10/02/444961002.db2.gz NGLREBDVYQZRQE-IYBDPMFKSA-N 1 2 332.400 1.977 20 30 EDEDLO Cc1cc(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)cc(C#N)n1 ZINC000341746408 444982819 /nfs/dbraw/zinc/98/28/19/444982819.db2.gz WJPZLDCZHOQPDY-MRXNPFEDSA-N 1 2 341.459 1.785 20 30 EDEDLO COc1ccccc1[C@H](C)NC(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330313378 444932835 /nfs/dbraw/zinc/93/28/35/444932835.db2.gz XDWYJYSZGOWUOB-LXZKKBNFSA-N 1 2 333.432 1.728 20 30 EDEDLO COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330313378 444932839 /nfs/dbraw/zinc/93/28/39/444932839.db2.gz XDWYJYSZGOWUOB-LXZKKBNFSA-N 1 2 333.432 1.728 20 30 EDEDLO COc1ccccc1[C@H](C)NC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330313378 444932843 /nfs/dbraw/zinc/93/28/43/444932843.db2.gz XDWYJYSZGOWUOB-LXZKKBNFSA-N 1 2 333.432 1.728 20 30 EDEDLO COc1ccccc1[C@H](C)NC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330313378 444932847 /nfs/dbraw/zinc/93/28/47/444932847.db2.gz XDWYJYSZGOWUOB-LXZKKBNFSA-N 1 2 333.432 1.728 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000337097448 444941879 /nfs/dbraw/zinc/94/18/79/444941879.db2.gz SBHUMCQOSFCXLR-ZDUSSCGKSA-N 1 2 333.417 1.298 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccnn2C2CCCC2)C1=O ZINC000337220432 444991312 /nfs/dbraw/zinc/99/13/12/444991312.db2.gz KLNMCHOKXWERGV-HNNXBMFYSA-N 1 2 345.447 1.655 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccnn2C2CCCC2)C1=O ZINC000337220432 444991316 /nfs/dbraw/zinc/99/13/16/444991316.db2.gz KLNMCHOKXWERGV-HNNXBMFYSA-N 1 2 345.447 1.655 20 30 EDEDLO Cc1cc(Cl)c(C(=O)N[C@H](CO)C[NH+]2CCOCC2)cc1C ZINC000330468771 444993830 /nfs/dbraw/zinc/99/38/30/444993830.db2.gz YRHYQQASCYKHKN-ZDUSSCGKSA-N 1 2 326.824 1.955 20 30 EDEDLO Cc1cc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)no1 ZINC000341796931 445005745 /nfs/dbraw/zinc/00/57/45/445005745.db2.gz FENWHVNJZLLAOZ-INIZCTEOSA-N 1 2 340.383 2.257 20 30 EDEDLO Cc1cc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)no1 ZINC000341796931 445005748 /nfs/dbraw/zinc/00/57/48/445005748.db2.gz FENWHVNJZLLAOZ-INIZCTEOSA-N 1 2 340.383 2.257 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000343085660 445052262 /nfs/dbraw/zinc/05/22/62/445052262.db2.gz OZKNOLNMXKOOCA-UHFFFAOYSA-N 1 2 339.399 1.763 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)NCCOc2cccc(C)c2)CC1 ZINC000341993245 445112789 /nfs/dbraw/zinc/11/27/89/445112789.db2.gz PELQDXYQKRUPNX-UHFFFAOYSA-N 1 2 345.443 1.742 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000342012012 445122470 /nfs/dbraw/zinc/12/24/70/445122470.db2.gz FGCLPOZYTDXORD-CRAIPNDOSA-N 1 2 345.443 1.799 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)C[C@@H](O)C(F)(F)F)CCC2 ZINC000330847074 445163822 /nfs/dbraw/zinc/16/38/22/445163822.db2.gz LUCWVGOOOPELLR-WDEREUQCSA-N 1 2 334.342 1.838 20 30 EDEDLO C[C@@]([NH2+]CC(=O)NCc1ccc(C#N)cc1)(C(N)=O)c1ccccc1 ZINC000337647833 445186734 /nfs/dbraw/zinc/18/67/34/445186734.db2.gz JHMVZUYBPQSVMN-IBGZPJMESA-N 1 2 336.395 1.165 20 30 EDEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000330952265 445200588 /nfs/dbraw/zinc/20/05/88/445200588.db2.gz QNMXSAQMTSFKHM-JTQLQIEISA-N 1 2 328.775 1.625 20 30 EDEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000330952265 445200591 /nfs/dbraw/zinc/20/05/91/445200591.db2.gz QNMXSAQMTSFKHM-JTQLQIEISA-N 1 2 328.775 1.625 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)c1 ZINC000347949110 445257092 /nfs/dbraw/zinc/25/70/92/445257092.db2.gz HFOJIKXESBHSOK-CQSZACIVSA-N 1 2 348.428 1.755 20 30 EDEDLO C=CCOC[C@H]1NC(=O)N(Cc2cccc(-n3cc[nH+]c3)c2)C1=O ZINC000348595261 445334880 /nfs/dbraw/zinc/33/48/80/445334880.db2.gz ZEZXINZRPZUIMB-OAHLLOKOSA-N 1 2 326.356 1.495 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000349116162 445512071 /nfs/dbraw/zinc/51/20/71/445512071.db2.gz GLSPTXIYJBTARX-UHFFFAOYSA-N 1 2 334.423 1.997 20 30 EDEDLO C[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cccnc1 ZINC000359930922 445493932 /nfs/dbraw/zinc/49/39/32/445493932.db2.gz GHUVSZFXIUAQON-INIZCTEOSA-N 1 2 330.432 1.650 20 30 EDEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000352818424 445556919 /nfs/dbraw/zinc/55/69/19/445556919.db2.gz LNJHVCHFXPKCMK-INIZCTEOSA-N 1 2 337.420 1.190 20 30 EDEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000352818424 445556924 /nfs/dbraw/zinc/55/69/24/445556924.db2.gz LNJHVCHFXPKCMK-INIZCTEOSA-N 1 2 337.420 1.190 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2COC[C@@H]2O)c1C ZINC000352815623 445557650 /nfs/dbraw/zinc/55/76/50/445557650.db2.gz KVUBMFMLAGSXDH-IRXDYDNUSA-N 1 2 331.416 1.242 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2COC[C@@H]2O)c1C ZINC000352815623 445557655 /nfs/dbraw/zinc/55/76/55/445557655.db2.gz KVUBMFMLAGSXDH-IRXDYDNUSA-N 1 2 331.416 1.242 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000352861865 445560316 /nfs/dbraw/zinc/56/03/16/445560316.db2.gz KPQQBSLAEDRDLF-CABCVRRESA-N 1 2 341.477 1.053 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN([C@H](CC)C(=O)OC)CC1 ZINC000352670535 445547327 /nfs/dbraw/zinc/54/73/27/445547327.db2.gz FZPHBEWDFYCUTN-HZPDHXFCSA-N 1 2 337.464 1.145 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1CNC(=O)c1ccnc(C#N)c1 ZINC000356084058 445610605 /nfs/dbraw/zinc/61/06/05/445610605.db2.gz DHLSNQRYWVLACC-UKRRQHHQSA-N 1 2 342.378 1.029 20 30 EDEDLO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000349877483 445708696 /nfs/dbraw/zinc/70/86/96/445708696.db2.gz SGWXSJCIALLKKC-GOSISDBHSA-N 1 2 328.416 1.370 20 30 EDEDLO N#Cc1csc(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)n1 ZINC000356310016 445729249 /nfs/dbraw/zinc/72/92/49/445729249.db2.gz WOICXAXLWOBATR-UHFFFAOYSA-N 1 2 334.430 1.717 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000349953526 445733382 /nfs/dbraw/zinc/73/33/82/445733382.db2.gz CEMLNDLAMNQVSZ-CVEARBPZSA-N 1 2 335.427 1.387 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000349953526 445733386 /nfs/dbraw/zinc/73/33/86/445733386.db2.gz CEMLNDLAMNQVSZ-CVEARBPZSA-N 1 2 335.427 1.387 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000350153196 445781462 /nfs/dbraw/zinc/78/14/62/445781462.db2.gz KODIIARYYFZCEM-CYBMUJFWSA-N 1 2 344.419 1.093 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356474908 445810298 /nfs/dbraw/zinc/81/02/98/445810298.db2.gz LQMCQTMSJMPSMH-SUMWQHHRSA-N 1 2 332.452 1.417 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356474908 445810302 /nfs/dbraw/zinc/81/03/02/445810302.db2.gz LQMCQTMSJMPSMH-SUMWQHHRSA-N 1 2 332.452 1.417 20 30 EDEDLO Cc1cc[nH+]c(N2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)c1 ZINC000361689593 445878862 /nfs/dbraw/zinc/87/88/62/445878862.db2.gz OFLMKLVURJYZLB-UHFFFAOYSA-N 1 2 349.438 1.700 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000363533216 445846899 /nfs/dbraw/zinc/84/68/99/445846899.db2.gz BIFIRZNHWIJADY-CQSZACIVSA-N 1 2 332.429 1.325 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000363533216 445846902 /nfs/dbraw/zinc/84/69/02/445846902.db2.gz BIFIRZNHWIJADY-CQSZACIVSA-N 1 2 332.429 1.325 20 30 EDEDLO N#CCSCCC[N@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000364340534 445913369 /nfs/dbraw/zinc/91/33/69/445913369.db2.gz RXVGUAXVGAUDHE-AWEZNQCLSA-N 1 2 344.440 1.818 20 30 EDEDLO N#CCSCCC[N@@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000364340534 445913371 /nfs/dbraw/zinc/91/33/71/445913371.db2.gz RXVGUAXVGAUDHE-AWEZNQCLSA-N 1 2 344.440 1.818 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(O)c(OCC)c2)CC1 ZINC000359099167 445944414 /nfs/dbraw/zinc/94/44/14/445944414.db2.gz TZHYBEAZOBQOEL-UHFFFAOYSA-N 1 2 333.432 1.211 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000369281233 446046550 /nfs/dbraw/zinc/04/65/50/446046550.db2.gz BMQVAUFMKOLJCC-CQSZACIVSA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000369281233 446046558 /nfs/dbraw/zinc/04/65/58/446046558.db2.gz BMQVAUFMKOLJCC-CQSZACIVSA-N 1 2 329.400 1.767 20 30 EDEDLO C#Cc1cccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)c1 ZINC000366298919 446135894 /nfs/dbraw/zinc/13/58/94/446135894.db2.gz SGERPMSXNNWXNS-LJQANCHMSA-N 1 2 343.427 1.671 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000366365455 446174853 /nfs/dbraw/zinc/17/48/53/446174853.db2.gz DJKAJJPQFMEVTR-UHFFFAOYSA-N 1 2 329.400 1.056 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000366365455 446174858 /nfs/dbraw/zinc/17/48/58/446174858.db2.gz DJKAJJPQFMEVTR-UHFFFAOYSA-N 1 2 329.400 1.056 20 30 EDEDLO C=CCOCC(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000351586965 446183788 /nfs/dbraw/zinc/18/37/88/446183788.db2.gz PMFGGBLMVQHTKL-ZIAGYGMSSA-N 1 2 325.384 1.523 20 30 EDEDLO C=CCOCC(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000351586965 446183793 /nfs/dbraw/zinc/18/37/93/446183793.db2.gz PMFGGBLMVQHTKL-ZIAGYGMSSA-N 1 2 325.384 1.523 20 30 EDEDLO Cn1ncc2c1nc(NCc1nc(-c3cccc(C#N)c3)c[nH]1)[nH+]c2N ZINC000370118741 446184081 /nfs/dbraw/zinc/18/40/81/446184081.db2.gz CVGDOTDIXVQEOT-UHFFFAOYSA-N 1 2 345.370 1.819 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369791059 446155645 /nfs/dbraw/zinc/15/56/45/446155645.db2.gz PQGUGASCZHYCFZ-OAHLLOKOSA-N 1 2 330.436 1.421 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O)C1CC1 ZINC000366418465 446203058 /nfs/dbraw/zinc/20/30/58/446203058.db2.gz MLADFTLZBNSSCL-GDBMZVCRSA-N 1 2 341.477 1.084 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O)C1CC1 ZINC000366418465 446203062 /nfs/dbraw/zinc/20/30/62/446203062.db2.gz MLADFTLZBNSSCL-GDBMZVCRSA-N 1 2 341.477 1.084 20 30 EDEDLO C=CCOCCCC(=O)NC[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000351619205 446213504 /nfs/dbraw/zinc/21/35/04/446213504.db2.gz LLLRXSGHHAGSFE-LSDHHAIUSA-N 1 2 338.427 1.432 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1=O ZINC000373940948 446343727 /nfs/dbraw/zinc/34/37/27/446343727.db2.gz YNTPSBWXXQVNAZ-OAHLLOKOSA-N 1 2 345.447 1.190 20 30 EDEDLO COC(=O)C[C@@]1([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)CCOC1 ZINC000362274441 446298504 /nfs/dbraw/zinc/29/85/04/446298504.db2.gz BLTGFIOUNFJVAC-KRWDZBQOSA-N 1 2 342.355 1.420 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000366986732 446445708 /nfs/dbraw/zinc/44/57/08/446445708.db2.gz FVELTQGZLJYEKA-AWEZNQCLSA-N 1 2 336.399 1.749 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000366986732 446445714 /nfs/dbraw/zinc/44/57/14/446445714.db2.gz FVELTQGZLJYEKA-AWEZNQCLSA-N 1 2 336.399 1.749 20 30 EDEDLO C#CCCCS(=O)(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000376396362 446473141 /nfs/dbraw/zinc/47/31/41/446473141.db2.gz QMRQUWGSCNZKSA-OAHLLOKOSA-N 1 2 328.478 1.353 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccnc3nc(C)ccc32)CC1 ZINC000435490634 446698669 /nfs/dbraw/zinc/69/86/69/446698669.db2.gz IKUXVDZJBNEFTD-UHFFFAOYSA-N 1 2 325.416 1.362 20 30 EDEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435153294 446682337 /nfs/dbraw/zinc/68/23/37/446682337.db2.gz HVPXPANTTGZGGH-JTQLQIEISA-N 1 2 347.362 1.902 20 30 EDEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435153294 446682342 /nfs/dbraw/zinc/68/23/42/446682342.db2.gz HVPXPANTTGZGGH-JTQLQIEISA-N 1 2 347.362 1.902 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000375384629 446762226 /nfs/dbraw/zinc/76/22/26/446762226.db2.gz PJZNLIUMFQZQRC-SJORKVTESA-N 1 2 334.441 1.975 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000375384629 446762230 /nfs/dbraw/zinc/76/22/30/446762230.db2.gz PJZNLIUMFQZQRC-SJORKVTESA-N 1 2 334.441 1.975 20 30 EDEDLO CC#CCCNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000440716814 446853038 /nfs/dbraw/zinc/85/30/38/446853038.db2.gz SQAMBKBNYUBBSC-OAHLLOKOSA-N 1 2 343.427 1.548 20 30 EDEDLO C=CCCn1cc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)nn1 ZINC000424637946 446914444 /nfs/dbraw/zinc/91/44/44/446914444.db2.gz JHGRCTMKTAINEY-UHFFFAOYSA-N 1 2 342.325 1.885 20 30 EDEDLO Cc1ccc(N2CC[N@@H+](CCC(=O)N(C)CCC#N)CC2=O)cc1 ZINC000375616726 446927222 /nfs/dbraw/zinc/92/72/22/446927222.db2.gz JCBWMLNSCAXUAT-UHFFFAOYSA-N 1 2 328.416 1.406 20 30 EDEDLO Cc1ccc(N2CC[N@H+](CCC(=O)N(C)CCC#N)CC2=O)cc1 ZINC000375616726 446927230 /nfs/dbraw/zinc/92/72/30/446927230.db2.gz JCBWMLNSCAXUAT-UHFFFAOYSA-N 1 2 328.416 1.406 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000375648574 446948608 /nfs/dbraw/zinc/94/86/08/446948608.db2.gz XSFRUIOPOUOQMY-INIZCTEOSA-N 1 2 332.448 1.667 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)Cc2ccccc21 ZINC000372175843 447021323 /nfs/dbraw/zinc/02/13/23/447021323.db2.gz MSOYCBDMMBWHDQ-RHSMWYFYSA-N 1 2 343.427 1.909 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)Cc2ccccc21 ZINC000372175843 447021331 /nfs/dbraw/zinc/02/13/31/447021331.db2.gz MSOYCBDMMBWHDQ-RHSMWYFYSA-N 1 2 343.427 1.909 20 30 EDEDLO C=C(CC)CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000455080481 447043155 /nfs/dbraw/zinc/04/31/55/447043155.db2.gz ZQMOWNFYUMNTGG-UHFFFAOYSA-N 1 2 331.420 1.557 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3cccc(F)c3n2C)CC1 ZINC000443427563 447049617 /nfs/dbraw/zinc/04/96/17/447049617.db2.gz IJHMGTYCXJVNLF-UHFFFAOYSA-N 1 2 331.395 1.137 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000377305694 447053975 /nfs/dbraw/zinc/05/39/75/447053975.db2.gz MOYGZGHQDGQMTQ-INIZCTEOSA-N 1 2 325.372 1.575 20 30 EDEDLO Cc1cc(N2CCN(c3nc(C)nc4c3cnn4C)CC2)c(C#N)c[nH+]1 ZINC000425218983 447068273 /nfs/dbraw/zinc/06/82/73/447068273.db2.gz APDBOXCMMOZTRO-UHFFFAOYSA-N 1 2 348.414 1.573 20 30 EDEDLO Cn1cc[nH+]c1CN1CCCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000368798830 447113473 /nfs/dbraw/zinc/11/34/73/447113473.db2.gz GGWZMFKXYWGUHL-UHFFFAOYSA-N 1 2 341.390 1.779 20 30 EDEDLO C=CCn1cc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)nn1 ZINC000425261621 447086253 /nfs/dbraw/zinc/08/62/53/447086253.db2.gz DUDSJRYMNHKIHF-CYBMUJFWSA-N 1 2 329.408 1.075 20 30 EDEDLO C=CCn1cc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)nn1 ZINC000425261621 447086257 /nfs/dbraw/zinc/08/62/57/447086257.db2.gz DUDSJRYMNHKIHF-CYBMUJFWSA-N 1 2 329.408 1.075 20 30 EDEDLO C#CCOc1ccc(C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 ZINC000375838520 447091858 /nfs/dbraw/zinc/09/18/58/447091858.db2.gz GCPWBXMFNPRACC-MRXNPFEDSA-N 1 2 327.384 1.167 20 30 EDEDLO C#CCOc1ccc(C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 ZINC000375838520 447091862 /nfs/dbraw/zinc/09/18/62/447091862.db2.gz GCPWBXMFNPRACC-MRXNPFEDSA-N 1 2 327.384 1.167 20 30 EDEDLO N#C[C@H]1CC[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000425400495 447145755 /nfs/dbraw/zinc/14/57/55/447145755.db2.gz YAJRQTVBZVGHDZ-DZGCQCFKSA-N 1 2 329.404 1.410 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1F ZINC000455531413 447159563 /nfs/dbraw/zinc/15/95/63/447159563.db2.gz DNELCJQAKHIVGP-HNNXBMFYSA-N 1 2 332.379 1.313 20 30 EDEDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000375941742 447165291 /nfs/dbraw/zinc/16/52/91/447165291.db2.gz MPDSYGCICYBMHE-WSVYEEACSA-N 1 2 325.459 1.791 20 30 EDEDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000375941742 447165294 /nfs/dbraw/zinc/16/52/94/447165294.db2.gz MPDSYGCICYBMHE-WSVYEEACSA-N 1 2 325.459 1.791 20 30 EDEDLO C[C@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1c1ncc(C#N)cc1Cl ZINC000372655156 447208325 /nfs/dbraw/zinc/20/83/25/447208325.db2.gz LSMSIZFGNRLKJE-ZFWWWQNUSA-N 1 2 349.866 1.448 20 30 EDEDLO C[C@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1c1ncc(C#N)cc1Cl ZINC000372655156 447208329 /nfs/dbraw/zinc/20/83/29/447208329.db2.gz LSMSIZFGNRLKJE-ZFWWWQNUSA-N 1 2 349.866 1.448 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1C(=O)NC1CCCC1 ZINC000414137615 447276638 /nfs/dbraw/zinc/27/66/38/447276638.db2.gz JWCRADNHLFAUES-MRXNPFEDSA-N 1 2 345.443 1.944 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1C(=O)NC1CCCC1 ZINC000414137615 447276641 /nfs/dbraw/zinc/27/66/41/447276641.db2.gz JWCRADNHLFAUES-MRXNPFEDSA-N 1 2 345.443 1.944 20 30 EDEDLO CC1(C)C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1O ZINC000447930094 447300212 /nfs/dbraw/zinc/30/02/12/447300212.db2.gz VLPOGZZPXGERBN-OAHLLOKOSA-N 1 2 339.399 1.385 20 30 EDEDLO CC1(C)C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1O ZINC000447930094 447300216 /nfs/dbraw/zinc/30/02/16/447300216.db2.gz VLPOGZZPXGERBN-OAHLLOKOSA-N 1 2 339.399 1.385 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000450351236 447463826 /nfs/dbraw/zinc/46/38/26/447463826.db2.gz UJCWQQRIZKLZFM-UHFFFAOYSA-N 1 2 344.415 1.101 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000450351236 447463830 /nfs/dbraw/zinc/46/38/30/447463830.db2.gz UJCWQQRIZKLZFM-UHFFFAOYSA-N 1 2 344.415 1.101 20 30 EDEDLO C[C@H](c1ccccc1)[C@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000450463062 447496838 /nfs/dbraw/zinc/49/68/38/447496838.db2.gz LVSJXMJGIQQHLO-IEBWSBKVSA-N 1 2 331.460 1.699 20 30 EDEDLO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000450463062 447496847 /nfs/dbraw/zinc/49/68/47/447496847.db2.gz LVSJXMJGIQQHLO-IEBWSBKVSA-N 1 2 331.460 1.699 20 30 EDEDLO C[C@H](c1ccccc1)[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000450463062 447496854 /nfs/dbraw/zinc/49/68/54/447496854.db2.gz LVSJXMJGIQQHLO-IEBWSBKVSA-N 1 2 331.460 1.699 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000450540199 447521152 /nfs/dbraw/zinc/52/11/52/447521152.db2.gz ODVFJQWWMKJGDE-CYBMUJFWSA-N 1 2 332.360 1.763 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000450540199 447521159 /nfs/dbraw/zinc/52/11/59/447521159.db2.gz ODVFJQWWMKJGDE-CYBMUJFWSA-N 1 2 332.360 1.763 20 30 EDEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000427036576 447532676 /nfs/dbraw/zinc/53/26/76/447532676.db2.gz YVOZRKTXCHMJQN-NSHDSACASA-N 1 2 343.774 1.478 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000416437721 447603608 /nfs/dbraw/zinc/60/36/08/447603608.db2.gz IAUMGNOSINAUDW-SWHYSGLUSA-N 1 2 327.837 1.917 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000416437721 447603613 /nfs/dbraw/zinc/60/36/13/447603613.db2.gz IAUMGNOSINAUDW-SWHYSGLUSA-N 1 2 327.837 1.917 20 30 EDEDLO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000451192766 447702180 /nfs/dbraw/zinc/70/21/80/447702180.db2.gz IYPRNZCMUXBYKZ-KGLIPLIRSA-N 1 2 336.436 1.501 20 30 EDEDLO N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000451192766 447702185 /nfs/dbraw/zinc/70/21/85/447702185.db2.gz IYPRNZCMUXBYKZ-KGLIPLIRSA-N 1 2 336.436 1.501 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000459827384 447765197 /nfs/dbraw/zinc/76/51/97/447765197.db2.gz YFXWGNAQYNPGNJ-CQSZACIVSA-N 1 2 333.436 1.040 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnn(C(C)C)c3)CC2)c1C#N ZINC000471808926 447814427 /nfs/dbraw/zinc/81/44/27/447814427.db2.gz GQYCEOGMLNBXGU-UHFFFAOYSA-N 1 2 327.436 1.700 20 30 EDEDLO NC(=O)C[C@@H]1COCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000452090658 447814714 /nfs/dbraw/zinc/81/47/14/447814714.db2.gz UYNYQLFKILETLD-CYBMUJFWSA-N 1 2 342.317 1.513 20 30 EDEDLO NC(=O)C[C@@H]1COCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000452090658 447814717 /nfs/dbraw/zinc/81/47/17/447814717.db2.gz UYNYQLFKILETLD-CYBMUJFWSA-N 1 2 342.317 1.513 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430406045 447772991 /nfs/dbraw/zinc/77/29/91/447772991.db2.gz SZFWAUYQQFXBAH-GDBMZVCRSA-N 1 2 346.431 1.213 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430406045 447772993 /nfs/dbraw/zinc/77/29/93/447772993.db2.gz SZFWAUYQQFXBAH-GDBMZVCRSA-N 1 2 346.431 1.213 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000452043918 447808255 /nfs/dbraw/zinc/80/82/55/447808255.db2.gz CBBBSLHSHMPXSU-UHFFFAOYSA-N 1 2 348.447 1.176 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000452043918 447808257 /nfs/dbraw/zinc/80/82/57/447808257.db2.gz CBBBSLHSHMPXSU-UHFFFAOYSA-N 1 2 348.447 1.176 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(C)c2)[C@@H]1C(=O)OC ZINC000488153855 447842874 /nfs/dbraw/zinc/84/28/74/447842874.db2.gz STRQQDJEGSAEAB-CVEARBPZSA-N 1 2 330.384 1.793 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(C)c2)[C@@H]1C(=O)OC ZINC000488153855 447842876 /nfs/dbraw/zinc/84/28/76/447842876.db2.gz STRQQDJEGSAEAB-CVEARBPZSA-N 1 2 330.384 1.793 20 30 EDEDLO C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000497132836 447879506 /nfs/dbraw/zinc/87/95/06/447879506.db2.gz OPNRFCWVZCEYBP-SUMWQHHRSA-N 1 2 332.404 1.261 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc3c2CCCC(=O)N3)CC1 ZINC000491179361 447948056 /nfs/dbraw/zinc/94/80/56/447948056.db2.gz FKIFNOIPFCCOFR-UHFFFAOYSA-N 1 2 341.411 1.118 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496829131 447948881 /nfs/dbraw/zinc/94/88/81/447948881.db2.gz QSPMBAGOILEPCU-DYVFJYSZSA-N 1 2 338.452 1.594 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496829131 447948887 /nfs/dbraw/zinc/94/88/87/447948887.db2.gz QSPMBAGOILEPCU-DYVFJYSZSA-N 1 2 338.452 1.594 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@@](CCC(C)C)(C3CC3)C2=O)CC1 ZINC000491121393 447930153 /nfs/dbraw/zinc/93/01/53/447930153.db2.gz QQOASKUZPZDOEU-IBGZPJMESA-N 1 2 346.475 1.332 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)CCN2 ZINC000575970803 447939408 /nfs/dbraw/zinc/93/94/08/447939408.db2.gz BIVKJJWWUDWVIG-UHFFFAOYSA-N 1 2 343.431 1.734 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000491718742 448088673 /nfs/dbraw/zinc/08/86/73/448088673.db2.gz WBNFOCABZIGJMY-KBPBESRZSA-N 1 2 338.452 1.249 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000491718742 448088680 /nfs/dbraw/zinc/08/86/80/448088680.db2.gz WBNFOCABZIGJMY-KBPBESRZSA-N 1 2 338.452 1.249 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)Nc2cc[nH+]c(C)c2)n1 ZINC000491751301 448104460 /nfs/dbraw/zinc/10/44/60/448104460.db2.gz WQLYELXPCUOZJF-UHFFFAOYSA-N 1 2 327.388 1.322 20 30 EDEDLO C=C(C)C[N@@H+](CC(=O)N(C)Cc1cnn(C)c1)Cc1ccc(CO)o1 ZINC000556831081 448162196 /nfs/dbraw/zinc/16/21/96/448162196.db2.gz IXBMNYFENHNBDA-UHFFFAOYSA-N 1 2 346.431 1.542 20 30 EDEDLO C=C(C)C[N@H+](CC(=O)N(C)Cc1cnn(C)c1)Cc1ccc(CO)o1 ZINC000556831081 448162200 /nfs/dbraw/zinc/16/22/00/448162200.db2.gz IXBMNYFENHNBDA-UHFFFAOYSA-N 1 2 346.431 1.542 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](C)CCN2CCCC2=O)c(C#N)c1C ZINC000576806003 448142925 /nfs/dbraw/zinc/14/29/25/448142925.db2.gz FTEYGXKIDRLRAH-UHFFFAOYSA-N 1 2 334.445 1.729 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](C)CCN2CCCC2=O)c(C#N)c1C ZINC000576806003 448142933 /nfs/dbraw/zinc/14/29/33/448142933.db2.gz FTEYGXKIDRLRAH-UHFFFAOYSA-N 1 2 334.445 1.729 20 30 EDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)CC1(CC#N)CC1 ZINC000514654111 448178428 /nfs/dbraw/zinc/17/84/28/448178428.db2.gz RMEIMYLKZHWXKB-UHFFFAOYSA-N 1 2 329.466 1.053 20 30 EDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)CC1(CC#N)CC1 ZINC000514654111 448178433 /nfs/dbraw/zinc/17/84/33/448178433.db2.gz RMEIMYLKZHWXKB-UHFFFAOYSA-N 1 2 329.466 1.053 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNc1nc(NCCO)c2ccccc2[nH+]1 ZINC000559592049 448210564 /nfs/dbraw/zinc/21/05/64/448210564.db2.gz NKMFCDAJFFFNPJ-BBRMVZONSA-N 1 2 328.416 1.271 20 30 EDEDLO CO[C@@H](C)C(=O)Nc1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000563004944 448279080 /nfs/dbraw/zinc/27/90/80/448279080.db2.gz BEQYRADAYZNFEG-BBRMVZONSA-N 1 2 334.420 1.278 20 30 EDEDLO CO[C@@H](C)C(=O)Nc1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000563004944 448279083 /nfs/dbraw/zinc/27/90/83/448279083.db2.gz BEQYRADAYZNFEG-BBRMVZONSA-N 1 2 334.420 1.278 20 30 EDEDLO N#Cc1ccnc(NCC2([NH+]3CCOCC3)CCOCC2)c1Cl ZINC000591175411 448280214 /nfs/dbraw/zinc/28/02/14/448280214.db2.gz FVBZWQMESGCKOK-UHFFFAOYSA-N 1 2 336.823 1.900 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCNC(C)=O ZINC000577391444 448286027 /nfs/dbraw/zinc/28/60/27/448286027.db2.gz MWFHPWYMQAXUBP-CQSZACIVSA-N 1 2 346.431 1.398 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCNC(C)=O ZINC000577391444 448286031 /nfs/dbraw/zinc/28/60/31/448286031.db2.gz MWFHPWYMQAXUBP-CQSZACIVSA-N 1 2 346.431 1.398 20 30 EDEDLO Cc1nc(N)c(CNC(=O)CCCCOc2cccc(C#N)c2)c[nH+]1 ZINC000515682199 448343895 /nfs/dbraw/zinc/34/38/95/448343895.db2.gz KEEZZMOTDQVBMP-UHFFFAOYSA-N 1 2 339.399 2.104 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000591411775 448354820 /nfs/dbraw/zinc/35/48/20/448354820.db2.gz LWRKIXJXOKYSCW-HNNXBMFYSA-N 1 2 347.463 1.018 20 30 EDEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ncc(Br)cn1 ZINC000564401544 448328971 /nfs/dbraw/zinc/32/89/71/448328971.db2.gz KZEVPUUPPXBXOZ-VIFPVBQESA-N 1 2 338.209 1.452 20 30 EDEDLO CCC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCS(=O)(=O)C1 ZINC000578013860 448440685 /nfs/dbraw/zinc/44/06/85/448440685.db2.gz BFTGKEFIAYVTQX-AWEZNQCLSA-N 1 2 333.417 1.000 20 30 EDEDLO CCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCS(=O)(=O)C1 ZINC000578013860 448440689 /nfs/dbraw/zinc/44/06/89/448440689.db2.gz BFTGKEFIAYVTQX-AWEZNQCLSA-N 1 2 333.417 1.000 20 30 EDEDLO C[N@@H+]1CCN(C(=O)CC(C)(C)C#N)C[C@H]1CNC(=O)CC(C)(C)C#N ZINC000566365164 448454749 /nfs/dbraw/zinc/45/47/49/448454749.db2.gz HOHNHWSVLIWBEK-CQSZACIVSA-N 1 2 347.463 1.125 20 30 EDEDLO C[N@H+]1CCN(C(=O)CC(C)(C)C#N)C[C@H]1CNC(=O)CC(C)(C)C#N ZINC000566365164 448454751 /nfs/dbraw/zinc/45/47/51/448454751.db2.gz HOHNHWSVLIWBEK-CQSZACIVSA-N 1 2 347.463 1.125 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000583997526 448468160 /nfs/dbraw/zinc/46/81/60/448468160.db2.gz KJEGWEGBLGRZRJ-GOSISDBHSA-N 1 2 344.415 1.374 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2ccncc2n1 ZINC000591757551 448483530 /nfs/dbraw/zinc/48/35/30/448483530.db2.gz FIGVHJGXLVVLTO-UHFFFAOYSA-N 1 2 339.399 1.318 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc(C#N)c(N)n1 ZINC000566485366 448491032 /nfs/dbraw/zinc/49/10/32/448491032.db2.gz HLXKCUWLPCJTOX-ZFWWWQNUSA-N 1 2 343.410 1.318 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccc(C#N)c(N)n1 ZINC000566485366 448491035 /nfs/dbraw/zinc/49/10/35/448491035.db2.gz HLXKCUWLPCJTOX-ZFWWWQNUSA-N 1 2 343.410 1.318 20 30 EDEDLO COc1c(C)[nH+]c(C2CC2)nc1NCCCc1[nH]nc(N)c1C#N ZINC000584381139 448502329 /nfs/dbraw/zinc/50/23/29/448502329.db2.gz JTWMOFRGXHSAGF-UHFFFAOYSA-N 1 2 327.392 1.315 20 30 EDEDLO C[C@@H]1[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCOC1(C)C ZINC000528404099 448515192 /nfs/dbraw/zinc/51/51/92/448515192.db2.gz MDOJGBKYEVBTHI-AWEZNQCLSA-N 1 2 326.396 1.785 20 30 EDEDLO C[C@@H]1[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCOC1(C)C ZINC000528404099 448515198 /nfs/dbraw/zinc/51/51/98/448515198.db2.gz MDOJGBKYEVBTHI-AWEZNQCLSA-N 1 2 326.396 1.785 20 30 EDEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000573277097 448586158 /nfs/dbraw/zinc/58/61/58/448586158.db2.gz HSQDNSAHPZKGTB-QGZVFWFLSA-N 1 2 341.459 1.866 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C[C@@H]21 ZINC000573332364 448602160 /nfs/dbraw/zinc/60/21/60/448602160.db2.gz XRFWWMQUQBLTOH-IRXDYDNUSA-N 1 2 325.412 1.521 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)C[C@@H]21 ZINC000573332364 448602162 /nfs/dbraw/zinc/60/21/62/448602162.db2.gz XRFWWMQUQBLTOH-IRXDYDNUSA-N 1 2 325.412 1.521 20 30 EDEDLO COc1ccc(Cn2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cn2)cc1 ZINC000573497553 448642891 /nfs/dbraw/zinc/64/28/91/448642891.db2.gz YVTLURHLAQYSHN-SFHVURJKSA-N 1 2 341.415 1.514 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC3=CCCC3)CC2)cc1 ZINC000592058947 448654559 /nfs/dbraw/zinc/65/45/59/448654559.db2.gz RTAYCBNSRAGWDC-UHFFFAOYSA-N 1 2 331.441 1.975 20 30 EDEDLO CC[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@]2(CCOC2)O1 ZINC000567167291 448627603 /nfs/dbraw/zinc/62/76/03/448627603.db2.gz MGFSVGGYDJMKDU-RDJZCZTQSA-N 1 2 327.388 1.371 20 30 EDEDLO CC[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@]2(CCOC2)O1 ZINC000567167291 448627609 /nfs/dbraw/zinc/62/76/09/448627609.db2.gz MGFSVGGYDJMKDU-RDJZCZTQSA-N 1 2 327.388 1.371 20 30 EDEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ncncc2C#N)c2ccc(Cl)cc2)C1 ZINC000578762540 448629804 /nfs/dbraw/zinc/62/98/04/448629804.db2.gz UPUYQUNDIVBMPR-HZPDHXFCSA-N 1 2 343.818 1.907 20 30 EDEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ncncc2C#N)c2ccc(Cl)cc2)C1 ZINC000578762540 448629811 /nfs/dbraw/zinc/62/98/11/448629811.db2.gz UPUYQUNDIVBMPR-HZPDHXFCSA-N 1 2 343.818 1.907 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130040 448699267 /nfs/dbraw/zinc/69/92/67/448699267.db2.gz LNJJHCOWYQHYMP-YDHLFZDLSA-N 1 2 328.407 1.455 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130040 448699273 /nfs/dbraw/zinc/69/92/73/448699273.db2.gz LNJJHCOWYQHYMP-YDHLFZDLSA-N 1 2 328.407 1.455 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000592147468 448707098 /nfs/dbraw/zinc/70/70/98/448707098.db2.gz OUMHOZJHNLQACO-CQSZACIVSA-N 1 2 335.205 1.947 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000592147468 448707101 /nfs/dbraw/zinc/70/71/01/448707101.db2.gz OUMHOZJHNLQACO-CQSZACIVSA-N 1 2 335.205 1.947 20 30 EDEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000592149263 448710560 /nfs/dbraw/zinc/71/05/60/448710560.db2.gz LWSKTQOHSQDCIS-QGZVFWFLSA-N 1 2 330.388 1.302 20 30 EDEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000592149263 448710565 /nfs/dbraw/zinc/71/05/65/448710565.db2.gz LWSKTQOHSQDCIS-QGZVFWFLSA-N 1 2 330.388 1.302 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000573789658 448712620 /nfs/dbraw/zinc/71/26/20/448712620.db2.gz LGTILVANSHRCFP-SJORKVTESA-N 1 2 340.427 1.570 20 30 EDEDLO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592094666 448679477 /nfs/dbraw/zinc/67/94/77/448679477.db2.gz SGBJDWXOJGPEQE-GFCCVEGCSA-N 1 2 330.413 1.712 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000519667899 448814888 /nfs/dbraw/zinc/81/48/88/448814888.db2.gz MJPGABDAZPGQQJ-ZDUSSCGKSA-N 1 2 331.395 1.294 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000568164438 448825977 /nfs/dbraw/zinc/82/59/77/448825977.db2.gz UARNSCXKCMUZPU-RDJZCZTQSA-N 1 2 347.463 1.229 20 30 EDEDLO N#Cc1cnc2c(Cl)cccc2c1N1CC[NH+](CC(N)=O)CC1 ZINC000519762930 448838608 /nfs/dbraw/zinc/83/86/08/448838608.db2.gz FZSNACOFAOGJKZ-UHFFFAOYSA-N 1 2 329.791 1.367 20 30 EDEDLO CN(C)C[C@@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000574403534 448866954 /nfs/dbraw/zinc/86/69/54/448866954.db2.gz DKGWOPRAQHFGKL-MRXNPFEDSA-N 1 2 342.359 1.354 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000592522308 448875850 /nfs/dbraw/zinc/87/58/50/448875850.db2.gz LNNSSWGBKABYHV-OAHLLOKOSA-N 1 2 335.770 1.910 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000592522308 448875860 /nfs/dbraw/zinc/87/58/60/448875860.db2.gz LNNSSWGBKABYHV-OAHLLOKOSA-N 1 2 335.770 1.910 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1cc[nH]c(=O)c1Br ZINC000569106494 448962243 /nfs/dbraw/zinc/96/22/43/448962243.db2.gz KMLBIRGCCBKFAA-ZDUSSCGKSA-N 1 2 341.209 1.052 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000581610898 448981272 /nfs/dbraw/zinc/98/12/72/448981272.db2.gz GLJQSACKWBDDIK-INIZCTEOSA-N 1 2 342.359 1.354 20 30 EDEDLO CC(C)CN1C[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)CCN2C1=O ZINC000574893208 448983459 /nfs/dbraw/zinc/98/34/59/448983459.db2.gz HZUWMBDZMOELFG-GJZGRUSLSA-N 1 2 347.463 1.015 20 30 EDEDLO CC(C)CN1C[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)CCN2C1=O ZINC000574893208 448983461 /nfs/dbraw/zinc/98/34/61/448983461.db2.gz HZUWMBDZMOELFG-GJZGRUSLSA-N 1 2 347.463 1.015 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)CCC1 ZINC000568967850 448944783 /nfs/dbraw/zinc/94/47/83/448944783.db2.gz LDMDTQZSXZPPOH-IBGZPJMESA-N 1 2 339.395 1.659 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)CCC1 ZINC000568967850 448944785 /nfs/dbraw/zinc/94/47/85/448944785.db2.gz LDMDTQZSXZPPOH-IBGZPJMESA-N 1 2 339.395 1.659 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000582379154 449081113 /nfs/dbraw/zinc/08/11/13/449081113.db2.gz RHUCUCNXNWNKGS-UHFFFAOYSA-N 1 2 340.774 2.312 20 30 EDEDLO C=CC[N@H+](CC(=O)N(C)c1ccccc1C(=O)OC)[C@@H](C)COC ZINC000595644169 449095245 /nfs/dbraw/zinc/09/52/45/449095245.db2.gz AORQHFXSWFTVOS-AWEZNQCLSA-N 1 2 334.416 1.959 20 30 EDEDLO C=CC[N@@H+](CC(=O)N(C)c1ccccc1C(=O)OC)[C@@H](C)COC ZINC000595644169 449095249 /nfs/dbraw/zinc/09/52/49/449095249.db2.gz AORQHFXSWFTVOS-AWEZNQCLSA-N 1 2 334.416 1.959 20 30 EDEDLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000593067584 449120950 /nfs/dbraw/zinc/12/09/50/449120950.db2.gz WSLQHWFKNZCICG-CHWSQXEVSA-N 1 2 335.429 1.322 20 30 EDEDLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000593067584 449120955 /nfs/dbraw/zinc/12/09/55/449120955.db2.gz WSLQHWFKNZCICG-CHWSQXEVSA-N 1 2 335.429 1.322 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC(O)(CO)CC2)c(Br)c1 ZINC000595732362 449137011 /nfs/dbraw/zinc/13/70/11/449137011.db2.gz NLQASZBIMSJDRU-UHFFFAOYSA-N 1 2 325.206 1.640 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC(=O)N(C)CC1 ZINC000595780961 449162248 /nfs/dbraw/zinc/16/22/48/449162248.db2.gz DXSPHIUOFBYJFS-NSHDSACASA-N 1 2 334.807 1.703 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000595780961 449162250 /nfs/dbraw/zinc/16/22/50/449162250.db2.gz DXSPHIUOFBYJFS-NSHDSACASA-N 1 2 334.807 1.703 20 30 EDEDLO CN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@H]1CCC[C@H]1C#N ZINC000601819542 449167543 /nfs/dbraw/zinc/16/75/43/449167543.db2.gz QNDJKHCBYIMZPF-RDJZCZTQSA-N 1 2 328.416 1.678 20 30 EDEDLO Cn1nccc1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000593112027 449140827 /nfs/dbraw/zinc/14/08/27/449140827.db2.gz NCCOMBOGAYPRHJ-KRWDZBQOSA-N 1 2 339.399 1.694 20 30 EDEDLO Cn1nccc1[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000593112027 449140830 /nfs/dbraw/zinc/14/08/30/449140830.db2.gz NCCOMBOGAYPRHJ-KRWDZBQOSA-N 1 2 339.399 1.694 20 30 EDEDLO COCCOCCN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000593115570 449142765 /nfs/dbraw/zinc/14/27/65/449142765.db2.gz JXZVDHGNLUVMJQ-UHFFFAOYSA-N 1 2 333.432 1.218 20 30 EDEDLO CCCNC(=O)C[NH+]1CCC(Nc2nc(C#N)c(Cl)s2)CC1 ZINC000590572095 449197654 /nfs/dbraw/zinc/19/76/54/449197654.db2.gz LCNFLOBHRASUHP-UHFFFAOYSA-N 1 2 341.868 2.071 20 30 EDEDLO N#Cc1nc(Nc2cnn(CC[NH+]3CCOCC3)c2)sc1Cl ZINC000590576977 449198705 /nfs/dbraw/zinc/19/87/05/449198705.db2.gz VTPHVWVPMWLLQV-UHFFFAOYSA-N 1 2 338.824 1.940 20 30 EDEDLO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840248 449201329 /nfs/dbraw/zinc/20/13/29/449201329.db2.gz PXWOSJYVUWJFKA-CLCXKQKWSA-N 1 2 343.427 1.909 20 30 EDEDLO C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840248 449201332 /nfs/dbraw/zinc/20/13/32/449201332.db2.gz PXWOSJYVUWJFKA-CLCXKQKWSA-N 1 2 343.427 1.909 20 30 EDEDLO N#CCCN1CC[NH+](CC(=O)N[C@@H](c2ccccc2)C2CC2)CC1 ZINC000611175648 449202367 /nfs/dbraw/zinc/20/23/67/449202367.db2.gz CJSXUAXSCXEAEN-IBGZPJMESA-N 1 2 326.444 1.785 20 30 EDEDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000595847718 449203907 /nfs/dbraw/zinc/20/39/07/449203907.db2.gz CYARIVFOYHIMEG-OKILXGFUSA-N 1 2 336.413 1.215 20 30 EDEDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000595847718 449203913 /nfs/dbraw/zinc/20/39/13/449203913.db2.gz CYARIVFOYHIMEG-OKILXGFUSA-N 1 2 336.413 1.215 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC(CC#N)C1)CC2 ZINC000598032812 449205936 /nfs/dbraw/zinc/20/59/36/449205936.db2.gz HIJFHSDNTDZZRE-UHFFFAOYSA-N 1 2 329.400 1.434 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC(CC#N)C1)CC2 ZINC000598032812 449205938 /nfs/dbraw/zinc/20/59/38/449205938.db2.gz HIJFHSDNTDZZRE-UHFFFAOYSA-N 1 2 329.400 1.434 20 30 EDEDLO C[C@H]1CCCc2ncc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)n21 ZINC000593443233 449286713 /nfs/dbraw/zinc/28/67/13/449286713.db2.gz NCASPTYEGZYDEF-HNNXBMFYSA-N 1 2 345.447 1.468 20 30 EDEDLO C=CCCn1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nn1 ZINC000593981901 449311753 /nfs/dbraw/zinc/31/17/53/449311753.db2.gz XRPUUQAGWIQDQY-UHFFFAOYSA-N 1 2 331.380 1.796 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CC3(C2)CC(F)(F)C3)CC1 ZINC000611374612 449275203 /nfs/dbraw/zinc/27/52/03/449275203.db2.gz DQPRCSSXGOEIGB-CQSZACIVSA-N 1 2 340.418 1.410 20 30 EDEDLO Cc1ccc(C#N)nc1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000611398845 449280304 /nfs/dbraw/zinc/28/03/04/449280304.db2.gz JXBNESCQPZKDPI-UHFFFAOYSA-N 1 2 341.459 1.786 20 30 EDEDLO C[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(C#N)c1 ZINC000590928178 449347903 /nfs/dbraw/zinc/34/79/03/449347903.db2.gz SREJJGLNCOQACY-XYPHTWIQSA-N 1 2 328.416 1.782 20 30 EDEDLO C[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(C#N)c1 ZINC000590928178 449347907 /nfs/dbraw/zinc/34/79/07/449347907.db2.gz SREJJGLNCOQACY-XYPHTWIQSA-N 1 2 328.416 1.782 20 30 EDEDLO Cc1cc(C(=O)NC[C@H]2COCC[N@H+]2C)nn1-c1cccc(C#N)c1 ZINC000600421380 449365177 /nfs/dbraw/zinc/36/51/77/449365177.db2.gz NRKAYGQZKGUYMV-INIZCTEOSA-N 1 2 339.399 1.113 20 30 EDEDLO Cc1cc(C(=O)NC[C@H]2COCC[N@@H+]2C)nn1-c1cccc(C#N)c1 ZINC000600421380 449365181 /nfs/dbraw/zinc/36/51/81/449365181.db2.gz NRKAYGQZKGUYMV-INIZCTEOSA-N 1 2 339.399 1.113 20 30 EDEDLO COc1cncc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)c1 ZINC000596286466 449456867 /nfs/dbraw/zinc/45/68/67/449456867.db2.gz RDOZTSYDFHLMDG-UHFFFAOYSA-N 1 2 340.383 1.004 20 30 EDEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000602250673 449462566 /nfs/dbraw/zinc/46/25/66/449462566.db2.gz FGELGFJBTOLXGD-INIZCTEOSA-N 1 2 333.388 1.830 20 30 EDEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000602250673 449462572 /nfs/dbraw/zinc/46/25/72/449462572.db2.gz FGELGFJBTOLXGD-INIZCTEOSA-N 1 2 333.388 1.830 20 30 EDEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1COCC[N@H+]1CC ZINC000602250674 449462686 /nfs/dbraw/zinc/46/26/86/449462686.db2.gz FGELGFJBTOLXGD-MRXNPFEDSA-N 1 2 333.388 1.830 20 30 EDEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000602250674 449462693 /nfs/dbraw/zinc/46/26/93/449462693.db2.gz FGELGFJBTOLXGD-MRXNPFEDSA-N 1 2 333.388 1.830 20 30 EDEDLO CC(C)(C#N)c1ccc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)cc1 ZINC000614169667 449489193 /nfs/dbraw/zinc/48/91/93/449489193.db2.gz KBPHFZWDXOLTLT-UHFFFAOYSA-N 1 2 328.460 1.869 20 30 EDEDLO Cn1c2cc(CN(CCC#N)CC[NH+]3CCOCC3)ccc2oc1=O ZINC000602423733 449576109 /nfs/dbraw/zinc/57/61/09/449576109.db2.gz DZWYAYKCYKKWEL-UHFFFAOYSA-N 1 2 344.415 1.179 20 30 EDEDLO CC#CC[NH2+]Cc1cn(-c2ccnc(C(=O)OC(C)(C)C)c2)nn1 ZINC000594656643 449610647 /nfs/dbraw/zinc/61/06/47/449610647.db2.gz YAENZZIFKNIHLC-UHFFFAOYSA-N 1 2 327.388 1.731 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000598946811 449664504 /nfs/dbraw/zinc/66/45/04/449664504.db2.gz JHIJCIXBIDLOFK-CRAIPNDOSA-N 1 2 335.411 1.855 20 30 EDEDLO N#CC1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC2(CC2)C1 ZINC000601035788 449666974 /nfs/dbraw/zinc/66/69/74/449666974.db2.gz KIIOOBYLKWBSFO-UHFFFAOYSA-N 1 2 329.404 1.238 20 30 EDEDLO CC(C)n1ncnc1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000601118687 449700212 /nfs/dbraw/zinc/70/02/12/449700212.db2.gz PUYFROGWVIPVMY-MRXNPFEDSA-N 1 2 338.415 1.621 20 30 EDEDLO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000594801392 449713143 /nfs/dbraw/zinc/71/31/43/449713143.db2.gz MYNXQPLKKZHBAZ-LLVKDONJSA-N 1 2 343.399 1.988 20 30 EDEDLO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000594801392 449713151 /nfs/dbraw/zinc/71/31/51/449713151.db2.gz MYNXQPLKKZHBAZ-LLVKDONJSA-N 1 2 343.399 1.988 20 30 EDEDLO C=C[C@](C)(O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000612532742 449756713 /nfs/dbraw/zinc/75/67/13/449756713.db2.gz RCUVZUMTRMDWHS-KRWDZBQOSA-N 1 2 337.851 1.515 20 30 EDEDLO C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000614776765 449811840 /nfs/dbraw/zinc/81/18/40/449811840.db2.gz MTMQUBUKWCMZRJ-LBPRGKRZSA-N 1 2 344.444 1.404 20 30 EDEDLO C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000614776765 449811842 /nfs/dbraw/zinc/81/18/42/449811842.db2.gz MTMQUBUKWCMZRJ-LBPRGKRZSA-N 1 2 344.444 1.404 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000599253296 449833632 /nfs/dbraw/zinc/83/36/32/449833632.db2.gz HHUAAJGGJOAARX-QZTJIDSGSA-N 1 2 345.443 1.095 20 30 EDEDLO Cc1cn2ccc(NC(=O)C(=O)N(C[C@H](C)C#N)C3CC3)cc2[nH+]1 ZINC000595030526 449844723 /nfs/dbraw/zinc/84/47/23/449844723.db2.gz CDSLXASJGSYRPI-LLVKDONJSA-N 1 2 325.372 1.732 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)cc1 ZINC000595094604 449867156 /nfs/dbraw/zinc/86/71/56/449867156.db2.gz ZJEQFAAIERMHEF-UHFFFAOYSA-N 1 2 349.394 1.808 20 30 EDEDLO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH2+][C@H](C)CC#N ZINC000602863306 449873566 /nfs/dbraw/zinc/87/35/66/449873566.db2.gz MXIAZIWWKREQGQ-KGLIPLIRSA-N 1 2 330.432 1.926 20 30 EDEDLO CCOC(=O)C[C@@H](O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000599329109 449896271 /nfs/dbraw/zinc/89/62/71/449896271.db2.gz DVLUYJXHIBQXIH-IAGOWNOFSA-N 1 2 331.416 1.183 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602922637 449922303 /nfs/dbraw/zinc/92/23/03/449922303.db2.gz ADFFVSCTSAUKBO-MYZZLAAOSA-N 1 2 345.443 1.553 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602922637 449922313 /nfs/dbraw/zinc/92/23/13/449922313.db2.gz ADFFVSCTSAUKBO-MYZZLAAOSA-N 1 2 345.443 1.553 20 30 EDEDLO Cc1ccc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)cc1C#N ZINC000599365507 449922549 /nfs/dbraw/zinc/92/25/49/449922549.db2.gz DPAWUJKVRRHMQI-UHFFFAOYSA-N 1 2 347.484 1.562 20 30 EDEDLO COc1ccc(CCNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000602973583 449975135 /nfs/dbraw/zinc/97/51/35/449975135.db2.gz BXBHBPQHOUKPIU-JKSUJKDBSA-N 1 2 345.443 1.987 20 30 EDEDLO COc1ccc(CCNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000602973583 449975141 /nfs/dbraw/zinc/97/51/41/449975141.db2.gz BXBHBPQHOUKPIU-JKSUJKDBSA-N 1 2 345.443 1.987 20 30 EDEDLO C[N@H+](CC(=O)NCCCN1CCCCCC1=O)[C@H]1CCC[C@H]1C#N ZINC000602976357 449976892 /nfs/dbraw/zinc/97/68/92/449976892.db2.gz OLIMTKWZLOYPTC-HOTGVXAUSA-N 1 2 334.464 1.519 20 30 EDEDLO C[N@@H+](CC(=O)NCCCN1CCCCCC1=O)[C@H]1CCC[C@H]1C#N ZINC000602976357 449976893 /nfs/dbraw/zinc/97/68/93/449976893.db2.gz OLIMTKWZLOYPTC-HOTGVXAUSA-N 1 2 334.464 1.519 20 30 EDEDLO COCCOc1ccc(CNC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602977948 449976948 /nfs/dbraw/zinc/97/69/48/449976948.db2.gz JBLUAVHOGVUWNY-AEFFLSMTSA-N 1 2 345.443 1.952 20 30 EDEDLO COCCOc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602977948 449976950 /nfs/dbraw/zinc/97/69/50/449976950.db2.gz JBLUAVHOGVUWNY-AEFFLSMTSA-N 1 2 345.443 1.952 20 30 EDEDLO N#CC1(c2ccccn2)CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000601562178 450074692 /nfs/dbraw/zinc/07/46/92/450074692.db2.gz RVIPSGJDNZMWKD-UHFFFAOYSA-N 1 2 340.427 1.330 20 30 EDEDLO CS(=O)(=O)N1CC[NH+](CCNc2ccc(C#N)c(Cl)c2)CC1 ZINC000609560607 450051591 /nfs/dbraw/zinc/05/15/91/450051591.db2.gz VANNHGOOGWJJMW-UHFFFAOYSA-N 1 2 342.852 1.201 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C1(C#N)CC3(CC3)C1)C2 ZINC000601572458 450082681 /nfs/dbraw/zinc/08/26/81/450082681.db2.gz YWAVRZDOZPBZLO-ZDUSSCGKSA-N 1 2 328.416 1.241 20 30 EDEDLO CCCC(=O)NC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000609671819 450082799 /nfs/dbraw/zinc/08/27/99/450082799.db2.gz RWYUTFDTCIYKKJ-KRWDZBQOSA-N 1 2 328.416 1.465 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000595375337 450089560 /nfs/dbraw/zinc/08/95/60/450089560.db2.gz CFUGBOAWQWXAGG-QWFCFKBJSA-N 1 2 342.487 1.978 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599624124 450110614 /nfs/dbraw/zinc/11/06/14/450110614.db2.gz PTWVIXHAUUBVMG-NXHRZFHOSA-N 1 2 332.400 1.085 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599624124 450110618 /nfs/dbraw/zinc/11/06/18/450110618.db2.gz PTWVIXHAUUBVMG-NXHRZFHOSA-N 1 2 332.400 1.085 20 30 EDEDLO COC(=O)[C@@H](NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)C(C)C ZINC000599677907 450145757 /nfs/dbraw/zinc/14/57/57/450145757.db2.gz MMGCSNOMQKTBIU-SFHVURJKSA-N 1 2 343.427 1.425 20 30 EDEDLO COC(=O)[C@@H](NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)C(C)C ZINC000599677907 450145763 /nfs/dbraw/zinc/14/57/63/450145763.db2.gz MMGCSNOMQKTBIU-SFHVURJKSA-N 1 2 343.427 1.425 20 30 EDEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676522 450145979 /nfs/dbraw/zinc/14/59/79/450145979.db2.gz TXODBLKESONESY-UHFFFAOYSA-N 1 2 328.416 1.593 20 30 EDEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676522 450145984 /nfs/dbraw/zinc/14/59/84/450145984.db2.gz TXODBLKESONESY-UHFFFAOYSA-N 1 2 328.416 1.593 20 30 EDEDLO C=C[C@H](O)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000613405589 450166306 /nfs/dbraw/zinc/16/63/06/450166306.db2.gz RTWUCDNJGJEGOM-VNHYZAJKSA-N 1 2 328.334 1.902 20 30 EDEDLO C=C[C@H](O)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000613405589 450166311 /nfs/dbraw/zinc/16/63/11/450166311.db2.gz RTWUCDNJGJEGOM-VNHYZAJKSA-N 1 2 328.334 1.902 20 30 EDEDLO C[C@@H](CC#N)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601643793 450137071 /nfs/dbraw/zinc/13/70/71/450137071.db2.gz JVSZHMLWXWRMEH-AWEZNQCLSA-N 1 2 333.457 1.417 20 30 EDEDLO N#Cc1cccc(N2CC[NH+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)CC2)n1 ZINC000595435409 450141310 /nfs/dbraw/zinc/14/13/10/450141310.db2.gz PJYWKJKCKRJGSV-USXIJHARSA-N 1 2 339.443 1.523 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNc1cc(C#N)c(Br)cn1 ZINC000603287348 450212075 /nfs/dbraw/zinc/21/20/75/450212075.db2.gz GHAPXBXVGSHNDA-JTQLQIEISA-N 1 2 325.210 1.848 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNc1cc(C#N)c(Br)cn1 ZINC000603287348 450212078 /nfs/dbraw/zinc/21/20/78/450212078.db2.gz GHAPXBXVGSHNDA-JTQLQIEISA-N 1 2 325.210 1.848 20 30 EDEDLO CN(CC[NH+]1CCOCC1)c1cc(C#N)c(Br)cn1 ZINC000603288831 450213425 /nfs/dbraw/zinc/21/34/25/450213425.db2.gz ZYJYTOZJOHPOEW-UHFFFAOYSA-N 1 2 325.210 1.484 20 30 EDEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000615778048 450233888 /nfs/dbraw/zinc/23/38/88/450233888.db2.gz ALQRTJJMZGFHTK-CYBMUJFWSA-N 1 2 340.427 1.954 20 30 EDEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000615778048 450233894 /nfs/dbraw/zinc/23/38/94/450233894.db2.gz ALQRTJJMZGFHTK-CYBMUJFWSA-N 1 2 340.427 1.954 20 30 EDEDLO COc1cc(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)c(F)cc1C#N ZINC000599818148 450234022 /nfs/dbraw/zinc/23/40/22/450234022.db2.gz VCOOJPJIUFCAHU-LLVKDONJSA-N 1 2 336.367 1.548 20 30 EDEDLO COc1cc(NC(=O)NCC[N@H+]2CCOC[C@H]2C)c(F)cc1C#N ZINC000599818148 450234026 /nfs/dbraw/zinc/23/40/26/450234026.db2.gz VCOOJPJIUFCAHU-LLVKDONJSA-N 1 2 336.367 1.548 20 30 EDEDLO CN([C@H]1CCC[C@H]1C#N)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000603396125 450279893 /nfs/dbraw/zinc/27/98/93/450279893.db2.gz KHDSSPNEIVILPB-BBRMVZONSA-N 1 2 333.457 1.987 20 30 EDEDLO CN([C@H]1CCC[C@H]1C#N)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000603396125 450279896 /nfs/dbraw/zinc/27/98/96/450279896.db2.gz KHDSSPNEIVILPB-BBRMVZONSA-N 1 2 333.457 1.987 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c(Br)c1 ZINC000618900681 450330985 /nfs/dbraw/zinc/33/09/85/450330985.db2.gz UJANXGBADKIHPF-JSGCOSHPSA-N 1 2 325.206 1.496 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c(Br)c1 ZINC000618900681 450330987 /nfs/dbraw/zinc/33/09/87/450330987.db2.gz UJANXGBADKIHPF-JSGCOSHPSA-N 1 2 325.206 1.496 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618732921 450288530 /nfs/dbraw/zinc/28/85/30/450288530.db2.gz ZFMQXWNTHCWHQW-MRXNPFEDSA-N 1 2 328.416 1.118 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618732921 450288535 /nfs/dbraw/zinc/28/85/35/450288535.db2.gz ZFMQXWNTHCWHQW-MRXNPFEDSA-N 1 2 328.416 1.118 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000619709334 450314136 /nfs/dbraw/zinc/31/41/36/450314136.db2.gz GQFLJTUWUHWKOG-KGLIPLIRSA-N 1 2 325.438 1.246 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619944576 450381252 /nfs/dbraw/zinc/38/12/52/450381252.db2.gz UKXDQUIEQRCIOU-XLIONFOSSA-N 1 2 346.471 1.968 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619944576 450381258 /nfs/dbraw/zinc/38/12/58/450381258.db2.gz UKXDQUIEQRCIOU-XLIONFOSSA-N 1 2 346.471 1.968 20 30 EDEDLO C=C(C)C[C@H]1NC(=O)N(Cc2ccc(N3CCOCC3)[nH+]c2)C1=O ZINC000630964010 451510890 /nfs/dbraw/zinc/51/08/90/451510890.db2.gz CTTYRPASICJMTB-CQSZACIVSA-N 1 2 330.388 1.305 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cc(Cl)ccc2OC)nn1 ZINC000640769452 451569691 /nfs/dbraw/zinc/56/96/91/451569691.db2.gz QWARHZLAEHJQRG-UHFFFAOYSA-N 1 2 347.806 1.692 20 30 EDEDLO C=CCN(CC=C)C(=O)Cn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000640791721 451584037 /nfs/dbraw/zinc/58/40/37/451584037.db2.gz JMGUTLRPCNSOFH-UHFFFAOYSA-N 1 2 333.436 1.090 20 30 EDEDLO C=CCn1c(C)cc(C(=O)Cn2cc([C@H]3COCC[NH2+]3)nn2)c1C ZINC000640800293 451594446 /nfs/dbraw/zinc/59/44/46/451594446.db2.gz PJEQWNIWUNNFQV-MRXNPFEDSA-N 1 2 329.404 1.426 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cc(Cl)ccc2F)nn1 ZINC000640848949 451635627 /nfs/dbraw/zinc/63/56/27/451635627.db2.gz WVLBJXQGGFTGJY-UHFFFAOYSA-N 1 2 335.770 1.822 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](C)Cc2ccccc2C)nn1 ZINC000640983366 451721172 /nfs/dbraw/zinc/72/11/72/451721172.db2.gz PGJSCABESCJQOP-MRXNPFEDSA-N 1 2 339.443 1.447 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000649183218 451890823 /nfs/dbraw/zinc/89/08/23/451890823.db2.gz OJOMZTWZGPDSAT-KRWDZBQOSA-N 1 2 338.411 1.323 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000637680932 452017414 /nfs/dbraw/zinc/01/74/14/452017414.db2.gz BGZCFRLAFWOZQO-HNNXBMFYSA-N 1 2 348.472 1.208 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000645156189 452182057 /nfs/dbraw/zinc/18/20/57/452182057.db2.gz QDPWWHSNUXTVBO-INIZCTEOSA-N 1 2 330.432 1.645 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H](C)C(=O)NCCc2ccccc2)nn1 ZINC000657483527 452275765 /nfs/dbraw/zinc/27/57/65/452275765.db2.gz LGDSQPVYHNLJAH-HNNXBMFYSA-N 1 2 327.432 1.691 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(OC)c2Cl)CC1 ZINC000659809933 452697825 /nfs/dbraw/zinc/69/78/25/452697825.db2.gz JPKHOUACAKCPRV-UHFFFAOYSA-N 1 2 337.851 1.768 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000658532363 453087689 /nfs/dbraw/zinc/08/76/89/453087689.db2.gz VDVIREFHLBZPLV-CVEARBPZSA-N 1 2 330.432 1.861 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000665437627 453693268 /nfs/dbraw/zinc/69/32/68/453693268.db2.gz GNKZMGZVWDZOCP-MRXNPFEDSA-N 1 2 335.473 1.863 20 30 EDEDLO C=CC[N@@H+](CCS(=O)(=O)c1cccc(OC)c1)[C@@H](C)COC ZINC000661243887 453772848 /nfs/dbraw/zinc/77/28/48/453772848.db2.gz NUKXHDANHYNNHR-AWEZNQCLSA-N 1 2 327.446 1.992 20 30 EDEDLO C=CC[N@H+](CCS(=O)(=O)c1cccc(OC)c1)[C@@H](C)COC ZINC000661243887 453772849 /nfs/dbraw/zinc/77/28/49/453772849.db2.gz NUKXHDANHYNNHR-AWEZNQCLSA-N 1 2 327.446 1.992 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)nn1 ZINC000668188602 487135735 /nfs/dbraw/zinc/13/57/35/487135735.db2.gz JFWBVGXNJOKOKU-UHFFFAOYSA-N 1 2 327.436 1.843 20 30 EDEDLO C=CCOCCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000668429840 485740528 /nfs/dbraw/zinc/74/05/28/485740528.db2.gz RZNMTIGVRRFGIA-UHFFFAOYSA-N 1 2 346.431 1.007 20 30 EDEDLO C=CCCOCC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000673827591 485815395 /nfs/dbraw/zinc/81/53/95/485815395.db2.gz FQCKGBSJQILXSK-UHFFFAOYSA-N 1 2 348.443 1.941 20 30 EDEDLO CO[C@@H]1C[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H]1OC ZINC000488099553 486564266 /nfs/dbraw/zinc/56/42/66/486564266.db2.gz XMKQOZPQKYNFNX-IAOVAPTHSA-N 1 2 349.406 1.806 20 30 EDEDLO N#CCCN(CC1CC1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000132612503 534635773 /nfs/dbraw/zinc/63/57/73/534635773.db2.gz PRPTWIGGUUIULP-UHFFFAOYSA-N 1 2 337.383 1.963 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000175962308 534775540 /nfs/dbraw/zinc/77/55/40/534775540.db2.gz WRMZEXIMUGVIMK-UHFFFAOYSA-N 1 2 341.346 1.649 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155314108 526599721 /nfs/dbraw/zinc/59/97/21/526599721.db2.gz ONTFCPYNGKFZKP-SECBINFHSA-N 1 2 347.341 1.271 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155314108 526599725 /nfs/dbraw/zinc/59/97/25/526599725.db2.gz ONTFCPYNGKFZKP-SECBINFHSA-N 1 2 347.341 1.271 20 30 EDEDLO C=C(C)COCCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000134984237 526642859 /nfs/dbraw/zinc/64/28/59/526642859.db2.gz APRBUKFTLNGOKI-UHFFFAOYSA-N 1 2 334.420 1.310 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000178140866 526932723 /nfs/dbraw/zinc/93/27/23/526932723.db2.gz BEZSVYJXOZINHB-UHFFFAOYSA-N 1 2 332.425 1.300 20 30 EDEDLO C#CCOc1cccc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000108517178 527123769 /nfs/dbraw/zinc/12/37/69/527123769.db2.gz NAWVMMIEXVBLPS-HUUCEWRRSA-N 1 2 331.416 1.929 20 30 EDEDLO CCOC(=O)[C@@H](C)[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000249274587 535425124 /nfs/dbraw/zinc/42/51/24/535425124.db2.gz JSVFAGFEPQTOOZ-CZUORRHYSA-N 1 2 332.400 1.714 20 30 EDEDLO CCOC(=O)[C@@H](C)[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000249274587 535425127 /nfs/dbraw/zinc/42/51/27/535425127.db2.gz JSVFAGFEPQTOOZ-CZUORRHYSA-N 1 2 332.400 1.714 20 30 EDEDLO CCN1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332266564 535725539 /nfs/dbraw/zinc/72/55/39/535725539.db2.gz FVBUIDLIKGRURO-OAHLLOKOSA-N 1 2 345.428 1.349 20 30 EDEDLO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1nc(C#N)cs1 ZINC000352808673 536377209 /nfs/dbraw/zinc/37/72/09/536377209.db2.gz CMFJPHUNZBEKPP-HNNXBMFYSA-N 1 2 339.424 1.943 20 30 EDEDLO C=CCNC(=O)NC(=O)COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000741149974 579399574 /nfs/dbraw/zinc/39/95/74/579399574.db2.gz XLMWBSWOWHOXGB-OAHLLOKOSA-N 1 2 333.388 1.234 20 30 EDEDLO C=CCNC(=O)NC(=O)COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000741149974 579399575 /nfs/dbraw/zinc/39/95/75/579399575.db2.gz XLMWBSWOWHOXGB-OAHLLOKOSA-N 1 2 333.388 1.234 20 30 EDEDLO CC[N@H+](CC(=O)NC)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000741787748 579428516 /nfs/dbraw/zinc/42/85/16/579428516.db2.gz RYXDZIKIBWIRJI-ZDUSSCGKSA-N 1 2 337.383 1.292 20 30 EDEDLO CC[N@@H+](CC(=O)NC)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000741787748 579428517 /nfs/dbraw/zinc/42/85/17/579428517.db2.gz RYXDZIKIBWIRJI-ZDUSSCGKSA-N 1 2 337.383 1.292 20 30 EDEDLO Cc1cccn2cc(COC(=O)CNC(=O)c3ccc(C#N)cc3)[nH+]c12 ZINC000728341046 578546475 /nfs/dbraw/zinc/54/64/75/578546475.db2.gz BIYNGLUOISRAPR-UHFFFAOYSA-N 1 2 348.362 1.988 20 30 EDEDLO Cc1ccc2[nH+]c(CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cn2c1 ZINC000732699999 578724695 /nfs/dbraw/zinc/72/46/95/578724695.db2.gz DCZXUGDMOZLZDN-MRXNPFEDSA-N 1 2 338.415 1.525 20 30 EDEDLO CC(C)C(C)N=Nc1ncccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000734750664 578835450 /nfs/dbraw/zinc/83/54/50/578835450.db2.gz CGAIMPORWDEKLZ-UHFFFAOYSA-N 1 2 339.465 1.462 20 30 EDEDLO CC[N@@H+](CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)CC(=O)NC ZINC000735867896 578933968 /nfs/dbraw/zinc/93/39/68/578933968.db2.gz LVAOWVSBBGFZIT-GZTJUZNOSA-N 1 2 329.444 1.935 20 30 EDEDLO CC[N@H+](CC(=O)/C=C1/N(C)c2ccccc2C1(C)C)CC(=O)NC ZINC000735867896 578933969 /nfs/dbraw/zinc/93/39/69/578933969.db2.gz LVAOWVSBBGFZIT-GZTJUZNOSA-N 1 2 329.444 1.935 20 30 EDEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NCc2cccc(C#N)c2)cs1 ZINC000746095047 579571713 /nfs/dbraw/zinc/57/17/13/579571713.db2.gz DQFWELYKLGPDLF-UHFFFAOYSA-N 1 2 343.412 1.681 20 30 EDEDLO Cc1cc(C(N)=[NH+]OCC(=O)NCc2cccc(C#N)c2)ccc1F ZINC000746095459 579571805 /nfs/dbraw/zinc/57/18/05/579571805.db2.gz PRRXLCVGKJBWJW-UHFFFAOYSA-N 1 2 340.358 1.959 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc3c2CCCC3)CC1 ZINC000748053961 579667744 /nfs/dbraw/zinc/66/77/44/579667744.db2.gz OFNPPICCBMGPCR-UHFFFAOYSA-N 1 2 332.469 1.895 20 30 EDEDLO N#Cc1ccc(CNC(=O)COC(=O)CCc2ccc(N)[nH+]c2)cc1 ZINC000751460463 579808420 /nfs/dbraw/zinc/80/84/20/579808420.db2.gz KFXJVPOCJGENQY-UHFFFAOYSA-N 1 2 338.367 1.328 20 30 EDEDLO N#Cc1c(NCc2cn3ccccc3[nH+]2)cccc1S(N)(=O)=O ZINC000754960659 579916910 /nfs/dbraw/zinc/91/69/10/579916910.db2.gz FWUYXXCIWKTTLM-UHFFFAOYSA-N 1 2 327.369 1.465 20 30 EDEDLO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758218596 579977153 /nfs/dbraw/zinc/97/71/53/579977153.db2.gz SXMBSJYTFKBQDM-AWEZNQCLSA-N 1 2 330.432 1.550 20 30 EDEDLO Cc1ccn(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c(=O)c1C#N ZINC000758248834 579978370 /nfs/dbraw/zinc/97/83/70/579978370.db2.gz MQEWLCWFNQVAKF-HNNXBMFYSA-N 1 2 331.416 1.503 20 30 EDEDLO CN(C)c1ccc2c(c1)NC(=O)C2=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761834969 580062441 /nfs/dbraw/zinc/06/24/41/580062441.db2.gz IZAHEKFMOZIYMR-UHFFFAOYSA-N 1 2 348.370 1.497 20 30 EDEDLO COC(=O)[C@@H](C)n1cccc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761835202 580062456 /nfs/dbraw/zinc/06/24/56/580062456.db2.gz LGSGQJZBKHTSNS-GFCCVEGCSA-N 1 2 339.359 1.644 20 30 EDEDLO Cc1ncc(CO)c(/C=[NH+]/CC2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000762435696 580074304 /nfs/dbraw/zinc/07/43/04/580074304.db2.gz HSFKSENBDLCNPR-CNHKJKLMSA-N 1 2 335.404 1.874 20 30 EDEDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NN=C2CC[N@@H+]3CCC[C@@H]23)cc1 ZINC000765573254 580145707 /nfs/dbraw/zinc/14/57/07/580145707.db2.gz XXWTZBZCJXGRII-AWEZNQCLSA-N 1 2 338.389 1.238 20 30 EDEDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NN=C2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765573254 580145708 /nfs/dbraw/zinc/14/57/08/580145708.db2.gz XXWTZBZCJXGRII-AWEZNQCLSA-N 1 2 338.389 1.238 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000771148616 580281015 /nfs/dbraw/zinc/28/10/15/580281015.db2.gz WJNWHYGUEYTDTO-HSZRJFAPSA-N 1 2 328.441 1.607 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc2c(cc1O)OCO2 ZINC000771932473 580298900 /nfs/dbraw/zinc/29/89/00/580298900.db2.gz WDIMELHSKDGIJU-UHFFFAOYSA-N 1 2 333.388 1.169 20 30 EDEDLO C#C[C@@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000773614324 580342613 /nfs/dbraw/zinc/34/26/13/580342613.db2.gz QOXVZIHQAIAENP-OAHLLOKOSA-N 1 2 334.464 1.032 20 30 EDEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)[C@H]1CCCO1 ZINC000773792322 580346305 /nfs/dbraw/zinc/34/63/05/580346305.db2.gz UDJOUQGYBBWXDM-CZUORRHYSA-N 1 2 340.383 1.117 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000775631979 580395762 /nfs/dbraw/zinc/39/57/62/580395762.db2.gz LIJGWOARXKPPRP-QHCPKHFHSA-N 1 2 333.501 1.984 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000779158373 580480434 /nfs/dbraw/zinc/48/04/34/580480434.db2.gz PLNFFPPFTDGNHU-GFCCVEGCSA-N 1 2 342.848 1.476 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000779158373 580480433 /nfs/dbraw/zinc/48/04/33/580480433.db2.gz PLNFFPPFTDGNHU-GFCCVEGCSA-N 1 2 342.848 1.476 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000779881414 580500823 /nfs/dbraw/zinc/50/08/23/580500823.db2.gz JEXBRCPTYAJDCE-UHFFFAOYSA-N 1 2 338.415 1.635 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000779881414 580500824 /nfs/dbraw/zinc/50/08/24/580500824.db2.gz JEXBRCPTYAJDCE-UHFFFAOYSA-N 1 2 338.415 1.635 20 30 EDEDLO C#CCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000785599334 580648097 /nfs/dbraw/zinc/64/80/97/580648097.db2.gz NBADRZZHMUNALT-OAHLLOKOSA-N 1 2 342.374 1.294 20 30 EDEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N[C@H]1CCOC1 ZINC000788456724 580721658 /nfs/dbraw/zinc/72/16/58/580721658.db2.gz NRTUHXVSTYQYCJ-LBPRGKRZSA-N 1 2 335.367 1.673 20 30 EDEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000788472424 580722237 /nfs/dbraw/zinc/72/22/37/580722237.db2.gz CZJULMCHRDASOF-KRWDZBQOSA-N 1 2 339.399 1.665 20 30 EDEDLO Cc1ccc2[nH+]c(CN=Nc3ccccc3S(N)(=O)=O)cn2c1 ZINC000789054053 580735748 /nfs/dbraw/zinc/73/57/48/580735748.db2.gz DFUGINVSSKEPCO-UHFFFAOYSA-N 1 2 329.385 1.736 20 30 EDEDLO COc1ccc(CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000789122679 580737077 /nfs/dbraw/zinc/73/70/77/580737077.db2.gz HLEPMUIEFXKXCK-CQSZACIVSA-N 1 2 346.431 1.429 20 30 EDEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2nc3[nH][nH]cc-3c(=O)n2)cn1 ZINC000790161218 580763658 /nfs/dbraw/zinc/76/36/58/580763658.db2.gz CSTDWIXQKXECTO-UHFFFAOYSA-N 1 2 326.364 1.118 20 30 EDEDLO N#Cc1cccn(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1=O ZINC000790466139 580771065 /nfs/dbraw/zinc/77/10/65/580771065.db2.gz RNTIXPRKMMLMLD-UHFFFAOYSA-N 1 2 328.347 1.755 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc[nH+]c(N)c1 ZINC000791626615 580796864 /nfs/dbraw/zinc/79/68/64/580796864.db2.gz IQCQSFXZNANYKA-UHFFFAOYSA-N 1 2 326.356 1.929 20 30 EDEDLO N#CC1(NC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)CCC1 ZINC000792387888 580818910 /nfs/dbraw/zinc/81/89/10/580818910.db2.gz IXYLJKOIZURIFP-UHFFFAOYSA-N 1 2 332.379 1.626 20 30 EDEDLO C[C@H]1CCN(Cn2nc(CC#N)n(C)c2=S)C[C@H]1n1cc[nH+]c1 ZINC000794636191 580901053 /nfs/dbraw/zinc/90/10/53/580901053.db2.gz ZMDFPSRWSNZSHS-QWHCGFSZSA-N 1 2 331.449 1.754 20 30 EDEDLO CO[C@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1 ZINC000795713238 580935094 /nfs/dbraw/zinc/93/50/94/580935094.db2.gz GUYMGYSUTKWLMX-HNNXBMFYSA-N 1 2 347.390 1.745 20 30 EDEDLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)n2cnc(C#N)n2)n1 ZINC000798925589 581012025 /nfs/dbraw/zinc/01/20/25/581012025.db2.gz BNKAXQCLPDOGLW-SNVBAGLBSA-N 1 2 333.421 1.648 20 30 EDEDLO C#C[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000799803417 581037019 /nfs/dbraw/zinc/03/70/19/581037019.db2.gz JWORMJGHYLLOJD-CVEARBPZSA-N 1 2 345.424 1.391 20 30 EDEDLO C[C@@H]1C[N@H+](CCOC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCO1 ZINC000800196317 581047261 /nfs/dbraw/zinc/04/72/61/581047261.db2.gz DOTDGOIQBGSQCT-DYVFJYSZSA-N 1 2 340.420 1.512 20 30 EDEDLO C[C@@H]1C[N@@H+](CCOC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCO1 ZINC000800196317 581047262 /nfs/dbraw/zinc/04/72/62/581047262.db2.gz DOTDGOIQBGSQCT-DYVFJYSZSA-N 1 2 340.420 1.512 20 30 EDEDLO COc1ccccc1NC(=O)CN1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801934543 581088493 /nfs/dbraw/zinc/08/84/93/581088493.db2.gz OQYVXZMQEZJIOE-HNNXBMFYSA-N 1 2 346.431 1.180 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000801933017 581088521 /nfs/dbraw/zinc/08/85/21/581088521.db2.gz FWVVUGPFMKSFCE-CYBMUJFWSA-N 1 2 332.360 1.281 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)[C@@H](C)Cc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893571581 590973031 /nfs/dbraw/zinc/97/30/31/590973031.db2.gz BVODJSSUHDYNEQ-AXHNFQJDSA-N 1 2 344.411 1.916 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)[C@@H](C)Cc2ccc(C#N)cc2)C[N@H+]1C ZINC000893571581 590973035 /nfs/dbraw/zinc/97/30/35/590973035.db2.gz BVODJSSUHDYNEQ-AXHNFQJDSA-N 1 2 344.411 1.916 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000891605764 591146445 /nfs/dbraw/zinc/14/64/45/591146445.db2.gz HTHIPLLCUJVCPR-GFCCVEGCSA-N 1 2 337.782 1.631 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000891605764 591146449 /nfs/dbraw/zinc/14/64/49/591146449.db2.gz HTHIPLLCUJVCPR-GFCCVEGCSA-N 1 2 337.782 1.631 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000891606908 591147586 /nfs/dbraw/zinc/14/75/86/591147586.db2.gz QKUDQUIYJDJNMS-HNNXBMFYSA-N 1 2 329.400 1.238 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OCC)cc2)C1 ZINC000891606908 591147587 /nfs/dbraw/zinc/14/75/87/591147587.db2.gz QKUDQUIYJDJNMS-HNNXBMFYSA-N 1 2 329.400 1.238 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000891606523 591147764 /nfs/dbraw/zinc/14/77/64/591147764.db2.gz OMEYRFCUQKHOCN-KRWDZBQOSA-N 1 2 327.428 1.962 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000891606523 591147767 /nfs/dbraw/zinc/14/77/67/591147767.db2.gz OMEYRFCUQKHOCN-KRWDZBQOSA-N 1 2 327.428 1.962 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3cnccc32)C1 ZINC000891608576 591148737 /nfs/dbraw/zinc/14/87/37/591148737.db2.gz ZUWVEQOAIJCDAD-OAHLLOKOSA-N 1 2 336.395 1.387 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3cnccc32)C1 ZINC000891608576 591148740 /nfs/dbraw/zinc/14/87/40/591148740.db2.gz ZUWVEQOAIJCDAD-OAHLLOKOSA-N 1 2 336.395 1.387 20 30 EDEDLO Cn1ncc(I)c1C[NH2+]CC1(C#N)CCC1 ZINC000895026153 591533292 /nfs/dbraw/zinc/53/32/92/591533292.db2.gz NNBUTPJKOQYIQK-UHFFFAOYSA-N 1 2 330.173 1.808 20 30 EDEDLO COC(=O)c1cnc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC000895133419 591608270 /nfs/dbraw/zinc/60/82/70/591608270.db2.gz IXFSTCYEQVJYJC-ZDUSSCGKSA-N 1 2 331.397 1.967 20 30 EDEDLO COC(=O)c1cnc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC000895133419 591608272 /nfs/dbraw/zinc/60/82/72/591608272.db2.gz IXFSTCYEQVJYJC-ZDUSSCGKSA-N 1 2 331.397 1.967 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@@H](c2ccc(C)cc2)C1=O ZINC000902317443 591976620 /nfs/dbraw/zinc/97/66/20/591976620.db2.gz KLPGGGDKMWOGEB-KRWDZBQOSA-N 1 2 328.412 1.767 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@@H](c2ccc(C)cc2)C1=O ZINC000902317443 591976623 /nfs/dbraw/zinc/97/66/23/591976623.db2.gz KLPGGGDKMWOGEB-KRWDZBQOSA-N 1 2 328.412 1.767 20 30 EDEDLO CC(C)[C@H]1N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C(=O)[C@@]12CCCO2 ZINC000902599612 592022589 /nfs/dbraw/zinc/02/25/89/592022589.db2.gz HQXJVHAARAXLNX-VQIMIIECSA-N 1 2 348.443 1.698 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900690755 592095705 /nfs/dbraw/zinc/09/57/05/592095705.db2.gz QTCQHHIAPMSXLQ-UHFFFAOYSA-N 1 2 325.727 1.778 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000906683266 592264609 /nfs/dbraw/zinc/26/46/09/592264609.db2.gz KLVSSKRGKYCHBK-MRXNPFEDSA-N 1 2 328.460 1.470 20 30 EDEDLO Cc1nc(Br)c(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)[nH]1 ZINC000901206332 592286810 /nfs/dbraw/zinc/28/68/10/592286810.db2.gz KBYGJAXJZPSDEY-DTORHVGOSA-N 1 2 325.214 1.675 20 30 EDEDLO O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908402267 592481175 /nfs/dbraw/zinc/48/11/75/592481175.db2.gz CPRNGGIAIRNSIQ-OAHLLOKOSA-N 1 2 343.387 1.105 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3[C@@H]4C(=O)CC[C@H]34)CC2)cc1 ZINC000905554138 592564726 /nfs/dbraw/zinc/56/47/26/592564726.db2.gz LAYHYTSORVFNPJ-YTQUADARSA-N 1 2 337.423 1.818 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3[C@@H]4C(=O)CC[C@H]34)CC2)cc1 ZINC000905554138 592564728 /nfs/dbraw/zinc/56/47/28/592564728.db2.gz LAYHYTSORVFNPJ-YTQUADARSA-N 1 2 337.423 1.818 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc2c1OC(C)(C)C[C@H]2O ZINC000905602266 592575100 /nfs/dbraw/zinc/57/51/00/592575100.db2.gz CXTGDUSRSPNWCH-XJKSGUPXSA-N 1 2 333.432 1.899 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc2c1OC(C)(C)C[C@H]2O ZINC000905602266 592575102 /nfs/dbraw/zinc/57/51/02/592575102.db2.gz CXTGDUSRSPNWCH-XJKSGUPXSA-N 1 2 333.432 1.899 20 30 EDEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CCN(C)[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000907566348 592712677 /nfs/dbraw/zinc/71/26/77/592712677.db2.gz YAKOTXYHQKVGHK-XITLMJRVSA-N 1 2 338.411 1.972 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)c2ccc(C)[nH+]c2NC)n1 ZINC000907838361 592812024 /nfs/dbraw/zinc/81/20/24/592812024.db2.gz NRXBDBYPEZMKMY-UHFFFAOYSA-N 1 2 341.415 1.550 20 30 EDEDLO N#CC1(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000910783125 592891487 /nfs/dbraw/zinc/89/14/87/592891487.db2.gz CHNONZYOFGSIFI-UHFFFAOYSA-N 1 2 325.412 1.794 20 30 EDEDLO N#CC1(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000910783125 592891488 /nfs/dbraw/zinc/89/14/88/592891488.db2.gz CHNONZYOFGSIFI-UHFFFAOYSA-N 1 2 325.412 1.794 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)CC1 ZINC000911920911 593033462 /nfs/dbraw/zinc/03/34/62/593033462.db2.gz KPDOAFJEKKKODP-TVPLGVNVSA-N 1 2 349.475 1.514 20 30 EDEDLO CN1CC[NH+](CCCS(=O)(=O)Oc2cccc(F)c2C#N)CC1 ZINC000867011031 593297925 /nfs/dbraw/zinc/29/79/25/593297925.db2.gz FBEMFDZTGKBELY-UHFFFAOYSA-N 1 2 341.408 1.043 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ncoc2-c2ccc(OC)cc2)CC1 ZINC000809149090 593320614 /nfs/dbraw/zinc/32/06/14/593320614.db2.gz WWGPNGJVXPXDFJ-UHFFFAOYSA-N 1 2 325.368 1.741 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C)c(OC)cc2Cl)CC1 ZINC000809199714 593324151 /nfs/dbraw/zinc/32/41/51/593324151.db2.gz UZRJLBDLAVNRIH-UHFFFAOYSA-N 1 2 335.835 1.846 20 30 EDEDLO N#Cc1cccc(C(=O)COC(=O)CCCC[NH+]2CCOCC2)c1 ZINC000803512673 593338759 /nfs/dbraw/zinc/33/87/59/593338759.db2.gz JZBRGNGZQVBBQB-UHFFFAOYSA-N 1 2 330.384 1.787 20 30 EDEDLO N#CC[C@@H](O)C[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000809571875 593346732 /nfs/dbraw/zinc/34/67/32/593346732.db2.gz FJTDSRIZLORFLT-LLVKDONJSA-N 1 2 344.278 1.903 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804337296 593406505 /nfs/dbraw/zinc/40/65/05/593406505.db2.gz XDOGOWHZZQRYCD-UHFFFAOYSA-N 1 2 338.795 1.672 20 30 EDEDLO C=CCN1CCN(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)C1=O ZINC000840056236 593431079 /nfs/dbraw/zinc/43/10/79/593431079.db2.gz TXWBCXIYKJWUJL-UHFFFAOYSA-N 1 2 334.395 1.945 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000811992118 593488062 /nfs/dbraw/zinc/48/80/62/593488062.db2.gz YEIXNKIPAXAVQJ-ROUUACIJSA-N 1 2 329.444 1.989 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000811992118 593488063 /nfs/dbraw/zinc/48/80/63/593488063.db2.gz YEIXNKIPAXAVQJ-ROUUACIJSA-N 1 2 329.444 1.989 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000813376604 593530425 /nfs/dbraw/zinc/53/04/25/593530425.db2.gz RBRPGCKUFHRLNG-SFHVURJKSA-N 1 2 341.415 1.125 20 30 EDEDLO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000817283103 593588472 /nfs/dbraw/zinc/58/84/72/593588472.db2.gz XIEDKQFERSVCIC-WBVHZDCISA-N 1 2 342.443 1.841 20 30 EDEDLO CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000817283103 593588474 /nfs/dbraw/zinc/58/84/74/593588474.db2.gz XIEDKQFERSVCIC-WBVHZDCISA-N 1 2 342.443 1.841 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2cccnc2N=NC2CC3(CC3)C2)CC1 ZINC000814851467 593604891 /nfs/dbraw/zinc/60/48/91/593604891.db2.gz SZEKCMDKNWLIHC-UHFFFAOYSA-N 1 2 349.460 1.360 20 30 EDEDLO C#Cc1cccc(CNC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000817831123 593638565 /nfs/dbraw/zinc/63/85/65/593638565.db2.gz JZGZRMTUOWEQLT-UHFFFAOYSA-N 1 2 338.411 1.453 20 30 EDEDLO C#Cc1cccc(CNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000817833690 593638861 /nfs/dbraw/zinc/63/88/61/593638861.db2.gz NNBMMFVWDGHRSM-KRWDZBQOSA-N 1 2 348.406 1.074 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC)CC1 ZINC000818183729 593678204 /nfs/dbraw/zinc/67/82/04/593678204.db2.gz DGHLNEBCRKSMQW-SFHVURJKSA-N 1 2 347.463 1.094 20 30 EDEDLO CN1CC(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)=NC1=O ZINC000820114322 593792374 /nfs/dbraw/zinc/79/23/74/593792374.db2.gz MPGGXCJHEJIPSE-UHFFFAOYSA-N 1 2 339.399 1.345 20 30 EDEDLO C#C[C@H](C)NC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000820428277 593818236 /nfs/dbraw/zinc/81/82/36/593818236.db2.gz OQHOOZCALIBYRZ-AWEZNQCLSA-N 1 2 331.416 1.553 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000821754374 593930362 /nfs/dbraw/zinc/93/03/62/593930362.db2.gz AMEHIOOVRFWCQX-UHFFFAOYSA-N 1 2 326.360 1.038 20 30 EDEDLO CN(C)S(=O)(=O)c1cccc(C(=O)/C=C\c2ccc(N)[nH+]c2)c1 ZINC000821040315 593951197 /nfs/dbraw/zinc/95/11/97/593951197.db2.gz XMAYGILDILCSNQ-VURMDHGXSA-N 1 2 331.397 1.810 20 30 EDEDLO C[C@H](CC#N)[NH2+][C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824385424 593999336 /nfs/dbraw/zinc/99/93/36/593999336.db2.gz SRDKPEFTZWECHP-RISCZKNCSA-N 1 2 325.376 1.254 20 30 EDEDLO N#Cc1ccc(CCNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1 ZINC000824728393 594062791 /nfs/dbraw/zinc/06/27/91/594062791.db2.gz LYBVVVAEZULCFM-MSOLQXFVSA-N 1 2 343.427 1.097 20 30 EDEDLO C#CC1CC[NH+](Cc2nnc3n2c2ccccc2c(=O)n3CC)CC1 ZINC000830333913 594377190 /nfs/dbraw/zinc/37/71/90/594377190.db2.gz OYWHQWIGNBIXEP-UHFFFAOYSA-N 1 2 335.411 1.909 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cc(C#N)ccc3F)CC2)S1 ZINC000828747430 594494014 /nfs/dbraw/zinc/49/40/14/594494014.db2.gz ZRRVVSXYLAYYOU-LLVKDONJSA-N 1 2 332.404 1.946 20 30 EDEDLO C#CCOCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000121383118 594603135 /nfs/dbraw/zinc/60/31/35/594603135.db2.gz CVJFMUXMNGVAFF-SFHVURJKSA-N 1 2 330.428 1.524 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3scnc3C)n2CC2CC2)CC1 ZINC000831315161 594606038 /nfs/dbraw/zinc/60/60/38/594606038.db2.gz ZJYCXUILLOXFDH-UHFFFAOYSA-N 1 2 342.472 1.875 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+]2CC)c1 ZINC000829450109 594615432 /nfs/dbraw/zinc/61/54/32/594615432.db2.gz MPHOLNJPRCXQBC-HNNXBMFYSA-N 1 2 334.441 1.308 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CC)c1 ZINC000829450109 594615434 /nfs/dbraw/zinc/61/54/34/594615434.db2.gz MPHOLNJPRCXQBC-HNNXBMFYSA-N 1 2 334.441 1.308 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000831687159 594692672 /nfs/dbraw/zinc/69/26/72/594692672.db2.gz JREKGFURVHAJDA-JKSUJKDBSA-N 1 2 347.459 1.946 20 30 EDEDLO CCc1oc(C(=O)OC)cc1C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000831691489 594693103 /nfs/dbraw/zinc/69/31/03/594693103.db2.gz PABOVYRXIWQPET-UHFFFAOYSA-N 1 2 334.372 1.907 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000831698855 594693759 /nfs/dbraw/zinc/69/37/59/594693759.db2.gz BHEMBLPFGALJGQ-OAHLLOKOSA-N 1 2 327.384 1.719 20 30 EDEDLO N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)CC1 ZINC000836515351 594970865 /nfs/dbraw/zinc/97/08/65/594970865.db2.gz ALWHASOHBIFKGP-HNNXBMFYSA-N 1 2 336.399 1.731 20 30 EDEDLO C=C[C@@H](C)ONC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000845634845 595035912 /nfs/dbraw/zinc/03/59/12/595035912.db2.gz WHYQZHCWPCDZFQ-IAQYHMDHSA-N 1 2 343.387 1.331 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3CN(C4CC4)C(=O)O3)CC2)cn1 ZINC000844325215 595324693 /nfs/dbraw/zinc/32/46/93/595324693.db2.gz VGFKEVRBWYPOFJ-INIZCTEOSA-N 1 2 327.388 1.058 20 30 EDEDLO CCOC(=O)C1=C(C[NH2+][C@H](CC)CC#N)NC(=O)N[C@H]1c1ccco1 ZINC000846986926 595347101 /nfs/dbraw/zinc/34/71/01/595347101.db2.gz LCWROQRVYQFQNZ-ABAIWWIYSA-N 1 2 346.387 1.733 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2nc(CC(=O)OCC)cs2)C1 ZINC000847020746 595351701 /nfs/dbraw/zinc/35/17/01/595351701.db2.gz DNDTUDJEZARDOO-LBPRGKRZSA-N 1 2 335.429 1.532 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2nc(CC(=O)OCC)cs2)C1 ZINC000847020746 595351704 /nfs/dbraw/zinc/35/17/04/595351704.db2.gz DNDTUDJEZARDOO-LBPRGKRZSA-N 1 2 335.429 1.532 20 30 EDEDLO C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844528771 595355658 /nfs/dbraw/zinc/35/56/58/595355658.db2.gz LCTLAHSXTBLSLU-SFHVURJKSA-N 1 2 326.400 1.463 20 30 EDEDLO CC(=NNCCCn1cc[nH+]c1)c1cccc(OCC(=O)N(C)C)c1 ZINC000848418800 595375974 /nfs/dbraw/zinc/37/59/74/595375974.db2.gz UOOHHWSYCCJJHL-UHFFFAOYSA-N 1 2 343.431 1.754 20 30 EDEDLO C#CCNc1nc(N2CCC[C@H](C#C)C2)nc(N2CCC[C@@H](C#C)C2)[nH+]1 ZINC000848750202 595440454 /nfs/dbraw/zinc/44/04/54/595440454.db2.gz CVBABHXLUAJVIM-CALCHBBNSA-N 1 2 348.454 1.038 20 30 EDEDLO C#CCNc1nc(N2CCC[C@@H](C#C)C2)nc(N2CCC[C@H](C#C)C2)[nH+]1 ZINC000848750202 595440456 /nfs/dbraw/zinc/44/04/56/595440456.db2.gz CVBABHXLUAJVIM-CALCHBBNSA-N 1 2 348.454 1.038 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)CC1 ZINC000112920503 595569358 /nfs/dbraw/zinc/56/93/58/595569358.db2.gz VMMAJGBDPUHRLK-YOEHRIQHSA-N 1 2 325.412 1.672 20 30 EDEDLO C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000860099752 595579100 /nfs/dbraw/zinc/57/91/00/595579100.db2.gz KMIUCRVJAXMCEC-CYBMUJFWSA-N 1 2 342.399 1.880 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000858128554 595707633 /nfs/dbraw/zinc/70/76/33/595707633.db2.gz SSHBZJAQIQSGQA-INIZCTEOSA-N 1 2 346.431 1.146 20 30 EDEDLO CCC1N=NC(=S)N1[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853265409 595722391 /nfs/dbraw/zinc/72/23/91/595722391.db2.gz SOWANXBFMQBKNQ-UHFFFAOYSA-N 1 2 331.445 1.973 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000853465460 595758060 /nfs/dbraw/zinc/75/80/60/595758060.db2.gz UXLPRMJFTSNBRP-UHFFFAOYSA-N 1 2 342.399 1.394 20 30 EDEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)C1 ZINC000853526536 595785946 /nfs/dbraw/zinc/78/59/46/595785946.db2.gz SOWCIJXMPKWMRA-HZPDHXFCSA-N 1 2 326.400 1.733 20 30 EDEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)C1 ZINC000853526536 595785949 /nfs/dbraw/zinc/78/59/49/595785949.db2.gz SOWCIJXMPKWMRA-HZPDHXFCSA-N 1 2 326.400 1.733 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)C1=O ZINC000853532160 595787958 /nfs/dbraw/zinc/78/79/58/595787958.db2.gz VHHGVVPCOMKQLA-NEPJUHHUSA-N 1 2 349.353 1.541 20 30 EDEDLO C=CCN1CCN(C[N@H+]2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)C1=O ZINC000853532160 595787961 /nfs/dbraw/zinc/78/79/61/595787961.db2.gz VHHGVVPCOMKQLA-NEPJUHHUSA-N 1 2 349.353 1.541 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1NCCNS(=O)(=O)NC(C)C ZINC000853534450 595789056 /nfs/dbraw/zinc/78/90/56/595789056.db2.gz MSPJQURIHBTUSK-UHFFFAOYSA-N 1 2 340.449 1.118 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000853619964 595834131 /nfs/dbraw/zinc/83/41/31/595834131.db2.gz ORROUFLQDFGFMC-ZRDIBKRKSA-N 1 2 341.411 1.851 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000853619964 595834133 /nfs/dbraw/zinc/83/41/33/595834133.db2.gz ORROUFLQDFGFMC-ZRDIBKRKSA-N 1 2 341.411 1.851 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O ZINC000853619476 595834472 /nfs/dbraw/zinc/83/44/72/595834472.db2.gz CIFXMTJJYYRLOQ-OAHLLOKOSA-N 1 2 329.400 1.773 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O ZINC000853619476 595834476 /nfs/dbraw/zinc/83/44/76/595834476.db2.gz CIFXMTJJYYRLOQ-OAHLLOKOSA-N 1 2 329.400 1.773 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1cc(C#N)ccc1F ZINC000853796065 595883406 /nfs/dbraw/zinc/88/34/06/595883406.db2.gz ZLJGDSRMJQRQJN-OLZOCXBDSA-N 1 2 334.395 1.606 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1cc(C#N)ccc1F ZINC000853796065 595883408 /nfs/dbraw/zinc/88/34/08/595883408.db2.gz ZLJGDSRMJQRQJN-OLZOCXBDSA-N 1 2 334.395 1.606 20 30 EDEDLO N#Cc1ccc(F)c(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000856072848 595887964 /nfs/dbraw/zinc/88/79/64/595887964.db2.gz YBALCYBVMUUZBZ-UHFFFAOYSA-N 1 2 331.391 1.882 20 30 EDEDLO COc1ccc(CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1C#N ZINC000853882043 595910357 /nfs/dbraw/zinc/91/03/57/595910357.db2.gz RKWNNDQGJGSMIZ-UONOGXRCSA-N 1 2 346.431 1.475 20 30 EDEDLO COc1ccc(CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1C#N ZINC000853882043 595910360 /nfs/dbraw/zinc/91/03/60/595910360.db2.gz RKWNNDQGJGSMIZ-UONOGXRCSA-N 1 2 346.431 1.475 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000854006524 595950443 /nfs/dbraw/zinc/95/04/43/595950443.db2.gz IDGSBLWZJUXZFQ-ZDUSSCGKSA-N 1 2 332.404 1.184 20 30 EDEDLO Cn1c(Cl)cnc1C[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000859239971 596014213 /nfs/dbraw/zinc/01/42/13/596014213.db2.gz JDYBJIGDSNTMDJ-GFCCVEGCSA-N 1 2 326.828 1.577 20 30 EDEDLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000859239971 596014218 /nfs/dbraw/zinc/01/42/18/596014218.db2.gz JDYBJIGDSNTMDJ-GFCCVEGCSA-N 1 2 326.828 1.577 20 30 EDEDLO C#C[C@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)C1CCOCC1 ZINC000852031641 596015525 /nfs/dbraw/zinc/01/55/25/596015525.db2.gz UQXIGXMOYZMPMA-HNNXBMFYSA-N 1 2 331.416 1.935 20 30 EDEDLO C=CCCNC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000852185126 596075759 /nfs/dbraw/zinc/07/57/59/596075759.db2.gz LJPBEYJPTCAZIF-UHFFFAOYSA-N 1 2 326.441 1.414 20 30 EDEDLO C=CC[N@@H+](CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1)[C@H](C)COC ZINC000852360179 596136100 /nfs/dbraw/zinc/13/61/00/596136100.db2.gz UQOYOMZVCMHOEG-VXGBXAGGSA-N 1 2 325.409 1.028 20 30 EDEDLO C=CC[N@H+](CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1)[C@H](C)COC ZINC000852360179 596136102 /nfs/dbraw/zinc/13/61/02/596136102.db2.gz UQOYOMZVCMHOEG-VXGBXAGGSA-N 1 2 325.409 1.028 20 30 EDEDLO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000852478208 596177471 /nfs/dbraw/zinc/17/74/71/596177471.db2.gz RKMGNLQOHPOXMF-LLVKDONJSA-N 1 2 326.322 1.772 20 30 EDEDLO C#CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000852478208 596177475 /nfs/dbraw/zinc/17/74/75/596177475.db2.gz RKMGNLQOHPOXMF-LLVKDONJSA-N 1 2 326.322 1.772 20 30 EDEDLO N#Cc1ccccc1CSCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864570181 596268182 /nfs/dbraw/zinc/26/81/82/596268182.db2.gz ISCFLMDMBGYRPI-ZZXKWVIFSA-N 1 2 345.468 1.796 20 30 EDEDLO C#CCOc1ccc(C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000862456905 596331520 /nfs/dbraw/zinc/33/15/20/596331520.db2.gz WGXFUYWXASLOAS-UHFFFAOYSA-N 1 2 334.441 1.308 20 30 EDEDLO N#CCc1ccccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867710598 596507962 /nfs/dbraw/zinc/50/79/62/596507962.db2.gz FTUFDDZGKUMNIP-AWEZNQCLSA-N 1 2 325.409 1.465 20 30 EDEDLO N#CCc1ccccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867710598 596507964 /nfs/dbraw/zinc/50/79/64/596507964.db2.gz FTUFDDZGKUMNIP-AWEZNQCLSA-N 1 2 325.409 1.465 20 30 EDEDLO CO[C@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000865288748 596529751 /nfs/dbraw/zinc/52/97/51/596529751.db2.gz RMYPKXKZXQJSQW-HAQNSBGRSA-N 1 2 326.400 1.824 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)C1=O ZINC000863329809 596552962 /nfs/dbraw/zinc/55/29/62/596552962.db2.gz GQXUOPFTPPMPPT-INIZCTEOSA-N 1 2 329.400 1.640 20 30 EDEDLO C=CCN1CCN(C[N@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)C1=O ZINC000863329809 596552963 /nfs/dbraw/zinc/55/29/63/596552963.db2.gz GQXUOPFTPPMPPT-INIZCTEOSA-N 1 2 329.400 1.640 20 30 EDEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865464365 596583033 /nfs/dbraw/zinc/58/30/33/596583033.db2.gz JDMGPAHEFSPEEB-QGZVFWFLSA-N 1 2 326.400 1.759 20 30 EDEDLO CN1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)Cc2ccc[nH+]c21 ZINC000867900658 596608932 /nfs/dbraw/zinc/60/89/32/596608932.db2.gz YDQLFSBXAHUDLD-UHFFFAOYSA-N 1 2 346.387 1.733 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000865552774 596609143 /nfs/dbraw/zinc/60/91/43/596609143.db2.gz OTUVIGKRCBTSAY-JOCHJYFZSA-N 1 2 334.470 1.668 20 30 EDEDLO Cc1cc(C(N)=[NH+]OCc2cn(C[C@H]3CCOC3)nn2)ccc1F ZINC000871727986 596679585 /nfs/dbraw/zinc/67/95/85/596679585.db2.gz IGSSZJZYTHYRCV-GFCCVEGCSA-N 1 2 333.367 1.599 20 30 EDEDLO C=C(Cl)C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(=O)OCC ZINC000870032117 596717960 /nfs/dbraw/zinc/71/79/60/596717960.db2.gz CZVLQWKKLRWNMR-IHVVCDCBSA-N 1 2 330.812 1.065 20 30 EDEDLO N#Cc1cc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)ccc1Cl ZINC000870062382 596730291 /nfs/dbraw/zinc/73/02/91/596730291.db2.gz ABGLOBBFDMGHLK-OAHLLOKOSA-N 1 2 349.818 1.385 20 30 EDEDLO CCC(CC)/N=C1/NC(=O)[C@H](CC(=O)NCCC[NH+](C)C)S1 ZINC000864344569 596862302 /nfs/dbraw/zinc/86/23/02/596862302.db2.gz BHHOFRNGYMDNTK-LBPRGKRZSA-N 1 2 328.482 1.221 20 30 EDEDLO c1cc(N=NCc2ccc(OCC[NH+]3CCOCC3)cc2)ncn1 ZINC000872380202 596896566 /nfs/dbraw/zinc/89/65/66/596896566.db2.gz DDVQPPILSRQGPN-UHFFFAOYSA-N 1 2 327.388 1.634 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000872452196 596913970 /nfs/dbraw/zinc/91/39/70/596913970.db2.gz XVLYRTYBJGVBIU-CYBMUJFWSA-N 1 2 337.445 1.113 20 30 EDEDLO C#C[C@H](CCC)NC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000875725190 596963186 /nfs/dbraw/zinc/96/31/86/596963186.db2.gz PCJWEUOZGOZACJ-OWCLPIDISA-N 1 2 328.416 1.348 20 30 EDEDLO N#CCCN1CC[NH+](CN2C[C@@H](Cc3ccccc3)CC2=O)CC1 ZINC000872733149 597050766 /nfs/dbraw/zinc/05/07/66/597050766.db2.gz RUTGDWAJMBFQKE-SFHVURJKSA-N 1 2 326.444 1.566 20 30 EDEDLO C[C@@]1(Cc2ccccc2)CCN(C[NH+]2CCN(CCC#N)CC2)C1=O ZINC000872734104 597051345 /nfs/dbraw/zinc/05/13/45/597051345.db2.gz XLYMMAFNZQYBPT-FQEVSTJZSA-N 1 2 340.471 1.956 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C(=O)[C@H]4CCCCC[C@@H]43)CC2)cn1 ZINC000872793041 597072574 /nfs/dbraw/zinc/07/25/74/597072574.db2.gz IWQSLPVNVKIZIL-ROUUACIJSA-N 1 2 339.443 1.824 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000874698582 597141326 /nfs/dbraw/zinc/14/13/26/597141326.db2.gz HZWBIIOVHCCMDK-GOEBONIOSA-N 1 2 331.416 1.553 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000874698582 597141329 /nfs/dbraw/zinc/14/13/29/597141329.db2.gz HZWBIIOVHCCMDK-GOEBONIOSA-N 1 2 331.416 1.553 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000874701375 597145053 /nfs/dbraw/zinc/14/50/53/597145053.db2.gz VCZDSJUFLZXJQB-GOEBONIOSA-N 1 2 331.416 1.553 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000874701375 597145054 /nfs/dbraw/zinc/14/50/54/597145054.db2.gz VCZDSJUFLZXJQB-GOEBONIOSA-N 1 2 331.416 1.553 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000874996543 597236645 /nfs/dbraw/zinc/23/66/45/597236645.db2.gz DZNBNRICAJUHSN-ROUUACIJSA-N 1 2 345.443 1.225 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000874996543 597236650 /nfs/dbraw/zinc/23/66/50/597236650.db2.gz DZNBNRICAJUHSN-ROUUACIJSA-N 1 2 345.443 1.225 20 30 EDEDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)C(=O)N1c1cnn(C)c1 ZINC000877070715 597426075 /nfs/dbraw/zinc/42/60/75/597426075.db2.gz TUUSBPVTMCRTEU-QMTHXVAHSA-N 1 2 344.806 1.624 20 30 EDEDLO CN1C(=O)NC2(CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)C1=O ZINC000877525989 597530672 /nfs/dbraw/zinc/53/06/72/597530672.db2.gz DFHBUJGFRPWHBD-UHFFFAOYSA-N 1 2 333.779 1.123 20 30 EDEDLO CS(C)(=O)=NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000877898496 597562761 /nfs/dbraw/zinc/56/27/61/597562761.db2.gz OKFQZRIINRVGAD-UHFFFAOYSA-N 1 2 348.472 1.320 20 30 EDEDLO CS(C)(=O)=NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000877898496 597562762 /nfs/dbraw/zinc/56/27/62/597562762.db2.gz OKFQZRIINRVGAD-UHFFFAOYSA-N 1 2 348.472 1.320 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCN2C(=O)OCC[C@H]2C1)c1ccccc1 ZINC000878325908 597595657 /nfs/dbraw/zinc/59/56/57/597595657.db2.gz NQVZKFYGTAPEJB-HKUYNNGSSA-N 1 2 341.411 1.954 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCN2C(=O)OCC[C@H]2C1)c1ccccc1 ZINC000878325908 597595658 /nfs/dbraw/zinc/59/56/58/597595658.db2.gz NQVZKFYGTAPEJB-HKUYNNGSSA-N 1 2 341.411 1.954 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 ZINC000878331863 597596216 /nfs/dbraw/zinc/59/62/16/597596216.db2.gz ZYVCGQWKLSWZND-IEBWSBKVSA-N 1 2 325.412 1.734 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 ZINC000878331863 597596217 /nfs/dbraw/zinc/59/62/17/597596217.db2.gz ZYVCGQWKLSWZND-IEBWSBKVSA-N 1 2 325.412 1.734 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1)c1ccccc1 ZINC000878680807 597677105 /nfs/dbraw/zinc/67/71/05/597677105.db2.gz ZCSZBMXVBILWBX-FUHIMQAGSA-N 1 2 343.471 1.814 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1)c1ccccc1 ZINC000878680807 597677108 /nfs/dbraw/zinc/67/71/08/597677108.db2.gz ZCSZBMXVBILWBX-FUHIMQAGSA-N 1 2 343.471 1.814 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)CCC1 ZINC000879692212 597689144 /nfs/dbraw/zinc/68/91/44/597689144.db2.gz QIWHUWXYADBBEW-HNNXBMFYSA-N 1 2 325.416 1.428 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)CCC1 ZINC000879692212 597689145 /nfs/dbraw/zinc/68/91/45/597689145.db2.gz QIWHUWXYADBBEW-HNNXBMFYSA-N 1 2 325.416 1.428 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879932667 597772130 /nfs/dbraw/zinc/77/21/30/597772130.db2.gz YHJIJVISUVQTBO-SOUVJXGZSA-N 1 2 328.478 1.166 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879932667 597772132 /nfs/dbraw/zinc/77/21/32/597772132.db2.gz YHJIJVISUVQTBO-SOUVJXGZSA-N 1 2 328.478 1.166 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2c(C#N)cnn2-c2ccccc2)CC1 ZINC000882009366 597839779 /nfs/dbraw/zinc/83/97/79/597839779.db2.gz SHEGQNZQDNKGLC-XMMPIXPASA-N 1 2 343.456 1.244 20 30 EDEDLO N#Cc1cccc(Oc2ccnc(NC[C@H]3C[NH+]4CCN3CC4)n2)c1 ZINC000882122193 597874843 /nfs/dbraw/zinc/87/48/43/597874843.db2.gz DUOAUXOZSISQIK-HNNXBMFYSA-N 1 2 336.399 1.552 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc([C@@]2(C)COC(=O)N2)c1 ZINC000882248900 597912918 /nfs/dbraw/zinc/91/29/18/597912918.db2.gz UVYVOFNHPPDZPM-MAUKXSAKSA-N 1 2 327.384 1.678 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([C@@]2(C)COC(=O)N2)c1 ZINC000882248900 597912920 /nfs/dbraw/zinc/91/29/20/597912920.db2.gz UVYVOFNHPPDZPM-MAUKXSAKSA-N 1 2 327.384 1.678 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)N1CCc2ccccc21 ZINC000884194072 598022361 /nfs/dbraw/zinc/02/23/61/598022361.db2.gz YQSQQLPQMBLIID-HIFRSBDPSA-N 1 2 331.416 1.000 20 30 EDEDLO C#CCC1(O)CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000882968261 598120783 /nfs/dbraw/zinc/12/07/83/598120783.db2.gz IYCOFUPMRARLAZ-LSDHHAIUSA-N 1 2 330.432 1.038 20 30 EDEDLO C#CCC1(O)CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000882968261 598120786 /nfs/dbraw/zinc/12/07/86/598120786.db2.gz IYCOFUPMRARLAZ-LSDHHAIUSA-N 1 2 330.432 1.038 20 30 EDEDLO C[C@@H](C#N)C(=O)NCc1ccccc1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001060521282 695723593 /nfs/dbraw/zinc/72/35/93/695723593.db2.gz CEMJCINUSDOUAX-AWEZNQCLSA-N 1 2 339.399 1.318 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H](O)[C@@H](C)c3ccccc3)C2)nc1 ZINC001031278265 696106033 /nfs/dbraw/zinc/10/60/33/696106033.db2.gz JMLNTFUIFBGTMB-MGPUTAFESA-N 1 2 349.434 1.642 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@H+](Cc2cnnn2C)[C@@H]1C ZINC000993447797 696158881 /nfs/dbraw/zinc/15/88/81/696158881.db2.gz PFTAQQJQWLVXKR-ZBFHGGJFSA-N 1 2 342.447 1.586 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2C)[C@@H]1C ZINC000993447797 696158882 /nfs/dbraw/zinc/15/88/82/696158882.db2.gz PFTAQQJQWLVXKR-ZBFHGGJFSA-N 1 2 342.447 1.586 20 30 EDEDLO Cc1cc(NC2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)c(C#N)cn1 ZINC001060603320 696277377 /nfs/dbraw/zinc/27/73/77/696277377.db2.gz LYUSNYNWKZQLLC-UHFFFAOYSA-N 1 2 338.415 1.489 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3cnc(C)nc3)[C@H]2C)c1 ZINC000993772802 696368017 /nfs/dbraw/zinc/36/80/17/696368017.db2.gz NVYOOBYLQJMKMR-LIRRHRJNSA-N 1 2 349.438 1.944 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnc(C)nc3)[C@H]2C)c1 ZINC000993772802 696368019 /nfs/dbraw/zinc/36/80/19/696368019.db2.gz NVYOOBYLQJMKMR-LIRRHRJNSA-N 1 2 349.438 1.944 20 30 EDEDLO N#Cc1cnc(NC2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC001060624865 696433418 /nfs/dbraw/zinc/43/34/18/696433418.db2.gz NWIFXSVMSYBIDA-UHFFFAOYSA-N 1 2 325.376 1.153 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000918816007 697211684 /nfs/dbraw/zinc/21/16/84/697211684.db2.gz SLYPGKLNRCFTIJ-KRWDZBQOSA-N 1 2 345.443 1.609 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCCOC1 ZINC001031570265 697262885 /nfs/dbraw/zinc/26/28/85/697262885.db2.gz PVGSOZUELRCANB-QGZVFWFLSA-N 1 2 330.403 1.652 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cccc(=O)[nH]3)C2)cc1F ZINC001031600967 697301016 /nfs/dbraw/zinc/30/10/16/697301016.db2.gz YQRULFZAJLTOPT-UHFFFAOYSA-N 1 2 340.358 1.660 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)C3CCC(O)CC3)C2)cc1F ZINC001031640567 697390753 /nfs/dbraw/zinc/39/07/53/697390753.db2.gz WBXQVEPQFKQDHX-UHFFFAOYSA-N 1 2 345.418 1.796 20 30 EDEDLO COc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)ncn1 ZINC001031674883 697483799 /nfs/dbraw/zinc/48/37/99/697483799.db2.gz UPCFKILYDDVEND-UHFFFAOYSA-N 1 2 343.412 1.280 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)o1 ZINC000921322310 697551256 /nfs/dbraw/zinc/55/12/56/697551256.db2.gz QFDYYIWUQDXHMC-RYUDHWBXSA-N 1 2 327.431 1.009 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)o1 ZINC000921322310 697551259 /nfs/dbraw/zinc/55/12/59/697551259.db2.gz QFDYYIWUQDXHMC-RYUDHWBXSA-N 1 2 327.431 1.009 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000921322669 697551573 /nfs/dbraw/zinc/55/15/73/697551573.db2.gz WQQCLOQGRHFYHG-GJZGRUSLSA-N 1 2 337.470 1.416 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000921322669 697551574 /nfs/dbraw/zinc/55/15/74/697551574.db2.gz WQQCLOQGRHFYHG-GJZGRUSLSA-N 1 2 337.470 1.416 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccn(C(F)F)n1 ZINC001031699239 697642052 /nfs/dbraw/zinc/64/20/52/697642052.db2.gz HBEYSBPFWGULPR-UHFFFAOYSA-N 1 2 344.365 1.992 20 30 EDEDLO C[C@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032077540 698179770 /nfs/dbraw/zinc/17/97/70/698179770.db2.gz ZVLDGJYEMBGJBH-WBMJQRKESA-N 1 2 331.391 1.670 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000943571829 698489881 /nfs/dbraw/zinc/48/98/81/698489881.db2.gz PVBRRRKNRDOEAV-BMFZPTHFSA-N 1 2 346.431 1.041 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000938861233 698855382 /nfs/dbraw/zinc/85/53/82/698855382.db2.gz BRZAXQBIEIBEQT-BFHYXJOUSA-N 1 2 330.432 1.453 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2nocc2C)C1 ZINC001032107756 698903364 /nfs/dbraw/zinc/90/33/64/698903364.db2.gz VNFGUYXWKQLMMB-UHFFFAOYSA-N 1 2 340.383 1.725 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@]23CCOC3)C1 ZINC001032114746 698961598 /nfs/dbraw/zinc/96/15/98/698961598.db2.gz JGFUMVSKZQSVHI-IEBWSBKVSA-N 1 2 325.412 1.533 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3nncc4ccccc43)CC2)C1 ZINC000941483761 701554312 /nfs/dbraw/zinc/55/43/12/701554312.db2.gz GTOXHWTZTNRUBJ-UHFFFAOYSA-N 1 2 349.438 1.095 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3CCC4(CC4)CC3)CC2)C1 ZINC000941488074 701556161 /nfs/dbraw/zinc/55/61/61/701556161.db2.gz ZJZMIAJJKUASEG-UHFFFAOYSA-N 1 2 329.488 1.809 20 30 EDEDLO C[C@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000939053909 699114103 /nfs/dbraw/zinc/11/41/03/699114103.db2.gz BPCWNNWDKMHXNF-WFASDCNBSA-N 1 2 339.399 1.248 20 30 EDEDLO CC[C@@H](F)C(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941520389 701568624 /nfs/dbraw/zinc/56/86/24/701568624.db2.gz LRFCJKLGMQTAID-GOSISDBHSA-N 1 2 344.434 1.635 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nc(CC)no3)C2)c1 ZINC000939114861 699196663 /nfs/dbraw/zinc/19/66/63/699196663.db2.gz ZLSHTYSIDAHNKD-DOMZBBRYSA-N 1 2 339.399 1.259 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C(C)C)nc3C)CC2)C1 ZINC000941571240 701580914 /nfs/dbraw/zinc/58/09/14/701580914.db2.gz PURGFCUNEBZVHA-UHFFFAOYSA-N 1 2 340.471 1.589 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)cc(F)c3)CC2)C1 ZINC000941578033 701587879 /nfs/dbraw/zinc/58/78/79/701587879.db2.gz AUPMVINHMBVGPW-UHFFFAOYSA-N 1 2 329.419 1.599 20 30 EDEDLO COc1nccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)n1 ZINC001031839514 699804019 /nfs/dbraw/zinc/80/40/19/699804019.db2.gz XSOFEDLFROHHKC-UHFFFAOYSA-N 1 2 337.383 1.219 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)C1 ZINC000945512466 700395784 /nfs/dbraw/zinc/39/57/84/700395784.db2.gz JVEHGPVJFHPVJK-ZFWWWQNUSA-N 1 2 330.432 1.662 20 30 EDEDLO COc1nc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)co1 ZINC001031880003 700490989 /nfs/dbraw/zinc/49/09/89/700490989.db2.gz DDRGPLRCCFKXFV-UHFFFAOYSA-N 1 2 344.346 1.556 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)c1csnn1 ZINC001031881403 700528862 /nfs/dbraw/zinc/52/88/62/700528862.db2.gz HSSCZRDDGHHWQQ-UHFFFAOYSA-N 1 2 330.388 1.391 20 30 EDEDLO Cn1cnnc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940693541 700835697 /nfs/dbraw/zinc/83/56/97/700835697.db2.gz WSPHDMMHEDGABQ-CQSZACIVSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1cnnc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940693541 700835698 /nfs/dbraw/zinc/83/56/98/700835698.db2.gz WSPHDMMHEDGABQ-CQSZACIVSA-N 1 2 341.419 1.045 20 30 EDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873429 700970408 /nfs/dbraw/zinc/97/04/08/700970408.db2.gz NPIUDDKBGWXPMO-GJZGRUSLSA-N 1 2 340.489 1.051 20 30 EDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873429 700970410 /nfs/dbraw/zinc/97/04/10/700970410.db2.gz NPIUDDKBGWXPMO-GJZGRUSLSA-N 1 2 340.489 1.051 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4ccncc4s3)CC2)C1 ZINC000941437976 701540751 /nfs/dbraw/zinc/54/07/51/701540751.db2.gz HUFRACIZFPMSNJ-UHFFFAOYSA-N 1 2 340.452 1.372 20 30 EDEDLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1CN2CC#Cc1ccc(F)cc1 ZINC001032652409 706622692 /nfs/dbraw/zinc/62/26/92/706622692.db2.gz QEOLQUVOAKRVFC-ROUUACIJSA-N 1 2 338.386 1.428 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccncc3Cl)C2)cn1 ZINC001032136696 701900390 /nfs/dbraw/zinc/90/03/90/701900390.db2.gz FHOVTMWDXNEAOL-UHFFFAOYSA-N 1 2 340.814 1.973 20 30 EDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2-c2cnn(C)c2)[C@@H](C)C1 ZINC000944080615 702164881 /nfs/dbraw/zinc/16/48/81/702164881.db2.gz ORSGODKHHWHZSM-WFASDCNBSA-N 1 2 328.420 1.436 20 30 EDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2-c2cnn(C)c2)[C@@H](C)C1 ZINC000944080615 702164886 /nfs/dbraw/zinc/16/48/86/702164886.db2.gz ORSGODKHHWHZSM-WFASDCNBSA-N 1 2 328.420 1.436 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)[C@@H](C)C1 ZINC000942026378 702436337 /nfs/dbraw/zinc/43/63/37/702436337.db2.gz ZUUSQBMXTUBNBD-GXSJLCMTSA-N 1 2 342.241 1.164 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)[C@@H](C)C1 ZINC000942026378 702436339 /nfs/dbraw/zinc/43/63/39/702436339.db2.gz ZUUSQBMXTUBNBD-GXSJLCMTSA-N 1 2 342.241 1.164 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nn2)C[C@H]1C ZINC000942130992 702635244 /nfs/dbraw/zinc/63/52/44/702635244.db2.gz QYHDQEGLDGMMBF-ZBFHGGJFSA-N 1 2 342.447 1.443 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cn(C)nn2)C[C@H]1C ZINC000942130992 702635246 /nfs/dbraw/zinc/63/52/46/702635246.db2.gz QYHDQEGLDGMMBF-ZBFHGGJFSA-N 1 2 342.447 1.443 20 30 EDEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3cc(F)cc(F)c3)C2)nn1 ZINC001032035615 703104119 /nfs/dbraw/zinc/10/41/19/703104119.db2.gz HRALMHVDOMTZHR-UHFFFAOYSA-N 1 2 347.369 1.604 20 30 EDEDLO Cc1n[nH]c(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032687426 706722761 /nfs/dbraw/zinc/72/27/61/706722761.db2.gz HLVZMYQMHPUYKU-IRXDYDNUSA-N 1 2 335.411 1.997 20 30 EDEDLO Cc1n[nH]c(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032687426 706722765 /nfs/dbraw/zinc/72/27/65/706722765.db2.gz HLVZMYQMHPUYKU-IRXDYDNUSA-N 1 2 335.411 1.997 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO[C@H]2CC2(F)F)c1 ZINC001032340556 703160398 /nfs/dbraw/zinc/16/03/98/703160398.db2.gz YKARPQXQAKVFPQ-OBJOEFQTSA-N 1 2 336.342 1.209 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO[C@H]2CC2(F)F)c1 ZINC001032340556 703160399 /nfs/dbraw/zinc/16/03/99/703160399.db2.gz YKARPQXQAKVFPQ-OBJOEFQTSA-N 1 2 336.342 1.209 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C(N)=O)c2)[nH]1 ZINC001032362826 703239579 /nfs/dbraw/zinc/23/95/79/703239579.db2.gz WDPJIYAXMAEPGL-HOTGVXAUSA-N 1 2 349.394 1.084 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C(N)=O)c2)[nH]1 ZINC001032362826 703239581 /nfs/dbraw/zinc/23/95/81/703239581.db2.gz WDPJIYAXMAEPGL-HOTGVXAUSA-N 1 2 349.394 1.084 20 30 EDEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)cnn1 ZINC001032374469 703327637 /nfs/dbraw/zinc/32/76/37/703327637.db2.gz AWUACDOPEWKQJZ-ROUUACIJSA-N 1 2 333.395 1.756 20 30 EDEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)cnn1 ZINC001032374469 703327640 /nfs/dbraw/zinc/32/76/40/703327640.db2.gz AWUACDOPEWKQJZ-ROUUACIJSA-N 1 2 333.395 1.756 20 30 EDEDLO O=C(CCc1ncccn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032692544 706743689 /nfs/dbraw/zinc/74/36/89/706743689.db2.gz JPIOWLANMCWSGN-OALUTQOASA-N 1 2 346.434 1.746 20 30 EDEDLO O=C(CCc1ncccn1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032692544 706743692 /nfs/dbraw/zinc/74/36/92/706743692.db2.gz JPIOWLANMCWSGN-OALUTQOASA-N 1 2 346.434 1.746 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCOC2)cc1C#N ZINC001038096126 703470183 /nfs/dbraw/zinc/47/01/83/703470183.db2.gz LVEDSACJYJSKNP-ZBFHGGJFSA-N 1 2 329.400 1.294 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCOC2)cc1C#N ZINC001038096126 703470185 /nfs/dbraw/zinc/47/01/85/703470185.db2.gz LVEDSACJYJSKNP-ZBFHGGJFSA-N 1 2 329.400 1.294 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)cc1 ZINC000997335824 703563293 /nfs/dbraw/zinc/56/32/93/703563293.db2.gz XOOSWKAIVMFXDQ-INIZCTEOSA-N 1 2 348.406 1.452 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C(C)(C)C1 ZINC000995563824 703951976 /nfs/dbraw/zinc/95/19/76/703951976.db2.gz QEZFXEJOGOCYFC-DGCLKSJQSA-N 1 2 331.420 1.823 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccc(F)cc2C1 ZINC001032520242 703958455 /nfs/dbraw/zinc/95/84/55/703958455.db2.gz IABMHGRMKRWDJA-XIRDDKMYSA-N 1 2 328.387 1.685 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccc(F)cc2C1 ZINC001032520242 703958458 /nfs/dbraw/zinc/95/84/58/703958458.db2.gz IABMHGRMKRWDJA-XIRDDKMYSA-N 1 2 328.387 1.685 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033087260 704160437 /nfs/dbraw/zinc/16/04/37/704160437.db2.gz TZUDGRBYHIVJON-ZACQAIPSSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033087260 704160438 /nfs/dbraw/zinc/16/04/38/704160438.db2.gz TZUDGRBYHIVJON-ZACQAIPSSA-N 1 2 333.432 1.997 20 30 EDEDLO Cc1cc(C)c(C(=O)NC[C@H]2CN(C(=O)[C@H](C)C#N)CCO2)c(C)[nH+]1 ZINC000944707908 704552316 /nfs/dbraw/zinc/55/23/16/704552316.db2.gz IRUQYVNOAHLPKS-DOMZBBRYSA-N 1 2 344.415 1.124 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001032225393 704784284 /nfs/dbraw/zinc/78/42/84/704784284.db2.gz QHTPHHMIAKDPRV-UHFFFAOYSA-N 1 2 327.856 1.482 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCN(C(C)C)C1=O ZINC001032560468 704784462 /nfs/dbraw/zinc/78/44/62/704784462.db2.gz ZBOYBBNPVXISJV-HRCADAONSA-N 1 2 333.476 1.883 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCN(C(C)C)C1=O ZINC001032560468 704784463 /nfs/dbraw/zinc/78/44/63/704784463.db2.gz ZBOYBBNPVXISJV-HRCADAONSA-N 1 2 333.476 1.883 20 30 EDEDLO Cc1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)n1C ZINC001032588669 705140691 /nfs/dbraw/zinc/14/06/91/705140691.db2.gz MZSZFTHVYKFAIW-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO Cc1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)n1C ZINC001032588669 705140694 /nfs/dbraw/zinc/14/06/94/705140694.db2.gz MZSZFTHVYKFAIW-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)c2cccc3nn[nH]c32)CC1 ZINC000998014375 705190923 /nfs/dbraw/zinc/19/09/23/705190923.db2.gz YCSADKHPDUQJLT-CQSZACIVSA-N 1 2 325.416 1.908 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cccc3nn[nH]c32)CC1 ZINC000998014375 705190926 /nfs/dbraw/zinc/19/09/26/705190926.db2.gz YCSADKHPDUQJLT-CQSZACIVSA-N 1 2 325.416 1.908 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000998194441 705507234 /nfs/dbraw/zinc/50/72/34/705507234.db2.gz GPKONJLGMQGBOU-OAHLLOKOSA-N 1 2 325.416 1.908 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]nc(C)c1C(F)(F)F ZINC001032626742 705726265 /nfs/dbraw/zinc/72/62/65/705726265.db2.gz MEPOOJUTAGSTRI-QWRGUYRKSA-N 1 2 326.322 1.659 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1[nH]nc(C)c1C(F)(F)F ZINC001032626742 705726269 /nfs/dbraw/zinc/72/62/69/705726269.db2.gz MEPOOJUTAGSTRI-QWRGUYRKSA-N 1 2 326.322 1.659 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC000998757247 706192121 /nfs/dbraw/zinc/19/21/21/706192121.db2.gz WPHDDAULZDIXKJ-JSGCOSHPSA-N 1 2 331.420 1.967 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)C2CC([NH2+]Cc3noc(CC)n3)C2)nc1 ZINC000999706268 707296839 /nfs/dbraw/zinc/29/68/39/707296839.db2.gz PYZFGJVXPAMXEF-UHFFFAOYSA-N 1 2 339.399 1.401 20 30 EDEDLO CC(C)(C(=O)N1CC[C@@H](CNc2ccc(C#N)nn2)C1)c1c[nH+]c[nH]1 ZINC001060895064 707650107 /nfs/dbraw/zinc/65/01/07/707650107.db2.gz WVERIBDDKULUNY-LBPRGKRZSA-N 1 2 339.403 1.310 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccoc2CC(N)=O)C1 ZINC001033367456 707665339 /nfs/dbraw/zinc/66/53/39/707665339.db2.gz DCALJILGGPAMSS-NSHDSACASA-N 1 2 325.796 1.206 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccoc2CC(N)=O)C1 ZINC001033367456 707665341 /nfs/dbraw/zinc/66/53/41/707665341.db2.gz DCALJILGGPAMSS-NSHDSACASA-N 1 2 325.796 1.206 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033217993 707745454 /nfs/dbraw/zinc/74/54/54/707745454.db2.gz UFWAYNHRIYXVPQ-ZDUSSCGKSA-N 1 2 328.351 1.162 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033217993 707745455 /nfs/dbraw/zinc/74/54/55/707745455.db2.gz UFWAYNHRIYXVPQ-ZDUSSCGKSA-N 1 2 328.351 1.162 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2scnc2C)cn1 ZINC001032739484 707771089 /nfs/dbraw/zinc/77/10/89/707771089.db2.gz DMYZWUHXYJQRBG-HOTGVXAUSA-N 1 2 338.436 1.927 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2scnc2C)cn1 ZINC001032739484 707771093 /nfs/dbraw/zinc/77/10/93/707771093.db2.gz DMYZWUHXYJQRBG-HOTGVXAUSA-N 1 2 338.436 1.927 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001033440495 707869522 /nfs/dbraw/zinc/86/95/22/707869522.db2.gz QAFITHDONCPQQX-GFCCVEGCSA-N 1 2 338.839 1.250 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)c[nH]c2CC(N)=O)C1 ZINC001033440495 707869524 /nfs/dbraw/zinc/86/95/24/707869524.db2.gz QAFITHDONCPQQX-GFCCVEGCSA-N 1 2 338.839 1.250 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](C)[C@@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001004994223 707878697 /nfs/dbraw/zinc/87/86/97/707878697.db2.gz WLOWOWKGEYQECB-GJZGRUSLSA-N 1 2 330.432 1.593 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(n2)OCCO3)C1 ZINC001033229661 707885090 /nfs/dbraw/zinc/88/50/90/707885090.db2.gz UVMCCNQGENETEQ-LBPRGKRZSA-N 1 2 337.807 1.752 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(n2)OCCO3)C1 ZINC001033229661 707885094 /nfs/dbraw/zinc/88/50/94/707885094.db2.gz UVMCCNQGENETEQ-LBPRGKRZSA-N 1 2 337.807 1.752 20 30 EDEDLO CCn1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)nn1 ZINC001033548215 708178935 /nfs/dbraw/zinc/17/89/35/708178935.db2.gz HGMPTQZAOKHVLD-INIZCTEOSA-N 1 2 338.415 1.516 20 30 EDEDLO CCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)nn1 ZINC001033548215 708178937 /nfs/dbraw/zinc/17/89/37/708178937.db2.gz HGMPTQZAOKHVLD-INIZCTEOSA-N 1 2 338.415 1.516 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001033579131 708257606 /nfs/dbraw/zinc/25/76/06/708257606.db2.gz FMPOZMDOYMGIDM-KGLIPLIRSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCN(C)C2=O)C1 ZINC001033579131 708257608 /nfs/dbraw/zinc/25/76/08/708257608.db2.gz FMPOZMDOYMGIDM-KGLIPLIRSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c(C)nn3cccnc23)C1 ZINC001033673479 708466464 /nfs/dbraw/zinc/46/64/64/708466464.db2.gz FBCZCAMNMHIVAO-ZDUSSCGKSA-N 1 2 333.823 1.937 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)nn3cccnc23)C1 ZINC001033673479 708466465 /nfs/dbraw/zinc/46/64/65/708466465.db2.gz FBCZCAMNMHIVAO-ZDUSSCGKSA-N 1 2 333.823 1.937 20 30 EDEDLO CC#CCCCC(=O)N1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001061043093 708516922 /nfs/dbraw/zinc/51/69/22/708516922.db2.gz KCFSAQXRLZXQPS-UHFFFAOYSA-N 1 2 342.443 1.528 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001033708208 708540862 /nfs/dbraw/zinc/54/08/62/708540862.db2.gz VURMSSYYYBPONP-UYSNPLJNSA-N 1 2 341.883 1.967 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC(NC(C)=O)CC2)C1 ZINC001033708208 708540866 /nfs/dbraw/zinc/54/08/66/708540866.db2.gz VURMSSYYYBPONP-UYSNPLJNSA-N 1 2 341.883 1.967 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001033801140 708793276 /nfs/dbraw/zinc/79/32/76/708793276.db2.gz JQGTVOFEDYHQFI-MRXNPFEDSA-N 1 2 340.431 1.839 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001033801140 708793277 /nfs/dbraw/zinc/79/32/77/708793277.db2.gz JQGTVOFEDYHQFI-MRXNPFEDSA-N 1 2 340.431 1.839 20 30 EDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001061089994 708960990 /nfs/dbraw/zinc/96/09/90/708960990.db2.gz RGLDFCNTAIOZBB-LSDHHAIUSA-N 1 2 344.459 1.861 20 30 EDEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001061089993 708961138 /nfs/dbraw/zinc/96/11/38/708961138.db2.gz RGLDFCNTAIOZBB-HUUCEWRRSA-N 1 2 344.459 1.861 20 30 EDEDLO CC#CCCCC(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001061089765 708974520 /nfs/dbraw/zinc/97/45/20/708974520.db2.gz FMLCZCVPGAUWTA-UHFFFAOYSA-N 1 2 342.443 1.597 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C(N)=O)cn2C)C1 ZINC001033883815 708985799 /nfs/dbraw/zinc/98/57/99/708985799.db2.gz UDCBFFZWOFEUQM-ZDUSSCGKSA-N 1 2 338.839 1.413 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C(N)=O)cn2C)C1 ZINC001033883815 708985801 /nfs/dbraw/zinc/98/58/01/708985801.db2.gz UDCBFFZWOFEUQM-ZDUSSCGKSA-N 1 2 338.839 1.413 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001033933994 709120850 /nfs/dbraw/zinc/12/08/50/709120850.db2.gz MHSYPNQSXOSYIS-LLVKDONJSA-N 1 2 349.822 1.952 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC001033933994 709120852 /nfs/dbraw/zinc/12/08/52/709120852.db2.gz MHSYPNQSXOSYIS-LLVKDONJSA-N 1 2 349.822 1.952 20 30 EDEDLO Cc1nc(CC(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)n[nH]1 ZINC001002776348 709376767 /nfs/dbraw/zinc/37/67/67/709376767.db2.gz VSBCEXNUCAZBQL-UHFFFAOYSA-N 1 2 344.444 1.370 20 30 EDEDLO C#CCCCCC(=O)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001061144673 709381894 /nfs/dbraw/zinc/38/18/94/709381894.db2.gz BDCKGHQNADMWSA-UHFFFAOYSA-N 1 2 342.443 1.597 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001002782506 709388369 /nfs/dbraw/zinc/38/83/69/709388369.db2.gz RFAHQRRMFFNJOV-AWEZNQCLSA-N 1 2 344.459 1.610 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001002782506 709388370 /nfs/dbraw/zinc/38/83/70/709388370.db2.gz RFAHQRRMFFNJOV-AWEZNQCLSA-N 1 2 344.459 1.610 20 30 EDEDLO Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)co1 ZINC001034170744 709483896 /nfs/dbraw/zinc/48/38/96/709483896.db2.gz BDSKOTMISHQESJ-AWEZNQCLSA-N 1 2 327.388 1.967 20 30 EDEDLO Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)co1 ZINC001034170744 709483898 /nfs/dbraw/zinc/48/38/98/709483898.db2.gz BDSKOTMISHQESJ-AWEZNQCLSA-N 1 2 327.388 1.967 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cc(C)no2)CC1 ZINC001005518475 709488347 /nfs/dbraw/zinc/48/83/47/709488347.db2.gz LTXKEBNLIAUDOO-SFHVURJKSA-N 1 2 344.459 1.503 20 30 EDEDLO Cc1cc(N(C)[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c(C#N)cn1 ZINC001061217682 709754485 /nfs/dbraw/zinc/75/44/85/709754485.db2.gz LBDRVNFXGGNQLR-INIZCTEOSA-N 1 2 338.415 1.586 20 30 EDEDLO CN(c1ccnc(C#N)n1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001061245427 709942619 /nfs/dbraw/zinc/94/26/19/709942619.db2.gz USFPEQLSYMKMKT-CQSZACIVSA-N 1 2 339.403 1.062 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nonc2C)C1 ZINC001034439758 710016799 /nfs/dbraw/zinc/01/67/99/710016799.db2.gz PQKLTVIVJMMPRN-ZOBUZTSGSA-N 1 2 348.447 1.830 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nonc2C)C1 ZINC001034439758 710016805 /nfs/dbraw/zinc/01/68/05/710016805.db2.gz PQKLTVIVJMMPRN-ZOBUZTSGSA-N 1 2 348.447 1.830 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 ZINC001034494669 710117487 /nfs/dbraw/zinc/11/74/87/710117487.db2.gz VSVRTLNTYBIOSR-ZDUSSCGKSA-N 1 2 337.855 1.879 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 ZINC001034494669 710117489 /nfs/dbraw/zinc/11/74/89/710117489.db2.gz VSVRTLNTYBIOSR-ZDUSSCGKSA-N 1 2 337.855 1.879 20 30 EDEDLO Cn1nccc1[C@@H](CO)[NH2+]Cc1cc(C#N)ccc1Br ZINC000922177521 710351193 /nfs/dbraw/zinc/35/11/93/710351193.db2.gz IKOPERBBJMVMJJ-CYBMUJFWSA-N 1 2 335.205 1.877 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ncn(C(C)(C)C)n2)CC1 ZINC001003623586 710453258 /nfs/dbraw/zinc/45/32/58/710453258.db2.gz HTNPIFNBKZQLSO-UHFFFAOYSA-N 1 2 325.844 1.980 20 30 EDEDLO C=CCCn1cc(C(=O)NC2CC[NH+](Cc3coc(C)n3)CC2)nn1 ZINC001003765972 710542935 /nfs/dbraw/zinc/54/29/35/710542935.db2.gz BYZRHEQISWZLKP-UHFFFAOYSA-N 1 2 344.419 1.545 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC001003843142 710679978 /nfs/dbraw/zinc/67/99/78/710679978.db2.gz UQYJTXRFYXQWOP-UHFFFAOYSA-N 1 2 327.226 1.441 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922323677 711001659 /nfs/dbraw/zinc/00/16/59/711001659.db2.gz FVBMMOOHUNKOCZ-PMPSAXMXSA-N 1 2 325.453 1.378 20 30 EDEDLO C=C(C)CC[NH+]1CCC(NC(=O)c2cn[nH]c2-c2cnn(C)c2)CC1 ZINC001003941040 711036203 /nfs/dbraw/zinc/03/62/03/711036203.db2.gz SKSMFRVGRZATLS-UHFFFAOYSA-N 1 2 342.447 1.971 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccc3c(c2)C(=O)NC3=O)CC1 ZINC001003998678 711214810 /nfs/dbraw/zinc/21/48/10/711214810.db2.gz ZYKAWBIQXVGXCT-UHFFFAOYSA-N 1 2 347.802 1.517 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(OC)no3)CC2)nc1 ZINC001004004770 711246609 /nfs/dbraw/zinc/24/66/09/711246609.db2.gz QAJHNBLQRJXGDK-UHFFFAOYSA-N 1 2 340.383 1.454 20 30 EDEDLO C=C1CCC(C(=O)NCC2CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC001004114818 711478605 /nfs/dbraw/zinc/47/86/05/711478605.db2.gz XCIVRRGVAZAHLM-UHFFFAOYSA-N 1 2 330.432 1.663 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cnn3c2OCCC3)CC1 ZINC001004478386 711858742 /nfs/dbraw/zinc/85/87/42/711858742.db2.gz VIHUVVCQJUQZBE-INIZCTEOSA-N 1 2 343.431 1.506 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnn3c2OCCC3)CC1 ZINC001004478386 711858743 /nfs/dbraw/zinc/85/87/43/711858743.db2.gz VIHUVVCQJUQZBE-INIZCTEOSA-N 1 2 343.431 1.506 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 ZINC001004483256 711874289 /nfs/dbraw/zinc/87/42/89/711874289.db2.gz GTYUEKFXPVKBGX-HOTGVXAUSA-N 1 2 332.448 1.272 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CCCC(=O)N2)CC1 ZINC001004483256 711874290 /nfs/dbraw/zinc/87/42/90/711874290.db2.gz GTYUEKFXPVKBGX-HOTGVXAUSA-N 1 2 332.448 1.272 20 30 EDEDLO C#CCOCCC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186622717 711893416 /nfs/dbraw/zinc/89/34/16/711893416.db2.gz GLKGXUPNPNLHCL-UHFFFAOYSA-N 1 2 343.427 1.329 20 30 EDEDLO C[C@@]1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CCC(=O)NC1 ZINC001004520711 711919798 /nfs/dbraw/zinc/91/97/98/711919798.db2.gz IOWBEHGFSJXPAN-MAUKXSAKSA-N 1 2 332.448 1.129 20 30 EDEDLO C[C@@]1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CCC(=O)NC1 ZINC001004520711 711919799 /nfs/dbraw/zinc/91/97/99/711919799.db2.gz IOWBEHGFSJXPAN-MAUKXSAKSA-N 1 2 332.448 1.129 20 30 EDEDLO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000328830883 539371074 /nfs/dbraw/zinc/37/10/74/539371074.db2.gz KAYBZTSRHNRSFW-STQMWFEESA-N 1 2 329.466 1.223 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](F)C[C@H]1CO)C1CCOCC1 ZINC000329343834 539430956 /nfs/dbraw/zinc/43/09/56/539430956.db2.gz QGSYUPGHCHBSSV-HZSPNIEDSA-N 1 2 340.399 1.207 20 30 EDEDLO CN1C(=O)c2ccc(NC(=O)C[NH2+][C@H]3CCC[C@@H]3C#N)cc2C1=O ZINC000333678652 539641696 /nfs/dbraw/zinc/64/16/96/539641696.db2.gz ZKRZITFEAQMLRP-YGRLFVJLSA-N 1 2 326.356 1.133 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000563258493 306325007 /nfs/dbraw/zinc/32/50/07/306325007.db2.gz SHHZDCYZFNFPAV-GFCCVEGCSA-N 1 2 349.818 1.826 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000563258493 306325008 /nfs/dbraw/zinc/32/50/08/306325008.db2.gz SHHZDCYZFNFPAV-GFCCVEGCSA-N 1 2 349.818 1.826 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1Cl ZINC000048598895 138127269 /nfs/dbraw/zinc/12/72/69/138127269.db2.gz POLHTBYWWKORJB-UHFFFAOYSA-N 1 2 331.763 1.553 20 30 EDEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000117870649 202036672 /nfs/dbraw/zinc/03/66/72/202036672.db2.gz ONBICMNAVIDLMA-UHFFFAOYSA-N 1 2 339.417 1.867 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)N[C@@H](CC)CC#N)[C@@H]1c1c[nH+]cn1C ZINC000373573920 283311438 /nfs/dbraw/zinc/31/14/38/283311438.db2.gz GRSQANKNCFIIJX-JJRVBVJISA-N 1 2 345.447 1.918 20 30 EDEDLO COCc1noc(CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000189617739 237076696 /nfs/dbraw/zinc/07/66/96/237076696.db2.gz NOIGVBKLQDYBPI-AWEZNQCLSA-N 1 2 341.415 1.966 20 30 EDEDLO COCc1noc(CN2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000189636378 237094803 /nfs/dbraw/zinc/09/48/03/237094803.db2.gz JOAFRHMAQWINMA-UHFFFAOYSA-N 1 2 345.378 1.545 20 30 EDEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)Cc1cccs1 ZINC000032775516 201072777 /nfs/dbraw/zinc/07/27/77/201072777.db2.gz HHLZAJSVIHVXSI-GFCCVEGCSA-N 1 2 325.434 1.597 20 30 EDEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)Cc1cccs1 ZINC000032775516 201072780 /nfs/dbraw/zinc/07/27/80/201072780.db2.gz HHLZAJSVIHVXSI-GFCCVEGCSA-N 1 2 325.434 1.597 20 30 EDEDLO CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000054389967 201131425 /nfs/dbraw/zinc/13/14/25/201131425.db2.gz WGHIFVCMJAWMJH-IBGZPJMESA-N 1 2 340.427 1.812 20 30 EDEDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000054389967 201131427 /nfs/dbraw/zinc/13/14/27/201131427.db2.gz WGHIFVCMJAWMJH-IBGZPJMESA-N 1 2 340.427 1.812 20 30 EDEDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000565585129 306387091 /nfs/dbraw/zinc/38/70/91/306387091.db2.gz LKZNLFHPXLLWNH-IDCJVQTKSA-N 1 2 327.428 1.887 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000273490722 201257838 /nfs/dbraw/zinc/25/78/38/201257838.db2.gz SJNNQUWJXGPZDM-HUUCEWRRSA-N 1 2 332.379 1.885 20 30 EDEDLO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000278817404 201311078 /nfs/dbraw/zinc/31/10/78/201311078.db2.gz HGPSVZGDOILISG-QGZVFWFLSA-N 1 2 336.432 1.677 20 30 EDEDLO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000278817404 201311082 /nfs/dbraw/zinc/31/10/82/201311082.db2.gz HGPSVZGDOILISG-QGZVFWFLSA-N 1 2 336.432 1.677 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000278779075 201316838 /nfs/dbraw/zinc/31/68/38/201316838.db2.gz HHCMTVCWIJLZSB-LJQANCHMSA-N 1 2 348.443 1.341 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000077393205 203385718 /nfs/dbraw/zinc/38/57/18/203385718.db2.gz UBDUSRWMURCCSQ-CYBMUJFWSA-N 1 2 337.445 1.113 20 30 EDEDLO N#Cc1csc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000567284563 306445658 /nfs/dbraw/zinc/44/56/58/306445658.db2.gz QSOFSXVIRLZBAA-LBPRGKRZSA-N 1 2 348.453 1.568 20 30 EDEDLO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000111635955 220173561 /nfs/dbraw/zinc/17/35/61/220173561.db2.gz UPOTYNQRGPNDPK-GFCCVEGCSA-N 1 2 334.445 1.573 20 30 EDEDLO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000111635955 220173565 /nfs/dbraw/zinc/17/35/65/220173565.db2.gz UPOTYNQRGPNDPK-GFCCVEGCSA-N 1 2 334.445 1.573 20 30 EDEDLO N#CCN1CCC[C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000267253303 249357389 /nfs/dbraw/zinc/35/73/89/249357389.db2.gz ZNJHROQFMLETBD-KRWDZBQOSA-N 1 2 337.427 1.897 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000342765595 250009335 /nfs/dbraw/zinc/00/93/35/250009335.db2.gz OXMAJLIFZCIXLG-HNNXBMFYSA-N 1 2 326.444 1.537 20 30 EDEDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248746380 139174060 /nfs/dbraw/zinc/17/40/60/139174060.db2.gz NGXFXYGZNHCMHR-DLBZAZTESA-N 1 2 340.427 1.510 20 30 EDEDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248746380 139174061 /nfs/dbraw/zinc/17/40/61/139174061.db2.gz NGXFXYGZNHCMHR-DLBZAZTESA-N 1 2 340.427 1.510 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000352239231 250075894 /nfs/dbraw/zinc/07/58/94/250075894.db2.gz TZCXFNVOXIVZOU-AWEZNQCLSA-N 1 2 325.453 1.074 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000352239231 250075898 /nfs/dbraw/zinc/07/58/98/250075898.db2.gz TZCXFNVOXIVZOU-AWEZNQCLSA-N 1 2 325.453 1.074 20 30 EDEDLO C=CCOc1ccccc1C[NH+]1CC(n2cc(C(=O)OC)nn2)C1 ZINC000355065332 250104256 /nfs/dbraw/zinc/10/42/56/250104256.db2.gz ZDOWYGLBAHKPDL-UHFFFAOYSA-N 1 2 328.372 1.686 20 30 EDEDLO C=CCSCCNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000355304588 250112251 /nfs/dbraw/zinc/11/22/51/250112251.db2.gz XNCCMLKQTXOPCL-UHFFFAOYSA-N 1 2 336.461 1.213 20 30 EDEDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000356444593 250125533 /nfs/dbraw/zinc/12/55/33/250125533.db2.gz BOUZLBYTSVXPJF-KRWDZBQOSA-N 1 2 327.428 1.929 20 30 EDEDLO Cc1ncccc1O[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000375967242 250282517 /nfs/dbraw/zinc/28/25/17/250282517.db2.gz HGGCRRZROPWOLW-YJBOKZPZSA-N 1 2 330.432 1.898 20 30 EDEDLO Cc1ncccc1O[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000375967242 250282523 /nfs/dbraw/zinc/28/25/23/250282523.db2.gz HGGCRRZROPWOLW-YJBOKZPZSA-N 1 2 330.432 1.898 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1=O ZINC000374064642 250251658 /nfs/dbraw/zinc/25/16/58/250251658.db2.gz YCKLAAROCSEUIL-IAGOWNOFSA-N 1 2 342.443 1.291 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1=O ZINC000374064642 250251661 /nfs/dbraw/zinc/25/16/61/250251661.db2.gz YCKLAAROCSEUIL-IAGOWNOFSA-N 1 2 342.443 1.291 20 30 EDEDLO C#CCC(CC#C)C(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000377321336 250289425 /nfs/dbraw/zinc/28/94/25/250289425.db2.gz GDJUCQSUGATORK-KRWDZBQOSA-N 1 2 342.443 1.854 20 30 EDEDLO C#CCC(CC#C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000377321336 250289429 /nfs/dbraw/zinc/28/94/29/250289429.db2.gz GDJUCQSUGATORK-KRWDZBQOSA-N 1 2 342.443 1.854 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377681067 250291238 /nfs/dbraw/zinc/29/12/38/250291238.db2.gz QSAKRZOAUYSVCW-HYVNUMGLSA-N 1 2 349.500 1.666 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000377681067 250291241 /nfs/dbraw/zinc/29/12/41/250291241.db2.gz QSAKRZOAUYSVCW-HYVNUMGLSA-N 1 2 349.500 1.666 20 30 EDEDLO C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378003871 250295314 /nfs/dbraw/zinc/29/53/14/250295314.db2.gz SDKAFCBWGNERDQ-LBPRGKRZSA-N 1 2 338.367 1.034 20 30 EDEDLO C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378003871 250295318 /nfs/dbraw/zinc/29/53/18/250295318.db2.gz SDKAFCBWGNERDQ-LBPRGKRZSA-N 1 2 338.367 1.034 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000175121399 207095527 /nfs/dbraw/zinc/09/55/27/207095527.db2.gz ZPBJWGBICJSSMS-QGZVFWFLSA-N 1 2 342.443 1.761 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000175121399 207095531 /nfs/dbraw/zinc/09/55/31/207095531.db2.gz ZPBJWGBICJSSMS-QGZVFWFLSA-N 1 2 342.443 1.761 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2cccc(C)c2)CC1 ZINC000490616961 255094994 /nfs/dbraw/zinc/09/49/94/255094994.db2.gz NDFHZXZSRFEMME-HJWRWDBZSA-N 1 2 339.439 1.292 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2cccc(C)c2)CC1 ZINC000490616961 255094996 /nfs/dbraw/zinc/09/49/96/255094996.db2.gz NDFHZXZSRFEMME-HJWRWDBZSA-N 1 2 339.439 1.292 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000491542797 255129879 /nfs/dbraw/zinc/12/98/79/255129879.db2.gz CDPUKVOXEVUCQQ-UHFFFAOYSA-N 1 2 334.383 1.759 20 30 EDEDLO C#CCN(CC#CC)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000490700762 255100800 /nfs/dbraw/zinc/10/08/00/255100800.db2.gz UOCGOVLZAPHEBG-UHFFFAOYSA-N 1 2 326.400 1.086 20 30 EDEDLO C#CCN1CCN(C(=O)CO[NH+]=C(N)Cc2ccccc2Cl)CC1 ZINC000490781098 255107004 /nfs/dbraw/zinc/10/70/04/255107004.db2.gz WBLFUGWZEVVEHU-UHFFFAOYSA-N 1 2 348.834 1.158 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(C)cc3)c(C)cc2=O)CC1 ZINC000491712402 255144989 /nfs/dbraw/zinc/14/49/89/255144989.db2.gz XYXKWWLIZNJUJR-UHFFFAOYSA-N 1 2 336.439 1.735 20 30 EDEDLO C=CC[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000492256483 255165742 /nfs/dbraw/zinc/16/57/42/255165742.db2.gz GAJPNBAIBFPKIO-OLZOCXBDSA-N 1 2 332.466 1.575 20 30 EDEDLO C=CC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000492256483 255165743 /nfs/dbraw/zinc/16/57/43/255165743.db2.gz GAJPNBAIBFPKIO-OLZOCXBDSA-N 1 2 332.466 1.575 20 30 EDEDLO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cn1cccc(C#N)c1=O ZINC000495191428 255271996 /nfs/dbraw/zinc/27/19/96/255271996.db2.gz RBJCZHAJWDALKQ-KGLIPLIRSA-N 1 2 346.431 1.913 20 30 EDEDLO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cn1cccc(C#N)c1=O ZINC000495191428 255271997 /nfs/dbraw/zinc/27/19/97/255271997.db2.gz RBJCZHAJWDALKQ-KGLIPLIRSA-N 1 2 346.431 1.913 20 30 EDEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000495198186 255272683 /nfs/dbraw/zinc/27/26/83/255272683.db2.gz ZNNCWZRRQPMXTR-DOTOQJQBSA-N 1 2 331.416 1.241 20 30 EDEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000495198186 255272684 /nfs/dbraw/zinc/27/26/84/255272684.db2.gz ZNNCWZRRQPMXTR-DOTOQJQBSA-N 1 2 331.416 1.241 20 30 EDEDLO C[N@@H+]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000494743094 255260453 /nfs/dbraw/zinc/26/04/53/255260453.db2.gz VQXUSVAUTJUWEG-CQSZACIVSA-N 1 2 347.419 1.167 20 30 EDEDLO C[N@H+]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000494743094 255260454 /nfs/dbraw/zinc/26/04/54/255260454.db2.gz VQXUSVAUTJUWEG-CQSZACIVSA-N 1 2 347.419 1.167 20 30 EDEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(Cc2ccon2)CC1 ZINC000173934853 533503957 /nfs/dbraw/zinc/50/39/57/533503957.db2.gz ADIUFQYOMSBTSD-UHFFFAOYSA-N 1 2 342.399 1.751 20 30 EDEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cn[nH]c1 ZINC000270323187 140079746 /nfs/dbraw/zinc/07/97/46/140079746.db2.gz RONYSBIIGVEPQN-AWEZNQCLSA-N 1 2 338.415 1.870 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c[nH]1 ZINC000271046169 140226406 /nfs/dbraw/zinc/22/64/06/140226406.db2.gz RBHGHARQXACGKU-UHFFFAOYSA-N 1 2 338.411 1.991 20 30 EDEDLO Cc1cc(N2CCC(S(=O)(=O)N3CCCC3)CC2)c(C#N)c[nH+]1 ZINC000333459882 141320688 /nfs/dbraw/zinc/32/06/88/141320688.db2.gz LKGCKQAUJCXJFP-UHFFFAOYSA-N 1 2 334.445 1.656 20 30 EDEDLO CO[C@H]1C[C@H](c2nnc[nH]2)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000344663344 142996030 /nfs/dbraw/zinc/99/60/30/142996030.db2.gz WDVOXEBUQCCTMR-LSDHHAIUSA-N 1 2 340.387 1.467 20 30 EDEDLO CO[C@H]1C[C@H](c2nnc[nH]2)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000344663344 142996031 /nfs/dbraw/zinc/99/60/31/142996031.db2.gz WDVOXEBUQCCTMR-LSDHHAIUSA-N 1 2 340.387 1.467 20 30 EDEDLO Cn1ncc(C(=O)N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)c1C#N ZINC000344804550 143013767 /nfs/dbraw/zinc/01/37/67/143013767.db2.gz PRXZXCUMYOBQDN-HNNXBMFYSA-N 1 2 338.415 1.881 20 30 EDEDLO N#Cc1ccncc1C(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000345435467 143090905 /nfs/dbraw/zinc/09/09/05/143090905.db2.gz QKOIMKPDHPEVPJ-RBUKOAKNSA-N 1 2 348.406 1.679 20 30 EDEDLO N#Cc1ccncc1C(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000345435467 143090906 /nfs/dbraw/zinc/09/09/06/143090906.db2.gz QKOIMKPDHPEVPJ-RBUKOAKNSA-N 1 2 348.406 1.679 20 30 EDEDLO COc1ccccc1N1CC[C@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000352823889 149181672 /nfs/dbraw/zinc/18/16/72/149181672.db2.gz OXQOVVPEVPFYDK-LBPRGKRZSA-N 1 2 328.397 1.918 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000353030584 149260460 /nfs/dbraw/zinc/26/04/60/149260460.db2.gz SLXRRHIVCHJEEC-ZDUSSCGKSA-N 1 2 344.383 1.893 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000353030584 149260466 /nfs/dbraw/zinc/26/04/66/149260466.db2.gz SLXRRHIVCHJEEC-ZDUSSCGKSA-N 1 2 344.383 1.893 20 30 EDEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355064237 150099629 /nfs/dbraw/zinc/09/96/29/150099629.db2.gz IBWLPCRIENERMU-QAPCUYQASA-N 1 2 345.443 1.799 20 30 EDEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355064237 150099630 /nfs/dbraw/zinc/09/96/30/150099630.db2.gz IBWLPCRIENERMU-QAPCUYQASA-N 1 2 345.443 1.799 20 30 EDEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cccnc3C#N)CC2)C1 ZINC000357235047 150965356 /nfs/dbraw/zinc/96/53/56/150965356.db2.gz PZGQDZUQQOZGDX-CVEARBPZSA-N 1 2 341.459 1.770 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357753527 151138867 /nfs/dbraw/zinc/13/88/67/151138867.db2.gz LRDJVYFFBGCICF-AWEZNQCLSA-N 1 2 338.415 1.426 20 30 EDEDLO C[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)c1cccc(C#N)c1 ZINC000360329514 151998004 /nfs/dbraw/zinc/99/80/04/151998004.db2.gz STACURQKCWLZHS-RLFYNMQTSA-N 1 2 327.428 1.841 20 30 EDEDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2 ZINC000361198811 152332828 /nfs/dbraw/zinc/33/28/28/152332828.db2.gz NCGYDRAELLHQEB-UHFFFAOYSA-N 1 2 348.366 1.260 20 30 EDEDLO Cn1nc2c(cc1=O)C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2 ZINC000361198811 152332830 /nfs/dbraw/zinc/33/28/30/152332830.db2.gz NCGYDRAELLHQEB-UHFFFAOYSA-N 1 2 348.366 1.260 20 30 EDEDLO N#Cc1cccc([C@H]2CN(C(=O)NCCCn3cc[nH+]c3)CCO2)c1 ZINC000367082440 154003348 /nfs/dbraw/zinc/00/33/48/154003348.db2.gz WFBKCPSLIDLKJS-QGZVFWFLSA-N 1 2 339.399 1.928 20 30 EDEDLO N#Cc1ccc(C2=CCN(C(=O)NCC[NH+]3CCOCC3)CC2)cc1 ZINC000367302215 154071941 /nfs/dbraw/zinc/07/19/41/154071941.db2.gz FJWNZJITFMETKB-UHFFFAOYSA-N 1 2 340.427 1.689 20 30 EDEDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)nn1 ZINC000371841271 156133720 /nfs/dbraw/zinc/13/37/20/156133720.db2.gz QIQZXFCIGZJFNM-AWEZNQCLSA-N 1 2 329.335 1.522 20 30 EDEDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)nn1 ZINC000371841271 156133724 /nfs/dbraw/zinc/13/37/24/156133724.db2.gz QIQZXFCIGZJFNM-AWEZNQCLSA-N 1 2 329.335 1.522 20 30 EDEDLO CC(C)OC[C@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000372129575 156234039 /nfs/dbraw/zinc/23/40/39/156234039.db2.gz YCQCBRZIGISYAQ-FUHWJXTLSA-N 1 2 334.416 1.424 20 30 EDEDLO CC(C)OC[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000372129575 156234042 /nfs/dbraw/zinc/23/40/42/156234042.db2.gz YCQCBRZIGISYAQ-FUHWJXTLSA-N 1 2 334.416 1.424 20 30 EDEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000372176297 156257677 /nfs/dbraw/zinc/25/76/77/156257677.db2.gz QYKRBYQFPOLBJR-QGZVFWFLSA-N 1 2 337.427 1.917 20 30 EDEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000372176297 156257681 /nfs/dbraw/zinc/25/76/81/156257681.db2.gz QYKRBYQFPOLBJR-QGZVFWFLSA-N 1 2 337.427 1.917 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000372179350 156259216 /nfs/dbraw/zinc/25/92/16/156259216.db2.gz GLAFGJHAICBKFX-KRWDZBQOSA-N 1 2 340.427 1.293 20 30 EDEDLO N#Cc1cc2c(nc1NC[C@@]1([NH+]3CCOCC3)CCCOC1)CCC2 ZINC000378149252 158092791 /nfs/dbraw/zinc/09/27/91/158092791.db2.gz JJWKYPDICRLICE-IBGZPJMESA-N 1 2 342.443 1.735 20 30 EDEDLO C[C@@H]([NH2+][C@H](C)c1nncn1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000494790573 287063996 /nfs/dbraw/zinc/06/39/96/287063996.db2.gz AGBZBWBZLUGVPM-CHWSQXEVSA-N 1 2 344.394 1.940 20 30 EDEDLO N#Cc1cccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000077836490 287291444 /nfs/dbraw/zinc/29/14/44/287291444.db2.gz JHNHEJGSWDMDGR-UHFFFAOYSA-N 1 2 337.383 1.900 20 30 EDEDLO CCOC(=O)N(C)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115540784 287344827 /nfs/dbraw/zinc/34/48/27/287344827.db2.gz ULMIEFMQWMILOQ-INIZCTEOSA-N 1 2 344.415 1.637 20 30 EDEDLO COCCCOC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000122788056 222158149 /nfs/dbraw/zinc/15/81/49/222158149.db2.gz MMIGQQQLXWIZEO-KRWDZBQOSA-N 1 2 331.416 1.602 20 30 EDEDLO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C)[S@@]1=O ZINC000285798971 266380234 /nfs/dbraw/zinc/38/02/34/266380234.db2.gz FRYRWBUVEXDVDT-GTBWCPHDSA-N 1 2 336.457 1.529 20 30 EDEDLO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H](C)[S@@]1=O ZINC000285798971 266380237 /nfs/dbraw/zinc/38/02/37/266380237.db2.gz FRYRWBUVEXDVDT-GTBWCPHDSA-N 1 2 336.457 1.529 20 30 EDEDLO COc1cc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1C#N ZINC000282397357 266811742 /nfs/dbraw/zinc/81/17/42/266811742.db2.gz RKSALIPYTCJGPC-MRXNPFEDSA-N 1 2 329.400 1.390 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CCO2 ZINC000280449921 267247117 /nfs/dbraw/zinc/24/71/17/267247117.db2.gz NPHZEQYMPTWRMI-FZKQIMNGSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)CCO2 ZINC000280449921 267247118 /nfs/dbraw/zinc/24/71/18/267247118.db2.gz NPHZEQYMPTWRMI-FZKQIMNGSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292375499 267253650 /nfs/dbraw/zinc/25/36/50/267253650.db2.gz YWNSLTANUYBYKZ-MAUKXSAKSA-N 1 2 339.399 1.215 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292375499 267253651 /nfs/dbraw/zinc/25/36/51/267253651.db2.gz YWNSLTANUYBYKZ-MAUKXSAKSA-N 1 2 339.399 1.215 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000448810663 267283185 /nfs/dbraw/zinc/28/31/85/267283185.db2.gz IUNMBWNFGRLLCJ-UHFFFAOYSA-N 1 2 342.403 1.541 20 30 EDEDLO Cc1c(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1C ZINC000292273758 267291417 /nfs/dbraw/zinc/29/14/17/267291417.db2.gz OBHSTMWOLOZUOH-UHFFFAOYSA-N 1 2 337.427 1.487 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1cc(C#N)ncn1 ZINC000530478330 267307302 /nfs/dbraw/zinc/30/73/02/267307302.db2.gz XJGWBUUDNFYFNX-WFASDCNBSA-N 1 2 329.383 1.131 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1cc(C#N)ncn1 ZINC000530478330 267307304 /nfs/dbraw/zinc/30/73/04/267307304.db2.gz XJGWBUUDNFYFNX-WFASDCNBSA-N 1 2 329.383 1.131 20 30 EDEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000301787493 267329754 /nfs/dbraw/zinc/32/97/54/267329754.db2.gz PXNIJBHCGYJDIM-LBPRGKRZSA-N 1 2 341.390 1.550 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c(C#N)c1C ZINC000425547975 268104202 /nfs/dbraw/zinc/10/42/02/268104202.db2.gz MSVVQUCUMOKPQU-CMPLNLGQSA-N 1 2 328.376 1.703 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c(C#N)c1C ZINC000425547975 268104204 /nfs/dbraw/zinc/10/42/04/268104204.db2.gz MSVVQUCUMOKPQU-CMPLNLGQSA-N 1 2 328.376 1.703 20 30 EDEDLO N#Cc1cccc(CNC(=O)C(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000283526661 268250154 /nfs/dbraw/zinc/25/01/54/268250154.db2.gz CWVBCDJNGZCIAG-UHFFFAOYSA-N 1 2 337.383 1.024 20 30 EDEDLO N#Cc1ccccc1N1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000284143267 268277004 /nfs/dbraw/zinc/27/70/04/268277004.db2.gz OXOAGNMUAGBRNX-OAHLLOKOSA-N 1 2 333.457 1.505 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000528497549 268296532 /nfs/dbraw/zinc/29/65/32/268296532.db2.gz RSKMSUBNJVKFHL-KBPBESRZSA-N 1 2 344.371 1.266 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000528497549 268296534 /nfs/dbraw/zinc/29/65/34/268296534.db2.gz RSKMSUBNJVKFHL-KBPBESRZSA-N 1 2 344.371 1.266 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000528504780 268300456 /nfs/dbraw/zinc/30/04/56/268300456.db2.gz QNYCKGXUMNTBFL-UONOGXRCSA-N 1 2 343.387 1.001 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000528504780 268300457 /nfs/dbraw/zinc/30/04/57/268300457.db2.gz QNYCKGXUMNTBFL-UONOGXRCSA-N 1 2 343.387 1.001 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000275647559 268368369 /nfs/dbraw/zinc/36/83/69/268368369.db2.gz KJYWKFHZPYBPAM-GFCCVEGCSA-N 1 2 326.379 1.780 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000275647559 268368370 /nfs/dbraw/zinc/36/83/70/268368370.db2.gz KJYWKFHZPYBPAM-GFCCVEGCSA-N 1 2 326.379 1.780 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)s1 ZINC000279463368 273299613 /nfs/dbraw/zinc/29/96/13/273299613.db2.gz RIJLBSALOCXLIF-GFCCVEGCSA-N 1 2 325.459 1.620 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)s1 ZINC000279463368 273299615 /nfs/dbraw/zinc/29/96/15/273299615.db2.gz RIJLBSALOCXLIF-GFCCVEGCSA-N 1 2 325.459 1.620 20 30 EDEDLO C[N@@H+]1CCc2ncnc(N3CCC(C#N)(c4ccccn4)CC3)c2C1 ZINC000374495081 277189366 /nfs/dbraw/zinc/18/93/66/277189366.db2.gz HBZSKPXMPYXUQF-UHFFFAOYSA-N 1 2 334.427 1.921 20 30 EDEDLO C[N@H+]1CCc2ncnc(N3CCC(C#N)(c4ccccn4)CC3)c2C1 ZINC000374495081 277189368 /nfs/dbraw/zinc/18/93/68/277189368.db2.gz HBZSKPXMPYXUQF-UHFFFAOYSA-N 1 2 334.427 1.921 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000103143240 303182958 /nfs/dbraw/zinc/18/29/58/303182958.db2.gz YBOWKLOBCRMEQM-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000103143240 303182960 /nfs/dbraw/zinc/18/29/60/303182960.db2.gz YBOWKLOBCRMEQM-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(Cc2c[nH+]cn2C)no1 ZINC000547257913 306097169 /nfs/dbraw/zinc/09/71/69/306097169.db2.gz BLMUIZAJPKZRRA-UHFFFAOYSA-N 1 2 338.371 1.768 20 30 EDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000449885701 447408128 /nfs/dbraw/zinc/40/81/28/447408128.db2.gz UEELMWATCCRPKX-JTDSTZFVSA-N 1 2 343.427 1.120 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000378272888 447412403 /nfs/dbraw/zinc/41/24/03/447412403.db2.gz ZDVBMONIRHFXMZ-CQSZACIVSA-N 1 2 337.383 1.441 20 30 EDEDLO C=CCC[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(=O)OCC ZINC000456612247 447423380 /nfs/dbraw/zinc/42/33/80/447423380.db2.gz RVCROIROJLBPAJ-JKSUJKDBSA-N 1 2 338.448 1.644 20 30 EDEDLO C=CCC[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(=O)OCC ZINC000456612247 447423386 /nfs/dbraw/zinc/42/33/86/447423386.db2.gz RVCROIROJLBPAJ-JKSUJKDBSA-N 1 2 338.448 1.644 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3cccnc3)n(C)c2=S)CC1 ZINC000044756505 440885323 /nfs/dbraw/zinc/88/53/23/440885323.db2.gz YOWHRGMVUUPBLE-UHFFFAOYSA-N 1 2 328.445 1.221 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3F)n(C)c2=S)CC1 ZINC000044756509 440885572 /nfs/dbraw/zinc/88/55/72/440885572.db2.gz SJISRZFBWVWTGC-UHFFFAOYSA-N 1 2 345.447 1.965 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CCC(O)CC3)CC2)cc1 ZINC000045548961 441001153 /nfs/dbraw/zinc/00/11/53/441001153.db2.gz VSAUENMYTOTOBV-UHFFFAOYSA-N 1 2 342.443 1.689 20 30 EDEDLO N#CC1CC[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000057907447 441142846 /nfs/dbraw/zinc/14/28/46/441142846.db2.gz HXFHXGCMOKHQOG-UHFFFAOYSA-N 1 2 344.371 1.341 20 30 EDEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(CC(F)F)CC2)cc1 ZINC000057914823 441143306 /nfs/dbraw/zinc/14/33/06/441143306.db2.gz VHGKOKUUHNOIKC-AWEZNQCLSA-N 1 2 325.359 1.181 20 30 EDEDLO Cc1cnn(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000080199022 441149427 /nfs/dbraw/zinc/14/94/27/441149427.db2.gz MJIOOYYFTCGOJM-UHFFFAOYSA-N 1 2 337.427 1.798 20 30 EDEDLO Cc1c(CN(CCC#N)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000081158007 441237555 /nfs/dbraw/zinc/23/75/55/441237555.db2.gz YCNLTLWGXINPER-UHFFFAOYSA-N 1 2 332.404 1.951 20 30 EDEDLO C[C@@H]1CCCN(C(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000023258755 441292762 /nfs/dbraw/zinc/29/27/62/441292762.db2.gz GPEZCUGALYMYNU-QGZVFWFLSA-N 1 2 340.471 1.934 20 30 EDEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000023258755 441292765 /nfs/dbraw/zinc/29/27/65/441292765.db2.gz GPEZCUGALYMYNU-QGZVFWFLSA-N 1 2 340.471 1.934 20 30 EDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000064795583 441392604 /nfs/dbraw/zinc/39/26/04/441392604.db2.gz PUGFYWRIOHTQOT-LSDHHAIUSA-N 1 2 330.432 1.521 20 30 EDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000064795583 441392607 /nfs/dbraw/zinc/39/26/07/441392607.db2.gz PUGFYWRIOHTQOT-LSDHHAIUSA-N 1 2 330.432 1.521 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000074127831 441397552 /nfs/dbraw/zinc/39/75/52/441397552.db2.gz UDGMPUCEDALQJA-INIZCTEOSA-N 1 2 346.406 1.704 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)CCCCC)CC1 ZINC000084599663 441409492 /nfs/dbraw/zinc/40/94/92/441409492.db2.gz ZBMUKSPQMQRAIX-UHFFFAOYSA-N 1 2 335.492 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)CCCCC)CC1 ZINC000084599663 441409493 /nfs/dbraw/zinc/40/94/93/441409493.db2.gz ZBMUKSPQMQRAIX-UHFFFAOYSA-N 1 2 335.492 1.877 20 30 EDEDLO CC[C@H](C)NC(=O)CN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000051422963 441410551 /nfs/dbraw/zinc/41/05/51/441410551.db2.gz HZGLNQLJCBCASB-INIZCTEOSA-N 1 2 344.459 1.469 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2noc(-c3ccccc3)n2)CC1 ZINC000053423671 441521196 /nfs/dbraw/zinc/52/11/96/441521196.db2.gz LOIJVLYACMNCOQ-UHFFFAOYSA-N 1 2 341.415 1.156 20 30 EDEDLO COCCC[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000066379465 441527017 /nfs/dbraw/zinc/52/70/17/441527017.db2.gz XHDRVDGZOVDVHZ-CYBMUJFWSA-N 1 2 328.372 1.480 20 30 EDEDLO COCCC[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000066379465 441527021 /nfs/dbraw/zinc/52/70/21/441527021.db2.gz XHDRVDGZOVDVHZ-CYBMUJFWSA-N 1 2 328.372 1.480 20 30 EDEDLO C#CCN(Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066539338 441542622 /nfs/dbraw/zinc/54/26/22/441542622.db2.gz FWUVVHXKZMDXEA-KRWDZBQOSA-N 1 2 329.425 1.495 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000076427749 441645372 /nfs/dbraw/zinc/64/53/72/441645372.db2.gz HDMQYFOKATXVEV-HNNXBMFYSA-N 1 2 332.423 1.956 20 30 EDEDLO CC(C)N1CC[C@H]([NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1=O ZINC000121498114 441718294 /nfs/dbraw/zinc/71/82/94/441718294.db2.gz ZCCFDIMZQAAIBS-ZWKOTPCHSA-N 1 2 326.444 1.878 20 30 EDEDLO CCN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354554 441728016 /nfs/dbraw/zinc/72/80/16/441728016.db2.gz PCWWRCFCKWZREI-INIZCTEOSA-N 1 2 328.460 1.933 20 30 EDEDLO CCN(CC)C(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354554 441728023 /nfs/dbraw/zinc/72/80/23/441728023.db2.gz PCWWRCFCKWZREI-INIZCTEOSA-N 1 2 328.460 1.933 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000138995860 441802247 /nfs/dbraw/zinc/80/22/47/441802247.db2.gz DSQFPOMGBXNSHR-BBRMVZONSA-N 1 2 341.415 1.375 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000138995860 441802253 /nfs/dbraw/zinc/80/22/53/441802253.db2.gz DSQFPOMGBXNSHR-BBRMVZONSA-N 1 2 341.415 1.375 20 30 EDEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000092793503 441827895 /nfs/dbraw/zinc/82/78/95/441827895.db2.gz PSVNMDBVRRDPEZ-INIZCTEOSA-N 1 2 329.400 1.348 20 30 EDEDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)N(C)CCC#N ZINC000092793503 441827899 /nfs/dbraw/zinc/82/78/99/441827899.db2.gz PSVNMDBVRRDPEZ-INIZCTEOSA-N 1 2 329.400 1.348 20 30 EDEDLO N#Cc1ccc(CN2CCN(C(=O)NCCn3cc[nH+]c3)CC2)cc1 ZINC000043311972 441833420 /nfs/dbraw/zinc/83/34/20/441833420.db2.gz SFQDURONAMBTRZ-UHFFFAOYSA-N 1 2 338.415 1.282 20 30 EDEDLO COc1cncc(N2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)n1 ZINC000093477384 441888733 /nfs/dbraw/zinc/88/87/33/441888733.db2.gz YMQNTJSULFNKBN-UHFFFAOYSA-N 1 2 349.398 1.327 20 30 EDEDLO COc1cncc(N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)n1 ZINC000093477384 441888738 /nfs/dbraw/zinc/88/87/38/441888738.db2.gz YMQNTJSULFNKBN-UHFFFAOYSA-N 1 2 349.398 1.327 20 30 EDEDLO C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119408621 441933616 /nfs/dbraw/zinc/93/36/16/441933616.db2.gz FFEGZQHPQYEQMI-LBPRGKRZSA-N 1 2 332.404 1.246 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1cc(F)ccc1Br ZINC000078639881 441957624 /nfs/dbraw/zinc/95/76/24/441957624.db2.gz WJDJFCSLJLBALO-UHFFFAOYSA-N 1 2 346.200 1.709 20 30 EDEDLO CCCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078655423 441958991 /nfs/dbraw/zinc/95/89/91/441958991.db2.gz XDVVANLSBMCNTD-OAHLLOKOSA-N 1 2 329.448 1.770 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000069607039 441987924 /nfs/dbraw/zinc/98/79/24/441987924.db2.gz SXLRCPJADVJYHO-UHFFFAOYSA-N 1 2 343.431 1.495 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000069607039 441987931 /nfs/dbraw/zinc/98/79/31/441987931.db2.gz SXLRCPJADVJYHO-UHFFFAOYSA-N 1 2 343.431 1.495 20 30 EDEDLO Cc1cccc([C@@H](CNC(=O)c2cc(C#N)c[nH]2)[NH+]2CCOCC2)c1 ZINC000175283399 442033310 /nfs/dbraw/zinc/03/33/10/442033310.db2.gz ZLZLAEKBCPXGDB-GOSISDBHSA-N 1 2 338.411 1.998 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)cc1 ZINC000079298342 442036429 /nfs/dbraw/zinc/03/64/29/442036429.db2.gz GLZOLGKUZOCFBV-KRWDZBQOSA-N 1 2 349.438 1.731 20 30 EDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000125879440 442057940 /nfs/dbraw/zinc/05/79/40/442057940.db2.gz JIPXAKHRYAKMMP-HZMBPMFUSA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000125879440 442057946 /nfs/dbraw/zinc/05/79/46/442057946.db2.gz JIPXAKHRYAKMMP-HZMBPMFUSA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000151468931 442066306 /nfs/dbraw/zinc/06/63/06/442066306.db2.gz XEZUTQCBDICHLA-CJNGLKHVSA-N 1 2 337.383 1.803 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000162615816 442109456 /nfs/dbraw/zinc/10/94/56/442109456.db2.gz MFLKWEALSGUNMS-GOSISDBHSA-N 1 2 345.468 1.804 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000151739845 442114074 /nfs/dbraw/zinc/11/40/74/442114074.db2.gz SGUGRGDWBVKXHD-GHMZBOCLSA-N 1 2 325.434 1.970 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000120611697 442104107 /nfs/dbraw/zinc/10/41/07/442104107.db2.gz FUBMHVOXPXHTEP-UHFFFAOYSA-N 1 2 330.432 1.163 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000120611697 442104111 /nfs/dbraw/zinc/10/41/11/442104111.db2.gz FUBMHVOXPXHTEP-UHFFFAOYSA-N 1 2 330.432 1.163 20 30 EDEDLO C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000163960683 442187249 /nfs/dbraw/zinc/18/72/49/442187249.db2.gz REROUUZFAAVKIY-HUUCEWRRSA-N 1 2 345.443 1.941 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC000121407761 442213386 /nfs/dbraw/zinc/21/33/86/442213386.db2.gz YWAODGOGYJNWLS-QGZVFWFLSA-N 1 2 341.455 1.382 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC000121407761 442213389 /nfs/dbraw/zinc/21/33/89/442213389.db2.gz YWAODGOGYJNWLS-QGZVFWFLSA-N 1 2 341.455 1.382 20 30 EDEDLO C=CCOc1ccccc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000176585433 442237433 /nfs/dbraw/zinc/23/74/33/442237433.db2.gz NNUOJLYRYSWWDZ-HNNXBMFYSA-N 1 2 334.416 1.017 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4cccnn4)CC3)C2=O)cc1 ZINC000170649633 442241889 /nfs/dbraw/zinc/24/18/89/442241889.db2.gz KJFRSYRPHDWOQA-QGZVFWFLSA-N 1 2 348.410 1.276 20 30 EDEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C#N)nc2)c[nH+]1 ZINC000170663466 442245259 /nfs/dbraw/zinc/24/52/59/442245259.db2.gz JBSQUZGZUMRUEP-UHFFFAOYSA-N 1 2 345.428 1.673 20 30 EDEDLO CN(Cc1cccc(C#N)c1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170837769 442272446 /nfs/dbraw/zinc/27/24/46/442272446.db2.gz IUBIDZIMMJKICN-UHFFFAOYSA-N 1 2 330.432 1.810 20 30 EDEDLO CN(Cc1cccc(C#N)c1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170837769 442272449 /nfs/dbraw/zinc/27/24/49/442272449.db2.gz IUBIDZIMMJKICN-UHFFFAOYSA-N 1 2 330.432 1.810 20 30 EDEDLO C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000170935629 442292209 /nfs/dbraw/zinc/29/22/09/442292209.db2.gz SYVTUVKAONNTDN-CHWSQXEVSA-N 1 2 334.395 1.606 20 30 EDEDLO COC(=O)c1coc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000171030408 442301033 /nfs/dbraw/zinc/30/10/33/442301033.db2.gz FWOPFJXBWPUAQN-UHFFFAOYSA-N 1 2 326.356 1.655 20 30 EDEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000132328943 442391902 /nfs/dbraw/zinc/39/19/02/442391902.db2.gz MZUGCUGWBWXXFK-UHFFFAOYSA-N 1 2 325.390 1.477 20 30 EDEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178030605 442402820 /nfs/dbraw/zinc/40/28/20/442402820.db2.gz KVYZKJVACGVPEW-UHFFFAOYSA-N 1 2 345.443 1.943 20 30 EDEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178030605 442402821 /nfs/dbraw/zinc/40/28/21/442402821.db2.gz KVYZKJVACGVPEW-UHFFFAOYSA-N 1 2 345.443 1.943 20 30 EDEDLO CCS(=O)(=O)CC[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180196141 442557597 /nfs/dbraw/zinc/55/75/97/442557597.db2.gz ZDTHUHFJXGWWJI-UHFFFAOYSA-N 1 2 346.456 1.825 20 30 EDEDLO CCS(=O)(=O)CC[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180196141 442557602 /nfs/dbraw/zinc/55/76/02/442557602.db2.gz ZDTHUHFJXGWWJI-UHFFFAOYSA-N 1 2 346.456 1.825 20 30 EDEDLO CC[N@H+](CCS(C)(=O)=O)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180230825 442562463 /nfs/dbraw/zinc/56/24/63/442562463.db2.gz HWRPYNDQYZNIRX-UHFFFAOYSA-N 1 2 346.456 1.825 20 30 EDEDLO CC[N@@H+](CCS(C)(=O)=O)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180230825 442562468 /nfs/dbraw/zinc/56/24/68/442562468.db2.gz HWRPYNDQYZNIRX-UHFFFAOYSA-N 1 2 346.456 1.825 20 30 EDEDLO N#Cc1ccc(C2(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)cc1 ZINC000187006702 442644448 /nfs/dbraw/zinc/64/44/48/442644448.db2.gz HCTZUJZCLPWVAV-QGZVFWFLSA-N 1 2 325.412 1.569 20 30 EDEDLO N#Cc1ccc(C2(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)cc1 ZINC000187006702 442644453 /nfs/dbraw/zinc/64/44/53/442644453.db2.gz HCTZUJZCLPWVAV-QGZVFWFLSA-N 1 2 325.412 1.569 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CSCC#N)c2)CC1 ZINC000187144061 442655665 /nfs/dbraw/zinc/65/56/65/442655665.db2.gz PRNSZDOQLCSWCC-UHFFFAOYSA-N 1 2 346.456 1.546 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000192231719 442619019 /nfs/dbraw/zinc/61/90/19/442619019.db2.gz ZKPXLBSARZJGOB-UHFFFAOYSA-N 1 2 331.441 1.379 20 30 EDEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000192231719 442619020 /nfs/dbraw/zinc/61/90/20/442619020.db2.gz ZKPXLBSARZJGOB-UHFFFAOYSA-N 1 2 331.441 1.379 20 30 EDEDLO C=C(Cl)CNC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000265522711 442808118 /nfs/dbraw/zinc/80/81/18/442808118.db2.gz ACCPUOGEKKPZOG-UHFFFAOYSA-N 1 2 346.859 1.591 20 30 EDEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H](C(=O)NC)C2)ccc1OC ZINC000182450305 442768040 /nfs/dbraw/zinc/76/80/40/442768040.db2.gz FLOHYHCJVDUKRY-QGZVFWFLSA-N 1 2 334.416 1.597 20 30 EDEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@@H](C(=O)NC)C2)ccc1OC ZINC000182450305 442768042 /nfs/dbraw/zinc/76/80/42/442768042.db2.gz FLOHYHCJVDUKRY-QGZVFWFLSA-N 1 2 334.416 1.597 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247224864 442842054 /nfs/dbraw/zinc/84/20/54/442842054.db2.gz ROTQXPVXMOBLQV-DGSCNEQVSA-N 1 2 347.463 1.015 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247224864 442842058 /nfs/dbraw/zinc/84/20/58/442842058.db2.gz ROTQXPVXMOBLQV-DGSCNEQVSA-N 1 2 347.463 1.015 20 30 EDEDLO C#CCOc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000265956495 442983700 /nfs/dbraw/zinc/98/37/00/442983700.db2.gz OTICASODVZEIQH-UHFFFAOYSA-N 1 2 341.411 1.387 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)CCCC#N)C[C@H](C)O1 ZINC000253542293 443073163 /nfs/dbraw/zinc/07/31/63/443073163.db2.gz ORQUFRSHKWTCQN-QLFBSQMISA-N 1 2 329.466 1.194 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)CCCC#N)C[C@H](C)O1 ZINC000253542293 443073165 /nfs/dbraw/zinc/07/31/65/443073165.db2.gz ORQUFRSHKWTCQN-QLFBSQMISA-N 1 2 329.466 1.194 20 30 EDEDLO Cc1nc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000266504304 443148688 /nfs/dbraw/zinc/14/86/88/443148688.db2.gz LETPADGUXVXTIJ-UHFFFAOYSA-N 1 2 340.387 1.277 20 30 EDEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000236656064 443142406 /nfs/dbraw/zinc/14/24/06/443142406.db2.gz CMGRBDDOSRXUBC-MRXNPFEDSA-N 1 2 329.400 1.428 20 30 EDEDLO Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1C#N ZINC000261724603 443166968 /nfs/dbraw/zinc/16/69/68/443166968.db2.gz NUBXVSJINZSXRD-MRXNPFEDSA-N 1 2 342.424 1.597 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185194431 443158752 /nfs/dbraw/zinc/15/87/52/443158752.db2.gz RDVAHQRYMROEHD-QFBILLFUSA-N 1 2 343.427 1.813 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185194431 443158755 /nfs/dbraw/zinc/15/87/55/443158755.db2.gz RDVAHQRYMROEHD-QFBILLFUSA-N 1 2 343.427 1.813 20 30 EDEDLO C=CC[C@H](CO)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000185701374 443240704 /nfs/dbraw/zinc/24/07/04/443240704.db2.gz HHEHOYFSWNUENG-GOEBONIOSA-N 1 2 335.423 1.389 20 30 EDEDLO N#Cc1cc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)ccn1 ZINC000610991986 450399702 /nfs/dbraw/zinc/39/97/02/450399702.db2.gz YJQHQROUZHPIJQ-UHFFFAOYSA-N 1 2 341.459 1.473 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245769033 443249307 /nfs/dbraw/zinc/24/93/07/443249307.db2.gz RVWSQZDXNJOKHE-NEPJUHHUSA-N 1 2 332.395 1.048 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245769033 443249310 /nfs/dbraw/zinc/24/93/10/443249310.db2.gz RVWSQZDXNJOKHE-NEPJUHHUSA-N 1 2 332.395 1.048 20 30 EDEDLO CCOc1cc(C)nc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)n1 ZINC000191339841 443281427 /nfs/dbraw/zinc/28/14/27/443281427.db2.gz QXVWCRVNAPPMQL-UHFFFAOYSA-N 1 2 340.431 1.716 20 30 EDEDLO CCOC(=O)C1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000266924514 443292630 /nfs/dbraw/zinc/29/26/30/443292630.db2.gz MXUYXEAZLRESDP-ZDUSSCGKSA-N 1 2 345.399 1.275 20 30 EDEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCC#Cc3ccccc3)C2)CC1 ZINC000264379275 443269575 /nfs/dbraw/zinc/26/95/75/443269575.db2.gz IAAKYDRLUOYJHY-IBGZPJMESA-N 1 2 340.471 1.460 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000264685472 443373401 /nfs/dbraw/zinc/37/34/01/443373401.db2.gz CAPUGEXOQPQSSO-SWLSCSKDSA-N 1 2 333.819 1.515 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000264685472 443373403 /nfs/dbraw/zinc/37/34/03/443373403.db2.gz CAPUGEXOQPQSSO-SWLSCSKDSA-N 1 2 333.819 1.515 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](CCO)Cc1ccc(OC)cc1OC ZINC000264701900 443381736 /nfs/dbraw/zinc/38/17/36/443381736.db2.gz INLUCFCQCUBBQY-UHFFFAOYSA-N 1 2 349.431 1.260 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](CCO)Cc1ccc(OC)cc1OC ZINC000264701900 443381740 /nfs/dbraw/zinc/38/17/40/443381740.db2.gz INLUCFCQCUBBQY-UHFFFAOYSA-N 1 2 349.431 1.260 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1cc(Cl)c2c(c1)OCCO2 ZINC000264750127 443405226 /nfs/dbraw/zinc/40/52/26/443405226.db2.gz WAHVYTNJIFJFPL-UHFFFAOYSA-N 1 2 341.795 1.232 20 30 EDEDLO C#Cc1cc(F)c(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000282944583 443477314 /nfs/dbraw/zinc/47/73/14/443477314.db2.gz MXRGDYKLJSMAQE-UHFFFAOYSA-N 1 2 333.338 1.191 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)nc3)CC2)n1 ZINC000267431415 443455284 /nfs/dbraw/zinc/45/52/84/443455284.db2.gz WUVOLLUSEHKOGC-ZDUSSCGKSA-N 1 2 342.403 1.756 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)nc3)CC2)n1 ZINC000267431415 443455286 /nfs/dbraw/zinc/45/52/86/443455286.db2.gz WUVOLLUSEHKOGC-ZDUSSCGKSA-N 1 2 342.403 1.756 20 30 EDEDLO CCc1nnc([C@@H]2C[N@H+](CCOc3ccc(C#N)cc3)CCO2)o1 ZINC000279048873 443501270 /nfs/dbraw/zinc/50/12/70/443501270.db2.gz DFBDWKGNSQBXEG-HNNXBMFYSA-N 1 2 328.372 1.956 20 30 EDEDLO CCc1nnc([C@@H]2C[N@@H+](CCOc3ccc(C#N)cc3)CCO2)o1 ZINC000279048873 443501273 /nfs/dbraw/zinc/50/12/73/443501273.db2.gz DFBDWKGNSQBXEG-HNNXBMFYSA-N 1 2 328.372 1.956 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000271371171 443501543 /nfs/dbraw/zinc/50/15/43/443501543.db2.gz RJHGQSOMWFVJKQ-CQSZACIVSA-N 1 2 343.427 1.839 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000271371171 443501546 /nfs/dbraw/zinc/50/15/46/443501546.db2.gz RJHGQSOMWFVJKQ-CQSZACIVSA-N 1 2 343.427 1.839 20 30 EDEDLO C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2C(C)=O)CC1 ZINC000272028010 443523030 /nfs/dbraw/zinc/52/30/30/443523030.db2.gz OLRWQXJJWYKFEF-HNNXBMFYSA-N 1 2 327.428 1.857 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000273075324 443531925 /nfs/dbraw/zinc/53/19/25/443531925.db2.gz BHIHVLVBQJJUGD-CQSZACIVSA-N 1 2 348.403 1.036 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000273075324 443531928 /nfs/dbraw/zinc/53/19/28/443531928.db2.gz BHIHVLVBQJJUGD-CQSZACIVSA-N 1 2 348.403 1.036 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000265173289 443558227 /nfs/dbraw/zinc/55/82/27/443558227.db2.gz WWGNHHBBLRMITQ-MRXNPFEDSA-N 1 2 338.415 1.340 20 30 EDEDLO COCCOCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000273596074 443582729 /nfs/dbraw/zinc/58/27/29/443582729.db2.gz WBZLNYNOFRUWSY-UHFFFAOYSA-N 1 2 345.399 1.961 20 30 EDEDLO CCOCCOC1C[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000273706410 443585393 /nfs/dbraw/zinc/58/53/93/443585393.db2.gz OWCSJZHKCWKHPS-MRXNPFEDSA-N 1 2 334.416 1.230 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(c2nc(Cl)c(C#N)s2)C1 ZINC000286575509 443716543 /nfs/dbraw/zinc/71/65/43/443716543.db2.gz GLWAOGLIEKVXAY-VIFPVBQESA-N 1 2 349.851 1.751 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(c2nc(Cl)c(C#N)s2)C1 ZINC000286575509 443716546 /nfs/dbraw/zinc/71/65/46/443716546.db2.gz GLWAOGLIEKVXAY-VIFPVBQESA-N 1 2 349.851 1.751 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C)CC1 ZINC000283796541 443722352 /nfs/dbraw/zinc/72/23/52/443722352.db2.gz NBOJLCGARZVOKA-UHFFFAOYSA-N 1 2 339.399 1.009 20 30 EDEDLO C#CCNc1nc(NC[C@H]2CCCO2)[nH+]c(NC[C@@H]2CCCO2)n1 ZINC000286991462 443731842 /nfs/dbraw/zinc/73/18/42/443731842.db2.gz OOTOISGQNBMZLQ-BETUJISGSA-N 1 2 332.408 1.099 20 30 EDEDLO C#CCNc1nc(NC[C@H]2CCCO2)nc(NC[C@@H]2CCCO2)[nH+]1 ZINC000286991462 443731850 /nfs/dbraw/zinc/73/18/50/443731850.db2.gz OOTOISGQNBMZLQ-BETUJISGSA-N 1 2 332.408 1.099 20 30 EDEDLO C#CCNc1nc(NC[C@@H]2CCCO2)nc(NC[C@H]2CCCO2)[nH+]1 ZINC000286991462 443731855 /nfs/dbraw/zinc/73/18/55/443731855.db2.gz OOTOISGQNBMZLQ-BETUJISGSA-N 1 2 332.408 1.099 20 30 EDEDLO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)nn1CCC#N ZINC000287271410 443739284 /nfs/dbraw/zinc/73/92/84/443739284.db2.gz YLEPWRYGEUXUJQ-HIFRSBDPSA-N 1 2 346.435 1.432 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000292371616 443791783 /nfs/dbraw/zinc/79/17/83/443791783.db2.gz AIOHFVFDOPAVPJ-UHFFFAOYSA-N 1 2 335.411 1.982 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000291265420 443754598 /nfs/dbraw/zinc/75/45/98/443754598.db2.gz PTHPZMPTCQTCRP-UHFFFAOYSA-N 1 2 325.372 1.717 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000291903689 443771514 /nfs/dbraw/zinc/77/15/14/443771514.db2.gz MQUWKGNRUUHNGX-UHFFFAOYSA-N 1 2 338.415 1.714 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000288242517 443817066 /nfs/dbraw/zinc/81/70/66/443817066.db2.gz SGFULYDLXTYYCM-HKUYNNGSSA-N 1 2 343.471 1.983 20 30 EDEDLO C=CCN1CC[C@H](N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1=O ZINC000281146470 443831365 /nfs/dbraw/zinc/83/13/65/443831365.db2.gz BABNPHLOWIFZND-INIZCTEOSA-N 1 2 343.475 1.817 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccnc2C#N)[C@H](c2ccccc2)C1 ZINC000277002768 443887873 /nfs/dbraw/zinc/88/78/73/443887873.db2.gz KFPAXIOPMJKSPF-INIZCTEOSA-N 1 2 342.424 1.631 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2cccnc2C#N)[C@H](c2ccccc2)C1 ZINC000277002768 443887877 /nfs/dbraw/zinc/88/78/77/443887877.db2.gz KFPAXIOPMJKSPF-INIZCTEOSA-N 1 2 342.424 1.631 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(c3ccccc3OC)C2=O)C1=O ZINC000281228832 443853615 /nfs/dbraw/zinc/85/36/15/443853615.db2.gz FGMXCFSZBYHPFW-HZPDHXFCSA-N 1 2 343.427 1.519 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(c3ccccc3OC)C2=O)C1=O ZINC000281228832 443853621 /nfs/dbraw/zinc/85/36/21/443853621.db2.gz FGMXCFSZBYHPFW-HZPDHXFCSA-N 1 2 343.427 1.519 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N2CCc3sccc3C2)C1=O ZINC000281241566 443857352 /nfs/dbraw/zinc/85/73/52/443857352.db2.gz GEWUUCXJJOFSQK-ZFWWWQNUSA-N 1 2 347.484 1.740 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N2CCc3sccc3C2)C1=O ZINC000281241566 443857357 /nfs/dbraw/zinc/85/73/57/443857357.db2.gz GEWUUCXJJOFSQK-ZFWWWQNUSA-N 1 2 347.484 1.740 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)ccc2OC)C1=O ZINC000281412297 443904087 /nfs/dbraw/zinc/90/40/87/443904087.db2.gz RFYZQUAMTRTJNH-HNNXBMFYSA-N 1 2 331.416 1.661 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)ccc2OC)C1=O ZINC000281412297 443904089 /nfs/dbraw/zinc/90/40/89/443904089.db2.gz RFYZQUAMTRTJNH-HNNXBMFYSA-N 1 2 331.416 1.661 20 30 EDEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000540471487 320760129 /nfs/dbraw/zinc/76/01/29/320760129.db2.gz JUBWILHGKAOAAU-UHFFFAOYSA-N 1 2 349.372 1.422 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000281677058 443975793 /nfs/dbraw/zinc/97/57/93/443975793.db2.gz ZGYOAHLVASHQQZ-JHNDHUHGSA-N 1 2 348.447 1.921 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000281719463 443987709 /nfs/dbraw/zinc/98/77/09/443987709.db2.gz FBVODVLMTSWAAT-ROUUACIJSA-N 1 2 344.459 1.890 20 30 EDEDLO COc1cc[nH+]cc1CNC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000293469834 444026998 /nfs/dbraw/zinc/02/69/98/444026998.db2.gz WJTYOLLUBWOZMC-UHFFFAOYSA-N 1 2 340.383 1.928 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)C1=O ZINC000281994635 444057967 /nfs/dbraw/zinc/05/79/67/444057967.db2.gz NCOWYQUURQEFST-IAGOWNOFSA-N 1 2 327.428 1.901 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)C1=O ZINC000281994635 444057969 /nfs/dbraw/zinc/05/79/69/444057969.db2.gz NCOWYQUURQEFST-IAGOWNOFSA-N 1 2 327.428 1.901 20 30 EDEDLO N#Cc1ccsc1NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000293582549 444060293 /nfs/dbraw/zinc/06/02/93/444060293.db2.gz DKJSRBQIJGYELO-LBPRGKRZSA-N 1 2 341.396 1.348 20 30 EDEDLO COc1ccc2cc(CN(C)C(=O)CO[NH+]=C(N)CCO)ccc2c1 ZINC000278307282 444135141 /nfs/dbraw/zinc/13/51/41/444135141.db2.gz WKQNTOYSUMFEFY-UHFFFAOYSA-N 1 2 345.399 1.478 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2ccccn2)CC1 ZINC000295157538 444167394 /nfs/dbraw/zinc/16/73/94/444167394.db2.gz MTOPWINJMOJMON-QGZVFWFLSA-N 1 2 329.448 1.206 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2ccccn2)CC1 ZINC000295157538 444167398 /nfs/dbraw/zinc/16/73/98/444167398.db2.gz MTOPWINJMOJMON-QGZVFWFLSA-N 1 2 329.448 1.206 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000302216271 444209030 /nfs/dbraw/zinc/20/90/30/444209030.db2.gz PCVULEQQIFBDGZ-UHFFFAOYSA-N 1 2 332.360 1.542 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000302216271 444209033 /nfs/dbraw/zinc/20/90/33/444209033.db2.gz PCVULEQQIFBDGZ-UHFFFAOYSA-N 1 2 332.360 1.542 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302424833 444212958 /nfs/dbraw/zinc/21/29/58/444212958.db2.gz JTZBZRXGQYWWJN-UHFFFAOYSA-N 1 2 344.382 1.433 20 30 EDEDLO C#CCO[C@H](C)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000295258203 444173879 /nfs/dbraw/zinc/17/38/79/444173879.db2.gz KSCDAXYKLFZKHM-CABCVRRESA-N 1 2 336.457 1.618 20 30 EDEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000296006916 444198645 /nfs/dbraw/zinc/19/86/45/444198645.db2.gz NEZDRWCZXJWZNV-CVEARBPZSA-N 1 2 343.427 1.700 20 30 EDEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2nc3ccccn3c2C#N)CC1 ZINC000302055269 444202272 /nfs/dbraw/zinc/20/22/72/444202272.db2.gz AAFZRKHBUHYFEZ-UHFFFAOYSA-N 1 2 347.444 1.127 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305134230 444259945 /nfs/dbraw/zinc/25/99/45/444259945.db2.gz KQSKCIAOGGNDBK-FZMZJTMJSA-N 1 2 335.370 1.630 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290309523 444265307 /nfs/dbraw/zinc/26/53/07/444265307.db2.gz JOALWZGDGPXQDH-GFCCVEGCSA-N 1 2 339.355 1.155 20 30 EDEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000290649146 444305807 /nfs/dbraw/zinc/30/58/07/444305807.db2.gz BPABMRBTABTHCB-UHFFFAOYSA-N 1 2 329.335 1.381 20 30 EDEDLO CCOc1ccc(O)c(/C=[NH+]/Cc2cn([C@@H]3COC[C@H]3OC)nn2)c1 ZINC000290518009 444290672 /nfs/dbraw/zinc/29/06/72/444290672.db2.gz KEFRJPGGPAGEHU-ILFNLNJKSA-N 1 2 346.387 1.588 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000340263384 444375336 /nfs/dbraw/zinc/37/53/36/444375336.db2.gz ZGXVRHPUAVQBBY-OAHLLOKOSA-N 1 2 325.453 1.028 20 30 EDEDLO CN(C(=O)CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C1CCCCC1 ZINC000328782248 444351191 /nfs/dbraw/zinc/35/11/91/444351191.db2.gz GCGZIXTVXBQLSV-CQSZACIVSA-N 1 2 347.463 1.915 20 30 EDEDLO O=C(NCc1nnc2n1CCCC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328786517 444351740 /nfs/dbraw/zinc/35/17/40/444351740.db2.gz WSBZXFMSUSQWPC-UHFFFAOYSA-N 1 2 329.408 1.631 20 30 EDEDLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328788366 444352656 /nfs/dbraw/zinc/35/26/56/444352656.db2.gz KBZWTLDFHRUOSY-BPUTZDHNSA-N 1 2 337.464 1.843 20 30 EDEDLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328788366 444352661 /nfs/dbraw/zinc/35/26/61/444352661.db2.gz KBZWTLDFHRUOSY-BPUTZDHNSA-N 1 2 337.464 1.843 20 30 EDEDLO C=CC[C@H]1N(C(=O)C(=O)N(C)Cc2[nH+]ccn2C)CCCC1(C)C ZINC000297922644 444358891 /nfs/dbraw/zinc/35/88/91/444358891.db2.gz YJGIOLCECAAAHD-CQSZACIVSA-N 1 2 332.448 1.972 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)NCc1ncnn1C(C)(C)C)[NH+]1CCOCC1 ZINC000328821449 444364803 /nfs/dbraw/zinc/36/48/03/444364803.db2.gz OYCWUFLJFJITEI-QWHCGFSZSA-N 1 2 338.456 1.146 20 30 EDEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCCC(=O)N1 ZINC000328839950 444370238 /nfs/dbraw/zinc/37/02/38/444370238.db2.gz YXBVLVHLGDCRAK-IUODEOHRSA-N 1 2 327.450 1.660 20 30 EDEDLO NC(=O)c1ccc(N2CC[NH+](CC(=O)NC3CCOCC3)CC2)nc1 ZINC000328872632 444383480 /nfs/dbraw/zinc/38/34/80/444383480.db2.gz DXJIRTPQMLQLGP-UHFFFAOYSA-N 1 2 347.419 1.222 20 30 EDEDLO CO[C@H]1C[C@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)N(C(C)=O)C1 ZINC000328606855 444391587 /nfs/dbraw/zinc/39/15/87/444391587.db2.gz KSSBYTUUKYAOED-CMPLNLGQSA-N 1 2 338.433 1.355 20 30 EDEDLO CO[C@H]1C[C@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)N(C(C)=O)C1 ZINC000328606855 444391592 /nfs/dbraw/zinc/39/15/92/444391592.db2.gz KSSBYTUUKYAOED-CMPLNLGQSA-N 1 2 338.433 1.355 20 30 EDEDLO CCn1cnnc1[C@@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000328625490 444399398 /nfs/dbraw/zinc/39/93/98/444399398.db2.gz DEWPLILMZPSFNR-INIZCTEOSA-N 1 2 327.388 1.622 20 30 EDEDLO CCn1cnnc1[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000328625490 444399400 /nfs/dbraw/zinc/39/94/00/444399400.db2.gz DEWPLILMZPSFNR-INIZCTEOSA-N 1 2 327.388 1.622 20 30 EDEDLO C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)[C@H](C)C1 ZINC000331237703 444454217 /nfs/dbraw/zinc/45/42/17/444454217.db2.gz LEWIBUDAYIRNFY-TUVASFSCSA-N 1 2 340.468 1.893 20 30 EDEDLO C[C@@H]1CC[C@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)[C@H](C)C1 ZINC000331237703 444454221 /nfs/dbraw/zinc/45/42/21/444454221.db2.gz LEWIBUDAYIRNFY-TUVASFSCSA-N 1 2 340.468 1.893 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000331341341 444467705 /nfs/dbraw/zinc/46/77/05/444467705.db2.gz SOOFNIQLOQYZKY-XHBSWPGZSA-N 1 2 335.408 1.398 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000331341341 444467708 /nfs/dbraw/zinc/46/77/08/444467708.db2.gz SOOFNIQLOQYZKY-XHBSWPGZSA-N 1 2 335.408 1.398 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000331341341 444467711 /nfs/dbraw/zinc/46/77/11/444467711.db2.gz SOOFNIQLOQYZKY-XHBSWPGZSA-N 1 2 335.408 1.398 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000331341341 444467714 /nfs/dbraw/zinc/46/77/14/444467714.db2.gz SOOFNIQLOQYZKY-XHBSWPGZSA-N 1 2 335.408 1.398 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)Nc1ccn(CC(F)F)n1)[NH+]1CCOCC1 ZINC000331182527 444434387 /nfs/dbraw/zinc/43/43/87/444434387.db2.gz SBODLAVQYQIXPL-WDEREUQCSA-N 1 2 331.367 1.583 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000329005757 444442611 /nfs/dbraw/zinc/44/26/11/444442611.db2.gz YSRPHOAFOIAMSA-GVDBMIGSSA-N 1 2 329.400 1.359 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000329005757 444442614 /nfs/dbraw/zinc/44/26/14/444442614.db2.gz YSRPHOAFOIAMSA-GVDBMIGSSA-N 1 2 329.400 1.359 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cc(Br)ccn3)C[C@@H]21 ZINC000329137437 444481321 /nfs/dbraw/zinc/48/13/21/444481321.db2.gz RKRBFPBYXSUSRI-WDEREUQCSA-N 1 2 341.209 1.404 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cc(Br)ccn3)C[C@@H]21 ZINC000329137437 444481322 /nfs/dbraw/zinc/48/13/22/444481322.db2.gz RKRBFPBYXSUSRI-WDEREUQCSA-N 1 2 341.209 1.404 20 30 EDEDLO N#Cc1cncc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000580307741 322033922 /nfs/dbraw/zinc/03/39/22/322033922.db2.gz TYIOBUHKESFVJA-UHFFFAOYSA-N 1 2 337.383 1.442 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000332343053 444511118 /nfs/dbraw/zinc/51/11/18/444511118.db2.gz TWIJHXLUHHLXRV-QGZVFWFLSA-N 1 2 340.471 1.881 20 30 EDEDLO C[C@@H](C(=O)N1CCO[C@H](C#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000332534673 444518452 /nfs/dbraw/zinc/51/84/52/444518452.db2.gz IIXPEMRWYNMDNN-WMLDXEAASA-N 1 2 346.406 1.087 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCCc2cnn(C)c2)CC1 ZINC000329405855 444566535 /nfs/dbraw/zinc/56/65/35/444566535.db2.gz AULGXSNIBGUILO-UHFFFAOYSA-N 1 2 328.420 1.402 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOc4cc(F)ccc43)C[C@H]21 ZINC000329425794 444575098 /nfs/dbraw/zinc/57/50/98/444575098.db2.gz GLQSFHURRCZTEF-BFYDXBDKSA-N 1 2 349.406 1.968 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOc4cc(F)ccc43)C[C@H]21 ZINC000329425794 444575101 /nfs/dbraw/zinc/57/51/01/444575101.db2.gz GLQSFHURRCZTEF-BFYDXBDKSA-N 1 2 349.406 1.968 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccccc3O[C@@H]3CCOC3)C[C@@H]21 ZINC000329496995 444604544 /nfs/dbraw/zinc/60/45/44/444604544.db2.gz GFEBNDBIAVGCCB-UKPHBRMFSA-N 1 2 347.415 1.415 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccccc3O[C@@H]3CCOC3)C[C@@H]21 ZINC000329496995 444604545 /nfs/dbraw/zinc/60/45/45/444604545.db2.gz GFEBNDBIAVGCCB-UKPHBRMFSA-N 1 2 347.415 1.415 20 30 EDEDLO N#CCN1CCC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329519884 444613008 /nfs/dbraw/zinc/61/30/08/444613008.db2.gz FGMCKGOPLBFXAU-WBVHZDCISA-N 1 2 334.464 1.822 20 30 EDEDLO N#CCN1CCC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329519884 444613010 /nfs/dbraw/zinc/61/30/10/444613010.db2.gz FGMCKGOPLBFXAU-WBVHZDCISA-N 1 2 334.464 1.822 20 30 EDEDLO Cc1noc([C@H]2CCCCN2C(=O)NCC2([NH+]3CCOCC3)CC2)n1 ZINC000329554226 444626287 /nfs/dbraw/zinc/62/62/87/444626287.db2.gz PZGZRNIMEDKGOV-CQSZACIVSA-N 1 2 349.435 1.684 20 30 EDEDLO O=C(C[N@H+]1CCSC[C@H]1CO)Nc1ccccc1N1CCCC1=O ZINC000329617034 444650606 /nfs/dbraw/zinc/65/06/06/444650606.db2.gz DOVDZDKWOWRNKC-CYBMUJFWSA-N 1 2 349.456 1.811 20 30 EDEDLO O=C(C[N@@H+]1CCSC[C@H]1CO)Nc1ccccc1N1CCCC1=O ZINC000329617034 444650609 /nfs/dbraw/zinc/65/06/09/444650609.db2.gz DOVDZDKWOWRNKC-CYBMUJFWSA-N 1 2 349.456 1.811 20 30 EDEDLO Cn1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(C2CC2)n1 ZINC000329619572 444651018 /nfs/dbraw/zinc/65/10/18/444651018.db2.gz MFXVFJSGRAVCBM-CQSZACIVSA-N 1 2 333.436 1.640 20 30 EDEDLO Cc1cnn(CC2CCN(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000329691575 444680573 /nfs/dbraw/zinc/68/05/73/444680573.db2.gz DOUYHVFGMPSILN-INIZCTEOSA-N 1 2 335.452 1.148 20 30 EDEDLO Cc1cnn(CC2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000329691575 444680576 /nfs/dbraw/zinc/68/05/76/444680576.db2.gz DOUYHVFGMPSILN-INIZCTEOSA-N 1 2 335.452 1.148 20 30 EDEDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000329576150 444633990 /nfs/dbraw/zinc/63/39/90/444633990.db2.gz SEMSIZNPQUSIID-QILLFSRXSA-N 1 2 345.443 1.767 20 30 EDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2COCCO2)CC1 ZINC000329719092 444691128 /nfs/dbraw/zinc/69/11/28/444691128.db2.gz ZWPJBGAKXWQEQU-GDBMZVCRSA-N 1 2 334.420 1.090 20 30 EDEDLO CC(C)c1nnc2n1CCN(C(=O)N[C@@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000329734440 444697161 /nfs/dbraw/zinc/69/71/61/444697161.db2.gz KIIDMQYUUGWSHT-LLVKDONJSA-N 1 2 329.408 1.412 20 30 EDEDLO CC(C)c1nnc2n1CCN(C(=O)N[C@@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000329734440 444697165 /nfs/dbraw/zinc/69/71/65/444697165.db2.gz KIIDMQYUUGWSHT-LLVKDONJSA-N 1 2 329.408 1.412 20 30 EDEDLO COCC1(C#N)CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000341263755 444753140 /nfs/dbraw/zinc/75/31/40/444753140.db2.gz XYJOYJKFTMIAGG-UHFFFAOYSA-N 1 2 345.447 1.724 20 30 EDEDLO N#C[C@@H]1N(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC[C@@]12CCCCO2 ZINC000329889157 444754103 /nfs/dbraw/zinc/75/41/03/444754103.db2.gz ZUNODRUDXXFZQR-VKJFTORMSA-N 1 2 328.416 1.899 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccccc3-n3cccn3)C[C@H]21 ZINC000329922311 444769931 /nfs/dbraw/zinc/76/99/31/444769931.db2.gz HZNKSKXLIQVXRK-HZPDHXFCSA-N 1 2 327.388 1.433 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccccc3-n3cccn3)C[C@H]21 ZINC000329922311 444769935 /nfs/dbraw/zinc/76/99/35/444769935.db2.gz HZNKSKXLIQVXRK-HZPDHXFCSA-N 1 2 327.388 1.433 20 30 EDEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1=O ZINC000329934464 444775631 /nfs/dbraw/zinc/77/56/31/444775631.db2.gz BZLXPVBAUUYXQV-CQJMVSDSSA-N 1 2 345.447 1.689 20 30 EDEDLO C[C@@H]1C[C@@H]1N1C[C@H]([NH+]=C([O-])N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1=O ZINC000329934464 444775633 /nfs/dbraw/zinc/77/56/33/444775633.db2.gz BZLXPVBAUUYXQV-CQJMVSDSSA-N 1 2 345.447 1.689 20 30 EDEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC12CCCC2 ZINC000329995866 444804500 /nfs/dbraw/zinc/80/45/00/444804500.db2.gz NWUIRUOANIRZFE-GJZGRUSLSA-N 1 2 335.448 1.456 20 30 EDEDLO N#CCNC(=O)CNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000344160775 444813776 /nfs/dbraw/zinc/81/37/76/444813776.db2.gz YYWCUVICVSGKAF-UHFFFAOYSA-N 1 2 325.372 1.060 20 30 EDEDLO Cc1cc(C#N)cc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)n1 ZINC000341416792 444818057 /nfs/dbraw/zinc/81/80/57/444818057.db2.gz INCLRYQBBBIQDF-GOSISDBHSA-N 1 2 335.411 1.610 20 30 EDEDLO Cc1cc(C#N)cc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)n1 ZINC000341416793 444818289 /nfs/dbraw/zinc/81/82/89/444818289.db2.gz INCLRYQBBBIQDF-SFHVURJKSA-N 1 2 335.411 1.610 20 30 EDEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cn([C@@H]2CCOC2)nn1 ZINC000330044295 444823087 /nfs/dbraw/zinc/82/30/87/444823087.db2.gz FSAOPEWSSUDJOF-CQSZACIVSA-N 1 2 342.403 1.608 20 30 EDEDLO CC(C)(CNC(=O)CN1CCOC2(CCCC2)C1)[NH+]1CCOCC1 ZINC000330098337 444842995 /nfs/dbraw/zinc/84/29/95/444842995.db2.gz BSKOBABSGWKZMS-UHFFFAOYSA-N 1 2 339.480 1.699 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000336903410 444843634 /nfs/dbraw/zinc/84/36/34/444843634.db2.gz CUVUHVNEQRDKJK-UHFFFAOYSA-N 1 2 335.433 1.415 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](CCSc2ccccc2F)CC1 ZINC000341509809 444868967 /nfs/dbraw/zinc/86/89/67/444868967.db2.gz WULVAKXPDWKWEQ-UHFFFAOYSA-N 1 2 337.464 1.838 20 30 EDEDLO C=C(C)Cn1c([C@H]2OCC[C@@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000338846852 444885946 /nfs/dbraw/zinc/88/59/46/444885946.db2.gz IDHNAWMHGWTKQX-HOTGVXAUSA-N 1 2 349.479 1.720 20 30 EDEDLO C=CCCOCCCCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000342864093 444900418 /nfs/dbraw/zinc/90/04/18/444900418.db2.gz AATHQUAIQWDIKM-UHFFFAOYSA-N 1 2 325.453 1.158 20 30 EDEDLO O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330253124 444908197 /nfs/dbraw/zinc/90/81/97/444908197.db2.gz IRFDIDPDRSTDEH-HZPDHXFCSA-N 1 2 348.447 1.990 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCOC2(CCOCC2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000330253124 444908199 /nfs/dbraw/zinc/90/81/99/444908199.db2.gz IRFDIDPDRSTDEH-HZPDHXFCSA-N 1 2 348.447 1.990 20 30 EDEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cc2n(n1)CCCO2 ZINC000330346710 444946286 /nfs/dbraw/zinc/94/62/86/444946286.db2.gz GXVMVYILLZWEGK-UHFFFAOYSA-N 1 2 343.387 1.402 20 30 EDEDLO CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cn1 ZINC000330359878 444951629 /nfs/dbraw/zinc/95/16/29/444951629.db2.gz WNLCMKHJIMVSKN-HYVNUMGLSA-N 1 2 349.479 1.573 20 30 EDEDLO CCC(=O)N[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000330415992 444973617 /nfs/dbraw/zinc/97/36/17/444973617.db2.gz AVDWSQAKQPXMDT-CQSZACIVSA-N 1 2 340.468 1.002 20 30 EDEDLO CCC(=O)N[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000330415992 444973619 /nfs/dbraw/zinc/97/36/19/444973619.db2.gz AVDWSQAKQPXMDT-CQSZACIVSA-N 1 2 340.468 1.002 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCCOC2CCCCC2)CCN1C ZINC000330327408 444938631 /nfs/dbraw/zinc/93/86/31/444938631.db2.gz KWRXVVGOTPNJOB-MRXNPFEDSA-N 1 2 349.479 1.972 20 30 EDEDLO Cc1cc(C[N@@H+]2C[C@H](F)C[C@@H]2C(=O)N2CCOCC2)ccc1C#N ZINC000344510241 445023377 /nfs/dbraw/zinc/02/33/77/445023377.db2.gz HGYPMTOMRHZHRS-IAGOWNOFSA-N 1 2 331.391 1.638 20 30 EDEDLO Cc1cc(C[N@H+]2C[C@H](F)C[C@@H]2C(=O)N2CCOCC2)ccc1C#N ZINC000344510241 445023381 /nfs/dbraw/zinc/02/33/81/445023381.db2.gz HGYPMTOMRHZHRS-IAGOWNOFSA-N 1 2 331.391 1.638 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(Cc2ccc(C)o2)C2CC2)C1=O ZINC000337204176 444985135 /nfs/dbraw/zinc/98/51/35/444985135.db2.gz HLIFLAGMCPLLCJ-KRWDZBQOSA-N 1 2 345.443 1.798 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(Cc2ccc(C)o2)C2CC2)C1=O ZINC000337204176 444985137 /nfs/dbraw/zinc/98/51/37/444985137.db2.gz HLIFLAGMCPLLCJ-KRWDZBQOSA-N 1 2 345.443 1.798 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[NH+](CC(C)C)CC2)cc1C#N ZINC000330467454 444992791 /nfs/dbraw/zinc/99/27/91/444992791.db2.gz JFZMINRECVFJFD-UHFFFAOYSA-N 1 2 334.445 1.795 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C1=O ZINC000337228752 444995072 /nfs/dbraw/zinc/99/50/72/444995072.db2.gz RGIQPEFCTUBRDV-UONOGXRCSA-N 1 2 333.436 1.083 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C1=O ZINC000337228752 444995078 /nfs/dbraw/zinc/99/50/78/444995078.db2.gz RGIQPEFCTUBRDV-UONOGXRCSA-N 1 2 333.436 1.083 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(Cc2ccccc2)C2CC2)C1=O ZINC000337229333 444995313 /nfs/dbraw/zinc/99/53/13/444995313.db2.gz RTCQFVZNSUCGER-SFHVURJKSA-N 1 2 341.455 1.896 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(Cc2ccccc2)C2CC2)C1=O ZINC000337229333 444995317 /nfs/dbraw/zinc/99/53/17/444995317.db2.gz RTCQFVZNSUCGER-SFHVURJKSA-N 1 2 341.455 1.896 20 30 EDEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000344483607 445002651 /nfs/dbraw/zinc/00/26/51/445002651.db2.gz LTCNSZANHZGHLE-QGZVFWFLSA-N 1 2 342.443 1.507 20 30 EDEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000344483607 445002654 /nfs/dbraw/zinc/00/26/54/445002654.db2.gz LTCNSZANHZGHLE-QGZVFWFLSA-N 1 2 342.443 1.507 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000341989428 445110659 /nfs/dbraw/zinc/11/06/59/445110659.db2.gz JZYDFTFGKQPKDM-UHFFFAOYSA-N 1 2 344.415 1.836 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2cccc3nsnc32)CC1 ZINC000341994713 445113576 /nfs/dbraw/zinc/11/35/76/445113576.db2.gz RJVVZPFURXMVLY-UHFFFAOYSA-N 1 2 345.428 1.882 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000330868829 445173588 /nfs/dbraw/zinc/17/35/88/445173588.db2.gz YQTJUNDWJWHVBS-GASCZTMLSA-N 1 2 335.473 1.746 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000330868829 445173593 /nfs/dbraw/zinc/17/35/93/445173593.db2.gz YQTJUNDWJWHVBS-GASCZTMLSA-N 1 2 335.473 1.746 20 30 EDEDLO N#Cc1ccc(NCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)nc1 ZINC000345225923 445174594 /nfs/dbraw/zinc/17/45/94/445174594.db2.gz VEVIBKPYMCRRAP-UHFFFAOYSA-N 1 2 346.394 1.926 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cc(C#N)ccn3)c[nH+]2)CCO1 ZINC000339441279 445142338 /nfs/dbraw/zinc/14/23/38/445142338.db2.gz REPMMSIKGVTYSX-ZDUSSCGKSA-N 1 2 337.383 1.503 20 30 EDEDLO CN(C)C(=O)COC[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CC(C)(C)O1 ZINC000343338399 445204395 /nfs/dbraw/zinc/20/43/95/445204395.db2.gz JVKHNAZFXCAALH-GJZGRUSLSA-N 1 2 336.436 1.014 20 30 EDEDLO CN(C)C(=O)COC[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC(C)(C)O1 ZINC000343338399 445204396 /nfs/dbraw/zinc/20/43/96/445204396.db2.gz JVKHNAZFXCAALH-GJZGRUSLSA-N 1 2 336.436 1.014 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000343327122 445200301 /nfs/dbraw/zinc/20/03/01/445200301.db2.gz AMHKJMPAHNSQJC-KKUMJFAQSA-N 1 2 325.453 1.073 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000354471487 445252528 /nfs/dbraw/zinc/25/25/28/445252528.db2.gz ZQTWUSFIMMRFEZ-OLZOCXBDSA-N 1 2 335.429 1.252 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000354471487 445252530 /nfs/dbraw/zinc/25/25/30/445252530.db2.gz ZQTWUSFIMMRFEZ-OLZOCXBDSA-N 1 2 335.429 1.252 20 30 EDEDLO C=CCOC[C@H]1NC(=O)N(Cc2ccccc2Cn2cc[nH+]c2)C1=O ZINC000348474755 445303358 /nfs/dbraw/zinc/30/33/58/445303358.db2.gz HSHKKHVWSNBDCO-MRXNPFEDSA-N 1 2 340.383 1.554 20 30 EDEDLO COc1cc(CNC(=O)C(=O)Nc2ccc(C)[nH+]c2C)ccc1C#N ZINC000354683866 445339243 /nfs/dbraw/zinc/33/92/43/445339243.db2.gz CZHCSIIUVKVJSQ-UHFFFAOYSA-N 1 2 338.367 1.834 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000357183906 445470993 /nfs/dbraw/zinc/47/09/93/445470993.db2.gz SWOMQMYAOPUYHF-UHFFFAOYSA-N 1 2 331.464 1.418 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)no1 ZINC000349140530 445519828 /nfs/dbraw/zinc/51/98/28/445519828.db2.gz HTQGWFKAYLLKAT-CQSZACIVSA-N 1 2 342.403 1.705 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)no1 ZINC000349140530 445519831 /nfs/dbraw/zinc/51/98/31/445519831.db2.gz HTQGWFKAYLLKAT-CQSZACIVSA-N 1 2 342.403 1.705 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CC#N)C1CCCC1 ZINC000362804093 445557623 /nfs/dbraw/zinc/55/76/23/445557623.db2.gz CKMLZPOCKACDGI-MRXNPFEDSA-N 1 2 345.447 1.778 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC#N)C1CCCC1 ZINC000362804093 445557628 /nfs/dbraw/zinc/55/76/28/445557628.db2.gz CKMLZPOCKACDGI-MRXNPFEDSA-N 1 2 345.447 1.778 20 30 EDEDLO CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000353490225 445626654 /nfs/dbraw/zinc/62/66/54/445626654.db2.gz DUWIAPNRUZUVNR-OAHLLOKOSA-N 1 2 344.459 1.924 20 30 EDEDLO CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000353490225 445626657 /nfs/dbraw/zinc/62/66/57/445626657.db2.gz DUWIAPNRUZUVNR-OAHLLOKOSA-N 1 2 344.459 1.924 20 30 EDEDLO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360290763 445680057 /nfs/dbraw/zinc/68/00/57/445680057.db2.gz HIGMYEBHJILMMG-DOTOQJQBSA-N 1 2 328.416 1.465 20 30 EDEDLO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360290763 445680060 /nfs/dbraw/zinc/68/00/60/445680060.db2.gz HIGMYEBHJILMMG-DOTOQJQBSA-N 1 2 328.416 1.465 20 30 EDEDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349880327 445709822 /nfs/dbraw/zinc/70/98/22/445709822.db2.gz KPJVWUUMFRPJQR-CQSZACIVSA-N 1 2 346.479 1.416 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000349763569 445671016 /nfs/dbraw/zinc/67/10/16/445671016.db2.gz KCTFYKKCMYSKBL-ALCCZGGFSA-N 1 2 344.415 1.528 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000349953295 445731874 /nfs/dbraw/zinc/73/18/74/445731874.db2.gz AKJJDGCYBNNZEU-HUUCEWRRSA-N 1 2 336.411 1.950 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@H]1C[C@@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000349953295 445731879 /nfs/dbraw/zinc/73/18/79/445731879.db2.gz AKJJDGCYBNNZEU-HUUCEWRRSA-N 1 2 336.411 1.950 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000349953527 445733080 /nfs/dbraw/zinc/73/30/80/445733080.db2.gz CEMLNDLAMNQVSZ-HOTGVXAUSA-N 1 2 335.427 1.387 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000349953527 445733083 /nfs/dbraw/zinc/73/30/83/445733083.db2.gz CEMLNDLAMNQVSZ-HOTGVXAUSA-N 1 2 335.427 1.387 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000361007574 445743939 /nfs/dbraw/zinc/74/39/39/445743939.db2.gz ACDMYVKOWLVRMV-GFCCVEGCSA-N 1 2 341.371 2.147 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000361007574 445743946 /nfs/dbraw/zinc/74/39/46/445743946.db2.gz ACDMYVKOWLVRMV-GFCCVEGCSA-N 1 2 341.371 2.147 20 30 EDEDLO C=CCN(CC=C)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000350046101 445756336 /nfs/dbraw/zinc/75/63/36/445756336.db2.gz DHNQZMNLJDTYRV-UHFFFAOYSA-N 1 2 334.464 1.314 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnn(C)c1C#N)c1cccc(F)c1 ZINC000353850286 445782972 /nfs/dbraw/zinc/78/29/72/445782972.db2.gz HIFFONDJUYSVPZ-HNNXBMFYSA-N 1 2 338.346 1.684 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CCC[N@H+](CC(=O)OCC)CC1)OCC ZINC000363443366 445805235 /nfs/dbraw/zinc/80/52/35/445805235.db2.gz WRNSDZJZAWBGSF-OAHLLOKOSA-N 1 2 326.437 1.455 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CCC[N@@H+](CC(=O)OCC)CC1)OCC ZINC000363443366 445805238 /nfs/dbraw/zinc/80/52/38/445805238.db2.gz WRNSDZJZAWBGSF-OAHLLOKOSA-N 1 2 326.437 1.455 20 30 EDEDLO C=CCn1c(C)nnc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000350752173 445897972 /nfs/dbraw/zinc/89/79/72/445897972.db2.gz LVCUZEMDHUEHGT-ZWKOTPCHSA-N 1 2 339.443 1.862 20 30 EDEDLO C=CCn1c(C)nnc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000350752173 445897977 /nfs/dbraw/zinc/89/79/77/445897977.db2.gz LVCUZEMDHUEHGT-ZWKOTPCHSA-N 1 2 339.443 1.862 20 30 EDEDLO Cn1cc([C@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CCO2)cn1 ZINC000365922297 445908735 /nfs/dbraw/zinc/90/87/35/445908735.db2.gz PVUQHXQPZIYTFN-CQSZACIVSA-N 1 2 345.428 1.755 20 30 EDEDLO Cn1cc([C@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CCO2)cn1 ZINC000365922297 445908739 /nfs/dbraw/zinc/90/87/39/445908739.db2.gz PVUQHXQPZIYTFN-CQSZACIVSA-N 1 2 345.428 1.755 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@]2(CCCOC2)O1 ZINC000369167126 445966022 /nfs/dbraw/zinc/96/60/22/445966022.db2.gz SZHZNROTHMQSNK-BPQIPLTHSA-N 1 2 337.464 1.701 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@]2(CCCOC2)O1 ZINC000369167126 445966023 /nfs/dbraw/zinc/96/60/23/445966023.db2.gz SZHZNROTHMQSNK-BPQIPLTHSA-N 1 2 337.464 1.701 20 30 EDEDLO Cn1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1 ZINC000361844665 445999920 /nfs/dbraw/zinc/99/99/20/445999920.db2.gz KKHFNMVLAJOYGK-UHFFFAOYSA-N 1 2 325.376 1.036 20 30 EDEDLO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nnc2n1CCC2 ZINC000583376594 326060734 /nfs/dbraw/zinc/06/07/34/326060734.db2.gz VZWMXTKIUWKTNY-LBPRGKRZSA-N 1 2 345.428 1.220 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)N(C)C(=O)[C@H]3C2)cc1Cl ZINC000369406594 446117172 /nfs/dbraw/zinc/11/71/72/446117172.db2.gz BJKJLEJZBBDXIB-CQSZACIVSA-N 1 2 349.818 1.983 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)N(C)C(=O)[C@H]3C2)cc1Cl ZINC000369406594 446117173 /nfs/dbraw/zinc/11/71/73/446117173.db2.gz BJKJLEJZBBDXIB-CQSZACIVSA-N 1 2 349.818 1.983 20 30 EDEDLO C=CCOCCCC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000369678911 446146982 /nfs/dbraw/zinc/14/69/82/446146982.db2.gz BMZVCDYITWNVPR-UHFFFAOYSA-N 1 2 339.480 1.418 20 30 EDEDLO C=CCOCCCC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000369678911 446146985 /nfs/dbraw/zinc/14/69/85/446146985.db2.gz BMZVCDYITWNVPR-UHFFFAOYSA-N 1 2 339.480 1.418 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000359495044 446258408 /nfs/dbraw/zinc/25/84/08/446258408.db2.gz XPDDMQIRMCRWNO-UHFFFAOYSA-N 1 2 337.314 1.600 20 30 EDEDLO CC(C)(C(=O)NC[C@@H]1C[NH+]2CCN1CC2)c1cc(F)cc(C#N)c1 ZINC000376118788 446342217 /nfs/dbraw/zinc/34/22/17/446342217.db2.gz SGCCECOVCMKDHP-MRXNPFEDSA-N 1 2 330.407 1.091 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000374584152 446378279 /nfs/dbraw/zinc/37/82/79/446378279.db2.gz KAJDZEGHUFSMPY-KBPBESRZSA-N 1 2 337.449 1.119 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2)o1 ZINC000376291008 446416300 /nfs/dbraw/zinc/41/63/00/446416300.db2.gz SCEVMZHLONDLAW-UHFFFAOYSA-N 1 2 329.341 1.210 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)s1 ZINC000376634968 446619296 /nfs/dbraw/zinc/61/92/96/446619296.db2.gz QBZNCIVBPZRJNZ-UHFFFAOYSA-N 1 2 325.459 1.620 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)s1 ZINC000376634968 446619302 /nfs/dbraw/zinc/61/93/02/446619302.db2.gz QBZNCIVBPZRJNZ-UHFFFAOYSA-N 1 2 325.459 1.620 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000623172218 450433961 /nfs/dbraw/zinc/43/39/61/450433961.db2.gz KLLHOSZJDTVEGE-INIZCTEOSA-N 1 2 336.480 1.633 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(C)cc(C#N)c2)CCO1 ZINC000453751032 446637957 /nfs/dbraw/zinc/63/79/57/446637957.db2.gz XNIJIGBCNWFCSA-INIZCTEOSA-N 1 2 344.415 1.032 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(C)cc(C#N)c2)CCO1 ZINC000453751032 446637962 /nfs/dbraw/zinc/63/79/62/446637962.db2.gz XNIJIGBCNWFCSA-INIZCTEOSA-N 1 2 344.415 1.032 20 30 EDEDLO N#CCCn1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000438328834 446791970 /nfs/dbraw/zinc/79/19/70/446791970.db2.gz UHBCBKPJOYUYNY-UHFFFAOYSA-N 1 2 344.444 2.208 20 30 EDEDLO CN1CCO[C@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000438626211 446795679 /nfs/dbraw/zinc/79/56/79/446795679.db2.gz NXUBLXUPZFLKBC-CVEARBPZSA-N 1 2 340.345 1.952 20 30 EDEDLO CN1CCO[C@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000438626211 446795686 /nfs/dbraw/zinc/79/56/86/446795686.db2.gz NXUBLXUPZFLKBC-CVEARBPZSA-N 1 2 340.345 1.952 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000438626211 446795691 /nfs/dbraw/zinc/79/56/91/446795691.db2.gz NXUBLXUPZFLKBC-CVEARBPZSA-N 1 2 340.345 1.952 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)C[C@H]21 ZINC000438626211 446795696 /nfs/dbraw/zinc/79/56/96/446795696.db2.gz NXUBLXUPZFLKBC-CVEARBPZSA-N 1 2 340.345 1.952 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465609 446820980 /nfs/dbraw/zinc/82/09/80/446820980.db2.gz OYCFYCJYYFEPNI-CXAGYDPISA-N 1 2 331.420 1.791 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375465609 446820986 /nfs/dbraw/zinc/82/09/86/446820986.db2.gz OYCFYCJYYFEPNI-CXAGYDPISA-N 1 2 331.420 1.791 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000412355859 446946228 /nfs/dbraw/zinc/94/62/28/446946228.db2.gz LXPCVCRINCCGPG-KBXCAEBGSA-N 1 2 333.432 1.462 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000412355859 446946236 /nfs/dbraw/zinc/94/62/36/446946236.db2.gz LXPCVCRINCCGPG-KBXCAEBGSA-N 1 2 333.432 1.462 20 30 EDEDLO CCc1nc(C[N@@H+]2CCC[C@H](N(C)c3ccc(C#N)nc3)C2)no1 ZINC000368650478 447007265 /nfs/dbraw/zinc/00/72/65/447007265.db2.gz AZBGLKDKLQHZJF-HNNXBMFYSA-N 1 2 326.404 1.999 20 30 EDEDLO CCc1nc(C[N@H+]2CCC[C@H](N(C)c3ccc(C#N)nc3)C2)no1 ZINC000368650478 447007269 /nfs/dbraw/zinc/00/72/69/447007269.db2.gz AZBGLKDKLQHZJF-HNNXBMFYSA-N 1 2 326.404 1.999 20 30 EDEDLO Cc1cc(N[C@H]2CC(=O)N(CCOc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425224124 447071906 /nfs/dbraw/zinc/07/19/06/447071906.db2.gz CVFRYZLGYAEOCW-INIZCTEOSA-N 1 2 336.395 1.775 20 30 EDEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000419345220 447112582 /nfs/dbraw/zinc/11/25/82/447112582.db2.gz KMEZDXQDVQGJHF-HNNXBMFYSA-N 1 2 334.803 1.445 20 30 EDEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000419345220 447112590 /nfs/dbraw/zinc/11/25/90/447112590.db2.gz KMEZDXQDVQGJHF-HNNXBMFYSA-N 1 2 334.803 1.445 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444793197 447138175 /nfs/dbraw/zinc/13/81/75/447138175.db2.gz GWDTVPUTGINXCI-IIAWOOMASA-N 1 2 343.493 1.328 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444793197 447138177 /nfs/dbraw/zinc/13/81/77/447138177.db2.gz GWDTVPUTGINXCI-IIAWOOMASA-N 1 2 343.493 1.328 20 30 EDEDLO C=CCn1cc(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)nn1 ZINC000425353595 447125687 /nfs/dbraw/zinc/12/56/87/447125687.db2.gz LULWKQUTJIKEKE-HNNXBMFYSA-N 1 2 327.432 1.979 20 30 EDEDLO CCCNC(=O)Nc1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414151512 447278483 /nfs/dbraw/zinc/27/84/83/447278483.db2.gz QFFAVNIPORPEHY-HNNXBMFYSA-N 1 2 334.420 1.803 20 30 EDEDLO CCCNC(=O)Nc1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414151512 447278486 /nfs/dbraw/zinc/27/84/86/447278486.db2.gz QFFAVNIPORPEHY-HNNXBMFYSA-N 1 2 334.420 1.803 20 30 EDEDLO N#CC1(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC1 ZINC000450423343 447486001 /nfs/dbraw/zinc/48/60/01/447486001.db2.gz IKRSFIJMSJWYHG-UHFFFAOYSA-N 1 2 342.447 1.129 20 30 EDEDLO CNc1nc(N2CCN(c3cccc(C#N)n3)CC2)[nH+]c2ccccc21 ZINC000450436626 447488261 /nfs/dbraw/zinc/48/82/61/447488261.db2.gz HIRRYMWUNHXLDJ-UHFFFAOYSA-N 1 2 345.410 2.265 20 30 EDEDLO N#Cc1cccc(NC(=O)CN2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000394438573 447537924 /nfs/dbraw/zinc/53/79/24/447537924.db2.gz POFHFMRQRLHUQF-KRWDZBQOSA-N 1 2 328.416 1.293 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000394438573 447537929 /nfs/dbraw/zinc/53/79/29/447537929.db2.gz POFHFMRQRLHUQF-KRWDZBQOSA-N 1 2 328.416 1.293 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000394438573 447537935 /nfs/dbraw/zinc/53/79/35/447537935.db2.gz POFHFMRQRLHUQF-KRWDZBQOSA-N 1 2 328.416 1.293 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000416472063 447615548 /nfs/dbraw/zinc/61/55/48/447615548.db2.gz RZXNPFGVBBBYBC-DZGCQCFKSA-N 1 2 339.486 1.435 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000416472063 447615551 /nfs/dbraw/zinc/61/55/51/447615551.db2.gz RZXNPFGVBBBYBC-DZGCQCFKSA-N 1 2 339.486 1.435 20 30 EDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000459444101 447667684 /nfs/dbraw/zinc/66/76/84/447667684.db2.gz ACJFXWYWOVCEOF-SWLSCSKDSA-N 1 2 332.379 1.316 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000459459184 447673727 /nfs/dbraw/zinc/67/37/27/447673727.db2.gz RDTOUXJQGFWZAP-MRXNPFEDSA-N 1 2 342.359 1.085 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000459459184 447673732 /nfs/dbraw/zinc/67/37/32/447673732.db2.gz RDTOUXJQGFWZAP-MRXNPFEDSA-N 1 2 342.359 1.085 20 30 EDEDLO C#CC[N@@H+](CC#CC)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000490851189 447899599 /nfs/dbraw/zinc/89/95/99/447899599.db2.gz FOLIEOHQTQCNCO-UHFFFAOYSA-N 1 2 327.340 1.022 20 30 EDEDLO C#CC[N@H+](CC#CC)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000490851189 447899603 /nfs/dbraw/zinc/89/96/03/447899603.db2.gz FOLIEOHQTQCNCO-UHFFFAOYSA-N 1 2 327.340 1.022 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000490866089 447901526 /nfs/dbraw/zinc/90/15/26/447901526.db2.gz MDRWICUBDAOGJE-UHFFFAOYSA-N 1 2 336.439 1.303 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC)CC1 ZINC000491156391 447942821 /nfs/dbraw/zinc/94/28/21/447942821.db2.gz ZVUGURQSCCYMRR-UHFFFAOYSA-N 1 2 339.399 1.449 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2ccc(F)cc2F)n1 ZINC000491240981 447969296 /nfs/dbraw/zinc/96/92/96/447969296.db2.gz FLHWRVDEEVYSGO-GOSISDBHSA-N 1 2 349.381 1.977 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2ccc(F)cc2F)n1 ZINC000491240981 447969298 /nfs/dbraw/zinc/96/92/98/447969298.db2.gz FLHWRVDEEVYSGO-GOSISDBHSA-N 1 2 349.381 1.977 20 30 EDEDLO C=CCOC[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC ZINC000497217525 447971822 /nfs/dbraw/zinc/97/18/22/447971822.db2.gz CNQXSOIWHKJRDI-CQSZACIVSA-N 1 2 342.436 1.720 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000491430017 448026733 /nfs/dbraw/zinc/02/67/33/448026733.db2.gz XBFHPPHHIPTQMT-UHFFFAOYSA-N 1 2 347.371 1.150 20 30 EDEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cnn1-c1ccccc1F ZINC000570635920 448041031 /nfs/dbraw/zinc/04/10/31/448041031.db2.gz ZXFRTDAEUMTNHG-KRWDZBQOSA-N 1 2 329.379 1.894 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000491658535 448075755 /nfs/dbraw/zinc/07/57/55/448075755.db2.gz KJUBIPJCIBURKC-KBPBESRZSA-N 1 2 338.452 1.201 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000491658535 448075758 /nfs/dbraw/zinc/07/57/58/448075758.db2.gz KJUBIPJCIBURKC-KBPBESRZSA-N 1 2 338.452 1.201 20 30 EDEDLO Cc1cccc(N2C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC2=O)c1C ZINC000555482931 448078251 /nfs/dbraw/zinc/07/82/51/448078251.db2.gz NXZOWFCFRVMQNS-HNAYVOBHSA-N 1 2 342.443 1.616 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000491702167 448083630 /nfs/dbraw/zinc/08/36/30/448083630.db2.gz QQYQVTCUSNCOOI-AWEZNQCLSA-N 1 2 330.388 1.023 20 30 EDEDLO C#CC[NH+]1CCN(c2ccc(NCc3ccccc3F)nn2)CC1 ZINC000491793222 448126358 /nfs/dbraw/zinc/12/63/58/448126358.db2.gz KCYQYICILYQZLG-UHFFFAOYSA-N 1 2 325.391 1.983 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)NCc2ccc[nH+]c2N(C)C)n1 ZINC000491795224 448127045 /nfs/dbraw/zinc/12/70/45/448127045.db2.gz UTVJCGVKLBEJAZ-UHFFFAOYSA-N 1 2 340.431 1.709 20 30 EDEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1(C#N)CCC1 ZINC000558871406 448203883 /nfs/dbraw/zinc/20/38/83/448203883.db2.gz MCAVXSIMARPMNS-CABCVRRESA-N 1 2 325.416 1.603 20 30 EDEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1(C#N)CCC1 ZINC000558871406 448203887 /nfs/dbraw/zinc/20/38/87/448203887.db2.gz MCAVXSIMARPMNS-CABCVRRESA-N 1 2 325.416 1.603 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CC2(CCOCC2)O1 ZINC000582420974 448233643 /nfs/dbraw/zinc/23/36/43/448233643.db2.gz REGXQDSDCHDTRQ-CYBMUJFWSA-N 1 2 327.388 1.371 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC2(CCOCC2)O1 ZINC000582420974 448233649 /nfs/dbraw/zinc/23/36/49/448233649.db2.gz REGXQDSDCHDTRQ-CYBMUJFWSA-N 1 2 327.388 1.371 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c1C#N ZINC000591054805 448246264 /nfs/dbraw/zinc/24/62/64/448246264.db2.gz CRVGTKBFCLRBKH-RDTXWAMCSA-N 1 2 326.400 1.228 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c1C#N ZINC000591054805 448246267 /nfs/dbraw/zinc/24/62/67/448246267.db2.gz CRVGTKBFCLRBKH-RDTXWAMCSA-N 1 2 326.400 1.228 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)CCN1C ZINC000492722354 448267142 /nfs/dbraw/zinc/26/71/42/448267142.db2.gz UXKDJKMDYPOEGF-JTGQJZMRSA-N 1 2 335.411 1.820 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000563425354 448300576 /nfs/dbraw/zinc/30/05/76/448300576.db2.gz BCDZLCSMGTYHOG-MRXNPFEDSA-N 1 2 337.464 1.172 20 30 EDEDLO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000564843368 448342165 /nfs/dbraw/zinc/34/21/65/448342165.db2.gz CFDQDZXTRNYJIQ-DLBZAZTESA-N 1 2 345.422 1.445 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnc2ccccn12 ZINC000534288420 448439090 /nfs/dbraw/zinc/43/90/90/448439090.db2.gz HEIBYQUIVLARJB-UHFFFAOYSA-N 1 2 327.388 1.022 20 30 EDEDLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528353640 448496177 /nfs/dbraw/zinc/49/61/77/448496177.db2.gz UQQJVPKEBFTXBS-CABCVRRESA-N 1 2 326.396 1.785 20 30 EDEDLO CC[C@H]1CO[C@H](C)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528353640 448496184 /nfs/dbraw/zinc/49/61/84/448496184.db2.gz UQQJVPKEBFTXBS-CABCVRRESA-N 1 2 326.396 1.785 20 30 EDEDLO N#CC[C@@]1(O)CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000591906777 448561701 /nfs/dbraw/zinc/56/17/01/448561701.db2.gz YBPFWDMQGSPQMM-QGZVFWFLSA-N 1 2 329.404 1.242 20 30 EDEDLO C[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)[C@@H](C)O1 ZINC000528470528 448540797 /nfs/dbraw/zinc/54/07/97/448540797.db2.gz ICZUMODOFBTUHH-QLFBSQMISA-N 1 2 326.396 1.784 20 30 EDEDLO C[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)[C@@H](C)O1 ZINC000528470528 448540802 /nfs/dbraw/zinc/54/08/02/448540802.db2.gz ICZUMODOFBTUHH-QLFBSQMISA-N 1 2 326.396 1.784 20 30 EDEDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528479236 448545909 /nfs/dbraw/zinc/54/59/09/448545909.db2.gz WDLOYKLDSONLIK-SHACYNPGSA-N 1 2 344.436 1.129 20 30 EDEDLO C[C@@H]1CC[S@](=O)CC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528479236 448545913 /nfs/dbraw/zinc/54/59/13/448545913.db2.gz WDLOYKLDSONLIK-SHACYNPGSA-N 1 2 344.436 1.129 20 30 EDEDLO C=CCN(C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CC1 ZINC000517197519 448550016 /nfs/dbraw/zinc/55/00/16/448550016.db2.gz OUMCCSKSOOLACH-AWEZNQCLSA-N 1 2 331.420 1.271 20 30 EDEDLO CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1COC1 ZINC000573415933 448618842 /nfs/dbraw/zinc/61/88/42/448618842.db2.gz BKVSZESATDBBTI-HNNXBMFYSA-N 1 2 348.472 1.178 20 30 EDEDLO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1COC1 ZINC000573415933 448618852 /nfs/dbraw/zinc/61/88/52/448618852.db2.gz BKVSZESATDBBTI-HNNXBMFYSA-N 1 2 348.472 1.178 20 30 EDEDLO CC#CC[C@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592001702 448619482 /nfs/dbraw/zinc/61/94/82/448619482.db2.gz BHOHZQJDPANLCO-CQSZACIVSA-N 1 2 326.356 1.968 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCSC[C@H]2C2CC2)nc1 ZINC000573416998 448619585 /nfs/dbraw/zinc/61/95/85/448619585.db2.gz DQMFPXVORXIADM-AWEZNQCLSA-N 1 2 337.470 1.554 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCSC[C@H]2C2CC2)nc1 ZINC000573416998 448619592 /nfs/dbraw/zinc/61/95/92/448619592.db2.gz DQMFPXVORXIADM-AWEZNQCLSA-N 1 2 337.470 1.554 20 30 EDEDLO CCC[C@@H](C#N)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000567008742 448599121 /nfs/dbraw/zinc/59/91/21/448599121.db2.gz URKRFWNQAUAGRK-JJRVBVJISA-N 1 2 345.447 1.918 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccncc1C#N ZINC000592070698 448659559 /nfs/dbraw/zinc/65/95/59/448659559.db2.gz OXPRYZYBQUUGNR-GOSISDBHSA-N 1 2 346.394 1.583 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCCCSc2ccccc2)C1 ZINC000592147050 448707158 /nfs/dbraw/zinc/70/71/58/448707158.db2.gz HSWXFAHZDBCTIE-QGZVFWFLSA-N 1 2 333.457 1.635 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCCCSc2ccccc2)C1 ZINC000592147050 448707159 /nfs/dbraw/zinc/70/71/59/448707159.db2.gz HSWXFAHZDBCTIE-QGZVFWFLSA-N 1 2 333.457 1.635 20 30 EDEDLO COc1ccc(N2C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC2=O)cc1 ZINC000573776283 448707300 /nfs/dbraw/zinc/70/73/00/448707300.db2.gz UUNBWLIPVOBWKX-ACJLOTCBSA-N 1 2 344.415 1.008 20 30 EDEDLO CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149840 448710831 /nfs/dbraw/zinc/71/08/31/448710831.db2.gz XSLLAEDWFDCMKT-SFHVURJKSA-N 1 2 331.416 1.442 20 30 EDEDLO CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592149840 448710833 /nfs/dbraw/zinc/71/08/33/448710833.db2.gz XSLLAEDWFDCMKT-SFHVURJKSA-N 1 2 331.416 1.442 20 30 EDEDLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150840 448711743 /nfs/dbraw/zinc/71/17/43/448711743.db2.gz HMFBQCBLXQYYMK-INIZCTEOSA-N 1 2 338.429 1.209 20 30 EDEDLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150840 448711747 /nfs/dbraw/zinc/71/17/47/448711747.db2.gz HMFBQCBLXQYYMK-INIZCTEOSA-N 1 2 338.429 1.209 20 30 EDEDLO CN(C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1nc2ccccc2s1 ZINC000592150820 448711875 /nfs/dbraw/zinc/71/18/75/448711875.db2.gz HHTXNOZZLDXZHS-INIZCTEOSA-N 1 2 330.413 1.610 20 30 EDEDLO CN(C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1nc2ccccc2s1 ZINC000592150820 448711879 /nfs/dbraw/zinc/71/18/79/448711879.db2.gz HHTXNOZZLDXZHS-INIZCTEOSA-N 1 2 330.413 1.610 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c([N+](=O)[O-])c1 ZINC000567994708 448796326 /nfs/dbraw/zinc/79/63/26/448796326.db2.gz SFXCSPJFSRYNKV-LBPRGKRZSA-N 1 2 329.316 1.935 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c([N+](=O)[O-])c1 ZINC000567994708 448796330 /nfs/dbraw/zinc/79/63/30/448796330.db2.gz SFXCSPJFSRYNKV-LBPRGKRZSA-N 1 2 329.316 1.935 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)c([N+](=O)[O-])c1 ZINC000567994708 448796333 /nfs/dbraw/zinc/79/63/33/448796333.db2.gz SFXCSPJFSRYNKV-LBPRGKRZSA-N 1 2 329.316 1.935 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)c([N+](=O)[O-])c1 ZINC000567994708 448796334 /nfs/dbraw/zinc/79/63/34/448796334.db2.gz SFXCSPJFSRYNKV-LBPRGKRZSA-N 1 2 329.316 1.935 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccnn3CC(C)C)CC2)c1C#N ZINC000592509114 448870310 /nfs/dbraw/zinc/87/03/10/448870310.db2.gz CARKMNYYVXBQGE-UHFFFAOYSA-N 1 2 341.463 1.775 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnc(OCc2ccccc2)cn1 ZINC000581254678 448971307 /nfs/dbraw/zinc/97/13/07/448971307.db2.gz PFRMLIVGAQGJHT-SFHVURJKSA-N 1 2 339.399 1.629 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1nccc(OC)n1 ZINC000582117368 449015728 /nfs/dbraw/zinc/01/57/28/449015728.db2.gz ODVGERZNNCJFDI-OAHLLOKOSA-N 1 2 329.400 1.743 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H](C)CO1 ZINC000593063646 449119813 /nfs/dbraw/zinc/11/98/13/449119813.db2.gz UHNSJSAFNXUUHF-BBWFWOEESA-N 1 2 336.480 1.178 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H](C)CO1 ZINC000593063646 449119816 /nfs/dbraw/zinc/11/98/16/449119816.db2.gz UHNSJSAFNXUUHF-BBWFWOEESA-N 1 2 336.480 1.178 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000593154659 449153962 /nfs/dbraw/zinc/15/39/62/449153962.db2.gz QMHXBKYYVYUNRF-KRWDZBQOSA-N 1 2 334.395 1.236 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595737169 449140101 /nfs/dbraw/zinc/14/01/01/449140101.db2.gz GQYCHXDEBHXSEJ-TZMCWYRMSA-N 1 2 346.818 1.751 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595737169 449140105 /nfs/dbraw/zinc/14/01/05/449140105.db2.gz GQYCHXDEBHXSEJ-TZMCWYRMSA-N 1 2 346.818 1.751 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597996572 449181074 /nfs/dbraw/zinc/18/10/74/449181074.db2.gz JKIHVDITJSZXNP-RBSFLKMASA-N 1 2 331.416 1.551 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597996572 449181081 /nfs/dbraw/zinc/18/10/81/449181081.db2.gz JKIHVDITJSZXNP-RBSFLKMASA-N 1 2 331.416 1.551 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000611171889 449197807 /nfs/dbraw/zinc/19/78/07/449197807.db2.gz QQPZNCPUFIRAHM-AEFFLSMTSA-N 1 2 347.484 1.694 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000611171890 449197891 /nfs/dbraw/zinc/19/78/91/449197891.db2.gz QQPZNCPUFIRAHM-FUHWJXTLSA-N 1 2 347.484 1.694 20 30 EDEDLO Cn1cccc1C(=O)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000604271905 449199039 /nfs/dbraw/zinc/19/90/39/449199039.db2.gz WDWGWHRDCFHCPV-UHFFFAOYSA-N 1 2 338.411 1.734 20 30 EDEDLO C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000611173885 449199507 /nfs/dbraw/zinc/19/95/07/449199507.db2.gz POSKNVZLAZEYAA-DLBZAZTESA-N 1 2 328.460 1.826 20 30 EDEDLO COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611173761 449200099 /nfs/dbraw/zinc/20/00/99/449200099.db2.gz JMOWGGDFHGFWBJ-OAHLLOKOSA-N 1 2 330.432 1.404 20 30 EDEDLO C[C@@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1[nH+]ccn1C ZINC000595845802 449203474 /nfs/dbraw/zinc/20/34/74/449203474.db2.gz RBRVSFSRVRPEQE-CYBMUJFWSA-N 1 2 339.403 1.280 20 30 EDEDLO C=CCc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C(=O)OC)C2)cc(OC)c1O ZINC000600196672 449238496 /nfs/dbraw/zinc/23/84/96/449238496.db2.gz FCCJVZNSJWEIEF-WBMJQRKESA-N 1 2 335.400 1.892 20 30 EDEDLO C=CCc1cc(C[N@H+]2C[C@@H](C)O[C@H](C(=O)OC)C2)cc(OC)c1O ZINC000600196672 449238502 /nfs/dbraw/zinc/23/85/02/449238502.db2.gz FCCJVZNSJWEIEF-WBMJQRKESA-N 1 2 335.400 1.892 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nn(C)c2ccccc12 ZINC000611285807 449251226 /nfs/dbraw/zinc/25/12/26/449251226.db2.gz VKJMXJMDWDGXJD-AWEZNQCLSA-N 1 2 347.426 1.946 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nn(C)c2ccccc12 ZINC000611285807 449251231 /nfs/dbraw/zinc/25/12/31/449251231.db2.gz VKJMXJMDWDGXJD-AWEZNQCLSA-N 1 2 347.426 1.946 20 30 EDEDLO CN1CCCC[C@H]([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1=O ZINC000601970975 449253259 /nfs/dbraw/zinc/25/32/59/449253259.db2.gz SCYGHLAERSUCGQ-INIZCTEOSA-N 1 2 328.416 1.117 20 30 EDEDLO CN1CCCC[C@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1=O ZINC000601970975 449253267 /nfs/dbraw/zinc/25/32/67/449253267.db2.gz SCYGHLAERSUCGQ-INIZCTEOSA-N 1 2 328.416 1.117 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000593887850 449265027 /nfs/dbraw/zinc/26/50/27/449265027.db2.gz YNDBGIWUMCQZKA-SFHVURJKSA-N 1 2 335.448 1.268 20 30 EDEDLO CN(C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[C@H]1C#N ZINC000602078554 449326180 /nfs/dbraw/zinc/32/61/80/449326180.db2.gz WMUHZISQYRJBTP-XJKSGUPXSA-N 1 2 337.383 1.961 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000611512761 449316646 /nfs/dbraw/zinc/31/66/46/449316646.db2.gz XSFJOMDHMAZQAM-KRWDZBQOSA-N 1 2 338.415 1.573 20 30 EDEDLO CCc1c[nH]c(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[nH+]1 ZINC000602096370 449341274 /nfs/dbraw/zinc/34/12/74/449341274.db2.gz NDUHOFXJHXKQCP-UHFFFAOYSA-N 1 2 338.415 1.566 20 30 EDEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3cc(C#N)cnn3)CC2)CC1 ZINC000596109916 449365161 /nfs/dbraw/zinc/36/51/61/449365161.db2.gz HFCMRTALKSKEDW-UHFFFAOYSA-N 1 2 342.447 1.165 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](CC(F)F)CC1 ZINC000596239524 449434720 /nfs/dbraw/zinc/43/47/20/449434720.db2.gz RVJPXAAYNLUAMO-UHFFFAOYSA-N 1 2 325.319 2.250 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594218168 449393812 /nfs/dbraw/zinc/39/38/12/449393812.db2.gz GXLOWXHMAFOBLI-UHFFFAOYSA-N 1 2 328.416 1.694 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594218168 449393816 /nfs/dbraw/zinc/39/38/16/449393816.db2.gz GXLOWXHMAFOBLI-UHFFFAOYSA-N 1 2 328.416 1.694 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCc2cscn2)c1=O ZINC000596284412 449456282 /nfs/dbraw/zinc/45/62/82/449456282.db2.gz DMPKYZTUTDTFJF-UHFFFAOYSA-N 1 2 330.413 1.251 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCOc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000596408302 449491375 /nfs/dbraw/zinc/49/13/75/449491375.db2.gz JPUXRVLADURPDR-HUUCEWRRSA-N 1 2 346.431 1.345 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCOc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000596408302 449491381 /nfs/dbraw/zinc/49/13/81/449491381.db2.gz JPUXRVLADURPDR-HUUCEWRRSA-N 1 2 346.431 1.345 20 30 EDEDLO Cn1ncc2c1nc(N)[nH+]c2NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000594548753 449570785 /nfs/dbraw/zinc/57/07/85/449570785.db2.gz BLDHMNYJJKVSNN-UHFFFAOYSA-N 1 2 349.402 1.293 20 30 EDEDLO N#Cc1cccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)n1 ZINC000602452289 449598215 /nfs/dbraw/zinc/59/82/15/449598215.db2.gz URUAQIIVCZDEPV-UHFFFAOYSA-N 1 2 332.358 1.863 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2cccc(C#N)n2)C1 ZINC000602453655 449600928 /nfs/dbraw/zinc/60/09/28/449600928.db2.gz IPXFUWJPCYXGIP-AWEZNQCLSA-N 1 2 344.415 1.187 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2cccc(C#N)n2)C1 ZINC000602453655 449600933 /nfs/dbraw/zinc/60/09/33/449600933.db2.gz IPXFUWJPCYXGIP-AWEZNQCLSA-N 1 2 344.415 1.187 20 30 EDEDLO C=CCCSCCNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000596722314 449622072 /nfs/dbraw/zinc/62/20/72/449622072.db2.gz UCUCBUXMPOMTOA-INIZCTEOSA-N 1 2 340.537 1.717 20 30 EDEDLO CC(C)n1ncnc1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000601118686 449700164 /nfs/dbraw/zinc/70/01/64/449700164.db2.gz PUYFROGWVIPVMY-INIZCTEOSA-N 1 2 338.415 1.621 20 30 EDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ncc(C#N)c2ccsc21 ZINC000601126282 449704938 /nfs/dbraw/zinc/70/49/38/449704938.db2.gz PFAVUTJUGLWKKN-ZDUSSCGKSA-N 1 2 332.429 1.297 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000599230756 449816646 /nfs/dbraw/zinc/81/66/46/449816646.db2.gz ULGNWMKRKPLRQC-IPMKNSEASA-N 1 2 339.439 1.647 20 30 EDEDLO CCOC(=O)C[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000599281121 449857154 /nfs/dbraw/zinc/85/71/54/449857154.db2.gz FMXBFZGKVKGNAW-CQSZACIVSA-N 1 2 335.379 1.133 20 30 EDEDLO CN(C)c1[nH+]cccc1CNC(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597187183 449863550 /nfs/dbraw/zinc/86/35/50/449863550.db2.gz LTWWWQSWKHIVBI-UHFFFAOYSA-N 1 2 343.431 1.354 20 30 EDEDLO COc1ccc(NC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c(OC)c1 ZINC000602856422 449864448 /nfs/dbraw/zinc/86/44/48/449864448.db2.gz LKNTWWSFYUIWQC-ZIAGYGMSSA-N 1 2 346.431 1.560 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccccc2CC#N)C1 ZINC000601378816 449893613 /nfs/dbraw/zinc/89/36/13/449893613.db2.gz OQZOTSLRQFDVRV-AWEZNQCLSA-N 1 2 330.413 1.664 20 30 EDEDLO C[C@H](NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1[nH+]ccn1C ZINC000595220129 449955739 /nfs/dbraw/zinc/95/57/39/449955739.db2.gz UCVBJSOGXUSVSR-NSHDSACASA-N 1 2 342.403 1.664 20 30 EDEDLO N#Cc1ccc(C2CC[NH+](CC(=O)NCC(F)(F)F)CC2)nc1 ZINC000602907235 449912018 /nfs/dbraw/zinc/91/20/18/449912018.db2.gz QMIUPEBVPNLZHK-UHFFFAOYSA-N 1 2 326.322 1.811 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601449504 449972622 /nfs/dbraw/zinc/97/26/22/449972622.db2.gz QUBLZLPPZBIMQO-CZUORRHYSA-N 1 2 337.445 1.211 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601449504 449972629 /nfs/dbraw/zinc/97/26/29/449972629.db2.gz QUBLZLPPZBIMQO-CZUORRHYSA-N 1 2 337.445 1.211 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000595288170 450004152 /nfs/dbraw/zinc/00/41/52/450004152.db2.gz LAEUZOJHFZJJJC-BHYGNILZSA-N 1 2 339.443 1.523 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597501726 450065155 /nfs/dbraw/zinc/06/51/55/450065155.db2.gz RAKKRMDRCVQAOT-AWEZNQCLSA-N 1 2 340.383 1.981 20 30 EDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](CCOc2ccccc2C#N)C1 ZINC000599581561 450082008 /nfs/dbraw/zinc/08/20/08/450082008.db2.gz QKENYFOZYGOVPV-HUUCEWRRSA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000599581561 450082011 /nfs/dbraw/zinc/08/20/11/450082011.db2.gz QKENYFOZYGOVPV-HUUCEWRRSA-N 1 2 346.383 1.364 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)N1CCc2[nH]c[nH+]c2C12CCOCC2 ZINC000601654120 450145066 /nfs/dbraw/zinc/14/50/66/450145066.db2.gz OKVFYNOANOVCRE-UHFFFAOYSA-N 1 2 337.383 1.689 20 30 EDEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC(Nc3cccc(C#N)c3)C1)CC2 ZINC000601677995 450163653 /nfs/dbraw/zinc/16/36/53/450163653.db2.gz OSKGXPSTXSKJEU-OAHLLOKOSA-N 1 2 335.411 1.949 20 30 EDEDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCCCCC#N)C1 ZINC000595487408 450177776 /nfs/dbraw/zinc/17/77/76/450177776.db2.gz HXAOVNIPWUNIJK-GOSISDBHSA-N 1 2 343.475 1.796 20 30 EDEDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCCCCC#N)C1 ZINC000595487408 450177783 /nfs/dbraw/zinc/17/77/83/450177783.db2.gz HXAOVNIPWUNIJK-GOSISDBHSA-N 1 2 343.475 1.796 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615546402 450137126 /nfs/dbraw/zinc/13/71/26/450137126.db2.gz YNLWNURCOQITAV-OAHLLOKOSA-N 1 2 331.416 1.583 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000615686963 450199003 /nfs/dbraw/zinc/19/90/03/450199003.db2.gz DVUWVUKWOIFGKC-KRWDZBQOSA-N 1 2 338.411 1.992 20 30 EDEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000619719319 450319258 /nfs/dbraw/zinc/31/92/58/450319258.db2.gz OKYDSSFMVSQEFV-GPANFISMSA-N 1 2 337.464 1.027 20 30 EDEDLO N#Cc1csc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)c1 ZINC000619872668 450349234 /nfs/dbraw/zinc/34/92/34/450349234.db2.gz FYAAMFOTCHQVSF-UHFFFAOYSA-N 1 2 331.401 1.919 20 30 EDEDLO N#Cc1cnc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000610907562 450377073 /nfs/dbraw/zinc/37/70/73/450377073.db2.gz FFIHDFQQAIQIHK-CYBMUJFWSA-N 1 2 334.807 1.543 20 30 EDEDLO N#CCc1cccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000619480198 450485685 /nfs/dbraw/zinc/48/56/85/450485685.db2.gz QNGHWOQQCMRLOM-UHFFFAOYSA-N 1 2 330.413 1.975 20 30 EDEDLO C=CCCn1cc(C(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)nn1 ZINC000616873820 450507813 /nfs/dbraw/zinc/50/78/13/450507813.db2.gz SMTODMDPMHBRCX-CYBMUJFWSA-N 1 2 332.408 1.077 20 30 EDEDLO C=CCOCCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000620723714 450533204 /nfs/dbraw/zinc/53/32/04/450533204.db2.gz PQZNWVFLVULGIA-IBGZPJMESA-N 1 2 345.487 1.902 20 30 EDEDLO C=CCOCCCC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000620723714 450533206 /nfs/dbraw/zinc/53/32/06/450533206.db2.gz PQZNWVFLVULGIA-IBGZPJMESA-N 1 2 345.487 1.902 20 30 EDEDLO NC(=O)C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000626079346 450570355 /nfs/dbraw/zinc/57/03/55/450570355.db2.gz DHHWYIAKOVZZNI-CQSZACIVSA-N 1 2 326.318 1.633 20 30 EDEDLO NC(=O)C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000626079346 450570356 /nfs/dbraw/zinc/57/03/56/450570356.db2.gz DHHWYIAKOVZZNI-CQSZACIVSA-N 1 2 326.318 1.633 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cc(C(C)(C)C)nn2C)nn1 ZINC000640961875 451706855 /nfs/dbraw/zinc/70/68/55/451706855.db2.gz JNGZKOTWEOJCCJ-UHFFFAOYSA-N 1 2 343.435 1.061 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)NC2(c3ccccc3)CCC2)nn1 ZINC000640981454 451719945 /nfs/dbraw/zinc/71/99/45/451719945.db2.gz ZWJCFDXHEXLWNC-UHFFFAOYSA-N 1 2 337.427 1.587 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COCc2ccccc2Cl)nn1 ZINC000641197062 451776217 /nfs/dbraw/zinc/77/62/17/451776217.db2.gz KHMJOQOKODGWBJ-INIZCTEOSA-N 1 2 348.834 1.622 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000637196695 451753488 /nfs/dbraw/zinc/75/34/88/451753488.db2.gz VMDQNCGTQCIQHE-UHFFFAOYSA-N 1 2 339.480 1.322 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000637196695 451753491 /nfs/dbraw/zinc/75/34/91/451753491.db2.gz VMDQNCGTQCIQHE-UHFFFAOYSA-N 1 2 339.480 1.322 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000645127734 452166709 /nfs/dbraw/zinc/16/67/09/452166709.db2.gz JSZMBHSVXGUBKP-SFHVURJKSA-N 1 2 345.443 1.092 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)nn1 ZINC000657494289 452277632 /nfs/dbraw/zinc/27/76/32/452277632.db2.gz FEDGPCREDXHVQZ-INIZCTEOSA-N 1 2 329.379 1.888 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000666024802 452538761 /nfs/dbraw/zinc/53/87/61/452538761.db2.gz ZUVZZXAKOGFSLA-MRXNPFEDSA-N 1 2 346.431 1.005 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656058888 452825190 /nfs/dbraw/zinc/82/51/90/452825190.db2.gz FJHQZNJVJDTVJY-SOUVJXGZSA-N 1 2 325.453 1.025 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656058888 452825195 /nfs/dbraw/zinc/82/51/95/452825195.db2.gz FJHQZNJVJDTVJY-SOUVJXGZSA-N 1 2 325.453 1.025 20 30 EDEDLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000646031247 453028656 /nfs/dbraw/zinc/02/86/56/453028656.db2.gz SQNVOGANECFCBU-KBXCAEBGSA-N 1 2 333.432 1.846 20 30 EDEDLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000646031247 453028661 /nfs/dbraw/zinc/02/86/61/453028661.db2.gz SQNVOGANECFCBU-KBXCAEBGSA-N 1 2 333.432 1.846 20 30 EDEDLO CC(=O)NCC[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000646045360 453048816 /nfs/dbraw/zinc/04/88/16/453048816.db2.gz OMJDXKIZINJXOI-UHFFFAOYSA-N 1 2 326.400 1.806 20 30 EDEDLO CC(=O)NCC[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000646045360 453048824 /nfs/dbraw/zinc/04/88/24/453048824.db2.gz OMJDXKIZINJXOI-UHFFFAOYSA-N 1 2 326.400 1.806 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000644338270 453319438 /nfs/dbraw/zinc/31/94/38/453319438.db2.gz FZMMBDVMVDXTHC-CVEARBPZSA-N 1 2 332.448 1.436 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000644338270 453319446 /nfs/dbraw/zinc/31/94/46/453319446.db2.gz FZMMBDVMVDXTHC-CVEARBPZSA-N 1 2 332.448 1.436 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2nccn2C)CC1 ZINC000644338270 453319454 /nfs/dbraw/zinc/31/94/54/453319454.db2.gz FZMMBDVMVDXTHC-CVEARBPZSA-N 1 2 332.448 1.436 20 30 EDEDLO C=C(CC)CNC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000665063047 453561475 /nfs/dbraw/zinc/56/14/75/453561475.db2.gz KNJVVCNDJJVQDO-LJQANCHMSA-N 1 2 347.459 1.515 20 30 EDEDLO C=C(CC)CNC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000665063047 453561479 /nfs/dbraw/zinc/56/14/79/453561479.db2.gz KNJVVCNDJJVQDO-LJQANCHMSA-N 1 2 347.459 1.515 20 30 EDEDLO C=CCC1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCC1 ZINC000449855603 486698156 /nfs/dbraw/zinc/69/81/56/486698156.db2.gz MEKKEQULTWHUGL-UHFFFAOYSA-N 1 2 332.448 2.290 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672781919 486799498 /nfs/dbraw/zinc/79/94/98/486799498.db2.gz GMHGGNKDBMQCQR-CVEARBPZSA-N 1 2 337.464 1.171 20 30 EDEDLO C=C[C@H](CC(=O)N1CC[NH+](CC(=O)N(C)C)CC1)c1ccccc1 ZINC000677503914 487106248 /nfs/dbraw/zinc/10/62/48/487106248.db2.gz OKZYPHHJFSVZNE-MRXNPFEDSA-N 1 2 329.444 1.579 20 30 EDEDLO COCC#CC[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000677818118 487174507 /nfs/dbraw/zinc/17/45/07/487174507.db2.gz ZQNLSCHUGLAXKP-UHFFFAOYSA-N 1 2 328.459 1.141 20 30 EDEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1 ZINC000678049022 487234502 /nfs/dbraw/zinc/23/45/02/487234502.db2.gz AXZNLCGKULHENO-SJLPKXTDSA-N 1 2 332.444 1.844 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CCN1C ZINC000280199823 486463461 /nfs/dbraw/zinc/46/34/61/486463461.db2.gz FWWJKZVHRBUJOI-HNNXBMFYSA-N 1 2 326.360 1.693 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000111885884 526938413 /nfs/dbraw/zinc/93/84/13/526938413.db2.gz UCRXVTCIFLACOP-UHFFFAOYSA-N 1 2 333.432 1.725 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000111456391 526944655 /nfs/dbraw/zinc/94/46/55/526944655.db2.gz ONDMVTMHPGGMMV-OAHLLOKOSA-N 1 2 333.432 1.771 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000173790855 527112869 /nfs/dbraw/zinc/11/28/69/527112869.db2.gz KIGQENHZAREMKK-CYBMUJFWSA-N 1 2 335.379 1.680 20 30 EDEDLO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246436758 536566997 /nfs/dbraw/zinc/56/69/97/536566997.db2.gz KQYFUWUSMHWAHT-GTNSWQLSSA-N 1 2 333.388 1.980 20 30 EDEDLO COC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246436758 536567003 /nfs/dbraw/zinc/56/70/03/536567003.db2.gz KQYFUWUSMHWAHT-GTNSWQLSSA-N 1 2 333.388 1.980 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)NCc1[nH+]ccn1C ZINC000264281557 536880448 /nfs/dbraw/zinc/88/04/48/536880448.db2.gz ILIBKUZWVTYQLL-UHFFFAOYSA-N 1 2 328.372 1.776 20 30 EDEDLO C#CCN(CC#CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000742130655 579435961 /nfs/dbraw/zinc/43/59/61/579435961.db2.gz LMDXCOYNEWAWKH-KRWDZBQOSA-N 1 2 341.430 1.821 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(Cc2noc(C)n2)C(C)=O)C1 ZINC000742228619 579443803 /nfs/dbraw/zinc/44/38/03/579443803.db2.gz FCEAUOROBIHROL-GFCCVEGCSA-N 1 2 343.225 1.709 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(Cc2noc(C)n2)C(C)=O)C1 ZINC000742228619 579443804 /nfs/dbraw/zinc/44/38/04/579443804.db2.gz FCEAUOROBIHROL-GFCCVEGCSA-N 1 2 343.225 1.709 20 30 EDEDLO Cc1nnc([C@H](C)ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000742356939 579449685 /nfs/dbraw/zinc/44/96/85/579449685.db2.gz KBRHWKYZABTQLO-LBPRGKRZSA-N 1 2 345.403 1.608 20 30 EDEDLO COCCCCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000742357136 579449736 /nfs/dbraw/zinc/44/97/36/579449736.db2.gz PFKJHSWXXMEZEE-UHFFFAOYSA-N 1 2 335.448 1.972 20 30 EDEDLO COc1cccc(C(N)=[NH+]OCC(=O)NCc2ccc(C#N)cc2)c1 ZINC000742365449 579449989 /nfs/dbraw/zinc/44/99/89/579449989.db2.gz TZEHLVIHIIMHLK-UHFFFAOYSA-N 1 2 338.367 1.730 20 30 EDEDLO N#Cc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737730518 578304110 /nfs/dbraw/zinc/30/41/10/578304110.db2.gz MPCBJWKXIUEJFU-OAHLLOKOSA-N 1 2 333.355 1.055 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1sc(C)nc1C ZINC000726736214 578356748 /nfs/dbraw/zinc/35/67/48/578356748.db2.gz DTIOLUKOKDWVKX-UHFFFAOYSA-N 1 2 341.506 1.280 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(-c2ccoc2C)nn1CCO ZINC000730283715 578639725 /nfs/dbraw/zinc/63/97/25/578639725.db2.gz MZOFQICAHYDGLU-INIZCTEOSA-N 1 2 342.399 1.480 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(-c2ccoc2C)nn1CCO ZINC000730283715 578639727 /nfs/dbraw/zinc/63/97/27/578639727.db2.gz MZOFQICAHYDGLU-INIZCTEOSA-N 1 2 342.399 1.480 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)oc(C)c2C)CC1 ZINC000733148963 578744846 /nfs/dbraw/zinc/74/48/46/578744846.db2.gz RHYVBDJPVKZANU-UHFFFAOYSA-N 1 2 331.416 1.102 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)oc(C)c2C)CC1 ZINC000733148963 578744848 /nfs/dbraw/zinc/74/48/48/578744848.db2.gz RHYVBDJPVKZANU-UHFFFAOYSA-N 1 2 331.416 1.102 20 30 EDEDLO Cn1cc(N2CC[C@@H](O[NH+]=C(N)c3ccc(Cl)cc3)C2=O)cn1 ZINC000733304170 578756855 /nfs/dbraw/zinc/75/68/55/578756855.db2.gz FVCDTPUUKPREFA-CYBMUJFWSA-N 1 2 333.779 1.516 20 30 EDEDLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(C)(C)C ZINC000760917911 580041490 /nfs/dbraw/zinc/04/14/90/580041490.db2.gz YAGABUFKDIAWAB-GOEBONIOSA-N 1 2 334.416 1.865 20 30 EDEDLO C=CCN1CC(=O)N([C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1=O ZINC000760973770 580043087 /nfs/dbraw/zinc/04/30/87/580043087.db2.gz YSSOQJSILKZKBJ-QGZVFWFLSA-N 1 2 343.427 1.819 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000735693213 578911970 /nfs/dbraw/zinc/91/19/70/578911970.db2.gz XSFHWYOXELTVTE-INIZCTEOSA-N 1 2 343.410 1.672 20 30 EDEDLO Cc1c(C(=O)C=Cc2[nH]cc[nH+]2)cnn1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737203459 579056482 /nfs/dbraw/zinc/05/64/82/579056482.db2.gz UJQMPBHSVJWZFQ-VOTSOKGWSA-N 1 2 346.354 1.980 20 30 EDEDLO C[C@H]1CC(=NNS(=O)(=O)c2ccc(Br)cc2)C[N@@H+]1C ZINC000761793881 580061933 /nfs/dbraw/zinc/06/19/33/580061933.db2.gz ORHVTYNZVHMMSY-VIFPVBQESA-N 1 2 346.250 1.807 20 30 EDEDLO C[C@H]1CC(=NNS(=O)(=O)c2ccc(Br)cc2)C[N@H+]1C ZINC000761793881 580061934 /nfs/dbraw/zinc/06/19/34/580061934.db2.gz ORHVTYNZVHMMSY-VIFPVBQESA-N 1 2 346.250 1.807 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2(c3ccc(OC)cc3)CCOCC2)CC1 ZINC000744419071 579510012 /nfs/dbraw/zinc/51/00/12/579510012.db2.gz MICQSDBGZMVSRE-UHFFFAOYSA-N 1 2 342.439 1.521 20 30 EDEDLO N#Cc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)c(F)c2)cc1 ZINC000746091438 579571700 /nfs/dbraw/zinc/57/17/00/579571700.db2.gz FYXHZIYELLFWCM-UHFFFAOYSA-N 1 2 344.321 1.999 20 30 EDEDLO CCN(CC)C(=O)CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000747831215 579660026 /nfs/dbraw/zinc/66/00/26/579660026.db2.gz DRDXXHLBBAVPFK-UHFFFAOYSA-N 1 2 348.447 1.024 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000748454056 579686847 /nfs/dbraw/zinc/68/68/47/579686847.db2.gz BNODABTVMHYLOI-IUODEOHRSA-N 1 2 331.372 1.149 20 30 EDEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000748454056 579686849 /nfs/dbraw/zinc/68/68/49/579686849.db2.gz BNODABTVMHYLOI-IUODEOHRSA-N 1 2 331.372 1.149 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC000754847977 579914216 /nfs/dbraw/zinc/91/42/16/579914216.db2.gz ZYSJXTWJPLWILT-INIZCTEOSA-N 1 2 340.345 1.690 20 30 EDEDLO COc1ccc([C@]2(C)NC(=O)N(N=Cc3c[nH+]cn3C)C2=O)cc1 ZINC000755555181 579929485 /nfs/dbraw/zinc/92/94/85/579929485.db2.gz QMNICGLXKMDKIG-INIZCTEOSA-N 1 2 327.344 1.230 20 30 EDEDLO CCCCN=Nc1ncccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000755731758 579933612 /nfs/dbraw/zinc/93/36/12/579933612.db2.gz WVWKEEKAEFATMT-UHFFFAOYSA-N 1 2 325.438 1.216 20 30 EDEDLO CCCCN(C)C(=O)C1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758191614 579976523 /nfs/dbraw/zinc/97/65/23/579976523.db2.gz PHZIPWLKFUBETB-UHFFFAOYSA-N 1 2 330.432 1.648 20 30 EDEDLO C#CCNC(=S)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000758219604 579977155 /nfs/dbraw/zinc/97/71/55/579977155.db2.gz XLEWRTWRWMIHPW-UHFFFAOYSA-N 1 2 347.875 1.613 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000764076182 580112776 /nfs/dbraw/zinc/11/27/76/580112776.db2.gz IUGONBUXKITOBW-BZSNNMDCSA-N 1 2 347.409 1.924 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000764076182 580112777 /nfs/dbraw/zinc/11/27/77/580112777.db2.gz IUGONBUXKITOBW-BZSNNMDCSA-N 1 2 347.409 1.924 20 30 EDEDLO N#Cc1ccc(NCCNc2cc(N3CCOCC3)nc[nH+]2)nc1 ZINC000764769725 580128408 /nfs/dbraw/zinc/12/84/08/580128408.db2.gz PLJFSYRGFKKJHN-UHFFFAOYSA-N 1 2 325.376 1.104 20 30 EDEDLO N#Cc1ccc(NCCNc2cc(N3CCOCC3)[nH+]cn2)nc1 ZINC000764769725 580128409 /nfs/dbraw/zinc/12/84/09/580128409.db2.gz PLJFSYRGFKKJHN-UHFFFAOYSA-N 1 2 325.376 1.104 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2C#N)C1 ZINC000767655903 580196202 /nfs/dbraw/zinc/19/62/02/580196202.db2.gz ROXAGFZMSZUXRF-GFCCVEGCSA-N 1 2 348.403 1.999 20 30 EDEDLO Cn1ncc2c1nc(N[NH+]=Cc1ccc(N3CCCC3)nc1)[nH]c2=O ZINC000769817535 580245986 /nfs/dbraw/zinc/24/59/86/580245986.db2.gz NCLAFBSOGKQXRJ-UHFFFAOYSA-N 1 2 338.375 1.510 20 30 EDEDLO C[N@H+](CC(=O)OCC(=O)Nc1ccc(CC#N)cc1)[C@H]1CCSC1 ZINC000772051562 580301960 /nfs/dbraw/zinc/30/19/60/580301960.db2.gz UTYAAFQRPSJHPR-HNNXBMFYSA-N 1 2 347.440 1.672 20 30 EDEDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccc(CC#N)cc1)[C@H]1CCSC1 ZINC000772051562 580301961 /nfs/dbraw/zinc/30/19/61/580301961.db2.gz UTYAAFQRPSJHPR-HNNXBMFYSA-N 1 2 347.440 1.672 20 30 EDEDLO Cc1ccc2[nH+]cc(CN=Nc3ccccc3S(N)(=O)=O)n2c1 ZINC000773113562 580327543 /nfs/dbraw/zinc/32/75/43/580327543.db2.gz LGBANMSXPSZOST-UHFFFAOYSA-N 1 2 329.385 1.736 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccc(N(CC)CC)[nH+]c1)[C@H]1CCCO1 ZINC000773212066 580330553 /nfs/dbraw/zinc/33/05/53/580330553.db2.gz GTSOSOSLSSOBNO-JKSUJKDBSA-N 1 2 330.432 1.908 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCCO1 ZINC000773563837 580341583 /nfs/dbraw/zinc/34/15/83/580341583.db2.gz UXPGFNIUFXLAFB-HZPDHXFCSA-N 1 2 333.457 1.756 20 30 EDEDLO C#C[C@@H]([NH2+]CC(=O)Nc1nnc(-c2sccc2C)o1)[C@H]1CCCO1 ZINC000775789006 580400456 /nfs/dbraw/zinc/40/04/56/580400456.db2.gz AEBJSVXLXXGOSE-VXGBXAGGSA-N 1 2 346.412 1.815 20 30 EDEDLO COc1cc(C)[nH+]c(CN=Nc2nccc(N3CCOCC3)n2)c1 ZINC000776778782 580429038 /nfs/dbraw/zinc/42/90/38/580429038.db2.gz WUBAJJRDFDDRHH-UHFFFAOYSA-N 1 2 328.376 1.471 20 30 EDEDLO C[C@@H]1C[NH+]=C(NN=Cc2cn(-c3cccc(Cl)c3Cl)nn2)N1 ZINC000779792075 580497377 /nfs/dbraw/zinc/49/73/77/580497377.db2.gz IWBIEAOKUUPQHH-MRVPVSSYSA-N 1 2 338.202 1.845 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000780091043 580512533 /nfs/dbraw/zinc/51/25/33/580512533.db2.gz DEVHNEKOHZQQSV-WMZOPIPTSA-N 1 2 331.416 1.887 20 30 EDEDLO N#Cc1ccc([C@@H](O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000780871678 580536236 /nfs/dbraw/zinc/53/62/36/580536236.db2.gz BHPYVOGMUDNMMS-GOSISDBHSA-N 1 2 336.395 1.903 20 30 EDEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000781085509 580541592 /nfs/dbraw/zinc/54/15/92/580541592.db2.gz OMUKAMKWDQQKQZ-HOTGVXAUSA-N 1 2 326.485 1.710 20 30 EDEDLO C[C@@H](C=NNC(=S)NCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000783797446 580606626 /nfs/dbraw/zinc/60/66/26/580606626.db2.gz UXMPCPXZAXIVSX-OAHLLOKOSA-N 1 2 334.489 1.647 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN(CCC#N)Cc2cccnc2)C1 ZINC000783973540 580609670 /nfs/dbraw/zinc/60/96/70/580609670.db2.gz NCDDDVJOUVQVAC-MRXNPFEDSA-N 1 2 338.415 1.504 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000784917999 580631866 /nfs/dbraw/zinc/63/18/66/580631866.db2.gz KKCDJLZZILNZHO-MAUKXSAKSA-N 1 2 343.427 1.791 20 30 EDEDLO CO[C@@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000787222024 580689794 /nfs/dbraw/zinc/68/97/94/580689794.db2.gz VQCMABIKVDFHTH-QGZVFWFLSA-N 1 2 329.400 1.606 20 30 EDEDLO C=CC[C@@H](NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccncc1 ZINC000789752615 580752694 /nfs/dbraw/zinc/75/26/94/580752694.db2.gz JRMBHRUYAWZINS-UKRRQHHQSA-N 1 2 327.388 1.216 20 30 EDEDLO C[C@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CC2(CCOCC2)O1 ZINC000790383642 580767997 /nfs/dbraw/zinc/76/79/97/580767997.db2.gz FGMWQLMVNBQREH-AWEZNQCLSA-N 1 2 343.427 1.436 20 30 EDEDLO C[C@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CC2(CCOCC2)O1 ZINC000790383642 580767998 /nfs/dbraw/zinc/76/79/98/580767998.db2.gz FGMWQLMVNBQREH-AWEZNQCLSA-N 1 2 343.427 1.436 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C[C@@H]21 ZINC000794970495 580909413 /nfs/dbraw/zinc/90/94/13/580909413.db2.gz FNCMVHHULNFEOF-IMRBUKKESA-N 1 2 333.413 1.526 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C[C@@H]21 ZINC000794970495 580909414 /nfs/dbraw/zinc/90/94/14/580909414.db2.gz FNCMVHHULNFEOF-IMRBUKKESA-N 1 2 333.413 1.526 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@](C)(O)CSc2cccc(F)c2)CC1 ZINC000796430638 580953778 /nfs/dbraw/zinc/95/37/78/580953778.db2.gz UDUKSEBPNKDWMP-KRWDZBQOSA-N 1 2 336.432 1.446 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000798198148 580990475 /nfs/dbraw/zinc/99/04/75/580990475.db2.gz WTTZFQJSRXAVLJ-HSZRJFAPSA-N 1 2 334.401 1.307 20 30 EDEDLO COC(=O)c1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c[nH]1 ZINC000798274309 580992770 /nfs/dbraw/zinc/99/27/70/580992770.db2.gz CFDCHNSJCUZUTL-JSGCOSHPSA-N 1 2 348.403 1.650 20 30 EDEDLO Cc1cccc(CCCOCCOC(=O)[C@H](C)n2cnc(C#N)n2)[nH+]1 ZINC000798348470 580994964 /nfs/dbraw/zinc/99/49/64/580994964.db2.gz MDJBTWXIWOTKRB-AWEZNQCLSA-N 1 2 343.387 1.607 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@H](c3cccc(C)c3)CC2=O)C1=O ZINC000799142078 581018585 /nfs/dbraw/zinc/01/85/85/581018585.db2.gz JVKLEASDJVREPB-QZTJIDSGSA-N 1 2 341.455 1.987 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@H](c3cccc(C)c3)CC2=O)C1=O ZINC000799142078 581018586 /nfs/dbraw/zinc/01/85/86/581018586.db2.gz JVKLEASDJVREPB-QZTJIDSGSA-N 1 2 341.455 1.987 20 30 EDEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2c(CC)nn(C)c2Cl)CC1 ZINC000800339419 581050908 /nfs/dbraw/zinc/05/09/08/581050908.db2.gz SRBPTHQJTMYZBS-AWEZNQCLSA-N 1 2 340.855 1.481 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000801919667 581087999 /nfs/dbraw/zinc/08/79/99/581087999.db2.gz GTVIVDVUECXWRB-WMZOPIPTSA-N 1 2 342.443 1.338 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000801930228 581088389 /nfs/dbraw/zinc/08/83/89/581088389.db2.gz JTMAUUYNKKXUCI-ZDUSSCGKSA-N 1 2 341.371 1.857 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000801936942 581088597 /nfs/dbraw/zinc/08/85/97/581088597.db2.gz ZNWRDXNRQJXFKW-CQSZACIVSA-N 1 2 334.395 1.310 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(C#N)c(Cl)c2)CCO1 ZINC000802076588 581090445 /nfs/dbraw/zinc/09/04/45/581090445.db2.gz OPXMEZPYOKAIQH-GFCCVEGCSA-N 1 2 336.823 1.732 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(C#N)c(Cl)c2)CCO1 ZINC000802076588 581090446 /nfs/dbraw/zinc/09/04/46/581090446.db2.gz OPXMEZPYOKAIQH-GFCCVEGCSA-N 1 2 336.823 1.732 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](Nc2nccn3c[nH+]cc23)C1 ZINC000893170445 590694993 /nfs/dbraw/zinc/69/49/93/590694993.db2.gz JWMYSBMOQKWFDR-NEPJUHHUSA-N 1 2 328.376 1.900 20 30 EDEDLO Cc1cccc(CCCNc2ccc(S(N)(=O)=O)cc2C#N)[nH+]1 ZINC000804774155 590765731 /nfs/dbraw/zinc/76/57/31/590765731.db2.gz CRIVPEBYARGBOT-UHFFFAOYSA-N 1 2 330.413 1.954 20 30 EDEDLO O=C(NCC#C[C@H]1CCCCO1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892563198 591073902 /nfs/dbraw/zinc/07/39/02/591073902.db2.gz PYZLXEWUHVCDKJ-MRXNPFEDSA-N 1 2 339.399 1.639 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+]([C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000891539611 591116167 /nfs/dbraw/zinc/11/61/67/591116167.db2.gz CPJZADJJSRSFHU-HOTGVXAUSA-N 1 2 346.406 1.709 20 30 EDEDLO Cn1nc2c(c1C[NH+]1CCN(c3ccccc3C#N)CC1)COCC2 ZINC000891573182 591131599 /nfs/dbraw/zinc/13/15/99/591131599.db2.gz NVRIVDSOHLZYFR-UHFFFAOYSA-N 1 2 337.427 1.687 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc3ccccc32)C1 ZINC000891606096 591146696 /nfs/dbraw/zinc/14/66/96/591146696.db2.gz LCRCPDZCDBAORE-INIZCTEOSA-N 1 2 335.407 1.992 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc3ccccc32)C1 ZINC000891606096 591146699 /nfs/dbraw/zinc/14/66/99/591146699.db2.gz LCRCPDZCDBAORE-INIZCTEOSA-N 1 2 335.407 1.992 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2[C@H](C(=O)OC)C2(F)F)c1 ZINC000893966065 591149865 /nfs/dbraw/zinc/14/98/65/591149865.db2.gz FVZNJKFMQLBZDH-UKRRQHHQSA-N 1 2 336.338 1.593 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2[C@H](C(=O)OC)C2(F)F)c1 ZINC000893966065 591149868 /nfs/dbraw/zinc/14/98/68/591149868.db2.gz FVZNJKFMQLBZDH-UKRRQHHQSA-N 1 2 336.338 1.593 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2csc(N3CCCCC3)n2)CC1 ZINC000895883652 591296674 /nfs/dbraw/zinc/29/66/74/591296674.db2.gz DCMZTERLTSNORF-UHFFFAOYSA-N 1 2 332.473 1.915 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)cn1 ZINC000728962188 591334520 /nfs/dbraw/zinc/33/45/20/591334520.db2.gz IKWABXUVMDMBGX-UHFFFAOYSA-N 1 2 342.443 1.079 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)cn1 ZINC000728962188 591334522 /nfs/dbraw/zinc/33/45/22/591334522.db2.gz IKWABXUVMDMBGX-UHFFFAOYSA-N 1 2 342.443 1.079 20 30 EDEDLO COc1cc(C[NH2+]Cc2nc(Br)nn2C)ccc1C#N ZINC000894794605 591419369 /nfs/dbraw/zinc/41/93/69/591419369.db2.gz OEBIYBJMOLQQAP-UHFFFAOYSA-N 1 2 336.193 1.748 20 30 EDEDLO C[C@H](O)CNc1cc(N2CCO[C@@H](c3ccc(C#N)cc3)C2)nc[nH+]1 ZINC000896871527 591641151 /nfs/dbraw/zinc/64/11/51/591641151.db2.gz DQCVJNUDILBDGZ-XJKSGUPXSA-N 1 2 339.399 1.719 20 30 EDEDLO C[C@H](O)CNc1cc(N2CCO[C@@H](c3ccc(C#N)cc3)C2)[nH+]cn1 ZINC000896871527 591641154 /nfs/dbraw/zinc/64/11/54/591641154.db2.gz DQCVJNUDILBDGZ-XJKSGUPXSA-N 1 2 339.399 1.719 20 30 EDEDLO C#Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)[C@H]2CCSC2)cc1 ZINC000897807457 591677388 /nfs/dbraw/zinc/67/73/88/591677388.db2.gz FUYJJHDIKVKECV-SFHVURJKSA-N 1 2 344.480 1.948 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N2CCN(c3cnccc3C#N)CC2)c[nH+]1 ZINC000897828450 591686389 /nfs/dbraw/zinc/68/63/89/591686389.db2.gz SYYQOZXQNMWFKK-UHFFFAOYSA-N 1 2 338.415 1.542 20 30 EDEDLO C=C(C)C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(=O)OCC ZINC000899209642 591731897 /nfs/dbraw/zinc/73/18/97/591731897.db2.gz UIKSOFFIBJJEJU-CABCVRRESA-N 1 2 334.420 1.804 20 30 EDEDLO C=C(C)C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(=O)OCC ZINC000899209642 591731900 /nfs/dbraw/zinc/73/19/00/591731900.db2.gz UIKSOFFIBJJEJU-CABCVRRESA-N 1 2 334.420 1.804 20 30 EDEDLO C=C(C)C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)C(=O)OCC ZINC000899209642 591731904 /nfs/dbraw/zinc/73/19/04/591731904.db2.gz UIKSOFFIBJJEJU-CABCVRRESA-N 1 2 334.420 1.804 20 30 EDEDLO C=C(C)C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)C(=O)OCC ZINC000899209642 591731905 /nfs/dbraw/zinc/73/19/05/591731905.db2.gz UIKSOFFIBJJEJU-CABCVRRESA-N 1 2 334.420 1.804 20 30 EDEDLO C=CCCCNC(=O)C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000897951458 591734749 /nfs/dbraw/zinc/73/47/49/591734749.db2.gz OAXQNHQLSTZDIK-UHFFFAOYSA-N 1 2 339.480 1.418 20 30 EDEDLO C=C1CCC(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000895561044 591802216 /nfs/dbraw/zinc/80/22/16/591802216.db2.gz MPZAPMCJUQNXAT-UHFFFAOYSA-N 1 2 340.431 1.758 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cn1 ZINC000728806715 591830617 /nfs/dbraw/zinc/83/06/17/591830617.db2.gz AZWPSOLGSKEHAL-LJQANCHMSA-N 1 2 335.407 1.866 20 30 EDEDLO COCC[C@@H]1CCN(C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O ZINC000902246594 591958999 /nfs/dbraw/zinc/95/89/99/591958999.db2.gz HAZASLPETYTSRJ-INIZCTEOSA-N 1 2 342.443 1.781 20 30 EDEDLO Cn1c2ccccc2n(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1=O ZINC000902599755 592022584 /nfs/dbraw/zinc/02/25/84/592022584.db2.gz JDKLJTUCXLMZHM-UHFFFAOYSA-N 1 2 327.384 1.635 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000900806130 592129511 /nfs/dbraw/zinc/12/95/11/592129511.db2.gz RXTAXQOWEFMQBZ-AMMZPXFLSA-N 1 2 329.444 1.484 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)cc1 ZINC000900806130 592129512 /nfs/dbraw/zinc/12/95/12/592129512.db2.gz RXTAXQOWEFMQBZ-AMMZPXFLSA-N 1 2 329.444 1.484 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)nc1 ZINC000906828794 592357575 /nfs/dbraw/zinc/35/75/75/592357575.db2.gz ODHCPMNRFBEPDL-UHFFFAOYSA-N 1 2 343.412 1.427 20 30 EDEDLO N#Cc1ccc(OC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c(F)c1 ZINC000903989964 592407389 /nfs/dbraw/zinc/40/73/89/592407389.db2.gz CKAIGVDGHYBLMZ-CJNGLKHVSA-N 1 2 334.347 1.483 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000907110928 592511823 /nfs/dbraw/zinc/51/18/23/592511823.db2.gz CZFGFBGXOCQZMM-UHFFFAOYSA-N 1 2 342.424 1.277 20 30 EDEDLO C=CC[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)C(=O)OC ZINC000905765986 592640110 /nfs/dbraw/zinc/64/01/10/592640110.db2.gz AARNEEWZAGHURX-GOEBONIOSA-N 1 2 332.400 1.374 20 30 EDEDLO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000735305688 592980921 /nfs/dbraw/zinc/98/09/21/592980921.db2.gz CAHWCHHQEKIZBE-CYBMUJFWSA-N 1 2 328.821 1.861 20 30 EDEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000735305688 592980922 /nfs/dbraw/zinc/98/09/22/592980922.db2.gz CAHWCHHQEKIZBE-CYBMUJFWSA-N 1 2 328.821 1.861 20 30 EDEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000807280752 593159374 /nfs/dbraw/zinc/15/93/74/593159374.db2.gz KNCUWGOAQFCCSJ-HNNXBMFYSA-N 1 2 340.383 1.656 20 30 EDEDLO C#CCC[C@@H](O)CNc1nc(NC[C@@H](O)CCC#C)[nH+]cc1Cl ZINC000798419391 593200751 /nfs/dbraw/zinc/20/07/51/593200751.db2.gz KLYAJWIJWKJAJI-OLZOCXBDSA-N 1 2 336.823 1.502 20 30 EDEDLO Cc1ccn(C[NH+]2CCC(OCCOC(C)C)CC2)c(=O)c1C#N ZINC000840143517 593284019 /nfs/dbraw/zinc/28/40/19/593284019.db2.gz JTNANSWAABCRHY-UHFFFAOYSA-N 1 2 333.432 1.892 20 30 EDEDLO C=CCN1CCN(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)C1=O ZINC000839987793 593294460 /nfs/dbraw/zinc/29/44/60/593294460.db2.gz KRGCNPLTWIXNMS-UHFFFAOYSA-N 1 2 346.431 1.663 20 30 EDEDLO COC(=O)[C@]1(C)CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000840184908 593359619 /nfs/dbraw/zinc/35/96/19/593359619.db2.gz SUTJQHOJFXGJMZ-LJQANCHMSA-N 1 2 343.427 1.831 20 30 EDEDLO COC(=O)[C@]1(C)CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000840184908 593359621 /nfs/dbraw/zinc/35/96/21/593359621.db2.gz SUTJQHOJFXGJMZ-LJQANCHMSA-N 1 2 343.427 1.831 20 30 EDEDLO CN(C)c1ncc(C=[NH+]N(C)C(=S)NCc2ccccc2)n1C ZINC000811632476 593475519 /nfs/dbraw/zinc/47/55/19/593475519.db2.gz QHSAWQGWUYADBJ-UHFFFAOYSA-N 1 2 330.461 1.827 20 30 EDEDLO OCCC[C@@H]1CCCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000814717376 593601402 /nfs/dbraw/zinc/60/14/02/593601402.db2.gz UZJTZWHUSPWGCS-AWEZNQCLSA-N 1 2 342.509 1.101 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/[C@@H]3CCCO3)CC2)cc1 ZINC000819016088 593734100 /nfs/dbraw/zinc/73/41/00/593734100.db2.gz TTZAJTLSOPVXQU-DVBCCOPCSA-N 1 2 325.412 1.938 20 30 EDEDLO C#C[C@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000820476654 593822085 /nfs/dbraw/zinc/82/20/85/593822085.db2.gz FLYPKYSTDRRQIQ-YOEHRIQHSA-N 1 2 333.407 1.862 20 30 EDEDLO C#CCCCOc1cccnc1NCC[NH+]1CCN(C(C)=O)CC1 ZINC000820625036 593848104 /nfs/dbraw/zinc/84/81/04/593848104.db2.gz XZTYEMZQRUWLDD-UHFFFAOYSA-N 1 2 330.432 1.450 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000824872350 594087873 /nfs/dbraw/zinc/08/78/73/594087873.db2.gz RCOMYIFPVLVZBP-UHFFFAOYSA-N 1 2 341.367 1.061 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cnn3c2CCC3)C1 ZINC000825509381 594194818 /nfs/dbraw/zinc/19/48/18/594194818.db2.gz JXPDSVUZHNHGTK-GXTWGEPZSA-N 1 2 331.420 1.678 20 30 EDEDLO COc1cccc([C@H](C#N)NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c1OC ZINC000826143089 594344533 /nfs/dbraw/zinc/34/45/33/594344533.db2.gz SBVITJKJHQTJSV-NHYWBVRUSA-N 1 2 340.383 1.913 20 30 EDEDLO COc1cccc([C@H](C#N)NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c1OC ZINC000826143089 594344537 /nfs/dbraw/zinc/34/45/37/594344537.db2.gz SBVITJKJHQTJSV-NHYWBVRUSA-N 1 2 340.383 1.913 20 30 EDEDLO N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)CCO2)c1 ZINC000831414934 594626917 /nfs/dbraw/zinc/62/69/17/594626917.db2.gz ZFFPMPPLEVBPTO-QAPCUYQASA-N 1 2 336.395 1.986 20 30 EDEDLO N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)CCO2)c1 ZINC000831414934 594626918 /nfs/dbraw/zinc/62/69/18/594626918.db2.gz ZFFPMPPLEVBPTO-QAPCUYQASA-N 1 2 336.395 1.986 20 30 EDEDLO C[NH+]1CCN(C2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)CC1 ZINC000827468394 594675051 /nfs/dbraw/zinc/67/50/51/594675051.db2.gz SCXDWDGDWRWTOE-UHFFFAOYSA-N 1 2 340.471 1.729 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccn3cc(C(F)(F)F)nc3c2)CC1 ZINC000827519846 594678188 /nfs/dbraw/zinc/67/81/88/594678188.db2.gz WAWMRIPAECHGAG-UHFFFAOYSA-N 1 2 336.317 1.744 20 30 EDEDLO CCn1c[nH+]cc1C=NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O ZINC000841612598 594928904 /nfs/dbraw/zinc/92/89/04/594928904.db2.gz MHYAAYCVIMLSBQ-QGZVFWFLSA-N 1 2 341.371 1.713 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(Cc2ccc(N3CCC(C)CC3)[nH+]c2)C1=O ZINC000842236740 595048578 /nfs/dbraw/zinc/04/85/78/595048578.db2.gz RDAXYZIOBUTTOQ-HNNXBMFYSA-N 1 2 326.400 1.762 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@H](Nc4ncccn4)C3)c1=O)CCC2 ZINC000842614287 595142222 /nfs/dbraw/zinc/14/22/22/595142222.db2.gz FGGGQFQTOHWQNG-AWEZNQCLSA-N 1 2 336.399 1.143 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@H](Nc4ncccn4)C3)c1=O)CCC2 ZINC000842614287 595142224 /nfs/dbraw/zinc/14/22/24/595142224.db2.gz FGGGQFQTOHWQNG-AWEZNQCLSA-N 1 2 336.399 1.143 20 30 EDEDLO CN(C)[C@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)c1c[nH+]cn1C ZINC000846328649 595207365 /nfs/dbraw/zinc/20/73/65/595207365.db2.gz JIAVJMPYLXNRGE-SJORKVTESA-N 1 2 341.415 1.086 20 30 EDEDLO Cc1ccc(N2C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC2=O)cc1F ZINC000844529410 595355856 /nfs/dbraw/zinc/35/58/56/595355856.db2.gz RNLVMBQZVKVTNC-UGSOOPFHSA-N 1 2 346.406 1.447 20 30 EDEDLO C[C@H](O)C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000847095416 595363092 /nfs/dbraw/zinc/36/30/92/595363092.db2.gz PWULBOODGJSVPW-SMDDNHRTSA-N 1 2 340.383 1.357 20 30 EDEDLO C[C@H](O)C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000847095416 595363093 /nfs/dbraw/zinc/36/30/93/595363093.db2.gz PWULBOODGJSVPW-SMDDNHRTSA-N 1 2 340.383 1.357 20 30 EDEDLO COCCOc1cc2c(cc1C=NNCCCn1cc[nH+]c1)OCO2 ZINC000848418616 595375500 /nfs/dbraw/zinc/37/55/00/595375500.db2.gz QYBKMRSJCURNNJ-UHFFFAOYSA-N 1 2 346.387 1.651 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000848493284 595395404 /nfs/dbraw/zinc/39/54/04/595395404.db2.gz LQVOEUIBKLGVMU-KUHUBIRLSA-N 1 2 336.395 1.628 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000848493284 595395407 /nfs/dbraw/zinc/39/54/07/595395407.db2.gz LQVOEUIBKLGVMU-KUHUBIRLSA-N 1 2 336.395 1.628 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848494822 595396254 /nfs/dbraw/zinc/39/62/54/595396254.db2.gz SROBYOANQWFHEM-GUYCJALGSA-N 1 2 329.356 1.835 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848494822 595396257 /nfs/dbraw/zinc/39/62/57/595396257.db2.gz SROBYOANQWFHEM-GUYCJALGSA-N 1 2 329.356 1.835 20 30 EDEDLO N#Cc1ccc(OCc2nnc(NCCC[NH+]3CCOCC3)o2)cc1 ZINC000849157723 595489948 /nfs/dbraw/zinc/48/99/48/595489948.db2.gz RLXHBMUBNIQOJZ-UHFFFAOYSA-N 1 2 343.387 1.654 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000108522231 595513352 /nfs/dbraw/zinc/51/33/52/595513352.db2.gz SASRYWOIYVCQAP-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000850570607 595535770 /nfs/dbraw/zinc/53/57/70/595535770.db2.gz XKHSUTHHANSHOT-UHFFFAOYSA-N 1 2 348.406 1.918 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000115383884 595562949 /nfs/dbraw/zinc/56/29/49/595562949.db2.gz XIVMKCKIJXIFPD-UHFFFAOYSA-N 1 2 343.168 1.010 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 ZINC000112921161 595570119 /nfs/dbraw/zinc/57/01/19/595570119.db2.gz YVOCUAQEOYPOQV-UHFFFAOYSA-N 1 2 340.452 1.944 20 30 EDEDLO C#CC[C@H](COC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000858124508 595706037 /nfs/dbraw/zinc/70/60/37/595706037.db2.gz WWNHGTNVUSJYRY-CVEARBPZSA-N 1 2 326.400 1.847 20 30 EDEDLO COc1cccc(S(C)(=O)=O)c1N=NCc1c[nH+]c2n1CCC2 ZINC000853334272 595737749 /nfs/dbraw/zinc/73/77/49/595737749.db2.gz XGZZKNHMJQDUEX-UHFFFAOYSA-N 1 2 334.401 1.687 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCN(c2nc(N)ns2)CC1 ZINC000853431834 595749997 /nfs/dbraw/zinc/74/99/97/595749997.db2.gz JZLIBIHJHVTMGO-UHFFFAOYSA-N 1 2 344.444 1.634 20 30 EDEDLO C=C[C@H](C)ONC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000854219423 596005689 /nfs/dbraw/zinc/00/56/89/596005689.db2.gz OYIZSPKQYCDGGF-RDJZCZTQSA-N 1 2 332.448 1.608 20 30 EDEDLO C=C[C@H](C)ONC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000854219423 596005692 /nfs/dbraw/zinc/00/56/92/596005692.db2.gz OYIZSPKQYCDGGF-RDJZCZTQSA-N 1 2 332.448 1.608 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856611129 596034273 /nfs/dbraw/zinc/03/42/73/596034273.db2.gz GFVFKIYJRQIVHX-DLBZAZTESA-N 1 2 348.406 1.857 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(C)n(C[C@@H]3CCCOC3)c2C)CC1 ZINC000859357368 596062979 /nfs/dbraw/zinc/06/29/79/596062979.db2.gz NQKFGURHBYOUJW-SFHVURJKSA-N 1 2 343.471 1.923 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H](N4CCOC4=O)C3)o2)c1 ZINC000852433703 596159222 /nfs/dbraw/zinc/15/92/22/596159222.db2.gz URLMKCOHJUESBB-CQSZACIVSA-N 1 2 339.355 1.635 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H](N4CCOC4=O)C3)o2)c1 ZINC000852433703 596159224 /nfs/dbraw/zinc/15/92/24/596159224.db2.gz URLMKCOHJUESBB-CQSZACIVSA-N 1 2 339.355 1.635 20 30 EDEDLO Cc1cc(C)n2c(C[NH+]3CCN(c4ccc(C#N)nc4)CC3)cnc2n1 ZINC000862422389 596326580 /nfs/dbraw/zinc/32/65/80/596326580.db2.gz YJPWMAWBZWLQSB-UHFFFAOYSA-N 1 2 347.426 1.935 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C1 ZINC000867620287 596464955 /nfs/dbraw/zinc/46/49/55/596464955.db2.gz OJPPBZWKCXRTBY-QAPCUYQASA-N 1 2 339.439 1.551 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C1 ZINC000867620287 596464956 /nfs/dbraw/zinc/46/49/56/596464956.db2.gz OJPPBZWKCXRTBY-QAPCUYQASA-N 1 2 339.439 1.551 20 30 EDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@]1(C#N)CCCOC1 ZINC000865136678 596488159 /nfs/dbraw/zinc/48/81/59/596488159.db2.gz WMQKLTLTGVUQAG-ZDUSSCGKSA-N 1 2 330.310 1.724 20 30 EDEDLO CC1(C)Cc2nc(N)sc2C(=[NH+]N[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000863131614 596505657 /nfs/dbraw/zinc/50/56/57/596505657.db2.gz LCODWDYJJVZZRL-SECBINFHSA-N 1 2 342.490 1.569 20 30 EDEDLO COC(=O)CCN(CC#N)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000871344681 596538222 /nfs/dbraw/zinc/53/82/22/596538222.db2.gz UYLPDAHFNZUOFR-SNVBAGLBSA-N 1 2 346.309 1.371 20 30 EDEDLO COC(=O)[C@@H]1CC(=O)N(C[N@@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000863336938 596554754 /nfs/dbraw/zinc/55/47/54/596554754.db2.gz YHJGQIYRPALULE-OAHLLOKOSA-N 1 2 327.384 1.090 20 30 EDEDLO COC(=O)[C@@H]1CC(=O)N(C[N@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000863336938 596554756 /nfs/dbraw/zinc/55/47/56/596554756.db2.gz YHJGQIYRPALULE-OAHLLOKOSA-N 1 2 327.384 1.090 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2ccc(OC)c(Cl)c2)CC1 ZINC000121870405 596579415 /nfs/dbraw/zinc/57/94/15/596579415.db2.gz IXFHLCMJEZTBHQ-UHFFFAOYSA-N 1 2 335.835 1.562 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000867879371 596598958 /nfs/dbraw/zinc/59/89/58/596598958.db2.gz ZUACXZIRBHONPL-UHFFFAOYSA-N 1 2 330.432 1.723 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000867931869 596622950 /nfs/dbraw/zinc/62/29/50/596622950.db2.gz RSTNQTZOHZVRQD-CYBMUJFWSA-N 1 2 326.400 1.832 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865795188 596686404 /nfs/dbraw/zinc/68/64/04/596686404.db2.gz FGVLPPFEMSLZFA-DGCLKSJQSA-N 1 2 334.351 1.905 20 30 EDEDLO C=CCCn1cc(COC(=O)Cc2cn3cc(F)ccc3[nH+]2)nn1 ZINC000869973141 596694271 /nfs/dbraw/zinc/69/42/71/596694271.db2.gz IUMNOGXFFPZDPY-UHFFFAOYSA-N 1 2 329.335 1.927 20 30 EDEDLO Cc1ccc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1C#N ZINC000870060667 596729294 /nfs/dbraw/zinc/72/92/94/596729294.db2.gz KVCVUZGRVSTSLS-QGZVFWFLSA-N 1 2 329.400 1.040 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)CC3(O)CCOCC3)CCO2)c1 ZINC000863968183 596736445 /nfs/dbraw/zinc/73/64/45/596736445.db2.gz FGBNWZNOEVXDCE-QZTJIDSGSA-N 1 2 346.427 1.224 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)CC3(O)CCOCC3)CCO2)c1 ZINC000863968183 596736447 /nfs/dbraw/zinc/73/64/47/596736447.db2.gz FGBNWZNOEVXDCE-QZTJIDSGSA-N 1 2 346.427 1.224 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)S1 ZINC000865984803 596747906 /nfs/dbraw/zinc/74/79/06/596747906.db2.gz FAJZZGNVTDWJRL-MRXNPFEDSA-N 1 2 336.461 1.332 20 30 EDEDLO COc1cccc([C@@H]2CN(C(=O)CC3(C#N)CCOCC3)CC[NH2+]2)c1 ZINC000870152738 596776306 /nfs/dbraw/zinc/77/63/06/596776306.db2.gz DPSJMYKKFADVNJ-KRWDZBQOSA-N 1 2 343.427 1.879 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317585 596879555 /nfs/dbraw/zinc/87/95/55/596879555.db2.gz XPTRCUORHPGUFS-RDTXWAMCSA-N 1 2 329.448 1.776 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317585 596879557 /nfs/dbraw/zinc/87/95/57/596879557.db2.gz XPTRCUORHPGUFS-RDTXWAMCSA-N 1 2 329.448 1.776 20 30 EDEDLO S=C(NN=Cc1ccc(OCC[NH+]2CCOCC2)cc1)NC1CC1 ZINC000872331492 596881952 /nfs/dbraw/zinc/88/19/52/596881952.db2.gz KQTCOTNVHBZFKG-UHFFFAOYSA-N 1 2 348.472 1.358 20 30 EDEDLO CCOC(=O)c1ccc(S(=O)(=O)NN=C2CC[N@H+](C)[C@H]2C)cc1 ZINC000872357340 596895126 /nfs/dbraw/zinc/89/51/26/596895126.db2.gz BGGUAWLERHGCHZ-NSHDSACASA-N 1 2 339.417 1.222 20 30 EDEDLO CCOC(=O)c1ccc(S(=O)(=O)NN=C2CC[N@@H+](C)[C@H]2C)cc1 ZINC000872357340 596895127 /nfs/dbraw/zinc/89/51/27/596895127.db2.gz BGGUAWLERHGCHZ-NSHDSACASA-N 1 2 339.417 1.222 20 30 EDEDLO CC(C)(CO)CNN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872371937 596896006 /nfs/dbraw/zinc/89/60/06/596896006.db2.gz UVUQWFXTCKBXSC-UHFFFAOYSA-N 1 2 335.448 1.340 20 30 EDEDLO C#C[C@H](NC(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@H]2C1)C(C)C ZINC000875594926 596909760 /nfs/dbraw/zinc/90/97/60/596909760.db2.gz UGDWEXOQTHSKAF-ULQDDVLXSA-N 1 2 342.443 1.858 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000875599312 596912301 /nfs/dbraw/zinc/91/23/01/596912301.db2.gz HQXWETAGNAINJU-UONOGXRCSA-N 1 2 332.404 1.008 20 30 EDEDLO C[C@H]1CN(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C(=O)[C@H]1C ZINC000872730903 597049753 /nfs/dbraw/zinc/04/97/53/597049753.db2.gz YMPPQQCHYCIOGQ-KBPBESRZSA-N 1 2 330.407 1.891 20 30 EDEDLO N#CCCN1CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000872734514 597051773 /nfs/dbraw/zinc/05/17/73/597051773.db2.gz MPWDNWVHRUCQKC-UHFFFAOYSA-N 1 2 340.387 1.947 20 30 EDEDLO CN(C)C(=O)c1cccc(NC(=O)CO[NH+]=C(N)c2ccccc2)c1 ZINC000021387661 597070719 /nfs/dbraw/zinc/07/07/19/597070719.db2.gz BYNVZOBCZGSSLH-UHFFFAOYSA-N 1 2 340.383 1.664 20 30 EDEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N(C)C[C@H](C)C#N)C2)cc1 ZINC000876199361 597130742 /nfs/dbraw/zinc/13/07/42/597130742.db2.gz RRHXLQZUZMEBAV-SJLPKXTDSA-N 1 2 344.459 1.997 20 30 EDEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N(C)C[C@H](C)C#N)C2)cc1 ZINC000876199361 597130744 /nfs/dbraw/zinc/13/07/44/597130744.db2.gz RRHXLQZUZMEBAV-SJLPKXTDSA-N 1 2 344.459 1.997 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)[C@H](C)CO1 ZINC000876278160 597159234 /nfs/dbraw/zinc/15/92/34/597159234.db2.gz CPRYFJDTOOYWAT-LBTNJELSSA-N 1 2 342.443 1.434 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)[C@H](C)CO1 ZINC000876278160 597159237 /nfs/dbraw/zinc/15/92/37/597159237.db2.gz CPRYFJDTOOYWAT-LBTNJELSSA-N 1 2 342.443 1.434 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)cc1 ZINC000874891031 597211100 /nfs/dbraw/zinc/21/11/00/597211100.db2.gz FWNKSQSVIRDBSF-ROUUACIJSA-N 1 2 339.370 1.904 20 30 EDEDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)C(=O)N1c1cnn(C)c1 ZINC000877070716 597426100 /nfs/dbraw/zinc/42/61/00/597426100.db2.gz TUUSBPVTMCRTEU-YGRLFVJLSA-N 1 2 344.806 1.624 20 30 EDEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000873906538 597443970 /nfs/dbraw/zinc/44/39/70/597443970.db2.gz BSICXWLPSQNRHN-HZMBPMFUSA-N 1 2 341.346 1.963 20 30 EDEDLO COc1ccc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)cc1C#N ZINC000877777248 597555136 /nfs/dbraw/zinc/55/51/36/597555136.db2.gz SDCJMMXYTLCYGT-UHFFFAOYSA-N 1 2 327.306 1.677 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000878159300 597582931 /nfs/dbraw/zinc/58/29/31/597582931.db2.gz HTYGEQNNNIAYIY-RBUKOAKNSA-N 1 2 347.459 1.019 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 ZINC000878331864 597596070 /nfs/dbraw/zinc/59/60/70/597596070.db2.gz ZYVCGQWKLSWZND-MJGOQNOKSA-N 1 2 325.412 1.734 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 ZINC000878331864 597596071 /nfs/dbraw/zinc/59/60/71/597596071.db2.gz ZYVCGQWKLSWZND-MJGOQNOKSA-N 1 2 325.412 1.734 20 30 EDEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)Oc2ccc(F)nc2C#N)C1 ZINC000882200723 597894873 /nfs/dbraw/zinc/89/48/73/597894873.db2.gz JVABHBDOCLOXBQ-UHFFFAOYSA-N 1 2 347.371 1.848 20 30 EDEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)Oc2ccc(F)nc2C#N)C1 ZINC000882200723 597894874 /nfs/dbraw/zinc/89/48/74/597894874.db2.gz JVABHBDOCLOXBQ-UHFFFAOYSA-N 1 2 347.371 1.848 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc(OC)cc3OC)CC2)C1=O ZINC000879461718 597923800 /nfs/dbraw/zinc/92/38/00/597923800.db2.gz HLHSMXVNNGJOFY-KRWDZBQOSA-N 1 2 345.443 1.613 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000884085018 597990245 /nfs/dbraw/zinc/99/02/45/597990245.db2.gz IVQFBRHPPPMSEJ-QWHCGFSZSA-N 1 2 338.404 1.925 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000884121098 598000314 /nfs/dbraw/zinc/00/03/14/598000314.db2.gz FRCPMLJPRLREMB-BPUTZDHNSA-N 1 2 332.400 1.422 20 30 EDEDLO C[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)N(C)CCC#N)CC1 ZINC000882616065 598003570 /nfs/dbraw/zinc/00/35/70/598003570.db2.gz CLEYESIUJHLJFP-HNNXBMFYSA-N 1 2 336.461 1.455 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882837259 598074501 /nfs/dbraw/zinc/07/45/01/598074501.db2.gz CTHRCQBZOPALRL-GDBMZVCRSA-N 1 2 347.444 1.550 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1c[nH]c2cc(F)c(C)cc12 ZINC000884464857 598112808 /nfs/dbraw/zinc/11/28/08/598112808.db2.gz FEJQGZDAUKCJFH-HNNXBMFYSA-N 1 2 347.390 1.721 20 30 EDEDLO C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC000992899056 695442056 /nfs/dbraw/zinc/44/20/56/695442056.db2.gz OHCPINBBJWJAAN-HNAYVOBHSA-N 1 2 340.427 1.063 20 30 EDEDLO C[C@]12CN(C(=O)C#CC3CC3)C[C@H]1CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC000992899056 695442057 /nfs/dbraw/zinc/44/20/57/695442057.db2.gz OHCPINBBJWJAAN-HNAYVOBHSA-N 1 2 340.427 1.063 20 30 EDEDLO C#CCOc1ccc(C(=O)NC2C[NH+](CCc3ccnn3C)C2)cc1 ZINC001031067158 695449815 /nfs/dbraw/zinc/44/98/15/695449815.db2.gz UAIQKOATIAETER-UHFFFAOYSA-N 1 2 338.411 1.089 20 30 EDEDLO NC(=NOCCOCC1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181744195 700011423 /nfs/dbraw/zinc/01/14/23/700011423.db2.gz DTWJKQIVGCMXPP-KRWDZBQOSA-N 1 2 333.432 1.603 20 30 EDEDLO NC(=NOCCOCC1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181744195 700011425 /nfs/dbraw/zinc/01/14/25/700011425.db2.gz DTWJKQIVGCMXPP-KRWDZBQOSA-N 1 2 333.432 1.603 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC000993159463 695697848 /nfs/dbraw/zinc/69/78/48/695697848.db2.gz YBOIWNZCWUBCSS-IFXJQAMLSA-N 1 2 344.459 1.482 20 30 EDEDLO C[C@@H]1CO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031860977 700034903 /nfs/dbraw/zinc/03/49/03/700034903.db2.gz XCHBZZYOUZKMFG-YVEFUNNKSA-N 1 2 331.391 1.670 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)nc1 ZINC001060540692 695878455 /nfs/dbraw/zinc/87/84/55/695878455.db2.gz CEOJWCGHTXTNKS-SOUVJXGZSA-N 1 2 336.399 1.568 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccn3nnnc23)[C@@H]1C ZINC000993377963 696027805 /nfs/dbraw/zinc/02/78/05/696027805.db2.gz NXLMAFKJYVKEMU-WCQYABFASA-N 1 2 334.811 1.460 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccn3nnnc23)[C@@H]1C ZINC000993377963 696027807 /nfs/dbraw/zinc/02/78/07/696027807.db2.gz NXLMAFKJYVKEMU-WCQYABFASA-N 1 2 334.811 1.460 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)Cc2ccc(C#N)cc2)CCO1 ZINC000915826752 696031026 /nfs/dbraw/zinc/03/10/26/696031026.db2.gz BYODYNYTYMSHHI-OAHLLOKOSA-N 1 2 344.459 1.899 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)Cc2ccc(C#N)cc2)CCO1 ZINC000915826752 696031029 /nfs/dbraw/zinc/03/10/29/696031029.db2.gz BYODYNYTYMSHHI-OAHLLOKOSA-N 1 2 344.459 1.899 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H]1C ZINC000993526873 696205928 /nfs/dbraw/zinc/20/59/28/696205928.db2.gz IJUVLPBVGHDJEC-SMDDNHRTSA-N 1 2 348.834 1.911 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H]1C ZINC000993526873 696205932 /nfs/dbraw/zinc/20/59/32/696205932.db2.gz IJUVLPBVGHDJEC-SMDDNHRTSA-N 1 2 348.834 1.911 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2cn[nH]n2)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993538739 696212962 /nfs/dbraw/zinc/21/29/62/696212962.db2.gz FYSJCLYWKYONTJ-XHDPSFHLSA-N 1 2 342.378 1.598 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2cn[nH]n2)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993538739 696212963 /nfs/dbraw/zinc/21/29/63/696212963.db2.gz FYSJCLYWKYONTJ-XHDPSFHLSA-N 1 2 342.378 1.598 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000993549927 696236441 /nfs/dbraw/zinc/23/64/41/696236441.db2.gz QGSGTCKZDQUYEE-HNNXBMFYSA-N 1 2 345.447 1.329 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000993549927 696236442 /nfs/dbraw/zinc/23/64/42/696236442.db2.gz QGSGTCKZDQUYEE-HNNXBMFYSA-N 1 2 345.447 1.329 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H]1C ZINC000993598947 696251421 /nfs/dbraw/zinc/25/14/21/696251421.db2.gz FKWBQUQUGMWVDD-WCQYABFASA-N 1 2 348.838 1.699 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H]1C ZINC000993598947 696251423 /nfs/dbraw/zinc/25/14/23/696251423.db2.gz FKWBQUQUGMWVDD-WCQYABFASA-N 1 2 348.838 1.699 20 30 EDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@@H]1C ZINC000993817020 696389088 /nfs/dbraw/zinc/38/90/88/696389088.db2.gz BQRSJILDRQJBAO-DOTOQJQBSA-N 1 2 344.459 1.876 20 30 EDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@@H]1C ZINC000993817020 696389091 /nfs/dbraw/zinc/38/90/91/696389091.db2.gz BQRSJILDRQJBAO-DOTOQJQBSA-N 1 2 344.459 1.876 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2ccc(C)cc2=O)[C@H]1C ZINC000993887560 696429437 /nfs/dbraw/zinc/42/94/37/696429437.db2.gz CMMABVSNOMWKSY-CABCVRRESA-N 1 2 337.851 1.878 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(C)cc2=O)[C@H]1C ZINC000993887560 696429439 /nfs/dbraw/zinc/42/94/39/696429439.db2.gz CMMABVSNOMWKSY-CABCVRRESA-N 1 2 337.851 1.878 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H]1C ZINC000994271902 696695233 /nfs/dbraw/zinc/69/52/33/696695233.db2.gz WTVYIWDYLPKYME-STQMWFEESA-N 1 2 337.855 1.878 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(N(C)C)nn2)[C@@H]1C ZINC000994271902 696695234 /nfs/dbraw/zinc/69/52/34/696695234.db2.gz WTVYIWDYLPKYME-STQMWFEESA-N 1 2 337.855 1.878 20 30 EDEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)c(C)[nH+]1 ZINC000994429750 696849302 /nfs/dbraw/zinc/84/93/02/696849302.db2.gz RROXSQOJQHOXPE-WOSRLPQWSA-N 1 2 342.443 1.991 20 30 EDEDLO N#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)[nH]1 ZINC001031620847 697340914 /nfs/dbraw/zinc/34/09/14/697340914.db2.gz QZRWKFKLKZJCFY-UHFFFAOYSA-N 1 2 337.358 1.759 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)[nH]1 ZINC000940050974 700148978 /nfs/dbraw/zinc/14/89/78/700148978.db2.gz YJVWJHOCHLBKAX-CYBMUJFWSA-N 1 2 348.366 1.407 20 30 EDEDLO C=CCCOCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060751448 697798916 /nfs/dbraw/zinc/79/89/16/697798916.db2.gz NYLJCDIYXUVCGP-SHTZXODSSA-N 1 2 348.447 1.336 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3cccnn3)C2)c1 ZINC001032066325 697814388 /nfs/dbraw/zinc/81/43/88/697814388.db2.gz NXELZGPTDIFAAY-UHFFFAOYSA-N 1 2 325.347 1.349 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000943368242 698203888 /nfs/dbraw/zinc/20/38/88/698203888.db2.gz ODXJIDSRRQZJMU-ZIAGYGMSSA-N 1 2 339.399 1.605 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943674768 698676958 /nfs/dbraw/zinc/67/69/58/698676958.db2.gz KFBVFQJTAHOGBW-XHDPSFHLSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943674768 698676962 /nfs/dbraw/zinc/67/69/62/698676962.db2.gz KFBVFQJTAHOGBW-XHDPSFHLSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1NC(=O)c1nc[nH]n1 ZINC000943674768 698676965 /nfs/dbraw/zinc/67/69/65/698676965.db2.gz KFBVFQJTAHOGBW-XHDPSFHLSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1NC(=O)c1nc[nH]n1 ZINC000943674768 698676968 /nfs/dbraw/zinc/67/69/68/698676968.db2.gz KFBVFQJTAHOGBW-XHDPSFHLSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)c1cnon1 ZINC000943726549 698781683 /nfs/dbraw/zinc/78/16/83/698781683.db2.gz JTBWUKTXIMTDKO-ABAIWWIYSA-N 1 2 343.362 1.721 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)c1cnon1 ZINC000943726549 698781685 /nfs/dbraw/zinc/78/16/85/698781685.db2.gz JTBWUKTXIMTDKO-ABAIWWIYSA-N 1 2 343.362 1.721 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)CC2)C1 ZINC000941499072 701560655 /nfs/dbraw/zinc/56/06/55/701560655.db2.gz MFWKFIYHNKFDBQ-BCDXTJNWSA-N 1 2 329.488 1.664 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000939006496 699053242 /nfs/dbraw/zinc/05/32/42/699053242.db2.gz KLHULOLYGWKXHP-BFHYXJOUSA-N 1 2 330.432 1.785 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000939006496 699053245 /nfs/dbraw/zinc/05/32/45/699053245.db2.gz KLHULOLYGWKXHP-BFHYXJOUSA-N 1 2 330.432 1.785 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000939009765 699053934 /nfs/dbraw/zinc/05/39/34/699053934.db2.gz GGXCMSCQUNSYNL-HUUCEWRRSA-N 1 2 344.459 1.717 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCN(C2C[NH+](Cc3cncc(C)c3)C2)CC1 ZINC000941515863 701567099 /nfs/dbraw/zinc/56/70/99/701567099.db2.gz GFXNSSSFCOIJML-UHFFFAOYSA-N 1 2 342.487 1.931 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@H]([NH2+]Cc3nc(N(C)C)no3)[C@@H](C)C2)C1 ZINC000939103274 699166341 /nfs/dbraw/zinc/16/63/41/699166341.db2.gz PLCQZIVHMVPCJY-STQMWFEESA-N 1 2 333.436 1.428 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnn(CCF)c1 ZINC001031802788 699351496 /nfs/dbraw/zinc/35/14/96/699351496.db2.gz VRTFDEBQIYKNDT-UHFFFAOYSA-N 1 2 340.402 1.566 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000939481586 699629242 /nfs/dbraw/zinc/62/92/42/699629242.db2.gz BYLAUFJENLSSGF-KDOFPFPSSA-N 1 2 332.448 1.922 20 30 EDEDLO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C[C@H]1C ZINC000939505611 699643484 /nfs/dbraw/zinc/64/34/84/699643484.db2.gz HZXVZUWBXSZERL-QMTHXVAHSA-N 1 2 348.838 1.613 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccccc3Cl)CC2)C1 ZINC000941657702 701607152 /nfs/dbraw/zinc/60/71/52/701607152.db2.gz JKKGPAKYZJMSBG-UHFFFAOYSA-N 1 2 331.847 1.344 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccccc3Cl)CC2)C1 ZINC000941658343 701607455 /nfs/dbraw/zinc/60/74/55/701607455.db2.gz ZCPXGJFEILNPPB-UHFFFAOYSA-N 1 2 345.874 1.734 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3cccc(F)c3)CC2)C1 ZINC000941670939 701613219 /nfs/dbraw/zinc/61/32/19/701613219.db2.gz AJQCCXVMWZWFON-INIZCTEOSA-N 1 2 343.446 1.781 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940689808 700831867 /nfs/dbraw/zinc/83/18/67/700831867.db2.gz PKKPVDSJDFIQLP-OAHLLOKOSA-N 1 2 340.431 1.650 20 30 EDEDLO Cn1ccnc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940689808 700831870 /nfs/dbraw/zinc/83/18/70/700831870.db2.gz PKKPVDSJDFIQLP-OAHLLOKOSA-N 1 2 340.431 1.650 20 30 EDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C(C)(C)C1 ZINC000941161348 701225662 /nfs/dbraw/zinc/22/56/62/701225662.db2.gz OSTJQGWFDRYQAF-CJNGLKHVSA-N 1 2 329.448 1.150 20 30 EDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C(C)(C)C1 ZINC000941161348 701225664 /nfs/dbraw/zinc/22/56/64/701225664.db2.gz OSTJQGWFDRYQAF-CJNGLKHVSA-N 1 2 329.448 1.150 20 30 EDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C(C)(C)C1 ZINC000941161348 701225667 /nfs/dbraw/zinc/22/56/67/701225667.db2.gz OSTJQGWFDRYQAF-CJNGLKHVSA-N 1 2 329.448 1.150 20 30 EDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C(C)(C)C1 ZINC000941161348 701225670 /nfs/dbraw/zinc/22/56/70/701225670.db2.gz OSTJQGWFDRYQAF-CJNGLKHVSA-N 1 2 329.448 1.150 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H]3[C@@H](CCN3C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000946038389 701366179 /nfs/dbraw/zinc/36/61/79/701366179.db2.gz QHGAPLWIXATGBI-HOTGVXAUSA-N 1 2 342.443 1.689 20 30 EDEDLO CC(F)(F)C(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941279152 701441188 /nfs/dbraw/zinc/44/11/88/701441188.db2.gz HJQUVTFCKGDYJX-UHFFFAOYSA-N 1 2 348.397 1.542 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)C1 ZINC000941444649 701536306 /nfs/dbraw/zinc/53/63/06/701536306.db2.gz SKCFBUQILMJZCA-UHFFFAOYSA-N 1 2 345.418 1.300 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]3C(F)F)CC2)C1 ZINC000941437210 701540394 /nfs/dbraw/zinc/54/03/94/701540394.db2.gz VRBSDBOLHGXZFE-JKSUJKDBSA-N 1 2 339.430 1.520 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000941931739 702163346 /nfs/dbraw/zinc/16/33/46/702163346.db2.gz JSIVMYNXSHBUOD-GFCCVEGCSA-N 1 2 338.839 1.756 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2OC)C1 ZINC001031989055 702457150 /nfs/dbraw/zinc/45/71/50/702457150.db2.gz WEMJGLTYNUNENY-SJORKVTESA-N 1 2 348.418 1.973 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)C[C@@H]2C)nc1 ZINC000944191674 702482611 /nfs/dbraw/zinc/48/26/11/702482611.db2.gz DCYYPYYZGHRWAI-GUYCJALGSA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)C[C@@H]2C)nc1 ZINC000944191674 702482614 /nfs/dbraw/zinc/48/26/14/702482614.db2.gz DCYYPYYZGHRWAI-GUYCJALGSA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@@H]2C)cn1 ZINC000944214418 702544019 /nfs/dbraw/zinc/54/40/19/702544019.db2.gz LBOPCLNKRKRCME-LRDDRELGSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)C[C@@H]2C)cn1 ZINC000944214418 702544024 /nfs/dbraw/zinc/54/40/24/702544024.db2.gz LBOPCLNKRKRCME-LRDDRELGSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)cn3)C[C@@H]2C)cn1 ZINC000944215036 702545803 /nfs/dbraw/zinc/54/58/03/702545803.db2.gz PZNNPUGXODEBOA-YJBOKZPZSA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)cn3)C[C@@H]2C)cn1 ZINC000944215036 702545804 /nfs/dbraw/zinc/54/58/04/702545804.db2.gz PZNNPUGXODEBOA-YJBOKZPZSA-N 1 2 349.438 1.802 20 30 EDEDLO C=C1CCC(C(=O)NC[C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000944235130 702595982 /nfs/dbraw/zinc/59/59/82/702595982.db2.gz BMQVPFMOIASVAX-OAHLLOKOSA-N 1 2 330.432 1.806 20 30 EDEDLO C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1(C)C ZINC000996512268 702831835 /nfs/dbraw/zinc/83/18/35/702831835.db2.gz MWDKIOAASPIBDI-RISCZKNCSA-N 1 2 337.855 1.489 20 30 EDEDLO C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1(C)C ZINC000996512268 702831837 /nfs/dbraw/zinc/83/18/37/702831837.db2.gz MWDKIOAASPIBDI-RISCZKNCSA-N 1 2 337.855 1.489 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2oc(=O)n(C)c2c1 ZINC001032318186 703001346 /nfs/dbraw/zinc/00/13/46/703001346.db2.gz IXZLKDNBLNYOCM-XBFCOCLRSA-N 1 2 340.383 1.076 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2oc(=O)n(C)c2c1 ZINC001032318186 703001348 /nfs/dbraw/zinc/00/13/48/703001348.db2.gz IXZLKDNBLNYOCM-XBFCOCLRSA-N 1 2 340.383 1.076 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H](C)C1 ZINC000942975720 703489519 /nfs/dbraw/zinc/48/95/19/703489519.db2.gz DCQVMXWVBOSVJJ-MFKMUULPSA-N 1 2 339.237 1.825 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccnnc2)[C@H](C)C1 ZINC000942975720 703489520 /nfs/dbraw/zinc/48/95/20/703489520.db2.gz DCQVMXWVBOSVJJ-MFKMUULPSA-N 1 2 339.237 1.825 20 30 EDEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CC[NH+](Cc2cnon2)CC1 ZINC000997551979 703821995 /nfs/dbraw/zinc/82/19/95/703821995.db2.gz LFQTUPPLUGBPTP-NSHDSACASA-N 1 2 328.376 1.300 20 30 EDEDLO O=C(CCc1ccon1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032520557 703965402 /nfs/dbraw/zinc/96/54/02/703965402.db2.gz VMSZIOWSFINCNE-OALUTQOASA-N 1 2 335.407 1.944 20 30 EDEDLO O=C(CCc1ccon1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032520557 703965405 /nfs/dbraw/zinc/96/54/05/703965405.db2.gz VMSZIOWSFINCNE-OALUTQOASA-N 1 2 335.407 1.944 20 30 EDEDLO Cc1cn(C)nc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033075544 704122005 /nfs/dbraw/zinc/12/20/05/704122005.db2.gz PEMNDLMMHUIGGY-KRWDZBQOSA-N 1 2 337.427 1.947 20 30 EDEDLO Cc1cn(C)nc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033075544 704122007 /nfs/dbraw/zinc/12/20/07/704122007.db2.gz PEMNDLMMHUIGGY-KRWDZBQOSA-N 1 2 337.427 1.947 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC001061478535 704259989 /nfs/dbraw/zinc/25/99/89/704259989.db2.gz ZVZVEDKATBVXTD-FVQBIDKESA-N 1 2 336.399 1.565 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC001061478535 704259991 /nfs/dbraw/zinc/25/99/91/704259991.db2.gz ZVZVEDKATBVXTD-FVQBIDKESA-N 1 2 336.399 1.565 20 30 EDEDLO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2c[nH+]cn2C)C3)C1 ZINC001004365988 704332693 /nfs/dbraw/zinc/33/26/93/704332693.db2.gz UCJHBPPHDMYMRE-BMFZPTHFSA-N 1 2 342.443 1.567 20 30 EDEDLO Cc1cccn(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1=O ZINC001004439627 704421823 /nfs/dbraw/zinc/42/18/23/704421823.db2.gz UZYPGJMWFIAXBT-KRWDZBQOSA-N 1 2 342.443 1.383 20 30 EDEDLO Cc1cccn(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1=O ZINC001004439627 704421825 /nfs/dbraw/zinc/42/18/25/704421825.db2.gz UZYPGJMWFIAXBT-KRWDZBQOSA-N 1 2 342.443 1.383 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccnc3ccnn32)CC1 ZINC001004460695 704454633 /nfs/dbraw/zinc/45/46/33/704454633.db2.gz VNWOXDJOHFQRCL-OAHLLOKOSA-N 1 2 338.415 1.569 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccnc3ccnn32)CC1 ZINC001004460695 704454634 /nfs/dbraw/zinc/45/46/34/704454634.db2.gz VNWOXDJOHFQRCL-OAHLLOKOSA-N 1 2 338.415 1.569 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000997984456 705130083 /nfs/dbraw/zinc/13/00/83/705130083.db2.gz ZXZBIQBYNLQDFK-HNNXBMFYSA-N 1 2 342.403 1.786 20 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ZINC000998988193 706420110 /nfs/dbraw/zinc/42/01/10/706420110.db2.gz PLWREKNKYVITID-UHFFFAOYSA-N 1 2 339.399 1.420 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001061591160 707605677 /nfs/dbraw/zinc/60/56/77/707605677.db2.gz CGIBZVYGRPPKFK-HOTGVXAUSA-N 1 2 348.447 1.534 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3ccccn3c2=O)C1 ZINC001033210004 707661581 /nfs/dbraw/zinc/66/15/81/707661581.db2.gz VKAQKJLLLYXVDM-ZDUSSCGKSA-N 1 2 346.818 1.593 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3ccccn3c2=O)C1 ZINC001033210004 707661582 /nfs/dbraw/zinc/66/15/82/707661582.db2.gz VKAQKJLLLYXVDM-ZDUSSCGKSA-N 1 2 346.818 1.593 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(C#N)s1 ZINC001032753676 707824662 /nfs/dbraw/zinc/82/46/62/707824662.db2.gz HZWISZBXQHQFCO-STQMWFEESA-N 1 2 341.440 1.679 20 30 EDEDLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033514898 708096824 /nfs/dbraw/zinc/09/68/24/708096824.db2.gz CIVQVAJEHPEHPS-CYBMUJFWSA-N 1 2 328.351 1.162 20 30 EDEDLO CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033514898 708096827 /nfs/dbraw/zinc/09/68/27/708096827.db2.gz CIVQVAJEHPEHPS-CYBMUJFWSA-N 1 2 328.351 1.162 20 30 EDEDLO C=CCn1cc(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)C2)nn1 ZINC001061004591 708151292 /nfs/dbraw/zinc/15/12/92/708151292.db2.gz ASPRBPAQCGRNLO-ZDUSSCGKSA-N 1 2 327.392 1.137 20 30 EDEDLO CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033596041 708301044 /nfs/dbraw/zinc/30/10/44/708301044.db2.gz IIRCPADCPBCHTO-CVEARBPZSA-N 1 2 344.390 1.009 20 30 EDEDLO CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001033596041 708301047 /nfs/dbraw/zinc/30/10/47/708301047.db2.gz IIRCPADCPBCHTO-CVEARBPZSA-N 1 2 344.390 1.009 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001033596967 708302829 /nfs/dbraw/zinc/30/28/29/708302829.db2.gz PQDFHWNKMNBPRL-GFCCVEGCSA-N 1 2 347.802 1.469 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC001033596967 708302832 /nfs/dbraw/zinc/30/28/32/708302832.db2.gz PQDFHWNKMNBPRL-GFCCVEGCSA-N 1 2 347.802 1.469 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001033619198 708348688 /nfs/dbraw/zinc/34/86/88/708348688.db2.gz JNPQBYPLRQTMLM-LLVKDONJSA-N 1 2 347.806 1.629 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cn2)nc[nH]c3=O)C1 ZINC001033619198 708348692 /nfs/dbraw/zinc/34/86/92/708348692.db2.gz JNPQBYPLRQTMLM-LLVKDONJSA-N 1 2 347.806 1.629 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033797402 708728977 /nfs/dbraw/zinc/72/89/77/708728977.db2.gz ZHRCXPHKEJAENW-AWEZNQCLSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033797402 708728978 /nfs/dbraw/zinc/72/89/78/708728978.db2.gz ZHRCXPHKEJAENW-AWEZNQCLSA-N 1 2 327.388 1.919 20 30 EDEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001061086550 708933460 /nfs/dbraw/zinc/93/34/60/708933460.db2.gz NBZCXWCTGJNADV-CVEARBPZSA-N 1 2 344.459 1.792 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)Cn2nccn2)CC1 ZINC001005444724 709035079 /nfs/dbraw/zinc/03/50/79/709035079.db2.gz ITGQFUSEXJAQCD-UHFFFAOYSA-N 1 2 342.241 1.110 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(=O)n(CC)n2)C1 ZINC001033988849 709194884 /nfs/dbraw/zinc/19/48/84/709194884.db2.gz RYVZUOOPIGLXFL-CYBMUJFWSA-N 1 2 338.839 1.552 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(=O)n(CC)n2)C1 ZINC001033988849 709194886 /nfs/dbraw/zinc/19/48/86/709194886.db2.gz RYVZUOOPIGLXFL-CYBMUJFWSA-N 1 2 338.839 1.552 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2ccnn2C)C1 ZINC001034128507 709397880 /nfs/dbraw/zinc/39/78/80/709397880.db2.gz XJRVGMUBMYMUPY-LBPRGKRZSA-N 1 2 341.253 1.913 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2ccnn2C)C1 ZINC001034128507 709397882 /nfs/dbraw/zinc/39/78/82/709397882.db2.gz XJRVGMUBMYMUPY-LBPRGKRZSA-N 1 2 341.253 1.913 20 30 EDEDLO CCn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034166410 709440068 /nfs/dbraw/zinc/44/00/68/709440068.db2.gz WMKWUUPNEAJUIJ-HNNXBMFYSA-N 1 2 340.431 1.887 20 30 EDEDLO CCn1ccc(C[N@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034166410 709440070 /nfs/dbraw/zinc/44/00/70/709440070.db2.gz WMKWUUPNEAJUIJ-HNNXBMFYSA-N 1 2 340.431 1.887 20 30 EDEDLO C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001034216124 709570620 /nfs/dbraw/zinc/57/06/20/709570620.db2.gz DPBDKAZSFYOHPX-CQSZACIVSA-N 1 2 338.429 1.291 20 30 EDEDLO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001034216124 709570624 /nfs/dbraw/zinc/57/06/24/709570624.db2.gz DPBDKAZSFYOHPX-CQSZACIVSA-N 1 2 338.429 1.291 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H](NC(=O)c3ccns3)C2)C1=O ZINC001034229866 709586166 /nfs/dbraw/zinc/58/61/66/709586166.db2.gz WNCIGRSPKCKLIV-ZIAGYGMSSA-N 1 2 348.472 1.514 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H](NC(=O)c3ccns3)C2)C1=O ZINC001034229866 709586169 /nfs/dbraw/zinc/58/61/69/709586169.db2.gz WNCIGRSPKCKLIV-ZIAGYGMSSA-N 1 2 348.472 1.514 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC001034429264 709967353 /nfs/dbraw/zinc/96/73/53/709967353.db2.gz LFOHMPCCQVYKNS-ZFWWWQNUSA-N 1 2 341.883 1.968 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC001034429264 709967356 /nfs/dbraw/zinc/96/73/56/709967356.db2.gz LFOHMPCCQVYKNS-ZFWWWQNUSA-N 1 2 341.883 1.968 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N(C)C(=O)c3ccns3)C2)C1=O ZINC001033128504 711879545 /nfs/dbraw/zinc/87/95/45/711879545.db2.gz SSBYBHFAYBFDAY-OLZOCXBDSA-N 1 2 334.445 1.076 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](N(C)C(=O)c3ccns3)C2)C1=O ZINC001033128504 711879547 /nfs/dbraw/zinc/87/95/47/711879547.db2.gz SSBYBHFAYBFDAY-OLZOCXBDSA-N 1 2 334.445 1.076 20 30 EDEDLO Cc1noc(CCC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004498968 711889168 /nfs/dbraw/zinc/88/91/68/711889168.db2.gz JRGCCZZCQQJPII-HNNXBMFYSA-N 1 2 331.420 1.537 20 30 EDEDLO Cc1noc(CCC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004498968 711889169 /nfs/dbraw/zinc/88/91/69/711889169.db2.gz JRGCCZZCQQJPII-HNNXBMFYSA-N 1 2 331.420 1.537 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(C(N)=O)co2)CC1 ZINC001004545115 711956056 /nfs/dbraw/zinc/95/60/56/711956056.db2.gz YACCGGYSDFQBJX-CQSZACIVSA-N 1 2 330.388 1.219 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(C(N)=O)co2)CC1 ZINC001004545115 711956057 /nfs/dbraw/zinc/95/60/57/711956057.db2.gz YACCGGYSDFQBJX-CQSZACIVSA-N 1 2 330.388 1.219 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC001004595763 712036206 /nfs/dbraw/zinc/03/62/06/712036206.db2.gz IMUCGDSMTANJMO-CRAIPNDOSA-N 1 2 341.459 1.741 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC1 ZINC001004595763 712036208 /nfs/dbraw/zinc/03/62/08/712036208.db2.gz IMUCGDSMTANJMO-CRAIPNDOSA-N 1 2 341.459 1.741 20 30 EDEDLO COc1ncc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004604142 712053438 /nfs/dbraw/zinc/05/34/38/712053438.db2.gz VEKJCTZIEYMBFI-HNNXBMFYSA-N 1 2 329.404 1.325 20 30 EDEDLO COc1ncc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004604142 712053439 /nfs/dbraw/zinc/05/34/39/712053439.db2.gz VEKJCTZIEYMBFI-HNNXBMFYSA-N 1 2 329.404 1.325 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000054875238 214259554 /nfs/dbraw/zinc/25/95/54/214259554.db2.gz BITORSLOOCOPSC-UHFFFAOYSA-N 1 2 330.388 1.058 20 30 EDEDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)NC1CCCCCC1 ZINC000329304060 539427545 /nfs/dbraw/zinc/42/75/45/539427545.db2.gz AERVCIOSWYEASF-UHFFFAOYSA-N 1 2 335.452 2.264 20 30 EDEDLO CCn1nc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c(=O)c2ccccc21 ZINC000329593469 539445807 /nfs/dbraw/zinc/44/58/07/539445807.db2.gz ZQSQVBDRCLXPAW-LBPRGKRZSA-N 1 2 330.388 1.052 20 30 EDEDLO CCn1nc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(=O)c2ccccc21 ZINC000329593469 539445811 /nfs/dbraw/zinc/44/58/11/539445811.db2.gz ZQSQVBDRCLXPAW-LBPRGKRZSA-N 1 2 330.388 1.052 20 30 EDEDLO N#Cc1cccc(-c2nnc(CN3CC[C@@H]([NH+]4CCOCC4)C3)o2)c1 ZINC000329739849 539461543 /nfs/dbraw/zinc/46/15/43/539461543.db2.gz NSHQTIZLIILPSU-MRXNPFEDSA-N 1 2 339.399 1.515 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000356403049 283140677 /nfs/dbraw/zinc/14/06/77/283140677.db2.gz HFPQOAXBYQJFSV-LBPRGKRZSA-N 1 2 347.362 1.830 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000356403049 283140680 /nfs/dbraw/zinc/14/06/80/283140680.db2.gz HFPQOAXBYQJFSV-LBPRGKRZSA-N 1 2 347.362 1.830 20 30 EDEDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000077497961 138252840 /nfs/dbraw/zinc/25/28/40/138252840.db2.gz BHQYPPIQYSYHSA-UHFFFAOYSA-N 1 2 347.394 1.325 20 30 EDEDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000077497961 138252841 /nfs/dbraw/zinc/25/28/41/138252841.db2.gz BHQYPPIQYSYHSA-UHFFFAOYSA-N 1 2 347.394 1.325 20 30 EDEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(F)c(C#N)c1 ZINC000176878203 138714227 /nfs/dbraw/zinc/71/42/27/138714227.db2.gz FASLBXQGRBSMQQ-UHFFFAOYSA-N 1 2 335.379 1.005 20 30 EDEDLO N#CC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCOCC1 ZINC000109139262 237108236 /nfs/dbraw/zinc/10/82/36/237108236.db2.gz LVKLEVKCNADZFS-QGZVFWFLSA-N 1 2 343.427 1.496 20 30 EDEDLO COCCNC(=O)C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000176992387 237365056 /nfs/dbraw/zinc/36/50/56/237365056.db2.gz KSSUUHXJFLNBJX-UHFFFAOYSA-N 1 2 349.862 1.072 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000129907563 223102849 /nfs/dbraw/zinc/10/28/49/223102849.db2.gz DLOCQROPSVCEDP-UHFFFAOYSA-N 1 2 325.372 1.550 20 30 EDEDLO C#CC[NH+](CC#C)CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000072906801 216327211 /nfs/dbraw/zinc/32/72/11/216327211.db2.gz SQKBPXWUVYDTJQ-QGZVFWFLSA-N 1 2 340.423 1.936 20 30 EDEDLO N#Cc1cc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)ccn1 ZINC000195120299 139007444 /nfs/dbraw/zinc/00/74/44/139007444.db2.gz BGFNHXNJXCQKKA-UHFFFAOYSA-N 1 2 346.394 1.559 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000110921232 220079216 /nfs/dbraw/zinc/07/92/16/220079216.db2.gz SXKANOFICDFNQP-HNNXBMFYSA-N 1 2 331.416 1.506 20 30 EDEDLO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000111635958 220173200 /nfs/dbraw/zinc/17/32/00/220173200.db2.gz UPOTYNQRGPNDPK-LBPRGKRZSA-N 1 2 334.445 1.573 20 30 EDEDLO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000111635958 220173203 /nfs/dbraw/zinc/17/32/03/220173203.db2.gz UPOTYNQRGPNDPK-LBPRGKRZSA-N 1 2 334.445 1.573 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000266391717 249347627 /nfs/dbraw/zinc/34/76/27/249347627.db2.gz KAKRXNQULHHMMH-AWEZNQCLSA-N 1 2 334.395 1.205 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000266391717 249347629 /nfs/dbraw/zinc/34/76/29/249347629.db2.gz KAKRXNQULHHMMH-AWEZNQCLSA-N 1 2 334.395 1.205 20 30 EDEDLO Cc1nc(CC(N)=[NH+]OCCCN2C(=O)NC(C)(C)C2=O)cs1 ZINC000270196272 249390185 /nfs/dbraw/zinc/39/01/85/249390185.db2.gz BJDYINMHWHGKMN-UHFFFAOYSA-N 1 2 339.421 1.003 20 30 EDEDLO C=CCOc1cccc(CN(CC[NH+]2CCOCC2)CC(=O)OC)c1 ZINC000271215192 249435360 /nfs/dbraw/zinc/43/53/60/249435360.db2.gz ZYBQVAIGWNKHIM-UHFFFAOYSA-N 1 2 348.443 1.559 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc(OC)c(F)c3)CC2)C1=O ZINC000282132145 249518007 /nfs/dbraw/zinc/51/80/07/249518007.db2.gz YUYQXVVGMROWPX-INIZCTEOSA-N 1 2 333.407 1.743 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000091936870 218092811 /nfs/dbraw/zinc/09/28/11/218092811.db2.gz BUMYRELQRZKLKS-LLVKDONJSA-N 1 2 342.428 1.219 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(C(N)=O)cs1 ZINC000091936870 218092812 /nfs/dbraw/zinc/09/28/12/218092812.db2.gz BUMYRELQRZKLKS-LLVKDONJSA-N 1 2 342.428 1.219 20 30 EDEDLO N#CCCCCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000343148810 250010947 /nfs/dbraw/zinc/01/09/47/250010947.db2.gz MLQHGCYVOQMTLB-UHFFFAOYSA-N 1 2 328.416 1.141 20 30 EDEDLO C=CCCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000343140926 250011812 /nfs/dbraw/zinc/01/18/12/250011812.db2.gz FBGPFZGPWOFDAU-UHFFFAOYSA-N 1 2 330.363 1.710 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2noc(-c3ccsc3)n2)CC1 ZINC000353115229 250080989 /nfs/dbraw/zinc/08/09/89/250080989.db2.gz VEFUDDXCWHJSMA-UHFFFAOYSA-N 1 2 347.444 1.218 20 30 EDEDLO CC[C@](C)(C#N)C(=O)N(C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354946644 250102521 /nfs/dbraw/zinc/10/25/21/250102521.db2.gz JTOJCVRHNLBTDH-JJRVBVJISA-N 1 2 335.427 1.731 20 30 EDEDLO C=CCOc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000354920231 250102633 /nfs/dbraw/zinc/10/26/33/250102633.db2.gz XNAMFAYPNDSRCH-OAHLLOKOSA-N 1 2 346.427 1.866 20 30 EDEDLO C=CCOc1ccccc1C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000354920231 250102639 /nfs/dbraw/zinc/10/26/39/250102639.db2.gz XNAMFAYPNDSRCH-OAHLLOKOSA-N 1 2 346.427 1.866 20 30 EDEDLO C#CC[C@H](NC(=O)N1CCC[N@@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000362117465 250177624 /nfs/dbraw/zinc/17/76/24/250177624.db2.gz HPNQYDZGZRDVAP-KRWDZBQOSA-N 1 2 342.443 1.214 20 30 EDEDLO C#CC[C@H](NC(=O)N1CCC[N@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000362117465 250177627 /nfs/dbraw/zinc/17/76/27/250177627.db2.gz HPNQYDZGZRDVAP-KRWDZBQOSA-N 1 2 342.443 1.214 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000372610397 250222985 /nfs/dbraw/zinc/22/29/85/250222985.db2.gz CKYHLTONUYSCKZ-CYBMUJFWSA-N 1 2 349.410 1.133 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000372610397 250222988 /nfs/dbraw/zinc/22/29/88/250222988.db2.gz CKYHLTONUYSCKZ-CYBMUJFWSA-N 1 2 349.410 1.133 20 30 EDEDLO C#CC[C@H](C)NC(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000373587391 250241462 /nfs/dbraw/zinc/24/14/62/250241462.db2.gz WUJPLEYPUSOVCK-HNNXBMFYSA-N 1 2 343.475 1.767 20 30 EDEDLO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000373910361 250248234 /nfs/dbraw/zinc/24/82/34/250248234.db2.gz NICXAMQVBYRPOI-CLCXKQKWSA-N 1 2 343.427 1.509 20 30 EDEDLO CCCCOC[C@H](O)C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000373910361 250248238 /nfs/dbraw/zinc/24/82/38/250248238.db2.gz NICXAMQVBYRPOI-CLCXKQKWSA-N 1 2 343.427 1.509 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093843592 218254541 /nfs/dbraw/zinc/25/45/41/218254541.db2.gz ONVOUNGAWJRWPW-CQSZACIVSA-N 1 2 332.473 1.748 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093843592 218254544 /nfs/dbraw/zinc/25/45/44/218254544.db2.gz ONVOUNGAWJRWPW-CQSZACIVSA-N 1 2 332.473 1.748 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1)C1CC1 ZINC000374879893 250274609 /nfs/dbraw/zinc/27/46/09/250274609.db2.gz KRHRLGHAVIOMRM-QZTJIDSGSA-N 1 2 331.391 1.527 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1)C1CC1 ZINC000374879893 250274613 /nfs/dbraw/zinc/27/46/13/250274613.db2.gz KRHRLGHAVIOMRM-QZTJIDSGSA-N 1 2 331.391 1.527 20 30 EDEDLO C=CCCCNC(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000411485395 250554274 /nfs/dbraw/zinc/55/42/74/250554274.db2.gz QKWIEATXOXRRFW-UHFFFAOYSA-N 1 2 342.399 1.983 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000489023549 255062381 /nfs/dbraw/zinc/06/23/81/255062381.db2.gz ZUUHIYFLOYFICN-MRXNPFEDSA-N 1 2 344.459 1.443 20 30 EDEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489118395 255065139 /nfs/dbraw/zinc/06/51/39/255065139.db2.gz SVSXNQXPOLJQGK-UHFFFAOYSA-N 1 2 334.376 1.637 20 30 EDEDLO CN1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)c2ccc[nH+]c21 ZINC000489586243 255069273 /nfs/dbraw/zinc/06/92/73/255069273.db2.gz OSFBQXYTWQBTDN-UHFFFAOYSA-N 1 2 332.360 1.737 20 30 EDEDLO C#CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490616114 255094708 /nfs/dbraw/zinc/09/47/08/255094708.db2.gz IJVIVONZGFOGDX-MRXNPFEDSA-N 1 2 343.408 1.135 20 30 EDEDLO C#CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490649692 255097196 /nfs/dbraw/zinc/09/71/96/255097196.db2.gz JADWFTFWEMWNPG-MRXNPFEDSA-N 1 2 343.408 1.135 20 30 EDEDLO C#CCN(CC)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000490652612 255097739 /nfs/dbraw/zinc/09/77/39/255097739.db2.gz ZMKCYMIBXGSBQU-SFHVURJKSA-N 1 2 329.444 1.595 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)OCC)cc2)CC1 ZINC000490763555 255105996 /nfs/dbraw/zinc/10/59/96/255105996.db2.gz UCJVNDRRDHVVKZ-UHFFFAOYSA-N 1 2 329.400 1.053 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC000490951335 255112290 /nfs/dbraw/zinc/11/22/90/255112290.db2.gz WVDQRWAFRILZBS-MRXNPFEDSA-N 1 2 335.492 1.733 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC000490951335 255112292 /nfs/dbraw/zinc/11/22/92/255112292.db2.gz WVDQRWAFRILZBS-MRXNPFEDSA-N 1 2 335.492 1.733 20 30 EDEDLO C#C[C@H]1COCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000491714369 255144712 /nfs/dbraw/zinc/14/47/12/255144712.db2.gz GJJLHWICPWTIMV-KBPBESRZSA-N 1 2 340.217 1.523 20 30 EDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000491714369 255144714 /nfs/dbraw/zinc/14/47/14/255144714.db2.gz GJJLHWICPWTIMV-KBPBESRZSA-N 1 2 340.217 1.523 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000492186793 255160884 /nfs/dbraw/zinc/16/08/84/255160884.db2.gz DLGNNFOAHDYYLT-STQMWFEESA-N 1 2 336.436 1.536 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000492186793 255160885 /nfs/dbraw/zinc/16/08/85/255160885.db2.gz DLGNNFOAHDYYLT-STQMWFEESA-N 1 2 336.436 1.536 20 30 EDEDLO CCOC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000493872760 255224115 /nfs/dbraw/zinc/22/41/15/255224115.db2.gz IHHHTFDDXSIMFB-RHSMWYFYSA-N 1 2 338.452 1.594 20 30 EDEDLO CCOC(=O)N1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000493872760 255224116 /nfs/dbraw/zinc/22/41/16/255224116.db2.gz IHHHTFDDXSIMFB-RHSMWYFYSA-N 1 2 338.452 1.594 20 30 EDEDLO COc1cc(OC)c(OC)cc1/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493110253 255191827 /nfs/dbraw/zinc/19/18/27/255191827.db2.gz ZMSSNLIHMWQIHR-ZEVQVBBLSA-N 1 2 347.415 1.686 20 30 EDEDLO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CC(=O)NCC#N)C1 ZINC000495687824 255315775 /nfs/dbraw/zinc/31/57/75/255315775.db2.gz MAJNVOAUAYHUMY-GJZGRUSLSA-N 1 2 336.436 1.349 20 30 EDEDLO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2CC(=O)NCC#N)C1 ZINC000495687824 255315776 /nfs/dbraw/zinc/31/57/76/255315776.db2.gz MAJNVOAUAYHUMY-GJZGRUSLSA-N 1 2 336.436 1.349 20 30 EDEDLO C=C[C@@H](C)ONC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496204045 255363906 /nfs/dbraw/zinc/36/39/06/255363906.db2.gz GIZSZNFAYZOWEL-CYBMUJFWSA-N 1 2 327.425 1.552 20 30 EDEDLO Cc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1N1CCOC1=O ZINC000496380619 255389560 /nfs/dbraw/zinc/38/95/60/255389560.db2.gz RANJVEOOVJOKFN-HNNXBMFYSA-N 1 2 332.404 1.570 20 30 EDEDLO Cc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1N1CCOC1=O ZINC000496380619 255389561 /nfs/dbraw/zinc/38/95/61/255389561.db2.gz RANJVEOOVJOKFN-HNNXBMFYSA-N 1 2 332.404 1.570 20 30 EDEDLO Cc1cc(C[NH+]2CCN(S(=O)(=O)NC(C)C)CC2)ccc1C#N ZINC000331349101 141010274 /nfs/dbraw/zinc/01/02/74/141010274.db2.gz XPHPQTFJESNHNE-UHFFFAOYSA-N 1 2 336.461 1.227 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000333437705 141316915 /nfs/dbraw/zinc/31/69/15/141316915.db2.gz LFDDUWMYTXEPIG-UHFFFAOYSA-N 1 2 332.379 1.361 20 30 EDEDLO CC(C)(C)c1csc(NC(=O)C(=O)NCCn2cc[nH+]c2)c1C#N ZINC000339843568 142174565 /nfs/dbraw/zinc/17/45/65/142174565.db2.gz KNTMJOKSPVBPHZ-UHFFFAOYSA-N 1 2 345.428 1.869 20 30 EDEDLO Cc1nc(N(C)CCOCc2ccc(C#N)cc2)nc(N(C)C)[nH+]1 ZINC000341065451 149060678 /nfs/dbraw/zinc/06/06/78/149060678.db2.gz NPCZAFVQEQEUTM-UHFFFAOYSA-N 1 2 326.404 1.771 20 30 EDEDLO Cc1nc(N(C)C)nc(N(C)CCOCc2ccc(C#N)cc2)[nH+]1 ZINC000341065451 149060681 /nfs/dbraw/zinc/06/06/81/149060681.db2.gz NPCZAFVQEQEUTM-UHFFFAOYSA-N 1 2 326.404 1.771 20 30 EDEDLO C[C@H](C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1)n1cnc(C#N)n1 ZINC000352784251 149164257 /nfs/dbraw/zinc/16/42/57/149164257.db2.gz NJUDSECWYPTCAC-IUODEOHRSA-N 1 2 335.371 1.682 20 30 EDEDLO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000353233035 149334081 /nfs/dbraw/zinc/33/40/81/149334081.db2.gz MCQZRDUYGXKCGO-UHFFFAOYSA-N 1 2 344.806 1.261 20 30 EDEDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000369973062 155260141 /nfs/dbraw/zinc/26/01/41/155260141.db2.gz JFVOJCOEHAIXBU-CVEARBPZSA-N 1 2 345.399 1.539 20 30 EDEDLO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000369973062 155260144 /nfs/dbraw/zinc/26/01/44/155260144.db2.gz JFVOJCOEHAIXBU-CVEARBPZSA-N 1 2 345.399 1.539 20 30 EDEDLO COC(=O)CN1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000370027970 155288524 /nfs/dbraw/zinc/28/85/24/155288524.db2.gz SHBOJQILBFHQFY-CQSZACIVSA-N 1 2 344.415 1.066 20 30 EDEDLO COC(=O)CN1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000370027970 155288527 /nfs/dbraw/zinc/28/85/27/155288527.db2.gz SHBOJQILBFHQFY-CQSZACIVSA-N 1 2 344.415 1.066 20 30 EDEDLO COc1cc(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)ccc1C#N ZINC000357785274 151150653 /nfs/dbraw/zinc/15/06/53/151150653.db2.gz XOGGNBRUHBXUFX-UHFFFAOYSA-N 1 2 346.431 1.477 20 30 EDEDLO COc1cc(CNC(=O)NCC[N@H+]2CCOCC2(C)C)ccc1C#N ZINC000357785274 151150654 /nfs/dbraw/zinc/15/06/54/151150654.db2.gz XOGGNBRUHBXUFX-UHFFFAOYSA-N 1 2 346.431 1.477 20 30 EDEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1c[nH+]cn1C ZINC000358120490 151278642 /nfs/dbraw/zinc/27/86/42/151278642.db2.gz PPQMMZAVKTUZNO-UHFFFAOYSA-N 1 2 327.388 1.650 20 30 EDEDLO COC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000360402937 152023018 /nfs/dbraw/zinc/02/30/18/152023018.db2.gz YGABFZPMXLHWLQ-ZFWWWQNUSA-N 1 2 341.367 1.075 20 30 EDEDLO COC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000360402937 152023021 /nfs/dbraw/zinc/02/30/21/152023021.db2.gz YGABFZPMXLHWLQ-ZFWWWQNUSA-N 1 2 341.367 1.075 20 30 EDEDLO Cn1cc(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1C#N ZINC000364472658 153247531 /nfs/dbraw/zinc/24/75/31/153247531.db2.gz NZJWLZANYXKYDU-UHFFFAOYSA-N 1 2 344.440 1.679 20 30 EDEDLO Cn1cc(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1C#N ZINC000364472658 153247534 /nfs/dbraw/zinc/24/75/34/153247534.db2.gz NZJWLZANYXKYDU-UHFFFAOYSA-N 1 2 344.440 1.679 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367075926 154001298 /nfs/dbraw/zinc/00/12/98/154001298.db2.gz KCCYVOZDMIDJST-HNNXBMFYSA-N 1 2 325.372 1.575 20 30 EDEDLO N#Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)c1 ZINC000367213142 154042780 /nfs/dbraw/zinc/04/27/80/154042780.db2.gz MGBHWGXDYUGAGA-UHFFFAOYSA-N 1 2 346.394 1.586 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C#N)nc1)C1CCOCC1 ZINC000367492572 154148210 /nfs/dbraw/zinc/14/82/10/154148210.db2.gz IPJCQKLCGYGHOI-OAHLLOKOSA-N 1 2 325.372 1.584 20 30 EDEDLO Cc1nsc(N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)c1C#N ZINC000367940294 154336947 /nfs/dbraw/zinc/33/69/47/154336947.db2.gz ZDFGLVPMPWPODT-UHFFFAOYSA-N 1 2 335.477 1.750 20 30 EDEDLO Cc1nsc(N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)c1C#N ZINC000367940294 154336949 /nfs/dbraw/zinc/33/69/49/154336949.db2.gz ZDFGLVPMPWPODT-UHFFFAOYSA-N 1 2 335.477 1.750 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374333770 157250611 /nfs/dbraw/zinc/25/06/11/157250611.db2.gz SFNJAKDHVMDAEW-CQSZACIVSA-N 1 2 337.383 1.555 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000378379006 158157804 /nfs/dbraw/zinc/15/78/04/158157804.db2.gz RGAZXALXBJZWIE-AWEZNQCLSA-N 1 2 337.470 1.370 20 30 EDEDLO COC(=O)[C@@H](c1ccccc1F)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943450 287326294 /nfs/dbraw/zinc/32/62/94/287326294.db2.gz FRSGCWQYERHQFJ-OAHLLOKOSA-N 1 2 345.378 1.781 20 30 EDEDLO COC(=O)[C@@H](c1ccccc1F)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000089943450 287326295 /nfs/dbraw/zinc/32/62/95/287326295.db2.gz FRSGCWQYERHQFJ-OAHLLOKOSA-N 1 2 345.378 1.781 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000120078417 287358080 /nfs/dbraw/zinc/35/80/80/287358080.db2.gz DHMXJZXHBKUSEB-LSDHHAIUSA-N 1 2 344.415 1.684 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000120078417 287358081 /nfs/dbraw/zinc/35/80/81/287358081.db2.gz DHMXJZXHBKUSEB-LSDHHAIUSA-N 1 2 344.415 1.684 20 30 EDEDLO Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)o1 ZINC000527523599 269923616 /nfs/dbraw/zinc/92/36/16/269923616.db2.gz MNVWNBBYDYYKGV-LBPRGKRZSA-N 1 2 342.403 1.473 20 30 EDEDLO CCCn1c(C)nnc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292300637 270010842 /nfs/dbraw/zinc/01/08/42/270010842.db2.gz UVNKIEPIVPBWFJ-HNNXBMFYSA-N 1 2 326.404 1.917 20 30 EDEDLO CCCn1c(C)nnc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292300637 270010843 /nfs/dbraw/zinc/01/08/43/270010843.db2.gz UVNKIEPIVPBWFJ-HNNXBMFYSA-N 1 2 326.404 1.917 20 30 EDEDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000294771236 266256143 /nfs/dbraw/zinc/25/61/43/266256143.db2.gz KDIBFGGKXUSKGZ-HSZRJFAPSA-N 1 2 334.441 1.834 20 30 EDEDLO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000294828422 266256581 /nfs/dbraw/zinc/25/65/81/266256581.db2.gz PTKUUXZJNRFYHW-QHCPKHFHSA-N 1 2 334.441 1.834 20 30 EDEDLO C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000173190373 267172504 /nfs/dbraw/zinc/17/25/04/267172504.db2.gz WWSBLANNFJQSJA-GJZGRUSLSA-N 1 2 346.431 1.345 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000291522966 267198679 /nfs/dbraw/zinc/19/86/79/267198679.db2.gz VHLGUXMOPAUONV-RVKKMQEKSA-N 1 2 343.427 1.647 20 30 EDEDLO C[C@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000289485916 267217122 /nfs/dbraw/zinc/21/71/22/267217122.db2.gz OOXDOJSBZIQPLH-WFASDCNBSA-N 1 2 331.401 1.422 20 30 EDEDLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489580829 267295486 /nfs/dbraw/zinc/29/54/86/267295486.db2.gz RXMZGMQVZGYALE-UHFFFAOYSA-N 1 2 334.376 1.983 20 30 EDEDLO Cc1cc(NCCS(=O)(=O)N2CCSCC2)c(C#N)c(C)[nH+]1 ZINC000301807814 267347326 /nfs/dbraw/zinc/34/73/26/267347326.db2.gz YHQYVYMOBZMABP-UHFFFAOYSA-N 1 2 340.474 1.361 20 30 EDEDLO Cc1cccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c1C#N ZINC000178859045 267593089 /nfs/dbraw/zinc/59/30/89/267593089.db2.gz FCQMQFHQTNUHMJ-UHFFFAOYSA-N 1 2 326.381 1.993 20 30 EDEDLO Cc1nc2cncc(N3CCN(c4cc(C)[nH+]cc4C#N)CC3)n2n1 ZINC000425258946 268080185 /nfs/dbraw/zinc/08/01/85/268080185.db2.gz UPCZSCMDCHFCLS-UHFFFAOYSA-N 1 2 334.387 1.334 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000451446680 268111261 /nfs/dbraw/zinc/11/12/61/268111261.db2.gz QMWAGYSSABPGDW-GOSISDBHSA-N 1 2 346.431 1.433 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1Cl ZINC000420447666 268255874 /nfs/dbraw/zinc/25/58/74/268255874.db2.gz QOTYUOSURASVKO-JTQLQIEISA-N 1 2 349.790 1.735 20 30 EDEDLO N#Cc1ccccc1N1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000284143262 268276222 /nfs/dbraw/zinc/27/62/22/268276222.db2.gz OXOAGNMUAGBRNX-HNNXBMFYSA-N 1 2 333.457 1.505 20 30 EDEDLO Cn1cc([C@H](CO)[NH2+]Cc2ccc(C#N)cc2Br)cn1 ZINC000275184952 268292960 /nfs/dbraw/zinc/29/29/60/268292960.db2.gz NTOCZSAMIJCWQT-AWEZNQCLSA-N 1 2 335.205 1.877 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000528461734 268296259 /nfs/dbraw/zinc/29/62/59/268296259.db2.gz VTAMMWZUYZSXIE-ZWKOTPCHSA-N 1 2 346.427 1.425 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000528461734 268296261 /nfs/dbraw/zinc/29/62/61/268296261.db2.gz VTAMMWZUYZSXIE-ZWKOTPCHSA-N 1 2 346.427 1.425 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000528501892 268301689 /nfs/dbraw/zinc/30/16/89/268301689.db2.gz FMDNVYFIFVDOJM-ZIAGYGMSSA-N 1 2 326.343 1.654 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1CC(F)F ZINC000528501892 268301691 /nfs/dbraw/zinc/30/16/91/268301691.db2.gz FMDNVYFIFVDOJM-ZIAGYGMSSA-N 1 2 326.343 1.654 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CCN1C ZINC000275561901 268360991 /nfs/dbraw/zinc/36/09/91/268360991.db2.gz PVQYJGYTHQUDGY-OAHLLOKOSA-N 1 2 342.378 1.951 20 30 EDEDLO C#C[C@@H](CC)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000490739460 277701553 /nfs/dbraw/zinc/70/15/53/277701553.db2.gz IKBAKKLJMUGUCS-JJRVBVJISA-N 1 2 330.432 1.638 20 30 EDEDLO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000420990870 278180264 /nfs/dbraw/zinc/18/02/64/278180264.db2.gz VFZPGKUUYGUOII-BBRMVZONSA-N 1 2 346.406 1.671 20 30 EDEDLO CC(=O)N[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000420990870 278180265 /nfs/dbraw/zinc/18/02/65/278180265.db2.gz VFZPGKUUYGUOII-BBRMVZONSA-N 1 2 346.406 1.671 20 30 EDEDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000326390834 288298193 /nfs/dbraw/zinc/29/81/93/288298193.db2.gz JLYKGECINHVXCP-WBVHZDCISA-N 1 2 347.484 1.891 20 30 EDEDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000326390834 288298195 /nfs/dbraw/zinc/29/81/95/288298195.db2.gz JLYKGECINHVXCP-WBVHZDCISA-N 1 2 347.484 1.891 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000378064937 289044574 /nfs/dbraw/zinc/04/45/74/289044574.db2.gz YUOYHMBPUJMQDW-CRAIPNDOSA-N 1 2 339.439 1.911 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425873895 447343293 /nfs/dbraw/zinc/34/32/93/447343293.db2.gz QTMQIRKQRUPAQY-ZIAGYGMSSA-N 1 2 339.399 1.479 20 30 EDEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000414896432 447347438 /nfs/dbraw/zinc/34/74/38/447347438.db2.gz BRIUKRQUIBHQDW-HZPDHXFCSA-N 1 2 349.394 1.901 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000435154512 305136505 /nfs/dbraw/zinc/13/65/05/305136505.db2.gz UCDYBYARMAABDN-UHFFFAOYSA-N 1 2 342.378 1.781 20 30 EDEDLO CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@]3(C#N)C[C@H]3C)CC2)cn1 ZINC000448922920 447356475 /nfs/dbraw/zinc/35/64/75/447356475.db2.gz STVYFCPTAIIYKU-QAPCUYQASA-N 1 2 329.448 1.877 20 30 EDEDLO CCCn1cc(C[N@H+]2CCCN(C(=O)[C@]3(C#N)C[C@H]3C)CC2)cn1 ZINC000448922920 447356482 /nfs/dbraw/zinc/35/64/82/447356482.db2.gz STVYFCPTAIIYKU-QAPCUYQASA-N 1 2 329.448 1.877 20 30 EDEDLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC(C#N)CC1 ZINC000057876912 441140006 /nfs/dbraw/zinc/14/00/06/441140006.db2.gz XBXXPELYAZLGES-HIFRSBDPSA-N 1 2 329.400 1.567 20 30 EDEDLO CC(C)(CNS(=O)(=O)Cc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000016729260 441231551 /nfs/dbraw/zinc/23/15/51/441231551.db2.gz LATORLZOEOAGKR-UHFFFAOYSA-N 1 2 337.445 1.088 20 30 EDEDLO CCC(CC)C[N@H+](CCC#N)CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000072692946 441251020 /nfs/dbraw/zinc/25/10/20/441251020.db2.gz GLKGPJRRUUPJKT-QGZVFWFLSA-N 1 2 336.480 1.765 20 30 EDEDLO CCC(CC)C[N@@H+](CCC#N)CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000072692946 441251021 /nfs/dbraw/zinc/25/10/21/441251021.db2.gz GLKGPJRRUUPJKT-QGZVFWFLSA-N 1 2 336.480 1.765 20 30 EDEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000072979359 441282038 /nfs/dbraw/zinc/28/20/38/441282038.db2.gz DLUXZYSPTVBESJ-UHFFFAOYSA-N 1 2 343.399 1.965 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000022837116 441285751 /nfs/dbraw/zinc/28/57/51/441285751.db2.gz WXKASZOETGODSA-UHFFFAOYSA-N 1 2 348.422 1.345 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000022837116 441285756 /nfs/dbraw/zinc/28/57/56/441285756.db2.gz WXKASZOETGODSA-UHFFFAOYSA-N 1 2 348.422 1.345 20 30 EDEDLO COc1ccc(CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)C#N)cc1OC ZINC000064795648 441392281 /nfs/dbraw/zinc/39/22/81/441392281.db2.gz BPKPZHSFYPMCFY-KBPBESRZSA-N 1 2 333.432 1.842 20 30 EDEDLO COc1ccc(CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C#N)cc1OC ZINC000064795648 441392285 /nfs/dbraw/zinc/39/22/85/441392285.db2.gz BPKPZHSFYPMCFY-KBPBESRZSA-N 1 2 333.432 1.842 20 30 EDEDLO CCN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@@H](C)C#N ZINC000064248953 441368373 /nfs/dbraw/zinc/36/83/73/441368373.db2.gz CUCSPXDXTOXQIU-HNNXBMFYSA-N 1 2 334.489 1.874 20 30 EDEDLO CC[N@@H+](CC(=O)NCc1cc(OC)c(OC)cc1OC)C[C@@H](C)C#N ZINC000049982464 441368465 /nfs/dbraw/zinc/36/84/65/441368465.db2.gz XTQDMTNMYSYGMK-ZDUSSCGKSA-N 1 2 349.431 1.810 20 30 EDEDLO CC[N@H+](CC(=O)NCc1cc(OC)c(OC)cc1OC)C[C@@H](C)C#N ZINC000049982464 441368470 /nfs/dbraw/zinc/36/84/70/441368470.db2.gz XTQDMTNMYSYGMK-ZDUSSCGKSA-N 1 2 349.431 1.810 20 30 EDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)OCCO3)cc1Cl ZINC000028077214 441426249 /nfs/dbraw/zinc/42/62/49/441426249.db2.gz LWYHNOAADFNXIM-UHFFFAOYSA-N 1 2 335.791 1.989 20 30 EDEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447018 441459639 /nfs/dbraw/zinc/45/96/39/441459639.db2.gz DTOIZNOEMDZHAH-QGZVFWFLSA-N 1 2 341.459 1.866 20 30 EDEDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445392 441460004 /nfs/dbraw/zinc/46/00/04/441460004.db2.gz KGVLIUJZDLPRMM-HNNXBMFYSA-N 1 2 341.459 1.913 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607986 441515271 /nfs/dbraw/zinc/51/52/71/441515271.db2.gz ZQXKUZFQSQRHCD-NSHDSACASA-N 1 2 332.360 1.353 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607986 441515273 /nfs/dbraw/zinc/51/52/73/441515273.db2.gz ZQXKUZFQSQRHCD-NSHDSACASA-N 1 2 332.360 1.353 20 30 EDEDLO C=CC[N@@H+](CCOc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000066561107 441544023 /nfs/dbraw/zinc/54/40/23/441544023.db2.gz CVRWNLWBUWDCBX-CQSZACIVSA-N 1 2 325.430 1.749 20 30 EDEDLO C=CC[N@H+](CCOc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000066561107 441544027 /nfs/dbraw/zinc/54/40/27/441544027.db2.gz CVRWNLWBUWDCBX-CQSZACIVSA-N 1 2 325.430 1.749 20 30 EDEDLO Cc1nc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)ccc1C#N ZINC000032355223 441552600 /nfs/dbraw/zinc/55/26/00/441552600.db2.gz HPEGINRSLYHFLD-UHFFFAOYSA-N 1 2 337.383 1.423 20 30 EDEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC000075833122 441558036 /nfs/dbraw/zinc/55/80/36/441558036.db2.gz CZXPFYCMFUONKO-MRXNPFEDSA-N 1 2 336.386 1.673 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2O)CC1 ZINC000032831124 441574841 /nfs/dbraw/zinc/57/48/41/441574841.db2.gz MWIKBUYBTIUSFU-BEFAXECRSA-N 1 2 344.459 1.957 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000114731039 441679678 /nfs/dbraw/zinc/67/96/78/441679678.db2.gz PIPLVIQAVHSJGZ-ZDUSSCGKSA-N 1 2 349.381 1.251 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000114731039 441679681 /nfs/dbraw/zinc/67/96/81/441679681.db2.gz PIPLVIQAVHSJGZ-ZDUSSCGKSA-N 1 2 349.381 1.251 20 30 EDEDLO N#Cc1ccc(CSCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000114856053 441690945 /nfs/dbraw/zinc/69/09/45/441690945.db2.gz UOHIBEKOVKQZTJ-QGZVFWFLSA-N 1 2 345.468 1.771 20 30 EDEDLO N#Cc1ccc(CSCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000114856053 441690946 /nfs/dbraw/zinc/69/09/46/441690946.db2.gz UOHIBEKOVKQZTJ-QGZVFWFLSA-N 1 2 345.468 1.771 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858393 441692068 /nfs/dbraw/zinc/69/20/68/441692068.db2.gz KSCHPVGTUFIMRD-BBRMVZONSA-N 1 2 329.400 1.305 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114858393 441692072 /nfs/dbraw/zinc/69/20/72/441692072.db2.gz KSCHPVGTUFIMRD-BBRMVZONSA-N 1 2 329.400 1.305 20 30 EDEDLO N#Cc1ccc([C@@H](Nc2ccc(N3CCOCC3)[nH+]c2)C(N)=O)cc1 ZINC000115596131 441763300 /nfs/dbraw/zinc/76/33/00/441763300.db2.gz QIBJLBAPUWKQDA-QGZVFWFLSA-N 1 2 337.383 1.428 20 30 EDEDLO N#Cc1cccnc1N1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068254057 441763392 /nfs/dbraw/zinc/76/33/92/441763392.db2.gz KIKUCMCGKWZISI-UHFFFAOYSA-N 1 2 332.367 1.563 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(F)c2)C(N)=O)cc1 ZINC000115598780 441764285 /nfs/dbraw/zinc/76/42/85/441764285.db2.gz HALUTLQPVOTZAX-MRXNPFEDSA-N 1 2 326.331 1.452 20 30 EDEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000121848660 441794885 /nfs/dbraw/zinc/79/48/85/441794885.db2.gz UPFUFHCAGXLIRE-GFCCVEGCSA-N 1 2 348.384 1.101 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(C)o1 ZINC000143250952 441870672 /nfs/dbraw/zinc/87/06/72/441870672.db2.gz ONOGAYGOAYAKFF-UHFFFAOYSA-N 1 2 340.383 1.964 20 30 EDEDLO CCC(CC)[C@H](C(=O)Nc1ccn(CCC#N)n1)[NH+]1CCOCC1 ZINC000173817169 441844286 /nfs/dbraw/zinc/84/42/86/441844286.db2.gz NKTPMBJRPSURMS-MRXNPFEDSA-N 1 2 333.436 1.872 20 30 EDEDLO CC(C)(CNC(=O)NCCOc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000174507382 441932332 /nfs/dbraw/zinc/93/23/32/441932332.db2.gz CCEGHXRWWROWPH-UHFFFAOYSA-N 1 2 346.431 1.347 20 30 EDEDLO N#CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000151120202 442008828 /nfs/dbraw/zinc/00/88/28/442008828.db2.gz UVKYOEQTXAKTQC-UHFFFAOYSA-N 1 2 342.447 1.283 20 30 EDEDLO N#CC[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000151120202 442008833 /nfs/dbraw/zinc/00/88/33/442008833.db2.gz UVKYOEQTXAKTQC-UHFFFAOYSA-N 1 2 342.447 1.283 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(F)ccc2OC(F)F)CC1 ZINC000128267392 442256024 /nfs/dbraw/zinc/25/60/24/442256024.db2.gz RUHCEGPKSLRGIP-UHFFFAOYSA-N 1 2 341.333 1.616 20 30 EDEDLO C[C@]([NH2+]CC(=O)Nc1sccc1C#N)(C(N)=O)c1ccccc1 ZINC000170645136 442240828 /nfs/dbraw/zinc/24/08/28/442240828.db2.gz DFSHEEOJDBIASK-MRXNPFEDSA-N 1 2 328.397 1.549 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000171348134 442342557 /nfs/dbraw/zinc/34/25/57/442342557.db2.gz XLAMEUHSAYKVDF-QGZVFWFLSA-N 1 2 329.444 1.974 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000171348134 442342561 /nfs/dbraw/zinc/34/25/61/442342561.db2.gz XLAMEUHSAYKVDF-QGZVFWFLSA-N 1 2 329.444 1.974 20 30 EDEDLO C[C@H](C#N)CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000171784688 442381249 /nfs/dbraw/zinc/38/12/49/442381249.db2.gz NDPMZIJEHASNQA-CYBMUJFWSA-N 1 2 325.372 1.801 20 30 EDEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc([S@](C)=O)cc1 ZINC000178431411 442433087 /nfs/dbraw/zinc/43/30/87/442433087.db2.gz BDRXGPDZYDXOPO-HXOBKFHXSA-N 1 2 333.457 1.664 20 30 EDEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc([S@](C)=O)cc1 ZINC000178431411 442433089 /nfs/dbraw/zinc/43/30/89/442433089.db2.gz BDRXGPDZYDXOPO-HXOBKFHXSA-N 1 2 333.457 1.664 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000133723130 442431448 /nfs/dbraw/zinc/43/14/48/442431448.db2.gz PEGRWEVXCOHIPT-HNNXBMFYSA-N 1 2 330.432 1.670 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](OCCO)C2)c(C#N)c1C ZINC000172294250 442437133 /nfs/dbraw/zinc/43/71/33/442437133.db2.gz GKFRHRDHLFGCJE-OCCSQVGLSA-N 1 2 335.404 1.568 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](OCCO)C2)c(C#N)c1C ZINC000172294250 442437135 /nfs/dbraw/zinc/43/71/35/442437135.db2.gz GKFRHRDHLFGCJE-OCCSQVGLSA-N 1 2 335.404 1.568 20 30 EDEDLO CCOC(=O)N1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000179747095 442496706 /nfs/dbraw/zinc/49/67/06/442496706.db2.gz NKZMOCMHYDWOJS-UHFFFAOYSA-N 1 2 327.388 1.870 20 30 EDEDLO CCOC(=O)N1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000179747095 442496710 /nfs/dbraw/zinc/49/67/10/442496710.db2.gz NKZMOCMHYDWOJS-UHFFFAOYSA-N 1 2 327.388 1.870 20 30 EDEDLO N#CC1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCC1 ZINC000134593215 442498353 /nfs/dbraw/zinc/49/83/53/442498353.db2.gz SLJGJPFSZSWBAD-UHFFFAOYSA-N 1 2 330.407 1.758 20 30 EDEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000134317257 442468694 /nfs/dbraw/zinc/46/86/94/442468694.db2.gz XHLFTFUBZMNSIX-CQSZACIVSA-N 1 2 325.409 1.599 20 30 EDEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000134317257 442468699 /nfs/dbraw/zinc/46/86/99/442468699.db2.gz XHLFTFUBZMNSIX-CQSZACIVSA-N 1 2 325.409 1.599 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178752678 442474932 /nfs/dbraw/zinc/47/49/32/442474932.db2.gz GQAOLJBVUTXRRJ-OAHLLOKOSA-N 1 2 349.394 1.595 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000180079623 442537546 /nfs/dbraw/zinc/53/75/46/442537546.db2.gz VWXNFQLSHMRLNB-ZIAGYGMSSA-N 1 2 332.404 1.820 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(-c3ncco3)ccc2C)CC1 ZINC000134937374 442538950 /nfs/dbraw/zinc/53/89/50/442538950.db2.gz JHVZBLDULUXYBD-UHFFFAOYSA-N 1 2 338.411 1.839 20 30 EDEDLO O=C(C[NH+]1CCN(CC#Cc2ccccc2Cl)CC1)N1CCCC1 ZINC000134954568 442541517 /nfs/dbraw/zinc/54/15/17/442541517.db2.gz MDCWPJAOTDVMBC-UHFFFAOYSA-N 1 2 345.874 1.932 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)CC#Cc2ccccc2)CC1 ZINC000191983217 442554194 /nfs/dbraw/zinc/55/41/94/442554194.db2.gz KQGQFRPSTDWYIA-UHFFFAOYSA-N 1 2 342.439 1.772 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CC#Cc2ccccc2)CC1 ZINC000191983217 442554198 /nfs/dbraw/zinc/55/41/98/442554198.db2.gz KQGQFRPSTDWYIA-UHFFFAOYSA-N 1 2 342.439 1.772 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCSCC2)c1 ZINC000179138918 442581470 /nfs/dbraw/zinc/58/14/70/442581470.db2.gz OFDXZUHJCZFERJ-AWEZNQCLSA-N 1 2 345.468 1.502 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000135412392 442592524 /nfs/dbraw/zinc/59/25/24/442592524.db2.gz BFNCNXBROJVUMY-UHFFFAOYSA-N 1 2 347.444 1.438 20 30 EDEDLO CCN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H](C)C#N ZINC000157620162 442597584 /nfs/dbraw/zinc/59/75/84/442597584.db2.gz LXGMIOZBMZMJRS-OAHLLOKOSA-N 1 2 334.489 1.874 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)Nc2sccc2S(C)(=O)=O)CC1 ZINC000135515596 442606146 /nfs/dbraw/zinc/60/61/46/442606146.db2.gz DGQKGSYWBTUMFI-UHFFFAOYSA-N 1 2 326.443 1.435 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157213188 442561875 /nfs/dbraw/zinc/56/18/75/442561875.db2.gz JZKZUTIRIXUQJF-UONOGXRCSA-N 1 2 338.452 1.594 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157213188 442561881 /nfs/dbraw/zinc/56/18/81/442561881.db2.gz JZKZUTIRIXUQJF-UONOGXRCSA-N 1 2 338.452 1.594 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000157996877 442636054 /nfs/dbraw/zinc/63/60/54/442636054.db2.gz OCFJKDKPZYCPGH-UHFFFAOYSA-N 1 2 344.390 1.136 20 30 EDEDLO CCOC(=O)C[C@@H](C)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000182635860 442799268 /nfs/dbraw/zinc/79/92/68/442799268.db2.gz ICNLZRHIXLALNB-CYBMUJFWSA-N 1 2 338.429 1.605 20 30 EDEDLO CCOC(=O)C[C@@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000182635860 442799270 /nfs/dbraw/zinc/79/92/70/442799270.db2.gz ICNLZRHIXLALNB-CYBMUJFWSA-N 1 2 338.429 1.605 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1O ZINC000188584590 442765936 /nfs/dbraw/zinc/76/59/36/442765936.db2.gz PMKBEZLJSUCKGY-INIZCTEOSA-N 1 2 329.400 1.591 20 30 EDEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@@H](O)CCc1ccccc1 ZINC000182436566 442767205 /nfs/dbraw/zinc/76/72/05/442767205.db2.gz YOVMKBRKDZGESZ-IBGZPJMESA-N 1 2 331.460 1.528 20 30 EDEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@@H](O)CCc1ccccc1 ZINC000182436566 442767208 /nfs/dbraw/zinc/76/72/08/442767208.db2.gz YOVMKBRKDZGESZ-IBGZPJMESA-N 1 2 331.460 1.528 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)CCc1ccccc1 ZINC000182436566 442767210 /nfs/dbraw/zinc/76/72/10/442767210.db2.gz YOVMKBRKDZGESZ-IBGZPJMESA-N 1 2 331.460 1.528 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cnc4ccc(C#N)cn34)[C@H]2C1 ZINC000247052087 442832339 /nfs/dbraw/zinc/83/23/39/442832339.db2.gz VBBHQNXSRWYEDZ-IXDOHACOSA-N 1 2 326.400 1.974 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cnc4ccc(C#N)cn34)[C@H]2C1 ZINC000247052087 442832342 /nfs/dbraw/zinc/83/23/42/442832342.db2.gz VBBHQNXSRWYEDZ-IXDOHACOSA-N 1 2 326.400 1.974 20 30 EDEDLO COCC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000268046202 442828837 /nfs/dbraw/zinc/82/88/37/442828837.db2.gz XCNZTKTYWVUQRM-AWEZNQCLSA-N 1 2 337.445 1.290 20 30 EDEDLO NC(C[NH+]1CCN(c2ccccc2)CC1)=NOCC[C@H]1CCCO1 ZINC000189249077 442905296 /nfs/dbraw/zinc/90/52/96/442905296.db2.gz POKACLNMLIKHJV-QGZVFWFLSA-N 1 2 332.448 1.667 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249013868 442945605 /nfs/dbraw/zinc/94/56/05/442945605.db2.gz PDRRQLGDVQCOMV-KXWSQRDISA-N 1 2 349.475 1.797 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249013868 442945609 /nfs/dbraw/zinc/94/56/09/442945609.db2.gz PDRRQLGDVQCOMV-KXWSQRDISA-N 1 2 349.475 1.797 20 30 EDEDLO Cc1noc2ncc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc12 ZINC000195147833 442989494 /nfs/dbraw/zinc/98/94/94/442989494.db2.gz IYQKMFODHOGEIY-UHFFFAOYSA-N 1 2 343.387 1.219 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000268490478 443007413 /nfs/dbraw/zinc/00/74/13/443007413.db2.gz ODDKZAGFKJOKEW-IBGZPJMESA-N 1 2 335.407 1.766 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000268490478 443007417 /nfs/dbraw/zinc/00/74/17/443007417.db2.gz ODDKZAGFKJOKEW-IBGZPJMESA-N 1 2 335.407 1.766 20 30 EDEDLO N#Cc1ccnc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000268521892 443020142 /nfs/dbraw/zinc/02/01/42/443020142.db2.gz VGARVKSFNREDIV-UHFFFAOYSA-N 1 2 343.347 1.134 20 30 EDEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000190054946 443051933 /nfs/dbraw/zinc/05/19/33/443051933.db2.gz JBDYFWLTLYALLN-GFCCVEGCSA-N 1 2 333.363 1.407 20 30 EDEDLO Cc1cc(N2CC[C@@H](O[NH+]=C(N)[C@H](C)OCC(C)C)C2=O)n(C)n1 ZINC000266191775 443052032 /nfs/dbraw/zinc/05/20/32/443052032.db2.gz IQNVTGUEOQOYEA-QWHCGFSZSA-N 1 2 337.424 1.184 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185090483 443134848 /nfs/dbraw/zinc/13/48/48/443134848.db2.gz UVHIZMSPDRHLRE-SNVBAGLBSA-N 1 2 347.350 1.538 20 30 EDEDLO CC#CCCCC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000185142332 443146816 /nfs/dbraw/zinc/14/68/16/443146816.db2.gz RBMMJIOIHDRLBO-UHFFFAOYSA-N 1 2 327.428 1.623 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)Nc2cccc(OCC#N)c2)CCO1 ZINC000263672902 443235169 /nfs/dbraw/zinc/23/51/69/443235169.db2.gz CHPSEXLGOYMZPD-UHFFFAOYSA-N 1 2 332.404 1.821 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2cccc(OCC#N)c2)CCO1 ZINC000263672902 443235173 /nfs/dbraw/zinc/23/51/73/443235173.db2.gz CHPSEXLGOYMZPD-UHFFFAOYSA-N 1 2 332.404 1.821 20 30 EDEDLO N#CCCCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264032589 443246684 /nfs/dbraw/zinc/24/66/84/443246684.db2.gz CRBVAJDZZGKHGA-KRWDZBQOSA-N 1 2 330.432 1.880 20 30 EDEDLO N#CCCCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264032589 443246688 /nfs/dbraw/zinc/24/66/88/443246688.db2.gz CRBVAJDZZGKHGA-KRWDZBQOSA-N 1 2 330.432 1.880 20 30 EDEDLO Cc1cc(C(N)=[NH+]OCc2nnnn2CC(F)(F)F)ccc1F ZINC000191482156 443300972 /nfs/dbraw/zinc/30/09/72/443300972.db2.gz MOBZTMQXPYFYFZ-UHFFFAOYSA-N 1 2 332.261 1.520 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000264622631 443350457 /nfs/dbraw/zinc/35/04/57/443350457.db2.gz RNPGTVOCNZILLH-GXTWGEPZSA-N 1 2 327.306 1.884 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000264622631 443350461 /nfs/dbraw/zinc/35/04/61/443350461.db2.gz RNPGTVOCNZILLH-GXTWGEPZSA-N 1 2 327.306 1.884 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278880079 443472002 /nfs/dbraw/zinc/47/20/02/443472002.db2.gz NCCPTAINHCBANZ-KRWDZBQOSA-N 1 2 344.440 1.453 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278880079 443472005 /nfs/dbraw/zinc/47/20/05/443472005.db2.gz NCCPTAINHCBANZ-KRWDZBQOSA-N 1 2 344.440 1.453 20 30 EDEDLO N#CCCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000273303198 443566415 /nfs/dbraw/zinc/56/64/15/443566415.db2.gz UQCNRVHZYOWJTE-KRWDZBQOSA-N 1 2 330.432 1.533 20 30 EDEDLO CCN(C)C(=O)CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000273603959 443582276 /nfs/dbraw/zinc/58/22/76/443582276.db2.gz ZUXURNTYTHSKDW-UHFFFAOYSA-N 1 2 342.399 1.776 20 30 EDEDLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)N(CCC#N)c1ccccc1 ZINC000273940020 443587796 /nfs/dbraw/zinc/58/77/96/443587796.db2.gz DHNBETCGDZYLJH-KBPBESRZSA-N 1 2 326.404 1.801 20 30 EDEDLO CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000279252713 443542011 /nfs/dbraw/zinc/54/20/11/443542011.db2.gz LIUHNZIXHDBOOW-UHFFFAOYSA-N 1 2 325.438 1.046 20 30 EDEDLO C=C(C)CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000275315274 443625208 /nfs/dbraw/zinc/62/52/08/443625208.db2.gz NWMMUUYJHXUCMW-AWEZNQCLSA-N 1 2 331.416 1.711 20 30 EDEDLO NC(COc1cccc(F)c1)=[NH+]OCC1CCS(=O)(=O)CC1 ZINC000275461000 443627630 /nfs/dbraw/zinc/62/76/30/443627630.db2.gz KBYUWRDFDAEZHK-UHFFFAOYSA-N 1 2 330.381 1.318 20 30 EDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000279480774 443594679 /nfs/dbraw/zinc/59/46/79/443594679.db2.gz NVRLSXOOHCRUQZ-UHFFFAOYSA-N 1 2 344.415 1.066 20 30 EDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000279480774 443594680 /nfs/dbraw/zinc/59/46/80/443594680.db2.gz NVRLSXOOHCRUQZ-UHFFFAOYSA-N 1 2 344.415 1.066 20 30 EDEDLO C[C@@H](c1cccc(NC(=O)C(=O)N(C)CCC#N)c1)[NH+]1CCOCC1 ZINC000283309026 443597271 /nfs/dbraw/zinc/59/72/71/443597271.db2.gz PLLLLFBHWUEYAJ-AWEZNQCLSA-N 1 2 344.415 1.390 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)C1CC1 ZINC000274248732 443600736 /nfs/dbraw/zinc/60/07/36/443600736.db2.gz ZCBREZJNTQUIHS-UHFFFAOYSA-N 1 2 327.428 1.764 20 30 EDEDLO C#CC[N@H+](CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)C1CC1 ZINC000274248732 443600740 /nfs/dbraw/zinc/60/07/40/443600740.db2.gz ZCBREZJNTQUIHS-UHFFFAOYSA-N 1 2 327.428 1.764 20 30 EDEDLO CN(C)C1(C#N)CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000275108686 443621294 /nfs/dbraw/zinc/62/12/94/443621294.db2.gz XQVSYQUTMQTXEW-HNNXBMFYSA-N 1 2 342.447 1.290 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000283681219 443688917 /nfs/dbraw/zinc/68/89/17/443688917.db2.gz ZFRGEVQXERDVCF-UHFFFAOYSA-N 1 2 333.335 1.513 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000286248455 443676494 /nfs/dbraw/zinc/67/64/94/443676494.db2.gz FXDKHNYAQUHSRF-QGZVFWFLSA-N 1 2 349.438 1.802 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000286248455 443676495 /nfs/dbraw/zinc/67/64/95/443676495.db2.gz FXDKHNYAQUHSRF-QGZVFWFLSA-N 1 2 349.438 1.802 20 30 EDEDLO N#Cc1cc(N2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)ccn1 ZINC000286258425 443678542 /nfs/dbraw/zinc/67/85/42/443678542.db2.gz JFZWGTBZTQZVKG-UHFFFAOYSA-N 1 2 347.422 1.665 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000286344754 443694887 /nfs/dbraw/zinc/69/48/87/443694887.db2.gz BIVXLNHWYBWBIG-SJLPKXTDSA-N 1 2 329.444 1.641 20 30 EDEDLO C=CCSCCNC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276392793 443696806 /nfs/dbraw/zinc/69/68/06/443696806.db2.gz JXJGSBMGHWEXJA-AWEZNQCLSA-N 1 2 335.477 1.612 20 30 EDEDLO C=CCSCCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276392793 443696808 /nfs/dbraw/zinc/69/68/08/443696808.db2.gz JXJGSBMGHWEXJA-AWEZNQCLSA-N 1 2 335.477 1.612 20 30 EDEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000283724476 443699138 /nfs/dbraw/zinc/69/91/38/443699138.db2.gz XULNYCXEHCOWSO-UHFFFAOYSA-N 1 2 346.479 1.378 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)c2ccccc2OCC#N)CCN1C ZINC000276516303 443731606 /nfs/dbraw/zinc/73/16/06/443731606.db2.gz CTFUHXGEKYHJIW-OAHLLOKOSA-N 1 2 339.399 1.451 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284819920 443789999 /nfs/dbraw/zinc/78/99/99/443789999.db2.gz PSBOVHKSMNTHNV-ZACQAIPSSA-N 1 2 329.400 1.177 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284819920 443790003 /nfs/dbraw/zinc/79/00/03/443790003.db2.gz PSBOVHKSMNTHNV-ZACQAIPSSA-N 1 2 329.400 1.177 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)C2CC[NH+](CC(F)F)CC2)n1 ZINC000287946728 443760817 /nfs/dbraw/zinc/76/08/17/443760817.db2.gz GGGZORJZUQHIGO-UHFFFAOYSA-N 1 2 338.402 1.842 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3cnn(C(C)(C)C)c3)CC2)C1=O ZINC000281153648 443832932 /nfs/dbraw/zinc/83/29/32/443832932.db2.gz BMTGWUQXJBTKNX-KRWDZBQOSA-N 1 2 345.491 1.543 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N(C)Cc2ccccc2)C1=O ZINC000281189824 443843345 /nfs/dbraw/zinc/84/33/45/443843345.db2.gz BQTGLSFKLADUPP-NVXWUHKLSA-N 1 2 329.444 1.752 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N(C)Cc2ccccc2)C1=O ZINC000281189824 443843348 /nfs/dbraw/zinc/84/33/48/443843348.db2.gz BQTGLSFKLADUPP-NVXWUHKLSA-N 1 2 329.444 1.752 20 30 EDEDLO C=CCN(CCC#N)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000292583150 443801642 /nfs/dbraw/zinc/80/16/42/443801642.db2.gz CNYBYFCZKLGDII-UHFFFAOYSA-N 1 2 332.408 1.149 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC(C)=C(Br)C1 ZINC000281080754 443812627 /nfs/dbraw/zinc/81/26/27/443812627.db2.gz LJDQCQSIYJORRS-SNVBAGLBSA-N 1 2 330.226 1.761 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC(C)=C(Br)C1 ZINC000281080754 443812631 /nfs/dbraw/zinc/81/26/31/443812631.db2.gz LJDQCQSIYJORRS-SNVBAGLBSA-N 1 2 330.226 1.761 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CCc3ccccc3C2)C1=O ZINC000281330116 443882329 /nfs/dbraw/zinc/88/23/29/443882329.db2.gz LTKSGQXEDLNSRZ-KRWDZBQOSA-N 1 2 327.428 1.290 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CCc3ccccc3C2)C1=O ZINC000281330116 443882333 /nfs/dbraw/zinc/88/23/33/443882333.db2.gz LTKSGQXEDLNSRZ-KRWDZBQOSA-N 1 2 327.428 1.290 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1 ZINC000298864795 443888267 /nfs/dbraw/zinc/88/82/67/443888267.db2.gz IOVRUVUVGTWTSF-UHFFFAOYSA-N 1 2 339.355 1.753 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000292847591 443859292 /nfs/dbraw/zinc/85/92/92/443859292.db2.gz WCGAUDHVBVMOBX-ZFWWWQNUSA-N 1 2 347.444 1.910 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)C1=O ZINC000292877480 443867583 /nfs/dbraw/zinc/86/75/83/443867583.db2.gz DSGIZQOQCHLVQT-IRXDYDNUSA-N 1 2 327.428 1.207 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)C1=O ZINC000292877480 443867586 /nfs/dbraw/zinc/86/75/86/443867586.db2.gz DSGIZQOQCHLVQT-IRXDYDNUSA-N 1 2 327.428 1.207 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)C1=O ZINC000281303592 443873976 /nfs/dbraw/zinc/87/39/76/443873976.db2.gz JZURYBRSDNWGAK-CZUORRHYSA-N 1 2 326.400 1.604 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)C1=O ZINC000281303592 443873982 /nfs/dbraw/zinc/87/39/82/443873982.db2.gz JZURYBRSDNWGAK-CZUORRHYSA-N 1 2 326.400 1.604 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCCc2ccc(F)cc2)C1=O ZINC000281407920 443903334 /nfs/dbraw/zinc/90/33/34/443903334.db2.gz QYLIHEZZIOLBHS-PBHICJAKSA-N 1 2 347.434 1.592 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCCc2ccc(F)cc2)C1=O ZINC000281407920 443903337 /nfs/dbraw/zinc/90/33/37/443903337.db2.gz QYLIHEZZIOLBHS-PBHICJAKSA-N 1 2 347.434 1.592 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298927179 443904608 /nfs/dbraw/zinc/90/46/08/443904608.db2.gz NRMBWCGLZFBFTI-IUODEOHRSA-N 1 2 328.372 1.370 20 30 EDEDLO COC(=O)c1cccc(Cl)c1CO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000285246007 443910985 /nfs/dbraw/zinc/91/09/85/443910985.db2.gz RMTAENJVEIDNEQ-UHFFFAOYSA-N 1 2 341.795 1.830 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000281694072 443981789 /nfs/dbraw/zinc/98/17/89/443981789.db2.gz BVHIOWHPGBZNMW-RDJZCZTQSA-N 1 2 330.432 1.894 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1cnc(C#N)cn1 ZINC000281611928 443958674 /nfs/dbraw/zinc/95/86/74/443958674.db2.gz ZFZAVRWBFFOHPH-JSGCOSHPSA-N 1 2 329.383 1.131 20 30 EDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000299410357 444039215 /nfs/dbraw/zinc/03/92/15/444039215.db2.gz VXXBZQHVMFVIGT-OAHLLOKOSA-N 1 2 328.412 1.619 20 30 EDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000299293351 444009061 /nfs/dbraw/zinc/00/90/61/444009061.db2.gz OBSKIIIWPZHJIT-OAHLLOKOSA-N 1 2 328.412 1.319 20 30 EDEDLO CCOC(=O)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CC(C)C ZINC000299357505 444026339 /nfs/dbraw/zinc/02/63/39/444026339.db2.gz TUSRCJSLPNYBSK-UHFFFAOYSA-N 1 2 331.416 1.696 20 30 EDEDLO CCOC(=O)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC(C)C ZINC000299357505 444026342 /nfs/dbraw/zinc/02/63/42/444026342.db2.gz TUSRCJSLPNYBSK-UHFFFAOYSA-N 1 2 331.416 1.696 20 30 EDEDLO N#CCCOCC[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000293487341 444032580 /nfs/dbraw/zinc/03/25/80/444032580.db2.gz MUDKSJDWTHYLMP-UHFFFAOYSA-N 1 2 337.445 1.064 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)C1=O ZINC000281994633 444057720 /nfs/dbraw/zinc/05/77/20/444057720.db2.gz NCOWYQUURQEFST-DLBZAZTESA-N 1 2 327.428 1.901 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)C1=O ZINC000281994633 444057725 /nfs/dbraw/zinc/05/77/25/444057725.db2.gz NCOWYQUURQEFST-DLBZAZTESA-N 1 2 327.428 1.901 20 30 EDEDLO COCC[NH+](CCOC)CC(=O)Nc1ccccc1SCC#N ZINC000299491603 444060648 /nfs/dbraw/zinc/06/06/48/444060648.db2.gz GYQKBKNFICCYGY-UHFFFAOYSA-N 1 2 337.445 1.836 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000568465621 321292253 /nfs/dbraw/zinc/29/22/53/321292253.db2.gz OPWQLNDUHJZHRJ-GMXABZIVSA-N 1 2 337.807 1.214 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000568465621 321292254 /nfs/dbraw/zinc/29/22/54/321292254.db2.gz OPWQLNDUHJZHRJ-GMXABZIVSA-N 1 2 337.807 1.214 20 30 EDEDLO N#Cc1ccc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000301086591 444143763 /nfs/dbraw/zinc/14/37/63/444143763.db2.gz GNXVFYFHYJBNRN-UHFFFAOYSA-N 1 2 336.399 1.499 20 30 EDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H]1CCCC[C@@H]1O ZINC000289820168 444207616 /nfs/dbraw/zinc/20/76/16/444207616.db2.gz JIBDXGYVOJIYMY-CABCVRRESA-N 1 2 337.445 1.210 20 30 EDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H]1CCCC[C@@H]1O ZINC000289820168 444207618 /nfs/dbraw/zinc/20/76/18/444207618.db2.gz JIBDXGYVOJIYMY-CABCVRRESA-N 1 2 337.445 1.210 20 30 EDEDLO CC(C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nccs1 ZINC000289882761 444215370 /nfs/dbraw/zinc/21/53/70/444215370.db2.gz MEZILZDMWVBNLF-UHFFFAOYSA-N 1 2 336.442 1.708 20 30 EDEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000296307741 444219537 /nfs/dbraw/zinc/21/95/37/444219537.db2.gz NYOZQYOAPUJWIP-UHFFFAOYSA-N 1 2 336.392 1.746 20 30 EDEDLO CC[C@]1(CO)CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289931063 444220815 /nfs/dbraw/zinc/22/08/15/444220815.db2.gz OHGFPQIXUBGIOJ-INIZCTEOSA-N 1 2 337.445 1.211 20 30 EDEDLO CC[C@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289931063 444220819 /nfs/dbraw/zinc/22/08/19/444220819.db2.gz OHGFPQIXUBGIOJ-INIZCTEOSA-N 1 2 337.445 1.211 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@@H](O)C2)c1C ZINC000295729845 444192153 /nfs/dbraw/zinc/19/21/53/444192153.db2.gz VVVPKWADEAMWNZ-INIZCTEOSA-N 1 2 331.416 1.243 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@@H](O)C2)c1C ZINC000295729845 444192155 /nfs/dbraw/zinc/19/21/55/444192155.db2.gz VVVPKWADEAMWNZ-INIZCTEOSA-N 1 2 331.416 1.243 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1C#N ZINC000296023283 444199871 /nfs/dbraw/zinc/19/98/71/444199871.db2.gz NMCZTPPGLHGRKT-UHFFFAOYSA-N 1 2 326.360 1.522 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](CCO)Cc2ccccc2)c1 ZINC000305273903 444268149 /nfs/dbraw/zinc/26/81/49/444268149.db2.gz UXZFDBNFJWCNIX-UHFFFAOYSA-N 1 2 344.436 1.826 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](CCO)Cc2ccccc2)c1 ZINC000305273903 444268150 /nfs/dbraw/zinc/26/81/50/444268150.db2.gz UXZFDBNFJWCNIX-UHFFFAOYSA-N 1 2 344.436 1.826 20 30 EDEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)Cc1cccc(C#N)c1 ZINC000303032658 444232550 /nfs/dbraw/zinc/23/25/50/444232550.db2.gz XRBQAZNJFZTJQL-KRWDZBQOSA-N 1 2 340.427 1.270 20 30 EDEDLO C=CC[N@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)Cc1cccc(C#N)c1 ZINC000303032658 444232552 /nfs/dbraw/zinc/23/25/52/444232552.db2.gz XRBQAZNJFZTJQL-KRWDZBQOSA-N 1 2 340.427 1.270 20 30 EDEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000316720916 444312038 /nfs/dbraw/zinc/31/20/38/444312038.db2.gz UANNCQZVOIOUBX-LBPRGKRZSA-N 1 2 325.409 1.802 20 30 EDEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4ncccc4C#N)CC3)cnc12 ZINC000577730969 321677451 /nfs/dbraw/zinc/67/74/51/321677451.db2.gz NEMBWOCSXVVFAC-UHFFFAOYSA-N 1 2 344.382 1.190 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000290428998 444279697 /nfs/dbraw/zinc/27/96/97/444279697.db2.gz RBTHDRAWUFAJRA-PBHICJAKSA-N 1 2 338.473 1.907 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1C ZINC000321788363 444337504 /nfs/dbraw/zinc/33/75/04/444337504.db2.gz TVIUERKGUZAWBX-NOZJJQNGSA-N 1 2 335.429 1.916 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1C ZINC000321788363 444337505 /nfs/dbraw/zinc/33/75/05/444337505.db2.gz TVIUERKGUZAWBX-NOZJJQNGSA-N 1 2 335.429 1.916 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H](S(C)(=O)=O)C1)CCC2 ZINC000328855618 444375448 /nfs/dbraw/zinc/37/54/48/444375448.db2.gz XRKLBNCGPOWUIZ-STQMWFEESA-N 1 2 340.449 1.102 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000330980849 444345470 /nfs/dbraw/zinc/34/54/70/444345470.db2.gz MYHXYFAXYVVJQL-ZDUSSCGKSA-N 1 2 336.440 1.747 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCN(c2ccnn2C)C1=O ZINC000328797974 444355851 /nfs/dbraw/zinc/35/58/51/444355851.db2.gz WHQWROAUKKOHHN-CYBMUJFWSA-N 1 2 330.392 1.238 20 30 EDEDLO Cc1csc(NC(=O)CSCC(=O)N2CC[NH+](C)CC2)n1 ZINC000328841907 444370575 /nfs/dbraw/zinc/37/05/75/444370575.db2.gz PTCUNVPZQDMYHL-UHFFFAOYSA-N 1 2 328.463 1.547 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H](CNC(N)=O)C1)CCC2 ZINC000328640623 444408272 /nfs/dbraw/zinc/40/82/72/444408272.db2.gz CRSUHAIMUYHKDX-KBPBESRZSA-N 1 2 348.451 1.777 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)CCN2C(=O)CSc3ccccc32)C1 ZINC000328669211 444422694 /nfs/dbraw/zinc/42/26/94/444422694.db2.gz FATQHLNTTCFYRQ-CYBMUJFWSA-N 1 2 349.456 1.803 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)CCN2C(=O)CSc3ccccc32)C1 ZINC000328669211 444422699 /nfs/dbraw/zinc/42/26/99/444422699.db2.gz FATQHLNTTCFYRQ-CYBMUJFWSA-N 1 2 349.456 1.803 20 30 EDEDLO CC[C@H](C)n1ncc(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)c1C ZINC000331065649 444380378 /nfs/dbraw/zinc/38/03/78/444380378.db2.gz FMHIIXIRYUCRQP-ZDUSSCGKSA-N 1 2 335.452 1.631 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328686755 444429273 /nfs/dbraw/zinc/42/92/73/444429273.db2.gz GLVUHIKQDAXNSP-KGLIPLIRSA-N 1 2 338.452 1.595 20 30 EDEDLO Cc1n[nH]c(=O)c(C(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1C ZINC000328730772 444442810 /nfs/dbraw/zinc/44/28/10/444442810.db2.gz ICNPLKCBJXPDGY-GFCCVEGCSA-N 1 2 347.419 1.064 20 30 EDEDLO CC(C)c1nnc2ccc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)cn21 ZINC000328732301 444443506 /nfs/dbraw/zinc/44/35/06/444443506.db2.gz HCJOHNOVYMKDPJ-KGLIPLIRSA-N 1 2 344.419 1.413 20 30 EDEDLO CC(C)c1nnc2ccc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)cn21 ZINC000328732301 444443510 /nfs/dbraw/zinc/44/35/10/444443510.db2.gz HCJOHNOVYMKDPJ-KGLIPLIRSA-N 1 2 344.419 1.413 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2nnc(C3CC3)[nH]2)c1 ZINC000580640733 322077125 /nfs/dbraw/zinc/07/71/25/322077125.db2.gz BFDVDPOOSSPZQL-UHFFFAOYSA-N 1 2 331.401 1.117 20 30 EDEDLO Cc1cc(C)c(C(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c(=O)[nH]1 ZINC000329220327 444504558 /nfs/dbraw/zinc/50/45/58/444504558.db2.gz SZHWQBUQUCFYGE-CYBMUJFWSA-N 1 2 346.431 1.669 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000329233524 444508252 /nfs/dbraw/zinc/50/82/52/444508252.db2.gz MAAJZLFDNFKOQB-HMDCTGQHSA-N 1 2 337.464 1.653 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000332735677 444534930 /nfs/dbraw/zinc/53/49/30/444534930.db2.gz VZPDVEXTSCAGHD-GOSISDBHSA-N 1 2 346.431 1.433 20 30 EDEDLO Cc1nc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)sc1C ZINC000329254278 444513770 /nfs/dbraw/zinc/51/37/70/444513770.db2.gz ZSYUXHALLDTJHD-BXUZGUMPSA-N 1 2 338.477 1.969 20 30 EDEDLO CC(C)C[C@@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343689219 444521196 /nfs/dbraw/zinc/52/11/96/444521196.db2.gz LULZJOIPFHIJIK-AWEZNQCLSA-N 1 2 325.434 1.066 20 30 EDEDLO CC(C)C[C@@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343689219 444521201 /nfs/dbraw/zinc/52/12/01/444521201.db2.gz LULZJOIPFHIJIK-AWEZNQCLSA-N 1 2 325.434 1.066 20 30 EDEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@@H]1CCCOCC1 ZINC000329296728 444525903 /nfs/dbraw/zinc/52/59/03/444525903.db2.gz SWOAMZJIQMJNTA-OAHLLOKOSA-N 1 2 334.420 1.491 20 30 EDEDLO C[N@@H+]1CCc2ncnc(Nc3cnn(CC(=O)NC4CC4)c3)c2C1 ZINC000329314529 444532199 /nfs/dbraw/zinc/53/21/99/444532199.db2.gz HAJGZERYOLLSDZ-UHFFFAOYSA-N 1 2 327.392 1.524 20 30 EDEDLO C[N@H+]1CCc2ncnc(Nc3cnn(CC(=O)NC4CC4)c3)c2C1 ZINC000329314529 444532200 /nfs/dbraw/zinc/53/22/00/444532200.db2.gz HAJGZERYOLLSDZ-UHFFFAOYSA-N 1 2 327.392 1.524 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC(C(C)(C)O)C1)C1CCOCC1 ZINC000329320523 444534215 /nfs/dbraw/zinc/53/42/15/444534215.db2.gz IYHCPUCVUYIXHA-AWEZNQCLSA-N 1 2 336.436 1.505 20 30 EDEDLO Cn1ccnc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)c1=O ZINC000340889156 444560461 /nfs/dbraw/zinc/56/04/61/444560461.db2.gz GNPIIGCPTNIENK-UHFFFAOYSA-N 1 2 327.363 1.113 20 30 EDEDLO CN1C(=O)c2ccc(NC(=O)C[N@@H+]3CCOCC4(CC4)C3)cc2C1=O ZINC000329435294 444577677 /nfs/dbraw/zinc/57/76/77/444577677.db2.gz ISRKVPDUBHCAQM-UHFFFAOYSA-N 1 2 343.383 1.613 20 30 EDEDLO CN1C(=O)c2ccc(NC(=O)C[N@H+]3CCOCC4(CC4)C3)cc2C1=O ZINC000329435294 444577679 /nfs/dbraw/zinc/57/76/79/444577679.db2.gz ISRKVPDUBHCAQM-UHFFFAOYSA-N 1 2 343.383 1.613 20 30 EDEDLO O=C(NCc1cccc(-n2cncn2)c1)C1([NH+]2CCOCC2)CCC1 ZINC000329436371 444578524 /nfs/dbraw/zinc/57/85/24/444578524.db2.gz JBBXFFZLNXCLRP-UHFFFAOYSA-N 1 2 341.415 1.979 20 30 EDEDLO C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CCCO1 ZINC000329334221 444539533 /nfs/dbraw/zinc/53/95/33/444539533.db2.gz KQEVYUWWPUNECJ-UKRRQHHQSA-N 1 2 336.436 1.913 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1C#N ZINC000329483851 444598081 /nfs/dbraw/zinc/59/80/81/444598081.db2.gz SCBJJZFKQWGTCM-KOLCDFICSA-N 1 2 332.429 1.736 20 30 EDEDLO Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]=C([O-])N1CCn2cc[nH+]c2C1 ZINC000329635913 444658425 /nfs/dbraw/zinc/65/84/25/444658425.db2.gz UUQRUEOOSVZANR-SWLSCSKDSA-N 1 2 330.392 1.124 20 30 EDEDLO C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCO1 ZINC000329645181 444662593 /nfs/dbraw/zinc/66/25/93/444662593.db2.gz JHWDQKVGQKHAPI-BZUAXINKSA-N 1 2 325.453 1.512 20 30 EDEDLO N#Cc1c(F)cccc1N1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342409244 444679704 /nfs/dbraw/zinc/67/97/04/444679704.db2.gz DCDCHODVNLAEIR-IYBDPMFKSA-N 1 2 344.434 1.683 20 30 EDEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCCS(=O)(=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000329771313 444711309 /nfs/dbraw/zinc/71/13/09/444711309.db2.gz GTEOSFDISACVJN-MGPQQGTHSA-N 1 2 340.449 1.257 20 30 EDEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000329771313 444711315 /nfs/dbraw/zinc/71/13/15/444711315.db2.gz GTEOSFDISACVJN-MGPQQGTHSA-N 1 2 340.449 1.257 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H](CCO)C2)nc[nH+]1 ZINC000329790289 444717723 /nfs/dbraw/zinc/71/77/23/444717723.db2.gz CRRORRZXEBDNAP-ZIAGYGMSSA-N 1 2 348.451 1.105 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@H](CCO)C2)[nH+]cn1 ZINC000329790289 444717727 /nfs/dbraw/zinc/71/77/27/444717727.db2.gz CRRORRZXEBDNAP-ZIAGYGMSSA-N 1 2 348.451 1.105 20 30 EDEDLO C[C@@H]1C[C@@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC(=O)N1 ZINC000329697764 444684423 /nfs/dbraw/zinc/68/44/23/444684423.db2.gz YOCBMLVMILSUGK-CHWSQXEVSA-N 1 2 335.408 1.558 20 30 EDEDLO C[C@H](CNC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000329709910 444687971 /nfs/dbraw/zinc/68/79/71/444687971.db2.gz LVXGWGYNQKLHCB-ILXRZTDVSA-N 1 2 325.453 1.511 20 30 EDEDLO Cc1ccc2[nH+]c(CNC(=O)N3CCOC4(CCOCC4)C3)cn2c1 ZINC000329728182 444694281 /nfs/dbraw/zinc/69/42/81/444694281.db2.gz HEIAIYNDTFEQRE-UHFFFAOYSA-N 1 2 344.415 1.938 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3cccc4cccnc43)C[C@H]21 ZINC000329898976 444759413 /nfs/dbraw/zinc/75/94/13/444759413.db2.gz FDLCGPNLWXFNDA-HZPDHXFCSA-N 1 2 326.400 1.664 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3cccc4cccnc43)C[C@H]21 ZINC000329898976 444759417 /nfs/dbraw/zinc/75/94/17/444759417.db2.gz FDLCGPNLWXFNDA-HZPDHXFCSA-N 1 2 326.400 1.664 20 30 EDEDLO N#Cc1cccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1F ZINC000334051960 444762509 /nfs/dbraw/zinc/76/25/09/444762509.db2.gz SLIYMFSOYXCRRU-UHFFFAOYSA-N 1 2 337.420 1.697 20 30 EDEDLO C[C@@H]1C[C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000329914279 444765308 /nfs/dbraw/zinc/76/53/08/444765308.db2.gz CINKWKZJQJRULD-CABCVRRESA-N 1 2 346.431 1.502 20 30 EDEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000341303389 444769444 /nfs/dbraw/zinc/76/94/44/444769444.db2.gz HLBACNUZYDWCKQ-QGZVFWFLSA-N 1 2 346.431 1.047 20 30 EDEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000341303389 444769447 /nfs/dbraw/zinc/76/94/47/444769447.db2.gz HLBACNUZYDWCKQ-QGZVFWFLSA-N 1 2 346.431 1.047 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000329925741 444772342 /nfs/dbraw/zinc/77/23/42/444772342.db2.gz VREYABUUICWMCT-ZQIUZPCESA-N 1 2 336.436 1.893 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000329925741 444772345 /nfs/dbraw/zinc/77/23/45/444772345.db2.gz VREYABUUICWMCT-ZQIUZPCESA-N 1 2 336.436 1.893 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)Nc1ccc3c(c1)OCO3)CCO2 ZINC000329931862 444774625 /nfs/dbraw/zinc/77/46/25/444774625.db2.gz IMVOPDOPVSYTMC-YVEFUNNKSA-N 1 2 334.372 1.883 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)Nc1ccc3c(c1)OCO3)CCO2 ZINC000329931862 444774627 /nfs/dbraw/zinc/77/46/27/444774627.db2.gz IMVOPDOPVSYTMC-YVEFUNNKSA-N 1 2 334.372 1.883 20 30 EDEDLO CCN1CCC[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1=O ZINC000329936527 444776588 /nfs/dbraw/zinc/77/65/88/444776588.db2.gz DERUFCZZGJZZMY-AWEZNQCLSA-N 1 2 347.415 1.337 20 30 EDEDLO CCN1CCC[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1=O ZINC000329936527 444776593 /nfs/dbraw/zinc/77/65/93/444776593.db2.gz DERUFCZZGJZZMY-AWEZNQCLSA-N 1 2 347.415 1.337 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)C1 ZINC000329995284 444804597 /nfs/dbraw/zinc/80/45/97/444804597.db2.gz ZXINJPHAVNVQOI-UONOGXRCSA-N 1 2 349.435 1.371 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)C1 ZINC000329995284 444804600 /nfs/dbraw/zinc/80/46/00/444804600.db2.gz ZXINJPHAVNVQOI-UONOGXRCSA-N 1 2 349.435 1.371 20 30 EDEDLO C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C[C@]2(CCCOC2)O1 ZINC000330072132 444834093 /nfs/dbraw/zinc/83/40/93/444834093.db2.gz JKXOHPKNKONDRY-KDOFPFPSSA-N 1 2 348.447 1.832 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000336926655 444856649 /nfs/dbraw/zinc/85/66/49/444856649.db2.gz XLOCAHWEQFLTFE-AWEZNQCLSA-N 1 2 347.444 1.357 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000336928345 444858573 /nfs/dbraw/zinc/85/85/73/444858573.db2.gz YVFGQLBUJMLUIA-UHFFFAOYSA-N 1 2 347.444 1.501 20 30 EDEDLO Cc1nccc(NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)n1 ZINC000330160705 444868015 /nfs/dbraw/zinc/86/80/15/444868015.db2.gz SHFXXDJIQIKZDN-LLVKDONJSA-N 1 2 332.408 1.456 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330163781 444868968 /nfs/dbraw/zinc/86/89/68/444868968.db2.gz VLDLZQOZEBLAQH-WHCBVINPSA-N 1 2 336.436 1.893 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330163781 444868971 /nfs/dbraw/zinc/86/89/71/444868971.db2.gz VLDLZQOZEBLAQH-WHCBVINPSA-N 1 2 336.436 1.893 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000330230203 444897417 /nfs/dbraw/zinc/89/74/17/444897417.db2.gz WJMNCOLDVDKLJX-IIAWOOMASA-N 1 2 343.493 1.265 20 30 EDEDLO O=C(C[N@@H+]1CCN2C(=O)NC[C@H]2C1)NCCc1c(F)cccc1F ZINC000330240453 444902838 /nfs/dbraw/zinc/90/28/38/444902838.db2.gz BLYWXPSKERVHPE-NSHDSACASA-N 1 2 338.358 1.378 20 30 EDEDLO O=C(C[N@H+]1CCN2C(=O)NC[C@H]2C1)NCCc1c(F)cccc1F ZINC000330240453 444902841 /nfs/dbraw/zinc/90/28/41/444902841.db2.gz BLYWXPSKERVHPE-NSHDSACASA-N 1 2 338.358 1.378 20 30 EDEDLO Cc1cc(CNC(=O)N2CCn3cc[nH+]c3C2)nc(N2CCCC2)n1 ZINC000330260274 444911405 /nfs/dbraw/zinc/91/14/05/444911405.db2.gz ODNGLMISPDMADD-UHFFFAOYSA-N 1 2 341.419 1.512 20 30 EDEDLO Cc1c([C@H]2OCC[C@@H]2NC(=O)[C@H](C)[NH+]2CCSCC2)cnn1C ZINC000330277234 444918537 /nfs/dbraw/zinc/91/85/37/444918537.db2.gz NYSMVMAOTSXOHX-AEGPPILISA-N 1 2 338.477 1.952 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000337057984 444921282 /nfs/dbraw/zinc/92/12/82/444921282.db2.gz VVKBOEJJYMPKGD-KRWDZBQOSA-N 1 2 330.428 1.461 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000337057984 444921286 /nfs/dbraw/zinc/92/12/86/444921286.db2.gz VVKBOEJJYMPKGD-KRWDZBQOSA-N 1 2 330.428 1.461 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330297852 444928014 /nfs/dbraw/zinc/92/80/14/444928014.db2.gz LEFZOEWPDYPQLR-NCOADZHNSA-N 1 2 339.480 1.553 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330297852 444928020 /nfs/dbraw/zinc/92/80/20/444928020.db2.gz LEFZOEWPDYPQLR-NCOADZHNSA-N 1 2 339.480 1.553 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330297852 444928023 /nfs/dbraw/zinc/92/80/23/444928023.db2.gz LEFZOEWPDYPQLR-NCOADZHNSA-N 1 2 339.480 1.553 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330297852 444928029 /nfs/dbraw/zinc/92/80/29/444928029.db2.gz LEFZOEWPDYPQLR-NCOADZHNSA-N 1 2 339.480 1.553 20 30 EDEDLO CCc1csc(NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000330353490 444948875 /nfs/dbraw/zinc/94/88/75/444948875.db2.gz ONCVDODNABBOBB-GFCCVEGCSA-N 1 2 334.449 1.973 20 30 EDEDLO CS[C@H](CO)[C@H](C)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000330402166 444967089 /nfs/dbraw/zinc/96/70/89/444967089.db2.gz OQTZBHULOFEYIU-YNEHKIRRSA-N 1 2 326.466 1.685 20 30 EDEDLO C[C@@](O)(C[NH+]1CCN(CC(F)(F)C(F)F)CC1)C(F)(F)F ZINC000337173627 444973040 /nfs/dbraw/zinc/97/30/40/444973040.db2.gz HHPPQRJYOYYXPH-SECBINFHSA-N 1 2 326.256 1.818 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000337084134 444935175 /nfs/dbraw/zinc/93/51/75/444935175.db2.gz CHRGCUBHEQVAPL-UHFFFAOYSA-N 1 2 347.444 1.717 20 30 EDEDLO CO[C@@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000344563088 445061404 /nfs/dbraw/zinc/06/14/04/445061404.db2.gz FUWJMMXVKWOFSP-MSOLQXFVSA-N 1 2 330.403 1.889 20 30 EDEDLO CO[C@@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000344563088 445061406 /nfs/dbraw/zinc/06/14/06/445061406.db2.gz FUWJMMXVKWOFSP-MSOLQXFVSA-N 1 2 330.403 1.889 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000330567285 445038005 /nfs/dbraw/zinc/03/80/05/445038005.db2.gz LKWVOCKDUQMEMM-TWMKSMIVSA-N 1 2 337.464 1.246 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000330567285 445038009 /nfs/dbraw/zinc/03/80/09/445038009.db2.gz LKWVOCKDUQMEMM-TWMKSMIVSA-N 1 2 337.464 1.246 20 30 EDEDLO CN(C)c1ncc(C[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)cn1 ZINC000330787289 445141355 /nfs/dbraw/zinc/14/13/55/445141355.db2.gz WZCCGPHKJISBQY-UHFFFAOYSA-N 1 2 344.463 1.659 20 30 EDEDLO CN(C)c1ncc(C[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)cn1 ZINC000330787289 445141361 /nfs/dbraw/zinc/14/13/61/445141361.db2.gz WZCCGPHKJISBQY-UHFFFAOYSA-N 1 2 344.463 1.659 20 30 EDEDLO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330912188 445191294 /nfs/dbraw/zinc/19/12/94/445191294.db2.gz GRPYBQYGHNGJJK-GXTWGEPZSA-N 1 2 337.468 1.842 20 30 EDEDLO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330912188 445191298 /nfs/dbraw/zinc/19/12/98/445191298.db2.gz GRPYBQYGHNGJJK-GXTWGEPZSA-N 1 2 337.468 1.842 20 30 EDEDLO COc1ccccc1[C@@H](CNS(=O)(=O)CCCCC#N)[NH+](C)C ZINC000344989429 445155520 /nfs/dbraw/zinc/15/55/20/445155520.db2.gz ZTPUEMKXCYGYKY-OAHLLOKOSA-N 1 2 339.461 1.911 20 30 EDEDLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCSC[C@@H]2C#N)CC1 ZINC000342078732 445161015 /nfs/dbraw/zinc/16/10/15/445161015.db2.gz VYECVIWOWDOFBK-AWEZNQCLSA-N 1 2 333.461 1.100 20 30 EDEDLO N#Cc1cccc(C2(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CC2)c1 ZINC000343368780 445211420 /nfs/dbraw/zinc/21/14/20/445211420.db2.gz XTUVGOSVOBTNDQ-KRWDZBQOSA-N 1 2 325.412 1.569 20 30 EDEDLO N#Cc1cccc(C2(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CC2)c1 ZINC000343368780 445211422 /nfs/dbraw/zinc/21/14/22/445211422.db2.gz XTUVGOSVOBTNDQ-KRWDZBQOSA-N 1 2 325.412 1.569 20 30 EDEDLO C=CCCN(C)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000346459529 445215367 /nfs/dbraw/zinc/21/53/67/445215367.db2.gz DYCQIEUPECBOSZ-WMLDXEAASA-N 1 2 330.432 1.897 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000346466333 445215681 /nfs/dbraw/zinc/21/56/81/445215681.db2.gz IJGWNEFYSFRTCK-OAHLLOKOSA-N 1 2 344.434 1.894 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000346506239 445217237 /nfs/dbraw/zinc/21/72/37/445217237.db2.gz RCABMBXHVAXWSZ-ZLOXQWCVSA-N 1 2 333.457 1.807 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000346506239 445217238 /nfs/dbraw/zinc/21/72/38/445217238.db2.gz RCABMBXHVAXWSZ-ZLOXQWCVSA-N 1 2 333.457 1.807 20 30 EDEDLO CCS(=O)(=O)N1CC[N@H+](CCOc2ccccc2C#N)[C@H](C)C1 ZINC000347307503 445235678 /nfs/dbraw/zinc/23/56/78/445235678.db2.gz JOKVCMKCZZRYMQ-CQSZACIVSA-N 1 2 337.445 1.293 20 30 EDEDLO CCS(=O)(=O)N1CC[N@@H+](CCOc2ccccc2C#N)[C@H](C)C1 ZINC000347307503 445235680 /nfs/dbraw/zinc/23/56/80/445235680.db2.gz JOKVCMKCZZRYMQ-CQSZACIVSA-N 1 2 337.445 1.293 20 30 EDEDLO C=C(C)COCCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000347611373 445243293 /nfs/dbraw/zinc/24/32/93/445243293.db2.gz XJTJEWZOWDBTMR-OAHLLOKOSA-N 1 2 336.436 1.780 20 30 EDEDLO N#C[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000347696652 445245425 /nfs/dbraw/zinc/24/54/25/445245425.db2.gz CALSBKWSWFZABK-FUHWJXTLSA-N 1 2 342.443 1.739 20 30 EDEDLO CN1CC[C@@H]([NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O ZINC000348319401 445255545 /nfs/dbraw/zinc/25/55/45/445255545.db2.gz MGSSPJCISHXAKH-CVEARBPZSA-N 1 2 332.835 1.753 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)CC(C)(C)C#N)ccn2)CC1 ZINC000355767797 445477198 /nfs/dbraw/zinc/47/71/98/445477198.db2.gz NMIUIZHGFCFHCN-UHFFFAOYSA-N 1 2 329.404 1.348 20 30 EDEDLO C=CCCCCNC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000348918973 445440695 /nfs/dbraw/zinc/44/06/95/445440695.db2.gz AFFFKTBGXHZXMD-UHFFFAOYSA-N 1 2 326.400 1.961 20 30 EDEDLO CN1CCO[C@@H]2C[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C[C@@H]21 ZINC000352094201 445489031 /nfs/dbraw/zinc/48/90/31/445489031.db2.gz XUPLVIDSNMVGIK-LSDHHAIUSA-N 1 2 325.372 1.123 20 30 EDEDLO CN1CCO[C@@H]2C[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C[C@@H]21 ZINC000352094201 445489035 /nfs/dbraw/zinc/48/90/35/445489035.db2.gz XUPLVIDSNMVGIK-LSDHHAIUSA-N 1 2 325.372 1.123 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(Cc3nnc(-c4cccc(C#N)c4)o3)C[C@@H]21 ZINC000352094201 445489041 /nfs/dbraw/zinc/48/90/41/445489041.db2.gz XUPLVIDSNMVGIK-LSDHHAIUSA-N 1 2 325.372 1.123 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(Cc3nnc(-c4cccc(C#N)c4)o3)C[C@@H]21 ZINC000352094201 445489044 /nfs/dbraw/zinc/48/90/44/445489044.db2.gz XUPLVIDSNMVGIK-LSDHHAIUSA-N 1 2 325.372 1.123 20 30 EDEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000352731871 445551253 /nfs/dbraw/zinc/55/12/53/445551253.db2.gz DMEUARFZUIRNEW-UHFFFAOYSA-N 1 2 346.412 1.003 20 30 EDEDLO C=CCOC[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(=O)OC ZINC000357671230 445575154 /nfs/dbraw/zinc/57/51/54/445575154.db2.gz OGWXFUKLAICXND-MRXNPFEDSA-N 1 2 343.383 1.405 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000360301268 445685561 /nfs/dbraw/zinc/68/55/61/445685561.db2.gz RQULMOPJPQTGNZ-OAHLLOKOSA-N 1 2 338.496 1.925 20 30 EDEDLO CCC(C)(C)NC(=O)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349910818 445718815 /nfs/dbraw/zinc/71/88/15/445718815.db2.gz MMABDPXMAMYMQX-UHFFFAOYSA-N 1 2 332.452 1.027 20 30 EDEDLO C=CCOC[C@H](NC(=O)Cn1c(C)[nH+]c2ccccc21)C(=O)OC ZINC000360724454 445726476 /nfs/dbraw/zinc/72/64/76/445726476.db2.gz BRBXFYSIZZEFCM-AWEZNQCLSA-N 1 2 331.372 1.205 20 30 EDEDLO C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC000360736979 445728805 /nfs/dbraw/zinc/72/88/05/445728805.db2.gz LIVDWEGXAUUESM-MRXNPFEDSA-N 1 2 338.415 1.342 20 30 EDEDLO C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC000360736979 445728809 /nfs/dbraw/zinc/72/88/09/445728809.db2.gz LIVDWEGXAUUESM-MRXNPFEDSA-N 1 2 338.415 1.342 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)c1 ZINC000361234935 445756380 /nfs/dbraw/zinc/75/63/80/445756380.db2.gz USIADHIAUCVGLX-DLBZAZTESA-N 1 2 334.441 1.975 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCO[C@@H]3CCC[C@@H]32)c1 ZINC000361234935 445756384 /nfs/dbraw/zinc/75/63/84/445756384.db2.gz USIADHIAUCVGLX-DLBZAZTESA-N 1 2 334.441 1.975 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361425848 445765430 /nfs/dbraw/zinc/76/54/30/445765430.db2.gz JLSKKIUPAGWDOO-QWHCGFSZSA-N 1 2 329.391 1.667 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361425848 445765437 /nfs/dbraw/zinc/76/54/37/445765437.db2.gz JLSKKIUPAGWDOO-QWHCGFSZSA-N 1 2 329.391 1.667 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC2CCCC2)CC1 ZINC000363331958 445768836 /nfs/dbraw/zinc/76/88/36/445768836.db2.gz NWLCWICNRNJRRP-UHFFFAOYSA-N 1 2 333.476 1.631 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC2CCCC2)CC1 ZINC000363331958 445768839 /nfs/dbraw/zinc/76/88/39/445768839.db2.gz NWLCWICNRNJRRP-UHFFFAOYSA-N 1 2 333.476 1.631 20 30 EDEDLO C=CCOc1cc(OC)ccc1-c1nc([C@@H]2C[NH+]3CCN2CC3)no1 ZINC000350137800 445777488 /nfs/dbraw/zinc/77/74/88/445777488.db2.gz SRJYDDUEEULBBN-HNNXBMFYSA-N 1 2 342.399 1.982 20 30 EDEDLO C=CCSCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000363373203 445781320 /nfs/dbraw/zinc/78/13/20/445781320.db2.gz HXMCHUGCKCUZSD-HNNXBMFYSA-N 1 2 345.534 1.413 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(c3ncccn3)CC2)CCCCC1 ZINC000363448047 445807625 /nfs/dbraw/zinc/80/76/25/445807625.db2.gz DPCALDNGNJPRMN-UHFFFAOYSA-N 1 2 342.447 1.331 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCN(c3ncccn3)CC2)CCCCC1 ZINC000363448047 445807628 /nfs/dbraw/zinc/80/76/28/445807628.db2.gz DPCALDNGNJPRMN-UHFFFAOYSA-N 1 2 342.447 1.331 20 30 EDEDLO C=CCNC(=O)Cc1noc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000350726274 445889365 /nfs/dbraw/zinc/88/93/65/445889365.db2.gz IAFLFFHFKXQIEA-HNNXBMFYSA-N 1 2 342.399 1.488 20 30 EDEDLO C=CCNC(=O)Cc1noc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000350726274 445889368 /nfs/dbraw/zinc/88/93/68/445889368.db2.gz IAFLFFHFKXQIEA-HNNXBMFYSA-N 1 2 342.399 1.488 20 30 EDEDLO Cn1c[nH+]c2c1CCN(C(=O)c1ccc(-n3ncc(C#N)c3N)cc1)C2 ZINC000361597395 445840899 /nfs/dbraw/zinc/84/08/99/445840899.db2.gz NXYDFKSEJOMPRO-UHFFFAOYSA-N 1 2 347.382 1.258 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](CCOC)CC1 ZINC000361638612 445860053 /nfs/dbraw/zinc/86/00/53/445860053.db2.gz CNUJXVFFNCJOQJ-UHFFFAOYSA-N 1 2 334.416 1.664 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000354025068 445860662 /nfs/dbraw/zinc/86/06/62/445860662.db2.gz YHLYAVVERYNVLD-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO CCCN1C(=O)CC[C@H](C(=O)N[C@@H](CC)CC#N)[C@@H]1c1c[nH+]cn1C ZINC000356761034 445992230 /nfs/dbraw/zinc/99/22/30/445992230.db2.gz GRSQANKNCFIIJX-GRDNDAEWSA-N 1 2 345.447 1.918 20 30 EDEDLO C=CCCn1cc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)nn1 ZINC000351281985 446023616 /nfs/dbraw/zinc/02/36/16/446023616.db2.gz AOOPVHHUIUWJES-OCCSQVGLSA-N 1 2 330.392 1.830 20 30 EDEDLO C=CCCn1cc(-c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)nn1 ZINC000351281985 446023625 /nfs/dbraw/zinc/02/36/25/446023625.db2.gz AOOPVHHUIUWJES-OCCSQVGLSA-N 1 2 330.392 1.830 20 30 EDEDLO Cn1cc(C[N@H+](C)[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1C#N ZINC000365266551 446111823 /nfs/dbraw/zinc/11/18/23/446111823.db2.gz WYCPAQMSKQJPQE-QGZVFWFLSA-N 1 2 336.395 1.656 20 30 EDEDLO Cn1cc(C[N@@H+](C)[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1C#N ZINC000365266551 446111828 /nfs/dbraw/zinc/11/18/28/446111828.db2.gz WYCPAQMSKQJPQE-QGZVFWFLSA-N 1 2 336.395 1.656 20 30 EDEDLO CN1CC[NH+]([C@@H](C(=O)N2CCC(F)(C#N)CC2)c2ccccc2)CC1 ZINC000359354626 446168965 /nfs/dbraw/zinc/16/89/65/446168965.db2.gz XQLYHNJZLXCLIL-QGZVFWFLSA-N 1 2 344.434 1.829 20 30 EDEDLO N#Cc1ccc(OCC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000354372358 446154839 /nfs/dbraw/zinc/15/48/39/446154839.db2.gz MYYBLZHTONLRJA-UHFFFAOYSA-N 1 2 325.372 1.005 20 30 EDEDLO N#Cc1cccc(NC(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1 ZINC000370301814 446222454 /nfs/dbraw/zinc/22/24/54/446222454.db2.gz SYOJYCCYIPQIGP-MRXNPFEDSA-N 1 2 341.415 1.376 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)NCc1ccc(C#N)cc1)CCO2 ZINC000365548796 446249797 /nfs/dbraw/zinc/24/97/97/446249797.db2.gz AGASHYQRCXYSKP-KDOFPFPSSA-N 1 2 329.400 1.054 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CCO2 ZINC000365548796 446249802 /nfs/dbraw/zinc/24/98/02/446249802.db2.gz AGASHYQRCXYSKP-KDOFPFPSSA-N 1 2 329.400 1.054 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1=O ZINC000373940947 446343598 /nfs/dbraw/zinc/34/35/98/446343598.db2.gz YNTPSBWXXQVNAZ-HNNXBMFYSA-N 1 2 345.447 1.190 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000374355423 446364705 /nfs/dbraw/zinc/36/47/05/446364705.db2.gz XYCLACQEPYJEKL-AUUYWEPGSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000374355423 446364709 /nfs/dbraw/zinc/36/47/09/446364709.db2.gz XYCLACQEPYJEKL-AUUYWEPGSA-N 1 2 334.379 1.936 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000420437376 446612523 /nfs/dbraw/zinc/61/25/23/446612523.db2.gz CIUPGDRPCHXZFP-CYBMUJFWSA-N 1 2 329.372 1.222 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)nc1 ZINC000371017518 446578281 /nfs/dbraw/zinc/57/82/81/446578281.db2.gz JYCUVYUFIPIOMG-OAHLLOKOSA-N 1 2 336.399 1.061 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434695050 446658225 /nfs/dbraw/zinc/65/82/25/446658225.db2.gz OXIRIGFKHFRZCC-DFGXFYAUSA-N 1 2 338.496 1.470 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434695050 446658229 /nfs/dbraw/zinc/65/82/29/446658229.db2.gz OXIRIGFKHFRZCC-DFGXFYAUSA-N 1 2 338.496 1.470 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434698410 446658352 /nfs/dbraw/zinc/65/83/52/446658352.db2.gz UZNGSJALOFKJLV-YJBOKZPZSA-N 1 2 338.496 1.472 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434698410 446658355 /nfs/dbraw/zinc/65/83/55/446658355.db2.gz UZNGSJALOFKJLV-YJBOKZPZSA-N 1 2 338.496 1.472 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC2(CCOC2=O)CC1 ZINC000371151876 446659425 /nfs/dbraw/zinc/65/94/25/446659425.db2.gz QVDFAJOEXNMRBM-CYBMUJFWSA-N 1 2 327.384 1.914 20 30 EDEDLO C=C[C@@H]1CCCC[N@H+]1Cc1nc(N)nc(Nc2ccccc2OC)n1 ZINC000411651249 446633968 /nfs/dbraw/zinc/63/39/68/446633968.db2.gz CHCFFGYTYMUBAC-CYBMUJFWSA-N 1 2 340.431 2.168 20 30 EDEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(N)nc(Nc2ccccc2OC)n1 ZINC000411651249 446633976 /nfs/dbraw/zinc/63/39/76/446633976.db2.gz CHCFFGYTYMUBAC-CYBMUJFWSA-N 1 2 340.431 2.168 20 30 EDEDLO C=CC(C)(C)CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000454355985 446856649 /nfs/dbraw/zinc/85/66/49/446856649.db2.gz CFLKBWQMEXOXJB-INIZCTEOSA-N 1 2 327.494 1.706 20 30 EDEDLO C=CC(C)(C)CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000454355987 446856978 /nfs/dbraw/zinc/85/69/78/446856978.db2.gz CFLKBWQMEXOXJB-MRXNPFEDSA-N 1 2 327.494 1.706 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(-c2cccnc2)n[nH]1 ZINC000372094249 446997021 /nfs/dbraw/zinc/99/70/21/446997021.db2.gz FMGDNRDQXMVRMO-UHFFFAOYSA-N 1 2 340.431 1.520 20 30 EDEDLO Cc1cc(NCc2cccc(C(=O)N3CCOCC3)c2)c(C#N)c[nH+]1 ZINC000425215790 447066482 /nfs/dbraw/zinc/06/64/82/447066482.db2.gz OLYKWKITRZMSOE-UHFFFAOYSA-N 1 2 336.395 1.768 20 30 EDEDLO CN1CC[NH+](C[C@H]2CN(c3cc(Cl)ccc3C#N)CCO2)CC1 ZINC000375984322 447192960 /nfs/dbraw/zinc/19/29/60/447192960.db2.gz ITUHZYQUUOWDAV-INIZCTEOSA-N 1 2 334.851 1.664 20 30 EDEDLO CCC[C@]1(CO)CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000377607308 447240630 /nfs/dbraw/zinc/24/06/30/447240630.db2.gz NWOZEDWKUKBVOK-KRWDZBQOSA-N 1 2 336.457 1.816 20 30 EDEDLO CCC[C@]1(CO)CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000377607308 447240636 /nfs/dbraw/zinc/24/06/36/447240636.db2.gz NWOZEDWKUKBVOK-KRWDZBQOSA-N 1 2 336.457 1.816 20 30 EDEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NCC(C)(C)CC#N ZINC000422484392 447587846 /nfs/dbraw/zinc/58/78/46/447587846.db2.gz ZRVAMVFQZVUYQF-UHFFFAOYSA-N 1 2 347.463 1.740 20 30 EDEDLO C=CC(C)(C)CNC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000458989373 447530890 /nfs/dbraw/zinc/53/08/90/447530890.db2.gz PQVYCQRZVKCOMO-KBPBESRZSA-N 1 2 337.443 1.844 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000427034135 447531186 /nfs/dbraw/zinc/53/11/86/447531186.db2.gz LVDADAPUCPHFOS-LBPRGKRZSA-N 1 2 343.774 1.478 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@]3(C#N)C[C@@H]3C)c2)CC1 ZINC000450970085 447638131 /nfs/dbraw/zinc/63/81/31/447638131.db2.gz MVUNEMBIWLDYCA-LIRRHRJNSA-N 1 2 340.427 1.839 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450909741 447612854 /nfs/dbraw/zinc/61/28/54/447612854.db2.gz UXJHXLUMZPOTQT-LLVKDONJSA-N 1 2 347.400 1.917 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450909741 447612859 /nfs/dbraw/zinc/61/28/59/447612859.db2.gz UXJHXLUMZPOTQT-LLVKDONJSA-N 1 2 347.400 1.917 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459473646 447679699 /nfs/dbraw/zinc/67/96/99/447679699.db2.gz XBLZTMXUYUYENK-DZGCQCFKSA-N 1 2 330.388 1.761 20 30 EDEDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459473646 447679708 /nfs/dbraw/zinc/67/97/08/447679708.db2.gz XBLZTMXUYUYENK-DZGCQCFKSA-N 1 2 330.388 1.761 20 30 EDEDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459473646 447679716 /nfs/dbraw/zinc/67/97/16/447679716.db2.gz XBLZTMXUYUYENK-DZGCQCFKSA-N 1 2 330.388 1.761 20 30 EDEDLO CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1COC1 ZINC000451284944 447723363 /nfs/dbraw/zinc/72/33/63/447723363.db2.gz KSQLACRLHYACQA-UHFFFAOYSA-N 1 2 340.345 1.894 20 30 EDEDLO CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1COC1 ZINC000451284944 447723371 /nfs/dbraw/zinc/72/33/71/447723371.db2.gz KSQLACRLHYACQA-UHFFFAOYSA-N 1 2 340.345 1.894 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451796872 447754667 /nfs/dbraw/zinc/75/46/67/447754667.db2.gz NEZPTJSMNXNNNL-ZDUSSCGKSA-N 1 2 329.391 1.423 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F ZINC000451796872 447754668 /nfs/dbraw/zinc/75/46/68/447754668.db2.gz NEZPTJSMNXNNNL-ZDUSSCGKSA-N 1 2 329.391 1.423 20 30 EDEDLO COC(=O)C[C@](C)([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1ccccn1 ZINC000429684064 447755435 /nfs/dbraw/zinc/75/54/35/447755435.db2.gz SCRGSCXBVYCKAC-ZWKOTPCHSA-N 1 2 346.431 1.504 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451915086 447782977 /nfs/dbraw/zinc/78/29/77/447782977.db2.gz VCBOXOBWSBRHJZ-ZWNOBZJWSA-N 1 2 345.321 1.952 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451915086 447782980 /nfs/dbraw/zinc/78/29/80/447782980.db2.gz VCBOXOBWSBRHJZ-ZWNOBZJWSA-N 1 2 345.321 1.952 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCOCC2CCC2)c1=O ZINC000569709295 447874355 /nfs/dbraw/zinc/87/43/55/447874355.db2.gz AJPQKVAMSVVHQW-UHFFFAOYSA-N 1 2 331.416 1.369 20 30 EDEDLO COc1cccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)n1 ZINC000530519676 447904863 /nfs/dbraw/zinc/90/48/63/447904863.db2.gz OMTONOZTNVDRHQ-UHFFFAOYSA-N 1 2 326.404 1.326 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cn2nc(C)n(CCC)c2=S)CC1 ZINC000491165008 447944723 /nfs/dbraw/zinc/94/47/23/447944723.db2.gz HNGYLDSZXDOFJJ-UHFFFAOYSA-N 1 2 335.477 1.551 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCOC2)CC1 ZINC000491165662 447945058 /nfs/dbraw/zinc/94/50/58/447945058.db2.gz MQSLDSSECFKUPE-HZPDHXFCSA-N 1 2 331.464 1.583 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000491165786 447945862 /nfs/dbraw/zinc/94/58/62/447945862.db2.gz NEICBGHPHRNFNA-ZBFHGGJFSA-N 1 2 347.436 1.588 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000491165786 447945867 /nfs/dbraw/zinc/94/58/67/447945867.db2.gz NEICBGHPHRNFNA-ZBFHGGJFSA-N 1 2 347.436 1.588 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000524373072 447928388 /nfs/dbraw/zinc/92/83/88/447928388.db2.gz ZSXUDVJOWPOMBJ-UHFFFAOYSA-N 1 2 346.412 1.045 20 30 EDEDLO COc1ccc(/C=C\C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000491347824 448000645 /nfs/dbraw/zinc/00/06/45/448000645.db2.gz DQOQKQIXVGFXNW-YVMONPNESA-N 1 2 343.427 1.783 20 30 EDEDLO C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000491228700 447966970 /nfs/dbraw/zinc/96/69/70/447966970.db2.gz BPUDRAGWCZIZLM-CQSZACIVSA-N 1 2 348.516 1.869 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@H](C(=O)OCC)c2ccccc2)CC1 ZINC000491439997 448029626 /nfs/dbraw/zinc/02/96/26/448029626.db2.gz MQSTXFFANHFSII-KRWDZBQOSA-N 1 2 328.412 1.752 20 30 EDEDLO CCOC(=O)Nc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1C#N ZINC000496913431 448031821 /nfs/dbraw/zinc/03/18/21/448031821.db2.gz YLADMJJMXRRGEF-OAHLLOKOSA-N 1 2 345.403 1.745 20 30 EDEDLO CCOC(=O)Nc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1C#N ZINC000496913431 448031825 /nfs/dbraw/zinc/03/18/25/448031825.db2.gz YLADMJJMXRRGEF-OAHLLOKOSA-N 1 2 345.403 1.745 20 30 EDEDLO COc1cc(C[NH+]2CCN(c3cc(C#N)ncn3)CC2)cc(OC)c1 ZINC000576572763 448086208 /nfs/dbraw/zinc/08/62/08/448086208.db2.gz OKPQBZJUBPZWRP-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000527135606 448168561 /nfs/dbraw/zinc/16/85/61/448168561.db2.gz XMWTWNUYBDOAJX-INIZCTEOSA-N 1 2 340.427 1.676 20 30 EDEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000527135606 448168563 /nfs/dbraw/zinc/16/85/63/448168563.db2.gz XMWTWNUYBDOAJX-INIZCTEOSA-N 1 2 340.427 1.676 20 30 EDEDLO CC(C)CO[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000532346826 448241471 /nfs/dbraw/zinc/24/14/71/448241471.db2.gz RLABVAWASJKXRJ-DLBZAZTESA-N 1 2 341.411 1.937 20 30 EDEDLO CC(C)CO[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000532346826 448241480 /nfs/dbraw/zinc/24/14/80/448241480.db2.gz RLABVAWASJKXRJ-DLBZAZTESA-N 1 2 341.411 1.937 20 30 EDEDLO C=CCOCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000591108473 448264481 /nfs/dbraw/zinc/26/44/81/448264481.db2.gz IBLLPGRGGLYUEU-UHFFFAOYSA-N 1 2 332.400 1.305 20 30 EDEDLO CCC1CCC2(CC1)NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C2=O ZINC000591241216 448297150 /nfs/dbraw/zinc/29/71/50/448297150.db2.gz NVWNINKCIDVQOQ-XOYHFGRZSA-N 1 2 336.436 1.084 20 30 EDEDLO CCC1CCC2(CC1)NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C2=O ZINC000591241216 448297151 /nfs/dbraw/zinc/29/71/51/448297151.db2.gz NVWNINKCIDVQOQ-XOYHFGRZSA-N 1 2 336.436 1.084 20 30 EDEDLO COc1cc([C@H](C#N)NC(=O)C=Cc2c[nH]c[nH+]2)cc(OC)c1OC ZINC000492808724 448300884 /nfs/dbraw/zinc/30/08/84/448300884.db2.gz DLSPQRXBPCJECX-ZFDPJTLLSA-N 1 2 342.355 1.830 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000577572919 448326989 /nfs/dbraw/zinc/32/69/89/448326989.db2.gz JRBMBMDSJLWDKE-IUODEOHRSA-N 1 2 328.372 1.370 20 30 EDEDLO Cc1cc(C)n2c(C[NH+]3CCN(c4cnccc4C#N)CC3)cnc2n1 ZINC000577570251 448327656 /nfs/dbraw/zinc/32/76/56/448327656.db2.gz KIVGTSPVSLEIGF-UHFFFAOYSA-N 1 2 347.426 1.935 20 30 EDEDLO C[C@H](Oc1cnc2ccccc2c1)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000582968478 448391926 /nfs/dbraw/zinc/39/19/26/448391926.db2.gz RYWMDUXEYVOAFK-SCLBCKFNSA-N 1 2 326.400 1.962 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000577888091 448412481 /nfs/dbraw/zinc/41/24/81/448412481.db2.gz HJMVRQDXWZHBJK-QGZVFWFLSA-N 1 2 342.424 1.430 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1nc(-c2ccncc2)no1 ZINC000565658977 448375316 /nfs/dbraw/zinc/37/53/16/448375316.db2.gz BFTPHIFKZXIODV-MRXNPFEDSA-N 1 2 328.376 1.024 20 30 EDEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000534314511 448444386 /nfs/dbraw/zinc/44/43/86/448444386.db2.gz JBOXRYWOPQBUJB-IRXDYDNUSA-N 1 2 348.468 1.698 20 30 EDEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000534314511 448444388 /nfs/dbraw/zinc/44/43/88/448444388.db2.gz JBOXRYWOPQBUJB-IRXDYDNUSA-N 1 2 348.468 1.698 20 30 EDEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c(OC(F)F)c1 ZINC000516870993 448486916 /nfs/dbraw/zinc/48/69/16/448486916.db2.gz USAZXMOGYREZDC-HNNXBMFYSA-N 1 2 327.331 1.870 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OCCC)cc2)CC1 ZINC000535782202 448507521 /nfs/dbraw/zinc/50/75/21/448507521.db2.gz GUARWHYPLDHLNS-UHFFFAOYSA-N 1 2 331.460 1.895 20 30 EDEDLO N#CC1(NC(=O)CCc2nc[nH]n2)CC[NH+](Cc2ccccc2)CC1 ZINC000537597196 448563584 /nfs/dbraw/zinc/56/35/84/448563584.db2.gz HQVMLLDIJDRJRE-UHFFFAOYSA-N 1 2 338.415 1.412 20 30 EDEDLO CC(C)CN1CC[N@H+](C[C@H](O)COc2ccccc2C#N)[C@@H](C)C1=O ZINC000528463181 448538460 /nfs/dbraw/zinc/53/84/60/448538460.db2.gz GLQPEEWOBFTCQY-RDJZCZTQSA-N 1 2 345.443 1.487 20 30 EDEDLO CC(C)CN1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)[C@@H](C)C1=O ZINC000528463181 448538462 /nfs/dbraw/zinc/53/84/62/448538462.db2.gz GLQPEEWOBFTCQY-RDJZCZTQSA-N 1 2 345.443 1.487 20 30 EDEDLO C[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)[C@H](C)O1 ZINC000528470521 448541643 /nfs/dbraw/zinc/54/16/43/448541643.db2.gz ICZUMODOFBTUHH-ILXRZTDVSA-N 1 2 326.396 1.784 20 30 EDEDLO C[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)[C@H](C)O1 ZINC000528470521 448541648 /nfs/dbraw/zinc/54/16/48/448541648.db2.gz ICZUMODOFBTUHH-ILXRZTDVSA-N 1 2 326.396 1.784 20 30 EDEDLO COC[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000528473510 448542374 /nfs/dbraw/zinc/54/23/74/448542374.db2.gz ONEYBNBDFHTSHM-LSDHHAIUSA-N 1 2 342.395 1.022 20 30 EDEDLO COC[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000528473510 448542381 /nfs/dbraw/zinc/54/23/81/448542381.db2.gz ONEYBNBDFHTSHM-LSDHHAIUSA-N 1 2 342.395 1.022 20 30 EDEDLO CSc1nnc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)s1 ZINC000567105124 448614725 /nfs/dbraw/zinc/61/47/25/448614725.db2.gz SWLFHKFOZCUVNE-LLVKDONJSA-N 1 2 336.442 1.661 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2ccc(C#N)s2)C1=O ZINC000541227579 448668440 /nfs/dbraw/zinc/66/84/40/448668440.db2.gz LLNQOXKWAKVYDD-LBPRGKRZSA-N 1 2 343.412 1.274 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528789032 448677439 /nfs/dbraw/zinc/67/74/39/448677439.db2.gz RXVNXQYDEVRZPB-HEKGGQFHSA-N 1 2 331.441 1.871 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528789032 448677440 /nfs/dbraw/zinc/67/74/40/448677440.db2.gz RXVNXQYDEVRZPB-HEKGGQFHSA-N 1 2 331.441 1.871 20 30 EDEDLO C[NH+]1CCC(C#N)(NC(=O)CCC(=O)c2ccc(Cl)cn2)CC1 ZINC000547424321 448878337 /nfs/dbraw/zinc/87/83/37/448878337.db2.gz LRZWWZAKYZLQQC-UHFFFAOYSA-N 1 2 334.807 1.802 20 30 EDEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nnn1-c1ccccc1Cl ZINC000568634574 448900252 /nfs/dbraw/zinc/90/02/52/448900252.db2.gz ORVDWHAELXIKDZ-INIZCTEOSA-N 1 2 346.822 1.803 20 30 EDEDLO CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000581072759 448964839 /nfs/dbraw/zinc/96/48/39/448964839.db2.gz BRXMOCORKYVIAN-LJQANCHMSA-N 1 2 344.459 1.875 20 30 EDEDLO C=CCCn1cc(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)nn1 ZINC000529845832 448984676 /nfs/dbraw/zinc/98/46/76/448984676.db2.gz LZJXMJUBPWSONC-UHFFFAOYSA-N 1 2 343.435 1.918 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000568958832 448944146 /nfs/dbraw/zinc/94/41/46/448944146.db2.gz RMJYCVFXCGTJOC-CYBMUJFWSA-N 1 2 329.360 1.456 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000568958832 448944154 /nfs/dbraw/zinc/94/41/54/448944154.db2.gz RMJYCVFXCGTJOC-CYBMUJFWSA-N 1 2 329.360 1.456 20 30 EDEDLO N#CCCC1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000592819535 449004885 /nfs/dbraw/zinc/00/48/85/449004885.db2.gz GRGOCAZYPDYGSZ-UHFFFAOYSA-N 1 2 341.459 1.746 20 30 EDEDLO CC(C)S(=O)(=O)c1cccc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000548432688 449042235 /nfs/dbraw/zinc/04/22/35/449042235.db2.gz RGVAXJTYVUEELR-UHFFFAOYSA-N 1 2 349.456 1.586 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H](C)O1 ZINC000593084638 449126918 /nfs/dbraw/zinc/12/69/18/449126918.db2.gz MEZIJUOXAWWUEG-JQWIXIFHSA-N 1 2 337.401 1.211 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H](C)O1 ZINC000593084638 449126920 /nfs/dbraw/zinc/12/69/20/449126920.db2.gz MEZIJUOXAWWUEG-JQWIXIFHSA-N 1 2 337.401 1.211 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(C#N)c1C ZINC000595728185 449134328 /nfs/dbraw/zinc/13/43/28/449134328.db2.gz LDNWUCWVTCHZKS-GXTWGEPZSA-N 1 2 346.456 1.776 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(C#N)c1C ZINC000595728185 449134332 /nfs/dbraw/zinc/13/43/32/449134332.db2.gz LDNWUCWVTCHZKS-GXTWGEPZSA-N 1 2 346.456 1.776 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(C#N)c1C ZINC000595728187 449134482 /nfs/dbraw/zinc/13/44/82/449134482.db2.gz LDNWUCWVTCHZKS-OCCSQVGLSA-N 1 2 346.456 1.776 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(C#N)c1C ZINC000595728187 449134484 /nfs/dbraw/zinc/13/44/84/449134484.db2.gz LDNWUCWVTCHZKS-OCCSQVGLSA-N 1 2 346.456 1.776 20 30 EDEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000593596139 449097142 /nfs/dbraw/zinc/09/71/42/449097142.db2.gz OOVKJZKFUWZPKR-UHFFFAOYSA-N 1 2 330.413 1.889 20 30 EDEDLO CO[C@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000595659493 449101420 /nfs/dbraw/zinc/10/14/20/449101420.db2.gz OQQNRYPJXXLEMM-SJKOYZFVSA-N 1 2 335.404 1.568 20 30 EDEDLO CO[C@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000595659493 449101422 /nfs/dbraw/zinc/10/14/22/449101422.db2.gz OQQNRYPJXXLEMM-SJKOYZFVSA-N 1 2 335.404 1.568 20 30 EDEDLO CN(C(=O)Nc1nn(C)cc1C#N)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000590121351 449109612 /nfs/dbraw/zinc/10/96/12/449109612.db2.gz GPOCRGZDJRGPKK-CQSZACIVSA-N 1 2 335.371 2.268 20 30 EDEDLO Cc1onc(CC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)c1C#N ZINC000597844726 449119597 /nfs/dbraw/zinc/11/95/97/449119597.db2.gz BIHVYVAJCYFPDA-AWEZNQCLSA-N 1 2 331.376 1.007 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc(C#N)cc1)C(C)(C)CO ZINC000597846404 449120577 /nfs/dbraw/zinc/12/05/77/449120577.db2.gz LGOUVLHDARERGK-MRXNPFEDSA-N 1 2 326.400 1.710 20 30 EDEDLO N#CC[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000597903395 449138666 /nfs/dbraw/zinc/13/86/66/449138666.db2.gz IPSNWFSJKKGDDN-HNNXBMFYSA-N 1 2 328.416 1.680 20 30 EDEDLO N#CC[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000597910351 449140361 /nfs/dbraw/zinc/14/03/61/449140361.db2.gz ZNEMNQQCJOZMBI-INIZCTEOSA-N 1 2 327.432 1.356 20 30 EDEDLO N#Cc1cc(C(=O)N(CC[NH+]2CCOCC2)[C@H]2CCSC2)c[nH]1 ZINC000590388998 449143538 /nfs/dbraw/zinc/14/35/38/449143538.db2.gz QPIXWALDDGAUCI-HNNXBMFYSA-N 1 2 334.445 1.166 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC000611173880 449199910 /nfs/dbraw/zinc/19/99/10/449199910.db2.gz PLTOTYFEKRMUQA-KRWDZBQOSA-N 1 2 339.443 1.853 20 30 EDEDLO CCc1ccc(CN(C)C(=O)C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000611175026 449200429 /nfs/dbraw/zinc/20/04/29/449200429.db2.gz VMBXKDUZOFJQLI-UHFFFAOYSA-N 1 2 328.460 1.739 20 30 EDEDLO N#CCCN1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000611175392 449201790 /nfs/dbraw/zinc/20/17/90/449201790.db2.gz XVCXZHMXWCEDQH-INIZCTEOSA-N 1 2 328.416 1.158 20 30 EDEDLO N#CCc1ccccc1S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000590590676 449206297 /nfs/dbraw/zinc/20/62/97/449206297.db2.gz JFDREDAQRVMDEG-HNNXBMFYSA-N 1 2 342.424 1.705 20 30 EDEDLO CCOC(=O)C12CC(C1)C[N@@H+]2CCC(=O)Nc1sccc1C#N ZINC000595859991 449212714 /nfs/dbraw/zinc/21/27/14/449212714.db2.gz GPGCTNKNWUVRDJ-UHFFFAOYSA-N 1 2 333.413 1.976 20 30 EDEDLO CCOC(=O)C12CC(C1)C[N@H+]2CCC(=O)Nc1sccc1C#N ZINC000595859991 449212717 /nfs/dbraw/zinc/21/27/17/449212717.db2.gz GPGCTNKNWUVRDJ-UHFFFAOYSA-N 1 2 333.413 1.976 20 30 EDEDLO CN1CC[C@](C)(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000602034010 449288966 /nfs/dbraw/zinc/28/89/66/449288966.db2.gz RFLQIWDFVSVJJR-IBGZPJMESA-N 1 2 340.427 1.071 20 30 EDEDLO Cc1csc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1C#N ZINC000594107335 449356603 /nfs/dbraw/zinc/35/66/03/449356603.db2.gz FNJDUIKLECQKLS-UHFFFAOYSA-N 1 2 335.433 1.342 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N[C@@]1(C#N)CCSC1)C(F)(F)F ZINC000594258062 449415743 /nfs/dbraw/zinc/41/57/43/449415743.db2.gz ZURSWYHQYIJWKO-BXKDBHETSA-N 1 2 332.351 1.972 20 30 EDEDLO Cc1cc(N2C[C@H]3CC[C@@H](C2)O3)c(C#N)c(N2C[C@H]3CC[C@@H](C2)O3)[nH+]1 ZINC000596144330 449383706 /nfs/dbraw/zinc/38/37/06/449383706.db2.gz DGHOGYFSJSNGCI-GEEKYZPCSA-N 1 2 340.427 1.997 20 30 EDEDLO C[C@@H](C(=O)N1CCC(C#N)(c2ccccn2)CC1)[NH+]1CCOCC1 ZINC000594355972 449464307 /nfs/dbraw/zinc/46/43/07/449464307.db2.gz WTJFGTVLBQNLAU-HNNXBMFYSA-N 1 2 328.416 1.186 20 30 EDEDLO N#CC1(C[C@@H](O)C[NH2+][C@@H](CO)c2nc(-c3ccccc3)no2)CC1 ZINC000600746261 449530312 /nfs/dbraw/zinc/53/03/12/449530312.db2.gz VMSOAXIHVACFOC-KGLIPLIRSA-N 1 2 328.372 1.414 20 30 EDEDLO C[C@H]1C[N@H+](CCNc2ncc(Br)cc2C#N)[C@@H](C)CO1 ZINC000596430201 449499377 /nfs/dbraw/zinc/49/93/77/449499377.db2.gz KMPVQPXGZONPPS-QWRGUYRKSA-N 1 2 339.237 2.237 20 30 EDEDLO C[C@H]1C[N@@H+](CCNc2ncc(Br)cc2C#N)[C@@H](C)CO1 ZINC000596430201 449499379 /nfs/dbraw/zinc/49/93/79/449499379.db2.gz KMPVQPXGZONPPS-QWRGUYRKSA-N 1 2 339.237 2.237 20 30 EDEDLO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602437706 449586015 /nfs/dbraw/zinc/58/60/15/449586015.db2.gz XHTZHQFMALXRHM-GFCCVEGCSA-N 1 2 340.449 1.538 20 30 EDEDLO C[C@H](CC#N)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000596586211 449562996 /nfs/dbraw/zinc/56/29/96/449562996.db2.gz GQVLYJVCHDCBFZ-GFCCVEGCSA-N 1 2 340.387 1.536 20 30 EDEDLO N#Cc1cccnc1-n1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000600975865 449627973 /nfs/dbraw/zinc/62/79/73/449627973.db2.gz FNEWJXFYIIHPNW-UHFFFAOYSA-N 1 2 345.410 1.856 20 30 EDEDLO COc1ccnc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1F ZINC000594732745 449655022 /nfs/dbraw/zinc/65/50/22/449655022.db2.gz MQJRWDATAJYLNF-UHFFFAOYSA-N 1 2 349.387 1.664 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3Cc4c[nH+]cn4C3)C2)c(F)c1 ZINC000598946983 449664494 /nfs/dbraw/zinc/66/44/94/449664494.db2.gz KGKVRVFRNXYDHO-KBPBESRZSA-N 1 2 339.374 1.461 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601126177 449705284 /nfs/dbraw/zinc/70/52/84/449705284.db2.gz NVTLGPIZWPJLAR-UHFFFAOYSA-N 1 2 329.429 1.554 20 30 EDEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c2nccn2c1 ZINC000599230227 449816896 /nfs/dbraw/zinc/81/68/96/449816896.db2.gz NDRYFYDWPTVDHO-UHFFFAOYSA-N 1 2 341.415 1.331 20 30 EDEDLO CO[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000599230291 449817181 /nfs/dbraw/zinc/81/71/81/449817181.db2.gz PEDKTPUYYCBQIB-QGZVFWFLSA-N 1 2 349.406 1.588 20 30 EDEDLO C[C@H](CC#N)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000597121959 449824716 /nfs/dbraw/zinc/82/47/16/449824716.db2.gz PWEVDWUQMYBEQQ-CQSZACIVSA-N 1 2 344.415 1.237 20 30 EDEDLO C=CCCSCCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000597214088 449875010 /nfs/dbraw/zinc/87/50/10/449875010.db2.gz SWRPZYFSPUGSCN-UHFFFAOYSA-N 1 2 346.456 1.684 20 30 EDEDLO COCc1cccc(CNC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602865389 449875031 /nfs/dbraw/zinc/87/50/31/449875031.db2.gz SOPJZDCLYGIBSF-HOTGVXAUSA-N 1 2 344.459 1.367 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@H](C)N1CC#N ZINC000602867077 449876325 /nfs/dbraw/zinc/87/63/25/449876325.db2.gz XIJOKHLCUADMOF-OKILXGFUSA-N 1 2 335.452 1.063 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@H](C)N1CC#N ZINC000602867077 449876327 /nfs/dbraw/zinc/87/63/27/449876327.db2.gz XIJOKHLCUADMOF-OKILXGFUSA-N 1 2 335.452 1.063 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000614923522 449878372 /nfs/dbraw/zinc/87/83/72/449878372.db2.gz BDGMWGKIAAFTSI-GWCFXTLKSA-N 1 2 337.342 1.430 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000614923522 449878375 /nfs/dbraw/zinc/87/83/75/449878375.db2.gz BDGMWGKIAAFTSI-GWCFXTLKSA-N 1 2 337.342 1.430 20 30 EDEDLO CN(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602873052 449881667 /nfs/dbraw/zinc/88/16/67/449881667.db2.gz KLSYPMYBKHGQLJ-GDBMZVCRSA-N 1 2 346.435 1.371 20 30 EDEDLO N#Cc1cccc(N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)n1 ZINC000612799898 449882997 /nfs/dbraw/zinc/88/29/97/449882997.db2.gz NTMQSJGOUOLPCX-UHFFFAOYSA-N 1 2 332.371 1.256 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602924307 449924141 /nfs/dbraw/zinc/92/41/41/449924141.db2.gz NVFBEWOQGRAYAE-NUEKZKHPSA-N 1 2 329.400 1.061 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602924307 449924144 /nfs/dbraw/zinc/92/41/44/449924144.db2.gz NVFBEWOQGRAYAE-NUEKZKHPSA-N 1 2 329.400 1.061 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000602925088 449925726 /nfs/dbraw/zinc/92/57/26/449925726.db2.gz VETUVJGTSUSRQZ-KURKYZTESA-N 1 2 337.379 1.209 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000602925088 449925732 /nfs/dbraw/zinc/92/57/32/449925732.db2.gz VETUVJGTSUSRQZ-KURKYZTESA-N 1 2 337.379 1.209 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1C#N ZINC000609135266 449964752 /nfs/dbraw/zinc/96/47/52/449964752.db2.gz BQMLRIBWYSMHTJ-LBPRGKRZSA-N 1 2 334.445 1.983 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601449505 449972957 /nfs/dbraw/zinc/97/29/57/449972957.db2.gz QUBLZLPPZBIMQO-XJKSGUPXSA-N 1 2 337.445 1.211 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601449505 449972960 /nfs/dbraw/zinc/97/29/60/449972960.db2.gz QUBLZLPPZBIMQO-XJKSGUPXSA-N 1 2 337.445 1.211 20 30 EDEDLO CN(CCC#N)S(=O)(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000601450989 449973921 /nfs/dbraw/zinc/97/39/21/449973921.db2.gz MNPFPIDXIXQRSH-UHFFFAOYSA-N 1 2 334.445 1.037 20 30 EDEDLO CN(CCC#N)S(=O)(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000601450989 449973926 /nfs/dbraw/zinc/97/39/26/449973926.db2.gz MNPFPIDXIXQRSH-UHFFFAOYSA-N 1 2 334.445 1.037 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603006958 450003504 /nfs/dbraw/zinc/00/35/04/450003504.db2.gz SNEPQSIQKQTDHA-MRXNPFEDSA-N 1 2 344.459 1.518 20 30 EDEDLO C[C@@](C#N)(NC(=O)CN1CC[NH+](Cc2ccc(O)cc2)CC1)C1CC1 ZINC000603007105 450003625 /nfs/dbraw/zinc/00/36/25/450003625.db2.gz YFMFBIHGTOMTEK-IBGZPJMESA-N 1 2 342.443 1.318 20 30 EDEDLO Cc1ncc(C[NH+]2CCN(CC(=O)NC3(C#N)CCC3)CC2)s1 ZINC000615224357 450009723 /nfs/dbraw/zinc/00/97/23/450009723.db2.gz LPSCUXYEYYBQPO-UHFFFAOYSA-N 1 2 333.461 1.132 20 30 EDEDLO N#Cc1ccc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cc1 ZINC000609579064 450058011 /nfs/dbraw/zinc/05/80/11/450058011.db2.gz ZEVQKBXOVFLJCO-UHFFFAOYSA-N 1 2 340.427 1.232 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000613163233 450059426 /nfs/dbraw/zinc/05/94/26/450059426.db2.gz OCLXRZZMXAHSPI-OWCLPIDISA-N 1 2 347.463 1.017 20 30 EDEDLO COCCOc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cn1 ZINC000609676488 450083437 /nfs/dbraw/zinc/08/34/37/450083437.db2.gz GJZZGMWYQBFOLX-QGZVFWFLSA-N 1 2 340.383 1.295 20 30 EDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000599586776 450087322 /nfs/dbraw/zinc/08/73/22/450087322.db2.gz DZXXZTCAIBNKNG-HZPDHXFCSA-N 1 2 330.384 1.793 20 30 EDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000599586776 450087323 /nfs/dbraw/zinc/08/73/23/450087323.db2.gz DZXXZTCAIBNKNG-HZPDHXFCSA-N 1 2 330.384 1.793 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C[C@H](C)O1 ZINC000595375335 450088074 /nfs/dbraw/zinc/08/80/74/450088074.db2.gz CFUGBOAWQWXAGG-NSHGMRRFSA-N 1 2 342.487 1.978 20 30 EDEDLO N#Cc1ccnc(N2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)c1 ZINC000610026619 450130218 /nfs/dbraw/zinc/13/02/18/450130218.db2.gz PPHVGJTZYPOKMA-UHFFFAOYSA-N 1 2 347.382 1.955 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc(C#N)cc1 ZINC000599700079 450162339 /nfs/dbraw/zinc/16/23/39/450162339.db2.gz VKERWTZYCFDVNM-SFHVURJKSA-N 1 2 344.415 1.296 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Nc1ccc(C#N)cc1 ZINC000599700079 450162345 /nfs/dbraw/zinc/16/23/45/450162345.db2.gz VKERWTZYCFDVNM-SFHVURJKSA-N 1 2 344.415 1.296 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613411241 450168039 /nfs/dbraw/zinc/16/80/39/450168039.db2.gz KMSOSOQQSBAYMI-UHFFFAOYSA-N 1 2 343.475 1.897 20 30 EDEDLO COC1CC[NH+](Cc2cn([C@H](C)C(=O)NC3(C#N)CCC3)nn2)CC1 ZINC000603240379 450168219 /nfs/dbraw/zinc/16/82/19/450168219.db2.gz VCBVVAFYRRMFNB-CYBMUJFWSA-N 1 2 346.435 1.012 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCc1ccc(C#N)cc1 ZINC000595517664 450201175 /nfs/dbraw/zinc/20/11/75/450201175.db2.gz XPFKORCWJBTVKT-UHFFFAOYSA-N 1 2 330.432 1.511 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCCc1ccc(C#N)cc1 ZINC000595517664 450201180 /nfs/dbraw/zinc/20/11/80/450201180.db2.gz XPFKORCWJBTVKT-UHFFFAOYSA-N 1 2 330.432 1.511 20 30 EDEDLO N#Cc1cccc(F)c1CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597708631 450212350 /nfs/dbraw/zinc/21/23/50/450212350.db2.gz ZAEOKNWBHWLHNM-OAHLLOKOSA-N 1 2 331.391 1.563 20 30 EDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000597711000 450215161 /nfs/dbraw/zinc/21/51/61/450215161.db2.gz ZOENLCORNASGAL-CEXWTWQISA-N 1 2 339.439 1.985 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000595503037 450191457 /nfs/dbraw/zinc/19/14/57/450191457.db2.gz ZCTWUOWBPKBRGF-DJIMGWMZSA-N 1 2 339.443 1.523 20 30 EDEDLO N#Cc1cc(O)cc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC000601727984 450191782 /nfs/dbraw/zinc/19/17/82/450191782.db2.gz KPFGUCSOHPITGS-UHFFFAOYSA-N 1 2 337.379 1.927 20 30 EDEDLO C[C@H](C(=O)N1CC[C@](F)(C#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000615823270 450252750 /nfs/dbraw/zinc/25/27/50/450252750.db2.gz BFYOOKILLSADTE-KDOFPFPSSA-N 1 2 348.397 1.800 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000619368347 450463634 /nfs/dbraw/zinc/46/36/34/450463634.db2.gz DMYHSZRJAXTWOZ-INIZCTEOSA-N 1 2 332.363 1.925 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634510322 451377210 /nfs/dbraw/zinc/37/72/10/451377210.db2.gz WIJLKYFGVFGSNJ-GOSISDBHSA-N 1 2 332.448 1.392 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000632599283 451439072 /nfs/dbraw/zinc/43/90/72/451439072.db2.gz OENDRNVFAUICDM-OAHLLOKOSA-N 1 2 339.480 1.274 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2nnc(C(C)C)s2)nn1 ZINC000641100542 451749450 /nfs/dbraw/zinc/74/94/50/451749450.db2.gz UJRFLXVMZCJLDX-UHFFFAOYSA-N 1 2 333.421 1.005 20 30 EDEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)c2cccc(OC)c2OC)CC1 ZINC000649271982 451944349 /nfs/dbraw/zinc/94/43/49/451944349.db2.gz PMWARIMAPBDZDD-OAHLLOKOSA-N 1 2 334.416 1.399 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000649742007 452221513 /nfs/dbraw/zinc/22/15/13/452221513.db2.gz LWWUFQAXPAPCER-UONOGXRCSA-N 1 2 336.457 1.985 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000649742007 452221521 /nfs/dbraw/zinc/22/15/21/452221521.db2.gz LWWUFQAXPAPCER-UONOGXRCSA-N 1 2 336.457 1.985 20 30 EDEDLO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000662077863 452825205 /nfs/dbraw/zinc/82/52/05/452825205.db2.gz ISYIOFAGRPHZCZ-MAUKXSAKSA-N 1 2 332.400 1.873 20 30 EDEDLO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000662077863 452825213 /nfs/dbraw/zinc/82/52/13/452825213.db2.gz ISYIOFAGRPHZCZ-MAUKXSAKSA-N 1 2 332.400 1.873 20 30 EDEDLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000662077862 452826241 /nfs/dbraw/zinc/82/62/41/452826241.db2.gz ISYIOFAGRPHZCZ-CRAIPNDOSA-N 1 2 332.400 1.873 20 30 EDEDLO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000662077862 452826249 /nfs/dbraw/zinc/82/62/49/452826249.db2.gz ISYIOFAGRPHZCZ-CRAIPNDOSA-N 1 2 332.400 1.873 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000646314022 453309794 /nfs/dbraw/zinc/30/97/94/453309794.db2.gz GHOZNWVPXQMZNF-AWEZNQCLSA-N 1 2 332.404 1.122 20 30 EDEDLO C=CCOc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000661164706 453741916 /nfs/dbraw/zinc/74/19/16/453741916.db2.gz JCHRFCXUWOMTSM-KRWDZBQOSA-N 1 2 345.443 1.868 20 30 EDEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000665615013 453767688 /nfs/dbraw/zinc/76/76/88/453767688.db2.gz YGEMZWMXNANEPI-AWEZNQCLSA-N 1 2 328.334 1.897 20 30 EDEDLO C=CCN(C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H](C)COC ZINC000663537334 453818153 /nfs/dbraw/zinc/81/81/53/453818153.db2.gz AKAUKDWXTPKMIH-HNNXBMFYSA-N 1 2 348.447 1.651 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000685487534 487282702 /nfs/dbraw/zinc/28/27/02/487282702.db2.gz YWYMUFPGIHHLBW-UHFFFAOYSA-N 1 2 349.862 1.849 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000685487534 487282704 /nfs/dbraw/zinc/28/27/04/487282704.db2.gz YWYMUFPGIHHLBW-UHFFFAOYSA-N 1 2 349.862 1.849 20 30 EDEDLO O=C1CCCCN1C1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329742685 485553660 /nfs/dbraw/zinc/55/36/60/485553660.db2.gz WSBYTDRAGPTJGE-CYBMUJFWSA-N 1 2 345.447 1.658 20 30 EDEDLO O=C1CCCCN1C1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329742685 485553667 /nfs/dbraw/zinc/55/36/67/485553667.db2.gz WSBYTDRAGPTJGE-CYBMUJFWSA-N 1 2 345.447 1.658 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)cc1 ZINC000668633408 485973260 /nfs/dbraw/zinc/97/32/60/485973260.db2.gz KYOLUWJQEXHGKM-BBWFWOEESA-N 1 2 337.441 1.495 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)cc1 ZINC000668633408 485973266 /nfs/dbraw/zinc/97/32/66/485973266.db2.gz KYOLUWJQEXHGKM-BBWFWOEESA-N 1 2 337.441 1.495 20 30 EDEDLO CCN(CC)C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000177567921 528027594 /nfs/dbraw/zinc/02/75/94/528027594.db2.gz RLLTUFJOFOWUJT-UHFFFAOYSA-N 1 2 333.436 1.577 20 30 EDEDLO CCN(CCC#N)C(=O)CN(CC[NH+]1CCOCC1)c1ccccc1 ZINC000177650843 528354084 /nfs/dbraw/zinc/35/40/84/528354084.db2.gz DWDZSUZJANBZHA-UHFFFAOYSA-N 1 2 344.459 1.587 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)NCCc2cccc(C#N)c2)CCO1 ZINC000352899673 535355126 /nfs/dbraw/zinc/35/51/26/535355126.db2.gz HMFSHCPYZFWJMI-UHFFFAOYSA-N 1 2 330.432 1.511 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)NCCc2cccc(C#N)c2)CCO1 ZINC000352899673 535355128 /nfs/dbraw/zinc/35/51/28/535355128.db2.gz HMFSHCPYZFWJMI-UHFFFAOYSA-N 1 2 330.432 1.511 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000742136779 579436184 /nfs/dbraw/zinc/43/61/84/579436184.db2.gz YJUQMQPFQBNLTF-ROUUACIJSA-N 1 2 339.439 1.704 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000742136779 579436185 /nfs/dbraw/zinc/43/61/85/579436185.db2.gz YJUQMQPFQBNLTF-ROUUACIJSA-N 1 2 339.439 1.704 20 30 EDEDLO NC(=[NH+]OCC(=O)NCCOc1ccc(F)cc1)c1ccc(F)cc1 ZINC000742353281 579449539 /nfs/dbraw/zinc/44/95/39/579449539.db2.gz YUYOUKWYZAQEST-UHFFFAOYSA-N 1 2 349.337 1.797 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000730096965 578613838 /nfs/dbraw/zinc/61/38/38/578613838.db2.gz RSQBUVCYYUNTNB-KRWDZBQOSA-N 1 2 327.428 1.798 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000730096965 578613840 /nfs/dbraw/zinc/61/38/40/578613840.db2.gz RSQBUVCYYUNTNB-KRWDZBQOSA-N 1 2 327.428 1.798 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1cccc2cccnc21 ZINC000730284212 578639421 /nfs/dbraw/zinc/63/94/21/578639421.db2.gz LYHRRYPSTZKYTF-INIZCTEOSA-N 1 2 336.395 1.387 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1cccc2cccnc21 ZINC000730284212 578639422 /nfs/dbraw/zinc/63/94/22/578639422.db2.gz LYHRRYPSTZKYTF-INIZCTEOSA-N 1 2 336.395 1.387 20 30 EDEDLO CCOC(=O)[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000741245745 578654579 /nfs/dbraw/zinc/65/45/79/578654579.db2.gz IDXUMEOKPYUFAB-GFCCVEGCSA-N 1 2 337.401 1.212 20 30 EDEDLO CCOC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000741245745 578654580 /nfs/dbraw/zinc/65/45/80/578654580.db2.gz IDXUMEOKPYUFAB-GFCCVEGCSA-N 1 2 337.401 1.212 20 30 EDEDLO COCC[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H](C)C(N)=O ZINC000735308995 578875080 /nfs/dbraw/zinc/87/50/80/578875080.db2.gz BMJLQTQAKBLMEV-LLVKDONJSA-N 1 2 325.796 1.565 20 30 EDEDLO COCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H](C)C(N)=O ZINC000735308995 578875081 /nfs/dbraw/zinc/87/50/81/578875081.db2.gz BMJLQTQAKBLMEV-LLVKDONJSA-N 1 2 325.796 1.565 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC000761036235 580045053 /nfs/dbraw/zinc/04/50/53/580045053.db2.gz CIIJHUIYBOQGSI-MRXNPFEDSA-N 1 2 339.436 1.362 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@H](C)c2cccc(Cl)c2)CC1 ZINC000761032720 580045075 /nfs/dbraw/zinc/04/50/75/580045075.db2.gz LYLOMBUIXUTLLA-CYBMUJFWSA-N 1 2 341.864 1.486 20 30 EDEDLO CCN1C(=O)CN(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1=O ZINC000736280467 578971524 /nfs/dbraw/zinc/97/15/24/578971524.db2.gz QTEJJCPHMVPHNY-UHFFFAOYSA-N 1 2 342.399 1.643 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cn2cc(C(=O)OC)c3ccccc32)CC1 ZINC000744422991 579510248 /nfs/dbraw/zinc/51/02/48/579510248.db2.gz ONFRCWMOZWLOPC-UHFFFAOYSA-N 1 2 339.395 1.205 20 30 EDEDLO C=CCn1c(C)cc(C(=O)COC(=O)[C@@H]2C[N@H+](CC)CCO2)c1C ZINC000748460115 579687818 /nfs/dbraw/zinc/68/78/18/579687818.db2.gz RSUBPCIBUGHKAW-KRWDZBQOSA-N 1 2 334.416 1.738 20 30 EDEDLO C=CCn1c(C)cc(C(=O)COC(=O)[C@@H]2C[N@@H+](CC)CCO2)c1C ZINC000748460115 579687820 /nfs/dbraw/zinc/68/78/20/579687820.db2.gz RSUBPCIBUGHKAW-KRWDZBQOSA-N 1 2 334.416 1.738 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(CC(C)C)c2cccc(OC)c2)CC1 ZINC000748814457 579700977 /nfs/dbraw/zinc/70/09/77/579700977.db2.gz BGBHHHZELKQLNL-UHFFFAOYSA-N 1 2 343.471 1.935 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000751441654 579806889 /nfs/dbraw/zinc/80/68/89/579806889.db2.gz FSLBOYXZYUTPAG-SJCJKPOMSA-N 1 2 332.404 1.583 20 30 EDEDLO CSCCNC(=S)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000752734264 579864597 /nfs/dbraw/zinc/86/45/97/579864597.db2.gz OGHRUKRCYHNQQE-UHFFFAOYSA-N 1 2 334.514 1.913 20 30 EDEDLO COc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc([N+](=O)[O-])c1O ZINC000753932656 579891428 /nfs/dbraw/zinc/89/14/28/579891428.db2.gz AATHNZQDNBUSQO-GHMZBOCLSA-N 1 2 333.348 1.503 20 30 EDEDLO O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753937189 579891589 /nfs/dbraw/zinc/89/15/89/579891589.db2.gz WRVXDHVXOPBCOY-VXGBXAGGSA-N 1 2 328.332 1.111 20 30 EDEDLO C[N@H+](CC(=O)[C@H](C#N)c1nnc2n1CCCCC2)[C@@H]1CCSC1 ZINC000753949763 579892041 /nfs/dbraw/zinc/89/20/41/579892041.db2.gz MMXHEBOIWGABKL-OLZOCXBDSA-N 1 2 333.461 1.618 20 30 EDEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nnc2n1CCCCC2)[C@@H]1CCSC1 ZINC000753949763 579892042 /nfs/dbraw/zinc/89/20/42/579892042.db2.gz MMXHEBOIWGABKL-OLZOCXBDSA-N 1 2 333.461 1.618 20 30 EDEDLO N#Cc1cnc2c(F)ccc(F)c2c1N1CCC[N@@H+](CC(N)=O)CC1 ZINC000757845082 579972178 /nfs/dbraw/zinc/97/21/78/579972178.db2.gz ZRYCSKNRCKBRFO-UHFFFAOYSA-N 1 2 345.353 1.382 20 30 EDEDLO N#Cc1cnc2c(F)ccc(F)c2c1N1CCC[N@H+](CC(N)=O)CC1 ZINC000757845082 579972179 /nfs/dbraw/zinc/97/21/79/579972179.db2.gz ZRYCSKNRCKBRFO-UHFFFAOYSA-N 1 2 345.353 1.382 20 30 EDEDLO C#CCNC(=S)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000758188770 579976398 /nfs/dbraw/zinc/97/63/98/579976398.db2.gz ACHODRHCHSNIPA-OAHLLOKOSA-N 1 2 344.440 1.624 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000758245503 579978267 /nfs/dbraw/zinc/97/82/67/579978267.db2.gz HLSNDISGQBJPHN-IQMFZBJNSA-N 1 2 345.509 1.480 20 30 EDEDLO N#CCOc1ccc(CC(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767551232 580192614 /nfs/dbraw/zinc/19/26/14/580192614.db2.gz ZRFHEZYHFFMRJO-CALCHBBNSA-N 1 2 330.384 1.538 20 30 EDEDLO N#CCOc1ccc(CC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767551232 580192615 /nfs/dbraw/zinc/19/26/15/580192615.db2.gz ZRFHEZYHFFMRJO-CALCHBBNSA-N 1 2 330.384 1.538 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000767899424 580202973 /nfs/dbraw/zinc/20/29/73/580202973.db2.gz LLNPMUDXYVQUOJ-QHCPKHFHSA-N 1 2 333.501 1.984 20 30 EDEDLO C[S@](=O)CCN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000767899424 580202974 /nfs/dbraw/zinc/20/29/74/580202974.db2.gz LLNPMUDXYVQUOJ-QHCPKHFHSA-N 1 2 333.501 1.984 20 30 EDEDLO C[C@H]1COCCC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000772828223 580321545 /nfs/dbraw/zinc/32/15/45/580321545.db2.gz ZUFANLVPNQYZFQ-SCLBCKFNSA-N 1 2 342.399 1.394 20 30 EDEDLO C[C@H]1COCCC[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000772828223 580321546 /nfs/dbraw/zinc/32/15/46/580321546.db2.gz ZUFANLVPNQYZFQ-SCLBCKFNSA-N 1 2 342.399 1.394 20 30 EDEDLO C#C[C@@H](NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCCO1 ZINC000773787695 580346161 /nfs/dbraw/zinc/34/61/61/580346161.db2.gz JEPHQRLMEOSRIM-HZPDHXFCSA-N 1 2 338.367 1.108 20 30 EDEDLO COc1ccccc1NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773979743 580350879 /nfs/dbraw/zinc/35/08/79/580350879.db2.gz KEVBCXYFNUIDLB-STQMWFEESA-N 1 2 347.440 1.780 20 30 EDEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000780315659 580518284 /nfs/dbraw/zinc/51/82/84/580518284.db2.gz YFGCZLFKSQQIHL-MRXNPFEDSA-N 1 2 332.379 1.460 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782616338 580580499 /nfs/dbraw/zinc/58/04/99/580580499.db2.gz ITBJRKXRXRCRBD-VGTOOOLASA-N 1 2 331.441 1.750 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782616338 580580500 /nfs/dbraw/zinc/58/05/00/580580500.db2.gz ITBJRKXRXRCRBD-VGTOOOLASA-N 1 2 331.441 1.750 20 30 EDEDLO CC(C)(C#N)CC(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000785076618 580635120 /nfs/dbraw/zinc/63/51/20/580635120.db2.gz COWGLBGAAJVOOV-UHFFFAOYSA-N 1 2 333.388 1.407 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000787170702 580688670 /nfs/dbraw/zinc/68/86/70/580688670.db2.gz AGWHQNKAKXNPKJ-CQSZACIVSA-N 1 2 338.411 1.489 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000787170702 580688671 /nfs/dbraw/zinc/68/86/71/580688671.db2.gz AGWHQNKAKXNPKJ-CQSZACIVSA-N 1 2 338.411 1.489 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000787268885 580691228 /nfs/dbraw/zinc/69/12/28/580691228.db2.gz IZDCEKHRGLGNKQ-QWHCGFSZSA-N 1 2 335.477 1.046 20 30 EDEDLO COC(=O)[C@@H]1[C@@H](C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1(F)F ZINC000787769152 580704818 /nfs/dbraw/zinc/70/48/18/580704818.db2.gz AGENFWJCIDBGJL-PMPSAXMXSA-N 1 2 349.381 1.923 20 30 EDEDLO Cc1nn(C)c(N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)c1C#N ZINC000788475119 580722417 /nfs/dbraw/zinc/72/24/17/580722417.db2.gz BECKOYMBOHYXTI-UHFFFAOYSA-N 1 2 349.398 1.210 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(N(C)C)nc2)n1 ZINC000789760707 580752884 /nfs/dbraw/zinc/75/28/84/580752884.db2.gz DLWJOEWBHOLIRN-UHFFFAOYSA-N 1 2 327.432 1.626 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(N(C)C)nc2)n1 ZINC000789760707 580752885 /nfs/dbraw/zinc/75/28/85/580752885.db2.gz DLWJOEWBHOLIRN-UHFFFAOYSA-N 1 2 327.432 1.626 20 30 EDEDLO CCOC(=O)[C@@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793468883 580844784 /nfs/dbraw/zinc/84/47/84/580844784.db2.gz NKJAZSRTXWLOKX-OAHLLOKOSA-N 1 2 343.427 1.831 20 30 EDEDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793468883 580844785 /nfs/dbraw/zinc/84/47/85/580844785.db2.gz NKJAZSRTXWLOKX-OAHLLOKOSA-N 1 2 343.427 1.831 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCN(C)C(=O)OCc2ccccc2)CC1 ZINC000793493992 580845821 /nfs/dbraw/zinc/84/58/21/580845821.db2.gz QNOMRNJSHGZDMY-UHFFFAOYSA-N 1 2 343.427 1.423 20 30 EDEDLO C[C@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C[C@]2(CCOC2)O1 ZINC000793514913 580846746 /nfs/dbraw/zinc/84/67/46/580846746.db2.gz HXKHOXCFFNFGNY-LIRRHRJNSA-N 1 2 343.427 1.436 20 30 EDEDLO C[C@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C[C@]2(CCOC2)O1 ZINC000793514913 580846747 /nfs/dbraw/zinc/84/67/47/580846747.db2.gz HXKHOXCFFNFGNY-LIRRHRJNSA-N 1 2 343.427 1.436 20 30 EDEDLO C=C(Br)C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000796127519 580946005 /nfs/dbraw/zinc/94/60/05/580946005.db2.gz XTYQBCAGELZTIK-NSHDSACASA-N 1 2 325.272 1.498 20 30 EDEDLO C=C(Br)C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000796127519 580946006 /nfs/dbraw/zinc/94/60/06/580946006.db2.gz XTYQBCAGELZTIK-NSHDSACASA-N 1 2 325.272 1.498 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000796428185 580953656 /nfs/dbraw/zinc/95/36/56/580953656.db2.gz HWRANWIQPYLYLX-UHFFFAOYSA-N 1 2 347.216 1.488 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2CC[C@@](C)(c3ccccc3)C2=O)C1=O ZINC000799143415 581018669 /nfs/dbraw/zinc/01/86/69/581018669.db2.gz JVDXHRWIEARUFK-PXNSSMCTSA-N 1 2 341.455 1.853 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2CC[C@@](C)(c3ccccc3)C2=O)C1=O ZINC000799143415 581018670 /nfs/dbraw/zinc/01/86/70/581018670.db2.gz JVDXHRWIEARUFK-PXNSSMCTSA-N 1 2 341.455 1.853 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc3c2CCC(C)(C)O3)CC1 ZINC000799589345 581032189 /nfs/dbraw/zinc/03/21/89/581032189.db2.gz ZLDDQMXBJYCPQE-UHFFFAOYSA-N 1 2 342.439 1.946 20 30 EDEDLO C#CCSCCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799776294 581036507 /nfs/dbraw/zinc/03/65/07/581036507.db2.gz POYGAWUWGVXPFS-UHFFFAOYSA-N 1 2 335.454 1.576 20 30 EDEDLO C[C@H]1C[N@H+](CCOC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCO1 ZINC000800224410 581048248 /nfs/dbraw/zinc/04/82/48/581048248.db2.gz KIUFUGLJZZZGKC-AWEZNQCLSA-N 1 2 340.383 1.621 20 30 EDEDLO C[C@H]1C[N@@H+](CCOC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCO1 ZINC000800224410 581048249 /nfs/dbraw/zinc/04/82/49/581048249.db2.gz KIUFUGLJZZZGKC-AWEZNQCLSA-N 1 2 340.383 1.621 20 30 EDEDLO COC(=O)c1cccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)n1 ZINC000801553486 581079542 /nfs/dbraw/zinc/07/95/42/581079542.db2.gz XBILEARKPOYYPS-UHFFFAOYSA-N 1 2 337.383 1.457 20 30 EDEDLO COc1cccc(C(=O)N2CC[NH+](CCO[C@@H](C)C#N)CC2)c1OC ZINC000801916117 581087950 /nfs/dbraw/zinc/08/79/50/581087950.db2.gz RRXLAPMHWWKBHO-AWEZNQCLSA-N 1 2 347.415 1.390 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Nc2nccn3c[nH+]cc23)C1 ZINC000893170447 590694978 /nfs/dbraw/zinc/69/49/78/590694978.db2.gz JWMYSBMOQKWFDR-NWDGAFQWSA-N 1 2 328.376 1.900 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)Cc2ccccc2CC#N)C[N@@H+]1C ZINC000893567880 590967874 /nfs/dbraw/zinc/96/78/74/590967874.db2.gz FBUCGGIXHMHQDQ-YJBOKZPZSA-N 1 2 330.384 1.474 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)Cc2ccccc2CC#N)C[N@H+]1C ZINC000893567880 590967877 /nfs/dbraw/zinc/96/78/77/590967877.db2.gz FBUCGGIXHMHQDQ-YJBOKZPZSA-N 1 2 330.384 1.474 20 30 EDEDLO N#CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccn1 ZINC000892472063 591039408 /nfs/dbraw/zinc/03/94/08/591039408.db2.gz YUZRQDAWKPOEGH-QGZVFWFLSA-N 1 2 336.395 1.839 20 30 EDEDLO N#CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccn1 ZINC000892472063 591039411 /nfs/dbraw/zinc/03/94/11/591039411.db2.gz YUZRQDAWKPOEGH-QGZVFWFLSA-N 1 2 336.395 1.839 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000892656644 591113419 /nfs/dbraw/zinc/11/34/19/591113419.db2.gz DXRJWOAXQJIBQN-OAQYLSRUSA-N 1 2 328.419 1.028 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000891606863 591147227 /nfs/dbraw/zinc/14/72/27/591147227.db2.gz PNEIMVQYGSKPEK-CQSZACIVSA-N 1 2 344.802 1.364 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000891606863 591147229 /nfs/dbraw/zinc/14/72/29/591147229.db2.gz PNEIMVQYGSKPEK-CQSZACIVSA-N 1 2 344.802 1.364 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000891747650 591209036 /nfs/dbraw/zinc/20/90/36/591209036.db2.gz KAKCVPQGZYULCQ-CYBMUJFWSA-N 1 2 339.413 1.032 20 30 EDEDLO C#CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000891747650 591209037 /nfs/dbraw/zinc/20/90/37/591209037.db2.gz KAKCVPQGZYULCQ-CYBMUJFWSA-N 1 2 339.413 1.032 20 30 EDEDLO C=CC[N@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891769419 591218289 /nfs/dbraw/zinc/21/82/89/591218289.db2.gz LBDDTDOTZXHQFA-HZSPNIEDSA-N 1 2 333.425 1.295 20 30 EDEDLO C=CC[N@@H+]([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891769419 591218290 /nfs/dbraw/zinc/21/82/90/591218290.db2.gz LBDDTDOTZXHQFA-HZSPNIEDSA-N 1 2 333.425 1.295 20 30 EDEDLO C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896545257 591507234 /nfs/dbraw/zinc/50/72/34/591507234.db2.gz LHWZXIQWNWBVFT-PBHICJAKSA-N 1 2 326.444 1.340 20 30 EDEDLO C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896545257 591507237 /nfs/dbraw/zinc/50/72/37/591507237.db2.gz LHWZXIQWNWBVFT-PBHICJAKSA-N 1 2 326.444 1.340 20 30 EDEDLO C[C@H]1CN(c2ccccc2C[NH+]2CCN(C(=O)CC#N)CC2)CCO1 ZINC000895066178 591560258 /nfs/dbraw/zinc/56/02/58/591560258.db2.gz OZYUSRKVYICKOX-INIZCTEOSA-N 1 2 342.443 1.470 20 30 EDEDLO COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000895066033 591560304 /nfs/dbraw/zinc/56/03/04/591560304.db2.gz NEAOTWXYGCUPPP-AWEZNQCLSA-N 1 2 345.399 1.185 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](Cc2c(I)cnn2C)C1 ZINC000895182090 591645190 /nfs/dbraw/zinc/64/51/90/591645190.db2.gz AEEUSHWFEFPTEN-SNVBAGLBSA-N 1 2 329.185 1.870 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](Cc2c(I)cnn2C)C1 ZINC000895182090 591645194 /nfs/dbraw/zinc/64/51/94/591645194.db2.gz AEEUSHWFEFPTEN-SNVBAGLBSA-N 1 2 329.185 1.870 20 30 EDEDLO N#C[C@@]12C[N@H+](Cc3c(O)ccc4ccncc43)C[C@@H]1CS(=O)(=O)C2 ZINC000902526387 592010887 /nfs/dbraw/zinc/01/08/87/592010887.db2.gz DYHFDDCXOHLXOG-DYVFJYSZSA-N 1 2 343.408 1.311 20 30 EDEDLO N#C[C@@]12C[N@@H+](Cc3c(O)ccc4ccncc43)C[C@@H]1CS(=O)(=O)C2 ZINC000902526387 592010888 /nfs/dbraw/zinc/01/08/88/592010888.db2.gz DYHFDDCXOHLXOG-DYVFJYSZSA-N 1 2 343.408 1.311 20 30 EDEDLO COCC(COC)O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000902702254 592051665 /nfs/dbraw/zinc/05/16/65/592051665.db2.gz SBAUYSNNXMPMNB-UHFFFAOYSA-N 1 2 345.399 1.959 20 30 EDEDLO N#Cc1sc2ccccc2c1S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000903490609 592184101 /nfs/dbraw/zinc/18/41/01/592184101.db2.gz ZSCCLMKCXCBBLP-UHFFFAOYSA-N 1 2 331.369 1.645 20 30 EDEDLO C/C(=C/C(=O)Nc1ccc(F)cc1OCC#N)C[NH+]1CCOCC1 ZINC000901059909 592219740 /nfs/dbraw/zinc/21/97/40/592219740.db2.gz LNVSNWMLGKIFMN-RAXLEYEMSA-N 1 2 333.363 1.945 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000908009352 592260915 /nfs/dbraw/zinc/26/09/15/592260915.db2.gz HAARPEXDJFNCIR-BBRMVZONSA-N 1 2 334.420 1.653 20 30 EDEDLO COCOc1ccc(C#N)cc1-c1ccc([C@H]2[NH2+]CCNC2=O)cc1 ZINC000904885106 592336580 /nfs/dbraw/zinc/33/65/80/592336580.db2.gz KNCDIKCFWOVEEA-GOSISDBHSA-N 1 2 337.379 1.968 20 30 EDEDLO CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C[C@H]2CC[N@@H+]2C)C1=O ZINC000901503604 592378195 /nfs/dbraw/zinc/37/81/95/592378195.db2.gz UECAYLGLCOGBIB-KGLIPLIRSA-N 1 2 346.456 1.458 20 30 EDEDLO CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000901503604 592378200 /nfs/dbraw/zinc/37/82/00/592378200.db2.gz UECAYLGLCOGBIB-KGLIPLIRSA-N 1 2 346.456 1.458 20 30 EDEDLO CNC(=O)CC1SC(=Nc2ccccc2)N(C[C@H]2CC[N@@H+]2C)C1=O ZINC000901503604 592378205 /nfs/dbraw/zinc/37/82/05/592378205.db2.gz UECAYLGLCOGBIB-KGLIPLIRSA-N 1 2 346.456 1.458 20 30 EDEDLO CNC(=O)CC1SC(=Nc2ccccc2)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000901503604 592378211 /nfs/dbraw/zinc/37/82/11/592378211.db2.gz UECAYLGLCOGBIB-KGLIPLIRSA-N 1 2 346.456 1.458 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000907054313 592497849 /nfs/dbraw/zinc/49/78/49/592497849.db2.gz FHWGYVKBQUUGHI-MSOLQXFVSA-N 1 2 348.468 1.590 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)c2ccc(C#N)cn2)CC1(C)C ZINC000907220388 592555754 /nfs/dbraw/zinc/55/57/54/592555754.db2.gz DHURYEHJQRLDRK-CYBMUJFWSA-N 1 2 331.401 1.459 20 30 EDEDLO C=CC[C@@H]([NH2+][C@H](Cc1ccccc1)CN1CCOCC1)C(=O)OC ZINC000905759125 592638310 /nfs/dbraw/zinc/63/83/10/592638310.db2.gz IWRADUOSWBWKTI-QZTJIDSGSA-N 1 2 332.444 1.637 20 30 EDEDLO C=CC[C@@H](N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)C(=O)OC ZINC000905759125 592638311 /nfs/dbraw/zinc/63/83/11/592638311.db2.gz IWRADUOSWBWKTI-QZTJIDSGSA-N 1 2 332.444 1.637 20 30 EDEDLO C#CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000907426418 592644276 /nfs/dbraw/zinc/64/42/76/592644276.db2.gz YXQPTQIEUHULJU-CYBMUJFWSA-N 1 2 348.365 1.676 20 30 EDEDLO C#CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000907426418 592644277 /nfs/dbraw/zinc/64/42/77/592644277.db2.gz YXQPTQIEUHULJU-CYBMUJFWSA-N 1 2 348.365 1.676 20 30 EDEDLO C=CCCCC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000907585184 592722143 /nfs/dbraw/zinc/72/21/43/592722143.db2.gz VTZZAVNQESYOFX-QGZVFWFLSA-N 1 2 326.400 1.999 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)c(C#N)c(C)c2)CC1 ZINC000906081866 592737883 /nfs/dbraw/zinc/73/78/83/592737883.db2.gz JBPQRJMGSHQKMM-UHFFFAOYSA-N 1 2 342.443 1.459 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)c(C#N)c(C)c2)CC1 ZINC000906081866 592737885 /nfs/dbraw/zinc/73/78/85/592737885.db2.gz JBPQRJMGSHQKMM-UHFFFAOYSA-N 1 2 342.443 1.459 20 30 EDEDLO COCCn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1CCC[C@H](C#N)C1 ZINC000909167601 592759167 /nfs/dbraw/zinc/75/91/67/592759167.db2.gz SDLWAQNRVZCJMD-KFWWJZLASA-N 1 2 348.451 1.056 20 30 EDEDLO COCCn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1CCC[C@H](C#N)C1 ZINC000909167601 592759169 /nfs/dbraw/zinc/75/91/69/592759169.db2.gz SDLWAQNRVZCJMD-KFWWJZLASA-N 1 2 348.451 1.056 20 30 EDEDLO C=C(C)Cn1c(-c2cnsn2)nnc1N1CCn2cc[nH+]c2C1 ZINC000909319530 592800473 /nfs/dbraw/zinc/80/04/73/592800473.db2.gz SCNKUAFAHSPIBQ-UHFFFAOYSA-N 1 2 328.405 1.589 20 30 EDEDLO C[C@@H](NC(=O)Nc1nc(Cl)c(C#N)s1)[C@H](C)[NH+]1CCOCC1 ZINC000888411110 593053268 /nfs/dbraw/zinc/05/32/68/593053268.db2.gz MWYBWGZZZQATGW-BDAKNGLRSA-N 1 2 343.840 1.899 20 30 EDEDLO CCCCCC[C@H](C)N[NH+]=Cc1c(=O)n(C)c(=O)n(C)c1N(C)C ZINC000807974462 593213085 /nfs/dbraw/zinc/21/30/85/593213085.db2.gz IHSBYEJEQQXRAF-ZDUSSCGKSA-N 1 2 337.468 1.432 20 30 EDEDLO Nc1nc(Cl)c(C=[NH+]N[C@H]2CCSC2)c(N2CCCC2)n1 ZINC000808001381 593214811 /nfs/dbraw/zinc/21/48/11/593214811.db2.gz ASLZMLQJLUYYNW-VIFPVBQESA-N 1 2 326.857 1.741 20 30 EDEDLO C[NH+]1CCN(N=C2C(=O)Nc3cc(O)c(Br)cc32)CC1 ZINC000841602625 593245220 /nfs/dbraw/zinc/24/52/20/593245220.db2.gz AUSVJHDBNDFKQT-UHFFFAOYSA-N 1 2 339.193 1.058 20 30 EDEDLO COc1cc[nH+]cc1COC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000805464001 593453163 /nfs/dbraw/zinc/45/31/63/593453163.db2.gz QRWIMOPAMLHKHO-NXVVXOECSA-N 1 2 331.328 1.050 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)OC(C)(C)C)CC1 ZINC000814107119 593573343 /nfs/dbraw/zinc/57/33/43/593573343.db2.gz WBYXIVWVFSBXST-KFWWJZLASA-N 1 2 333.432 1.162 20 30 EDEDLO COc1ccc(CNC(=O)NCc2c[nH+]ccc2OC)cc1C#N ZINC000814313954 593582186 /nfs/dbraw/zinc/58/21/86/593582186.db2.gz RSGAYPCGSWXUHD-UHFFFAOYSA-N 1 2 326.356 1.970 20 30 EDEDLO CC(=[NH+]NC[C@H](C)O)c1c[nH]c2ccc(Br)cc2c1=O ZINC000814959704 593607919 /nfs/dbraw/zinc/60/79/19/593607919.db2.gz LAYBYCXHLOHRBK-QMMMGPOBSA-N 1 2 338.205 1.985 20 30 EDEDLO N#CC1(CC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000815414335 593632157 /nfs/dbraw/zinc/63/21/57/593632157.db2.gz ZWLDDZAAAPINPG-UHFFFAOYSA-N 1 2 347.440 1.629 20 30 EDEDLO Cc1cc(NCCNS(=O)(=O)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000819907657 593776106 /nfs/dbraw/zinc/77/61/06/593776106.db2.gz YQTYRPMLNFYLAH-UHFFFAOYSA-N 1 2 330.413 1.215 20 30 EDEDLO C#CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)C1CCCC1 ZINC000823844561 593871113 /nfs/dbraw/zinc/87/11/13/593871113.db2.gz AYTWKSFLVDCQMV-UHFFFAOYSA-N 1 2 342.403 1.893 20 30 EDEDLO C#CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)C1CCCC1 ZINC000823844561 593871114 /nfs/dbraw/zinc/87/11/14/593871114.db2.gz AYTWKSFLVDCQMV-UHFFFAOYSA-N 1 2 342.403 1.893 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)c2[nH+]ccc(C)c2-c2nn[nH]n2)c1 ZINC000823862178 593874745 /nfs/dbraw/zinc/87/47/45/593874745.db2.gz ZRFCFJUAIJGMFW-UHFFFAOYSA-N 1 2 347.382 1.626 20 30 EDEDLO C=CC[N@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000823903666 593883836 /nfs/dbraw/zinc/88/38/36/593883836.db2.gz GWGBKBPEHJLZPU-UHFFFAOYSA-N 1 2 333.417 1.291 20 30 EDEDLO C=CC[N@@H+](CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000823903666 593883838 /nfs/dbraw/zinc/88/38/38/593883838.db2.gz GWGBKBPEHJLZPU-UHFFFAOYSA-N 1 2 333.417 1.291 20 30 EDEDLO C[C@]1(C#N)CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000824780027 594073727 /nfs/dbraw/zinc/07/37/27/594073727.db2.gz ZZRBXDHDQOPDNL-OAHLLOKOSA-N 1 2 345.432 1.882 20 30 EDEDLO C[C@]1(C#N)CCC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000824780027 594073729 /nfs/dbraw/zinc/07/37/29/594073729.db2.gz ZZRBXDHDQOPDNL-OAHLLOKOSA-N 1 2 345.432 1.882 20 30 EDEDLO N#Cc1cc(NC(=O)Cc2[nH]cc[nH+]2)ccc1N1CCC(O)CC1 ZINC000829894441 594285375 /nfs/dbraw/zinc/28/53/75/594285375.db2.gz RHQQYINOBSKNNK-UHFFFAOYSA-N 1 2 325.372 1.424 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(OC3CC3)cc2)CC1 ZINC000830195017 594352839 /nfs/dbraw/zinc/35/28/39/594352839.db2.gz IDNJVHSNCTXYFH-UHFFFAOYSA-N 1 2 334.441 1.557 20 30 EDEDLO N#Cc1cnccc1C[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000828263434 594377738 /nfs/dbraw/zinc/37/77/38/594377738.db2.gz UDHNKINKSRLCBB-MRXNPFEDSA-N 1 2 333.395 1.986 20 30 EDEDLO N#Cc1cnccc1C[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000828263434 594377740 /nfs/dbraw/zinc/37/77/40/594377740.db2.gz UDHNKINKSRLCBB-MRXNPFEDSA-N 1 2 333.395 1.986 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000828597167 594460017 /nfs/dbraw/zinc/46/00/17/594460017.db2.gz PYTUZLFMLMHJQF-HNNXBMFYSA-N 1 2 349.431 1.919 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826597498 594536128 /nfs/dbraw/zinc/53/61/28/594536128.db2.gz LNKIESPBKVUNLR-IEBWSBKVSA-N 1 2 332.444 1.639 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826597498 594536129 /nfs/dbraw/zinc/53/61/29/594536129.db2.gz LNKIESPBKVUNLR-IEBWSBKVSA-N 1 2 332.444 1.639 20 30 EDEDLO CNc1nc(N2CCC(C#N)(C(=O)OC)CC2)[nH+]c2ccccc21 ZINC000828974778 594540996 /nfs/dbraw/zinc/54/09/96/594540996.db2.gz KDFVPSKFFFFHKO-UHFFFAOYSA-N 1 2 325.372 1.955 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000831687562 594692574 /nfs/dbraw/zinc/69/25/74/594692574.db2.gz SDBVOXLUJRICTQ-KFWWJZLASA-N 1 2 335.448 1.849 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)NCCC2CCCCC2)CC1 ZINC000831690782 594692917 /nfs/dbraw/zinc/69/29/17/594692917.db2.gz CPRGCJXFVLSLRZ-UHFFFAOYSA-N 1 2 335.448 1.852 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=S)NCC[NH+]1CCOCC1 ZINC000840864369 594822118 /nfs/dbraw/zinc/82/21/18/594822118.db2.gz ARKKPKIPVDEKIG-KRWDZBQOSA-N 1 2 333.501 1.970 20 30 EDEDLO Cc1cccc2c1C(=NNC(=S)NCC[NH+]1CCOCC1)CC2 ZINC000841606408 594928546 /nfs/dbraw/zinc/92/85/46/594928546.db2.gz DSNWFGFTGVUGRR-UHFFFAOYSA-N 1 2 332.473 1.442 20 30 EDEDLO COC(=O)c1ccc(N=NCC(C)(C)[NH+]2CCOCC2)c(OC)c1 ZINC000841632994 594930626 /nfs/dbraw/zinc/93/06/26/594930626.db2.gz QFIUMJPVRIUCPE-UHFFFAOYSA-N 1 2 335.404 1.990 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1 ZINC000836350018 594953821 /nfs/dbraw/zinc/95/38/21/594953821.db2.gz NKQIPKMKMMAIML-HNNXBMFYSA-N 1 2 331.416 1.219 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC000836350018 594953823 /nfs/dbraw/zinc/95/38/23/594953823.db2.gz NKQIPKMKMMAIML-HNNXBMFYSA-N 1 2 331.416 1.219 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000843246695 595050041 /nfs/dbraw/zinc/05/00/41/595050041.db2.gz VENBLKPPCDTJFW-CABCVRRESA-N 1 2 328.416 1.725 20 30 EDEDLO O=C(C#CC1CC1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000837394226 595099610 /nfs/dbraw/zinc/09/96/10/595099610.db2.gz CXBDMHYJWLSQRR-UHFFFAOYSA-N 1 2 327.428 1.546 20 30 EDEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000846121259 595148770 /nfs/dbraw/zinc/14/87/70/595148770.db2.gz AZXWUNGMXYSCIL-QGZVFWFLSA-N 1 2 337.423 1.381 20 30 EDEDLO Cn1c(CC#N)nn(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1=S ZINC000842628504 595149723 /nfs/dbraw/zinc/14/97/23/595149723.db2.gz WRFPWUHVDXSBCP-INIZCTEOSA-N 1 2 331.445 1.814 20 30 EDEDLO Cn1c(CC#N)nn(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c1=S ZINC000842628504 595149724 /nfs/dbraw/zinc/14/97/24/595149724.db2.gz WRFPWUHVDXSBCP-INIZCTEOSA-N 1 2 331.445 1.814 20 30 EDEDLO N#Cc1ccc(OCCCO[NH+]=C(N)COC[C@@H]2CCOC2)cc1 ZINC000842657959 595161508 /nfs/dbraw/zinc/16/15/08/595161508.db2.gz MQJWFRXRPKRFHJ-OAHLLOKOSA-N 1 2 333.388 1.879 20 30 EDEDLO C#C[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000843967606 595227831 /nfs/dbraw/zinc/22/78/31/595227831.db2.gz ODDKCROOLZURPN-GOSISDBHSA-N 1 2 334.423 1.694 20 30 EDEDLO COc1cccc(C)c1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000834920447 595238757 /nfs/dbraw/zinc/23/87/57/595238757.db2.gz QCPDKOQGLLRQNK-UHFFFAOYSA-N 1 2 336.461 1.134 20 30 EDEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C1 ZINC000844407694 595339167 /nfs/dbraw/zinc/33/91/67/595339167.db2.gz ZXMIJMUYENFXSS-HZSPNIEDSA-N 1 2 342.436 1.576 20 30 EDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](OCC)C1 ZINC000844407694 595339169 /nfs/dbraw/zinc/33/91/69/595339169.db2.gz ZXMIJMUYENFXSS-HZSPNIEDSA-N 1 2 342.436 1.576 20 30 EDEDLO N#Cc1c(=O)[nH]cc2c1CCCC2=NNCCC[NH+]1CCOCC1 ZINC000844595009 595362895 /nfs/dbraw/zinc/36/28/95/595362895.db2.gz VIEGWFAVRYXRDW-UHFFFAOYSA-N 1 2 329.404 1.011 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1 ZINC000847282135 595387051 /nfs/dbraw/zinc/38/70/51/595387051.db2.gz RQCRYQCZPMLXJQ-HZPDHXFCSA-N 1 2 342.443 1.862 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000848493282 595395410 /nfs/dbraw/zinc/39/54/10/595395410.db2.gz LQVOEUIBKLGVMU-AUUYWEPGSA-N 1 2 336.395 1.628 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000848493282 595395412 /nfs/dbraw/zinc/39/54/12/595395412.db2.gz LQVOEUIBKLGVMU-AUUYWEPGSA-N 1 2 336.395 1.628 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C(=O)OC(C)(C)C)nc2)CC1 ZINC000845361191 595484048 /nfs/dbraw/zinc/48/40/48/595484048.db2.gz JIUZBNANWDLYHM-UHFFFAOYSA-N 1 2 343.427 1.818 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)CC1 ZINC000112920505 595569266 /nfs/dbraw/zinc/56/92/66/595569266.db2.gz VMMAJGBDPUHRLK-WMLDXEAASA-N 1 2 325.412 1.672 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1cccc(C#N)c1)C(C)(C)CO ZINC000855115627 595602002 /nfs/dbraw/zinc/60/20/02/595602002.db2.gz XRWOJWTTWWERRM-MRXNPFEDSA-N 1 2 342.399 1.547 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CC=C(Cl)Cl)c1=O ZINC000849897771 595689390 /nfs/dbraw/zinc/68/93/90/595689390.db2.gz AWLBGZYNWYLXHA-UHFFFAOYSA-N 1 2 328.199 1.871 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)n(C3CCOCC3)n2)CC1 ZINC000859002948 595945399 /nfs/dbraw/zinc/94/53/99/595945399.db2.gz CRFOGJFCFKVISW-UHFFFAOYSA-N 1 2 330.432 1.324 20 30 EDEDLO C=C(Br)C[N@@H+]1CCC[C@@](O)(Cc2nc(CC)no2)C1 ZINC000856670606 596044905 /nfs/dbraw/zinc/04/49/05/596044905.db2.gz FXBLMHROGSJBTN-CYBMUJFWSA-N 1 2 330.226 1.910 20 30 EDEDLO C=C(Br)C[N@H+]1CCC[C@@](O)(Cc2nc(CC)no2)C1 ZINC000856670606 596044902 /nfs/dbraw/zinc/04/49/02/596044902.db2.gz FXBLMHROGSJBTN-CYBMUJFWSA-N 1 2 330.226 1.910 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000852326734 596126746 /nfs/dbraw/zinc/12/67/46/596126746.db2.gz OTQPEEDUNJIYPY-GOSISDBHSA-N 1 2 328.416 1.188 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000852326734 596126747 /nfs/dbraw/zinc/12/67/47/596126747.db2.gz OTQPEEDUNJIYPY-GOSISDBHSA-N 1 2 328.416 1.188 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](N4CCOC4=O)C3)o2)cc1 ZINC000852434553 596160155 /nfs/dbraw/zinc/16/01/55/596160155.db2.gz ZKFJSUISXZGRFP-AWEZNQCLSA-N 1 2 339.355 1.635 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](N4CCOC4=O)C3)o2)cc1 ZINC000852434553 596160160 /nfs/dbraw/zinc/16/01/60/596160160.db2.gz ZKFJSUISXZGRFP-AWEZNQCLSA-N 1 2 339.355 1.635 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852435633 596161366 /nfs/dbraw/zinc/16/13/66/596161366.db2.gz RGOUNQSNLBEFRL-WFASDCNBSA-N 1 2 328.372 1.412 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852435633 596161367 /nfs/dbraw/zinc/16/13/67/596161367.db2.gz RGOUNQSNLBEFRL-WFASDCNBSA-N 1 2 328.372 1.412 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000852493624 596181144 /nfs/dbraw/zinc/18/11/44/596181144.db2.gz ATKUPPDDRUUNFF-VYDXJSESSA-N 1 2 327.384 1.373 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000852493624 596181145 /nfs/dbraw/zinc/18/11/45/596181145.db2.gz ATKUPPDDRUUNFF-VYDXJSESSA-N 1 2 327.384 1.373 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000862192338 596268177 /nfs/dbraw/zinc/26/81/77/596268177.db2.gz SJUSJRIQSHKCKZ-CYBMUJFWSA-N 1 2 342.399 1.365 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000862193237 596268803 /nfs/dbraw/zinc/26/88/03/596268803.db2.gz NPIIPEJSVMTAIC-CYBMUJFWSA-N 1 2 328.372 1.126 20 30 EDEDLO CO[C@H]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)Cc3ccc[nH+]c3N2C1 ZINC000870539171 596276501 /nfs/dbraw/zinc/27/65/01/596276501.db2.gz XSEPVLATMIETHX-GJZGRUSLSA-N 1 2 337.383 1.531 20 30 EDEDLO COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000868714624 596281713 /nfs/dbraw/zinc/28/17/13/596281713.db2.gz OFWIBWGRRITMDC-GFCCVEGCSA-N 1 2 343.374 1.269 20 30 EDEDLO COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000868714624 596281716 /nfs/dbraw/zinc/28/17/16/596281716.db2.gz OFWIBWGRRITMDC-GFCCVEGCSA-N 1 2 343.374 1.269 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)cn1 ZINC000862421415 596325630 /nfs/dbraw/zinc/32/56/30/596325630.db2.gz SMKQMEOBZUJUQW-UHFFFAOYSA-N 1 2 349.442 1.666 20 30 EDEDLO CN1CC[NH+](Cc2cccc(NC(=O)[C@]3(C#N)CCCOC3)c2)CC1 ZINC000865000023 596439629 /nfs/dbraw/zinc/43/96/29/596439629.db2.gz FJODDGJQPADUDA-IBGZPJMESA-N 1 2 342.443 1.693 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000869190121 596440600 /nfs/dbraw/zinc/44/06/00/596440600.db2.gz YLUIBMFHXYXLIN-NVXWUHKLSA-N 1 2 335.411 1.958 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1Cc2ccccc2O1 ZINC000865069721 596463265 /nfs/dbraw/zinc/46/32/65/596463265.db2.gz KHGCRDXKPNLPHZ-QGZVFWFLSA-N 1 2 343.427 1.455 20 30 EDEDLO N#CCc1ccccc1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000869348938 596496612 /nfs/dbraw/zinc/49/66/12/596496612.db2.gz LWJLBESZNCQOCN-DLBZAZTESA-N 1 2 348.406 1.743 20 30 EDEDLO C#CC[C@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)C1=O ZINC000865325279 596540050 /nfs/dbraw/zinc/54/00/50/596540050.db2.gz YMWHHLZRTGGHNS-DLBZAZTESA-N 1 2 341.411 1.140 20 30 EDEDLO C#CC[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)C1=O ZINC000865325279 596540052 /nfs/dbraw/zinc/54/00/52/596540052.db2.gz YMWHHLZRTGGHNS-DLBZAZTESA-N 1 2 341.411 1.140 20 30 EDEDLO C#CC[C@@H](COC)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000863391115 596569702 /nfs/dbraw/zinc/56/97/02/596569702.db2.gz PUCZVXRFVBBBOB-GXFFZTMASA-N 1 2 343.196 1.743 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CCN(C)c3[nH+]cccc3C2)cc1C#N ZINC000867899593 596608466 /nfs/dbraw/zinc/60/84/66/596608466.db2.gz FBNJOQBQVQHVKR-UHFFFAOYSA-N 1 2 343.412 1.297 20 30 EDEDLO C#CCn1ccc(CN(CCOC)c2cc(NCCC)[nH+]cn2)n1 ZINC000865736968 596664436 /nfs/dbraw/zinc/66/44/36/596664436.db2.gz WSUNMTQWJKGDGJ-UHFFFAOYSA-N 1 2 328.420 1.781 20 30 EDEDLO C#CCn1ccc(CN(CCOC)c2cc(NCCC)nc[nH+]2)n1 ZINC000865736968 596664439 /nfs/dbraw/zinc/66/44/39/596664439.db2.gz WSUNMTQWJKGDGJ-UHFFFAOYSA-N 1 2 328.420 1.781 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000863788222 596685425 /nfs/dbraw/zinc/68/54/25/596685425.db2.gz KXGZWHUUHQQVKV-GOSISDBHSA-N 1 2 330.428 1.677 20 30 EDEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000120752197 596685955 /nfs/dbraw/zinc/68/59/55/596685955.db2.gz FVCSUTXYVYZYEH-HNNXBMFYSA-N 1 2 342.443 1.374 20 30 EDEDLO C[C@@H](C#N)Oc1ccc(CN2CC[NH+](CC(=O)NC3CC3)CC2)cc1 ZINC000120752197 596685957 /nfs/dbraw/zinc/68/59/57/596685957.db2.gz FVCSUTXYVYZYEH-HNNXBMFYSA-N 1 2 342.443 1.374 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC000865794910 596686701 /nfs/dbraw/zinc/68/67/01/596686701.db2.gz IZQSZDDCXXRDDX-OAHLLOKOSA-N 1 2 343.374 1.066 20 30 EDEDLO N#Cc1ccc(Cl)c(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000870060987 596729540 /nfs/dbraw/zinc/72/95/40/596729540.db2.gz RXJVXGUBNVWNFC-CQSZACIVSA-N 1 2 349.818 1.385 20 30 EDEDLO C[C@@H](NC(=O)N(C)CCc1cccc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000868285976 596765891 /nfs/dbraw/zinc/76/58/91/596765891.db2.gz LJLHGPJKHKIZPS-CVEARBPZSA-N 1 2 344.459 1.851 20 30 EDEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCN(c2ccc(C#N)cc2)CC1 ZINC000866210385 596828554 /nfs/dbraw/zinc/82/85/54/596828554.db2.gz GGQJFIROIZUJSO-UHFFFAOYSA-N 1 2 334.387 1.144 20 30 EDEDLO CN1CCN(C(=O)C(=O)Nc2sccc2C#N)Cc2ccc[nH+]c21 ZINC000874228323 596974726 /nfs/dbraw/zinc/97/47/26/596974726.db2.gz SLGTXQIEQGRKHV-UHFFFAOYSA-N 1 2 341.396 1.432 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CN3CCC4(CCCC4)C3=O)CC2)n1 ZINC000872597799 596982523 /nfs/dbraw/zinc/98/25/23/596982523.db2.gz OWMGZTOVNFDAPA-UHFFFAOYSA-N 1 2 339.443 1.825 20 30 EDEDLO C#CCN(C)C(=O)C(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC000872990971 597152869 /nfs/dbraw/zinc/15/28/69/597152869.db2.gz ZWQPILZKOIUDIW-KRWDZBQOSA-N 1 2 345.418 1.513 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(F)ccc2N(C)C)CC1 ZINC000876554300 597237871 /nfs/dbraw/zinc/23/78/71/597237871.db2.gz JINPLGMCUNNQMG-UHFFFAOYSA-N 1 2 334.439 1.312 20 30 EDEDLO COCC[C@@H](C[NH+]1CCN(CC#N)CC1)NC(=O)OC(C)(C)C ZINC000876677765 597285083 /nfs/dbraw/zinc/28/50/83/597285083.db2.gz ULISROLCETWOTC-AWEZNQCLSA-N 1 2 326.441 1.057 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)CCC1(F)F ZINC000877696628 597548457 /nfs/dbraw/zinc/54/84/57/597548457.db2.gz VCFMCIZQARWFPZ-ZDUSSCGKSA-N 1 2 349.341 1.621 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)CCC1(F)F ZINC000877696628 597548458 /nfs/dbraw/zinc/54/84/58/597548458.db2.gz VCFMCIZQARWFPZ-ZDUSSCGKSA-N 1 2 349.341 1.621 20 30 EDEDLO C=CCCc1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000882322712 597934027 /nfs/dbraw/zinc/93/40/27/597934027.db2.gz QLEXSLFGYVFXRZ-MRXNPFEDSA-N 1 2 336.457 1.245 20 30 EDEDLO C=CCCc1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000882322712 597934029 /nfs/dbraw/zinc/93/40/29/597934029.db2.gz QLEXSLFGYVFXRZ-MRXNPFEDSA-N 1 2 336.457 1.245 20 30 EDEDLO C#CCC1(O)CC[NH+](CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 ZINC000880480431 597942195 /nfs/dbraw/zinc/94/21/95/597942195.db2.gz SKLDTQJKAKYCFR-UHFFFAOYSA-N 1 2 332.400 1.451 20 30 EDEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2cc(C(C)(C)C)nn2C)CC1 ZINC000880482153 597942601 /nfs/dbraw/zinc/94/26/01/597942601.db2.gz ZCCQUFJGYSZNIL-UHFFFAOYSA-N 1 2 332.448 1.506 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880584689 597971709 /nfs/dbraw/zinc/97/17/09/597971709.db2.gz RBFLMWIIYJLGEX-CYBMUJFWSA-N 1 2 335.429 1.422 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880584689 597971711 /nfs/dbraw/zinc/97/17/11/597971711.db2.gz RBFLMWIIYJLGEX-CYBMUJFWSA-N 1 2 335.429 1.422 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000884073536 597986088 /nfs/dbraw/zinc/98/60/88/597986088.db2.gz NJRQFALNBDEVGN-HOTGVXAUSA-N 1 2 348.399 1.630 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)Cc1ccccc1OC ZINC000884124644 598001686 /nfs/dbraw/zinc/00/16/86/598001686.db2.gz CQNOTPAAMDQZOV-AWEZNQCLSA-N 1 2 334.416 1.579 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000884331703 598070224 /nfs/dbraw/zinc/07/02/24/598070224.db2.gz VLXJFPIZKZVPMS-KBPBESRZSA-N 1 2 336.363 1.602 20 30 EDEDLO C[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)C[C@H](C)N1CC#N ZINC000914153388 695164267 /nfs/dbraw/zinc/16/42/67/695164267.db2.gz ABHSNGAFEIBWDD-GASCZTMLSA-N 1 2 330.436 1.511 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060464241 695248125 /nfs/dbraw/zinc/24/81/25/695248125.db2.gz SELJYIQKNIPIHD-HUUCEWRRSA-N 1 2 332.448 1.909 20 30 EDEDLO C=CCCn1cc(C(=O)NC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)nn1 ZINC001031080115 695479415 /nfs/dbraw/zinc/47/94/15/695479415.db2.gz WCUOTPRAIDHHOW-CQSZACIVSA-N 1 2 333.436 1.083 20 30 EDEDLO Cc1conc1C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000993236600 695865908 /nfs/dbraw/zinc/86/59/08/695865908.db2.gz QJAWGIAMGRKGNZ-GXTWGEPZSA-N 1 2 327.388 1.966 20 30 EDEDLO Cc1conc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000993236600 695865911 /nfs/dbraw/zinc/86/59/11/695865911.db2.gz QJAWGIAMGRKGNZ-GXTWGEPZSA-N 1 2 327.388 1.966 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)NC1CN(CC#Cc2ccc(Cl)cc2)C1 ZINC001031259899 696066421 /nfs/dbraw/zinc/06/64/21/696066421.db2.gz IRHUWOOSKCYERL-UHFFFAOYSA-N 1 2 342.830 1.468 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)nc2COC)[C@@H]1C ZINC000993522157 696202701 /nfs/dbraw/zinc/20/27/01/696202701.db2.gz PMZVDPRDIXNNAM-JSGCOSHPSA-N 1 2 340.855 1.902 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)nc2COC)[C@@H]1C ZINC000993522157 696202704 /nfs/dbraw/zinc/20/27/04/696202704.db2.gz PMZVDPRDIXNNAM-JSGCOSHPSA-N 1 2 340.855 1.902 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCCCC2=O)[C@H]1C ZINC000993531917 696208659 /nfs/dbraw/zinc/20/86/59/696208659.db2.gz OSJIBNWJLINRKF-KGLIPLIRSA-N 1 2 327.856 1.721 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCCC2=O)[C@H]1C ZINC000993531917 696208662 /nfs/dbraw/zinc/20/86/62/696208662.db2.gz OSJIBNWJLINRKF-KGLIPLIRSA-N 1 2 327.856 1.721 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cn[nH]n2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993544902 696218873 /nfs/dbraw/zinc/21/88/73/696218873.db2.gz UPAPGLFINSFBJK-MFKMUULPSA-N 1 2 330.417 1.521 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cn[nH]n2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993544902 696218877 /nfs/dbraw/zinc/21/88/77/696218877.db2.gz UPAPGLFINSFBJK-MFKMUULPSA-N 1 2 330.417 1.521 20 30 EDEDLO CC(C)(C)NC(=O)CON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181842560 700075930 /nfs/dbraw/zinc/07/59/30/700075930.db2.gz WBCBQJMCNPLHKR-HNNXBMFYSA-N 1 2 348.447 1.091 20 30 EDEDLO CC(C)(C)NC(=O)CON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181842560 700075933 /nfs/dbraw/zinc/07/59/33/700075933.db2.gz WBCBQJMCNPLHKR-HNNXBMFYSA-N 1 2 348.447 1.091 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@@H]1C ZINC000993957474 696463673 /nfs/dbraw/zinc/46/36/73/696463673.db2.gz CBDWLFMSNWSFLV-QWHCGFSZSA-N 1 2 340.859 1.518 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@@H]1C ZINC000993957474 696463674 /nfs/dbraw/zinc/46/36/74/696463674.db2.gz CBDWLFMSNWSFLV-QWHCGFSZSA-N 1 2 340.859 1.518 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnc3nc(C)nn32)[C@@H]1C ZINC000994207087 696580656 /nfs/dbraw/zinc/58/06/56/696580656.db2.gz FKHDFVCAGWARPD-WCQYABFASA-N 1 2 348.838 1.768 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3nc(C)nn32)[C@@H]1C ZINC000994207087 696580658 /nfs/dbraw/zinc/58/06/58/696580658.db2.gz FKHDFVCAGWARPD-WCQYABFASA-N 1 2 348.838 1.768 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@H]1C ZINC000994217692 696587016 /nfs/dbraw/zinc/58/70/16/696587016.db2.gz XIAKQEOHFMXZST-DGCLKSJQSA-N 1 2 349.822 1.770 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccn3c(=O)[nH]nc23)[C@H]1C ZINC000994217692 696587018 /nfs/dbraw/zinc/58/70/18/696587018.db2.gz XIAKQEOHFMXZST-DGCLKSJQSA-N 1 2 349.822 1.770 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)C1 ZINC000939985069 700103416 /nfs/dbraw/zinc/10/34/16/700103416.db2.gz JRYKFHYXOFAJQU-GDBMZVCRSA-N 1 2 344.459 1.672 20 30 EDEDLO CC[C@H](C)NC(=O)CON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181849095 700102339 /nfs/dbraw/zinc/10/23/39/700102339.db2.gz LNAILLYJGQMUGS-GOEBONIOSA-N 1 2 348.447 1.091 20 30 EDEDLO CC[C@H](C)NC(=O)CON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181849095 700102340 /nfs/dbraw/zinc/10/23/40/700102340.db2.gz LNAILLYJGQMUGS-GOEBONIOSA-N 1 2 348.447 1.091 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H]1C ZINC000994518840 696999258 /nfs/dbraw/zinc/99/92/58/696999258.db2.gz MOVMMUDMRZBESE-WCQYABFASA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H]1C ZINC000994518840 696999259 /nfs/dbraw/zinc/99/92/59/696999259.db2.gz MOVMMUDMRZBESE-WCQYABFASA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H]1C ZINC000994562492 697137596 /nfs/dbraw/zinc/13/75/96/697137596.db2.gz PWDBQKRQYSEZSX-AAEUAGOBSA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@@H]1C ZINC000994562492 697137597 /nfs/dbraw/zinc/13/75/97/697137597.db2.gz PWDBQKRQYSEZSX-AAEUAGOBSA-N 1 2 336.823 1.516 20 30 EDEDLO C#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001060720358 697186975 /nfs/dbraw/zinc/18/69/75/697186975.db2.gz IPYRYSUVBKMOOR-QAQDUYKDSA-N 1 2 344.459 1.868 20 30 EDEDLO Cn1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)cn1 ZINC001031539027 697223985 /nfs/dbraw/zinc/22/39/85/697223985.db2.gz SGDLSYJKOYWJOX-UHFFFAOYSA-N 1 2 342.830 1.787 20 30 EDEDLO Cc1nnsc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031542721 697228745 /nfs/dbraw/zinc/22/87/45/697228745.db2.gz CHPMCUQHTBUQIM-UHFFFAOYSA-N 1 2 333.442 1.642 20 30 EDEDLO CCO[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031564340 697255216 /nfs/dbraw/zinc/25/52/16/697255216.db2.gz DBRYMFNXBBSRLW-NVXWUHKLSA-N 1 2 331.391 1.670 20 30 EDEDLO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031576316 697271531 /nfs/dbraw/zinc/27/15/31/697271531.db2.gz AFMVITKWTNLDJE-GJZGRUSLSA-N 1 2 345.374 1.054 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1CCCCO1 ZINC001031610193 697318157 /nfs/dbraw/zinc/31/81/57/697318157.db2.gz AKXYNZGHEBWEJY-SFHVURJKSA-N 1 2 330.403 1.794 20 30 EDEDLO Cc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)co1 ZINC001031627230 697364422 /nfs/dbraw/zinc/36/44/22/697364422.db2.gz GWEYXRKGURPGQN-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](CNC(=O)C#CC2CC2)CC1 ZINC001060765753 700152701 /nfs/dbraw/zinc/15/27/01/700152701.db2.gz ROBMGRHYVFTQEG-WKILWMFISA-N 1 2 342.443 1.167 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000921437319 697612774 /nfs/dbraw/zinc/61/27/74/697612774.db2.gz UIHJZJHPBKXTKN-UHFFFAOYSA-N 1 2 343.430 1.341 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000938317656 697841014 /nfs/dbraw/zinc/84/10/14/697841014.db2.gz VTRSLGXYCOPLNS-LBPRGKRZSA-N 1 2 338.839 1.458 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1 ZINC000068444228 698600037 /nfs/dbraw/zinc/60/00/37/698600037.db2.gz VKVICAIYXVFEEZ-UHFFFAOYSA-N 1 2 326.375 1.793 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccc(COC)c3)CC2)C1 ZINC000941476252 701551863 /nfs/dbraw/zinc/55/18/63/701551863.db2.gz UNJQBAOOXIHFEQ-UHFFFAOYSA-N 1 2 341.455 1.298 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)C1 ZINC000941480960 701553298 /nfs/dbraw/zinc/55/32/98/701553298.db2.gz UURVXOHUDQCPKV-UHFFFAOYSA-N 1 2 335.810 1.554 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(-c4ccco4)o3)CC2)C1 ZINC000941483757 701554370 /nfs/dbraw/zinc/55/43/70/701554370.db2.gz GRDPNANRHVGDCO-UHFFFAOYSA-N 1 2 339.395 1.615 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000939009764 699053821 /nfs/dbraw/zinc/05/38/21/699053821.db2.gz GGXCMSCQUNSYNL-GJZGRUSLSA-N 1 2 344.459 1.717 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](C)C1 ZINC000941765287 701704825 /nfs/dbraw/zinc/70/48/25/701704825.db2.gz QLMXACOLHLFWPF-ZYHUDNBSSA-N 1 2 339.237 1.825 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(F)c(C)c3)CC2)C1 ZINC000941537756 701569507 /nfs/dbraw/zinc/56/95/07/701569507.db2.gz OIHKAEXCXUBTEY-UHFFFAOYSA-N 1 2 329.419 1.599 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@H]([NH2+]Cc3nc(CCOC)no3)[C@@H](C)C2)C1 ZINC000939103439 699165928 /nfs/dbraw/zinc/16/59/28/699165928.db2.gz SIUCNOJLZXIBFZ-KBPBESRZSA-N 1 2 348.447 1.551 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(N(C)C)no3)C2)C1 ZINC000939103271 699166267 /nfs/dbraw/zinc/16/62/67/699166267.db2.gz PLCQZIVHMVPCJY-CHWSQXEVSA-N 1 2 333.436 1.428 20 30 EDEDLO C=CCOc1ccc(C(=O)NCC2C[NH+](Cc3cncn3C)C2)cc1 ZINC001031778444 699177201 /nfs/dbraw/zinc/17/72/01/699177201.db2.gz ZHDLEFNZOLXGSJ-UHFFFAOYSA-N 1 2 340.427 1.847 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnn(C(C)(C)C)n3)C2)C1 ZINC000939103518 699177952 /nfs/dbraw/zinc/17/79/52/699177952.db2.gz UDESKPHHSKBZJW-ZIAGYGMSSA-N 1 2 346.479 1.721 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)cccc3Cl)CC2)C1 ZINC000941547531 701576646 /nfs/dbraw/zinc/57/66/46/701576646.db2.gz MZBBIOVNBRGFFJ-UHFFFAOYSA-N 1 2 331.847 1.724 20 30 EDEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)ccc1=O ZINC001031810065 699475506 /nfs/dbraw/zinc/47/55/06/699475506.db2.gz AOOBBXDPSOFTKW-UHFFFAOYSA-N 1 2 336.395 1.119 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)c3c(C)noc3C)CC2)C1 ZINC000941607637 701595102 /nfs/dbraw/zinc/59/51/02/701595102.db2.gz TZKTWJSCSDUWJE-KRWDZBQOSA-N 1 2 344.459 1.247 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3CCC(C(F)F)CC3)CC2)C1 ZINC000941654664 701606016 /nfs/dbraw/zinc/60/60/16/701606016.db2.gz LCXDFNHUIQLHSI-UHFFFAOYSA-N 1 2 339.430 1.520 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnsn3)C2)cn1 ZINC000939569446 699712811 /nfs/dbraw/zinc/71/28/11/699712811.db2.gz ZZRHYVOPRQSEBW-IAQYHMDHSA-N 1 2 327.413 1.165 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)C1 ZINC000941661995 701608264 /nfs/dbraw/zinc/60/82/64/701608264.db2.gz QCBZDKIMNRGINS-UHFFFAOYSA-N 1 2 347.462 1.844 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000945437721 700289183 /nfs/dbraw/zinc/28/91/83/700289183.db2.gz FVRAODPOYGFNEO-UKRRQHHQSA-N 1 2 332.448 1.528 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3csnn3)C2)ccc1F ZINC001031881661 700537856 /nfs/dbraw/zinc/53/78/56/700537856.db2.gz SGXFKUDWHQTPEV-UHFFFAOYSA-N 1 2 331.376 1.411 20 30 EDEDLO Cn1cc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)nn1 ZINC000940656513 700818862 /nfs/dbraw/zinc/81/88/62/700818862.db2.gz CQQOAUBNYUOPAX-HNNXBMFYSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1cc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)nn1 ZINC000940656513 700818864 /nfs/dbraw/zinc/81/88/64/700818864.db2.gz CQQOAUBNYUOPAX-HNNXBMFYSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)n1 ZINC000940688256 700830585 /nfs/dbraw/zinc/83/05/85/700830585.db2.gz XEVWBIKRZQTYLI-OAHLLOKOSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)n1 ZINC000940688256 700830587 /nfs/dbraw/zinc/83/05/87/700830587.db2.gz XEVWBIKRZQTYLI-OAHLLOKOSA-N 1 2 341.419 1.045 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3csc(=O)[nH]3)C2)ccc1F ZINC001031914697 700969433 /nfs/dbraw/zinc/96/94/33/700969433.db2.gz SJSKEGMGYSFACD-UHFFFAOYSA-N 1 2 346.387 1.721 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000941068465 701117072 /nfs/dbraw/zinc/11/70/72/701117072.db2.gz QFEDAJNQGGJREZ-OAHLLOKOSA-N 1 2 340.489 1.051 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C(C)(C)C1 ZINC000941068465 701117074 /nfs/dbraw/zinc/11/70/74/701117074.db2.gz QFEDAJNQGGJREZ-OAHLLOKOSA-N 1 2 340.489 1.051 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C(C)(C)C1 ZINC000941211131 701398264 /nfs/dbraw/zinc/39/82/64/701398264.db2.gz MXJQOGUSSFWJNP-MRXNPFEDSA-N 1 2 325.416 1.812 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]nnc3c2)C(C)(C)C1 ZINC000941211131 701398265 /nfs/dbraw/zinc/39/82/65/701398265.db2.gz MXJQOGUSSFWJNP-MRXNPFEDSA-N 1 2 325.416 1.812 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCN(C2C[NH+]([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000941339042 701477645 /nfs/dbraw/zinc/47/76/45/701477645.db2.gz MBXFZHXNEUOBGS-HUUCEWRRSA-N 1 2 344.434 1.875 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4occc4c3)CC2)C1 ZINC000941417748 701531357 /nfs/dbraw/zinc/53/13/57/701531357.db2.gz DXIQXHBTKQEGDV-UHFFFAOYSA-N 1 2 337.423 1.898 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)C1 ZINC000941438427 701540985 /nfs/dbraw/zinc/54/09/85/701540985.db2.gz WUUUIPXARZAEBZ-UHFFFAOYSA-N 1 2 333.382 1.430 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)C1 ZINC000941456631 701543105 /nfs/dbraw/zinc/54/31/05/701543105.db2.gz RNKHWQFPRLUBOI-ZWKOTPCHSA-N 1 2 343.496 1.703 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(F)c(C)cc3F)CC2)C1 ZINC000941447137 701545636 /nfs/dbraw/zinc/54/56/36/701545636.db2.gz PCDFJMAUSZWUQG-UHFFFAOYSA-N 1 2 347.409 1.739 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccccc3CC)CC2)C1 ZINC000941455163 701548582 /nfs/dbraw/zinc/54/85/82/701548582.db2.gz LYDUUGMZPSXTGV-UHFFFAOYSA-N 1 2 339.483 1.643 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](C)C1 ZINC000941765287 701704822 /nfs/dbraw/zinc/70/48/22/701704822.db2.gz QLMXACOLHLFWPF-ZYHUDNBSSA-N 1 2 339.237 1.825 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)[C@@H](C)C2)cn1 ZINC000947948406 706628737 /nfs/dbraw/zinc/62/87/37/706628737.db2.gz NIXYSPZFDLUHPF-WMLDXEAASA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccn3C)[C@@H](C)C2)cn1 ZINC000947948406 706628741 /nfs/dbraw/zinc/62/87/41/706628741.db2.gz NIXYSPZFDLUHPF-WMLDXEAASA-N 1 2 337.427 1.579 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cscn2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941930579 702159843 /nfs/dbraw/zinc/15/98/43/702159843.db2.gz SYMBJEKNBRBSLI-RISCZKNCSA-N 1 2 329.429 1.983 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cscn2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000941930579 702159846 /nfs/dbraw/zinc/15/98/46/702159846.db2.gz SYMBJEKNBRBSLI-RISCZKNCSA-N 1 2 329.429 1.983 20 30 EDEDLO CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)o1 ZINC000941931533 702162405 /nfs/dbraw/zinc/16/24/05/702162405.db2.gz ZLYCDFNMTFMBMP-WCQYABFASA-N 1 2 342.403 1.472 20 30 EDEDLO CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)o1 ZINC000941931533 702162409 /nfs/dbraw/zinc/16/24/09/702162409.db2.gz ZLYCDFNMTFMBMP-WCQYABFASA-N 1 2 342.403 1.472 20 30 EDEDLO CCn1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)n1 ZINC000941963894 702252314 /nfs/dbraw/zinc/25/23/14/702252314.db2.gz NFCSXFIMVWSBEI-BLLLJJGKSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)n1 ZINC000941963894 702252318 /nfs/dbraw/zinc/25/23/18/702252318.db2.gz NFCSXFIMVWSBEI-BLLLJJGKSA-N 1 2 341.419 1.138 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(OC)ccn2)C1 ZINC001031986762 702397103 /nfs/dbraw/zinc/39/71/03/702397103.db2.gz BZHPSXAABMWWFU-SJORKVTESA-N 1 2 331.416 1.229 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@H]2C)nc1 ZINC000944191689 702482664 /nfs/dbraw/zinc/48/26/64/702482664.db2.gz DOBPLJQNHFTYCE-IUODEOHRSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)o3)C[C@H]2C)nc1 ZINC000944191689 702482666 /nfs/dbraw/zinc/48/26/66/702482666.db2.gz DOBPLJQNHFTYCE-IUODEOHRSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@H]2C)c1 ZINC000942617497 703131144 /nfs/dbraw/zinc/13/11/44/703131144.db2.gz PXKNGBWTRGXTHL-WBMJQRKESA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)C[C@H]2C)c1 ZINC000942617497 703131146 /nfs/dbraw/zinc/13/11/46/703131146.db2.gz PXKNGBWTRGXTHL-WBMJQRKESA-N 1 2 339.399 1.395 20 30 EDEDLO CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C#N)c2)o1 ZINC001032364762 703250998 /nfs/dbraw/zinc/25/09/98/703250998.db2.gz QNRVPDBLGJASFE-GJZGRUSLSA-N 1 2 339.399 1.844 20 30 EDEDLO CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C#N)c2)o1 ZINC001032364762 703250999 /nfs/dbraw/zinc/25/09/99/703250999.db2.gz QNRVPDBLGJASFE-GJZGRUSLSA-N 1 2 339.399 1.844 20 30 EDEDLO C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CCN(CC#N)CC1 ZINC000997094840 703333923 /nfs/dbraw/zinc/33/39/23/703333923.db2.gz ZPJHHJZDZMRQDB-DYVFJYSZSA-N 1 2 344.463 1.530 20 30 EDEDLO C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CCN(CC#N)CC1 ZINC000997094840 703333926 /nfs/dbraw/zinc/33/39/26/703333926.db2.gz ZPJHHJZDZMRQDB-DYVFJYSZSA-N 1 2 344.463 1.530 20 30 EDEDLO C#CCCCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795530 703380914 /nfs/dbraw/zinc/38/09/14/703380914.db2.gz NLTHDJRTZGOZOE-WKILWMFISA-N 1 2 344.459 1.937 20 30 EDEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1COc2ccccc2O1 ZINC001032396896 703407232 /nfs/dbraw/zinc/40/72/32/703407232.db2.gz JMWNWUQPNHSSFQ-YESZJQIVSA-N 1 2 338.407 1.525 20 30 EDEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1COc2ccccc2O1 ZINC001032396896 703407234 /nfs/dbraw/zinc/40/72/34/703407234.db2.gz JMWNWUQPNHSSFQ-YESZJQIVSA-N 1 2 338.407 1.525 20 30 EDEDLO COCc1nocc1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015980402 703489680 /nfs/dbraw/zinc/48/96/80/703489680.db2.gz DHZACSMSHUMTNZ-INIZCTEOSA-N 1 2 339.395 1.677 20 30 EDEDLO COCc1nocc1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015980402 703489681 /nfs/dbraw/zinc/48/96/81/703489681.db2.gz DHZACSMSHUMTNZ-INIZCTEOSA-N 1 2 339.395 1.677 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)C(=O)N(C)C ZINC001032422784 703582134 /nfs/dbraw/zinc/58/21/34/703582134.db2.gz LNFGITYAHVDMGV-DRZSPHRISA-N 1 2 327.856 1.527 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)C(=O)N(C)C ZINC001032422784 703582135 /nfs/dbraw/zinc/58/21/35/703582135.db2.gz LNFGITYAHVDMGV-DRZSPHRISA-N 1 2 327.856 1.527 20 30 EDEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1CC[NH+](Cc2nncs2)CC1 ZINC000997549214 703813266 /nfs/dbraw/zinc/81/32/66/703813266.db2.gz HFUFUJLRRYHBCF-NSHDSACASA-N 1 2 344.444 1.768 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2nncn2C)CC1 ZINC000997754042 704656779 /nfs/dbraw/zinc/65/67/79/704656779.db2.gz IVKYDGTVBCXKMK-IMJJTQAJSA-N 1 2 347.463 1.123 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H](C)C2CC[NH+](Cc3cnon3)CC2)nc1 ZINC000997839066 704754717 /nfs/dbraw/zinc/75/47/17/704754717.db2.gz QREDROOYZKVJKB-ZDUSSCGKSA-N 1 2 339.399 1.476 20 30 EDEDLO C=C1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)CC1 ZINC000997877658 704781103 /nfs/dbraw/zinc/78/11/03/704781103.db2.gz BVFZRRPGPDTCLE-IKGGRYGDSA-N 1 2 342.443 1.878 20 30 EDEDLO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2cc[nH+]c2)C3)C1 ZINC000997886000 704789059 /nfs/dbraw/zinc/78/90/59/704789059.db2.gz XVCABWJIWFVFSB-ILXRZTDVSA-N 1 2 328.416 1.488 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2scnc2C)c1 ZINC001032617857 705646223 /nfs/dbraw/zinc/64/62/23/705646223.db2.gz WPTMVFBRQDPWBA-HOTGVXAUSA-N 1 2 338.436 1.927 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2scnc2C)c1 ZINC001032617857 705646225 /nfs/dbraw/zinc/64/62/25/705646225.db2.gz WPTMVFBRQDPWBA-HOTGVXAUSA-N 1 2 338.436 1.927 20 30 EDEDLO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC000998316804 705737615 /nfs/dbraw/zinc/73/76/15/705737615.db2.gz RDKOZESDQQRCOE-PMPSAXMXSA-N 1 2 348.406 1.609 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C4CC4)o3)C2)c1 ZINC000998848152 706276174 /nfs/dbraw/zinc/27/61/74/706276174.db2.gz FMWOQTQKAMKSFI-ZDUSSCGKSA-N 1 2 340.387 1.541 20 30 EDEDLO CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC000998849475 706277199 /nfs/dbraw/zinc/27/71/99/706277199.db2.gz NQJJORMLPKVFIZ-LBPRGKRZSA-N 1 2 328.376 1.226 20 30 EDEDLO O=C(C#CC1CC1)N1CCC[C@@H]([NH2+]Cc2nnc(C(F)F)s2)C1 ZINC000999129821 706533793 /nfs/dbraw/zinc/53/37/93/706533793.db2.gz SFJIAWNIWDZCBV-LLVKDONJSA-N 1 2 340.399 1.970 20 30 EDEDLO Cc1nc(N2CC[C@@H](CNC(=O)c3ccc(C#N)[nH]3)C2)c(C)c(C)[nH+]1 ZINC001061559379 707188413 /nfs/dbraw/zinc/18/84/13/707188413.db2.gz AKHMRLTXSDANGK-AWEZNQCLSA-N 1 2 338.415 1.858 20 30 EDEDLO C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001061630684 707408296 /nfs/dbraw/zinc/40/82/96/707408296.db2.gz AVYWPYLKKHAZHO-HZPDHXFCSA-N 1 2 348.447 1.534 20 30 EDEDLO CCc1nc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C#CC2CC2)no1 ZINC001004857335 707477087 /nfs/dbraw/zinc/47/70/87/707477087.db2.gz YIIYXMTVJNJTLO-UKRRQHHQSA-N 1 2 330.432 1.905 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC001032785186 707990519 /nfs/dbraw/zinc/99/05/19/707990519.db2.gz AUJSNBGZISAFRA-HOTGVXAUSA-N 1 2 349.394 1.084 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC001032785186 707990523 /nfs/dbraw/zinc/99/05/23/707990523.db2.gz AUJSNBGZISAFRA-HOTGVXAUSA-N 1 2 349.394 1.084 20 30 EDEDLO C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001067690493 708026640 /nfs/dbraw/zinc/02/66/40/708026640.db2.gz DCUMIOWKAFHAGZ-RRFJBIMHSA-N 1 2 348.447 1.411 20 30 EDEDLO C=CCO[C@@H](C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001067690493 708026643 /nfs/dbraw/zinc/02/66/43/708026643.db2.gz DCUMIOWKAFHAGZ-RRFJBIMHSA-N 1 2 348.447 1.411 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2ccc[nH]2)s1 ZINC001032794669 708061232 /nfs/dbraw/zinc/06/12/32/708061232.db2.gz ARWMIEYQFOMMDS-KBPBESRZSA-N 1 2 326.425 1.976 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2ccc[nH]2)s1 ZINC001032794669 708061233 /nfs/dbraw/zinc/06/12/33/708061233.db2.gz ARWMIEYQFOMMDS-KBPBESRZSA-N 1 2 326.425 1.976 20 30 EDEDLO C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001061662815 708102542 /nfs/dbraw/zinc/10/25/42/708102542.db2.gz AZSOMCPLBUACFW-HNNXBMFYSA-N 1 2 334.420 1.042 20 30 EDEDLO C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001061662815 708102545 /nfs/dbraw/zinc/10/25/45/708102545.db2.gz AZSOMCPLBUACFW-HNNXBMFYSA-N 1 2 334.420 1.042 20 30 EDEDLO C#CCCCC(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001060988870 708103058 /nfs/dbraw/zinc/10/30/58/708103058.db2.gz AXODZBIJERTLAE-UHFFFAOYSA-N 1 2 328.416 1.207 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]2C)C1 ZINC001005254207 708397220 /nfs/dbraw/zinc/39/72/20/708397220.db2.gz IWGGNWUHZFAKQH-CZUORRHYSA-N 1 2 344.459 1.970 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001002138815 708675741 /nfs/dbraw/zinc/67/57/41/708675741.db2.gz PHCBPXYUCAXCBG-OAHLLOKOSA-N 1 2 329.872 1.288 20 30 EDEDLO Cc1nc(N[C@@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)ccc1C#N ZINC001061096278 709038156 /nfs/dbraw/zinc/03/81/56/709038156.db2.gz RYTLRXMZVMXKNC-CVEARBPZSA-N 1 2 338.415 1.998 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H](Nc2nccnc2C#N)C1 ZINC001061098625 709057595 /nfs/dbraw/zinc/05/75/95/709057595.db2.gz OYDMLNHTIVSVRE-QWHCGFSZSA-N 1 2 339.403 1.462 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033923418 709079673 /nfs/dbraw/zinc/07/96/73/709079673.db2.gz TUZAGGQKENCXQG-MQYQWHSLSA-N 1 2 343.265 1.710 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033923418 709079675 /nfs/dbraw/zinc/07/96/75/709079675.db2.gz TUZAGGQKENCXQG-MQYQWHSLSA-N 1 2 343.265 1.710 20 30 EDEDLO Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)o1 ZINC001002550176 709097854 /nfs/dbraw/zinc/09/78/54/709097854.db2.gz BYMCNSSXGNATTG-SNVBAGLBSA-N 1 2 328.376 1.533 20 30 EDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001061102578 709098084 /nfs/dbraw/zinc/09/80/84/709098084.db2.gz PYTOLWOUMIFMAC-LSDHHAIUSA-N 1 2 344.459 1.861 20 30 EDEDLO Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)[nH]1 ZINC001002551012 709098469 /nfs/dbraw/zinc/09/84/69/709098469.db2.gz JJTUJVIILYPPSU-JTQLQIEISA-N 1 2 327.392 1.268 20 30 EDEDLO N#Cc1cncc(N[C@H]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001061107677 709135891 /nfs/dbraw/zinc/13/58/91/709135891.db2.gz NUTPOHLGHQVQRV-NWDGAFQWSA-N 1 2 325.376 1.153 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC001033954634 709136100 /nfs/dbraw/zinc/13/61/00/709136100.db2.gz RQNYSNMUNMDYCQ-ZACQAIPSSA-N 1 2 344.459 1.799 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001033954634 709136101 /nfs/dbraw/zinc/13/61/01/709136101.db2.gz RQNYSNMUNMDYCQ-ZACQAIPSSA-N 1 2 344.459 1.799 20 30 EDEDLO C#Cc1cncc(C(=O)N(CC)[C@H]2CC[N@H+](Cc3cnc(C)cn3)C2)c1 ZINC001033954768 709136146 /nfs/dbraw/zinc/13/61/46/709136146.db2.gz GILCRLOIFDEKRM-IBGZPJMESA-N 1 2 349.438 1.898 20 30 EDEDLO C#Cc1cncc(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)c1 ZINC001033954768 709136149 /nfs/dbraw/zinc/13/61/49/709136149.db2.gz GILCRLOIFDEKRM-IBGZPJMESA-N 1 2 349.438 1.898 20 30 EDEDLO Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001002631451 709190300 /nfs/dbraw/zinc/19/03/00/709190300.db2.gz GXBCKXXBFOXKLU-SNVBAGLBSA-N 1 2 328.376 1.533 20 30 EDEDLO CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)o1 ZINC001002649861 709209443 /nfs/dbraw/zinc/20/94/43/709209443.db2.gz ZBVQVBJMDNYXRL-LLVKDONJSA-N 1 2 342.403 1.787 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001002782509 709388379 /nfs/dbraw/zinc/38/83/79/709388379.db2.gz RFAHQRRMFFNJOV-CQSZACIVSA-N 1 2 344.459 1.610 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001002782509 709388381 /nfs/dbraw/zinc/38/83/81/709388381.db2.gz RFAHQRRMFFNJOV-CQSZACIVSA-N 1 2 344.459 1.610 20 30 EDEDLO Cc1noc([C@H](C)[N@@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034165221 709438724 /nfs/dbraw/zinc/43/87/24/709438724.db2.gz LZWAVFFXKABBRJ-FZMZJTMJSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1noc([C@H](C)[N@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034165221 709438725 /nfs/dbraw/zinc/43/87/25/709438725.db2.gz LZWAVFFXKABBRJ-FZMZJTMJSA-N 1 2 342.403 1.923 20 30 EDEDLO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001034216479 709571525 /nfs/dbraw/zinc/57/15/25/709571525.db2.gz HEJPFLWODNGJIA-AWEZNQCLSA-N 1 2 340.445 1.844 20 30 EDEDLO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001034216479 709571528 /nfs/dbraw/zinc/57/15/28/709571528.db2.gz HEJPFLWODNGJIA-AWEZNQCLSA-N 1 2 340.445 1.844 20 30 EDEDLO C=CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001061735679 709581365 /nfs/dbraw/zinc/58/13/65/709581365.db2.gz VFDNHXCWWNEOAA-HNNXBMFYSA-N 1 2 348.447 1.219 20 30 EDEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001034485385 710131434 /nfs/dbraw/zinc/13/14/34/710131434.db2.gz CZKSWRIOFPTIMZ-MRXNPFEDSA-N 1 2 338.415 1.390 20 30 EDEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001034485385 710131436 /nfs/dbraw/zinc/13/14/36/710131436.db2.gz CZKSWRIOFPTIMZ-MRXNPFEDSA-N 1 2 338.415 1.390 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2C[C@H](C)CO2)CC1 ZINC001003331877 710256226 /nfs/dbraw/zinc/25/62/26/710256226.db2.gz IRCRSOUGNIQZHT-GXFFZTMASA-N 1 2 331.254 1.901 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccc(Cn3ccnn3)o2)CC1 ZINC001003360148 710282129 /nfs/dbraw/zinc/28/21/29/710282129.db2.gz CMWPBVFYFOYWAM-UHFFFAOYSA-N 1 2 349.822 1.866 20 30 EDEDLO O=C(NC1CC[NH+](CC#Cc2ccccc2Cl)CC1)c1cnon1 ZINC001003818216 710603802 /nfs/dbraw/zinc/60/38/02/710603802.db2.gz XWLPWXLATRGHIQ-UHFFFAOYSA-N 1 2 344.802 1.969 20 30 EDEDLO N#Cc1cnccc1N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001061770889 710608852 /nfs/dbraw/zinc/60/88/52/710608852.db2.gz PAQBRKOMNGNIJO-BPLDGKMQSA-N 1 2 336.399 1.423 20 30 EDEDLO N#Cc1cnccc1N1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001061770889 710608857 /nfs/dbraw/zinc/60/88/57/710608857.db2.gz PAQBRKOMNGNIJO-BPLDGKMQSA-N 1 2 336.399 1.423 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032979752 711103182 /nfs/dbraw/zinc/10/31/82/711103182.db2.gz FPDLIDYXYFETHA-INIZCTEOSA-N 1 2 341.390 1.696 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032979752 711103185 /nfs/dbraw/zinc/10/31/85/711103185.db2.gz FPDLIDYXYFETHA-INIZCTEOSA-N 1 2 341.390 1.696 20 30 EDEDLO COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)sn1 ZINC001032984719 711142156 /nfs/dbraw/zinc/14/21/56/711142156.db2.gz CSUKUWTXVUALAF-LBPRGKRZSA-N 1 2 345.428 1.698 20 30 EDEDLO COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)sn1 ZINC001032984719 711142158 /nfs/dbraw/zinc/14/21/58/711142158.db2.gz CSUKUWTXVUALAF-LBPRGKRZSA-N 1 2 345.428 1.698 20 30 EDEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033022653 711378767 /nfs/dbraw/zinc/37/87/67/711378767.db2.gz OZXWQGQOKOMENX-OAHLLOKOSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033022653 711378772 /nfs/dbraw/zinc/37/87/72/711378772.db2.gz OZXWQGQOKOMENX-OAHLLOKOSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1cn(C)nn1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033054970 711628414 /nfs/dbraw/zinc/62/84/14/711628414.db2.gz RYVRTTBAISIVPS-INIZCTEOSA-N 1 2 341.390 1.152 20 30 EDEDLO CN(C(=O)c1cn(C)nn1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033054970 711628416 /nfs/dbraw/zinc/62/84/16/711628416.db2.gz RYVRTTBAISIVPS-INIZCTEOSA-N 1 2 341.390 1.152 20 30 EDEDLO CCn1nncc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033059149 711647978 /nfs/dbraw/zinc/64/79/78/711647978.db2.gz ZYRHUEXYIMBIPH-INIZCTEOSA-N 1 2 338.415 1.516 20 30 EDEDLO CCn1nncc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033059149 711647979 /nfs/dbraw/zinc/64/79/79/711647979.db2.gz ZYRHUEXYIMBIPH-INIZCTEOSA-N 1 2 338.415 1.516 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncccc2NC(C)=O)C1 ZINC001033136465 711913273 /nfs/dbraw/zinc/91/32/73/711913273.db2.gz OFGFMIXYWGMDMC-CYBMUJFWSA-N 1 2 336.823 1.939 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ncccc2NC(C)=O)C1 ZINC001033136465 711913276 /nfs/dbraw/zinc/91/32/76/711913276.db2.gz OFGFMIXYWGMDMC-CYBMUJFWSA-N 1 2 336.823 1.939 20 30 EDEDLO Cn1cc(C(C)(C)C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004584865 712018315 /nfs/dbraw/zinc/01/83/15/712018315.db2.gz BKCNQAYHQLLTEN-KRWDZBQOSA-N 1 2 343.475 1.924 20 30 EDEDLO Cn1cc(C(C)(C)C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004584865 712018317 /nfs/dbraw/zinc/01/83/17/712018317.db2.gz BKCNQAYHQLLTEN-KRWDZBQOSA-N 1 2 343.475 1.924 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cn2)OCCO3)C1 ZINC001033154081 712178554 /nfs/dbraw/zinc/17/85/54/712178554.db2.gz AOVOXFZUJLFJJR-GFCCVEGCSA-N 1 2 337.807 1.752 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cn2)OCCO3)C1 ZINC001033154081 712178556 /nfs/dbraw/zinc/17/85/56/712178556.db2.gz AOVOXFZUJLFJJR-GFCCVEGCSA-N 1 2 337.807 1.752 20 30 EDEDLO Cc1[nH]nc2ncc(C[NH+]3CCN(c4cnccc4C#N)CC3)cc12 ZINC000559308884 306253819 /nfs/dbraw/zinc/25/38/19/306253819.db2.gz XUQAOYYKSSIPKL-UHFFFAOYSA-N 1 2 333.399 1.855 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCn3nc(C)nc3C1)CCC2 ZINC000328663003 539346094 /nfs/dbraw/zinc/34/60/94/539346094.db2.gz XSFBNWULDCYORL-ZDUSSCGKSA-N 1 2 329.408 1.399 20 30 EDEDLO O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@H]1COCCO1 ZINC000328861133 539373182 /nfs/dbraw/zinc/37/31/82/539373182.db2.gz LQPCGAVKYPMLCS-CQSZACIVSA-N 1 2 332.360 1.403 20 30 EDEDLO C[C@H](NC(=O)c1nn(C)c2ccccc2c1=O)[C@H](C)[NH+]1CCOCC1 ZINC000329415417 539435710 /nfs/dbraw/zinc/43/57/10/539435710.db2.gz CUQJHXUYJVPUJH-STQMWFEESA-N 1 2 344.415 1.347 20 30 EDEDLO CCN1CCN(C(=O)NCCc2cccc(C)n2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329985262 539484156 /nfs/dbraw/zinc/48/41/56/539484156.db2.gz QYWAXGGOGWWTEJ-INIZCTEOSA-N 1 2 342.447 1.948 20 30 EDEDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101728670 219160317 /nfs/dbraw/zinc/16/03/17/219160317.db2.gz MLQXYCYFZCAAFJ-RDJZCZTQSA-N 1 2 342.443 1.364 20 30 EDEDLO COCC[N@H+](CCOc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000066493151 215047342 /nfs/dbraw/zinc/04/73/42/215047342.db2.gz PKICYIUVPDRTRM-OAHLLOKOSA-N 1 2 338.429 1.073 20 30 EDEDLO COCC[N@@H+](CCOc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000066493151 215047344 /nfs/dbraw/zinc/04/73/44/215047344.db2.gz PKICYIUVPDRTRM-OAHLLOKOSA-N 1 2 338.429 1.073 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000067215104 215125825 /nfs/dbraw/zinc/12/58/25/215125825.db2.gz XXNQIMMEEDYJMR-MRXNPFEDSA-N 1 2 340.489 1.147 20 30 EDEDLO CN1C(=O)c2ccc(NC(=O)C[NH2+][C@@H]3CCC[C@H]3C#N)cc2C1=O ZINC000333678650 539641709 /nfs/dbraw/zinc/64/17/09/539641709.db2.gz ZKRZITFEAQMLRP-IINYFYTJSA-N 1 2 326.356 1.133 20 30 EDEDLO CC1(C)C(=O)N[C@H]1C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000562442934 306298593 /nfs/dbraw/zinc/29/85/93/306298593.db2.gz BCLLYBUAAQXLMH-AWEZNQCLSA-N 1 2 346.456 1.795 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090201578 138277798 /nfs/dbraw/zinc/27/77/98/138277798.db2.gz LYQNSRFKMBLQDN-CVEARBPZSA-N 1 2 349.456 1.398 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090201578 138277799 /nfs/dbraw/zinc/27/77/99/138277799.db2.gz LYQNSRFKMBLQDN-CVEARBPZSA-N 1 2 349.456 1.398 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090201577 138277950 /nfs/dbraw/zinc/27/79/50/138277950.db2.gz LYQNSRFKMBLQDN-HZPDHXFCSA-N 1 2 349.456 1.398 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090201577 138277951 /nfs/dbraw/zinc/27/79/51/138277951.db2.gz LYQNSRFKMBLQDN-HZPDHXFCSA-N 1 2 349.456 1.398 20 30 EDEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCCNC1=O ZINC000105614047 138301707 /nfs/dbraw/zinc/30/17/07/138301707.db2.gz LFNVWNIGQQZFEO-AWEZNQCLSA-N 1 2 334.807 1.751 20 30 EDEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCCNC1=O ZINC000105614047 138301708 /nfs/dbraw/zinc/30/17/08/138301708.db2.gz LFNVWNIGQQZFEO-AWEZNQCLSA-N 1 2 334.807 1.751 20 30 EDEDLO N#Cc1ncn(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1C#N ZINC000126008888 138337167 /nfs/dbraw/zinc/33/71/67/138337167.db2.gz HTWCWPBJBYVCIB-UHFFFAOYSA-N 1 2 340.412 1.032 20 30 EDEDLO N#C[C@H]1CN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCO1 ZINC000106330325 237083821 /nfs/dbraw/zinc/08/38/21/237083821.db2.gz PZACTBSBNWAQCQ-INIZCTEOSA-N 1 2 339.399 1.408 20 30 EDEDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000072717880 216298491 /nfs/dbraw/zinc/29/84/91/216298491.db2.gz WDZKCLNNHSMYSQ-UHFFFAOYSA-N 1 2 337.445 1.290 20 30 EDEDLO C=C(C)CN(CC)C(=O)CS(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000078309424 217039556 /nfs/dbraw/zinc/03/95/56/217039556.db2.gz XYVMZVZRGXWHMC-UHFFFAOYSA-N 1 2 335.429 1.674 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 ZINC000110920882 220080515 /nfs/dbraw/zinc/08/05/15/220080515.db2.gz RYQZCHCOCCBOPO-HNNXBMFYSA-N 1 2 331.416 1.506 20 30 EDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCCCCC#N)CC1 ZINC000286761772 249664446 /nfs/dbraw/zinc/66/44/46/249664446.db2.gz PSMIGYZNMVLPST-OAHLLOKOSA-N 1 2 343.431 1.097 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000247651300 139153419 /nfs/dbraw/zinc/15/34/19/139153419.db2.gz NFLIUECEGZJONS-UHFFFAOYSA-N 1 2 348.472 1.407 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000247651300 139153420 /nfs/dbraw/zinc/15/34/20/139153420.db2.gz NFLIUECEGZJONS-UHFFFAOYSA-N 1 2 348.472 1.407 20 30 EDEDLO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331880393 249925359 /nfs/dbraw/zinc/92/53/59/249925359.db2.gz UZESRVMYHQCRGO-ZDUSSCGKSA-N 1 2 345.451 1.305 20 30 EDEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000345026383 250023066 /nfs/dbraw/zinc/02/30/66/250023066.db2.gz ZFSOURYGXSEZSG-UHFFFAOYSA-N 1 2 347.459 1.666 20 30 EDEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000345026383 250023069 /nfs/dbraw/zinc/02/30/69/250023069.db2.gz ZFSOURYGXSEZSG-UHFFFAOYSA-N 1 2 347.459 1.666 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000352253390 250077140 /nfs/dbraw/zinc/07/71/40/250077140.db2.gz WVCPNWLJBGXUTF-JYJNAYRXSA-N 1 2 337.464 1.027 20 30 EDEDLO C=C(C)COCCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000353761909 250083977 /nfs/dbraw/zinc/08/39/77/250083977.db2.gz VBHHCGLZFOHWMR-UHFFFAOYSA-N 1 2 334.420 1.310 20 30 EDEDLO CC[C@](C)(C#N)C(=O)N(C)C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000354952429 250103410 /nfs/dbraw/zinc/10/34/10/250103410.db2.gz ZSEKTMZUEDEINN-HLLBOEOZSA-N 1 2 335.427 1.731 20 30 EDEDLO CC[C@](C)(C#N)C(=O)N(C)C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000354952429 250103412 /nfs/dbraw/zinc/10/34/12/250103412.db2.gz ZSEKTMZUEDEINN-HLLBOEOZSA-N 1 2 335.427 1.731 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356633557 250128209 /nfs/dbraw/zinc/12/82/09/250128209.db2.gz WHLGKROPXKESLA-LSDHHAIUSA-N 1 2 331.416 1.582 20 30 EDEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000358361522 250132091 /nfs/dbraw/zinc/13/20/91/250132091.db2.gz WYBBVXYXELXJJR-KDOFPFPSSA-N 1 2 334.464 1.422 20 30 EDEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000358361522 250132097 /nfs/dbraw/zinc/13/20/97/250132097.db2.gz WYBBVXYXELXJJR-KDOFPFPSSA-N 1 2 334.464 1.422 20 30 EDEDLO C[C@H](C(=O)N[C@@]1(C#N)CCOC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000358438246 250133889 /nfs/dbraw/zinc/13/38/89/250133889.db2.gz GHUMIBZIYCGZPQ-RDTXWAMCSA-N 1 2 346.406 1.135 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000369757613 250204223 /nfs/dbraw/zinc/20/42/23/250204223.db2.gz NBGWDTIBAMWEIP-VXGBXAGGSA-N 1 2 328.372 1.534 20 30 EDEDLO C[C@H](O)c1cn(C2C[NH+](Cc3ccc(N(C)CCC#N)cc3)C2)nn1 ZINC000374795720 250272675 /nfs/dbraw/zinc/27/26/75/250272675.db2.gz BOKSPIUMQKVGAP-AWEZNQCLSA-N 1 2 340.431 1.738 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000410543059 250347727 /nfs/dbraw/zinc/34/77/27/250347727.db2.gz GGBGTMXBGPWSFU-UHFFFAOYSA-N 1 2 340.427 1.924 20 30 EDEDLO N#CCC1(O)C[NH+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000424129274 252134094 /nfs/dbraw/zinc/13/40/94/252134094.db2.gz CQWGJVRQDDGANU-UHFFFAOYSA-N 1 2 338.205 1.738 20 30 EDEDLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)c(C#N)cn1 ZINC000425227530 252302812 /nfs/dbraw/zinc/30/28/12/252302812.db2.gz OZNOLFCPIFGFQU-OAHLLOKOSA-N 1 2 341.459 1.831 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)C[C@H]3CCCO3)CC2)cc1 ZINC000263687178 139352879 /nfs/dbraw/zinc/35/28/79/139352879.db2.gz KLWSLJMEWMZAKV-QGZVFWFLSA-N 1 2 349.456 1.185 20 30 EDEDLO CN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)c2ccc[nH+]c21 ZINC000487088578 255025293 /nfs/dbraw/zinc/02/52/93/255025293.db2.gz AKMSLOKOWZZWAA-UHFFFAOYSA-N 1 2 332.360 1.737 20 30 EDEDLO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ncnn1CC(F)F ZINC000490183548 255080911 /nfs/dbraw/zinc/08/09/11/255080911.db2.gz ZURSKIPJNKCOSG-UHFFFAOYSA-N 1 2 348.357 1.875 20 30 EDEDLO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ncnn1CC(F)F ZINC000490183548 255080912 /nfs/dbraw/zinc/08/09/12/255080912.db2.gz ZURSKIPJNKCOSG-UHFFFAOYSA-N 1 2 348.357 1.875 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CCCC)n2CCCOCC)CC1 ZINC000491065975 255117343 /nfs/dbraw/zinc/11/73/43/255117343.db2.gz ALOZCDCKEKYODY-UHFFFAOYSA-N 1 2 333.480 1.803 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCO2)CC1 ZINC000491069410 255118259 /nfs/dbraw/zinc/11/82/59/255118259.db2.gz VXKSZJLBWQCFBC-MRXNPFEDSA-N 1 2 345.491 1.801 20 30 EDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000490713952 255101646 /nfs/dbraw/zinc/10/16/46/255101646.db2.gz MTTBMIFUSUQOGN-GOSISDBHSA-N 1 2 328.387 1.684 20 30 EDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000490713952 255101648 /nfs/dbraw/zinc/10/16/48/255101648.db2.gz MTTBMIFUSUQOGN-GOSISDBHSA-N 1 2 328.387 1.684 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000491041408 255115731 /nfs/dbraw/zinc/11/57/31/255115731.db2.gz YXLYYOIYVOMNFN-UHFFFAOYSA-N 1 2 335.335 1.199 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCn3cc[nH+]c3C2)n1 ZINC000491665402 255137582 /nfs/dbraw/zinc/13/75/82/255137582.db2.gz RVEMAQFGPIVJLZ-AWEZNQCLSA-N 1 2 326.404 1.259 20 30 EDEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000495271973 255277293 /nfs/dbraw/zinc/27/72/93/255277293.db2.gz WLJZEMRKCWNFPW-UKRRQHHQSA-N 1 2 346.431 1.913 20 30 EDEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000495271973 255277294 /nfs/dbraw/zinc/27/72/94/255277294.db2.gz WLJZEMRKCWNFPW-UKRRQHHQSA-N 1 2 346.431 1.913 20 30 EDEDLO C=CCCCNC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496069159 255348623 /nfs/dbraw/zinc/34/86/23/255348623.db2.gz RDRNNMZEMUWTSA-UHFFFAOYSA-N 1 2 340.468 1.805 20 30 EDEDLO CC(=O)N1CC[NH+](CCNc2nc3c(cc2C#N)CCCC3)CC1 ZINC000270966039 140209560 /nfs/dbraw/zinc/20/95/60/140209560.db2.gz PAHXBRNIYUBBHX-UHFFFAOYSA-N 1 2 327.432 1.408 20 30 EDEDLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC000340217621 142308128 /nfs/dbraw/zinc/30/81/28/142308128.db2.gz IPCQZLQCFDVARR-SJORKVTESA-N 1 2 345.443 1.377 20 30 EDEDLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC000340217621 142308129 /nfs/dbraw/zinc/30/81/29/142308129.db2.gz IPCQZLQCFDVARR-SJORKVTESA-N 1 2 345.443 1.377 20 30 EDEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccnc(C#N)c3)CC2)C1 ZINC000342195603 142696067 /nfs/dbraw/zinc/69/60/67/142696067.db2.gz CDCIIOBCVATUCW-HZPDHXFCSA-N 1 2 341.459 1.770 20 30 EDEDLO N#Cc1cccc(F)c1CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345649324 143116561 /nfs/dbraw/zinc/11/65/61/143116561.db2.gz ZMTIAFRVLCQWHI-OAHLLOKOSA-N 1 2 331.391 1.563 20 30 EDEDLO N#Cc1csc(CN[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000352835312 149185750 /nfs/dbraw/zinc/18/57/50/149185750.db2.gz LBDDTANKCKTYIS-WBVHZDCISA-N 1 2 342.468 1.987 20 30 EDEDLO N#Cc1csc(CN[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000352835312 149185752 /nfs/dbraw/zinc/18/57/52/149185752.db2.gz LBDDTANKCKTYIS-WBVHZDCISA-N 1 2 342.468 1.987 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)o1 ZINC000355118359 150123866 /nfs/dbraw/zinc/12/38/66/150123866.db2.gz BMLSLGRTWCAEPC-UHFFFAOYSA-N 1 2 326.356 1.655 20 30 EDEDLO N#Cc1cc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)ccc1F ZINC000355334347 150220969 /nfs/dbraw/zinc/22/09/69/150220969.db2.gz NRTXZQFHYFXQCE-UHFFFAOYSA-N 1 2 328.351 1.770 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)C(N)=O)cc1 ZINC000360061637 151896673 /nfs/dbraw/zinc/89/66/73/151896673.db2.gz SNBLWODRYRXTOT-QAPCUYQASA-N 1 2 334.379 1.480 20 30 EDEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cccc(Cl)c1C#N)CC2 ZINC000363717481 153038477 /nfs/dbraw/zinc/03/84/77/153038477.db2.gz GEEVRLNCTREYFC-UHFFFAOYSA-N 1 2 336.804 1.921 20 30 EDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 ZINC000364386617 153223845 /nfs/dbraw/zinc/22/38/45/153223845.db2.gz XGCCAAIWPKYWMB-CYBMUJFWSA-N 1 2 345.428 1.330 20 30 EDEDLO N#Cc1cccc([C@H]2CN(C(=O)NCCn3cc[nH+]c3)CCO2)c1 ZINC000367076196 154001463 /nfs/dbraw/zinc/00/14/63/154001463.db2.gz KQYJJJONVRZKLX-MRXNPFEDSA-N 1 2 325.372 1.538 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)CCO2)c1 ZINC000367129550 154017902 /nfs/dbraw/zinc/01/79/02/154017902.db2.gz UCOHIFCEHVEPGF-MRXNPFEDSA-N 1 2 335.367 1.468 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cc(=O)n4nccc4[nH]3)CCO2)c1 ZINC000367129550 154017904 /nfs/dbraw/zinc/01/79/04/154017904.db2.gz UCOHIFCEHVEPGF-MRXNPFEDSA-N 1 2 335.367 1.468 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367139842 154019429 /nfs/dbraw/zinc/01/94/29/154019429.db2.gz LYQNSRFKMBLQDN-HOTGVXAUSA-N 1 2 349.456 1.398 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367139842 154019431 /nfs/dbraw/zinc/01/94/31/154019431.db2.gz LYQNSRFKMBLQDN-HOTGVXAUSA-N 1 2 349.456 1.398 20 30 EDEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000408459041 158367181 /nfs/dbraw/zinc/36/71/81/158367181.db2.gz HICRPKBUTXIQEY-RYUDHWBXSA-N 1 2 325.409 1.552 20 30 EDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000408459041 158367183 /nfs/dbraw/zinc/36/71/83/158367183.db2.gz HICRPKBUTXIQEY-RYUDHWBXSA-N 1 2 325.409 1.552 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000111294548 287336530 /nfs/dbraw/zinc/33/65/30/287336530.db2.gz WXHPCEJOGMJXRC-INIZCTEOSA-N 1 2 326.400 1.584 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000111294548 287336531 /nfs/dbraw/zinc/33/65/31/287336531.db2.gz WXHPCEJOGMJXRC-INIZCTEOSA-N 1 2 326.400 1.584 20 30 EDEDLO N#Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161147738 225558973 /nfs/dbraw/zinc/55/89/73/225558973.db2.gz FAIHOWNJCQOKHP-UHFFFAOYSA-N 1 2 335.411 1.710 20 30 EDEDLO C[C@H]1CCN(C(=O)C(=O)Nc2sccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000294110654 269891086 /nfs/dbraw/zinc/89/10/86/269891086.db2.gz OJOHVWFKVGXKBT-WCQYABFASA-N 1 2 343.412 1.864 20 30 EDEDLO N#CCCCCS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000264138017 270008982 /nfs/dbraw/zinc/00/89/82/270008982.db2.gz NQGVJVAFZUTFDN-UHFFFAOYSA-N 1 2 346.456 1.700 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)c1 ZINC000412103940 270011740 /nfs/dbraw/zinc/01/17/40/270011740.db2.gz LYCGQTURXHMQPC-JSGCOSHPSA-N 1 2 325.206 1.496 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1 ZINC000412103940 270011741 /nfs/dbraw/zinc/01/17/41/270011741.db2.gz LYCGQTURXHMQPC-JSGCOSHPSA-N 1 2 325.206 1.496 20 30 EDEDLO C#CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000491783142 270014711 /nfs/dbraw/zinc/01/47/11/270014711.db2.gz QEBQLBSKRCIDAG-INIZCTEOSA-N 1 2 345.424 1.009 20 30 EDEDLO C#CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000491783142 270014712 /nfs/dbraw/zinc/01/47/12/270014712.db2.gz QEBQLBSKRCIDAG-INIZCTEOSA-N 1 2 345.424 1.009 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@@](=O)C1 ZINC000277359500 267059275 /nfs/dbraw/zinc/05/92/75/267059275.db2.gz GLMIVJRMPPZYQH-DJJPGOOVSA-N 1 2 345.468 1.754 20 30 EDEDLO C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[S@@](=O)C1 ZINC000277359500 267059278 /nfs/dbraw/zinc/05/92/78/267059278.db2.gz GLMIVJRMPPZYQH-DJJPGOOVSA-N 1 2 345.468 1.754 20 30 EDEDLO C[C@@H]1CSCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289159335 267072587 /nfs/dbraw/zinc/07/25/87/267072587.db2.gz DOQCNDGNMMMIMH-LBPRGKRZSA-N 1 2 325.459 1.412 20 30 EDEDLO C[C@@H]1CSCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289159335 267072591 /nfs/dbraw/zinc/07/25/91/267072591.db2.gz DOQCNDGNMMMIMH-LBPRGKRZSA-N 1 2 325.459 1.412 20 30 EDEDLO C[C@@](O)(CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000281833520 267115316 /nfs/dbraw/zinc/11/53/16/267115316.db2.gz LAOQOZCXFNJLMB-OAHLLOKOSA-N 1 2 327.350 1.989 20 30 EDEDLO C[C@@](O)(C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000281833520 267115319 /nfs/dbraw/zinc/11/53/19/267115319.db2.gz LAOQOZCXFNJLMB-OAHLLOKOSA-N 1 2 327.350 1.989 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302884599 267124857 /nfs/dbraw/zinc/12/48/57/267124857.db2.gz LVUAMGFNJBFPFM-OAHLLOKOSA-N 1 2 337.427 1.563 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000394449165 267139051 /nfs/dbraw/zinc/13/90/51/267139051.db2.gz XMFLEVVCMSAVLJ-QAPCUYQASA-N 1 2 342.443 1.682 20 30 EDEDLO C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000280938130 267175969 /nfs/dbraw/zinc/17/59/69/267175969.db2.gz PJMYUDQTAMLSBX-RLFYNMQTSA-N 1 2 340.427 1.466 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNC(=O)NCCOc2ccc(C#N)cc2)CCO1 ZINC000426059296 267203018 /nfs/dbraw/zinc/20/30/18/267203018.db2.gz HCMPESCOOUQKHS-MRXNPFEDSA-N 1 2 346.431 1.347 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCOc2ccc(C#N)cc2)CCO1 ZINC000426059296 267203021 /nfs/dbraw/zinc/20/30/21/267203021.db2.gz HCMPESCOOUQKHS-MRXNPFEDSA-N 1 2 346.431 1.347 20 30 EDEDLO C[C@@H](NC(=O)NCc1ccc(C#N)c(F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000454543632 267711589 /nfs/dbraw/zinc/71/15/89/267711589.db2.gz MBKAQMGSJDQREA-OLZOCXBDSA-N 1 2 334.395 1.606 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000448653166 268113912 /nfs/dbraw/zinc/11/39/12/268113912.db2.gz BFSIWDXWVTXATD-UHFFFAOYSA-N 1 2 325.372 1.058 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C/[C@H]3CCOC3)CC2)cc1 ZINC000493420147 268219354 /nfs/dbraw/zinc/21/93/54/268219354.db2.gz NFMRXZMOCHSVII-QWNKOJSDSA-N 1 2 325.412 1.795 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428770702 268262390 /nfs/dbraw/zinc/26/23/90/268262390.db2.gz GBJBWPBDUBZZOA-WMZOPIPTSA-N 1 2 347.378 1.505 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428770702 268262393 /nfs/dbraw/zinc/26/23/93/268262393.db2.gz GBJBWPBDUBZZOA-WMZOPIPTSA-N 1 2 347.378 1.505 20 30 EDEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)c1 ZINC000526300786 268283307 /nfs/dbraw/zinc/28/33/07/268283307.db2.gz HIKSXSPDJACKKT-UHFFFAOYSA-N 1 2 338.411 1.964 20 30 EDEDLO N#Cc1ccnc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000289042141 268288727 /nfs/dbraw/zinc/28/87/27/268288727.db2.gz KJCKHFPUMSIGNN-UHFFFAOYSA-N 1 2 346.394 1.559 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496410954 268291014 /nfs/dbraw/zinc/29/10/14/268291014.db2.gz NLLAZMHJUAFVOD-LBPRGKRZSA-N 1 2 330.344 1.741 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496410954 268291016 /nfs/dbraw/zinc/29/10/16/268291016.db2.gz NLLAZMHJUAFVOD-LBPRGKRZSA-N 1 2 330.344 1.741 20 30 EDEDLO COc1cnccc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328867474 278076945 /nfs/dbraw/zinc/07/69/45/278076945.db2.gz GYBKCYCQDSYKHZ-CFVMTHIKSA-N 1 2 334.420 1.470 20 30 EDEDLO COc1cnccc1[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328867474 278076946 /nfs/dbraw/zinc/07/69/46/278076946.db2.gz GYBKCYCQDSYKHZ-CFVMTHIKSA-N 1 2 334.420 1.470 20 30 EDEDLO C[C@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[C@@H]1CCCOC1 ZINC000329510235 279180860 /nfs/dbraw/zinc/18/08/60/279180860.db2.gz MOWUHTUQUDNVQG-QWHCGFSZSA-N 1 2 326.441 1.647 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000497051569 289204076 /nfs/dbraw/zinc/20/40/76/289204076.db2.gz DAAJRCHEKWBYTB-QGZVFWFLSA-N 1 2 338.452 1.736 20 30 EDEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)O1 ZINC000328866690 297376326 /nfs/dbraw/zinc/37/63/26/297376326.db2.gz ZWQKHAFRBWGQIW-NHIYQJMISA-N 1 2 328.478 1.964 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CCN1C ZINC000280134841 302996689 /nfs/dbraw/zinc/99/66/89/302996689.db2.gz BMLQFWFVTQCIAU-HNNXBMFYSA-N 1 2 326.360 1.693 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@@H](NC(=O)CC(C)(C)C#N)CCC(=O)N1C1CC1 ZINC000345056323 303031421 /nfs/dbraw/zinc/03/14/21/303031421.db2.gz JMWYHDOHWDQBLK-SUMWQHHRSA-N 1 2 343.431 1.671 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCS(=O)(=O)[C@H]4CCCC[C@H]43)n2c1 ZINC000539831513 306037749 /nfs/dbraw/zinc/03/77/49/306037749.db2.gz CATSLZYUHOLBMW-CVEARBPZSA-N 1 2 344.440 1.748 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1C#N ZINC000555429856 306202350 /nfs/dbraw/zinc/20/23/50/306202350.db2.gz KKFOEKUWMASMKO-UHFFFAOYSA-N 1 2 326.360 1.522 20 30 EDEDLO Cn1cc(I)c(C[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC000449602376 447378468 /nfs/dbraw/zinc/37/84/68/447378468.db2.gz CUWCOGXONNEZAN-RKDXNWHRSA-N 1 2 330.173 1.807 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000377858238 447379505 /nfs/dbraw/zinc/37/95/05/447379505.db2.gz XDFYDVPBILDQTF-AWEZNQCLSA-N 1 2 329.466 1.053 20 30 EDEDLO Cc1cc(C#N)cc(NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000377998111 447395707 /nfs/dbraw/zinc/39/57/07/447395707.db2.gz GMZFZVZVDQMFHZ-GJZGRUSLSA-N 1 2 328.395 2.020 20 30 EDEDLO N#CCC[C@H](C#N)CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000070869221 441124122 /nfs/dbraw/zinc/12/41/22/441124122.db2.gz UVLRTNPTKHKWNL-QGZVFWFLSA-N 1 2 331.464 1.450 20 30 EDEDLO COc1cc(OC)c(CNC(=O)C[NH+]2CCC(C#N)CC2)c(OC)c1 ZINC000057874268 441139805 /nfs/dbraw/zinc/13/98/05/441139805.db2.gz NXCIAMWMVCXNFV-UHFFFAOYSA-N 1 2 347.415 1.564 20 30 EDEDLO COc1cc(NC(=O)C[NH+]2CCC(C#N)CC2)cc(OC)c1OC ZINC000057880022 441140034 /nfs/dbraw/zinc/14/00/34/441140034.db2.gz MOBHXLZXFDLFBL-UHFFFAOYSA-N 1 2 333.388 1.886 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000016432013 441223207 /nfs/dbraw/zinc/22/32/07/441223207.db2.gz TYNFEMLFBURZFW-UHFFFAOYSA-N 1 2 348.403 1.023 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047797387 441227812 /nfs/dbraw/zinc/22/78/12/441227812.db2.gz LAQXEOVRUSSYSI-GFCCVEGCSA-N 1 2 334.366 1.997 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CCO1 ZINC000106043172 441325626 /nfs/dbraw/zinc/32/56/26/441325626.db2.gz BFEGTZMWWMIZNJ-CVEARBPZSA-N 1 2 331.441 1.527 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000063589928 441339023 /nfs/dbraw/zinc/33/90/23/441339023.db2.gz JJVMDCJEXGLRBC-UHFFFAOYSA-N 1 2 338.429 1.033 20 30 EDEDLO CC(C)OCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000050275857 441379937 /nfs/dbraw/zinc/37/99/37/441379937.db2.gz FCINQBHZRXFNHJ-UHFFFAOYSA-N 1 2 337.445 1.290 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000026765384 441383947 /nfs/dbraw/zinc/38/39/47/441383947.db2.gz SGCSFIALVGPJJH-GFCCVEGCSA-N 1 2 325.865 1.657 20 30 EDEDLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000084180314 441385202 /nfs/dbraw/zinc/38/52/02/441385202.db2.gz CJILNCYRCNLRIK-UHFFFAOYSA-N 1 2 348.472 1.682 20 30 EDEDLO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000084180314 441385206 /nfs/dbraw/zinc/38/52/06/441385206.db2.gz CJILNCYRCNLRIK-UHFFFAOYSA-N 1 2 348.472 1.682 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083425070 441360862 /nfs/dbraw/zinc/36/08/62/441360862.db2.gz CYLLQXJLDQYBDY-HNNXBMFYSA-N 1 2 325.372 1.770 20 30 EDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000027566283 441407002 /nfs/dbraw/zinc/40/70/02/441407002.db2.gz QKPLVIZYPMJGEE-AWEZNQCLSA-N 1 2 334.807 1.703 20 30 EDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000027566283 441407004 /nfs/dbraw/zinc/40/70/04/441407004.db2.gz QKPLVIZYPMJGEE-AWEZNQCLSA-N 1 2 334.807 1.703 20 30 EDEDLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2cc(C)nn2C)cc1 ZINC000085260996 441431466 /nfs/dbraw/zinc/43/14/66/441431466.db2.gz CZZDHLGNAQAVPT-UHFFFAOYSA-N 1 2 331.376 1.207 20 30 EDEDLO C#CCOc1cc(F)ccc1NCC(=O)N1CC[NH+](CC#C)CC1 ZINC000085278695 441432267 /nfs/dbraw/zinc/43/22/67/441432267.db2.gz VYJZQYBTGZLLMA-UHFFFAOYSA-N 1 2 329.375 1.027 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000052189381 441438029 /nfs/dbraw/zinc/43/80/29/441438029.db2.gz KZHILYWQALPNDO-UHFFFAOYSA-N 1 2 333.399 1.952 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000052836329 441478167 /nfs/dbraw/zinc/47/81/67/441478167.db2.gz OIXMBVBVUPTGJO-DOTOQJQBSA-N 1 2 342.443 1.558 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000052836329 441478172 /nfs/dbraw/zinc/47/81/72/441478172.db2.gz OIXMBVBVUPTGJO-DOTOQJQBSA-N 1 2 342.443 1.558 20 30 EDEDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450332 441460105 /nfs/dbraw/zinc/46/01/05/441460105.db2.gz DGKQCLOOXXUJIX-LSDHHAIUSA-N 1 2 329.448 1.769 20 30 EDEDLO C#CC[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538946 441542219 /nfs/dbraw/zinc/54/22/19/441542219.db2.gz CTQZNMLXLAENLM-OAHLLOKOSA-N 1 2 338.404 1.277 20 30 EDEDLO C#CC[N@H+](CCC(=O)Nc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066538946 441542222 /nfs/dbraw/zinc/54/22/22/441542222.db2.gz CTQZNMLXLAENLM-OAHLLOKOSA-N 1 2 338.404 1.277 20 30 EDEDLO C#CCN(CC#C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000076185264 441607272 /nfs/dbraw/zinc/60/72/72/441607272.db2.gz TXELYWJNPGJPFG-UHFFFAOYSA-N 1 2 325.412 1.026 20 30 EDEDLO C#CC[NH+](CC#C)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000076185636 441607526 /nfs/dbraw/zinc/60/75/26/441607526.db2.gz TXYKXESQMFLFQC-GOSISDBHSA-N 1 2 340.423 1.936 20 30 EDEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000055220311 441631252 /nfs/dbraw/zinc/63/12/52/441631252.db2.gz KBLUKUWQULIUFX-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO C=C(C)COc1cccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000067489114 441645863 /nfs/dbraw/zinc/64/58/63/441645863.db2.gz VKQRYPAHDQTPIX-UHFFFAOYSA-N 1 2 342.399 1.983 20 30 EDEDLO CC[N@H+](CCOc1ccc(C#N)cc1OC)[C@@H](C)CS(C)(=O)=O ZINC000077312910 441752428 /nfs/dbraw/zinc/75/24/28/441752428.db2.gz MOZPGEFZRDLLJN-ZDUSSCGKSA-N 1 2 340.445 1.701 20 30 EDEDLO CC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@@H](C)CS(C)(=O)=O ZINC000077312910 441752433 /nfs/dbraw/zinc/75/24/33/441752433.db2.gz MOZPGEFZRDLLJN-ZDUSSCGKSA-N 1 2 340.445 1.701 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000042331487 441725130 /nfs/dbraw/zinc/72/51/30/441725130.db2.gz IRPRJDKHHMEGMQ-JKSUJKDBSA-N 1 2 337.464 1.123 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121809467 441785136 /nfs/dbraw/zinc/78/51/36/441785136.db2.gz UYTRYTHAJVPWMS-GFCCVEGCSA-N 1 2 335.429 1.797 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121809467 441785138 /nfs/dbraw/zinc/78/51/38/441785138.db2.gz UYTRYTHAJVPWMS-GFCCVEGCSA-N 1 2 335.429 1.797 20 30 EDEDLO CC(C)(C)NC(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000138961875 441801097 /nfs/dbraw/zinc/80/10/97/441801097.db2.gz RQZKOGKVEPLARK-UHFFFAOYSA-N 1 2 333.436 1.624 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(O)CC1 ZINC000139173836 441807540 /nfs/dbraw/zinc/80/75/40/441807540.db2.gz NVLYXLODFBDDGZ-UHFFFAOYSA-N 1 2 325.372 1.139 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000116306602 441809574 /nfs/dbraw/zinc/80/95/74/441809574.db2.gz BDJLYOSQCGSAFU-UHFFFAOYSA-N 1 2 349.866 1.615 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(C(=O)c3cccc(CC#N)c3)CC2)C(=O)C1 ZINC000378568534 447442883 /nfs/dbraw/zinc/44/28/83/447442883.db2.gz DUJNCVJJEACSAW-UHFFFAOYSA-N 1 2 340.427 1.131 20 30 EDEDLO C[N@H+]1CCN(C2CCN(C(=O)c3cccc(CC#N)c3)CC2)C(=O)C1 ZINC000378568534 447442884 /nfs/dbraw/zinc/44/28/84/447442884.db2.gz DUJNCVJJEACSAW-UHFFFAOYSA-N 1 2 340.427 1.131 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000143769168 441875444 /nfs/dbraw/zinc/87/54/44/441875444.db2.gz XFRJTLRMGITJDL-UHFFFAOYSA-N 1 2 330.388 1.060 20 30 EDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 ZINC000161143233 441962623 /nfs/dbraw/zinc/96/26/23/441962623.db2.gz JMSVXBHKOLQGDZ-AWEZNQCLSA-N 1 2 328.397 1.951 20 30 EDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 ZINC000161143233 441962630 /nfs/dbraw/zinc/96/26/30/441962630.db2.gz JMSVXBHKOLQGDZ-AWEZNQCLSA-N 1 2 328.397 1.951 20 30 EDEDLO C#CCOCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000161583652 442013806 /nfs/dbraw/zinc/01/38/06/442013806.db2.gz XCGGLGPPXKPXLV-KRWDZBQOSA-N 1 2 327.384 1.674 20 30 EDEDLO Cn1ccnc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)c1=O ZINC000426440408 447445188 /nfs/dbraw/zinc/44/51/88/447445188.db2.gz PDLHVYNCIFRCDI-UHFFFAOYSA-N 1 2 342.830 1.607 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069868417 442061874 /nfs/dbraw/zinc/06/18/74/442061874.db2.gz XLJQMSDEFJEPJB-OAHLLOKOSA-N 1 2 349.456 1.291 20 30 EDEDLO CC(=O)N(C)C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000176218309 442194044 /nfs/dbraw/zinc/19/40/44/442194044.db2.gz WRPKEUYWSLEFBB-UHFFFAOYSA-N 1 2 349.456 1.275 20 30 EDEDLO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3cc(C#N)cs3)C2)CC1 ZINC000176308839 442208659 /nfs/dbraw/zinc/20/86/59/442208659.db2.gz RXKNQMKKFYBRSY-OAHLLOKOSA-N 1 2 332.473 1.862 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000166347730 442215829 /nfs/dbraw/zinc/21/58/29/442215829.db2.gz UKGZBIMAYBZMNX-GOSISDBHSA-N 1 2 346.431 1.528 20 30 EDEDLO N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000154126015 442322781 /nfs/dbraw/zinc/32/27/81/442322781.db2.gz YOSLOUVGQZJNKZ-MRXNPFEDSA-N 1 2 349.394 1.677 20 30 EDEDLO CN1CC[NH+]([C@H](C(=O)N2CCC(C#N)CC2)c2ccccc2)CC1 ZINC000171680314 442369407 /nfs/dbraw/zinc/36/94/07/442369407.db2.gz CRYSRTSGCAALOY-SFHVURJKSA-N 1 2 326.444 1.737 20 30 EDEDLO CC(=O)Nc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000154805674 442357945 /nfs/dbraw/zinc/35/79/45/442357945.db2.gz POHSQJLGEDAPOX-UHFFFAOYSA-N 1 2 330.432 1.693 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCOCC(F)(F)F ZINC000155715264 442421818 /nfs/dbraw/zinc/42/18/18/442421818.db2.gz NOPJKOIHZKGNMX-NSHDSACASA-N 1 2 329.326 1.438 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCOCC(F)(F)F ZINC000155715264 442421819 /nfs/dbraw/zinc/42/18/19/442421819.db2.gz NOPJKOIHZKGNMX-NSHDSACASA-N 1 2 329.326 1.438 20 30 EDEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000157071547 442547301 /nfs/dbraw/zinc/54/73/01/442547301.db2.gz KKYDOVHEAVXXCD-RDJZCZTQSA-N 1 2 341.415 1.458 20 30 EDEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000157071547 442547308 /nfs/dbraw/zinc/54/73/08/442547308.db2.gz KKYDOVHEAVXXCD-RDJZCZTQSA-N 1 2 341.415 1.458 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000157426227 442582649 /nfs/dbraw/zinc/58/26/49/442582649.db2.gz KIVRZHVIGSVBMZ-CYBMUJFWSA-N 1 2 349.504 1.890 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](C)CCNC(=O)C(C)C)c(C#N)c1C ZINC000157431067 442583644 /nfs/dbraw/zinc/58/36/44/442583644.db2.gz VBPVOUDZNUUVFW-UHFFFAOYSA-N 1 2 336.461 1.879 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](C)CCNC(=O)C(C)C)c(C#N)c1C ZINC000157431067 442583648 /nfs/dbraw/zinc/58/36/48/442583648.db2.gz VBPVOUDZNUUVFW-UHFFFAOYSA-N 1 2 336.461 1.879 20 30 EDEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000180352815 442585354 /nfs/dbraw/zinc/58/53/54/442585354.db2.gz VLAXOIRBAKXZJM-CYBMUJFWSA-N 1 2 342.378 1.194 20 30 EDEDLO CCOCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193768764 442783445 /nfs/dbraw/zinc/78/34/45/442783445.db2.gz PQOHODNORPDZOV-HNNXBMFYSA-N 1 2 345.447 1.007 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](n3cncn3)C2)C1=O ZINC000246483424 442784734 /nfs/dbraw/zinc/78/47/34/442784734.db2.gz OVSIZQGZYAZYSQ-KGLIPLIRSA-N 1 2 342.428 1.654 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](n3cncn3)C2)C1=O ZINC000246483424 442784735 /nfs/dbraw/zinc/78/47/35/442784735.db2.gz OVSIZQGZYAZYSQ-KGLIPLIRSA-N 1 2 342.428 1.654 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000188805931 442818205 /nfs/dbraw/zinc/81/82/05/442818205.db2.gz OHNCBSWWRXYNRG-CYBMUJFWSA-N 1 2 337.445 1.024 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CC[N@H+]1CC(C)(C)O ZINC000188805931 442818207 /nfs/dbraw/zinc/81/82/07/442818207.db2.gz OHNCBSWWRXYNRG-CYBMUJFWSA-N 1 2 337.445 1.024 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000265825226 442936028 /nfs/dbraw/zinc/93/60/28/442936028.db2.gz BMZIKGJBMALRFI-UHFFFAOYSA-N 1 2 330.413 1.806 20 30 EDEDLO CCOC1CC(CNC(=O)C2(C#N)CCCC2)([NH+]2CCOCC2)C1 ZINC000195188628 442995456 /nfs/dbraw/zinc/99/54/56/442995456.db2.gz JRMJOZCMWAWYHW-UHFFFAOYSA-N 1 2 335.448 1.456 20 30 EDEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000268527927 443021748 /nfs/dbraw/zinc/02/17/48/443021748.db2.gz DTIVWWNRTAHFIC-HNNXBMFYSA-N 1 2 342.436 1.459 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\c1cncc(F)c1 ZINC000255224870 443090946 /nfs/dbraw/zinc/09/09/46/443090946.db2.gz OIZRGSZRHFLDQJ-IHWYPQMZSA-N 1 2 332.379 1.308 20 30 EDEDLO CCN(CC)C(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268640108 443061631 /nfs/dbraw/zinc/06/16/31/443061631.db2.gz DJWGSIATILMDMA-KRWDZBQOSA-N 1 2 330.432 1.671 20 30 EDEDLO CN(C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000190618738 443150238 /nfs/dbraw/zinc/15/02/38/443150238.db2.gz UATIENVHAASCQA-UHFFFAOYSA-N 1 2 334.395 1.930 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCN1CC(F)F ZINC000245703595 443244662 /nfs/dbraw/zinc/24/46/62/443244662.db2.gz CTXCMPTWTFUNLV-XJKSGUPXSA-N 1 2 330.423 1.702 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CCN1CC(F)F ZINC000245703595 443244669 /nfs/dbraw/zinc/24/46/69/443244669.db2.gz CTXCMPTWTFUNLV-XJKSGUPXSA-N 1 2 330.423 1.702 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245740988 443247284 /nfs/dbraw/zinc/24/72/84/443247284.db2.gz LRJAVIQJTDSVBM-KDOFPFPSSA-N 1 2 344.463 1.916 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245740988 443247289 /nfs/dbraw/zinc/24/72/89/443247289.db2.gz LRJAVIQJTDSVBM-KDOFPFPSSA-N 1 2 344.463 1.916 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245798433 443250102 /nfs/dbraw/zinc/25/01/02/443250102.db2.gz YQCUGTAISCYSJF-DZGCQCFKSA-N 1 2 344.463 1.870 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245798433 443250105 /nfs/dbraw/zinc/25/01/05/443250105.db2.gz YQCUGTAISCYSJF-DZGCQCFKSA-N 1 2 344.463 1.870 20 30 EDEDLO Cn1cc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1C#N ZINC000191195101 443257012 /nfs/dbraw/zinc/25/70/12/443257012.db2.gz CEBGKXZGQQEFPI-UHFFFAOYSA-N 1 2 343.475 1.417 20 30 EDEDLO Cn1cc(C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)cc1C#N ZINC000191195101 443257016 /nfs/dbraw/zinc/25/70/16/443257016.db2.gz CEBGKXZGQQEFPI-UHFFFAOYSA-N 1 2 343.475 1.417 20 30 EDEDLO COCC[N@H+](CCO)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000264239232 443255730 /nfs/dbraw/zinc/25/57/30/443255730.db2.gz ALSMZTNEWPTZDW-UHFFFAOYSA-N 1 2 333.432 1.491 20 30 EDEDLO COCC[N@@H+](CCO)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000264239232 443255734 /nfs/dbraw/zinc/25/57/34/443255734.db2.gz ALSMZTNEWPTZDW-UHFFFAOYSA-N 1 2 333.432 1.491 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000264426528 443288272 /nfs/dbraw/zinc/28/82/72/443288272.db2.gz BKYNGCLELMLMDL-UHFFFAOYSA-N 1 2 339.355 1.889 20 30 EDEDLO COC(=O)NCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000264436376 443291745 /nfs/dbraw/zinc/29/17/45/443291745.db2.gz MFBMFMAEOJCLKT-UHFFFAOYSA-N 1 2 344.415 1.339 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000266953177 443302009 /nfs/dbraw/zinc/30/20/09/443302009.db2.gz UYKBKBDBPGHSDU-CQSZACIVSA-N 1 2 333.413 1.477 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000266953177 443302012 /nfs/dbraw/zinc/30/20/12/443302012.db2.gz UYKBKBDBPGHSDU-CQSZACIVSA-N 1 2 333.413 1.477 20 30 EDEDLO CC[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)CO1 ZINC000625511342 450401549 /nfs/dbraw/zinc/40/15/49/450401549.db2.gz DCXLLTZZDUITKZ-LSDHHAIUSA-N 1 2 326.396 1.785 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C)CO1 ZINC000625511342 450401553 /nfs/dbraw/zinc/40/15/53/450401553.db2.gz DCXLLTZZDUITKZ-LSDHHAIUSA-N 1 2 326.396 1.785 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000278557139 443362059 /nfs/dbraw/zinc/36/20/59/443362059.db2.gz PFPHWITYRPVJQL-YXJHDRRASA-N 1 2 345.443 1.904 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCC(=O)N(CC(C)C)C2CC2)cc1OC ZINC000267182834 443369813 /nfs/dbraw/zinc/36/98/13/443369813.db2.gz ZLYVEPMIUJQENZ-UHFFFAOYSA-N 1 2 349.431 1.988 20 30 EDEDLO C#CCC(CC#C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000278897598 443472477 /nfs/dbraw/zinc/47/24/77/443472477.db2.gz PMBYBJBNNQOURS-HNNXBMFYSA-N 1 2 325.412 1.586 20 30 EDEDLO C=CCc1cc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)cc(OC)c1O ZINC000271187231 443495258 /nfs/dbraw/zinc/49/52/58/443495258.db2.gz NITASWJWEJANGA-UHFFFAOYSA-N 1 2 347.459 1.511 20 30 EDEDLO C=CCc1cc(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)cc(OC)c1O ZINC000271187231 443495261 /nfs/dbraw/zinc/49/52/61/443495261.db2.gz NITASWJWEJANGA-UHFFFAOYSA-N 1 2 347.459 1.511 20 30 EDEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000283014460 443496355 /nfs/dbraw/zinc/49/63/55/443496355.db2.gz JIHVZEGXFLAQOY-UHFFFAOYSA-N 1 2 336.395 1.920 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267563262 443498072 /nfs/dbraw/zinc/49/80/72/443498072.db2.gz OLKPXQGPIFSTDK-NSHDSACASA-N 1 2 341.346 1.765 20 30 EDEDLO COC(=O)C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000267757932 443567396 /nfs/dbraw/zinc/56/73/96/443567396.db2.gz FIQZSRVHXAZWOL-HNNXBMFYSA-N 1 2 331.372 1.151 20 30 EDEDLO COC(=O)C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000267757932 443567399 /nfs/dbraw/zinc/56/73/99/443567399.db2.gz FIQZSRVHXAZWOL-HNNXBMFYSA-N 1 2 331.372 1.151 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C)CC1 ZINC000283246759 443573797 /nfs/dbraw/zinc/57/37/97/443573797.db2.gz SRRVGVZABFEYIO-AWEZNQCLSA-N 1 2 343.406 1.849 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000267830787 443591395 /nfs/dbraw/zinc/59/13/95/443591395.db2.gz QWTFCAVASNKYQI-MRXNPFEDSA-N 1 2 327.384 1.374 20 30 EDEDLO COCCOCCO[NH+]=C(N)c1cc(Cl)c(OC)c(OC)c1 ZINC000273602147 443582629 /nfs/dbraw/zinc/58/26/29/443582629.db2.gz ZABHABRFYSZTJE-UHFFFAOYSA-N 1 2 332.784 1.657 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000265144690 443549057 /nfs/dbraw/zinc/54/90/57/443549057.db2.gz JGUQALOVTAONFC-UHFFFAOYSA-N 1 2 345.443 1.609 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000265144690 443549059 /nfs/dbraw/zinc/54/90/59/443549059.db2.gz JGUQALOVTAONFC-UHFFFAOYSA-N 1 2 345.443 1.609 20 30 EDEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000275642540 443635631 /nfs/dbraw/zinc/63/56/31/443635631.db2.gz KCIMNDUTWAIPTA-HNNXBMFYSA-N 1 2 329.448 1.860 20 30 EDEDLO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000275642540 443635633 /nfs/dbraw/zinc/63/56/33/443635633.db2.gz KCIMNDUTWAIPTA-HNNXBMFYSA-N 1 2 329.448 1.860 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000276085376 443651152 /nfs/dbraw/zinc/65/11/52/443651152.db2.gz XKJQFGQIBZZNKB-KSSFIOAISA-N 1 2 347.463 1.320 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000276085376 443651155 /nfs/dbraw/zinc/65/11/55/443651155.db2.gz XKJQFGQIBZZNKB-KSSFIOAISA-N 1 2 347.463 1.320 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCCCCC#N)c1C ZINC000286659978 443719430 /nfs/dbraw/zinc/71/94/30/443719430.db2.gz HBCWNGLPDWGJBP-UHFFFAOYSA-N 1 2 332.404 1.476 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000280804186 443746636 /nfs/dbraw/zinc/74/66/36/443746636.db2.gz WEUAYMICNNHGSI-UHFFFAOYSA-N 1 2 344.839 1.950 20 30 EDEDLO Cc1cncc(CCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000292188758 443783152 /nfs/dbraw/zinc/78/31/52/443783152.db2.gz HPFPAIFSHSAGHT-UHFFFAOYSA-N 1 2 330.432 1.397 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)NCC[NH+]1CCOCC1 ZINC000298513755 443787862 /nfs/dbraw/zinc/78/78/62/443787862.db2.gz QBJFRPCLWZBBGA-UHFFFAOYSA-N 1 2 347.415 1.174 20 30 EDEDLO CON(C)C(=O)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000291783590 443767043 /nfs/dbraw/zinc/76/70/43/443767043.db2.gz MJDSANWCJODYCJ-UHFFFAOYSA-N 1 2 336.417 1.290 20 30 EDEDLO C=CCNC(=O)C[NH+](CCCc1ccccc1)CC(=O)NCC=C ZINC000298451465 443772104 /nfs/dbraw/zinc/77/21/04/443772104.db2.gz VJONAWQNVXVGMP-UHFFFAOYSA-N 1 2 329.444 1.526 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000284491670 443776429 /nfs/dbraw/zinc/77/64/29/443776429.db2.gz RSRRQTLQWDIQNQ-KRWDZBQOSA-N 1 2 345.443 1.038 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000284491670 443776433 /nfs/dbraw/zinc/77/64/33/443776433.db2.gz RSRRQTLQWDIQNQ-KRWDZBQOSA-N 1 2 345.443 1.038 20 30 EDEDLO Cc1noc([C@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCN2C)n1 ZINC000284490982 443776987 /nfs/dbraw/zinc/77/69/87/443776987.db2.gz AZVYQKCBDVCAKF-MRXNPFEDSA-N 1 2 327.388 1.617 20 30 EDEDLO Cc1noc([C@H]2C[N@H+](CCOc3cccc(C#N)c3)CCN2C)n1 ZINC000284490982 443776993 /nfs/dbraw/zinc/77/69/93/443776993.db2.gz AZVYQKCBDVCAKF-MRXNPFEDSA-N 1 2 327.388 1.617 20 30 EDEDLO C[C@H]1C[N@H+](CC#Cc2ccccc2)CCN1c1nccn2cnnc12 ZINC000277041384 443892786 /nfs/dbraw/zinc/89/27/86/443892786.db2.gz TYWZKRCRUCUMRV-INIZCTEOSA-N 1 2 332.411 1.687 20 30 EDEDLO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CCN1c1nccn2cnnc12 ZINC000277041384 443892789 /nfs/dbraw/zinc/89/27/89/443892789.db2.gz TYWZKRCRUCUMRV-INIZCTEOSA-N 1 2 332.411 1.687 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2cccnc2C#N)c1C ZINC000277050603 443896643 /nfs/dbraw/zinc/89/66/43/443896643.db2.gz QDJBZOSUBZXBKM-UHFFFAOYSA-N 1 2 346.412 1.794 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000285232701 443905348 /nfs/dbraw/zinc/90/53/48/443905348.db2.gz VRDWVTOJLYMBLL-IBGZPJMESA-N 1 2 344.459 1.873 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1=O ZINC000281518937 443933846 /nfs/dbraw/zinc/93/38/46/443933846.db2.gz ZFHGBFZYULSGRY-IUODEOHRSA-N 1 2 344.415 1.814 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1=O ZINC000281518937 443933848 /nfs/dbraw/zinc/93/38/48/443933848.db2.gz ZFHGBFZYULSGRY-IUODEOHRSA-N 1 2 344.415 1.814 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(C)cc(C)cc2OC)CC1 ZINC000277538822 444003693 /nfs/dbraw/zinc/00/36/93/444003693.db2.gz POCSKZDGBDBBRN-UHFFFAOYSA-N 1 2 336.457 1.642 20 30 EDEDLO N#CCCOCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000293555240 444053149 /nfs/dbraw/zinc/05/31/49/444053149.db2.gz RLRSNIFDDSJNRH-UHFFFAOYSA-N 1 2 341.408 1.062 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000554595278 320956183 /nfs/dbraw/zinc/95/61/83/320956183.db2.gz QIHLONSEXNKOGH-UHFFFAOYSA-N 1 2 339.399 1.736 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000566115456 321217048 /nfs/dbraw/zinc/21/70/48/321217048.db2.gz QBYXOQHOQBACAY-OAHLLOKOSA-N 1 2 330.413 1.722 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000566115456 321217049 /nfs/dbraw/zinc/21/70/49/321217049.db2.gz QBYXOQHOQBACAY-OAHLLOKOSA-N 1 2 330.413 1.722 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000285803585 444112450 /nfs/dbraw/zinc/11/24/50/444112450.db2.gz FWPFKJALKUTLGK-WBAXXEDZSA-N 1 2 343.427 1.567 20 30 EDEDLO COC(=O)Cn1ncc2c1nc[nH+]c2NCc1ccc(C#N)cc1F ZINC000301313782 444163130 /nfs/dbraw/zinc/16/31/30/444163130.db2.gz KPKJCONTGDIBES-UHFFFAOYSA-N 1 2 340.318 1.622 20 30 EDEDLO C#CCCOc1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000296280520 444217250 /nfs/dbraw/zinc/21/72/50/444217250.db2.gz MSMMSEYFKQISNB-MRXNPFEDSA-N 1 2 330.428 1.881 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1 ZINC000296050163 444201064 /nfs/dbraw/zinc/20/10/64/444201064.db2.gz ILEKGNJABJZAPW-OAHLLOKOSA-N 1 2 336.395 1.950 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000297463719 444289203 /nfs/dbraw/zinc/28/92/03/444289203.db2.gz IHSAYPFSUIKSQN-UHFFFAOYSA-N 1 2 331.416 1.866 20 30 EDEDLO Cc1nc(N2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000578196478 321737056 /nfs/dbraw/zinc/73/70/56/321737056.db2.gz JURYOZYTQBONDG-UHFFFAOYSA-N 1 2 338.371 1.887 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000330990797 444349567 /nfs/dbraw/zinc/34/95/67/444349567.db2.gz SHSALWJHZVPANM-RDBSUJKOSA-N 1 2 343.493 1.395 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000330990797 444349570 /nfs/dbraw/zinc/34/95/70/444349570.db2.gz SHSALWJHZVPANM-RDBSUJKOSA-N 1 2 343.493 1.395 20 30 EDEDLO C[C@@](O)(CNC(=O)c1coc(C2CCCC2)n1)C[NH+]1CCOCC1 ZINC000328785948 444352164 /nfs/dbraw/zinc/35/21/64/444352164.db2.gz WJAHJSVGSVNDOC-QGZVFWFLSA-N 1 2 337.420 1.720 20 30 EDEDLO CCN(C)C(=O)[C@@H](C)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000331000969 444353951 /nfs/dbraw/zinc/35/39/51/444353951.db2.gz FKATUXOULBZCFV-CYBMUJFWSA-N 1 2 338.477 1.647 20 30 EDEDLO C[C@H](C(=O)NCC(C)(C)N1CCS(=O)CC1)[NH+]1CCSCC1 ZINC000328941127 444413832 /nfs/dbraw/zinc/41/38/32/444413832.db2.gz HWEACKJJHRNOHC-CYBMUJFWSA-N 1 2 347.550 1.223 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(=O)NC3CC3)CC[C@@H]21 ZINC000328955726 444421992 /nfs/dbraw/zinc/42/19/92/444421992.db2.gz JAHBDGAYYPRNBV-UHTWSYAYSA-N 1 2 337.424 1.489 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC(=O)NC3CC3)CC[C@@H]21 ZINC000328955726 444421994 /nfs/dbraw/zinc/42/19/94/444421994.db2.gz JAHBDGAYYPRNBV-UHTWSYAYSA-N 1 2 337.424 1.489 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnc(C(C)(C)C)nc3)C[C@@H]21 ZINC000328959937 444423865 /nfs/dbraw/zinc/42/38/65/444423865.db2.gz QECZMVFVWWWCBO-UONOGXRCSA-N 1 2 333.436 1.725 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnc(C(C)(C)C)nc3)C[C@@H]21 ZINC000328959937 444423868 /nfs/dbraw/zinc/42/38/68/444423868.db2.gz QECZMVFVWWWCBO-UONOGXRCSA-N 1 2 333.436 1.725 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC3)C[C@H]21 ZINC000328894547 444392038 /nfs/dbraw/zinc/39/20/38/444392038.db2.gz UXCDGOBLRPXJOC-IXYNUQLISA-N 1 2 336.436 1.203 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC3)C[C@H]21 ZINC000328894547 444392042 /nfs/dbraw/zinc/39/20/42/444392042.db2.gz UXCDGOBLRPXJOC-IXYNUQLISA-N 1 2 336.436 1.203 20 30 EDEDLO COC[C@@H]1CCN(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000337824134 444425741 /nfs/dbraw/zinc/42/57/41/444425741.db2.gz SCEOBRIVNRMJIR-GOSISDBHSA-N 1 2 342.443 1.764 20 30 EDEDLO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000329043664 444455814 /nfs/dbraw/zinc/45/58/14/444455814.db2.gz UFKYQZQMZGKBEU-ARFHVFGLSA-N 1 2 349.479 1.573 20 30 EDEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CCOC(C)(C)C2)CCO1 ZINC000331256585 444458512 /nfs/dbraw/zinc/45/85/12/444458512.db2.gz ZSHVANPBXPGEIF-CHWSQXEVSA-N 1 2 342.440 1.026 20 30 EDEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CCOC(C)(C)C2)CCO1 ZINC000331256585 444458513 /nfs/dbraw/zinc/45/85/13/444458513.db2.gz ZSHVANPBXPGEIF-CHWSQXEVSA-N 1 2 342.440 1.026 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)N(C)[C@@H](C)CO)CC1 ZINC000331284571 444461994 /nfs/dbraw/zinc/46/19/94/444461994.db2.gz FUZYFXYNRXTIOU-AWEZNQCLSA-N 1 2 348.447 1.209 20 30 EDEDLO Cc1ccc2nc(CNC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)cn2c1 ZINC000329076855 444466380 /nfs/dbraw/zinc/46/63/80/444466380.db2.gz CIAKKKRHOUNDOL-CVEARBPZSA-N 1 2 343.431 1.462 20 30 EDEDLO Cc1ccc2nc(CNC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)cn2c1 ZINC000329076855 444466384 /nfs/dbraw/zinc/46/63/84/444466384.db2.gz CIAKKKRHOUNDOL-CVEARBPZSA-N 1 2 343.431 1.462 20 30 EDEDLO C[C@H](NC(=O)Nc1ccn(CC(F)F)n1)[C@H](C)[NH+]1CCOCC1 ZINC000331182525 444434630 /nfs/dbraw/zinc/43/46/30/444434630.db2.gz SBODLAVQYQIXPL-QWRGUYRKSA-N 1 2 331.367 1.583 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000337851325 444436643 /nfs/dbraw/zinc/43/66/43/444436643.db2.gz RSJPRCHSRCPDLF-OAHLLOKOSA-N 1 2 333.436 1.023 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000337851325 444436646 /nfs/dbraw/zinc/43/66/46/444436646.db2.gz RSJPRCHSRCPDLF-OAHLLOKOSA-N 1 2 333.436 1.023 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(S(=O)(=O)c2cccc3c2OCC3)CC1 ZINC000331854969 444489321 /nfs/dbraw/zinc/48/93/21/444489321.db2.gz XFPUUGYKEUNACD-UHFFFAOYSA-N 1 2 335.429 1.230 20 30 EDEDLO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000331941002 444491937 /nfs/dbraw/zinc/49/19/37/444491937.db2.gz XUWWABMTVZRJSO-YJBOKZPZSA-N 1 2 336.480 1.620 20 30 EDEDLO CC(C)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000331941002 444491941 /nfs/dbraw/zinc/49/19/41/444491941.db2.gz XUWWABMTVZRJSO-YJBOKZPZSA-N 1 2 336.480 1.620 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000329182552 444493935 /nfs/dbraw/zinc/49/39/35/444493935.db2.gz FFVSKUWQRYWRTB-HYVNUMGLSA-N 1 2 345.443 1.699 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000329202173 444499579 /nfs/dbraw/zinc/49/95/79/444499579.db2.gz XXTPARIJBYOXQW-OLZOCXBDSA-N 1 2 343.493 1.611 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000329202173 444499581 /nfs/dbraw/zinc/49/95/81/444499581.db2.gz XXTPARIJBYOXQW-OLZOCXBDSA-N 1 2 343.493 1.611 20 30 EDEDLO CC(C)C[C@H](CO)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343689224 444521235 /nfs/dbraw/zinc/52/12/35/444521235.db2.gz LULZJOIPFHIJIK-CQSZACIVSA-N 1 2 325.434 1.066 20 30 EDEDLO CC(C)C[C@H](CO)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343689224 444521242 /nfs/dbraw/zinc/52/12/42/444521242.db2.gz LULZJOIPFHIJIK-CQSZACIVSA-N 1 2 325.434 1.066 20 30 EDEDLO CCn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H](O)C1)C1CCOCC1 ZINC000329395397 444561534 /nfs/dbraw/zinc/56/15/34/444561534.db2.gz VPGDQNYMWHJEKM-LSDHHAIUSA-N 1 2 336.436 1.741 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)cn1 ZINC000342217413 444570964 /nfs/dbraw/zinc/57/09/64/444570964.db2.gz FBWDSSFZVQQFGP-UHFFFAOYSA-N 1 2 341.375 1.104 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000340911169 444571766 /nfs/dbraw/zinc/57/17/66/444571766.db2.gz OVJGWINEGYGLAG-IUODEOHRSA-N 1 2 348.447 1.407 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000340911169 444571769 /nfs/dbraw/zinc/57/17/69/444571769.db2.gz OVJGWINEGYGLAG-IUODEOHRSA-N 1 2 348.447 1.407 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000342158642 444539916 /nfs/dbraw/zinc/53/99/16/444539916.db2.gz ISDQVKXVDQRHIH-CVEARBPZSA-N 1 2 349.450 1.637 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOc4c(F)cccc43)C[C@@H]21 ZINC000329462602 444589139 /nfs/dbraw/zinc/58/91/39/444589139.db2.gz TYRHXVVQAXPXNC-OWCLPIDISA-N 1 2 349.406 1.968 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCOc4c(F)cccc43)C[C@@H]21 ZINC000329462602 444589141 /nfs/dbraw/zinc/58/91/41/444589141.db2.gz TYRHXVVQAXPXNC-OWCLPIDISA-N 1 2 349.406 1.968 20 30 EDEDLO N#CCCCNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000343843457 444621921 /nfs/dbraw/zinc/62/19/21/444621921.db2.gz FYHORRFONZRJSB-UHFFFAOYSA-N 1 2 349.479 1.314 20 30 EDEDLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N[C@@H]1CCOc2ccccc21 ZINC000329665300 444671681 /nfs/dbraw/zinc/67/16/81/444671681.db2.gz KJKGZFBCTWDZFC-GOEBONIOSA-N 1 2 331.416 1.483 20 30 EDEDLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N[C@@H]1CCOc2ccccc21 ZINC000329665300 444671683 /nfs/dbraw/zinc/67/16/83/444671683.db2.gz KJKGZFBCTWDZFC-GOEBONIOSA-N 1 2 331.416 1.483 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](C(=O)Nc3cc[nH+]cc3O)C2)c(F)c1 ZINC000342400236 444675522 /nfs/dbraw/zinc/67/55/22/444675522.db2.gz KEDMRLGPSTVFNK-LBPRGKRZSA-N 1 2 326.331 1.685 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)NC[C@H]3CCCSC3)CC2)cn1 ZINC000329699665 444684950 /nfs/dbraw/zinc/68/49/50/444684950.db2.gz GFYNNRKQJHURHU-CQSZACIVSA-N 1 2 337.493 1.595 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(-n4cccn4)c(F)c3)C[C@@H]21 ZINC000329919437 444769363 /nfs/dbraw/zinc/76/93/63/444769363.db2.gz DGJNNLPAEVQMFQ-HOTGVXAUSA-N 1 2 345.378 1.572 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(-n4cccn4)c(F)c3)C[C@@H]21 ZINC000329919437 444769367 /nfs/dbraw/zinc/76/93/67/444769367.db2.gz DGJNNLPAEVQMFQ-HOTGVXAUSA-N 1 2 345.378 1.572 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(-n4cccn4)c3)C[C@H]21 ZINC000329925446 444770725 /nfs/dbraw/zinc/77/07/25/444770725.db2.gz JUNLEKJNPJWUAB-HZPDHXFCSA-N 1 2 327.388 1.433 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(-n4cccn4)c3)C[C@H]21 ZINC000329925446 444770727 /nfs/dbraw/zinc/77/07/27/444770727.db2.gz JUNLEKJNPJWUAB-HZPDHXFCSA-N 1 2 327.388 1.433 20 30 EDEDLO Cc1ccn(-c2ccccc2NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)n1 ZINC000329932997 444774500 /nfs/dbraw/zinc/77/45/00/444774500.db2.gz BHIFMSKBPUCUEA-HNNXBMFYSA-N 1 2 342.447 1.752 20 30 EDEDLO Cc1ccn(-c2ccccc2NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)n1 ZINC000329932997 444774503 /nfs/dbraw/zinc/77/45/03/444774503.db2.gz BHIFMSKBPUCUEA-HNNXBMFYSA-N 1 2 342.447 1.752 20 30 EDEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@]2(CCOC2)O1 ZINC000329983323 444798904 /nfs/dbraw/zinc/79/89/04/444798904.db2.gz BBLZEMNGLTYVAR-CXAGYDPISA-N 1 2 334.420 1.382 20 30 EDEDLO Cc1cncc(CNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000329984128 444799462 /nfs/dbraw/zinc/79/94/62/444799462.db2.gz BZCHPKMMOMUACO-OAHLLOKOSA-N 1 2 328.420 1.526 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4ncccc4c3)C[C@H]21 ZINC000329986875 444799899 /nfs/dbraw/zinc/79/98/99/444799899.db2.gz SFVDLAYWRIVOOE-IAGOWNOFSA-N 1 2 326.400 1.664 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4ncccc4c3)C[C@H]21 ZINC000329986875 444799902 /nfs/dbraw/zinc/79/99/02/444799902.db2.gz SFVDLAYWRIVOOE-IAGOWNOFSA-N 1 2 326.400 1.664 20 30 EDEDLO Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[S@](=O)C3)CC2)c1 ZINC000329987545 444801110 /nfs/dbraw/zinc/80/11/10/444801110.db2.gz GGIIIPDKUNEDCH-MWTRTKDXSA-N 1 2 335.473 1.548 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000336918800 444852392 /nfs/dbraw/zinc/85/23/92/444852392.db2.gz PKCVPOLEISULOD-UHFFFAOYSA-N 1 2 349.460 1.805 20 30 EDEDLO CN(C)c1nc2cc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)ccc2o1 ZINC000330129318 444855099 /nfs/dbraw/zinc/85/50/99/444855099.db2.gz OGWMUVNAVRYVKR-HIFRSBDPSA-N 1 2 345.403 1.454 20 30 EDEDLO CN(C)c1nc2cc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)ccc2o1 ZINC000330129318 444855105 /nfs/dbraw/zinc/85/51/05/444855105.db2.gz OGWMUVNAVRYVKR-HIFRSBDPSA-N 1 2 345.403 1.454 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000330161323 444868294 /nfs/dbraw/zinc/86/82/94/444868294.db2.gz RRHAUUFUVJASIF-CGTJXYLNSA-N 1 2 347.459 1.989 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000341509410 444868574 /nfs/dbraw/zinc/86/85/74/444868574.db2.gz LLFZSRDMBIKQAO-BRWVUGGUSA-N 1 2 349.427 1.417 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000341509410 444868577 /nfs/dbraw/zinc/86/85/77/444868577.db2.gz LLFZSRDMBIKQAO-BRWVUGGUSA-N 1 2 349.427 1.417 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC1(O)CCCCCC1 ZINC000330269513 444915497 /nfs/dbraw/zinc/91/54/97/444915497.db2.gz JKODRWWYXYQTDS-INIZCTEOSA-N 1 2 340.512 1.553 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCN(CC(F)F)CC1 ZINC000330276887 444919288 /nfs/dbraw/zinc/91/92/88/444919288.db2.gz NOEBVAVKNOCKIQ-GFCCVEGCSA-N 1 2 327.379 1.385 20 30 EDEDLO CC(C)c1nnc2n1CCN(C(=O)N[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000330314771 444934061 /nfs/dbraw/zinc/93/40/61/444934061.db2.gz YESAQYRSBXPBBP-GFCCVEGCSA-N 1 2 329.408 1.343 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCc2ccc(Cl)cc2)C1=O ZINC000337203181 444984247 /nfs/dbraw/zinc/98/42/47/444984247.db2.gz GCYDSKMEBYCNLZ-MRXNPFEDSA-N 1 2 349.862 1.717 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCc2ccc(Cl)cc2)C1=O ZINC000337203181 444984249 /nfs/dbraw/zinc/98/42/49/444984249.db2.gz GCYDSKMEBYCNLZ-MRXNPFEDSA-N 1 2 349.862 1.717 20 30 EDEDLO Cc1ccc2[nH+]c(CNC(=O)CNC(=O)c3ccc(C#N)cc3)cn2c1 ZINC000339157121 445063285 /nfs/dbraw/zinc/06/32/85/445063285.db2.gz WAPWKPLEIABMJP-UHFFFAOYSA-N 1 2 347.378 1.561 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000330577439 445043444 /nfs/dbraw/zinc/04/34/44/445043444.db2.gz OYLLJHNOCMWPIX-CBZIJGRNSA-N 1 2 337.464 1.293 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000330577439 445043445 /nfs/dbraw/zinc/04/34/45/445043445.db2.gz OYLLJHNOCMWPIX-CBZIJGRNSA-N 1 2 337.464 1.293 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000330781602 445138690 /nfs/dbraw/zinc/13/86/90/445138690.db2.gz OPCFJJFYOCRZHP-AWEZNQCLSA-N 1 2 344.463 1.706 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000330781602 445138696 /nfs/dbraw/zinc/13/86/96/445138696.db2.gz OPCFJJFYOCRZHP-AWEZNQCLSA-N 1 2 344.463 1.706 20 30 EDEDLO CO[C@@H]1C[C@H](c2nnc(C)[nH]2)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000344652697 445105690 /nfs/dbraw/zinc/10/56/90/445105690.db2.gz FJNCCYZYCLSBJB-HZPDHXFCSA-N 1 2 327.388 1.826 20 30 EDEDLO CO[C@@H]1C[C@H](c2nnc(C)[nH]2)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000344652697 445105696 /nfs/dbraw/zinc/10/56/96/445105696.db2.gz FJNCCYZYCLSBJB-HZPDHXFCSA-N 1 2 327.388 1.826 20 30 EDEDLO C=C[C@H](C)NC(=O)N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000345260541 445176233 /nfs/dbraw/zinc/17/62/33/445176233.db2.gz SQZPNQDTWFSLBT-RBOXIYTFSA-N 1 2 331.420 1.488 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3ccc(C)cc32)CC1 ZINC000339883740 445177861 /nfs/dbraw/zinc/17/78/61/445177861.db2.gz VMUHABPZNAJGKY-UHFFFAOYSA-N 1 2 325.416 1.362 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1C ZINC000345493740 445188186 /nfs/dbraw/zinc/18/81/86/445188186.db2.gz XGOHAMHRIDHIMM-GHMZBOCLSA-N 1 2 343.399 1.940 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1C ZINC000345493740 445188188 /nfs/dbraw/zinc/18/81/88/445188188.db2.gz XGOHAMHRIDHIMM-GHMZBOCLSA-N 1 2 343.399 1.940 20 30 EDEDLO N#Cc1cccc(-c2c[nH+]c(CNc3nccn(C4CC4)c3=O)[nH]2)c1 ZINC000346250011 445209444 /nfs/dbraw/zinc/20/94/44/445209444.db2.gz XUCJRYAELZIQHT-UHFFFAOYSA-N 1 2 332.367 2.452 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000330952266 445200554 /nfs/dbraw/zinc/20/05/54/445200554.db2.gz QNMXSAQMTSFKHM-SNVBAGLBSA-N 1 2 328.775 1.625 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000330952266 445200556 /nfs/dbraw/zinc/20/05/56/445200556.db2.gz QNMXSAQMTSFKHM-SNVBAGLBSA-N 1 2 328.775 1.625 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000348573159 445330303 /nfs/dbraw/zinc/33/03/03/445330303.db2.gz WAHCZPWPYMPSPN-HNNXBMFYSA-N 1 2 347.440 1.155 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000348573159 445330304 /nfs/dbraw/zinc/33/03/04/445330304.db2.gz WAHCZPWPYMPSPN-HNNXBMFYSA-N 1 2 347.440 1.155 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000348856991 445417062 /nfs/dbraw/zinc/41/70/62/445417062.db2.gz AIHJLGWQQXINPB-NEWSRXKRSA-N 1 2 332.444 1.844 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000348856991 445417067 /nfs/dbraw/zinc/41/70/67/445417067.db2.gz AIHJLGWQQXINPB-NEWSRXKRSA-N 1 2 332.444 1.844 20 30 EDEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCC1(F)F ZINC000352009334 445435498 /nfs/dbraw/zinc/43/54/98/445435498.db2.gz UYUGPLLCPVDHEP-LLVKDONJSA-N 1 2 329.372 1.704 20 30 EDEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCC1(F)F ZINC000352009334 445435504 /nfs/dbraw/zinc/43/55/04/445435504.db2.gz UYUGPLLCPVDHEP-LLVKDONJSA-N 1 2 329.372 1.704 20 30 EDEDLO COc1ccc(OC)c(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000360068181 445552217 /nfs/dbraw/zinc/55/22/17/445552217.db2.gz GGSKLKHNRPEZHH-KRWDZBQOSA-N 1 2 325.368 1.892 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000357836420 445585952 /nfs/dbraw/zinc/58/59/52/445585952.db2.gz BPIFURRADNOUMS-YOEHRIQHSA-N 1 2 349.479 1.409 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000357836420 445585958 /nfs/dbraw/zinc/58/59/58/445585958.db2.gz BPIFURRADNOUMS-YOEHRIQHSA-N 1 2 349.479 1.409 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCC[C@H]3C#N)c[nH+]2)CCO1 ZINC000360051064 445546726 /nfs/dbraw/zinc/54/67/26/445546726.db2.gz MKTPRKXAKCUTNZ-KBMXLJTQSA-N 1 2 343.431 1.798 20 30 EDEDLO Cn1ncc(C(=O)NC[C@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)c1C#N ZINC000356103080 445622875 /nfs/dbraw/zinc/62/28/75/445622875.db2.gz TZADUCMMBANLJU-NWDGAFQWSA-N 1 2 347.419 1.696 20 30 EDEDLO Cn1ncc(C(=O)NC[C@H]2C[C@H](F)C[N@H+]2Cc2cccs2)c1C#N ZINC000356103080 445622878 /nfs/dbraw/zinc/62/28/78/445622878.db2.gz TZADUCMMBANLJU-NWDGAFQWSA-N 1 2 347.419 1.696 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360286478 445677146 /nfs/dbraw/zinc/67/71/46/445677146.db2.gz OSKMLIXRTTXEPY-HOTGVXAUSA-N 1 2 328.416 1.321 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360286478 445677150 /nfs/dbraw/zinc/67/71/50/445677150.db2.gz OSKMLIXRTTXEPY-HOTGVXAUSA-N 1 2 328.416 1.321 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360286480 445677531 /nfs/dbraw/zinc/67/75/31/445677531.db2.gz OSKMLIXRTTXEPY-JKSUJKDBSA-N 1 2 328.416 1.321 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360286480 445677534 /nfs/dbraw/zinc/67/75/34/445677534.db2.gz OSKMLIXRTTXEPY-JKSUJKDBSA-N 1 2 328.416 1.321 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000363197395 445716511 /nfs/dbraw/zinc/71/65/11/445716511.db2.gz MQIDBOHDMCDPNV-DZGCQCFKSA-N 1 2 341.415 1.375 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000363197395 445716519 /nfs/dbraw/zinc/71/65/19/445716519.db2.gz MQIDBOHDMCDPNV-DZGCQCFKSA-N 1 2 341.415 1.375 20 30 EDEDLO CCOC(=O)CCC[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000363414562 445794489 /nfs/dbraw/zinc/79/44/89/445794489.db2.gz OPBYTMRFIDXFCK-UHFFFAOYSA-N 1 2 329.400 1.546 20 30 EDEDLO CCOC(=O)CCC[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000363414562 445794492 /nfs/dbraw/zinc/79/44/92/445794492.db2.gz OPBYTMRFIDXFCK-UHFFFAOYSA-N 1 2 329.400 1.546 20 30 EDEDLO CC[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000363451287 445810065 /nfs/dbraw/zinc/81/00/65/445810065.db2.gz TVYSJNDUJRLUJJ-NUJGCVRESA-N 1 2 336.480 1.083 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)NCCc1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000358997680 445881447 /nfs/dbraw/zinc/88/14/47/445881447.db2.gz VWIJGHIJXDPWFS-LSDHHAIUSA-N 1 2 330.432 1.509 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000363560221 445858966 /nfs/dbraw/zinc/85/89/66/445858966.db2.gz MINMISLONLDUEY-ROUUACIJSA-N 1 2 345.487 1.487 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000363560221 445858969 /nfs/dbraw/zinc/85/89/69/445858969.db2.gz MINMISLONLDUEY-ROUUACIJSA-N 1 2 345.487 1.487 20 30 EDEDLO CC#CCCNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000361647031 445862894 /nfs/dbraw/zinc/86/28/94/445862894.db2.gz JPWAOOMQQSBILK-KRWDZBQOSA-N 1 2 345.443 1.167 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000364333365 445911100 /nfs/dbraw/zinc/91/11/00/445911100.db2.gz BOQRCJFCLMIABO-GOSISDBHSA-N 1 2 329.400 1.520 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000364333365 445911102 /nfs/dbraw/zinc/91/11/02/445911102.db2.gz BOQRCJFCLMIABO-GOSISDBHSA-N 1 2 329.400 1.520 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364323812 445911566 /nfs/dbraw/zinc/91/15/66/445911566.db2.gz JZNSNAASVZYZFL-CZUORRHYSA-N 1 2 346.391 1.237 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000364323812 445911572 /nfs/dbraw/zinc/91/15/72/445911572.db2.gz JZNSNAASVZYZFL-CZUORRHYSA-N 1 2 346.391 1.237 20 30 EDEDLO Cn1cc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000369217332 445999257 /nfs/dbraw/zinc/99/92/57/445999257.db2.gz XYDFVIFNAWQQMX-INIZCTEOSA-N 1 2 344.440 1.578 20 30 EDEDLO Cn1cc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000369217332 445999261 /nfs/dbraw/zinc/99/92/61/445999261.db2.gz XYDFVIFNAWQQMX-INIZCTEOSA-N 1 2 344.440 1.578 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)nc1 ZINC000365046084 445990912 /nfs/dbraw/zinc/99/09/12/445990912.db2.gz ABXQIMNRKNZOHW-OAHLLOKOSA-N 1 2 336.399 1.061 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cnc4c(C#N)cnn4c3)[C@@H]2C1 ZINC000583322928 326050382 /nfs/dbraw/zinc/05/03/82/326050382.db2.gz KJRDTNOUXDQVAI-OAGGEKHMSA-N 1 2 327.388 1.369 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cnc4c(C#N)cnn4c3)[C@@H]2C1 ZINC000583322928 326050383 /nfs/dbraw/zinc/05/03/83/326050383.db2.gz KJRDTNOUXDQVAI-OAGGEKHMSA-N 1 2 327.388 1.369 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000351539437 446139915 /nfs/dbraw/zinc/13/99/15/446139915.db2.gz AQYTUGWWMICXSB-GXTWGEPZSA-N 1 2 345.378 1.834 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000351539437 446139923 /nfs/dbraw/zinc/13/99/23/446139923.db2.gz AQYTUGWWMICXSB-GXTWGEPZSA-N 1 2 345.378 1.834 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000361977864 446123047 /nfs/dbraw/zinc/12/30/47/446123047.db2.gz ZENXEXVEZWSCHL-LBPRGKRZSA-N 1 2 332.385 1.816 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000361977863 446123271 /nfs/dbraw/zinc/12/32/71/446123271.db2.gz ZENXEXVEZWSCHL-GFCCVEGCSA-N 1 2 332.385 1.816 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)N(C)C[C@H](C)C#N)[C@@H]1c1c[nH+]cn1C ZINC000366283500 446126438 /nfs/dbraw/zinc/12/64/38/446126438.db2.gz NALBQXITMRJKMT-CKEIUWERSA-N 1 2 345.447 1.728 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000369924385 446168802 /nfs/dbraw/zinc/16/88/02/446168802.db2.gz SHZORGJMWURZIM-HNNXBMFYSA-N 1 2 336.480 1.679 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000369924385 446168809 /nfs/dbraw/zinc/16/88/09/446168809.db2.gz SHZORGJMWURZIM-HNNXBMFYSA-N 1 2 336.480 1.679 20 30 EDEDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000370046630 446178347 /nfs/dbraw/zinc/17/83/47/446178347.db2.gz SNXPMVOHLQQCFC-UHFFFAOYSA-N 1 2 341.375 1.307 20 30 EDEDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000370046630 446178351 /nfs/dbraw/zinc/17/83/51/446178351.db2.gz SNXPMVOHLQQCFC-UHFFFAOYSA-N 1 2 341.375 1.307 20 30 EDEDLO C#CC[NH+](CC#C)CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000369803633 446157028 /nfs/dbraw/zinc/15/70/28/446157028.db2.gz NHVLZJLVCHENNC-GOSISDBHSA-N 1 2 340.423 1.936 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366423633 446206248 /nfs/dbraw/zinc/20/62/48/446206248.db2.gz UYQSORXJDHFIKQ-OAHLLOKOSA-N 1 2 330.494 1.700 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366423633 446206251 /nfs/dbraw/zinc/20/62/51/446206251.db2.gz UYQSORXJDHFIKQ-OAHLLOKOSA-N 1 2 330.494 1.700 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000354448710 446211296 /nfs/dbraw/zinc/21/12/96/446211296.db2.gz IHCHHKVSMUVBAR-TZMCWYRMSA-N 1 2 335.429 1.252 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000354448710 446211301 /nfs/dbraw/zinc/21/13/01/446211301.db2.gz IHCHHKVSMUVBAR-TZMCWYRMSA-N 1 2 335.429 1.252 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(S(=O)(=O)c1cccc(C)c1C#N)C2 ZINC000366649556 446293375 /nfs/dbraw/zinc/29/33/75/446293375.db2.gz DIEPUJDXCMFDBZ-UHFFFAOYSA-N 1 2 330.413 1.885 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370546686 446327181 /nfs/dbraw/zinc/32/71/81/446327181.db2.gz MRFRVTJDGXWXEL-KGLIPLIRSA-N 1 2 349.456 1.788 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370546686 446327184 /nfs/dbraw/zinc/32/71/84/446327184.db2.gz MRFRVTJDGXWXEL-KGLIPLIRSA-N 1 2 349.456 1.788 20 30 EDEDLO C=C(C)Cn1c(-c2ncccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000417509129 446357503 /nfs/dbraw/zinc/35/75/03/446357503.db2.gz UTSUMWLKYURKJR-UHFFFAOYSA-N 1 2 343.435 1.080 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3nnnn3-c3ccccc3)CC2)cc1C#N ZINC000370648770 446372846 /nfs/dbraw/zinc/37/28/46/446372846.db2.gz UXXZKVITSQDRDU-UHFFFAOYSA-N 1 2 348.414 1.195 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)nc1 ZINC000370731446 446406827 /nfs/dbraw/zinc/40/68/27/446406827.db2.gz WVYGCMMAKBROHT-MRXNPFEDSA-N 1 2 340.427 1.711 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)nc1 ZINC000370731446 446406832 /nfs/dbraw/zinc/40/68/32/446406832.db2.gz WVYGCMMAKBROHT-MRXNPFEDSA-N 1 2 340.427 1.711 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c(F)c1 ZINC000374831492 446410835 /nfs/dbraw/zinc/41/08/35/446410835.db2.gz ZVGREPFJLHGSTJ-UHFFFAOYSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c(F)c1 ZINC000374831492 446410837 /nfs/dbraw/zinc/41/08/37/446410837.db2.gz ZVGREPFJLHGSTJ-UHFFFAOYSA-N 1 2 337.420 1.697 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000411197090 446425464 /nfs/dbraw/zinc/42/54/64/446425464.db2.gz VIPGBBOXBLAGRC-ZDUSSCGKSA-N 1 2 346.387 1.983 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000411197090 446425468 /nfs/dbraw/zinc/42/54/68/446425468.db2.gz VIPGBBOXBLAGRC-ZDUSSCGKSA-N 1 2 346.387 1.983 20 30 EDEDLO CN(CCC#N)S(=O)(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432269199 446457811 /nfs/dbraw/zinc/45/78/11/446457811.db2.gz IYBKKUDIPLGRQH-AWEZNQCLSA-N 1 2 333.417 1.521 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000452929606 446504659 /nfs/dbraw/zinc/50/46/59/446504659.db2.gz VAJRRVNJAALHDT-CVEARBPZSA-N 1 2 346.427 1.522 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000452929606 446504664 /nfs/dbraw/zinc/50/46/64/446504664.db2.gz VAJRRVNJAALHDT-CVEARBPZSA-N 1 2 346.427 1.522 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000367179299 446519769 /nfs/dbraw/zinc/51/97/69/446519769.db2.gz NNRCTQYJDOAGBN-ZDUSSCGKSA-N 1 2 337.449 1.119 20 30 EDEDLO C#CCCCS(=O)(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000367877113 446601902 /nfs/dbraw/zinc/60/19/02/446601902.db2.gz YONYBZDBZABDEE-AWEZNQCLSA-N 1 2 337.445 1.344 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NCc3cccc(C#N)c3)[C@H]2C1 ZINC000371060904 446604966 /nfs/dbraw/zinc/60/49/66/446604966.db2.gz AYDYMVAIDAKPSJ-SQNIBIBYSA-N 1 2 343.427 1.443 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)[C@H]2C1 ZINC000371060904 446604973 /nfs/dbraw/zinc/60/49/73/446604973.db2.gz AYDYMVAIDAKPSJ-SQNIBIBYSA-N 1 2 343.427 1.443 20 30 EDEDLO N#CCc1ccc(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)c(Cl)c1 ZINC000453753639 446639386 /nfs/dbraw/zinc/63/93/86/446639386.db2.gz QFKRIKCSKXOIDM-UHFFFAOYSA-N 1 2 343.774 1.583 20 30 EDEDLO C=C[C@H](CC(=O)N1CCC[N@@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000371164600 446666262 /nfs/dbraw/zinc/66/62/62/446666262.db2.gz OXGLDDJUCDSTIX-MRXNPFEDSA-N 1 2 329.444 1.627 20 30 EDEDLO C=C[C@H](CC(=O)N1CCC[N@H+](CC(=O)NC)CC1)c1ccccc1 ZINC000371164600 446666268 /nfs/dbraw/zinc/66/62/68/446666268.db2.gz OXGLDDJUCDSTIX-MRXNPFEDSA-N 1 2 329.444 1.627 20 30 EDEDLO C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(C#N)cc1 ZINC000368215817 446714815 /nfs/dbraw/zinc/71/48/15/446714815.db2.gz PPRJTSSJYYXLHZ-CXAGYDPISA-N 1 2 328.416 1.782 20 30 EDEDLO C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(C#N)cc1 ZINC000368215817 446714820 /nfs/dbraw/zinc/71/48/20/446714820.db2.gz PPRJTSSJYYXLHZ-CXAGYDPISA-N 1 2 328.416 1.782 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21)C1(C#N)CCCCC1 ZINC000375528754 446874503 /nfs/dbraw/zinc/87/45/03/446874503.db2.gz SLGUDNAWMLWGIK-HUUCEWRRSA-N 1 2 332.448 1.224 20 30 EDEDLO CN(C(=O)C[N@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21)C1(C#N)CCCCC1 ZINC000375528754 446874510 /nfs/dbraw/zinc/87/45/10/446874510.db2.gz SLGUDNAWMLWGIK-HUUCEWRRSA-N 1 2 332.448 1.224 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000371760044 446958832 /nfs/dbraw/zinc/95/88/32/446958832.db2.gz UZLXVBQOTQFIQX-IBGZPJMESA-N 1 2 347.418 1.997 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000371760044 446958836 /nfs/dbraw/zinc/95/88/36/446958836.db2.gz UZLXVBQOTQFIQX-IBGZPJMESA-N 1 2 347.418 1.997 20 30 EDEDLO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)NCC(F)(F)F)C(C)C ZINC000443222653 447010020 /nfs/dbraw/zinc/01/00/20/447010020.db2.gz DYSYLCPDYUWOJO-LBPRGKRZSA-N 1 2 343.415 1.671 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)nc[nH+]1 ZINC000413217148 447074955 /nfs/dbraw/zinc/07/49/55/447074955.db2.gz XQKOWKBPSALMKV-CZUORRHYSA-N 1 2 339.399 1.719 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)[nH+]cn1 ZINC000413217148 447074960 /nfs/dbraw/zinc/07/49/60/447074960.db2.gz XQKOWKBPSALMKV-CZUORRHYSA-N 1 2 339.399 1.719 20 30 EDEDLO C=CCn1cc(C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)nn1 ZINC000425353598 447126057 /nfs/dbraw/zinc/12/60/57/447126057.db2.gz LULWKQUTJIKEKE-OAHLLOKOSA-N 1 2 327.432 1.979 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000446764194 447257051 /nfs/dbraw/zinc/25/70/51/447257051.db2.gz DWMULPKANRTKJZ-OAHLLOKOSA-N 1 2 337.445 1.471 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000446764194 447257058 /nfs/dbraw/zinc/25/70/58/447257058.db2.gz DWMULPKANRTKJZ-OAHLLOKOSA-N 1 2 337.445 1.471 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000377639277 447264126 /nfs/dbraw/zinc/26/41/26/447264126.db2.gz CAWLFLWTBJGXHH-RHSMWYFYSA-N 1 2 328.416 1.292 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000377646458 447268921 /nfs/dbraw/zinc/26/89/21/447268921.db2.gz DKPSMWRVSZYNFN-GXTWGEPZSA-N 1 2 334.217 1.889 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000377646458 447268929 /nfs/dbraw/zinc/26/89/29/447268929.db2.gz DKPSMWRVSZYNFN-GXTWGEPZSA-N 1 2 334.217 1.889 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396813846 447548262 /nfs/dbraw/zinc/54/82/62/447548262.db2.gz TVNROPHWEQUWMA-GXTWGEPZSA-N 1 2 325.206 1.496 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396813846 447548264 /nfs/dbraw/zinc/54/82/64/447548264.db2.gz TVNROPHWEQUWMA-GXTWGEPZSA-N 1 2 325.206 1.496 20 30 EDEDLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1=O ZINC000459351451 447644405 /nfs/dbraw/zinc/64/44/05/447644405.db2.gz GVGRUWYVOJJEDR-BPUTZDHNSA-N 1 2 326.400 1.698 20 30 EDEDLO C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1=O ZINC000459351451 447644411 /nfs/dbraw/zinc/64/44/11/447644411.db2.gz GVGRUWYVOJJEDR-BPUTZDHNSA-N 1 2 326.400 1.698 20 30 EDEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H]1C ZINC000408314832 447648649 /nfs/dbraw/zinc/64/86/49/447648649.db2.gz CXPHGJGCRUIPGQ-HUUCEWRRSA-N 1 2 343.493 1.177 20 30 EDEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H]1C ZINC000408314832 447648651 /nfs/dbraw/zinc/64/86/51/447648651.db2.gz CXPHGJGCRUIPGQ-HUUCEWRRSA-N 1 2 343.493 1.177 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC(C)(C)C#N)c[nH+]2)CCO1 ZINC000457655320 447611054 /nfs/dbraw/zinc/61/10/54/447611054.db2.gz OGMVGDYUXHPGBQ-CQSZACIVSA-N 1 2 345.447 1.998 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451137476 447697073 /nfs/dbraw/zinc/69/70/73/447697073.db2.gz UXFQJGNGJDHFJH-GFCCVEGCSA-N 1 2 343.836 1.015 20 30 EDEDLO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451137476 447697078 /nfs/dbraw/zinc/69/70/78/447697078.db2.gz UXFQJGNGJDHFJH-GFCCVEGCSA-N 1 2 343.836 1.015 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000496065984 447703686 /nfs/dbraw/zinc/70/36/86/447703686.db2.gz MPDXEEASOWRFIU-JSGCOSHPSA-N 1 2 347.419 1.560 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000496065984 447703693 /nfs/dbraw/zinc/70/36/93/447703693.db2.gz MPDXEEASOWRFIU-JSGCOSHPSA-N 1 2 347.419 1.560 20 30 EDEDLO CCOCC[N@@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@@H]1C ZINC000451205501 447705662 /nfs/dbraw/zinc/70/56/62/447705662.db2.gz AKZJUINLCKJOGJ-AWEZNQCLSA-N 1 2 331.482 1.299 20 30 EDEDLO CCOCC[N@H+]1CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@@H]1C ZINC000451205501 447705664 /nfs/dbraw/zinc/70/56/64/447705664.db2.gz AKZJUINLCKJOGJ-AWEZNQCLSA-N 1 2 331.482 1.299 20 30 EDEDLO C=CC[C@H](C)NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495972745 447685876 /nfs/dbraw/zinc/68/58/76/447685876.db2.gz AISKGDRYARQTIP-KBPBESRZSA-N 1 2 340.468 1.801 20 30 EDEDLO C=CC[C@H](C)NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495972745 447685879 /nfs/dbraw/zinc/68/58/79/447685879.db2.gz AISKGDRYARQTIP-KBPBESRZSA-N 1 2 340.468 1.801 20 30 EDEDLO C=CCN(CCC#N)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000428856966 447717992 /nfs/dbraw/zinc/71/79/92/447717992.db2.gz PVTPMNNPGACVPM-MRXNPFEDSA-N 1 2 327.432 1.520 20 30 EDEDLO CC(C)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1[nH]cc[nH+]1 ZINC000451549642 447737978 /nfs/dbraw/zinc/73/79/78/447737978.db2.gz PURPSTYMHVCLCO-ZDUSSCGKSA-N 1 2 349.372 1.865 20 30 EDEDLO COC(=O)C[C@@](C)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccccn1 ZINC000429672187 447755162 /nfs/dbraw/zinc/75/51/62/447755162.db2.gz MVBRNDGPUCJVQY-QZTJIDSGSA-N 1 2 344.415 1.258 20 30 EDEDLO CC(C)[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000488088198 447841535 /nfs/dbraw/zinc/84/15/35/447841535.db2.gz ICZUGIOWHNEVRB-QGZVFWFLSA-N 1 2 335.473 1.604 20 30 EDEDLO CC(C)[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1C ZINC000488088198 447841536 /nfs/dbraw/zinc/84/15/36/447841536.db2.gz ICZUGIOWHNEVRB-QGZVFWFLSA-N 1 2 335.473 1.604 20 30 EDEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CCC1 ZINC000522879655 447861840 /nfs/dbraw/zinc/86/18/40/447861840.db2.gz QVUXJRZNRDXIQW-UHFFFAOYSA-N 1 2 341.411 1.796 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC(=O)NC3(C#N)CCC3)[C@@H]2C1 ZINC000496739767 447869736 /nfs/dbraw/zinc/86/97/36/447869736.db2.gz KMZULKXBPNWHCD-ZIAGYGMSSA-N 1 2 348.447 1.490 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC(=O)NC3(C#N)CCC3)[C@@H]2C1 ZINC000496739767 447869740 /nfs/dbraw/zinc/86/97/40/447869740.db2.gz KMZULKXBPNWHCD-ZIAGYGMSSA-N 1 2 348.447 1.490 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000570165756 447957177 /nfs/dbraw/zinc/95/71/77/447957177.db2.gz AZQVFSXIPFVWBE-HNNXBMFYSA-N 1 2 332.795 1.494 20 30 EDEDLO C#C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C(C)(C)C ZINC000491230025 447967619 /nfs/dbraw/zinc/96/76/19/447967619.db2.gz KFGWVSJSDGLBEU-ZIAGYGMSSA-N 1 2 345.447 1.258 20 30 EDEDLO COc1cc(/C=C\C(=O)NC[C@@H]2C[N@H+](C)CCO2)ccc1OCC#N ZINC000491435677 448027393 /nfs/dbraw/zinc/02/73/93/448027393.db2.gz LFYVRPIBVYDNSY-ZDTYVGOBSA-N 1 2 345.399 1.058 20 30 EDEDLO COc1cc(/C=C\C(=O)NC[C@@H]2C[N@@H+](C)CCO2)ccc1OCC#N ZINC000491435677 448027396 /nfs/dbraw/zinc/02/73/96/448027396.db2.gz LFYVRPIBVYDNSY-ZDTYVGOBSA-N 1 2 345.399 1.058 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)(C)C ZINC000491496837 448045540 /nfs/dbraw/zinc/04/55/40/448045540.db2.gz UBSZCFZQGRZRPG-HZPDHXFCSA-N 1 2 348.491 1.372 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000497295645 448049608 /nfs/dbraw/zinc/04/96/08/448049608.db2.gz GQLHCJLLCZYKGU-GOEBONIOSA-N 1 2 343.383 1.546 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000497295645 448049611 /nfs/dbraw/zinc/04/96/11/448049611.db2.gz GQLHCJLLCZYKGU-GOEBONIOSA-N 1 2 343.383 1.546 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1cnc2cc(F)c(Cl)cc2c1=O ZINC000570720748 448054784 /nfs/dbraw/zinc/05/47/84/448054784.db2.gz MBELNZUDXDZUSI-SNVBAGLBSA-N 1 2 338.770 1.395 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1cnc2cc(F)c(Cl)cc2c1=O ZINC000570720748 448054788 /nfs/dbraw/zinc/05/47/88/448054788.db2.gz MBELNZUDXDZUSI-SNVBAGLBSA-N 1 2 338.770 1.395 20 30 EDEDLO C#CCN(C)c1cnc(-c2noc(Cc3cn4ccccc4[nH+]3)n2)cn1 ZINC000491408218 448017186 /nfs/dbraw/zinc/01/71/86/448017186.db2.gz UQZASIZWUIZDDB-UHFFFAOYSA-N 1 2 345.366 1.835 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000491718746 448088444 /nfs/dbraw/zinc/08/84/44/448088444.db2.gz WBNFOCABZIGJMY-UONOGXRCSA-N 1 2 338.452 1.249 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000491718746 448088450 /nfs/dbraw/zinc/08/84/50/448088450.db2.gz WBNFOCABZIGJMY-UONOGXRCSA-N 1 2 338.452 1.249 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000491746673 448100757 /nfs/dbraw/zinc/10/07/57/448100757.db2.gz LZAHTABVHAYMKQ-UHFFFAOYSA-N 1 2 338.404 1.513 20 30 EDEDLO N#CC1(NC(=O)C[NH+]2CCN(c3ccc4ccccc4n3)CC2)CCC1 ZINC000526135601 448109116 /nfs/dbraw/zinc/10/91/16/448109116.db2.gz UWCFIGYJDJYBKZ-UHFFFAOYSA-N 1 2 349.438 1.919 20 30 EDEDLO C[C@@H](CN=Nc1ccc(-n2cc[nH+]c2)nn1)CNC(=O)OC(C)(C)C ZINC000497053495 448160035 /nfs/dbraw/zinc/16/00/35/448160035.db2.gz JTVPJYSDUXXPOK-GFCCVEGCSA-N 1 2 345.407 2.221 20 30 EDEDLO Cc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)CC#N)CC2)c(C)c1 ZINC000571175354 448117933 /nfs/dbraw/zinc/11/79/33/448117933.db2.gz FNHRDFUHTMYFDR-MRXNPFEDSA-N 1 2 331.416 1.101 20 30 EDEDLO C#CC[N@@H+](CCCc1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 ZINC000491782087 448121022 /nfs/dbraw/zinc/12/10/22/448121022.db2.gz MVYDGVODCYRYKM-KRWDZBQOSA-N 1 2 333.453 1.676 20 30 EDEDLO C#CC[N@H+](CCCc1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 ZINC000491782087 448121026 /nfs/dbraw/zinc/12/10/26/448121026.db2.gz MVYDGVODCYRYKM-KRWDZBQOSA-N 1 2 333.453 1.676 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cccc(CC#N)c1)C2 ZINC000560490596 448221946 /nfs/dbraw/zinc/22/19/46/448221946.db2.gz XXOPOMONCGJZSD-INIZCTEOSA-N 1 2 338.411 1.537 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c1C#N ZINC000591054803 448246523 /nfs/dbraw/zinc/24/65/23/448246523.db2.gz CRVGTKBFCLRBKH-KDOFPFPSSA-N 1 2 326.400 1.228 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1C#N ZINC000591054803 448246527 /nfs/dbraw/zinc/24/65/27/448246527.db2.gz CRVGTKBFCLRBKH-KDOFPFPSSA-N 1 2 326.400 1.228 20 30 EDEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1cc(C(C)(C)C)n[nH]1 ZINC000562491471 448256260 /nfs/dbraw/zinc/25/62/60/448256260.db2.gz CXNVAKHZAMPBAB-UHFFFAOYSA-N 1 2 330.436 1.795 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1cc(C(C)(C)C)n[nH]1 ZINC000562491471 448256263 /nfs/dbraw/zinc/25/62/63/448256263.db2.gz CXNVAKHZAMPBAB-UHFFFAOYSA-N 1 2 330.436 1.795 20 30 EDEDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)s1 ZINC000582665761 448305791 /nfs/dbraw/zinc/30/57/91/448305791.db2.gz AAXCACDIPUYLED-SECBINFHSA-N 1 2 342.384 1.695 20 30 EDEDLO CCc1ccccc1-n1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1 ZINC000565484705 448370206 /nfs/dbraw/zinc/37/02/06/448370206.db2.gz ZXRZFPSITISBJE-KRWDZBQOSA-N 1 2 326.404 1.403 20 30 EDEDLO C=C[C@@H]1CCCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000572552304 448407754 /nfs/dbraw/zinc/40/77/54/448407754.db2.gz WRLQFAFCDNMUPG-MRXNPFEDSA-N 1 2 344.463 1.349 20 30 EDEDLO COCCOCc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1F ZINC000566309662 448442576 /nfs/dbraw/zinc/44/25/76/448442576.db2.gz QELGEXNMDPWKAD-QGZVFWFLSA-N 1 2 337.395 1.562 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000566660065 448530517 /nfs/dbraw/zinc/53/05/17/448530517.db2.gz DLXWVPLSBDTBTQ-IDHHARJASA-N 1 2 345.418 1.737 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000566660065 448530523 /nfs/dbraw/zinc/53/05/23/448530523.db2.gz DLXWVPLSBDTBTQ-IDHHARJASA-N 1 2 345.418 1.737 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[C@](O)(CC#N)C1 ZINC000591896766 448553371 /nfs/dbraw/zinc/55/33/71/448553371.db2.gz RPYLHAAMHDPPCT-GOSISDBHSA-N 1 2 341.415 1.795 20 30 EDEDLO N#CC1(CC[NH+]2CCN(S(=O)(=O)C3CC3)CC2)CCCCC1 ZINC000528620048 448606322 /nfs/dbraw/zinc/60/63/22/448606322.db2.gz NNLVHZWYAQZAPG-UHFFFAOYSA-N 1 2 325.478 1.960 20 30 EDEDLO C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CO1 ZINC000584718061 448607272 /nfs/dbraw/zinc/60/72/72/448607272.db2.gz OFIXSYNZHCAISL-RHSMWYFYSA-N 1 2 328.416 1.563 20 30 EDEDLO N#CC1(CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000578834703 448644217 /nfs/dbraw/zinc/64/42/17/448644217.db2.gz TZAXGDPATXQWSF-KRWDZBQOSA-N 1 2 342.443 1.533 20 30 EDEDLO COC[C@@](C)(C#N)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000541723837 448688358 /nfs/dbraw/zinc/68/83/58/448688358.db2.gz GGJCKPHBRSJRNZ-GOSISDBHSA-N 1 2 339.399 2.056 20 30 EDEDLO CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592146818 448707179 /nfs/dbraw/zinc/70/71/79/448707179.db2.gz GINRUCSGEZQSAP-IBGZPJMESA-N 1 2 329.444 1.819 20 30 EDEDLO CC(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592146818 448707181 /nfs/dbraw/zinc/70/71/81/448707181.db2.gz GINRUCSGEZQSAP-IBGZPJMESA-N 1 2 329.444 1.819 20 30 EDEDLO COC(=O)c1cccc2c1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000592163727 448718467 /nfs/dbraw/zinc/71/84/67/448718467.db2.gz WQGCYQQLFZZTLF-ZDUSSCGKSA-N 1 2 329.400 1.592 20 30 EDEDLO COC(=O)c1cccc2c1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000592163727 448718470 /nfs/dbraw/zinc/71/84/70/448718470.db2.gz WQGCYQQLFZZTLF-ZDUSSCGKSA-N 1 2 329.400 1.592 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)NCCc1c[nH+]cn1C ZINC000541552659 448679928 /nfs/dbraw/zinc/67/99/28/448679928.db2.gz ZVOHORMKLCYWET-UHFFFAOYSA-N 1 2 342.399 1.818 20 30 EDEDLO N#CCC1CC[NH+](CC(=O)Nc2ccccc2SCC(N)=O)CC1 ZINC000543807453 448749554 /nfs/dbraw/zinc/74/95/54/448749554.db2.gz OCUUOOBEXZXSTR-UHFFFAOYSA-N 1 2 346.456 1.828 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2C2CCC2)CC1 ZINC000574154900 448803141 /nfs/dbraw/zinc/80/31/41/448803141.db2.gz XMSOSEVHRWQWQO-ZWKOTPCHSA-N 1 2 348.491 1.180 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCOC[C@@H]2C2CCC2)CC1 ZINC000574154900 448803148 /nfs/dbraw/zinc/80/31/48/448803148.db2.gz XMSOSEVHRWQWQO-ZWKOTPCHSA-N 1 2 348.491 1.180 20 30 EDEDLO Cc1cc(NCCNC(=O)c2ccc(C#N)c(O)c2)nc(C(C)C)[nH+]1 ZINC000529846643 448984557 /nfs/dbraw/zinc/98/45/57/448984557.db2.gz XSPRAMAJLMMLPY-UHFFFAOYSA-N 1 2 339.399 2.328 20 30 EDEDLO CC1(C(N)=O)C[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000580190388 448941731 /nfs/dbraw/zinc/94/17/31/448941731.db2.gz QMCIDMGQDVVUMB-UHFFFAOYSA-N 1 2 334.807 1.394 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000582046070 448995604 /nfs/dbraw/zinc/99/56/04/448995604.db2.gz JQKZRPUVZDGCCK-WBVHZDCISA-N 1 2 330.432 1.955 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@]1(C#N)CC13CCCC3)C2 ZINC000569250313 448989286 /nfs/dbraw/zinc/98/92/86/448989286.db2.gz OOQRSMCUBYYWDR-AUUYWEPGSA-N 1 2 342.443 1.631 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000581957334 448990359 /nfs/dbraw/zinc/99/03/59/448990359.db2.gz DREODSYRAHXLOO-INIZCTEOSA-N 1 2 338.411 1.826 20 30 EDEDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000575113847 449038173 /nfs/dbraw/zinc/03/81/73/449038173.db2.gz JJMVOUMFUCCUFR-AWEZNQCLSA-N 1 2 329.448 1.769 20 30 EDEDLO N#C[C@@]1(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CC12CCCC2 ZINC000569544519 449038721 /nfs/dbraw/zinc/03/87/21/449038721.db2.gz ZWTOEBTULVHKLT-VQIMIIECSA-N 1 2 347.459 1.410 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2)nc1 ZINC000590047276 449100973 /nfs/dbraw/zinc/10/09/73/449100973.db2.gz YNEHFWWXGDROIT-OAHLLOKOSA-N 1 2 325.372 1.610 20 30 EDEDLO N#CC1(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000590241517 449119534 /nfs/dbraw/zinc/11/95/34/449119534.db2.gz RNAHFHGOPWDOOC-QGZVFWFLSA-N 1 2 327.428 1.740 20 30 EDEDLO C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)n1cc(Br)cn1 ZINC000593153544 449154069 /nfs/dbraw/zinc/15/40/69/449154069.db2.gz SZKBHJHPZXKRFF-GXFFZTMASA-N 1 2 342.241 1.557 20 30 EDEDLO CCOC(=O)C12CC(C1)C[N@@H+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595859818 449211450 /nfs/dbraw/zinc/21/14/50/449211450.db2.gz CMGWJTLMAVUMRY-SWKXRBFHSA-N 1 2 330.384 1.325 20 30 EDEDLO CCOC(=O)C12CC(C1)C[N@H+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595859818 449211453 /nfs/dbraw/zinc/21/14/53/449211453.db2.gz CMGWJTLMAVUMRY-SWKXRBFHSA-N 1 2 330.384 1.325 20 30 EDEDLO Cc1cc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)ncc1C#N ZINC000598342032 449357271 /nfs/dbraw/zinc/35/72/71/449357271.db2.gz BNLVQUCSCSTBTO-UHFFFAOYSA-N 1 2 328.416 1.446 20 30 EDEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000611551289 449333633 /nfs/dbraw/zinc/33/36/33/449333633.db2.gz PCNAXQDSVLVNLY-INIZCTEOSA-N 1 2 344.390 1.157 20 30 EDEDLO CO[C@H](Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)C1CCCC1 ZINC000596285708 449456785 /nfs/dbraw/zinc/45/67/85/449456785.db2.gz MSCBXFWCMLRNEG-GOSISDBHSA-N 1 2 345.443 1.757 20 30 EDEDLO CN1CCN(c2cc(NCCc3ccc(C#N)cc3)[nH+]cn2)CC1=O ZINC000596321652 449474079 /nfs/dbraw/zinc/47/40/79/449474079.db2.gz LTWDVTZVFLHKGF-UHFFFAOYSA-N 1 2 336.399 1.281 20 30 EDEDLO CN1CCN(c2cc(NCCc3ccc(C#N)cc3)nc[nH+]2)CC1=O ZINC000596321652 449474085 /nfs/dbraw/zinc/47/40/85/449474085.db2.gz LTWDVTZVFLHKGF-UHFFFAOYSA-N 1 2 336.399 1.281 20 30 EDEDLO CCOc1cncc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1 ZINC000598675827 449537041 /nfs/dbraw/zinc/53/70/41/449537041.db2.gz NHCXUCZQRFCHNA-UHFFFAOYSA-N 1 2 340.431 1.716 20 30 EDEDLO Cc1c(Cl)cnc(N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)c1C#N ZINC000612070953 449551070 /nfs/dbraw/zinc/55/10/70/449551070.db2.gz GXDXNULVDNLWMD-GFCCVEGCSA-N 1 2 347.850 1.704 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598643587 449515419 /nfs/dbraw/zinc/51/54/19/449515419.db2.gz DQJZREAMKCNNOQ-OAHLLOKOSA-N 1 2 335.429 1.008 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)c(OC)c1)C[C@@H](O)C(F)(F)F ZINC000594611737 449593553 /nfs/dbraw/zinc/59/35/53/449593553.db2.gz CMMRABDCKDWWGY-CQSZACIVSA-N 1 2 332.322 1.938 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)c(OC)c1)C[C@@H](O)C(F)(F)F ZINC000594611737 449593560 /nfs/dbraw/zinc/59/35/60/449593560.db2.gz CMMRABDCKDWWGY-CQSZACIVSA-N 1 2 332.322 1.938 20 30 EDEDLO N#Cc1ccc(CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000596670847 449597949 /nfs/dbraw/zinc/59/79/49/449597949.db2.gz DKJDAXLHDQVZBC-SFHVURJKSA-N 1 2 342.443 1.607 20 30 EDEDLO C[C@@]1(C2CC2)C[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000594659262 449612063 /nfs/dbraw/zinc/61/20/63/449612063.db2.gz AJSMFFGPOGQQDK-APWZRJJASA-N 1 2 339.395 1.691 20 30 EDEDLO C[C@@]1(C2CC2)C[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000594659262 449612070 /nfs/dbraw/zinc/61/20/70/449612070.db2.gz AJSMFFGPOGQQDK-APWZRJJASA-N 1 2 339.395 1.691 20 30 EDEDLO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000594801393 449713465 /nfs/dbraw/zinc/71/34/65/449713465.db2.gz MYNXQPLKKZHBAZ-NSHDSACASA-N 1 2 343.399 1.988 20 30 EDEDLO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000594801393 449713468 /nfs/dbraw/zinc/71/34/68/449713468.db2.gz MYNXQPLKKZHBAZ-NSHDSACASA-N 1 2 343.399 1.988 20 30 EDEDLO CN(c1[nH+]cnc2c1cnn2CCC#N)[C@H]1CCCCN(C)C1=O ZINC000601229254 449763018 /nfs/dbraw/zinc/76/30/18/449763018.db2.gz KDTQZUNBUAFTEB-ZDUSSCGKSA-N 1 2 327.392 1.187 20 30 EDEDLO CSc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)o1 ZINC000597023730 449771850 /nfs/dbraw/zinc/77/18/50/449771850.db2.gz ZPGZKNDJMUFWAH-UHFFFAOYSA-N 1 2 337.445 1.998 20 30 EDEDLO Cc1nn(C)c(N2CCN(Cc3c[nH+]c4n3CCC4)CC2)c1C#N ZINC000597108875 449819842 /nfs/dbraw/zinc/81/98/42/449819842.db2.gz WVHPHURBATZTGB-UHFFFAOYSA-N 1 2 325.420 1.065 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000601321948 449830582 /nfs/dbraw/zinc/83/05/82/449830582.db2.gz VKGCCOOXHUHZFD-QGZVFWFLSA-N 1 2 349.456 1.207 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000601321948 449830591 /nfs/dbraw/zinc/83/05/91/449830591.db2.gz VKGCCOOXHUHZFD-QGZVFWFLSA-N 1 2 349.456 1.207 20 30 EDEDLO Cc1ccccc1CN(C)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854630 449861081 /nfs/dbraw/zinc/86/10/81/449861081.db2.gz CMFBXNJGJNWMBU-CALCHBBNSA-N 1 2 328.460 1.872 20 30 EDEDLO Cc1ccccc1CN(C)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854630 449861084 /nfs/dbraw/zinc/86/10/84/449861084.db2.gz CMFBXNJGJNWMBU-CALCHBBNSA-N 1 2 328.460 1.872 20 30 EDEDLO CCOc1ccccc1NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854236 449861112 /nfs/dbraw/zinc/86/11/12/449861112.db2.gz AZAMCSXOOUROKQ-HUUCEWRRSA-N 1 2 330.432 1.942 20 30 EDEDLO COc1cccc(CN(C)C(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602855595 449862534 /nfs/dbraw/zinc/86/25/34/449862534.db2.gz HMXFNEYRCXXXRB-HZPDHXFCSA-N 1 2 344.459 1.572 20 30 EDEDLO COc1cccc(CN(C)C(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602855596 449863078 /nfs/dbraw/zinc/86/30/78/449863078.db2.gz HMXFNEYRCXXXRB-IYBDPMFKSA-N 1 2 344.459 1.572 20 30 EDEDLO COc1cccc(CN(C)C(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602855596 449863085 /nfs/dbraw/zinc/86/30/85/449863085.db2.gz HMXFNEYRCXXXRB-IYBDPMFKSA-N 1 2 344.459 1.572 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602857073 449866201 /nfs/dbraw/zinc/86/62/01/449866201.db2.gz OMBPDTVXSKSRBR-MGPQQGTHSA-N 1 2 344.415 1.660 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N2CCCc3ccccc32)C[C@H](C)N1CC#N ZINC000602857012 449866344 /nfs/dbraw/zinc/86/63/44/449866344.db2.gz NVMAAIMQZSCRIH-IYBDPMFKSA-N 1 2 326.444 1.884 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N2CCCc3ccccc32)C[C@H](C)N1CC#N ZINC000602857012 449866350 /nfs/dbraw/zinc/86/63/50/449866350.db2.gz NVMAAIMQZSCRIH-IYBDPMFKSA-N 1 2 326.444 1.884 20 30 EDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000602865485 449874954 /nfs/dbraw/zinc/87/49/54/449874954.db2.gz VUDREKMPOZHFBE-CQSZACIVSA-N 1 2 334.851 1.876 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602842587 449849737 /nfs/dbraw/zinc/84/97/37/449849737.db2.gz WIZCWVPOGKVJQG-INIZCTEOSA-N 1 2 325.416 1.229 20 30 EDEDLO C=CCCSCCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000597295518 449925148 /nfs/dbraw/zinc/92/51/48/449925148.db2.gz CNIQZVCPYXASKV-AWEZNQCLSA-N 1 2 348.472 1.202 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)c1cc2ccccc2n1CC#N ZINC000609171161 449973180 /nfs/dbraw/zinc/97/31/80/449973180.db2.gz BWQMLUQHMQCHGK-UHFFFAOYSA-N 1 2 326.400 1.569 20 30 EDEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602975368 449976857 /nfs/dbraw/zinc/97/68/57/449976857.db2.gz ABDIUCRYNZETTE-IAGOWNOFSA-N 1 2 348.491 1.716 20 30 EDEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602975368 449976858 /nfs/dbraw/zinc/97/68/58/449976858.db2.gz ABDIUCRYNZETTE-IAGOWNOFSA-N 1 2 348.491 1.716 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@H](CC(F)(F)F)C2)CCOCC1 ZINC000599476980 450006015 /nfs/dbraw/zinc/00/60/15/450006015.db2.gz ANQMQYCUZNCXLB-CHWSQXEVSA-N 1 2 336.354 1.711 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@H](CC(F)(F)F)C2)CCOCC1 ZINC000599476980 450006021 /nfs/dbraw/zinc/00/60/21/450006021.db2.gz ANQMQYCUZNCXLB-CHWSQXEVSA-N 1 2 336.354 1.711 20 30 EDEDLO CCN1CC[C@@H]([NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)C1=O ZINC000595297095 450012602 /nfs/dbraw/zinc/01/26/02/450012602.db2.gz BESYTPAQYAFGED-GOSISDBHSA-N 1 2 349.438 1.849 20 30 EDEDLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000599568754 450072179 /nfs/dbraw/zinc/07/21/79/450072179.db2.gz IHLPCQKFXZFUML-PIGZYNQJSA-N 1 2 349.387 1.359 20 30 EDEDLO COC(=O)[C@@]1(OC)CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000599568754 450072187 /nfs/dbraw/zinc/07/21/87/450072187.db2.gz IHLPCQKFXZFUML-PIGZYNQJSA-N 1 2 349.387 1.359 20 30 EDEDLO N#CCC1(CS(=O)(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CC1 ZINC000601519115 450041300 /nfs/dbraw/zinc/04/13/00/450041300.db2.gz JWXMRGVTRRQUOX-UHFFFAOYSA-N 1 2 349.456 1.533 20 30 EDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](CCOc2ccccc2C#N)C1 ZINC000599581560 450082170 /nfs/dbraw/zinc/08/21/70/450082170.db2.gz QKENYFOZYGOVPV-GJZGRUSLSA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000599581560 450082176 /nfs/dbraw/zinc/08/21/76/450082176.db2.gz QKENYFOZYGOVPV-GJZGRUSLSA-N 1 2 346.383 1.364 20 30 EDEDLO N#CC[C@@H](CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)c1ccccc1 ZINC000597627012 450154634 /nfs/dbraw/zinc/15/46/34/450154634.db2.gz WPZCJJYFNDETPF-ROUUACIJSA-N 1 2 326.444 1.580 20 30 EDEDLO N#CC[C@@H](CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)c1ccccc1 ZINC000597627012 450154638 /nfs/dbraw/zinc/15/46/38/450154638.db2.gz WPZCJJYFNDETPF-ROUUACIJSA-N 1 2 326.444 1.580 20 30 EDEDLO COC[C@@]1(C)C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000599697712 450161930 /nfs/dbraw/zinc/16/19/30/450161930.db2.gz PPJRTWLNNIOXDV-SJLPKXTDSA-N 1 2 329.400 1.401 20 30 EDEDLO COC[C@@]1(C)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000599697712 450161932 /nfs/dbraw/zinc/16/19/32/450161932.db2.gz PPJRTWLNNIOXDV-SJLPKXTDSA-N 1 2 329.400 1.401 20 30 EDEDLO COC1CC[NH+](Cc2cn([C@@H](C)C(=O)NC3(C#N)CCC3)nn2)CC1 ZINC000603240380 450167991 /nfs/dbraw/zinc/16/79/91/450167991.db2.gz VCBVVAFYRRMFNB-ZDUSSCGKSA-N 1 2 346.435 1.012 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000603239529 450168470 /nfs/dbraw/zinc/16/84/70/450168470.db2.gz RNXKJPCQVQYPSS-SFHVURJKSA-N 1 2 348.410 1.631 20 30 EDEDLO C=CCSCCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000603277641 450203405 /nfs/dbraw/zinc/20/34/05/450203405.db2.gz RUFRXGMQVNLSDE-UHFFFAOYSA-N 1 2 326.487 1.872 20 30 EDEDLO C=CCSCCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000603277641 450203411 /nfs/dbraw/zinc/20/34/11/450203411.db2.gz RUFRXGMQVNLSDE-UHFFFAOYSA-N 1 2 326.487 1.872 20 30 EDEDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1cc2ccccc2n1CC#N ZINC000601733249 450197608 /nfs/dbraw/zinc/19/76/08/450197608.db2.gz ADCHVPUXJIKSAT-HNNXBMFYSA-N 1 2 326.400 1.567 20 30 EDEDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cc2ccccc2n1CC#N ZINC000601733249 450197611 /nfs/dbraw/zinc/19/76/11/450197611.db2.gz ADCHVPUXJIKSAT-HNNXBMFYSA-N 1 2 326.400 1.567 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1C#N ZINC000610533582 450256266 /nfs/dbraw/zinc/25/62/66/450256266.db2.gz HRDORWNNVPPARJ-CQSZACIVSA-N 1 2 337.383 1.865 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CCC[N@@H+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC000619718819 450318031 /nfs/dbraw/zinc/31/80/31/450318031.db2.gz ZXGSWZQWJHSZRC-CHWSQXEVSA-N 1 2 338.408 1.012 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CCC[N@H+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC000619718819 450318038 /nfs/dbraw/zinc/31/80/38/450318038.db2.gz ZXGSWZQWJHSZRC-CHWSQXEVSA-N 1 2 338.408 1.012 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000619717794 450318484 /nfs/dbraw/zinc/31/84/84/450318484.db2.gz KFJFNJKZJGRCEU-HZPDHXFCSA-N 1 2 338.835 1.719 20 30 EDEDLO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000616132534 450330532 /nfs/dbraw/zinc/33/05/32/450330532.db2.gz OMWRPSGVRKWBJT-AWEZNQCLSA-N 1 2 330.407 1.899 20 30 EDEDLO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000616132534 450330537 /nfs/dbraw/zinc/33/05/37/450330537.db2.gz OMWRPSGVRKWBJT-AWEZNQCLSA-N 1 2 330.407 1.899 20 30 EDEDLO CN(C)C(=O)C[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000613869101 450343421 /nfs/dbraw/zinc/34/34/21/450343421.db2.gz MZVLWIMHIHKBNU-UHFFFAOYSA-N 1 2 340.349 1.787 20 30 EDEDLO N#CCn1c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc2ccccc21 ZINC000610913599 450379747 /nfs/dbraw/zinc/37/97/47/450379747.db2.gz GVEPMOQXMVZQKF-INIZCTEOSA-N 1 2 338.411 1.712 20 30 EDEDLO N#CCc1cccc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000619475218 450484186 /nfs/dbraw/zinc/48/41/86/450484186.db2.gz AFELZNKFGJCATF-UHFFFAOYSA-N 1 2 344.440 1.806 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000625711417 450484691 /nfs/dbraw/zinc/48/46/91/450484691.db2.gz LGJLOOPSVGQEGN-KBPBESRZSA-N 1 2 336.457 1.436 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000636607991 451347074 /nfs/dbraw/zinc/34/70/74/451347074.db2.gz BJIXENRKYCJTEO-UHFFFAOYSA-N 1 2 329.444 1.837 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000636787226 451508425 /nfs/dbraw/zinc/50/84/25/451508425.db2.gz MYMVGYXKKIXKKE-CQSZACIVSA-N 1 2 330.432 1.495 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cccc(SC)c2)nn1 ZINC000640783124 451577298 /nfs/dbraw/zinc/57/72/98/451577298.db2.gz ZWNVPHAXOUFCOX-UHFFFAOYSA-N 1 2 329.429 1.752 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@H](C)c2ccccc2)nn1 ZINC000640819185 451607542 /nfs/dbraw/zinc/60/75/42/451607542.db2.gz MAQLSCGSLYCRBW-HUUCEWRRSA-N 1 2 325.416 1.829 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(C)c3ccccc3n2)CC1 ZINC000641268321 451799687 /nfs/dbraw/zinc/79/96/87/451799687.db2.gz BVEJBCFVTJAYAA-UHFFFAOYSA-N 1 2 325.416 1.362 20 30 EDEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637442492 451858860 /nfs/dbraw/zinc/85/88/60/451858860.db2.gz QTUDMVPOZHLEDJ-KRWDZBQOSA-N 1 2 349.479 1.882 20 30 EDEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637442492 451858867 /nfs/dbraw/zinc/85/88/67/451858867.db2.gz QTUDMVPOZHLEDJ-KRWDZBQOSA-N 1 2 349.479 1.882 20 30 EDEDLO C=CC[N@@H+](Cc1ccc2oc(=O)n(C)c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000637962235 452208494 /nfs/dbraw/zinc/20/84/94/452208494.db2.gz JPBRNBQHMICMMX-CYBMUJFWSA-N 1 2 336.413 1.307 20 30 EDEDLO C=CC[N@H+](Cc1ccc2oc(=O)n(C)c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000637962235 452208498 /nfs/dbraw/zinc/20/84/98/452208498.db2.gz JPBRNBQHMICMMX-CYBMUJFWSA-N 1 2 336.413 1.307 20 30 EDEDLO C=C(C)CCNC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000655508294 452311187 /nfs/dbraw/zinc/31/11/87/452311187.db2.gz LZNGCXVBZURJKK-MRXNPFEDSA-N 1 2 341.415 1.791 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N(CCc2cn3c(cccc3C)[nH+]2)C1=O ZINC000647684272 452416784 /nfs/dbraw/zinc/41/67/84/452416784.db2.gz PKVDNLWLPORGGT-AWEZNQCLSA-N 1 2 328.372 1.308 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000658432781 452962383 /nfs/dbraw/zinc/96/23/83/452962383.db2.gz LMNZRYDEXBOQAO-SJORKVTESA-N 1 2 349.475 1.124 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)nn1 ZINC000657317538 453764736 /nfs/dbraw/zinc/76/47/36/453764736.db2.gz YUNZVZRSBFWESJ-UHFFFAOYSA-N 1 2 334.445 1.689 20 30 EDEDLO CC(C)[C@@H](CNC(=O)c1cc(O)cc(C#N)c1)[NH+]1CCN(C)CC1 ZINC000614299927 486654199 /nfs/dbraw/zinc/65/41/99/486654199.db2.gz LHYOVWZBYTUJOO-QGZVFWFLSA-N 1 2 330.432 1.266 20 30 EDEDLO CC(C)[C@@H](CNC(=O)c1cc(O)cc(C#N)c1)N1CC[NH+](C)CC1 ZINC000614299927 486654200 /nfs/dbraw/zinc/65/42/00/486654200.db2.gz LHYOVWZBYTUJOO-QGZVFWFLSA-N 1 2 330.432 1.266 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1-n1cncn1)[C@H]1CCS(=O)(=O)C1 ZINC000678204655 487265461 /nfs/dbraw/zinc/26/54/61/487265461.db2.gz HMBSPMMEKHXNRV-HNNXBMFYSA-N 1 2 332.429 1.442 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1-n1cncn1)[C@H]1CCS(=O)(=O)C1 ZINC000678204655 487265463 /nfs/dbraw/zinc/26/54/63/487265463.db2.gz HMBSPMMEKHXNRV-HNNXBMFYSA-N 1 2 332.429 1.442 20 30 EDEDLO C=CCCn1cc(C[NH2+]CC(=O)Nc2cc(OC)cc(OC)c2)nn1 ZINC000668245506 485508102 /nfs/dbraw/zinc/50/81/02/485508102.db2.gz GUJJCANWGDKDBA-UHFFFAOYSA-N 1 2 345.403 1.600 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000130850052 526633462 /nfs/dbraw/zinc/63/34/62/526633462.db2.gz IYCYYNFKQGLSIT-HNNXBMFYSA-N 1 2 349.438 1.919 20 30 EDEDLO C=CCC(CC=C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000153110342 527024740 /nfs/dbraw/zinc/02/47/40/527024740.db2.gz WYSKANBFIDCVSV-INIZCTEOSA-N 1 2 333.476 1.910 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000154655332 527343912 /nfs/dbraw/zinc/34/39/12/527343912.db2.gz PFTPUYLXPGLXGW-UHFFFAOYSA-N 1 2 342.399 1.735 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000171710373 529151164 /nfs/dbraw/zinc/15/11/64/529151164.db2.gz KOUQMZWWFBKBAO-GOSISDBHSA-N 1 2 341.459 1.480 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)c1cc(OC)c(OC)c(OC)c1 ZINC000741717809 579425740 /nfs/dbraw/zinc/42/57/40/579425740.db2.gz VAIIPJQZTFRGHX-AWEZNQCLSA-N 1 2 332.400 1.773 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)c1cc(OC)c(OC)c(OC)c1 ZINC000741717809 579425742 /nfs/dbraw/zinc/42/57/42/579425742.db2.gz VAIIPJQZTFRGHX-AWEZNQCLSA-N 1 2 332.400 1.773 20 30 EDEDLO C=CCNC(=S)N[NH+]=Cc1c(N2CCOCC2)nc2ccccn21 ZINC000741805832 579429301 /nfs/dbraw/zinc/42/93/01/579429301.db2.gz TVZNWSZKLTVWOF-UHFFFAOYSA-N 1 2 344.444 1.155 20 30 EDEDLO Cc1cc(N2CC[C@H](O[NH+]=C(N)c3ccc(F)cc3)C2=O)n(C)n1 ZINC000742353182 579449491 /nfs/dbraw/zinc/44/94/91/579449491.db2.gz SVAKQOMIOZLJQV-ZDUSSCGKSA-N 1 2 331.351 1.310 20 30 EDEDLO Cc1cccc(N=C2NC(=O)[C@@H](CC(=O)NCCC[NH+](C)C)S2)c1 ZINC000743277161 579474931 /nfs/dbraw/zinc/47/49/31/579474931.db2.gz JXSUGBHJIGITEP-CQSZACIVSA-N 1 2 348.472 1.672 20 30 EDEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CC(=O)NCCC#N)cn1 ZINC000726376218 578343333 /nfs/dbraw/zinc/34/33/33/578343333.db2.gz OTJMXRDTQLAJDS-QGZVFWFLSA-N 1 2 329.379 1.610 20 30 EDEDLO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CC(=O)NCCC#N)cn1 ZINC000726376218 578343334 /nfs/dbraw/zinc/34/33/34/578343334.db2.gz OTJMXRDTQLAJDS-QGZVFWFLSA-N 1 2 329.379 1.610 20 30 EDEDLO C=CCCC(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000726651229 578353048 /nfs/dbraw/zinc/35/30/48/578353048.db2.gz ORGNMELZNUNLAR-UHFFFAOYSA-N 1 2 346.427 1.644 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000728857152 578553067 /nfs/dbraw/zinc/55/30/67/578553067.db2.gz GWNUVCQERUWUOF-UHFFFAOYSA-N 1 2 330.391 1.893 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000729926859 578602345 /nfs/dbraw/zinc/60/23/45/578602345.db2.gz NSLVBJUUGVOOPX-ZIAGYGMSSA-N 1 2 333.436 1.010 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000730096317 578613940 /nfs/dbraw/zinc/61/39/40/578613940.db2.gz MRMVJFYZFYJYFV-KRWDZBQOSA-N 1 2 325.412 1.959 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000730096317 578613942 /nfs/dbraw/zinc/61/39/42/578613942.db2.gz MRMVJFYZFYJYFV-KRWDZBQOSA-N 1 2 325.412 1.959 20 30 EDEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000761110052 578646855 /nfs/dbraw/zinc/64/68/55/578646855.db2.gz SIMVKSLSPMMBNG-UHFFFAOYSA-N 1 2 325.206 1.969 20 30 EDEDLO C#CCOCC[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000761110052 578646856 /nfs/dbraw/zinc/64/68/56/578646856.db2.gz SIMVKSLSPMMBNG-UHFFFAOYSA-N 1 2 325.206 1.969 20 30 EDEDLO N#Cc1cccc(CNC(=O)COC(=O)c2ccc3[nH+]ccn3c2)c1 ZINC000732350896 578707120 /nfs/dbraw/zinc/70/71/20/578707120.db2.gz PWEBGSNVHRVGFY-UHFFFAOYSA-N 1 2 334.335 1.679 20 30 EDEDLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(C)(C)C ZINC000760917904 580041440 /nfs/dbraw/zinc/04/14/40/580041440.db2.gz YAGABUFKDIAWAB-GDBMZVCRSA-N 1 2 334.416 1.865 20 30 EDEDLO COc1ccc(CNC(=O)N(C)CC[NH+]2CCOCC2)cc1C#N ZINC000747430994 579643134 /nfs/dbraw/zinc/64/31/34/579643134.db2.gz GWRDQLFOUBOAFZ-UHFFFAOYSA-N 1 2 332.404 1.040 20 30 EDEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000748453743 579686801 /nfs/dbraw/zinc/68/68/01/579686801.db2.gz AQDNECYFGLZOQR-DOMZBBRYSA-N 1 2 331.372 1.149 20 30 EDEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000748453743 579686803 /nfs/dbraw/zinc/68/68/03/579686803.db2.gz AQDNECYFGLZOQR-DOMZBBRYSA-N 1 2 331.372 1.149 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](CC)Oc3ccccc32)CC1 ZINC000748825371 579702572 /nfs/dbraw/zinc/70/25/72/579702572.db2.gz SUIFIGZMIVLLEW-MRXNPFEDSA-N 1 2 327.428 1.441 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NCC[NH+]3CCC3)cc2[nH]c1=S ZINC000752298058 579844726 /nfs/dbraw/zinc/84/47/26/579844726.db2.gz PMJZIABWHAIWCC-UHFFFAOYSA-N 1 2 344.440 1.307 20 30 EDEDLO CC1(C)CCC[C@@H](C=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000752718654 579864301 /nfs/dbraw/zinc/86/43/01/579864301.db2.gz LMBJHZBHDDJPHL-CQSZACIVSA-N 1 2 326.510 1.985 20 30 EDEDLO C[C@H]1COCC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000753984907 579892841 /nfs/dbraw/zinc/89/28/41/579892841.db2.gz GQMQHAKPERBNRH-ACJLOTCBSA-N 1 2 342.399 1.251 20 30 EDEDLO C[C@H]1COCC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000753984907 579892842 /nfs/dbraw/zinc/89/28/42/579892842.db2.gz GQMQHAKPERBNRH-ACJLOTCBSA-N 1 2 342.399 1.251 20 30 EDEDLO Cc1[nH]c[nH+]c1C=NN1C(=S)N=NC1[C@H]1COc2ccccc2O1 ZINC000755542241 579929199 /nfs/dbraw/zinc/92/91/99/579929199.db2.gz LNFLGIRGMSHJHC-CYBMUJFWSA-N 1 2 342.384 1.993 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000756179568 579944973 /nfs/dbraw/zinc/94/49/73/579944973.db2.gz HMFTTYMZUDFDOT-UHFFFAOYSA-N 1 2 337.379 1.965 20 30 EDEDLO Cc1ccn(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000758215426 579977026 /nfs/dbraw/zinc/97/70/26/579977026.db2.gz JHHUCMLXRLUDOG-CQSZACIVSA-N 1 2 346.431 1.833 20 30 EDEDLO Cc1ccn(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000758215426 579977027 /nfs/dbraw/zinc/97/70/27/579977027.db2.gz JHHUCMLXRLUDOG-CQSZACIVSA-N 1 2 346.431 1.833 20 30 EDEDLO CC[C@H](CC#N)[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000762793654 580083574 /nfs/dbraw/zinc/08/35/74/580083574.db2.gz JLWPXSKRMKVUJH-VXGBXAGGSA-N 1 2 344.868 1.986 20 30 EDEDLO N#CCCCCOC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000766366991 580165423 /nfs/dbraw/zinc/16/54/23/580165423.db2.gz YENUUNQVFXVEEW-UHFFFAOYSA-N 1 2 344.415 1.747 20 30 EDEDLO N#Cc1c2c(cn(C[NH+]3CCC([C@@H]4CCOC4)CC3)c1=O)CCC2 ZINC000766634760 580170885 /nfs/dbraw/zinc/17/08/85/580170885.db2.gz ZQUSRHSMANNQPV-MRXNPFEDSA-N 1 2 327.428 1.915 20 30 EDEDLO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000768220535 580209217 /nfs/dbraw/zinc/20/92/17/580209217.db2.gz QXGYPWQBMUNDAY-UHFFFAOYSA-N 1 2 342.490 1.324 20 30 EDEDLO CN1CCc2cc(C=[NH+]Nc3ccccc3S(N)(=O)=O)ccc21 ZINC000773119876 580327551 /nfs/dbraw/zinc/32/75/51/580327551.db2.gz ADJWGFOAMIVHOB-UHFFFAOYSA-N 1 2 330.413 1.772 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccc(N(CC)CC)[nH+]c1)[C@@H]1CCCO1 ZINC000773212062 580330573 /nfs/dbraw/zinc/33/05/73/580330573.db2.gz GTSOSOSLSSOBNO-HOTGVXAUSA-N 1 2 330.432 1.908 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@@H]1CCCO1 ZINC000773553844 580340940 /nfs/dbraw/zinc/34/09/40/580340940.db2.gz AUEJIFHFKJELBA-SZMVWBNQSA-N 1 2 342.443 1.651 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H]1CCCO1 ZINC000775785553 580400312 /nfs/dbraw/zinc/40/03/12/580400312.db2.gz PQWHEZQNXOGSBT-TZMCWYRMSA-N 1 2 343.383 1.623 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)c1c[nH]c(C#N)c1 ZINC000776966879 580431917 /nfs/dbraw/zinc/43/19/17/580431917.db2.gz PFYJHZGHXOQARO-MRXNPFEDSA-N 1 2 348.366 1.156 20 30 EDEDLO N#Cc1ccc(NCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)nc1 ZINC000778591134 580468074 /nfs/dbraw/zinc/46/80/74/580468074.db2.gz VFEYKXGUVVVDNZ-UHFFFAOYSA-N 1 2 333.355 1.376 20 30 EDEDLO C#CCOCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000784546152 580623498 /nfs/dbraw/zinc/62/34/98/580623498.db2.gz VVXTUZHYGVCMGT-UHFFFAOYSA-N 1 2 335.473 1.788 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000785366671 580641309 /nfs/dbraw/zinc/64/13/09/580641309.db2.gz KZGFZEOILJAGEK-OAHLLOKOSA-N 1 2 335.448 1.457 20 30 EDEDLO CO[C@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000787222017 580689778 /nfs/dbraw/zinc/68/97/78/580689778.db2.gz VQCMABIKVDFHTH-KRWDZBQOSA-N 1 2 329.400 1.606 20 30 EDEDLO C#C[C@H](CCC)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000791068913 580783797 /nfs/dbraw/zinc/78/37/97/580783797.db2.gz FBUFUOUXUBUZRK-DLBZAZTESA-N 1 2 348.491 1.517 20 30 EDEDLO COC(=O)[C@@]1(C)CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793503667 580846290 /nfs/dbraw/zinc/84/62/90/580846290.db2.gz JASYWOHPRXODND-SFHVURJKSA-N 1 2 329.400 1.441 20 30 EDEDLO COC(=O)[C@@]1(C)CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793503667 580846291 /nfs/dbraw/zinc/84/62/91/580846291.db2.gz JASYWOHPRXODND-SFHVURJKSA-N 1 2 329.400 1.441 20 30 EDEDLO CC(C)[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589513 580848475 /nfs/dbraw/zinc/84/84/75/580848475.db2.gz HLXJWHMBPDTORL-HZPDHXFCSA-N 1 2 328.416 1.868 20 30 EDEDLO CC(C)[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589513 580848476 /nfs/dbraw/zinc/84/84/76/580848476.db2.gz HLXJWHMBPDTORL-HZPDHXFCSA-N 1 2 328.416 1.868 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](C#N)C1 ZINC000793821557 580857255 /nfs/dbraw/zinc/85/72/55/580857255.db2.gz XFFBNXSZLPMPDW-AAEUAGOBSA-N 1 2 333.392 1.218 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](C#N)C1 ZINC000793821557 580857256 /nfs/dbraw/zinc/85/72/56/580857256.db2.gz XFFBNXSZLPMPDW-AAEUAGOBSA-N 1 2 333.392 1.218 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000795046450 580911204 /nfs/dbraw/zinc/91/12/04/580911204.db2.gz ZATSKWNFZVRLRV-GOSISDBHSA-N 1 2 326.375 1.948 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCc2ccc(C#N)cn2)CC1 ZINC000798462518 580998228 /nfs/dbraw/zinc/99/82/28/580998228.db2.gz IMQHYVINWMTPQE-UHFFFAOYSA-N 1 2 336.399 1.689 20 30 EDEDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801911753 581087681 /nfs/dbraw/zinc/08/76/81/581087681.db2.gz BHMKOYAVBAJMEA-KRWDZBQOSA-N 1 2 344.459 1.788 20 30 EDEDLO C[C@H](C#N)OCC[N@@H+]1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000801927144 581088297 /nfs/dbraw/zinc/08/82/97/581088297.db2.gz IKGDBLXHTYPSRF-MCIONIFRSA-N 1 2 327.425 1.529 20 30 EDEDLO C[C@H](C#N)OCC[N@H+]1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000801927144 581088298 /nfs/dbraw/zinc/08/82/98/581088298.db2.gz IKGDBLXHTYPSRF-MCIONIFRSA-N 1 2 327.425 1.529 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 ZINC000128370115 590680674 /nfs/dbraw/zinc/68/06/74/590680674.db2.gz MIUNHCNCHLSZCE-INIZCTEOSA-N 1 2 325.412 1.125 20 30 EDEDLO C#CCOc1ccc(C(=O)O[C@@H]2C[N@H+](C)[C@](C)(C(=O)OC)C2)cc1 ZINC000893578560 590981477 /nfs/dbraw/zinc/98/14/77/590981477.db2.gz FYXLJWYFLVTAAT-YJBOKZPZSA-N 1 2 331.368 1.491 20 30 EDEDLO C#CCOc1ccc(C(=O)O[C@@H]2C[N@@H+](C)[C@](C)(C(=O)OC)C2)cc1 ZINC000893578560 590981478 /nfs/dbraw/zinc/98/14/78/590981478.db2.gz FYXLJWYFLVTAAT-YJBOKZPZSA-N 1 2 331.368 1.491 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891394273 591066430 /nfs/dbraw/zinc/06/64/30/591066430.db2.gz BZCBRBMVPORQNP-CVEARBPZSA-N 1 2 341.427 1.168 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000891608125 591145727 /nfs/dbraw/zinc/14/57/27/591145727.db2.gz XUWMJRMFCDVBBF-INIZCTEOSA-N 1 2 327.428 1.764 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000891608125 591145731 /nfs/dbraw/zinc/14/57/31/591145731.db2.gz XUWMJRMFCDVBBF-INIZCTEOSA-N 1 2 327.428 1.764 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3c4c(nn3C)CCC4)CC2)c1C#N ZINC000893949448 591147253 /nfs/dbraw/zinc/14/72/53/591147253.db2.gz NWCOORJTPGCVID-UHFFFAOYSA-N 1 2 339.447 1.145 20 30 EDEDLO N#CCN1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000893993314 591156859 /nfs/dbraw/zinc/15/68/59/591156859.db2.gz ODIYMQCHXIVETJ-UHFFFAOYSA-N 1 2 328.185 1.935 20 30 EDEDLO C#CCSCC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000895706375 591255662 /nfs/dbraw/zinc/25/56/62/591255662.db2.gz JRANDMAXCLDILC-UHFFFAOYSA-N 1 2 335.448 1.430 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC#CCO)c1ccc(F)cc1F ZINC000896146453 591363272 /nfs/dbraw/zinc/36/32/72/591363272.db2.gz RDRKLSRCWUPSOI-AWEZNQCLSA-N 1 2 334.326 1.083 20 30 EDEDLO COCCOc1ccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)o1 ZINC000895494128 591776953 /nfs/dbraw/zinc/77/69/53/591776953.db2.gz YCHHSUPYWFFEHD-UHFFFAOYSA-N 1 2 342.399 1.894 20 30 EDEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1c(C)cc(C#N)cc1C ZINC000898081408 591780953 /nfs/dbraw/zinc/78/09/53/591780953.db2.gz DZMDNWRRPQHXAX-MRXNPFEDSA-N 1 2 340.383 1.272 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1nc(C#N)cs1 ZINC000897275984 591804582 /nfs/dbraw/zinc/80/45/82/591804582.db2.gz VYXHPUGNONEMOS-DGCLKSJQSA-N 1 2 335.433 1.019 20 30 EDEDLO C#CCCCc1nnc(N(C)CC[NH+]2CCOCC2)n1CC(C)C ZINC000909624786 591866136 /nfs/dbraw/zinc/86/61/36/591866136.db2.gz OTHVXMSZFXCWES-UHFFFAOYSA-N 1 2 333.480 1.658 20 30 EDEDLO O=C(c1cccc(C#CCO)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000900099678 591902314 /nfs/dbraw/zinc/90/23/14/591902314.db2.gz SLQVFIKSSCAVDK-UHFFFAOYSA-N 1 2 335.407 1.383 20 30 EDEDLO C=CC[N@H+](CN1C(=O)[C@@H]2C[C@]2(c2ccccc2)C1=O)[C@H](C)COC ZINC000902311661 591974675 /nfs/dbraw/zinc/97/46/75/591974675.db2.gz GECIAVVUHPECQI-SIXWZSSISA-N 1 2 328.412 1.794 20 30 EDEDLO C=CC[N@@H+](CN1C(=O)[C@@H]2C[C@]2(c2ccccc2)C1=O)[C@H](C)COC ZINC000902311661 591974677 /nfs/dbraw/zinc/97/46/77/591974677.db2.gz GECIAVVUHPECQI-SIXWZSSISA-N 1 2 328.412 1.794 20 30 EDEDLO C[C@H](C#N)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000900399975 592008169 /nfs/dbraw/zinc/00/81/69/592008169.db2.gz JNCNZQJLKCQJHG-GFCCVEGCSA-N 1 2 336.823 1.726 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C(=O)OC)c3cccnc23)nn1 ZINC000900610294 592068611 /nfs/dbraw/zinc/06/86/11/592068611.db2.gz OHJGGZAIOYPPMV-UHFFFAOYSA-N 1 2 349.394 1.774 20 30 EDEDLO C/C(=C\C(=O)NCc1cc(F)c(C#N)c(F)c1)C[NH+]1CCOCC1 ZINC000907976483 592245665 /nfs/dbraw/zinc/24/56/65/592245665.db2.gz UHLUQYXEYCQFCQ-WUXMJOGZSA-N 1 2 335.354 1.731 20 30 EDEDLO CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000904676895 592310295 /nfs/dbraw/zinc/31/02/95/592310295.db2.gz HTXALSPBIXDSRM-CVEARBPZSA-N 1 2 337.464 1.797 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccsc1C#N)C2 ZINC000908114038 592327275 /nfs/dbraw/zinc/32/72/75/592327275.db2.gz CKKOOAJDJWASDR-NSHDSACASA-N 1 2 330.413 1.404 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)CC1 ZINC000906784086 592332944 /nfs/dbraw/zinc/33/29/44/592332944.db2.gz VXNUJOVJGJPKKG-BLMJYLKSSA-N 1 2 337.489 1.229 20 30 EDEDLO C=CCCCC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000907585183 592722286 /nfs/dbraw/zinc/72/22/86/592722286.db2.gz VTZZAVNQESYOFX-KRWDZBQOSA-N 1 2 326.400 1.999 20 30 EDEDLO C#CCSCC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000907585232 592722596 /nfs/dbraw/zinc/72/25/96/592722596.db2.gz WBVADSOBOBFCJP-MRXNPFEDSA-N 1 2 342.424 1.009 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000906176106 592755960 /nfs/dbraw/zinc/75/59/60/592755960.db2.gz ZJNALPXNHLDYLK-RDJZCZTQSA-N 1 2 333.432 1.917 20 30 EDEDLO C#CCN(C)C(=O)c1ccc(NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000907682329 592756098 /nfs/dbraw/zinc/75/60/98/592756098.db2.gz QLJLULZLGXXMOG-UHFFFAOYSA-N 1 2 335.835 1.789 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2nc(Cl)c(C#N)s2)[C@H](C)CO1 ZINC000888426081 593057368 /nfs/dbraw/zinc/05/73/68/593057368.db2.gz JVEJBUDWODMFJI-RKDXNWHRSA-N 1 2 343.840 1.899 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2nc(Cl)c(C#N)s2)[C@H](C)CO1 ZINC000888426081 593057369 /nfs/dbraw/zinc/05/73/69/593057369.db2.gz JVEJBUDWODMFJI-RKDXNWHRSA-N 1 2 343.840 1.899 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H](C)CO1 ZINC000888426080 593057380 /nfs/dbraw/zinc/05/73/80/593057380.db2.gz JVEJBUDWODMFJI-IUCAKERBSA-N 1 2 343.840 1.899 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H](C)CO1 ZINC000888426080 593057381 /nfs/dbraw/zinc/05/73/81/593057381.db2.gz JVEJBUDWODMFJI-IUCAKERBSA-N 1 2 343.840 1.899 20 30 EDEDLO COc1ccc(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000838525432 593179841 /nfs/dbraw/zinc/17/98/41/593179841.db2.gz VMACRTHBRKWRRM-IYBDPMFKSA-N 1 2 344.415 1.229 20 30 EDEDLO COc1ccc(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000838525432 593179843 /nfs/dbraw/zinc/17/98/43/593179843.db2.gz VMACRTHBRKWRRM-IYBDPMFKSA-N 1 2 344.415 1.229 20 30 EDEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1=S ZINC000840110819 593191843 /nfs/dbraw/zinc/19/18/43/593191843.db2.gz UMMYBRRABKSBHV-LBPRGKRZSA-N 1 2 338.481 1.566 20 30 EDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1=S ZINC000840110819 593191844 /nfs/dbraw/zinc/19/18/44/593191844.db2.gz UMMYBRRABKSBHV-LBPRGKRZSA-N 1 2 338.481 1.566 20 30 EDEDLO CC(C)(C)NS(=O)(=O)c1ccc(N[NH+]=Cc2ccc(N)nc2)nc1 ZINC000807962066 593212409 /nfs/dbraw/zinc/21/24/09/593212409.db2.gz BRGPKQNHVWEIBC-UHFFFAOYSA-N 1 2 348.432 1.582 20 30 EDEDLO Cc1ccccc1-n1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)nn1 ZINC000807984541 593214053 /nfs/dbraw/zinc/21/40/53/593214053.db2.gz RUGDGAMSZQFXTP-UHFFFAOYSA-N 1 2 345.370 1.997 20 30 EDEDLO COC(=O)[C@]1(C)CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000840185891 593364125 /nfs/dbraw/zinc/36/41/25/593364125.db2.gz UIAUFPMIBCGSDI-GOSISDBHSA-N 1 2 329.400 1.441 20 30 EDEDLO COC(=O)[C@]1(C)CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000840185891 593364128 /nfs/dbraw/zinc/36/41/28/593364128.db2.gz UIAUFPMIBCGSDI-GOSISDBHSA-N 1 2 329.400 1.441 20 30 EDEDLO Cn1ccnc1[C@](O)(C[NH2+]Cc1nc(C#N)cs1)C(F)(F)F ZINC000810144220 593386291 /nfs/dbraw/zinc/38/62/91/593386291.db2.gz UMKHXZLORMSPNW-LLVKDONJSA-N 1 2 331.323 1.288 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@H](n4cc(Cl)cn4)C3)c1=O)CCC2 ZINC000811804059 593483074 /nfs/dbraw/zinc/48/30/74/593483074.db2.gz ZUMHBGQAKZXELP-AWEZNQCLSA-N 1 2 343.818 1.963 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@H](n4cc(Cl)cn4)C3)c1=O)CCC2 ZINC000811804059 593483075 /nfs/dbraw/zinc/48/30/75/593483075.db2.gz ZUMHBGQAKZXELP-AWEZNQCLSA-N 1 2 343.818 1.963 20 30 EDEDLO CC(C)(C#N)[C@@H]1CCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000814717343 593601377 /nfs/dbraw/zinc/60/13/77/593601377.db2.gz UVJDVTHPOGOSKF-CYBMUJFWSA-N 1 2 337.493 1.489 20 30 EDEDLO CO[C@H](CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000818076159 593664470 /nfs/dbraw/zinc/66/44/70/593664470.db2.gz DAKPEARVARJBQY-QGZVFWFLSA-N 1 2 333.432 1.581 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1cccc(C#N)c1 ZINC000820404373 593816747 /nfs/dbraw/zinc/81/67/47/593816747.db2.gz UFNNOGCMADFJNY-BDJLRTHQSA-N 1 2 347.382 1.616 20 30 EDEDLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000826176055 594363243 /nfs/dbraw/zinc/36/32/43/594363243.db2.gz YOKPWVZPUMPQRQ-QGZVFWFLSA-N 1 2 342.403 1.880 20 30 EDEDLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000826176055 594363246 /nfs/dbraw/zinc/36/32/46/594363246.db2.gz YOKPWVZPUMPQRQ-QGZVFWFLSA-N 1 2 342.403 1.880 20 30 EDEDLO COc1cc(C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)ccc1C#N ZINC000828741891 594491978 /nfs/dbraw/zinc/49/19/78/594491978.db2.gz BUKOJNHNJYEARI-GFCCVEGCSA-N 1 2 344.440 1.816 20 30 EDEDLO N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000827407849 594668983 /nfs/dbraw/zinc/66/89/83/594668983.db2.gz CDCWWVHAWQHSMC-HUUCEWRRSA-N 1 2 339.374 1.873 20 30 EDEDLO N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000827407849 594668984 /nfs/dbraw/zinc/66/89/84/594668984.db2.gz CDCWWVHAWQHSMC-HUUCEWRRSA-N 1 2 339.374 1.873 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000833971769 594978016 /nfs/dbraw/zinc/97/80/16/594978016.db2.gz MYLHWRBGRXBBOQ-KRWDZBQOSA-N 1 2 328.416 1.865 20 30 EDEDLO C=C[C@H](C)ONC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000845621343 595033802 /nfs/dbraw/zinc/03/38/02/595033802.db2.gz FYBKHZLPCZPDAK-HLIUYOAVSA-N 1 2 327.425 1.062 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1=O ZINC000842238852 595049806 /nfs/dbraw/zinc/04/98/06/595049806.db2.gz ZWBKTIXVCOEIBO-IRXDYDNUSA-N 1 2 341.411 1.312 20 30 EDEDLO C[C@H](CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)n1cc[nH+]c1 ZINC000845944279 595102519 /nfs/dbraw/zinc/10/25/19/595102519.db2.gz OJDWXCGMJGWPCY-HZSPNIEDSA-N 1 2 347.419 1.709 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)[C@@H]1CCCC[C@@H]1C ZINC000834920473 595238782 /nfs/dbraw/zinc/23/87/82/595238782.db2.gz QSPBLSXIYZLMHC-DZGCQCFKSA-N 1 2 326.510 1.985 20 30 EDEDLO COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(C#N)cc1 ZINC000842961465 595243780 /nfs/dbraw/zinc/24/37/80/595243780.db2.gz CICKZSIAPRJPDX-PBHICJAKSA-N 1 2 348.399 1.216 20 30 EDEDLO COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)COc1ccc(C#N)cc1 ZINC000842961465 595243781 /nfs/dbraw/zinc/24/37/81/595243781.db2.gz CICKZSIAPRJPDX-PBHICJAKSA-N 1 2 348.399 1.216 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)C(=O)NCc1cccs1 ZINC000844027027 595250048 /nfs/dbraw/zinc/25/00/48/595250048.db2.gz YHNYXUXOXUJREX-CABCVRRESA-N 1 2 333.457 1.357 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC)C(=O)NCc1cccs1 ZINC000844027027 595250050 /nfs/dbraw/zinc/25/00/50/595250050.db2.gz YHNYXUXOXUJREX-CABCVRRESA-N 1 2 333.457 1.357 20 30 EDEDLO Cn1c(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)nc2ccccc2c1=O ZINC000844366318 595331088 /nfs/dbraw/zinc/33/10/88/595331088.db2.gz MACITJUDDHVMRD-SFHVURJKSA-N 1 2 348.406 1.971 20 30 EDEDLO Cn1c(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)nc2ccccc2c1=O ZINC000844366318 595331092 /nfs/dbraw/zinc/33/10/92/595331092.db2.gz MACITJUDDHVMRD-SFHVURJKSA-N 1 2 348.406 1.971 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000848281272 595353369 /nfs/dbraw/zinc/35/33/69/595353369.db2.gz XWQULWBOIJZHKC-OAHLLOKOSA-N 1 2 348.468 1.507 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000844529757 595355732 /nfs/dbraw/zinc/35/57/32/595355732.db2.gz WGDXOJOMNXDIRU-INIZCTEOSA-N 1 2 335.839 1.909 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1 ZINC000847282136 595387017 /nfs/dbraw/zinc/38/70/17/595387017.db2.gz RQCRYQCZPMLXJQ-JKSUJKDBSA-N 1 2 342.443 1.862 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000847295651 595389513 /nfs/dbraw/zinc/38/95/13/595389513.db2.gz NKJSQHPWSRBLNU-WBVHZDCISA-N 1 2 337.489 1.249 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867375065 595415293 /nfs/dbraw/zinc/41/52/93/595415293.db2.gz VIVHRPINMIAFJM-IHWYPQMZSA-N 1 2 345.399 1.410 20 30 EDEDLO C#C[C@H](NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)C1CCOCC1 ZINC000850689113 595594418 /nfs/dbraw/zinc/59/44/18/595594418.db2.gz KWHSVFJTWRMOCF-HNNXBMFYSA-N 1 2 329.400 1.490 20 30 EDEDLO C#CCN(CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)C(=O)OC(C)(C)C ZINC000857936330 595658211 /nfs/dbraw/zinc/65/82/11/595658211.db2.gz OKLDMDXVWONGRJ-CYBMUJFWSA-N 1 2 332.404 1.184 20 30 EDEDLO NC(C[NH+]1CCSCC1)=NOCc1ccc([N+](=O)[O-])cc1F ZINC000136074773 595708931 /nfs/dbraw/zinc/70/89/31/595708931.db2.gz NRKTXXUZIMNKHR-UHFFFAOYSA-N 1 2 328.369 1.572 20 30 EDEDLO C#CC[C@H](CCOC)Nc1[nH+]cnc2c1c(Br)nn2C ZINC000858857025 595907131 /nfs/dbraw/zinc/90/71/31/595907131.db2.gz JYERJAPIHOTAKV-SECBINFHSA-N 1 2 338.209 1.966 20 30 EDEDLO CC(C)(C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C#N)cc1 ZINC000861905611 596144205 /nfs/dbraw/zinc/14/42/05/596144205.db2.gz XOGHEBMLSBLRKT-CALCHBBNSA-N 1 2 327.428 1.815 20 30 EDEDLO CC(C)(C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C#N)cc1 ZINC000861905611 596144206 /nfs/dbraw/zinc/14/42/06/596144206.db2.gz XOGHEBMLSBLRKT-CALCHBBNSA-N 1 2 327.428 1.815 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000861933144 596153525 /nfs/dbraw/zinc/15/35/25/596153525.db2.gz ZTCWNDPPDVMSMO-UHFFFAOYSA-N 1 2 327.388 1.924 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1C#N ZINC000852436059 596161546 /nfs/dbraw/zinc/16/15/46/596161546.db2.gz FHRXSTJTPDYUBH-CYBMUJFWSA-N 1 2 329.356 1.371 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c1C#N ZINC000852436059 596161548 /nfs/dbraw/zinc/16/15/48/596161548.db2.gz FHRXSTJTPDYUBH-CYBMUJFWSA-N 1 2 329.356 1.371 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000859823383 596203119 /nfs/dbraw/zinc/20/31/19/596203119.db2.gz CVACQKXYFXQQOO-NXHRZFHOSA-N 1 2 332.400 1.085 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000859823383 596203121 /nfs/dbraw/zinc/20/31/21/596203121.db2.gz CVACQKXYFXQQOO-NXHRZFHOSA-N 1 2 332.400 1.085 20 30 EDEDLO C=C[C@@H](C)ONC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000869154300 596427201 /nfs/dbraw/zinc/42/72/01/596427201.db2.gz QPXAKRIWEKVNNJ-CYBMUJFWSA-N 1 2 337.395 1.806 20 30 EDEDLO Cc1nc(NC(=O)/C=C/C[NH+]2CCOCC2)sc1SCC#N ZINC000865090627 596470674 /nfs/dbraw/zinc/47/06/74/596470674.db2.gz MCICSDMAKBDSOL-NSCUHMNNSA-N 1 2 338.458 1.894 20 30 EDEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)NCc1ccccc1)[C@@H]1CCSC1 ZINC000123594577 596538038 /nfs/dbraw/zinc/53/80/38/596538038.db2.gz FIEXTMLJLQAGLS-CABCVRRESA-N 1 2 331.441 1.449 20 30 EDEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)NCc1ccccc1)[C@@H]1CCSC1 ZINC000123594577 596538040 /nfs/dbraw/zinc/53/80/40/596538040.db2.gz FIEXTMLJLQAGLS-CABCVRRESA-N 1 2 331.441 1.449 20 30 EDEDLO N#Cc1ccc(CC(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)cn1 ZINC000871423028 596578840 /nfs/dbraw/zinc/57/88/40/596578840.db2.gz KVJJPPUOZCBHNZ-QGZVFWFLSA-N 1 2 333.395 1.902 20 30 EDEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000863481186 596593997 /nfs/dbraw/zinc/59/39/97/596593997.db2.gz BJSRUUTXSAAOBD-OAHLLOKOSA-N 1 2 325.412 1.850 20 30 EDEDLO C=CCC(F)(F)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000863497426 596600260 /nfs/dbraw/zinc/60/02/60/596600260.db2.gz TVNCANFRLJEZEI-CQSZACIVSA-N 1 2 325.359 1.610 20 30 EDEDLO C=CCC(F)(F)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000863497426 596600263 /nfs/dbraw/zinc/60/02/63/596600263.db2.gz TVNCANFRLJEZEI-CQSZACIVSA-N 1 2 325.359 1.610 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865554336 596609745 /nfs/dbraw/zinc/60/97/45/596609745.db2.gz XUSNZOWBMCDCEA-HSZRJFAPSA-N 1 2 346.378 1.473 20 30 EDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc(C(F)(F)F)cc(C#N)n1 ZINC000865595156 596622045 /nfs/dbraw/zinc/62/20/45/596622045.db2.gz CIUQNVJUOQYZNO-CYBMUJFWSA-N 1 2 344.337 1.101 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000865686827 596650586 /nfs/dbraw/zinc/65/05/86/596650586.db2.gz SUJMUYRSKFQMMO-UHFFFAOYSA-N 1 2 340.431 1.926 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000863799781 596690195 /nfs/dbraw/zinc/69/01/95/596690195.db2.gz QOKDJANNOIREOZ-WBVHZDCISA-N 1 2 347.434 1.491 20 30 EDEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000865872775 596707307 /nfs/dbraw/zinc/70/73/07/596707307.db2.gz UZGWPCOUYMCGQO-IMXKFXGHSA-N 1 2 343.427 1.872 20 30 EDEDLO Cc1cccc(OCCNC(=O)CO[NH+]=C(N)c2ccccc2)c1 ZINC000019296412 596770759 /nfs/dbraw/zinc/77/07/59/596770759.db2.gz YEYHQTUWNKKQNI-UHFFFAOYSA-N 1 2 327.384 1.827 20 30 EDEDLO COc1cccc([C@H]2CN(C(=O)CC3(C#N)CCOCC3)CC[NH2+]2)c1 ZINC000870152739 596776814 /nfs/dbraw/zinc/77/68/14/596776814.db2.gz DPSJMYKKFADVNJ-QGZVFWFLSA-N 1 2 343.427 1.879 20 30 EDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000866138384 596801391 /nfs/dbraw/zinc/80/13/91/596801391.db2.gz ZPESFUAFIYYIEE-UHFFFAOYSA-N 1 2 332.404 1.422 20 30 EDEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNc3c(C#N)cnn3C)C2)cc1 ZINC000866191276 596823337 /nfs/dbraw/zinc/82/33/37/596823337.db2.gz ZCOOCZNGMXEQOI-QGZVFWFLSA-N 1 2 325.416 1.913 20 30 EDEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNc3c(C#N)cnn3C)C2)cc1 ZINC000866191276 596823339 /nfs/dbraw/zinc/82/33/39/596823339.db2.gz ZCOOCZNGMXEQOI-QGZVFWFLSA-N 1 2 325.416 1.913 20 30 EDEDLO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(C#N)c1O ZINC000866304352 596851955 /nfs/dbraw/zinc/85/19/55/596851955.db2.gz CAWFKAPTARZDIB-LBPRGKRZSA-N 1 2 349.456 1.871 20 30 EDEDLO C=CCC1(C=NNC(=S)NCC[NH+]2CCOCC2)CCOCC1 ZINC000872328989 596881411 /nfs/dbraw/zinc/88/14/11/596881411.db2.gz HZHIBOYJMHWESD-UHFFFAOYSA-N 1 2 340.493 1.141 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000875829510 597000740 /nfs/dbraw/zinc/00/07/40/597000740.db2.gz BPHVHZBPVQTCNR-AWEZNQCLSA-N 1 2 331.420 1.364 20 30 EDEDLO Cc1cccc([C@@H]2CC(=O)N(C[NH+]3CCN(CCC#N)CC3)C2)c1 ZINC000872733950 597051268 /nfs/dbraw/zinc/05/12/68/597051268.db2.gz SJMZQMKCTXHPMS-GOSISDBHSA-N 1 2 326.444 1.800 20 30 EDEDLO N#C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CCN1C1CC1 ZINC000874461521 597090377 /nfs/dbraw/zinc/09/03/77/597090377.db2.gz ZJLBCGYDVZDBRX-HNNXBMFYSA-N 1 2 337.383 1.390 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000876554327 597237690 /nfs/dbraw/zinc/23/76/90/597237690.db2.gz KEAUWJVOEJRJDJ-UHFFFAOYSA-N 1 2 333.823 1.026 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(F)cccc2OCC)CC1 ZINC000876554807 597238502 /nfs/dbraw/zinc/23/85/02/597238502.db2.gz TVUNDJWCEBPIFJ-UHFFFAOYSA-N 1 2 335.423 1.644 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000876556428 597239334 /nfs/dbraw/zinc/23/93/34/597239334.db2.gz RFDHWRCMRNZUPU-LBPRGKRZSA-N 1 2 347.850 1.391 20 30 EDEDLO CC#CCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@@H]2C1 ZINC000875504841 597455814 /nfs/dbraw/zinc/45/58/14/597455814.db2.gz WJJVULMYENVEFB-CVEARBPZSA-N 1 2 328.416 1.614 20 30 EDEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000873938365 597459949 /nfs/dbraw/zinc/45/99/49/597459949.db2.gz JJNCUFILCVXQPG-ZFWWWQNUSA-N 1 2 345.447 1.518 20 30 EDEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000873938365 597459952 /nfs/dbraw/zinc/45/99/52/597459952.db2.gz JJNCUFILCVXQPG-ZFWWWQNUSA-N 1 2 345.447 1.518 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875555581 597476496 /nfs/dbraw/zinc/47/64/96/597476496.db2.gz YYZGGINAJWRSBY-JYJNAYRXSA-N 1 2 325.453 1.378 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875555581 597476499 /nfs/dbraw/zinc/47/64/99/597476499.db2.gz YYZGGINAJWRSBY-JYJNAYRXSA-N 1 2 325.453 1.378 20 30 EDEDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000877459783 597518998 /nfs/dbraw/zinc/51/89/98/597518998.db2.gz MCPNEOKMCSRDHC-UHFFFAOYSA-N 1 2 327.388 1.932 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877789447 597557013 /nfs/dbraw/zinc/55/70/13/597557013.db2.gz IUIDCFHYFHEHFK-HOCLYGCPSA-N 1 2 333.457 1.491 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877789447 597557014 /nfs/dbraw/zinc/55/70/14/597557014.db2.gz IUIDCFHYFHEHFK-HOCLYGCPSA-N 1 2 333.457 1.491 20 30 EDEDLO C=CC[N@H+](C[C@H]1CC2(CO1)CCOCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000878243039 597589356 /nfs/dbraw/zinc/58/93/56/597589356.db2.gz YOEFNLIKFZIQFF-HUUCEWRRSA-N 1 2 329.462 1.247 20 30 EDEDLO C=CC[N@@H+](C[C@H]1CC2(CO1)CCOCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000878243039 597589357 /nfs/dbraw/zinc/58/93/57/597589357.db2.gz YOEFNLIKFZIQFF-HUUCEWRRSA-N 1 2 329.462 1.247 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000878643522 597666340 /nfs/dbraw/zinc/66/63/40/597666340.db2.gz MRBZFBTXHCDLOX-FUHWJXTLSA-N 1 2 348.468 1.794 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](CS(C)(=O)=O)C1)c1ccccc1 ZINC000878643522 597666343 /nfs/dbraw/zinc/66/63/43/597666343.db2.gz MRBZFBTXHCDLOX-FUHWJXTLSA-N 1 2 348.468 1.794 20 30 EDEDLO C#CC1(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCC1 ZINC000883184377 597679873 /nfs/dbraw/zinc/67/98/73/597679873.db2.gz VIEGRNHQRZRWMW-QGZVFWFLSA-N 1 2 337.489 1.440 20 30 EDEDLO CONC(=O)C1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000879924634 597767282 /nfs/dbraw/zinc/76/72/82/597767282.db2.gz SHTQBQKJHWRDMT-UHFFFAOYSA-N 1 2 331.372 1.234 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(CO)(CO)CC2)c1C#N ZINC000879970344 597790744 /nfs/dbraw/zinc/79/07/44/597790744.db2.gz NNIIBHDQRWFMMO-UHFFFAOYSA-N 1 2 340.427 1.619 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc([C@]2(C)COC(=O)N2)c1 ZINC000882248901 597912812 /nfs/dbraw/zinc/91/28/12/597912812.db2.gz UVYVOFNHPPDZPM-YJBOKZPZSA-N 1 2 327.384 1.678 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc([C@]2(C)COC(=O)N2)c1 ZINC000882248901 597912814 /nfs/dbraw/zinc/91/28/14/597912814.db2.gz UVYVOFNHPPDZPM-YJBOKZPZSA-N 1 2 327.384 1.678 20 30 EDEDLO Cc1cccn2cc(CC(=O)N3C[C@@H](C)N(CC#N)[C@@H](C)C3)[nH+]c12 ZINC000880458090 597938333 /nfs/dbraw/zinc/93/83/33/597938333.db2.gz DIZVGUDNDSLFJN-GASCZTMLSA-N 1 2 325.416 1.630 20 30 EDEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000880481587 597942561 /nfs/dbraw/zinc/94/25/61/597942561.db2.gz LESOWLDFGUELHC-UHFFFAOYSA-N 1 2 330.384 1.262 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1SCCc2ccccc21 ZINC000884159192 598010762 /nfs/dbraw/zinc/01/07/62/598010762.db2.gz UZHLWDNPRWWXGO-LSDHHAIUSA-N 1 2 334.441 1.580 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000884318688 598065068 /nfs/dbraw/zinc/06/50/68/598065068.db2.gz CLLCKIUIFGDKLL-HIFRSBDPSA-N 1 2 349.406 1.357 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001046395056 695158934 /nfs/dbraw/zinc/15/89/34/695158934.db2.gz ZXCYFSTUZTUNRB-RISCZKNCSA-N 1 2 344.253 1.002 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001046395056 695158935 /nfs/dbraw/zinc/15/89/35/695158935.db2.gz ZXCYFSTUZTUNRB-RISCZKNCSA-N 1 2 344.253 1.002 20 30 EDEDLO CC(C)(C#N)CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000914255586 695316491 /nfs/dbraw/zinc/31/64/91/695316491.db2.gz QPQHBVZZFQFUNW-UONOGXRCSA-N 1 2 329.466 1.099 20 30 EDEDLO C#CCOc1ccc(C(=O)NC2C[NH+](C[C@H]3CC[C@H](C)O3)C2)cc1 ZINC001031066706 695449334 /nfs/dbraw/zinc/44/93/34/695449334.db2.gz LPWKPMLPVCGCBG-KBXCAEBGSA-N 1 2 328.412 1.680 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc2[nH]c1=S ZINC000914863444 695671260 /nfs/dbraw/zinc/67/12/60/695671260.db2.gz ODXONYFIIATWCG-LLVKDONJSA-N 1 2 346.456 1.551 20 30 EDEDLO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)on1 ZINC000993167720 695716033 /nfs/dbraw/zinc/71/60/33/695716033.db2.gz FKUWRKLVLAFRAZ-FZMZJTMJSA-N 1 2 343.387 1.666 20 30 EDEDLO COc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)on1 ZINC000993167720 695716034 /nfs/dbraw/zinc/71/60/34/695716034.db2.gz FKUWRKLVLAFRAZ-FZMZJTMJSA-N 1 2 343.387 1.666 20 30 EDEDLO CCn1nncc1C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000993210721 695808267 /nfs/dbraw/zinc/80/82/67/695808267.db2.gz VKWDIRVKRQCOBP-DOMZBBRYSA-N 1 2 341.419 1.281 20 30 EDEDLO CCn1nncc1C[N@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000993210721 695808271 /nfs/dbraw/zinc/80/82/71/695808271.db2.gz VKWDIRVKRQCOBP-DOMZBBRYSA-N 1 2 341.419 1.281 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1Cc1ccn(C)n1 ZINC000993211735 695810867 /nfs/dbraw/zinc/81/08/67/695810867.db2.gz YIZWPJYIPQIOST-WFASDCNBSA-N 1 2 326.404 1.403 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1Cc1ccn(C)n1 ZINC000993211735 695810872 /nfs/dbraw/zinc/81/08/72/695810872.db2.gz YIZWPJYIPQIOST-WFASDCNBSA-N 1 2 326.404 1.403 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000993575142 696229725 /nfs/dbraw/zinc/22/97/25/696229725.db2.gz FPDXPXAEQUBGJN-IBGZPJMESA-N 1 2 344.459 1.691 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CN2CCCNC2=O)[C@H]1C ZINC000993575640 696229765 /nfs/dbraw/zinc/22/97/65/696229765.db2.gz YQOZVHQUOFDTQG-OLZOCXBDSA-N 1 2 328.844 1.123 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CN2CCCNC2=O)[C@H]1C ZINC000993575640 696229767 /nfs/dbraw/zinc/22/97/67/696229767.db2.gz YQOZVHQUOFDTQG-OLZOCXBDSA-N 1 2 328.844 1.123 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)C(C)(C)C ZINC000993606031 696255049 /nfs/dbraw/zinc/25/50/49/696255049.db2.gz IVCXWGRXXKDGKP-HUUCEWRRSA-N 1 2 342.443 1.290 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccns3)[C@@H]2C)nn1 ZINC000993953541 696476761 /nfs/dbraw/zinc/47/67/61/696476761.db2.gz RUJLBMOEWPCWEN-TZMCWYRMSA-N 1 2 346.460 1.704 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccns3)[C@@H]2C)nn1 ZINC000993953541 696476762 /nfs/dbraw/zinc/47/67/62/696476762.db2.gz RUJLBMOEWPCWEN-TZMCWYRMSA-N 1 2 346.460 1.704 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C)C1 ZINC000939985188 700103419 /nfs/dbraw/zinc/10/34/19/700103419.db2.gz LIOQOKPDTVMHIH-HUUCEWRRSA-N 1 2 344.459 1.672 20 30 EDEDLO C=C(Br)CN1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994512309 696957284 /nfs/dbraw/zinc/95/72/84/696957284.db2.gz XWGCGDPAHZIISX-OLZOCXBDSA-N 1 2 341.253 1.761 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H]1C ZINC000994562502 697137587 /nfs/dbraw/zinc/13/75/87/697137587.db2.gz PWDBQKRQYSEZSX-YPMHNXCESA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H]1C ZINC000994562502 697137589 /nfs/dbraw/zinc/13/75/89/697137589.db2.gz PWDBQKRQYSEZSX-YPMHNXCESA-N 1 2 336.823 1.516 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000918816009 697211694 /nfs/dbraw/zinc/21/16/94/697211694.db2.gz SLYPGKLNRCFTIJ-QGZVFWFLSA-N 1 2 345.443 1.609 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3ccc(=O)[nH]n3)C2)ccc1F ZINC001031531395 697216298 /nfs/dbraw/zinc/21/62/98/697216298.db2.gz SXVZVDOMMLKGPN-UHFFFAOYSA-N 1 2 341.346 1.055 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)c1cnsn1 ZINC001031562644 697253795 /nfs/dbraw/zinc/25/37/95/697253795.db2.gz MKBDLANMZFPFAI-UHFFFAOYSA-N 1 2 330.388 1.391 20 30 EDEDLO CCO[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031567131 697258068 /nfs/dbraw/zinc/25/80/68/697258068.db2.gz XZQSWLIOMPYUIG-NVXWUHKLSA-N 1 2 331.391 1.670 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@H]1CCCCO1 ZINC001031610192 697318096 /nfs/dbraw/zinc/31/80/96/697318096.db2.gz AKXYNZGHEBWEJY-GOSISDBHSA-N 1 2 330.403 1.794 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)C3=CCOCC3)C2)c1 ZINC001031627424 697364720 /nfs/dbraw/zinc/36/47/20/697364720.db2.gz MJRQVIVXRCVSRR-UHFFFAOYSA-N 1 2 329.375 1.592 20 30 EDEDLO Cc1c[nH]nc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031659609 697427227 /nfs/dbraw/zinc/42/72/27/697427227.db2.gz KIHQFAZNXPMBOP-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920615721 697454076 /nfs/dbraw/zinc/45/40/76/697454076.db2.gz NPCFYVPCDUQXOX-CYBMUJFWSA-N 1 2 337.449 1.437 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000352912231 697463342 /nfs/dbraw/zinc/46/33/42/697463342.db2.gz MSANICKFZHFMJC-ZDUSSCGKSA-N 1 2 331.401 1.255 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccn[nH]2)cc1C#N ZINC001038069928 697668697 /nfs/dbraw/zinc/66/86/97/697668697.db2.gz AXHWIXVTWOBVBO-AWEZNQCLSA-N 1 2 325.372 1.294 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccn[nH]2)cc1C#N ZINC001038069928 697668700 /nfs/dbraw/zinc/66/87/00/697668700.db2.gz AXHWIXVTWOBVBO-AWEZNQCLSA-N 1 2 325.372 1.294 20 30 EDEDLO C[C@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032077539 698179779 /nfs/dbraw/zinc/17/97/79/698179779.db2.gz ZVLDGJYEMBGJBH-MLGOLLRUSA-N 1 2 331.391 1.670 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnc2n[nH]nc2c1 ZINC001031732916 698188932 /nfs/dbraw/zinc/18/89/32/698188932.db2.gz GDADEAYNVGGUAV-UHFFFAOYSA-N 1 2 346.394 1.066 20 30 EDEDLO C=CCn1cccc1C(=O)NCC1C[NH+](Cc2c(C)nnn2CC)C1 ZINC001031733199 698200931 /nfs/dbraw/zinc/20/09/31/698200931.db2.gz QBTHPMHJCGZECQ-UHFFFAOYSA-N 1 2 342.447 1.456 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2C)nn1 ZINC000943482913 698393398 /nfs/dbraw/zinc/39/33/98/698393398.db2.gz RPLGONOSCYSSIE-STQMWFEESA-N 1 2 346.460 1.561 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3nccs3)C[C@@H]2C)nn1 ZINC000943482913 698393404 /nfs/dbraw/zinc/39/34/04/698393404.db2.gz RPLGONOSCYSSIE-STQMWFEESA-N 1 2 346.460 1.561 20 30 EDEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccon3)C[C@@H]2C)nn1 ZINC000943498452 698443861 /nfs/dbraw/zinc/44/38/61/698443861.db2.gz PSLBNIJJQOZWMB-ZFWWWQNUSA-N 1 2 344.419 1.483 20 30 EDEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccon3)C[C@@H]2C)nn1 ZINC000943498452 698443864 /nfs/dbraw/zinc/44/38/64/698443864.db2.gz PSLBNIJJQOZWMB-ZFWWWQNUSA-N 1 2 344.419 1.483 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000939006497 699053354 /nfs/dbraw/zinc/05/33/54/699053354.db2.gz KLHULOLYGWKXHP-MGPQQGTHSA-N 1 2 330.432 1.785 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000939006497 699053358 /nfs/dbraw/zinc/05/33/58/699053358.db2.gz KLHULOLYGWKXHP-MGPQQGTHSA-N 1 2 330.432 1.785 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000939009766 699053765 /nfs/dbraw/zinc/05/37/65/699053765.db2.gz GGXCMSCQUNSYNL-LSDHHAIUSA-N 1 2 344.459 1.717 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3cccc(Cl)c3)CC2)C1 ZINC000941507070 701563146 /nfs/dbraw/zinc/56/31/46/701563146.db2.gz VORSIXISWPSEMF-UHFFFAOYSA-N 1 2 345.874 1.734 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3cc(F)ccc3F)CC2)C1 ZINC000941539353 701570064 /nfs/dbraw/zinc/57/00/64/701570064.db2.gz ZELIBVOULLJGQZ-UHFFFAOYSA-N 1 2 347.409 1.359 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@H]([NH2+]Cc3nnn(C(C)(C)C)n3)[C@@H](C)C2)C1 ZINC000939103515 699178023 /nfs/dbraw/zinc/17/80/23/699178023.db2.gz UDESKPHHSKBZJW-KBPBESRZSA-N 1 2 346.479 1.721 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3(C(F)F)CCCC3)CC2)C1 ZINC000941533416 701573324 /nfs/dbraw/zinc/57/33/24/701573324.db2.gz CBZKMPBUOICKNU-UHFFFAOYSA-N 1 2 339.430 1.664 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001031784367 699216236 /nfs/dbraw/zinc/21/62/36/699216236.db2.gz PSQKRCNWGMPSOI-MRXNPFEDSA-N 1 2 349.438 1.565 20 30 EDEDLO C[C@@H]1C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)CO1 ZINC001031790098 699254819 /nfs/dbraw/zinc/25/48/19/699254819.db2.gz RFCSGKAHKUGMFT-WBMJQRKESA-N 1 2 331.391 1.670 20 30 EDEDLO C[C@@H]1COCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031959904 701582986 /nfs/dbraw/zinc/58/29/86/701582986.db2.gz HESJISQQBIYCDM-CXAGYDPISA-N 1 2 345.418 1.918 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(CC)cc3)CC2)C1 ZINC000941588007 701591223 /nfs/dbraw/zinc/59/12/23/701591223.db2.gz ZOICKORCXDHEOE-UHFFFAOYSA-N 1 2 325.456 1.253 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4ccc(Cl)cc43)CC2)C1 ZINC000941654879 701606038 /nfs/dbraw/zinc/60/60/38/701606038.db2.gz NFLNWJPWIFNLFD-SFHVURJKSA-N 1 2 343.858 1.441 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(C)no3)C2)cn1 ZINC000939566326 699709109 /nfs/dbraw/zinc/70/91/09/699709109.db2.gz ADPIQPZTLLBDGA-XHDPSFHLSA-N 1 2 325.372 1.005 20 30 EDEDLO COc1nccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)n1 ZINC001031839542 699809672 /nfs/dbraw/zinc/80/96/72/699809672.db2.gz YJIGXJCUVBAANL-UHFFFAOYSA-N 1 2 336.395 1.199 20 30 EDEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000940857775 700956852 /nfs/dbraw/zinc/95/68/52/700956852.db2.gz CYBHAPLTUGAJGI-KRWDZBQOSA-N 1 2 337.427 1.687 20 30 EDEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000940857775 700956853 /nfs/dbraw/zinc/95/68/53/700956853.db2.gz CYBHAPLTUGAJGI-KRWDZBQOSA-N 1 2 337.427 1.687 20 30 EDEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000940857775 700956854 /nfs/dbraw/zinc/95/68/54/700956854.db2.gz CYBHAPLTUGAJGI-KRWDZBQOSA-N 1 2 337.427 1.687 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000940973873 701015880 /nfs/dbraw/zinc/01/58/80/701015880.db2.gz YIJNNLDGBOQBHT-SJORKVTESA-N 1 2 348.491 1.370 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000940973873 701015882 /nfs/dbraw/zinc/01/58/82/701015882.db2.gz YIJNNLDGBOQBHT-SJORKVTESA-N 1 2 348.491 1.370 20 30 EDEDLO O=C(C#CC1CC1)N1CCCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000941001082 701034578 /nfs/dbraw/zinc/03/45/78/701034578.db2.gz MHCNGUQSOYFHGS-UHFFFAOYSA-N 1 2 336.395 1.422 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000941089063 701132365 /nfs/dbraw/zinc/13/23/65/701132365.db2.gz TZEIVPJZJJOKMQ-OAHLLOKOSA-N 1 2 341.415 1.292 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000945936907 701319044 /nfs/dbraw/zinc/31/90/44/701319044.db2.gz REVNWTMJQXNGFB-HOTGVXAUSA-N 1 2 340.427 1.205 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)CCn2cc[nH+]c2)C1 ZINC000946002462 701354402 /nfs/dbraw/zinc/35/44/02/701354402.db2.gz RSQXOEMPFPEOBC-HZPDHXFCSA-N 1 2 344.459 1.935 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000941224985 701415181 /nfs/dbraw/zinc/41/51/81/701415181.db2.gz FXXZVFWLSDIIEX-HUUCEWRRSA-N 1 2 344.459 1.765 20 30 EDEDLO C#CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C(C)(C)C1 ZINC000941236927 701427482 /nfs/dbraw/zinc/42/74/82/701427482.db2.gz CTOXCTIHKIUNHA-HNNXBMFYSA-N 1 2 337.427 1.935 20 30 EDEDLO C#CC[N@H+]1CC[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C(C)(C)C1 ZINC000941236927 701427483 /nfs/dbraw/zinc/42/74/83/701427483.db2.gz CTOXCTIHKIUNHA-HNNXBMFYSA-N 1 2 337.427 1.935 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000941448096 701545954 /nfs/dbraw/zinc/54/59/54/701545954.db2.gz JVNRKFQFHCQYOF-OAHLLOKOSA-N 1 2 344.459 1.719 20 30 EDEDLO CCn1cnc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001032131838 701857906 /nfs/dbraw/zinc/85/79/06/701857906.db2.gz CEMAUKOFNBRZEA-UHFFFAOYSA-N 1 2 340.402 1.755 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cccnc3OC)C2)nc1 ZINC001032135348 701895797 /nfs/dbraw/zinc/89/57/97/701895797.db2.gz QOSAYYHMDXYPNT-UHFFFAOYSA-N 1 2 336.395 1.328 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](C)C1 ZINC000941851171 701958184 /nfs/dbraw/zinc/95/81/84/701958184.db2.gz RNRDPWVSPRLAEF-SKDRFNHKSA-N 1 2 327.226 1.759 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](C)C1 ZINC000941851171 701958186 /nfs/dbraw/zinc/95/81/86/701958186.db2.gz RNRDPWVSPRLAEF-SKDRFNHKSA-N 1 2 327.226 1.759 20 30 EDEDLO CC1(C)CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000995798492 702039683 /nfs/dbraw/zinc/03/96/83/702039683.db2.gz PDUOVQKQEJYLRM-NSHDSACASA-N 1 2 338.358 1.747 20 30 EDEDLO CCc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995790185 702084189 /nfs/dbraw/zinc/08/41/89/702084189.db2.gz HFVPQJWJCWCVAE-TZMCWYRMSA-N 1 2 330.432 1.933 20 30 EDEDLO Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)nc1 ZINC000941929573 702156925 /nfs/dbraw/zinc/15/69/25/702156925.db2.gz OIRRIVMFAHVKRU-DZGCQCFKSA-N 1 2 338.415 1.625 20 30 EDEDLO Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)nc1 ZINC000941929573 702156929 /nfs/dbraw/zinc/15/69/29/702156929.db2.gz OIRRIVMFAHVKRU-DZGCQCFKSA-N 1 2 338.415 1.625 20 30 EDEDLO Cc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1 ZINC000941930179 702158617 /nfs/dbraw/zinc/15/86/17/702158617.db2.gz RCCHLDNLEUHKBH-IUODEOHRSA-N 1 2 338.415 1.625 20 30 EDEDLO Cc1ccnc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1 ZINC000941930179 702158621 /nfs/dbraw/zinc/15/86/21/702158621.db2.gz RCCHLDNLEUHKBH-IUODEOHRSA-N 1 2 338.415 1.625 20 30 EDEDLO CCc1noc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)n1 ZINC000941963884 702252335 /nfs/dbraw/zinc/25/23/35/702252335.db2.gz NCGKTWZNJSLKLB-SMDDNHRTSA-N 1 2 342.403 1.472 20 30 EDEDLO CCc1noc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)n1 ZINC000941963884 702252338 /nfs/dbraw/zinc/25/23/38/702252338.db2.gz NCGKTWZNJSLKLB-SMDDNHRTSA-N 1 2 342.403 1.472 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000942450737 702958601 /nfs/dbraw/zinc/95/86/01/702958601.db2.gz XJCQXKFSHCJBCS-RBSFLKMASA-N 1 2 342.443 1.597 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(CC)o2)CC1 ZINC000996685845 702983142 /nfs/dbraw/zinc/98/31/42/702983142.db2.gz QQKSXIKJWQGXQY-KRWDZBQOSA-N 1 2 344.459 1.415 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)C[C@@H]2C)cc1 ZINC000942552158 703060728 /nfs/dbraw/zinc/06/07/28/703060728.db2.gz BTIWUGKFEATLRE-GUYCJALGSA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)C[C@@H]2C)cc1 ZINC000942552158 703060731 /nfs/dbraw/zinc/06/07/31/703060731.db2.gz BTIWUGKFEATLRE-GUYCJALGSA-N 1 2 338.411 2.000 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@H](C)C1 ZINC000942601082 703116664 /nfs/dbraw/zinc/11/66/64/703116664.db2.gz ZLDJAAHSJLFUMJ-LDYMZIIASA-N 1 2 345.216 1.898 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2F)[C@H](C)C1 ZINC000942601082 703116667 /nfs/dbraw/zinc/11/66/67/703116667.db2.gz ZLDJAAHSJLFUMJ-LDYMZIIASA-N 1 2 345.216 1.898 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nonc3C)C[C@H]2C)c1 ZINC000942613818 703128776 /nfs/dbraw/zinc/12/87/76/703128776.db2.gz AWBVFFNLLYUQKZ-WBMJQRKESA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nonc3C)C[C@H]2C)c1 ZINC000942613818 703128778 /nfs/dbraw/zinc/12/87/78/703128778.db2.gz AWBVFFNLLYUQKZ-WBMJQRKESA-N 1 2 339.399 1.395 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnc(C)cn2)C1 ZINC001032041317 703194017 /nfs/dbraw/zinc/19/40/17/703194017.db2.gz ISNCZNIFEAAMKD-ROUUACIJSA-N 1 2 344.459 1.704 20 30 EDEDLO Cn1ncc(C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC001032047774 703292688 /nfs/dbraw/zinc/29/26/88/703292688.db2.gz JHKIHCYKIULADU-UHFFFAOYSA-N 1 2 343.818 1.182 20 30 EDEDLO Cc1ccnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)n1 ZINC001032380514 703357222 /nfs/dbraw/zinc/35/72/22/703357222.db2.gz OFDMJFZVSUTTNB-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO Cc1ccnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)n1 ZINC001032380514 703357224 /nfs/dbraw/zinc/35/72/24/703357224.db2.gz OFDMJFZVSUTTNB-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO Cc1n[nH]c(C)c1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001032057973 703465488 /nfs/dbraw/zinc/46/54/88/703465488.db2.gz ZZIZBTHNOZUHQA-UHFFFAOYSA-N 1 2 341.390 1.899 20 30 EDEDLO C[C@@H](NC(=O)c1nc[nH]n1)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000997354265 703585698 /nfs/dbraw/zinc/58/56/98/703585698.db2.gz CJAROJGQOYJNHU-CYBMUJFWSA-N 1 2 338.415 1.707 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H](C)C2CC[NH+](Cc3cnon3)CC2)nc1 ZINC000997396286 703660345 /nfs/dbraw/zinc/66/03/45/703660345.db2.gz QREDROOYZKVJKB-CYBMUJFWSA-N 1 2 339.399 1.476 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001033073280 704112928 /nfs/dbraw/zinc/11/29/28/704112928.db2.gz WXJGCYAZIMEBSL-LLVKDONJSA-N 1 2 342.241 1.097 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001033073280 704112930 /nfs/dbraw/zinc/11/29/30/704112930.db2.gz WXJGCYAZIMEBSL-LLVKDONJSA-N 1 2 342.241 1.097 20 30 EDEDLO N#Cc1nccc(N2CCC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001061477999 704259569 /nfs/dbraw/zinc/25/95/69/704259569.db2.gz PLZDDCMMVMKXLH-ZDUSSCGKSA-N 1 2 347.382 1.623 20 30 EDEDLO N#Cc1ccccc1CN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032551466 704691852 /nfs/dbraw/zinc/69/18/52/704691852.db2.gz UBOFKJAXALSBFR-ROUUACIJSA-N 1 2 335.411 1.630 20 30 EDEDLO C=C1CC(C)(C(=O)N2CCC3(CN(C(=O)Cn4cc[nH+]c4)C3)CC2)C1 ZINC000945049823 705015578 /nfs/dbraw/zinc/01/55/78/705015578.db2.gz ZBJMZTRXLTUDDU-UHFFFAOYSA-N 1 2 342.443 1.690 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NCC#N)C1 ZINC000998308049 705720336 /nfs/dbraw/zinc/72/03/36/705720336.db2.gz XQBKBBKVTUGSTP-OLZOCXBDSA-N 1 2 343.353 1.245 20 30 EDEDLO Cc1noc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998850576 706278339 /nfs/dbraw/zinc/27/83/39/706278339.db2.gz SUGXLGMIGZAKHB-MFKMUULPSA-N 1 2 328.376 1.533 20 30 EDEDLO CN(C(=O)[C@]1(F)CCOC1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033368245 707698277 /nfs/dbraw/zinc/69/82/77/707698277.db2.gz IXOXWKZBHUNCQL-WMZOPIPTSA-N 1 2 331.391 1.720 20 30 EDEDLO CN(C(=O)[C@]1(F)CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033368245 707698280 /nfs/dbraw/zinc/69/82/80/707698280.db2.gz IXOXWKZBHUNCQL-WMZOPIPTSA-N 1 2 331.391 1.720 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001033440693 707869691 /nfs/dbraw/zinc/86/96/91/707869691.db2.gz STZGMUXSJGWUME-DGAVXFQQSA-N 1 2 343.265 1.995 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001033440693 707869693 /nfs/dbraw/zinc/86/96/93/707869693.db2.gz STZGMUXSJGWUME-DGAVXFQQSA-N 1 2 343.265 1.995 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccns3)C2)nn1 ZINC001033484182 707951424 /nfs/dbraw/zinc/95/14/24/707951424.db2.gz NXAMVYAVBGNHFZ-LBPRGKRZSA-N 1 2 332.433 1.267 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccns3)C2)nn1 ZINC001033484182 707951426 /nfs/dbraw/zinc/95/14/26/707951426.db2.gz NXAMVYAVBGNHFZ-LBPRGKRZSA-N 1 2 332.433 1.267 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC001032791239 708031081 /nfs/dbraw/zinc/03/10/81/708031081.db2.gz MPHVPIYZJIPECH-JQFCIGGWSA-N 1 2 328.460 1.524 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC001032791239 708031083 /nfs/dbraw/zinc/03/10/83/708031083.db2.gz MPHVPIYZJIPECH-JQFCIGGWSA-N 1 2 328.460 1.524 20 30 EDEDLO C[C@@H](CC(=O)N1CC[C@H](CNc2cnc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001061001497 708139035 /nfs/dbraw/zinc/13/90/35/708139035.db2.gz OLPNNJNSCXVBIE-UONOGXRCSA-N 1 2 339.403 1.456 20 30 EDEDLO N#Cc1ccc(F)cc1CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815191 708149396 /nfs/dbraw/zinc/14/93/96/708149396.db2.gz IOCXXBHVMAGFEY-IRXDYDNUSA-N 1 2 339.374 1.379 20 30 EDEDLO N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nn1 ZINC001061021989 708250321 /nfs/dbraw/zinc/25/03/21/708250321.db2.gz RHIDFYRXPMLNCQ-MRVWCRGKSA-N 1 2 337.387 1.135 20 30 EDEDLO N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nn1 ZINC001061021989 708250322 /nfs/dbraw/zinc/25/03/22/708250322.db2.gz RHIDFYRXPMLNCQ-MRVWCRGKSA-N 1 2 337.387 1.135 20 30 EDEDLO Cc1nc(C[NH+]2CCC(N(C)C(=O)c3ccc(C#N)[nH]3)CC2)co1 ZINC001005263782 708465110 /nfs/dbraw/zinc/46/51/10/708465110.db2.gz WOWOIEJGMNLCPA-UHFFFAOYSA-N 1 2 327.388 1.919 20 30 EDEDLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCN(Cc2cc(F)ccc2C#N)C1 ZINC001033705517 708535718 /nfs/dbraw/zinc/53/57/18/708535718.db2.gz HPIVVVKPLMGXRG-QGZVFWFLSA-N 1 2 341.390 1.627 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001033784618 708692872 /nfs/dbraw/zinc/69/28/72/708692872.db2.gz CGLUDONRBUEHPR-HIFRSBDPSA-N 1 2 338.415 1.974 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001033784618 708692874 /nfs/dbraw/zinc/69/28/74/708692874.db2.gz CGLUDONRBUEHPR-HIFRSBDPSA-N 1 2 338.415 1.974 20 30 EDEDLO C=CCCC(=O)N1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001061057509 708723771 /nfs/dbraw/zinc/72/37/71/708723771.db2.gz TYHRFJJSRQJVOD-UHFFFAOYSA-N 1 2 330.432 1.380 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2OCC)CC1 ZINC001002394677 708903336 /nfs/dbraw/zinc/90/33/36/708903336.db2.gz CMHJSRSZQHIKMI-CHWSQXEVSA-N 1 2 331.254 1.901 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)Cn2cc(C)cn2)CC1 ZINC001002407023 708928543 /nfs/dbraw/zinc/92/85/43/708928543.db2.gz ITEPHJXBQAWJOT-UHFFFAOYSA-N 1 2 341.253 1.681 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001033893950 709009559 /nfs/dbraw/zinc/00/95/59/709009559.db2.gz TXGGANYSPCQWAM-HZPDHXFCSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001033893950 709009563 /nfs/dbraw/zinc/00/95/63/709009563.db2.gz TXGGANYSPCQWAM-HZPDHXFCSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn(CCOC)n2)C1 ZINC001033895192 709012275 /nfs/dbraw/zinc/01/22/75/709012275.db2.gz NWDFSWZIFOESCW-CQSZACIVSA-N 1 2 340.855 1.818 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn(CCOC)n2)C1 ZINC001033895192 709012278 /nfs/dbraw/zinc/01/22/78/709012278.db2.gz NWDFSWZIFOESCW-CQSZACIVSA-N 1 2 340.855 1.818 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H](Nc2ncccc2C#N)C1 ZINC001061094477 709029284 /nfs/dbraw/zinc/02/92/84/709029284.db2.gz FZSFNFPLYWCMPT-CABCVRRESA-N 1 2 338.415 1.769 20 30 EDEDLO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@H+](Cc3cnnn3C)C2)cc1 ZINC001033921530 709074636 /nfs/dbraw/zinc/07/46/36/709074636.db2.gz BOEBZMBFSYHRSV-KRWDZBQOSA-N 1 2 337.427 1.533 20 30 EDEDLO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3cnnn3C)C2)cc1 ZINC001033921530 709074637 /nfs/dbraw/zinc/07/46/37/709074637.db2.gz BOEBZMBFSYHRSV-KRWDZBQOSA-N 1 2 337.427 1.533 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001002761430 709370232 /nfs/dbraw/zinc/37/02/32/709370232.db2.gz GALVLUIACCTKLT-KXBFYZLASA-N 1 2 344.459 1.622 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001002782940 709388749 /nfs/dbraw/zinc/38/87/49/709388749.db2.gz TXDMHULZOLIBNL-BEFAXECRSA-N 1 2 344.459 1.622 20 30 EDEDLO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cc2[nH]cc[nH+]2)C3)C1 ZINC001005517688 709438141 /nfs/dbraw/zinc/43/81/41/709438141.db2.gz OYNKQMPCDDQHEY-MCIONIFRSA-N 1 2 328.416 1.557 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001034169045 709480039 /nfs/dbraw/zinc/48/00/39/709480039.db2.gz LTTGMVOSVKWPNO-GFCCVEGCSA-N 1 2 341.253 1.913 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001034169045 709480040 /nfs/dbraw/zinc/48/00/40/709480040.db2.gz LTTGMVOSVKWPNO-GFCCVEGCSA-N 1 2 341.253 1.913 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC001034302319 709739413 /nfs/dbraw/zinc/73/94/13/709739413.db2.gz XEQMXPSKUSFDJN-NSHDSACASA-N 1 2 325.796 1.715 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC001034302319 709739417 /nfs/dbraw/zinc/73/94/17/709739417.db2.gz XEQMXPSKUSFDJN-NSHDSACASA-N 1 2 325.796 1.715 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001034310584 709754640 /nfs/dbraw/zinc/75/46/40/709754640.db2.gz VGWAGRDNDYAULN-CYBMUJFWSA-N 1 2 334.811 1.461 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001034310584 709754642 /nfs/dbraw/zinc/75/46/42/709754642.db2.gz VGWAGRDNDYAULN-CYBMUJFWSA-N 1 2 334.811 1.461 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001034310585 709754737 /nfs/dbraw/zinc/75/47/37/709754737.db2.gz VGWAGRDNDYAULN-ZDUSSCGKSA-N 1 2 334.811 1.461 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3nnnn3c2)C1 ZINC001034310585 709754739 /nfs/dbraw/zinc/75/47/39/709754739.db2.gz VGWAGRDNDYAULN-ZDUSSCGKSA-N 1 2 334.811 1.461 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](N(C)c2ncccc2C#N)C1 ZINC001061221213 709789117 /nfs/dbraw/zinc/78/91/17/709789117.db2.gz WGONSEGYSOZINE-HNNXBMFYSA-N 1 2 338.415 1.655 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001034357654 709821653 /nfs/dbraw/zinc/82/16/53/709821653.db2.gz GPSFBVWBSULHSS-MQYQWHSLSA-N 1 2 343.265 1.758 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001034357654 709821657 /nfs/dbraw/zinc/82/16/57/709821657.db2.gz GPSFBVWBSULHSS-MQYQWHSLSA-N 1 2 343.265 1.758 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001003030384 709837619 /nfs/dbraw/zinc/83/76/19/709837619.db2.gz PMUHWSYYJCSJCY-UHFFFAOYSA-N 1 2 329.404 1.760 20 30 EDEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1COCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001061750517 709959785 /nfs/dbraw/zinc/95/97/85/709959785.db2.gz XTGONHCUXYITCM-AWEZNQCLSA-N 1 2 348.447 1.207 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3nccs3)CC2)nc1 ZINC001004002586 711240746 /nfs/dbraw/zinc/24/07/46/711240746.db2.gz FACPZLURIWDKRZ-UHFFFAOYSA-N 1 2 326.425 1.914 20 30 EDEDLO Cc1csc(C[N@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001033017224 711261062 /nfs/dbraw/zinc/26/10/62/711261062.db2.gz GKKRFSQONWVCSY-CYBMUJFWSA-N 1 2 329.429 1.998 20 30 EDEDLO Cc1csc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001033017224 711261066 /nfs/dbraw/zinc/26/10/66/711261066.db2.gz GKKRFSQONWVCSY-CYBMUJFWSA-N 1 2 329.429 1.998 20 30 EDEDLO CCn1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001033016713 711277427 /nfs/dbraw/zinc/27/74/27/711277427.db2.gz CMDAEDZICGEEPQ-HNNXBMFYSA-N 1 2 326.404 1.449 20 30 EDEDLO CCn1ccc(C[N@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001033016713 711277430 /nfs/dbraw/zinc/27/74/30/711277430.db2.gz CMDAEDZICGEEPQ-HNNXBMFYSA-N 1 2 326.404 1.449 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001034941666 711446613 /nfs/dbraw/zinc/44/66/13/711446613.db2.gz NAZQPLKQASABQA-KFWWJZLASA-N 1 2 336.461 1.600 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ncnc3[nH]ccc32)CC1 ZINC001004476552 711856506 /nfs/dbraw/zinc/85/65/06/711856506.db2.gz LRHARRNWEOHJDI-OAHLLOKOSA-N 1 2 338.415 1.750 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ncnc3[nH]ccc32)CC1 ZINC001004476552 711856507 /nfs/dbraw/zinc/85/65/07/711856507.db2.gz LRHARRNWEOHJDI-OAHLLOKOSA-N 1 2 338.415 1.750 20 30 EDEDLO Cn1cc(OCC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004526336 711929807 /nfs/dbraw/zinc/92/98/07/711929807.db2.gz ZVRKRTHRMGPVOW-MRXNPFEDSA-N 1 2 331.420 1.025 20 30 EDEDLO Cn1cc(OCC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004526336 711929809 /nfs/dbraw/zinc/92/98/09/711929809.db2.gz ZVRKRTHRMGPVOW-MRXNPFEDSA-N 1 2 331.420 1.025 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(CF)CCOCC2)CC1 ZINC001004548154 711958647 /nfs/dbraw/zinc/95/86/47/711958647.db2.gz QGKIQIFCQMKWRB-INIZCTEOSA-N 1 2 337.439 1.979 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(CF)CCOCC2)CC1 ZINC001004548154 711958649 /nfs/dbraw/zinc/95/86/49/711958649.db2.gz QGKIQIFCQMKWRB-INIZCTEOSA-N 1 2 337.439 1.979 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 ZINC001004623548 712070377 /nfs/dbraw/zinc/07/03/77/712070377.db2.gz JBLNXSWMSIMXKJ-INIZCTEOSA-N 1 2 341.415 1.021 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)cn2)CC1 ZINC001004623548 712070378 /nfs/dbraw/zinc/07/03/78/712070378.db2.gz JBLNXSWMSIMXKJ-INIZCTEOSA-N 1 2 341.415 1.021 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001033151913 712138549 /nfs/dbraw/zinc/13/85/49/712138549.db2.gz NNZIIFLKOVMVAM-XJKSGUPXSA-N 1 2 347.846 1.799 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)c3ccccc32)C1 ZINC001033151913 712138552 /nfs/dbraw/zinc/13/85/52/712138552.db2.gz NNZIIFLKOVMVAM-XJKSGUPXSA-N 1 2 347.846 1.799 20 30 EDEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1CCNC(=O)CC1)C1CCOCC1 ZINC000329349492 539430773 /nfs/dbraw/zinc/43/07/73/539430773.db2.gz SROVJPNJFHVBDF-HNNXBMFYSA-N 1 2 349.435 1.947 20 30 EDEDLO Cc1cc2c(cc1NC(=O)N1CC[C@H]([NH+]3CCOCC3)C1)OCO2 ZINC000329713700 539459215 /nfs/dbraw/zinc/45/92/15/539459215.db2.gz RWPWBQHERBXSLW-ZDUSSCGKSA-N 1 2 333.388 1.676 20 30 EDEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000331336492 283059233 /nfs/dbraw/zinc/05/92/33/283059233.db2.gz QMMNKFCZBDXSAR-KGLIPLIRSA-N 1 2 327.837 1.918 20 30 EDEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000331336492 283059236 /nfs/dbraw/zinc/05/92/36/283059236.db2.gz QMMNKFCZBDXSAR-KGLIPLIRSA-N 1 2 327.837 1.918 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1[nH+]ccn1C ZINC000052954370 138139857 /nfs/dbraw/zinc/13/98/57/138139857.db2.gz WFQYRHTUGXDGCG-UHFFFAOYSA-N 1 2 327.388 1.188 20 30 EDEDLO N#CC1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCOCC1 ZINC000109141303 237107445 /nfs/dbraw/zinc/10/74/45/237107445.db2.gz JSEJNEZPLXGPDU-UHFFFAOYSA-N 1 2 328.347 1.948 20 30 EDEDLO Cc1cnc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000174131711 237275422 /nfs/dbraw/zinc/27/54/22/237275422.db2.gz CNGKIDNJIVTHLY-UHFFFAOYSA-N 1 2 330.388 1.652 20 30 EDEDLO Cc1ccccc1Cc1noc(CO[NH+]=C(N)CN2CCOCC2)n1 ZINC000175904820 237322853 /nfs/dbraw/zinc/32/28/53/237322853.db2.gz UUIPWQANHJOEON-UHFFFAOYSA-N 1 2 345.403 1.090 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1COc2ccccc21 ZINC000264916190 249338585 /nfs/dbraw/zinc/33/85/85/249338585.db2.gz SMOKQIIBDWDIOA-MRXNPFEDSA-N 1 2 329.400 1.237 20 30 EDEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000284078071 249589675 /nfs/dbraw/zinc/58/96/75/249589675.db2.gz KHTLSXPPLNWAHH-RISCZKNCSA-N 1 2 349.387 1.643 20 30 EDEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1(C)C ZINC000329302030 249834181 /nfs/dbraw/zinc/83/41/81/249834181.db2.gz WEEVPAOTWFXEON-VNQPRFMTSA-N 1 2 349.479 1.511 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000341857581 250000475 /nfs/dbraw/zinc/00/04/75/250000475.db2.gz BOGYKGPZRKMOTM-KRWDZBQOSA-N 1 2 328.416 1.915 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000341852312 250001484 /nfs/dbraw/zinc/00/14/84/250001484.db2.gz XXZFCOQWUJQRIP-KBPBESRZSA-N 1 2 334.464 1.979 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCOCC)CC1 ZINC000352236748 250075545 /nfs/dbraw/zinc/07/55/45/250075545.db2.gz FQARFQAQUIHJGY-OAHLLOKOSA-N 1 2 325.453 1.028 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000352303895 250079211 /nfs/dbraw/zinc/07/92/11/250079211.db2.gz FOFPLFCBTSVNCG-SJLPKXTDSA-N 1 2 329.400 1.961 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3cccc(C)c32)CC1 ZINC000362139657 250179326 /nfs/dbraw/zinc/17/93/26/250179326.db2.gz QBGBLIUJKJBQGU-UHFFFAOYSA-N 1 2 325.416 1.362 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000372591669 250223131 /nfs/dbraw/zinc/22/31/31/250223131.db2.gz HWPODDDCZWLPBL-ROUUACIJSA-N 1 2 340.464 1.213 20 30 EDEDLO CC1(C)CCCN(C(=O)c2cnn(CC[NH+]3CCOCC3)c2)[C@@H]1C#N ZINC000373085071 250231944 /nfs/dbraw/zinc/23/19/44/250231944.db2.gz XQRHHJTWADEAEF-MRXNPFEDSA-N 1 2 345.447 1.370 20 30 EDEDLO C#CCCOc1ccc(C[NH+]2CC(n3cc([C@@H](C)O)nn3)C2)cc1 ZINC000374829652 250273755 /nfs/dbraw/zinc/27/37/55/250273755.db2.gz UWXOBNQLZNBUFM-CQSZACIVSA-N 1 2 326.400 1.790 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C1=O ZINC000374275262 250257453 /nfs/dbraw/zinc/25/74/53/250257453.db2.gz WIOVZQLMBOPRPJ-CVEARBPZSA-N 1 2 342.443 1.543 20 30 EDEDLO CO[C@H](C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000263736885 139356686 /nfs/dbraw/zinc/35/66/86/139356686.db2.gz IUYMVKLEUTWMDU-OAHLLOKOSA-N 1 2 330.432 1.810 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)[nH]1 ZINC000471821287 255015966 /nfs/dbraw/zinc/01/59/66/255015966.db2.gz QGSWVKJDODZNFR-UHFFFAOYSA-N 1 2 342.403 1.037 20 30 EDEDLO COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000490095571 255078779 /nfs/dbraw/zinc/07/87/79/255078779.db2.gz LYWITOPULITVQG-OAHLLOKOSA-N 1 2 338.429 1.069 20 30 EDEDLO COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000490095571 255078780 /nfs/dbraw/zinc/07/87/80/255078780.db2.gz LYWITOPULITVQG-OAHLLOKOSA-N 1 2 338.429 1.069 20 30 EDEDLO C#CCNC(=O)c1ccc(N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000490740016 255104394 /nfs/dbraw/zinc/10/43/94/255104394.db2.gz IAIAKEYQEUKSFW-HNNXBMFYSA-N 1 2 338.415 1.051 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000491644722 255136859 /nfs/dbraw/zinc/13/68/59/255136859.db2.gz LEHSINKBQDMUPE-UHFFFAOYSA-N 1 2 330.413 1.760 20 30 EDEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000491677171 255139775 /nfs/dbraw/zinc/13/97/75/255139775.db2.gz PZJVTALSUBQZGW-INIZCTEOSA-N 1 2 343.427 1.697 20 30 EDEDLO C[C@H](CN(CCC#N)CC[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC000492262530 255166156 /nfs/dbraw/zinc/16/61/56/255166156.db2.gz YXEUDMKSDATCMZ-OAHLLOKOSA-N 1 2 340.468 1.447 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(CC)C(=O)[C@H]1C ZINC000495206682 255273096 /nfs/dbraw/zinc/27/30/96/255273096.db2.gz WYNFMCMAURPTAR-NVXWUHKLSA-N 1 2 332.444 1.707 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(CC)C(=O)[C@H]1C ZINC000495206682 255273097 /nfs/dbraw/zinc/27/30/97/255273097.db2.gz WYNFMCMAURPTAR-NVXWUHKLSA-N 1 2 332.444 1.707 20 30 EDEDLO COCCO[C@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000189726645 533199707 /nfs/dbraw/zinc/19/97/07/533199707.db2.gz RPIPQTHQSIXCGD-ZDUSSCGKSA-N 1 2 337.445 1.912 20 30 EDEDLO COCCO[C@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000189726645 533199712 /nfs/dbraw/zinc/19/97/12/533199712.db2.gz RPIPQTHQSIXCGD-ZDUSSCGKSA-N 1 2 337.445 1.912 20 30 EDEDLO Cc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1N1CCOC1=O ZINC000496380622 255389644 /nfs/dbraw/zinc/38/96/44/255389644.db2.gz RANJVEOOVJOKFN-OAHLLOKOSA-N 1 2 332.404 1.570 20 30 EDEDLO Cc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1N1CCOC1=O ZINC000496380622 255389645 /nfs/dbraw/zinc/38/96/45/255389645.db2.gz RANJVEOOVJOKFN-OAHLLOKOSA-N 1 2 332.404 1.570 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ccccn2)CC1 ZINC000016483905 135710333 /nfs/dbraw/zinc/71/03/33/135710333.db2.gz XHTJFAKHXQMVOG-MRXNPFEDSA-N 1 2 341.459 1.935 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000333304179 141295828 /nfs/dbraw/zinc/29/58/28/141295828.db2.gz UCYSZVLSMNFAFC-GFCCVEGCSA-N 1 2 325.459 1.915 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)s1 ZINC000333304179 141295829 /nfs/dbraw/zinc/29/58/29/141295829.db2.gz UCYSZVLSMNFAFC-GFCCVEGCSA-N 1 2 325.459 1.915 20 30 EDEDLO Cc1nn(C)c(N)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000339818653 142167375 /nfs/dbraw/zinc/16/73/75/142167375.db2.gz YDBVOHDAPPMJOH-UHFFFAOYSA-N 1 2 338.415 1.140 20 30 EDEDLO N#Cc1ccsc1NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000340117542 142271244 /nfs/dbraw/zinc/27/12/44/142271244.db2.gz NQKXOMGFOYXTPV-UHFFFAOYSA-N 1 2 325.353 1.522 20 30 EDEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCn1cnc(C#N)n1 ZINC000347621140 143342145 /nfs/dbraw/zinc/34/21/45/143342145.db2.gz GQJARZQEEWEKQG-UHFFFAOYSA-N 1 2 344.423 1.030 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)cn1C ZINC000347659018 143346383 /nfs/dbraw/zinc/34/63/83/143346383.db2.gz XPFYFGKTMJWARI-UHFFFAOYSA-N 1 2 339.399 1.401 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)C(=O)Nc1cccc(C)c1C#N)C2 ZINC000369802113 155182913 /nfs/dbraw/zinc/18/29/13/155182913.db2.gz RXGRCWBSCPJILU-UHFFFAOYSA-N 1 2 337.383 1.661 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC000353135604 149299705 /nfs/dbraw/zinc/29/97/05/149299705.db2.gz JOAPDTAMFPMPJZ-BBWFWOEESA-N 1 2 342.395 1.903 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC000353135604 149299707 /nfs/dbraw/zinc/29/97/07/149299707.db2.gz JOAPDTAMFPMPJZ-BBWFWOEESA-N 1 2 342.395 1.903 20 30 EDEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cc[nH+]cc3O)C2)n1 ZINC000358364182 151350744 /nfs/dbraw/zinc/35/07/44/151350744.db2.gz YSLNYKWCJKOSOU-AWEZNQCLSA-N 1 2 337.383 1.639 20 30 EDEDLO N#Cc1ccc(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)cn1 ZINC000360397798 152021770 /nfs/dbraw/zinc/02/17/70/152021770.db2.gz YGBMCHKOFMMVJT-UHFFFAOYSA-N 1 2 348.366 1.918 20 30 EDEDLO Cc1c(Cl)cnc(N2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1C#N ZINC000363652058 153023112 /nfs/dbraw/zinc/02/31/12/153023112.db2.gz OGGWQAHMEULTSW-UHFFFAOYSA-N 1 2 347.850 1.835 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CC(O)(c3ccc(F)cc3)C2)cc1 ZINC000364340092 153210332 /nfs/dbraw/zinc/21/03/32/153210332.db2.gz RGUAXUAMLZMWRD-QGZVFWFLSA-N 1 2 342.370 1.640 20 30 EDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000364570348 153274999 /nfs/dbraw/zinc/27/49/99/153274999.db2.gz PATDYTCKQASATA-CQSZACIVSA-N 1 2 328.351 1.225 20 30 EDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000364570348 153275001 /nfs/dbraw/zinc/27/50/01/153275001.db2.gz PATDYTCKQASATA-CQSZACIVSA-N 1 2 328.351 1.225 20 30 EDEDLO COc1cc(C[N@@H+]2CCCN(CC(=O)N(C)C)CC2)ccc1C#N ZINC000374229565 157203619 /nfs/dbraw/zinc/20/36/19/157203619.db2.gz KYVPLRIZSJKYML-UHFFFAOYSA-N 1 2 330.432 1.163 20 30 EDEDLO COc1cc(C[N@H+]2CCCN(CC(=O)N(C)C)CC2)ccc1C#N ZINC000374229565 157203622 /nfs/dbraw/zinc/20/36/22/157203622.db2.gz KYVPLRIZSJKYML-UHFFFAOYSA-N 1 2 330.432 1.163 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374384181 157269661 /nfs/dbraw/zinc/26/96/61/157269661.db2.gz HOKGTAPZKKVXCJ-KBXCAEBGSA-N 1 2 336.395 1.894 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000378320135 158139589 /nfs/dbraw/zinc/13/95/89/158139589.db2.gz ZDPDNFYKGVOFDE-DLBZAZTESA-N 1 2 349.456 1.231 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000378320135 158139591 /nfs/dbraw/zinc/13/95/91/158139591.db2.gz ZDPDNFYKGVOFDE-DLBZAZTESA-N 1 2 349.456 1.231 20 30 EDEDLO Cc1cc(C[NH+]2CCN(Cc3cnc4ccc(C#N)cn34)CC2)on1 ZINC000122358838 222070254 /nfs/dbraw/zinc/07/02/54/222070254.db2.gz BJHRVWIBTOYPEX-UHFFFAOYSA-N 1 2 336.399 1.820 20 30 EDEDLO N#Cc1cccc(C2(C(=O)N3CCN(Cc4[nH]cc[nH+]4)CC3)CC2)c1 ZINC000435019622 269970916 /nfs/dbraw/zinc/97/09/16/269970916.db2.gz FBAPGEVZWLCVGI-UHFFFAOYSA-N 1 2 335.411 1.657 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3[C@@H]4COC[C@@H]43)CC2)cc1 ZINC000330030963 270011633 /nfs/dbraw/zinc/01/16/33/270011633.db2.gz SJDKBTGHBBIDAZ-FVQHAEBGSA-N 1 2 326.400 1.235 20 30 EDEDLO Cn1ccnc1[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000534308983 270016258 /nfs/dbraw/zinc/01/62/58/270016258.db2.gz CSWSBTSNSQEXES-OAHLLOKOSA-N 1 2 344.440 1.555 20 30 EDEDLO Cn1ccnc1[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000534308983 270016259 /nfs/dbraw/zinc/01/62/59/270016259.db2.gz CSWSBTSNSQEXES-OAHLLOKOSA-N 1 2 344.440 1.555 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000299621172 266360328 /nfs/dbraw/zinc/36/03/28/266360328.db2.gz JODUQUPHDSVVNS-GFCCVEGCSA-N 1 2 335.839 1.643 20 30 EDEDLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292145920 267007479 /nfs/dbraw/zinc/00/74/79/267007479.db2.gz JWKQCZFHNPPVQG-FZMZJTMJSA-N 1 2 325.376 1.489 20 30 EDEDLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292145920 267007482 /nfs/dbraw/zinc/00/74/82/267007482.db2.gz JWKQCZFHNPPVQG-FZMZJTMJSA-N 1 2 325.376 1.489 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425221058 267118014 /nfs/dbraw/zinc/11/80/14/267118014.db2.gz JQDKYZXOFPAMBY-UHFFFAOYSA-N 1 2 328.416 1.517 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425221058 267118016 /nfs/dbraw/zinc/11/80/16/267118016.db2.gz JQDKYZXOFPAMBY-UHFFFAOYSA-N 1 2 328.416 1.517 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c(C#N)n3)CC2)S1 ZINC000302749251 267242351 /nfs/dbraw/zinc/24/23/51/267242351.db2.gz UQBDRMUEPYFJPU-JTQLQIEISA-N 1 2 332.389 1.475 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)CNc2cccc(C#N)c2)no1 ZINC000426422549 267284363 /nfs/dbraw/zinc/28/43/63/267284363.db2.gz XCCYEFSQQMBVPR-UHFFFAOYSA-N 1 2 342.403 1.466 20 30 EDEDLO CNS(=O)(=O)c1ccc([C@H](C)Nc2cc(C)[nH+]cc2C#N)cc1 ZINC000425215802 267351807 /nfs/dbraw/zinc/35/18/07/267351807.db2.gz OOLRXJGAEGTOLJ-LBPRGKRZSA-N 1 2 330.413 1.765 20 30 EDEDLO COC(=O)[C@H]1CSCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000412091633 267391013 /nfs/dbraw/zinc/39/10/13/267391013.db2.gz YUHRAMSHSIMPIP-TZMCWYRMSA-N 1 2 347.440 1.723 20 30 EDEDLO COC(=O)[C@H]1CSCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000412091633 267391015 /nfs/dbraw/zinc/39/10/15/267391015.db2.gz YUHRAMSHSIMPIP-TZMCWYRMSA-N 1 2 347.440 1.723 20 30 EDEDLO C[C@H]1C[N@H+](CCO)CCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000457136980 267886590 /nfs/dbraw/zinc/88/65/90/267886590.db2.gz VGRAUYZGGPWOTB-AWEZNQCLSA-N 1 2 333.457 1.316 20 30 EDEDLO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000457136980 267886592 /nfs/dbraw/zinc/88/65/92/267886592.db2.gz VGRAUYZGGPWOTB-AWEZNQCLSA-N 1 2 333.457 1.316 20 30 EDEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000301335547 268049909 /nfs/dbraw/zinc/04/99/09/268049909.db2.gz CVEIESHLRVOVLQ-LBPRGKRZSA-N 1 2 326.322 1.883 20 30 EDEDLO Cc1sc(NC(=O)C[NH2+][C@H](CO)c2cnn(C)c2)c(C#N)c1C ZINC000274138940 268108804 /nfs/dbraw/zinc/10/88/04/268108804.db2.gz XBYNDBKHGDGHJW-CYBMUJFWSA-N 1 2 333.417 1.232 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NCc3cccs3)C2)nc1 ZINC000292187909 268184669 /nfs/dbraw/zinc/18/46/69/268184669.db2.gz MWYBEVOIQATKSA-AWEZNQCLSA-N 1 2 342.424 1.784 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NCc3cccs3)C2)nc1 ZINC000292187909 268184671 /nfs/dbraw/zinc/18/46/71/268184671.db2.gz MWYBEVOIQATKSA-AWEZNQCLSA-N 1 2 342.424 1.784 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NCc3ccco3)C2)nc1 ZINC000292147662 268185014 /nfs/dbraw/zinc/18/50/14/268185014.db2.gz JYMAIXWIUSZCAG-HNNXBMFYSA-N 1 2 326.356 1.316 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NCc3ccco3)C2)nc1 ZINC000292147662 268185016 /nfs/dbraw/zinc/18/50/16/268185016.db2.gz JYMAIXWIUSZCAG-HNNXBMFYSA-N 1 2 326.356 1.316 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000275002362 268261422 /nfs/dbraw/zinc/26/14/22/268261422.db2.gz PSERWPCXKODZCW-KMFMINBZSA-N 1 2 332.400 1.571 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000275002362 268261425 /nfs/dbraw/zinc/26/14/25/268261425.db2.gz PSERWPCXKODZCW-KMFMINBZSA-N 1 2 332.400 1.571 20 30 EDEDLO N#Cc1cnc2ccccc2c1N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000515568801 268315613 /nfs/dbraw/zinc/31/56/13/268315613.db2.gz SYQGSAVSEZNGDJ-UHFFFAOYSA-N 1 2 346.394 1.652 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000428374754 268324835 /nfs/dbraw/zinc/32/48/35/268324835.db2.gz PEYIODWQNBEUDP-ZDUSSCGKSA-N 1 2 330.369 1.190 20 30 EDEDLO CCN1CC[NH+]([C@H]2CCN(c3nc4c(cc3C#N)CCC4)C2)CC1 ZINC000264395928 276202118 /nfs/dbraw/zinc/20/21/18/276202118.db2.gz LICRLRRBLMMKQF-KRWDZBQOSA-N 1 2 325.460 1.658 20 30 EDEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000326390832 288293857 /nfs/dbraw/zinc/29/38/57/288293857.db2.gz JLYKGECINHVXCP-NVXWUHKLSA-N 1 2 347.484 1.891 20 30 EDEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000326390832 288293859 /nfs/dbraw/zinc/29/38/59/288293859.db2.gz JLYKGECINHVXCP-NVXWUHKLSA-N 1 2 347.484 1.891 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000342275666 288717223 /nfs/dbraw/zinc/71/72/23/288717223.db2.gz YYKDDDXJSCTDTR-YPMHNXCESA-N 1 2 334.807 1.542 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC4(C3)OCCO4)C2=O)cc1 ZINC000182870377 303193702 /nfs/dbraw/zinc/19/37/02/303193702.db2.gz XZERKRITGUZHHL-INIZCTEOSA-N 1 2 327.384 1.502 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC4(C3)OCCO4)C2=O)cc1 ZINC000182870377 303193703 /nfs/dbraw/zinc/19/37/03/303193703.db2.gz XZERKRITGUZHHL-INIZCTEOSA-N 1 2 327.384 1.502 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000546001613 306089480 /nfs/dbraw/zinc/08/94/80/306089480.db2.gz DOJSMKVOCDOSFG-UHFFFAOYSA-N 1 2 349.350 1.469 20 30 EDEDLO C[C@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000550978940 306155195 /nfs/dbraw/zinc/15/51/95/306155195.db2.gz RCJQSTICTITFSQ-AWEZNQCLSA-N 1 2 339.399 1.529 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(C#N)cs1)C2 ZINC000552147530 306176104 /nfs/dbraw/zinc/17/61/04/306176104.db2.gz KSAZSXLULDSMIK-LBPRGKRZSA-N 1 2 330.413 1.404 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\COCC(F)(F)F ZINC000493722783 447377333 /nfs/dbraw/zinc/37/73/33/447377333.db2.gz LJVXJNWFKZWJEJ-IWQZZHSRSA-N 1 2 349.353 1.196 20 30 EDEDLO Cn1cc(I)c(C[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000449602375 447378718 /nfs/dbraw/zinc/37/87/18/447378718.db2.gz CUWCOGXONNEZAN-IUCAKERBSA-N 1 2 330.173 1.807 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)CCC(C)(C)C#N ZINC000377858157 447380115 /nfs/dbraw/zinc/38/01/15/447380115.db2.gz WHNUFAKEJKDHAX-ZIAGYGMSSA-N 1 2 329.466 1.051 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)NCC(C)(C)CC#N)nc[nH+]1 ZINC000458492414 447387196 /nfs/dbraw/zinc/38/71/96/447387196.db2.gz VZWCONXQPKTXFM-ZDUSSCGKSA-N 1 2 345.451 1.726 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)NCC(C)(C)CC#N)[nH+]cn1 ZINC000458492414 447387200 /nfs/dbraw/zinc/38/72/00/447387200.db2.gz VZWCONXQPKTXFM-ZDUSSCGKSA-N 1 2 345.451 1.726 20 30 EDEDLO CN(C)C(=O)CN1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000377985107 447394497 /nfs/dbraw/zinc/39/44/97/447394497.db2.gz FMJHBCGERLZFEP-UHFFFAOYSA-N 1 2 333.863 1.787 20 30 EDEDLO CN(C)C(=O)CN1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000377985107 447394501 /nfs/dbraw/zinc/39/45/01/447394501.db2.gz FMJHBCGERLZFEP-UHFFFAOYSA-N 1 2 333.863 1.787 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nnn(-c3ccc(C)c(C)c3)c2=S)CC1 ZINC000044756616 440885013 /nfs/dbraw/zinc/88/50/13/440885013.db2.gz VUFPLPHLAAZLJE-UHFFFAOYSA-N 1 2 342.472 1.623 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC000071092244 441138591 /nfs/dbraw/zinc/13/85/91/441138591.db2.gz PUJANABOBQRHCT-UHFFFAOYSA-N 1 2 325.353 1.940 20 30 EDEDLO COCc1cccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000080167958 441146776 /nfs/dbraw/zinc/14/67/76/441146776.db2.gz UYJCIYFLJHIGOQ-UHFFFAOYSA-N 1 2 346.431 1.913 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000081085371 441230229 /nfs/dbraw/zinc/23/02/29/441230229.db2.gz KSTNHPLJMGVACM-UHFFFAOYSA-N 1 2 329.429 1.748 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000080941180 441210745 /nfs/dbraw/zinc/21/07/45/441210745.db2.gz QGIITIOUIKHQJU-KRWDZBQOSA-N 1 2 338.411 1.528 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000080941180 441210749 /nfs/dbraw/zinc/21/07/49/441210749.db2.gz QGIITIOUIKHQJU-KRWDZBQOSA-N 1 2 338.411 1.528 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000023365286 441294994 /nfs/dbraw/zinc/29/49/94/441294994.db2.gz WKMPWGIDOFDHOV-CQSZACIVSA-N 1 2 348.422 1.073 20 30 EDEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073647703 441338985 /nfs/dbraw/zinc/33/89/85/441338985.db2.gz ZYHOWOPKKGLUQE-HNNXBMFYSA-N 1 2 329.448 1.626 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000073353820 441311955 /nfs/dbraw/zinc/31/19/55/441311955.db2.gz LXZVPANAUVWCJH-UHFFFAOYSA-N 1 2 342.424 1.773 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090655 441383401 /nfs/dbraw/zinc/38/34/01/441383401.db2.gz YOYMNUBKQBPBKO-KGLIPLIRSA-N 1 2 329.466 1.036 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090655 441383403 /nfs/dbraw/zinc/38/34/03/441383403.db2.gz YOYMNUBKQBPBKO-KGLIPLIRSA-N 1 2 329.466 1.036 20 30 EDEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)NC2CCCC2)CC1 ZINC000064634427 441387463 /nfs/dbraw/zinc/38/74/63/441387463.db2.gz LFPZOYWXHIOXLM-UHFFFAOYSA-N 1 2 327.432 1.524 20 30 EDEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)NC2CCCC2)CC1 ZINC000064634427 441387469 /nfs/dbraw/zinc/38/74/69/441387469.db2.gz LFPZOYWXHIOXLM-UHFFFAOYSA-N 1 2 327.432 1.524 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000106528906 441351713 /nfs/dbraw/zinc/35/17/13/441351713.db2.gz QERAHFHXTZAZMU-GOSISDBHSA-N 1 2 341.459 1.480 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000027603576 441408755 /nfs/dbraw/zinc/40/87/55/441408755.db2.gz WFCZAKCYEMYUKA-UHFFFAOYSA-N 1 2 347.415 1.680 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000027603576 441408758 /nfs/dbraw/zinc/40/87/58/441408758.db2.gz WFCZAKCYEMYUKA-UHFFFAOYSA-N 1 2 347.415 1.680 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000051903361 441427552 /nfs/dbraw/zinc/42/75/52/441427552.db2.gz DUOULMCKSSITKM-AWEZNQCLSA-N 1 2 333.436 1.109 20 30 EDEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000088777423 441522130 /nfs/dbraw/zinc/52/21/30/441522130.db2.gz BOMFEHOLROZMPZ-LLVKDONJSA-N 1 2 334.376 1.989 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2ccco2)CC1 ZINC000053440886 441523143 /nfs/dbraw/zinc/52/31/43/441523143.db2.gz VCESBXCKEVBOAI-YJBOKZPZSA-N 1 2 332.448 1.840 20 30 EDEDLO COCCC[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000109763133 441505594 /nfs/dbraw/zinc/50/55/94/441505594.db2.gz DLNWPNRWNLQLCV-OAHLLOKOSA-N 1 2 340.420 1.723 20 30 EDEDLO COCCC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000109763133 441505595 /nfs/dbraw/zinc/50/55/95/441505595.db2.gz DLNWPNRWNLQLCV-OAHLLOKOSA-N 1 2 340.420 1.723 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)nc1 ZINC000054369181 441574858 /nfs/dbraw/zinc/57/48/58/441574858.db2.gz WPXXSJMOIBCGNC-UHFFFAOYSA-N 1 2 327.432 1.478 20 30 EDEDLO N#Cc1ccccc1OCC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000033044817 441585976 /nfs/dbraw/zinc/58/59/76/441585976.db2.gz DKEHPYHSDNJQHE-UHFFFAOYSA-N 1 2 333.351 1.834 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2nc(CC)ns2)CC1 ZINC000076062120 441590729 /nfs/dbraw/zinc/59/07/29/441590729.db2.gz GVGPSVLTXHVPKI-CQSZACIVSA-N 1 2 349.504 1.812 20 30 EDEDLO Cn1c(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc(=O)n(C)c1=O ZINC000076153053 441604752 /nfs/dbraw/zinc/60/47/52/441604752.db2.gz XFEDPOODUKWDCQ-IRXDYDNUSA-N 1 2 338.411 1.356 20 30 EDEDLO Cn1c(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc(=O)n(C)c1=O ZINC000076153053 441604757 /nfs/dbraw/zinc/60/47/57/441604757.db2.gz XFEDPOODUKWDCQ-IRXDYDNUSA-N 1 2 338.411 1.356 20 30 EDEDLO Cc1cc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000067608147 441657500 /nfs/dbraw/zinc/65/75/00/441657500.db2.gz BZVYBZKHJDLKOU-UHFFFAOYSA-N 1 2 339.399 1.882 20 30 EDEDLO C=CCCCN(C)c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000076690902 441675605 /nfs/dbraw/zinc/67/56/05/441675605.db2.gz SMFSBIUKULTGSY-UHFFFAOYSA-N 1 2 338.477 1.420 20 30 EDEDLO CC[N@H+](CCOc1ccc(C#N)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000077248386 441743138 /nfs/dbraw/zinc/74/31/38/441743138.db2.gz GANDGVQUSRCMFU-AWEZNQCLSA-N 1 2 338.429 1.455 20 30 EDEDLO CC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000077248386 441743140 /nfs/dbraw/zinc/74/31/40/441743140.db2.gz GANDGVQUSRCMFU-AWEZNQCLSA-N 1 2 338.429 1.455 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)c2ccco2)CC1 ZINC000092618186 441813558 /nfs/dbraw/zinc/81/35/58/441813558.db2.gz IAFMUCVNZWGHND-JKSUJKDBSA-N 1 2 332.448 1.965 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccco2)CC1 ZINC000092618186 441813562 /nfs/dbraw/zinc/81/35/62/441813562.db2.gz IAFMUCVNZWGHND-JKSUJKDBSA-N 1 2 332.448 1.965 20 30 EDEDLO C=CC[N@H+](CC(=O)NC[C@@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000068855079 441860069 /nfs/dbraw/zinc/86/00/69/441860069.db2.gz MHGUQLNWUXWYHF-INIZCTEOSA-N 1 2 333.388 1.878 20 30 EDEDLO C=CC[N@@H+](CC(=O)NC[C@@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000068855079 441860075 /nfs/dbraw/zinc/86/00/75/441860075.db2.gz MHGUQLNWUXWYHF-INIZCTEOSA-N 1 2 333.388 1.878 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000142184760 441860550 /nfs/dbraw/zinc/86/05/50/441860550.db2.gz FGBXDKCZXHEJSW-OAHLLOKOSA-N 1 2 345.443 1.534 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000142184760 441860554 /nfs/dbraw/zinc/86/05/54/441860554.db2.gz FGBXDKCZXHEJSW-OAHLLOKOSA-N 1 2 345.443 1.534 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C[C@H]21 ZINC000159725271 441833907 /nfs/dbraw/zinc/83/39/07/441833907.db2.gz AKDQSYYLFQQRKS-HZPDHXFCSA-N 1 2 329.400 1.257 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C[C@H]21 ZINC000159725271 441833912 /nfs/dbraw/zinc/83/39/12/441833912.db2.gz AKDQSYYLFQQRKS-HZPDHXFCSA-N 1 2 329.400 1.257 20 30 EDEDLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000118836757 441905409 /nfs/dbraw/zinc/90/54/09/441905409.db2.gz AMQZLXSRXQEKPI-HNAYVOBHSA-N 1 2 341.459 1.569 20 30 EDEDLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000118836755 441905537 /nfs/dbraw/zinc/90/55/37/441905537.db2.gz AMQZLXSRXQEKPI-BEFAXECRSA-N 1 2 341.459 1.569 20 30 EDEDLO CC(C)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000118830370 441905712 /nfs/dbraw/zinc/90/57/12/441905712.db2.gz FZWMUZJPLXTIPJ-MRXNPFEDSA-N 1 2 348.491 1.908 20 30 EDEDLO CC(C)C(=O)N1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000118830370 441905716 /nfs/dbraw/zinc/90/57/16/441905716.db2.gz FZWMUZJPLXTIPJ-MRXNPFEDSA-N 1 2 348.491 1.908 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cc(C#N)c[nH]3)c[nH+]2)CCO1 ZINC000175328891 442042411 /nfs/dbraw/zinc/04/24/11/442042411.db2.gz APJQFVZKVARPPZ-LBPRGKRZSA-N 1 2 325.372 1.436 20 30 EDEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)NCC)CC2)cc1OC ZINC000126424629 442110852 /nfs/dbraw/zinc/11/08/52/442110852.db2.gz JIMTYWCLIHKAHM-UHFFFAOYSA-N 1 2 347.459 1.514 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000096971574 442152620 /nfs/dbraw/zinc/15/26/20/442152620.db2.gz PUNUIKDIHZFBLI-HNNXBMFYSA-N 1 2 330.494 1.700 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000096971574 442152621 /nfs/dbraw/zinc/15/26/21/442152621.db2.gz PUNUIKDIHZFBLI-HNNXBMFYSA-N 1 2 330.494 1.700 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170629163 442238834 /nfs/dbraw/zinc/23/88/34/442238834.db2.gz HMGHPDBGVYRFMC-CQSZACIVSA-N 1 2 331.416 1.553 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000170629163 442238838 /nfs/dbraw/zinc/23/88/38/442238838.db2.gz HMGHPDBGVYRFMC-CQSZACIVSA-N 1 2 331.416 1.553 20 30 EDEDLO COCCOC1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000177082477 442295633 /nfs/dbraw/zinc/29/56/33/442295633.db2.gz XKMSGISXVYTHJV-KRWDZBQOSA-N 1 2 332.400 1.900 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)cn1 ZINC000171075112 442306681 /nfs/dbraw/zinc/30/66/81/442306681.db2.gz PXCYCZHMWGTJRX-UHFFFAOYSA-N 1 2 348.453 1.351 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)cn1 ZINC000171075112 442306685 /nfs/dbraw/zinc/30/66/85/442306685.db2.gz PXCYCZHMWGTJRX-UHFFFAOYSA-N 1 2 348.453 1.351 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000132033279 442385814 /nfs/dbraw/zinc/38/58/14/442385814.db2.gz CWKQBQPYQACPNE-YJBOKZPZSA-N 1 2 343.427 1.602 20 30 EDEDLO Cn1ccnc1C[NH+]1CCC(C(=O)N(CCC#N)CC2CC2)CC1 ZINC000171545420 442356481 /nfs/dbraw/zinc/35/64/81/442356481.db2.gz FPXJNOJYWVFXRL-UHFFFAOYSA-N 1 2 329.448 1.784 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc2c1OCCCO2 ZINC000154794638 442357413 /nfs/dbraw/zinc/35/74/13/442357413.db2.gz NAPLSVOXEUNALX-UHFFFAOYSA-N 1 2 345.443 1.896 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1C#N ZINC000133392839 442416320 /nfs/dbraw/zinc/41/63/20/442416320.db2.gz FYHRQCJDAARRCW-ZDUSSCGKSA-N 1 2 334.445 1.381 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1C#N ZINC000133392839 442416323 /nfs/dbraw/zinc/41/63/23/442416323.db2.gz FYHRQCJDAARRCW-ZDUSSCGKSA-N 1 2 334.445 1.381 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000156495045 442487075 /nfs/dbraw/zinc/48/70/75/442487075.db2.gz RBAJAWUGFUVZNY-UHFFFAOYSA-N 1 2 342.424 1.901 20 30 EDEDLO C=CC[NH+]1CCC(NC(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000179807296 442505858 /nfs/dbraw/zinc/50/58/58/442505858.db2.gz PDVQRGPCQPCZHK-UHFFFAOYSA-N 1 2 328.459 1.532 20 30 EDEDLO CC(C)CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000172772260 442540329 /nfs/dbraw/zinc/54/03/29/442540329.db2.gz DHBWENRTYYLYBU-UHFFFAOYSA-N 1 2 343.475 1.992 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000192067048 442582899 /nfs/dbraw/zinc/58/28/99/442582899.db2.gz SORYUSZFYDXQFT-GOSISDBHSA-N 1 2 325.456 1.667 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)COc3ccccc3C#N)CC2)S1 ZINC000173074360 442599434 /nfs/dbraw/zinc/59/94/34/442599434.db2.gz OGHFGWLYTLBVLL-CYBMUJFWSA-N 1 2 344.440 1.573 20 30 EDEDLO C[C@@]1(C(N)=O)CCCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192783682 442686121 /nfs/dbraw/zinc/68/61/21/442686121.db2.gz JYTWUPXYCTWIJW-APWZRJJASA-N 1 2 340.427 1.784 20 30 EDEDLO C[C@@]1(C(N)=O)CCCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192783682 442686123 /nfs/dbraw/zinc/68/61/23/442686123.db2.gz JYTWUPXYCTWIJW-APWZRJJASA-N 1 2 340.427 1.784 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1c[nH]c2cc(F)ccc21 ZINC000181928426 442722017 /nfs/dbraw/zinc/72/20/17/442722017.db2.gz XSXACDQJMWQSPS-UHFFFAOYSA-N 1 2 344.390 1.995 20 30 EDEDLO COC(=O)c1ccc(F)c(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000181964157 442723910 /nfs/dbraw/zinc/72/39/10/442723910.db2.gz FXMIOQDWVCAOKI-UHFFFAOYSA-N 1 2 349.406 1.660 20 30 EDEDLO CN1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C1=O ZINC000265639158 442856976 /nfs/dbraw/zinc/85/69/76/442856976.db2.gz JCXVOLIUYGNCHF-ZDUSSCGKSA-N 1 2 332.429 1.403 20 30 EDEDLO CN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C1=O ZINC000265639158 442856981 /nfs/dbraw/zinc/85/69/81/442856981.db2.gz JCXVOLIUYGNCHF-ZDUSSCGKSA-N 1 2 332.429 1.403 20 30 EDEDLO CC[C@@H](COC)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000265665339 442870943 /nfs/dbraw/zinc/87/09/43/442870943.db2.gz CEAPODUAEUMOEY-KRWDZBQOSA-N 1 2 330.432 1.810 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000189528899 442973284 /nfs/dbraw/zinc/97/32/84/442973284.db2.gz TVPRFRPHUDVMIE-ZDUSSCGKSA-N 1 2 345.472 1.812 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2nccs2)CC1 ZINC000184421368 443019919 /nfs/dbraw/zinc/01/99/19/443019919.db2.gz DQETZPBMCVQYKV-KBPBESRZSA-N 1 2 335.477 1.486 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000253355685 443049511 /nfs/dbraw/zinc/04/95/11/443049511.db2.gz GHGOOFDHFBEFLU-YQVWRLOYSA-N 1 2 348.487 1.542 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000253355685 443049512 /nfs/dbraw/zinc/04/95/12/443049512.db2.gz GHGOOFDHFBEFLU-YQVWRLOYSA-N 1 2 348.487 1.542 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000255380312 443096768 /nfs/dbraw/zinc/09/67/68/443096768.db2.gz NSOXGPMJHPMNLP-IJVDHGTGSA-N 1 2 329.400 1.439 20 30 EDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)NCc1ccc(C#N)cc1 ZINC000266200345 443054708 /nfs/dbraw/zinc/05/47/08/443054708.db2.gz KXHGUENWJXJLSJ-ZDUSSCGKSA-N 1 2 332.404 1.524 20 30 EDEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245426498 443225955 /nfs/dbraw/zinc/22/59/55/443225955.db2.gz LHVHHXFWYXWXQY-SQWLQELKSA-N 1 2 341.477 1.082 20 30 EDEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245426498 443225957 /nfs/dbraw/zinc/22/59/57/443225957.db2.gz LHVHHXFWYXWXQY-SQWLQELKSA-N 1 2 341.477 1.082 20 30 EDEDLO CN1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O ZINC000191089872 443239583 /nfs/dbraw/zinc/23/95/83/443239583.db2.gz MZJMCDMXVQUUIO-INIZCTEOSA-N 1 2 326.400 1.218 20 30 EDEDLO CN1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O ZINC000191089872 443239587 /nfs/dbraw/zinc/23/95/87/443239587.db2.gz MZJMCDMXVQUUIO-INIZCTEOSA-N 1 2 326.400 1.218 20 30 EDEDLO CCN(C[C@H](C)C#N)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000245775945 443249546 /nfs/dbraw/zinc/24/95/46/443249546.db2.gz LKVFMTALRXOAIZ-HZPDHXFCSA-N 1 2 329.448 1.600 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C)CC1 ZINC000282451258 443343344 /nfs/dbraw/zinc/34/33/44/443343344.db2.gz KXIHUGXQLQNWAH-UHFFFAOYSA-N 1 2 341.415 1.255 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264626216 443352597 /nfs/dbraw/zinc/35/25/97/443352597.db2.gz SPCCLWMKNIIYMD-DZGCQCFKSA-N 1 2 341.333 1.562 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264626216 443352598 /nfs/dbraw/zinc/35/25/98/443352598.db2.gz SPCCLWMKNIIYMD-DZGCQCFKSA-N 1 2 341.333 1.562 20 30 EDEDLO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000282627484 443392645 /nfs/dbraw/zinc/39/26/45/443392645.db2.gz OSIBAFXUTKRZJV-HNNXBMFYSA-N 1 2 348.495 1.624 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C2 ZINC000282785754 443433717 /nfs/dbraw/zinc/43/37/17/443433717.db2.gz XHHMRXQIYMOASE-GFCCVEGCSA-N 1 2 339.465 1.238 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000282802557 443438622 /nfs/dbraw/zinc/43/86/22/443438622.db2.gz OQMSMQWTKBNLFK-UHFFFAOYSA-N 1 2 348.422 1.718 20 30 EDEDLO Cc1cccc(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)c1C#N ZINC000269692986 443398533 /nfs/dbraw/zinc/39/85/33/443398533.db2.gz XQCRDPIWNYZTTJ-UHFFFAOYSA-N 1 2 330.413 1.878 20 30 EDEDLO CO[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000269894120 443455587 /nfs/dbraw/zinc/45/55/87/443455587.db2.gz BYNQMGQOMINVOD-QGZVFWFLSA-N 1 2 331.416 1.449 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000272853325 443467068 /nfs/dbraw/zinc/46/70/68/443467068.db2.gz ODLZDIILTVNZBS-OAHLLOKOSA-N 1 2 339.461 1.189 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000272988366 443511017 /nfs/dbraw/zinc/51/10/17/443511017.db2.gz QCFPRCRXEWVFGB-UHFFFAOYSA-N 1 2 336.417 1.043 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCc2cc(OC)c(OC)cc2C1)C1CC1 ZINC000274017046 443592010 /nfs/dbraw/zinc/59/20/10/443592010.db2.gz BMCVKYJVCLXRLS-UHFFFAOYSA-N 1 2 328.412 1.686 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCc2cc(OC)c(OC)cc2C1)C1CC1 ZINC000274017046 443592014 /nfs/dbraw/zinc/59/20/14/443592014.db2.gz BMCVKYJVCLXRLS-UHFFFAOYSA-N 1 2 328.412 1.686 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000283266541 443582448 /nfs/dbraw/zinc/58/24/48/443582448.db2.gz FPOLBNGXGAXDCP-CJNGLKHVSA-N 1 2 342.399 1.048 20 30 EDEDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279435002 443586445 /nfs/dbraw/zinc/58/64/45/443586445.db2.gz QTBVTRMLYQPIED-INIZCTEOSA-N 1 2 338.415 1.569 20 30 EDEDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279435002 443586446 /nfs/dbraw/zinc/58/64/46/443586446.db2.gz QTBVTRMLYQPIED-INIZCTEOSA-N 1 2 338.415 1.569 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000279256509 443542033 /nfs/dbraw/zinc/54/20/33/443542033.db2.gz ALEQDZJNDGRIFY-HZPDHXFCSA-N 1 2 333.480 1.522 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000279256509 443542034 /nfs/dbraw/zinc/54/20/34/443542034.db2.gz ALEQDZJNDGRIFY-HZPDHXFCSA-N 1 2 333.480 1.522 20 30 EDEDLO C[C@H](c1cccc(NC(=O)C(=O)NCCCC#N)c1)[NH+]1CCOCC1 ZINC000273136599 443546461 /nfs/dbraw/zinc/54/64/61/443546461.db2.gz RYMVCTSDXUHGPZ-CQSZACIVSA-N 1 2 344.415 1.438 20 30 EDEDLO C=CCC[C@@H](C(=O)NCCC[N@@H+]1CCNC(=O)C1)c1ccccc1 ZINC000275327683 443625306 /nfs/dbraw/zinc/62/53/06/443625306.db2.gz MHIJZBRBFWMWCC-QGZVFWFLSA-N 1 2 329.444 1.675 20 30 EDEDLO C=CCC[C@@H](C(=O)NCCC[N@H+]1CCNC(=O)C1)c1ccccc1 ZINC000275327683 443625309 /nfs/dbraw/zinc/62/53/09/443625309.db2.gz MHIJZBRBFWMWCC-QGZVFWFLSA-N 1 2 329.444 1.675 20 30 EDEDLO C=CCCCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000274472329 443605582 /nfs/dbraw/zinc/60/55/82/443605582.db2.gz CQPLZBOVCBMTQZ-UHFFFAOYSA-N 1 2 345.443 1.930 20 30 EDEDLO CN(C)c1noc(CO[NH+]=C(N)c2cccc(C(F)(F)F)c2)n1 ZINC000283531314 443654575 /nfs/dbraw/zinc/65/45/75/443654575.db2.gz MILPEACDWCDNBE-UHFFFAOYSA-N 1 2 329.282 1.992 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000283549963 443658790 /nfs/dbraw/zinc/65/87/90/443658790.db2.gz QOKWTUPESIYYJN-UHFFFAOYSA-N 1 2 326.400 1.662 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc(OCC#N)c1 ZINC000286871894 443728611 /nfs/dbraw/zinc/72/86/11/443728611.db2.gz CXQRBSWSWXRQTE-GDBMZVCRSA-N 1 2 344.415 1.916 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CCN1C ZINC000280627584 443739035 /nfs/dbraw/zinc/73/90/35/443739035.db2.gz ZQKQLWFAEPCUFM-GFCCVEGCSA-N 1 2 327.348 1.088 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1OC ZINC000284286336 443771779 /nfs/dbraw/zinc/77/17/79/443771779.db2.gz ZBUDISIZRILUSC-CVEARBPZSA-N 1 2 346.427 1.805 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1OC ZINC000284286336 443771780 /nfs/dbraw/zinc/77/17/80/443771780.db2.gz ZBUDISIZRILUSC-CVEARBPZSA-N 1 2 346.427 1.805 20 30 EDEDLO C=CCCCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000284343184 443773110 /nfs/dbraw/zinc/77/31/10/443773110.db2.gz NLVAETWPCMRXTF-HNNXBMFYSA-N 1 2 344.390 1.847 20 30 EDEDLO COC[C@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC(C)(C)O1 ZINC000284608059 443781525 /nfs/dbraw/zinc/78/15/25/443781525.db2.gz RQUGBLMXQKKSFP-IAGOWNOFSA-N 1 2 343.427 1.789 20 30 EDEDLO COC[C@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC(C)(C)O1 ZINC000284608059 443781526 /nfs/dbraw/zinc/78/15/26/443781526.db2.gz RQUGBLMXQKKSFP-IAGOWNOFSA-N 1 2 343.427 1.789 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCc2ccccc2C)C1=O ZINC000281217319 443850068 /nfs/dbraw/zinc/85/00/68/443850068.db2.gz DNWIDZSCDKKNMZ-KRWDZBQOSA-N 1 2 329.444 1.372 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCc2ccccc2C)C1=O ZINC000281217319 443850070 /nfs/dbraw/zinc/85/00/70/443850070.db2.gz DNWIDZSCDKKNMZ-KRWDZBQOSA-N 1 2 329.444 1.372 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000281219747 443851431 /nfs/dbraw/zinc/85/14/31/443851431.db2.gz DTAADJCCYNCXKL-HNNXBMFYSA-N 1 2 346.387 1.276 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000281219747 443851435 /nfs/dbraw/zinc/85/14/35/443851435.db2.gz DTAADJCCYNCXKL-HNNXBMFYSA-N 1 2 346.387 1.276 20 30 EDEDLO N#C[C@H](C(=O)C[N@H+]1CCCC[C@@H]1CO)c1nc2ccccc2c(=O)[nH]1 ZINC000298756493 443859697 /nfs/dbraw/zinc/85/96/97/443859697.db2.gz OSRHCLWTXPDOHY-TZMCWYRMSA-N 1 2 340.383 1.358 20 30 EDEDLO N#C[C@H](C(=O)C[N@@H+]1CCCC[C@@H]1CO)c1nc2ccccc2c(=O)[nH]1 ZINC000298756493 443859700 /nfs/dbraw/zinc/85/97/00/443859700.db2.gz OSRHCLWTXPDOHY-TZMCWYRMSA-N 1 2 340.383 1.358 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2C)C1=O ZINC000281416722 443904962 /nfs/dbraw/zinc/90/49/62/443904962.db2.gz RNDWHADINUNDRS-QGZVFWFLSA-N 1 2 329.444 1.672 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2C)C1=O ZINC000281416722 443904964 /nfs/dbraw/zinc/90/49/64/443904964.db2.gz RNDWHADINUNDRS-QGZVFWFLSA-N 1 2 329.444 1.672 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000281472703 443921976 /nfs/dbraw/zinc/92/19/76/443921976.db2.gz UUPKWVIMYIGRGF-KGLIPLIRSA-N 1 2 332.452 1.629 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000281472703 443921982 /nfs/dbraw/zinc/92/19/82/443921982.db2.gz UUPKWVIMYIGRGF-KGLIPLIRSA-N 1 2 332.452 1.629 20 30 EDEDLO C=CCNC(=O)c1ccc(NCC[N@H+]2CCN(C)C(C)(C)C2)nc1 ZINC000281631690 443964078 /nfs/dbraw/zinc/96/40/78/443964078.db2.gz LNPAEMUXJWQFKU-UHFFFAOYSA-N 1 2 331.464 1.435 20 30 EDEDLO C=CCNC(=O)c1ccc(NCC[N@@H+]2CCN(C)C(C)(C)C2)nc1 ZINC000281631690 443964083 /nfs/dbraw/zinc/96/40/83/443964083.db2.gz LNPAEMUXJWQFKU-UHFFFAOYSA-N 1 2 331.464 1.435 20 30 EDEDLO C=CCCCS(=O)(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000293279893 443971393 /nfs/dbraw/zinc/97/13/93/443971393.db2.gz HSEBPCNPJZXAHQ-CYBMUJFWSA-N 1 2 339.465 1.373 20 30 EDEDLO C=CCCCS(=O)(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000293279893 443971399 /nfs/dbraw/zinc/97/13/99/443971399.db2.gz HSEBPCNPJZXAHQ-CYBMUJFWSA-N 1 2 339.465 1.373 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000281719470 443987866 /nfs/dbraw/zinc/98/78/66/443987866.db2.gz FBVODVLMTSWAAT-ZWKOTPCHSA-N 1 2 344.459 1.890 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000281914557 444038185 /nfs/dbraw/zinc/03/81/85/444038185.db2.gz GUACYMUCIAKDME-INIZCTEOSA-N 1 2 330.388 1.504 20 30 EDEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000293529190 444044026 /nfs/dbraw/zinc/04/40/26/444044026.db2.gz PIBFZUVSAYOQNH-UHFFFAOYSA-N 1 2 344.864 1.849 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(CC)cc3)CC2)C1=O ZINC000281944310 444044854 /nfs/dbraw/zinc/04/48/54/444044854.db2.gz JBOTWAAMPPWQTK-GOSISDBHSA-N 1 2 341.455 1.794 20 30 EDEDLO Cc1ccccc1CNC(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562362260 321053683 /nfs/dbraw/zinc/05/36/83/321053683.db2.gz BIVILNNTRGACRF-UHFFFAOYSA-N 1 2 349.438 1.700 20 30 EDEDLO CC(C)(C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000293919330 444095765 /nfs/dbraw/zinc/09/57/65/444095765.db2.gz PGUHRQRHKOJQTN-SJORKVTESA-N 1 2 327.428 1.863 20 30 EDEDLO N#Cc1cnn2cc(C[N@@H+]3CCO[C@H](c4cccc(O)c4)C3)cnc12 ZINC000567895443 321266880 /nfs/dbraw/zinc/26/68/80/321266880.db2.gz IXMMUJIGXLFNSE-KRWDZBQOSA-N 1 2 335.367 1.880 20 30 EDEDLO N#Cc1cnn2cc(C[N@H+]3CCO[C@H](c4cccc(O)c4)C3)cnc12 ZINC000567895443 321266881 /nfs/dbraw/zinc/26/68/81/321266881.db2.gz IXMMUJIGXLFNSE-KRWDZBQOSA-N 1 2 335.367 1.880 20 30 EDEDLO Cn1cc(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cn1 ZINC000570931531 321364446 /nfs/dbraw/zinc/36/44/46/321364446.db2.gz UQFLMTVXVVZCQU-UHFFFAOYSA-N 1 2 326.360 1.522 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000294520662 444120040 /nfs/dbraw/zinc/12/00/40/444120040.db2.gz IEOUMQGHQAROHR-MSOLQXFVSA-N 1 2 344.455 1.774 20 30 EDEDLO Cc1noc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000285860846 444132806 /nfs/dbraw/zinc/13/28/06/444132806.db2.gz YKIKZLSUFQACLP-HOCLYGCPSA-N 1 2 328.372 1.827 20 30 EDEDLO Cc1noc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)n1 ZINC000285860846 444132809 /nfs/dbraw/zinc/13/28/09/444132809.db2.gz YKIKZLSUFQACLP-HOCLYGCPSA-N 1 2 328.372 1.827 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000294859586 444151497 /nfs/dbraw/zinc/15/14/97/444151497.db2.gz GETKSTMTJFIJAO-KFWWJZLASA-N 1 2 336.457 1.664 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000294859586 444151500 /nfs/dbraw/zinc/15/15/00/444151500.db2.gz GETKSTMTJFIJAO-KFWWJZLASA-N 1 2 336.457 1.664 20 30 EDEDLO CCCCOC[C@@H](O)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000289492304 444158254 /nfs/dbraw/zinc/15/82/54/444158254.db2.gz PDXUPKSDFOCONQ-AWEZNQCLSA-N 1 2 338.477 1.623 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000289382727 444125275 /nfs/dbraw/zinc/12/52/75/444125275.db2.gz CMLAWRCOAWXTEL-KRWDZBQOSA-N 1 2 342.424 1.631 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000289382727 444125278 /nfs/dbraw/zinc/12/52/78/444125278.db2.gz CMLAWRCOAWXTEL-KRWDZBQOSA-N 1 2 342.424 1.631 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C(C)C)CC1 ZINC000296040495 444201099 /nfs/dbraw/zinc/20/10/99/444201099.db2.gz QNOLJNNDWTWGHG-UHFFFAOYSA-N 1 2 341.463 1.476 20 30 EDEDLO C#CCOc1ccc(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000296424706 444228622 /nfs/dbraw/zinc/22/86/22/444228622.db2.gz NCWQAARJKNMTPI-HZPDHXFCSA-N 1 2 345.443 1.607 20 30 EDEDLO CCc1nnc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c(C#N)c1CC ZINC000290735511 444316950 /nfs/dbraw/zinc/31/69/50/444316950.db2.gz BIPVZFKNOGSGCK-CXAGYDPISA-N 1 2 329.448 1.772 20 30 EDEDLO C[C@](O)(CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C1CC1 ZINC000328771046 444346635 /nfs/dbraw/zinc/34/66/35/444346635.db2.gz JGPFEWKEMMTDGL-JKSUJKDBSA-N 1 2 328.478 1.702 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328779480 444349135 /nfs/dbraw/zinc/34/91/35/444349135.db2.gz GREARMFIRKXYRR-HZPDHXFCSA-N 1 2 339.480 1.902 20 30 EDEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC[C@@H]1Cc2ccccc2O1 ZINC000328783516 444351448 /nfs/dbraw/zinc/35/14/48/444351448.db2.gz JYWZYAVCDLJNSH-RRFJBIMHSA-N 1 2 329.400 1.997 20 30 EDEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC[C@@H]1Cc2ccccc2O1 ZINC000328783516 444351450 /nfs/dbraw/zinc/35/14/50/444351450.db2.gz JYWZYAVCDLJNSH-RRFJBIMHSA-N 1 2 329.400 1.997 20 30 EDEDLO CN1CCOC[C@@H]1C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000328921156 444403705 /nfs/dbraw/zinc/40/37/05/444403705.db2.gz CCAPCMMCIHVUNS-OAHLLOKOSA-N 1 2 345.403 1.318 20 30 EDEDLO C=CCn1c(-c2cccn2C)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000337823544 444424462 /nfs/dbraw/zinc/42/44/62/444424462.db2.gz UBLOVVMQARWBEJ-HNNXBMFYSA-N 1 2 342.447 1.381 20 30 EDEDLO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000337731889 444379092 /nfs/dbraw/zinc/37/90/92/444379092.db2.gz AGZAVBZCMDRQRZ-AWEZNQCLSA-N 1 2 334.468 1.236 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cnc(C4CC4)nc3)C[C@@H]21 ZINC000328864956 444380727 /nfs/dbraw/zinc/38/07/27/444380727.db2.gz GHRWBKZFFQYGLW-JKSUJKDBSA-N 1 2 345.447 1.215 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCc3cnc(C4CC4)nc3)C[C@@H]21 ZINC000328864956 444380730 /nfs/dbraw/zinc/38/07/30/444380730.db2.gz GHRWBKZFFQYGLW-JKSUJKDBSA-N 1 2 345.447 1.215 20 30 EDEDLO CCOCCC1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000328875244 444384485 /nfs/dbraw/zinc/38/44/85/444384485.db2.gz JSAGKGSGCOIDEA-GJZGRUSLSA-N 1 2 325.453 1.512 20 30 EDEDLO CCOCCC1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000328875244 444384487 /nfs/dbraw/zinc/38/44/87/444384487.db2.gz JSAGKGSGCOIDEA-GJZGRUSLSA-N 1 2 325.453 1.512 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ncccc1Br ZINC000331079302 444385863 /nfs/dbraw/zinc/38/58/63/444385863.db2.gz YESPQQJGYBAQNR-SNVBAGLBSA-N 1 2 328.210 1.869 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ncccc1Br ZINC000331079302 444385865 /nfs/dbraw/zinc/38/58/65/444385865.db2.gz YESPQQJGYBAQNR-SNVBAGLBSA-N 1 2 328.210 1.869 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000340451793 444387362 /nfs/dbraw/zinc/38/73/62/444387362.db2.gz QQOJGDZMDAHQKW-UHFFFAOYSA-N 1 2 340.427 1.972 20 30 EDEDLO CC(C)C(=O)Nc1cc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccn1 ZINC000328910157 444399059 /nfs/dbraw/zinc/39/90/59/444399059.db2.gz FJSMQGZZNVRZRG-KBPBESRZSA-N 1 2 332.404 1.481 20 30 EDEDLO CC(C)C(=O)Nc1cc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)ccn1 ZINC000328910157 444399063 /nfs/dbraw/zinc/39/90/63/444399063.db2.gz FJSMQGZZNVRZRG-KBPBESRZSA-N 1 2 332.404 1.481 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCCc3c2cnn3C)C1 ZINC000328751996 444449155 /nfs/dbraw/zinc/44/91/55/444449155.db2.gz CQRSKKSECCIPOP-TZMCWYRMSA-N 1 2 328.420 1.935 20 30 EDEDLO CCN1CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331311593 444464941 /nfs/dbraw/zinc/46/49/41/444464941.db2.gz HSHVQNZUDGLCCC-CYBMUJFWSA-N 1 2 339.465 1.358 20 30 EDEDLO Cn1cc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(C(F)(F)F)n1 ZINC000331325848 444465922 /nfs/dbraw/zinc/46/59/22/444465922.db2.gz OOFSMRLRPJOMLX-UHFFFAOYSA-N 1 2 349.357 1.876 20 30 EDEDLO Cn1cc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c(C(F)(F)F)n1 ZINC000331325848 444465925 /nfs/dbraw/zinc/46/59/25/444465925.db2.gz OOFSMRLRPJOMLX-UHFFFAOYSA-N 1 2 349.357 1.876 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)N(C)[C@H](C)CC#N)c1C ZINC000337959012 444472063 /nfs/dbraw/zinc/47/20/63/444472063.db2.gz DQKCQGBAHHUXLR-GFCCVEGCSA-N 1 2 340.449 1.618 20 30 EDEDLO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1=O ZINC000331589664 444479272 /nfs/dbraw/zinc/47/92/72/444479272.db2.gz NSKWGOWEYBGOOV-DRZSPHRISA-N 1 2 333.413 1.922 20 30 EDEDLO Cc1csc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)n1 ZINC000581856529 322223798 /nfs/dbraw/zinc/22/37/98/322223798.db2.gz XOWOOWHHNUDXSU-UHFFFAOYSA-N 1 2 330.413 1.365 20 30 EDEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CCO1 ZINC000329234710 444507895 /nfs/dbraw/zinc/50/78/95/444507895.db2.gz HZZUCXPTDLELQW-ZACQAIPSSA-N 1 2 340.512 1.720 20 30 EDEDLO CCC(CC)[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CCO1 ZINC000329234710 444507897 /nfs/dbraw/zinc/50/78/97/444507897.db2.gz HZZUCXPTDLELQW-ZACQAIPSSA-N 1 2 340.512 1.720 20 30 EDEDLO Cc1cnn(C[C@@H]2CN(C([O-])=[NH+][C@@H]3CC[N@@H+](C4CC4)C3)CCO2)c1 ZINC000329308243 444529880 /nfs/dbraw/zinc/52/98/80/444529880.db2.gz QDKVREAAKNMFOW-ZBFHGGJFSA-N 1 2 333.436 1.043 20 30 EDEDLO Cc1cnn(C[C@@H]2CN(C([O-])=[NH+][C@@H]3CC[N@H+](C4CC4)C3)CCO2)c1 ZINC000329308243 444529884 /nfs/dbraw/zinc/52/98/84/444529884.db2.gz QDKVREAAKNMFOW-ZBFHGGJFSA-N 1 2 333.436 1.043 20 30 EDEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccnc(C#N)c3)CC2)C1 ZINC000342195599 444559005 /nfs/dbraw/zinc/55/90/05/444559005.db2.gz CDCIIOBCVATUCW-HOTGVXAUSA-N 1 2 341.459 1.770 20 30 EDEDLO N#CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000343745730 444561491 /nfs/dbraw/zinc/56/14/91/444561491.db2.gz SECBUMNMLDHIJB-GWCFXTLKSA-N 1 2 327.306 1.453 20 30 EDEDLO N#CCNC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000343745730 444561494 /nfs/dbraw/zinc/56/14/94/444561494.db2.gz SECBUMNMLDHIJB-GWCFXTLKSA-N 1 2 327.306 1.453 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1O)C1CCOCC1 ZINC000329341219 444541598 /nfs/dbraw/zinc/54/15/98/444541598.db2.gz OTOYINJUAPXTJI-KFWWJZLASA-N 1 2 336.436 1.695 20 30 EDEDLO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000338278705 444607693 /nfs/dbraw/zinc/60/76/93/444607693.db2.gz OIZQVDFLPCGWSY-RDJZCZTQSA-N 1 2 349.456 1.213 20 30 EDEDLO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000338278705 444607695 /nfs/dbraw/zinc/60/76/95/444607695.db2.gz OIZQVDFLPCGWSY-RDJZCZTQSA-N 1 2 349.456 1.213 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@]3(CNC(=O)C3)C2)C1=O ZINC000342303169 444620550 /nfs/dbraw/zinc/62/05/50/444620550.db2.gz PZICEVVAVNOEES-DYVFJYSZSA-N 1 2 344.440 1.327 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@]3(CNC(=O)C3)C2)C1=O ZINC000342303169 444620555 /nfs/dbraw/zinc/62/05/55/444620555.db2.gz PZICEVVAVNOEES-DYVFJYSZSA-N 1 2 344.440 1.327 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)C1 ZINC000329665246 444671448 /nfs/dbraw/zinc/67/14/48/444671448.db2.gz QTCSWYLFSJXFJJ-OLZOCXBDSA-N 1 2 340.449 1.091 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000329772735 444712270 /nfs/dbraw/zinc/71/22/70/444712270.db2.gz KXEBXSMNAKUDKB-MCIONIFRSA-N 1 2 346.435 1.264 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)[nH+]cn1 ZINC000329772735 444712274 /nfs/dbraw/zinc/71/22/74/444712274.db2.gz KXEBXSMNAKUDKB-MCIONIFRSA-N 1 2 346.435 1.264 20 30 EDEDLO CC(=O)N(C[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000329698498 444684145 /nfs/dbraw/zinc/68/41/45/444684145.db2.gz CRAHQHVZOHYNJG-ZFWWWQNUSA-N 1 2 345.447 1.656 20 30 EDEDLO CC(=O)N(C[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000329698498 444684149 /nfs/dbraw/zinc/68/41/49/444684149.db2.gz CRAHQHVZOHYNJG-ZFWWWQNUSA-N 1 2 345.447 1.656 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4c(c3)OCCCO4)C[C@@H]21 ZINC000329898106 444757897 /nfs/dbraw/zinc/75/78/97/444757897.db2.gz DNMSUOSLDORSJW-WMLDXEAASA-N 1 2 347.415 1.277 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc4c(c3)OCCCO4)C[C@@H]21 ZINC000329898106 444757900 /nfs/dbraw/zinc/75/79/00/444757900.db2.gz DNMSUOSLDORSJW-WMLDXEAASA-N 1 2 347.415 1.277 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CCO2 ZINC000329896663 444758153 /nfs/dbraw/zinc/75/81/53/444758153.db2.gz COOAUQGHQCKVTC-UGSOOPFHSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CCO2 ZINC000329896663 444758157 /nfs/dbraw/zinc/75/81/57/444758157.db2.gz COOAUQGHQCKVTC-UGSOOPFHSA-N 1 2 340.383 1.988 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)C1(C#N)CCC1 ZINC000329912108 444764444 /nfs/dbraw/zinc/76/44/44/444764444.db2.gz AYYWDXOCPBSDPE-GJZGRUSLSA-N 1 2 333.411 1.485 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)C1(C#N)CCC1 ZINC000329912108 444764448 /nfs/dbraw/zinc/76/44/48/444764448.db2.gz AYYWDXOCPBSDPE-GJZGRUSLSA-N 1 2 333.411 1.485 20 30 EDEDLO CCN1CCN([C@H](C)C(=O)Nc2ncccn2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329929907 444774053 /nfs/dbraw/zinc/77/40/53/444774053.db2.gz ZFEGXXFZFLMVEK-CHWSQXEVSA-N 1 2 329.408 1.555 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000336917115 444851533 /nfs/dbraw/zinc/85/15/33/444851533.db2.gz NVDZMIXWSDKNOP-ZDUSSCGKSA-N 1 2 349.460 1.661 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000336948300 444869667 /nfs/dbraw/zinc/86/96/67/444869667.db2.gz QIBZXRPWPXDAQV-LBPRGKRZSA-N 1 2 335.433 1.459 20 30 EDEDLO C=CCCOCCCCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000342847807 444892210 /nfs/dbraw/zinc/89/22/10/444892210.db2.gz HJGUIUOFIBSXNK-UHFFFAOYSA-N 1 2 334.464 1.827 20 30 EDEDLO C[C@@H]1C[C@@H]1N1C[C@H]([NH+]=C([O-])N2CCC[C@H]2Cn2cc[nH+]c2)CC1=O ZINC000330245922 444904382 /nfs/dbraw/zinc/90/43/82/444904382.db2.gz KXYMYRPRWIVNFC-KBXIAJHMSA-N 1 2 331.420 1.271 20 30 EDEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1=O ZINC000330245922 444904386 /nfs/dbraw/zinc/90/43/86/444904386.db2.gz KXYMYRPRWIVNFC-KBXIAJHMSA-N 1 2 331.420 1.271 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330412728 444970788 /nfs/dbraw/zinc/97/07/88/444970788.db2.gz MDCMEMCIJYURGV-IIDMSEBBSA-N 1 2 336.480 1.666 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330412728 444970793 /nfs/dbraw/zinc/97/07/93/444970793.db2.gz MDCMEMCIJYURGV-IIDMSEBBSA-N 1 2 336.480 1.666 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C1=O ZINC000337087900 444937751 /nfs/dbraw/zinc/93/77/51/444937751.db2.gz GPADXCUGABEZNV-IAGOWNOFSA-N 1 2 327.428 1.506 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C1=O ZINC000337087900 444937754 /nfs/dbraw/zinc/93/77/54/444937754.db2.gz GPADXCUGABEZNV-IAGOWNOFSA-N 1 2 327.428 1.506 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000341833154 445024999 /nfs/dbraw/zinc/02/49/99/445024999.db2.gz OUVVZHXCXZBIJE-UHFFFAOYSA-N 1 2 342.365 1.520 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000341833154 445025002 /nfs/dbraw/zinc/02/50/02/445025002.db2.gz OUVVZHXCXZBIJE-UHFFFAOYSA-N 1 2 342.365 1.520 20 30 EDEDLO CN(C)S(=O)(=O)CCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000330550652 445030546 /nfs/dbraw/zinc/03/05/46/445030546.db2.gz XECJFYPKOTXACT-MRXNPFEDSA-N 1 2 337.445 1.213 20 30 EDEDLO CN(C)S(=O)(=O)CCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000330550652 445030550 /nfs/dbraw/zinc/03/05/50/445030550.db2.gz XECJFYPKOTXACT-MRXNPFEDSA-N 1 2 337.445 1.213 20 30 EDEDLO Cc1cc(C)c(C#N)c(NCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000339018056 444989554 /nfs/dbraw/zinc/98/95/54/444989554.db2.gz ZEWQQKRGTJDSOW-UHFFFAOYSA-N 1 2 337.431 1.594 20 30 EDEDLO N#CC1(NC(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2F)CCC1 ZINC000337235712 444997771 /nfs/dbraw/zinc/99/77/71/444997771.db2.gz XTONPEIIPYNDIC-LBPRGKRZSA-N 1 2 325.771 1.665 20 30 EDEDLO COC[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCCC2)CC(C)(C)O1 ZINC000330511388 445011830 /nfs/dbraw/zinc/01/18/30/445011830.db2.gz BSBHFUJJBQAJIE-AWEZNQCLSA-N 1 2 341.452 1.475 20 30 EDEDLO COC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCCC2)CC(C)(C)O1 ZINC000330511388 445011831 /nfs/dbraw/zinc/01/18/31/445011831.db2.gz BSBHFUJJBQAJIE-AWEZNQCLSA-N 1 2 341.452 1.475 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337422659 445073073 /nfs/dbraw/zinc/07/30/73/445073073.db2.gz VGHZQJYWXKSODR-GJZGRUSLSA-N 1 2 330.494 1.699 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337422659 445073077 /nfs/dbraw/zinc/07/30/77/445073077.db2.gz VGHZQJYWXKSODR-GJZGRUSLSA-N 1 2 330.494 1.699 20 30 EDEDLO Cc1cc(C[NH+]2CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)on1 ZINC000330638597 445074507 /nfs/dbraw/zinc/07/45/07/445074507.db2.gz BDDFMUJIZDARBS-CRAIPNDOSA-N 1 2 347.463 1.544 20 30 EDEDLO CCCS(=O)(=O)NC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000330644698 445076208 /nfs/dbraw/zinc/07/62/08/445076208.db2.gz KPQAPWSPYHZIIN-UHFFFAOYSA-N 1 2 339.436 1.991 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@@](C)(C(=O)OC)C1 ZINC000337435420 445079970 /nfs/dbraw/zinc/07/99/70/445079970.db2.gz HLIZNHGFRQZPOR-MRAWALMUSA-N 1 2 330.384 1.903 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@@](C)(C(=O)OC)C1 ZINC000337435420 445079974 /nfs/dbraw/zinc/07/99/74/445079974.db2.gz HLIZNHGFRQZPOR-MRAWALMUSA-N 1 2 330.384 1.903 20 30 EDEDLO CC[C@@H](C)CN(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330727634 445114344 /nfs/dbraw/zinc/11/43/44/445114344.db2.gz GLKNXOFGCXRXEG-CQSZACIVSA-N 1 2 347.463 1.993 20 30 EDEDLO CCC(CC)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330745191 445123440 /nfs/dbraw/zinc/12/34/40/445123440.db2.gz VKXAHLHJOIYVDD-UHFFFAOYSA-N 1 2 333.436 1.984 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339780215 445170082 /nfs/dbraw/zinc/17/00/82/445170082.db2.gz QGRHYGXHCHPXLC-XYPHTWIQSA-N 1 2 333.407 1.942 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000339780215 445170086 /nfs/dbraw/zinc/17/00/86/445170086.db2.gz QGRHYGXHCHPXLC-XYPHTWIQSA-N 1 2 333.407 1.942 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccccc2C[S@](C)=O)C1 ZINC000330867386 445173173 /nfs/dbraw/zinc/17/31/73/445173173.db2.gz DEMNVPMSLWSFGB-DMZKTXOQSA-N 1 2 325.434 1.222 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccccc2C[S@](C)=O)C1 ZINC000330867386 445173178 /nfs/dbraw/zinc/17/31/78/445173178.db2.gz DEMNVPMSLWSFGB-DMZKTXOQSA-N 1 2 325.434 1.222 20 30 EDEDLO C=CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000339921410 445182518 /nfs/dbraw/zinc/18/25/18/445182518.db2.gz UKHPLPMKMGRESQ-INIZCTEOSA-N 1 2 336.457 1.564 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000330789387 445142625 /nfs/dbraw/zinc/14/26/25/445142625.db2.gz BERIQGAYOPPTEU-UHFFFAOYSA-N 1 2 337.445 1.088 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000330789387 445142629 /nfs/dbraw/zinc/14/26/29/445142629.db2.gz BERIQGAYOPPTEU-UHFFFAOYSA-N 1 2 337.445 1.088 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C[C@@H]1C ZINC000346304986 445211558 /nfs/dbraw/zinc/21/15/58/445211558.db2.gz DBPNUJNKJKJTNK-WDEREUQCSA-N 1 2 334.445 1.935 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C[C@@H]1C ZINC000346304986 445211560 /nfs/dbraw/zinc/21/15/60/445211560.db2.gz DBPNUJNKJKJTNK-WDEREUQCSA-N 1 2 334.445 1.935 20 30 EDEDLO N#CCCCCNC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000343325406 445199297 /nfs/dbraw/zinc/19/92/97/445199297.db2.gz MSDPRXMWWFTYFW-UHFFFAOYSA-N 1 2 345.447 1.712 20 30 EDEDLO C=CCCCNC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000348063885 445264525 /nfs/dbraw/zinc/26/45/25/445264525.db2.gz TWOYHGOYFJAYAM-PBHICJAKSA-N 1 2 345.447 1.880 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N(Cc2cn3cc(Cl)ccc3[nH+]2)C1=O ZINC000348435008 445289507 /nfs/dbraw/zinc/28/95/07/445289507.db2.gz DVBYGNGKWFRQLC-LBPRGKRZSA-N 1 2 334.763 1.611 20 30 EDEDLO CCN(CCC#N)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000354906345 445432696 /nfs/dbraw/zinc/43/26/96/445432696.db2.gz YWSSISQCIOFELZ-MRXNPFEDSA-N 1 2 345.447 1.779 20 30 EDEDLO CCN(CCC#N)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000354906345 445432699 /nfs/dbraw/zinc/43/26/99/445432699.db2.gz YWSSISQCIOFELZ-MRXNPFEDSA-N 1 2 345.447 1.779 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@]2(CO)CCOC2)c1 ZINC000359829389 445450098 /nfs/dbraw/zinc/45/00/98/445450098.db2.gz HHMZWGCVSVEUBG-IBGZPJMESA-N 1 2 345.443 1.633 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@]2(CO)CCOC2)c1 ZINC000359829389 445450101 /nfs/dbraw/zinc/45/01/01/445450101.db2.gz HHMZWGCVSVEUBG-IBGZPJMESA-N 1 2 345.443 1.633 20 30 EDEDLO Cc1nc(NCc2cccc(C(=O)N3CCOC[C@@H]3C#N)c2)cc[nH+]1 ZINC000349125322 445515510 /nfs/dbraw/zinc/51/55/10/445515510.db2.gz DOGMJFBFHYLYNX-INIZCTEOSA-N 1 2 337.383 1.762 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)NCC[N@H+]2CCOC[C@H]2C)cc1 ZINC000355903879 445525225 /nfs/dbraw/zinc/52/52/25/445525225.db2.gz HRMLOQOHZWSQSL-CQSZACIVSA-N 1 2 346.431 1.445 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1 ZINC000355903879 445525230 /nfs/dbraw/zinc/52/52/30/445525230.db2.gz HRMLOQOHZWSQSL-CQSZACIVSA-N 1 2 346.431 1.445 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000352489470 445533325 /nfs/dbraw/zinc/53/33/25/445533325.db2.gz AIYUIKDMBIOOGC-OAHLLOKOSA-N 1 2 345.422 1.446 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000352912486 445564157 /nfs/dbraw/zinc/56/41/57/445564157.db2.gz DMBSILJSCIQDKC-HIFRSBDPSA-N 1 2 341.333 1.864 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000352912486 445564160 /nfs/dbraw/zinc/56/41/60/445564160.db2.gz DMBSILJSCIQDKC-HIFRSBDPSA-N 1 2 341.333 1.864 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)CCn2c(C)[nH+]c3ccccc32)C1=O ZINC000357679472 445575906 /nfs/dbraw/zinc/57/59/06/445575906.db2.gz VCRHHZXWSVXRPT-QGZVFWFLSA-N 1 2 340.427 1.980 20 30 EDEDLO CC[C@H](CC#N)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000358082312 445602809 /nfs/dbraw/zinc/60/28/09/445602809.db2.gz TYJDOZNPYIGRAM-CYBMUJFWSA-N 1 2 337.445 1.444 20 30 EDEDLO C#CC[N@@H+](CC(=O)NC)[C@H]1CCOc2ccc(Br)cc21 ZINC000362984660 445638358 /nfs/dbraw/zinc/63/83/58/445638358.db2.gz TWNDJUVRDDPLSL-ZDUSSCGKSA-N 1 2 337.217 1.954 20 30 EDEDLO C#CC[N@H+](CC(=O)NC)[C@H]1CCOc2ccc(Br)cc21 ZINC000362984660 445638359 /nfs/dbraw/zinc/63/83/59/445638359.db2.gz TWNDJUVRDDPLSL-ZDUSSCGKSA-N 1 2 337.217 1.954 20 30 EDEDLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000353386308 445592192 /nfs/dbraw/zinc/59/21/92/445592192.db2.gz NKKPQZPOXKQNBB-OAHLLOKOSA-N 1 2 343.493 1.347 20 30 EDEDLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000353386308 445592199 /nfs/dbraw/zinc/59/21/99/445592199.db2.gz NKKPQZPOXKQNBB-OAHLLOKOSA-N 1 2 343.493 1.347 20 30 EDEDLO C=CCN1C(=O)c2ccc(-c3nc(Cc4c[nH+]cn4C)no3)cc2C1=O ZINC000357930844 445594501 /nfs/dbraw/zinc/59/45/01/445594501.db2.gz FWMVOQPUGPLEKD-UHFFFAOYSA-N 1 2 349.350 1.843 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(OCC=C)c2)CC1 ZINC000349789408 445679344 /nfs/dbraw/zinc/67/93/44/445679344.db2.gz ZRUZKXNSPGQEEN-UHFFFAOYSA-N 1 2 329.444 1.671 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)C(=O)NCCC(C)C)CC2)c1C#N ZINC000349853809 445699653 /nfs/dbraw/zinc/69/96/53/445699653.db2.gz NHLLMPRMXVEVCH-HNNXBMFYSA-N 1 2 346.479 1.273 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)c1 ZINC000349999274 445745979 /nfs/dbraw/zinc/74/59/79/445745979.db2.gz AVEQZLFQQAZEGD-UHFFFAOYSA-N 1 2 343.394 1.795 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361425849 445765616 /nfs/dbraw/zinc/76/56/16/445765616.db2.gz JLSKKIUPAGWDOO-STQMWFEESA-N 1 2 329.391 1.667 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361425849 445765620 /nfs/dbraw/zinc/76/56/20/445765620.db2.gz JLSKKIUPAGWDOO-STQMWFEESA-N 1 2 329.391 1.667 20 30 EDEDLO CCc1nnc(NC[C@H]2CCC[N@H+](CC(=O)OC)C2)c(C#N)c1CC ZINC000353895667 445802794 /nfs/dbraw/zinc/80/27/94/445802794.db2.gz LHTIMCJEBLAHAA-CYBMUJFWSA-N 1 2 345.447 1.770 20 30 EDEDLO CCc1nnc(NC[C@H]2CCC[N@@H+](CC(=O)OC)C2)c(C#N)c1CC ZINC000353895667 445802799 /nfs/dbraw/zinc/80/27/99/445802799.db2.gz LHTIMCJEBLAHAA-CYBMUJFWSA-N 1 2 345.447 1.770 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356471106 445808775 /nfs/dbraw/zinc/80/87/75/445808775.db2.gz HGIRHGFFKFZMGG-CYBMUJFWSA-N 1 2 338.415 1.873 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356471106 445808780 /nfs/dbraw/zinc/80/87/80/445808780.db2.gz HGIRHGFFKFZMGG-CYBMUJFWSA-N 1 2 338.415 1.873 20 30 EDEDLO CC(C)[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)[NH+]1CCOCC1 ZINC000354072643 445887066 /nfs/dbraw/zinc/88/70/66/445887066.db2.gz QZJYXKQCEPFAKV-OAHLLOKOSA-N 1 2 343.493 1.347 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000359092080 445938384 /nfs/dbraw/zinc/93/83/84/445938384.db2.gz CQBYTKQQWRFAPM-CABCVRRESA-N 1 2 330.432 1.078 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@@H](C)C[N@@H+]1C ZINC000350947275 445955600 /nfs/dbraw/zinc/95/56/00/445955600.db2.gz ZMIAHTOHQHRFBZ-NEPJUHHUSA-N 1 2 325.409 1.552 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@@H](C)C[N@H+]1C ZINC000350947275 445955602 /nfs/dbraw/zinc/95/56/02/445955602.db2.gz ZMIAHTOHQHRFBZ-NEPJUHHUSA-N 1 2 325.409 1.552 20 30 EDEDLO C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1c1cccc(F)c1C#N ZINC000365145226 446052034 /nfs/dbraw/zinc/05/20/34/446052034.db2.gz FEGGZCMCISVEQM-CABCVRRESA-N 1 2 332.423 1.538 20 30 EDEDLO C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1c1cccc(F)c1C#N ZINC000365145226 446052038 /nfs/dbraw/zinc/05/20/38/446052038.db2.gz FEGGZCMCISVEQM-CABCVRRESA-N 1 2 332.423 1.538 20 30 EDEDLO CCCCOC[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000365148898 446053805 /nfs/dbraw/zinc/05/38/05/446053805.db2.gz QRDLDGHHVYGNKS-SFHVURJKSA-N 1 2 345.443 1.380 20 30 EDEDLO CCCCOC[C@@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000365148898 446053809 /nfs/dbraw/zinc/05/38/09/446053809.db2.gz QRDLDGHHVYGNKS-SFHVURJKSA-N 1 2 345.443 1.380 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)cc1F ZINC000354312426 446103341 /nfs/dbraw/zinc/10/33/41/446103341.db2.gz QXNREJRQYOPNGF-UHFFFAOYSA-N 1 2 341.346 1.649 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354377024 446160142 /nfs/dbraw/zinc/16/01/42/446160142.db2.gz CJKZXPQSDRYDMR-CQSZACIVSA-N 1 2 339.399 1.393 20 30 EDEDLO CC[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000366390622 446188994 /nfs/dbraw/zinc/18/89/94/446188994.db2.gz XLWGTKHCSINCTE-SJORKVTESA-N 1 2 348.491 1.372 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000366422857 446205450 /nfs/dbraw/zinc/20/54/50/446205450.db2.gz SPHBGKZEBZZNOP-KRWDZBQOSA-N 1 2 347.378 1.917 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000366422857 446205457 /nfs/dbraw/zinc/20/54/57/446205457.db2.gz SPHBGKZEBZZNOP-KRWDZBQOSA-N 1 2 347.378 1.917 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366425835 446207907 /nfs/dbraw/zinc/20/79/07/446207907.db2.gz XWJWNGDQMOGKRH-GOEBONIOSA-N 1 2 343.493 1.330 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366425835 446207912 /nfs/dbraw/zinc/20/79/12/446207912.db2.gz XWJWNGDQMOGKRH-GOEBONIOSA-N 1 2 343.493 1.330 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000362206921 446262873 /nfs/dbraw/zinc/26/28/73/446262873.db2.gz GJOIQMNOGZUFQO-OAHLLOKOSA-N 1 2 345.443 1.895 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)cc1 ZINC000370556837 446331161 /nfs/dbraw/zinc/33/11/61/446331161.db2.gz MINSVCWXSFFAPB-SFHVURJKSA-N 1 2 329.400 1.169 20 30 EDEDLO CCc1nc(C[NH+]2C[C@H]3CN(c4nc(C)ccc4C#N)C[C@@H]3C2)no1 ZINC000376107031 446338527 /nfs/dbraw/zinc/33/85/27/446338527.db2.gz OQAAYIZNLNUPNG-GJZGRUSLSA-N 1 2 338.415 1.775 20 30 EDEDLO N#Cc1ccc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c([N+](=O)[O-])c1 ZINC000374546340 446375220 /nfs/dbraw/zinc/37/52/20/446375220.db2.gz TVACXWBQBKKMND-HNNXBMFYSA-N 1 2 343.387 1.257 20 30 EDEDLO N#Cc1cccc(CCNC(=O)C2([NH+]3CCOCC3)CCCC2)c1 ZINC000366846848 446379794 /nfs/dbraw/zinc/37/97/94/446379794.db2.gz QIYBCNFSCGUJLG-UHFFFAOYSA-N 1 2 327.428 1.862 20 30 EDEDLO C=CC[C@H](CC)NC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000366987562 446445972 /nfs/dbraw/zinc/44/59/72/446445972.db2.gz FUTZZEMFBNPRPL-HNNXBMFYSA-N 1 2 338.496 1.973 20 30 EDEDLO C=CC[C@H](CC)NC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000366987562 446445977 /nfs/dbraw/zinc/44/59/77/446445977.db2.gz FUTZZEMFBNPRPL-HNNXBMFYSA-N 1 2 338.496 1.973 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000431998100 446447419 /nfs/dbraw/zinc/44/74/19/446447419.db2.gz DKFPBEYCHCPUHZ-UHFFFAOYSA-N 1 2 337.383 1.583 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000367179675 446519236 /nfs/dbraw/zinc/51/92/36/446519236.db2.gz POLLGQCJZDSAMC-LBPRGKRZSA-N 1 2 325.438 1.130 20 30 EDEDLO C=CCNc1ncc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000370924986 446525217 /nfs/dbraw/zinc/52/52/17/446525217.db2.gz QZPPPYWXOMJYGV-LBPRGKRZSA-N 1 2 331.445 2.553 20 30 EDEDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000420441415 446616383 /nfs/dbraw/zinc/61/63/83/446616383.db2.gz ONMUFNZCJUFASP-ZDUSSCGKSA-N 1 2 331.800 1.534 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(N2C(=O)CCCC2=O)CC1 ZINC000375329641 446723740 /nfs/dbraw/zinc/72/37/40/446723740.db2.gz UVPQQNZVEBEVKF-SFHVURJKSA-N 1 2 348.447 1.044 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000375384627 446762355 /nfs/dbraw/zinc/76/23/55/446762355.db2.gz PJZNLIUMFQZQRC-IAGOWNOFSA-N 1 2 334.441 1.975 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000375384627 446762356 /nfs/dbraw/zinc/76/23/56/446762356.db2.gz PJZNLIUMFQZQRC-IAGOWNOFSA-N 1 2 334.441 1.975 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCNC(=O)[C@@H]3c3cccs3)n2c1 ZINC000371334157 446784977 /nfs/dbraw/zinc/78/49/77/446784977.db2.gz XOBSIFOXSOHLMZ-INIZCTEOSA-N 1 2 337.408 1.941 20 30 EDEDLO CC(C)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@H]1CCC(=O)N1 ZINC000412065030 446827550 /nfs/dbraw/zinc/82/75/50/446827550.db2.gz CRUZVVYADODQSJ-OAHLLOKOSA-N 1 2 349.456 1.321 20 30 EDEDLO CC(C)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C[C@H]1CCC(=O)N1 ZINC000412065030 446827553 /nfs/dbraw/zinc/82/75/53/446827553.db2.gz CRUZVVYADODQSJ-OAHLLOKOSA-N 1 2 349.456 1.321 20 30 EDEDLO N#Cc1cc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)ccc1[N+](=O)[O-] ZINC000368388455 446830448 /nfs/dbraw/zinc/83/04/48/446830448.db2.gz BWWNVWLSMQBJLG-INIZCTEOSA-N 1 2 343.387 1.257 20 30 EDEDLO C=CCCn1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000424590071 446900811 /nfs/dbraw/zinc/90/08/11/446900811.db2.gz KTZOAWYXVYZRLK-UHFFFAOYSA-N 1 2 326.404 1.648 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)CCCCC1 ZINC000368455444 446872955 /nfs/dbraw/zinc/87/29/55/446872955.db2.gz QANKKFAXPCIJTD-CQSZACIVSA-N 1 2 342.447 1.581 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)CCCCC1 ZINC000368455444 446872963 /nfs/dbraw/zinc/87/29/63/446872963.db2.gz QANKKFAXPCIJTD-CQSZACIVSA-N 1 2 342.447 1.581 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)c1 ZINC000372345375 447043674 /nfs/dbraw/zinc/04/36/74/447043674.db2.gz JYMOOXWQXYVUKZ-OAHLLOKOSA-N 1 2 327.344 1.736 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)c1 ZINC000372345375 447043682 /nfs/dbraw/zinc/04/36/82/447043682.db2.gz JYMOOXWQXYVUKZ-OAHLLOKOSA-N 1 2 327.344 1.736 20 30 EDEDLO Cc1cc(NC[C@@H](O)COc2ccc3c(c2)OCO3)c(C#N)c[nH+]1 ZINC000425206128 447063318 /nfs/dbraw/zinc/06/33/18/447063318.db2.gz CLKOPKXDGKNUMZ-CYBMUJFWSA-N 1 2 327.340 1.264 20 30 EDEDLO Cc1cc(NCCCN2C(=O)NC3(CCCCC3)C2=O)c(C#N)c[nH+]1 ZINC000425212401 447065846 /nfs/dbraw/zinc/06/58/46/447065846.db2.gz VXNIEMRKWURMTE-UHFFFAOYSA-N 1 2 341.415 1.740 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000616509219 450438348 /nfs/dbraw/zinc/43/83/48/450438348.db2.gz UXLABEOBJZXKLQ-MRXNPFEDSA-N 1 2 328.416 1.772 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(C2CC2)cn1 ZINC000446124049 447234228 /nfs/dbraw/zinc/23/42/28/447234228.db2.gz XHMPNKAPNOABHZ-UHFFFAOYSA-N 1 2 328.416 1.647 20 30 EDEDLO N#C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000447811130 447292001 /nfs/dbraw/zinc/29/20/01/447292001.db2.gz CUIBIGPXBIVVGQ-CQSZACIVSA-N 1 2 332.360 1.156 20 30 EDEDLO Cc1ccc(-n2nnnc2SC[C@@H](O)C[N@H+](C)CCC#N)cc1C ZINC000414092247 447274250 /nfs/dbraw/zinc/27/42/50/447274250.db2.gz FMGQIHKSAKMKLG-HNNXBMFYSA-N 1 2 346.460 1.578 20 30 EDEDLO Cc1ccc(-n2nnnc2SC[C@@H](O)C[N@@H+](C)CCC#N)cc1C ZINC000414092247 447274256 /nfs/dbraw/zinc/27/42/56/447274256.db2.gz FMGQIHKSAKMKLG-HNNXBMFYSA-N 1 2 346.460 1.578 20 30 EDEDLO Cc1noc(COc2ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc2)n1 ZINC000414118902 447276159 /nfs/dbraw/zinc/27/61/59/447276159.db2.gz ABNQRTPBWHAQOG-AWEZNQCLSA-N 1 2 346.387 1.542 20 30 EDEDLO Cc1noc(COc2ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc2)n1 ZINC000414118902 447276162 /nfs/dbraw/zinc/27/61/62/447276162.db2.gz ABNQRTPBWHAQOG-AWEZNQCLSA-N 1 2 346.387 1.542 20 30 EDEDLO CC#CCCCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495373514 447497876 /nfs/dbraw/zinc/49/78/76/447497876.db2.gz ZXHSSMIKNXGYDC-HNNXBMFYSA-N 1 2 337.464 1.847 20 30 EDEDLO CC#CCCCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495373514 447497880 /nfs/dbraw/zinc/49/78/80/447497880.db2.gz ZXHSSMIKNXGYDC-HNNXBMFYSA-N 1 2 337.464 1.847 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](CNS(=O)(=O)[C@H](C)C#N)[C@@H]1c1ccccc1 ZINC000416480678 447618052 /nfs/dbraw/zinc/61/80/52/447618052.db2.gz SGACIZSGYVVKOF-KBMXLJTQSA-N 1 2 337.445 1.280 20 30 EDEDLO COC(=O)c1cccc2c1CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000459533225 447698052 /nfs/dbraw/zinc/69/80/52/447698052.db2.gz GFZULGCVZIEJGM-LJQANCHMSA-N 1 2 341.411 1.640 20 30 EDEDLO COC(=O)c1cccc2c1CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000459533225 447698058 /nfs/dbraw/zinc/69/80/58/447698058.db2.gz GFZULGCVZIEJGM-LJQANCHMSA-N 1 2 341.411 1.640 20 30 EDEDLO N#Cc1cnc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000427919629 447670180 /nfs/dbraw/zinc/67/01/80/447670180.db2.gz YZKUYJZFIHKOAJ-UHFFFAOYSA-N 1 2 327.775 1.964 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H](C)C1 ZINC000459468238 447676442 /nfs/dbraw/zinc/67/64/42/447676442.db2.gz SKKKBZOPKQPLHK-OKILXGFUSA-N 1 2 336.461 1.141 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H](C)C1 ZINC000459468238 447676445 /nfs/dbraw/zinc/67/64/45/447676445.db2.gz SKKKBZOPKQPLHK-OKILXGFUSA-N 1 2 336.461 1.141 20 30 EDEDLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459467561 447677122 /nfs/dbraw/zinc/67/71/22/447677122.db2.gz QEGSXRGRTUMWBJ-IUODEOHRSA-N 1 2 348.834 1.985 20 30 EDEDLO C=CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000495959564 447677352 /nfs/dbraw/zinc/67/73/52/447677352.db2.gz IQZCIDAWIFSGMK-CQSZACIVSA-N 1 2 346.493 1.919 20 30 EDEDLO C=CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000495959564 447677357 /nfs/dbraw/zinc/67/73/57/447677357.db2.gz IQZCIDAWIFSGMK-CQSZACIVSA-N 1 2 346.493 1.919 20 30 EDEDLO COC(=O)c1cccnc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000459494943 447687701 /nfs/dbraw/zinc/68/77/01/447687701.db2.gz SOVZAWQRNRULMJ-AWEZNQCLSA-N 1 2 338.367 1.788 20 30 EDEDLO COC(=O)c1cccnc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000459494943 447687707 /nfs/dbraw/zinc/68/77/07/447687707.db2.gz SOVZAWQRNRULMJ-AWEZNQCLSA-N 1 2 338.367 1.788 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429267169 447737709 /nfs/dbraw/zinc/73/77/09/447737709.db2.gz ZZCDFGSWYUXTQF-KBPBESRZSA-N 1 2 348.422 1.737 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429267169 447737713 /nfs/dbraw/zinc/73/77/13/447737713.db2.gz ZZCDFGSWYUXTQF-KBPBESRZSA-N 1 2 348.422 1.737 20 30 EDEDLO C=CCN1CC[C@H]([NH2+][C@H](C)c2ncc(Br)cn2)C1=O ZINC000431110883 447791946 /nfs/dbraw/zinc/79/19/46/447791946.db2.gz ISMWNBUYPQALQY-KOLCDFICSA-N 1 2 325.210 1.677 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452001473 447799405 /nfs/dbraw/zinc/79/94/05/447799405.db2.gz WOEUMEKNQSAYRC-KEYYUXOJSA-N 1 2 337.468 1.165 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452001473 447799409 /nfs/dbraw/zinc/79/94/09/447799409.db2.gz WOEUMEKNQSAYRC-KEYYUXOJSA-N 1 2 337.468 1.165 20 30 EDEDLO Cc1cc(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)ccc1C#N ZINC000488222913 447843781 /nfs/dbraw/zinc/84/37/81/447843781.db2.gz AUKQYGNEIMNVAS-QGZVFWFLSA-N 1 2 340.471 1.995 20 30 EDEDLO Cc1cc(C[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)ccc1C#N ZINC000488222913 447843782 /nfs/dbraw/zinc/84/37/82/447843782.db2.gz AUKQYGNEIMNVAS-QGZVFWFLSA-N 1 2 340.471 1.995 20 30 EDEDLO Cc1nc(N(C)C)nc(NCCSCc2ccccc2C#N)[nH+]1 ZINC000488366846 447845623 /nfs/dbraw/zinc/84/56/23/447845623.db2.gz MBLCDCDQPZMAGO-UHFFFAOYSA-N 1 2 328.445 2.463 20 30 EDEDLO Cc1nc(NCCSCc2ccccc2C#N)nc(N(C)C)[nH+]1 ZINC000488366846 447845625 /nfs/dbraw/zinc/84/56/25/447845625.db2.gz MBLCDCDQPZMAGO-UHFFFAOYSA-N 1 2 328.445 2.463 20 30 EDEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)CC1 ZINC000490915679 447909711 /nfs/dbraw/zinc/90/97/11/447909711.db2.gz OGAQHYFPYSTDOA-MRXNPFEDSA-N 1 2 345.447 1.011 20 30 EDEDLO COC(=O)[C@H](c1ccsc1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000525290058 447988338 /nfs/dbraw/zinc/98/83/38/447988338.db2.gz VLDVSCPRTSXPDQ-ZDUSSCGKSA-N 1 2 333.417 1.704 20 30 EDEDLO COC(=O)[C@H](c1ccsc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000525290058 447988348 /nfs/dbraw/zinc/98/83/48/447988348.db2.gz VLDVSCPRTSXPDQ-ZDUSSCGKSA-N 1 2 333.417 1.704 20 30 EDEDLO COc1ccccc1/C=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000491416372 448019333 /nfs/dbraw/zinc/01/93/33/448019333.db2.gz MCTLKAULFNWWPA-FPLPWBNLSA-N 1 2 343.427 1.783 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCc2cccc(O)c21 ZINC000576449473 448057188 /nfs/dbraw/zinc/05/71/88/448057188.db2.gz UNDWJMBJLKRORV-MRXNPFEDSA-N 1 2 343.427 1.496 20 30 EDEDLO C[C@H]1CN(c2cccc(-n3cccn3)c2C#N)C[C@H]1[NH+]1CCOCC1 ZINC000515671833 448342853 /nfs/dbraw/zinc/34/28/53/448342853.db2.gz ZQJMFVQAGIPRRR-HNAYVOBHSA-N 1 2 337.427 1.901 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000564578160 448332603 /nfs/dbraw/zinc/33/26/03/448332603.db2.gz VGODCLAYQFOCFL-HNNXBMFYSA-N 1 2 332.795 1.494 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNC(=O)/C=C/c2ccc(OCC#N)cc2)CCO1 ZINC000492984258 448337099 /nfs/dbraw/zinc/33/70/99/448337099.db2.gz OAROULPQOQKVAY-ZGRWHYIRSA-N 1 2 343.427 1.829 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)/C=C/c2ccc(OCC#N)cc2)CCO1 ZINC000492984258 448337104 /nfs/dbraw/zinc/33/71/04/448337104.db2.gz OAROULPQOQKVAY-ZGRWHYIRSA-N 1 2 343.427 1.829 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000572528303 448403028 /nfs/dbraw/zinc/40/30/28/448403028.db2.gz LTAJTMCEYVGRJC-MRXNPFEDSA-N 1 2 329.444 1.824 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000572528303 448403033 /nfs/dbraw/zinc/40/30/33/448403033.db2.gz LTAJTMCEYVGRJC-MRXNPFEDSA-N 1 2 329.444 1.824 20 30 EDEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000566423038 448464923 /nfs/dbraw/zinc/46/49/23/448464923.db2.gz JWZNCZRHCCJPQM-AWEZNQCLSA-N 1 2 337.807 1.138 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000566429518 448467654 /nfs/dbraw/zinc/46/76/54/448467654.db2.gz WIDJEVXKIVLPRP-GFCCVEGCSA-N 1 2 338.433 1.124 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000516878020 448488709 /nfs/dbraw/zinc/48/87/09/448488709.db2.gz UTXNOXDGMJAUAD-CVEARBPZSA-N 1 2 337.464 1.028 20 30 EDEDLO Cc1cc(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)c(C#N)cn1 ZINC000591817745 448497309 /nfs/dbraw/zinc/49/73/09/448497309.db2.gz DZIJAQSJXBLYTR-INIZCTEOSA-N 1 2 341.459 1.785 20 30 EDEDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000578396049 448534299 /nfs/dbraw/zinc/53/42/99/448534299.db2.gz QNQQWPJDQKHYHF-CQSZACIVSA-N 1 2 329.448 1.769 20 30 EDEDLO Cc1cc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)n(CCC#N)n1 ZINC000566870564 448575637 /nfs/dbraw/zinc/57/56/37/448575637.db2.gz YNQQQCBFKHGBAP-UHFFFAOYSA-N 1 2 347.444 1.968 20 30 EDEDLO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000567046935 448605660 /nfs/dbraw/zinc/60/56/60/448605660.db2.gz SMPRDYJMSINTDM-DWQUBVKVSA-N 1 2 328.416 1.855 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@H]21 ZINC000567228739 448642587 /nfs/dbraw/zinc/64/25/87/448642587.db2.gz SVZZGKBNMNYFFX-CABCVRRESA-N 1 2 334.807 1.953 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@H]21 ZINC000567228739 448642593 /nfs/dbraw/zinc/64/25/93/448642593.db2.gz SVZZGKBNMNYFFX-CABCVRRESA-N 1 2 334.807 1.953 20 30 EDEDLO C=CCCCCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000518397653 448674889 /nfs/dbraw/zinc/67/48/89/448674889.db2.gz QADIMMWCWSARFA-MRXNPFEDSA-N 1 2 337.464 1.030 20 30 EDEDLO C[C@@H](c1cccnc1)N1C(=O)C[C@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000541859063 448696847 /nfs/dbraw/zinc/69/68/47/448696847.db2.gz WUPPDLUUVIKXOY-ZFWWWQNUSA-N 1 2 326.400 1.896 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000592144603 448706211 /nfs/dbraw/zinc/70/62/11/448706211.db2.gz CTRSQOJJLSRUNH-SFHVURJKSA-N 1 2 342.399 1.102 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000592144603 448706216 /nfs/dbraw/zinc/70/62/16/448706216.db2.gz CTRSQOJJLSRUNH-SFHVURJKSA-N 1 2 342.399 1.102 20 30 EDEDLO CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592148788 448709054 /nfs/dbraw/zinc/70/90/54/448709054.db2.gz BVLROBVZVXTMAW-KRWDZBQOSA-N 1 2 331.372 1.152 20 30 EDEDLO CCOC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592148788 448709058 /nfs/dbraw/zinc/70/90/58/448709058.db2.gz BVLROBVZVXTMAW-KRWDZBQOSA-N 1 2 331.372 1.152 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000592152505 448714812 /nfs/dbraw/zinc/71/48/12/448714812.db2.gz YJGRHADVLVJERW-GOSISDBHSA-N 1 2 345.447 1.752 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000592152505 448714816 /nfs/dbraw/zinc/71/48/16/448714816.db2.gz YJGRHADVLVJERW-GOSISDBHSA-N 1 2 345.447 1.752 20 30 EDEDLO COc1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cn1 ZINC000573889610 448736797 /nfs/dbraw/zinc/73/67/97/448736797.db2.gz FPILHAPBVTVRRI-UHFFFAOYSA-N 1 2 340.383 1.004 20 30 EDEDLO CC1(C)C[S@](=O)CC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000585816613 448791112 /nfs/dbraw/zinc/79/11/12/448791112.db2.gz YBMADWDVXCABOO-IQMFZBJNSA-N 1 2 336.457 1.335 20 30 EDEDLO CC1(C)C[S@](=O)CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000585816613 448791116 /nfs/dbraw/zinc/79/11/16/448791116.db2.gz YBMADWDVXCABOO-IQMFZBJNSA-N 1 2 336.457 1.335 20 30 EDEDLO N#CCCCCCC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000588165709 448879838 /nfs/dbraw/zinc/87/98/38/448879838.db2.gz JAFLOUBDJBTTRD-UHFFFAOYSA-N 1 2 328.416 1.943 20 30 EDEDLO N#CCCCCCC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000588165709 448879842 /nfs/dbraw/zinc/87/98/42/448879842.db2.gz JAFLOUBDJBTTRD-UHFFFAOYSA-N 1 2 328.416 1.943 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](CNC(=O)NC)C2)cc(OC)c1O ZINC000529639409 448912455 /nfs/dbraw/zinc/91/24/55/448912455.db2.gz BNCYEBQHFNRCNV-HNNXBMFYSA-N 1 2 349.431 1.259 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](CNC(=O)NC)C2)cc(OC)c1O ZINC000529639409 448912459 /nfs/dbraw/zinc/91/24/59/448912459.db2.gz BNCYEBQHFNRCNV-HNNXBMFYSA-N 1 2 349.431 1.259 20 30 EDEDLO N#CCc1cccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000589053687 448962927 /nfs/dbraw/zinc/96/29/27/448962927.db2.gz CHUSZBOLRFCNIH-INIZCTEOSA-N 1 2 349.456 1.238 20 30 EDEDLO N#Cc1cccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000589255183 448996823 /nfs/dbraw/zinc/99/68/23/448996823.db2.gz WFVSRQAZDRZMOZ-QGZVFWFLSA-N 1 2 336.395 1.584 20 30 EDEDLO N#Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000589255183 448996827 /nfs/dbraw/zinc/99/68/27/448996827.db2.gz WFVSRQAZDRZMOZ-QGZVFWFLSA-N 1 2 336.395 1.584 20 30 EDEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000548498899 449052976 /nfs/dbraw/zinc/05/29/76/449052976.db2.gz MQBHVUCKLFPPDN-MRXNPFEDSA-N 1 2 327.384 1.567 20 30 EDEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000548498899 449052979 /nfs/dbraw/zinc/05/29/79/449052979.db2.gz MQBHVUCKLFPPDN-MRXNPFEDSA-N 1 2 327.384 1.567 20 30 EDEDLO C[C@H](CO)C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000593081381 449126072 /nfs/dbraw/zinc/12/60/72/449126072.db2.gz CRAZVVASLIHFQB-CQSZACIVSA-N 1 2 336.457 1.672 20 30 EDEDLO C[C@H](C[NH+]1CCN(c2ccsc2C#N)CC1)CS(C)(=O)=O ZINC000595630803 449089676 /nfs/dbraw/zinc/08/96/76/449089676.db2.gz LCWYAISSSTVNPK-GFCCVEGCSA-N 1 2 327.475 1.422 20 30 EDEDLO C[C@H]1CN(C(=O)C[NH+]2CCN(c3ccsc3C#N)CC2)C[C@H](C)O1 ZINC000595632780 449090362 /nfs/dbraw/zinc/09/03/62/449090362.db2.gz HWLWCGQMXUXMAX-KBPBESRZSA-N 1 2 348.472 1.378 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000548730897 449092310 /nfs/dbraw/zinc/09/23/10/449092310.db2.gz SZKOZZMBOXJEQN-KDOFPFPSSA-N 1 2 334.464 1.374 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000548730897 449092317 /nfs/dbraw/zinc/09/23/17/449092317.db2.gz SZKOZZMBOXJEQN-KDOFPFPSSA-N 1 2 334.464 1.374 20 30 EDEDLO CO[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000595660218 449103120 /nfs/dbraw/zinc/10/31/20/449103120.db2.gz CFSKTHRWJDKWSW-QGZVFWFLSA-N 1 2 349.456 1.714 20 30 EDEDLO CO[C@]1(CO)CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000595660218 449103122 /nfs/dbraw/zinc/10/31/22/449103122.db2.gz CFSKTHRWJDKWSW-QGZVFWFLSA-N 1 2 349.456 1.714 20 30 EDEDLO C[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)c1[nH+]ccn1C ZINC000595845485 449202404 /nfs/dbraw/zinc/20/24/04/449202404.db2.gz NZMWMFYJTBJXBB-AWEZNQCLSA-N 1 2 338.415 1.885 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601887686 449206031 /nfs/dbraw/zinc/20/60/31/449206031.db2.gz HUEHVFMRIXKLID-UHFFFAOYSA-N 1 2 336.399 1.052 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597996617 449181447 /nfs/dbraw/zinc/18/14/47/449181447.db2.gz KIJZDVPQUGJJOE-KFWWJZLASA-N 1 2 331.416 1.551 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597996617 449181449 /nfs/dbraw/zinc/18/14/49/449181449.db2.gz KIJZDVPQUGJJOE-KFWWJZLASA-N 1 2 331.416 1.551 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000611213749 449218951 /nfs/dbraw/zinc/21/89/51/449218951.db2.gz CHNVDANHWDRBAZ-KBXCAEBGSA-N 1 2 335.411 1.924 20 30 EDEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000590552146 449186789 /nfs/dbraw/zinc/18/67/89/449186789.db2.gz HNQPTSFUFNXYLY-UHFFFAOYSA-N 1 2 337.383 1.975 20 30 EDEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000590552146 449186797 /nfs/dbraw/zinc/18/67/97/449186797.db2.gz HNQPTSFUFNXYLY-UHFFFAOYSA-N 1 2 337.383 1.975 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000611213749 449218955 /nfs/dbraw/zinc/21/89/55/449218955.db2.gz CHNVDANHWDRBAZ-KBXCAEBGSA-N 1 2 335.411 1.924 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595866407 449219095 /nfs/dbraw/zinc/21/90/95/449219095.db2.gz GOALQWHDKCPRDQ-OAHLLOKOSA-N 1 2 336.342 1.244 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595828878 449192104 /nfs/dbraw/zinc/19/21/04/449192104.db2.gz MFNCLXHHOVATRS-LBPRGKRZSA-N 1 2 332.429 1.503 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595828878 449192105 /nfs/dbraw/zinc/19/21/05/449192105.db2.gz MFNCLXHHOVATRS-LBPRGKRZSA-N 1 2 332.429 1.503 20 30 EDEDLO CCOC(=O)c1cccc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000600107800 449193466 /nfs/dbraw/zinc/19/34/66/449193466.db2.gz YLYOGDNFDVASRV-UHFFFAOYSA-N 1 2 346.431 1.306 20 30 EDEDLO Cc1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)nn1CCC#N ZINC000611266850 449243728 /nfs/dbraw/zinc/24/37/28/449243728.db2.gz HJSVTXBRUYFXAN-UHFFFAOYSA-N 1 2 327.392 2.171 20 30 EDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000593391294 449259636 /nfs/dbraw/zinc/25/96/36/449259636.db2.gz JHWIVRIJBRWTJG-OAHLLOKOSA-N 1 2 329.400 1.652 20 30 EDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000594012481 449321019 /nfs/dbraw/zinc/32/10/19/449321019.db2.gz FSPSRJMINIXTAN-HOTGVXAUSA-N 1 2 329.444 1.916 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000594017324 449323811 /nfs/dbraw/zinc/32/38/11/449323811.db2.gz DBYJYICKEHNCNL-CYBMUJFWSA-N 1 2 347.293 1.838 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000594017324 449323816 /nfs/dbraw/zinc/32/38/16/449323816.db2.gz DBYJYICKEHNCNL-CYBMUJFWSA-N 1 2 347.293 1.838 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC3(C#N)CCCC3)C2)CC1 ZINC000593427525 449279277 /nfs/dbraw/zinc/27/92/77/449279277.db2.gz NBYVCMQKZBBMEE-MRXNPFEDSA-N 1 2 333.480 1.492 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@](O)(CC#N)C2)cc1 ZINC000602166302 449397546 /nfs/dbraw/zinc/39/75/46/449397546.db2.gz GQSBEUJMWHTADJ-SJLPKXTDSA-N 1 2 329.400 1.147 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@](O)(CC#N)C2)cc1 ZINC000602166302 449397550 /nfs/dbraw/zinc/39/75/50/449397550.db2.gz GQSBEUJMWHTADJ-SJLPKXTDSA-N 1 2 329.400 1.147 20 30 EDEDLO CC[C@@H]1CN(c2cc(C)[nH+]c(N3C[C@H](O)[C@H](CC)C3)c2C#N)C[C@@H]1O ZINC000596179370 449399262 /nfs/dbraw/zinc/39/92/62/449399262.db2.gz PAGZHGOYUSKGTG-KNCCTNLNSA-N 1 2 344.459 1.676 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc3cnccn32)[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598620606 449498151 /nfs/dbraw/zinc/49/81/51/449498151.db2.gz YXEVBKGDLZIQRW-MJBXVCDLSA-N 1 2 344.419 1.187 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc3cnccn32)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598620606 449498153 /nfs/dbraw/zinc/49/81/53/449498153.db2.gz YXEVBKGDLZIQRW-MJBXVCDLSA-N 1 2 344.419 1.187 20 30 EDEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1N1CCOCC1 ZINC000602333154 449522445 /nfs/dbraw/zinc/52/24/45/449522445.db2.gz LXNQXYWFFNKDAF-GOSISDBHSA-N 1 2 330.432 1.405 20 30 EDEDLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCC2(C#N)CC2)C1 ZINC000596587710 449562848 /nfs/dbraw/zinc/56/28/48/449562848.db2.gz WYNITBGPQOSHSA-KRWDZBQOSA-N 1 2 341.459 1.406 20 30 EDEDLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCC2(C#N)CC2)C1 ZINC000596587710 449562852 /nfs/dbraw/zinc/56/28/52/449562852.db2.gz WYNITBGPQOSHSA-KRWDZBQOSA-N 1 2 341.459 1.406 20 30 EDEDLO COc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cn1 ZINC000594659295 449613603 /nfs/dbraw/zinc/61/36/03/449613603.db2.gz BOGAADNZLZNLQR-JSGCOSHPSA-N 1 2 328.372 1.348 20 30 EDEDLO COc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](CC#N)C3)C2=O)cn1 ZINC000594659295 449613611 /nfs/dbraw/zinc/61/36/11/449613611.db2.gz BOGAADNZLZNLQR-JSGCOSHPSA-N 1 2 328.372 1.348 20 30 EDEDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3cccc(C#N)n3)CC2)no1 ZINC000602471564 449618093 /nfs/dbraw/zinc/61/80/93/449618093.db2.gz DUFAVVYHCUYOMQ-UHFFFAOYSA-N 1 2 340.431 1.952 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)ccc2n1C ZINC000612272141 449622399 /nfs/dbraw/zinc/62/23/99/449622399.db2.gz RDPQBWGLNQAMJY-SFHVURJKSA-N 1 2 339.399 1.973 20 30 EDEDLO Cc1cn2cc(NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)ccc2[nH+]1 ZINC000612272067 449622418 /nfs/dbraw/zinc/62/24/18/449622418.db2.gz QOWJYUAHXZUGIB-QGZVFWFLSA-N 1 2 325.372 1.734 20 30 EDEDLO N#Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cnc1C(F)(F)F ZINC000598945710 449664128 /nfs/dbraw/zinc/66/41/28/449664128.db2.gz BJYZQDWYNRWPBZ-NSHDSACASA-N 1 2 335.289 1.913 20 30 EDEDLO N#Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc(C2CC2)n1 ZINC000601100655 449689402 /nfs/dbraw/zinc/68/94/02/449689402.db2.gz YKDFMTDGJFALBD-SFHVURJKSA-N 1 2 349.438 2.539 20 30 EDEDLO N#Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc(C2CC2)n1 ZINC000601100655 449689416 /nfs/dbraw/zinc/68/94/16/449689416.db2.gz YKDFMTDGJFALBD-SFHVURJKSA-N 1 2 349.438 2.539 20 30 EDEDLO N#CCC1(Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000594889072 449796576 /nfs/dbraw/zinc/79/65/76/449796576.db2.gz WJEXUPZJVIKGHA-INIZCTEOSA-N 1 2 338.415 1.940 20 30 EDEDLO N#CCC1(Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000594889072 449796583 /nfs/dbraw/zinc/79/65/83/449796583.db2.gz WJEXUPZJVIKGHA-INIZCTEOSA-N 1 2 338.415 1.940 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)c2ccccc2CC#N)C[C@H]1[NH+]1CCOCC1 ZINC000601367045 449880612 /nfs/dbraw/zinc/88/06/12/449880612.db2.gz KSMYYCLAYCPKST-GOEBONIOSA-N 1 2 349.456 1.094 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000595126281 449886001 /nfs/dbraw/zinc/88/60/01/449886001.db2.gz NZFMAHQVCZQTSC-QWHCGFSZSA-N 1 2 344.415 1.031 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000595126281 449886005 /nfs/dbraw/zinc/88/60/05/449886005.db2.gz NZFMAHQVCZQTSC-QWHCGFSZSA-N 1 2 344.415 1.031 20 30 EDEDLO C=CCCSCCNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000595180057 449926630 /nfs/dbraw/zinc/92/66/30/449926630.db2.gz ZAVAHNXHKUPWAF-CYBMUJFWSA-N 1 2 336.461 1.162 20 30 EDEDLO COCCC[N@H+](CCO)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000614996517 449911182 /nfs/dbraw/zinc/91/11/82/449911182.db2.gz HCNJLZHTCOWGCE-UHFFFAOYSA-N 1 2 328.416 1.883 20 30 EDEDLO COCCC[N@@H+](CCO)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000614996517 449911186 /nfs/dbraw/zinc/91/11/86/449911186.db2.gz HCNJLZHTCOWGCE-UHFFFAOYSA-N 1 2 328.416 1.883 20 30 EDEDLO C=CCCOCC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615099135 449956956 /nfs/dbraw/zinc/95/69/56/449956956.db2.gz VWOJKHSJZMKISB-OAHLLOKOSA-N 1 2 328.478 1.245 20 30 EDEDLO C[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)[C@@H]1CCC[C@H]1C#N ZINC000602973961 449974376 /nfs/dbraw/zinc/97/43/76/449974376.db2.gz IBKMZTZUXHWPGO-RRFJBIMHSA-N 1 2 329.400 1.567 20 30 EDEDLO C[N@@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)[C@@H]1CCC[C@H]1C#N ZINC000602973961 449974377 /nfs/dbraw/zinc/97/43/77/449974377.db2.gz IBKMZTZUXHWPGO-RRFJBIMHSA-N 1 2 329.400 1.567 20 30 EDEDLO CCOC(=O)[C@]1(C)C[N@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000603004283 450000595 /nfs/dbraw/zinc/00/05/95/450000595.db2.gz OHYBWORMSDVQIO-SFHVURJKSA-N 1 2 332.400 1.981 20 30 EDEDLO CCOC(=O)[C@]1(C)C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000603004283 450000600 /nfs/dbraw/zinc/00/06/00/450000600.db2.gz OHYBWORMSDVQIO-SFHVURJKSA-N 1 2 332.400 1.981 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CC1(C#N)CCOCC1 ZINC000597413100 450007212 /nfs/dbraw/zinc/00/72/12/450007212.db2.gz PRDYKUASSHEQJM-UHFFFAOYSA-N 1 2 344.415 1.876 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000595301024 450013320 /nfs/dbraw/zinc/01/33/20/450013320.db2.gz HOTUWSAFQNOJIT-CALCHBBNSA-N 1 2 328.460 1.789 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NC2CCN(CC#N)CC2)c1C ZINC000609341631 450015591 /nfs/dbraw/zinc/01/55/91/450015591.db2.gz XLYRYQBVHZZJKE-UHFFFAOYSA-N 1 2 345.447 1.836 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000609484650 450035181 /nfs/dbraw/zinc/03/51/81/450035181.db2.gz FCAIIEHCBWYBHY-QZTJIDSGSA-N 1 2 326.444 1.958 20 30 EDEDLO Cc1cc(N2CC[C@H]([N@@H+]3CCc4c(CC#N)cccc4C3)C2=O)n(C)n1 ZINC000599679874 450147427 /nfs/dbraw/zinc/14/74/27/450147427.db2.gz YVOQUZLHPQYNGI-SFHVURJKSA-N 1 2 349.438 1.958 20 30 EDEDLO Cc1cc(N2CC[C@H]([N@H+]3CCc4c(CC#N)cccc4C3)C2=O)n(C)n1 ZINC000599679874 450147430 /nfs/dbraw/zinc/14/74/30/450147430.db2.gz YVOQUZLHPQYNGI-SFHVURJKSA-N 1 2 349.438 1.958 20 30 EDEDLO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000610421356 450212617 /nfs/dbraw/zinc/21/26/17/450212617.db2.gz RGVJGRKBGATGBG-INIZCTEOSA-N 1 2 327.363 1.431 20 30 EDEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCSC[C@H]2C#N)C1 ZINC000603304458 450229363 /nfs/dbraw/zinc/22/93/63/450229363.db2.gz UAFUCDKEJODTMY-CYBMUJFWSA-N 1 2 337.470 1.304 20 30 EDEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCSC[C@H]2C#N)C1 ZINC000603304458 450229366 /nfs/dbraw/zinc/22/93/66/450229366.db2.gz UAFUCDKEJODTMY-CYBMUJFWSA-N 1 2 337.470 1.304 20 30 EDEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000610498645 450245472 /nfs/dbraw/zinc/24/54/72/450245472.db2.gz CURASBPOOAEFMM-UHFFFAOYSA-N 1 2 337.383 1.526 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)n1 ZINC000610561804 450261303 /nfs/dbraw/zinc/26/13/03/450261303.db2.gz QTMPNTWFGVBCIA-UHFFFAOYSA-N 1 2 329.751 1.915 20 30 EDEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000618830106 450315898 /nfs/dbraw/zinc/31/58/98/450315898.db2.gz QVWMLQSITMFDCZ-KRWDZBQOSA-N 1 2 340.427 1.710 20 30 EDEDLO C=C[C@@H](C(=O)OC)N1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000619717822 450318339 /nfs/dbraw/zinc/31/83/39/450318339.db2.gz MQXUKFQCEIFDHM-IRXDYDNUSA-N 1 2 343.427 1.137 20 30 EDEDLO C=CC[C@H]1CC[N@@H+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625700737 450482837 /nfs/dbraw/zinc/48/28/37/450482837.db2.gz LVRVWTCWLRRYKC-HOTGVXAUSA-N 1 2 342.505 1.556 20 30 EDEDLO C=CC[C@H]1CC[N@H+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625700737 450482840 /nfs/dbraw/zinc/48/28/40/450482840.db2.gz LVRVWTCWLRRYKC-HOTGVXAUSA-N 1 2 342.505 1.556 20 30 EDEDLO C=CC1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000624938184 451070950 /nfs/dbraw/zinc/07/09/50/451070950.db2.gz WJRQPJYZBPYLLT-GOSISDBHSA-N 1 2 344.459 1.890 20 30 EDEDLO C=CC1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000624938184 451070955 /nfs/dbraw/zinc/07/09/55/451070955.db2.gz WJRQPJYZBPYLLT-GOSISDBHSA-N 1 2 344.459 1.890 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000632346044 451214548 /nfs/dbraw/zinc/21/45/48/451214548.db2.gz CHVNQQDLJWSJRI-UHFFFAOYSA-N 1 2 344.459 1.839 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000632662716 451498564 /nfs/dbraw/zinc/49/85/64/451498564.db2.gz IRGQYSUOQIBYJF-HNNXBMFYSA-N 1 2 337.464 1.028 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)n1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000640920107 451691104 /nfs/dbraw/zinc/69/11/04/451691104.db2.gz MJGOKCBKLMPJMP-OAHLLOKOSA-N 1 2 347.463 1.651 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2ncc(Br)cc2F)nn1 ZINC000641103691 451750918 /nfs/dbraw/zinc/75/09/18/451750918.db2.gz OGSINCZLADIUQH-UHFFFAOYSA-N 1 2 338.184 1.736 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](OC)C2)c(OC)c1 ZINC000639836663 452170175 /nfs/dbraw/zinc/17/01/75/452170175.db2.gz WAMPVUHMFJIDIC-QAPCUYQASA-N 1 2 337.416 1.468 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](OC)C2)c(OC)c1 ZINC000639836663 452170180 /nfs/dbraw/zinc/17/01/80/452170180.db2.gz WAMPVUHMFJIDIC-QAPCUYQASA-N 1 2 337.416 1.468 20 30 EDEDLO C=CCn1c([C@H]2CCO[C@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000647371269 452194508 /nfs/dbraw/zinc/19/45/08/452194508.db2.gz NQZPDYVUARYMKB-GJZGRUSLSA-N 1 2 335.452 1.125 20 30 EDEDLO COc1cc(C(C)=O)cc(OC)c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000647614189 452349216 /nfs/dbraw/zinc/34/92/16/452349216.db2.gz MBJZLCJRTCFAIP-CQSZACIVSA-N 1 2 336.388 1.492 20 30 EDEDLO COc1cc(C(C)=O)cc(OC)c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000647614189 452349227 /nfs/dbraw/zinc/34/92/27/452349227.db2.gz MBJZLCJRTCFAIP-CQSZACIVSA-N 1 2 336.388 1.492 20 30 EDEDLO C=CCCCNC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000664783057 453401161 /nfs/dbraw/zinc/40/11/61/453401161.db2.gz FHJIPRTWYFTOBG-IBGZPJMESA-N 1 2 347.459 1.515 20 30 EDEDLO C=CCCCNC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000664783057 453401165 /nfs/dbraw/zinc/40/11/65/453401165.db2.gz FHJIPRTWYFTOBG-IBGZPJMESA-N 1 2 347.459 1.515 20 30 EDEDLO C=CC[N@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)[C@H](C)COC ZINC000661241970 453772322 /nfs/dbraw/zinc/77/23/22/453772322.db2.gz HPOOPYKUACUNGB-LLVKDONJSA-N 1 2 347.444 1.666 20 30 EDEDLO C=CC[N@@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)[C@H](C)COC ZINC000661241970 453772323 /nfs/dbraw/zinc/77/23/23/453772323.db2.gz HPOOPYKUACUNGB-LLVKDONJSA-N 1 2 347.444 1.666 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1-n1cnc(C#N)n1)[NH+]1CCSCC1 ZINC000368289301 486859811 /nfs/dbraw/zinc/85/98/11/486859811.db2.gz XHOUCPLQCRRGCM-LBPRGKRZSA-N 1 2 342.428 1.515 20 30 EDEDLO COCC#CC[NH+]1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000677817085 487174929 /nfs/dbraw/zinc/17/49/29/487174929.db2.gz GZVSKLUINOXBOU-UHFFFAOYSA-N 1 2 332.400 1.111 20 30 EDEDLO CN1CCC([NH+]2CCC(NC(=O)c3ccc(C#N)c(O)c3)CC2)CC1 ZINC000188400606 523766799 /nfs/dbraw/zinc/76/67/99/523766799.db2.gz GXBZTWAAVNQUKU-UHFFFAOYSA-N 1 2 342.443 1.552 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000124038297 526622784 /nfs/dbraw/zinc/62/27/84/526622784.db2.gz VPVSANPXFVZCEH-CQSZACIVSA-N 1 2 348.422 1.073 20 30 EDEDLO C=CC1CC[NH+]([C@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000111258571 526982970 /nfs/dbraw/zinc/98/29/70/526982970.db2.gz GLCAVMBVYCYTOV-GDBMZVCRSA-N 1 2 342.505 1.699 20 30 EDEDLO C#CCOc1cccc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000108517176 527123019 /nfs/dbraw/zinc/12/30/19/527123019.db2.gz NAWVMMIEXVBLPS-LSDHHAIUSA-N 1 2 331.416 1.929 20 30 EDEDLO CC(C)[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)[NH+]1CCOCC1 ZINC000152720282 529010975 /nfs/dbraw/zinc/01/09/75/529010975.db2.gz KBFSIKUJPUDOPU-HNNXBMFYSA-N 1 2 337.370 1.923 20 30 EDEDLO COc1cc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)ccc1C#N ZINC000333558981 536759693 /nfs/dbraw/zinc/75/96/93/536759693.db2.gz NVFTTYCZHBGIQG-KRWDZBQOSA-N 1 2 334.441 1.968 20 30 EDEDLO COc1cc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)ccc1C#N ZINC000333558981 536759699 /nfs/dbraw/zinc/75/96/99/536759699.db2.gz NVFTTYCZHBGIQG-KRWDZBQOSA-N 1 2 334.441 1.968 20 30 EDEDLO CC(C)C[N@H+](CCC#N)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000740423569 579344528 /nfs/dbraw/zinc/34/45/28/579344528.db2.gz OKNUEOYHJGTGFL-UHFFFAOYSA-N 1 2 348.422 1.906 20 30 EDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000740423569 579344529 /nfs/dbraw/zinc/34/45/29/579344529.db2.gz OKNUEOYHJGTGFL-UHFFFAOYSA-N 1 2 348.422 1.906 20 30 EDEDLO C#CC[N@H+](CC#CC)CC(=O)N(CC)C[C@H]1COc2ccccc2O1 ZINC000743852532 579492372 /nfs/dbraw/zinc/49/23/72/579492372.db2.gz UQGMHGXNPOELDW-KRWDZBQOSA-N 1 2 340.423 1.633 20 30 EDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(CC)C[C@H]1COc2ccccc2O1 ZINC000743852532 579492374 /nfs/dbraw/zinc/49/23/74/579492374.db2.gz UQGMHGXNPOELDW-KRWDZBQOSA-N 1 2 340.423 1.633 20 30 EDEDLO CN(C(=O)C[N@H+](C)CC(=O)NCc1ccco1)C1(C#N)CCCCC1 ZINC000726952349 578499915 /nfs/dbraw/zinc/49/99/15/578499915.db2.gz OXZIYFRANMVOSF-UHFFFAOYSA-N 1 2 346.431 1.512 20 30 EDEDLO CN(C(=O)C[N@@H+](C)CC(=O)NCc1ccco1)C1(C#N)CCCCC1 ZINC000726952349 578499917 /nfs/dbraw/zinc/49/99/17/578499917.db2.gz OXZIYFRANMVOSF-UHFFFAOYSA-N 1 2 346.431 1.512 20 30 EDEDLO Cn1cc[nH+]c1CN=Nc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000727256271 578523711 /nfs/dbraw/zinc/52/37/11/578523711.db2.gz UCDAPKLJAOBITE-UHFFFAOYSA-N 1 2 334.405 1.046 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1ccc(F)cc1O ZINC000727777032 578538684 /nfs/dbraw/zinc/53/86/84/578538684.db2.gz MHCGIHYZGZCYAA-UHFFFAOYSA-N 1 2 340.424 1.052 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000728802779 578552227 /nfs/dbraw/zinc/55/22/27/578552227.db2.gz YJARPKZZOQWLOU-GOSISDBHSA-N 1 2 335.407 1.694 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000728802779 578552228 /nfs/dbraw/zinc/55/22/28/578552228.db2.gz YJARPKZZOQWLOU-GOSISDBHSA-N 1 2 335.407 1.694 20 30 EDEDLO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000728933257 578554630 /nfs/dbraw/zinc/55/46/30/578554630.db2.gz UWJBSVQGUZLDLI-ZDUSSCGKSA-N 1 2 336.386 1.673 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000732051638 578688698 /nfs/dbraw/zinc/68/86/98/578688698.db2.gz XMCAXNGIOAONDP-HNNXBMFYSA-N 1 2 349.456 1.281 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000732051638 578688699 /nfs/dbraw/zinc/68/86/99/578688699.db2.gz XMCAXNGIOAONDP-HNNXBMFYSA-N 1 2 349.456 1.281 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OCC(=O)N(C)C)c1 ZINC000732059266 578689309 /nfs/dbraw/zinc/68/93/09/578689309.db2.gz ZBGMQAHDUKFYKY-INIZCTEOSA-N 1 2 329.400 1.190 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OCC(=O)N(C)C)c1 ZINC000732059266 578689310 /nfs/dbraw/zinc/68/93/10/578689310.db2.gz ZBGMQAHDUKFYKY-INIZCTEOSA-N 1 2 329.400 1.190 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC000733148908 578744799 /nfs/dbraw/zinc/74/47/99/578744799.db2.gz NUSNPQXJOQBRAH-MRXNPFEDSA-N 1 2 335.492 1.733 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC000733148908 578744800 /nfs/dbraw/zinc/74/48/00/578744800.db2.gz NUSNPQXJOQBRAH-MRXNPFEDSA-N 1 2 335.492 1.733 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(C)nn(C(C)C)c2C)CC1 ZINC000734496505 578819078 /nfs/dbraw/zinc/81/90/78/578819078.db2.gz ZULCIQTWMYSGQK-UHFFFAOYSA-N 1 2 338.477 1.410 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735425856 578883474 /nfs/dbraw/zinc/88/34/74/578883474.db2.gz IUZKSZPJKHRKCF-CYBMUJFWSA-N 1 2 333.417 1.042 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735425856 578883475 /nfs/dbraw/zinc/88/34/75/578883475.db2.gz IUZKSZPJKHRKCF-CYBMUJFWSA-N 1 2 333.417 1.042 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000761036192 580045067 /nfs/dbraw/zinc/04/50/67/580045067.db2.gz BVZGUZNLJBQTNV-UHFFFAOYSA-N 1 2 335.473 1.395 20 30 EDEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCCCNC1=O ZINC000744393881 579509289 /nfs/dbraw/zinc/50/92/89/579509289.db2.gz UWVBQVQIILJYPP-CQSZACIVSA-N 1 2 325.372 1.709 20 30 EDEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCCCNC1=O ZINC000744393881 579509291 /nfs/dbraw/zinc/50/92/91/579509291.db2.gz UWVBQVQIILJYPP-CQSZACIVSA-N 1 2 325.372 1.709 20 30 EDEDLO COc1[nH+]c(N)nc(N2CCCC2)c1C=NOCCC(F)(F)F ZINC000777455513 580441947 /nfs/dbraw/zinc/44/19/47/580441947.db2.gz GCDADJWFEJRRAQ-UHFFFAOYSA-N 1 2 333.314 1.971 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cn2nc3ccccn3c2=S)CC1 ZINC000747796023 579658543 /nfs/dbraw/zinc/65/85/43/579658543.db2.gz JNDDBLSCEGWXIV-UHFFFAOYSA-N 1 2 329.429 1.284 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)Oc3cc(C)ccc32)CC1 ZINC000748829380 579702897 /nfs/dbraw/zinc/70/28/97/579702897.db2.gz VVGFBIZMYYBQBG-INIZCTEOSA-N 1 2 327.428 1.360 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000777808649 580451022 /nfs/dbraw/zinc/45/10/22/580451022.db2.gz OIECIRVTNHTWNB-OAHLLOKOSA-N 1 2 329.448 1.781 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000777808649 580451023 /nfs/dbraw/zinc/45/10/23/580451023.db2.gz OIECIRVTNHTWNB-OAHLLOKOSA-N 1 2 329.448 1.781 20 30 EDEDLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O ZINC000751669712 579816619 /nfs/dbraw/zinc/81/66/19/579816619.db2.gz ZEIOUPUBEXOISF-OLZOCXBDSA-N 1 2 333.413 1.753 20 30 EDEDLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O ZINC000751669712 579816620 /nfs/dbraw/zinc/81/66/20/579816620.db2.gz ZEIOUPUBEXOISF-OLZOCXBDSA-N 1 2 333.413 1.753 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000752494972 579860394 /nfs/dbraw/zinc/86/03/94/579860394.db2.gz BBNUEOCEMJGAHT-ZBFHGGJFSA-N 1 2 338.411 1.935 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000752494972 579860395 /nfs/dbraw/zinc/86/03/95/579860395.db2.gz BBNUEOCEMJGAHT-ZBFHGGJFSA-N 1 2 338.411 1.935 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2C(=O)NCCC)CC1 ZINC000754302431 579900901 /nfs/dbraw/zinc/90/09/01/579900901.db2.gz IPUGQOPAJMWVEG-UHFFFAOYSA-N 1 2 342.443 1.016 20 30 EDEDLO COc1cccc([C@]2(C)NC(=O)N(N=Cc3c[nH+]cn3C)C2=O)c1 ZINC000755568422 579929694 /nfs/dbraw/zinc/92/96/94/579929694.db2.gz ALVSJFAXDUIPTC-INIZCTEOSA-N 1 2 327.344 1.230 20 30 EDEDLO COc1ccc(C2N=NC(=S)N2N=Cc2c[nH+]cn2C)c(OC)c1 ZINC000755598444 579930554 /nfs/dbraw/zinc/93/05/54/579930554.db2.gz IQPKFVXVCDFCBW-UHFFFAOYSA-N 1 2 344.400 1.867 20 30 EDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ccc2c(c1)CC(=O)N2 ZINC000761854285 580062569 /nfs/dbraw/zinc/06/25/69/580062569.db2.gz CHSAJUZFLSIJFL-UHFFFAOYSA-N 1 2 333.355 1.993 20 30 EDEDLO Cn1c2ccc(CN=Nc3ccc(-n4cc[nH+]c4)nn3)cc2oc1=O ZINC000761858360 580062672 /nfs/dbraw/zinc/06/26/72/580062672.db2.gz VURUONYZJQESKC-UHFFFAOYSA-N 1 2 335.327 1.553 20 30 EDEDLO COc1nccnc1N=NCc1c(-n2cc[nH+]c2)nc2ccccn21 ZINC000763407233 580099645 /nfs/dbraw/zinc/09/96/45/580099645.db2.gz FOWXEYCHNHLAKI-UHFFFAOYSA-N 1 2 334.343 1.765 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H](F)Cc1ccccc1 ZINC000778251250 580459991 /nfs/dbraw/zinc/45/99/91/580459991.db2.gz CKBWAAFUWJDYPE-QGZVFWFLSA-N 1 2 333.407 1.642 20 30 EDEDLO C[C@H]1CC(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)=NO1 ZINC000765375140 580140701 /nfs/dbraw/zinc/14/07/01/580140701.db2.gz FTFKBNZDSBSHEO-LBPRGKRZSA-N 1 2 341.371 1.764 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc(F)c2C#N)C[C@@H]1C ZINC000765740335 580150348 /nfs/dbraw/zinc/15/03/48/580150348.db2.gz VXCKBXBULMNJON-NWDGAFQWSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc(F)c2C#N)C[C@@H]1C ZINC000765740335 580150349 /nfs/dbraw/zinc/15/03/49/580150349.db2.gz VXCKBXBULMNJON-NWDGAFQWSA-N 1 2 325.409 1.801 20 30 EDEDLO C#CCCCSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000766288246 580163837 /nfs/dbraw/zinc/16/38/37/580163837.db2.gz QBCPVUFMRWDHLI-UHFFFAOYSA-N 1 2 339.486 1.523 20 30 EDEDLO N#Cc1c2c(cn(C[NH+]3CCC(NC(=O)C4CC4)CC3)c1=O)CCC2 ZINC000766611751 580170131 /nfs/dbraw/zinc/17/01/31/580170131.db2.gz IUCUTWDLCLZLQU-UHFFFAOYSA-N 1 2 340.427 1.157 20 30 EDEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000768199692 580208684 /nfs/dbraw/zinc/20/86/84/580208684.db2.gz JEPFKBKIQSHOBH-HNNXBMFYSA-N 1 2 330.432 1.183 20 30 EDEDLO C[C@@H](C#N)Oc1ccc(CN2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC000768199692 580208685 /nfs/dbraw/zinc/20/86/85/580208685.db2.gz JEPFKBKIQSHOBH-HNNXBMFYSA-N 1 2 330.432 1.183 20 30 EDEDLO CN(C)c1ccc(C=[NH+]Nc2ccccc2S(N)(=O)=O)cc1F ZINC000773094169 580326839 /nfs/dbraw/zinc/32/68/39/580326839.db2.gz KDMZFERELQEWHZ-UHFFFAOYSA-N 1 2 336.392 1.985 20 30 EDEDLO C#C[C@@H]([NH2+]CC(=O)Nc1nnc(CCCCC)s1)[C@H]1CCCO1 ZINC000775793620 580400842 /nfs/dbraw/zinc/40/08/42/580400842.db2.gz VZNNLJDTKYYPMN-CHWSQXEVSA-N 1 2 336.461 1.980 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)[C@H]1CCCO1 ZINC000775801436 580401421 /nfs/dbraw/zinc/40/14/21/580401421.db2.gz XXYKRFHFIZLKOV-QWHCGFSZSA-N 1 2 327.340 1.736 20 30 EDEDLO Cc1cc2c(c(Br)c1)NC(=O)C2=NNC1=[NH+]C[C@H](C)N1 ZINC000779805774 580498011 /nfs/dbraw/zinc/49/80/11/580498011.db2.gz RNAYRIWYRGVGCE-ZETCQYMHSA-N 1 2 336.193 1.351 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000780091877 580512508 /nfs/dbraw/zinc/51/25/08/580512508.db2.gz KQIPZGZNZOKAFQ-OCCSQVGLSA-N 1 2 333.388 1.233 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000780091042 580512530 /nfs/dbraw/zinc/51/25/30/580512530.db2.gz DEVHNEKOHZQQSV-SJLPKXTDSA-N 1 2 331.416 1.887 20 30 EDEDLO N#Cc1ccc([C@@H](O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000780861795 580535326 /nfs/dbraw/zinc/53/53/26/580535326.db2.gz UQEIOKAMRBPWEB-QGZVFWFLSA-N 1 2 341.436 1.998 20 30 EDEDLO COc1c(C)c[nH+]c(CNC(=O)[C@H](O)c2ccc(C#N)cc2)c1C ZINC000780922930 580537708 /nfs/dbraw/zinc/53/77/08/580537708.db2.gz ZOUNTECSGXOLNY-MRXNPFEDSA-N 1 2 325.368 1.929 20 30 EDEDLO CC(C)(C#N)CC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000785077370 580635175 /nfs/dbraw/zinc/63/51/75/580635175.db2.gz BDCMYPDDBWSNPF-UHFFFAOYSA-N 1 2 349.456 1.875 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000785978846 580657193 /nfs/dbraw/zinc/65/71/93/580657193.db2.gz JGNWDDXBSSCRIV-GFCCVEGCSA-N 1 2 342.848 1.605 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000785978846 580657194 /nfs/dbraw/zinc/65/71/94/580657194.db2.gz JGNWDDXBSSCRIV-GFCCVEGCSA-N 1 2 342.848 1.605 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[NH+](CCN2CC[C@@](F)(C#N)C2)CC1 ZINC000794565243 580897990 /nfs/dbraw/zinc/89/79/90/580897990.db2.gz AVAKYUKQCXEKQU-MRXNPFEDSA-N 1 2 326.416 1.477 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000798414421 580996772 /nfs/dbraw/zinc/99/67/72/580996772.db2.gz MUQKRPNVJMWPLK-WFASDCNBSA-N 1 2 339.386 1.641 20 30 EDEDLO CCCCCCCS(=O)(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000799769461 581036329 /nfs/dbraw/zinc/03/63/29/581036329.db2.gz ZEULOQYSKLJZHR-UHFFFAOYSA-N 1 2 342.509 1.838 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)cn1 ZINC000801288860 581071450 /nfs/dbraw/zinc/07/14/50/581071450.db2.gz OBUYRWKSISUTBL-CQSZACIVSA-N 1 2 336.399 1.061 20 30 EDEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](C(F)F)C2)cc1 ZINC000801559732 581079809 /nfs/dbraw/zinc/07/98/09/581079809.db2.gz KZKXEKIQYBCFLI-UKRRQHHQSA-N 1 2 326.343 1.458 20 30 EDEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](C(F)F)C2)cc1 ZINC000801559732 581079810 /nfs/dbraw/zinc/07/98/10/581079810.db2.gz KZKXEKIQYBCFLI-UKRRQHHQSA-N 1 2 326.343 1.458 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000801916829 581087895 /nfs/dbraw/zinc/08/78/95/581087895.db2.gz GMCIEAQMHDICHU-CQSZACIVSA-N 1 2 326.400 1.854 20 30 EDEDLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801922852 581088112 /nfs/dbraw/zinc/08/81/12/581088112.db2.gz QJVIAGPABXFGLH-SJORKVTESA-N 1 2 345.443 1.835 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccn(-c2cc(F)cc(F)c2)n1 ZINC000890888385 590831635 /nfs/dbraw/zinc/83/16/35/590831635.db2.gz ZLVVVZQKBLGYEL-MRXNPFEDSA-N 1 2 333.342 1.724 20 30 EDEDLO CON=Cc1ccc(C(=O)O[C@H]2C[N@H+](C)[C@@](C)(C(=O)OC)C2)cc1 ZINC000893565257 590964142 /nfs/dbraw/zinc/96/41/42/590964142.db2.gz DUDBZFNCOVRPAD-RHSMWYFYSA-N 1 2 334.372 1.460 20 30 EDEDLO CON=Cc1ccc(C(=O)O[C@H]2C[N@@H+](C)[C@@](C)(C(=O)OC)C2)cc1 ZINC000893565257 590964146 /nfs/dbraw/zinc/96/41/46/590964146.db2.gz DUDBZFNCOVRPAD-RHSMWYFYSA-N 1 2 334.372 1.460 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Cl)C1 ZINC000891607447 591148174 /nfs/dbraw/zinc/14/81/74/591148174.db2.gz TXZKLPRPBPYHQH-LBPRGKRZSA-N 1 2 337.782 1.631 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Cl)C1 ZINC000891607447 591148176 /nfs/dbraw/zinc/14/81/76/591148176.db2.gz TXZKLPRPBPYHQH-LBPRGKRZSA-N 1 2 337.782 1.631 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc3cnccc32)C1 ZINC000891608575 591148563 /nfs/dbraw/zinc/14/85/63/591148563.db2.gz ZUWVEQOAIJCDAD-HNNXBMFYSA-N 1 2 336.395 1.387 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc3cnccc32)C1 ZINC000891608575 591148567 /nfs/dbraw/zinc/14/85/67/591148567.db2.gz ZUWVEQOAIJCDAD-HNNXBMFYSA-N 1 2 336.395 1.387 20 30 EDEDLO C#CC[NH+]1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000891678701 591180968 /nfs/dbraw/zinc/18/09/68/591180968.db2.gz MPNVNZVVYYMVMD-UHFFFAOYSA-N 1 2 333.399 1.025 20 30 EDEDLO CN(C)c1cc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)nc[nH+]1 ZINC000891769193 591218005 /nfs/dbraw/zinc/21/80/05/591218005.db2.gz HTIMMKZJBXXXBU-UHFFFAOYSA-N 1 2 339.403 1.606 20 30 EDEDLO CN(C)c1cc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)[nH+]cn1 ZINC000891769193 591218009 /nfs/dbraw/zinc/21/80/09/591218009.db2.gz HTIMMKZJBXXXBU-UHFFFAOYSA-N 1 2 339.403 1.606 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2noc(-c3ccc(F)cc3)n2)CC1 ZINC000895886034 591297120 /nfs/dbraw/zinc/29/71/20/591297120.db2.gz RUXVDVOAZKVVKO-UHFFFAOYSA-N 1 2 328.347 1.657 20 30 EDEDLO C=C[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000898735422 591499562 /nfs/dbraw/zinc/49/95/62/591499562.db2.gz DCVAPTIONFDROY-BXUZGUMPSA-N 1 2 336.342 1.634 20 30 EDEDLO COC(=O)c1c(C[N@@H+]2CC[C@@](O)(CC#N)C2)c2cc(F)ccc2n1C ZINC000895080010 591571817 /nfs/dbraw/zinc/57/18/17/591571817.db2.gz YUZXURDQNQNVTL-SFHVURJKSA-N 1 2 345.374 1.954 20 30 EDEDLO COC(=O)c1c(C[N@H+]2CC[C@@](O)(CC#N)C2)c2cc(F)ccc2n1C ZINC000895080010 591571818 /nfs/dbraw/zinc/57/18/18/591571818.db2.gz YUZXURDQNQNVTL-SFHVURJKSA-N 1 2 345.374 1.954 20 30 EDEDLO Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]Cc1nc(C#N)cs1 ZINC000897625346 591594855 /nfs/dbraw/zinc/59/48/55/591594855.db2.gz AMXZJCBMKKKHLK-UHFFFAOYSA-N 1 2 333.417 1.993 20 30 EDEDLO N#Cc1csc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)n1 ZINC000896929397 591686120 /nfs/dbraw/zinc/68/61/20/591686120.db2.gz CPRPOWVXEKPRPJ-NSHDSACASA-N 1 2 330.417 1.626 20 30 EDEDLO N#Cc1csc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)n1 ZINC000896929397 591686121 /nfs/dbraw/zinc/68/61/21/591686121.db2.gz CPRPOWVXEKPRPJ-NSHDSACASA-N 1 2 330.417 1.626 20 30 EDEDLO Cc1c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cnn1CCC#N ZINC000897875530 591702452 /nfs/dbraw/zinc/70/24/52/591702452.db2.gz FGXRYKOCTIDCIT-HNNXBMFYSA-N 1 2 331.420 1.042 20 30 EDEDLO C[N@@H+]1CCOC[C@]1(CO)CNc1c(C#N)cnc2c(Cl)cccc21 ZINC000895613210 591825144 /nfs/dbraw/zinc/82/51/44/591825144.db2.gz XABAJNPDGJVCOH-QGZVFWFLSA-N 1 2 346.818 1.865 20 30 EDEDLO C[N@H+]1CCOC[C@]1(CO)CNc1c(C#N)cnc2c(Cl)cccc21 ZINC000895613210 591825145 /nfs/dbraw/zinc/82/51/45/591825145.db2.gz XABAJNPDGJVCOH-QGZVFWFLSA-N 1 2 346.818 1.865 20 30 EDEDLO N#CCCn1cc(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c(-c2ccncc2)n1 ZINC000898187282 591827847 /nfs/dbraw/zinc/82/78/47/591827847.db2.gz IYVDKAQHVLTZNU-HZPDHXFCSA-N 1 2 329.379 1.763 20 30 EDEDLO N#CCCn1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c(-c2ccncc2)n1 ZINC000898187282 591827849 /nfs/dbraw/zinc/82/78/49/591827849.db2.gz IYVDKAQHVLTZNU-HZPDHXFCSA-N 1 2 329.379 1.763 20 30 EDEDLO NC(=NOC[C@@H]1C[C@@]12CCOC2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902227087 591949895 /nfs/dbraw/zinc/94/98/95/591949895.db2.gz VJRZQFBKQKSMQG-PKOBYXMFSA-N 1 2 345.443 1.582 20 30 EDEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000901036122 592206537 /nfs/dbraw/zinc/20/65/37/592206537.db2.gz QFUCZFQDRWZTTQ-JTGQJZMRSA-N 1 2 328.412 1.667 20 30 EDEDLO Cc1cc(C#N)cc(C)c1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000905421420 592526004 /nfs/dbraw/zinc/52/60/04/592526004.db2.gz BNANOZXWLIQIJL-UHFFFAOYSA-N 1 2 345.472 1.305 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000907155179 592540278 /nfs/dbraw/zinc/54/02/78/592540278.db2.gz WZQWKSZLGUWVJT-QGZVFWFLSA-N 1 2 348.468 1.399 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000907155179 592540279 /nfs/dbraw/zinc/54/02/79/592540279.db2.gz WZQWKSZLGUWVJT-QGZVFWFLSA-N 1 2 348.468 1.399 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000907185602 592550069 /nfs/dbraw/zinc/55/00/69/592550069.db2.gz GSEYHJIPRKVGNS-ZBFHGGJFSA-N 1 2 334.441 1.152 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)CNc3cccc[nH+]3)C2=O)cc1 ZINC000907269193 592566563 /nfs/dbraw/zinc/56/65/63/592566563.db2.gz HSMOKZYWZLDFHU-INIZCTEOSA-N 1 2 349.394 1.677 20 30 EDEDLO C=CC[C@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OC ZINC000905778778 592636625 /nfs/dbraw/zinc/63/66/25/592636625.db2.gz SJDXBIFCJOSSMR-DOMZBBRYSA-N 1 2 325.430 1.901 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000907452305 592662746 /nfs/dbraw/zinc/66/27/46/592662746.db2.gz LLAQHUAWHDVTPL-KBOKABMXSA-N 1 2 343.471 1.876 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CCc3c([nH+]cn3CC)C2)C1 ZINC000910893459 592901257 /nfs/dbraw/zinc/90/12/57/592901257.db2.gz XXGCHEYLKVRIGI-AWEZNQCLSA-N 1 2 328.416 1.050 20 30 EDEDLO C/C(=C\C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C[NH+]1CCOCC1 ZINC000911872856 593028744 /nfs/dbraw/zinc/02/87/44/593028744.db2.gz YOKABZAMEQMWJA-KAPURRDVSA-N 1 2 343.427 1.329 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888411421 593053228 /nfs/dbraw/zinc/05/32/28/593053228.db2.gz YSILMGUYBRKCPH-UHFFFAOYSA-N 1 2 329.813 1.464 20 30 EDEDLO C#CCN(C(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1)C1CSC1 ZINC000912372410 593091000 /nfs/dbraw/zinc/09/10/00/593091000.db2.gz QLEPYUKYGZUQNE-ZDUSSCGKSA-N 1 2 335.429 1.086 20 30 EDEDLO C#CCN(C(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1)C1CSC1 ZINC000912372410 593091001 /nfs/dbraw/zinc/09/10/01/593091001.db2.gz QLEPYUKYGZUQNE-ZDUSSCGKSA-N 1 2 335.429 1.086 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000838191973 593139375 /nfs/dbraw/zinc/13/93/75/593139375.db2.gz PJRRHGQWOTXVDX-MRXNPFEDSA-N 1 2 343.427 1.708 20 30 EDEDLO C#CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC ZINC000839169618 593270039 /nfs/dbraw/zinc/27/00/39/593270039.db2.gz UIPAVQGFCKZNKM-INIZCTEOSA-N 1 2 331.372 1.718 20 30 EDEDLO C=CC[N@@H+](CCc1ccccc1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000839976041 593270683 /nfs/dbraw/zinc/27/06/83/593270683.db2.gz GSXHKJYIJPEDAE-SFHVURJKSA-N 1 2 344.455 1.675 20 30 EDEDLO C=CC[N@H+](CCc1ccccc1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000839976041 593270684 /nfs/dbraw/zinc/27/06/84/593270684.db2.gz GSXHKJYIJPEDAE-SFHVURJKSA-N 1 2 344.455 1.675 20 30 EDEDLO N#Cc1cc(F)cc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000867005628 593271855 /nfs/dbraw/zinc/27/18/55/593271855.db2.gz JDYCTJZETUNRSL-AWEZNQCLSA-N 1 2 346.387 1.650 20 30 EDEDLO CCOCC[NH+]1CC(OC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000802775563 593278134 /nfs/dbraw/zinc/27/81/34/593278134.db2.gz URPJODBZICRYEN-SFHVURJKSA-N 1 2 343.427 1.791 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(C(=O)OC)n(C)c2)c1 ZINC000809548893 593344881 /nfs/dbraw/zinc/34/48/81/593344881.db2.gz AVQYLUJOOUXGKT-UHFFFAOYSA-N 1 2 339.395 1.864 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(C(=O)OC)n(C)c2)c1 ZINC000809548893 593344882 /nfs/dbraw/zinc/34/48/82/593344882.db2.gz AVQYLUJOOUXGKT-UHFFFAOYSA-N 1 2 339.395 1.864 20 30 EDEDLO O=C(NCC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)C1N=CC=CC1=O ZINC000813859855 593558652 /nfs/dbraw/zinc/55/86/52/593558652.db2.gz MBNXTUBCLYKRRG-XEVXXXDWSA-N 1 2 344.419 1.542 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2CCC(OC[C@@H]3CCCO3)CC2)CC1 ZINC000815594814 593643667 /nfs/dbraw/zinc/64/36/67/593643667.db2.gz YOKPMIITDKPODU-ABHNRTSZSA-N 1 2 334.460 1.518 20 30 EDEDLO Cc1cc(NCC[C@@](O)(c2nccn2C)C(F)(F)F)c(C#N)c[nH+]1 ZINC000819909473 593776164 /nfs/dbraw/zinc/77/61/64/593776164.db2.gz SUDLIHUSHDATSH-CQSZACIVSA-N 1 2 339.321 1.669 20 30 EDEDLO C#C[C@@H](C)NC(=O)N(C)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000820435236 593819007 /nfs/dbraw/zinc/81/90/07/593819007.db2.gz HBPXRFOLQUTHCP-CQSZACIVSA-N 1 2 338.452 1.202 20 30 EDEDLO C#C[C@H](NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000820596276 593840545 /nfs/dbraw/zinc/84/05/45/593840545.db2.gz XBENXJQWBWBGAI-KRWDZBQOSA-N 1 2 335.411 1.991 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC(CS(N)(=O)=O)CC1 ZINC000820658491 593855833 /nfs/dbraw/zinc/85/58/33/593855833.db2.gz OUVVGGPZWPRYJA-UHFFFAOYSA-N 1 2 337.445 1.379 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000821328826 594018530 /nfs/dbraw/zinc/01/85/30/594018530.db2.gz PTZHKKKIYPDMFE-IXDOHACOSA-N 1 2 327.384 1.182 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000821328826 594018531 /nfs/dbraw/zinc/01/85/31/594018531.db2.gz PTZHKKKIYPDMFE-IXDOHACOSA-N 1 2 327.384 1.182 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826387484 594454892 /nfs/dbraw/zinc/45/48/92/594454892.db2.gz XJDLATSBAXENLC-UHFFFAOYSA-N 1 2 336.359 1.049 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)S1 ZINC000828745755 594493447 /nfs/dbraw/zinc/49/34/47/594493447.db2.gz RPXVCZDIRBWBAN-CYBMUJFWSA-N 1 2 336.461 1.332 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000826551118 594523338 /nfs/dbraw/zinc/52/33/38/594523338.db2.gz YKMDFZNDQHJGQZ-MRXNPFEDSA-N 1 2 331.460 1.241 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000826551118 594523339 /nfs/dbraw/zinc/52/33/39/594523339.db2.gz YKMDFZNDQHJGQZ-MRXNPFEDSA-N 1 2 331.460 1.241 20 30 EDEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000829476411 594622222 /nfs/dbraw/zinc/62/22/22/594622222.db2.gz FCHUVECPCZSCTR-LBPRGKRZSA-N 1 2 333.363 1.407 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ncc(Br)s1 ZINC000829544906 594636079 /nfs/dbraw/zinc/63/60/79/594636079.db2.gz FQXNVWIYIAGDPQ-VIFPVBQESA-N 1 2 328.235 1.619 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ncc(Br)s1 ZINC000829544906 594636081 /nfs/dbraw/zinc/63/60/81/594636081.db2.gz FQXNVWIYIAGDPQ-VIFPVBQESA-N 1 2 328.235 1.619 20 30 EDEDLO CNC(=O)C[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000840704784 594811983 /nfs/dbraw/zinc/81/19/83/594811983.db2.gz QCOVILYXYAXSQF-LLVKDONJSA-N 1 2 341.415 1.171 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000836212319 594939117 /nfs/dbraw/zinc/93/91/17/594939117.db2.gz ZSHIUCRAXWGRQH-CABCVRRESA-N 1 2 327.388 1.800 20 30 EDEDLO CC#CC[C@@H](CO)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000843266025 595057890 /nfs/dbraw/zinc/05/78/90/595057890.db2.gz IZECPPHADNKUIO-ZDUSSCGKSA-N 1 2 338.411 1.420 20 30 EDEDLO C#CC[C@@H]1NC(=O)N([C@H](c2[nH+]ccn2C)c2ccccc2OC)C1=O ZINC000843304732 595068434 /nfs/dbraw/zinc/06/84/34/595068434.db2.gz AUHLRCMMXQEEPO-ZFWWWQNUSA-N 1 2 338.367 1.462 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000845830004 595076622 /nfs/dbraw/zinc/07/66/22/595076622.db2.gz GUXHBYNTHQFGEQ-UHFFFAOYSA-N 1 2 326.849 1.811 20 30 EDEDLO N#Cc1cccc(OCCCO[NH+]=C(N)COC[C@H]2CCOC2)c1 ZINC000842656397 595160293 /nfs/dbraw/zinc/16/02/93/595160293.db2.gz FIOJYNPMIHLHRR-HNNXBMFYSA-N 1 2 333.388 1.879 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000834589742 595169435 /nfs/dbraw/zinc/16/94/35/595169435.db2.gz TUTJWHYOHAKNNN-HNNXBMFYSA-N 1 2 342.443 1.140 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NCc2cn3ccc(C)cc3[nH+]2)C1 ZINC000834618717 595176218 /nfs/dbraw/zinc/17/62/18/595176218.db2.gz BQEGIGLHLUXEKW-HNNXBMFYSA-N 1 2 338.411 1.521 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2c(C)n(C)c3ccc(OC)cc32)CC1 ZINC000843798377 595188722 /nfs/dbraw/zinc/18/87/22/595188722.db2.gz WQFOTIVHWBECFA-UHFFFAOYSA-N 1 2 325.412 1.886 20 30 EDEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846332527 595208668 /nfs/dbraw/zinc/20/86/68/595208668.db2.gz ZOZLJYDJIXGEIE-KRWDZBQOSA-N 1 2 338.411 1.826 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H](CO)CCF)CC1=O ZINC000844271585 595314907 /nfs/dbraw/zinc/31/49/07/595314907.db2.gz YZMOPFWNCCVHGP-NSHDSACASA-N 1 2 332.379 1.367 20 30 EDEDLO CN1c2ccc(C[NH+]3CCN(C(=O)CC#N)CC3)cc2CCC1=O ZINC000846959613 595343306 /nfs/dbraw/zinc/34/33/06/595343306.db2.gz WZYIJKLXMYBLKX-UHFFFAOYSA-N 1 2 326.400 1.153 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000847027677 595352763 /nfs/dbraw/zinc/35/27/63/595352763.db2.gz CKCHWAZFDGOBQX-NSHDSACASA-N 1 2 331.441 1.619 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000847027677 595352765 /nfs/dbraw/zinc/35/27/65/595352765.db2.gz CKCHWAZFDGOBQX-NSHDSACASA-N 1 2 331.441 1.619 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844527282 595355091 /nfs/dbraw/zinc/35/50/91/595355091.db2.gz ODZPGDJKJFMETR-OAHLLOKOSA-N 1 2 349.347 1.396 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000848493099 595395754 /nfs/dbraw/zinc/39/57/54/595395754.db2.gz JHDUDMSWQXHTQH-FZKQIMNGSA-N 1 2 333.432 1.557 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000848493099 595395756 /nfs/dbraw/zinc/39/57/56/595395756.db2.gz JHDUDMSWQXHTQH-FZKQIMNGSA-N 1 2 333.432 1.557 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)CC1 ZINC000112921127 595570370 /nfs/dbraw/zinc/57/03/70/595570370.db2.gz WBZXODVHYIBMOH-PBHICJAKSA-N 1 2 325.412 1.672 20 30 EDEDLO C#Cc1cccnc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000853125018 595672946 /nfs/dbraw/zinc/67/29/46/595672946.db2.gz XERVNVDCJUHNIA-UHFFFAOYSA-N 1 2 334.423 1.501 20 30 EDEDLO C#Cc1cccnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000853136974 595675801 /nfs/dbraw/zinc/67/58/01/595675801.db2.gz DFCXXHXYIYFYJZ-MRXNPFEDSA-N 1 2 326.444 1.586 20 30 EDEDLO COC(=O)Cc1cc[nH+]c(N(C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000853711382 595860936 /nfs/dbraw/zinc/86/09/36/595860936.db2.gz STVNBACNZSVVLX-MRXNPFEDSA-N 1 2 325.368 1.839 20 30 EDEDLO C#CC[C@H](COC)Nc1nc(N[C@@H](CC#C)COC)[nH+]c(C)c1F ZINC000858860857 595908290 /nfs/dbraw/zinc/90/82/90/595908290.db2.gz VGXVXLPDWUKGPT-KGLIPLIRSA-N 1 2 334.395 1.825 20 30 EDEDLO C#Cc1cccnc1NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000853911220 595919248 /nfs/dbraw/zinc/91/92/48/595919248.db2.gz QNWZVOHOJRPRLK-FQEVSTJZSA-N 1 2 337.423 1.738 20 30 EDEDLO C#Cc1cccnc1NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000853911220 595919251 /nfs/dbraw/zinc/91/92/51/595919251.db2.gz QNWZVOHOJRPRLK-FQEVSTJZSA-N 1 2 337.423 1.738 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CC(C)(c3nnc(-c4cccnc4)o3)C2)C1=O ZINC000854080128 595969555 /nfs/dbraw/zinc/96/95/55/595969555.db2.gz SVNZCCQHFWVLSU-AWEZNQCLSA-N 1 2 339.399 1.492 20 30 EDEDLO C#C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000851983968 595996319 /nfs/dbraw/zinc/99/63/19/595996319.db2.gz OAFGHDMMWSFNND-KRWDZBQOSA-N 1 2 342.443 1.778 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC000852317893 596124285 /nfs/dbraw/zinc/12/42/85/596124285.db2.gz LMLGXMNTCYRDEK-SFHVURJKSA-N 1 2 338.423 1.944 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC000852317893 596124288 /nfs/dbraw/zinc/12/42/88/596124288.db2.gz LMLGXMNTCYRDEK-SFHVURJKSA-N 1 2 338.423 1.944 20 30 EDEDLO C=CC[C@H]1CCN(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000861979676 596168443 /nfs/dbraw/zinc/16/84/43/596168443.db2.gz XNMVNDPXHTXZPC-ZDUSSCGKSA-N 1 2 325.372 1.630 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccn(-c2cccc(F)c2)n1 ZINC000112602527 596191032 /nfs/dbraw/zinc/19/10/32/596191032.db2.gz FWWNQWTWGOACSL-UHFFFAOYSA-N 1 2 333.367 1.132 20 30 EDEDLO C#CCN(CC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C(=O)OC(C)(C)C ZINC000854844976 596212850 /nfs/dbraw/zinc/21/28/50/596212850.db2.gz FTERWRFHJSZCJH-CHWSQXEVSA-N 1 2 332.404 1.875 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000857336469 596215136 /nfs/dbraw/zinc/21/51/36/596215136.db2.gz ADGFWSCVCNOYKC-FQEVSTJZSA-N 1 2 337.467 1.582 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000857336469 596215138 /nfs/dbraw/zinc/21/51/38/596215138.db2.gz ADGFWSCVCNOYKC-FQEVSTJZSA-N 1 2 337.467 1.582 20 30 EDEDLO C#CCOCCC(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@H]2C1 ZINC000870535301 596274152 /nfs/dbraw/zinc/27/41/52/596274152.db2.gz BSZKYMRDUUJORG-JKSUJKDBSA-N 1 2 329.400 1.057 20 30 EDEDLO C=CCCS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@H]2C1 ZINC000867623517 596466684 /nfs/dbraw/zinc/46/66/84/596466684.db2.gz CSWJZDAIIJJKHD-LSDHHAIUSA-N 1 2 337.445 1.397 20 30 EDEDLO O=S1(=O)CCC[C@H](NN=C2CCCC[C@@H]2[NH+]2CCCCC2)C1 ZINC000863130001 596505288 /nfs/dbraw/zinc/50/52/88/596505288.db2.gz JTNKCPJZUFSBDO-HOCLYGCPSA-N 1 2 327.494 1.938 20 30 EDEDLO C#CCCS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000867733007 596522248 /nfs/dbraw/zinc/52/22/48/596522248.db2.gz GKWFOZDMMOJEBQ-KRWDZBQOSA-N 1 2 336.457 1.139 20 30 EDEDLO C#CCCS(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000867733007 596522251 /nfs/dbraw/zinc/52/22/51/596522251.db2.gz GKWFOZDMMOJEBQ-KRWDZBQOSA-N 1 2 336.457 1.139 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cccc(Br)n2)CC1 ZINC000865419888 596568795 /nfs/dbraw/zinc/56/87/95/596568795.db2.gz AYJZQPOIEHJLEG-UHFFFAOYSA-N 1 2 339.237 1.268 20 30 EDEDLO CN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)Cc2ccc[nH+]c21 ZINC000867899431 596607651 /nfs/dbraw/zinc/60/76/51/596607651.db2.gz ANYMTVBHJNMSQM-UHFFFAOYSA-N 1 2 346.387 1.733 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000865552775 596609154 /nfs/dbraw/zinc/60/91/54/596609154.db2.gz OTUVIGKRCBTSAY-QFIPXVFZSA-N 1 2 334.470 1.668 20 30 EDEDLO C=CCCO[C@H](C)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871541623 596620819 /nfs/dbraw/zinc/62/08/19/596620819.db2.gz CWHBZBGERFWEKE-CQSZACIVSA-N 1 2 340.464 1.890 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1=O ZINC000871672519 596666672 /nfs/dbraw/zinc/66/66/72/596666672.db2.gz QPDQLBRENPMWDV-SZMVWBNQSA-N 1 2 343.427 1.510 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)CC1 ZINC000865795043 596686488 /nfs/dbraw/zinc/68/64/88/596686488.db2.gz KNZPLCUYINNFMU-UHFFFAOYSA-N 1 2 342.365 1.723 20 30 EDEDLO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866228168 596834084 /nfs/dbraw/zinc/83/40/84/596834084.db2.gz GJKLFPZFCXQALQ-CQSZACIVSA-N 1 2 344.459 1.905 20 30 EDEDLO C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(C#N)c1[O-] ZINC000866267972 596842970 /nfs/dbraw/zinc/84/29/70/596842970.db2.gz JVTQKBUMDJYBTE-WBVHZDCISA-N 1 2 344.459 1.321 20 30 EDEDLO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cccc(C#N)c1O ZINC000866396011 596875306 /nfs/dbraw/zinc/87/53/06/596875306.db2.gz KLEVUUKTWVLPDS-AUUYWEPGSA-N 1 2 345.443 1.530 20 30 EDEDLO CCCC(=NNC(=S)NCC[NH+]1CCOCC1)c1cc(C)ccn1 ZINC000872328782 596881397 /nfs/dbraw/zinc/88/13/97/596881397.db2.gz CBNSGODYXWANDM-UHFFFAOYSA-N 1 2 349.504 1.691 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@H+]2CCOC[C@H]2CC)cc1 ZINC000875641739 596930458 /nfs/dbraw/zinc/93/04/58/596930458.db2.gz GNAVDUHXJFBHAN-QGZVFWFLSA-N 1 2 345.443 1.609 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@@H+]2CCOC[C@H]2CC)cc1 ZINC000875641739 596930460 /nfs/dbraw/zinc/93/04/60/596930460.db2.gz GNAVDUHXJFBHAN-QGZVFWFLSA-N 1 2 345.443 1.609 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000872654355 597012495 /nfs/dbraw/zinc/01/24/95/597012495.db2.gz SGVJZCNJKMYGIZ-GJZGRUSLSA-N 1 2 334.441 1.745 20 30 EDEDLO C=CCN(C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)C(C)C ZINC000875886432 597022643 /nfs/dbraw/zinc/02/26/43/597022643.db2.gz MZUQKOMECOKEGF-KRWDZBQOSA-N 1 2 332.448 1.888 20 30 EDEDLO C=CCN(C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)C(C)C ZINC000875886432 597022645 /nfs/dbraw/zinc/02/26/45/597022645.db2.gz MZUQKOMECOKEGF-KRWDZBQOSA-N 1 2 332.448 1.888 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000874467580 597092931 /nfs/dbraw/zinc/09/29/31/597092931.db2.gz PUTRSJOFZDZCFZ-AWEZNQCLSA-N 1 2 326.318 1.516 20 30 EDEDLO C=CC(C)(C)CCCNC(=O)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000872964797 597142556 /nfs/dbraw/zinc/14/25/56/597142556.db2.gz YLAJHQBHIBGBPD-HNNXBMFYSA-N 1 2 337.464 1.028 20 30 EDEDLO CCOC(=O)[C@@H]1[NH2+]CC[C@H]1Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC000873247128 597238723 /nfs/dbraw/zinc/23/87/23/597238723.db2.gz IQXWBMDPQYSETL-IAGOWNOFSA-N 1 2 339.399 1.509 20 30 EDEDLO CCCCCCCNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000875179682 597316840 /nfs/dbraw/zinc/31/68/40/597316840.db2.gz HZQRPBIVCOUCAA-CABCVRRESA-N 1 2 327.469 1.298 20 30 EDEDLO Cc1cc(N2CCN(CC(=O)NCCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000022011686 597447865 /nfs/dbraw/zinc/44/78/65/597447865.db2.gz ZYMZBZFKUBUHLG-UHFFFAOYSA-N 1 2 330.436 1.060 20 30 EDEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000873938363 597459734 /nfs/dbraw/zinc/45/97/34/597459734.db2.gz JJNCUFILCVXQPG-HIFRSBDPSA-N 1 2 345.447 1.518 20 30 EDEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000873938363 597459737 /nfs/dbraw/zinc/45/97/37/597459737.db2.gz JJNCUFILCVXQPG-HIFRSBDPSA-N 1 2 345.447 1.518 20 30 EDEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cc1OC ZINC000877750725 597553080 /nfs/dbraw/zinc/55/30/80/597553080.db2.gz XEFURKXJIABWKB-KGLIPLIRSA-N 1 2 327.808 1.841 20 30 EDEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cc1OC ZINC000877750725 597553081 /nfs/dbraw/zinc/55/30/81/597553081.db2.gz XEFURKXJIABWKB-KGLIPLIRSA-N 1 2 327.808 1.841 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000878111932 597579452 /nfs/dbraw/zinc/57/94/52/597579452.db2.gz KSIDVDFEWIGTRP-IAGOWNOFSA-N 1 2 349.456 1.051 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000878111932 597579453 /nfs/dbraw/zinc/57/94/53/597579453.db2.gz KSIDVDFEWIGTRP-IAGOWNOFSA-N 1 2 349.456 1.051 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000878159301 597583027 /nfs/dbraw/zinc/58/30/27/597583027.db2.gz HTYGEQNNNIAYIY-RTBURBONSA-N 1 2 347.459 1.019 20 30 EDEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000878699594 597683268 /nfs/dbraw/zinc/68/32/68/597683268.db2.gz UGMFIYOOADRQRP-KBPBESRZSA-N 1 2 342.436 1.720 20 30 EDEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000878699594 597683271 /nfs/dbraw/zinc/68/32/71/597683271.db2.gz UGMFIYOOADRQRP-KBPBESRZSA-N 1 2 342.436 1.720 20 30 EDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000878699697 597683419 /nfs/dbraw/zinc/68/34/19/597683419.db2.gz UGMFIYOOADRQRP-ZIAGYGMSSA-N 1 2 342.436 1.720 20 30 EDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000878699697 597683421 /nfs/dbraw/zinc/68/34/21/597683421.db2.gz UGMFIYOOADRQRP-ZIAGYGMSSA-N 1 2 342.436 1.720 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690494 597687703 /nfs/dbraw/zinc/68/77/03/597687703.db2.gz WECGXQYRLOVONK-RDJZCZTQSA-N 1 2 341.459 1.874 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690494 597687707 /nfs/dbraw/zinc/68/77/07/597687707.db2.gz WECGXQYRLOVONK-RDJZCZTQSA-N 1 2 341.459 1.874 20 30 EDEDLO C#CCC1(O)CCN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000883247994 597693126 /nfs/dbraw/zinc/69/31/26/597693126.db2.gz DOEQKMIGMHGOBR-UHFFFAOYSA-N 1 2 331.416 1.767 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879049594 597802090 /nfs/dbraw/zinc/80/20/90/597802090.db2.gz GLKKJDRQHAGSSN-ABAIWWIYSA-N 1 2 332.379 1.421 20 30 EDEDLO CC(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000879236030 597860973 /nfs/dbraw/zinc/86/09/73/597860973.db2.gz OOXZRAZOMPLLRQ-ZDUSSCGKSA-N 1 2 328.416 1.764 20 30 EDEDLO CC(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000879236030 597860974 /nfs/dbraw/zinc/86/09/74/597860974.db2.gz OOXZRAZOMPLLRQ-ZDUSSCGKSA-N 1 2 328.416 1.764 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCNC(=O)CC12CCC2)c1ccccc1 ZINC000880171942 597864801 /nfs/dbraw/zinc/86/48/01/597864801.db2.gz MYRRNTKCAIUMAM-UHFFFAOYSA-N 1 2 340.427 1.678 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCNC(=O)CC12CCC2)c1ccccc1 ZINC000880171942 597864802 /nfs/dbraw/zinc/86/48/02/597864802.db2.gz MYRRNTKCAIUMAM-UHFFFAOYSA-N 1 2 340.427 1.678 20 30 EDEDLO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCC1(F)F ZINC000879367150 597901028 /nfs/dbraw/zinc/90/10/28/597901028.db2.gz DLMXZULKGWUMTB-NWDGAFQWSA-N 1 2 343.374 1.458 20 30 EDEDLO CCOC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CCC1(F)F ZINC000879367150 597901029 /nfs/dbraw/zinc/90/10/29/597901029.db2.gz DLMXZULKGWUMTB-NWDGAFQWSA-N 1 2 343.374 1.458 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000884062182 597983073 /nfs/dbraw/zinc/98/30/73/597983073.db2.gz IWTCYVDIJATBOH-LBPRGKRZSA-N 1 2 330.306 1.768 20 30 EDEDLO C#CCOc1ccc(C(=O)NC2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)cc1 ZINC001031066708 695449301 /nfs/dbraw/zinc/44/93/01/695449301.db2.gz LPWKPMLPVCGCBG-KSSFIOAISA-N 1 2 328.412 1.680 20 30 EDEDLO C[C@@H]1CO[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001031858217 700000474 /nfs/dbraw/zinc/00/04/74/700000474.db2.gz RUFTZVYJQSWHCV-SJCJKPOMSA-N 1 2 331.391 1.670 20 30 EDEDLO CS(=O)(=O)c1ccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)cc1 ZINC000914836209 695658992 /nfs/dbraw/zinc/65/89/92/695658992.db2.gz FGDBQUYXBORQFB-UHFFFAOYSA-N 1 2 345.428 1.926 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@@H+]1Cc1ccn(C)n1 ZINC000993192961 695770693 /nfs/dbraw/zinc/77/06/93/695770693.db2.gz DIMPZHNOUGEHNI-MLGOLLRUSA-N 1 2 326.404 1.403 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CCC[N@H+]1Cc1ccn(C)n1 ZINC000993192961 695770696 /nfs/dbraw/zinc/77/06/96/695770696.db2.gz DIMPZHNOUGEHNI-MLGOLLRUSA-N 1 2 326.404 1.403 20 30 EDEDLO C[C@H](C#N)C(=O)N(C)Cc1ccccc1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001060532578 695808895 /nfs/dbraw/zinc/80/88/95/695808895.db2.gz AXTGBDGKLDYFEP-CYBMUJFWSA-N 1 2 339.399 1.387 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)nc1 ZINC001060558072 695995408 /nfs/dbraw/zinc/99/54/08/695995408.db2.gz VKUNYQKKQIBRFA-CWRNSKLLSA-N 1 2 336.399 1.568 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCC(Nc2cncc(C#N)n2)CC1 ZINC001060599561 696231686 /nfs/dbraw/zinc/23/16/86/696231686.db2.gz IWHIVNCNXGHTQE-UHFFFAOYSA-N 1 2 339.403 1.462 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(C)=O)C1 ZINC000993607426 696255744 /nfs/dbraw/zinc/25/57/44/696255744.db2.gz RRYHVIVHPQWGFS-CHWSQXEVSA-N 1 2 338.839 1.629 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnon2)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000994036204 696501919 /nfs/dbraw/zinc/50/19/19/696501919.db2.gz GUABZFYFQRTFRW-IAQYHMDHSA-N 1 2 343.362 1.863 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnon2)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000994036204 696501920 /nfs/dbraw/zinc/50/19/20/696501920.db2.gz GUABZFYFQRTFRW-IAQYHMDHSA-N 1 2 343.362 1.863 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(Cc2cc(F)ccc2C#N)C1 ZINC001031313628 696642768 /nfs/dbraw/zinc/64/27/68/696642768.db2.gz RQDRCTOSVXOUMJ-UHFFFAOYSA-N 1 2 327.363 1.272 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@H]1C ZINC000994270296 696693892 /nfs/dbraw/zinc/69/38/92/696693892.db2.gz FTWPJGCWWHSZMB-KGLIPLIRSA-N 1 2 338.839 1.273 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2nc(C)ccc2=O)[C@H]1C ZINC000994270296 696693894 /nfs/dbraw/zinc/69/38/94/696693894.db2.gz FTWPJGCWWHSZMB-KGLIPLIRSA-N 1 2 338.839 1.273 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)no1 ZINC001031530857 697215638 /nfs/dbraw/zinc/21/56/38/697215638.db2.gz FJWHQQHXVGPOCX-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)c1cc[n+]([O-])cc1 ZINC001031536924 697220525 /nfs/dbraw/zinc/22/05/25/697220525.db2.gz LBDPQLSWGMYCGO-UHFFFAOYSA-N 1 2 339.370 1.172 20 30 EDEDLO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031577641 697274007 /nfs/dbraw/zinc/27/40/07/697274007.db2.gz CEBOIEMNKWBDTE-GJZGRUSLSA-N 1 2 345.374 1.054 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCCO3)C2)c(F)c1 ZINC001031617956 697335062 /nfs/dbraw/zinc/33/50/62/697335062.db2.gz VUINWJINSNLCQE-KRWDZBQOSA-N 1 2 331.391 1.814 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000921437693 697613003 /nfs/dbraw/zinc/61/30/03/697613003.db2.gz DTYDPSHYIWSPOA-UHFFFAOYSA-N 1 2 348.255 1.764 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756235 698419167 /nfs/dbraw/zinc/41/91/67/698419167.db2.gz HRCHDBTXMIPNIS-SHTZXODSSA-N 1 2 332.448 1.887 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000938694860 698513142 /nfs/dbraw/zinc/51/31/42/698513142.db2.gz GQIWJAUDQZHITK-BFHYXJOUSA-N 1 2 328.416 1.587 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000938694860 698513144 /nfs/dbraw/zinc/51/31/44/698513144.db2.gz GQIWJAUDQZHITK-BFHYXJOUSA-N 1 2 328.416 1.587 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943674767 698677025 /nfs/dbraw/zinc/67/70/25/698677025.db2.gz KFBVFQJTAHOGBW-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943674767 698677028 /nfs/dbraw/zinc/67/70/28/698677028.db2.gz KFBVFQJTAHOGBW-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1NC(=O)c1nc[nH]n1 ZINC000943674767 698677031 /nfs/dbraw/zinc/67/70/31/698677031.db2.gz KFBVFQJTAHOGBW-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1NC(=O)c1nc[nH]n1 ZINC000943674767 698677033 /nfs/dbraw/zinc/67/70/33/698677033.db2.gz KFBVFQJTAHOGBW-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@H]1NC(=O)c1nnc[nH]1 ZINC000943700989 698738930 /nfs/dbraw/zinc/73/89/30/698738930.db2.gz FAXNUVBLIKEDOL-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@H]1NC(=O)c1nnc[nH]1 ZINC000943700989 698738934 /nfs/dbraw/zinc/73/89/34/698738934.db2.gz FAXNUVBLIKEDOL-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943700989 698738939 /nfs/dbraw/zinc/73/89/39/698738939.db2.gz FAXNUVBLIKEDOL-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943700989 698738943 /nfs/dbraw/zinc/73/89/43/698738943.db2.gz FAXNUVBLIKEDOL-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](C)C1 ZINC000943727031 698756181 /nfs/dbraw/zinc/75/61/81/698756181.db2.gz NPJOFEHQLLOPGN-SCZZXKLOSA-N 1 2 329.198 1.418 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](C)C1 ZINC000943727031 698756185 /nfs/dbraw/zinc/75/61/85/698756185.db2.gz NPJOFEHQLLOPGN-SCZZXKLOSA-N 1 2 329.198 1.418 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000938992505 699037165 /nfs/dbraw/zinc/03/71/65/699037165.db2.gz NDCMMPPTHFCGIN-INIZCTEOSA-N 1 2 336.395 1.307 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@@H]1CCn2cncc2C1 ZINC001031775983 699149892 /nfs/dbraw/zinc/14/98/92/699149892.db2.gz MMTKQMGBORWDOR-LJQANCHMSA-N 1 2 348.450 1.545 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)C1 ZINC000941540706 701570512 /nfs/dbraw/zinc/57/05/12/701570512.db2.gz LIIMLNYEQCHOJO-UHFFFAOYSA-N 1 2 345.874 1.734 20 30 EDEDLO C[C@H]1C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)CO1 ZINC001031790094 699254983 /nfs/dbraw/zinc/25/49/83/699254983.db2.gz RFCSGKAHKUGMFT-LRDDRELGSA-N 1 2 331.391 1.670 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cnn(CCF)c2)C1 ZINC001031800425 699317719 /nfs/dbraw/zinc/31/77/19/699317719.db2.gz PRKWAAOLGRQRSL-UHFFFAOYSA-N 1 2 341.390 1.586 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)c3cccnc3)CC2)C1 ZINC000941593528 701586716 /nfs/dbraw/zinc/58/67/16/701586716.db2.gz QUXUVUAJWMHMSW-MRXNPFEDSA-N 1 2 326.444 1.037 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3[C@@H]4CCCCCC[C@@H]34)CC2)C1 ZINC000941582353 701589498 /nfs/dbraw/zinc/58/94/98/701589498.db2.gz NBVFUSCGLVUKAL-QZTJIDSGSA-N 1 2 329.488 1.664 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]c(-c4ccccc4)n3)CC2)C1 ZINC000941587795 701591312 /nfs/dbraw/zinc/59/13/12/701591312.db2.gz VGEWGGRUDOPXJS-UHFFFAOYSA-N 1 2 349.438 1.152 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4cccnc4s3)CC2)C1 ZINC000941626456 701598912 /nfs/dbraw/zinc/59/89/12/701598912.db2.gz KTZDBOXLNUYZNZ-UHFFFAOYSA-N 1 2 340.452 1.372 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3sccc3CC)CC2)C1 ZINC000941677653 701616171 /nfs/dbraw/zinc/61/61/71/701616171.db2.gz RXUVJFFVZBAWJX-UHFFFAOYSA-N 1 2 331.485 1.776 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)C1 ZINC000945485565 700400561 /nfs/dbraw/zinc/40/05/61/700400561.db2.gz YXAPCTXYTBFJEA-KGLIPLIRSA-N 1 2 330.432 1.662 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)o1 ZINC000940686557 700829572 /nfs/dbraw/zinc/82/95/72/700829572.db2.gz NUTWAOJCZXBJRT-CQSZACIVSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)o1 ZINC000940686557 700829575 /nfs/dbraw/zinc/82/95/75/700829575.db2.gz NUTWAOJCZXBJRT-CQSZACIVSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940692620 700834650 /nfs/dbraw/zinc/83/46/50/700834650.db2.gz AYPFOBULDWMSOP-HNNXBMFYSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1nonc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C(C)(C)C1 ZINC000940692620 700834652 /nfs/dbraw/zinc/83/46/52/700834652.db2.gz AYPFOBULDWMSOP-HNNXBMFYSA-N 1 2 342.403 1.608 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(C)nn3)CC2(C)C)C1 ZINC000941017938 701057463 /nfs/dbraw/zinc/05/74/63/701057463.db2.gz SKLZFCJGWTZBMF-OAHLLOKOSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3cn(C)nn3)CC2(C)C)C1 ZINC000941017938 701057465 /nfs/dbraw/zinc/05/74/65/701057465.db2.gz SKLZFCJGWTZBMF-OAHLLOKOSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3c(C)nnn3CC)C2)CC1 ZINC001031951474 701546758 /nfs/dbraw/zinc/54/67/58/701546758.db2.gz IOTBYTSSVTXRJB-UHFFFAOYSA-N 1 2 331.464 1.901 20 30 EDEDLO CCc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)o1 ZINC000995810276 702057877 /nfs/dbraw/zinc/05/78/77/702057877.db2.gz GNSSQBBDCWDDSL-GXTWGEPZSA-N 1 2 330.432 1.933 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000995830839 702105385 /nfs/dbraw/zinc/10/53/85/702105385.db2.gz IRMDNIYAARECHH-ILXRZTDVSA-N 1 2 348.447 1.686 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H](C)C1 ZINC000942000129 702358200 /nfs/dbraw/zinc/35/82/00/702358200.db2.gz DPCXNDRZAMBEFR-KOLCDFICSA-N 1 2 342.241 1.164 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)[C@H](C)C1 ZINC000942000129 702358203 /nfs/dbraw/zinc/35/82/03/702358203.db2.gz DPCXNDRZAMBEFR-KOLCDFICSA-N 1 2 342.241 1.164 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(OC)ns2)C1 ZINC001031987562 702420423 /nfs/dbraw/zinc/42/04/23/702420423.db2.gz UDNNCJZEJUNQFV-KGLIPLIRSA-N 1 2 337.445 1.291 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccc(C)n3)C[C@@H]2C)cn1 ZINC000944215581 702547124 /nfs/dbraw/zinc/54/71/24/702547124.db2.gz UMKZNOABSPFPHX-KSSFIOAISA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccc(C)n3)C[C@@H]2C)cn1 ZINC000944215581 702547127 /nfs/dbraw/zinc/54/71/27/702547127.db2.gz UMKZNOABSPFPHX-KSSFIOAISA-N 1 2 349.438 1.802 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000942216933 702718885 /nfs/dbraw/zinc/71/88/85/702718885.db2.gz TXMMMZQFOSRHAA-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)c1cn[nH]n1 ZINC000942216933 702718886 /nfs/dbraw/zinc/71/88/86/702718886.db2.gz TXMMMZQFOSRHAA-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000942216933 702718889 /nfs/dbraw/zinc/71/88/89/702718889.db2.gz TXMMMZQFOSRHAA-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)c1cnn[nH]1 ZINC000942216933 702718891 /nfs/dbraw/zinc/71/88/91/702718891.db2.gz TXMMMZQFOSRHAA-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@@H]2C)cc1 ZINC000942553701 703066002 /nfs/dbraw/zinc/06/60/02/703066002.db2.gz SLPCUWAZTLFPOT-KBXCAEBGSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)C[C@@H]2C)cc1 ZINC000942553701 703066005 /nfs/dbraw/zinc/06/60/05/703066005.db2.gz SLPCUWAZTLFPOT-KBXCAEBGSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@@H]2C)cc1 ZINC000942554039 703067155 /nfs/dbraw/zinc/06/71/55/703067155.db2.gz XNQIBXPSYMZUTQ-GUYCJALGSA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)C[C@@H]2C)cc1 ZINC000942554039 703067157 /nfs/dbraw/zinc/06/71/57/703067157.db2.gz XNQIBXPSYMZUTQ-GUYCJALGSA-N 1 2 338.411 2.000 20 30 EDEDLO Cc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)nnn1C ZINC001032328428 703102946 /nfs/dbraw/zinc/10/29/46/703102946.db2.gz RMLPWAQILYPJME-HOTGVXAUSA-N 1 2 336.399 1.094 20 30 EDEDLO Cc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)nnn1C ZINC001032328428 703102948 /nfs/dbraw/zinc/10/29/48/703102948.db2.gz RMLPWAQILYPJME-HOTGVXAUSA-N 1 2 336.399 1.094 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnc(C)nc2)C1 ZINC001032040506 703153948 /nfs/dbraw/zinc/15/39/48/703153948.db2.gz GTTWVKYVSBZDRR-ROUUACIJSA-N 1 2 344.459 1.704 20 30 EDEDLO Cc1cc(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001032349398 703174689 /nfs/dbraw/zinc/17/46/89/703174689.db2.gz NTGLRCMPJIJTKW-OALUTQOASA-N 1 2 334.423 1.597 20 30 EDEDLO Cc1cc(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#Cc2ccccc2)[nH]n1 ZINC001032349398 703174690 /nfs/dbraw/zinc/17/46/90/703174690.db2.gz NTGLRCMPJIJTKW-OALUTQOASA-N 1 2 334.423 1.597 20 30 EDEDLO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3conc3C)C2)nn1 ZINC001032041719 703184412 /nfs/dbraw/zinc/18/44/12/703184412.db2.gz YBQZAXQPGCHLRG-UHFFFAOYSA-N 1 2 330.392 1.012 20 30 EDEDLO CCc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)n(C)n1 ZINC001032699787 706736790 /nfs/dbraw/zinc/73/67/90/706736790.db2.gz XBKXWVPCBCISOJ-ROUUACIJSA-N 1 2 349.438 1.953 20 30 EDEDLO CCc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)n(C)n1 ZINC001032699787 706736792 /nfs/dbraw/zinc/73/67/92/706736792.db2.gz XBKXWVPCBCISOJ-ROUUACIJSA-N 1 2 349.438 1.953 20 30 EDEDLO CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000942854217 703387655 /nfs/dbraw/zinc/38/76/55/703387655.db2.gz OUOOIPMTVIOEIT-OCCSQVGLSA-N 1 2 339.399 1.786 20 30 EDEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCN(c2ccccc2)C1=O ZINC001032397127 703408655 /nfs/dbraw/zinc/40/86/55/703408655.db2.gz MECYHLFWZPGZHL-GBESFXJTSA-N 1 2 349.434 1.490 20 30 EDEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCN(c2ccccc2)C1=O ZINC001032397127 703408657 /nfs/dbraw/zinc/40/86/57/703408657.db2.gz MECYHLFWZPGZHL-GBESFXJTSA-N 1 2 349.434 1.490 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCOC2)cc1C#N ZINC001038096122 703469690 /nfs/dbraw/zinc/46/96/90/703469690.db2.gz LVEDSACJYJSKNP-GOEBONIOSA-N 1 2 329.400 1.294 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCOC2)cc1C#N ZINC001038096122 703469692 /nfs/dbraw/zinc/46/96/92/703469692.db2.gz LVEDSACJYJSKNP-GOEBONIOSA-N 1 2 329.400 1.294 20 30 EDEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001015987529 703549784 /nfs/dbraw/zinc/54/97/84/703549784.db2.gz KYMTWKRPXUSHOY-KDOFPFPSSA-N 1 2 349.438 1.777 20 30 EDEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)C1 ZINC001015987529 703549786 /nfs/dbraw/zinc/54/97/86/703549786.db2.gz KYMTWKRPXUSHOY-KDOFPFPSSA-N 1 2 349.438 1.777 20 30 EDEDLO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)ccc1=O ZINC001032494992 703781321 /nfs/dbraw/zinc/78/13/21/703781321.db2.gz APCVQYFSMHPEFE-OALUTQOASA-N 1 2 347.418 1.336 20 30 EDEDLO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#Cc2ccccc2)ccc1=O ZINC001032494992 703781323 /nfs/dbraw/zinc/78/13/23/703781323.db2.gz APCVQYFSMHPEFE-OALUTQOASA-N 1 2 347.418 1.336 20 30 EDEDLO N#Cc1ccc(F)cc1CN1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004258421 704087097 /nfs/dbraw/zinc/08/70/97/704087097.db2.gz QVTBZQGWFRHHGC-UHFFFAOYSA-N 1 2 341.390 1.675 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N3CC[C@H]4CN(CC#N)C[C@H]4CC3)ccn12 ZINC000946592389 704229800 /nfs/dbraw/zinc/22/98/00/704229800.db2.gz KSTAEJWMESIYBQ-CALCHBBNSA-N 1 2 337.427 1.950 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C(C)(C)C1 ZINC000995585985 704550752 /nfs/dbraw/zinc/55/07/52/704550752.db2.gz WOOXNEMEZCRGOO-NEPJUHHUSA-N 1 2 333.436 1.853 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCN1c1nccs1 ZINC001032539499 704590090 /nfs/dbraw/zinc/59/00/90/704590090.db2.gz CUPZNQMUIGIMDE-SOUVJXGZSA-N 1 2 330.457 1.420 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCN1c1nccs1 ZINC001032539499 704590091 /nfs/dbraw/zinc/59/00/91/704590091.db2.gz CUPZNQMUIGIMDE-SOUVJXGZSA-N 1 2 330.457 1.420 20 30 EDEDLO O=C(C#CC1CC1)N1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC000944988127 704888259 /nfs/dbraw/zinc/88/82/59/704888259.db2.gz RVMBHDIADMBLMF-UHFFFAOYSA-N 1 2 340.427 1.138 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC000945035699 704966117 /nfs/dbraw/zinc/96/61/17/704966117.db2.gz RMZITIPVVFUSFK-CABCVRRESA-N 1 2 343.431 1.445 20 30 EDEDLO Cc1nnc([C@@H](C)[NH2+][C@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)o1 ZINC000995667191 705010761 /nfs/dbraw/zinc/01/07/61/705010761.db2.gz IMOLUZCCKJZGHI-YGRLFVJLSA-N 1 2 342.403 1.779 20 30 EDEDLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032635562 705952441 /nfs/dbraw/zinc/95/24/41/705952441.db2.gz RYUABKWWHMUAHY-QCSYZSNVSA-N 1 2 325.412 1.768 20 30 EDEDLO C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032635562 705952446 /nfs/dbraw/zinc/95/24/46/705952446.db2.gz RYUABKWWHMUAHY-QCSYZSNVSA-N 1 2 325.412 1.768 20 30 EDEDLO COCc1noc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999127924 706529367 /nfs/dbraw/zinc/52/93/67/706529367.db2.gz KPGKQSZSZDHZKX-OCCSQVGLSA-N 1 2 332.404 1.271 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nocc2C)C1 ZINC000999390166 706903378 /nfs/dbraw/zinc/90/33/78/706903378.db2.gz DRHNKXBNKTUDEO-WBVHZDCISA-N 1 2 330.432 1.161 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001005054267 707212321 /nfs/dbraw/zinc/21/23/21/707212321.db2.gz HIVXPJWQBFEPTB-GDBMZVCRSA-N 1 2 346.475 1.918 20 30 EDEDLO C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001061631302 707416853 /nfs/dbraw/zinc/41/68/53/707416853.db2.gz RYIDERCZNGSCTC-HOCLYGCPSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001061631302 707416857 /nfs/dbraw/zinc/41/68/57/707416857.db2.gz RYIDERCZNGSCTC-HOCLYGCPSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(n2)OCCO3)C1 ZINC001033229656 707884843 /nfs/dbraw/zinc/88/48/43/707884843.db2.gz UVMCCNQGENETEQ-GFCCVEGCSA-N 1 2 337.807 1.752 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c(n2)OCCO3)C1 ZINC001033229656 707884848 /nfs/dbraw/zinc/88/48/48/707884848.db2.gz UVMCCNQGENETEQ-GFCCVEGCSA-N 1 2 337.807 1.752 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(C(F)(F)F)n1 ZINC001032770090 707925228 /nfs/dbraw/zinc/92/52/28/707925228.db2.gz KBAVCLXQRVDXSU-RYUDHWBXSA-N 1 2 326.322 1.210 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccc(C(F)(F)F)n1 ZINC001032770090 707925230 /nfs/dbraw/zinc/92/52/30/707925230.db2.gz KBAVCLXQRVDXSU-RYUDHWBXSA-N 1 2 326.322 1.210 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1CC(F)(F)F ZINC001032801857 708084823 /nfs/dbraw/zinc/08/48/23/708084823.db2.gz HBDLQKXGCAZCFC-IHRRRGAJSA-N 1 2 329.366 1.322 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1CC(F)(F)F ZINC001032801857 708084825 /nfs/dbraw/zinc/08/48/25/708084825.db2.gz HBDLQKXGCAZCFC-IHRRRGAJSA-N 1 2 329.366 1.322 20 30 EDEDLO Cc1ccc(C#N)c(NC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001061017217 708204346 /nfs/dbraw/zinc/20/43/46/708204346.db2.gz LHSBJRRKCWWSHV-AWEZNQCLSA-N 1 2 338.415 1.878 20 30 EDEDLO Cc1ccc(C#N)c(NC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001061017217 708204349 /nfs/dbraw/zinc/20/43/49/708204349.db2.gz LHSBJRRKCWWSHV-AWEZNQCLSA-N 1 2 338.415 1.878 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2CC[NH+](Cc3cnon3)CC2)c1 ZINC001001813016 708337670 /nfs/dbraw/zinc/33/76/70/708337670.db2.gz SDDFBXBAEMWNRC-UHFFFAOYSA-N 1 2 325.372 1.088 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]2C)C1 ZINC001005263826 708464805 /nfs/dbraw/zinc/46/48/05/708464805.db2.gz FEFNIYABTWTMSX-HUUCEWRRSA-N 1 2 330.432 1.593 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC001033683054 708494654 /nfs/dbraw/zinc/49/46/54/708494654.db2.gz SFKFSUDMPSWZBC-HOTGVXAUSA-N 1 2 341.883 1.382 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC001033683054 708494658 /nfs/dbraw/zinc/49/46/58/708494658.db2.gz SFKFSUDMPSWZBC-HOTGVXAUSA-N 1 2 341.883 1.382 20 30 EDEDLO Cc1nnc(C[NH+]2CCC(N(C)C(=O)c3c[nH]c(C#N)c3)CC2)o1 ZINC001005276779 708505543 /nfs/dbraw/zinc/50/55/43/708505543.db2.gz OHTZRCAHCZAALB-UHFFFAOYSA-N 1 2 328.376 1.314 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)N1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001061043642 708540558 /nfs/dbraw/zinc/54/05/58/708540558.db2.gz WRUIOAPKOPJKRA-MRXNPFEDSA-N 1 2 344.459 1.936 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001033802306 708796176 /nfs/dbraw/zinc/79/61/76/708796176.db2.gz SISVUVDLKCJZHK-CQSZACIVSA-N 1 2 344.444 1.783 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001033802306 708796177 /nfs/dbraw/zinc/79/61/77/708796177.db2.gz SISVUVDLKCJZHK-CQSZACIVSA-N 1 2 344.444 1.783 20 30 EDEDLO Cc1cc(C#N)nc(N[C@H]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001061107464 709136629 /nfs/dbraw/zinc/13/66/29/709136629.db2.gz LOBOFPHMMZGFDG-OLZOCXBDSA-N 1 2 339.403 1.462 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001034010136 709222080 /nfs/dbraw/zinc/22/20/80/709222080.db2.gz UMDSQIIJHXPNFQ-HUUCEWRRSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCN(C(=O)CC)C2)C1 ZINC001034010136 709222081 /nfs/dbraw/zinc/22/20/81/709222081.db2.gz UMDSQIIJHXPNFQ-HUUCEWRRSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001034055410 709286321 /nfs/dbraw/zinc/28/63/21/709286321.db2.gz UZZWSMPGVKQENM-ZDUSSCGKSA-N 1 2 336.823 1.469 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001034055410 709286324 /nfs/dbraw/zinc/28/63/24/709286324.db2.gz UZZWSMPGVKQENM-ZDUSSCGKSA-N 1 2 336.823 1.469 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001034079319 709324911 /nfs/dbraw/zinc/32/49/11/709324911.db2.gz DLAQNFBRKWGZIV-GFCCVEGCSA-N 1 2 345.237 1.754 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)C2=COCCO2)C1 ZINC001034079319 709324914 /nfs/dbraw/zinc/32/49/14/709324914.db2.gz DLAQNFBRKWGZIV-GFCCVEGCSA-N 1 2 345.237 1.754 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001002761428 709370172 /nfs/dbraw/zinc/37/01/72/709370172.db2.gz GALVLUIACCTKLT-HNAYVOBHSA-N 1 2 344.459 1.622 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001002774729 709381826 /nfs/dbraw/zinc/38/18/26/709381826.db2.gz AOXGSCSLFLIWSQ-BEFAXECRSA-N 1 2 344.459 1.622 20 30 EDEDLO Cc1noc([C@@H](C)[N@@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034165220 709438721 /nfs/dbraw/zinc/43/87/21/709438721.db2.gz LZWAVFFXKABBRJ-BXUZGUMPSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1noc([C@@H](C)[N@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034165220 709438722 /nfs/dbraw/zinc/43/87/22/709438722.db2.gz LZWAVFFXKABBRJ-BXUZGUMPSA-N 1 2 342.403 1.923 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001034219524 709576867 /nfs/dbraw/zinc/57/68/67/709576867.db2.gz NZKMEEZUXBINGY-LBPRGKRZSA-N 1 2 340.859 1.765 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001034219524 709576874 /nfs/dbraw/zinc/57/68/74/709576874.db2.gz NZKMEEZUXBINGY-LBPRGKRZSA-N 1 2 340.859 1.765 20 30 EDEDLO CN(c1ncc(C#N)cc1F)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001061228049 709829762 /nfs/dbraw/zinc/82/97/62/709829762.db2.gz SEGYFGHVBPEIPH-ZDUSSCGKSA-N 1 2 342.378 1.485 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001061745505 709905881 /nfs/dbraw/zinc/90/58/81/709905881.db2.gz ZRHFCLSYZGVNEW-DZGCQCFKSA-N 1 2 348.447 1.207 20 30 EDEDLO CN(c1cncc(C#N)n1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001061243309 709933146 /nfs/dbraw/zinc/93/31/46/709933146.db2.gz BOELPNBJADHJQH-HNNXBMFYSA-N 1 2 339.403 1.062 20 30 EDEDLO N#Cc1cc(C(=O)N2CC(CNC(=O)c3cccc4[nH+]ccn43)C2)c[nH]1 ZINC001003210651 710121654 /nfs/dbraw/zinc/12/16/54/710121654.db2.gz QOZKRMBPQMXGAR-UHFFFAOYSA-N 1 2 348.366 1.036 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001061755451 710150032 /nfs/dbraw/zinc/15/00/32/710150032.db2.gz JXNSKHPQZLAVOO-DZGCQCFKSA-N 1 2 348.447 1.144 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001061755451 710150034 /nfs/dbraw/zinc/15/00/34/710150034.db2.gz JXNSKHPQZLAVOO-DZGCQCFKSA-N 1 2 348.447 1.144 20 30 EDEDLO O=C(C#CC1CC1)N1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001003360292 710282691 /nfs/dbraw/zinc/28/26/91/710282691.db2.gz SHTQESVZCAXRPX-UHFFFAOYSA-N 1 2 348.406 1.474 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nc(CC)no2)CC1 ZINC001003656345 710474075 /nfs/dbraw/zinc/47/40/75/710474075.db2.gz ZGXPRTLTYUOOQP-YUELXQCFSA-N 1 2 348.447 1.865 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001003762536 710540770 /nfs/dbraw/zinc/54/07/70/710540770.db2.gz GDJLDDNGOAPRIK-WMZOPIPTSA-N 1 2 346.475 1.872 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001003788215 710560733 /nfs/dbraw/zinc/56/07/33/710560733.db2.gz LXOWZJHVFQPYJJ-KBMXLJTQSA-N 1 2 347.463 1.438 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccc(CNC(C)=O)o2)CC1 ZINC001003801437 710569588 /nfs/dbraw/zinc/56/95/88/710569588.db2.gz HMJTTWWTQYPILF-UHFFFAOYSA-N 1 2 339.823 1.862 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC(NC(=O)c3nnc[nH]3)CC2)cc1F ZINC001003814059 710587285 /nfs/dbraw/zinc/58/72/85/710587285.db2.gz PNUWCSNVCXYCRA-UHFFFAOYSA-N 1 2 328.351 1.210 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC(NC(=O)c3ncn[nH]3)CC2)cc1F ZINC001003814059 710587286 /nfs/dbraw/zinc/58/72/86/710587286.db2.gz PNUWCSNVCXYCRA-UHFFFAOYSA-N 1 2 328.351 1.210 20 30 EDEDLO CN(C(=O)c1cn[nH]c1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032926576 710821599 /nfs/dbraw/zinc/82/15/99/710821599.db2.gz SWXJDQWQZUAAQD-HNNXBMFYSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1cn[nH]c1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032926576 710821605 /nfs/dbraw/zinc/82/16/05/710821605.db2.gz SWXJDQWQZUAAQD-HNNXBMFYSA-N 1 2 327.363 1.767 20 30 EDEDLO C#Cc1ccc(C(=O)NCc2ccc(C[NH2+]Cc3cnon3)cc2)nc1 ZINC001034828190 711232308 /nfs/dbraw/zinc/23/23/08/711232308.db2.gz NKENMDIQNTWRSI-UHFFFAOYSA-N 1 2 347.378 1.666 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC001004056558 711358100 /nfs/dbraw/zinc/35/81/00/711358100.db2.gz SMQUXFXBFNDTMM-UHFFFAOYSA-N 1 2 338.411 1.683 20 30 EDEDLO COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)on1 ZINC001033022598 711374000 /nfs/dbraw/zinc/37/40/00/711374000.db2.gz OSBAEENHTYZCLO-LBPRGKRZSA-N 1 2 329.360 1.229 20 30 EDEDLO COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)on1 ZINC001033022598 711374002 /nfs/dbraw/zinc/37/40/02/711374002.db2.gz OSBAEENHTYZCLO-LBPRGKRZSA-N 1 2 329.360 1.229 20 30 EDEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033022650 711378865 /nfs/dbraw/zinc/37/88/65/711378865.db2.gz OZXWQGQOKOMENX-HNNXBMFYSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033022650 711378869 /nfs/dbraw/zinc/37/88/69/711378869.db2.gz OZXWQGQOKOMENX-HNNXBMFYSA-N 1 2 327.363 1.767 20 30 EDEDLO Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)c(C)o1 ZINC001033024080 711395268 /nfs/dbraw/zinc/39/52/68/711395268.db2.gz SGMXNJXSOHHMGC-HNNXBMFYSA-N 1 2 327.388 1.838 20 30 EDEDLO Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)c(C)o1 ZINC001033024080 711395272 /nfs/dbraw/zinc/39/52/72/711395272.db2.gz SGMXNJXSOHHMGC-HNNXBMFYSA-N 1 2 327.388 1.838 20 30 EDEDLO N#Cc1cncc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000922480060 711599069 /nfs/dbraw/zinc/59/90/69/711599069.db2.gz CDBDUBIVJICUJJ-GOSISDBHSA-N 1 2 337.379 1.897 20 30 EDEDLO N#Cc1cncc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000922480060 711599070 /nfs/dbraw/zinc/59/90/70/711599070.db2.gz CDBDUBIVJICUJJ-GOSISDBHSA-N 1 2 337.379 1.897 20 30 EDEDLO Cc1cc(C)n(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004476576 711856516 /nfs/dbraw/zinc/85/65/16/711856516.db2.gz MCHDCWUTAALSMW-QGZVFWFLSA-N 1 2 329.448 1.727 20 30 EDEDLO Cc1cc(C)n(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004476576 711856518 /nfs/dbraw/zinc/85/65/18/711856518.db2.gz MCHDCWUTAALSMW-QGZVFWFLSA-N 1 2 329.448 1.727 20 30 EDEDLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000328813295 539368603 /nfs/dbraw/zinc/36/86/03/539368603.db2.gz BSJNOSUHFGRXAR-BFHYXJOUSA-N 1 2 343.493 1.611 20 30 EDEDLO COCCCNC(=O)[C@@H](C)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000103493892 219307367 /nfs/dbraw/zinc/30/73/67/219307367.db2.gz ISASTCRJJPWKSB-MRXNPFEDSA-N 1 2 344.459 1.217 20 30 EDEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000103493892 219307371 /nfs/dbraw/zinc/30/73/71/219307371.db2.gz ISASTCRJJPWKSB-MRXNPFEDSA-N 1 2 344.459 1.217 20 30 EDEDLO CC(C)(C)n1ncnc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000563012550 306315792 /nfs/dbraw/zinc/31/57/92/306315792.db2.gz WOCSCITTXOLQBS-UHFFFAOYSA-N 1 2 347.444 1.468 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)s1 ZINC000563351278 306328895 /nfs/dbraw/zinc/32/88/95/306328895.db2.gz YEEOGEXAHVWYEN-UHFFFAOYSA-N 1 2 328.397 1.678 20 30 EDEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000331336493 283139171 /nfs/dbraw/zinc/13/91/71/283139171.db2.gz QMMNKFCZBDXSAR-UONOGXRCSA-N 1 2 327.837 1.918 20 30 EDEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CCC#N)[C@H]1c1ccc(Cl)cc1 ZINC000331336493 283139172 /nfs/dbraw/zinc/13/91/72/283139172.db2.gz QMMNKFCZBDXSAR-UONOGXRCSA-N 1 2 327.837 1.918 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000036774993 283160314 /nfs/dbraw/zinc/16/03/14/283160314.db2.gz FCOUSHZZMXOPIU-UHFFFAOYSA-N 1 2 343.387 1.211 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000073868065 138221493 /nfs/dbraw/zinc/22/14/93/138221493.db2.gz JUTKNICNNHDHNI-SFHVURJKSA-N 1 2 347.422 1.881 20 30 EDEDLO C[C@@](C#N)(NC(=O)CN1CC[NH+](Cc2cccnc2)CC1)C1CC1 ZINC000125332853 237162777 /nfs/dbraw/zinc/16/27/77/237162777.db2.gz LWKGBUFISWVAKD-SFHVURJKSA-N 1 2 327.432 1.008 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](OCCO)C2)C1=O ZINC000246432155 139108115 /nfs/dbraw/zinc/10/81/15/139108115.db2.gz LLYXFJHKOZUDRF-ZIAGYGMSSA-N 1 2 335.429 1.198 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](OCCO)C2)C1=O ZINC000246432155 139108116 /nfs/dbraw/zinc/10/81/16/139108116.db2.gz LLYXFJHKOZUDRF-ZIAGYGMSSA-N 1 2 335.429 1.198 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1COc2ccccc21 ZINC000264916188 249338043 /nfs/dbraw/zinc/33/80/43/249338043.db2.gz SMOKQIIBDWDIOA-INIZCTEOSA-N 1 2 329.400 1.237 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342797914 250010119 /nfs/dbraw/zinc/01/01/19/250010119.db2.gz RGASVNJYTWAFJN-UHFFFAOYSA-N 1 2 331.464 1.194 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000341857873 250000766 /nfs/dbraw/zinc/00/07/66/250000766.db2.gz DJQXNEKZSJVJBF-QGZVFWFLSA-N 1 2 328.416 1.915 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(SCC#N)c1 ZINC000344995166 250023086 /nfs/dbraw/zinc/02/30/86/250023086.db2.gz LVOWEQQEXSCZKY-AWEZNQCLSA-N 1 2 344.396 1.539 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(SCC#N)c1 ZINC000344995166 250023089 /nfs/dbraw/zinc/02/30/89/250023089.db2.gz LVOWEQQEXSCZKY-AWEZNQCLSA-N 1 2 344.396 1.539 20 30 EDEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000351853254 250066988 /nfs/dbraw/zinc/06/69/88/250066988.db2.gz DAJOXPMTQSEFID-UHFFFAOYSA-N 1 2 339.417 1.867 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000352253392 250077371 /nfs/dbraw/zinc/07/73/71/250077371.db2.gz WVCPNWLJBGXUTF-PMPSAXMXSA-N 1 2 337.464 1.027 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000365931547 250188416 /nfs/dbraw/zinc/18/84/16/250188416.db2.gz YJCXRJPTFKMFDG-LZLYRXPVSA-N 1 2 344.459 1.881 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000365931547 250188419 /nfs/dbraw/zinc/18/84/19/250188419.db2.gz YJCXRJPTFKMFDG-LZLYRXPVSA-N 1 2 344.459 1.881 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1)OCC ZINC000371054791 250211166 /nfs/dbraw/zinc/21/11/66/250211166.db2.gz MPZZXNALTPWSBX-QZTJIDSGSA-N 1 2 337.508 1.844 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000373230740 250235465 /nfs/dbraw/zinc/23/54/65/250235465.db2.gz RGAPLDTTXRNCTF-CVEARBPZSA-N 1 2 336.480 1.727 20 30 EDEDLO COc1cccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)n1 ZINC000374369057 250261730 /nfs/dbraw/zinc/26/17/30/250261730.db2.gz XQUXKURLOAEOMD-YJYMSZOUSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1cccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)n1 ZINC000374369057 250261734 /nfs/dbraw/zinc/26/17/34/250261734.db2.gz XQUXKURLOAEOMD-YJYMSZOUSA-N 1 2 334.379 1.936 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000374411611 250263872 /nfs/dbraw/zinc/26/38/72/250263872.db2.gz MCSUTMWAOOILGU-OAHLLOKOSA-N 1 2 345.399 1.161 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000374411611 250263877 /nfs/dbraw/zinc/26/38/77/250263877.db2.gz MCSUTMWAOOILGU-OAHLLOKOSA-N 1 2 345.399 1.161 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000377833851 250294182 /nfs/dbraw/zinc/29/41/82/250294182.db2.gz HJHLQBOXLOBJNY-HNNXBMFYSA-N 1 2 343.493 1.300 20 30 EDEDLO Cc1nc(C)n(C2C[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)n1 ZINC000424143161 252142004 /nfs/dbraw/zinc/14/20/04/252142004.db2.gz WDMRLEMZXQOERD-QGZVFWFLSA-N 1 2 341.415 1.258 20 30 EDEDLO C=CCn1cc(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)nn1 ZINC000424296026 252191409 /nfs/dbraw/zinc/19/14/09/252191409.db2.gz NXYSVFXNWSPYRY-INIZCTEOSA-N 1 2 347.444 1.279 20 30 EDEDLO CCOC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000489039143 255062376 /nfs/dbraw/zinc/06/23/76/255062376.db2.gz DULPPLXAHBHTQV-HNNXBMFYSA-N 1 2 330.432 1.810 20 30 EDEDLO C#CC[N@@H+](C)CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C ZINC000491287066 255120935 /nfs/dbraw/zinc/12/09/35/255120935.db2.gz KMIYUEDRRSIRNZ-MRXNPFEDSA-N 1 2 327.384 1.375 20 30 EDEDLO C#CC[N@H+](C)CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C ZINC000491287066 255120937 /nfs/dbraw/zinc/12/09/37/255120937.db2.gz KMIYUEDRRSIRNZ-MRXNPFEDSA-N 1 2 327.384 1.375 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2OC(F)(F)F)CC1 ZINC000490778093 255106256 /nfs/dbraw/zinc/10/62/56/255106256.db2.gz AHJGEWJSXGHAOX-UHFFFAOYSA-N 1 2 341.333 1.775 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(C)c(S(C)(=O)=O)c1 ZINC000490875764 255108051 /nfs/dbraw/zinc/10/80/51/255108051.db2.gz RWLTXIVUBWWMFT-OAHLLOKOSA-N 1 2 335.425 1.653 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(C)c(S(C)(=O)=O)c1 ZINC000490875764 255108052 /nfs/dbraw/zinc/10/80/52/255108052.db2.gz RWLTXIVUBWWMFT-OAHLLOKOSA-N 1 2 335.425 1.653 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)cc1F ZINC000491665137 255137268 /nfs/dbraw/zinc/13/72/68/255137268.db2.gz UPXDFIPYUNHZCV-CQSZACIVSA-N 1 2 335.766 1.341 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2nc(Cl)ccc2Cl)CC1 ZINC000491668423 255138293 /nfs/dbraw/zinc/13/82/93/255138293.db2.gz MRZARFYNQCUHDC-UHFFFAOYSA-N 1 2 341.242 1.255 20 30 EDEDLO C#C[C@H]1COCC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000491714374 255144686 /nfs/dbraw/zinc/14/46/86/255144686.db2.gz GJJLHWICPWTIMV-UONOGXRCSA-N 1 2 340.217 1.523 20 30 EDEDLO C#C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000491714374 255144687 /nfs/dbraw/zinc/14/46/87/255144687.db2.gz GJJLHWICPWTIMV-UONOGXRCSA-N 1 2 340.217 1.523 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC000491727885 255145857 /nfs/dbraw/zinc/14/58/57/255145857.db2.gz LSNAMJZVQQZSDI-AWEZNQCLSA-N 1 2 341.402 1.096 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC000491727885 255145858 /nfs/dbraw/zinc/14/58/58/255145858.db2.gz LSNAMJZVQQZSDI-AWEZNQCLSA-N 1 2 341.402 1.096 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CC[C@H](C)O3)n2CC(C)C)CC1 ZINC000491801417 255148081 /nfs/dbraw/zinc/14/80/81/255148081.db2.gz CNWDGFBWACYOPA-HOTGVXAUSA-N 1 2 331.464 1.929 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000288242522 533207707 /nfs/dbraw/zinc/20/77/07/533207707.db2.gz SGFULYDLXTYYCM-MJGOQNOKSA-N 1 2 343.471 1.983 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/C2CCCCC2)CC1 ZINC000117791739 221089453 /nfs/dbraw/zinc/08/94/53/221089453.db2.gz ZSMGCPRXHFQHMW-MDZDMXLPSA-N 1 2 331.460 1.407 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/C2CCCCC2)CC1 ZINC000117791739 221089454 /nfs/dbraw/zinc/08/94/54/221089454.db2.gz ZSMGCPRXHFQHMW-MDZDMXLPSA-N 1 2 331.460 1.407 20 30 EDEDLO CC(C)C(=O)N1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000118830321 221190834 /nfs/dbraw/zinc/19/08/34/221190834.db2.gz OPSGHBGGBHFZGH-UHFFFAOYSA-N 1 2 328.416 1.687 20 30 EDEDLO CC(C)C(=O)N1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000118830321 221190835 /nfs/dbraw/zinc/19/08/35/221190835.db2.gz OPSGHBGGBHFZGH-UHFFFAOYSA-N 1 2 328.416 1.687 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000118999239 221220681 /nfs/dbraw/zinc/22/06/81/221220681.db2.gz DQBNCOWUDCMTPP-OAHLLOKOSA-N 1 2 335.363 1.557 20 30 EDEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)c2cnc(C#N)cn2)on1 ZINC000328635587 258026606 /nfs/dbraw/zinc/02/66/06/258026606.db2.gz NLUVEDPEZLOPEH-JSGCOSHPSA-N 1 2 330.367 1.694 20 30 EDEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)c2cnc(C#N)cn2)on1 ZINC000328635587 258026607 /nfs/dbraw/zinc/02/66/07/258026607.db2.gz NLUVEDPEZLOPEH-JSGCOSHPSA-N 1 2 330.367 1.694 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000264321876 139397077 /nfs/dbraw/zinc/39/70/77/139397077.db2.gz VLZJAQYSFCPDHR-KBPBESRZSA-N 1 2 347.415 1.171 20 30 EDEDLO N#Cc1cccnc1N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000264312423 139396216 /nfs/dbraw/zinc/39/62/16/139396216.db2.gz CWLVGOKVUODVHW-UHFFFAOYSA-N 1 2 335.415 1.670 20 30 EDEDLO N#Cc1cccnc1N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000264312423 139396217 /nfs/dbraw/zinc/39/62/17/139396217.db2.gz CWLVGOKVUODVHW-UHFFFAOYSA-N 1 2 335.415 1.670 20 30 EDEDLO C[C@H](CC#N)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000123266209 533606644 /nfs/dbraw/zinc/60/66/44/533606644.db2.gz OBOAHDPGSWHPKX-SNVBAGLBSA-N 1 2 325.372 1.808 20 30 EDEDLO C[C@](O)(CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000270147829 140051825 /nfs/dbraw/zinc/05/18/25/140051825.db2.gz UUAWMGLPQJLBFW-IBGZPJMESA-N 1 2 327.428 1.754 20 30 EDEDLO N#Cc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCOCC2)c(Cl)c1 ZINC000271457207 140298193 /nfs/dbraw/zinc/29/81/93/140298193.db2.gz SPNFCTLZCHACQB-LBPRGKRZSA-N 1 2 338.795 1.026 20 30 EDEDLO C[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1CCO ZINC000345225914 143066771 /nfs/dbraw/zinc/06/67/71/143066771.db2.gz ZGMUHXRRLKEATP-CYBMUJFWSA-N 1 2 340.383 1.352 20 30 EDEDLO C[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1CCO ZINC000345225914 143066772 /nfs/dbraw/zinc/06/67/72/143066772.db2.gz ZGMUHXRRLKEATP-CYBMUJFWSA-N 1 2 340.383 1.352 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)c1 ZINC000352987433 149242055 /nfs/dbraw/zinc/24/20/55/149242055.db2.gz OGBOTAKRPJSFST-GOSISDBHSA-N 1 2 335.411 1.806 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355064236 150099441 /nfs/dbraw/zinc/09/94/41/150099441.db2.gz IBWLPCRIENERMU-MAUKXSAKSA-N 1 2 345.443 1.799 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355064236 150099442 /nfs/dbraw/zinc/09/94/42/150099442.db2.gz IBWLPCRIENERMU-MAUKXSAKSA-N 1 2 345.443 1.799 20 30 EDEDLO CCc1nnc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)n1C ZINC000360942677 152259816 /nfs/dbraw/zinc/25/98/16/152259816.db2.gz SCELWORVSOMILR-UHFFFAOYSA-N 1 2 325.420 1.356 20 30 EDEDLO CCc1nnc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)n1C ZINC000360942677 152259817 /nfs/dbraw/zinc/25/98/17/152259817.db2.gz SCELWORVSOMILR-UHFFFAOYSA-N 1 2 325.420 1.356 20 30 EDEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1 ZINC000129379822 286337721 /nfs/dbraw/zinc/33/77/21/286337721.db2.gz FEOHMLCYZKCVBW-RWJXEWCUSA-N 1 2 326.418 1.538 20 30 EDEDLO N#Cc1ccc(N2CCC[N@H+](Cc3nnc4n3CCOC4)CC2)cc1 ZINC000373862313 157039084 /nfs/dbraw/zinc/03/90/84/157039084.db2.gz HLJNXOXZXPDMOO-UHFFFAOYSA-N 1 2 338.415 1.392 20 30 EDEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3nnc4n3CCOC4)CC2)cc1 ZINC000373862313 157039088 /nfs/dbraw/zinc/03/90/88/157039088.db2.gz HLJNXOXZXPDMOO-UHFFFAOYSA-N 1 2 338.415 1.392 20 30 EDEDLO COC(=O)[C@H]1C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1(C)C ZINC000378000818 158052853 /nfs/dbraw/zinc/05/28/53/158052853.db2.gz PBTHKHYYWPXEHS-CYBMUJFWSA-N 1 2 333.388 1.838 20 30 EDEDLO COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1(C)C ZINC000378000818 158052855 /nfs/dbraw/zinc/05/28/55/158052855.db2.gz PBTHKHYYWPXEHS-CYBMUJFWSA-N 1 2 333.388 1.838 20 30 EDEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000408084881 158261953 /nfs/dbraw/zinc/26/19/53/158261953.db2.gz UPPNSQDXBZCPJB-WDEREUQCSA-N 1 2 338.389 1.180 20 30 EDEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000408084881 158261955 /nfs/dbraw/zinc/26/19/55/158261955.db2.gz UPPNSQDXBZCPJB-WDEREUQCSA-N 1 2 338.389 1.180 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929520 287223923 /nfs/dbraw/zinc/22/39/23/287223923.db2.gz PPDPFUSJEZDEJH-AWEZNQCLSA-N 1 2 346.456 1.796 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929520 287223924 /nfs/dbraw/zinc/22/39/24/287223924.db2.gz PPDPFUSJEZDEJH-AWEZNQCLSA-N 1 2 346.456 1.796 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000080975467 287310303 /nfs/dbraw/zinc/31/03/03/287310303.db2.gz IOPFHAJDBLSACL-QGZVFWFLSA-N 1 2 338.411 1.700 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000080975466 287310017 /nfs/dbraw/zinc/31/00/17/287310017.db2.gz IOPFHAJDBLSACL-KRWDZBQOSA-N 1 2 338.411 1.700 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000159347640 225200105 /nfs/dbraw/zinc/20/01/05/225200105.db2.gz ABQWCOMBDPOQIR-CQSZACIVSA-N 1 2 328.397 1.510 20 30 EDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000122093353 222013034 /nfs/dbraw/zinc/01/30/34/222013034.db2.gz GRDIORRSLFAERM-ZDUSSCGKSA-N 1 2 345.428 1.330 20 30 EDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000122093553 222013239 /nfs/dbraw/zinc/01/32/39/222013239.db2.gz GRDIORRSLFAERM-CYBMUJFWSA-N 1 2 345.428 1.330 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000289931364 270010300 /nfs/dbraw/zinc/01/03/00/270010300.db2.gz UWICDVMXLVNERF-UHFFFAOYSA-N 1 2 343.412 1.427 20 30 EDEDLO CC[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCS1 ZINC000289849474 266378413 /nfs/dbraw/zinc/37/84/13/266378413.db2.gz BELITHOKTZDUPW-CYBMUJFWSA-N 1 2 325.459 1.554 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCS1 ZINC000289849474 266378417 /nfs/dbraw/zinc/37/84/17/266378417.db2.gz BELITHOKTZDUPW-CYBMUJFWSA-N 1 2 325.459 1.554 20 30 EDEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC(=O)N1C ZINC000282403568 267048849 /nfs/dbraw/zinc/04/88/49/267048849.db2.gz XZMOYLBBWXIXAY-LLVKDONJSA-N 1 2 334.807 1.703 20 30 EDEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC(=O)N1C ZINC000282403568 267048854 /nfs/dbraw/zinc/04/88/54/267048854.db2.gz XZMOYLBBWXIXAY-LLVKDONJSA-N 1 2 334.807 1.703 20 30 EDEDLO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](C)[S@]1=O ZINC000528510235 267203293 /nfs/dbraw/zinc/20/32/93/267203293.db2.gz XSDGMZHCKGSSIA-YYVJSBQZSA-N 1 2 336.457 1.529 20 30 EDEDLO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@H](C)[S@]1=O ZINC000528510235 267203297 /nfs/dbraw/zinc/20/32/97/267203297.db2.gz XSDGMZHCKGSSIA-YYVJSBQZSA-N 1 2 336.457 1.529 20 30 EDEDLO Cc1cc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)c(C#N)cc1N(C)C ZINC000331235480 267333751 /nfs/dbraw/zinc/33/37/51/267333751.db2.gz LNULTOKUKXEQCZ-AWEZNQCLSA-N 1 2 345.447 1.979 20 30 EDEDLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000412073020 267390845 /nfs/dbraw/zinc/39/08/45/267390845.db2.gz KUGYCLJSFYMPCN-LLVKDONJSA-N 1 2 339.442 1.396 20 30 EDEDLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000412073020 267390849 /nfs/dbraw/zinc/39/08/49/267390849.db2.gz KUGYCLJSFYMPCN-LLVKDONJSA-N 1 2 339.442 1.396 20 30 EDEDLO N#Cc1cccc(CC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000530910832 268276130 /nfs/dbraw/zinc/27/61/30/268276130.db2.gz UDSCFENOUXSBJT-UHFFFAOYSA-N 1 2 336.395 1.649 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000275588534 268364356 /nfs/dbraw/zinc/36/43/56/268364356.db2.gz HSCONBYEIMHCRO-CQSZACIVSA-N 1 2 338.371 1.967 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000275588534 268364357 /nfs/dbraw/zinc/36/43/57/268364357.db2.gz HSCONBYEIMHCRO-CQSZACIVSA-N 1 2 338.371 1.967 20 30 EDEDLO Cc1noc([C@@H]2C[N@@H+](CCOc3ccc(C#N)cc3)CCN2C)n1 ZINC000284573397 274249352 /nfs/dbraw/zinc/24/93/52/274249352.db2.gz GRJKHAMVCZPIMO-INIZCTEOSA-N 1 2 327.388 1.617 20 30 EDEDLO Cc1noc([C@@H]2C[N@H+](CCOc3ccc(C#N)cc3)CCN2C)n1 ZINC000284573397 274249354 /nfs/dbraw/zinc/24/93/54/274249354.db2.gz GRJKHAMVCZPIMO-INIZCTEOSA-N 1 2 327.388 1.617 20 30 EDEDLO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000330703534 277334977 /nfs/dbraw/zinc/33/49/77/277334977.db2.gz ISRUWLPSOCPYLX-MRXNPFEDSA-N 1 2 347.463 1.853 20 30 EDEDLO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1 ZINC000330703534 277334978 /nfs/dbraw/zinc/33/49/78/277334978.db2.gz ISRUWLPSOCPYLX-MRXNPFEDSA-N 1 2 347.463 1.853 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1CC(=O)NC1(C#N)CCCCC1 ZINC000377710246 279117348 /nfs/dbraw/zinc/11/73/48/279117348.db2.gz WLPDQLIWFBUHSK-HZPDHXFCSA-N 1 2 334.464 1.124 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(C#N)c1C ZINC000352074408 294038703 /nfs/dbraw/zinc/03/87/03/294038703.db2.gz MWYCTFWUZPEUHA-TUKIKUTGSA-N 1 2 332.404 1.110 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C#N)c1C ZINC000352074408 294038707 /nfs/dbraw/zinc/03/87/07/294038707.db2.gz MWYCTFWUZPEUHA-TUKIKUTGSA-N 1 2 332.404 1.110 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261671412 301075369 /nfs/dbraw/zinc/07/53/69/301075369.db2.gz HADBFDCKDWOHLM-MRXNPFEDSA-N 1 2 342.424 1.597 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000425853733 447337259 /nfs/dbraw/zinc/33/72/59/447337259.db2.gz JEOIYAGGDHRGBU-BBWFWOEESA-N 1 2 337.464 1.330 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000425853733 447337263 /nfs/dbraw/zinc/33/72/63/447337263.db2.gz JEOIYAGGDHRGBU-BBWFWOEESA-N 1 2 337.464 1.330 20 30 EDEDLO Cc1cc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000422086152 447339710 /nfs/dbraw/zinc/33/97/10/447339710.db2.gz NXMHXAPMKDDCJY-UHFFFAOYSA-N 1 2 337.427 1.487 20 30 EDEDLO N#Cc1cccc(CC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000538698031 306032552 /nfs/dbraw/zinc/03/25/52/306032552.db2.gz DQRZZDCIGQEXOQ-GOSISDBHSA-N 1 2 343.427 1.050 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000545790155 306085773 /nfs/dbraw/zinc/08/57/73/306085773.db2.gz GJFRYSLVNSFOQO-DOMZBBRYSA-N 1 2 327.388 2.000 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000545790155 306085774 /nfs/dbraw/zinc/08/57/74/306085774.db2.gz GJFRYSLVNSFOQO-DOMZBBRYSA-N 1 2 327.388 2.000 20 30 EDEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccncc3C#N)CC2)C1 ZINC000547824768 306112590 /nfs/dbraw/zinc/11/25/90/306112590.db2.gz JUOOTEAIBMAYAL-DOTOQJQBSA-N 1 2 341.459 1.770 20 30 EDEDLO C[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C(N)=O)C1 ZINC000426271226 447412018 /nfs/dbraw/zinc/41/20/18/447412018.db2.gz MKRIHYHCXNAMFG-SMDDNHRTSA-N 1 2 325.372 1.694 20 30 EDEDLO C[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C(N)=O)C1 ZINC000426271226 447412024 /nfs/dbraw/zinc/41/20/24/447412024.db2.gz MKRIHYHCXNAMFG-SMDDNHRTSA-N 1 2 325.372 1.694 20 30 EDEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1COc2ccccc2O1 ZINC000011224008 441118872 /nfs/dbraw/zinc/11/88/72/441118872.db2.gz PYZWXHMVMNVBCC-RDTXWAMCSA-N 1 2 329.400 1.567 20 30 EDEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1COc2ccccc2O1 ZINC000011224008 441118874 /nfs/dbraw/zinc/11/88/74/441118874.db2.gz PYZWXHMVMNVBCC-RDTXWAMCSA-N 1 2 329.400 1.567 20 30 EDEDLO COCC[N@H+](CC(=O)Nc1cc(C)nn1C)Cc1ccc(C#N)cc1 ZINC000058397700 441190519 /nfs/dbraw/zinc/19/05/19/441190519.db2.gz XUAIOWMMJGVWBP-UHFFFAOYSA-N 1 2 341.415 1.687 20 30 EDEDLO COCC[N@@H+](CC(=O)Nc1cc(C)nn1C)Cc1ccc(C#N)cc1 ZINC000058397700 441190525 /nfs/dbraw/zinc/19/05/25/441190525.db2.gz XUAIOWMMJGVWBP-UHFFFAOYSA-N 1 2 341.415 1.687 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCC)CC(=O)Nc1ccccc1C ZINC000016589951 441228304 /nfs/dbraw/zinc/22/83/04/441228304.db2.gz HLYWISRCAMRSPJ-UHFFFAOYSA-N 1 2 346.431 1.657 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000016589951 441228309 /nfs/dbraw/zinc/22/83/09/441228309.db2.gz HLYWISRCAMRSPJ-UHFFFAOYSA-N 1 2 346.431 1.657 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc2c(c1)CCC2 ZINC000060794220 441258449 /nfs/dbraw/zinc/25/84/49/441258449.db2.gz RYWLYKUCGWSKBP-UHFFFAOYSA-N 1 2 341.455 1.792 20 30 EDEDLO COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000060893548 441261045 /nfs/dbraw/zinc/26/10/45/441261045.db2.gz CILORTLBMTZLBA-UHFFFAOYSA-N 1 2 344.415 1.328 20 30 EDEDLO C#CC[NH+](CC#C)CC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000072906814 441275574 /nfs/dbraw/zinc/27/55/74/441275574.db2.gz AQHMFTIJUDARKH-UHFFFAOYSA-N 1 2 334.423 1.674 20 30 EDEDLO CCCN(CCC)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108551 441294290 /nfs/dbraw/zinc/29/42/90/441294290.db2.gz PGQAXDUFQYJXAH-UHFFFAOYSA-N 1 2 329.448 1.724 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000062004451 441294411 /nfs/dbraw/zinc/29/44/11/441294411.db2.gz QIQBYPJIIWJACE-UHFFFAOYSA-N 1 2 345.362 1.504 20 30 EDEDLO CC(C)(O)CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000081648377 441298937 /nfs/dbraw/zinc/29/89/37/441298937.db2.gz UNAIDHQVWUYGPJ-UHFFFAOYSA-N 1 2 337.445 1.026 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc3cc(C)cnc32)CC1 ZINC000064432610 441378385 /nfs/dbraw/zinc/37/83/85/441378385.db2.gz MBTKUTUXNBTXDB-UHFFFAOYSA-N 1 2 343.452 1.873 20 30 EDEDLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000052147450 441435906 /nfs/dbraw/zinc/43/59/06/441435906.db2.gz KDTOOGVPDWARPV-UHFFFAOYSA-N 1 2 348.472 1.682 20 30 EDEDLO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000052147450 441435911 /nfs/dbraw/zinc/43/59/11/441435911.db2.gz KDTOOGVPDWARPV-UHFFFAOYSA-N 1 2 348.472 1.682 20 30 EDEDLO C#CC[N@@H+](CCOc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108866008 441478109 /nfs/dbraw/zinc/47/81/09/441478109.db2.gz MWFOZVNPDHZAPN-OAHLLOKOSA-N 1 2 337.441 1.586 20 30 EDEDLO C#CC[N@H+](CCOc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000108866008 441478115 /nfs/dbraw/zinc/47/81/15/441478115.db2.gz MWFOZVNPDHZAPN-OAHLLOKOSA-N 1 2 337.441 1.586 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000053144369 441500708 /nfs/dbraw/zinc/50/07/08/441500708.db2.gz VMGPHFPTBVNAOB-OAHLLOKOSA-N 1 2 348.443 1.977 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000053144369 441500710 /nfs/dbraw/zinc/50/07/10/441500710.db2.gz VMGPHFPTBVNAOB-OAHLLOKOSA-N 1 2 348.443 1.977 20 30 EDEDLO N#CCCCS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000111326622 441533758 /nfs/dbraw/zinc/53/37/58/441533758.db2.gz XMSCQDBNAZHBAC-INIZCTEOSA-N 1 2 337.445 1.111 20 30 EDEDLO N#CCCCS(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000111326622 441533761 /nfs/dbraw/zinc/53/37/61/441533761.db2.gz XMSCQDBNAZHBAC-INIZCTEOSA-N 1 2 337.445 1.111 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000053229051 441505729 /nfs/dbraw/zinc/50/57/29/441505729.db2.gz NBSOMJCBPDLZPI-INIZCTEOSA-N 1 2 349.406 1.819 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000053229051 441505733 /nfs/dbraw/zinc/50/57/33/441505733.db2.gz NBSOMJCBPDLZPI-INIZCTEOSA-N 1 2 349.406 1.819 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857718 441560406 /nfs/dbraw/zinc/56/04/06/441560406.db2.gz SUWALBLPQZUYAX-YOEHRIQHSA-N 1 2 333.436 1.235 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000112904481 441565046 /nfs/dbraw/zinc/56/50/46/441565046.db2.gz HKPFTPWUMTWLTF-UHFFFAOYSA-N 1 2 339.439 1.073 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000112904481 441565050 /nfs/dbraw/zinc/56/50/50/441565050.db2.gz HKPFTPWUMTWLTF-UHFFFAOYSA-N 1 2 339.439 1.073 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2O)CC1 ZINC000032831136 441574978 /nfs/dbraw/zinc/57/49/78/441574978.db2.gz MWIKBUYBTIUSFU-HNAYVOBHSA-N 1 2 344.459 1.957 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCCOCCC(C)C)cc1 ZINC000055046520 441614601 /nfs/dbraw/zinc/61/46/01/441614601.db2.gz NAICUFCODVKNBH-UHFFFAOYSA-N 1 2 337.420 1.511 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000067230637 441619220 /nfs/dbraw/zinc/61/92/20/441619220.db2.gz HYSSCXSHFGDELP-MRXNPFEDSA-N 1 2 337.464 1.124 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000067230637 441619225 /nfs/dbraw/zinc/61/92/25/441619225.db2.gz HYSSCXSHFGDELP-MRXNPFEDSA-N 1 2 337.464 1.124 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000067229653 441619587 /nfs/dbraw/zinc/61/95/87/441619587.db2.gz WIJSBAGELFKAEK-GOSISDBHSA-N 1 2 336.480 1.621 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000067229653 441619593 /nfs/dbraw/zinc/61/95/93/441619593.db2.gz WIJSBAGELFKAEK-GOSISDBHSA-N 1 2 336.480 1.621 20 30 EDEDLO CCc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)no1 ZINC000121458473 441708942 /nfs/dbraw/zinc/70/89/42/441708942.db2.gz ZAQSFYSGSUCXJX-UHFFFAOYSA-N 1 2 341.415 1.830 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cn1 ZINC000115018390 441709224 /nfs/dbraw/zinc/70/92/24/441709224.db2.gz HISQHJYDMGCNJY-GOSISDBHSA-N 1 2 336.395 1.757 20 30 EDEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000091897432 441751380 /nfs/dbraw/zinc/75/13/80/441751380.db2.gz GRNPALXSSVXPRI-OAHLLOKOSA-N 1 2 347.444 1.108 20 30 EDEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000091897432 441751385 /nfs/dbraw/zinc/75/13/85/441751385.db2.gz GRNPALXSSVXPRI-OAHLLOKOSA-N 1 2 347.444 1.108 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]CC(=O)Nc2cccc(F)c2)C(N)=O)cc1 ZINC000115598779 441763307 /nfs/dbraw/zinc/76/33/07/441763307.db2.gz HALUTLQPVOTZAX-INIZCTEOSA-N 1 2 326.331 1.452 20 30 EDEDLO CC[C@@H](O[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1)C(N)=O ZINC000159406801 441809903 /nfs/dbraw/zinc/80/99/03/441809903.db2.gz NFOYTMQAVQXLKF-OAHLLOKOSA-N 1 2 329.404 1.449 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](C/C=C/c2ccccc2OC)CC1 ZINC000122234303 441840642 /nfs/dbraw/zinc/84/06/42/441840642.db2.gz KWDMGIYYHSSBJY-SOFGYWHQSA-N 1 2 329.444 1.628 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(C/C=C/c2ccccc2OC)CC1 ZINC000122234303 441840649 /nfs/dbraw/zinc/84/06/49/441840649.db2.gz KWDMGIYYHSSBJY-SOFGYWHQSA-N 1 2 329.444 1.628 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000122250902 441841642 /nfs/dbraw/zinc/84/16/42/441841642.db2.gz JASRHTBVJNCKKB-UHFFFAOYSA-N 1 2 334.489 1.830 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000118835402 441905270 /nfs/dbraw/zinc/90/52/70/441905270.db2.gz HAPPEHQTDNBWKS-APWZRJJASA-N 1 2 343.475 1.815 20 30 EDEDLO C[C@H]1c2ccccc2O[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000117776362 441878388 /nfs/dbraw/zinc/87/83/88/441878388.db2.gz BUNOITAFTRWMKB-YJBOKZPZSA-N 1 2 343.427 1.626 20 30 EDEDLO CC(C)(C#N)CC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000119946435 441981452 /nfs/dbraw/zinc/98/14/52/441981452.db2.gz CHBFDKUXZCLNKB-UHFFFAOYSA-N 1 2 326.422 1.062 20 30 EDEDLO CC(=O)NC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000125107482 441985197 /nfs/dbraw/zinc/98/51/97/441985197.db2.gz SVTHQRINIYPNPZ-UHFFFAOYSA-N 1 2 334.807 1.751 20 30 EDEDLO C#CCOc1ccc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000120763215 442128555 /nfs/dbraw/zinc/12/85/55/442128555.db2.gz LZSLKFODYRBKPX-UHFFFAOYSA-N 1 2 327.428 1.095 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)Nc1ccccc1F ZINC000096971339 442152732 /nfs/dbraw/zinc/15/27/32/442152732.db2.gz OVPAVQISKSLPSM-UHFFFAOYSA-N 1 2 334.395 1.312 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(NC(=O)c2ccoc2)CC1)C1CC1 ZINC000166347507 442215838 /nfs/dbraw/zinc/21/58/38/442215838.db2.gz SVNDINLJZDLNDN-SFHVURJKSA-N 1 2 344.415 1.282 20 30 EDEDLO N#Cc1ccc(CN(C(=O)NCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000171284794 442338573 /nfs/dbraw/zinc/33/85/73/442338573.db2.gz UUKJXFIGBGCKGQ-UHFFFAOYSA-N 1 2 328.416 1.564 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000131233884 442367700 /nfs/dbraw/zinc/36/77/00/442367700.db2.gz BEZVEGSVONDSLD-UHFFFAOYSA-N 1 2 333.413 1.605 20 30 EDEDLO CN1CCO[C@H]2C[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@@H]21 ZINC000130877429 442359134 /nfs/dbraw/zinc/35/91/34/442359134.db2.gz MEZIWNRTGUZTDJ-GJZGRUSLSA-N 1 2 325.372 1.123 20 30 EDEDLO CN1CCO[C@H]2C[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@@H]21 ZINC000130877429 442359136 /nfs/dbraw/zinc/35/91/36/442359136.db2.gz MEZIWNRTGUZTDJ-GJZGRUSLSA-N 1 2 325.372 1.123 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@@H]21 ZINC000130877429 442359139 /nfs/dbraw/zinc/35/91/39/442359139.db2.gz MEZIWNRTGUZTDJ-GJZGRUSLSA-N 1 2 325.372 1.123 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@@H]21 ZINC000130877429 442359143 /nfs/dbraw/zinc/35/91/43/442359143.db2.gz MEZIWNRTGUZTDJ-GJZGRUSLSA-N 1 2 325.372 1.123 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(OCCCO)CC2)C1=O ZINC000154848840 442360236 /nfs/dbraw/zinc/36/02/36/442360236.db2.gz YAUQTPIFMSECRB-HNNXBMFYSA-N 1 2 349.456 1.588 20 30 EDEDLO N#CCCN(CC1CC1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000155802120 442428831 /nfs/dbraw/zinc/42/88/31/442428831.db2.gz NUWAZMHESSHBAN-UHFFFAOYSA-N 1 2 327.432 1.356 20 30 EDEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000156566966 442495575 /nfs/dbraw/zinc/49/55/75/442495575.db2.gz KCKGJNLNOMBSOB-UHFFFAOYSA-N 1 2 332.429 1.283 20 30 EDEDLO C=CCc1cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000157585038 442594791 /nfs/dbraw/zinc/59/47/91/442594791.db2.gz AUTVJOSVRGDRAI-AWEZNQCLSA-N 1 2 325.430 1.748 20 30 EDEDLO C=CCc1cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc(OC)c1O ZINC000157585038 442594798 /nfs/dbraw/zinc/59/47/98/442594798.db2.gz AUTVJOSVRGDRAI-AWEZNQCLSA-N 1 2 325.430 1.748 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000172887753 442562968 /nfs/dbraw/zinc/56/29/68/442562968.db2.gz MGFGHFQVLMPLQB-AWEZNQCLSA-N 1 2 335.423 1.643 20 30 EDEDLO C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C(N)=O)C1 ZINC000192797978 442687657 /nfs/dbraw/zinc/68/76/57/442687657.db2.gz BNDACBIZESLXMG-XYPHTWIQSA-N 1 2 340.427 1.639 20 30 EDEDLO C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C(N)=O)C1 ZINC000192797978 442687658 /nfs/dbraw/zinc/68/76/58/442687658.db2.gz BNDACBIZESLXMG-XYPHTWIQSA-N 1 2 340.427 1.639 20 30 EDEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000193134089 442716141 /nfs/dbraw/zinc/71/61/41/442716141.db2.gz ZYTASBVDCGJVEF-UHFFFAOYSA-N 1 2 336.395 1.920 20 30 EDEDLO C[C@H](C#N)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000182657040 442802357 /nfs/dbraw/zinc/80/23/57/442802357.db2.gz BPKICHAYCZXZBY-WBVHZDCISA-N 1 2 330.432 1.389 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)n1 ZINC000265586715 442834737 /nfs/dbraw/zinc/83/47/37/442834737.db2.gz XMWMOGCVQLIAEI-UHFFFAOYSA-N 1 2 327.432 1.478 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[NH2+]CC3)cc2[nH]c1=S ZINC000237998207 443191998 /nfs/dbraw/zinc/19/19/98/443191998.db2.gz RWONNTRWGLVTJC-UHFFFAOYSA-N 1 2 344.440 1.307 20 30 EDEDLO N#C[C@@H]1CN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCO1 ZINC000190906129 443207859 /nfs/dbraw/zinc/20/78/59/443207859.db2.gz KVVNDPJJBIHVAU-CQSZACIVSA-N 1 2 348.834 1.632 20 30 EDEDLO N#C[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCO1 ZINC000190906129 443207862 /nfs/dbraw/zinc/20/78/62/443207862.db2.gz KVVNDPJJBIHVAU-CQSZACIVSA-N 1 2 348.834 1.632 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185490564 443208078 /nfs/dbraw/zinc/20/80/78/443208078.db2.gz ZRBGRAXLHXLCFA-GJZGRUSLSA-N 1 2 340.431 1.926 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)CCN1CC(F)F ZINC000245761984 443248139 /nfs/dbraw/zinc/24/81/39/443248139.db2.gz QEGZDSKCUCYVFO-ZIAGYGMSSA-N 1 2 330.423 1.656 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)CCN1CC(F)F ZINC000245761984 443248141 /nfs/dbraw/zinc/24/81/41/443248141.db2.gz QEGZDSKCUCYVFO-ZIAGYGMSSA-N 1 2 330.423 1.656 20 30 EDEDLO C=CC[N@@H+](CCOC)CC(=O)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000191137162 443247312 /nfs/dbraw/zinc/24/73/12/443247312.db2.gz MQWNBCALDRCEHB-UHFFFAOYSA-N 1 2 333.432 1.526 20 30 EDEDLO C=CC[N@H+](CCOC)CC(=O)N(C)CC(=O)Nc1ccc(C)cc1 ZINC000191137162 443247315 /nfs/dbraw/zinc/24/73/15/443247315.db2.gz MQWNBCALDRCEHB-UHFFFAOYSA-N 1 2 333.432 1.526 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCc2ccccc2)CC1 ZINC000264124610 443250242 /nfs/dbraw/zinc/25/02/42/443250242.db2.gz FOGLFEXWHGJMHG-UHFFFAOYSA-N 1 2 341.455 1.293 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCc2ccccc2)CC1 ZINC000264124610 443250246 /nfs/dbraw/zinc/25/02/46/443250246.db2.gz FOGLFEXWHGJMHG-UHFFFAOYSA-N 1 2 341.455 1.293 20 30 EDEDLO N#C[C@@H]1CN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCO1 ZINC000264349341 443261221 /nfs/dbraw/zinc/26/12/21/443261221.db2.gz FETYIUHVYBPBDE-OAHLLOKOSA-N 1 2 329.404 1.506 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191429783 443293908 /nfs/dbraw/zinc/29/39/08/443293908.db2.gz ZNFXGVQAJLAAEC-OAHLLOKOSA-N 1 2 329.448 1.025 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191429783 443293911 /nfs/dbraw/zinc/29/39/11/443293911.db2.gz ZNFXGVQAJLAAEC-OAHLLOKOSA-N 1 2 329.448 1.025 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000264375548 443268520 /nfs/dbraw/zinc/26/85/20/443268520.db2.gz KAUNFBPMIIVKOV-CQSZACIVSA-N 1 2 334.441 1.340 20 30 EDEDLO Cn1c2ccccc2nc1CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000267030698 443318241 /nfs/dbraw/zinc/31/82/41/443318241.db2.gz BBADJUUFKVKEBF-UHFFFAOYSA-N 1 2 341.459 1.664 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278898605 443472428 /nfs/dbraw/zinc/47/24/28/443472428.db2.gz RJRLEMGRLWKQBX-KBPBESRZSA-N 1 2 334.395 1.824 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278898605 443472434 /nfs/dbraw/zinc/47/24/34/443472434.db2.gz RJRLEMGRLWKQBX-KBPBESRZSA-N 1 2 334.395 1.824 20 30 EDEDLO C=CCCCCCN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000278811352 443448844 /nfs/dbraw/zinc/44/88/44/443448844.db2.gz YZWOFCHZUZNGAO-UHFFFAOYSA-N 1 2 337.420 1.246 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267415883 443449727 /nfs/dbraw/zinc/44/97/27/443449727.db2.gz SQKPJPRLUGBVMZ-HNNXBMFYSA-N 1 2 327.432 1.476 20 30 EDEDLO CCc1nnc([C@H]2C[N@H+](CCOc3cccc(C#N)c3)CCO2)o1 ZINC000279095894 443512553 /nfs/dbraw/zinc/51/25/53/443512553.db2.gz IUSCZEUOQUPNDS-OAHLLOKOSA-N 1 2 328.372 1.956 20 30 EDEDLO CCc1nnc([C@H]2C[N@@H+](CCOc3cccc(C#N)c3)CCO2)o1 ZINC000279095894 443512558 /nfs/dbraw/zinc/51/25/58/443512558.db2.gz IUSCZEUOQUPNDS-OAHLLOKOSA-N 1 2 328.372 1.956 20 30 EDEDLO C#CCCN1CC[NH+](C[C@@H](O)COc2c(OC)cccc2OC)CC1 ZINC000271999928 443521134 /nfs/dbraw/zinc/52/11/34/443521134.db2.gz HDJAMOHCQZCKGR-MRXNPFEDSA-N 1 2 348.443 1.084 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000279783212 443627558 /nfs/dbraw/zinc/62/75/58/443627558.db2.gz UPKZGXIFLYXXJK-HNNXBMFYSA-N 1 2 344.459 1.928 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000279783212 443627560 /nfs/dbraw/zinc/62/75/60/443627560.db2.gz UPKZGXIFLYXXJK-HNNXBMFYSA-N 1 2 344.459 1.928 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)NC(=O)NCC(C)C)n1 ZINC000279816720 443630422 /nfs/dbraw/zinc/63/04/22/443630422.db2.gz YELHBGUDVBBBMS-CQSZACIVSA-N 1 2 333.436 1.209 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)NC(=O)NCC(C)C)n1 ZINC000279816720 443630424 /nfs/dbraw/zinc/63/04/24/443630424.db2.gz YELHBGUDVBBBMS-CQSZACIVSA-N 1 2 333.436 1.209 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000279497181 443594608 /nfs/dbraw/zinc/59/46/08/443594608.db2.gz NTYBVGHNQSLBCT-INIZCTEOSA-N 1 2 345.443 1.561 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000279696108 443619991 /nfs/dbraw/zinc/61/99/91/443619991.db2.gz IEKNLDBLLCBETI-AWEZNQCLSA-N 1 2 341.415 1.761 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccccc1OCC#N ZINC000291066615 443743445 /nfs/dbraw/zinc/74/34/45/443743445.db2.gz YGTKNQOLDDGVHL-GDBMZVCRSA-N 1 2 329.400 1.524 20 30 EDEDLO Cc1nc(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)ccc1C#N ZINC000291556161 443761304 /nfs/dbraw/zinc/76/13/04/443761304.db2.gz BPEIPZZAGJBWDW-OAHLLOKOSA-N 1 2 341.459 1.785 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2CC)CC1 ZINC000284088445 443764572 /nfs/dbraw/zinc/76/45/72/443764572.db2.gz SLACOGMZARNOLZ-UHFFFAOYSA-N 1 2 339.443 1.653 20 30 EDEDLO Cc1cccc(S(=O)(=O)CCCO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284484635 443776528 /nfs/dbraw/zinc/77/65/28/443776528.db2.gz SAQIIHAEKUIYIQ-CQSZACIVSA-N 1 2 326.418 1.627 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)[C@H]2CCCO2)cc1OC ZINC000284487089 443776732 /nfs/dbraw/zinc/77/67/32/443776732.db2.gz SFCHYGYSPZVGST-ZWNOBZJWSA-N 1 2 337.376 1.499 20 30 EDEDLO NC(Cc1ccccc1Cl)=[NH+]OC[C@H]1CCCS(=O)(=O)C1 ZINC000284524904 443777680 /nfs/dbraw/zinc/77/76/80/443777680.db2.gz UUBVPYFRBMFMTA-LLVKDONJSA-N 1 2 330.837 1.996 20 30 EDEDLO CC[C@@H](CC#N)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000284618110 443782447 /nfs/dbraw/zinc/78/24/47/443782447.db2.gz CUXRFPFTCCIQES-DXCKQFNASA-N 1 2 343.431 1.671 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3c(F)cccc3F)C2=O)C1=O ZINC000281321629 443879264 /nfs/dbraw/zinc/87/92/64/443879264.db2.gz LHZPXTDCWWZSIO-GJZGRUSLSA-N 1 2 349.381 1.789 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3c(F)cccc3F)C2=O)C1=O ZINC000281321629 443879266 /nfs/dbraw/zinc/87/92/66/443879266.db2.gz LHZPXTDCWWZSIO-GJZGRUSLSA-N 1 2 349.381 1.789 20 30 EDEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000293209546 443952523 /nfs/dbraw/zinc/95/25/23/443952523.db2.gz RELPFHJKZVVRGV-UHFFFAOYSA-N 1 2 349.456 1.365 20 30 EDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000293209546 443952527 /nfs/dbraw/zinc/95/25/27/443952527.db2.gz RELPFHJKZVVRGV-UHFFFAOYSA-N 1 2 349.456 1.365 20 30 EDEDLO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1nncn1C ZINC000285402512 443971374 /nfs/dbraw/zinc/97/13/74/443971374.db2.gz OVUZKUOSGDAOCG-OAHLLOKOSA-N 1 2 347.444 1.447 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000281677066 443976767 /nfs/dbraw/zinc/97/67/67/443976767.db2.gz ZGYOAHLVASHQQZ-SRABZTEZSA-N 1 2 348.447 1.921 20 30 EDEDLO C[C@H](c1nnnn1C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285598058 444043580 /nfs/dbraw/zinc/04/35/80/444043580.db2.gz WKZXKDLAVWXFBW-LLVKDONJSA-N 1 2 330.367 1.825 20 30 EDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000299347857 444024259 /nfs/dbraw/zinc/02/42/59/444024259.db2.gz QQZIJRZKRDZAOM-HUUCEWRRSA-N 1 2 328.412 1.838 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281865159 444026001 /nfs/dbraw/zinc/02/60/01/444026001.db2.gz OKNNLZYZSFYJDU-RYRKJORJSA-N 1 2 333.407 1.988 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281865159 444026004 /nfs/dbraw/zinc/02/60/04/444026004.db2.gz OKNNLZYZSFYJDU-RYRKJORJSA-N 1 2 333.407 1.988 20 30 EDEDLO N#Cc1csc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 ZINC000564413032 321130071 /nfs/dbraw/zinc/13/00/71/321130071.db2.gz CQTALYJZKINLRI-HNNXBMFYSA-N 1 2 337.408 1.777 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000285808099 444114713 /nfs/dbraw/zinc/11/47/13/444114713.db2.gz GGIOSFTWLWYLEY-VYDXJSESSA-N 1 2 342.443 1.680 20 30 EDEDLO C#CCO[C@@H](C)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000294649935 444133650 /nfs/dbraw/zinc/13/36/50/444133650.db2.gz YJIIVXHKJGMHDU-HNNXBMFYSA-N 1 2 333.407 1.102 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000282339717 444150865 /nfs/dbraw/zinc/15/08/65/444150865.db2.gz QZCLNURMUHZUNH-RDBSUJKOSA-N 1 2 325.438 1.245 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)C1CCCCC1 ZINC000301265577 444159615 /nfs/dbraw/zinc/15/96/15/444159615.db2.gz HOQFDUGEEBYYPO-UHFFFAOYSA-N 1 2 341.459 1.866 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000285974706 444166472 /nfs/dbraw/zinc/16/64/72/444166472.db2.gz BKUUJFJYOSPSQY-CYBMUJFWSA-N 1 2 327.363 1.574 20 30 EDEDLO C=CCn1c(-c2ccccc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000282238891 444123724 /nfs/dbraw/zinc/12/37/24/444123724.db2.gz JXDXMNILWFDUAF-UHFFFAOYSA-N 1 2 327.432 1.900 20 30 EDEDLO Cc1nsc(N2CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC2)c1C#N ZINC000289594883 444178592 /nfs/dbraw/zinc/17/85/92/444178592.db2.gz XJLMRJWLZSCYRQ-ZDUSSCGKSA-N 1 2 335.477 1.701 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNc1ccc(S(N)(=O)=O)cc1C#N ZINC000301752401 444188930 /nfs/dbraw/zinc/18/89/30/444188930.db2.gz JBEZHTYZKNVLPI-UHFFFAOYSA-N 1 2 333.417 1.670 20 30 EDEDLO N#C[C@@H]1CN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCO1 ZINC000297566975 444302149 /nfs/dbraw/zinc/30/21/49/444302149.db2.gz KZGRGVUSBDFORE-GFCCVEGCSA-N 1 2 345.790 1.960 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000339986987 444348573 /nfs/dbraw/zinc/34/85/73/444348573.db2.gz CYELQTCJHVFCDL-MRXNPFEDSA-N 1 2 339.480 1.274 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CCSC[C@@H]2CCO)c(C#N)c1C ZINC000330999886 444353364 /nfs/dbraw/zinc/35/33/64/444353364.db2.gz VUJSEPZKXANDQW-LBPRGKRZSA-N 1 2 339.486 1.975 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CCSC[C@@H]2CCO)c(C#N)c1C ZINC000330999886 444353370 /nfs/dbraw/zinc/35/33/70/444353370.db2.gz VUJSEPZKXANDQW-LBPRGKRZSA-N 1 2 339.486 1.975 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000297799888 444335771 /nfs/dbraw/zinc/33/57/71/444335771.db2.gz NICDVQXZHZFRQV-OAHLLOKOSA-N 1 2 330.432 1.321 20 30 EDEDLO CCN1CCN(C(=O)N[C@H](COC)C2CC2)C[C@H]1c1[nH+]ccn1C ZINC000328630623 444403196 /nfs/dbraw/zinc/40/31/96/444403196.db2.gz QATCZKVVNJKCAI-CABCVRRESA-N 1 2 335.452 1.438 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000328945914 444416002 /nfs/dbraw/zinc/41/60/02/444416002.db2.gz MDGUZKGTKRIQCV-AWEZNQCLSA-N 1 2 337.468 1.121 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CCN2CCNC2=O)CC1 ZINC000328945914 444416009 /nfs/dbraw/zinc/41/60/09/444416009.db2.gz MDGUZKGTKRIQCV-AWEZNQCLSA-N 1 2 337.468 1.121 20 30 EDEDLO CCn1cnnc1[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000328654088 444416598 /nfs/dbraw/zinc/41/65/98/444416598.db2.gz XDSUTEVOFJLJKQ-MRXNPFEDSA-N 1 2 327.388 1.622 20 30 EDEDLO CCn1cnnc1[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000328654088 444416601 /nfs/dbraw/zinc/41/66/01/444416601.db2.gz XDSUTEVOFJLJKQ-MRXNPFEDSA-N 1 2 327.388 1.622 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3ccc4c(c3)COC4)C[C@@H]21 ZINC000328866898 444381567 /nfs/dbraw/zinc/38/15/67/444381567.db2.gz GUCILBIHEBMYOF-DLBZAZTESA-N 1 2 331.416 1.536 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3ccc4c(c3)COC4)C[C@@H]21 ZINC000328866898 444381572 /nfs/dbraw/zinc/38/15/72/444381572.db2.gz GUCILBIHEBMYOF-DLBZAZTESA-N 1 2 331.416 1.536 20 30 EDEDLO CC(=O)NC[C@@H]1C[N@H+](CCc2c(C)nc3ccccn3c2=O)CCO1 ZINC000328895389 444391611 /nfs/dbraw/zinc/39/16/11/444391611.db2.gz WFYGNONCFFQGJS-OAHLLOKOSA-N 1 2 344.415 1.223 20 30 EDEDLO CC(=O)NC[C@@H]1C[N@@H+](CCc2c(C)nc3ccccn3c2=O)CCO1 ZINC000328895389 444391615 /nfs/dbraw/zinc/39/16/15/444391615.db2.gz WFYGNONCFFQGJS-OAHLLOKOSA-N 1 2 344.415 1.223 20 30 EDEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000328608958 444392467 /nfs/dbraw/zinc/39/24/67/444392467.db2.gz MHAHLFKLKHHRGK-CQSZACIVSA-N 1 2 348.428 1.799 20 30 EDEDLO CSc1cc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)ccn1 ZINC000328899679 444394116 /nfs/dbraw/zinc/39/41/16/444394116.db2.gz XPRCQIXCEFQGIM-KGLIPLIRSA-N 1 2 336.461 1.622 20 30 EDEDLO CSc1cc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)ccn1 ZINC000328899679 444394121 /nfs/dbraw/zinc/39/41/21/444394121.db2.gz XPRCQIXCEFQGIM-KGLIPLIRSA-N 1 2 336.461 1.622 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2nnc3n2CCCCC3)C1 ZINC000328752833 444450419 /nfs/dbraw/zinc/45/04/19/444450419.db2.gz DBCZGPHLVUQIIY-CYBMUJFWSA-N 1 2 343.435 1.642 20 30 EDEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCC2CCSCC2)CCO1 ZINC000331256594 444458690 /nfs/dbraw/zinc/45/86/90/444458690.db2.gz ZTBOMLRPCGAXKX-CYBMUJFWSA-N 1 2 344.481 1.211 20 30 EDEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCC2CCSCC2)CCO1 ZINC000331256594 444458694 /nfs/dbraw/zinc/45/86/94/444458694.db2.gz ZTBOMLRPCGAXKX-CYBMUJFWSA-N 1 2 344.481 1.211 20 30 EDEDLO CC(C)(CC#N)CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331325552 444465595 /nfs/dbraw/zinc/46/55/95/444465595.db2.gz MLLXRONICVCLAC-HNNXBMFYSA-N 1 2 343.493 1.300 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000329098757 444471975 /nfs/dbraw/zinc/47/19/75/444471975.db2.gz YYCJFYOQEGHWES-NWPKHEMWSA-N 1 2 334.464 1.468 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000329098757 444471978 /nfs/dbraw/zinc/47/19/78/444471978.db2.gz YYCJFYOQEGHWES-NWPKHEMWSA-N 1 2 334.464 1.468 20 30 EDEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1(C)C ZINC000329188200 444496089 /nfs/dbraw/zinc/49/60/89/444496089.db2.gz BLXHLOKTRXODED-LVQVYYBASA-N 1 2 339.480 1.757 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCC#Cc1cccc(F)c1 ZINC000338045600 444497852 /nfs/dbraw/zinc/49/78/52/444497852.db2.gz YSNDGMZOWILVQZ-UHFFFAOYSA-N 1 2 333.407 1.587 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCC#Cc1cccc(F)c1 ZINC000338045600 444497856 /nfs/dbraw/zinc/49/78/56/444497856.db2.gz YSNDGMZOWILVQZ-UHFFFAOYSA-N 1 2 333.407 1.587 20 30 EDEDLO N#Cc1c(F)cccc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000580403634 322045655 /nfs/dbraw/zinc/04/56/55/322045655.db2.gz NDNYZWVRZJTBER-UHFFFAOYSA-N 1 2 347.390 1.309 20 30 EDEDLO CCn1c2ccccc2n(CC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c1=O ZINC000329241257 444509935 /nfs/dbraw/zinc/50/99/35/444509935.db2.gz RNNAKZDZBYPFHL-CQSZACIVSA-N 1 2 345.447 1.025 20 30 EDEDLO CCn1c2ccccc2n(CC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c1=O ZINC000329241257 444509939 /nfs/dbraw/zinc/50/99/39/444509939.db2.gz RNNAKZDZBYPFHL-CQSZACIVSA-N 1 2 345.447 1.025 20 30 EDEDLO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000329244739 444511187 /nfs/dbraw/zinc/51/11/87/444511187.db2.gz QAMZUMIAZAGSJN-FCWSEJIYSA-N 1 2 337.464 1.365 20 30 EDEDLO C[C@@H]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)[C@H]1CO ZINC000329260947 444515406 /nfs/dbraw/zinc/51/54/06/444515406.db2.gz ATFRZHPUAJJFBD-SNPRPXQTSA-N 1 2 336.436 1.505 20 30 EDEDLO CCN1CCOC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000329406321 444566229 /nfs/dbraw/zinc/56/62/29/444566229.db2.gz XGIUKAHSXHVEII-ZWKOTPCHSA-N 1 2 347.459 1.737 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCN3CCOC[C@H]3C2)cc1OC ZINC000329416748 444571589 /nfs/dbraw/zinc/57/15/89/444571589.db2.gz GGJYQYSANHFUQP-UKRRQHHQSA-N 1 2 349.431 1.697 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCN3CCOC[C@H]3C2)cc1OC ZINC000329416748 444571591 /nfs/dbraw/zinc/57/15/91/444571591.db2.gz GGJYQYSANHFUQP-UKRRQHHQSA-N 1 2 349.431 1.697 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)CN3CC(=O)NC3=O)c[nH+]2)CCO1 ZINC000329420719 444572623 /nfs/dbraw/zinc/57/26/23/444572623.db2.gz FGYWXUOUNHXPSK-NSHDSACASA-N 1 2 347.375 1.155 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N[C@H](C)C2)CC1 ZINC000329445752 444582083 /nfs/dbraw/zinc/58/20/83/444582083.db2.gz NVWULNDUBMDBCF-AGIUHOORSA-N 1 2 336.436 1.393 20 30 EDEDLO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000329329723 444537607 /nfs/dbraw/zinc/53/76/07/444537607.db2.gz LGWOZPBSFIJKRY-ARFHVFGLSA-N 1 2 344.415 1.610 20 30 EDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000329356993 444547791 /nfs/dbraw/zinc/54/77/91/444547791.db2.gz FXSBAIZGWLOHDY-OAHLLOKOSA-N 1 2 347.463 1.947 20 30 EDEDLO CN1C(=O)COc2ccc([NH+]=C([O-])N3CCn4c[nH+]cc4C3)cc21 ZINC000329493419 444602640 /nfs/dbraw/zinc/60/26/40/444602640.db2.gz DXIVUJBYZANDRF-UHFFFAOYSA-N 1 2 327.344 1.300 20 30 EDEDLO COCC1(C#N)CCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000342274493 444606516 /nfs/dbraw/zinc/60/65/16/444606516.db2.gz WWBRDQGYVDNXAC-UHFFFAOYSA-N 1 2 330.388 1.416 20 30 EDEDLO N#CCN1CCC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329519883 444612833 /nfs/dbraw/zinc/61/28/33/444612833.db2.gz FGMCKGOPLBFXAU-NVXWUHKLSA-N 1 2 334.464 1.822 20 30 EDEDLO N#CCN1CCC[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329519883 444612835 /nfs/dbraw/zinc/61/28/35/444612835.db2.gz FGMCKGOPLBFXAU-NVXWUHKLSA-N 1 2 334.464 1.822 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000332971606 444616766 /nfs/dbraw/zinc/61/67/66/444616766.db2.gz FAJWOWYHKXCSKL-GJYPPUQNSA-N 1 2 349.475 1.987 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000332971606 444616770 /nfs/dbraw/zinc/61/67/70/444616770.db2.gz FAJWOWYHKXCSKL-GJYPPUQNSA-N 1 2 349.475 1.987 20 30 EDEDLO C[C@H](C#N)CN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)C1CC1 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COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)c(C(C)=O)c1 ZINC000414153490 447278322 /nfs/dbraw/zinc/27/83/22/447278322.db2.gz SCDDQKKKHZCXPR-AWEZNQCLSA-N 1 2 334.372 1.261 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c(C(C)=O)c1 ZINC000414153490 447278326 /nfs/dbraw/zinc/27/83/26/447278326.db2.gz SCDDQKKKHZCXPR-AWEZNQCLSA-N 1 2 334.372 1.261 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ncc(Cl)c(C)c2C#N)C1 ZINC000450540188 447520112 /nfs/dbraw/zinc/52/01/12/447520112.db2.gz OBPOYIVXGUYCKL-GFCCVEGCSA-N 1 2 336.823 2.212 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ncc(Cl)c(C)c2C#N)C1 ZINC000450540188 447520119 /nfs/dbraw/zinc/52/01/19/447520119.db2.gz OBPOYIVXGUYCKL-GFCCVEGCSA-N 1 2 336.823 2.212 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422435185 447551305 /nfs/dbraw/zinc/55/13/05/447551305.db2.gz RJKDEOXSMRJPBO-JKSUJKDBSA-N 1 2 331.416 1.412 20 30 EDEDLO CC(C)(CC#N)CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000457585658 447601947 /nfs/dbraw/zinc/60/19/47/447601947.db2.gz YHRDJKHEWVTWIC-UHFFFAOYSA-N 1 2 331.420 1.657 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000457670304 447613787 /nfs/dbraw/zinc/61/37/87/447613787.db2.gz XLHBJYJEUSLUJL-HOCLYGCPSA-N 1 2 348.447 1.433 20 30 EDEDLO CC(C)(CC#N)CS(=O)(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000451219042 447708986 /nfs/dbraw/zinc/70/89/86/447708986.db2.gz SOLTVASKLMGGPI-UHFFFAOYSA-N 1 2 346.456 2.506 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428468835 447703276 /nfs/dbraw/zinc/70/32/76/447703276.db2.gz QKLRYJBAGQDYJE-ZDUSSCGKSA-N 1 2 330.407 1.482 20 30 EDEDLO C[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000416702422 447674902 /nfs/dbraw/zinc/67/49/02/447674902.db2.gz YBBBKBDAPPLQQT-KDOFPFPSSA-N 1 2 342.443 1.956 20 30 EDEDLO CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459470610 447678153 /nfs/dbraw/zinc/67/81/53/447678153.db2.gz SRSMMRBFOWMXGX-LSDHHAIUSA-N 1 2 328.416 1.586 20 30 EDEDLO Cc1nnnn1-c1ccc(F)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000459471173 447679198 /nfs/dbraw/zinc/67/91/98/447679198.db2.gz VMRZLOPKFOLCGY-BXUZGUMPSA-N 1 2 343.366 1.330 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000451701496 447747802 /nfs/dbraw/zinc/74/78/02/447747802.db2.gz AEMUGZOUXAQNQJ-WBVHZDCISA-N 1 2 342.505 1.700 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000451701496 447747803 /nfs/dbraw/zinc/74/78/03/447747803.db2.gz AEMUGZOUXAQNQJ-WBVHZDCISA-N 1 2 342.505 1.700 20 30 EDEDLO CO[C@@H]1C[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000451869385 447769361 /nfs/dbraw/zinc/76/93/61/447769361.db2.gz RDLYEWZVEVFUPU-LSDHHAIUSA-N 1 2 349.456 1.616 20 30 EDEDLO CO[C@@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000451869385 447769367 /nfs/dbraw/zinc/76/93/67/447769367.db2.gz RDLYEWZVEVFUPU-LSDHHAIUSA-N 1 2 349.456 1.616 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451882838 447772725 /nfs/dbraw/zinc/77/27/25/447772725.db2.gz SPJNEDUMNKYEBF-CHWSQXEVSA-N 1 2 346.397 1.753 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451882838 447772729 /nfs/dbraw/zinc/77/27/29/447772729.db2.gz SPJNEDUMNKYEBF-CHWSQXEVSA-N 1 2 346.397 1.753 20 30 EDEDLO C[C@H](C#N)OCC[N@@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000496421235 447776815 /nfs/dbraw/zinc/77/68/15/447776815.db2.gz XEPWXSYYTZERBE-CYBMUJFWSA-N 1 2 325.409 1.237 20 30 EDEDLO C[C@H](C#N)OCC[N@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000496421235 447776817 /nfs/dbraw/zinc/77/68/17/447776817.db2.gz XEPWXSYYTZERBE-CYBMUJFWSA-N 1 2 325.409 1.237 20 30 EDEDLO CC(C)(C)OC(=O)N1CC(F)(F)CC1=CNNc1cncc[nH+]1 ZINC000496703602 447852023 /nfs/dbraw/zinc/85/20/23/447852023.db2.gz UGDYOQWDIDNTIP-JTQLQIEISA-N 1 2 327.335 2.519 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CON=Cc2ccc(OCC)cc2)CC1 ZINC000490801014 447896563 /nfs/dbraw/zinc/89/65/63/447896563.db2.gz ZXMJUPUOLFCCER-UHFFFAOYSA-N 1 2 329.400 1.213 20 30 EDEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000497159555 447905621 /nfs/dbraw/zinc/90/56/21/447905621.db2.gz GTZAEQLKDXSMLN-HNNXBMFYSA-N 1 2 330.388 1.659 20 30 EDEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000497159555 447905630 /nfs/dbraw/zinc/90/56/30/447905630.db2.gz GTZAEQLKDXSMLN-HNNXBMFYSA-N 1 2 330.388 1.659 20 30 EDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491165041 447944986 /nfs/dbraw/zinc/94/49/86/447944986.db2.gz HXRSNTQCNKUSNA-CQSZACIVSA-N 1 2 328.478 1.002 20 30 EDEDLO C#CC(C)(C)[N@H+](C)CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491165041 447944990 /nfs/dbraw/zinc/94/49/90/447944990.db2.gz HXRSNTQCNKUSNA-CQSZACIVSA-N 1 2 328.478 1.002 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2CC=C)CC1 ZINC000491103473 447924982 /nfs/dbraw/zinc/92/49/82/447924982.db2.gz PBWYCPLZMOUPBG-SFHVURJKSA-N 1 2 349.438 1.896 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2n[nH]cc2c1 ZINC000530837107 447968091 /nfs/dbraw/zinc/96/80/91/447968091.db2.gz INJHSDPJHKWIBC-UHFFFAOYSA-N 1 2 327.388 1.251 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC000491736888 448094033 /nfs/dbraw/zinc/09/40/33/448094033.db2.gz QGZBYGGGKOWYEL-HNNXBMFYSA-N 1 2 347.436 1.877 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC000491736888 448094040 /nfs/dbraw/zinc/09/40/40/448094040.db2.gz QGZBYGGGKOWYEL-HNNXBMFYSA-N 1 2 347.436 1.877 20 30 EDEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)C1 ZINC000531353416 448068318 /nfs/dbraw/zinc/06/83/18/448068318.db2.gz YNVRAPIYAJIAKJ-OLZOCXBDSA-N 1 2 343.305 1.597 20 30 EDEDLO C[N@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)C1 ZINC000531353416 448068322 /nfs/dbraw/zinc/06/83/22/448068322.db2.gz YNVRAPIYAJIAKJ-OLZOCXBDSA-N 1 2 343.305 1.597 20 30 EDEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000497080164 448182152 /nfs/dbraw/zinc/18/21/52/448182152.db2.gz SYJDYYWJDJCHGA-WMLDXEAASA-N 1 2 336.436 1.395 20 30 EDEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000497080164 448182160 /nfs/dbraw/zinc/18/21/60/448182160.db2.gz SYJDYYWJDJCHGA-WMLDXEAASA-N 1 2 336.436 1.395 20 30 EDEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC3(C#N)CCC3)CC2)C1 ZINC000582706813 448314469 /nfs/dbraw/zinc/31/44/69/448314469.db2.gz ULPIMYVOGSHDEQ-IRXDYDNUSA-N 1 2 332.492 1.802 20 30 EDEDLO C[C@@H](NC(=O)NCc1ccc(CC#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000515469308 448318511 /nfs/dbraw/zinc/31/85/11/448318511.db2.gz IYJFQNUZFCBKCJ-CABCVRRESA-N 1 2 330.432 1.661 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)C=Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000492759742 448282173 /nfs/dbraw/zinc/28/21/73/448282173.db2.gz CQVJFTJRZLHRQV-CDVVCGDMSA-N 1 2 335.367 1.606 20 30 EDEDLO N#CCC(=O)N1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000563361142 448296730 /nfs/dbraw/zinc/29/67/30/448296730.db2.gz CAZFWKSSFPBSLH-UHFFFAOYSA-N 1 2 339.399 1.727 20 30 EDEDLO N#CC1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000591381599 448350686 /nfs/dbraw/zinc/35/06/86/448350686.db2.gz BAOMDEVVHQCJFL-QGZVFWFLSA-N 1 2 342.443 1.880 20 30 EDEDLO N#CC1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000591381599 448350693 /nfs/dbraw/zinc/35/06/93/448350693.db2.gz BAOMDEVVHQCJFL-QGZVFWFLSA-N 1 2 342.443 1.880 20 30 EDEDLO C=CCn1cc(CNC(=O)NCc2cn3ccc(C)cc3[nH+]2)nn1 ZINC000577724181 448368910 /nfs/dbraw/zinc/36/89/10/448368910.db2.gz NPVZQRVCUQIJJO-UHFFFAOYSA-N 1 2 325.376 1.420 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000572613874 448422752 /nfs/dbraw/zinc/42/27/52/448422752.db2.gz POBMLKPOMVRNIF-AWEZNQCLSA-N 1 2 341.419 1.808 20 30 EDEDLO N#Cc1ncn(CC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)n1 ZINC000584568906 448571758 /nfs/dbraw/zinc/57/17/58/448571758.db2.gz PEVUWZMJTQSLNR-UHFFFAOYSA-N 1 2 347.382 1.988 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000567227836 448642790 /nfs/dbraw/zinc/64/27/90/448642790.db2.gz LERMNCWVJZQJMK-KFWWJZLASA-N 1 2 333.436 1.532 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592131131 448700795 /nfs/dbraw/zinc/70/07/95/448700795.db2.gz RLFDEUORQPFDKS-WFASDCNBSA-N 1 2 334.370 1.910 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592131131 448700796 /nfs/dbraw/zinc/70/07/96/448700796.db2.gz RLFDEUORQPFDKS-WFASDCNBSA-N 1 2 334.370 1.910 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149452 448710789 /nfs/dbraw/zinc/71/07/89/448710789.db2.gz PJYGQIYLRBIKNY-APPDUMDISA-N 1 2 344.440 1.786 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149452 448710793 /nfs/dbraw/zinc/71/07/93/448710793.db2.gz PJYGQIYLRBIKNY-APPDUMDISA-N 1 2 344.440 1.786 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000592151467 448713849 /nfs/dbraw/zinc/71/38/49/448713849.db2.gz PIICPOZTJXSJFI-AEFFLSMTSA-N 1 2 347.390 1.076 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000592151467 448713854 /nfs/dbraw/zinc/71/38/54/448713854.db2.gz PIICPOZTJXSJFI-AEFFLSMTSA-N 1 2 347.390 1.076 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000545919285 448808765 /nfs/dbraw/zinc/80/87/65/448808765.db2.gz PXBJPATYZPDQMK-UHFFFAOYSA-N 1 2 334.401 1.522 20 30 EDEDLO Cn1cc(Cl)c(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000568078516 448812347 /nfs/dbraw/zinc/81/23/47/448812347.db2.gz UTCIUBPYMKOMSE-ZDUSSCGKSA-N 1 2 334.807 1.669 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)n1 ZINC000587872741 448846347 /nfs/dbraw/zinc/84/63/47/448846347.db2.gz BYRNHJOACQDMQQ-AWEZNQCLSA-N 1 2 342.447 1.226 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCC1 ZINC000569130059 448968947 /nfs/dbraw/zinc/96/89/47/448968947.db2.gz WNGGSSZBQIYSLM-OAHLLOKOSA-N 1 2 341.477 1.197 20 30 EDEDLO COCc1ccc(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)cc1C#N ZINC000529815650 448969891 /nfs/dbraw/zinc/96/98/91/448969891.db2.gz FIGNLDFQDOSHTI-INIZCTEOSA-N 1 2 327.388 1.680 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000569236927 448988113 /nfs/dbraw/zinc/98/81/13/448988113.db2.gz FVPPXNWARPRUON-UKRRQHHQSA-N 1 2 347.444 1.435 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(C#N)CCC1)C(C)(C)CO ZINC000580214567 448942407 /nfs/dbraw/zinc/94/24/07/448942407.db2.gz ZLPPSUGYVGVURO-GFCCVEGCSA-N 1 2 340.449 1.093 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(Oc2ncccn2)c1 ZINC000568970593 448944886 /nfs/dbraw/zinc/94/48/86/448944886.db2.gz KFZLYVOBFQTADS-AWEZNQCLSA-N 1 2 328.372 1.854 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(Oc2ncccn2)c1 ZINC000568970593 448944890 /nfs/dbraw/zinc/94/48/90/448944890.db2.gz KFZLYVOBFQTADS-AWEZNQCLSA-N 1 2 328.372 1.854 20 30 EDEDLO CC1CCN(c2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cn2)CC1 ZINC000575049524 449022113 /nfs/dbraw/zinc/02/21/13/449022113.db2.gz FMSPCFMIUHQLBS-GOSISDBHSA-N 1 2 329.448 1.892 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@](C)(C3CC3)C2)CC1 ZINC000595627130 449088891 /nfs/dbraw/zinc/08/88/91/449088891.db2.gz VOXHXZNSBXUZJV-MJGOQNOKSA-N 1 2 348.491 1.180 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@](C)(C3CC3)C2)CC1 ZINC000595627130 449088893 /nfs/dbraw/zinc/08/88/93/449088893.db2.gz VOXHXZNSBXUZJV-MJGOQNOKSA-N 1 2 348.491 1.180 20 30 EDEDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000593062196 449119247 /nfs/dbraw/zinc/11/92/47/449119247.db2.gz BUUZTRCYBSIROV-UONOGXRCSA-N 1 2 325.206 1.902 20 30 EDEDLO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000593062196 449119251 /nfs/dbraw/zinc/11/92/51/449119251.db2.gz BUUZTRCYBSIROV-UONOGXRCSA-N 1 2 325.206 1.902 20 30 EDEDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000593067607 449121330 /nfs/dbraw/zinc/12/13/30/449121330.db2.gz XEPRYIKIIHAPKV-HZPDHXFCSA-N 1 2 326.400 1.634 20 30 EDEDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000593067607 449121333 /nfs/dbraw/zinc/12/13/33/449121333.db2.gz XEPRYIKIIHAPKV-HZPDHXFCSA-N 1 2 326.400 1.634 20 30 EDEDLO CC[C@H](C#N)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000593635283 449121400 /nfs/dbraw/zinc/12/14/00/449121400.db2.gz JTJJSJIDBWDUTL-MRXNPFEDSA-N 1 2 328.416 1.839 20 30 EDEDLO Cc1cc(N2C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC2=O)ccc1F ZINC000593154747 449154189 /nfs/dbraw/zinc/15/41/89/449154189.db2.gz BASPJEAEVKCWHQ-SCLBCKFNSA-N 1 2 346.406 1.447 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1C ZINC000611083503 449162061 /nfs/dbraw/zinc/16/20/61/449162061.db2.gz ATPIBUYURGIGNQ-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1C ZINC000611083503 449162064 /nfs/dbraw/zinc/16/20/64/449162064.db2.gz ATPIBUYURGIGNQ-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO N#Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)[C@@H]2CCSC2)cc1 ZINC000590388292 449143925 /nfs/dbraw/zinc/14/39/25/449143925.db2.gz LGVPTLHDPLXNCH-QGZVFWFLSA-N 1 2 345.468 1.838 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(C#N)cc(N(C)C)c2)[C@@H](C)CO1 ZINC000597993499 449178669 /nfs/dbraw/zinc/17/86/69/449178669.db2.gz FZFJFJLDZRHCCT-KBPBESRZSA-N 1 2 330.432 1.463 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cc(N(C)C)c2)[C@@H](C)CO1 ZINC000597993499 449178675 /nfs/dbraw/zinc/17/86/75/449178675.db2.gz FZFJFJLDZRHCCT-KBPBESRZSA-N 1 2 330.432 1.463 20 30 EDEDLO N#Cc1nc(NCc2cc[nH+]c(N3CCOCC3)c2)sc1Cl ZINC000590571528 449196267 /nfs/dbraw/zinc/19/62/67/449196267.db2.gz QFBNBEDPQCQGTB-UHFFFAOYSA-N 1 2 335.820 2.512 20 30 EDEDLO N#CCCN1CC[NH+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000611175078 449201173 /nfs/dbraw/zinc/20/11/73/449201173.db2.gz SISVADVORIWAHS-UHFFFAOYSA-N 1 2 326.444 1.709 20 30 EDEDLO N#Cc1cccc(CC(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000601887332 449205918 /nfs/dbraw/zinc/20/59/18/449205918.db2.gz CAPSFQQCEDWSFN-UHFFFAOYSA-N 1 2 335.411 1.278 20 30 EDEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000595826337 449188525 /nfs/dbraw/zinc/18/85/25/449188525.db2.gz NGBMXWCKJGENOA-OAHLLOKOSA-N 1 2 329.404 1.184 20 30 EDEDLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000595826337 449188532 /nfs/dbraw/zinc/18/85/32/449188532.db2.gz NGBMXWCKJGENOA-OAHLLOKOSA-N 1 2 329.404 1.184 20 30 EDEDLO CN1CCCC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1=O ZINC000601970976 449253044 /nfs/dbraw/zinc/25/30/44/449253044.db2.gz SCYGHLAERSUCGQ-MRXNPFEDSA-N 1 2 328.416 1.117 20 30 EDEDLO CN1CCCC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1=O ZINC000601970976 449253050 /nfs/dbraw/zinc/25/30/50/449253050.db2.gz SCYGHLAERSUCGQ-MRXNPFEDSA-N 1 2 328.416 1.117 20 30 EDEDLO C[C@@H](CN1CCOCC1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611372267 449275644 /nfs/dbraw/zinc/27/56/44/449275644.db2.gz NJDNOUQXIGRAFU-AWEZNQCLSA-N 1 2 345.447 1.266 20 30 EDEDLO CCN(C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)C#N ZINC000598360562 449362516 /nfs/dbraw/zinc/36/25/16/449362516.db2.gz XKERTPAJJGGCLD-OAHLLOKOSA-N 1 2 343.431 1.271 20 30 EDEDLO N#Cc1nc(Nc2ccn(CC[NH+]3CCOCC3)n2)sc1Cl ZINC000596122866 449374227 /nfs/dbraw/zinc/37/42/27/449374227.db2.gz VGCIIXYMXBWATK-UHFFFAOYSA-N 1 2 338.824 1.940 20 30 EDEDLO Cn1ncc(C#N)c1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000596124869 449375112 /nfs/dbraw/zinc/37/51/12/449375112.db2.gz HZJYDDOYGFEDTR-MRXNPFEDSA-N 1 2 345.834 1.801 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1nnn(-c2ccccc2)c1C(F)F ZINC000594024108 449329705 /nfs/dbraw/zinc/32/97/05/449329705.db2.gz BRSNZPQKRHQKPK-INIZCTEOSA-N 1 2 348.357 1.779 20 30 EDEDLO CC[C@@H]1CN(c2cc(C)[nH+]c(N3C[C@H](O)[C@@H](CC)C3)c2C#N)C[C@@H]1O ZINC000596179363 449399280 /nfs/dbraw/zinc/39/92/80/449399280.db2.gz PAGZHGOYUSKGTG-BODMPHMZSA-N 1 2 344.459 1.676 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@](C)(C#N)C1 ZINC000598420832 449386859 /nfs/dbraw/zinc/38/68/59/449386859.db2.gz SJBGGYKWSXPJNF-WMLDXEAASA-N 1 2 331.420 1.245 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@](C)(C#N)C1 ZINC000598420832 449386864 /nfs/dbraw/zinc/38/68/64/449386864.db2.gz SJBGGYKWSXPJNF-WMLDXEAASA-N 1 2 331.420 1.245 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594221156 449395979 /nfs/dbraw/zinc/39/59/79/449395979.db2.gz LZMJKNJIXXSFJP-CQSZACIVSA-N 1 2 327.432 1.219 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NC(C)(C)c2cccc(C#N)c2)C1 ZINC000596295535 449460467 /nfs/dbraw/zinc/46/04/67/449460467.db2.gz WJURLHZNEFLXLU-INIZCTEOSA-N 1 2 329.448 1.338 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NC(C)(C)c2cccc(C#N)c2)C1 ZINC000596295535 449460471 /nfs/dbraw/zinc/46/04/71/449460471.db2.gz WJURLHZNEFLXLU-INIZCTEOSA-N 1 2 329.448 1.338 20 30 EDEDLO CC(C)(C#N)CNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000602289097 449493593 /nfs/dbraw/zinc/49/35/93/449493593.db2.gz ZXCDZHRDDBBIBE-HNNXBMFYSA-N 1 2 331.420 1.131 20 30 EDEDLO CC(C)(C#N)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000602289097 449493595 /nfs/dbraw/zinc/49/35/95/449493595.db2.gz ZXCDZHRDDBBIBE-HNNXBMFYSA-N 1 2 331.420 1.131 20 30 EDEDLO C[C@H](O)CNc1cc(N2CCN(c3ccsc3C#N)CC2)nc[nH+]1 ZINC000596353414 449480886 /nfs/dbraw/zinc/48/08/86/449480886.db2.gz YESGBHQOVAZLAC-LBPRGKRZSA-N 1 2 344.444 1.529 20 30 EDEDLO C[C@H](O)CNc1cc(N2CCN(c3ccsc3C#N)CC2)[nH+]cn1 ZINC000596353414 449480891 /nfs/dbraw/zinc/48/08/91/449480891.db2.gz YESGBHQOVAZLAC-LBPRGKRZSA-N 1 2 344.444 1.529 20 30 EDEDLO CC(C)(CN1CCN(c2ccccc2C#N)CC1)[NH+]1CCOCC1 ZINC000602439336 449588042 /nfs/dbraw/zinc/58/80/42/449588042.db2.gz YEWZWJJTSMNLPV-UHFFFAOYSA-N 1 2 328.460 1.791 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cscn3)CC2)cc1 ZINC000596657914 449590505 /nfs/dbraw/zinc/59/05/05/449590505.db2.gz CLXWYKWQZOYSFZ-UHFFFAOYSA-N 1 2 326.425 1.902 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000596805981 449660257 /nfs/dbraw/zinc/66/02/57/449660257.db2.gz PAIVZSIGENJDRJ-UHFFFAOYSA-N 1 2 346.431 1.646 20 30 EDEDLO CC(C)(CN1CCN(c2cccc(C#N)n2)CC1)[NH+]1CCOCC1 ZINC000602616740 449707749 /nfs/dbraw/zinc/70/77/49/449707749.db2.gz NMWMEAZKANTOFB-UHFFFAOYSA-N 1 2 329.448 1.186 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000596945262 449729155 /nfs/dbraw/zinc/72/91/55/449729155.db2.gz GSDNUBQXNRHCLA-AEFFLSMTSA-N 1 2 343.475 1.604 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000596945262 449729159 /nfs/dbraw/zinc/72/91/59/449729159.db2.gz GSDNUBQXNRHCLA-AEFFLSMTSA-N 1 2 343.475 1.604 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599129994 449752475 /nfs/dbraw/zinc/75/24/75/449752475.db2.gz GNKHIQFGJQHZDK-KRWDZBQOSA-N 1 2 346.387 1.494 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599129994 449752480 /nfs/dbraw/zinc/75/24/80/449752480.db2.gz GNKHIQFGJQHZDK-KRWDZBQOSA-N 1 2 346.387 1.494 20 30 EDEDLO Cc1cn2ccc(NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)cc2[nH+]1 ZINC000594996008 449835350 /nfs/dbraw/zinc/83/53/50/449835350.db2.gz QCURNXFMMKMNJP-KRWDZBQOSA-N 1 2 325.372 1.734 20 30 EDEDLO C[N@@H+](Cc1nccn1C(F)F)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599265596 449844641 /nfs/dbraw/zinc/84/46/41/449844641.db2.gz FWASWLPXFMGQRW-LBPRGKRZSA-N 1 2 328.363 1.781 20 30 EDEDLO C[N@H+](Cc1nccn1C(F)F)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599265596 449844647 /nfs/dbraw/zinc/84/46/47/449844647.db2.gz FWASWLPXFMGQRW-LBPRGKRZSA-N 1 2 328.363 1.781 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)NCC2(c3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000602854152 449861349 /nfs/dbraw/zinc/86/13/49/449861349.db2.gz AFKGGGDQKCDEHR-IRXDYDNUSA-N 1 2 340.471 1.753 20 30 EDEDLO C[C@H]1C[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)N1CC#N ZINC000602856673 449864154 /nfs/dbraw/zinc/86/41/54/449864154.db2.gz MAMQORNRGWOSKN-STQMWFEESA-N 1 2 346.387 1.879 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)NCCc2ccc(Cl)cc2)C[C@H](C)N1CC#N ZINC000602856723 449864205 /nfs/dbraw/zinc/86/42/05/449864205.db2.gz MMVHWTPARINKPJ-GJZGRUSLSA-N 1 2 348.878 1.917 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCN1S(C)(=O)=O ZINC000597207118 449870528 /nfs/dbraw/zinc/87/05/28/449870528.db2.gz CMOFOTZJSFRSAQ-CQSZACIVSA-N 1 2 333.457 1.707 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCN1S(C)(=O)=O ZINC000597207118 449870534 /nfs/dbraw/zinc/87/05/34/449870534.db2.gz CMOFOTZJSFRSAQ-CQSZACIVSA-N 1 2 333.457 1.707 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1C#N ZINC000608915815 449950324 /nfs/dbraw/zinc/95/03/24/449950324.db2.gz LRHFPSLKZWKWIB-LBPRGKRZSA-N 1 2 332.429 1.691 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000595219605 449954733 /nfs/dbraw/zinc/95/47/33/449954733.db2.gz KVMQGFLSBFICSG-SNVBAGLBSA-N 1 2 327.344 1.116 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609110280 449961304 /nfs/dbraw/zinc/96/13/04/449961304.db2.gz ZOCKOKVUWOCAQU-MAUKXSAKSA-N 1 2 342.443 1.364 20 30 EDEDLO CN(CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602980037 449978455 /nfs/dbraw/zinc/97/84/55/449978455.db2.gz KTLMIULHHYIUMZ-DOTOQJQBSA-N 1 2 330.432 1.548 20 30 EDEDLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)nc1 ZINC000599449182 449984867 /nfs/dbraw/zinc/98/48/67/449984867.db2.gz LQXWRYXTBPZSBQ-LBPRGKRZSA-N 1 2 330.388 1.251 20 30 EDEDLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)nc1 ZINC000599449182 449984872 /nfs/dbraw/zinc/98/48/72/449984872.db2.gz LQXWRYXTBPZSBQ-LBPRGKRZSA-N 1 2 330.388 1.251 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccccc2CC#N)C1 ZINC000601496913 450016143 /nfs/dbraw/zinc/01/61/43/450016143.db2.gz YZUGFDNAPBMYKR-MRXNPFEDSA-N 1 2 335.411 1.889 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccccc2CC#N)C1 ZINC000601496913 450016147 /nfs/dbraw/zinc/01/61/47/450016147.db2.gz YZUGFDNAPBMYKR-MRXNPFEDSA-N 1 2 335.411 1.889 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000609631453 450077013 /nfs/dbraw/zinc/07/70/13/450077013.db2.gz FZYBWKBPTJIPHF-GOSISDBHSA-N 1 2 346.450 1.950 20 30 EDEDLO CCN(CC)c1ccc(CNC(=O)N2CCN(CCC#N)CC2)c[nH+]1 ZINC000601567843 450078623 /nfs/dbraw/zinc/07/86/23/450078623.db2.gz OSHQZJPFTZDGKP-UHFFFAOYSA-N 1 2 344.463 1.669 20 30 EDEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(C#N)nc2)CC1 ZINC000609641631 450079463 /nfs/dbraw/zinc/07/94/63/450079463.db2.gz VKWHNYPVOZDNJH-UHFFFAOYSA-N 1 2 349.394 1.593 20 30 EDEDLO Cc1nn(-c2ccccc2)c(Cn2cc([C@H]3COCC[NH2+]3)nn2)c1C#N ZINC000603184887 450124511 /nfs/dbraw/zinc/12/45/11/450124511.db2.gz BFSLRBQERKFCHC-QGZVFWFLSA-N 1 2 349.398 1.353 20 30 EDEDLO CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677889 450145419 /nfs/dbraw/zinc/14/54/19/450145419.db2.gz RBNJQSGPTAGBJJ-UHFFFAOYSA-N 1 2 343.427 1.569 20 30 EDEDLO CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677889 450145424 /nfs/dbraw/zinc/14/54/24/450145424.db2.gz RBNJQSGPTAGBJJ-UHFFFAOYSA-N 1 2 343.427 1.569 20 30 EDEDLO N#C[C@]1(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCSC1 ZINC000610157461 450149095 /nfs/dbraw/zinc/14/90/95/450149095.db2.gz BYGLIZIAJXEHMQ-DOTOQJQBSA-N 1 2 331.441 1.403 20 30 EDEDLO N#C[C@]1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCSC1 ZINC000610157461 450149096 /nfs/dbraw/zinc/14/90/96/450149096.db2.gz BYGLIZIAJXEHMQ-DOTOQJQBSA-N 1 2 331.441 1.403 20 30 EDEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccnc(C#N)c1 ZINC000599683149 450150346 /nfs/dbraw/zinc/15/03/46/450150346.db2.gz NVNSQLHQUPUQDR-UHFFFAOYSA-N 1 2 338.367 1.795 20 30 EDEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccnc(C#N)c1 ZINC000599683149 450150350 /nfs/dbraw/zinc/15/03/50/450150350.db2.gz NVNSQLHQUPUQDR-UHFFFAOYSA-N 1 2 338.367 1.795 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000610245404 450161091 /nfs/dbraw/zinc/16/10/91/450161091.db2.gz PWCGVGNKWFISGM-UHFFFAOYSA-N 1 2 335.411 1.531 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000603195512 450134299 /nfs/dbraw/zinc/13/42/99/450134299.db2.gz VPMHDWLTQLZVMW-KRWDZBQOSA-N 1 2 334.383 1.241 20 30 EDEDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000601738046 450203030 /nfs/dbraw/zinc/20/30/30/450203030.db2.gz NDOPOWBVQVBNCH-ROUUACIJSA-N 1 2 342.443 1.316 20 30 EDEDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000601738046 450203032 /nfs/dbraw/zinc/20/30/32/450203032.db2.gz NDOPOWBVQVBNCH-ROUUACIJSA-N 1 2 342.443 1.316 20 30 EDEDLO COc1cc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c(F)cc1C#N ZINC000599816164 450233241 /nfs/dbraw/zinc/23/32/41/450233241.db2.gz AWHPHPIKUGQRGD-NSHDSACASA-N 1 2 336.367 1.548 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(c2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603295659 450222140 /nfs/dbraw/zinc/22/21/40/450222140.db2.gz VYBWQSIJZZDENJ-UHFFFAOYSA-N 1 2 347.426 1.800 20 30 EDEDLO CC(C)(C)n1nnc(CC[NH+]2CCN(c3cnccc3C#N)CC2)n1 ZINC000595500225 450188052 /nfs/dbraw/zinc/18/80/52/450188052.db2.gz CFEJKHDZQDWRPZ-UHFFFAOYSA-N 1 2 340.435 1.059 20 30 EDEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000599742729 450190966 /nfs/dbraw/zinc/19/09/66/450190966.db2.gz OHARLZCXXWPVPV-LLVKDONJSA-N 1 2 340.330 1.612 20 30 EDEDLO C[N@H+]1CCOC[C@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000599742729 450190972 /nfs/dbraw/zinc/19/09/72/450190972.db2.gz OHARLZCXXWPVPV-LLVKDONJSA-N 1 2 340.330 1.612 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2COC)CC1 ZINC000603271770 450197604 /nfs/dbraw/zinc/19/76/04/450197604.db2.gz JSXYVLLLLGZZHA-OAHLLOKOSA-N 1 2 344.459 1.741 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000619716404 450317377 /nfs/dbraw/zinc/31/73/77/450317377.db2.gz BAAZJNMZKPPSMX-MRXNPFEDSA-N 1 2 334.416 1.549 20 30 EDEDLO N#Cc1ccc(CC(=O)NCc2nc(C[NH+]3CCCCC3)no2)cc1 ZINC000619872620 450349543 /nfs/dbraw/zinc/34/95/43/450349543.db2.gz CPPUFPPBCRSUIG-UHFFFAOYSA-N 1 2 339.399 1.786 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCCC1 ZINC000613938179 450366524 /nfs/dbraw/zinc/36/65/24/450366524.db2.gz QQIMQTZYFXYXQB-OAHLLOKOSA-N 1 2 341.477 1.197 20 30 EDEDLO N#CCCN1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000619511189 450496167 /nfs/dbraw/zinc/49/61/67/450496167.db2.gz XMUMRGLJZJPXDO-UHFFFAOYSA-N 1 2 330.823 1.952 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1=O ZINC000635891019 451336034 /nfs/dbraw/zinc/33/60/34/451336034.db2.gz DYVYTZZEIIFZHS-NEPJUHHUSA-N 1 2 344.337 1.622 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](C)c2ccccc2Cl)nn1 ZINC000640843922 451631131 /nfs/dbraw/zinc/63/11/31/451631131.db2.gz DCXAASNZYCXWMD-ZDUSSCGKSA-N 1 2 345.834 1.922 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(Cc2ccc(C)o2)C2CC2)nn1 ZINC000640981671 451719533 /nfs/dbraw/zinc/71/95/33/451719533.db2.gz SCAUHJBNWKJSPU-UHFFFAOYSA-N 1 2 341.415 1.484 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2cc(C)cc(C)c2)nn1 ZINC000641204498 451780696 /nfs/dbraw/zinc/78/06/96/451780696.db2.gz XJIMAUXNNDQAEV-QGZVFWFLSA-N 1 2 328.416 1.448 20 30 EDEDLO C=CCCn1cc(C[NH+]2CCC(C3N=NC(=O)N3CC)CC2)nn1 ZINC000653586921 452027609 /nfs/dbraw/zinc/02/76/09/452027609.db2.gz IKMUFMLBMAAHHO-UHFFFAOYSA-N 1 2 331.424 1.551 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H](CC)c2cccc(S(N)(=O)=O)c2)nn1 ZINC000653604771 452037522 /nfs/dbraw/zinc/03/75/22/452037522.db2.gz XWRUZSOLBHFYQD-INIZCTEOSA-N 1 2 349.460 1.743 20 30 EDEDLO NC(=O)[C@@]1([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)CCOC1 ZINC000653842416 452144976 /nfs/dbraw/zinc/14/49/76/452144976.db2.gz LTIMHKJIMNGOLD-CQSZACIVSA-N 1 2 328.290 1.171 20 30 EDEDLO C=C[C@H](CO)[NH2+]Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000662163983 452904522 /nfs/dbraw/zinc/90/45/22/452904522.db2.gz RMYPCNNKFYVBBK-SNVBAGLBSA-N 1 2 341.314 1.983 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nn1 ZINC000656435918 453177529 /nfs/dbraw/zinc/17/75/29/453177529.db2.gz HBBWQQNABHPULK-QGZVFWFLSA-N 1 2 341.390 1.398 20 30 EDEDLO C=C[C@H](CO)Nc1nc[nH+]c(N[C@H](C=C)CO)c1Br ZINC000664605344 453240729 /nfs/dbraw/zinc/24/07/29/453240729.db2.gz MWTRIJCMKNFXRJ-RKDXNWHRSA-N 1 2 329.198 1.157 20 30 EDEDLO C=CCn1cc(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)nn1 ZINC000648869544 453346226 /nfs/dbraw/zinc/34/62/26/453346226.db2.gz XTSLUXZOYKVVQO-STQMWFEESA-N 1 2 349.435 1.868 20 30 EDEDLO C=CCn1cc(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)nn1 ZINC000648869544 453346233 /nfs/dbraw/zinc/34/62/33/453346233.db2.gz XTSLUXZOYKVVQO-STQMWFEESA-N 1 2 349.435 1.868 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000663359121 453777551 /nfs/dbraw/zinc/77/75/51/453777551.db2.gz DANOCSGOXLOKEB-UHFFFAOYSA-N 1 2 349.438 1.912 20 30 EDEDLO CCc1ccccc1NC(=O)CN1CC[NH+](CC#CCOC)CC1 ZINC000677476861 487095315 /nfs/dbraw/zinc/09/53/15/487095315.db2.gz IIXQMAYFEZTFAV-UHFFFAOYSA-N 1 2 329.444 1.455 20 30 EDEDLO COCC#CC[NH+]1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000677818123 487174711 /nfs/dbraw/zinc/17/47/11/487174711.db2.gz ZTJKIDFXNCHIBI-UHFFFAOYSA-N 1 2 332.400 1.111 20 30 EDEDLO C=CC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000678205258 487265373 /nfs/dbraw/zinc/26/53/73/487265373.db2.gz VKYBQVREXLAOJU-QGZVFWFLSA-N 1 2 348.468 1.754 20 30 EDEDLO C=CC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000678205258 487265375 /nfs/dbraw/zinc/26/53/75/487265375.db2.gz VKYBQVREXLAOJU-QGZVFWFLSA-N 1 2 348.468 1.754 20 30 EDEDLO C=CCOc1ccccc1C[N@@H+]1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000678335339 487291333 /nfs/dbraw/zinc/29/13/33/487291333.db2.gz XLDHLFZBLOSFFE-HNNXBMFYSA-N 1 2 329.400 1.720 20 30 EDEDLO C=CCOc1ccccc1C[N@H+]1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000678335339 487291335 /nfs/dbraw/zinc/29/13/35/487291335.db2.gz XLDHLFZBLOSFFE-HNNXBMFYSA-N 1 2 329.400 1.720 20 30 EDEDLO C=CCOCC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000679462971 487428970 /nfs/dbraw/zinc/42/89/70/487428970.db2.gz NPSJISCCVFAGSQ-LBPRGKRZSA-N 1 2 331.185 1.907 20 30 EDEDLO N#CC1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000105078618 534584385 /nfs/dbraw/zinc/58/43/85/534584385.db2.gz QDMXKMFXTWIDSS-GOSISDBHSA-N 1 2 342.443 1.833 20 30 EDEDLO N#CC1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000105078618 534584391 /nfs/dbraw/zinc/58/43/91/534584391.db2.gz QDMXKMFXTWIDSS-GOSISDBHSA-N 1 2 342.443 1.833 20 30 EDEDLO N#Cc1cccc(OCCCCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178624338 534811410 /nfs/dbraw/zinc/81/14/10/534811410.db2.gz TYJGQIAOTDHVBV-QGZVFWFLSA-N 1 2 342.443 1.223 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](CNC(C)=O)C2)cc1OC ZINC000179713689 526870155 /nfs/dbraw/zinc/87/01/55/526870155.db2.gz JCZWXRGASHGFPF-INIZCTEOSA-N 1 2 334.416 1.597 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](CNC(C)=O)C2)cc1OC ZINC000179713689 526870157 /nfs/dbraw/zinc/87/01/57/526870157.db2.gz JCZWXRGASHGFPF-INIZCTEOSA-N 1 2 334.416 1.597 20 30 EDEDLO C=CC1CC[NH+]([C@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000111258574 526983906 /nfs/dbraw/zinc/98/39/06/526983906.db2.gz GLCAVMBVYCYTOV-ZBFHGGJFSA-N 1 2 342.505 1.699 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000173802447 527109916 /nfs/dbraw/zinc/10/99/16/527109916.db2.gz NHCUDOHHUVHKAL-UHFFFAOYSA-N 1 2 335.379 1.634 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000125289974 527930008 /nfs/dbraw/zinc/93/00/08/527930008.db2.gz BULOZBMXNUWMBW-SFHVURJKSA-N 1 2 329.448 1.254 20 30 EDEDLO Cc1nc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c2ccccn12 ZINC000741211032 579401260 /nfs/dbraw/zinc/40/12/60/579401260.db2.gz ZXZJUNMBWRMLQI-UHFFFAOYSA-N 1 2 341.415 1.331 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000741788614 579428764 /nfs/dbraw/zinc/42/87/64/579428764.db2.gz WXKLLOCYGNWYJB-AWEZNQCLSA-N 1 2 326.400 1.514 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000741788614 579428765 /nfs/dbraw/zinc/42/87/65/579428765.db2.gz WXKLLOCYGNWYJB-AWEZNQCLSA-N 1 2 326.400 1.514 20 30 EDEDLO C#CCSCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000743918285 579493952 /nfs/dbraw/zinc/49/39/52/579493952.db2.gz SFGJBYZKSPQPFP-UHFFFAOYSA-N 1 2 330.413 1.303 20 30 EDEDLO N#CCn1c(CN2CCC(n3cc[nH+]c3)CC2)nc2ccccc2c1=O ZINC000731847652 578681381 /nfs/dbraw/zinc/68/13/81/578681381.db2.gz LHWVGKFMHXNWHV-UHFFFAOYSA-N 1 2 348.410 1.954 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000733993448 578792604 /nfs/dbraw/zinc/79/26/04/578792604.db2.gz TYZGUIVUJYMIFI-SJORKVTESA-N 1 2 325.412 1.396 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000733993448 578792605 /nfs/dbraw/zinc/79/26/05/578792605.db2.gz TYZGUIVUJYMIFI-SJORKVTESA-N 1 2 325.412 1.396 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2cccnc2N=NC2CCCC2)CC1 ZINC000734750290 578835448 /nfs/dbraw/zinc/83/54/48/578835448.db2.gz OTRUIDZQUPFFEF-UHFFFAOYSA-N 1 2 337.449 1.360 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000735691254 578911466 /nfs/dbraw/zinc/91/14/66/578911466.db2.gz NWDZXDUIGJUCLB-MRXNPFEDSA-N 1 2 343.410 1.672 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCc2ccc(F)cc2-c2nn[nH]n2)cc1 ZINC000737073506 579045199 /nfs/dbraw/zinc/04/51/99/579045199.db2.gz CLOZQJKHXPLBJD-UHFFFAOYSA-N 1 2 342.334 1.852 20 30 EDEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000739424412 579203989 /nfs/dbraw/zinc/20/39/89/579203989.db2.gz JEJVLKCNENDONA-SNAWJCMRSA-N 1 2 347.396 1.327 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000739916463 579267783 /nfs/dbraw/zinc/26/77/83/579267783.db2.gz YEIJIUNSLYZEQA-RDJZCZTQSA-N 1 2 339.399 1.776 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000739916463 579267785 /nfs/dbraw/zinc/26/77/85/579267785.db2.gz YEIJIUNSLYZEQA-RDJZCZTQSA-N 1 2 339.399 1.776 20 30 EDEDLO C#CCCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000745297861 579543815 /nfs/dbraw/zinc/54/38/15/579543815.db2.gz NECQKGLWTBUMRJ-HNNXBMFYSA-N 1 2 334.489 1.749 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)Oc3cc(F)ccc32)CC1 ZINC000748823664 579702613 /nfs/dbraw/zinc/70/26/13/579702613.db2.gz CLQILNVDEMIFJX-CQSZACIVSA-N 1 2 331.391 1.190 20 30 EDEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000749793601 579739833 /nfs/dbraw/zinc/73/98/33/579739833.db2.gz WVHOTBZHAYCINB-HNNXBMFYSA-N 1 2 345.428 1.003 20 30 EDEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000749793601 579739834 /nfs/dbraw/zinc/73/98/34/579739834.db2.gz WVHOTBZHAYCINB-HNNXBMFYSA-N 1 2 345.428 1.003 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2)OCCCO3)CC1 ZINC000749874738 579742691 /nfs/dbraw/zinc/74/26/91/579742691.db2.gz WDGFNQIVTDPBEH-UHFFFAOYSA-N 1 2 330.384 1.004 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(=O)n4ccccc4n3)CC2)cn1 ZINC000750015604 579748574 /nfs/dbraw/zinc/74/85/74/579748574.db2.gz GEBJNXZZIMPNQB-UHFFFAOYSA-N 1 2 346.394 1.283 20 30 EDEDLO COC(=O)[C@H](OC(=O)CCc1ccc(N)[nH+]c1)c1cccc(C#N)c1 ZINC000751457600 579808262 /nfs/dbraw/zinc/80/82/62/579808262.db2.gz ZUVBJZVRNGGWAE-QGZVFWFLSA-N 1 2 339.351 1.926 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](CC(=O)OC)C2)c(O)c(OC)c1 ZINC000754738379 579910518 /nfs/dbraw/zinc/91/05/18/579910518.db2.gz AOVAQKHUKWRBCZ-HNNXBMFYSA-N 1 2 335.400 1.893 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](CC(=O)OC)C2)c(O)c(OC)c1 ZINC000754738379 579910519 /nfs/dbraw/zinc/91/05/19/579910519.db2.gz AOVAQKHUKWRBCZ-HNNXBMFYSA-N 1 2 335.400 1.893 20 30 EDEDLO N#CCn1c(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)nc2ccccc2c1=O ZINC000755203510 579922714 /nfs/dbraw/zinc/92/27/14/579922714.db2.gz BUQVQRMGXVYZKA-UHFFFAOYSA-N 1 2 347.378 1.579 20 30 EDEDLO N#CCn1c(C[N@H+]2CCc3cc[nH]c(=O)c3C2)nc2ccccc2c1=O ZINC000755203510 579922715 /nfs/dbraw/zinc/92/27/15/579922715.db2.gz BUQVQRMGXVYZKA-UHFFFAOYSA-N 1 2 347.378 1.579 20 30 EDEDLO CCCCCN=Nc1ncccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000755729537 579933646 /nfs/dbraw/zinc/93/36/46/579933646.db2.gz DSJGOVXCJIITPB-UHFFFAOYSA-N 1 2 339.465 1.606 20 30 EDEDLO COC(=O)c1cccc(C[NH+]2CCC(c3nc[nH]n3)CC2)c1C#N ZINC000756541818 579951941 /nfs/dbraw/zinc/95/19/41/579951941.db2.gz DLRBKRXSISEJIM-UHFFFAOYSA-N 1 2 325.372 1.843 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)o2)CC1 ZINC000759009732 579996678 /nfs/dbraw/zinc/99/66/78/579996678.db2.gz KDOSWNJWTACBRJ-UHFFFAOYSA-N 1 2 347.234 1.372 20 30 EDEDLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000764201218 580115413 /nfs/dbraw/zinc/11/54/13/580115413.db2.gz HVWPDGHJTXHYGG-AWEZNQCLSA-N 1 2 346.431 1.398 20 30 EDEDLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000764201218 580115414 /nfs/dbraw/zinc/11/54/14/580115414.db2.gz HVWPDGHJTXHYGG-AWEZNQCLSA-N 1 2 346.431 1.398 20 30 EDEDLO C#CCOCC[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000764408649 580119309 /nfs/dbraw/zinc/11/93/09/580119309.db2.gz UBRFBHHRGYLNJZ-ZDUSSCGKSA-N 1 2 325.206 1.557 20 30 EDEDLO C#CCOCC[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000764408649 580119310 /nfs/dbraw/zinc/11/93/10/580119310.db2.gz UBRFBHHRGYLNJZ-ZDUSSCGKSA-N 1 2 325.206 1.557 20 30 EDEDLO CCOC(=O)CC[N@H+](Cn1cc2c(c(C#N)c1=O)CCC2)C1CC1 ZINC000766613952 580170203 /nfs/dbraw/zinc/17/02/03/580170203.db2.gz XYXQVIDBPSKEBL-UHFFFAOYSA-N 1 2 329.400 1.584 20 30 EDEDLO CCOC(=O)CC[N@@H+](Cn1cc2c(c(C#N)c1=O)CCC2)C1CC1 ZINC000766613952 580170204 /nfs/dbraw/zinc/17/02/04/580170204.db2.gz XYXQVIDBPSKEBL-UHFFFAOYSA-N 1 2 329.400 1.584 20 30 EDEDLO C#C[C@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000775541103 580393160 /nfs/dbraw/zinc/39/31/60/580393160.db2.gz VXQJBCPFDPMYHQ-FUHWJXTLSA-N 1 2 343.427 1.821 20 30 EDEDLO C#C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)[C@H]1CCCO1 ZINC000775793473 580400890 /nfs/dbraw/zinc/40/08/90/580400890.db2.gz LDCAVNXQXDRJDA-CZUORRHYSA-N 1 2 341.411 1.521 20 30 EDEDLO CC(C)OCC(N)=[NH+]O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000778593201 580468161 /nfs/dbraw/zinc/46/81/61/580468161.db2.gz XXTSVWWNDSZTCP-HNNXBMFYSA-N 1 2 330.388 1.977 20 30 EDEDLO COc1ccc(O)c(/C=N/[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000782879827 580587441 /nfs/dbraw/zinc/58/74/41/580587441.db2.gz IKQMLWQXJLNFEV-BBJIBYMTSA-N 1 2 342.399 1.744 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000782971684 580589784 /nfs/dbraw/zinc/58/97/84/580589784.db2.gz QVLVXYXDUSTCGP-UHFFFAOYSA-N 1 2 344.346 1.168 20 30 EDEDLO CCc1ccc(N2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000784342498 580618905 /nfs/dbraw/zinc/61/89/05/580618905.db2.gz VVKDBECMFWYREO-UHFFFAOYSA-N 1 2 326.444 1.933 20 30 EDEDLO C#CCOCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000784552993 580623781 /nfs/dbraw/zinc/62/37/81/580623781.db2.gz HHLRUHGXMIFDNK-UHFFFAOYSA-N 1 2 344.459 1.979 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000787309747 580692527 /nfs/dbraw/zinc/69/25/27/580692527.db2.gz DDWRSRXXOKYYSJ-CQSZACIVSA-N 1 2 345.422 1.684 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000787309747 580692528 /nfs/dbraw/zinc/69/25/28/580692528.db2.gz DDWRSRXXOKYYSJ-CQSZACIVSA-N 1 2 345.422 1.684 20 30 EDEDLO CS(=O)(=O)[C@H]1CCCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000788441462 580721353 /nfs/dbraw/zinc/72/13/53/580721353.db2.gz KCRMGYHAFFWSSW-LBPRGKRZSA-N 1 2 334.405 1.417 20 30 EDEDLO CC(N=Nc1ncnc2c1c(Br)nn2C)c1[nH]cc[nH+]1 ZINC000790164840 580763766 /nfs/dbraw/zinc/76/37/66/580763766.db2.gz DHSSCGFXGPSJMU-UHFFFAOYSA-N 1 2 335.169 1.685 20 30 EDEDLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000793592883 580848551 /nfs/dbraw/zinc/84/85/51/580848551.db2.gz UOUQGKMLWOVUOW-KBXCAEBGSA-N 1 2 342.399 1.539 20 30 EDEDLO CC[C@]1(C)CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000793592883 580848552 /nfs/dbraw/zinc/84/85/52/580848552.db2.gz UOUQGKMLWOVUOW-KBXCAEBGSA-N 1 2 342.399 1.539 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+]([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000795892199 580940502 /nfs/dbraw/zinc/94/05/02/580940502.db2.gz AJNCIGTWSFBFPX-KRWDZBQOSA-N 1 2 331.847 1.694 20 30 EDEDLO CC(=[NH+]NC(=S)NC[C@@H]1CCCO1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799105695 581016851 /nfs/dbraw/zinc/01/68/51/581016851.db2.gz HCJFMLMGGDWGTK-NSHDSACASA-N 1 2 337.405 1.544 20 30 EDEDLO CCN1C(=O)CN(C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O ZINC000799943569 581039434 /nfs/dbraw/zinc/03/94/34/581039434.db2.gz KRQBHLGPOAPHSQ-UHFFFAOYSA-N 1 2 327.388 1.180 20 30 EDEDLO CCOc1ccccc1C(=O)N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801912872 581087825 /nfs/dbraw/zinc/08/78/25/581087825.db2.gz HGISKKBXWHERFZ-OAHLLOKOSA-N 1 2 331.416 1.772 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)COc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893565685 590965146 /nfs/dbraw/zinc/96/51/46/590965146.db2.gz HRBJCGVVUQZVPB-RHSMWYFYSA-N 1 2 332.356 1.116 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)COc2ccc(C#N)cc2)C[N@H+]1C ZINC000893565685 590965148 /nfs/dbraw/zinc/96/51/48/590965148.db2.gz HRBJCGVVUQZVPB-RHSMWYFYSA-N 1 2 332.356 1.116 20 30 EDEDLO O=C(NCC#C[C@H]1CCCCO1)c1cccn1CC[NH+]1CCOCC1 ZINC000891115783 590965362 /nfs/dbraw/zinc/96/53/62/590965362.db2.gz HLPRGOAGLSCSIC-QGZVFWFLSA-N 1 2 345.443 1.123 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@H]2COC(C)(C)O2)[C@@H](C#N)C1 ZINC000893575153 590978007 /nfs/dbraw/zinc/97/80/07/590978007.db2.gz DCCASYUSHSAWKO-AVGNSLFASA-N 1 2 325.409 1.487 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000891605768 591146545 /nfs/dbraw/zinc/14/65/45/591146545.db2.gz HUGULYYAKGYQTG-KRWDZBQOSA-N 1 2 325.412 1.328 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000891605768 591146547 /nfs/dbraw/zinc/14/65/47/591146547.db2.gz HUGULYYAKGYQTG-KRWDZBQOSA-N 1 2 325.412 1.328 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000891605765 591146625 /nfs/dbraw/zinc/14/66/25/591146625.db2.gz HTHIPLLCUJVCPR-LBPRGKRZSA-N 1 2 337.782 1.631 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000891605765 591146628 /nfs/dbraw/zinc/14/66/28/591146628.db2.gz HTHIPLLCUJVCPR-LBPRGKRZSA-N 1 2 337.782 1.631 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCC)c2)C1 ZINC000891607045 591147546 /nfs/dbraw/zinc/14/75/46/591147546.db2.gz LKRACCWDIIAKRG-OAHLLOKOSA-N 1 2 329.400 1.238 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCC)c2)C1 ZINC000891607045 591147547 /nfs/dbraw/zinc/14/75/47/591147547.db2.gz LKRACCWDIIAKRG-OAHLLOKOSA-N 1 2 329.400 1.238 20 30 EDEDLO C#CCCOc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000840523046 591226098 /nfs/dbraw/zinc/22/60/98/591226098.db2.gz OJAGIEOTTCLWFE-UHFFFAOYSA-N 1 2 330.428 1.929 20 30 EDEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898498552 591381884 /nfs/dbraw/zinc/38/18/84/591381884.db2.gz KDWOCHLMCVHQHD-DYVFJYSZSA-N 1 2 341.427 1.798 20 30 EDEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898498552 591381888 /nfs/dbraw/zinc/38/18/88/591381888.db2.gz KDWOCHLMCVHQHD-DYVFJYSZSA-N 1 2 341.427 1.798 20 30 EDEDLO C#CCSCC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000896304305 591414504 /nfs/dbraw/zinc/41/45/04/591414504.db2.gz LAVZHNUEHNPNJU-QGZVFWFLSA-N 1 2 332.469 1.413 20 30 EDEDLO Cc1nn(-c2ccccc2F)cc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895065899 591560427 /nfs/dbraw/zinc/56/04/27/591560427.db2.gz GMMMSXJRCFJBCH-UHFFFAOYSA-N 1 2 341.390 1.878 20 30 EDEDLO O=C1[C@H]([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CCCN1O ZINC000895158479 591625465 /nfs/dbraw/zinc/62/54/65/591625465.db2.gz KAYZHEWDOFEBHE-CQSZACIVSA-N 1 2 339.823 1.646 20 30 EDEDLO CN(C)c1cccnc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000899967408 591848139 /nfs/dbraw/zinc/84/81/39/591848139.db2.gz JQNLNWFMJJGRHL-UHFFFAOYSA-N 1 2 349.438 1.977 20 30 EDEDLO COc1ccc2c(c1)C(=O)N(C[NH+]1CCC3(CC1)CC(=O)C=CO3)C2 ZINC000902600656 592022454 /nfs/dbraw/zinc/02/24/54/592022454.db2.gz YNVMEBCOGRLRBV-UHFFFAOYSA-N 1 2 342.395 1.946 20 30 EDEDLO CC[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cccc(C#N)c1O ZINC000903291824 592152027 /nfs/dbraw/zinc/15/20/27/592152027.db2.gz KSXXQFURBCETPC-OAHLLOKOSA-N 1 2 337.445 1.730 20 30 EDEDLO COC(=O)Cn1cc(C(=O)/C=C\c2ccc(N(C)C(C)C)[nH+]c2)nn1 ZINC000905085272 592391272 /nfs/dbraw/zinc/39/12/72/592391272.db2.gz RJMYEDLHLPVYOD-ALCCZGGFSA-N 1 2 343.387 1.587 20 30 EDEDLO C=CCC1(C(=O)NCc2c[nH+]cn2C)CN(C(=O)OC(C)(C)C)C1 ZINC000908261965 592411395 /nfs/dbraw/zinc/41/13/95/592411395.db2.gz TTZISOIDWFSMET-UHFFFAOYSA-N 1 2 334.420 1.850 20 30 EDEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000907041446 592476501 /nfs/dbraw/zinc/47/65/01/592476501.db2.gz DMULBLCSTIPVOS-JSGCOSHPSA-N 1 2 331.401 1.422 20 30 EDEDLO N#CC1(NC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000907241010 592563797 /nfs/dbraw/zinc/56/37/97/592563797.db2.gz VZFQGWZLSBMOLB-RYQLBKOJSA-N 1 2 337.423 1.886 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc2c1OC(C)(C)C[C@H]2O ZINC000905602265 592574930 /nfs/dbraw/zinc/57/49/30/592574930.db2.gz CXTGDUSRSPNWCH-CZUORRHYSA-N 1 2 333.432 1.899 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc2c1OC(C)(C)C[C@H]2O ZINC000905602265 592574932 /nfs/dbraw/zinc/57/49/32/592574932.db2.gz CXTGDUSRSPNWCH-CZUORRHYSA-N 1 2 333.432 1.899 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cc1 ZINC000907263018 592575574 /nfs/dbraw/zinc/57/55/74/592575574.db2.gz RETBWSRKTKOYRX-DLBZAZTESA-N 1 2 348.468 1.446 20 30 EDEDLO C#CC[N@@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)C(C)C ZINC000905749162 592628782 /nfs/dbraw/zinc/62/87/82/592628782.db2.gz NHIHDDVPVCPSJJ-LJQANCHMSA-N 1 2 343.427 1.849 20 30 EDEDLO C#CC[N@H+](CN1C(=O)N[C@](C)(Cc2ccc(OC)cc2)C1=O)C(C)C ZINC000905749162 592628784 /nfs/dbraw/zinc/62/87/84/592628784.db2.gz NHIHDDVPVCPSJJ-LJQANCHMSA-N 1 2 343.427 1.849 20 30 EDEDLO C=CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)C(=O)OC ZINC000905779705 592636775 /nfs/dbraw/zinc/63/67/75/592636775.db2.gz NMPMKMJSTUFGMZ-LESCRADOSA-N 1 2 343.427 1.841 20 30 EDEDLO C#C[C@@H](NC(=O)c1ccc(NCc2[nH+]ccn2C)cc1)[C@@H]1CCCO1 ZINC000907484367 592668444 /nfs/dbraw/zinc/66/84/44/592668444.db2.gz BBVGWWZYUKUVGZ-SJORKVTESA-N 1 2 338.411 1.943 20 30 EDEDLO N#Cc1sccc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000906014976 592727516 /nfs/dbraw/zinc/72/75/16/592727516.db2.gz XGNNHNYAERRXJT-UHFFFAOYSA-N 1 2 328.397 1.781 20 30 EDEDLO CCOC1CC(CNC(=O)c2ccsc2C#N)([NH+]2CCOCC2)C1 ZINC000907774235 592785609 /nfs/dbraw/zinc/78/56/09/592785609.db2.gz JXAYEEFVPCODNE-UHFFFAOYSA-N 1 2 349.456 1.619 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000907798009 592798946 /nfs/dbraw/zinc/79/89/46/592798946.db2.gz IGBUPBQOPPMOMR-KGLIPLIRSA-N 1 2 346.412 1.835 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000912392989 593092367 /nfs/dbraw/zinc/09/23/67/593092367.db2.gz QNJNSWFOIJJQCY-USQNJUIBSA-N 1 2 330.428 1.959 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000912392989 593092368 /nfs/dbraw/zinc/09/23/68/593092368.db2.gz QNJNSWFOIJJQCY-USQNJUIBSA-N 1 2 330.428 1.959 20 30 EDEDLO Cc1cc(F)ccc1N[NH+]=Cc1c(=O)n(C)c(=O)n(C)c1N(C)C ZINC000807979730 593213570 /nfs/dbraw/zinc/21/35/70/593213570.db2.gz XFXAGLZMFAGJME-UHFFFAOYSA-N 1 2 333.367 1.044 20 30 EDEDLO CC(=O)NCC[C@@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000808219684 593241777 /nfs/dbraw/zinc/24/17/77/593241777.db2.gz XINDTKKWHJVQFQ-HNNXBMFYSA-N 1 2 342.443 1.404 20 30 EDEDLO CC(=O)NCC[C@@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000808219684 593241779 /nfs/dbraw/zinc/24/17/79/593241779.db2.gz XINDTKKWHJVQFQ-HNNXBMFYSA-N 1 2 342.443 1.404 20 30 EDEDLO COc1ncnc(N)c1C=[NH+]N[C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000802714894 593271665 /nfs/dbraw/zinc/27/16/65/593271665.db2.gz VBJKZQNPBNREFO-NSHDSACASA-N 1 2 343.387 1.741 20 30 EDEDLO Cc1cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C#N)c[nH+]1 ZINC000819910812 593776191 /nfs/dbraw/zinc/77/61/91/593776191.db2.gz LPJBQPSWEJUHMN-MRXNPFEDSA-N 1 2 349.438 1.997 20 30 EDEDLO CC(C)C#CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000820226124 593800635 /nfs/dbraw/zinc/80/06/35/593800635.db2.gz DPWIPMOQWSBPBV-UHFFFAOYSA-N 1 2 327.428 1.865 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000821011225 593945020 /nfs/dbraw/zinc/94/50/20/593945020.db2.gz QXLOARXVOXEXAP-OAHLLOKOSA-N 1 2 327.388 1.354 20 30 EDEDLO C#CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000824601421 594045994 /nfs/dbraw/zinc/04/59/94/594045994.db2.gz JLHHSPBGOWZNOQ-KRWDZBQOSA-N 1 2 328.437 1.864 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000824601421 594045997 /nfs/dbraw/zinc/04/59/97/594045997.db2.gz JLHHSPBGOWZNOQ-KRWDZBQOSA-N 1 2 328.437 1.864 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2sc(Br)nc2C)CC1 ZINC000825077830 594126908 /nfs/dbraw/zinc/12/69/08/594126908.db2.gz JDRXGNZFBBKIRV-UHFFFAOYSA-N 1 2 342.262 1.995 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000825544794 594199381 /nfs/dbraw/zinc/19/93/81/594199381.db2.gz NRRFAVFWRMCMDF-ZDUSSCGKSA-N 1 2 345.424 1.708 20 30 EDEDLO C#CCN(CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)OC(C)(C)C ZINC000825738661 594234714 /nfs/dbraw/zinc/23/47/14/594234714.db2.gz RKQSLKUTEWRCOG-CQSZACIVSA-N 1 2 346.431 1.986 20 30 EDEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@@H+]1CC(=O)NCCC#N ZINC000830189593 594351708 /nfs/dbraw/zinc/35/17/08/594351708.db2.gz KZRKVRPWRAIQLM-MGPQQGTHSA-N 1 2 338.452 1.734 20 30 EDEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@H+]1CC(=O)NCCC#N ZINC000830189593 594351710 /nfs/dbraw/zinc/35/17/10/594351710.db2.gz KZRKVRPWRAIQLM-MGPQQGTHSA-N 1 2 338.452 1.734 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@@H]3C)n2CC2CC2)CC1 ZINC000831313264 594605645 /nfs/dbraw/zinc/60/56/45/594605645.db2.gz IPYGKQRPIPJNMC-GDBMZVCRSA-N 1 2 329.448 1.336 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CCn4cc[nH+]c43)C2)c(F)c1 ZINC000833273149 594818254 /nfs/dbraw/zinc/81/82/54/594818254.db2.gz YYYHETUPWBIFNU-DZGCQCFKSA-N 1 2 339.374 1.981 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836496132 594969593 /nfs/dbraw/zinc/96/95/93/594969593.db2.gz CFMQWHIWGFJKDO-KFWWJZLASA-N 1 2 344.415 1.962 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836496132 594969596 /nfs/dbraw/zinc/96/95/96/594969596.db2.gz CFMQWHIWGFJKDO-KFWWJZLASA-N 1 2 344.415 1.962 20 30 EDEDLO COC(=O)c1cccc(CO[NH+]=C(N)COC[C@H]2CCCO2)c1C#N ZINC000842658441 595161699 /nfs/dbraw/zinc/16/16/99/595161699.db2.gz SNBGJNVWBJDNBI-CYBMUJFWSA-N 1 2 347.371 1.539 20 30 EDEDLO N#Cc1cccc([C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CCO2)c1 ZINC000844136594 595283136 /nfs/dbraw/zinc/28/31/36/595283136.db2.gz GTHLVWOYMGBGSR-SJLPKXTDSA-N 1 2 336.395 1.917 20 30 EDEDLO Cc1cc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)on1 ZINC000844370804 595332724 /nfs/dbraw/zinc/33/27/24/595332724.db2.gz UHTUNFLPFNCBPJ-SWLSCSKDSA-N 1 2 328.372 1.847 20 30 EDEDLO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)on1 ZINC000844370804 595332727 /nfs/dbraw/zinc/33/27/27/595332727.db2.gz UHTUNFLPFNCBPJ-SWLSCSKDSA-N 1 2 328.372 1.847 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000848277367 595353034 /nfs/dbraw/zinc/35/30/34/595353034.db2.gz QZWHJGXHIXRBPC-GOEBONIOSA-N 1 2 330.432 1.355 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000848277367 595353036 /nfs/dbraw/zinc/35/30/36/595353036.db2.gz QZWHJGXHIXRBPC-GOEBONIOSA-N 1 2 330.432 1.355 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000844528620 595355759 /nfs/dbraw/zinc/35/57/59/595355759.db2.gz KHLGXDGNNUSCGF-SJKOYZFVSA-N 1 2 332.379 1.139 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000844528621 595355765 /nfs/dbraw/zinc/35/57/65/595355765.db2.gz KHLGXDGNNUSCGF-YVEFUNNKSA-N 1 2 332.379 1.139 20 30 EDEDLO C[C@@H](O)C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000847095414 595363080 /nfs/dbraw/zinc/36/30/80/595363080.db2.gz PWULBOODGJSVPW-RISCZKNCSA-N 1 2 340.383 1.357 20 30 EDEDLO C[C@@H](O)C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000847095414 595363082 /nfs/dbraw/zinc/36/30/82/595363082.db2.gz PWULBOODGJSVPW-RISCZKNCSA-N 1 2 340.383 1.357 20 30 EDEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1 ZINC000867362595 595369190 /nfs/dbraw/zinc/36/91/90/595369190.db2.gz WZPKDZJJIVVFTD-LBPRGKRZSA-N 1 2 325.409 1.802 20 30 EDEDLO Cc1nn(C)c(C=NNCCCn2cc[nH+]c2)c1Br ZINC000848417110 595375390 /nfs/dbraw/zinc/37/53/90/595375390.db2.gz LBJOQUXZCLVUAD-UHFFFAOYSA-N 1 2 325.214 1.701 20 30 EDEDLO CNS(=O)(=O)c1ccc(C(C)=NNCCCn2cc[nH+]c2)cc1 ZINC000848417804 595375683 /nfs/dbraw/zinc/37/56/83/595375683.db2.gz FVBITISPGFCBFM-UHFFFAOYSA-N 1 2 335.433 1.195 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(c3ccc(C)cc3C)C2=O)C1 ZINC000848493071 595395389 /nfs/dbraw/zinc/39/53/89/595395389.db2.gz IYIKOCVFURAJSA-OAHLLOKOSA-N 1 2 339.395 1.901 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(c3ccc(C)cc3C)C2=O)C1 ZINC000848493071 595395390 /nfs/dbraw/zinc/39/53/90/595395390.db2.gz IYIKOCVFURAJSA-OAHLLOKOSA-N 1 2 339.395 1.901 20 30 EDEDLO CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000847479913 595430286 /nfs/dbraw/zinc/43/02/86/595430286.db2.gz DWFLSZLYXBTQSL-UHFFFAOYSA-N 1 2 346.431 1.719 20 30 EDEDLO C#CCNc1nc(N2CCC[C@@H](C#C)C2)nc(N2CCC[C@@H](C#C)C2)[nH+]1 ZINC000848750206 595440480 /nfs/dbraw/zinc/44/04/80/595440480.db2.gz CVBABHXLUAJVIM-IAGOWNOFSA-N 1 2 348.454 1.038 20 30 EDEDLO C#CCNc1nc(N2CCC[C@@H](C#C)C2)[nH+]c(N2CCC[C@@H](C#C)C2)n1 ZINC000848750206 595440482 /nfs/dbraw/zinc/44/04/82/595440482.db2.gz CVBABHXLUAJVIM-IAGOWNOFSA-N 1 2 348.454 1.038 20 30 EDEDLO Cc1c[nH+]c(CCNc2cccc(S(N)(=O)=O)c2C#N)c(C)c1 ZINC000848756490 595441586 /nfs/dbraw/zinc/44/15/86/595441586.db2.gz ZONVWXNLVOPSAF-UHFFFAOYSA-N 1 2 330.413 1.872 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000850662077 595580497 /nfs/dbraw/zinc/58/04/97/595580497.db2.gz DKMFLISYEUVUIZ-HZPDHXFCSA-N 1 2 344.459 1.941 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(Br)cc2OC)CC1 ZINC000111160249 595692015 /nfs/dbraw/zinc/69/20/15/595692015.db2.gz WSMIFLGRDRNSKO-UHFFFAOYSA-N 1 2 337.217 1.849 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1csc(Cc2ccccc2)n1 ZINC000111181512 595712193 /nfs/dbraw/zinc/71/21/93/595712193.db2.gz CFUCABYEPTXSLX-UHFFFAOYSA-N 1 2 346.456 1.855 20 30 EDEDLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1cc(C#N)cnn1 ZINC000853272526 595725206 /nfs/dbraw/zinc/72/52/06/595725206.db2.gz OHIJBJHORKHAGE-UHFFFAOYSA-N 1 2 346.435 1.337 20 30 EDEDLO C#CCOCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1 ZINC000851778539 595920124 /nfs/dbraw/zinc/92/01/24/595920124.db2.gz GIYDQVAOLFDGGL-QGZVFWFLSA-N 1 2 344.455 1.810 20 30 EDEDLO N#Cc1csc(C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856534241 596013339 /nfs/dbraw/zinc/01/33/39/596013339.db2.gz GUALCCDTEIRFKG-LSDHHAIUSA-N 1 2 326.425 1.970 20 30 EDEDLO N#Cc1csc(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856534241 596013343 /nfs/dbraw/zinc/01/33/43/596013343.db2.gz GUALCCDTEIRFKG-LSDHHAIUSA-N 1 2 326.425 1.970 20 30 EDEDLO CCCCCCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000859274150 596026927 /nfs/dbraw/zinc/02/69/27/596026927.db2.gz WCEWKGIOSNWGAD-MRXNPFEDSA-N 1 2 339.480 1.396 20 30 EDEDLO CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)n1 ZINC000852330666 596127938 /nfs/dbraw/zinc/12/79/38/596127938.db2.gz GNUKMRCAVSFOEX-GOSISDBHSA-N 1 2 339.447 1.923 20 30 EDEDLO CC(C)(C)n1nnc(CC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)n1 ZINC000852330666 596127941 /nfs/dbraw/zinc/12/79/41/596127941.db2.gz GNUKMRCAVSFOEX-GOSISDBHSA-N 1 2 339.447 1.923 20 30 EDEDLO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@](C)(C#N)C3)CC2)cc1 ZINC000852684056 596226817 /nfs/dbraw/zinc/22/68/17/596226817.db2.gz AGWUJKANUHODAP-LJQANCHMSA-N 1 2 342.443 1.579 20 30 EDEDLO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@](C)(C#N)C3)CC2)cc1 ZINC000852684056 596226818 /nfs/dbraw/zinc/22/68/18/596226818.db2.gz AGWUJKANUHODAP-LJQANCHMSA-N 1 2 342.443 1.579 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc(F)c2OC)CC1 ZINC000866598518 596264998 /nfs/dbraw/zinc/26/49/98/596264998.db2.gz GSEAUSFOJAGNHV-UHFFFAOYSA-N 1 2 326.393 1.164 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCN(CCC#N)CC1 ZINC000869108535 596413057 /nfs/dbraw/zinc/41/30/57/596413057.db2.gz QYLXDIIBBHBDNO-QGZVFWFLSA-N 1 2 327.432 1.414 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCN(CCC#N)CC1 ZINC000869108535 596413060 /nfs/dbraw/zinc/41/30/60/596413060.db2.gz QYLXDIIBBHBDNO-QGZVFWFLSA-N 1 2 327.432 1.414 20 30 EDEDLO COCc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1F ZINC000865069561 596463260 /nfs/dbraw/zinc/46/32/60/596463260.db2.gz IDZWOLMGXUPIGE-UHFFFAOYSA-N 1 2 349.406 1.660 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)c1ccc2c(C#N)c[nH]c2c1)[NH+]1CCOCC1 ZINC000865179705 596503745 /nfs/dbraw/zinc/50/37/45/596503745.db2.gz RWEQXLQJYPBKTQ-QWHCGFSZSA-N 1 2 326.400 1.879 20 30 EDEDLO N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1 ZINC000867710377 596507995 /nfs/dbraw/zinc/50/79/95/596507995.db2.gz BXQMQDHYVLZQCQ-AWEZNQCLSA-N 1 2 343.399 1.551 20 30 EDEDLO N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCC[N@H+](CCF)C2)c1 ZINC000867710377 596507996 /nfs/dbraw/zinc/50/79/96/596507996.db2.gz BXQMQDHYVLZQCQ-AWEZNQCLSA-N 1 2 343.399 1.551 20 30 EDEDLO C=C(Cl)C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(=O)OCC ZINC000870027980 596715722 /nfs/dbraw/zinc/71/57/22/596715722.db2.gz BRLWZEIGJBCUHQ-WCQYABFASA-N 1 2 325.796 1.636 20 30 EDEDLO C=C(Cl)C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(=O)OCC ZINC000870029660 596716470 /nfs/dbraw/zinc/71/64/70/596716470.db2.gz NRYVDPNDTMDYFW-NWDGAFQWSA-N 1 2 325.796 1.636 20 30 EDEDLO CC(C)(C(=O)N1CCN(c2ccc(C#N)cc2)CC1)[NH+]1CCOCC1 ZINC000870095476 596749029 /nfs/dbraw/zinc/74/90/29/596749029.db2.gz YCNLBXMKDHMMHV-UHFFFAOYSA-N 1 2 342.443 1.318 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC000872242480 596850919 /nfs/dbraw/zinc/85/09/19/596850919.db2.gz MJMMUSLHRUBXIK-AWEZNQCLSA-N 1 2 346.431 1.662 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC000872242480 596850922 /nfs/dbraw/zinc/85/09/22/596850922.db2.gz MJMMUSLHRUBXIK-AWEZNQCLSA-N 1 2 346.431 1.662 20 30 EDEDLO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(C#N)c1O ZINC000866304351 596852232 /nfs/dbraw/zinc/85/22/32/596852232.db2.gz CAWFKAPTARZDIB-GFCCVEGCSA-N 1 2 349.456 1.871 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000872456336 596916666 /nfs/dbraw/zinc/91/66/66/596916666.db2.gz FXZYFNVRXAKHGP-MRXNPFEDSA-N 1 2 349.456 1.352 20 30 EDEDLO CCn1ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1Br ZINC000875705283 596953388 /nfs/dbraw/zinc/95/33/88/596953388.db2.gz MGGLODAGHLJREL-GFCCVEGCSA-N 1 2 328.214 1.239 20 30 EDEDLO CCn1ncnc1-c1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000875706013 596953929 /nfs/dbraw/zinc/95/39/29/596953929.db2.gz YGJJLZGOTKHVIF-QGZVFWFLSA-N 1 2 326.404 1.539 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000875829511 597000580 /nfs/dbraw/zinc/00/05/80/597000580.db2.gz BPHVHZBPVQTCNR-CQSZACIVSA-N 1 2 331.420 1.364 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C#N)CCc1ccccc1 ZINC000874706872 597151447 /nfs/dbraw/zinc/15/14/47/597151447.db2.gz ZVNQCIXIPGWMBS-ZWKOTPCHSA-N 1 2 329.444 1.986 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C#N)CCc1ccccc1 ZINC000874706872 597151450 /nfs/dbraw/zinc/15/14/50/597151450.db2.gz ZVNQCIXIPGWMBS-ZWKOTPCHSA-N 1 2 329.444 1.986 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1cn(Cc2ccc(OC)cc2)nn1)[C@@H]1CCCO1 ZINC000873108852 597197575 /nfs/dbraw/zinc/19/75/75/597197575.db2.gz VLDVZTKFKQMQFE-MSOLQXFVSA-N 1 2 326.400 1.605 20 30 EDEDLO N#CCCN1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000875188853 597320017 /nfs/dbraw/zinc/32/00/17/597320017.db2.gz BTHSYTJNXXHKAY-UHFFFAOYSA-N 1 2 339.403 1.008 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(C#N)cc1F ZINC000875247177 597351887 /nfs/dbraw/zinc/35/18/87/597351887.db2.gz VKJXODZUNVNLAF-HNNXBMFYSA-N 1 2 334.395 1.607 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(C#N)cc1F ZINC000875247177 597351890 /nfs/dbraw/zinc/35/18/90/597351890.db2.gz VKJXODZUNVNLAF-HNNXBMFYSA-N 1 2 334.395 1.607 20 30 EDEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000875287813 597369395 /nfs/dbraw/zinc/36/93/95/597369395.db2.gz ISDMEWAGUMWHNX-GDBMZVCRSA-N 1 2 339.399 1.988 20 30 EDEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000877026542 597415332 /nfs/dbraw/zinc/41/53/32/597415332.db2.gz DYPIONBHWXAISN-SNVBAGLBSA-N 1 2 332.713 1.859 20 30 EDEDLO CC(C)C[C@H](C(=O)NCCNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC000873982763 597478645 /nfs/dbraw/zinc/47/86/45/597478645.db2.gz RMBVCZGSEYTHJS-OAHLLOKOSA-N 1 2 326.404 1.965 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000877783723 597556152 /nfs/dbraw/zinc/55/61/52/597556152.db2.gz DUUQXXLDFKKRBE-ROUUACIJSA-N 1 2 345.443 1.977 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000877783723 597556153 /nfs/dbraw/zinc/55/61/53/597556153.db2.gz DUUQXXLDFKKRBE-ROUUACIJSA-N 1 2 345.443 1.977 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584744 597644450 /nfs/dbraw/zinc/64/44/50/597644450.db2.gz IBVDAQCQGYCZQL-AWEZNQCLSA-N 1 2 341.415 1.081 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879049599 597802105 /nfs/dbraw/zinc/80/21/05/597802105.db2.gz GLKKJDRQHAGSSN-XHDPSFHLSA-N 1 2 332.379 1.421 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCc3c(CC(N)=O)cccc3C2)cc1 ZINC000879231263 597859305 /nfs/dbraw/zinc/85/93/05/597859305.db2.gz YYSUVSYKSWHAIC-UHFFFAOYSA-N 1 2 348.406 1.583 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCc3c(CC(N)=O)cccc3C2)cc1 ZINC000879231263 597859308 /nfs/dbraw/zinc/85/93/08/597859308.db2.gz YYSUVSYKSWHAIC-UHFFFAOYSA-N 1 2 348.406 1.583 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)CCC1(F)F ZINC000879370170 597903012 /nfs/dbraw/zinc/90/30/12/597903012.db2.gz POYWSFJAQBPPDJ-OLZOCXBDSA-N 1 2 345.390 1.515 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)CCC1(F)F ZINC000879370170 597903015 /nfs/dbraw/zinc/90/30/15/597903015.db2.gz POYWSFJAQBPPDJ-OLZOCXBDSA-N 1 2 345.390 1.515 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1-n1nc(C)cc1C ZINC000884076599 597987301 /nfs/dbraw/zinc/98/73/01/597987301.db2.gz ITRXNMYZSZIMAI-AWEZNQCLSA-N 1 2 342.399 1.874 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CC)c1ccc(F)cc1F ZINC000884147875 598008151 /nfs/dbraw/zinc/00/81/51/598008151.db2.gz VWBDZRNCEXHIQY-KBPBESRZSA-N 1 2 326.343 1.979 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000884170940 598013621 /nfs/dbraw/zinc/01/36/21/598013621.db2.gz JQTUXPJQTXAUGZ-ALYFQZSWSA-N 1 2 332.400 1.502 20 30 EDEDLO C[C@@H]1CO[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001031859180 700027240 /nfs/dbraw/zinc/02/72/40/700027240.db2.gz HNJLPHFREKQBEO-YVEFUNNKSA-N 1 2 331.391 1.670 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993998154 696486762 /nfs/dbraw/zinc/48/67/62/696486762.db2.gz VEKIFXGDKPMIGT-RDJZCZTQSA-N 1 2 337.427 1.450 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993998154 696486763 /nfs/dbraw/zinc/48/67/63/696486763.db2.gz VEKIFXGDKPMIGT-RDJZCZTQSA-N 1 2 337.427 1.450 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnc(C)nc3)[C@H]2C)cn1 ZINC000994257393 696665379 /nfs/dbraw/zinc/66/53/79/696665379.db2.gz ZPPCCXVHGCFHEG-LIRRHRJNSA-N 1 2 349.438 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnc(C)nc3)[C@H]2C)cn1 ZINC000994257393 696665380 /nfs/dbraw/zinc/66/53/80/696665380.db2.gz ZPPCCXVHGCFHEG-LIRRHRJNSA-N 1 2 349.438 1.944 20 30 EDEDLO CCN(CC)C(=O)CON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181850880 700102635 /nfs/dbraw/zinc/10/26/35/700102635.db2.gz IHFYKCQEWNBBGU-MRXNPFEDSA-N 1 2 348.447 1.045 20 30 EDEDLO CCN(CC)C(=O)CON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181850880 700102636 /nfs/dbraw/zinc/10/26/36/700102636.db2.gz IHFYKCQEWNBBGU-MRXNPFEDSA-N 1 2 348.447 1.045 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060721020 697193025 /nfs/dbraw/zinc/19/30/25/697193025.db2.gz DLHOZQSPSTYEHC-HBUWYVDXSA-N 1 2 348.447 1.071 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3cnccn3)C2)c1 ZINC001031523156 697207644 /nfs/dbraw/zinc/20/76/44/697207644.db2.gz RWEPRSDURVILGS-UHFFFAOYSA-N 1 2 325.347 1.349 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@H]1CCOC1 ZINC001031571569 697265703 /nfs/dbraw/zinc/26/57/03/697265703.db2.gz RSHBOBXOSRWWDG-INIZCTEOSA-N 1 2 332.831 1.776 20 30 EDEDLO CCn1ccnc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031636291 697384810 /nfs/dbraw/zinc/38/48/10/697384810.db2.gz RNFUKRFWHWQRNA-UHFFFAOYSA-N 1 2 329.429 1.698 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2snnc2C)C1 ZINC001031680890 697500654 /nfs/dbraw/zinc/50/06/54/697500654.db2.gz UZYCBAGFLGRAGK-KGLIPLIRSA-N 1 2 336.461 1.376 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001031713087 697725811 /nfs/dbraw/zinc/72/58/11/697725811.db2.gz QGYLYFAGNMEAOV-CQSZACIVSA-N 1 2 327.856 1.291 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060754903 698219226 /nfs/dbraw/zinc/21/92/26/698219226.db2.gz KIKIUKRSNLBBAJ-MPGHIAIKSA-N 1 2 348.447 1.001 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)CC1 ZINC000945387182 700210351 /nfs/dbraw/zinc/21/03/51/700210351.db2.gz WCYMAPOVYMASMC-WBVHZDCISA-N 1 2 344.459 1.983 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000938628021 698367997 /nfs/dbraw/zinc/36/79/97/698367997.db2.gz ZMRDIIAYDQKOHJ-KRWDZBQOSA-N 1 2 348.406 1.616 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C)on3)C[C@@H]2C)nn1 ZINC000943480756 698388235 /nfs/dbraw/zinc/38/82/35/698388235.db2.gz GFEWJNWTXUGECK-SWLSCSKDSA-N 1 2 344.419 1.401 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C)on3)C[C@@H]2C)nn1 ZINC000943480756 698388241 /nfs/dbraw/zinc/38/82/41/698388241.db2.gz GFEWJNWTXUGECK-SWLSCSKDSA-N 1 2 344.419 1.401 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)C[C@H]2C)nn1 ZINC000943495055 698439119 /nfs/dbraw/zinc/43/91/19/698439119.db2.gz BTWQTYXIDUBWGQ-TZMCWYRMSA-N 1 2 346.460 1.561 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)C[C@H]2C)nn1 ZINC000943495055 698439120 /nfs/dbraw/zinc/43/91/20/698439120.db2.gz BTWQTYXIDUBWGQ-TZMCWYRMSA-N 1 2 346.460 1.561 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)c1nnc[nH]1 ZINC000943700990 698738988 /nfs/dbraw/zinc/73/89/88/698738988.db2.gz FAXNUVBLIKEDOL-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)c1nnc[nH]1 ZINC000943700990 698738991 /nfs/dbraw/zinc/73/89/91/698738991.db2.gz FAXNUVBLIKEDOL-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943700990 698738994 /nfs/dbraw/zinc/73/89/94/698738994.db2.gz FAXNUVBLIKEDOL-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943700990 698738997 /nfs/dbraw/zinc/73/89/97/698738997.db2.gz FAXNUVBLIKEDOL-NHYWBVRUSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@H]1NC(=O)c1nnc[nH]1 ZINC000943702835 698742876 /nfs/dbraw/zinc/74/28/76/698742876.db2.gz RTLVBRKPBHKBDG-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@H]1NC(=O)c1nnc[nH]1 ZINC000943702835 698742880 /nfs/dbraw/zinc/74/28/80/698742880.db2.gz RTLVBRKPBHKBDG-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943702835 698742885 /nfs/dbraw/zinc/74/28/85/698742885.db2.gz RTLVBRKPBHKBDG-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943702835 698742888 /nfs/dbraw/zinc/74/28/88/698742888.db2.gz RTLVBRKPBHKBDG-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO Cc1conc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032107298 698895793 /nfs/dbraw/zinc/89/57/93/698895793.db2.gz BQAVWIVUYSRIKF-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn(C(C)C)c3Cl)CC2)C1 ZINC000941505853 701562770 /nfs/dbraw/zinc/56/27/70/701562770.db2.gz GHOWOYLTMCAWNL-UHFFFAOYSA-N 1 2 349.866 1.193 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccc(F)c3F)CC2)C1 ZINC000941537462 701574587 /nfs/dbraw/zinc/57/45/87/701574587.db2.gz KEPMNPGEOKUDOB-UHFFFAOYSA-N 1 2 333.382 1.430 20 30 EDEDLO C[C@H]1COCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031960684 701580217 /nfs/dbraw/zinc/58/02/17/701580217.db2.gz NNGNCIUSLCMZTQ-KBXCAEBGSA-N 1 2 327.428 1.779 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC000939406371 699561084 /nfs/dbraw/zinc/56/10/84/699561084.db2.gz OLKBOEZNSPRKMR-QWHCGFSZSA-N 1 2 325.372 1.167 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3scnc3C(C)(C)C)CC2)C1 ZINC000941596905 701598354 /nfs/dbraw/zinc/59/83/54/701598354.db2.gz SKOVKLWCYLGUPJ-UHFFFAOYSA-N 1 2 346.500 1.516 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3cc(C)cc(C)c3)CC2)C1 ZINC000941632824 701600847 /nfs/dbraw/zinc/60/08/47/701600847.db2.gz SQJYSZKSGHHXNE-UHFFFAOYSA-N 1 2 339.483 1.698 20 30 EDEDLO C=CC[NH+]1CC(N2CCN(C(=O)c3c(C)[nH]nc3C(C)C)CC2)C1 ZINC000941635621 701601698 /nfs/dbraw/zinc/60/16/98/701601698.db2.gz USXLUCMFXXCHAX-UHFFFAOYSA-N 1 2 331.464 1.470 20 30 EDEDLO C=CC[NH+]1CC(N2CCN(C(=O)c3c(C)n[nH]c3C(C)C)CC2)C1 ZINC000941635621 701601699 /nfs/dbraw/zinc/60/16/99/701601699.db2.gz USXLUCMFXXCHAX-UHFFFAOYSA-N 1 2 331.464 1.470 20 30 EDEDLO C=C1CCC(C(=O)N2CC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000939478175 699626070 /nfs/dbraw/zinc/62/60/70/699626070.db2.gz RSQQQWHGUMFOJO-INIZCTEOSA-N 1 2 330.432 1.758 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3csnn3)[C@@H](C)C2)cn1 ZINC000939567780 699710699 /nfs/dbraw/zinc/71/06/99/699710699.db2.gz NFMDLFNQZLTQLG-NHYWBVRUSA-N 1 2 327.413 1.165 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)C1 ZINC000941648883 701610880 /nfs/dbraw/zinc/61/08/80/701610880.db2.gz FNOMDIDHWMKTFV-UHFFFAOYSA-N 1 2 325.456 1.769 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3OC)CC2)C1 ZINC000941649319 701611178 /nfs/dbraw/zinc/61/11/78/701611178.db2.gz RSUJNIDLYTWPHP-UHFFFAOYSA-N 1 2 327.428 1.161 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000941679685 701617025 /nfs/dbraw/zinc/61/70/25/701617025.db2.gz VTRSLGXYCOPLNS-GFCCVEGCSA-N 1 2 338.839 1.458 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]cc3-c3ccccc3)CC2)C1 ZINC000941666152 701620688 /nfs/dbraw/zinc/62/06/88/701620688.db2.gz NZGBICXALSZYKI-UHFFFAOYSA-N 1 2 348.450 1.757 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3coc(C(N)=O)c3)C2)s1 ZINC001031872711 700285555 /nfs/dbraw/zinc/28/55/55/700285555.db2.gz QRGITHAGWFWQMZ-UHFFFAOYSA-N 1 2 344.396 1.173 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000945437624 700288821 /nfs/dbraw/zinc/28/88/21/700288821.db2.gz JIWOOYKWAPWEMZ-UKRRQHHQSA-N 1 2 332.448 1.908 20 30 EDEDLO Cc1n[nH]cc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031889258 700632054 /nfs/dbraw/zinc/63/20/54/700632054.db2.gz XPSWZWILCMHENJ-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940659386 700820670 /nfs/dbraw/zinc/82/06/70/700820670.db2.gz XJKRKFAUSLCNOH-OAHLLOKOSA-N 1 2 340.431 1.650 20 30 EDEDLO Cn1ccnc1C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940659386 700820672 /nfs/dbraw/zinc/82/06/72/700820672.db2.gz XJKRKFAUSLCNOH-OAHLLOKOSA-N 1 2 340.431 1.650 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1 ZINC001031908666 700890696 /nfs/dbraw/zinc/89/06/96/700890696.db2.gz ZVJHTNIIVSQCIG-QLPKVWCKSA-N 1 2 329.375 1.138 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H](CCN3C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000946033984 701364676 /nfs/dbraw/zinc/36/46/76/701364676.db2.gz IVGFNUDIUCDIGO-GDBMZVCRSA-N 1 2 342.443 1.758 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(Cl)n[nH]c3CC)CC2)C1 ZINC000941432934 701538819 /nfs/dbraw/zinc/53/88/19/701538819.db2.gz IPKBKYCRWLHEDT-UHFFFAOYSA-N 1 2 349.866 1.091 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]3C(F)F)CC2)C1 ZINC000941437073 701540324 /nfs/dbraw/zinc/54/03/24/701540324.db2.gz QVOPUYLQZICJCI-HUUCEWRRSA-N 1 2 325.403 1.129 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000941448095 701545945 /nfs/dbraw/zinc/54/59/45/701545945.db2.gz JVNRKFQFHCQYOF-HNNXBMFYSA-N 1 2 344.459 1.719 20 30 EDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@H](NCC#N)C1 ZINC000999184355 706612606 /nfs/dbraw/zinc/61/26/06/706612606.db2.gz CNCQELKRBXGULH-OWCLPIDISA-N 1 2 327.432 1.258 20 30 EDEDLO COCc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995798865 702039645 /nfs/dbraw/zinc/03/96/45/702039645.db2.gz PITBMDIGIJCQLH-TZMCWYRMSA-N 1 2 346.431 1.517 20 30 EDEDLO Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)nc1 ZINC000941929574 702156829 /nfs/dbraw/zinc/15/68/29/702156829.db2.gz OIRRIVMFAHVKRU-HIFRSBDPSA-N 1 2 338.415 1.625 20 30 EDEDLO Cc1cnc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)nc1 ZINC000941929574 702156833 /nfs/dbraw/zinc/15/68/33/702156833.db2.gz OIRRIVMFAHVKRU-HIFRSBDPSA-N 1 2 338.415 1.625 20 30 EDEDLO Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1 ZINC000941930358 702158884 /nfs/dbraw/zinc/15/88/84/702158884.db2.gz SBGFHNHROOEWQX-ZWNOBZJWSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1 ZINC000941930358 702158886 /nfs/dbraw/zinc/15/88/86/702158886.db2.gz SBGFHNHROOEWQX-ZWNOBZJWSA-N 1 2 328.376 1.218 20 30 EDEDLO COc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)n1 ZINC001032668116 706683843 /nfs/dbraw/zinc/68/38/43/706683843.db2.gz URGJJBISPPEZPL-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO COc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)n1 ZINC001032668116 706683846 /nfs/dbraw/zinc/68/38/46/706683846.db2.gz URGJJBISPPEZPL-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nn2)C[C@@H]1C ZINC000942130990 702634641 /nfs/dbraw/zinc/63/46/41/702634641.db2.gz QYHDQEGLDGMMBF-HOCLYGCPSA-N 1 2 342.447 1.443 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cn(C)nn2)C[C@@H]1C ZINC000942130990 702634644 /nfs/dbraw/zinc/63/46/44/702634644.db2.gz QYHDQEGLDGMMBF-HOCLYGCPSA-N 1 2 342.447 1.443 20 30 EDEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)n(C)n1 ZINC001032303551 702874689 /nfs/dbraw/zinc/87/46/89/702874689.db2.gz AHIAJARVNVDEMB-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)n(C)n1 ZINC001032303551 702874692 /nfs/dbraw/zinc/87/46/92/702874692.db2.gz AHIAJARVNVDEMB-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001032337452 703152208 /nfs/dbraw/zinc/15/22/08/703152208.db2.gz ANXGBDQZGPWBNG-KBPBESRZSA-N 1 2 325.372 1.590 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001032337452 703152209 /nfs/dbraw/zinc/15/22/09/703152209.db2.gz ANXGBDQZGPWBNG-KBPBESRZSA-N 1 2 325.372 1.590 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnc(C)o2)C1 ZINC001032040551 703154965 /nfs/dbraw/zinc/15/49/65/703154965.db2.gz JAGIUZVTZNBVEN-IRXDYDNUSA-N 1 2 333.432 1.902 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccncn3)C2)c(F)c1 ZINC001032060685 703525404 /nfs/dbraw/zinc/52/54/04/703525404.db2.gz YBVLSHQCSFYVQK-UHFFFAOYSA-N 1 2 325.347 1.349 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)cc1 ZINC000997335652 703563057 /nfs/dbraw/zinc/56/30/57/703563057.db2.gz VLAHKGNFODJPIB-MRXNPFEDSA-N 1 2 348.406 1.068 20 30 EDEDLO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033061674 703977161 /nfs/dbraw/zinc/97/71/61/703977161.db2.gz PWIMMLBNJJUZBX-AWEZNQCLSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033061674 703977163 /nfs/dbraw/zinc/97/71/63/703977163.db2.gz PWIMMLBNJJUZBX-AWEZNQCLSA-N 1 2 342.378 1.172 20 30 EDEDLO Cc1nn(C)cc1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004456331 704449693 /nfs/dbraw/zinc/44/96/93/704449693.db2.gz DLYQCVDFMRJUDN-QGZVFWFLSA-N 1 2 329.448 1.498 20 30 EDEDLO Cc1nn(C)cc1CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004456331 704449695 /nfs/dbraw/zinc/44/96/95/704449695.db2.gz DLYQCVDFMRJUDN-QGZVFWFLSA-N 1 2 329.448 1.498 20 30 EDEDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CCN(CC#N)CC1 ZINC000997727274 704617396 /nfs/dbraw/zinc/61/73/96/704617396.db2.gz ZOMAQBKSJPODRI-YJBOKZPZSA-N 1 2 348.491 1.370 20 30 EDEDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CCN(CC#N)CC1 ZINC000997727274 704617398 /nfs/dbraw/zinc/61/73/98/704617398.db2.gz ZOMAQBKSJPODRI-YJBOKZPZSA-N 1 2 348.491 1.370 20 30 EDEDLO Cn1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)c1N ZINC001007174537 704693959 /nfs/dbraw/zinc/69/39/59/704693959.db2.gz QYLRHTLYJAMABB-NSHDSACASA-N 1 2 344.444 1.330 20 30 EDEDLO Cn1ncc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)c1N ZINC001007174537 704693961 /nfs/dbraw/zinc/69/39/61/704693961.db2.gz QYLRHTLYJAMABB-NSHDSACASA-N 1 2 344.444 1.330 20 30 EDEDLO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1cnsn1 ZINC000995674503 705234130 /nfs/dbraw/zinc/23/41/30/705234130.db2.gz FKNRPQWDDGRVFF-CYBMUJFWSA-N 1 2 330.417 1.378 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cncc(C)c2)c1 ZINC001032617707 705649622 /nfs/dbraw/zinc/64/96/22/705649622.db2.gz OEUDEOSBCXIDIS-OALUTQOASA-N 1 2 332.407 1.865 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cncc(C)c2)c1 ZINC001032617707 705649628 /nfs/dbraw/zinc/64/96/28/705649628.db2.gz OEUDEOSBCXIDIS-OALUTQOASA-N 1 2 332.407 1.865 20 30 EDEDLO N#Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nc(C4CC4)no3)C2)c[nH]1 ZINC000998967340 706387765 /nfs/dbraw/zinc/38/77/65/706387765.db2.gz ATRQEMWUEADEFZ-ZDUSSCGKSA-N 1 2 340.387 1.541 20 30 EDEDLO N#Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)c[nH]1 ZINC000998967337 706387833 /nfs/dbraw/zinc/38/78/33/706387833.db2.gz ATRQEMWUEADEFZ-CYBMUJFWSA-N 1 2 340.387 1.541 20 30 EDEDLO C=C1CCC(C(=O)NC2CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)CC1 ZINC000999111938 706538523 /nfs/dbraw/zinc/53/85/23/706538523.db2.gz APEPTZRGQIDRHV-HNNXBMFYSA-N 1 2 342.443 1.903 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000999354555 706843680 /nfs/dbraw/zinc/84/36/80/706843680.db2.gz JTDAEUBOXOUKBX-ZDUSSCGKSA-N 1 2 328.416 1.513 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000999429510 706936622 /nfs/dbraw/zinc/93/66/22/706936622.db2.gz DUYCXAQBLMCKNH-CVSAEHQPSA-N 1 2 346.431 1.617 20 30 EDEDLO C#Cc1cccc(NC(=O)C[NH+]2CCC(N(C)C(=O)CC)CC2)c1 ZINC001005017221 707126136 /nfs/dbraw/zinc/12/61/36/707126136.db2.gz IKMDLMWAFAAWCK-UHFFFAOYSA-N 1 2 327.428 1.939 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001033243908 707204979 /nfs/dbraw/zinc/20/49/79/707204979.db2.gz LOKFMQCSDVGJGW-HUUCEWRRSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001033243908 707204982 /nfs/dbraw/zinc/20/49/82/707204982.db2.gz LOKFMQCSDVGJGW-HUUCEWRRSA-N 1 2 327.856 1.530 20 30 EDEDLO C=CCC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC001061593763 707618575 /nfs/dbraw/zinc/61/85/75/707618575.db2.gz RULJSCINLDAWEU-HNNXBMFYSA-N 1 2 348.447 1.219 20 30 EDEDLO CC(C)(C(=O)N1CC[C@H](CNc2ccc(C#N)nn2)C1)c1c[nH+]c[nH]1 ZINC001060895063 707650341 /nfs/dbraw/zinc/65/03/41/707650341.db2.gz WVERIBDDKULUNY-GFCCVEGCSA-N 1 2 339.403 1.310 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCOCC2)C1 ZINC001033507338 707978371 /nfs/dbraw/zinc/97/83/71/707978371.db2.gz FJDUUQNMBTUJEP-AWEZNQCLSA-N 1 2 329.872 1.382 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCOCC2)C1 ZINC001033507338 707978374 /nfs/dbraw/zinc/97/83/74/707978374.db2.gz FJDUUQNMBTUJEP-AWEZNQCLSA-N 1 2 329.872 1.382 20 30 EDEDLO N#Cc1cnccc1NC[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001060944265 708010262 /nfs/dbraw/zinc/01/02/62/708010262.db2.gz GRGSEGAFSXJMQY-CQSZACIVSA-N 1 2 346.394 1.597 20 30 EDEDLO Cc1nsc(NC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c1C#N ZINC001060954958 708045550 /nfs/dbraw/zinc/04/55/50/708045550.db2.gz LDWYHKNDGXTEBL-CYBMUJFWSA-N 1 2 344.444 1.870 20 30 EDEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001032793564 708054531 /nfs/dbraw/zinc/05/45/31/708054531.db2.gz FVRXYOAARKNSTB-HRCADAONSA-N 1 2 339.867 1.135 20 30 EDEDLO C[C@H](CC(=O)N1CC[C@@H](CNc2cnc(C#N)cn2)C1)n1cc[nH+]c1 ZINC001061001496 708138932 /nfs/dbraw/zinc/13/89/32/708138932.db2.gz OLPNNJNSCXVBIE-KGLIPLIRSA-N 1 2 339.403 1.456 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]2C)C1 ZINC001005254206 708397234 /nfs/dbraw/zinc/39/72/34/708397234.db2.gz IWGGNWUHZFAKQH-CJNGLKHVSA-N 1 2 344.459 1.970 20 30 EDEDLO Cc1nnc(C[NH+]2CCC(N(C)C(=O)c3ccc(C#N)[nH]3)CC2)o1 ZINC001005259402 708442670 /nfs/dbraw/zinc/44/26/70/708442670.db2.gz JJKNSUSUSDIRET-UHFFFAOYSA-N 1 2 328.376 1.314 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001033834246 708861371 /nfs/dbraw/zinc/86/13/71/708861371.db2.gz VLNSEHCDLINOPJ-UAGQMJEPSA-N 1 2 347.463 1.219 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001033834246 708861373 /nfs/dbraw/zinc/86/13/73/708861373.db2.gz VLNSEHCDLINOPJ-UAGQMJEPSA-N 1 2 347.463 1.219 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn(C)nc2COC)C1 ZINC001033878212 708947759 /nfs/dbraw/zinc/94/77/59/708947759.db2.gz OOSYYJRTFIIKQT-ZDUSSCGKSA-N 1 2 340.855 1.855 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn(C)nc2COC)C1 ZINC001033878212 708947762 /nfs/dbraw/zinc/94/77/62/708947762.db2.gz OOSYYJRTFIIKQT-ZDUSSCGKSA-N 1 2 340.855 1.855 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001033870767 708959459 /nfs/dbraw/zinc/95/94/59/708959459.db2.gz KTQPPWSEJQJZMU-CYBMUJFWSA-N 1 2 348.838 1.722 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001033870767 708959461 /nfs/dbraw/zinc/95/94/61/708959461.db2.gz KTQPPWSEJQJZMU-CYBMUJFWSA-N 1 2 348.838 1.722 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H](Nc2ccncc2C#N)C1 ZINC001061095868 709027237 /nfs/dbraw/zinc/02/72/37/709027237.db2.gz OIJNFVWVZBJCCM-GJZGRUSLSA-N 1 2 338.415 1.191 20 30 EDEDLO CC#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001033952900 709134189 /nfs/dbraw/zinc/13/41/89/709134189.db2.gz HJHVRVBVCZVPLY-INIZCTEOSA-N 1 2 344.459 1.830 20 30 EDEDLO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001033952900 709134191 /nfs/dbraw/zinc/13/41/91/709134191.db2.gz HJHVRVBVCZVPLY-INIZCTEOSA-N 1 2 344.459 1.830 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033953989 709135168 /nfs/dbraw/zinc/13/51/68/709135168.db2.gz KJBSFKOKRPCIJJ-ZACQAIPSSA-N 1 2 332.448 1.434 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033953989 709135169 /nfs/dbraw/zinc/13/51/69/709135169.db2.gz KJBSFKOKRPCIJJ-ZACQAIPSSA-N 1 2 332.448 1.434 20 30 EDEDLO CCN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033992064 709199890 /nfs/dbraw/zinc/19/98/90/709199890.db2.gz DACYKHJEWIBRDE-MRXNPFEDSA-N 1 2 341.390 1.532 20 30 EDEDLO CCN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033992064 709199892 /nfs/dbraw/zinc/19/98/92/709199892.db2.gz DACYKHJEWIBRDE-MRXNPFEDSA-N 1 2 341.390 1.532 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H](NC(=O)c3cncs3)C2)C1=O ZINC001034121803 709385387 /nfs/dbraw/zinc/38/53/87/709385387.db2.gz FOHJYMQKORFIBS-KBPBESRZSA-N 1 2 348.472 1.514 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H](NC(=O)c3cncs3)C2)C1=O ZINC001034121803 709385391 /nfs/dbraw/zinc/38/53/91/709385391.db2.gz FOHJYMQKORFIBS-KBPBESRZSA-N 1 2 348.472 1.514 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001002782975 709388668 /nfs/dbraw/zinc/38/86/68/709388668.db2.gz UNDDUBWGKZTHCO-HNNXBMFYSA-N 1 2 342.443 1.376 20 30 EDEDLO Cc1ccnc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034165959 709439778 /nfs/dbraw/zinc/43/97/78/709439778.db2.gz YMCVZZBOYDPGRA-HNNXBMFYSA-N 1 2 338.415 1.769 20 30 EDEDLO Cc1ccnc(C[N@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034165959 709439779 /nfs/dbraw/zinc/43/97/79/709439779.db2.gz YMCVZZBOYDPGRA-HNNXBMFYSA-N 1 2 338.415 1.769 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@@H+](Cc2cn(C)nn2)C1 ZINC001034246453 709638065 /nfs/dbraw/zinc/63/80/65/709638065.db2.gz DTKQVIMPSCHEEF-HNNXBMFYSA-N 1 2 342.447 1.587 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@H+](Cc2cn(C)nn2)C1 ZINC001034246453 709638069 /nfs/dbraw/zinc/63/80/69/709638069.db2.gz DTKQVIMPSCHEEF-HNNXBMFYSA-N 1 2 342.447 1.587 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](N(C)c2ccc(C#N)cn2)C1 ZINC001061221042 709788126 /nfs/dbraw/zinc/78/81/26/709788126.db2.gz SJELYZHAGOXNFV-OAHLLOKOSA-N 1 2 338.415 1.655 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001034339627 709802954 /nfs/dbraw/zinc/80/29/54/709802954.db2.gz JRRLVFLJYHGRDO-NWDGAFQWSA-N 1 2 344.253 1.002 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001034339627 709802959 /nfs/dbraw/zinc/80/29/59/709802959.db2.gz JRRLVFLJYHGRDO-NWDGAFQWSA-N 1 2 344.253 1.002 20 30 EDEDLO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC001034434920 710007024 /nfs/dbraw/zinc/00/70/24/710007024.db2.gz FHGZSRRYPRFCKX-HOCLYGCPSA-N 1 2 328.478 1.501 20 30 EDEDLO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC001034434920 710007029 /nfs/dbraw/zinc/00/70/29/710007029.db2.gz FHGZSRRYPRFCKX-HOCLYGCPSA-N 1 2 328.478 1.501 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3ccn(C)n3)C2)nc1 ZINC001034494729 710117907 /nfs/dbraw/zinc/11/79/07/710117907.db2.gz WCFHJFIRJNLOMV-INIZCTEOSA-N 1 2 337.427 1.581 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3ccn(C)n3)C2)nc1 ZINC001034494729 710117909 /nfs/dbraw/zinc/11/79/09/710117909.db2.gz WCFHJFIRJNLOMV-INIZCTEOSA-N 1 2 337.427 1.581 20 30 EDEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033022133 711347818 /nfs/dbraw/zinc/34/78/18/711347818.db2.gz GJVBSSGCOHMTDS-MRXNPFEDSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033022133 711347822 /nfs/dbraw/zinc/34/78/22/711347822.db2.gz GJVBSSGCOHMTDS-MRXNPFEDSA-N 1 2 327.363 1.767 20 30 EDEDLO Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)c(C)o1 ZINC001033024081 711394865 /nfs/dbraw/zinc/39/48/65/711394865.db2.gz SGMXNJXSOHHMGC-OAHLLOKOSA-N 1 2 327.388 1.838 20 30 EDEDLO Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)c(C)o1 ZINC001033024081 711394870 /nfs/dbraw/zinc/39/48/70/711394870.db2.gz SGMXNJXSOHHMGC-OAHLLOKOSA-N 1 2 327.388 1.838 20 30 EDEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001004071682 711406843 /nfs/dbraw/zinc/40/68/43/711406843.db2.gz PURWOOROWORQOT-CYBMUJFWSA-N 1 2 337.383 1.220 20 30 EDEDLO C=C1CCC(C(=O)NCC2CN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001004119845 711493276 /nfs/dbraw/zinc/49/32/76/711493276.db2.gz RICKVPXSOSQMHB-UHFFFAOYSA-N 1 2 344.459 1.674 20 30 EDEDLO C[NH+](C)Cc1cc(C(=O)N2CCC([C@H]3CCCN3CC#N)CC2)no1 ZINC001004473801 711850283 /nfs/dbraw/zinc/85/02/83/711850283.db2.gz LVGYYVQYPBRAFJ-QGZVFWFLSA-N 1 2 345.447 1.576 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCCC2=O)CC1 ZINC001004479915 711860947 /nfs/dbraw/zinc/86/09/47/711860947.db2.gz GCEIJLVESXMLFP-MRXNPFEDSA-N 1 2 332.448 1.225 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCCC2=O)CC1 ZINC001004479915 711860948 /nfs/dbraw/zinc/86/09/48/711860948.db2.gz GCEIJLVESXMLFP-MRXNPFEDSA-N 1 2 332.448 1.225 20 30 EDEDLO C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)[nH]n2)C1 ZINC001033125833 711867060 /nfs/dbraw/zinc/86/70/60/711867060.db2.gz DAVXIEJALUQLRV-JTQLQIEISA-N 1 2 327.226 1.895 20 30 EDEDLO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Br)[nH]n2)C1 ZINC001033125833 711867063 /nfs/dbraw/zinc/86/70/63/711867063.db2.gz DAVXIEJALUQLRV-JTQLQIEISA-N 1 2 327.226 1.895 20 30 EDEDLO CC(C)(C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)N1CCOCC1 ZINC001004577148 712004724 /nfs/dbraw/zinc/00/47/24/712004724.db2.gz QCGKLPYURFKWGP-QGZVFWFLSA-N 1 2 348.491 1.324 20 30 EDEDLO CC(C)(C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)N1CCOCC1 ZINC001004577148 712004725 /nfs/dbraw/zinc/00/47/25/712004725.db2.gz QCGKLPYURFKWGP-QGZVFWFLSA-N 1 2 348.491 1.324 20 30 EDEDLO C[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004604187 712053551 /nfs/dbraw/zinc/05/35/51/712053551.db2.gz VUAVNOONALGJBN-ZBFHGGJFSA-N 1 2 332.448 1.081 20 30 EDEDLO C[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004604187 712053553 /nfs/dbraw/zinc/05/35/53/712053553.db2.gz VUAVNOONALGJBN-ZBFHGGJFSA-N 1 2 332.448 1.081 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000052892484 214153854 /nfs/dbraw/zinc/15/38/54/214153854.db2.gz SQKBJMUDONYMEY-CYBMUJFWSA-N 1 2 331.416 1.822 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000052892484 214153857 /nfs/dbraw/zinc/15/38/57/214153857.db2.gz SQKBJMUDONYMEY-CYBMUJFWSA-N 1 2 331.416 1.822 20 30 EDEDLO COC(=O)c1coc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000559259193 306252320 /nfs/dbraw/zinc/25/23/20/306252320.db2.gz KYWMRVCURHCSAO-UHFFFAOYSA-N 1 2 326.356 1.655 20 30 EDEDLO O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCn2c[nH+]cc2C1 ZINC000329622252 539450731 /nfs/dbraw/zinc/45/07/31/539450731.db2.gz RSUYJKQQQRFKRZ-CQSZACIVSA-N 1 2 346.412 1.531 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc3c(c2)CCCC(=O)N3)C1 ZINC000329636486 539451729 /nfs/dbraw/zinc/45/17/29/539451729.db2.gz YERFYUWPABYWOP-HNNXBMFYSA-N 1 2 345.447 1.533 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc3c(c2)CCCC(=O)N3)C1 ZINC000329636486 539451732 /nfs/dbraw/zinc/45/17/32/539451732.db2.gz YERFYUWPABYWOP-HNNXBMFYSA-N 1 2 345.447 1.533 20 30 EDEDLO O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000330040052 539490359 /nfs/dbraw/zinc/49/03/59/539490359.db2.gz FORMOUZJXNJUFZ-INIZCTEOSA-N 1 2 343.427 1.587 20 30 EDEDLO C=CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000337862503 539693361 /nfs/dbraw/zinc/69/33/61/539693361.db2.gz NYLWBEHYAONTLR-OAHLLOKOSA-N 1 2 343.431 1.883 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000563434942 306332996 /nfs/dbraw/zinc/33/29/96/306332996.db2.gz WOEHLWVVMOXIDL-CQSZACIVSA-N 1 2 349.456 1.432 20 30 EDEDLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000563434942 306332997 /nfs/dbraw/zinc/33/29/97/306332997.db2.gz WOEHLWVVMOXIDL-CQSZACIVSA-N 1 2 349.456 1.432 20 30 EDEDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000075984774 138245003 /nfs/dbraw/zinc/24/50/03/138245003.db2.gz AODKXPOYEIRKTO-UHFFFAOYSA-N 1 2 329.404 1.186 20 30 EDEDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000075984774 138245004 /nfs/dbraw/zinc/24/50/04/138245004.db2.gz AODKXPOYEIRKTO-UHFFFAOYSA-N 1 2 329.404 1.186 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000077168359 138251606 /nfs/dbraw/zinc/25/16/06/138251606.db2.gz KJQMXRPABNHRDD-UHFFFAOYSA-N 1 2 334.807 1.738 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC(N3CCCC3=O)CC2)c(C#N)c1C ZINC000104728369 138300516 /nfs/dbraw/zinc/30/05/16/138300516.db2.gz TZDRXACSIHTLRM-UHFFFAOYSA-N 1 2 344.415 1.793 20 30 EDEDLO Cc1nsc(N2CCN(Cc3c[nH+]c4ccc(C#N)cn34)CC2)n1 ZINC000093663441 138294085 /nfs/dbraw/zinc/29/40/85/138294085.db2.gz LDBZEQPHRWKIFH-UHFFFAOYSA-N 1 2 339.428 1.688 20 30 EDEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCCCCC#N)c1 ZINC000177004602 237365838 /nfs/dbraw/zinc/36/58/38/237365838.db2.gz FVHSKPGFLFDOBM-UHFFFAOYSA-N 1 2 325.372 1.836 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000111269677 220130145 /nfs/dbraw/zinc/13/01/45/220130145.db2.gz DCXJPXWRJCQUIE-YPMHNXCESA-N 1 2 332.404 1.553 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000111269677 220130148 /nfs/dbraw/zinc/13/01/48/220130148.db2.gz DCXJPXWRJCQUIE-YPMHNXCESA-N 1 2 332.404 1.553 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1OC ZINC000345856166 250037479 /nfs/dbraw/zinc/03/74/79/250037479.db2.gz YPQDCAXGJMVXSQ-QBPKDAKJSA-N 1 2 337.464 1.510 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1OC ZINC000345856166 250037482 /nfs/dbraw/zinc/03/74/82/250037482.db2.gz YPQDCAXGJMVXSQ-QBPKDAKJSA-N 1 2 337.464 1.510 20 30 EDEDLO CSC[C@@](C)(C#N)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000345091851 250024361 /nfs/dbraw/zinc/02/43/61/250024361.db2.gz KJPALXQRZJIEGF-NVXWUHKLSA-N 1 2 333.457 1.649 20 30 EDEDLO CSC[C@@](C)(C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000345091851 250024365 /nfs/dbraw/zinc/02/43/65/250024365.db2.gz KJPALXQRZJIEGF-NVXWUHKLSA-N 1 2 333.457 1.649 20 30 EDEDLO C=CCOC[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)C(=O)OC ZINC000361109180 250171662 /nfs/dbraw/zinc/17/16/62/250171662.db2.gz MOVQJHSYLWUJIK-HNNXBMFYSA-N 1 2 336.388 1.218 20 30 EDEDLO C=CCN(CCOC)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000361091689 250169790 /nfs/dbraw/zinc/16/97/90/250169790.db2.gz SXIVMYXGMMAYLS-UHFFFAOYSA-N 1 2 348.443 1.723 20 30 EDEDLO C=CCN(CCOC)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000361091689 250169793 /nfs/dbraw/zinc/16/97/93/250169793.db2.gz SXIVMYXGMMAYLS-UHFFFAOYSA-N 1 2 348.443 1.723 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccccc2OC)CC1 ZINC000363530353 250185309 /nfs/dbraw/zinc/18/53/09/250185309.db2.gz XLWQSWGBVSVCGC-UHFFFAOYSA-N 1 2 345.443 1.074 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccccc2OC)CC1 ZINC000363530353 250185310 /nfs/dbraw/zinc/18/53/10/250185310.db2.gz XLWQSWGBVSVCGC-UHFFFAOYSA-N 1 2 345.443 1.074 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccccn3)CC2)C1=O ZINC000369703918 250203995 /nfs/dbraw/zinc/20/39/95/250203995.db2.gz NZULMXFCAYLUAR-INIZCTEOSA-N 1 2 328.416 1.016 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccccn3)CC2)C1=O ZINC000369703918 250204000 /nfs/dbraw/zinc/20/40/00/250204000.db2.gz NZULMXFCAYLUAR-INIZCTEOSA-N 1 2 328.416 1.016 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)C1CC1 ZINC000374879888 250274205 /nfs/dbraw/zinc/27/42/05/250274205.db2.gz KRHRLGHAVIOMRM-MSOLQXFVSA-N 1 2 331.391 1.527 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)C1CC1 ZINC000374879888 250274210 /nfs/dbraw/zinc/27/42/10/250274210.db2.gz KRHRLGHAVIOMRM-MSOLQXFVSA-N 1 2 331.391 1.527 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413187585 250666544 /nfs/dbraw/zinc/66/65/44/250666544.db2.gz RTTABROMZXCJOV-ZDUSSCGKSA-N 1 2 331.395 1.225 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000417760232 251260019 /nfs/dbraw/zinc/26/00/19/251260019.db2.gz JBSVTFWHVSRDNN-CYBMUJFWSA-N 1 2 338.358 1.481 20 30 EDEDLO C=CCn1cc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)nn1 ZINC000425566791 252307690 /nfs/dbraw/zinc/30/76/90/252307690.db2.gz RBHLWEBMWLWFIN-UHFFFAOYSA-N 1 2 330.392 1.085 20 30 EDEDLO Cc1cc(C[NH+]2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)on1 ZINC000268453690 291890053 /nfs/dbraw/zinc/89/00/53/291890053.db2.gz GIBFLUNNLKYDNB-UHFFFAOYSA-N 1 2 328.332 1.480 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488750899 255053155 /nfs/dbraw/zinc/05/31/55/255053155.db2.gz HUHPHUHZGNCTTP-INIZCTEOSA-N 1 2 334.464 1.265 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488750899 255053156 /nfs/dbraw/zinc/05/31/56/255053156.db2.gz HUHPHUHZGNCTTP-INIZCTEOSA-N 1 2 334.464 1.265 20 30 EDEDLO C#CC[N@@H+](CCc1ccccc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000491039023 255115404 /nfs/dbraw/zinc/11/54/04/255115404.db2.gz MGSRLLDQZBQCNW-OAHLLOKOSA-N 1 2 335.425 1.138 20 30 EDEDLO C#CC[N@H+](CCc1ccccc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 ZINC000491039023 255115406 /nfs/dbraw/zinc/11/54/06/255115406.db2.gz MGSRLLDQZBQCNW-OAHLLOKOSA-N 1 2 335.425 1.138 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)Nc2cccc(F)c2S(C)(=O)=O)CC1 ZINC000491672637 255138543 /nfs/dbraw/zinc/13/85/43/255138543.db2.gz PUFXJRISFGBDIJ-UHFFFAOYSA-N 1 2 338.404 1.513 20 30 EDEDLO C#C[C@@H]1COCC[N@H+]1C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000491681374 255140088 /nfs/dbraw/zinc/14/00/88/255140088.db2.gz MRCYYVYOZNRXNX-CVEARBPZSA-N 1 2 338.448 1.328 20 30 EDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000491681374 255140091 /nfs/dbraw/zinc/14/00/91/255140091.db2.gz MRCYYVYOZNRXNX-CVEARBPZSA-N 1 2 338.448 1.328 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc3c(c2)OCCO3)n1 ZINC000491802744 255147979 /nfs/dbraw/zinc/14/79/79/255147979.db2.gz HBEAODJGPHDBDM-UHFFFAOYSA-N 1 2 341.411 1.936 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc3c(c2)OCCO3)n1 ZINC000491802744 255147980 /nfs/dbraw/zinc/14/79/80/255147980.db2.gz HBEAODJGPHDBDM-UHFFFAOYSA-N 1 2 341.411 1.936 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000491627512 255133759 /nfs/dbraw/zinc/13/37/59/255133759.db2.gz MERRKCLXVKVWNE-MSOLQXFVSA-N 1 2 343.427 1.104 20 30 EDEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000495198189 255272629 /nfs/dbraw/zinc/27/26/29/255272629.db2.gz ZNNCWZRRQPMXTR-WBVHZDCISA-N 1 2 331.416 1.241 20 30 EDEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000495198189 255272630 /nfs/dbraw/zinc/27/26/30/255272630.db2.gz ZNNCWZRRQPMXTR-WBVHZDCISA-N 1 2 331.416 1.241 20 30 EDEDLO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2CC(=O)NCC#N)C1 ZINC000495687825 255315806 /nfs/dbraw/zinc/31/58/06/255315806.db2.gz MAJNVOAUAYHUMY-HUUCEWRRSA-N 1 2 336.436 1.349 20 30 EDEDLO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2CC(=O)NCC#N)C1 ZINC000495687825 255315807 /nfs/dbraw/zinc/31/58/07/255315807.db2.gz MAJNVOAUAYHUMY-HUUCEWRRSA-N 1 2 336.436 1.349 20 30 EDEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccco1 ZINC000264051492 139377950 /nfs/dbraw/zinc/37/79/50/139377950.db2.gz IGBXZRAJHDCZCD-CQSZACIVSA-N 1 2 337.376 1.872 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000154823310 224310846 /nfs/dbraw/zinc/31/08/46/224310846.db2.gz IGEIQNJCWOYCNQ-OAHLLOKOSA-N 1 2 340.427 1.327 20 30 EDEDLO COC(=O)CCc1nc(CO[NH+]=C(N)c2ccc(F)c(C)c2)no1 ZINC000111177004 533463154 /nfs/dbraw/zinc/46/31/54/533463154.db2.gz DITDRUZTYNXKME-UHFFFAOYSA-N 1 2 336.323 1.460 20 30 EDEDLO CO[C@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCOc2ccccc2C#N)C1 ZINC000344709097 143001362 /nfs/dbraw/zinc/00/13/62/143001362.db2.gz CDHMLTQHBNLNKN-GJZGRUSLSA-N 1 2 327.388 1.826 20 30 EDEDLO CO[C@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000344709097 143001363 /nfs/dbraw/zinc/00/13/63/143001363.db2.gz CDHMLTQHBNLNKN-GJZGRUSLSA-N 1 2 327.388 1.826 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000347083766 143280558 /nfs/dbraw/zinc/28/05/58/143280558.db2.gz LKTJYFMMQXNTAJ-QZTJIDSGSA-N 1 2 336.395 1.771 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000347083766 143280559 /nfs/dbraw/zinc/28/05/59/143280559.db2.gz LKTJYFMMQXNTAJ-QZTJIDSGSA-N 1 2 336.395 1.771 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCSC[C@@H]3CCO)o2)cc1 ZINC000347361429 143312686 /nfs/dbraw/zinc/31/26/86/143312686.db2.gz AIAATQYJPJFNKI-AWEZNQCLSA-N 1 2 330.413 1.908 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCSC[C@@H]3CCO)o2)cc1 ZINC000347361429 143312687 /nfs/dbraw/zinc/31/26/87/143312687.db2.gz AIAATQYJPJFNKI-AWEZNQCLSA-N 1 2 330.413 1.908 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000573335093 306618903 /nfs/dbraw/zinc/61/89/03/306618903.db2.gz GKGHBKBHIVJNGX-OAHLLOKOSA-N 1 2 341.459 1.518 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](Cc3cnn(CC(F)F)c3)CC2)n1 ZINC000352956534 149229390 /nfs/dbraw/zinc/22/93/90/149229390.db2.gz VUEDSAAFOVRYIL-UHFFFAOYSA-N 1 2 332.358 1.737 20 30 EDEDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000369973065 155260612 /nfs/dbraw/zinc/26/06/12/155260612.db2.gz JFVOJCOEHAIXBU-JKSUJKDBSA-N 1 2 345.399 1.539 20 30 EDEDLO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000369973065 155260615 /nfs/dbraw/zinc/26/06/15/155260615.db2.gz JFVOJCOEHAIXBU-JKSUJKDBSA-N 1 2 345.399 1.539 20 30 EDEDLO C[C@@H](NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000355134152 150131693 /nfs/dbraw/zinc/13/16/93/150131693.db2.gz XVUPVZMGPALJEG-MRXNPFEDSA-N 1 2 349.438 1.953 20 30 EDEDLO Cn1ncc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1C#N ZINC000355468156 150281395 /nfs/dbraw/zinc/28/13/95/150281395.db2.gz RUCMKRIAOVHSPO-NSHDSACASA-N 1 2 326.404 1.531 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1 ZINC000361437107 152396127 /nfs/dbraw/zinc/39/61/27/152396127.db2.gz GVCVNDWZNJJRBM-SJORKVTESA-N 1 2 329.400 1.355 20 30 EDEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1ccc(C#N)c(Cl)c1)CC2 ZINC000363706725 153035211 /nfs/dbraw/zinc/03/52/11/153035211.db2.gz HMQNMAHUJCHAEP-UHFFFAOYSA-N 1 2 336.804 1.921 20 30 EDEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000364386722 153223916 /nfs/dbraw/zinc/22/39/16/153223916.db2.gz PWBZVJUJGUBUOJ-LLVKDONJSA-N 1 2 336.804 1.701 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCOc3cc(O)ccc3C2)c1 ZINC000367577411 154183208 /nfs/dbraw/zinc/18/32/08/154183208.db2.gz SWCUWJRHROWTGW-UHFFFAOYSA-N 1 2 337.379 1.775 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCOc3cc(O)ccc3C2)c1 ZINC000367577411 154183210 /nfs/dbraw/zinc/18/32/10/154183210.db2.gz SWCUWJRHROWTGW-UHFFFAOYSA-N 1 2 337.379 1.775 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c(C#N)c1C ZINC000368069741 154395251 /nfs/dbraw/zinc/39/52/51/154395251.db2.gz NNOWBTYRQKFZOP-NEPJUHHUSA-N 1 2 332.429 1.243 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c(C#N)c1C ZINC000368069741 154395254 /nfs/dbraw/zinc/39/52/54/154395254.db2.gz NNOWBTYRQKFZOP-NEPJUHHUSA-N 1 2 332.429 1.243 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000372206814 156270255 /nfs/dbraw/zinc/27/02/55/156270255.db2.gz SUTHIYVXYFDLGB-UHFFFAOYSA-N 1 2 329.400 1.768 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000372206814 156270260 /nfs/dbraw/zinc/27/02/60/156270260.db2.gz SUTHIYVXYFDLGB-UHFFFAOYSA-N 1 2 329.400 1.768 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)CCC2 ZINC000372223916 156276278 /nfs/dbraw/zinc/27/62/78/156276278.db2.gz MVQUFWOCDFSKLU-AWEZNQCLSA-N 1 2 337.383 1.696 20 30 EDEDLO C[C@@H]1CCCN1S(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000408289687 158322014 /nfs/dbraw/zinc/32/20/14/158322014.db2.gz IFJCCWPJFKXSRP-OAHLLOKOSA-N 1 2 348.472 1.405 20 30 EDEDLO Cc1nc(C#N)c(N2CCC(C(=O)NCCCn3cc[nH+]c3)CC2)o1 ZINC000352145679 162011931 /nfs/dbraw/zinc/01/19/31/162011931.db2.gz BJGOFCFDSJOXKK-UHFFFAOYSA-N 1 2 342.403 1.474 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000352415628 162171167 /nfs/dbraw/zinc/17/11/67/162171167.db2.gz OQHOPOMFYQSFDX-LSDHHAIUSA-N 1 2 329.791 1.882 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000352415628 162171170 /nfs/dbraw/zinc/17/11/70/162171170.db2.gz OQHOPOMFYQSFDX-LSDHHAIUSA-N 1 2 329.791 1.882 20 30 EDEDLO N#Cc1ccc(C2(C(=O)N3CCN(Cc4[nH]cc[nH+]4)CC3)CC2)cc1 ZINC000352462366 162194553 /nfs/dbraw/zinc/19/45/53/162194553.db2.gz UDTQMBLZJFHFFD-UHFFFAOYSA-N 1 2 335.411 1.657 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCCC(=O)N3)CC2)cc1 ZINC000289848368 270010320 /nfs/dbraw/zinc/01/03/20/270010320.db2.gz FIOKDIYKHAOYCO-KRWDZBQOSA-N 1 2 340.427 1.261 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000298269619 270011358 /nfs/dbraw/zinc/01/13/58/270011358.db2.gz BSHIXUGBEAWMLV-AWEZNQCLSA-N 1 2 329.448 1.607 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329932029 270011607 /nfs/dbraw/zinc/01/16/07/270011607.db2.gz PILLHSVCQNWEBB-ZBFHGGJFSA-N 1 2 330.388 1.517 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329932029 270011608 /nfs/dbraw/zinc/01/16/08/270011608.db2.gz PILLHSVCQNWEBB-ZBFHGGJFSA-N 1 2 330.388 1.517 20 30 EDEDLO C#CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000491783143 270014776 /nfs/dbraw/zinc/01/47/76/270014776.db2.gz QEBQLBSKRCIDAG-MRXNPFEDSA-N 1 2 345.424 1.009 20 30 EDEDLO C#CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000491783143 270014777 /nfs/dbraw/zinc/01/47/77/270014777.db2.gz QEBQLBSKRCIDAG-MRXNPFEDSA-N 1 2 345.424 1.009 20 30 EDEDLO CC[N@@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000298816228 266147727 /nfs/dbraw/zinc/14/77/27/266147727.db2.gz QTQUKBNIWPFJBK-INIZCTEOSA-N 1 2 349.456 1.074 20 30 EDEDLO CC[N@H+]1CCC[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000298816228 266147731 /nfs/dbraw/zinc/14/77/31/266147731.db2.gz QTQUKBNIWPFJBK-INIZCTEOSA-N 1 2 349.456 1.074 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000281022096 266279330 /nfs/dbraw/zinc/27/93/30/266279330.db2.gz VVJYCQIXELZYLH-GOSISDBHSA-N 1 2 340.427 1.421 20 30 EDEDLO C[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000289485912 267024698 /nfs/dbraw/zinc/02/46/98/267024698.db2.gz OOXDOJSBZIQPLH-IUODEOHRSA-N 1 2 331.401 1.422 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@H](C)[NH+]1C ZINC000339066191 267058776 /nfs/dbraw/zinc/05/87/76/267058776.db2.gz IPUXYIDRWLNVTE-GHMZBOCLSA-N 1 2 338.389 1.180 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)c1cc(C#N)cc(N(C)C)c1)[NH+]1CCOCC1 ZINC000293018893 267206356 /nfs/dbraw/zinc/20/63/56/267206356.db2.gz HVHQWKJZJFUXTQ-UONOGXRCSA-N 1 2 330.432 1.463 20 30 EDEDLO CN(CC(=O)Nc1cccc(C#N)c1)C(C)(C)C[NH+]1CCOCC1 ZINC000412093882 267299020 /nfs/dbraw/zinc/29/90/20/267299020.db2.gz PKEZQWRHMAOORX-UHFFFAOYSA-N 1 2 330.432 1.539 20 30 EDEDLO Cc1cc(OCC(=O)NCC(C)(C)[NH+]2CCOCC2)ccc1C#N ZINC000277607880 267351725 /nfs/dbraw/zinc/35/17/25/267351725.db2.gz XQFNMSKRCPLMHH-UHFFFAOYSA-N 1 2 331.416 1.473 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccccc1C#N)C(C)(C)CO ZINC000295642961 267829460 /nfs/dbraw/zinc/82/94/60/267829460.db2.gz DONYZTPZFBQLSU-AWEZNQCLSA-N 1 2 348.428 1.330 20 30 EDEDLO N#Cc1cc2c(nc1N1CC[NH+](CC(=O)NC3CC3)CC1)CCCC2 ZINC000291755234 268023517 /nfs/dbraw/zinc/02/35/17/268023517.db2.gz YVTNLUGBYZWLBX-UHFFFAOYSA-N 1 2 339.443 1.233 20 30 EDEDLO Cc1ccn2cc(CNS(=O)(=O)c3ccccc3C#N)[nH+]c2c1 ZINC000443003774 268062752 /nfs/dbraw/zinc/06/27/52/268062752.db2.gz CDHUDKUFTWLLMZ-UHFFFAOYSA-N 1 2 326.381 1.993 20 30 EDEDLO COC(=O)C1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000274315913 268122792 /nfs/dbraw/zinc/12/27/92/268122792.db2.gz RYUYXFWYEODZAL-UHFFFAOYSA-N 1 2 327.384 1.156 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000290737449 268129601 /nfs/dbraw/zinc/12/96/01/268129601.db2.gz IOGKOPMNFRHEIR-UHFFFAOYSA-N 1 2 341.346 1.765 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000517125829 268251068 /nfs/dbraw/zinc/25/10/68/268251068.db2.gz BTXNYLJNJMEONC-HNNXBMFYSA-N 1 2 330.413 1.722 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000517125829 268251069 /nfs/dbraw/zinc/25/10/69/268251069.db2.gz BTXNYLJNJMEONC-HNNXBMFYSA-N 1 2 330.413 1.722 20 30 EDEDLO N#Cc1cccc(OCCC[NH+]2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000528613190 268283791 /nfs/dbraw/zinc/28/37/91/268283791.db2.gz SZFDUIAZUXDPKQ-UHFFFAOYSA-N 1 2 349.456 1.437 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000528497551 268300250 /nfs/dbraw/zinc/30/02/50/268300250.db2.gz RSKMSUBNJVKFHL-UONOGXRCSA-N 1 2 344.371 1.266 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000528497551 268300252 /nfs/dbraw/zinc/30/02/52/268300252.db2.gz RSKMSUBNJVKFHL-UONOGXRCSA-N 1 2 344.371 1.266 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN1C ZINC000275412216 268338825 /nfs/dbraw/zinc/33/88/25/268338825.db2.gz BRLKVLFYKBEUQA-OZSKJFCKSA-N 1 2 335.411 1.820 20 30 EDEDLO Cc1nc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)ccc1C#N ZINC000275875826 268380365 /nfs/dbraw/zinc/38/03/65/268380365.db2.gz GTHPGMPOKZNFKD-OAHLLOKOSA-N 1 2 336.399 1.398 20 30 EDEDLO Cc1nc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)ccc1C#N ZINC000275875826 268380367 /nfs/dbraw/zinc/38/03/67/268380367.db2.gz GTHPGMPOKZNFKD-OAHLLOKOSA-N 1 2 336.399 1.398 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261615213 301488638 /nfs/dbraw/zinc/48/86/38/301488638.db2.gz CRRXQOAXCWJARS-INIZCTEOSA-N 1 2 342.424 1.597 20 30 EDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000159643549 303192081 /nfs/dbraw/zinc/19/20/81/303192081.db2.gz KQKAGHWWVFMOIF-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000159643549 303192083 /nfs/dbraw/zinc/19/20/83/303192083.db2.gz KQKAGHWWVFMOIF-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(N3CCCCC3=O)CC2)cc1 ZINC000153093806 303200239 /nfs/dbraw/zinc/20/02/39/303200239.db2.gz XNVZXCOGIKAROC-GOSISDBHSA-N 1 2 340.427 1.562 20 30 EDEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@]3(C#N)C[C@@H]3C)CC2)c1 ZINC000448582054 447332143 /nfs/dbraw/zinc/33/21/43/447332143.db2.gz TWSKSNTVAIJADC-LIRRHRJNSA-N 1 2 343.427 1.898 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2F)C[C@@H]1C ZINC000536554753 306022292 /nfs/dbraw/zinc/02/22/92/306022292.db2.gz BZNBVDUCLGPKAN-NWDGAFQWSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2F)C[C@@H]1C ZINC000536554753 306022293 /nfs/dbraw/zinc/02/22/93/306022293.db2.gz BZNBVDUCLGPKAN-NWDGAFQWSA-N 1 2 325.409 1.801 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000546005283 306089543 /nfs/dbraw/zinc/08/95/43/306089543.db2.gz IKZTUMVSHUMJEV-UHFFFAOYSA-N 1 2 332.404 1.799 20 30 EDEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC2(C#N)CCC2)c1 ZINC000419824262 447434095 /nfs/dbraw/zinc/43/40/95/447434095.db2.gz YZRZJZLZOYZPMS-UHFFFAOYSA-N 1 2 337.383 1.836 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000046802217 441125135 /nfs/dbraw/zinc/12/51/35/441125135.db2.gz HHKQOFPZNBPCOZ-NVXWUHKLSA-N 1 2 330.432 1.861 20 30 EDEDLO COC(=O)c1cc(C#N)c(=O)n(Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000073527867 441323059 /nfs/dbraw/zinc/32/30/59/441323059.db2.gz QSFBHOHNEYZGSM-UHFFFAOYSA-N 1 2 327.340 1.575 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000063401932 441327825 /nfs/dbraw/zinc/32/78/25/441327825.db2.gz ROKYNWFDSYIFKQ-MRXNPFEDSA-N 1 2 342.443 1.977 20 30 EDEDLO N#Cc1ccnc(N2CCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000024470990 441311741 /nfs/dbraw/zinc/31/17/41/441311741.db2.gz HAFYRTNRZLFYSR-UHFFFAOYSA-N 1 2 346.394 1.492 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000029891233 441476765 /nfs/dbraw/zinc/47/67/65/441476765.db2.gz LOONNNBSOFQDHN-HNAYVOBHSA-N 1 2 346.475 1.332 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000066315304 441519307 /nfs/dbraw/zinc/51/93/07/441519307.db2.gz DBKMPISGRSEQHZ-HNNXBMFYSA-N 1 2 345.443 1.411 20 30 EDEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000088767559 441519530 /nfs/dbraw/zinc/51/95/30/441519530.db2.gz FSXGWMJGKXWPEY-UHFFFAOYSA-N 1 2 343.774 1.773 20 30 EDEDLO C=CC[N@@H+](CCOc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000066561109 441543638 /nfs/dbraw/zinc/54/36/38/441543638.db2.gz CVRWNLWBUWDCBX-AWEZNQCLSA-N 1 2 325.430 1.749 20 30 EDEDLO C=CC[N@H+](CCOc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000066561109 441543643 /nfs/dbraw/zinc/54/36/43/441543643.db2.gz CVRWNLWBUWDCBX-AWEZNQCLSA-N 1 2 325.430 1.749 20 30 EDEDLO CCOC(=O)NCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000075814981 441556513 /nfs/dbraw/zinc/55/65/13/441556513.db2.gz AZJNOQCEZYJGKQ-UHFFFAOYSA-N 1 2 344.415 1.339 20 30 EDEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000112982235 441574519 /nfs/dbraw/zinc/57/45/19/441574519.db2.gz XGYMXAVMXBBEOH-INIZCTEOSA-N 1 2 328.416 1.830 20 30 EDEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000112982235 441574521 /nfs/dbraw/zinc/57/45/21/441574521.db2.gz XGYMXAVMXBBEOH-INIZCTEOSA-N 1 2 328.416 1.830 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899820 441581676 /nfs/dbraw/zinc/58/16/76/441581676.db2.gz PVIXBRDJNIAVLP-CQSZACIVSA-N 1 2 345.399 1.607 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899820 441581677 /nfs/dbraw/zinc/58/16/77/441581677.db2.gz PVIXBRDJNIAVLP-CQSZACIVSA-N 1 2 345.399 1.607 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000077409326 441775919 /nfs/dbraw/zinc/77/59/19/441775919.db2.gz XZHLGNUVIAPUNW-AWEZNQCLSA-N 1 2 348.472 1.657 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000077409326 441775921 /nfs/dbraw/zinc/77/59/21/441775921.db2.gz XZHLGNUVIAPUNW-AWEZNQCLSA-N 1 2 348.472 1.657 20 30 EDEDLO C[C@H](NC(=O)C[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000078255913 441911011 /nfs/dbraw/zinc/91/10/11/441911011.db2.gz KXUAESNCQHFESS-INIZCTEOSA-N 1 2 349.438 1.953 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(F)cc3)n(C)c2=S)CC1 ZINC000124340670 441918798 /nfs/dbraw/zinc/91/87/98/441918798.db2.gz LPMHBELGJVKYAZ-UHFFFAOYSA-N 1 2 345.447 1.965 20 30 EDEDLO N#CC1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000144071078 441877676 /nfs/dbraw/zinc/87/76/76/441877676.db2.gz IXGALMVQVPJOIY-UHFFFAOYSA-N 1 2 329.404 1.363 20 30 EDEDLO CCn1nc2c(cc1=O)C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000078617590 441952323 /nfs/dbraw/zinc/95/23/23/441952323.db2.gz ZUSXSRDSEMYFAQ-ACJLOTCBSA-N 1 2 345.447 1.064 20 30 EDEDLO CCn1nc2c(cc1=O)C[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000078617590 441952328 /nfs/dbraw/zinc/95/23/28/441952328.db2.gz ZUSXSRDSEMYFAQ-ACJLOTCBSA-N 1 2 345.447 1.064 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161170658 441966493 /nfs/dbraw/zinc/96/64/93/441966493.db2.gz YDQWNHYOJZJEJL-GOSISDBHSA-N 1 2 329.448 1.254 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)C1CC1 ZINC000161379804 441992427 /nfs/dbraw/zinc/99/24/27/441992427.db2.gz MGSULKXOVMOACO-KBPBESRZSA-N 1 2 333.354 1.430 20 30 EDEDLO CC(C)C(=O)N1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000069608977 441987826 /nfs/dbraw/zinc/98/78/26/441987826.db2.gz UPBPHSRXEHEHKY-UHFFFAOYSA-N 1 2 348.491 1.862 20 30 EDEDLO CC(C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000069608977 441987830 /nfs/dbraw/zinc/98/78/30/441987830.db2.gz UPBPHSRXEHEHKY-UHFFFAOYSA-N 1 2 348.491 1.862 20 30 EDEDLO CN(c1nc(CN(CCC#N)CC[NH+]2CCOCC2)cs1)C1CC1 ZINC000151326130 442043070 /nfs/dbraw/zinc/04/30/70/442043070.db2.gz COMCOVGUANOYCO-UHFFFAOYSA-N 1 2 349.504 1.790 20 30 EDEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(Cc3ccc(C#N)o3)CC2)C1 ZINC000121394209 442211671 /nfs/dbraw/zinc/21/16/71/442211671.db2.gz PNPZYSUAFRTWSN-HOTGVXAUSA-N 1 2 344.459 1.773 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000153136002 442263116 /nfs/dbraw/zinc/26/31/16/442263116.db2.gz JCLPLUZMHGQOCQ-SFHVURJKSA-N 1 2 335.411 1.297 20 30 EDEDLO C[C@H](NC(=O)NCc1ccc(C#N)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000170935631 442292341 /nfs/dbraw/zinc/29/23/41/442292341.db2.gz SYVTUVKAONNTDN-STQMWFEESA-N 1 2 334.395 1.606 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3nc(C)sc3c2)CC1 ZINC000154729577 442353348 /nfs/dbraw/zinc/35/33/48/442353348.db2.gz NZNCWKYKLYTLQK-UHFFFAOYSA-N 1 2 328.441 1.794 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000132032864 442385576 /nfs/dbraw/zinc/38/55/76/442385576.db2.gz CWKQBQPYQACPNE-QAPCUYQASA-N 1 2 343.427 1.602 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)c(CC)o2)CC1 ZINC000155483156 442401056 /nfs/dbraw/zinc/40/10/56/442401056.db2.gz PULVJXWMFLDUTI-UHFFFAOYSA-N 1 2 331.416 1.048 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)c(CC)o2)CC1 ZINC000155483156 442401060 /nfs/dbraw/zinc/40/10/60/442401060.db2.gz PULVJXWMFLDUTI-UHFFFAOYSA-N 1 2 331.416 1.048 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CCCOC2)CC1=O ZINC000171568614 442358169 /nfs/dbraw/zinc/35/81/69/442358169.db2.gz UULDXPAXINDNEV-GFCCVEGCSA-N 1 2 326.400 1.825 20 30 EDEDLO CCOCCCNC(=O)[C@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000178145335 442410749 /nfs/dbraw/zinc/41/07/49/442410749.db2.gz XKECHQLKNZDDSM-JTQLQIEISA-N 1 2 328.438 1.214 20 30 EDEDLO CC1CCN(C(=O)C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 ZINC000155593053 442411188 /nfs/dbraw/zinc/41/11/88/442411188.db2.gz HTYQHQIAOMQDCW-HNNXBMFYSA-N 1 2 342.447 1.117 20 30 EDEDLO CC1CCN(C(=O)C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 ZINC000155593053 442411191 /nfs/dbraw/zinc/41/11/91/442411191.db2.gz HTYQHQIAOMQDCW-HNNXBMFYSA-N 1 2 342.447 1.117 20 30 EDEDLO CCCCN(CC)C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155600732 442411442 /nfs/dbraw/zinc/41/14/42/442411442.db2.gz SEZYLFDSXAFWSX-HNNXBMFYSA-N 1 2 344.463 1.507 20 30 EDEDLO CCCCN(CC)C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155600732 442411444 /nfs/dbraw/zinc/41/14/44/442411444.db2.gz SEZYLFDSXAFWSX-HNNXBMFYSA-N 1 2 344.463 1.507 20 30 EDEDLO COCc1noc(CN2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000186288062 442504845 /nfs/dbraw/zinc/50/48/45/442504845.db2.gz ZMDXDJHMPFWVCV-AWEZNQCLSA-N 1 2 341.415 1.966 20 30 EDEDLO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1nnc2ccccn21 ZINC000172619808 442506349 /nfs/dbraw/zinc/50/63/49/442506349.db2.gz CEGOFXVYDKBKSX-JTQLQIEISA-N 1 2 326.385 1.952 20 30 EDEDLO Cn1cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179866406 442512988 /nfs/dbraw/zinc/51/29/88/442512988.db2.gz WDDSQGDTXPLHKV-MRXNPFEDSA-N 1 2 344.440 1.578 20 30 EDEDLO Cn1cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179866406 442512992 /nfs/dbraw/zinc/51/29/92/442512992.db2.gz WDDSQGDTXPLHKV-MRXNPFEDSA-N 1 2 344.440 1.578 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157199606 442560196 /nfs/dbraw/zinc/56/01/96/442560196.db2.gz TTWYEISPPJFQHT-DYVFJYSZSA-N 1 2 338.452 1.640 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000157199606 442560198 /nfs/dbraw/zinc/56/01/98/442560198.db2.gz TTWYEISPPJFQHT-DYVFJYSZSA-N 1 2 338.452 1.640 20 30 EDEDLO C=CC[NH+](CC=C)Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000158122733 442647503 /nfs/dbraw/zinc/64/75/03/442647503.db2.gz NCRHFOAZEWYREY-UHFFFAOYSA-N 1 2 336.457 1.882 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000192574341 442664425 /nfs/dbraw/zinc/66/44/25/442664425.db2.gz XDPRLJXAEOKOFC-JKSUJKDBSA-N 1 2 349.456 1.168 20 30 EDEDLO C#CCOc1ccccc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000188081980 442709185 /nfs/dbraw/zinc/70/91/85/442709185.db2.gz QXPIICKDSGJEGU-CABCVRRESA-N 1 2 331.416 1.929 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000268129842 442860746 /nfs/dbraw/zinc/86/07/46/442860746.db2.gz ORHSCWKQDORRDF-QGZVFWFLSA-N 1 2 326.400 1.234 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000268129842 442860749 /nfs/dbraw/zinc/86/07/49/442860749.db2.gz ORHSCWKQDORRDF-QGZVFWFLSA-N 1 2 326.400 1.234 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000189120132 442881631 /nfs/dbraw/zinc/88/16/31/442881631.db2.gz MKLOAQKHFVSTEC-ZDUSSCGKSA-N 1 2 325.372 1.819 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000248541460 442898994 /nfs/dbraw/zinc/89/89/94/442898994.db2.gz BOKDQYBISGTRHE-IJEWVQPXSA-N 1 2 348.447 1.431 20 30 EDEDLO C[C@]([NH2+]CC(=O)NC1(C#N)CCCCC1)(C(N)=O)c1ccccc1 ZINC000195224654 442998576 /nfs/dbraw/zinc/99/85/76/442998576.db2.gz NDGULKAGEPOEAE-QGZVFWFLSA-N 1 2 328.416 1.319 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000249739073 443003155 /nfs/dbraw/zinc/00/31/55/443003155.db2.gz HOEGCKLVFTYKAB-LPHOPBHVSA-N 1 2 342.443 1.604 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000249739073 443003159 /nfs/dbraw/zinc/00/31/59/443003159.db2.gz HOEGCKLVFTYKAB-LPHOPBHVSA-N 1 2 342.443 1.604 20 30 EDEDLO C=CCN(CCOC)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000190749173 443176444 /nfs/dbraw/zinc/17/64/44/443176444.db2.gz GEYDPOFKEXVAIK-UHFFFAOYSA-N 1 2 328.372 1.472 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000266912246 443288741 /nfs/dbraw/zinc/28/87/41/443288741.db2.gz LXXMLMJPDLPNAL-UHFFFAOYSA-N 1 2 340.387 1.481 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000266848460 443266189 /nfs/dbraw/zinc/26/61/89/443266189.db2.gz BNIJGGXYWPPLJY-HNNXBMFYSA-N 1 2 347.440 1.155 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000266848460 443266197 /nfs/dbraw/zinc/26/61/97/443266197.db2.gz BNIJGGXYWPPLJY-HNNXBMFYSA-N 1 2 347.440 1.155 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000282361090 443315891 /nfs/dbraw/zinc/31/58/91/443315891.db2.gz BEYSPSPAOOOXBQ-AWEZNQCLSA-N 1 2 347.444 1.357 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000278717330 443411721 /nfs/dbraw/zinc/41/17/21/443411721.db2.gz SKSUAXITXYPLTR-LJQANCHMSA-N 1 2 345.443 1.533 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cnn(CCOC)c2)c1 ZINC000271124826 443491501 /nfs/dbraw/zinc/49/15/01/443491501.db2.gz LVZFNHGJWNAXKH-UHFFFAOYSA-N 1 2 326.400 1.581 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cnn(CCOC)c2)c1 ZINC000271124826 443491505 /nfs/dbraw/zinc/49/15/05/443491505.db2.gz LVZFNHGJWNAXKH-UHFFFAOYSA-N 1 2 326.400 1.581 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000282888464 443460640 /nfs/dbraw/zinc/46/06/40/443460640.db2.gz QJCSKXTVRQPTCE-LBPRGKRZSA-N 1 2 342.490 1.032 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000282888464 443460645 /nfs/dbraw/zinc/46/06/45/443460645.db2.gz QJCSKXTVRQPTCE-LBPRGKRZSA-N 1 2 342.490 1.032 20 30 EDEDLO COC(=O)[C@H]1CC12CC[NH+](CC(=O)Nc1oc(C)c(C)c1C#N)CC2 ZINC000265006865 443507296 /nfs/dbraw/zinc/50/72/96/443507296.db2.gz FBNXMQSWKRQHQY-CQSZACIVSA-N 1 2 345.399 1.982 20 30 EDEDLO CC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCCCC#N)CC2)cc1 ZINC000271966297 443520232 /nfs/dbraw/zinc/52/02/32/443520232.db2.gz CZRSLSPYRDODOK-UHFFFAOYSA-N 1 2 349.456 1.889 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000273075323 443531774 /nfs/dbraw/zinc/53/17/74/443531774.db2.gz BHIHVLVBQJJUGD-AWEZNQCLSA-N 1 2 348.403 1.036 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000273075323 443531777 /nfs/dbraw/zinc/53/17/77/443531777.db2.gz BHIHVLVBQJJUGD-AWEZNQCLSA-N 1 2 348.403 1.036 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000273083916 443534820 /nfs/dbraw/zinc/53/48/20/443534820.db2.gz JNFCDUZTWWKPDL-ZDUSSCGKSA-N 1 2 349.456 1.959 20 30 EDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccccc1OCC#N ZINC000279035735 443496906 /nfs/dbraw/zinc/49/69/06/443496906.db2.gz BCBLKBHESQSXNB-UHFFFAOYSA-N 1 2 331.416 1.772 20 30 EDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccccc1OCC#N ZINC000279035735 443496911 /nfs/dbraw/zinc/49/69/11/443496911.db2.gz BCBLKBHESQSXNB-UHFFFAOYSA-N 1 2 331.416 1.772 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000279923942 443642878 /nfs/dbraw/zinc/64/28/78/443642878.db2.gz FNJXBSIYARKOME-JKSUJKDBSA-N 1 2 331.464 1.298 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000279923942 443642881 /nfs/dbraw/zinc/64/28/81/443642881.db2.gz FNJXBSIYARKOME-JKSUJKDBSA-N 1 2 331.464 1.298 20 30 EDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCN(CC#N)CC1 ZINC000280120399 443667200 /nfs/dbraw/zinc/66/72/00/443667200.db2.gz LVHWJMYPJDATKD-UHFFFAOYSA-N 1 2 333.342 1.291 20 30 EDEDLO C#CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000286231082 443672657 /nfs/dbraw/zinc/67/26/57/443672657.db2.gz CJMWFSXAFNAPDM-UHFFFAOYSA-N 1 2 348.450 1.866 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000286653339 443719881 /nfs/dbraw/zinc/71/98/81/443719881.db2.gz CCQXGJRVQTVHSB-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000286653339 443719884 /nfs/dbraw/zinc/71/98/84/443719884.db2.gz CCQXGJRVQTVHSB-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO C=CCOc1ccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000286726411 443722102 /nfs/dbraw/zinc/72/21/02/443722102.db2.gz CSCGYZDFXKHHMS-ZWKOTPCHSA-N 1 2 345.443 1.866 20 30 EDEDLO C=CCOc1ccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000286726411 443722103 /nfs/dbraw/zinc/72/21/03/443722103.db2.gz CSCGYZDFXKHHMS-ZWKOTPCHSA-N 1 2 345.443 1.866 20 30 EDEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000283808853 443727447 /nfs/dbraw/zinc/72/74/47/443727447.db2.gz WZPGYFJINVGPID-GJYPPUQNSA-N 1 2 339.443 1.849 20 30 EDEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000283808853 443727449 /nfs/dbraw/zinc/72/74/49/443727449.db2.gz WZPGYFJINVGPID-GJYPPUQNSA-N 1 2 339.443 1.849 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280615695 443738000 /nfs/dbraw/zinc/73/80/00/443738000.db2.gz WFRPJWROVZPHGM-GLJUWKHASA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280615695 443738002 /nfs/dbraw/zinc/73/80/02/443738002.db2.gz WFRPJWROVZPHGM-GLJUWKHASA-N 1 2 329.400 1.765 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1Cc1ccccc1 ZINC000287377448 443742366 /nfs/dbraw/zinc/74/23/66/443742366.db2.gz NHDIYFWEADWXOL-HNNXBMFYSA-N 1 2 345.424 1.699 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)o2)C[C@@H]1Cc1ccccc1 ZINC000287377448 443742367 /nfs/dbraw/zinc/74/23/67/443742367.db2.gz NHDIYFWEADWXOL-HNNXBMFYSA-N 1 2 345.424 1.699 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000280734600 443743191 /nfs/dbraw/zinc/74/31/91/443743191.db2.gz WFRXYJSVNGYDJB-UHFFFAOYSA-N 1 2 327.388 1.541 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000280734600 443743194 /nfs/dbraw/zinc/74/31/94/443743194.db2.gz WFRXYJSVNGYDJB-UHFFFAOYSA-N 1 2 327.388 1.541 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)C[C@H]21 ZINC000284190155 443768796 /nfs/dbraw/zinc/76/87/96/443768796.db2.gz SPHTVAOBMQNTPG-DSCOKBBTSA-N 1 2 341.411 1.534 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)C[C@H]21 ZINC000284190155 443768803 /nfs/dbraw/zinc/76/88/03/443768803.db2.gz SPHTVAOBMQNTPG-DSCOKBBTSA-N 1 2 341.411 1.534 20 30 EDEDLO N#Cc1cc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)ccc1F ZINC000284160232 443769120 /nfs/dbraw/zinc/76/91/20/443769120.db2.gz ZYJKTFQUBLUMNC-UHFFFAOYSA-N 1 2 343.362 1.478 20 30 EDEDLO NC(=[NH+]OCC(=O)NCCOc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000284399297 443774066 /nfs/dbraw/zinc/77/40/66/443774066.db2.gz MYIGHHJLZFMWAT-ZDUSSCGKSA-N 1 2 341.795 1.303 20 30 EDEDLO CC(C)(CNC(=O)CCNC(O)=C1N=CC=CC1=O)C[NH+]1CCCC1 ZINC000276735351 443807553 /nfs/dbraw/zinc/80/75/53/443807553.db2.gz CCLPGACJJVEJQG-MSUUIHNZSA-N 1 2 348.447 1.141 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccccc2OC)C1=O ZINC000281321614 443879463 /nfs/dbraw/zinc/87/94/63/443879463.db2.gz LHUZOWZCYCIGII-HOCLYGCPSA-N 1 2 345.443 1.591 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccccc2OC)C1=O ZINC000281321614 443879467 /nfs/dbraw/zinc/87/94/67/443879467.db2.gz LHUZOWZCYCIGII-HOCLYGCPSA-N 1 2 345.443 1.591 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N2CCc3ccccc3C2)C1=O ZINC000281370097 443891927 /nfs/dbraw/zinc/89/19/27/443891927.db2.gz OJBCDTQNOMPXBR-CRAIPNDOSA-N 1 2 341.455 1.679 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N2CCc3ccccc3C2)C1=O ZINC000281370097 443891932 /nfs/dbraw/zinc/89/19/32/443891932.db2.gz OJBCDTQNOMPXBR-CRAIPNDOSA-N 1 2 341.455 1.679 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1=O ZINC000281538091 443939177 /nfs/dbraw/zinc/93/91/77/443939177.db2.gz ZGEZWKPNCLNHIS-CQSZACIVSA-N 1 2 327.388 1.893 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1)C1CC1 ZINC000281565429 443945925 /nfs/dbraw/zinc/94/59/25/443945925.db2.gz DANJYONKNJXJAI-LZLYRXPVSA-N 1 2 331.391 1.742 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1)C1CC1 ZINC000281565429 443945927 /nfs/dbraw/zinc/94/59/27/443945927.db2.gz DANJYONKNJXJAI-LZLYRXPVSA-N 1 2 331.391 1.742 20 30 EDEDLO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000293204916 443950374 /nfs/dbraw/zinc/95/03/74/443950374.db2.gz UPMFWADNFNFXFL-CYBMUJFWSA-N 1 2 335.473 1.953 20 30 EDEDLO C#CCNC(=O)CC[N@H+]1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000293204916 443950379 /nfs/dbraw/zinc/95/03/79/443950379.db2.gz UPMFWADNFNFXFL-CYBMUJFWSA-N 1 2 335.473 1.953 20 30 EDEDLO C=CCCCS(=O)(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000293034589 443908145 /nfs/dbraw/zinc/90/81/45/443908145.db2.gz PQDYFSWLXUUDKD-UHFFFAOYSA-N 1 2 338.473 1.904 20 30 EDEDLO CC#CC[N@H+](C)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000293088694 443921360 /nfs/dbraw/zinc/92/13/60/443921360.db2.gz KEQLCGWTHYNQLT-UHFFFAOYSA-N 1 2 345.468 1.769 20 30 EDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000293088694 443921367 /nfs/dbraw/zinc/92/13/67/443921367.db2.gz KEQLCGWTHYNQLT-UHFFFAOYSA-N 1 2 345.468 1.769 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1=O ZINC000281485046 443924325 /nfs/dbraw/zinc/92/43/25/443924325.db2.gz WXCKOMYAOPVMPC-ZDUSSCGKSA-N 1 2 330.344 1.955 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1=O ZINC000281485046 443924329 /nfs/dbraw/zinc/92/43/29/443924329.db2.gz WXCKOMYAOPVMPC-ZDUSSCGKSA-N 1 2 330.344 1.955 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281507513 443929996 /nfs/dbraw/zinc/92/99/96/443929996.db2.gz YMNCPNHNBKYFDE-ILXRZTDVSA-N 1 2 329.356 1.203 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281507513 443929998 /nfs/dbraw/zinc/92/99/98/443929998.db2.gz YMNCPNHNBKYFDE-ILXRZTDVSA-N 1 2 329.356 1.203 20 30 EDEDLO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000293120512 443930036 /nfs/dbraw/zinc/93/00/36/443930036.db2.gz VJGBQEIWHWHODD-UGFHNGPFSA-N 1 2 325.359 1.556 20 30 EDEDLO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000293120512 443930042 /nfs/dbraw/zinc/93/00/42/443930042.db2.gz VJGBQEIWHWHODD-UGFHNGPFSA-N 1 2 325.359 1.556 20 30 EDEDLO C=CCc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc(OC)c1OC ZINC000299418564 444040477 /nfs/dbraw/zinc/04/04/77/444040477.db2.gz ASPREHSTQTXSDK-OAHLLOKOSA-N 1 2 334.416 1.493 20 30 EDEDLO C=CCc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc(OC)c1OC ZINC000299418564 444040479 /nfs/dbraw/zinc/04/04/79/444040479.db2.gz ASPREHSTQTXSDK-OAHLLOKOSA-N 1 2 334.416 1.493 20 30 EDEDLO C=CCCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000285625976 444052114 /nfs/dbraw/zinc/05/21/14/444052114.db2.gz SORLPHRSHQQDJF-OAHLLOKOSA-N 1 2 336.436 1.780 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccsc3)CC2)C1=O ZINC000281981141 444054597 /nfs/dbraw/zinc/05/45/97/444054597.db2.gz LYFRTQIKLTXVEV-OAHLLOKOSA-N 1 2 333.457 1.683 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccsc3)CC2)C1=O ZINC000281981141 444054601 /nfs/dbraw/zinc/05/46/01/444054601.db2.gz LYFRTQIKLTXVEV-OAHLLOKOSA-N 1 2 333.457 1.683 20 30 EDEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000563936278 321116228 /nfs/dbraw/zinc/11/62/28/321116228.db2.gz FZLOKWJDRJLWOB-ZDUSSCGKSA-N 1 2 325.409 1.802 20 30 EDEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)cc1F ZINC000563936278 321116229 /nfs/dbraw/zinc/11/62/29/321116229.db2.gz FZLOKWJDRJLWOB-ZDUSSCGKSA-N 1 2 325.409 1.802 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)c3cccc(OC)c3)CC2)C1=O ZINC000282117098 444090707 /nfs/dbraw/zinc/09/07/07/444090707.db2.gz XNIAQIPJEJIRHB-QGZVFWFLSA-N 1 2 343.427 1.240 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1nccc(C#N)n1 ZINC000294858627 444151272 /nfs/dbraw/zinc/15/12/72/444151272.db2.gz CWDOVXCSXZHMTJ-ZFWWWQNUSA-N 1 2 329.383 1.131 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1nccc(C#N)n1 ZINC000294858627 444151277 /nfs/dbraw/zinc/15/12/77/444151277.db2.gz CWDOVXCSXZHMTJ-ZFWWWQNUSA-N 1 2 329.383 1.131 20 30 EDEDLO N#CCN1CC[NH+](Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000294932074 444159570 /nfs/dbraw/zinc/15/95/70/444159570.db2.gz UNXJHUFEHZSOBA-UHFFFAOYSA-N 1 2 334.851 1.818 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC000295506703 444187039 /nfs/dbraw/zinc/18/70/39/444187039.db2.gz HOPJXWOCRHXFNC-WMZOPIPTSA-N 1 2 345.443 1.632 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCOC[C@@H](O)C2)c1 ZINC000295506703 444187041 /nfs/dbraw/zinc/18/70/41/444187041.db2.gz HOPJXWOCRHXFNC-WMZOPIPTSA-N 1 2 345.443 1.632 20 30 EDEDLO O=C(CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)NC1CCCC1 ZINC000328769448 444346686 /nfs/dbraw/zinc/34/66/86/444346686.db2.gz INHPDLMXBCDRRA-INIZCTEOSA-N 1 2 337.464 1.989 20 30 EDEDLO CC(C)(CNC(=O)NCCC(=O)N1CCCCC1)[NH+]1CCOCC1 ZINC000328775191 444348385 /nfs/dbraw/zinc/34/83/85/444348385.db2.gz HUVKPXJFOAOFOY-UHFFFAOYSA-N 1 2 340.468 1.003 20 30 EDEDLO CSCCCCNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000331041288 444371003 /nfs/dbraw/zinc/37/10/03/444371003.db2.gz QOHYYAAJWYCVHT-ZDUSSCGKSA-N 1 2 325.482 1.766 20 30 EDEDLO O=C(NCc1ccnc(N2CCOCC2)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328921258 444403764 /nfs/dbraw/zinc/40/37/64/444403764.db2.gz MCJXWAXVNCZABA-OAHLLOKOSA-N 1 2 341.415 1.834 20 30 EDEDLO CC(C)(CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)N1CCS(=O)CC1 ZINC000328936344 444411556 /nfs/dbraw/zinc/41/15/56/444411556.db2.gz FWRDLTBYMZJEEP-CYBMUJFWSA-N 1 2 338.477 1.245 20 30 EDEDLO Cc1ccncc1C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000331141630 444413861 /nfs/dbraw/zinc/41/38/61/444413861.db2.gz XNZYOSSSEOUBBX-SFHVURJKSA-N 1 2 343.475 1.514 20 30 EDEDLO Cc1ccncc1C[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000331141630 444413866 /nfs/dbraw/zinc/41/38/66/444413866.db2.gz XNZYOSSSEOUBBX-SFHVURJKSA-N 1 2 343.475 1.514 20 30 EDEDLO O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328650884 444414072 /nfs/dbraw/zinc/41/40/72/444414072.db2.gz BFPGLYXMOVISQP-HOCLYGCPSA-N 1 2 347.463 1.745 20 30 EDEDLO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)NC(=O)c1ccccc1 ZINC000328859750 444377582 /nfs/dbraw/zinc/37/75/82/444377582.db2.gz AERSBGBHJBPUMX-OIISXLGYSA-N 1 2 345.443 1.701 20 30 EDEDLO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)NC(=O)c1ccccc1 ZINC000328859750 444377587 /nfs/dbraw/zinc/37/75/87/444377587.db2.gz AERSBGBHJBPUMX-OIISXLGYSA-N 1 2 345.443 1.701 20 30 EDEDLO Cc1ncsc1CNC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331219604 444448489 /nfs/dbraw/zinc/44/84/89/444448489.db2.gz AUIWLESRBAFVHK-LLVKDONJSA-N 1 2 341.437 1.033 20 30 EDEDLO Cc1ncsc1CNC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000331219604 444448491 /nfs/dbraw/zinc/44/84/91/444448491.db2.gz AUIWLESRBAFVHK-LLVKDONJSA-N 1 2 341.437 1.033 20 30 EDEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1ccc(C#N)cc1 ZINC000340595099 444455026 /nfs/dbraw/zinc/45/50/26/444455026.db2.gz FEQYZEUPCPYALJ-OAHLLOKOSA-N 1 2 326.356 1.114 20 30 EDEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1ccc(C#N)cc1 ZINC000340595099 444455029 /nfs/dbraw/zinc/45/50/29/444455029.db2.gz FEQYZEUPCPYALJ-OAHLLOKOSA-N 1 2 326.356 1.114 20 30 EDEDLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CC12CCCCC2 ZINC000329100379 444471937 /nfs/dbraw/zinc/47/19/37/444471937.db2.gz DRXFSCPYQOLWBY-HNNXBMFYSA-N 1 2 347.463 2.264 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cnc4c(c3)CCCC4)C[C@H]21 ZINC000328973079 444430061 /nfs/dbraw/zinc/43/00/61/444430061.db2.gz PGEYVOQUYKPONX-SJORKVTESA-N 1 2 330.432 1.911 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cnc4c(c3)CCCC4)C[C@H]21 ZINC000328973079 444430064 /nfs/dbraw/zinc/43/00/64/444430064.db2.gz PGEYVOQUYKPONX-SJORKVTESA-N 1 2 330.432 1.911 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC(=O)NC12CCC2)[NH+]1CCOCC1 ZINC000328727170 444442125 /nfs/dbraw/zinc/44/21/25/444442125.db2.gz DALWCKRHIGUTND-BFHYXJOUSA-N 1 2 338.452 1.641 20 30 EDEDLO CC(C)[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CCO1 ZINC000329141263 444482258 /nfs/dbraw/zinc/48/22/58/444482258.db2.gz KCUYTGYNGWJIHD-IRXDYDNUSA-N 1 2 349.479 1.655 20 30 EDEDLO C[C@@H](CC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)n1cc[nH+]c1 ZINC000581013565 322124852 /nfs/dbraw/zinc/12/48/52/322124852.db2.gz BHTXHZFUWPOWGG-DZGCQCFKSA-N 1 2 325.372 1.781 20 30 EDEDLO C[C@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000581765983 322217534 /nfs/dbraw/zinc/21/75/34/322217534.db2.gz KCVMTUSDKIDACU-BBRMVZONSA-N 1 2 329.400 1.355 20 30 EDEDLO C[C@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000581765983 322217536 /nfs/dbraw/zinc/21/75/36/322217536.db2.gz KCVMTUSDKIDACU-BBRMVZONSA-N 1 2 329.400 1.355 20 30 EDEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000329268353 444517594 /nfs/dbraw/zinc/51/75/94/444517594.db2.gz DSIITGKVFMPUAQ-HOCLYGCPSA-N 1 2 345.447 1.581 20 30 EDEDLO C[C@@H]1C(=O)NCCN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329341389 444541160 /nfs/dbraw/zinc/54/11/60/444541160.db2.gz OYARQOFIAKFJEE-DGCLKSJQSA-N 1 2 335.408 1.462 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1C[C@@H](O)C1(C)C)C1CCOCC1 ZINC000329363891 444550955 /nfs/dbraw/zinc/55/09/55/444550955.db2.gz ZTKFAUWIRSJINX-MGPQQGTHSA-N 1 2 336.436 1.551 20 30 EDEDLO CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000329559462 444628464 /nfs/dbraw/zinc/62/84/64/444628464.db2.gz IMBSXXBGQPXSAH-OAHLLOKOSA-N 1 2 347.463 1.897 20 30 EDEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@]2(CCOC2)O1 ZINC000329622996 444653938 /nfs/dbraw/zinc/65/39/38/444653938.db2.gz SBDIZJKXUGBYJY-SJKOYZFVSA-N 1 2 334.420 1.451 20 30 EDEDLO CC1(C)CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@]2(CCOC2)O1 ZINC000329622996 444653942 /nfs/dbraw/zinc/65/39/42/444653942.db2.gz SBDIZJKXUGBYJY-SJKOYZFVSA-N 1 2 334.420 1.451 20 30 EDEDLO Cn1c(CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)nc2ccccc21 ZINC000329625981 444654504 /nfs/dbraw/zinc/65/45/04/444654504.db2.gz TUDSPFPAKHUURV-LSDHHAIUSA-N 1 2 329.404 1.002 20 30 EDEDLO Cn1c(CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc2ccccc21 ZINC000329625981 444654506 /nfs/dbraw/zinc/65/45/06/444654506.db2.gz TUDSPFPAKHUURV-LSDHHAIUSA-N 1 2 329.404 1.002 20 30 EDEDLO C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000329633589 444657791 /nfs/dbraw/zinc/65/77/91/444657791.db2.gz WSQNZKYUKLBFJP-OAGGEKHMSA-N 1 2 347.463 1.615 20 30 EDEDLO C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000329633589 444657794 /nfs/dbraw/zinc/65/77/94/444657794.db2.gz WSQNZKYUKLBFJP-OAGGEKHMSA-N 1 2 347.463 1.615 20 30 EDEDLO O=C1C[C@H]([NH+]=C([O-])N[C@@H]2CCc3[nH]c[nH+]c3C2)CN1C1CCCCC1 ZINC000329640405 444660403 /nfs/dbraw/zinc/66/04/03/444660403.db2.gz ZUXPUUSFDCVJTL-OLZOCXBDSA-N 1 2 345.447 1.704 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCC2CCOCC2)CC1 ZINC000329643802 444663067 /nfs/dbraw/zinc/66/30/67/444663067.db2.gz YZRZGHFUSROECR-CQSZACIVSA-N 1 2 337.464 1.845 20 30 EDEDLO COC1CCC(CCNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000329651690 444665988 /nfs/dbraw/zinc/66/59/88/444665988.db2.gz CYSNQZWOHQNNST-FJBKBRRZSA-N 1 2 325.453 1.511 20 30 EDEDLO COC1CCC(CCNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000329651690 444665993 /nfs/dbraw/zinc/66/59/93/444665993.db2.gz CYSNQZWOHQNNST-FJBKBRRZSA-N 1 2 325.453 1.511 20 30 EDEDLO CC(C)[C@H](CNC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000329610489 444647259 /nfs/dbraw/zinc/64/72/59/444647259.db2.gz RETMYOBEZQGOAD-OCGLXOCMSA-N 1 2 345.509 1.099 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342475357 444706655 /nfs/dbraw/zinc/70/66/55/444706655.db2.gz AZFUIHJAHGKIAW-HSALFYBXSA-N 1 2 340.471 1.732 20 30 EDEDLO CCCN(C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CC1 ZINC000329820913 444728911 /nfs/dbraw/zinc/72/89/11/444728911.db2.gz GYXVVEXXXALWBJ-UHFFFAOYSA-N 1 2 345.447 1.889 20 30 EDEDLO C[C@@]1(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCCOC1 ZINC000329715200 444689944 /nfs/dbraw/zinc/68/99/44/444689944.db2.gz UQTWAYKOFVPJKT-GOSISDBHSA-N 1 2 337.464 1.704 20 30 EDEDLO CN1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1=O ZINC000329719357 444691385 /nfs/dbraw/zinc/69/13/85/444691385.db2.gz DHDFACXTLSLPRX-UKRRQHHQSA-N 1 2 338.358 1.356 20 30 EDEDLO CN1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1=O ZINC000329719357 444691392 /nfs/dbraw/zinc/69/13/92/444691392.db2.gz DHDFACXTLSLPRX-UKRRQHHQSA-N 1 2 338.358 1.356 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)CC2)cn1 ZINC000329940690 444778758 /nfs/dbraw/zinc/77/87/58/444778758.db2.gz BUHOCORZGXHUDS-BBWFWOEESA-N 1 2 347.463 1.409 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338623764 444779262 /nfs/dbraw/zinc/77/92/62/444779262.db2.gz CXRPMOLNFNHHKW-BYLPVYNFSA-N 1 2 325.428 1.712 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338623764 444779265 /nfs/dbraw/zinc/77/92/65/444779265.db2.gz CXRPMOLNFNHHKW-BYLPVYNFSA-N 1 2 325.428 1.712 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C2CCC(O)CC2)cn1 ZINC000329978466 444796248 /nfs/dbraw/zinc/79/62/48/444796248.db2.gz HQLNDQLEFSLBQX-PYBGIAKNSA-N 1 2 338.427 1.840 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C2CCC(O)CC2)cn1 ZINC000329978466 444796252 /nfs/dbraw/zinc/79/62/52/444796252.db2.gz HQLNDQLEFSLBQX-PYBGIAKNSA-N 1 2 338.427 1.840 20 30 EDEDLO C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000329993680 444803807 /nfs/dbraw/zinc/80/38/07/444803807.db2.gz YPJYCCBATQZGFW-CHWSQXEVSA-N 1 2 333.388 1.834 20 30 EDEDLO C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000329993680 444803809 /nfs/dbraw/zinc/80/38/09/444803809.db2.gz YPJYCCBATQZGFW-CHWSQXEVSA-N 1 2 333.388 1.834 20 30 EDEDLO C[N@@H+]1CCc2nc(NC(=O)c3cn([C@@H]4CCOC4)nn3)sc2C1 ZINC000330033317 444818938 /nfs/dbraw/zinc/81/89/38/444818938.db2.gz ADRPZAXLQKWOKQ-SECBINFHSA-N 1 2 334.405 1.320 20 30 EDEDLO C[N@H+]1CCc2nc(NC(=O)c3cn([C@@H]4CCOC4)nn3)sc2C1 ZINC000330033317 444818941 /nfs/dbraw/zinc/81/89/41/444818941.db2.gz ADRPZAXLQKWOKQ-SECBINFHSA-N 1 2 334.405 1.320 20 30 EDEDLO CC(=O)N1CC[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000329966032 444790629 /nfs/dbraw/zinc/79/06/29/444790629.db2.gz VKCCMCZUMDBKFA-INIZCTEOSA-N 1 2 331.416 1.444 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CC[C@H](O)CC2)C1 ZINC000330061961 444830604 /nfs/dbraw/zinc/83/06/04/444830604.db2.gz OTOLSHLCPCPVLK-RBSFLKMASA-N 1 2 333.436 1.200 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CC[C@H](O)CC2)C1 ZINC000330061961 444830609 /nfs/dbraw/zinc/83/06/09/444830609.db2.gz OTOLSHLCPCPVLK-RBSFLKMASA-N 1 2 333.436 1.200 20 30 EDEDLO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H]1OCCc2sccc21 ZINC000330182884 444877588 /nfs/dbraw/zinc/87/75/88/444877588.db2.gz HNQZFIPYVVDXBQ-YWPYICTPSA-N 1 2 339.461 1.585 20 30 EDEDLO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H]1OCCc2sccc21 ZINC000330182884 444877592 /nfs/dbraw/zinc/87/75/92/444877592.db2.gz HNQZFIPYVVDXBQ-YWPYICTPSA-N 1 2 339.461 1.585 20 30 EDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000341590197 444910419 /nfs/dbraw/zinc/91/04/19/444910419.db2.gz UNJGXEJQLAOFKZ-CYBMUJFWSA-N 1 2 327.363 1.905 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH]nc2[C@H]2CCOC2)CC1 ZINC000330356725 444950806 /nfs/dbraw/zinc/95/08/06/444950806.db2.gz RZOHMOXZDFISCX-ZDUSSCGKSA-N 1 2 349.435 1.038 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH]nc2[C@H]2CCOC2)CC1 ZINC000330356725 444950809 /nfs/dbraw/zinc/95/08/09/444950809.db2.gz RZOHMOXZDFISCX-ZDUSSCGKSA-N 1 2 349.435 1.038 20 30 EDEDLO CS[C@H](C)CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000330380044 444960172 /nfs/dbraw/zinc/96/01/72/444960172.db2.gz LQTQBCMUHSBXFM-TZMCWYRMSA-N 1 2 333.523 1.449 20 30 EDEDLO C[C@@](O)(CNC(=O)c1cc(O)ccc1Cl)C[NH+]1CCOCC1 ZINC000330546992 445029288 /nfs/dbraw/zinc/02/92/88/445029288.db2.gz VLMZXQQFSOECAN-OAHLLOKOSA-N 1 2 328.796 1.433 20 30 EDEDLO COCC[NH+]1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000341801555 445008231 /nfs/dbraw/zinc/00/82/31/445008231.db2.gz WTVCGELUTOGKHY-GOSISDBHSA-N 1 2 345.443 1.752 20 30 EDEDLO N#Cc1cnc(NCC[NH+]2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000339131485 445047627 /nfs/dbraw/zinc/04/76/27/445047627.db2.gz IZDZLIHLORGBGX-UHFFFAOYSA-N 1 2 343.822 1.631 20 30 EDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000330655141 445081250 /nfs/dbraw/zinc/08/12/50/445081250.db2.gz TVLFFMBGYTYMGH-AWEZNQCLSA-N 1 2 325.409 1.599 20 30 EDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000330655141 445081252 /nfs/dbraw/zinc/08/12/52/445081252.db2.gz TVLFFMBGYTYMGH-AWEZNQCLSA-N 1 2 325.409 1.599 20 30 EDEDLO CC[C@H](CC#N)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339353287 445132794 /nfs/dbraw/zinc/13/27/94/445132794.db2.gz UWLUKDIXJDFENK-GDBMZVCRSA-N 1 2 345.447 1.826 20 30 EDEDLO CC[C@H](CC#N)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339353287 445132796 /nfs/dbraw/zinc/13/27/96/445132796.db2.gz UWLUKDIXJDFENK-GDBMZVCRSA-N 1 2 345.447 1.826 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000343258443 445164667 /nfs/dbraw/zinc/16/46/67/445164667.db2.gz IDFZWYPDGQBYKB-HZPDHXFCSA-N 1 2 337.464 1.028 20 30 EDEDLO CN(C)C(=O)COC[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)CC(C)(C)O1 ZINC000343338401 445204080 /nfs/dbraw/zinc/20/40/80/445204080.db2.gz JVKHNAZFXCAALH-HUUCEWRRSA-N 1 2 336.436 1.014 20 30 EDEDLO CN(C)C(=O)COC[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CC(C)(C)O1 ZINC000343338401 445204082 /nfs/dbraw/zinc/20/40/82/445204082.db2.gz JVKHNAZFXCAALH-HUUCEWRRSA-N 1 2 336.436 1.014 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC)Cc1ccc(OC)cc1OC ZINC000346644724 445221163 /nfs/dbraw/zinc/22/11/63/445221163.db2.gz AUURIEDSVODOAY-UHFFFAOYSA-N 1 2 335.404 1.538 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](CC)Cc1ccc(OC)cc1OC ZINC000346644724 445221164 /nfs/dbraw/zinc/22/11/64/445221164.db2.gz AUURIEDSVODOAY-UHFFFAOYSA-N 1 2 335.404 1.538 20 30 EDEDLO C=CCCN(C)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000346844608 445226270 /nfs/dbraw/zinc/22/62/70/445226270.db2.gz CRSSQAPXNQNUPF-PBHICJAKSA-N 1 2 345.447 1.832 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)c1 ZINC000347949107 445257279 /nfs/dbraw/zinc/25/72/79/445257279.db2.gz HFOJIKXESBHSOK-AWEZNQCLSA-N 1 2 348.428 1.755 20 30 EDEDLO CC1CCC(OCC(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000355451229 445461943 /nfs/dbraw/zinc/46/19/43/445461943.db2.gz BKXAESUYHVIVPQ-UHFFFAOYSA-N 1 2 337.464 1.656 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)no1 ZINC000349121568 445513828 /nfs/dbraw/zinc/51/38/28/445513828.db2.gz FIMUVWBTHHOHJY-OAHLLOKOSA-N 1 2 342.403 1.705 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)CC2)no1 ZINC000349121568 445513832 /nfs/dbraw/zinc/51/38/32/445513832.db2.gz FIMUVWBTHHOHJY-OAHLLOKOSA-N 1 2 342.403 1.705 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3nnc[nH]3)CC2)cc1 ZINC000360021796 445532848 /nfs/dbraw/zinc/53/28/48/445532848.db2.gz WPWQEBSJGHNCAA-HZPDHXFCSA-N 1 2 336.399 1.124 20 30 EDEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1COC[C@@H]1O ZINC000352814285 445557229 /nfs/dbraw/zinc/55/72/29/445557229.db2.gz GYGUWDPCGRYMOJ-AEFFLSMTSA-N 1 2 327.384 1.429 20 30 EDEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1COC[C@@H]1O ZINC000352814285 445557230 /nfs/dbraw/zinc/55/72/30/445557230.db2.gz GYGUWDPCGRYMOJ-AEFFLSMTSA-N 1 2 327.384 1.429 20 30 EDEDLO CS(=O)(=O)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000360059450 445548864 /nfs/dbraw/zinc/54/88/64/445548864.db2.gz GJVSPGULWITSKN-MRXNPFEDSA-N 1 2 343.408 1.278 20 30 EDEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000360158765 445602046 /nfs/dbraw/zinc/60/20/46/445602046.db2.gz NXEQZOPONLQKOL-AWEZNQCLSA-N 1 2 331.420 1.900 20 30 EDEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000360158765 445602048 /nfs/dbraw/zinc/60/20/48/445602048.db2.gz NXEQZOPONLQKOL-AWEZNQCLSA-N 1 2 331.420 1.900 20 30 EDEDLO COC(=O)[C@H](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353595512 445671506 /nfs/dbraw/zinc/67/15/06/445671506.db2.gz ZUMZQDAAJWQUBY-CQSZACIVSA-N 1 2 329.400 1.402 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000361544026 445812618 /nfs/dbraw/zinc/81/26/18/445812618.db2.gz RLYYRJMIVVUHMC-LLVKDONJSA-N 1 2 346.214 1.628 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000356518605 445837655 /nfs/dbraw/zinc/83/76/55/445837655.db2.gz XYKIMYNMUPUSFQ-GUYCJALGSA-N 1 2 339.436 1.085 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000356518605 445837658 /nfs/dbraw/zinc/83/76/58/445837658.db2.gz XYKIMYNMUPUSFQ-GUYCJALGSA-N 1 2 339.436 1.085 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCc2nccnc2C1 ZINC000625560038 450428056 /nfs/dbraw/zinc/42/80/56/450428056.db2.gz HXYGNGYVFBAFBD-UHFFFAOYSA-N 1 2 332.363 1.134 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCc2nccnc2C1 ZINC000625560038 450428058 /nfs/dbraw/zinc/42/80/58/450428058.db2.gz HXYGNGYVFBAFBD-UHFFFAOYSA-N 1 2 332.363 1.134 20 30 EDEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000350873412 445937759 /nfs/dbraw/zinc/93/77/59/445937759.db2.gz YORMTKORTJITQE-UWVGGRQHSA-N 1 2 329.372 1.550 20 30 EDEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000350873412 445937760 /nfs/dbraw/zinc/93/77/60/445937760.db2.gz YORMTKORTJITQE-UWVGGRQHSA-N 1 2 329.372 1.550 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000359092090 445939639 /nfs/dbraw/zinc/93/96/39/445939639.db2.gz CQBYTKQQWRFAPM-LSDHHAIUSA-N 1 2 330.432 1.078 20 30 EDEDLO Cc1nc(N2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000354205198 445998889 /nfs/dbraw/zinc/99/88/89/445998889.db2.gz QFTYJIFZZXWNJU-UHFFFAOYSA-N 1 2 336.399 1.417 20 30 EDEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)CCO1 ZINC000364731480 445949811 /nfs/dbraw/zinc/94/98/11/445949811.db2.gz USHNTRALGAMWRV-WBVHZDCISA-N 1 2 336.395 1.863 20 30 EDEDLO Cc1n[nH]c(C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)n1 ZINC000365113099 446033941 /nfs/dbraw/zinc/03/39/41/446033941.db2.gz AEWUEHMZCCQLSE-UHFFFAOYSA-N 1 2 344.463 1.977 20 30 EDEDLO Cc1nc(C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)n[nH]1 ZINC000365113099 446033947 /nfs/dbraw/zinc/03/39/47/446033947.db2.gz AEWUEHMZCCQLSE-UHFFFAOYSA-N 1 2 344.463 1.977 20 30 EDEDLO Cc1nnc(C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)[nH]1 ZINC000365113099 446033952 /nfs/dbraw/zinc/03/39/52/446033952.db2.gz AEWUEHMZCCQLSE-UHFFFAOYSA-N 1 2 344.463 1.977 20 30 EDEDLO Cc1c(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cnn1C ZINC000583302619 326044945 /nfs/dbraw/zinc/04/49/45/326044945.db2.gz QSPSQJMLMUFWGO-CQSZACIVSA-N 1 2 329.429 1.899 20 30 EDEDLO Cc1c(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cnn1C ZINC000583302619 326044947 /nfs/dbraw/zinc/04/49/47/326044947.db2.gz QSPSQJMLMUFWGO-CQSZACIVSA-N 1 2 329.429 1.899 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000583306195 326045232 /nfs/dbraw/zinc/04/52/32/326045232.db2.gz ZVRBHBMKSRCZCB-DGCLKSJQSA-N 1 2 349.822 1.934 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000583761819 326135159 /nfs/dbraw/zinc/13/51/59/326135159.db2.gz CVLHYFDOVROTAA-ZDUSSCGKSA-N 1 2 341.390 1.948 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000583761819 326135163 /nfs/dbraw/zinc/13/51/63/326135163.db2.gz CVLHYFDOVROTAA-ZDUSSCGKSA-N 1 2 341.390 1.948 20 30 EDEDLO CC(C)N1C(=O)N[C@]2(CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1=O ZINC000361929333 446078978 /nfs/dbraw/zinc/07/89/78/446078978.db2.gz RRZUJZGPLFSFMX-KRWDZBQOSA-N 1 2 330.363 1.602 20 30 EDEDLO CC(C)N1C(=O)N[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1=O ZINC000361929333 446078985 /nfs/dbraw/zinc/07/89/85/446078985.db2.gz RRZUJZGPLFSFMX-KRWDZBQOSA-N 1 2 330.363 1.602 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000354402847 446180388 /nfs/dbraw/zinc/18/03/88/446180388.db2.gz QQLJCWHTJSUKDP-HNNXBMFYSA-N 1 2 341.333 1.564 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000354402847 446180393 /nfs/dbraw/zinc/18/03/93/446180393.db2.gz QQLJCWHTJSUKDP-HNNXBMFYSA-N 1 2 341.333 1.564 20 30 EDEDLO C#CCCOc1ccc(C[NH+]2CC(n3cc(C(C)(C)O)nn3)C2)cc1 ZINC000370070781 446181001 /nfs/dbraw/zinc/18/10/01/446181001.db2.gz CMPMOVTWQVWMGH-UHFFFAOYSA-N 1 2 340.427 1.965 20 30 EDEDLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369802423 446157637 /nfs/dbraw/zinc/15/76/37/446157637.db2.gz CQXQFRRZAMXENY-HZPDHXFCSA-N 1 2 329.400 1.437 20 30 EDEDLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369802423 446157641 /nfs/dbraw/zinc/15/76/41/446157641.db2.gz CQXQFRRZAMXENY-HZPDHXFCSA-N 1 2 329.400 1.437 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000366432467 446210145 /nfs/dbraw/zinc/21/01/45/446210145.db2.gz DUHGWVTXMQUVET-NUEKZKHPSA-N 1 2 328.416 1.992 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000366432467 446210149 /nfs/dbraw/zinc/21/01/49/446210149.db2.gz DUHGWVTXMQUVET-NUEKZKHPSA-N 1 2 328.416 1.992 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1Cl ZINC000366759991 446337818 /nfs/dbraw/zinc/33/78/18/446337818.db2.gz AVNUJFQHTWSRHD-HOCLYGCPSA-N 1 2 336.819 1.994 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1Cl ZINC000366759991 446337822 /nfs/dbraw/zinc/33/78/22/446337822.db2.gz AVNUJFQHTWSRHD-HOCLYGCPSA-N 1 2 336.819 1.994 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)o1 ZINC000376361697 446454470 /nfs/dbraw/zinc/45/44/70/446454470.db2.gz ZHPAOUBXPRKONG-ZIAGYGMSSA-N 1 2 339.417 1.073 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000370898008 446506162 /nfs/dbraw/zinc/50/61/62/446506162.db2.gz LBJDJNLELJAOMK-KRWDZBQOSA-N 1 2 340.427 1.974 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000370898008 446506166 /nfs/dbraw/zinc/50/61/66/446506166.db2.gz LBJDJNLELJAOMK-KRWDZBQOSA-N 1 2 340.427 1.974 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000375044103 446538919 /nfs/dbraw/zinc/53/89/19/446538919.db2.gz XROGKFIKLHDLGL-FQEVSTJZSA-N 1 2 341.455 1.866 20 30 EDEDLO C[N@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)CC(C)(C)C#N ZINC000433284873 446552245 /nfs/dbraw/zinc/55/22/45/446552245.db2.gz GRUMBJTXCYSHLM-UHFFFAOYSA-N 1 2 332.423 1.956 20 30 EDEDLO C[N@@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)CC(C)(C)C#N ZINC000433284873 446552253 /nfs/dbraw/zinc/55/22/53/446552253.db2.gz GRUMBJTXCYSHLM-UHFFFAOYSA-N 1 2 332.423 1.956 20 30 EDEDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000420436629 446611408 /nfs/dbraw/zinc/61/14/08/446611408.db2.gz IRVXPSWPZOVDHV-ZDUSSCGKSA-N 1 2 331.800 1.534 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](CO)O1 ZINC000434981100 446671986 /nfs/dbraw/zinc/67/19/86/446671986.db2.gz IGADHRYEOCNVEV-WMLDXEAASA-N 1 2 341.415 1.440 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](CO)O1 ZINC000434981100 446671991 /nfs/dbraw/zinc/67/19/91/446671991.db2.gz IGADHRYEOCNVEV-WMLDXEAASA-N 1 2 341.415 1.440 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368169367 446682395 /nfs/dbraw/zinc/68/23/95/446682395.db2.gz XZAHMZWWHZVBAP-OAHLLOKOSA-N 1 2 344.415 1.942 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368169367 446682399 /nfs/dbraw/zinc/68/23/99/446682399.db2.gz XZAHMZWWHZVBAP-OAHLLOKOSA-N 1 2 344.415 1.942 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439428248 446815144 /nfs/dbraw/zinc/81/51/44/446815144.db2.gz BSCGMVOWDNURDI-UHFFFAOYSA-N 1 2 332.835 1.631 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCc3nnc(N)cc3C2)cc(OC)c1O ZINC000371376757 446817067 /nfs/dbraw/zinc/81/70/67/446817067.db2.gz ZQNZABJZKGJNES-UHFFFAOYSA-N 1 2 326.400 2.060 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCc3nnc(N)cc3C2)cc(OC)c1O ZINC000371376757 446817074 /nfs/dbraw/zinc/81/70/74/446817074.db2.gz ZQNZABJZKGJNES-UHFFFAOYSA-N 1 2 326.400 2.060 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375507358 446859263 /nfs/dbraw/zinc/85/92/63/446859263.db2.gz VXTPQNKJIFYYHV-RKDXNWHRSA-N 1 2 346.334 1.154 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375507358 446859269 /nfs/dbraw/zinc/85/92/69/446859269.db2.gz VXTPQNKJIFYYHV-RKDXNWHRSA-N 1 2 346.334 1.154 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000375609397 446922521 /nfs/dbraw/zinc/92/25/21/446922521.db2.gz YXTXQQUYYNTWRK-SPYBWZPUSA-N 1 2 340.427 1.053 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000375609397 446922531 /nfs/dbraw/zinc/92/25/31/446922531.db2.gz YXTXQQUYYNTWRK-SPYBWZPUSA-N 1 2 340.427 1.053 20 30 EDEDLO C[C@@H]1COCCN1CC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000375609397 446922538 /nfs/dbraw/zinc/92/25/38/446922538.db2.gz YXTXQQUYYNTWRK-SPYBWZPUSA-N 1 2 340.427 1.053 20 30 EDEDLO C[C@@H]1COCCN1CC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000375609397 446922544 /nfs/dbraw/zinc/92/25/44/446922544.db2.gz YXTXQQUYYNTWRK-SPYBWZPUSA-N 1 2 340.427 1.053 20 30 EDEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000372159370 447020148 /nfs/dbraw/zinc/02/01/48/447020148.db2.gz AJBLSCBDHYHQRX-MELADBBJSA-N 1 2 349.456 1.447 20 30 EDEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000372159370 447020154 /nfs/dbraw/zinc/02/01/54/447020154.db2.gz AJBLSCBDHYHQRX-MELADBBJSA-N 1 2 349.456 1.447 20 30 EDEDLO C=C(C)CCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000455077681 447042696 /nfs/dbraw/zinc/04/26/96/447042696.db2.gz UVDLPIZCGQNPTO-UHFFFAOYSA-N 1 2 331.420 1.557 20 30 EDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1cc(C(F)(F)F)cnc1C#N ZINC000413173348 447048113 /nfs/dbraw/zinc/04/81/13/447048113.db2.gz GUDVPWGUZRQWCV-LBPRGKRZSA-N 1 2 344.337 1.101 20 30 EDEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000455283268 447103051 /nfs/dbraw/zinc/10/30/51/447103051.db2.gz NUUWOEQLDZLFRF-RDJZCZTQSA-N 1 2 327.432 1.991 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CCO[C@H](c3cccc(C#N)c3)C2)nc[nH+]1 ZINC000413217147 447074755 /nfs/dbraw/zinc/07/47/55/447074755.db2.gz XQKOWKBPSALMKV-CJNGLKHVSA-N 1 2 339.399 1.719 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CCO[C@H](c3cccc(C#N)c3)C2)[nH+]cn1 ZINC000413217147 447074759 /nfs/dbraw/zinc/07/47/59/447074759.db2.gz XQKOWKBPSALMKV-CJNGLKHVSA-N 1 2 339.399 1.719 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444806193 447139033 /nfs/dbraw/zinc/13/90/33/447139033.db2.gz UCNDTTDUZBRVEB-CABCVRRESA-N 1 2 330.494 1.699 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444806193 447139039 /nfs/dbraw/zinc/13/90/39/447139039.db2.gz UCNDTTDUZBRVEB-CABCVRRESA-N 1 2 330.494 1.699 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1Cl ZINC000372618789 447187643 /nfs/dbraw/zinc/18/76/43/447187643.db2.gz KGVRQEFVCHLICD-MRXNPFEDSA-N 1 2 348.790 1.725 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1Cl ZINC000372618789 447187647 /nfs/dbraw/zinc/18/76/47/447187647.db2.gz KGVRQEFVCHLICD-MRXNPFEDSA-N 1 2 348.790 1.725 20 30 EDEDLO COCCc1noc(C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1 ZINC000368998591 447255459 /nfs/dbraw/zinc/25/54/59/447255459.db2.gz DVOUVFHRJQDHGG-UHFFFAOYSA-N 1 2 341.415 1.842 20 30 EDEDLO COCCc1noc(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)n1 ZINC000368998591 447255463 /nfs/dbraw/zinc/25/54/63/447255463.db2.gz DVOUVFHRJQDHGG-UHFFFAOYSA-N 1 2 341.415 1.842 20 30 EDEDLO Cn1c(SC[C@H](O)C[N@H+](C)CCC#N)nnc1-c1ccc(F)cc1 ZINC000414096997 447275113 /nfs/dbraw/zinc/27/51/13/447275113.db2.gz MOJJTXVTWFMVKM-CQSZACIVSA-N 1 2 349.435 1.920 20 30 EDEDLO Cn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccc(F)cc1 ZINC000414096997 447275118 /nfs/dbraw/zinc/27/51/18/447275118.db2.gz MOJJTXVTWFMVKM-CQSZACIVSA-N 1 2 349.435 1.920 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000495749469 447578902 /nfs/dbraw/zinc/57/89/02/447578902.db2.gz MHIIVTFRUNXRJK-LSDHHAIUSA-N 1 2 338.452 1.152 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000495749469 447578909 /nfs/dbraw/zinc/57/89/09/447578909.db2.gz MHIIVTFRUNXRJK-LSDHHAIUSA-N 1 2 338.452 1.152 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000410549392 447695093 /nfs/dbraw/zinc/69/50/93/447695093.db2.gz WOKNMJDYYMSKHX-INIZCTEOSA-N 1 2 329.444 1.754 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000410549392 447695095 /nfs/dbraw/zinc/69/50/95/447695095.db2.gz WOKNMJDYYMSKHX-INIZCTEOSA-N 1 2 329.444 1.754 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451264400 447718907 /nfs/dbraw/zinc/71/89/07/447718907.db2.gz MYTPQLRUHJPAIB-SZVBFZGTSA-N 1 2 347.434 1.795 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451264400 447718913 /nfs/dbraw/zinc/71/89/13/447718913.db2.gz MYTPQLRUHJPAIB-SZVBFZGTSA-N 1 2 347.434 1.795 20 30 EDEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000451879163 447772396 /nfs/dbraw/zinc/77/23/96/447772396.db2.gz PMLJEBAEBBPTPM-WFASDCNBSA-N 1 2 346.397 1.611 20 30 EDEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000451879163 447772400 /nfs/dbraw/zinc/77/24/00/447772400.db2.gz PMLJEBAEBBPTPM-WFASDCNBSA-N 1 2 346.397 1.611 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C(F)=C/C2CCCCC2)CC1 ZINC000490915461 447909364 /nfs/dbraw/zinc/90/93/64/447909364.db2.gz NKJIULNLLAGHDY-VKAVYKQESA-N 1 2 349.450 1.704 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C(F)=C/C2CCCCC2)CC1 ZINC000490915461 447909367 /nfs/dbraw/zinc/90/93/67/447909367.db2.gz NKJIULNLLAGHDY-VKAVYKQESA-N 1 2 349.450 1.704 20 30 EDEDLO C#C[C@H](NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)C(C)C ZINC000491020763 447918274 /nfs/dbraw/zinc/91/82/74/447918274.db2.gz JABYDLATUUBTEN-HNNXBMFYSA-N 1 2 336.457 1.410 20 30 EDEDLO Cn1c[nH+]c(CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1 ZINC000497180301 447928692 /nfs/dbraw/zinc/92/86/92/447928692.db2.gz RKMPGZKDWHCXDM-AWEZNQCLSA-N 1 2 349.435 1.666 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)Cc1ccccc1S(C)(=O)=O ZINC000491252970 447973651 /nfs/dbraw/zinc/97/36/51/447973651.db2.gz KXXXGWAPZVYMEZ-HNNXBMFYSA-N 1 2 335.425 1.273 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)Cc1ccccc1S(C)(=O)=O ZINC000491252970 447973655 /nfs/dbraw/zinc/97/36/55/447973655.db2.gz KXXXGWAPZVYMEZ-HNNXBMFYSA-N 1 2 335.425 1.273 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000491517093 448050867 /nfs/dbraw/zinc/05/08/67/448050867.db2.gz XARKZLYAEJRVRW-AWEZNQCLSA-N 1 2 338.452 1.202 20 30 EDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000491654014 448072306 /nfs/dbraw/zinc/07/23/06/448072306.db2.gz FFENWFBUWSQHFC-HUUCEWRRSA-N 1 2 326.396 1.592 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N3CCC(C#N)CC3)ccc2n1C ZINC000531396929 448077826 /nfs/dbraw/zinc/07/78/26/448077826.db2.gz VEAUBVILRQBFKZ-UHFFFAOYSA-N 1 2 325.372 1.582 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000491804522 448132435 /nfs/dbraw/zinc/13/24/35/448132435.db2.gz LSXFMQXBUIEBGS-UHFFFAOYSA-N 1 2 336.233 1.806 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000527297891 448204298 /nfs/dbraw/zinc/20/42/98/448204298.db2.gz LBIAPESFTMBMLJ-JTQLQIEISA-N 1 2 343.353 1.822 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000527297891 448204303 /nfs/dbraw/zinc/20/43/03/448204303.db2.gz LBIAPESFTMBMLJ-JTQLQIEISA-N 1 2 343.353 1.822 20 30 EDEDLO Cc1nn(C)c(N2CCN(Cc3cccc4[nH+]ccn43)CC2)c1C#N ZINC000527315620 448208766 /nfs/dbraw/zinc/20/87/66/448208766.db2.gz SDHRRWAJRQDAPR-UHFFFAOYSA-N 1 2 335.415 1.570 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc4nccn43)CC2)c1C#N ZINC000527315620 448208768 /nfs/dbraw/zinc/20/87/68/448208768.db2.gz SDHRRWAJRQDAPR-UHFFFAOYSA-N 1 2 335.415 1.570 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000571508822 448164155 /nfs/dbraw/zinc/16/41/55/448164155.db2.gz HFZXXPOXNSGSOP-SFHVURJKSA-N 1 2 327.432 1.538 20 30 EDEDLO COc1cc(C=CC(=O)NCc2[nH]c[nH+]c2C)ccc1OCC#N ZINC000492045593 448168340 /nfs/dbraw/zinc/16/83/40/448168340.db2.gz VLDVVFOJSFIJHO-XQRVVYSFSA-N 1 2 326.356 1.959 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000577181928 448228670 /nfs/dbraw/zinc/22/86/70/448228670.db2.gz SWMBWHNEUMOJJJ-GOSISDBHSA-N 1 2 328.416 1.538 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c(F)c1 ZINC000532402279 448254020 /nfs/dbraw/zinc/25/40/20/448254020.db2.gz GYHPZEHRICSEJI-UHFFFAOYSA-N 1 2 330.344 1.824 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000563220353 448291594 /nfs/dbraw/zinc/29/15/94/448291594.db2.gz LOOVNPVWDPOLBH-INIZCTEOSA-N 1 2 333.342 1.724 20 30 EDEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000572558746 448407967 /nfs/dbraw/zinc/40/79/67/448407967.db2.gz MBJPEUPJAYAOCT-ZDUSSCGKSA-N 1 2 340.387 1.590 20 30 EDEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000572558746 448407972 /nfs/dbraw/zinc/40/79/72/448407972.db2.gz MBJPEUPJAYAOCT-ZDUSSCGKSA-N 1 2 340.387 1.590 20 30 EDEDLO CCC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000578013861 448441110 /nfs/dbraw/zinc/44/11/10/448441110.db2.gz BFTGKEFIAYVTQX-CQSZACIVSA-N 1 2 333.417 1.000 20 30 EDEDLO CCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000578013861 448441117 /nfs/dbraw/zinc/44/11/17/448441117.db2.gz BFTGKEFIAYVTQX-CQSZACIVSA-N 1 2 333.417 1.000 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000584538565 448564405 /nfs/dbraw/zinc/56/44/05/448564405.db2.gz VAWHAIZCYOWFKD-HNNXBMFYSA-N 1 2 330.432 1.948 20 30 EDEDLO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2C#N)[C@@H]2COC[C@H]2O1 ZINC000528532907 448573122 /nfs/dbraw/zinc/57/31/22/448573122.db2.gz BNNLKPRCPRFDBB-ZMSDIMECSA-N 1 2 332.400 1.176 20 30 EDEDLO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2C#N)[C@@H]2COC[C@H]2O1 ZINC000528532907 448573124 /nfs/dbraw/zinc/57/31/24/448573124.db2.gz BNNLKPRCPRFDBB-ZMSDIMECSA-N 1 2 332.400 1.176 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)c2ccc3[nH+]c(C)n(C)c3c2)C1=O ZINC000517752317 448615382 /nfs/dbraw/zinc/61/53/82/448615382.db2.gz LBOCRVSZUBVDFX-OAHLLOKOSA-N 1 2 326.400 1.741 20 30 EDEDLO CC[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@]2(CCOC2)O1 ZINC000567167290 448628137 /nfs/dbraw/zinc/62/81/37/448628137.db2.gz MGFSVGGYDJMKDU-NVXWUHKLSA-N 1 2 327.388 1.371 20 30 EDEDLO CC[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@]2(CCOC2)O1 ZINC000567167290 448628141 /nfs/dbraw/zinc/62/81/41/448628141.db2.gz MGFSVGGYDJMKDU-NVXWUHKLSA-N 1 2 327.388 1.371 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592145923 448705351 /nfs/dbraw/zinc/70/53/51/448705351.db2.gz BGSBMLNDIAYTNW-UGSOOPFHSA-N 1 2 345.399 1.525 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592145923 448705357 /nfs/dbraw/zinc/70/53/57/448705357.db2.gz BGSBMLNDIAYTNW-UGSOOPFHSA-N 1 2 345.399 1.525 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147279 448708078 /nfs/dbraw/zinc/70/80/78/448708078.db2.gz NDWJYHKYVJYMMR-SJKOYZFVSA-N 1 2 331.372 1.135 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147279 448708082 /nfs/dbraw/zinc/70/80/82/448708082.db2.gz NDWJYHKYVJYMMR-SJKOYZFVSA-N 1 2 331.372 1.135 20 30 EDEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150527 448712073 /nfs/dbraw/zinc/71/20/73/448712073.db2.gz FXJMVHPPSJTOJL-SJKOYZFVSA-N 1 2 337.370 1.835 20 30 EDEDLO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150527 448712074 /nfs/dbraw/zinc/71/20/74/448712074.db2.gz FXJMVHPPSJTOJL-SJKOYZFVSA-N 1 2 337.370 1.835 20 30 EDEDLO Cc1cccc(OCCCNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592150548 448712409 /nfs/dbraw/zinc/71/24/09/448712409.db2.gz GKPKTCLNXMTQNY-SFHVURJKSA-N 1 2 331.416 1.231 20 30 EDEDLO Cc1cccc(OCCCNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592150548 448712413 /nfs/dbraw/zinc/71/24/13/448712413.db2.gz GKPKTCLNXMTQNY-SFHVURJKSA-N 1 2 331.416 1.231 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152486 448715270 /nfs/dbraw/zinc/71/52/70/448715270.db2.gz YAJAOFSXISIKQQ-UGSOOPFHSA-N 1 2 339.399 1.754 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152486 448715274 /nfs/dbraw/zinc/71/52/74/448715274.db2.gz YAJAOFSXISIKQQ-UGSOOPFHSA-N 1 2 339.399 1.754 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000518888641 448718958 /nfs/dbraw/zinc/71/89/58/448718958.db2.gz FPNXBUNXDUYVDG-GDBMZVCRSA-N 1 2 333.436 1.218 20 30 EDEDLO N#Cc1c2c(cnc1NCc1cc[nH+]c(N3CCOCC3)c1)CCC2 ZINC000567718936 448747588 /nfs/dbraw/zinc/74/75/88/448747588.db2.gz GDKBISRDGOZTHQ-UHFFFAOYSA-N 1 2 335.411 2.286 20 30 EDEDLO C[C@@](O)(C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1)C(F)(F)F ZINC000545224519 448780155 /nfs/dbraw/zinc/78/01/55/448780155.db2.gz GYBNCJPSYSHXIF-LSDHHAIUSA-N 1 2 347.381 1.820 20 30 EDEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000521185166 448959093 /nfs/dbraw/zinc/95/90/93/448959093.db2.gz XWTKNIIYJXLMCK-XOKHGSTOSA-N 1 2 329.400 1.135 20 30 EDEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000521185166 448959099 /nfs/dbraw/zinc/95/90/99/448959099.db2.gz XWTKNIIYJXLMCK-XOKHGSTOSA-N 1 2 329.400 1.135 20 30 EDEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cc(C#N)ncn3)CC2)C1 ZINC000582040459 448994158 /nfs/dbraw/zinc/99/41/58/448994158.db2.gz ULPAHOKMFYFOMB-LSDHHAIUSA-N 1 2 342.447 1.165 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000569439631 449025342 /nfs/dbraw/zinc/02/53/42/449025342.db2.gz OABAGDFGBBSZPM-SJLPKXTDSA-N 1 2 341.459 1.481 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000569439631 449025347 /nfs/dbraw/zinc/02/53/47/449025347.db2.gz OABAGDFGBBSZPM-SJLPKXTDSA-N 1 2 341.459 1.481 20 30 EDEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccsc3C#N)CC2)C[C@H](C)O1 ZINC000595632782 449090850 /nfs/dbraw/zinc/09/08/50/449090850.db2.gz HWLWCGQMXUXMAX-OKILXGFUSA-N 1 2 348.472 1.378 20 30 EDEDLO C=CC[N@H+](CC(=O)Nc1ccsc1C(=O)OC)[C@@H](C)COC ZINC000595647371 449097716 /nfs/dbraw/zinc/09/77/16/449097716.db2.gz PDGAWSVDXCEROI-NSHDSACASA-N 1 2 326.418 1.996 20 30 EDEDLO C=CC[N@@H+](CC(=O)Nc1ccsc1C(=O)OC)[C@@H](C)COC ZINC000595647371 449097719 /nfs/dbraw/zinc/09/77/19/449097719.db2.gz PDGAWSVDXCEROI-NSHDSACASA-N 1 2 326.418 1.996 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(C3(O)CC3)CC2)C1=O ZINC000593049263 449114162 /nfs/dbraw/zinc/11/41/62/449114162.db2.gz JLNMSAAXRDCCHX-CQSZACIVSA-N 1 2 331.441 1.962 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccccc1C#N)C(C)(C)CO ZINC000597845081 449120172 /nfs/dbraw/zinc/12/01/72/449120172.db2.gz FJLNAYRXAUHCKQ-INIZCTEOSA-N 1 2 342.399 1.547 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@H]1C ZINC000611083545 449162104 /nfs/dbraw/zinc/16/21/04/449162104.db2.gz FHBTWTCHADLUTK-NSHDSACASA-N 1 2 338.389 1.181 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@H]1C ZINC000611083545 449162106 /nfs/dbraw/zinc/16/21/06/449162106.db2.gz FHBTWTCHADLUTK-NSHDSACASA-N 1 2 338.389 1.181 20 30 EDEDLO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC000611173886 449199611 /nfs/dbraw/zinc/19/96/11/449199611.db2.gz POSKNVZLAZEYAA-IAGOWNOFSA-N 1 2 328.460 1.826 20 30 EDEDLO N#CCCN1CC[NH+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000611173755 449199695 /nfs/dbraw/zinc/19/96/95/449199695.db2.gz JJDCPXXDIJCEPI-QGZVFWFLSA-N 1 2 330.407 1.852 20 30 EDEDLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCN(CCC#N)CC1 ZINC000611173586 449199764 /nfs/dbraw/zinc/19/97/64/449199764.db2.gz BNEVHFBTEIYMBT-CYBMUJFWSA-N 1 2 347.394 1.394 20 30 EDEDLO N#CCCN1CC[NH+]([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000611173754 449199922 /nfs/dbraw/zinc/19/99/22/449199922.db2.gz JJDCPXXDIJCEPI-KRWDZBQOSA-N 1 2 330.407 1.852 20 30 EDEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611173717 449200000 /nfs/dbraw/zinc/20/00/00/449200000.db2.gz HWANHGCDKJWLOC-HOTGVXAUSA-N 1 2 344.459 1.792 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N1Cc2cccc(C#N)c2C1)[NH+]1CCOCC1 ZINC000593340260 449234446 /nfs/dbraw/zinc/23/44/46/449234446.db2.gz XPWHPHWSVKQZCF-UONOGXRCSA-N 1 2 328.416 1.693 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCc3c(cccc3C(N)=O)C2)CCCCC1 ZINC000595903913 449243048 /nfs/dbraw/zinc/24/30/48/449243048.db2.gz UTPKKEFMFIORPZ-UHFFFAOYSA-N 1 2 340.427 1.486 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCc3c(cccc3C(N)=O)C2)CCCCC1 ZINC000595903913 449243052 /nfs/dbraw/zinc/24/30/52/449243052.db2.gz UTPKKEFMFIORPZ-UHFFFAOYSA-N 1 2 340.427 1.486 20 30 EDEDLO Cc1nc2c(cnn2C)c(N2CC[NH+](CC3(C#N)CCC3)CC2)n1 ZINC000590692687 449249024 /nfs/dbraw/zinc/24/90/24/449249024.db2.gz HOJBWKMOLHIQKX-UHFFFAOYSA-N 1 2 325.420 1.488 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1Cl ZINC000601968476 449251487 /nfs/dbraw/zinc/25/14/87/449251487.db2.gz LWFDTMWSJZRFOS-NSHDSACASA-N 1 2 336.804 1.701 20 30 EDEDLO C[C@@]1(C(F)F)C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000595917106 449251593 /nfs/dbraw/zinc/25/15/93/449251593.db2.gz QPEZUBMSMLVEPI-BBRMVZONSA-N 1 2 326.343 1.654 20 30 EDEDLO C[C@@]1(C(F)F)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000595917106 449251596 /nfs/dbraw/zinc/25/15/96/449251596.db2.gz QPEZUBMSMLVEPI-BBRMVZONSA-N 1 2 326.343 1.654 20 30 EDEDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(C#N)cn1)C2 ZINC000593947712 449303251 /nfs/dbraw/zinc/30/32/51/449303251.db2.gz LZCJNBYHZSIHAG-UHFFFAOYSA-N 1 2 342.424 1.883 20 30 EDEDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cn1)C2 ZINC000593947712 449303257 /nfs/dbraw/zinc/30/32/57/449303257.db2.gz LZCJNBYHZSIHAG-UHFFFAOYSA-N 1 2 342.424 1.883 20 30 EDEDLO COc1ccc(-c2cc(C[NH+]3CCN(C(=O)CC#N)CC3)on2)cc1 ZINC000594016188 449324528 /nfs/dbraw/zinc/32/45/28/449324528.db2.gz DXEZADXCUGWFKV-UHFFFAOYSA-N 1 2 340.383 1.908 20 30 EDEDLO Cc1ccc(C#N)nc1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000611398779 449280142 /nfs/dbraw/zinc/28/01/42/449280142.db2.gz APBOLOVHSXTOER-QGZVFWFLSA-N 1 2 335.411 1.610 20 30 EDEDLO N#CCCn1ccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)n1 ZINC000602104162 449348201 /nfs/dbraw/zinc/34/82/01/449348201.db2.gz YRMFRQRKWFOVIS-JTQLQIEISA-N 1 2 326.282 2.125 20 30 EDEDLO N#Cc1cnnc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC000596122698 449374407 /nfs/dbraw/zinc/37/44/07/449374407.db2.gz BEVQPWCSKASANG-INIZCTEOSA-N 1 2 343.818 1.857 20 30 EDEDLO Cn1ncc(C#N)c1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000596124861 449375230 /nfs/dbraw/zinc/37/52/30/449375230.db2.gz HZJYDDOYGFEDTR-INIZCTEOSA-N 1 2 345.834 1.801 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550240 449332270 /nfs/dbraw/zinc/33/22/70/449332270.db2.gz ASNHPQAZAJWTLQ-KRWDZBQOSA-N 1 2 332.423 1.876 20 30 EDEDLO COc1cc(C[NH+]2CCN(c3c(C#N)cnn3C)CC2)cc(OC)c1 ZINC000596148393 449385241 /nfs/dbraw/zinc/38/52/41/449385241.db2.gz GBEUEPKZOKOQBR-UHFFFAOYSA-N 1 2 341.415 1.631 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598613737 449493809 /nfs/dbraw/zinc/49/38/09/449493809.db2.gz DRZXCCRYWQXMLQ-MCIONIFRSA-N 1 2 333.436 1.745 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598613737 449493814 /nfs/dbraw/zinc/49/38/14/449493814.db2.gz DRZXCCRYWQXMLQ-MCIONIFRSA-N 1 2 333.436 1.745 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccsc2C#N)CC1 ZINC000596352561 449480515 /nfs/dbraw/zinc/48/05/15/449480515.db2.gz ODQHJZHRQNHWKI-UHFFFAOYSA-N 1 2 325.401 1.623 20 30 EDEDLO N#CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCCCC1 ZINC000600682909 449490586 /nfs/dbraw/zinc/49/05/86/449490586.db2.gz OQMZUNWRMSKQDQ-KRWDZBQOSA-N 1 2 342.443 1.873 20 30 EDEDLO N#CC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCCC1 ZINC000600682909 449490594 /nfs/dbraw/zinc/49/05/94/449490594.db2.gz OQMZUNWRMSKQDQ-KRWDZBQOSA-N 1 2 342.443 1.873 20 30 EDEDLO Cc1c(Cl)cnc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c1C#N ZINC000612066673 449549649 /nfs/dbraw/zinc/54/96/49/449549649.db2.gz ACKGCRWTOQNKKS-UHFFFAOYSA-N 1 2 347.850 1.660 20 30 EDEDLO COc1c(C)[nH+]cnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000594544636 449569269 /nfs/dbraw/zinc/56/92/69/449569269.db2.gz MCYBBVLQCRQPMX-UHFFFAOYSA-N 1 2 340.387 1.857 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602461274 449607662 /nfs/dbraw/zinc/60/76/62/449607662.db2.gz FLBGATVNFOTJKM-HNNXBMFYSA-N 1 2 341.459 1.518 20 30 EDEDLO CN1c2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc2C(C)(C)C1=O ZINC000598836352 449614924 /nfs/dbraw/zinc/61/49/24/449614924.db2.gz HAGPKSHCUUSIQO-GOSISDBHSA-N 1 2 328.416 1.514 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596710774 449618634 /nfs/dbraw/zinc/61/86/34/449618634.db2.gz XFVXMMQZWNKKFN-CQSZACIVSA-N 1 2 330.388 1.505 20 30 EDEDLO N#CC1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC2(CC2)C1 ZINC000601010028 449651130 /nfs/dbraw/zinc/65/11/30/449651130.db2.gz FRJQAMDWXGRCKM-KRWDZBQOSA-N 1 2 335.473 1.394 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cc(Cl)ccn2)c1=O ZINC000601082127 449683397 /nfs/dbraw/zinc/68/33/97/449683397.db2.gz CTNGUJUMRQMYBA-UHFFFAOYSA-N 1 2 344.802 1.649 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614665015 449748320 /nfs/dbraw/zinc/74/83/20/449748320.db2.gz KORIUSWYBMZWKA-PBHICJAKSA-N 1 2 336.436 1.627 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614665015 449748326 /nfs/dbraw/zinc/74/83/26/449748326.db2.gz KORIUSWYBMZWKA-PBHICJAKSA-N 1 2 336.436 1.627 20 30 EDEDLO N#CCc1cccc2c1CC[N@H+](Cc1cn(C[C@H]3CCOC3)nn1)C2 ZINC000602729026 449769992 /nfs/dbraw/zinc/76/99/92/449769992.db2.gz HOYHFNVEPRFCKN-OAHLLOKOSA-N 1 2 337.427 1.939 20 30 EDEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cn(C[C@H]3CCOC3)nn1)C2 ZINC000602729026 449769999 /nfs/dbraw/zinc/76/99/99/449769999.db2.gz HOYHFNVEPRFCKN-OAHLLOKOSA-N 1 2 337.427 1.939 20 30 EDEDLO COC(=O)c1cn(C2C[NH+](Cc3ccc(C4(C#N)CC4)cc3)C2)nn1 ZINC000597085166 449804083 /nfs/dbraw/zinc/80/40/83/449804083.db2.gz SGPCPGXSZXKRCK-UHFFFAOYSA-N 1 2 337.383 1.677 20 30 EDEDLO C[C@@]1(C#N)CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000599225995 449812993 /nfs/dbraw/zinc/81/29/93/449812993.db2.gz RCXHHRYUDOFSCZ-AEFFLSMTSA-N 1 2 343.431 1.228 20 30 EDEDLO C[C@@]1(C#N)CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000599225995 449812998 /nfs/dbraw/zinc/81/29/98/449812998.db2.gz RCXHHRYUDOFSCZ-AEFFLSMTSA-N 1 2 343.431 1.228 20 30 EDEDLO CCCCNC(=O)CN1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599253758 449835531 /nfs/dbraw/zinc/83/55/31/449835531.db2.gz QEXLGPKPWJKBGV-UHFFFAOYSA-N 1 2 328.460 1.901 20 30 EDEDLO COC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855141 449862864 /nfs/dbraw/zinc/86/28/64/449862864.db2.gz SLJAVLQIUAOBLN-OKILXGFUSA-N 1 2 344.415 1.330 20 30 EDEDLO COC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855141 449862866 /nfs/dbraw/zinc/86/28/66/449862866.db2.gz SLJAVLQIUAOBLN-OKILXGFUSA-N 1 2 344.415 1.330 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000599304888 449877245 /nfs/dbraw/zinc/87/72/45/449877245.db2.gz SMPPKSHSLGCMDK-AGIUHOORSA-N 1 2 336.354 1.709 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000599304888 449877246 /nfs/dbraw/zinc/87/72/46/449877246.db2.gz SMPPKSHSLGCMDK-AGIUHOORSA-N 1 2 336.354 1.709 20 30 EDEDLO COc1cc(C[NH+]2CCN(C(=O)[C@@H](C)CC#N)CC2)cc(OC)c1 ZINC000597336391 449957573 /nfs/dbraw/zinc/95/75/73/449957573.db2.gz IYBMASYESDFWKK-AWEZNQCLSA-N 1 2 331.416 1.898 20 30 EDEDLO CCNC(=O)CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609155800 449970993 /nfs/dbraw/zinc/97/09/93/449970993.db2.gz NCGHOIWGPIJTQU-UHFFFAOYSA-N 1 2 328.416 1.119 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599439220 449975980 /nfs/dbraw/zinc/97/59/80/449975980.db2.gz KVBHYKJZYNDICJ-QGZVFWFLSA-N 1 2 339.399 1.313 20 30 EDEDLO C[N@H+](CC(=O)NCCN1CCc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000602975441 449976511 /nfs/dbraw/zinc/97/65/11/449976511.db2.gz BAEVJBMBUPMWCI-IRXDYDNUSA-N 1 2 326.444 1.789 20 30 EDEDLO C[N@@H+](CC(=O)NCCN1CCc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000602975441 449976516 /nfs/dbraw/zinc/97/65/16/449976516.db2.gz BAEVJBMBUPMWCI-IRXDYDNUSA-N 1 2 326.444 1.789 20 30 EDEDLO CC1(C)[C@H](NS(=O)(=O)CC2(C#N)CCC2)C[C@H]1[NH+]1CCOCC1 ZINC000601453417 449977118 /nfs/dbraw/zinc/97/71/18/449977118.db2.gz SOEUBDJEMBECPT-ZIAGYGMSSA-N 1 2 341.477 1.099 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000609631462 450076406 /nfs/dbraw/zinc/07/64/06/450076406.db2.gz HKDBMBSIGBHDRV-HKUYNNGSSA-N 1 2 342.487 1.900 20 30 EDEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685604 450152237 /nfs/dbraw/zinc/15/22/37/450152237.db2.gz HUUQXFSGPDOPGJ-UHFFFAOYSA-N 1 2 328.416 1.737 20 30 EDEDLO CCCCNC(=O)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685604 450152242 /nfs/dbraw/zinc/15/22/42/450152242.db2.gz HUUQXFSGPDOPGJ-UHFFFAOYSA-N 1 2 328.416 1.737 20 30 EDEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)c1 ZINC000615631222 450175971 /nfs/dbraw/zinc/17/59/71/450175971.db2.gz BCMAXRMTWUWASA-KRWDZBQOSA-N 1 2 341.346 1.490 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000610084586 450137663 /nfs/dbraw/zinc/13/76/63/450137663.db2.gz OXEVPBHWDSAUDZ-ZDUSSCGKSA-N 1 2 334.376 1.920 20 30 EDEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000603296255 450222166 /nfs/dbraw/zinc/22/21/66/450222166.db2.gz NPNNTAKEORHBRJ-DLBZAZTESA-N 1 2 344.440 1.985 20 30 EDEDLO N#C[C@@]1(F)CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000615641953 450181775 /nfs/dbraw/zinc/18/17/75/450181775.db2.gz WQEKHJQQBOFCFB-SFHVURJKSA-N 1 2 346.406 1.395 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)C2)nc1 ZINC000597682904 450194595 /nfs/dbraw/zinc/19/45/95/450194595.db2.gz BFJOHYUEZVPGPY-UONOGXRCSA-N 1 2 337.383 1.461 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)C2)nc1 ZINC000597682904 450194601 /nfs/dbraw/zinc/19/46/01/450194601.db2.gz BFJOHYUEZVPGPY-UONOGXRCSA-N 1 2 337.383 1.461 20 30 EDEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614726 450273788 /nfs/dbraw/zinc/27/37/88/450273788.db2.gz MPTYEIMTWFNFFQ-MELADBBJSA-N 1 2 349.456 1.304 20 30 EDEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614726 450273791 /nfs/dbraw/zinc/27/37/91/450273791.db2.gz MPTYEIMTWFNFFQ-MELADBBJSA-N 1 2 349.456 1.304 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000610527973 450255460 /nfs/dbraw/zinc/25/54/60/450255460.db2.gz CMMHIIYMZCALDA-UHFFFAOYSA-N 1 2 325.376 1.609 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCCOC3)CC2)cc1 ZINC000610560050 450259958 /nfs/dbraw/zinc/25/99/58/450259958.db2.gz SZGATOFQFRFTHL-HNNXBMFYSA-N 1 2 335.429 1.044 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1(C)C ZINC000603375970 450270214 /nfs/dbraw/zinc/27/02/14/450270214.db2.gz RUHZWTIIHHGCPU-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1(C)C ZINC000603375970 450270217 /nfs/dbraw/zinc/27/02/17/450270217.db2.gz RUHZWTIIHHGCPU-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1(C)C ZINC000603375993 450270339 /nfs/dbraw/zinc/27/03/39/450270339.db2.gz SLLTUPTUXJDFON-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1(C)C ZINC000603375993 450270341 /nfs/dbraw/zinc/27/03/41/450270341.db2.gz SLLTUPTUXJDFON-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000603409606 450287006 /nfs/dbraw/zinc/28/70/06/450287006.db2.gz PCNHXFDRYQFXBJ-AWEZNQCLSA-N 1 2 348.472 1.146 20 30 EDEDLO C=C[C@H](NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)OC ZINC000619703364 450312130 /nfs/dbraw/zinc/31/21/30/450312130.db2.gz KHQKZJIADUFMGF-INIZCTEOSA-N 1 2 337.851 1.779 20 30 EDEDLO C=C1CC(C)(C(=O)NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)C1 ZINC000633642211 450957111 /nfs/dbraw/zinc/95/71/11/450957111.db2.gz MGUSAHIFXDLQRH-FQEVSTJZSA-N 1 2 344.455 1.722 20 30 EDEDLO C=C1CC(C)(C(=O)NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)C1 ZINC000633642211 450957114 /nfs/dbraw/zinc/95/71/14/450957114.db2.gz MGUSAHIFXDLQRH-FQEVSTJZSA-N 1 2 344.455 1.722 20 30 EDEDLO C=CCC[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000632126706 451056057 /nfs/dbraw/zinc/05/60/57/451056057.db2.gz ZJXUEPQGJCSTCS-IRXDYDNUSA-N 1 2 338.473 1.944 20 30 EDEDLO C=CCC[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000632126706 451056064 /nfs/dbraw/zinc/05/60/64/451056064.db2.gz ZJXUEPQGJCSTCS-IRXDYDNUSA-N 1 2 338.473 1.944 20 30 EDEDLO C=CCn1cc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)nn1 ZINC000633899362 451083588 /nfs/dbraw/zinc/08/35/88/451083588.db2.gz VQUSLCMNOPNCQO-UHFFFAOYSA-N 1 2 327.388 1.128 20 30 EDEDLO C=C(C)C[C@H]1NC(=O)N(c2ccc(N3CCOCC3)[nH+]c2C)C1=O ZINC000630517402 451229456 /nfs/dbraw/zinc/22/94/56/451229456.db2.gz VIWDSEPSFXAUKK-CYBMUJFWSA-N 1 2 330.388 1.618 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000632614161 451451906 /nfs/dbraw/zinc/45/19/06/451451906.db2.gz CQAPKGWXQFZLOB-CQSZACIVSA-N 1 2 332.448 1.845 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H]2CCCc3ccccc32)nn1 ZINC000640788862 451582235 /nfs/dbraw/zinc/58/22/35/451582235.db2.gz ZEPMMWSKJAVJRU-SFHVURJKSA-N 1 2 337.427 1.585 20 30 EDEDLO C=CCNS(=O)(=O)c1ccccc1N[C@@H](C)C[NH+]1CCOCC1 ZINC000641296479 451821930 /nfs/dbraw/zinc/82/19/30/451821930.db2.gz YPHPZDJNDMLJOK-AWEZNQCLSA-N 1 2 339.461 1.284 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2cccc(N3CCOCC3)n2)nn1 ZINC000657439688 452250078 /nfs/dbraw/zinc/25/00/78/452250078.db2.gz LYHMQNRRKMDYNJ-UHFFFAOYSA-N 1 2 328.420 1.376 20 30 EDEDLO O=C(NCC#Cc1ccccc1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663548238 452253861 /nfs/dbraw/zinc/25/38/61/452253861.db2.gz NPIBXKOKQULMOH-UHFFFAOYSA-N 1 2 341.455 1.792 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662114246 452849775 /nfs/dbraw/zinc/84/97/75/452849775.db2.gz UUKIAXWUQMZZLZ-MSOLQXFVSA-N 1 2 346.475 1.039 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662114246 452849778 /nfs/dbraw/zinc/84/97/78/452849778.db2.gz UUKIAXWUQMZZLZ-MSOLQXFVSA-N 1 2 346.475 1.039 20 30 EDEDLO C=CCCS(=O)(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000660125430 453052391 /nfs/dbraw/zinc/05/23/91/453052391.db2.gz YUSRAMTWDYLBAI-KRWDZBQOSA-N 1 2 337.489 1.298 20 30 EDEDLO C=CCCS(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000660125430 453052396 /nfs/dbraw/zinc/05/23/96/453052396.db2.gz YUSRAMTWDYLBAI-KRWDZBQOSA-N 1 2 337.489 1.298 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000646322494 453317878 /nfs/dbraw/zinc/31/78/78/453317878.db2.gz QBKKBLWNIASCDL-JKSUJKDBSA-N 1 2 342.505 1.634 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1 ZINC000648845788 453325655 /nfs/dbraw/zinc/32/56/55/453325655.db2.gz RHKWACPBDJBIGX-ZBFHGGJFSA-N 1 2 347.369 1.918 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)nn1 ZINC000648845788 453325660 /nfs/dbraw/zinc/32/56/60/453325660.db2.gz RHKWACPBDJBIGX-ZBFHGGJFSA-N 1 2 347.369 1.918 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000657315185 453764903 /nfs/dbraw/zinc/76/49/03/453764903.db2.gz OELCRRDPXKPAIJ-UHFFFAOYSA-N 1 2 341.459 1.976 20 30 EDEDLO C=CCCCNC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000684136856 486957051 /nfs/dbraw/zinc/95/70/51/486957051.db2.gz RNJHYHCIJXLSAS-INIZCTEOSA-N 1 2 341.415 1.791 20 30 EDEDLO CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCN(CCC#N)CC2)c1 ZINC000677707826 487154885 /nfs/dbraw/zinc/15/48/85/487154885.db2.gz AVLRWWNVUYWIIK-KRWDZBQOSA-N 1 2 331.416 1.160 20 30 EDEDLO COCC#CC[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000677818726 487174436 /nfs/dbraw/zinc/17/44/36/487174436.db2.gz HFTGRKZMUORMQF-UHFFFAOYSA-N 1 2 326.400 1.504 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678749829 487360096 /nfs/dbraw/zinc/36/00/96/487360096.db2.gz XXSCVUHBHNJTTD-HNNXBMFYSA-N 1 2 331.416 1.583 20 30 EDEDLO Cc1nnc(CN2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)[nH]1 ZINC000678889390 487376318 /nfs/dbraw/zinc/37/63/18/487376318.db2.gz PHGWTROQTMCNMJ-UHFFFAOYSA-N 1 2 329.835 1.936 20 30 EDEDLO Cc1cc(N2CC[C@H](O[NH+]=C(N)c3cccc(Cl)c3)C2=O)n(C)n1 ZINC000174100801 533908347 /nfs/dbraw/zinc/90/83/47/533908347.db2.gz XBRPKJBODYRWOH-ZDUSSCGKSA-N 1 2 347.806 1.824 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554429 526609594 /nfs/dbraw/zinc/60/95/94/526609594.db2.gz OWPKBILOTWTYKH-AWEZNQCLSA-N 1 2 341.415 1.081 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000171751136 528379463 /nfs/dbraw/zinc/37/94/63/528379463.db2.gz OIYIVWRLFMCUHC-CQSZACIVSA-N 1 2 345.447 1.714 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000128326593 528854601 /nfs/dbraw/zinc/85/46/01/528854601.db2.gz OIOPOOZCVBRWGP-DGCLKSJQSA-N 1 2 335.370 1.819 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccc(CC#N)cc3)C2)CC1 ZINC000106939485 529151183 /nfs/dbraw/zinc/15/11/83/529151183.db2.gz YEVHFMAQUOGWQG-GOSISDBHSA-N 1 2 341.459 1.996 20 30 EDEDLO COc1cc(C(N)=[NH+]OC[C@@H]2CNC(=O)O2)cc(Cl)c1OC ZINC000282189934 536872000 /nfs/dbraw/zinc/87/20/00/536872000.db2.gz HDCJNUDQOUPDFP-QMMMGPOBSA-N 1 2 329.740 1.103 20 30 EDEDLO CS(=O)(=O)CCN[NH+]=Cc1sc(N2CCCC2)nc1Cl ZINC000735973227 578944278 /nfs/dbraw/zinc/94/42/78/578944278.db2.gz DTFJXNKZRCEVMX-UHFFFAOYSA-N 1 2 336.870 1.365 20 30 EDEDLO C[C@@H](OC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)C(=O)N(C)CCC#N ZINC000740987164 579392392 /nfs/dbraw/zinc/39/23/92/579392392.db2.gz KIMZYHSOAGSJMQ-HUUCEWRRSA-N 1 2 343.427 1.737 20 30 EDEDLO C[C@@H](OC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)C(=O)N(C)CCC#N ZINC000740987164 579392393 /nfs/dbraw/zinc/39/23/93/579392393.db2.gz KIMZYHSOAGSJMQ-HUUCEWRRSA-N 1 2 343.427 1.737 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C[C@@H]1C ZINC000742300157 579447411 /nfs/dbraw/zinc/44/74/11/579447411.db2.gz OWUNOZAOEKPBIL-LBPRGKRZSA-N 1 2 341.408 1.039 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C[C@@H]1C ZINC000742300157 579447412 /nfs/dbraw/zinc/44/74/12/579447412.db2.gz OWUNOZAOEKPBIL-LBPRGKRZSA-N 1 2 341.408 1.039 20 30 EDEDLO C#CC[N@H+](CC#CC)CC(=O)N(CC)Cc1ccc2c(c1)OCCO2 ZINC000743854843 579492450 /nfs/dbraw/zinc/49/24/50/579492450.db2.gz PANLIQWLQMOVOU-UHFFFAOYSA-N 1 2 340.423 1.765 20 30 EDEDLO C#CC[N@@H+](CC#CC)CC(=O)N(CC)Cc1ccc2c(c1)OCCO2 ZINC000743854843 579492451 /nfs/dbraw/zinc/49/24/51/579492451.db2.gz PANLIQWLQMOVOU-UHFFFAOYSA-N 1 2 340.423 1.765 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000743916640 579493957 /nfs/dbraw/zinc/49/39/57/579493957.db2.gz AAVYZELHUTWMLM-UHFFFAOYSA-N 1 2 342.330 1.015 20 30 EDEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000727106246 578518566 /nfs/dbraw/zinc/51/85/66/578518566.db2.gz OJGBNHUOPXXQGC-UHFFFAOYSA-N 1 2 342.399 1.655 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CCC2(CCCO2)CC1 ZINC000788015581 578528519 /nfs/dbraw/zinc/52/85/19/578528519.db2.gz WRUFMWPQIQMHBL-UHFFFAOYSA-N 1 2 340.493 1.262 20 30 EDEDLO Cc1cccn2cc(CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)[nH+]c12 ZINC000732356651 578707236 /nfs/dbraw/zinc/70/72/36/578707236.db2.gz PIWQBLQOHKQSOG-SFHVURJKSA-N 1 2 342.399 1.783 20 30 EDEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000735426781 578883644 /nfs/dbraw/zinc/88/36/44/578883644.db2.gz WPQOVYJRVUONLG-CQSZACIVSA-N 1 2 333.417 1.042 20 30 EDEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000735426781 578883646 /nfs/dbraw/zinc/88/36/46/578883646.db2.gz WPQOVYJRVUONLG-CQSZACIVSA-N 1 2 333.417 1.042 20 30 EDEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+](C)[C@@H](C)CC#N ZINC000737525615 579104585 /nfs/dbraw/zinc/10/45/85/579104585.db2.gz UYAQZWZAFJRAJD-NSHDSACASA-N 1 2 337.391 1.625 20 30 EDEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C)[C@@H](C)CC#N ZINC000737525615 579104587 /nfs/dbraw/zinc/10/45/87/579104587.db2.gz UYAQZWZAFJRAJD-NSHDSACASA-N 1 2 337.391 1.625 20 30 EDEDLO CN(C)c1nccc(N[NH+]=Cc2ccccc2N2CCOCC2)n1 ZINC000739413014 579202193 /nfs/dbraw/zinc/20/21/93/579202193.db2.gz GTHOJJMBNPJQLZ-UHFFFAOYSA-N 1 2 326.404 1.825 20 30 EDEDLO O=C(NO)c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000746268380 579583234 /nfs/dbraw/zinc/58/32/34/579583234.db2.gz MUJMBHPJHMAMLM-UHFFFAOYSA-N 1 2 336.351 1.921 20 30 EDEDLO C=CC[N@@H+](C[C@H](O)c1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000746666425 579605844 /nfs/dbraw/zinc/60/58/44/579605844.db2.gz PUCAMOUXQAJRCT-ZBFHGGJFSA-N 1 2 327.421 1.843 20 30 EDEDLO C=CC[N@H+](C[C@H](O)c1ccc(F)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000746666425 579605845 /nfs/dbraw/zinc/60/58/45/579605845.db2.gz PUCAMOUXQAJRCT-ZBFHGGJFSA-N 1 2 327.421 1.843 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)CC1 ZINC000748820967 579702099 /nfs/dbraw/zinc/70/20/99/579702099.db2.gz FNAAZJLFLUCGEV-HNNXBMFYSA-N 1 2 329.419 1.522 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CCc3cccc(F)c3[C@@H]2C)CC1 ZINC000748820967 579702100 /nfs/dbraw/zinc/70/21/00/579702100.db2.gz FNAAZJLFLUCGEV-HNNXBMFYSA-N 1 2 329.419 1.522 20 30 EDEDLO N#Cc1c(F)cccc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000751501191 579810704 /nfs/dbraw/zinc/81/07/04/579810704.db2.gz DALQCWXISAIKCP-UHFFFAOYSA-N 1 2 330.344 1.824 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C[C@H]1CCOc2ccccc21 ZINC000752160312 579840129 /nfs/dbraw/zinc/84/01/29/579840129.db2.gz NIUINFYARUPGNJ-CQSZACIVSA-N 1 2 348.472 1.335 20 30 EDEDLO COc1cc(C(C)=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc([N+](=O)[O-])c1O ZINC000753929109 579891292 /nfs/dbraw/zinc/89/12/92/579891292.db2.gz OFUYMZWZECAPJP-RYUDHWBXSA-N 1 2 347.375 1.893 20 30 EDEDLO O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753937187 579891624 /nfs/dbraw/zinc/89/16/24/579891624.db2.gz WRVXDHVXOPBCOY-TXEJJXNPSA-N 1 2 328.332 1.111 20 30 EDEDLO C[C@H]1CC(=NNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000753960114 579892379 /nfs/dbraw/zinc/89/23/79/579892379.db2.gz OMXOFYCJOSOESZ-JTQLQIEISA-N 1 2 338.389 1.486 20 30 EDEDLO C[C@H]1CC(=NNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000753960114 579892380 /nfs/dbraw/zinc/89/23/80/579892380.db2.gz OMXOFYCJOSOESZ-JTQLQIEISA-N 1 2 338.389 1.486 20 30 EDEDLO C[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000755003851 579917959 /nfs/dbraw/zinc/91/79/59/579917959.db2.gz VCFNPYQIKCBKBF-IUODEOHRSA-N 1 2 345.428 1.490 20 30 EDEDLO N#Cc1ccc(CN[NH+]=Cc2cnc(N3CCOCC3)s2)cc1 ZINC000755803510 579935686 /nfs/dbraw/zinc/93/56/86/579935686.db2.gz RUXCAOUGDOTSLJ-UHFFFAOYSA-N 1 2 327.413 1.975 20 30 EDEDLO CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2[nH+]c[nH]c2C)cc1 ZINC000755804206 579935716 /nfs/dbraw/zinc/93/57/16/579935716.db2.gz YLIVLALZWCGQHN-UHFFFAOYSA-N 1 2 336.373 1.207 20 30 EDEDLO C[C@H]1C[C@H]1CN=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000758366427 579980945 /nfs/dbraw/zinc/98/09/45/579980945.db2.gz PTEDSUBDCMMEQL-STQMWFEESA-N 1 2 337.449 1.071 20 30 EDEDLO C#CCSc1nnc([C@@H](CC)[NH+](C)C)n1CCN1CCOCC1 ZINC000764453837 580120537 /nfs/dbraw/zinc/12/05/37/580120537.db2.gz LDGCQBOFJLWFOI-CQSZACIVSA-N 1 2 337.493 1.348 20 30 EDEDLO COCCOC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766619017 580170429 /nfs/dbraw/zinc/17/04/29/580170429.db2.gz HLVFUTOCEMRQNM-UHFFFAOYSA-N 1 2 331.416 1.294 20 30 EDEDLO CN(C)c1cc(COC(=O)CCNC(=O)C2N=CC=CC2=O)cc[nH+]1 ZINC000767553600 580192709 /nfs/dbraw/zinc/19/27/09/580192709.db2.gz ARNSFELPLLDJCU-MSUUIHNZSA-N 1 2 344.371 1.107 20 30 EDEDLO C[C@@H]1C(=NNC(=S)NCC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC000767748843 580198472 /nfs/dbraw/zinc/19/84/72/580198472.db2.gz MCILRUCJSFYPQB-GOEBONIOSA-N 1 2 346.500 1.962 20 30 EDEDLO NC(=NOC[C@H]1CCCOC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000769877450 580247596 /nfs/dbraw/zinc/24/75/96/580247596.db2.gz JWTWVQGJEKNBBQ-INIZCTEOSA-N 1 2 333.432 1.582 20 30 EDEDLO C#CCNC(=O)c1ccc(N2CCC([N@H+](C)CC(F)F)CC2)nc1 ZINC000771163657 580281331 /nfs/dbraw/zinc/28/13/31/580281331.db2.gz OAHVNWCVMRMGHI-UHFFFAOYSA-N 1 2 336.386 1.610 20 30 EDEDLO C#CCNC(=O)c1ccc(N2CCC([N@@H+](C)CC(F)F)CC2)nc1 ZINC000771163657 580281332 /nfs/dbraw/zinc/28/13/32/580281332.db2.gz OAHVNWCVMRMGHI-UHFFFAOYSA-N 1 2 336.386 1.610 20 30 EDEDLO C[C@H]1COCCC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000772828224 580321525 /nfs/dbraw/zinc/32/15/25/580321525.db2.gz ZUFANLVPNQYZFQ-UGSOOPFHSA-N 1 2 342.399 1.394 20 30 EDEDLO C[C@H]1COCCC[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000772828224 580321526 /nfs/dbraw/zinc/32/15/26/580321526.db2.gz ZUFANLVPNQYZFQ-UGSOOPFHSA-N 1 2 342.399 1.394 20 30 EDEDLO CC(C)[C@@H](C(=O)OCCn1ncc(C#N)c1N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000778633313 580469243 /nfs/dbraw/zinc/46/92/43/580469243.db2.gz BFRZJKZJPJJMRX-NFAWXSAZSA-N 1 2 349.435 1.014 20 30 EDEDLO C[C@H]1CN=C(N[NH+]=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000779798950 580497665 /nfs/dbraw/zinc/49/76/65/580497665.db2.gz IQLVACCFPOWZPG-LBPRGKRZSA-N 1 2 330.392 1.856 20 30 EDEDLO CCC(CC)[C@@H](C(=O)NCc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000782028959 580564537 /nfs/dbraw/zinc/56/45/37/580564537.db2.gz MITFKSOIZKRYBX-KRWDZBQOSA-N 1 2 330.432 1.706 20 30 EDEDLO COc1ccc(O)c(/C=N\[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000782879831 580587484 /nfs/dbraw/zinc/58/74/84/580587484.db2.gz IKQMLWQXJLNFEV-UWOKGBPVSA-N 1 2 342.399 1.744 20 30 EDEDLO Cc1c(Cl)cnc(N2CC[NH+](CC[S@](C)=O)CC2)c1C#N ZINC000784162000 580614631 /nfs/dbraw/zinc/61/46/31/580614631.db2.gz KNFIOTKMPRMPBI-NRFANRHFSA-N 1 2 326.853 1.416 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000785366670 580641305 /nfs/dbraw/zinc/64/13/05/580641305.db2.gz KZGFZEOILJAGEK-HNNXBMFYSA-N 1 2 335.448 1.457 20 30 EDEDLO COc1cccc([C@@H](C#N)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1OC ZINC000786896998 580683154 /nfs/dbraw/zinc/68/31/54/580683154.db2.gz FFJKPJKEBWUHII-TZMCWYRMSA-N 1 2 340.383 1.844 20 30 EDEDLO C#CCn1cc(CNC(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)cn1 ZINC000788220878 580714558 /nfs/dbraw/zinc/71/45/58/580714558.db2.gz KUUUONVOLPCGLP-QGZVFWFLSA-N 1 2 332.448 1.270 20 30 EDEDLO NC(=[NH+]OC[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000788506307 580723114 /nfs/dbraw/zinc/72/31/14/580723114.db2.gz UOJVSEXQIQIINM-VIFPVBQESA-N 1 2 347.234 1.521 20 30 EDEDLO COc1nc(N)nc(N2CCCC2)c1C=[NH+]Nc1ncccc1C ZINC000790186732 580764093 /nfs/dbraw/zinc/76/40/93/580764093.db2.gz QTASOIZWGOCBQG-UHFFFAOYSA-N 1 2 327.392 1.817 20 30 EDEDLO Cc1cccnc1N[NH+]=Cc1c(Cl)nc(N)nc1N1CCOCC1 ZINC000790188491 580764128 /nfs/dbraw/zinc/76/41/28/580764128.db2.gz ZWPLXWSJNAYEEE-UHFFFAOYSA-N 1 2 347.810 1.698 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 ZINC000792622475 580824006 /nfs/dbraw/zinc/82/40/06/580824006.db2.gz OAHVJGYQOWFZQP-INIZCTEOSA-N 1 2 339.395 1.766 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(N2C(=O)CCCC2=O)c1 ZINC000792622475 580824007 /nfs/dbraw/zinc/82/40/07/580824007.db2.gz OAHVJGYQOWFZQP-INIZCTEOSA-N 1 2 339.395 1.766 20 30 EDEDLO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000794651215 580901378 /nfs/dbraw/zinc/90/13/78/580901378.db2.gz SQUOXZMEEZLCNK-SFHVURJKSA-N 1 2 331.416 1.979 20 30 EDEDLO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000794651215 580901379 /nfs/dbraw/zinc/90/13/79/580901379.db2.gz SQUOXZMEEZLCNK-SFHVURJKSA-N 1 2 331.416 1.979 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000798355259 580995133 /nfs/dbraw/zinc/99/51/33/580995133.db2.gz UVVBVNCBABAPHI-QZTJIDSGSA-N 1 2 345.443 1.133 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000798408708 580996609 /nfs/dbraw/zinc/99/66/09/580996609.db2.gz ATXZCPXZJCELET-CYBMUJFWSA-N 1 2 331.482 1.149 20 30 EDEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C\c1cn(C)c[nH+]1 ZINC000800794302 581058542 /nfs/dbraw/zinc/05/85/42/581058542.db2.gz BKFAHBZQIHUFBB-WAYWQWQTSA-N 1 2 336.417 1.174 20 30 EDEDLO COc1cc(OC)cc(-n2nnnc2C[N@H+](C)CCO[C@H](C)C#N)c1 ZINC000801926635 581088274 /nfs/dbraw/zinc/08/82/74/581088274.db2.gz UFLUACBWDNUGCA-GFCCVEGCSA-N 1 2 346.391 1.040 20 30 EDEDLO COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)CCO[C@H](C)C#N)c1 ZINC000801926635 581088275 /nfs/dbraw/zinc/08/82/75/581088275.db2.gz UFLUACBWDNUGCA-GFCCVEGCSA-N 1 2 346.391 1.040 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N(C)C)cc2C)C1 ZINC000891606687 591147615 /nfs/dbraw/zinc/14/76/15/591147615.db2.gz IDDCHWKFUFFHQW-HNNXBMFYSA-N 1 2 342.443 1.213 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(N(C)C)cc2C)C1 ZINC000891606687 591147618 /nfs/dbraw/zinc/14/76/18/591147618.db2.gz IDDCHWKFUFFHQW-HNNXBMFYSA-N 1 2 342.443 1.213 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2CO)CC1 ZINC000891704856 591192966 /nfs/dbraw/zinc/19/29/66/591192966.db2.gz BYWUZXXHHWGEPH-AWEZNQCLSA-N 1 2 330.432 1.087 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2N1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000895844925 591283849 /nfs/dbraw/zinc/28/38/49/591283849.db2.gz JGXRYFWTRRKYAH-ZDUSSCGKSA-N 1 2 334.387 1.711 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1NC[C@]1(OC)CCS(=O)(=O)C1 ZINC000895882129 591295668 /nfs/dbraw/zinc/29/56/68/591295668.db2.gz XYJASCZKQPPICP-MRXNPFEDSA-N 1 2 338.429 1.489 20 30 EDEDLO Cc1ccc(CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)cc1C#N ZINC000896117341 591349031 /nfs/dbraw/zinc/34/90/31/591349031.db2.gz JBINJZIEYYEALD-UHFFFAOYSA-N 1 2 336.399 1.547 20 30 EDEDLO Cc1ccc(CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)cc1C#N ZINC000896117341 591349035 /nfs/dbraw/zinc/34/90/35/591349035.db2.gz JBINJZIEYYEALD-UHFFFAOYSA-N 1 2 336.399 1.547 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1NCCCn1ccc(=O)[nH]c1=O ZINC000897422241 591380417 /nfs/dbraw/zinc/38/04/17/591380417.db2.gz FFVBADZLWJLCLJ-UHFFFAOYSA-N 1 2 328.372 1.638 20 30 EDEDLO C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896546817 591508929 /nfs/dbraw/zinc/50/89/29/591508929.db2.gz YKHBUVQNACHAOB-RHSMWYFYSA-N 1 2 328.460 1.852 20 30 EDEDLO C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000896546817 591508931 /nfs/dbraw/zinc/50/89/31/591508931.db2.gz YKHBUVQNACHAOB-RHSMWYFYSA-N 1 2 328.460 1.852 20 30 EDEDLO COc1cc2c(cc1C[NH+]1CCN(C(=O)CC#N)CC1)O[C@@H](C)C2 ZINC000895068151 591562211 /nfs/dbraw/zinc/56/22/11/591562211.db2.gz LEWAIGHGKHKNOA-ZDUSSCGKSA-N 1 2 329.400 1.576 20 30 EDEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000898893508 591588604 /nfs/dbraw/zinc/58/86/04/591588604.db2.gz DQIVHNBEOOZOSK-CQSZACIVSA-N 1 2 330.363 1.558 20 30 EDEDLO O=C1[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCCN1O ZINC000895156244 591623397 /nfs/dbraw/zinc/62/33/97/591623397.db2.gz BGGJAATXVPAVDL-JTQLQIEISA-N 1 2 333.157 1.764 20 30 EDEDLO O=C1[C@@H]([NH2+]Cc2cc(Br)cnc2Cl)CCCN1O ZINC000895158939 591626311 /nfs/dbraw/zinc/62/63/11/591626311.db2.gz QXTXENMZULIEBO-VIFPVBQESA-N 1 2 334.601 1.967 20 30 EDEDLO N#Cc1c[nH]c2cc(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)ccc12 ZINC000899064901 591669326 /nfs/dbraw/zinc/66/93/26/591669326.db2.gz IVPQFWBNCKGKOO-UHFFFAOYSA-N 1 2 340.383 1.218 20 30 EDEDLO N#Cc1c[nH]c2cc(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)ccc12 ZINC000899064901 591669328 /nfs/dbraw/zinc/66/93/28/591669328.db2.gz IVPQFWBNCKGKOO-UHFFFAOYSA-N 1 2 340.383 1.218 20 30 EDEDLO CCn1cc(/C=C/C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)nn1 ZINC000899343113 591786491 /nfs/dbraw/zinc/78/64/91/591786491.db2.gz ODHRATZTOOSODZ-GQCTYLIASA-N 1 2 342.399 1.732 20 30 EDEDLO COC(=O)[C@@](C)(Cn1cccn1)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000898340548 591877975 /nfs/dbraw/zinc/87/79/75/591877975.db2.gz QTQVCSJDOPGKAW-QGZVFWFLSA-N 1 2 338.371 1.124 20 30 EDEDLO COCC[C@@H]1CCN(C[N@H+](CCOC)Cc2ccc(C#N)cc2)C1=O ZINC000902086463 591915812 /nfs/dbraw/zinc/91/58/12/591915812.db2.gz QEVIZEAUZJOITL-SFHVURJKSA-N 1 2 345.443 1.849 20 30 EDEDLO COCC[C@@H]1CCN(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)C1=O ZINC000902086463 591915814 /nfs/dbraw/zinc/91/58/14/591915814.db2.gz QEVIZEAUZJOITL-SFHVURJKSA-N 1 2 345.443 1.849 20 30 EDEDLO C=CC[N@H+](CN1C(=O)[C@@H]2C[C@]2(c2ccccc2)C1=O)[C@@H](C)COC ZINC000902311662 591974597 /nfs/dbraw/zinc/97/45/97/591974597.db2.gz GECIAVVUHPECQI-URLQWDBASA-N 1 2 328.412 1.794 20 30 EDEDLO C=CC[N@@H+](CN1C(=O)[C@@H]2C[C@]2(c2ccccc2)C1=O)[C@@H](C)COC ZINC000902311662 591974600 /nfs/dbraw/zinc/97/46/00/591974600.db2.gz GECIAVVUHPECQI-URLQWDBASA-N 1 2 328.412 1.794 20 30 EDEDLO COCC[C@H]1CCN(C[N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000902345421 591977376 /nfs/dbraw/zinc/97/73/76/591977376.db2.gz KSGWKDFVLJZDBM-MRXNPFEDSA-N 1 2 327.428 1.953 20 30 EDEDLO COCC[C@H]1CCN(C[N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000902345421 591977378 /nfs/dbraw/zinc/97/73/78/591977378.db2.gz KSGWKDFVLJZDBM-MRXNPFEDSA-N 1 2 327.428 1.953 20 30 EDEDLO COc1cccc2c1CN(C[NH+]1CCC3(CC1)CC(=O)C=CO3)C2=O ZINC000902609598 592025194 /nfs/dbraw/zinc/02/51/94/592025194.db2.gz RDQZLFNIDJILEM-UHFFFAOYSA-N 1 2 342.395 1.946 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1 ZINC000907166101 592531256 /nfs/dbraw/zinc/53/12/56/592531256.db2.gz XDUFSMSBFFHMKW-CQSZACIVSA-N 1 2 330.369 1.190 20 30 EDEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000908649939 592566915 /nfs/dbraw/zinc/56/69/15/592566915.db2.gz SOKNBPZZWGVSIZ-CQSZACIVSA-N 1 2 325.372 1.802 20 30 EDEDLO C=CCn1c(-c2ncon2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000908729280 592586521 /nfs/dbraw/zinc/58/65/21/592586521.db2.gz NHUFLNJFCDONIQ-UHFFFAOYSA-N 1 2 338.375 1.236 20 30 EDEDLO C=CC[C@@H]([NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OC ZINC000905778780 592636499 /nfs/dbraw/zinc/63/64/99/592636499.db2.gz SJDXBIFCJOSSMR-SWLSCSKDSA-N 1 2 325.430 1.901 20 30 EDEDLO C=CCCC[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(=O)[O-] ZINC000909093693 592729852 /nfs/dbraw/zinc/72/98/52/592729852.db2.gz CMAHGZPEAGVRPN-HNNXBMFYSA-N 1 2 340.468 1.121 20 30 EDEDLO C=C(C)Cn1c(-c2cccnn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000909302130 592802763 /nfs/dbraw/zinc/80/27/63/592802763.db2.gz SHLVIOSWFADLCV-UHFFFAOYSA-N 1 2 343.435 1.080 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000907835956 592810706 /nfs/dbraw/zinc/81/07/06/592810706.db2.gz LDMPPORGXKYJKJ-ROJDOSBLSA-N 1 2 330.428 1.913 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000906588289 592852280 /nfs/dbraw/zinc/85/22/80/592852280.db2.gz VUHNMFCDMADAPI-FHWLQOOXSA-N 1 2 344.455 1.845 20 30 EDEDLO CN(C(=O)COC(=O)c1ccc(N)c(-n2cc[nH+]c2)c1)C(C)(C)C#N ZINC000838097451 593123908 /nfs/dbraw/zinc/12/39/08/593123908.db2.gz KYDCBQCQANMKLM-UHFFFAOYSA-N 1 2 341.371 1.372 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000839846763 593198911 /nfs/dbraw/zinc/19/89/11/593198911.db2.gz NDSRIZHVKDAASS-JXFKEZNVSA-N 1 2 338.407 1.721 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000839846763 593198912 /nfs/dbraw/zinc/19/89/12/593198912.db2.gz NDSRIZHVKDAASS-JXFKEZNVSA-N 1 2 338.407 1.721 20 30 EDEDLO C#Cc1ccc(CNC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)cc1 ZINC000838643353 593200454 /nfs/dbraw/zinc/20/04/54/593200454.db2.gz QKIOQZAVBIFRSC-UHFFFAOYSA-N 1 2 337.427 1.429 20 30 EDEDLO C=CCONC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000838702126 593205807 /nfs/dbraw/zinc/20/58/07/593205807.db2.gz NTVBURBWVKWOLI-UHFFFAOYSA-N 1 2 333.388 1.403 20 30 EDEDLO Cc1cc(C)c(N[NH+]=Cc2c(=O)n(C)c(=O)n(C)c2N(C)C)c(C)c1 ZINC000807973940 593213190 /nfs/dbraw/zinc/21/31/90/593213190.db2.gz NYJUAWXQZAXTTD-UHFFFAOYSA-N 1 2 343.431 1.521 20 30 EDEDLO C[C@H]1C(=O)N(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C[C@H]1C ZINC000839960464 593240704 /nfs/dbraw/zinc/24/07/04/593240704.db2.gz KIMCRFQNBKDZFM-ZIAGYGMSSA-N 1 2 330.407 1.891 20 30 EDEDLO Cc1nsc(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1C#N ZINC000839102015 593261650 /nfs/dbraw/zinc/26/16/50/593261650.db2.gz PEGPYXBRVLTKKC-UHFFFAOYSA-N 1 2 345.432 1.406 20 30 EDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000839500301 593311987 /nfs/dbraw/zinc/31/19/87/593311987.db2.gz FMDAHFIWEQSXBI-KMYSJOAASA-N 1 2 341.455 1.738 20 30 EDEDLO C#CC[C@]1(C(=O)NCc2c[nH+]c[nH]2)CCCN1C(=O)OC(C)(C)C ZINC000809688887 593354647 /nfs/dbraw/zinc/35/46/47/593354647.db2.gz GNCYTQODGIOOCC-QGZVFWFLSA-N 1 2 332.404 1.819 20 30 EDEDLO C#CC[C@]1(C(=O)NCc2c[nH]c[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000809688887 593354648 /nfs/dbraw/zinc/35/46/48/593354648.db2.gz GNCYTQODGIOOCC-QGZVFWFLSA-N 1 2 332.404 1.819 20 30 EDEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810034877 593376511 /nfs/dbraw/zinc/37/65/11/593376511.db2.gz YYXWUUKIZSAPQL-OAHLLOKOSA-N 1 2 336.436 1.540 20 30 EDEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810034877 593376513 /nfs/dbraw/zinc/37/65/13/593376513.db2.gz YYXWUUKIZSAPQL-OAHLLOKOSA-N 1 2 336.436 1.540 20 30 EDEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)c2cncc(C#N)c2)c1C ZINC000810044924 593376972 /nfs/dbraw/zinc/37/69/72/593376972.db2.gz VMBGCPMWASEUGA-UHFFFAOYSA-N 1 2 332.385 1.452 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000804139552 593390169 /nfs/dbraw/zinc/39/01/69/593390169.db2.gz ZOFHZAMBZCMAKA-LBPRGKRZSA-N 1 2 330.413 1.854 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000804139552 593390172 /nfs/dbraw/zinc/39/01/72/593390172.db2.gz ZOFHZAMBZCMAKA-LBPRGKRZSA-N 1 2 330.413 1.854 20 30 EDEDLO O[C@@H]1CCC[C@H]1NN=Cc1ccc(C=[NH+]N[C@@H]2CCC[C@H]2O)cc1 ZINC000817331725 593593037 /nfs/dbraw/zinc/59/30/37/593593037.db2.gz URGOEIJVWLEPTF-BRSBDYLESA-N 1 2 330.432 1.360 20 30 EDEDLO NS(=O)(=O)c1ccc(NNC2=C[C@@H](C(F)(F)F)OCC2)[nH+]c1 ZINC000814798193 593603190 /nfs/dbraw/zinc/60/31/90/593603190.db2.gz CZOIOYWMQRXYBO-VIFPVBQESA-N 1 2 338.311 1.238 20 30 EDEDLO C#C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)C1CCOCC1 ZINC000823158617 594162100 /nfs/dbraw/zinc/16/21/00/594162100.db2.gz JAXGWASMWCIMFA-GJZGRUSLSA-N 1 2 348.447 1.207 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccnc(Cl)c1F ZINC000823372134 594193589 /nfs/dbraw/zinc/19/35/89/594193589.db2.gz WZRUBQHLGHYDDC-UHFFFAOYSA-N 1 2 326.803 1.922 20 30 EDEDLO C#Cc1cnc(N2CC[NH+](CC(=O)NC3CCC(C)CC3)CC2)nc1 ZINC000827557457 594232664 /nfs/dbraw/zinc/23/26/64/594232664.db2.gz LRWBCQBWRDJAAK-UHFFFAOYSA-N 1 2 341.459 1.275 20 30 EDEDLO C#Cc1cnc(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)nc1 ZINC000827624206 594246487 /nfs/dbraw/zinc/24/64/87/594246487.db2.gz XEZKNYXKPYIRMW-GOSISDBHSA-N 1 2 347.422 1.385 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000829983417 594306759 /nfs/dbraw/zinc/30/67/59/594306759.db2.gz TZZFGTNNAWHVKZ-AWEZNQCLSA-N 1 2 338.751 1.537 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000829983417 594306762 /nfs/dbraw/zinc/30/67/62/594306762.db2.gz TZZFGTNNAWHVKZ-AWEZNQCLSA-N 1 2 338.751 1.537 20 30 EDEDLO N#Cc1ccc(F)c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000830156866 594346674 /nfs/dbraw/zinc/34/66/74/594346674.db2.gz ZROJYSPNAKTYLV-OAHLLOKOSA-N 1 2 347.390 1.261 20 30 EDEDLO N#Cc1cccc([C@@H]2CN(C(=O)/C=C\C[NH+]3CCOCC3)CCO2)c1 ZINC000867066734 594366126 /nfs/dbraw/zinc/36/61/26/594366126.db2.gz QKYSYZSEWXYLIJ-XBNAYTBKSA-N 1 2 341.411 1.347 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(SC)oc2C)CC1 ZINC000826550471 594522740 /nfs/dbraw/zinc/52/27/40/594522740.db2.gz SRHBTMMCIDVUKV-UHFFFAOYSA-N 1 2 349.456 1.207 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(SC)oc2C)CC1 ZINC000826550471 594522741 /nfs/dbraw/zinc/52/27/41/594522741.db2.gz SRHBTMMCIDVUKV-UHFFFAOYSA-N 1 2 349.456 1.207 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831455449 594633644 /nfs/dbraw/zinc/63/36/44/594633644.db2.gz UXNDDQHLWSSSCA-AWEZNQCLSA-N 1 2 333.411 1.351 20 30 EDEDLO CNC(=S)N(C)[NH+]=Cc1cc2ccccc2nc1N1CCOCC1 ZINC000841648487 594930980 /nfs/dbraw/zinc/93/09/80/594930980.db2.gz LFVZZLWFOJMXHC-UHFFFAOYSA-N 1 2 343.456 1.841 20 30 EDEDLO COC(=O)c1csc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)n1 ZINC000842035105 595006296 /nfs/dbraw/zinc/00/62/96/595006296.db2.gz IKUAXODPQQKNBD-UHFFFAOYSA-N 1 2 333.369 1.702 20 30 EDEDLO N#Cc1csc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000842080709 595014742 /nfs/dbraw/zinc/01/47/42/595014742.db2.gz ILWORPJUOLGEOW-OAHLLOKOSA-N 1 2 343.408 1.959 20 30 EDEDLO N#Cc1csc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000842080709 595014744 /nfs/dbraw/zinc/01/47/44/595014744.db2.gz ILWORPJUOLGEOW-OAHLLOKOSA-N 1 2 343.408 1.959 20 30 EDEDLO C=C[C@H](C)ONC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000845632321 595035650 /nfs/dbraw/zinc/03/56/50/595035650.db2.gz KFJIITGNSYFNJO-DOTOQJQBSA-N 1 2 333.432 1.735 20 30 EDEDLO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000834488542 595140310 /nfs/dbraw/zinc/14/03/10/595140310.db2.gz DFNDFAAEXLSWTG-WRWORJQWSA-N 1 2 334.177 1.167 20 30 EDEDLO C#CC1CC[NH+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000842637114 595153056 /nfs/dbraw/zinc/15/30/56/595153056.db2.gz RXZBWLVSOCKVSP-QGZVFWFLSA-N 1 2 329.356 1.835 20 30 EDEDLO C#CCn1cc(CNC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)cn1 ZINC000834614698 595175673 /nfs/dbraw/zinc/17/56/73/595175673.db2.gz NOJXJXUQWWUSGW-LBPRGKRZSA-N 1 2 339.321 1.602 20 30 EDEDLO C=CCONC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000834929353 595240048 /nfs/dbraw/zinc/24/00/48/595240048.db2.gz MAAHOUGKRDZKEC-OAHLLOKOSA-N 1 2 346.387 1.944 20 30 EDEDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)COc1cccc(C#N)c1 ZINC000842963079 595244425 /nfs/dbraw/zinc/24/44/25/595244425.db2.gz JKLVVRUFYQRDKL-YOEHRIQHSA-N 1 2 348.399 1.216 20 30 EDEDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)COc1cccc(C#N)c1 ZINC000842963079 595244428 /nfs/dbraw/zinc/24/44/28/595244428.db2.gz JKLVVRUFYQRDKL-YOEHRIQHSA-N 1 2 348.399 1.216 20 30 EDEDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)COc1cccc(C#N)c1 ZINC000842963073 595244777 /nfs/dbraw/zinc/24/47/77/595244777.db2.gz JKLVVRUFYQRDKL-RHSMWYFYSA-N 1 2 348.399 1.216 20 30 EDEDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)COc1cccc(C#N)c1 ZINC000842963073 595244778 /nfs/dbraw/zinc/24/47/78/595244778.db2.gz JKLVVRUFYQRDKL-RHSMWYFYSA-N 1 2 348.399 1.216 20 30 EDEDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ncc(C#N)cc1C ZINC000842964223 595245432 /nfs/dbraw/zinc/24/54/32/595245432.db2.gz AHUTVUYXQGDWAW-UKRRQHHQSA-N 1 2 333.388 1.154 20 30 EDEDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ncc(C#N)cc1C ZINC000842964223 595245435 /nfs/dbraw/zinc/24/54/35/595245435.db2.gz AHUTVUYXQGDWAW-UKRRQHHQSA-N 1 2 333.388 1.154 20 30 EDEDLO CCN1C[C@H](C[NH+]2CCN(c3cccc(F)c3C#N)CC2)OC1=O ZINC000846760010 595313307 /nfs/dbraw/zinc/31/33/07/595313307.db2.gz NFKCXARIQVCYJE-ZDUSSCGKSA-N 1 2 332.379 1.660 20 30 EDEDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371670 595332847 /nfs/dbraw/zinc/33/28/47/595332847.db2.gz PZIOTTOQHNQHHR-JOYOIKCWSA-N 1 2 332.795 1.705 20 30 EDEDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371670 595332851 /nfs/dbraw/zinc/33/28/51/595332851.db2.gz PZIOTTOQHNQHHR-JOYOIKCWSA-N 1 2 332.795 1.705 20 30 EDEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000846955003 595342102 /nfs/dbraw/zinc/34/21/02/595342102.db2.gz KHDUBWIKTZLTMT-GOSISDBHSA-N 1 2 343.427 1.802 20 30 EDEDLO C#C[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 ZINC000847023516 595352343 /nfs/dbraw/zinc/35/23/43/595352343.db2.gz CWYOVPPZSVXVMG-JSGCOSHPSA-N 1 2 332.425 1.985 20 30 EDEDLO C#C[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 ZINC000847023516 595352345 /nfs/dbraw/zinc/35/23/45/595352345.db2.gz CWYOVPPZSVXVMG-JSGCOSHPSA-N 1 2 332.425 1.985 20 30 EDEDLO C[C@H](O)C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000847095412 595363338 /nfs/dbraw/zinc/36/33/38/595363338.db2.gz PWULBOODGJSVPW-FZMZJTMJSA-N 1 2 340.383 1.357 20 30 EDEDLO C[C@H](O)C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000847095412 595363341 /nfs/dbraw/zinc/36/33/41/595363341.db2.gz PWULBOODGJSVPW-FZMZJTMJSA-N 1 2 340.383 1.357 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C(=O)N(CC)CCC)cc2)CC1 ZINC000112920776 595569271 /nfs/dbraw/zinc/56/92/71/595569271.db2.gz ZDNAVMQXCHCSTH-UHFFFAOYSA-N 1 2 341.455 1.950 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)CC1 ZINC000112921129 595570006 /nfs/dbraw/zinc/57/00/06/595570006.db2.gz WBZXODVHYIBMOH-RHSMWYFYSA-N 1 2 325.412 1.672 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000850994193 595697107 /nfs/dbraw/zinc/69/71/07/595697107.db2.gz BTTGIFJNEIHMKC-HZPDHXFCSA-N 1 2 346.431 1.455 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)O[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000850994193 595697110 /nfs/dbraw/zinc/69/71/10/595697110.db2.gz BTTGIFJNEIHMKC-HZPDHXFCSA-N 1 2 346.431 1.455 20 30 EDEDLO Cc1[nH]c(CN=Nc2ccc(S(=O)(=O)NC3CC3)cn2)[nH+]c1C ZINC000853289291 595729281 /nfs/dbraw/zinc/72/92/81/595729281.db2.gz VZZBDJJYEJNFJA-UHFFFAOYSA-N 1 2 334.405 1.308 20 30 EDEDLO C#CCCN(CCOC)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000853399483 595747852 /nfs/dbraw/zinc/74/78/52/595747852.db2.gz QQZSGWHPMOQBFN-UHFFFAOYSA-N 1 2 330.432 1.732 20 30 EDEDLO C=CCS(=O)(=O)CCNc1cc[nH+]c(-c2ccc(OC)cc2)n1 ZINC000853475268 595762170 /nfs/dbraw/zinc/76/21/70/595762170.db2.gz GMAPHONHRIQRLL-UHFFFAOYSA-N 1 2 333.413 1.587 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853524401 595784653 /nfs/dbraw/zinc/78/46/53/595784653.db2.gz MSUYGTHEHDCGKL-ZIAGYGMSSA-N 1 2 336.436 1.695 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000853524401 595784657 /nfs/dbraw/zinc/78/46/57/595784657.db2.gz MSUYGTHEHDCGKL-ZIAGYGMSSA-N 1 2 336.436 1.695 20 30 EDEDLO C#CCOCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000851715628 595895174 /nfs/dbraw/zinc/89/51/74/595895174.db2.gz ZWGOSSMINOFKPX-UHFFFAOYSA-N 1 2 342.848 1.296 20 30 EDEDLO C#CCCOC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000858946381 595929521 /nfs/dbraw/zinc/92/95/21/595929521.db2.gz JRZSYGYSRGHECO-UHFFFAOYSA-N 1 2 330.388 1.033 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000859037808 595959639 /nfs/dbraw/zinc/95/96/39/595959639.db2.gz FRSVIUCGUAONQL-HNNXBMFYSA-N 1 2 326.400 1.984 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCn2c[nH+]cc2C1 ZINC000852061150 596028272 /nfs/dbraw/zinc/02/82/72/596028272.db2.gz NYADNEAMBPNCOA-OAHLLOKOSA-N 1 2 344.378 1.936 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CCCC)C(C)C)CC1 ZINC000857117383 596161891 /nfs/dbraw/zinc/16/18/91/596161891.db2.gz IDEFFOBRHNGJHN-QGZVFWFLSA-N 1 2 335.492 1.733 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CCCC)C(C)C)CC1 ZINC000857117383 596161894 /nfs/dbraw/zinc/16/18/94/596161894.db2.gz IDEFFOBRHNGJHN-QGZVFWFLSA-N 1 2 335.492 1.733 20 30 EDEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C ZINC000852751937 596237809 /nfs/dbraw/zinc/23/78/09/596237809.db2.gz JUSCZKKAZLMUCF-UHFFFAOYSA-N 1 2 346.387 1.455 20 30 EDEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C ZINC000852751937 596237810 /nfs/dbraw/zinc/23/78/10/596237810.db2.gz JUSCZKKAZLMUCF-UHFFFAOYSA-N 1 2 346.387 1.455 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](CCc2cnccn2)CC1)C(C)(C)C ZINC000868615885 596247932 /nfs/dbraw/zinc/24/79/32/596247932.db2.gz OMPPMAMNNPRISL-INIZCTEOSA-N 1 2 329.448 1.394 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000862192582 596268212 /nfs/dbraw/zinc/26/82/12/596268212.db2.gz NXTUKKXLMJSIGN-CYBMUJFWSA-N 1 2 328.372 1.126 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn(CC(F)F)c3)CC2)cn1 ZINC000862423180 596326400 /nfs/dbraw/zinc/32/64/00/596326400.db2.gz QONNBHKMACBBIQ-UHFFFAOYSA-N 1 2 332.358 1.737 20 30 EDEDLO Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1C#N ZINC000862642514 596371428 /nfs/dbraw/zinc/37/14/28/596371428.db2.gz IFTOUGMJLPXHJE-IBGZPJMESA-N 1 2 343.427 1.212 20 30 EDEDLO Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1C#N ZINC000862642514 596371432 /nfs/dbraw/zinc/37/14/32/596371432.db2.gz IFTOUGMJLPXHJE-IBGZPJMESA-N 1 2 343.427 1.212 20 30 EDEDLO N#Cc1sccc1N1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000869235017 596455681 /nfs/dbraw/zinc/45/56/81/596455681.db2.gz INAZDSXTJVZXSP-OWOJBTEDSA-N 1 2 346.456 1.157 20 30 EDEDLO C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1OC ZINC000862972663 596470984 /nfs/dbraw/zinc/47/09/84/596470984.db2.gz FDGPUNURAIVSAB-QKIRZYONSA-N 1 2 346.427 1.720 20 30 EDEDLO C=CCOc1ccc(/C=C\C(=O)NC[C@@H]2COCC[N@H+]2C)cc1OC ZINC000862972663 596470987 /nfs/dbraw/zinc/47/09/87/596470987.db2.gz FDGPUNURAIVSAB-QKIRZYONSA-N 1 2 346.427 1.720 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)o1 ZINC000867761650 596536602 /nfs/dbraw/zinc/53/66/02/596536602.db2.gz WXEFBDGEDLOJNS-ZDUSSCGKSA-N 1 2 344.396 1.720 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000863481185 596593982 /nfs/dbraw/zinc/59/39/82/596593982.db2.gz BJSRUUTXSAAOBD-HNNXBMFYSA-N 1 2 325.412 1.850 20 30 EDEDLO C[C@H](O)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C(=O)OCc1ccccc1 ZINC000863561781 596619702 /nfs/dbraw/zinc/61/97/02/596619702.db2.gz DAQSYJINGCRXPD-BPUTZDHNSA-N 1 2 332.400 1.124 20 30 EDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)C#Cc2ccccc2)CC1 ZINC000871543298 596622503 /nfs/dbraw/zinc/62/25/03/596622503.db2.gz NSIDEAOBIBTXAV-UHFFFAOYSA-N 1 2 342.439 1.960 20 30 EDEDLO C[C@H]1OCC[C@H]1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000871729420 596679623 /nfs/dbraw/zinc/67/96/23/596679623.db2.gz NWYZNGVVZNXINI-PBHICJAKSA-N 1 2 333.432 1.581 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000863942910 596722742 /nfs/dbraw/zinc/72/27/42/596722742.db2.gz FZPWQXAGQQDZJF-GOSISDBHSA-N 1 2 325.412 1.061 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000863942910 596722744 /nfs/dbraw/zinc/72/27/44/596722744.db2.gz FZPWQXAGQQDZJF-GOSISDBHSA-N 1 2 325.412 1.061 20 30 EDEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868278153 596760307 /nfs/dbraw/zinc/76/03/07/596760307.db2.gz YXEBJLJVZZKJAE-ARJAWSKDSA-N 1 2 334.416 1.565 20 30 EDEDLO CCOC(=O)c1ccc(S(=O)(=O)NN=C2CC[N@H+](C)[C@@H]2C)cc1 ZINC000872357339 596895224 /nfs/dbraw/zinc/89/52/24/596895224.db2.gz BGGUAWLERHGCHZ-LLVKDONJSA-N 1 2 339.417 1.222 20 30 EDEDLO CCOC(=O)c1ccc(S(=O)(=O)NN=C2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000872357339 596895226 /nfs/dbraw/zinc/89/52/26/596895226.db2.gz BGGUAWLERHGCHZ-LLVKDONJSA-N 1 2 339.417 1.222 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNS(=O)(=O)CC1(C#N)CCCC1 ZINC000872642366 597005268 /nfs/dbraw/zinc/00/52/68/597005268.db2.gz CRCGYXTUOVBRBX-AWEZNQCLSA-N 1 2 329.466 1.101 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNS(=O)(=O)CC1(C#N)CCCC1 ZINC000872642366 597005271 /nfs/dbraw/zinc/00/52/71/597005271.db2.gz CRCGYXTUOVBRBX-AWEZNQCLSA-N 1 2 329.466 1.101 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000875913331 597032417 /nfs/dbraw/zinc/03/24/17/597032417.db2.gz BWVWLYBIFJLDKE-KBPBESRZSA-N 1 2 336.436 1.207 20 30 EDEDLO C=CC(C)(C)CCCNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000875180111 597317107 /nfs/dbraw/zinc/31/71/07/597317107.db2.gz NZBUZMYRCTZQDS-GJZGRUSLSA-N 1 2 339.480 1.320 20 30 EDEDLO C=CCCOCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000875426515 597423722 /nfs/dbraw/zinc/42/37/22/597423722.db2.gz AAIXCYVAQAJVST-JKSUJKDBSA-N 1 2 346.431 1.139 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc3oc(=O)n(C)c3c2)CC1 ZINC000877566467 597536910 /nfs/dbraw/zinc/53/69/10/597536910.db2.gz JEBNPJAIAYCXIO-UHFFFAOYSA-N 1 2 329.356 1.410 20 30 EDEDLO C=C(Cl)C[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)C(=O)OCC ZINC000877672030 597546661 /nfs/dbraw/zinc/54/66/61/597546661.db2.gz UVHAHYMXRSDJNB-DGCLKSJQSA-N 1 2 337.869 1.864 20 30 EDEDLO CCn1nnc(C)c1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000877746505 597552668 /nfs/dbraw/zinc/55/26/68/597552668.db2.gz BFDZIUOKODHKGH-UHFFFAOYSA-N 1 2 328.395 1.939 20 30 EDEDLO C[C@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1ccc(C#N)c(F)c1 ZINC000883334509 597717863 /nfs/dbraw/zinc/71/78/63/597717863.db2.gz BDDJDPRFRKYRGG-JTQLQIEISA-N 1 2 326.335 1.290 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000884118641 597999756 /nfs/dbraw/zinc/99/97/56/597999756.db2.gz LSLIDDVNLUJIGQ-MNOVXSKESA-N 1 2 333.413 1.920 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(C2CCCCC2)nn1C ZINC000884158470 598010612 /nfs/dbraw/zinc/01/06/12/598010612.db2.gz CSNQIKDAMCQXRD-ZDUSSCGKSA-N 1 2 334.420 1.853 20 30 EDEDLO C#CCNc1nc(N2CCC(F)CC2)nc(N2CCC(F)CC2)[nH+]1 ZINC000882805637 598064019 /nfs/dbraw/zinc/06/40/19/598064019.db2.gz OEFPZHFKNGCYJO-UHFFFAOYSA-N 1 2 336.390 1.215 20 30 EDEDLO C#CCNc1nc(N2CCC(F)CC2)[nH+]c(N2CCC(F)CC2)n1 ZINC000882805637 598064023 /nfs/dbraw/zinc/06/40/23/598064023.db2.gz OEFPZHFKNGCYJO-UHFFFAOYSA-N 1 2 336.390 1.215 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000884332786 598071169 /nfs/dbraw/zinc/07/11/69/598071169.db2.gz WAFDCEWQJNONKG-ZDUSSCGKSA-N 1 2 338.791 1.338 20 30 EDEDLO C#CCC1(O)CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000882970584 598121400 /nfs/dbraw/zinc/12/14/00/598121400.db2.gz HUHYDEASEFGWOU-HNNXBMFYSA-N 1 2 330.432 1.040 20 30 EDEDLO C#CCC1(O)CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000882970584 598121401 /nfs/dbraw/zinc/12/14/01/598121401.db2.gz HUHYDEASEFGWOU-HNNXBMFYSA-N 1 2 330.432 1.040 20 30 EDEDLO C=CC(C)(C)CC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060462371 695230211 /nfs/dbraw/zinc/23/02/11/695230211.db2.gz BFOJGZLZHCYAOD-CQSZACIVSA-N 1 2 332.448 1.909 20 30 EDEDLO N#C[C@@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000914329337 695362397 /nfs/dbraw/zinc/36/23/97/695362397.db2.gz ZBSPCJQAFVHOEL-GOEBONIOSA-N 1 2 338.477 1.139 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001031077928 695478894 /nfs/dbraw/zinc/47/88/94/695478894.db2.gz OQRDCQLNDFZQHZ-WMZOPIPTSA-N 1 2 345.443 1.057 20 30 EDEDLO C=CCCn1cc(C(=O)NC2C[NH+](CC3CC(F)(F)C3)C2)nn1 ZINC001031079825 695481315 /nfs/dbraw/zinc/48/13/15/695481315.db2.gz NCWIUPLRMSJTKS-UHFFFAOYSA-N 1 2 325.363 1.314 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2cnnn2C)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993282157 695904283 /nfs/dbraw/zinc/90/42/83/695904283.db2.gz PQOMDUOCZQAQEH-XJKSGUPXSA-N 1 2 338.415 1.470 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2cnnn2C)CCC[N@H+]1Cc1ccccc1C#N ZINC000993282157 695904285 /nfs/dbraw/zinc/90/42/85/695904285.db2.gz PQOMDUOCZQAQEH-XJKSGUPXSA-N 1 2 338.415 1.470 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc3n[nH]nc3c2)[C@H]1C ZINC000993426226 696107729 /nfs/dbraw/zinc/10/77/29/696107729.db2.gz QFBKEIJVENJNBB-ZYHUDNBSSA-N 1 2 334.811 1.688 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3n[nH]nc3c2)[C@H]1C ZINC000993426226 696107731 /nfs/dbraw/zinc/10/77/31/696107731.db2.gz QFBKEIJVENJNBB-ZYHUDNBSSA-N 1 2 334.811 1.688 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3cccc4c3CCOC4)C2)nc1 ZINC001031278204 696109072 /nfs/dbraw/zinc/10/90/72/696109072.db2.gz HHOXPUWYCAEUCO-UHFFFAOYSA-N 1 2 347.418 1.750 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(C)no3)[C@@H]2C)nn1 ZINC000993955879 696462639 /nfs/dbraw/zinc/46/26/39/696462639.db2.gz XWFCIWDDXQZDPY-HIFRSBDPSA-N 1 2 344.419 1.543 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C)no3)[C@@H]2C)nn1 ZINC000993955879 696462641 /nfs/dbraw/zinc/46/26/41/696462641.db2.gz XWFCIWDDXQZDPY-HIFRSBDPSA-N 1 2 344.419 1.543 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnon2)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000994035327 696501221 /nfs/dbraw/zinc/50/12/21/696501221.db2.gz FAVBXMCVPNJVOL-CZUORRHYSA-N 1 2 342.374 1.843 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnon2)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000994035327 696501223 /nfs/dbraw/zinc/50/12/23/696501223.db2.gz FAVBXMCVPNJVOL-CZUORRHYSA-N 1 2 342.374 1.843 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC(C)([NH2+]Cc2nnsc2Cl)CC1 ZINC000940010077 700111807 /nfs/dbraw/zinc/11/18/07/700111807.db2.gz XNLABRIVELSEPO-VIFPVBQESA-N 1 2 327.841 1.822 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000994562756 697137959 /nfs/dbraw/zinc/13/79/59/697137959.db2.gz MIWCIMKEOCSAHE-ACJLOTCBSA-N 1 2 330.432 1.375 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)on1 ZINC001031538980 697223773 /nfs/dbraw/zinc/22/37/73/697223773.db2.gz QBTFRYFZNSYEMY-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCC#CCO)CC1 ZINC000923759241 697231295 /nfs/dbraw/zinc/23/12/95/697231295.db2.gz DOGUOWYAHKEIIG-QGZVFWFLSA-N 1 2 333.407 1.600 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cnns3)C2)c(F)c1 ZINC001031561784 697252379 /nfs/dbraw/zinc/25/23/79/697252379.db2.gz BGMDHRJJCBWYPQ-UHFFFAOYSA-N 1 2 331.376 1.411 20 30 EDEDLO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031577642 697274093 /nfs/dbraw/zinc/27/40/93/697274093.db2.gz CEBOIEMNKWBDTE-HUUCEWRRSA-N 1 2 345.374 1.054 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)cc1C#N ZINC000919604582 697304331 /nfs/dbraw/zinc/30/43/31/697304331.db2.gz YJXPVLJGHSWROS-HNNXBMFYSA-N 1 2 336.461 1.613 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)cc1C#N ZINC000919604582 697304333 /nfs/dbraw/zinc/30/43/33/697304333.db2.gz YJXPVLJGHSWROS-HNNXBMFYSA-N 1 2 336.461 1.613 20 30 EDEDLO N#Cc1ccc(C(=O)NCC2C[NH+](Cc3nc4ccccc4o3)C2)[nH]1 ZINC001031619414 697337104 /nfs/dbraw/zinc/33/71/04/697337104.db2.gz WFSGXYVBLZAPRG-UHFFFAOYSA-N 1 2 335.367 1.889 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)cnn1 ZINC001031634411 697381400 /nfs/dbraw/zinc/38/14/00/697381400.db2.gz YAYHEGLCZUKQPH-UHFFFAOYSA-N 1 2 338.386 1.637 20 30 EDEDLO Cn1cnc(C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC001031647971 697404790 /nfs/dbraw/zinc/40/47/90/697404790.db2.gz DPPWXWSIYNUPJN-UHFFFAOYSA-N 1 2 343.818 1.182 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c(C)nn1 ZINC001031697570 697577766 /nfs/dbraw/zinc/57/77/66/697577766.db2.gz WPHCTTCAPGKOBS-UHFFFAOYSA-N 1 2 335.411 1.827 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cnn4c3CCC4)C2)s1 ZINC001031717068 697748158 /nfs/dbraw/zinc/74/81/58/697748158.db2.gz BEKMKYOVHXBNGX-UHFFFAOYSA-N 1 2 341.440 1.624 20 30 EDEDLO Cc1conc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032107945 698904391 /nfs/dbraw/zinc/90/43/91/698904391.db2.gz CXOMVOQUXZJRQQ-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cncc4[nH]ccc43)CC2)C1 ZINC000941474895 701551181 /nfs/dbraw/zinc/55/11/81/701551181.db2.gz CVDZSSJZAFFRHO-UHFFFAOYSA-N 1 2 337.427 1.028 20 30 EDEDLO C=CCOc1cccnc1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001032114676 698961499 /nfs/dbraw/zinc/96/14/99/698961499.db2.gz JAAOUPZXMQQPBD-UHFFFAOYSA-N 1 2 344.440 1.965 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000939009763 699053849 /nfs/dbraw/zinc/05/38/49/699053849.db2.gz GGXCMSCQUNSYNL-CABCVRRESA-N 1 2 344.459 1.717 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCCC3(F)F)CC2)C1 ZINC000941501916 701561473 /nfs/dbraw/zinc/56/14/73/701561473.db2.gz IFDKXAPESSFHPF-INIZCTEOSA-N 1 2 339.430 1.664 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3occc3C(C)C)CC2)C1 ZINC000941532436 701572897 /nfs/dbraw/zinc/57/28/97/701572897.db2.gz WJOBQWPYUIRHIW-UHFFFAOYSA-N 1 2 329.444 1.868 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CO[C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000941590402 701585515 /nfs/dbraw/zinc/58/55/15/701585515.db2.gz OBKSLODVWXIBNN-WMZOPIPTSA-N 1 2 333.476 1.043 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC000941582305 701589316 /nfs/dbraw/zinc/58/93/16/701589316.db2.gz LMJQQTYPKXEALC-UHFFFAOYSA-N 1 2 349.837 1.483 20 30 EDEDLO Cn1cncc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031819141 699540903 /nfs/dbraw/zinc/54/09/03/699540903.db2.gz MAHLKWWDDUIPBN-UHFFFAOYSA-N 1 2 327.363 1.293 20 30 EDEDLO Cn1cncc1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031819200 699544290 /nfs/dbraw/zinc/54/42/90/699544290.db2.gz NXWQJSXMWSTGRZ-UHFFFAOYSA-N 1 2 342.830 1.787 20 30 EDEDLO Cc1cc(C)c(C(=O)N(C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)c(C)[nH+]1 ZINC000939395942 699545882 /nfs/dbraw/zinc/54/58/82/699545882.db2.gz HMUWPPMOZUGLJD-DOMZBBRYSA-N 1 2 328.416 1.839 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)CC3CCOCC3)CC2)C1 ZINC000941620249 701603962 /nfs/dbraw/zinc/60/39/62/701603962.db2.gz DEMPPSGAXFQZCN-UHFFFAOYSA-N 1 2 347.503 1.291 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nnc(CC)o3)C2)cn1 ZINC000939567171 699709853 /nfs/dbraw/zinc/70/98/53/699709853.db2.gz HZQHTGIAHLZECT-DOMZBBRYSA-N 1 2 339.399 1.259 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001031965539 701607754 /nfs/dbraw/zinc/60/77/54/701607754.db2.gz NMMKXFQOKIARBR-UHFFFAOYSA-N 1 2 347.393 1.915 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)C1 ZINC000941661614 701608298 /nfs/dbraw/zinc/60/82/98/701608298.db2.gz CLIXKJLIGBADIJ-UHFFFAOYSA-N 1 2 339.483 1.816 20 30 EDEDLO COc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)nn1C ZINC001031834481 699754703 /nfs/dbraw/zinc/75/47/03/699754703.db2.gz JGZJLTTWBKEJTB-UHFFFAOYSA-N 1 2 338.411 1.142 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1 ZINC001031965519 701612245 /nfs/dbraw/zinc/61/22/45/701612245.db2.gz NAJRQBZZANAGGJ-UHFFFAOYSA-N 1 2 329.403 1.776 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000945439730 700291845 /nfs/dbraw/zinc/29/18/45/700291845.db2.gz SGTLIANWWFSHDP-ZIAGYGMSSA-N 1 2 332.448 1.908 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)n2)CC1(C)C ZINC000941039766 701061836 /nfs/dbraw/zinc/06/18/36/701061836.db2.gz SOVOURUDGXZBLH-OWCLPIDISA-N 1 2 347.463 1.123 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)n2)CC1(C)C ZINC000941039766 701061837 /nfs/dbraw/zinc/06/18/37/701061837.db2.gz SOVOURUDGXZBLH-OWCLPIDISA-N 1 2 347.463 1.123 20 30 EDEDLO C[C@H]1C[C@H]1C(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941292936 701451547 /nfs/dbraw/zinc/45/15/47/701451547.db2.gz RDEZUQQOKBKJFY-HNAYVOBHSA-N 1 2 338.455 1.543 20 30 EDEDLO Cc1ccc(F)c(C[NH+]2CC(N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)c1 ZINC000941348189 701482736 /nfs/dbraw/zinc/48/27/36/701482736.db2.gz IYDYWMRRSMKUPU-HNNXBMFYSA-N 1 2 344.434 1.622 20 30 EDEDLO CCc1onc(C)c1C[NH+]1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000941348365 701482914 /nfs/dbraw/zinc/48/29/14/701482914.db2.gz MJFDPDASEUPCRP-CYBMUJFWSA-N 1 2 345.447 1.034 20 30 EDEDLO COc1ncccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031948609 701518095 /nfs/dbraw/zinc/51/80/95/701518095.db2.gz HDGCNBOIEPXXGA-UHFFFAOYSA-N 1 2 342.424 1.885 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000941430739 701537707 /nfs/dbraw/zinc/53/77/07/701537707.db2.gz BWLOHDDZUFZAMQ-CQSZACIVSA-N 1 2 325.403 1.274 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]3C(F)F)CC2)C1 ZINC000941437071 701540308 /nfs/dbraw/zinc/54/03/08/701540308.db2.gz QVOPUYLQZICJCI-CABCVRRESA-N 1 2 325.403 1.129 20 30 EDEDLO C=C(Br)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032652615 706622865 /nfs/dbraw/zinc/62/28/65/706622865.db2.gz UNLYABHHTMXTAR-RYUDHWBXSA-N 1 2 325.210 1.146 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccn3C)[C@H](C)C2)cn1 ZINC000947948403 706628726 /nfs/dbraw/zinc/62/87/26/706628726.db2.gz NIXYSPZFDLUHPF-PBHICJAKSA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3C)[C@H](C)C2)cn1 ZINC000947948403 706628729 /nfs/dbraw/zinc/62/87/29/706628729.db2.gz NIXYSPZFDLUHPF-PBHICJAKSA-N 1 2 337.427 1.579 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N([C@@H](C)CCC)C2)C1 ZINC001032205054 702042996 /nfs/dbraw/zinc/04/29/96/702042996.db2.gz NCWSZRXGRFOEPS-ZFWWWQNUSA-N 1 2 341.883 1.824 20 30 EDEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2-c2cnn(C)c2)[C@@H](C)C1 ZINC000944077607 702213372 /nfs/dbraw/zinc/21/33/72/702213372.db2.gz BURLWFMIQNJPFN-BBRMVZONSA-N 1 2 340.431 1.274 20 30 EDEDLO C#CCC[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2-c2cnn(C)c2)[C@@H](C)C1 ZINC000944077607 702213378 /nfs/dbraw/zinc/21/33/78/702213378.db2.gz BURLWFMIQNJPFN-BBRMVZONSA-N 1 2 340.431 1.274 20 30 EDEDLO CCc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)o1 ZINC000941968240 702229103 /nfs/dbraw/zinc/22/91/03/702229103.db2.gz VUCPZXWTZGORTD-YPMHNXCESA-N 1 2 342.403 1.472 20 30 EDEDLO CCc1nnc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)o1 ZINC000941968240 702229107 /nfs/dbraw/zinc/22/91/07/702229107.db2.gz VUCPZXWTZGORTD-YPMHNXCESA-N 1 2 342.403 1.472 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C[C@H]2C)nc1 ZINC000944193275 702488455 /nfs/dbraw/zinc/48/84/55/702488455.db2.gz UHOPTUCDHAXIHG-DOMZBBRYSA-N 1 2 338.415 1.130 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)C[C@H]2C)nc1 ZINC000944193275 702488458 /nfs/dbraw/zinc/48/84/58/702488458.db2.gz UHOPTUCDHAXIHG-DOMZBBRYSA-N 1 2 338.415 1.130 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000942357654 702861626 /nfs/dbraw/zinc/86/16/26/702861626.db2.gz GQIWJAUDQZHITK-MGPQQGTHSA-N 1 2 328.416 1.587 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000942357654 702861628 /nfs/dbraw/zinc/86/16/28/702861628.db2.gz GQIWJAUDQZHITK-MGPQQGTHSA-N 1 2 328.416 1.587 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2csnn2)[C@@H](C)C1 ZINC000942538688 703040631 /nfs/dbraw/zinc/04/06/31/703040631.db2.gz VCEOOZKRETVYFN-WCBMZHEXSA-N 1 2 345.266 1.887 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2csnn2)[C@@H](C)C1 ZINC000942538688 703040634 /nfs/dbraw/zinc/04/06/34/703040634.db2.gz VCEOOZKRETVYFN-WCBMZHEXSA-N 1 2 345.266 1.887 20 30 EDEDLO COCc1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)no1 ZINC001032031390 703083601 /nfs/dbraw/zinc/08/36/01/703083601.db2.gz DUJASTAASJPHLS-UHFFFAOYSA-N 1 2 340.383 1.554 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(COC)no3)C[C@H]2C)C1 ZINC000942602172 703118961 /nfs/dbraw/zinc/11/89/61/703118961.db2.gz FELRDANILDVZMM-KGLIPLIRSA-N 1 2 348.447 1.899 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(COC)no3)C[C@H]2C)C1 ZINC000942602172 703118962 /nfs/dbraw/zinc/11/89/62/703118962.db2.gz FELRDANILDVZMM-KGLIPLIRSA-N 1 2 348.447 1.899 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnccn2)C1 ZINC001032040828 703158976 /nfs/dbraw/zinc/15/89/76/703158976.db2.gz WAZGMGOCLKZGHR-ZVZYQTTQSA-N 1 2 344.459 1.957 20 30 EDEDLO C[C@@](O)(CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1)C1CC1 ZINC001032363346 703233782 /nfs/dbraw/zinc/23/37/82/703233782.db2.gz HYULZUXWLYVLLF-IRFCIJBXSA-N 1 2 338.451 1.874 20 30 EDEDLO C[C@@](O)(CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1)C1CC1 ZINC001032363346 703233784 /nfs/dbraw/zinc/23/37/84/703233784.db2.gz HYULZUXWLYVLLF-IRFCIJBXSA-N 1 2 338.451 1.874 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032410010 703439276 /nfs/dbraw/zinc/43/92/76/703439276.db2.gz LLTUJSRCWMFOEN-DIECFANBSA-N 1 2 330.432 1.186 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)cc1 ZINC000997336575 703579679 /nfs/dbraw/zinc/57/96/79/703579679.db2.gz FMZKPMPUUPIMIL-UHFFFAOYSA-N 1 2 344.374 1.799 20 30 EDEDLO CCCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)n1 ZINC000995584127 704060335 /nfs/dbraw/zinc/06/03/35/704060335.db2.gz SIIPWGYQNNXXAA-CHWSQXEVSA-N 1 2 333.436 1.898 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](N(C)C(=O)C3(C)CC3)C2)c1 ZINC001033097630 704191622 /nfs/dbraw/zinc/19/16/22/704191622.db2.gz BKDYOWBBWMATKZ-QGZVFWFLSA-N 1 2 339.439 1.939 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](N(C)C(=O)C3(C)CC3)C2)c1 ZINC001033097630 704191625 /nfs/dbraw/zinc/19/16/25/704191625.db2.gz BKDYOWBBWMATKZ-QGZVFWFLSA-N 1 2 339.439 1.939 20 30 EDEDLO C[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)c1ccnn1C ZINC001004440648 704423348 /nfs/dbraw/zinc/42/33/48/704423348.db2.gz DYGIVRZUEAYXHN-PBHICJAKSA-N 1 2 329.448 1.750 20 30 EDEDLO C[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)c1ccnn1C ZINC001004440648 704423350 /nfs/dbraw/zinc/42/33/50/704423350.db2.gz DYGIVRZUEAYXHN-PBHICJAKSA-N 1 2 329.448 1.750 20 30 EDEDLO C=C(Br)CN1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550877 704688488 /nfs/dbraw/zinc/68/84/88/704688488.db2.gz GIBPIBUXXRKMFV-STQMWFEESA-N 1 2 339.237 1.467 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC000944984061 704879411 /nfs/dbraw/zinc/87/94/11/704879411.db2.gz YRHLSWWEUDCQOR-UHFFFAOYSA-N 1 2 344.459 1.626 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000997956632 705086699 /nfs/dbraw/zinc/08/66/99/705086699.db2.gz CXYUPICATOHODC-HNNXBMFYSA-N 1 2 342.403 1.786 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000997956632 705086705 /nfs/dbraw/zinc/08/67/05/705086705.db2.gz CXYUPICATOHODC-HNNXBMFYSA-N 1 2 342.403 1.786 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC001032588833 705147032 /nfs/dbraw/zinc/14/70/32/705147032.db2.gz ATTBNUODEWOIEK-IHRRRGAJSA-N 1 2 329.366 1.179 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC001032588833 705147035 /nfs/dbraw/zinc/14/70/35/705147035.db2.gz ATTBNUODEWOIEK-IHRRRGAJSA-N 1 2 329.366 1.179 20 30 EDEDLO N#CCN[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC000998263741 705633441 /nfs/dbraw/zinc/63/34/41/705633441.db2.gz XPXKTTYMIMHEEG-GHMZBOCLSA-N 1 2 329.326 1.235 20 30 EDEDLO CCc1noc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998848592 706276348 /nfs/dbraw/zinc/27/63/48/706276348.db2.gz HIWDIHUTJCIDAW-YPMHNXCESA-N 1 2 342.403 1.787 20 30 EDEDLO CCc1noc(C[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998976107 706406167 /nfs/dbraw/zinc/40/61/67/706406167.db2.gz PXHJMGTYOPIDPV-LBPRGKRZSA-N 1 2 328.376 1.226 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC000999080047 706499629 /nfs/dbraw/zinc/49/96/29/706499629.db2.gz YYQAWIZFMBWFEB-SQNIBIBYSA-N 1 2 348.406 1.495 20 30 EDEDLO O=C(C#CC1CC1)N1CCC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000946696677 707141967 /nfs/dbraw/zinc/14/19/67/707141967.db2.gz XVKLWYMDFUCFAZ-HNNXBMFYSA-N 1 2 340.427 1.350 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001005054268 707212376 /nfs/dbraw/zinc/21/23/76/707212376.db2.gz HIVXPJWQBFEPTB-GOEBONIOSA-N 1 2 346.475 1.918 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c(OC)ccnc2OC)C1 ZINC001033261201 707274637 /nfs/dbraw/zinc/27/46/37/707274637.db2.gz GVROAKYUAJHNPP-GFCCVEGCSA-N 1 2 339.823 1.998 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(OC)ccnc2OC)C1 ZINC001033261201 707274640 /nfs/dbraw/zinc/27/46/40/707274640.db2.gz GVROAKYUAJHNPP-GFCCVEGCSA-N 1 2 339.823 1.998 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001033196936 707412306 /nfs/dbraw/zinc/41/23/06/707412306.db2.gz XBVZEIGROWXRPG-ZDUSSCGKSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c(c2)nnn3C)C1 ZINC001033196936 707412307 /nfs/dbraw/zinc/41/23/07/707412307.db2.gz XBVZEIGROWXRPG-ZDUSSCGKSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001033362901 707652131 /nfs/dbraw/zinc/65/21/31/707652131.db2.gz NRUQROYFJZTULY-OLZOCXBDSA-N 1 2 337.855 1.205 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC001033362901 707652135 /nfs/dbraw/zinc/65/21/35/707652135.db2.gz NRUQROYFJZTULY-OLZOCXBDSA-N 1 2 337.855 1.205 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CCC(C(N)=O)CC2)C1 ZINC001033220600 707788112 /nfs/dbraw/zinc/78/81/12/707788112.db2.gz PAJQNAXIRDFUPJ-RUXDESIVSA-N 1 2 327.856 1.563 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCC(C(N)=O)CC2)C1 ZINC001033220600 707788113 /nfs/dbraw/zinc/78/81/13/707788113.db2.gz PAJQNAXIRDFUPJ-RUXDESIVSA-N 1 2 327.856 1.563 20 30 EDEDLO C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2cnn3ncccc23)CC1 ZINC001000790499 708066043 /nfs/dbraw/zinc/06/60/43/708066043.db2.gz MSZUQBLPHWBUIE-UHFFFAOYSA-N 1 2 331.807 1.844 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2cnn3ncccc23)CC1 ZINC001000790499 708066044 /nfs/dbraw/zinc/06/60/44/708066044.db2.gz MSZUQBLPHWBUIE-UHFFFAOYSA-N 1 2 331.807 1.844 20 30 EDEDLO Cc1nsc(NC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)c1C#N ZINC001061016889 708181607 /nfs/dbraw/zinc/18/16/07/708181607.db2.gz CCULZFILUBGPMQ-GFCCVEGCSA-N 1 2 344.444 1.940 20 30 EDEDLO Cc1nsc(NC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)c1C#N ZINC001061016889 708181611 /nfs/dbraw/zinc/18/16/11/708181611.db2.gz CCULZFILUBGPMQ-GFCCVEGCSA-N 1 2 344.444 1.940 20 30 EDEDLO Cc1cc(C#N)nc(NC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001061017718 708209061 /nfs/dbraw/zinc/20/90/61/708209061.db2.gz YIHYSRGRQBCFHU-ZDUSSCGKSA-N 1 2 339.403 1.273 20 30 EDEDLO Cc1cc(C#N)nc(NC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001061017718 708209066 /nfs/dbraw/zinc/20/90/66/708209066.db2.gz YIHYSRGRQBCFHU-ZDUSSCGKSA-N 1 2 339.403 1.273 20 30 EDEDLO N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC001061021775 708247986 /nfs/dbraw/zinc/24/79/86/708247986.db2.gz MSPAVSBRZUKBCH-RBSFLKMASA-N 1 2 336.399 1.740 20 30 EDEDLO N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC001061021775 708247989 /nfs/dbraw/zinc/24/79/89/708247989.db2.gz MSPAVSBRZUKBCH-RBSFLKMASA-N 1 2 336.399 1.740 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]2C)C1 ZINC001005252956 708413028 /nfs/dbraw/zinc/41/30/28/708413028.db2.gz FXOPQWWFDVDONI-UKRRQHHQSA-N 1 2 330.432 1.662 20 30 EDEDLO C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001061682773 708493604 /nfs/dbraw/zinc/49/36/04/708493604.db2.gz RNZJOACKZTZZQX-INIZCTEOSA-N 1 2 348.447 1.363 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001061040498 708494123 /nfs/dbraw/zinc/49/41/23/708494123.db2.gz CTXMBSGKCMMAOX-OAHLLOKOSA-N 1 2 343.431 1.274 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001033801703 708794981 /nfs/dbraw/zinc/79/49/81/708794981.db2.gz JFUNTHVQYPIRNU-KRWDZBQOSA-N 1 2 340.431 1.839 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001033801703 708794983 /nfs/dbraw/zinc/79/49/83/708794983.db2.gz JFUNTHVQYPIRNU-KRWDZBQOSA-N 1 2 340.431 1.839 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001005406131 708903593 /nfs/dbraw/zinc/90/35/93/708903593.db2.gz JXAWYNBEONXKBN-MSOLQXFVSA-N 1 2 346.475 1.824 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H](Nc2cncc(C#N)n2)C1 ZINC001061095995 709035317 /nfs/dbraw/zinc/03/53/17/709035317.db2.gz PIPYIXWVZSOLGQ-OLZOCXBDSA-N 1 2 339.403 1.164 20 30 EDEDLO C=C(C)CCC(=O)N1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001061099264 709078671 /nfs/dbraw/zinc/07/86/71/709078671.db2.gz JHRDYTICBVPCDA-UHFFFAOYSA-N 1 2 330.432 1.760 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001033948609 709127475 /nfs/dbraw/zinc/12/74/75/709127475.db2.gz BKWPABYWQUOREG-UONOGXRCSA-N 1 2 327.856 1.721 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001033948609 709127478 /nfs/dbraw/zinc/12/74/78/709127478.db2.gz BKWPABYWQUOREG-UONOGXRCSA-N 1 2 327.856 1.721 20 30 EDEDLO Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)o1 ZINC001002648497 709207885 /nfs/dbraw/zinc/20/78/85/709207885.db2.gz LXONOTWFZRKKCF-SNVBAGLBSA-N 1 2 328.376 1.533 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cn(CCC)nn2)C1 ZINC001034002362 709218406 /nfs/dbraw/zinc/21/84/06/709218406.db2.gz VDGKCFGMJSCJLT-CYBMUJFWSA-N 1 2 325.844 1.977 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cn(CCC)nn2)C1 ZINC001034002362 709218410 /nfs/dbraw/zinc/21/84/10/709218410.db2.gz VDGKCFGMJSCJLT-CYBMUJFWSA-N 1 2 325.844 1.977 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001034021226 709239423 /nfs/dbraw/zinc/23/94/23/709239423.db2.gz MAPMOXKZYMQJJD-RYUDHWBXSA-N 1 2 344.253 1.096 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001034021226 709239424 /nfs/dbraw/zinc/23/94/24/709239424.db2.gz MAPMOXKZYMQJJD-RYUDHWBXSA-N 1 2 344.253 1.096 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001034033396 709262899 /nfs/dbraw/zinc/26/28/99/709262899.db2.gz XNGVOYSJLIASTB-LSDHHAIUSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001034033396 709262902 /nfs/dbraw/zinc/26/29/02/709262902.db2.gz XNGVOYSJLIASTB-LSDHHAIUSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001002782418 709388053 /nfs/dbraw/zinc/38/80/53/709388053.db2.gz QPMZARJQMIDDLS-OAHLLOKOSA-N 1 2 342.443 1.376 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cnc(C)o2)CC1 ZINC001005518488 709488000 /nfs/dbraw/zinc/48/80/00/709488000.db2.gz MMOWJEOYFMNIOJ-SFHVURJKSA-N 1 2 344.459 1.503 20 30 EDEDLO CN(c1cncc(C#N)n1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001061243310 709933488 /nfs/dbraw/zinc/93/34/88/709933488.db2.gz BOELPNBJADHJQH-OAHLLOKOSA-N 1 2 339.403 1.062 20 30 EDEDLO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC001034434922 710007690 /nfs/dbraw/zinc/00/76/90/710007690.db2.gz FHGZSRRYPRFCKX-ZBFHGGJFSA-N 1 2 328.478 1.501 20 30 EDEDLO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C1 ZINC001034434922 710007692 /nfs/dbraw/zinc/00/76/92/710007692.db2.gz FHGZSRRYPRFCKX-ZBFHGGJFSA-N 1 2 328.478 1.501 20 30 EDEDLO COc1ccc(C[NH+]2CCC(NC(=O)c3cnn[nH]3)CC2)cc1C#N ZINC001003231436 710153301 /nfs/dbraw/zinc/15/33/01/710153301.db2.gz NRKHRRMSRGVJAM-UHFFFAOYSA-N 1 2 340.387 1.079 20 30 EDEDLO Cn1ccc(=O)c(C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)c1 ZINC001003285568 710223447 /nfs/dbraw/zinc/22/34/47/710223447.db2.gz IHNYMBDBFHIUDD-UHFFFAOYSA-N 1 2 349.434 1.631 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2[nH]nnc2C)CC1 ZINC001003416556 710331684 /nfs/dbraw/zinc/33/16/84/710331684.db2.gz UPZPNPCVEIBOCO-UHFFFAOYSA-N 1 2 328.214 1.216 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC001003650733 710468615 /nfs/dbraw/zinc/46/86/15/710468615.db2.gz YYVAQDSZPZWMAD-CVEARBPZSA-N 1 2 333.432 1.963 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001003763175 710541277 /nfs/dbraw/zinc/54/12/77/710541277.db2.gz MIZPUJSSMKKSPS-WMZOPIPTSA-N 1 2 344.459 1.929 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](N(C)C(=O)C3CC3)C2)c1 ZINC001032855235 710543916 /nfs/dbraw/zinc/54/39/16/710543916.db2.gz DLMRGGIUWXUKBZ-KRWDZBQOSA-N 1 2 325.412 1.549 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](N(C)C(=O)C3CC3)C2)c1 ZINC001032855235 710543918 /nfs/dbraw/zinc/54/39/18/710543918.db2.gz DLMRGGIUWXUKBZ-KRWDZBQOSA-N 1 2 325.412 1.549 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C2=COCCO2)C1 ZINC001032877537 710581981 /nfs/dbraw/zinc/58/19/81/710581981.db2.gz XOGAVUZQBVKYEM-NSHDSACASA-N 1 2 331.210 1.316 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C2=COCCO2)C1 ZINC001032877537 710581982 /nfs/dbraw/zinc/58/19/82/710581982.db2.gz XOGAVUZQBVKYEM-NSHDSACASA-N 1 2 331.210 1.316 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc(C3CC3)cn2)CC1 ZINC001004471620 711847908 /nfs/dbraw/zinc/84/79/08/711847908.db2.gz BMQFWBBZCAGXJI-SFHVURJKSA-N 1 2 341.459 1.987 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc(C3CC3)cn2)CC1 ZINC001004471620 711847910 /nfs/dbraw/zinc/84/79/10/711847910.db2.gz BMQFWBBZCAGXJI-SFHVURJKSA-N 1 2 341.459 1.987 20 30 EDEDLO CC(C)N1C(=O)CC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004519302 711933394 /nfs/dbraw/zinc/93/33/94/711933394.db2.gz BVORFPOMQIUKER-SJORKVTESA-N 1 2 346.475 1.612 20 30 EDEDLO CC(C)N1C(=O)CC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004519302 711933398 /nfs/dbraw/zinc/93/33/98/711933398.db2.gz BVORFPOMQIUKER-SJORKVTESA-N 1 2 346.475 1.612 20 30 EDEDLO Cn1c(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)cccc1=O ZINC001004542693 711953552 /nfs/dbraw/zinc/95/35/52/711953552.db2.gz NBHQALRYRNIGBY-HNNXBMFYSA-N 1 2 328.416 1.225 20 30 EDEDLO Cn1c(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)cccc1=O ZINC001004542693 711953553 /nfs/dbraw/zinc/95/35/53/711953553.db2.gz NBHQALRYRNIGBY-HNNXBMFYSA-N 1 2 328.416 1.225 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](CC(N)=O)CC(C)C)cc1C ZINC000175083964 231381752 /nfs/dbraw/zinc/38/17/52/231381752.db2.gz RMXLAYZVRCUGPP-UHFFFAOYSA-N 1 2 344.459 1.993 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](CC(N)=O)CC(C)C)cc1C ZINC000175083964 231381753 /nfs/dbraw/zinc/38/17/53/231381753.db2.gz RMXLAYZVRCUGPP-UHFFFAOYSA-N 1 2 344.459 1.993 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000049451092 214007909 /nfs/dbraw/zinc/00/79/09/214007909.db2.gz KYANKDZTYKPACP-UHFFFAOYSA-N 1 2 337.217 1.936 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)c1nnc3n1CCC3)CCC2 ZINC000328704979 539354574 /nfs/dbraw/zinc/35/45/74/539354574.db2.gz KWLZSDIGHAXDRP-OLZOCXBDSA-N 1 2 343.435 1.871 20 30 EDEDLO C[C@@H](C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)n1cccn1 ZINC000328946986 539378473 /nfs/dbraw/zinc/37/84/73/539378473.db2.gz VPORYJXOXDVSAI-AWEZNQCLSA-N 1 2 333.436 1.345 20 30 EDEDLO C[C@H](CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)[NH+]1CCOCC1 ZINC000328956156 539379060 /nfs/dbraw/zinc/37/90/60/539379060.db2.gz OZOSBQOSUKVBEV-IIAWOOMASA-N 1 2 336.436 1.565 20 30 EDEDLO O=C(CC1CCCCC1)NCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000329570171 539444261 /nfs/dbraw/zinc/44/42/61/539444261.db2.gz ULKXERQVOCSWBZ-UHFFFAOYSA-N 1 2 347.463 1.981 20 30 EDEDLO COCC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCCCC1 ZINC000329727313 539460512 /nfs/dbraw/zinc/46/05/12/539460512.db2.gz ORURELVCRAMECP-CABCVRRESA-N 1 2 325.453 1.512 20 30 EDEDLO COCC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCCCC1 ZINC000329727313 539460517 /nfs/dbraw/zinc/46/05/17/539460517.db2.gz ORURELVCRAMECP-CABCVRRESA-N 1 2 325.453 1.512 20 30 EDEDLO CCC[NH+]1CCC(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000074345021 138231961 /nfs/dbraw/zinc/23/19/61/138231961.db2.gz ZKUDYWUJLLPMHX-UHFFFAOYSA-N 1 2 334.445 1.985 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CSc2ccccc2)CC1 ZINC000264085884 249331879 /nfs/dbraw/zinc/33/18/79/249331879.db2.gz JULILXFSQHKCTQ-UHFFFAOYSA-N 1 2 345.468 1.062 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CSc2ccccc2)CC1 ZINC000264085884 249331882 /nfs/dbraw/zinc/33/18/82/249331882.db2.gz JULILXFSQHKCTQ-UHFFFAOYSA-N 1 2 345.468 1.062 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@]34CCOC4=O)C2=O)cc1 ZINC000248725508 139173168 /nfs/dbraw/zinc/17/31/68/139173168.db2.gz HXAGHIHTWBSCSU-VQIMIIECSA-N 1 2 339.395 1.835 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@]34CCOC4=O)C2=O)cc1 ZINC000248725508 139173169 /nfs/dbraw/zinc/17/31/69/139173169.db2.gz HXAGHIHTWBSCSU-VQIMIIECSA-N 1 2 339.395 1.835 20 30 EDEDLO CCCc1[nH+]c2ccccc2n1CCC(=O)NCC(=O)NCC#N ZINC000344148118 250016038 /nfs/dbraw/zinc/01/60/38/250016038.db2.gz FOIMJWCKWSOFKJ-UHFFFAOYSA-N 1 2 327.388 1.135 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ncccc1OCCCC#N ZINC000341957271 250004666 /nfs/dbraw/zinc/00/46/66/250004666.db2.gz HEDHXKYKNLWAMR-CQSZACIVSA-N 1 2 347.419 1.606 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ncccc1OCCCC#N ZINC000341957271 250004668 /nfs/dbraw/zinc/00/46/68/250004668.db2.gz HEDHXKYKNLWAMR-CQSZACIVSA-N 1 2 347.419 1.606 20 30 EDEDLO C=C(C)CNC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000345804674 250035364 /nfs/dbraw/zinc/03/53/64/250035364.db2.gz JAEQIHOZTBIVAJ-CZUORRHYSA-N 1 2 331.420 1.490 20 30 EDEDLO C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCn2cc[nH+]c2C1 ZINC000350731277 250060058 /nfs/dbraw/zinc/06/00/58/250060058.db2.gz ZQMANDBSHMTPHR-UHFFFAOYSA-N 1 2 343.435 1.599 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000352006197 250069028 /nfs/dbraw/zinc/06/90/28/250069028.db2.gz HSWOXZLEJLSDAB-MYTOGIIISA-N 1 2 348.491 1.321 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000352006197 250069030 /nfs/dbraw/zinc/06/90/30/250069030.db2.gz HSWOXZLEJLSDAB-MYTOGIIISA-N 1 2 348.491 1.321 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000352239219 250075540 /nfs/dbraw/zinc/07/55/40/250075540.db2.gz TWTQWKHGMQZQPN-HUUCEWRRSA-N 1 2 347.463 1.476 20 30 EDEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000358361528 250131353 /nfs/dbraw/zinc/13/13/53/250131353.db2.gz WYBBVXYXELXJJR-RDTXWAMCSA-N 1 2 334.464 1.422 20 30 EDEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000358361528 250131358 /nfs/dbraw/zinc/13/13/58/250131358.db2.gz WYBBVXYXELXJJR-RDTXWAMCSA-N 1 2 334.464 1.422 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000359369595 250152888 /nfs/dbraw/zinc/15/28/88/250152888.db2.gz HSXYEVLKEQIVAH-ZDUSSCGKSA-N 1 2 332.448 1.646 20 30 EDEDLO CC(C)(C)n1nccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000362110890 250178019 /nfs/dbraw/zinc/17/80/19/250178019.db2.gz IHTSSNJBXILGNU-UHFFFAOYSA-N 1 2 348.451 1.718 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000362211915 250180390 /nfs/dbraw/zinc/18/03/90/250180390.db2.gz DLOJLVVERZNPJY-CRAIPNDOSA-N 1 2 340.427 1.420 20 30 EDEDLO C=C(C)CS(=O)(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000375214144 250280240 /nfs/dbraw/zinc/28/02/40/250280240.db2.gz FVOIRDYPONCSDY-IRXDYDNUSA-N 1 2 338.473 1.896 20 30 EDEDLO C=C(C)CS(=O)(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000375214144 250280244 /nfs/dbraw/zinc/28/02/44/250280244.db2.gz FVOIRDYPONCSDY-IRXDYDNUSA-N 1 2 338.473 1.896 20 30 EDEDLO COC(=O)[C@@H](O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000441248634 269703231 /nfs/dbraw/zinc/70/32/31/269703231.db2.gz WBTGWZKEXRTEQV-LRDDRELGSA-N 1 2 345.399 1.131 20 30 EDEDLO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c(C#N)cn1 ZINC000425227529 252302677 /nfs/dbraw/zinc/30/26/77/252302677.db2.gz OZNOLFCPIFGFQU-HNNXBMFYSA-N 1 2 341.459 1.831 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C#N ZINC000488450633 255044009 /nfs/dbraw/zinc/04/40/09/255044009.db2.gz QPXUPVDDEIAJOV-BXUZGUMPSA-N 1 2 346.456 1.937 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C#N ZINC000488450633 255044011 /nfs/dbraw/zinc/04/40/11/255044011.db2.gz QPXUPVDDEIAJOV-BXUZGUMPSA-N 1 2 346.456 1.937 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000490691140 255100485 /nfs/dbraw/zinc/10/04/85/255100485.db2.gz UWJSXHMLSTXSLX-AWEZNQCLSA-N 1 2 347.846 1.165 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(C)[C@@H](C)c2c(F)cccc2F)CC1 ZINC000490761839 255105967 /nfs/dbraw/zinc/10/59/67/255105967.db2.gz XJLRLTSQYGVZOR-AWEZNQCLSA-N 1 2 335.398 1.735 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(C)=O)c(Cl)c2)CC1 ZINC000490933074 255110307 /nfs/dbraw/zinc/11/03/07/255110307.db2.gz CSYCQZDZAYATFO-UHFFFAOYSA-N 1 2 333.819 1.732 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC000491774165 255147131 /nfs/dbraw/zinc/14/71/31/255147131.db2.gz WVCSPIJQESSUDE-OAHLLOKOSA-N 1 2 329.404 1.339 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(C)(C)C ZINC000491812764 255149095 /nfs/dbraw/zinc/14/90/95/255149095.db2.gz GCUYKZSUVIXZMQ-RHSMWYFYSA-N 1 2 339.505 1.541 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000491816833 255149483 /nfs/dbraw/zinc/14/94/83/255149483.db2.gz XQARUULROIFAKP-HNNXBMFYSA-N 1 2 342.443 1.836 20 30 EDEDLO C#CCOc1cccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000264496225 533192641 /nfs/dbraw/zinc/19/26/41/533192641.db2.gz BUYXMNZXWRYNMF-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO C#CCOc1cccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000264496225 533192649 /nfs/dbraw/zinc/19/26/49/533192649.db2.gz BUYXMNZXWRYNMF-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO COCC[N@H+](CC(=O)NCC#N)Cc1ccc(Br)s1 ZINC000494246215 255243292 /nfs/dbraw/zinc/24/32/92/255243292.db2.gz ZCMVVASYAMPGPZ-UHFFFAOYSA-N 1 2 346.250 1.599 20 30 EDEDLO COCC[N@@H+](CC(=O)NCC#N)Cc1ccc(Br)s1 ZINC000494246215 255243293 /nfs/dbraw/zinc/24/32/93/255243293.db2.gz ZCMVVASYAMPGPZ-UHFFFAOYSA-N 1 2 346.250 1.599 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCC[C@H]2COC(=O)N2CCCC2)CCC1 ZINC000495686998 255315652 /nfs/dbraw/zinc/31/56/52/255315652.db2.gz JFDQPVQMYWYFNF-HNNXBMFYSA-N 1 2 348.447 1.636 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCC[C@H]2COC(=O)N2CCCC2)CCC1 ZINC000495686998 255315653 /nfs/dbraw/zinc/31/56/53/255315653.db2.gz JFDQPVQMYWYFNF-HNNXBMFYSA-N 1 2 348.447 1.636 20 30 EDEDLO C=CCN(C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495979014 255336564 /nfs/dbraw/zinc/33/65/64/255336564.db2.gz LISRJQYSZYAWAA-CYBMUJFWSA-N 1 2 326.441 1.365 20 30 EDEDLO C=CCN(C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495979014 255336565 /nfs/dbraw/zinc/33/65/65/255336565.db2.gz LISRJQYSZYAWAA-CYBMUJFWSA-N 1 2 326.441 1.365 20 30 EDEDLO C[C@H](CC#N)[N@H+](C)CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000129615710 533603222 /nfs/dbraw/zinc/60/32/22/533603222.db2.gz NKEHAEJNWZWISW-CYBMUJFWSA-N 1 2 325.434 1.550 20 30 EDEDLO C[C@H](CC#N)[N@@H+](C)CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000129615710 533603230 /nfs/dbraw/zinc/60/32/30/533603230.db2.gz NKEHAEJNWZWISW-CYBMUJFWSA-N 1 2 325.434 1.550 20 30 EDEDLO Cc1cccc(S(=O)(=O)NCC[NH+]2CCSCC2)c1C#N ZINC000269645431 139965343 /nfs/dbraw/zinc/96/53/43/139965343.db2.gz GACMXVRJSWSTCT-UHFFFAOYSA-N 1 2 325.459 1.194 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CC(C)(C(N)=O)C1 ZINC000571996435 306578963 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286192139 /nfs/dbraw/zinc/19/21/39/286192139.db2.gz WPHLNBYELMSPMX-DZGCQCFKSA-N 1 2 349.456 1.814 20 30 EDEDLO CN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000370025589 155286917 /nfs/dbraw/zinc/28/69/17/155286917.db2.gz FOVAAXBNOBPKPG-MSOLQXFVSA-N 1 2 347.484 1.891 20 30 EDEDLO CN1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000370025589 155286919 /nfs/dbraw/zinc/28/69/19/155286919.db2.gz FOVAAXBNOBPKPG-MSOLQXFVSA-N 1 2 347.484 1.891 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000360500131 152070459 /nfs/dbraw/zinc/07/04/59/152070459.db2.gz KALAICJTEZPTEJ-AWEZNQCLSA-N 1 2 331.416 1.553 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000360500131 152070464 /nfs/dbraw/zinc/07/04/64/152070464.db2.gz KALAICJTEZPTEJ-AWEZNQCLSA-N 1 2 331.416 1.553 20 30 EDEDLO CC(C)N1C(=O)N[C@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)C1=O ZINC000364032501 153127259 /nfs/dbraw/zinc/12/72/59/153127259.db2.gz IWRRUVCLUWZWCA-KRWDZBQOSA-N 1 2 330.363 1.602 20 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/nfs/dbraw/zinc/00/85/11/157008511.db2.gz NSIXUATZYIPZBN-DNVCBOLYSA-N 1 2 343.427 1.444 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000373797326 157008514 /nfs/dbraw/zinc/00/85/14/157008514.db2.gz NSIXUATZYIPZBN-DNVCBOLYSA-N 1 2 343.427 1.444 20 30 EDEDLO N#Cc1cccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)c1 ZINC000378156681 158095068 /nfs/dbraw/zinc/09/50/68/158095068.db2.gz CLCKAWBLFOKVPY-SFHVURJKSA-N 1 2 329.400 1.169 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1C#N ZINC000408357074 158339939 /nfs/dbraw/zinc/33/99/39/158339939.db2.gz IUKHHCZBFJMPJB-UHFFFAOYSA-N 1 2 331.401 1.484 20 30 EDEDLO C[C@@H](NS(=O)(=O)CCCCC#N)C1([NH+]2CCOCC2)CCCC1 ZINC000355787105 287043266 /nfs/dbraw/zinc/04/32/66/287043266.db2.gz CVPUTSSLEWMIMC-OAHLLOKOSA-N 1 2 343.493 1.633 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425211779 270012479 /nfs/dbraw/zinc/01/24/79/270012479.db2.gz UYXVDSNGNVEHAD-AWEZNQCLSA-N 1 2 341.459 1.479 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN(C3CC3)[C@H]3CCS(=O)(=O)C3)n2c1 ZINC000507308198 270015045 /nfs/dbraw/zinc/01/50/45/270015045.db2.gz BTBMBDFWUIIREM-AWEZNQCLSA-N 1 2 330.413 1.357 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000301151009 266359488 /nfs/dbraw/zinc/35/94/88/266359488.db2.gz KEZBUIYTDIQTAP-CQSZACIVSA-N 1 2 340.431 1.243 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000285808094 267142413 /nfs/dbraw/zinc/14/24/13/267142413.db2.gz GGIOSFTWLWYLEY-INMHGKMJSA-N 1 2 342.443 1.680 20 30 EDEDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428950787 267284482 /nfs/dbraw/zinc/28/44/82/267284482.db2.gz CVJJZNXGIOSZNQ-UHFFFAOYSA-N 1 2 340.424 1.011 20 30 EDEDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428950787 267284484 /nfs/dbraw/zinc/28/44/84/267284484.db2.gz CVJJZNXGIOSZNQ-UHFFFAOYSA-N 1 2 340.424 1.011 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(C#N)cc2)C1 ZINC000412377935 267362945 /nfs/dbraw/zinc/36/29/45/267362945.db2.gz ZGMPAVGASCNWPU-INIZCTEOSA-N 1 2 329.400 1.102 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(C#N)cc2)C1 ZINC000412377935 267362946 /nfs/dbraw/zinc/36/29/46/267362946.db2.gz ZGMPAVGASCNWPU-INIZCTEOSA-N 1 2 329.400 1.102 20 30 EDEDLO COc1ccc2c(c1)nc(C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)n2C ZINC000471869734 267649480 /nfs/dbraw/zinc/64/94/80/267649480.db2.gz IHUNFKOFECCDLD-SFHVURJKSA-N 1 2 349.394 1.770 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000448646539 268113166 /nfs/dbraw/zinc/11/31/66/268113166.db2.gz CIFGAZDDWSADFT-GOSISDBHSA-N 1 2 338.411 1.700 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3nccs3)C2)nc1 ZINC000292214500 268184953 /nfs/dbraw/zinc/18/49/53/268184953.db2.gz OOFOBZHFBPGYAB-LBPRGKRZSA-N 1 2 329.385 1.502 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3nccs3)C2)nc1 ZINC000292214500 268184955 /nfs/dbraw/zinc/18/49/55/268184955.db2.gz OOFOBZHFBPGYAB-LBPRGKRZSA-N 1 2 329.385 1.502 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c(Br)c1 ZINC000412110069 268223131 /nfs/dbraw/zinc/22/31/31/268223131.db2.gz UPUZDQPKMYLDSX-OCCSQVGLSA-N 1 2 325.206 1.496 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnn4ncccc34)CC2)cc1 ZINC000434035515 268221137 /nfs/dbraw/zinc/22/11/37/268221137.db2.gz INLZTPMWQZTMDZ-UHFFFAOYSA-N 1 2 346.394 1.559 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c(Br)c1 ZINC000412110069 268223129 /nfs/dbraw/zinc/22/31/29/268223129.db2.gz UPUZDQPKMYLDSX-OCCSQVGLSA-N 1 2 325.206 1.496 20 30 EDEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(c3n[nH]c(=O)o3)CC2)c1 ZINC000295321245 268264809 /nfs/dbraw/zinc/26/48/09/268264809.db2.gz LRZBGCCZOULVBV-UHFFFAOYSA-N 1 2 327.344 1.053 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000459368233 268290177 /nfs/dbraw/zinc/29/01/77/268290177.db2.gz ZLBKLAVTWZKMAL-HNNXBMFYSA-N 1 2 330.388 1.763 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000459368233 268290179 /nfs/dbraw/zinc/29/01/79/268290179.db2.gz ZLBKLAVTWZKMAL-HNNXBMFYSA-N 1 2 330.388 1.763 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000459368233 268290184 /nfs/dbraw/zinc/29/01/84/268290184.db2.gz ZLBKLAVTWZKMAL-HNNXBMFYSA-N 1 2 330.388 1.763 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000528452722 268301854 /nfs/dbraw/zinc/30/18/54/268301854.db2.gz MRGXOVVTWQZAJJ-IKGGRYGDSA-N 1 2 344.411 1.368 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000528452722 268301855 /nfs/dbraw/zinc/30/18/55/268301855.db2.gz MRGXOVVTWQZAJJ-IKGGRYGDSA-N 1 2 344.411 1.368 20 30 EDEDLO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1C#N ZINC000278095796 268613770 /nfs/dbraw/zinc/61/37/70/268613770.db2.gz VZVFHIANNVRSOT-MRXNPFEDSA-N 1 2 349.456 1.352 20 30 EDEDLO COC(=O)C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000028708903 277313691 /nfs/dbraw/zinc/31/36/91/277313691.db2.gz ACMYOIMHSFYMQD-INIZCTEOSA-N 1 2 327.384 1.549 20 30 EDEDLO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000420993499 278180347 /nfs/dbraw/zinc/18/03/47/278180347.db2.gz ZAYULZFVWKFBCF-ZBFHGGJFSA-N 1 2 328.416 1.532 20 30 EDEDLO CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000420993499 278180349 /nfs/dbraw/zinc/18/03/49/278180349.db2.gz ZAYULZFVWKFBCF-ZBFHGGJFSA-N 1 2 328.416 1.532 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H](C)[N@H+]1CCO ZINC000451886728 288227808 /nfs/dbraw/zinc/22/78/08/288227808.db2.gz DMBHDMNDISRMFO-GASCZTMLSA-N 1 2 343.493 1.177 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H](C)[N@@H+]1CCO ZINC000451886728 288227810 /nfs/dbraw/zinc/22/78/10/288227810.db2.gz DMBHDMNDISRMFO-GASCZTMLSA-N 1 2 343.493 1.177 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000088212386 289264231 /nfs/dbraw/zinc/26/42/31/289264231.db2.gz GHJNYNHTFHRIKR-MRXNPFEDSA-N 1 2 346.475 1.616 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000360298233 294942864 /nfs/dbraw/zinc/94/28/64/294942864.db2.gz KPAMCIAYNBZGNF-INIZCTEOSA-N 1 2 326.400 1.075 20 30 EDEDLO CCc1nnc([C@H]2CN(Cc3c[nH+]c4ccc(C#N)cn34)CCO2)o1 ZINC000448279203 447308516 /nfs/dbraw/zinc/30/85/16/447308516.db2.gz RXFZUGMABHZPLJ-CQSZACIVSA-N 1 2 338.371 1.725 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000123351244 303206989 /nfs/dbraw/zinc/20/69/89/303206989.db2.gz OORHFAPFFOGXNN-INIZCTEOSA-N 1 2 349.456 1.434 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnc2[nH]ccc2c1 ZINC000449816792 447395705 /nfs/dbraw/zinc/39/57/05/447395705.db2.gz APJQLZPVTBYCSQ-UHFFFAOYSA-N 1 2 327.388 1.203 20 30 EDEDLO COCc1ccccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000080168387 441146821 /nfs/dbraw/zinc/14/68/21/441146821.db2.gz SKMWCJDXPHRBEE-UHFFFAOYSA-N 1 2 346.431 1.913 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)c2ccccc2C1 ZINC000103497915 441183281 /nfs/dbraw/zinc/18/32/81/441183281.db2.gz FUEKFJFZYCDNTF-UHFFFAOYSA-N 1 2 328.397 1.594 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)c2ccccc2C1 ZINC000103497915 441183283 /nfs/dbraw/zinc/18/32/83/441183283.db2.gz FUEKFJFZYCDNTF-UHFFFAOYSA-N 1 2 328.397 1.594 20 30 EDEDLO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000080198189 441149342 /nfs/dbraw/zinc/14/93/42/441149342.db2.gz GPNTVYSEZPYPSF-UHFFFAOYSA-N 1 2 348.406 1.841 20 30 EDEDLO CCOC(=O)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)o1 ZINC000080297738 441159741 /nfs/dbraw/zinc/15/97/41/441159741.db2.gz GUUQHRJCJCTMIF-OAHLLOKOSA-N 1 2 327.340 1.644 20 30 EDEDLO N#CCCN(CCC(=O)Nc1ccccc1)CC[NH+]1CCOCC1 ZINC000081158251 441237034 /nfs/dbraw/zinc/23/70/34/441237034.db2.gz HSUPQRFVIOTVSJ-UHFFFAOYSA-N 1 2 330.432 1.563 20 30 EDEDLO N#CCC[N@@H+](CCC(=O)Nc1ccccc1)CCN1CCOCC1 ZINC000081158251 441237038 /nfs/dbraw/zinc/23/70/38/441237038.db2.gz HSUPQRFVIOTVSJ-UHFFFAOYSA-N 1 2 330.432 1.563 20 30 EDEDLO N#CCC[N@H+](CCC(=O)Nc1ccccc1)CCN1CCOCC1 ZINC000081158251 441237040 /nfs/dbraw/zinc/23/70/40/441237040.db2.gz HSUPQRFVIOTVSJ-UHFFFAOYSA-N 1 2 330.432 1.563 20 30 EDEDLO N#Cc1ccccc1CSCCNC(=O)NCC[NH+]1CCOCC1 ZINC000047617804 441210354 /nfs/dbraw/zinc/21/03/54/441210354.db2.gz LQQSAKIQTKAQKI-UHFFFAOYSA-N 1 2 348.472 1.423 20 30 EDEDLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108369 441294511 /nfs/dbraw/zinc/29/45/11/441294511.db2.gz VICVLRHBRRKBDN-HNNXBMFYSA-N 1 2 341.459 1.913 20 30 EDEDLO Cc1c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000060633971 441254503 /nfs/dbraw/zinc/25/45/03/441254503.db2.gz UYJSRKBCBCSPJO-UHFFFAOYSA-N 1 2 346.387 1.591 20 30 EDEDLO CCCCNC(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000022845769 441286927 /nfs/dbraw/zinc/28/69/27/441286927.db2.gz SYBDZMVVDQJTMJ-UHFFFAOYSA-N 1 2 332.423 1.731 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c(F)c1 ZINC000073514720 441322181 /nfs/dbraw/zinc/32/21/81/441322181.db2.gz HDHARSFZUIYKLK-CQSZACIVSA-N 1 2 327.363 1.679 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000063589817 441338560 /nfs/dbraw/zinc/33/85/60/441338560.db2.gz IWKGMPWOCSWLQY-UHFFFAOYSA-N 1 2 336.442 1.021 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000083170394 441352168 /nfs/dbraw/zinc/35/21/68/441352168.db2.gz WQOJPCQSOVWIPV-DYVFJYSZSA-N 1 2 329.400 1.750 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000083170394 441352175 /nfs/dbraw/zinc/35/21/75/441352175.db2.gz WQOJPCQSOVWIPV-DYVFJYSZSA-N 1 2 329.400 1.750 20 30 EDEDLO N#Cc1ccccc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000073803228 441356215 /nfs/dbraw/zinc/35/62/15/441356215.db2.gz YXPUURYZNCKXEO-UHFFFAOYSA-N 1 2 334.423 1.997 20 30 EDEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCC(=O)NCC(C)C)cn2)n1 ZINC000063864105 441359115 /nfs/dbraw/zinc/35/91/15/441359115.db2.gz CJGRYCNJWSBLMW-UHFFFAOYSA-N 1 2 344.419 1.293 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cnccn2)CC1 ZINC000027630707 441410072 /nfs/dbraw/zinc/41/00/72/441410072.db2.gz YUOBAACEXPRMTA-HNNXBMFYSA-N 1 2 342.447 1.330 20 30 EDEDLO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029447022 441459843 /nfs/dbraw/zinc/45/98/43/441459843.db2.gz DTOIZNOEMDZHAH-KRWDZBQOSA-N 1 2 341.459 1.866 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000088769592 441520197 /nfs/dbraw/zinc/52/01/97/441520197.db2.gz IPSCACIZZWLRMG-SNVBAGLBSA-N 1 2 331.763 1.552 20 30 EDEDLO C=CCN(CC=C)C(=O)CN1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066378127 441526100 /nfs/dbraw/zinc/52/61/00/441526100.db2.gz QRTWGMVOSXIEFW-KSZLIROESA-N 1 2 335.492 1.761 20 30 EDEDLO C=CCN(CC=C)C(=O)CN1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066378127 441526102 /nfs/dbraw/zinc/52/61/02/441526102.db2.gz QRTWGMVOSXIEFW-KSZLIROESA-N 1 2 335.492 1.761 20 30 EDEDLO N#CCCCS(=O)(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000111326207 441533813 /nfs/dbraw/zinc/53/38/13/441533813.db2.gz HXWPUMBAUAANFR-UHFFFAOYSA-N 1 2 347.444 1.085 20 30 EDEDLO COc1ccc(NC(=O)CO[NH+]=C(N)Cc2csc(C)n2)cc1 ZINC000054391081 441576102 /nfs/dbraw/zinc/57/61/02/441576102.db2.gz UHOBVRLASSQRQE-UHFFFAOYSA-N 1 2 334.401 1.930 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000076495497 441651626 /nfs/dbraw/zinc/65/16/26/441651626.db2.gz BYGPGRXNBJNUFG-CVEARBPZSA-N 1 2 340.489 1.146 20 30 EDEDLO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1OC ZINC000114854525 441690370 /nfs/dbraw/zinc/69/03/70/441690370.db2.gz NTCZHKPCXSLKHW-MRXNPFEDSA-N 1 2 346.427 1.853 20 30 EDEDLO C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1OC ZINC000114854525 441690374 /nfs/dbraw/zinc/69/03/74/441690374.db2.gz NTCZHKPCXSLKHW-MRXNPFEDSA-N 1 2 346.427 1.853 20 30 EDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173616603 441805912 /nfs/dbraw/zinc/80/59/12/441805912.db2.gz TYXNVNOJWGWNAZ-AWEZNQCLSA-N 1 2 325.372 1.709 20 30 EDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173616603 441805918 /nfs/dbraw/zinc/80/59/18/441805918.db2.gz TYXNVNOJWGWNAZ-AWEZNQCLSA-N 1 2 325.372 1.709 20 30 EDEDLO C[C@@H](C#N)C[N@H+](C)CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000143143055 441868308 /nfs/dbraw/zinc/86/83/08/441868308.db2.gz XPUWCKMVQWYXAY-ZDUSSCGKSA-N 1 2 325.434 1.407 20 30 EDEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000143143055 441868312 /nfs/dbraw/zinc/86/83/12/441868312.db2.gz XPUWCKMVQWYXAY-ZDUSSCGKSA-N 1 2 325.434 1.407 20 30 EDEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000043329632 441834591 /nfs/dbraw/zinc/83/45/91/441834591.db2.gz UUPOORCQELRKOJ-UHFFFAOYSA-N 1 2 343.431 1.622 20 30 EDEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000043329632 441834597 /nfs/dbraw/zinc/83/45/97/441834597.db2.gz UUPOORCQELRKOJ-UHFFFAOYSA-N 1 2 343.431 1.622 20 30 EDEDLO Cn1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(C(F)(F)F)n1 ZINC000159821659 441840052 /nfs/dbraw/zinc/84/00/52/441840052.db2.gz RRBMWKIRECRHIH-GFCCVEGCSA-N 1 2 337.305 1.627 20 30 EDEDLO Cc1cccc2[nH+]c(CNC(=O)NC3CCN(CC#N)CC3)cn21 ZINC000069113191 441891661 /nfs/dbraw/zinc/89/16/61/441891661.db2.gz XSQSOQFUELRHEC-UHFFFAOYSA-N 1 2 326.404 1.430 20 30 EDEDLO C[C@H](O)C(=O)N1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000093706824 441893372 /nfs/dbraw/zinc/89/33/72/441893372.db2.gz DFQCBCBTBUWRMW-HNNXBMFYSA-N 1 2 330.432 1.061 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1 ZINC000119462725 441936883 /nfs/dbraw/zinc/93/68/83/441936883.db2.gz RBRWPSJJXZOVAD-UHFFFAOYSA-N 1 2 341.333 1.804 20 30 EDEDLO C#CCCOc1ccc(C[NH+]2CCN(CC(=O)NC(C)C)CC2)cc1 ZINC000119593060 441942146 /nfs/dbraw/zinc/94/21/46/441942146.db2.gz BVNBPZWVKMMLFB-UHFFFAOYSA-N 1 2 343.471 1.731 20 30 EDEDLO C#CCCOc1ccc(CN2CC[NH+](CC(=O)NC(C)C)CC2)cc1 ZINC000119593060 441942151 /nfs/dbraw/zinc/94/21/51/441942151.db2.gz BVNBPZWVKMMLFB-UHFFFAOYSA-N 1 2 343.471 1.731 20 30 EDEDLO CCn1nc2c(cc1=O)C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000078617588 441952750 /nfs/dbraw/zinc/95/27/50/441952750.db2.gz ZUSXSRDSEMYFAQ-UGSOOPFHSA-N 1 2 345.447 1.064 20 30 EDEDLO CCn1nc2c(cc1=O)C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000078617588 441952755 /nfs/dbraw/zinc/95/27/55/441952755.db2.gz ZUSXSRDSEMYFAQ-UGSOOPFHSA-N 1 2 345.447 1.064 20 30 EDEDLO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000125949630 442063640 /nfs/dbraw/zinc/06/36/40/442063640.db2.gz SPBOEUWUGWQZLB-LSDHHAIUSA-N 1 2 330.494 1.699 20 30 EDEDLO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000125949630 442063645 /nfs/dbraw/zinc/06/36/45/442063645.db2.gz SPBOEUWUGWQZLB-LSDHHAIUSA-N 1 2 330.494 1.699 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000126082225 442076625 /nfs/dbraw/zinc/07/66/25/442076625.db2.gz WTDGWCKTTLWJBM-AWEZNQCLSA-N 1 2 331.391 1.112 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000126082225 442076632 /nfs/dbraw/zinc/07/66/32/442076632.db2.gz WTDGWCKTTLWJBM-AWEZNQCLSA-N 1 2 331.391 1.112 20 30 EDEDLO C[C@H](Oc1cccc(F)c1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000162508127 442099209 /nfs/dbraw/zinc/09/92/09/442099209.db2.gz JGVGYYHLQMVIIE-HNNXBMFYSA-N 1 2 349.406 1.667 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121363422 442208051 /nfs/dbraw/zinc/20/80/51/442208051.db2.gz ZPBVBSJPXSIFBT-KBXCAEBGSA-N 1 2 331.416 1.634 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121363422 442208053 /nfs/dbraw/zinc/20/80/53/442208053.db2.gz ZPBVBSJPXSIFBT-KBXCAEBGSA-N 1 2 331.416 1.634 20 30 EDEDLO COC(=O)[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C(C)(C)C ZINC000127589975 442214012 /nfs/dbraw/zinc/21/40/12/442214012.db2.gz BFRLPJJZVSXSBF-GDBMZVCRSA-N 1 2 334.416 1.670 20 30 EDEDLO C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000170935633 442292056 /nfs/dbraw/zinc/29/20/56/442292056.db2.gz SYVTUVKAONNTDN-OLZOCXBDSA-N 1 2 334.395 1.606 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000170747231 442256857 /nfs/dbraw/zinc/25/68/57/442256857.db2.gz JIJDRYJHYWMDPH-UHFFFAOYSA-N 1 2 326.356 1.314 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000177271636 442323327 /nfs/dbraw/zinc/32/33/27/442323327.db2.gz UEOOJVUKBGSULF-VKJFTORMSA-N 1 2 342.443 1.538 20 30 EDEDLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000171401453 442345654 /nfs/dbraw/zinc/34/56/54/442345654.db2.gz KJKBHHBTNAODPQ-INIZCTEOSA-N 1 2 328.416 1.534 20 30 EDEDLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000171401453 442345655 /nfs/dbraw/zinc/34/56/55/442345655.db2.gz KJKBHHBTNAODPQ-INIZCTEOSA-N 1 2 328.416 1.534 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)S1 ZINC000177219460 442315267 /nfs/dbraw/zinc/31/52/67/442315267.db2.gz ZZVBTFCTESADGW-CYBMUJFWSA-N 1 2 343.456 1.606 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNc1ncc(Br)cc1C#N ZINC000450310714 447448637 /nfs/dbraw/zinc/44/86/37/447448637.db2.gz BHDMKKPJZOTDQK-SNVBAGLBSA-N 1 2 325.210 1.848 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNc1ncc(Br)cc1C#N ZINC000450310714 447448641 /nfs/dbraw/zinc/44/86/41/447448641.db2.gz BHDMKKPJZOTDQK-SNVBAGLBSA-N 1 2 325.210 1.848 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155925791 442436910 /nfs/dbraw/zinc/43/69/10/442436910.db2.gz PKRHJJAKNAEMIJ-UKRRQHHQSA-N 1 2 348.413 1.999 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155925791 442436914 /nfs/dbraw/zinc/43/69/14/442436914.db2.gz PKRHJJAKNAEMIJ-UKRRQHHQSA-N 1 2 348.413 1.999 20 30 EDEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000156602058 442500292 /nfs/dbraw/zinc/50/02/92/442500292.db2.gz ARGKBCVIHZWOIP-LBPRGKRZSA-N 1 2 330.417 1.914 20 30 EDEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000156602058 442500293 /nfs/dbraw/zinc/50/02/93/442500293.db2.gz ARGKBCVIHZWOIP-LBPRGKRZSA-N 1 2 330.417 1.914 20 30 EDEDLO CCOC(=O)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)o1 ZINC000156423939 442479988 /nfs/dbraw/zinc/47/99/88/442479988.db2.gz YXZJGNHHTBUAMA-UHFFFAOYSA-N 1 2 335.404 1.504 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000156734685 442513883 /nfs/dbraw/zinc/51/38/83/442513883.db2.gz FIYYWWBWXFZTLL-WBVHZDCISA-N 1 2 329.400 1.573 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000156734685 442513886 /nfs/dbraw/zinc/51/38/86/442513886.db2.gz FIYYWWBWXFZTLL-WBVHZDCISA-N 1 2 329.400 1.573 20 30 EDEDLO CN(C)C(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)[nH]1 ZINC000179986254 442526337 /nfs/dbraw/zinc/52/63/37/442526337.db2.gz IVFATFREPOVPRR-UHFFFAOYSA-N 1 2 338.415 1.305 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC1(C#N)CC1)c1cccc(F)c1 ZINC000180395116 442593236 /nfs/dbraw/zinc/59/32/36/442593236.db2.gz DGODUKCTDSAEJF-CQSZACIVSA-N 1 2 348.403 1.872 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2nc(C)cc(C(C)C)n2)CC1 ZINC000186876166 442624610 /nfs/dbraw/zinc/62/46/10/442624610.db2.gz ADNWPSDGPRPIQT-HNNXBMFYSA-N 1 2 331.464 1.721 20 30 EDEDLO C[C@]1(C(N)=O)CCCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192783667 442685726 /nfs/dbraw/zinc/68/57/26/442685726.db2.gz JYTWUPXYCTWIJW-VQIMIIECSA-N 1 2 340.427 1.784 20 30 EDEDLO C[C@]1(C(N)=O)CCCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192783667 442685728 /nfs/dbraw/zinc/68/57/28/442685728.db2.gz JYTWUPXYCTWIJW-VQIMIIECSA-N 1 2 340.427 1.784 20 30 EDEDLO N#Cc1cccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000192957366 442701099 /nfs/dbraw/zinc/70/10/99/442701099.db2.gz RLOKEFONKDOXEB-UHFFFAOYSA-N 1 2 349.394 1.808 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000246452617 442783264 /nfs/dbraw/zinc/78/32/64/442783264.db2.gz FMOHHOMTXUAIRZ-HOCLYGCPSA-N 1 2 341.415 1.031 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000246452617 442783268 /nfs/dbraw/zinc/78/32/68/442783268.db2.gz FMOHHOMTXUAIRZ-HOCLYGCPSA-N 1 2 341.415 1.031 20 30 EDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000188780773 442812353 /nfs/dbraw/zinc/81/23/53/442812353.db2.gz ZLIPKAZRSWVBPG-DLBZAZTESA-N 1 2 331.416 1.535 20 30 EDEDLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000188780773 442812355 /nfs/dbraw/zinc/81/23/55/442812355.db2.gz ZLIPKAZRSWVBPG-DLBZAZTESA-N 1 2 331.416 1.535 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCN(C)C2=O)cc1C ZINC000265651468 442863772 /nfs/dbraw/zinc/86/37/72/442863772.db2.gz OGRICTKHABEYJL-KRWDZBQOSA-N 1 2 342.443 1.713 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCN(C)C2=O)cc1C ZINC000265651468 442863774 /nfs/dbraw/zinc/86/37/74/442863774.db2.gz OGRICTKHABEYJL-KRWDZBQOSA-N 1 2 342.443 1.713 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000268282049 442930655 /nfs/dbraw/zinc/93/06/55/442930655.db2.gz GHGIYUNFUYDXON-LBPRGKRZSA-N 1 2 338.481 1.055 20 30 EDEDLO CCCN1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC1=O ZINC000189431043 442951756 /nfs/dbraw/zinc/95/17/56/442951756.db2.gz ZCNHYQVISPHKCL-UHFFFAOYSA-N 1 2 334.464 1.616 20 30 EDEDLO CCCN1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC1=O ZINC000189431043 442951761 /nfs/dbraw/zinc/95/17/61/442951761.db2.gz ZCNHYQVISPHKCL-UHFFFAOYSA-N 1 2 334.464 1.616 20 30 EDEDLO N#CC1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000195327748 443010766 /nfs/dbraw/zinc/01/07/66/443010766.db2.gz XJYHVAQAQRGKCF-MRXNPFEDSA-N 1 2 338.477 1.139 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000190105194 443057820 /nfs/dbraw/zinc/05/78/20/443057820.db2.gz HEWXLNTUEHIYNL-BFKWJSRZSA-N 1 2 337.464 1.387 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000190105194 443057822 /nfs/dbraw/zinc/05/78/22/443057822.db2.gz HEWXLNTUEHIYNL-BFKWJSRZSA-N 1 2 337.464 1.387 20 30 EDEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185136240 443145790 /nfs/dbraw/zinc/14/57/90/443145790.db2.gz KUCFXOWJJXVDJN-UZJPJQLHSA-N 1 2 327.837 1.849 20 30 EDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185136240 443145792 /nfs/dbraw/zinc/14/57/92/443145792.db2.gz KUCFXOWJJXVDJN-UZJPJQLHSA-N 1 2 327.837 1.849 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1)C1CC1 ZINC000190481583 443116986 /nfs/dbraw/zinc/11/69/86/443116986.db2.gz BPSHQQNWLLXJCT-SFHVURJKSA-N 1 2 346.406 1.872 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000227308117 443123208 /nfs/dbraw/zinc/12/32/08/443123208.db2.gz YTWKVTVTNYASME-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000227308117 443123211 /nfs/dbraw/zinc/12/32/11/443123211.db2.gz YTWKVTVTNYASME-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000268977660 443164323 /nfs/dbraw/zinc/16/43/23/443164323.db2.gz PQIPNYVQEZATFC-UHFFFAOYSA-N 1 2 329.400 1.056 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000268977660 443164327 /nfs/dbraw/zinc/16/43/27/443164327.db2.gz PQIPNYVQEZATFC-UHFFFAOYSA-N 1 2 329.400 1.056 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000264119582 443249881 /nfs/dbraw/zinc/24/98/81/443249881.db2.gz FCDWNNKQYHKVSU-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000264119582 443249885 /nfs/dbraw/zinc/24/98/85/443249885.db2.gz FCDWNNKQYHKVSU-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO CCCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000246253629 443282855 /nfs/dbraw/zinc/28/28/55/443282855.db2.gz MKBPGCBDKUKZQS-CABCVRRESA-N 1 2 343.493 1.284 20 30 EDEDLO CCCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000246253629 443282859 /nfs/dbraw/zinc/28/28/59/443282859.db2.gz MKBPGCBDKUKZQS-CABCVRRESA-N 1 2 343.493 1.284 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)NC3(C#N)CCCCC3)[C@H]2C1 ZINC000246053662 443264318 /nfs/dbraw/zinc/26/43/18/443264318.db2.gz AZXQKOZLZJBLAJ-OWCLPIDISA-N 1 2 335.448 1.597 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)[C@H]2C1 ZINC000246053662 443264320 /nfs/dbraw/zinc/26/43/20/443264320.db2.gz AZXQKOZLZJBLAJ-OWCLPIDISA-N 1 2 335.448 1.597 20 30 EDEDLO CCN(C1CC[NH+](Cc2cc(C#N)ccc2F)CC1)S(C)(=O)=O ZINC000264508454 443311115 /nfs/dbraw/zinc/31/11/15/443311115.db2.gz SJJXLIBLIIMSIE-UHFFFAOYSA-N 1 2 339.436 1.943 20 30 EDEDLO C=CCNC(=O)c1ccc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)nc1 ZINC000267238252 443390054 /nfs/dbraw/zinc/39/00/54/443390054.db2.gz RKCDUBLGFHSSTJ-CYBMUJFWSA-N 1 2 345.472 1.611 20 30 EDEDLO C=CC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000271152232 443493013 /nfs/dbraw/zinc/49/30/13/443493013.db2.gz LHVODHSAPISMBF-CYBMUJFWSA-N 1 2 339.413 1.599 20 30 EDEDLO C=CC[N@H+](Cc1cc2c(c(OC)c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000271152232 443493016 /nfs/dbraw/zinc/49/30/16/443493016.db2.gz LHVODHSAPISMBF-CYBMUJFWSA-N 1 2 339.413 1.599 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H](O)CCc1ccccc1 ZINC000271099005 443490793 /nfs/dbraw/zinc/49/07/93/443490793.db2.gz WUMJRQOVBZFPAV-SFHVURJKSA-N 1 2 345.443 1.055 20 30 EDEDLO Cc1nc(CC[N@@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)no1 ZINC000267593201 443507527 /nfs/dbraw/zinc/50/75/27/443507527.db2.gz JULNSNREUNLSGZ-LBPRGKRZSA-N 1 2 331.401 1.591 20 30 EDEDLO Cc1nc(CC[N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)no1 ZINC000267593201 443507530 /nfs/dbraw/zinc/50/75/30/443507530.db2.gz JULNSNREUNLSGZ-LBPRGKRZSA-N 1 2 331.401 1.591 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000283005165 443493962 /nfs/dbraw/zinc/49/39/62/443493962.db2.gz ZGVNALYZCLITKQ-ZDUSSCGKSA-N 1 2 337.449 1.108 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2noc3ccccc32)CC1 ZINC000273627546 443583192 /nfs/dbraw/zinc/58/31/92/443583192.db2.gz PUTHSHBPCHVFRS-UHFFFAOYSA-N 1 2 333.413 1.299 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000275597325 443633338 /nfs/dbraw/zinc/63/33/38/443633338.db2.gz ICKNYDFELSEUKG-CYBMUJFWSA-N 1 2 339.359 1.362 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(c2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000275597325 443633340 /nfs/dbraw/zinc/63/33/40/443633340.db2.gz ICKNYDFELSEUKG-CYBMUJFWSA-N 1 2 339.359 1.362 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000279874835 443633457 /nfs/dbraw/zinc/63/34/57/443633457.db2.gz CIGRAPOLMZAUGQ-KRWDZBQOSA-N 1 2 333.457 1.111 20 30 EDEDLO C=CCCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000283445592 443635483 /nfs/dbraw/zinc/63/54/83/443635483.db2.gz KEQLZKTZIRCJDN-UHFFFAOYSA-N 1 2 345.443 1.217 20 30 EDEDLO C#CCCCCNC(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000275757210 443641430 /nfs/dbraw/zinc/64/14/30/443641430.db2.gz RGNYKBNCNTUPNG-CQSZACIVSA-N 1 2 330.436 1.078 20 30 EDEDLO C#CCCCCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000275757210 443641432 /nfs/dbraw/zinc/64/14/32/443641432.db2.gz RGNYKBNCNTUPNG-CQSZACIVSA-N 1 2 330.436 1.078 20 30 EDEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283641246 443679479 /nfs/dbraw/zinc/67/94/79/443679479.db2.gz SFVSTEAFEPUHPU-UHFFFAOYSA-N 1 2 326.400 1.604 20 30 EDEDLO CC(C)Cn1ncnc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292244650 443784495 /nfs/dbraw/zinc/78/44/95/443784495.db2.gz QMPDFXCJEXUGMR-HNNXBMFYSA-N 1 2 326.404 1.854 20 30 EDEDLO CC(C)Cn1ncnc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292244650 443784500 /nfs/dbraw/zinc/78/45/00/443784500.db2.gz QMPDFXCJEXUGMR-HNNXBMFYSA-N 1 2 326.404 1.854 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc2ccccc2O1 ZINC000292278856 443788654 /nfs/dbraw/zinc/78/86/54/443788654.db2.gz BNSVXFWYTZUOTG-OAHLLOKOSA-N 1 2 326.400 1.925 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc2ccccc2O1 ZINC000292278856 443788657 /nfs/dbraw/zinc/78/86/57/443788657.db2.gz BNSVXFWYTZUOTG-OAHLLOKOSA-N 1 2 326.400 1.925 20 30 EDEDLO C=CC[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000287598202 443748618 /nfs/dbraw/zinc/74/86/18/443748618.db2.gz DDBWHFCZJZLNIO-JKSUJKDBSA-N 1 2 343.876 1.919 20 30 EDEDLO C=CC[N@H+](C[C@H](O)Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000287598202 443748625 /nfs/dbraw/zinc/74/86/25/443748625.db2.gz DDBWHFCZJZLNIO-JKSUJKDBSA-N 1 2 343.876 1.919 20 30 EDEDLO N#Cc1cc(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)ccn1 ZINC000287613833 443749609 /nfs/dbraw/zinc/74/96/09/443749609.db2.gz YXMZIIUQWATNGZ-LJQANCHMSA-N 1 2 347.422 1.881 20 30 EDEDLO C#CC[C@]1(C(=O)NCc2c[nH+]cn2C)CCCN1C(=O)OC(C)(C)C ZINC000291210174 443752909 /nfs/dbraw/zinc/75/29/09/443752909.db2.gz LZEUHQJDTMOTFL-GOSISDBHSA-N 1 2 346.431 1.829 20 30 EDEDLO C=CC[N@@H+](Cc1ccc(O)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000283944054 443758568 /nfs/dbraw/zinc/75/85/68/443758568.db2.gz HUXOMXGJHPDQPF-AWEZNQCLSA-N 1 2 325.430 1.966 20 30 EDEDLO C=CC[N@H+](Cc1ccc(O)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000283944054 443758573 /nfs/dbraw/zinc/75/85/73/443758573.db2.gz HUXOMXGJHPDQPF-AWEZNQCLSA-N 1 2 325.430 1.966 20 30 EDEDLO Cc1ccc(OC(F)F)c(CO[NH+]=C(N)CN2CCOCC2)c1 ZINC000291812562 443767630 /nfs/dbraw/zinc/76/76/30/443767630.db2.gz CZGSODWLRTYSSI-UHFFFAOYSA-N 1 2 329.347 1.717 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1ccc(C#N)cc1 ZINC000284148291 443767824 /nfs/dbraw/zinc/76/78/24/443767824.db2.gz VODUVSOEGGESIH-XKQJLSEDSA-N 1 2 328.416 1.734 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccc(C#N)cc1 ZINC000284148291 443767828 /nfs/dbraw/zinc/76/78/28/443767828.db2.gz VODUVSOEGGESIH-XKQJLSEDSA-N 1 2 328.416 1.734 20 30 EDEDLO Cc1cccc(OCCNC(=O)[C@@H](C)O[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284380894 443773944 /nfs/dbraw/zinc/77/39/44/443773944.db2.gz MAMQTJOCGZDCHX-UKRRQHHQSA-N 1 2 335.404 1.346 20 30 EDEDLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292145922 443778963 /nfs/dbraw/zinc/77/89/63/443778963.db2.gz JWKQCZFHNPPVQG-RISCZKNCSA-N 1 2 325.376 1.489 20 30 EDEDLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292145922 443778965 /nfs/dbraw/zinc/77/89/65/443778965.db2.gz JWKQCZFHNPPVQG-RISCZKNCSA-N 1 2 325.376 1.489 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3cn4ccccc4n3)CC2)C1=O ZINC000281154585 443833486 /nfs/dbraw/zinc/83/34/86/443833486.db2.gz KCBDVIRLUGVTLX-KRWDZBQOSA-N 1 2 339.443 1.239 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3cn4ccccc4n3)CC2)C1=O ZINC000281154587 443833956 /nfs/dbraw/zinc/83/39/56/443833956.db2.gz KCBDVIRLUGVTLX-QGZVFWFLSA-N 1 2 339.443 1.239 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000276717264 443800970 /nfs/dbraw/zinc/80/09/70/443800970.db2.gz DXLWXHFLRFMGAS-MRXNPFEDSA-N 1 2 343.475 1.415 20 30 EDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000277046756 443894340 /nfs/dbraw/zinc/89/43/40/443894340.db2.gz UOKWVSRHPXHQIR-NSHDSACASA-N 1 2 332.356 1.152 20 30 EDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000277046756 443894344 /nfs/dbraw/zinc/89/43/44/443894344.db2.gz UOKWVSRHPXHQIR-NSHDSACASA-N 1 2 332.356 1.152 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)C1=O ZINC000281287488 443870162 /nfs/dbraw/zinc/87/01/62/443870162.db2.gz JALVOAMNXFHWSV-CZUORRHYSA-N 1 2 326.400 1.604 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)C1=O ZINC000281287488 443870168 /nfs/dbraw/zinc/87/01/68/443870168.db2.gz JALVOAMNXFHWSV-CZUORRHYSA-N 1 2 326.400 1.604 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000535782422 320718927 /nfs/dbraw/zinc/71/89/27/320718927.db2.gz HQIINAGNZILQKH-UHFFFAOYSA-N 1 2 349.442 1.666 20 30 EDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000293213368 443953459 /nfs/dbraw/zinc/95/34/59/443953459.db2.gz RIXPJVRJINUVEN-HNNXBMFYSA-N 1 2 329.444 1.990 20 30 EDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000293213368 443953461 /nfs/dbraw/zinc/95/34/61/443953461.db2.gz RIXPJVRJINUVEN-HNNXBMFYSA-N 1 2 329.444 1.990 20 30 EDEDLO C#CC[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000277444001 443986418 /nfs/dbraw/zinc/98/64/18/443986418.db2.gz MWHJJMQMFPAIRI-QGZVFWFLSA-N 1 2 327.428 1.915 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000285459957 443993086 /nfs/dbraw/zinc/99/30/86/443993086.db2.gz JPJZUDWGZGEVSI-APWZRJJASA-N 1 2 345.443 1.510 20 30 EDEDLO COCC[NH+]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000285363143 443956854 /nfs/dbraw/zinc/95/68/54/443956854.db2.gz AKVDANQHQLDVPT-UHFFFAOYSA-N 1 2 333.407 1.766 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](CC)[C@@H]2CCN(c3ccccc3)C2=O)C1=O ZINC000281936268 444043323 /nfs/dbraw/zinc/04/33/23/444043323.db2.gz ILWUHURAODOZKH-IAGOWNOFSA-N 1 2 327.428 1.901 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](CC)[C@@H]2CCN(c3ccccc3)C2=O)C1=O ZINC000281936268 444043328 /nfs/dbraw/zinc/04/33/28/444043328.db2.gz ILWUHURAODOZKH-IAGOWNOFSA-N 1 2 327.428 1.901 20 30 EDEDLO C#CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(F)cc1 ZINC000299332536 444020741 /nfs/dbraw/zinc/02/07/41/444020741.db2.gz LBGGXOCKDMGJLR-UHFFFAOYSA-N 1 2 345.296 1.649 20 30 EDEDLO C#CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(F)cc1 ZINC000299332536 444020746 /nfs/dbraw/zinc/02/07/46/444020746.db2.gz LBGGXOCKDMGJLR-UHFFFAOYSA-N 1 2 345.296 1.649 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000285557514 444027681 /nfs/dbraw/zinc/02/76/81/444027681.db2.gz RBFVQWNMJBULFM-DXCKQFNASA-N 1 2 343.431 1.480 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)OCC ZINC000285561926 444028779 /nfs/dbraw/zinc/02/87/79/444028779.db2.gz ZASCQGAUCFILGQ-SUYBPPKGSA-N 1 2 334.420 1.227 20 30 EDEDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000299569362 444081645 /nfs/dbraw/zinc/08/16/45/444081645.db2.gz BGSGTFJUXKBKQU-UHFFFAOYSA-N 1 2 346.387 1.591 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)CC1 ZINC000277923496 444065224 /nfs/dbraw/zinc/06/52/24/444065224.db2.gz QCJKYPLOOBSQAF-UHFFFAOYSA-N 1 2 348.468 1.135 20 30 EDEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@]4(CCS(=O)(=O)C4)C3)cnc12 ZINC000564455455 321133051 /nfs/dbraw/zinc/13/30/51/321133051.db2.gz YWVVZMPXVZSCDF-INIZCTEOSA-N 1 2 345.428 1.002 20 30 EDEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@]4(CCS(=O)(=O)C4)C3)cnc12 ZINC000564455455 321133052 /nfs/dbraw/zinc/13/30/52/321133052.db2.gz YWVVZMPXVZSCDF-INIZCTEOSA-N 1 2 345.428 1.002 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000566043814 321211195 /nfs/dbraw/zinc/21/11/95/321211195.db2.gz NQLSFDVCWMYDMB-AWEZNQCLSA-N 1 2 329.400 1.307 20 30 EDEDLO COC(=O)c1oc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1C ZINC000570656938 321351929 /nfs/dbraw/zinc/35/19/29/321351929.db2.gz MBGAUZHXBORQOE-UHFFFAOYSA-N 1 2 340.383 1.964 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1)C(C)C ZINC000294292337 444110645 /nfs/dbraw/zinc/11/06/45/444110645.db2.gz SYVJQIUWYLKKJB-HUUCEWRRSA-N 1 2 330.432 1.968 20 30 EDEDLO C=CCC(F)(F)C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000294304590 444111565 /nfs/dbraw/zinc/11/15/65/444111565.db2.gz NONAQYMSDQEGQV-UHFFFAOYSA-N 1 2 326.391 1.893 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)C(C)C ZINC000282355594 444155592 /nfs/dbraw/zinc/15/55/92/444155592.db2.gz VUBGWACNUTZPBB-GOEBONIOSA-N 1 2 330.432 1.764 20 30 EDEDLO CNC(=O)C[NH+]1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC000301289111 444160905 /nfs/dbraw/zinc/16/09/05/444160905.db2.gz SIFWPHPUAJWPEF-UHFFFAOYSA-N 1 2 343.818 1.628 20 30 EDEDLO Cc1noc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000296597209 444242355 /nfs/dbraw/zinc/24/23/55/444242355.db2.gz DAOFSBOPWUDBKQ-UHFFFAOYSA-N 1 2 326.360 1.599 20 30 EDEDLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1=O ZINC000328776300 444348350 /nfs/dbraw/zinc/34/83/50/444348350.db2.gz FLQCDMVEZABNDS-TUVASFSCSA-N 1 2 343.431 1.173 20 30 EDEDLO COC(=O)[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000331030490 444365779 /nfs/dbraw/zinc/36/57/79/444365779.db2.gz YZWGRNUVCFGUTG-UONOGXRCSA-N 1 2 341.452 1.142 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000297799884 444335950 /nfs/dbraw/zinc/33/59/50/444335950.db2.gz NICDVQXZHZFRQV-HNNXBMFYSA-N 1 2 330.432 1.321 20 30 EDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000329025142 444450274 /nfs/dbraw/zinc/45/02/74/444450274.db2.gz NPPRYHQQQVUYRP-VNHYZAJKSA-N 1 2 328.416 1.874 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329069244 444463833 /nfs/dbraw/zinc/46/38/33/444463833.db2.gz YBBGIFMCZWPZIR-OCCSQVGLSA-N 1 2 336.436 1.885 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329069244 444463835 /nfs/dbraw/zinc/46/38/35/444463835.db2.gz YBBGIFMCZWPZIR-OCCSQVGLSA-N 1 2 336.436 1.885 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnc4c(c3)CCCC4)C[C@@H]21 ZINC000328973076 444429692 /nfs/dbraw/zinc/42/96/92/444429692.db2.gz PGEYVOQUYKPONX-DLBZAZTESA-N 1 2 330.432 1.911 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3cnc4c(c3)CCCC4)C[C@@H]21 ZINC000328973076 444429697 /nfs/dbraw/zinc/42/96/97/444429697.db2.gz PGEYVOQUYKPONX-DLBZAZTESA-N 1 2 330.432 1.911 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](F)C2)CC1 ZINC000329220581 444505352 /nfs/dbraw/zinc/50/53/52/444505352.db2.gz BKQSJGLSABNHEZ-LSDHHAIUSA-N 1 2 337.443 1.959 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)C[C@H]21 ZINC000329235675 444508435 /nfs/dbraw/zinc/50/84/35/444508435.db2.gz NSRQYNSLGWHSAP-MLHJIOFPSA-N 1 2 345.443 1.693 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)C[C@H]21 ZINC000329235675 444508438 /nfs/dbraw/zinc/50/84/38/444508438.db2.gz NSRQYNSLGWHSAP-MLHJIOFPSA-N 1 2 345.443 1.693 20 30 EDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000332685732 444526834 /nfs/dbraw/zinc/52/68/34/444526834.db2.gz SLCQLHOATSMCSJ-AWEZNQCLSA-N 1 2 345.790 1.666 20 30 EDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000332685732 444526836 /nfs/dbraw/zinc/52/68/36/444526836.db2.gz SLCQLHOATSMCSJ-AWEZNQCLSA-N 1 2 345.790 1.666 20 30 EDEDLO O=C(NC[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329386303 444559126 /nfs/dbraw/zinc/55/91/26/444559126.db2.gz QGWNLDMCYQARFO-CJNGLKHVSA-N 1 2 335.448 1.597 20 30 EDEDLO O=C(NC[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329386303 444559130 /nfs/dbraw/zinc/55/91/30/444559130.db2.gz QGWNLDMCYQARFO-CJNGLKHVSA-N 1 2 335.448 1.597 20 30 EDEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329387383 444559460 /nfs/dbraw/zinc/55/94/60/444559460.db2.gz QEJZEZSZCPOBCK-OFQRWUPVSA-N 1 2 337.464 1.843 20 30 EDEDLO Cc1ccc(N2CCC[C@@H](NC(=O)N(C)Cc3[nH+]ccn3C)C2)nn1 ZINC000329403692 444565168 /nfs/dbraw/zinc/56/51/68/444565168.db2.gz WTNGVCGMTIIMNF-CQSZACIVSA-N 1 2 343.435 1.533 20 30 EDEDLO CC(C)C[C@@H]1C[C@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CCO1 ZINC000329431038 444576387 /nfs/dbraw/zinc/57/63/87/444576387.db2.gz HRVIGHVCHQYZFL-OWCLPIDISA-N 1 2 326.485 1.330 20 30 EDEDLO CC(C)C[C@@H]1C[C@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CCO1 ZINC000329431038 444576391 /nfs/dbraw/zinc/57/63/91/444576391.db2.gz HRVIGHVCHQYZFL-OWCLPIDISA-N 1 2 326.485 1.330 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)C[C@H]21 ZINC000329630225 444656625 /nfs/dbraw/zinc/65/66/25/444656625.db2.gz QQBWWQSJVXLHLA-ZJPYXAASSA-N 1 2 345.443 1.836 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)C[C@H]21 ZINC000329630225 444656629 /nfs/dbraw/zinc/65/66/29/444656629.db2.gz QQBWWQSJVXLHLA-ZJPYXAASSA-N 1 2 345.443 1.836 20 30 EDEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000342368867 444660492 /nfs/dbraw/zinc/66/04/92/444660492.db2.gz MJHAAZWEYMGVQQ-UHFFFAOYSA-N 1 2 328.303 1.356 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000342372368 444661872 /nfs/dbraw/zinc/66/18/72/444661872.db2.gz MQUBPUCBQWRRNT-FUHWJXTLSA-N 1 2 327.384 1.374 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000342372368 444661879 /nfs/dbraw/zinc/66/18/79/444661879.db2.gz MQUBPUCBQWRRNT-FUHWJXTLSA-N 1 2 327.384 1.374 20 30 EDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cnc3c(c1)nnn3C)CCC2 ZINC000329662388 444670838 /nfs/dbraw/zinc/67/08/38/444670838.db2.gz JBXZYMGGUVHOJS-LLVKDONJSA-N 1 2 325.376 1.750 20 30 EDEDLO CCc1nnc(N2CC[NH+](Cc3cnn(C)c3)CC2)c(C#N)c1CC ZINC000343887602 444647557 /nfs/dbraw/zinc/64/75/57/444647557.db2.gz VHTSMDWTVQYONU-UHFFFAOYSA-N 1 2 339.447 1.529 20 30 EDEDLO CO[C@H]1C[C@H](c2nnc(C)[nH]2)N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000344021970 444732925 /nfs/dbraw/zinc/73/29/25/444732925.db2.gz YFPKJFVCTZXZFN-LSDHHAIUSA-N 1 2 337.387 1.595 20 30 EDEDLO C=CCCCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000342481461 444710806 /nfs/dbraw/zinc/71/08/06/444710806.db2.gz OFRZZDDVQCNBGJ-OAHLLOKOSA-N 1 2 330.432 1.369 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000329772113 444711445 /nfs/dbraw/zinc/71/14/45/444711445.db2.gz HEXISNODICYHIH-CYBMUJFWSA-N 1 2 336.417 1.779 20 30 EDEDLO O=C(Nc1ccc2c(c1F)CCNC2=O)N1CCn2c[nH+]cc2C1 ZINC000329792327 444718496 /nfs/dbraw/zinc/71/84/96/444718496.db2.gz VBXNUBPGQBBCHL-UHFFFAOYSA-N 1 2 329.335 1.944 20 30 EDEDLO Cc1cc2cc(CNC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)ccc2[nH]1 ZINC000329695878 444683354 /nfs/dbraw/zinc/68/33/54/444683354.db2.gz DHLNGKUTEFCZOH-SJORKVTESA-N 1 2 328.416 1.905 20 30 EDEDLO Cc1cc2cc(CNC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)ccc2[nH]1 ZINC000329695878 444683357 /nfs/dbraw/zinc/68/33/57/444683357.db2.gz DHLNGKUTEFCZOH-SJORKVTESA-N 1 2 328.416 1.905 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000333613198 444685175 /nfs/dbraw/zinc/68/51/75/444685175.db2.gz XAAACDMGWQADPU-ZACQAIPSSA-N 1 2 349.475 1.123 20 30 EDEDLO Cn1c2cc(O)c(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2n(C)c1=O ZINC000329731326 444695922 /nfs/dbraw/zinc/69/59/22/444695922.db2.gz IEZWJFQFLLGBOB-JTQLQIEISA-N 1 2 341.371 1.630 20 30 EDEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1C[C@@]12CCOC2 ZINC000329734376 444696890 /nfs/dbraw/zinc/69/68/90/444696890.db2.gz KGFXHAYKCRJLPK-MAUKXSAKSA-N 1 2 335.448 1.314 20 30 EDEDLO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)o1 ZINC000329915921 444767287 /nfs/dbraw/zinc/76/72/87/444767287.db2.gz DKAGJHBVSUJVJL-AWEZNQCLSA-N 1 2 347.419 1.358 20 30 EDEDLO Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)o1 ZINC000329915921 444767289 /nfs/dbraw/zinc/76/72/89/444767289.db2.gz DKAGJHBVSUJVJL-AWEZNQCLSA-N 1 2 347.419 1.358 20 30 EDEDLO COc1ccc(Cl)cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329942760 444779956 /nfs/dbraw/zinc/77/99/56/444779956.db2.gz VSVVDRSOPUXKQR-TZMCWYRMSA-N 1 2 325.796 1.909 20 30 EDEDLO COc1ccc(Cl)cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329942760 444779957 /nfs/dbraw/zinc/77/99/57/444779957.db2.gz VSVVDRSOPUXKQR-TZMCWYRMSA-N 1 2 325.796 1.909 20 30 EDEDLO COc1cc(C)c(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1OC ZINC000329949133 444782853 /nfs/dbraw/zinc/78/28/53/444782853.db2.gz ZREFWVHOTCXICD-BBRMVZONSA-N 1 2 335.404 1.573 20 30 EDEDLO COc1cc(C)c(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1OC ZINC000329949133 444782856 /nfs/dbraw/zinc/78/28/56/444782856.db2.gz ZREFWVHOTCXICD-BBRMVZONSA-N 1 2 335.404 1.573 20 30 EDEDLO C[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)C[NH+]1CCOCC1 ZINC000330002228 444806805 /nfs/dbraw/zinc/80/68/05/444806805.db2.gz AXQKIEQYRLCLQF-HNNXBMFYSA-N 1 2 343.493 1.348 20 30 EDEDLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000330009342 444809523 /nfs/dbraw/zinc/80/95/23/444809523.db2.gz GESPWJNBFRXGTC-ZIAGYGMSSA-N 1 2 332.466 1.267 20 30 EDEDLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCS2(=O)=O)C1 ZINC000330009342 444809527 /nfs/dbraw/zinc/80/95/27/444809527.db2.gz GESPWJNBFRXGTC-ZIAGYGMSSA-N 1 2 332.466 1.267 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCN1C ZINC000329965092 444790752 /nfs/dbraw/zinc/79/07/52/444790752.db2.gz QYHPHHJZJUVNPF-YJNKXOJESA-N 1 2 347.463 1.436 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000336931065 444859849 /nfs/dbraw/zinc/85/98/49/444859849.db2.gz BLTYJIIIYXMEBI-ZDUSSCGKSA-N 1 2 347.444 1.893 20 30 EDEDLO O=C(CCNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCCCC1 ZINC000330181016 444876292 /nfs/dbraw/zinc/87/62/92/444876292.db2.gz NSDLOGSORKCFRS-CQSZACIVSA-N 1 2 333.436 1.494 20 30 EDEDLO O=C(CC[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)N1CCCCCC1 ZINC000330181016 444876294 /nfs/dbraw/zinc/87/62/94/444876294.db2.gz NSDLOGSORKCFRS-CQSZACIVSA-N 1 2 333.436 1.494 20 30 EDEDLO C[C@@H](C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1)n1cnc(C#N)n1 ZINC000336980816 444886132 /nfs/dbraw/zinc/88/61/32/444886132.db2.gz SGHMGHZJDNTQLK-AWEZNQCLSA-N 1 2 349.398 1.614 20 30 EDEDLO COC[C@H]1C[C@@H](OC)C[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000344373473 444927045 /nfs/dbraw/zinc/92/70/45/444927045.db2.gz SRCDSOSGSNUEMB-ZIAGYGMSSA-N 1 2 337.807 1.886 20 30 EDEDLO COC[C@H]1C[C@@H](OC)C[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000344373473 444927047 /nfs/dbraw/zinc/92/70/47/444927047.db2.gz SRCDSOSGSNUEMB-ZIAGYGMSSA-N 1 2 337.807 1.886 20 30 EDEDLO Cc1nsc(NCC[NH+]2CCN(c3ncccn3)CC2)c1C#N ZINC000341719581 444969014 /nfs/dbraw/zinc/96/90/14/444969014.db2.gz CNJRWPMAGKAIPX-UHFFFAOYSA-N 1 2 329.433 1.347 20 30 EDEDLO CCC(=O)N[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000330415991 444973540 /nfs/dbraw/zinc/97/35/40/444973540.db2.gz AVDWSQAKQPXMDT-AWEZNQCLSA-N 1 2 340.468 1.002 20 30 EDEDLO CCC(=O)N[C@H]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000330415991 444973547 /nfs/dbraw/zinc/97/35/47/444973547.db2.gz AVDWSQAKQPXMDT-AWEZNQCLSA-N 1 2 340.468 1.002 20 30 EDEDLO CCC(=O)N[C@H]1CCCN(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000330455261 444988509 /nfs/dbraw/zinc/98/85/09/444988509.db2.gz DHBXGPYHIMBLCP-AWEZNQCLSA-N 1 2 333.436 1.552 20 30 EDEDLO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000337391946 445060701 /nfs/dbraw/zinc/06/07/01/445060701.db2.gz HRRBTLBNFQRCFK-IEZWGBDMSA-N 1 2 343.427 1.611 20 30 EDEDLO COc1cccc([C@@H]2C[C@H](O)C[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000337391946 445060705 /nfs/dbraw/zinc/06/07/05/445060705.db2.gz HRRBTLBNFQRCFK-IEZWGBDMSA-N 1 2 343.427 1.611 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CCOc3cc[nH+]cc32)c(F)c1 ZINC000339157132 445063201 /nfs/dbraw/zinc/06/32/01/445063201.db2.gz WFBPSDPIIRATAU-UHFFFAOYSA-N 1 2 333.344 1.821 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2cccnc2)CC1 ZINC000330651136 445079333 /nfs/dbraw/zinc/07/93/33/445079333.db2.gz MDHPZMSRDZGFRT-QFBILLFUSA-N 1 2 343.475 1.642 20 30 EDEDLO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000330651810 445079737 /nfs/dbraw/zinc/07/97/37/445079737.db2.gz YEOLSDKKYITDDM-OAHLLOKOSA-N 1 2 334.420 1.938 20 30 EDEDLO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000330651810 445079738 /nfs/dbraw/zinc/07/97/38/445079738.db2.gz YEOLSDKKYITDDM-OAHLLOKOSA-N 1 2 334.420 1.938 20 30 EDEDLO CCn1nc(C)c(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1C ZINC000330655925 445082447 /nfs/dbraw/zinc/08/24/47/445082447.db2.gz NANNCVALJHUBPV-UHFFFAOYSA-N 1 2 336.440 1.997 20 30 EDEDLO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000344703798 445134221 /nfs/dbraw/zinc/13/42/21/445134221.db2.gz HEHPSPBOIRYMGH-GJZGRUSLSA-N 1 2 341.411 1.819 20 30 EDEDLO CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000344703798 445134225 /nfs/dbraw/zinc/13/42/25/445134225.db2.gz HEHPSPBOIRYMGH-GJZGRUSLSA-N 1 2 341.411 1.819 20 30 EDEDLO CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c(C)c1 ZINC000330717079 445110153 /nfs/dbraw/zinc/11/01/53/445110153.db2.gz UVBBIWFSQNFPIU-OAHLLOKOSA-N 1 2 347.463 1.316 20 30 EDEDLO CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c(C)c1 ZINC000330717079 445110157 /nfs/dbraw/zinc/11/01/57/445110157.db2.gz UVBBIWFSQNFPIU-OAHLLOKOSA-N 1 2 347.463 1.316 20 30 EDEDLO Cc1nc(N2CCN(C(=O)NCCC(=O)OC(C)C)CC2)cc[nH+]1 ZINC000330853894 445167251 /nfs/dbraw/zinc/16/72/51/445167251.db2.gz GTDSRLPPDYWQEZ-UHFFFAOYSA-N 1 2 335.408 1.163 20 30 EDEDLO CCOC(=O)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)CC(C)C ZINC000343313303 445193637 /nfs/dbraw/zinc/19/36/37/445193637.db2.gz HKBHLEGXXLYSPG-UHFFFAOYSA-N 1 2 331.416 1.696 20 30 EDEDLO CCOC(=O)C[N@H+](CC(=O)NCc1cccc(C#N)c1)CC(C)C ZINC000343313303 445193638 /nfs/dbraw/zinc/19/36/38/445193638.db2.gz HKBHLEGXXLYSPG-UHFFFAOYSA-N 1 2 331.416 1.696 20 30 EDEDLO CC[C@H](O)C[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000330876579 445176666 /nfs/dbraw/zinc/17/66/66/445176666.db2.gz JYENXKNWDKNCIV-HNNXBMFYSA-N 1 2 343.493 1.179 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337598588 445159270 /nfs/dbraw/zinc/15/92/70/445159270.db2.gz CBPLTEPUVXEAIA-KSSFIOAISA-N 1 2 336.395 1.894 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000343318139 445196567 /nfs/dbraw/zinc/19/65/67/445196567.db2.gz HOBQDDWEEKRACF-UHFFFAOYSA-N 1 2 339.842 1.941 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000343318139 445196569 /nfs/dbraw/zinc/19/65/69/445196569.db2.gz HOBQDDWEEKRACF-UHFFFAOYSA-N 1 2 339.842 1.941 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000330937984 445197521 /nfs/dbraw/zinc/19/75/21/445197521.db2.gz BBVAJHGWQOKHLN-GDBMZVCRSA-N 1 2 332.448 1.688 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000330937984 445197523 /nfs/dbraw/zinc/19/75/23/445197523.db2.gz BBVAJHGWQOKHLN-GDBMZVCRSA-N 1 2 332.448 1.688 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000330949399 445199905 /nfs/dbraw/zinc/19/99/05/445199905.db2.gz NMEDIVYUCJHTSU-CHWSQXEVSA-N 1 2 334.420 1.538 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000330949399 445199907 /nfs/dbraw/zinc/19/99/07/445199907.db2.gz NMEDIVYUCJHTSU-CHWSQXEVSA-N 1 2 334.420 1.538 20 30 EDEDLO C=CCOC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)OC ZINC000348362781 445267412 /nfs/dbraw/zinc/26/74/12/445267412.db2.gz VLJVHRRFVAJNHS-GOSISDBHSA-N 1 2 343.427 1.861 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N(Cc2cc[nH+]c(N3CCCC3)c2)C1=O ZINC000348453989 445296654 /nfs/dbraw/zinc/29/66/54/445296654.db2.gz XQWUWHDAJKYOSH-AWEZNQCLSA-N 1 2 330.388 1.305 20 30 EDEDLO COc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000352544976 445536875 /nfs/dbraw/zinc/53/68/75/445536875.db2.gz FKAAFUPESWTPNE-UHFFFAOYSA-N 1 2 348.403 1.651 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cc(F)cc3c2OCOC3)C(N)=O)cc1 ZINC000360060983 445550536 /nfs/dbraw/zinc/55/05/36/445550536.db2.gz PXHDDKFDTZDASG-MRXNPFEDSA-N 1 2 341.342 1.880 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1COC[C@H]1O ZINC000352817329 445557611 /nfs/dbraw/zinc/55/76/11/445557611.db2.gz QTXLNVQICCDRLF-VHDGCEQUSA-N 1 2 349.456 1.568 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352817329 445557613 /nfs/dbraw/zinc/55/76/13/445557613.db2.gz QTXLNVQICCDRLF-VHDGCEQUSA-N 1 2 349.456 1.568 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352814556 445557746 /nfs/dbraw/zinc/55/77/46/445557746.db2.gz IQNTXKFUUJYYEU-YUELXQCFSA-N 1 2 349.456 1.711 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352814556 445557749 /nfs/dbraw/zinc/55/77/49/445557749.db2.gz IQNTXKFUUJYYEU-YUELXQCFSA-N 1 2 349.456 1.711 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(C)(C)C#N ZINC000353260244 445583588 /nfs/dbraw/zinc/58/35/88/445583588.db2.gz UDIAONVMKSDRHZ-CQSZACIVSA-N 1 2 333.436 1.491 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(C)(C)C#N ZINC000353260244 445583593 /nfs/dbraw/zinc/58/35/93/445583593.db2.gz UDIAONVMKSDRHZ-CQSZACIVSA-N 1 2 333.436 1.491 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3[C@H]4CCCO[C@H]43)CC2)cc1 ZINC000356204551 445674369 /nfs/dbraw/zinc/67/43/69/445674369.db2.gz VPMBUMFLBXKFTM-KZNAEPCWSA-N 1 2 325.412 1.627 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC000363345977 445773914 /nfs/dbraw/zinc/77/39/14/445773914.db2.gz VKNQVOFIULEADQ-KRWDZBQOSA-N 1 2 347.503 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC000363345977 445773919 /nfs/dbraw/zinc/77/39/19/445773919.db2.gz VKNQVOFIULEADQ-KRWDZBQOSA-N 1 2 347.503 1.877 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361601710 445842648 /nfs/dbraw/zinc/84/26/48/445842648.db2.gz GPUIHMQGOJDZQL-ZWKOTPCHSA-N 1 2 337.464 1.701 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361601710 445842649 /nfs/dbraw/zinc/84/26/49/445842649.db2.gz GPUIHMQGOJDZQL-ZWKOTPCHSA-N 1 2 337.464 1.701 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2cn[nH]c21 ZINC000354087013 445894225 /nfs/dbraw/zinc/89/42/25/445894225.db2.gz WDOGVTAFYXAHPT-UHFFFAOYSA-N 1 2 327.388 1.251 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000350951665 445957024 /nfs/dbraw/zinc/95/70/24/445957024.db2.gz QOSSLICPCNXPJP-JTQLQIEISA-N 1 2 333.373 1.417 20 30 EDEDLO COCC[C@](C)(C#N)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000351108630 445993676 /nfs/dbraw/zinc/99/36/76/445993676.db2.gz MDDWKPVNPPTQMG-MRXNPFEDSA-N 1 2 348.428 1.528 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C1CC1 ZINC000356791167 446024061 /nfs/dbraw/zinc/02/40/61/446024061.db2.gz YRQVTZLWKIJERI-AWEZNQCLSA-N 1 2 341.346 1.637 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000583761228 326135257 /nfs/dbraw/zinc/13/52/57/326135257.db2.gz KMSHYRQSLDBJNA-ZDUSSCGKSA-N 1 2 341.390 1.948 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000583761228 326135260 /nfs/dbraw/zinc/13/52/60/326135260.db2.gz KMSHYRQSLDBJNA-ZDUSSCGKSA-N 1 2 341.390 1.948 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1F ZINC000369312785 446066977 /nfs/dbraw/zinc/06/69/77/446066977.db2.gz SICAVCOQLUHBCE-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1F ZINC000369312785 446066982 /nfs/dbraw/zinc/06/69/82/446066982.db2.gz SICAVCOQLUHBCE-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000366364650 446174768 /nfs/dbraw/zinc/17/47/68/446174768.db2.gz AJBNDDQASZBLQE-INIZCTEOSA-N 1 2 325.416 1.789 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000366364650 446174774 /nfs/dbraw/zinc/17/47/74/446174774.db2.gz AJBNDDQASZBLQE-INIZCTEOSA-N 1 2 325.416 1.789 20 30 EDEDLO CCCS(=O)(=O)NC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000362277853 446299977 /nfs/dbraw/zinc/29/99/77/446299977.db2.gz LVWARYBSIGSLNJ-UHFFFAOYSA-N 1 2 339.436 1.991 20 30 EDEDLO CC(C)(C(=O)NC[C@H]1C[NH+]2CCN1CC2)c1cc(F)cc(C#N)c1 ZINC000376118787 446342234 /nfs/dbraw/zinc/34/22/34/446342234.db2.gz SGCCECOVCMKDHP-INIZCTEOSA-N 1 2 330.407 1.091 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000373955312 446344535 /nfs/dbraw/zinc/34/45/35/446344535.db2.gz OPNQAURIKHDTOY-KLHKWILBSA-N 1 2 339.480 1.910 20 30 EDEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000411154325 446411611 /nfs/dbraw/zinc/41/16/11/446411611.db2.gz LVPRNRBIZVBOEU-AWEZNQCLSA-N 1 2 332.429 1.557 20 30 EDEDLO C[C@H](CCC#N)[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000411385747 446511960 /nfs/dbraw/zinc/51/19/60/446511960.db2.gz IZLAMJXVRHEKGH-KGLIPLIRSA-N 1 2 327.384 1.676 20 30 EDEDLO C[C@H](CCC#N)[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000411385747 446511965 /nfs/dbraw/zinc/51/19/65/446511965.db2.gz IZLAMJXVRHEKGH-KGLIPLIRSA-N 1 2 327.384 1.676 20 30 EDEDLO CC(C)(CNC(=O)[C@@]1(C#N)CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000367583927 446565377 /nfs/dbraw/zinc/56/53/77/446565377.db2.gz UFSHAKMHSHFTMQ-FQEVSTJZSA-N 1 2 341.455 1.912 20 30 EDEDLO CCN1CCN(C(=O)c2cccc(F)c2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000433110842 446533748 /nfs/dbraw/zinc/53/37/48/446533748.db2.gz QONTZEZMUWXCCI-HNNXBMFYSA-N 1 2 327.363 1.939 20 30 EDEDLO N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000453726484 446625627 /nfs/dbraw/zinc/62/56/27/446625627.db2.gz WZYGHWUOKLNNLY-MRXNPFEDSA-N 1 2 337.383 1.579 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@](O)(C(F)F)C2)C1=O ZINC000411787352 446675773 /nfs/dbraw/zinc/67/57/73/446675773.db2.gz DUIINYGSGSDXHD-IINYFYTJSA-N 1 2 327.356 1.427 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@](O)(C(F)F)C2)C1=O ZINC000411787352 446675781 /nfs/dbraw/zinc/67/57/81/446675781.db2.gz DUIINYGSGSDXHD-IINYFYTJSA-N 1 2 327.356 1.427 20 30 EDEDLO CC(C)(C)N1CC[C@H]([NH+]2CCN(c3ncccc3C#N)CC2)C1=O ZINC000424113903 446858415 /nfs/dbraw/zinc/85/84/15/446858415.db2.gz OXKJUWKBHAMTCJ-HNNXBMFYSA-N 1 2 327.432 1.475 20 30 EDEDLO C[C@@H](NC(=O)NCc1ccc(C#N)c(F)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000454543627 446907395 /nfs/dbraw/zinc/90/73/95/446907395.db2.gz MBKAQMGSJDQREA-CHWSQXEVSA-N 1 2 334.395 1.606 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2ccc(C#N)nc2)C1 ZINC000442836293 446985086 /nfs/dbraw/zinc/98/50/86/446985086.db2.gz ZOLXKFPATOMDQP-SFHVURJKSA-N 1 2 344.415 1.489 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(c2snc(Cl)c2C#N)C1 ZINC000372520933 447104885 /nfs/dbraw/zinc/10/48/85/447104885.db2.gz HREHMKUHZFLNIJ-VIFPVBQESA-N 1 2 349.851 1.751 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(c2snc(Cl)c2C#N)C1 ZINC000372520933 447104893 /nfs/dbraw/zinc/10/48/93/447104893.db2.gz HREHMKUHZFLNIJ-VIFPVBQESA-N 1 2 349.851 1.751 20 30 EDEDLO CC1(C)C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@@]2(CCOC2)O1 ZINC000376017118 447211413 /nfs/dbraw/zinc/21/14/13/447211413.db2.gz BMYPEXREMSHUCF-GOSISDBHSA-N 1 2 326.400 1.976 20 30 EDEDLO CC1(C)C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@@]2(CCOC2)O1 ZINC000376017118 447211416 /nfs/dbraw/zinc/21/14/16/447211416.db2.gz BMYPEXREMSHUCF-GOSISDBHSA-N 1 2 326.400 1.976 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(Oc2cnccn2)c1 ZINC000414128454 447276298 /nfs/dbraw/zinc/27/62/98/447276298.db2.gz SBZVLAZLTKAESL-CQSZACIVSA-N 1 2 328.372 1.854 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(Oc2cnccn2)c1 ZINC000414128454 447276300 /nfs/dbraw/zinc/27/63/00/447276300.db2.gz SBZVLAZLTKAESL-CQSZACIVSA-N 1 2 328.372 1.854 20 30 EDEDLO C=C[C@@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000426856171 447508728 /nfs/dbraw/zinc/50/87/28/447508728.db2.gz AHAMGMTZYWNFSZ-ZDUSSCGKSA-N 1 2 325.412 1.890 20 30 EDEDLO C=C[C@@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000426856171 447508732 /nfs/dbraw/zinc/50/87/32/447508732.db2.gz AHAMGMTZYWNFSZ-ZDUSSCGKSA-N 1 2 325.412 1.890 20 30 EDEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC1(C#N)CCC1 ZINC000416344019 447576189 /nfs/dbraw/zinc/57/61/89/447576189.db2.gz AMCDIVHXIAWQBL-UHFFFAOYSA-N 1 2 349.456 1.446 20 30 EDEDLO COC(=O)CC[N@@H+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@H]1C ZINC000450586318 447530067 /nfs/dbraw/zinc/53/00/67/447530067.db2.gz HHZRRRNSJIZOPQ-RDTXWAMCSA-N 1 2 333.432 1.556 20 30 EDEDLO COC(=O)CC[N@H+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@H]1C ZINC000450586318 447530072 /nfs/dbraw/zinc/53/00/72/447530072.db2.gz HHZRRRNSJIZOPQ-RDTXWAMCSA-N 1 2 333.432 1.556 20 30 EDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000450948722 447629898 /nfs/dbraw/zinc/62/98/98/447629898.db2.gz QFXANGHQWXHKPB-QEWYBTABSA-N 1 2 333.411 1.341 20 30 EDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000450948722 447629902 /nfs/dbraw/zinc/62/99/02/447629902.db2.gz QFXANGHQWXHKPB-QEWYBTABSA-N 1 2 333.411 1.341 20 30 EDEDLO CCOCC[N@@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)C[C@H]1C ZINC000451212565 447707169 /nfs/dbraw/zinc/70/71/69/447707169.db2.gz ZYKFVKTVBVEKHB-CQSZACIVSA-N 1 2 329.466 1.053 20 30 EDEDLO CCOCC[N@H+]1CCN(S(=O)(=O)CC2(CC#N)CC2)C[C@H]1C ZINC000451212565 447707176 /nfs/dbraw/zinc/70/71/76/447707176.db2.gz ZYKFVKTVBVEKHB-CQSZACIVSA-N 1 2 329.466 1.053 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@]1(C#N)CC1(C)C)CC2 ZINC000427883550 447666876 /nfs/dbraw/zinc/66/68/76/447666876.db2.gz QTOQXCOINUDUJH-LJQANCHMSA-N 1 2 343.427 1.870 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@]1(C#N)CC1(C)C)CC2 ZINC000427883550 447666882 /nfs/dbraw/zinc/66/68/82/447666882.db2.gz QTOQXCOINUDUJH-LJQANCHMSA-N 1 2 343.427 1.870 20 30 EDEDLO CCN(CC(=O)NCc1cccs1)C(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459465208 447674775 /nfs/dbraw/zinc/67/47/75/447674775.db2.gz NQLULBVWJICISX-HIFRSBDPSA-N 1 2 348.472 1.495 20 30 EDEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451358000 447727463 /nfs/dbraw/zinc/72/74/63/447727463.db2.gz FIRQELKSFMMYDY-RYUDHWBXSA-N 1 2 325.409 1.552 20 30 EDEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000451358000 447727469 /nfs/dbraw/zinc/72/74/69/447727469.db2.gz FIRQELKSFMMYDY-RYUDHWBXSA-N 1 2 325.409 1.552 20 30 EDEDLO CC[C@@H]1C[N@H+](CC)CCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451735301 447748321 /nfs/dbraw/zinc/74/83/21/447748321.db2.gz DDPFHQBAUUUCBD-MRXNPFEDSA-N 1 2 335.473 1.748 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC)CCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451735301 447748325 /nfs/dbraw/zinc/74/83/25/447748325.db2.gz DDPFHQBAUUUCBD-MRXNPFEDSA-N 1 2 335.473 1.748 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1(C(=O)OC)CCOCC1 ZINC000451754549 447750492 /nfs/dbraw/zinc/75/04/92/447750492.db2.gz FJFGRKHTJYXYSM-MRXNPFEDSA-N 1 2 349.427 1.467 20 30 EDEDLO CCOC(=O)Nc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)cc1C#N ZINC000496516227 447802055 /nfs/dbraw/zinc/80/20/55/447802055.db2.gz XPGPHALIAPPARN-OAHLLOKOSA-N 1 2 348.403 1.232 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(OC)cn2)CC1 ZINC000452060180 447809484 /nfs/dbraw/zinc/80/94/84/447809484.db2.gz QMMTYUWLRWONKS-OAHLLOKOSA-N 1 2 345.447 1.220 20 30 EDEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+](CC(=O)N[C@@H](C)CC)CC1 ZINC000549286861 447871703 /nfs/dbraw/zinc/87/17/03/447871703.db2.gz CHMVCTDRKJFVTK-HNNXBMFYSA-N 1 2 348.495 1.453 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@@](C)(c3ccc(C)cc3)C2=O)CC1 ZINC000490893952 447905862 /nfs/dbraw/zinc/90/58/62/447905862.db2.gz YHHPPXLKWBGRDN-FQEVSTJZSA-N 1 2 339.439 1.220 20 30 EDEDLO C=CCn1cccc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1[nH+]ccn1C ZINC000551979580 447920345 /nfs/dbraw/zinc/92/03/45/447920345.db2.gz REWCANUTJHZBRM-XJKSGUPXSA-N 1 2 341.415 1.357 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(CC#N)cc1)C2 ZINC000552148593 447937604 /nfs/dbraw/zinc/93/76/04/447937604.db2.gz VEVMCTNCHIAJAF-INIZCTEOSA-N 1 2 338.411 1.537 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000491294598 447984459 /nfs/dbraw/zinc/98/44/59/447984459.db2.gz CESQEGOZJLQYBX-HNNXBMFYSA-N 1 2 340.383 1.828 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000491483392 448039244 /nfs/dbraw/zinc/03/92/44/448039244.db2.gz BQAXOWJCAZNDQC-CZUORRHYSA-N 1 2 342.374 1.692 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCO1 ZINC000531699432 448129954 /nfs/dbraw/zinc/12/99/54/448129954.db2.gz HRHZQAMNRHQFRL-AWEZNQCLSA-N 1 2 331.416 1.553 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCO1 ZINC000531699432 448129960 /nfs/dbraw/zinc/12/99/60/448129960.db2.gz HRHZQAMNRHQFRL-AWEZNQCLSA-N 1 2 331.416 1.553 20 30 EDEDLO C[C@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000527049456 448147063 /nfs/dbraw/zinc/14/70/63/448147063.db2.gz KHLJUUNPFKEGDX-STQMWFEESA-N 1 2 339.403 1.264 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O)C1CC1 ZINC000582426112 448236159 /nfs/dbraw/zinc/23/61/59/448236159.db2.gz AEXVONUJMLGBHT-XLMAVXFVSA-N 1 2 335.448 1.047 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O)C1CC1 ZINC000582426112 448236162 /nfs/dbraw/zinc/23/61/62/448236162.db2.gz AEXVONUJMLGBHT-XLMAVXFVSA-N 1 2 335.448 1.047 20 30 EDEDLO CSc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1NC(C)=O ZINC000565051409 448353195 /nfs/dbraw/zinc/35/31/95/448353195.db2.gz NKLRXYGOHWTGTB-INIZCTEOSA-N 1 2 334.445 1.941 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000572470242 448386129 /nfs/dbraw/zinc/38/61/29/448386129.db2.gz QTHZUEOANUTPHA-KURKYZTESA-N 1 2 330.428 1.767 20 30 EDEDLO N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000584175281 448473856 /nfs/dbraw/zinc/47/38/56/448473856.db2.gz QQZOVEVKDCVYSZ-OAHLLOKOSA-N 1 2 335.411 1.924 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000535069096 448482639 /nfs/dbraw/zinc/48/26/39/448482639.db2.gz RABODTNASSTHSQ-UHFFFAOYSA-N 1 2 345.443 1.268 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000535069096 448482645 /nfs/dbraw/zinc/48/26/45/448482645.db2.gz RABODTNASSTHSQ-UHFFFAOYSA-N 1 2 345.443 1.268 20 30 EDEDLO CCOC(=O)C1(O)CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000535205790 448490285 /nfs/dbraw/zinc/49/02/85/448490285.db2.gz KTVXLZXDIOIOTL-UHFFFAOYSA-N 1 2 346.383 1.235 20 30 EDEDLO Cc1cc(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)c(C#N)cn1 ZINC000591817746 448497735 /nfs/dbraw/zinc/49/77/35/448497735.db2.gz DZIJAQSJXBLYTR-MRXNPFEDSA-N 1 2 341.459 1.785 20 30 EDEDLO N#Cc1ccc(F)c(CS(=O)(=O)NCCCCn2cc[nH+]c2)c1 ZINC000539373919 448611605 /nfs/dbraw/zinc/61/16/05/448611605.db2.gz VZLSMVYZFMCNRB-UHFFFAOYSA-N 1 2 336.392 1.794 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC(=O)Nc1cc(C)ccc1OC ZINC000579001345 448691237 /nfs/dbraw/zinc/69/12/37/448691237.db2.gz PRGQKQSMCMFSNK-CYBMUJFWSA-N 1 2 332.404 1.340 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c(OC)c1 ZINC000592146255 448705888 /nfs/dbraw/zinc/70/58/88/448705888.db2.gz GPBPADNPZYTSCO-SJCJKPOMSA-N 1 2 333.388 1.381 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c(OC)c1 ZINC000592146255 448705895 /nfs/dbraw/zinc/70/58/95/448705895.db2.gz GPBPADNPZYTSCO-SJCJKPOMSA-N 1 2 333.388 1.381 20 30 EDEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146696 448706508 /nfs/dbraw/zinc/70/65/08/448706508.db2.gz FCLJBFVEPDIOOS-PBHICJAKSA-N 1 2 333.457 1.934 20 30 EDEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146696 448706517 /nfs/dbraw/zinc/70/65/17/448706517.db2.gz FCLJBFVEPDIOOS-PBHICJAKSA-N 1 2 333.457 1.934 20 30 EDEDLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592147824 448707986 /nfs/dbraw/zinc/70/79/86/448707986.db2.gz SJMNKGAITUZVMO-SCLBCKFNSA-N 1 2 345.399 1.459 20 30 EDEDLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592147824 448707989 /nfs/dbraw/zinc/70/79/89/448707989.db2.gz SJMNKGAITUZVMO-SCLBCKFNSA-N 1 2 345.399 1.459 20 30 EDEDLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149711 448710866 /nfs/dbraw/zinc/71/08/66/448710866.db2.gz UXIRGHLFEJSRFJ-GUYCJALGSA-N 1 2 331.441 1.864 20 30 EDEDLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149711 448710869 /nfs/dbraw/zinc/71/08/69/448710869.db2.gz UXIRGHLFEJSRFJ-GUYCJALGSA-N 1 2 331.441 1.864 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149455 448710905 /nfs/dbraw/zinc/71/09/05/448710905.db2.gz PJYGQIYLRBIKNY-PIGZYNQJSA-N 1 2 344.440 1.786 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149455 448710908 /nfs/dbraw/zinc/71/09/08/448710908.db2.gz PJYGQIYLRBIKNY-PIGZYNQJSA-N 1 2 344.440 1.786 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1cnc2c(Cl)scc2c1=O ZINC000573921249 448747529 /nfs/dbraw/zinc/74/75/29/448747529.db2.gz OOZPCZWCWFCEDG-SECBINFHSA-N 1 2 326.809 1.318 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1cnc2c(Cl)scc2c1=O ZINC000573921249 448747534 /nfs/dbraw/zinc/74/75/34/448747534.db2.gz OOZPCZWCWFCEDG-SECBINFHSA-N 1 2 326.809 1.318 20 30 EDEDLO CC(C)(C)c1ncc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000579391398 448783791 /nfs/dbraw/zinc/78/37/91/448783791.db2.gz FDROCFFCPAXPFK-UHFFFAOYSA-N 1 2 345.447 1.462 20 30 EDEDLO COCc1ccc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000529212880 448792651 /nfs/dbraw/zinc/79/26/51/448792651.db2.gz WNYBQXFVNCERBR-CYBMUJFWSA-N 1 2 332.404 1.547 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000568241620 448842438 /nfs/dbraw/zinc/84/24/38/448842438.db2.gz TXLRREYFFPFHGN-MRXNPFEDSA-N 1 2 331.416 1.924 20 30 EDEDLO C[NH+]1CCC(C#N)(NC(=O)CSCC(=O)c2ccccc2)CC1 ZINC000520711429 448923984 /nfs/dbraw/zinc/92/39/84/448923984.db2.gz CZQAPIKPCKEVCG-UHFFFAOYSA-N 1 2 331.441 1.707 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000568587752 448888481 /nfs/dbraw/zinc/88/84/81/448888481.db2.gz RAQXQAWDLMOTTE-CABCVRRESA-N 1 2 325.453 1.378 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000568587752 448888483 /nfs/dbraw/zinc/88/84/83/448888483.db2.gz RAQXQAWDLMOTTE-CABCVRRESA-N 1 2 325.453 1.378 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)nn1 ZINC000521030805 448948558 /nfs/dbraw/zinc/94/85/58/448948558.db2.gz BSXPXKJWNVCXBF-KRWDZBQOSA-N 1 2 325.416 1.983 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)nn1 ZINC000521030805 448948564 /nfs/dbraw/zinc/94/85/64/448948564.db2.gz BSXPXKJWNVCXBF-KRWDZBQOSA-N 1 2 325.416 1.983 20 30 EDEDLO C=CCN(CCOC)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000580389912 448946468 /nfs/dbraw/zinc/94/64/68/448946468.db2.gz YGJPKQRZXYIKRU-UHFFFAOYSA-N 1 2 330.388 1.481 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2COc3ccc(F)cc32)nc1 ZINC000569353236 449010506 /nfs/dbraw/zinc/01/05/06/449010506.db2.gz MIHHMPWNLRQKQP-AWEZNQCLSA-N 1 2 347.371 1.589 20 30 EDEDLO N#CCc1ccc(CNC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000575179845 449055843 /nfs/dbraw/zinc/05/58/43/449055843.db2.gz VLNHVIXESVXROR-UHFFFAOYSA-N 1 2 339.399 1.162 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)CC(C)C ZINC000589835868 449066503 /nfs/dbraw/zinc/06/65/03/449066503.db2.gz QVCQLGGKUFREGJ-UKRRQHHQSA-N 1 2 333.436 1.538 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)CC(C)C ZINC000589835868 449066507 /nfs/dbraw/zinc/06/65/07/449066507.db2.gz QVCQLGGKUFREGJ-UKRRQHHQSA-N 1 2 333.436 1.538 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000590298600 449126006 /nfs/dbraw/zinc/12/60/06/449126006.db2.gz ZVTVCPQFVVDZIF-MRXNPFEDSA-N 1 2 328.416 1.171 20 30 EDEDLO CC[C@H](C#N)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000593636317 449122127 /nfs/dbraw/zinc/12/21/27/449122127.db2.gz UDNRIRKEYUFMDQ-OAHLLOKOSA-N 1 2 328.416 1.839 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000593155588 449154402 /nfs/dbraw/zinc/15/44/02/449154402.db2.gz HMLOQUKTNBBFOR-IBGZPJMESA-N 1 2 337.427 1.935 20 30 EDEDLO CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@@H]1CCC[C@H]1C#N ZINC000601804587 449162509 /nfs/dbraw/zinc/16/25/09/449162509.db2.gz BRMIZZFSHTWQHJ-JKSUJKDBSA-N 1 2 329.448 1.783 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)nc1 ZINC000597930504 449146293 /nfs/dbraw/zinc/14/62/93/449146293.db2.gz CQZLLDZAVCXBDK-MOPGFXCFSA-N 1 2 348.406 1.679 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)nc1 ZINC000597930504 449146299 /nfs/dbraw/zinc/14/62/99/449146299.db2.gz CQZLLDZAVCXBDK-MOPGFXCFSA-N 1 2 348.406 1.679 20 30 EDEDLO Cc1onc(CC(=O)NCc2ccc[nH+]c2N2CCCC2)c1C#N ZINC000597940865 449151357 /nfs/dbraw/zinc/15/13/57/449151357.db2.gz LZMJPIZJDGZOBT-UHFFFAOYSA-N 1 2 325.372 1.709 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CC)c1nnc2n1CCCCC2 ZINC000595805378 449177338 /nfs/dbraw/zinc/17/73/38/449177338.db2.gz QBZYUNOPXYNAAJ-QWHCGFSZSA-N 1 2 348.451 1.446 20 30 EDEDLO C[C@@H](CNC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000611173887 449200088 /nfs/dbraw/zinc/20/00/88/449200088.db2.gz POSKNVZLAZEYAA-IRXDYDNUSA-N 1 2 328.460 1.826 20 30 EDEDLO Cc1cc(C)c(CCNC(=O)C[NH+]2CCN(CCC#N)CC2)c(C)c1 ZINC000611174608 449201344 /nfs/dbraw/zinc/20/13/44/449201344.db2.gz ISTAZDCLMCMIDV-UHFFFAOYSA-N 1 2 342.487 1.802 20 30 EDEDLO CN(CCCOc1ccccc1)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611176227 449201704 /nfs/dbraw/zinc/20/17/04/449201704.db2.gz ZOPAPXKRJQUCBC-UHFFFAOYSA-N 1 2 344.459 1.445 20 30 EDEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595842685 449202787 /nfs/dbraw/zinc/20/27/87/449202787.db2.gz YSKJKUGVSIFEJO-SFHVURJKSA-N 1 2 334.464 1.327 20 30 EDEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595842685 449202791 /nfs/dbraw/zinc/20/27/91/449202791.db2.gz YSKJKUGVSIFEJO-SFHVURJKSA-N 1 2 334.464 1.327 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1nn(C)c2ccccc12 ZINC000611285808 449250585 /nfs/dbraw/zinc/25/05/85/449250585.db2.gz VKJMXJMDWDGXJD-CQSZACIVSA-N 1 2 347.426 1.946 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1nn(C)c2ccccc12 ZINC000611285808 449250590 /nfs/dbraw/zinc/25/05/90/449250590.db2.gz VKJMXJMDWDGXJD-CQSZACIVSA-N 1 2 347.426 1.946 20 30 EDEDLO C[C@]1(C#N)CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000596111721 449367105 /nfs/dbraw/zinc/36/71/05/449367105.db2.gz BOLRLZVJSDPTEH-QGZVFWFLSA-N 1 2 329.404 1.363 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000594260611 449416925 /nfs/dbraw/zinc/41/69/25/449416925.db2.gz JEYDXDKJEJXQAE-OAHLLOKOSA-N 1 2 329.444 1.964 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000594260611 449416929 /nfs/dbraw/zinc/41/69/29/449416929.db2.gz JEYDXDKJEJXQAE-OAHLLOKOSA-N 1 2 329.444 1.964 20 30 EDEDLO N#Cc1ccnc(NCC2CC[NH+](CC(F)F)CC2)c1[N+](=O)[O-] ZINC000596238751 449433405 /nfs/dbraw/zinc/43/34/05/449433405.db2.gz JBQPDISBSLWVTH-UHFFFAOYSA-N 1 2 325.319 2.250 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@H]2C[C@H]3C=C[C@@H]2C3)c1=O ZINC000600558551 449443763 /nfs/dbraw/zinc/44/37/63/449443763.db2.gz GRSFHOUTNCULNE-YXJHDRRASA-N 1 2 325.412 1.764 20 30 EDEDLO C[C@@H]1C[C@@H](Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)CCO1 ZINC000596285259 449455741 /nfs/dbraw/zinc/45/57/41/449455741.db2.gz LETZKZRKLWRICL-CABCVRRESA-N 1 2 331.416 1.367 20 30 EDEDLO CCC(C#N)(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600683336 449490351 /nfs/dbraw/zinc/49/03/51/449490351.db2.gz RXIJIHGBCBWVQM-INIZCTEOSA-N 1 2 330.432 1.729 20 30 EDEDLO CCC(C#N)(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600683336 449490360 /nfs/dbraw/zinc/49/03/60/449490360.db2.gz RXIJIHGBCBWVQM-INIZCTEOSA-N 1 2 330.432 1.729 20 30 EDEDLO N#Cc1ccc(-c2ccc(N3CCC[C@@H](C(N)=O)C3)[nH+]c2)c(CO)c1 ZINC000600779774 449544344 /nfs/dbraw/zinc/54/43/44/449544344.db2.gz FBKKGRQBMOLXEM-OAHLLOKOSA-N 1 2 336.395 1.814 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594403145 449495712 /nfs/dbraw/zinc/49/57/12/449495712.db2.gz FXBQUMYQYRUEDH-UHFFFAOYSA-N 1 2 342.443 1.510 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594403145 449495715 /nfs/dbraw/zinc/49/57/15/449495715.db2.gz FXBQUMYQYRUEDH-UHFFFAOYSA-N 1 2 342.443 1.510 20 30 EDEDLO C[C@@]1(C#N)CCCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000612162819 449593369 /nfs/dbraw/zinc/59/33/69/449593369.db2.gz MXPSCEYZPDYEMN-SFHVURJKSA-N 1 2 330.432 1.549 20 30 EDEDLO C=CCCn1cc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)nn1 ZINC000614468258 449629919 /nfs/dbraw/zinc/62/99/19/449629919.db2.gz ODNDHAIETUDABM-UHFFFAOYSA-N 1 2 345.407 1.153 20 30 EDEDLO C=CCOc1ccc(CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)cc1 ZINC000614503852 449650442 /nfs/dbraw/zinc/65/04/42/449650442.db2.gz PZPQMSKXHDBEFI-QGZVFWFLSA-N 1 2 329.444 1.300 20 30 EDEDLO C=CCOc1ccc(CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)cc1 ZINC000614503852 449650448 /nfs/dbraw/zinc/65/04/48/449650448.db2.gz PZPQMSKXHDBEFI-QGZVFWFLSA-N 1 2 329.444 1.300 20 30 EDEDLO N#Cc1nccnc1NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601178788 449735410 /nfs/dbraw/zinc/73/54/10/449735410.db2.gz ZDSXFQMMDDWJBH-UHFFFAOYSA-N 1 2 341.440 1.525 20 30 EDEDLO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC[S@]1=O ZINC000617565634 449693440 /nfs/dbraw/zinc/69/34/40/449693440.db2.gz ITIOIAKTANXZEW-GTAYFMOCSA-N 1 2 336.457 1.335 20 30 EDEDLO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC[S@]1=O ZINC000617565634 449693450 /nfs/dbraw/zinc/69/34/50/449693450.db2.gz ITIOIAKTANXZEW-GTAYFMOCSA-N 1 2 336.457 1.335 20 30 EDEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1 ZINC000602596403 449695298 /nfs/dbraw/zinc/69/52/98/449695298.db2.gz KMFLJLJHJMSTBL-KRWDZBQOSA-N 1 2 348.472 1.780 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1 ZINC000602596403 449695302 /nfs/dbraw/zinc/69/53/02/449695302.db2.gz KMFLJLJHJMSTBL-KRWDZBQOSA-N 1 2 348.472 1.780 20 30 EDEDLO CCc1nc(C#N)cc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000599184569 449784547 /nfs/dbraw/zinc/78/45/47/449784547.db2.gz HVGWYPGVSNGLLN-INIZCTEOSA-N 1 2 338.415 1.619 20 30 EDEDLO CCc1nc(C#N)cc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000599184569 449784553 /nfs/dbraw/zinc/78/45/53/449784553.db2.gz HVGWYPGVSNGLLN-INIZCTEOSA-N 1 2 338.415 1.619 20 30 EDEDLO CN(C)S(=O)(=O)N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596979092 449747504 /nfs/dbraw/zinc/74/75/04/449747504.db2.gz IHJPNUGUZBLBGF-UHFFFAOYSA-N 1 2 348.472 1.166 20 30 EDEDLO COc1ccc(N2C[C@H]([NH2+]Cc3nc(C#N)cs3)CC2=O)cc1 ZINC000594966211 449822266 /nfs/dbraw/zinc/82/22/66/449822266.db2.gz QQUNVIQPWLQYMW-LLVKDONJSA-N 1 2 328.397 1.918 20 30 EDEDLO CNS(=O)(=O)c1cccc([C@H](C)[NH+]2CCN(CCC#N)CC2)c1 ZINC000601315224 449824676 /nfs/dbraw/zinc/82/46/76/449824676.db2.gz HQASUKNMGBQUNZ-AWEZNQCLSA-N 1 2 336.461 1.187 20 30 EDEDLO COC(=O)c1ccccc1NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602855142 449862948 /nfs/dbraw/zinc/86/29/48/449862948.db2.gz SLJAVLQIUAOBLN-ZIAGYGMSSA-N 1 2 344.415 1.330 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1CC#N ZINC000602866227 449876642 /nfs/dbraw/zinc/87/66/42/449876642.db2.gz VIKKGASVLLZBSW-ZIAGYGMSSA-N 1 2 345.403 1.476 20 30 EDEDLO CCOc1cc(C[NH2+][C@@H](C)CC#N)nc2nc(C(F)(F)F)nn21 ZINC000602867431 449877600 /nfs/dbraw/zinc/87/76/00/449877600.db2.gz BWOKLVQAUZTYHD-QMMMGPOBSA-N 1 2 328.298 1.934 20 30 EDEDLO C[N@@H+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C(C)(C)C ZINC000602874169 449882973 /nfs/dbraw/zinc/88/29/73/449882973.db2.gz ORQPRMLRVFKSLP-QGZVFWFLSA-N 1 2 349.500 1.994 20 30 EDEDLO C[N@H+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C(C)(C)C ZINC000602874169 449882975 /nfs/dbraw/zinc/88/29/75/449882975.db2.gz ORQPRMLRVFKSLP-QGZVFWFLSA-N 1 2 349.500 1.994 20 30 EDEDLO N#CCCCCNC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597254460 449897327 /nfs/dbraw/zinc/89/73/27/449897327.db2.gz DGAZTWALKJHWDA-UHFFFAOYSA-N 1 2 329.404 1.108 20 30 EDEDLO C[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602975008 449976908 /nfs/dbraw/zinc/97/69/08/449976908.db2.gz XGSUHLSWLZPAHS-CABCVRRESA-N 1 2 344.415 1.188 20 30 EDEDLO C[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602975008 449976910 /nfs/dbraw/zinc/97/69/10/449976910.db2.gz XGSUHLSWLZPAHS-CABCVRRESA-N 1 2 344.415 1.188 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602978459 449978411 /nfs/dbraw/zinc/97/84/11/449978411.db2.gz QYAGXXPAZNYNJK-SWLSCSKDSA-N 1 2 330.388 1.967 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602978459 449978416 /nfs/dbraw/zinc/97/84/16/449978416.db2.gz QYAGXXPAZNYNJK-SWLSCSKDSA-N 1 2 330.388 1.967 20 30 EDEDLO Cc1nnc2n1C[C@H](CNc1[nH+]cnc3c1cnn3CCC#N)CC2 ZINC000609257416 449983336 /nfs/dbraw/zinc/98/33/36/449983336.db2.gz VSIPAKMAPFMQNJ-LBPRGKRZSA-N 1 2 337.391 1.314 20 30 EDEDLO C[C@H]1C[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)C1(F)F ZINC000599516250 450037489 /nfs/dbraw/zinc/03/74/89/450037489.db2.gz ZNOGJPPDCYHHEQ-RYUDHWBXSA-N 1 2 343.399 1.950 20 30 EDEDLO N#C[C@@]1(F)CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000615529284 450125533 /nfs/dbraw/zinc/12/55/33/450125533.db2.gz UVNWCDHMVXBVIB-AEFFLSMTSA-N 1 2 346.406 1.707 20 30 EDEDLO N#Cc1ccccc1OCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000603212360 450146491 /nfs/dbraw/zinc/14/64/91/450146491.db2.gz WWVINLOGVIUTKN-UHFFFAOYSA-N 1 2 327.388 1.103 20 30 EDEDLO CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678988 450146715 /nfs/dbraw/zinc/14/67/15/450146715.db2.gz NJDNVQOXHXHFMN-UHFFFAOYSA-N 1 2 337.427 1.503 20 30 EDEDLO CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678988 450146723 /nfs/dbraw/zinc/14/67/23/450146723.db2.gz NJDNVQOXHXHFMN-UHFFFAOYSA-N 1 2 337.427 1.503 20 30 EDEDLO Cn1cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000599666892 450139741 /nfs/dbraw/zinc/13/97/41/450139741.db2.gz ZIWZHTQSYMUUTC-INIZCTEOSA-N 1 2 339.399 1.035 20 30 EDEDLO Cn1cc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000599666892 450139747 /nfs/dbraw/zinc/13/97/47/450139747.db2.gz ZIWZHTQSYMUUTC-INIZCTEOSA-N 1 2 339.399 1.035 20 30 EDEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cnn(-c3ncccc3C#N)c1)CC2 ZINC000599763695 450202026 /nfs/dbraw/zinc/20/20/26/450202026.db2.gz VZCSYJAZVXRAIL-CYBMUJFWSA-N 1 2 347.382 1.845 20 30 EDEDLO N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC000615793527 450241133 /nfs/dbraw/zinc/24/11/33/450241133.db2.gz OFRLLRJZDPMJBG-CYBMUJFWSA-N 1 2 333.355 1.537 20 30 EDEDLO CCN(CCC#N)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000610557322 450259987 /nfs/dbraw/zinc/25/99/87/450259987.db2.gz GQPYEZVFRJCAON-UHFFFAOYSA-N 1 2 343.431 1.842 20 30 EDEDLO C[C@@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C[C@H]1n1cc[nH+]c1 ZINC000610732304 450315509 /nfs/dbraw/zinc/31/55/09/450315509.db2.gz VWXYGTHOWOFZMY-GDBMZVCRSA-N 1 2 330.436 1.464 20 30 EDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000619716536 450316983 /nfs/dbraw/zinc/31/69/83/450316983.db2.gz SQFYOXKAKTWSGE-HNNXBMFYSA-N 1 2 326.437 1.357 20 30 EDEDLO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@H](C)S1=O ZINC000616822440 450491512 /nfs/dbraw/zinc/49/15/12/450491512.db2.gz YZPFVKFHXMLXBK-IIAWOOMASA-N 1 2 336.457 1.334 20 30 EDEDLO N#CCc1ccccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000619572875 450508982 /nfs/dbraw/zinc/50/89/82/450508982.db2.gz XJGMJKMFZODHJG-OAHLLOKOSA-N 1 2 349.456 1.095 20 30 EDEDLO C=CC(C)(C)CCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633376571 450825865 /nfs/dbraw/zinc/82/58/65/450825865.db2.gz NXZZWFLLBQDABS-UHFFFAOYSA-N 1 2 331.464 1.949 20 30 EDEDLO C=CCOc1cccc(NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000632183190 451097482 /nfs/dbraw/zinc/09/74/82/451097482.db2.gz KCTNFBMAEMAOCX-HNNXBMFYSA-N 1 2 326.418 1.324 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)nn1 ZINC000640961476 451706587 /nfs/dbraw/zinc/70/65/87/451706587.db2.gz YKOBVYIHULMUPF-GFCCVEGCSA-N 1 2 343.353 1.192 20 30 EDEDLO C=CCN1CC[C@@H](n2cc(C[NH2+]Cc3ccc(F)cc3)nn2)C1=O ZINC000641109081 451752342 /nfs/dbraw/zinc/75/23/42/451752342.db2.gz OWQVYCNGNFMELL-MRXNPFEDSA-N 1 2 329.379 1.666 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CCCS(=O)(=O)c2ccc(C)cc2)nn1 ZINC000641133210 451758363 /nfs/dbraw/zinc/75/83/63/451758363.db2.gz SPHOUNDQGGIWHM-UHFFFAOYSA-N 1 2 346.456 1.563 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)nn1 ZINC000653604150 452037444 /nfs/dbraw/zinc/03/74/44/452037444.db2.gz GKRCRRWRDBPKQC-CYBMUJFWSA-N 1 2 349.460 1.613 20 30 EDEDLO C=CCCn1cc(CNc2cccc(C[N@@H+]3CCNC(=O)C3)c2)nn1 ZINC000657472036 452268600 /nfs/dbraw/zinc/26/86/00/452268600.db2.gz GMAQRHPBXFWWRR-UHFFFAOYSA-N 1 2 340.431 1.398 20 30 EDEDLO C=CCCn1cc(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)nn1 ZINC000657472036 452268609 /nfs/dbraw/zinc/26/86/09/452268609.db2.gz GMAQRHPBXFWWRR-UHFFFAOYSA-N 1 2 340.431 1.398 20 30 EDEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](CCc2cnccn2)CC1 ZINC000640102346 452425747 /nfs/dbraw/zinc/42/57/47/452425747.db2.gz YOMNYOKCFUBYEK-UHFFFAOYSA-N 1 2 331.464 1.061 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(CCc2cnccn2)CC1 ZINC000640102346 452425756 /nfs/dbraw/zinc/42/57/56/452425756.db2.gz YOMNYOKCFUBYEK-UHFFFAOYSA-N 1 2 331.464 1.061 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000666124296 452623334 /nfs/dbraw/zinc/62/33/34/452623334.db2.gz FTKNVZUMINJXGB-IYBDPMFKSA-N 1 2 345.447 1.930 20 30 EDEDLO C=CC[N@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)[C@H](C)COC ZINC000661245889 453773562 /nfs/dbraw/zinc/77/35/62/453773562.db2.gz DNBJJIJLGFJJPG-CYBMUJFWSA-N 1 2 341.415 1.604 20 30 EDEDLO C=CC[N@@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)[C@H](C)COC ZINC000661245889 453773563 /nfs/dbraw/zinc/77/35/63/453773563.db2.gz DNBJJIJLGFJJPG-CYBMUJFWSA-N 1 2 341.415 1.604 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)nn1 ZINC000657358922 453773729 /nfs/dbraw/zinc/77/37/29/453773729.db2.gz HVPWCQQUEOIWHN-HNNXBMFYSA-N 1 2 329.379 1.888 20 30 EDEDLO C#CCNC(=O)c1ccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)nc1 ZINC000491817498 486695232 /nfs/dbraw/zinc/69/52/32/486695232.db2.gz UUPAQSJGHHCBHR-UHFFFAOYSA-N 1 2 331.379 2.447 20 30 EDEDLO CC#CCCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000680452103 486780232 /nfs/dbraw/zinc/78/02/32/486780232.db2.gz SFGYJQGJXGDJCF-UHFFFAOYSA-N 1 2 328.416 1.609 20 30 EDEDLO CC#CCCNC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000681520826 487069138 /nfs/dbraw/zinc/06/91/38/487069138.db2.gz XCHYLRWDLHKQJP-MRXNPFEDSA-N 1 2 339.399 1.239 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1c(C)cc(C)nc1OC ZINC000598648787 485635109 /nfs/dbraw/zinc/63/51/09/485635109.db2.gz KSBVYDGSIUFWKQ-ZDUSSCGKSA-N 1 2 334.420 1.539 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1c(C)cc(C)nc1OC ZINC000598648787 485635119 /nfs/dbraw/zinc/63/51/19/485635119.db2.gz KSBVYDGSIUFWKQ-ZDUSSCGKSA-N 1 2 334.420 1.539 20 30 EDEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000668505283 485818201 /nfs/dbraw/zinc/81/82/01/485818201.db2.gz ZZHYJKLRZRPLNA-BZUAXINKSA-N 1 2 337.464 1.074 20 30 EDEDLO C#CCN(CC#CC)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000491767226 486588825 /nfs/dbraw/zinc/58/88/25/486588825.db2.gz IFDAOMVFBFQJDS-MRXNPFEDSA-N 1 2 340.427 1.475 20 30 EDEDLO N#CCCN(C(=O)CSCC[NH+]1CCOCC1)c1ccccc1 ZINC000159970510 534633379 /nfs/dbraw/zinc/63/33/79/534633379.db2.gz DLRNTLIHFNZGCL-UHFFFAOYSA-N 1 2 333.457 1.999 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000126123039 526623351 /nfs/dbraw/zinc/62/33/51/526623351.db2.gz VNLINYHFTIASPK-CQSZACIVSA-N 1 2 333.407 1.664 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000126123039 526623357 /nfs/dbraw/zinc/62/33/57/526623357.db2.gz VNLINYHFTIASPK-CQSZACIVSA-N 1 2 333.407 1.664 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159460315 527000312 /nfs/dbraw/zinc/00/03/12/527000312.db2.gz IHTREZUYJCXUJH-UHFFFAOYSA-N 1 2 335.477 1.097 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159460315 527000318 /nfs/dbraw/zinc/00/03/18/527000318.db2.gz IHTREZUYJCXUJH-UHFFFAOYSA-N 1 2 335.477 1.097 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000183816948 527093042 /nfs/dbraw/zinc/09/30/42/527093042.db2.gz OUFFCMJXNFSLHE-MAZHCROVSA-N 1 2 339.386 1.946 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000183816948 527093048 /nfs/dbraw/zinc/09/30/48/527093048.db2.gz OUFFCMJXNFSLHE-MAZHCROVSA-N 1 2 339.386 1.946 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(N3CCOC3=O)ccc2F)CC1 ZINC000741682244 579423786 /nfs/dbraw/zinc/42/37/86/579423786.db2.gz PPCIIXOPIFDNOF-UHFFFAOYSA-N 1 2 345.374 1.563 20 30 EDEDLO C#CCOc1ccc(C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)cc1 ZINC000741690485 579424242 /nfs/dbraw/zinc/42/42/42/579424242.db2.gz RBBHVFAYXWSKAI-UHFFFAOYSA-N 1 2 338.411 1.390 20 30 EDEDLO Cc1ccc2[nH+]c(CNc3ccc(S(N)(=O)=O)cc3C#N)cn2c1 ZINC000742396453 579450876 /nfs/dbraw/zinc/45/08/76/579450876.db2.gz UNRKLIPISHKRLT-UHFFFAOYSA-N 1 2 341.396 1.774 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000759439777 580005959 /nfs/dbraw/zinc/00/59/59/580005959.db2.gz YYEDNANEEUDLGQ-PCJMVEANSA-N 1 2 327.428 1.687 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000759439777 580005960 /nfs/dbraw/zinc/00/59/60/580005960.db2.gz YYEDNANEEUDLGQ-PCJMVEANSA-N 1 2 327.428 1.687 20 30 EDEDLO CC[C@H](C)NC(=O)CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725792025 578282057 /nfs/dbraw/zinc/28/20/57/578282057.db2.gz FWABQSOTQYETQC-AWEZNQCLSA-N 1 2 348.447 1.070 20 30 EDEDLO Cn1cc[nH+]c1CN=Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000727255964 578523723 /nfs/dbraw/zinc/52/37/23/578523723.db2.gz PUSSWYQELBWDKJ-UHFFFAOYSA-N 1 2 336.421 1.338 20 30 EDEDLO N#Cc1ccc(NCCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)nc1 ZINC000728744222 578551324 /nfs/dbraw/zinc/55/13/24/578551324.db2.gz RNCHFIHRFOLPKG-OAHLLOKOSA-N 1 2 339.403 1.608 20 30 EDEDLO C#Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)nc1 ZINC000728810009 578552263 /nfs/dbraw/zinc/55/22/63/578552263.db2.gz XIHLWXYFFBJKIS-UHFFFAOYSA-N 1 2 348.406 1.703 20 30 EDEDLO C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000729252497 578562302 /nfs/dbraw/zinc/56/23/02/578562302.db2.gz DJGQEMFRAUSKIB-LLVKDONJSA-N 1 2 344.327 1.628 20 30 EDEDLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000731156975 578669483 /nfs/dbraw/zinc/66/94/83/578669483.db2.gz QNITZQTYXNAHDA-AATRIKPKSA-N 1 2 347.396 1.327 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)nc1 ZINC000732165663 578695568 /nfs/dbraw/zinc/69/55/68/578695568.db2.gz OXWCRIXXNPELBY-IBGZPJMESA-N 1 2 349.434 1.736 20 30 EDEDLO CS(=O)(=O)CCNN=C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000733205136 578751875 /nfs/dbraw/zinc/75/18/75/578751875.db2.gz LJXLWYPOTAIQGH-UHFFFAOYSA-N 1 2 343.880 1.926 20 30 EDEDLO Cc1c(O)ccc2c(C[NH+]3CCN(CCC#N)CC3)cc(=O)oc12 ZINC000760944509 580042130 /nfs/dbraw/zinc/04/21/30/580042130.db2.gz RBBDUQSYCSLDAQ-UHFFFAOYSA-N 1 2 327.384 1.838 20 30 EDEDLO C=CCN1CC(=O)N(Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1=O ZINC000761001384 580044111 /nfs/dbraw/zinc/04/41/11/580044111.db2.gz FBYRIEMYJPHYCZ-ZDUSSCGKSA-N 1 2 330.388 1.257 20 30 EDEDLO Cc1nc(-c2nn[nH]n2)c(N=NCc2c[nH+]c3ccc(C#N)cn23)o1 ZINC000737467175 579094725 /nfs/dbraw/zinc/09/47/25/579094725.db2.gz MWKUKYWUIPLSFI-UHFFFAOYSA-N 1 2 334.303 1.129 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000788086319 579139596 /nfs/dbraw/zinc/13/95/96/579139596.db2.gz ZPRAUWALKNOYBM-ZDUSSCGKSA-N 1 2 335.379 1.795 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000788086319 579139597 /nfs/dbraw/zinc/13/95/97/579139597.db2.gz ZPRAUWALKNOYBM-ZDUSSCGKSA-N 1 2 335.379 1.795 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1CN1CCc2c([nH+]cn2C)C1 ZINC000739858717 579260805 /nfs/dbraw/zinc/26/08/05/579260805.db2.gz PVSSCKLXNDHMKU-UHFFFAOYSA-N 1 2 333.399 1.875 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)CC1 ZINC000744422425 579510280 /nfs/dbraw/zinc/51/02/80/579510280.db2.gz PLNMZRPIHDGEBH-GOSISDBHSA-N 1 2 327.428 1.340 20 30 EDEDLO CCN(CCC#N)C(=O)COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000745097565 579538474 /nfs/dbraw/zinc/53/84/74/579538474.db2.gz GFIUCHUNZCHMOD-QGZVFWFLSA-N 1 2 331.416 1.985 20 30 EDEDLO CCN(CCC#N)C(=O)COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000745097565 579538475 /nfs/dbraw/zinc/53/84/75/579538475.db2.gz GFIUCHUNZCHMOD-QGZVFWFLSA-N 1 2 331.416 1.985 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000747327544 579638316 /nfs/dbraw/zinc/63/83/16/579638316.db2.gz STRBVEXCCVFONQ-CQSZACIVSA-N 1 2 349.438 1.896 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000750132637 579752956 /nfs/dbraw/zinc/75/29/56/579752956.db2.gz BRDYGELVMYQYCN-CVEARBPZSA-N 1 2 345.830 1.659 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000750132637 579752957 /nfs/dbraw/zinc/75/29/57/579752957.db2.gz BRDYGELVMYQYCN-CVEARBPZSA-N 1 2 345.830 1.659 20 30 EDEDLO COC[C@H]1CCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000752328470 579845865 /nfs/dbraw/zinc/84/58/65/579845865.db2.gz ZWFOFHGQDVBUHA-OCCSQVGLSA-N 1 2 340.383 1.622 20 30 EDEDLO COC[C@H]1CCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000752328470 579845866 /nfs/dbraw/zinc/84/58/66/579845866.db2.gz ZWFOFHGQDVBUHA-OCCSQVGLSA-N 1 2 340.383 1.622 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC000754305634 579901055 /nfs/dbraw/zinc/90/10/55/579901055.db2.gz XFUDBHJSZVATGT-FUMRIQNTSA-N 1 2 331.441 1.094 20 30 EDEDLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C1CCOCC1 ZINC000755195314 579922503 /nfs/dbraw/zinc/92/25/03/579922503.db2.gz ZVTRTWGZWHTLMV-SJORKVTESA-N 1 2 332.400 1.540 20 30 EDEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccc(C(=O)OC)cc1OC ZINC000756902053 579959919 /nfs/dbraw/zinc/95/99/19/579959919.db2.gz BXJHIMHIQMXTLW-UHFFFAOYSA-N 1 2 346.343 1.828 20 30 EDEDLO CCc1ccc(CCC=NNC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000758074227 579975171 /nfs/dbraw/zinc/97/51/71/579975171.db2.gz QECJVRFUBZAICA-UHFFFAOYSA-N 1 2 348.516 1.964 20 30 EDEDLO CC1(C)NC(=O)N(CCCO[NH+]=C(N)c2ccc(Cl)cc2)C1=O ZINC000758408501 579981869 /nfs/dbraw/zinc/98/18/69/579981869.db2.gz OUVIGKYPNMISQZ-UHFFFAOYSA-N 1 2 338.795 1.697 20 30 EDEDLO COc1nc(N(C)C)sc1C=[NH+][N-]c1ccc(-n2cc[nH+]c2)nn1 ZINC000761837999 580062543 /nfs/dbraw/zinc/06/25/43/580062543.db2.gz UNDQMVCGPASZIN-UHFFFAOYSA-N 1 2 344.404 1.639 20 30 EDEDLO NC(=[NH+]OCCOCCO)c1ccc(OCc2ccccc2)cc1 ZINC000763426761 580100069 /nfs/dbraw/zinc/10/00/69/580100069.db2.gz NQHJKMKNBDUQLP-UHFFFAOYSA-N 1 2 330.384 1.911 20 30 EDEDLO C=CC[C@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccncc1 ZINC000765498037 580144027 /nfs/dbraw/zinc/14/40/27/580144027.db2.gz HCUUKLWJQLJILR-INIZCTEOSA-N 1 2 330.432 1.863 20 30 EDEDLO CCOC(C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1)OCC ZINC000767795418 580199869 /nfs/dbraw/zinc/19/98/69/580199869.db2.gz DRYMTTRRFDTFMT-UHFFFAOYSA-N 1 2 334.420 1.945 20 30 EDEDLO Cc1cc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)nn1C ZINC000767828802 580201318 /nfs/dbraw/zinc/20/13/18/580201318.db2.gz SMWDQMKTBDOQSF-UHFFFAOYSA-N 1 2 343.431 1.398 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000769320455 580233627 /nfs/dbraw/zinc/23/36/27/580233627.db2.gz PPTZRVPLHSFZKN-UHFFFAOYSA-N 1 2 340.254 1.860 20 30 EDEDLO N#Cc1c(Cl)nsc1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000771206198 580282401 /nfs/dbraw/zinc/28/24/01/580282401.db2.gz SPGVRXTYGBNDKO-UHFFFAOYSA-N 1 2 338.824 1.940 20 30 EDEDLO C=CC[N@@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000771639314 580290997 /nfs/dbraw/zinc/29/09/97/580290997.db2.gz HCKKPHYYKCVAEV-UHFFFAOYSA-N 1 2 330.344 1.971 20 30 EDEDLO C=CC[N@H+](CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)C1CC1 ZINC000771639314 580290998 /nfs/dbraw/zinc/29/09/98/580290998.db2.gz HCKKPHYYKCVAEV-UHFFFAOYSA-N 1 2 330.344 1.971 20 30 EDEDLO COc1cc(C=NNC(=S)NCC[NH+]2CCOCC2)ccc1C ZINC000773005753 580325068 /nfs/dbraw/zinc/32/50/68/580325068.db2.gz MIRUPITXFCYHJI-UHFFFAOYSA-N 1 2 336.461 1.134 20 30 EDEDLO C#C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H]1CCCO1 ZINC000775789343 580400460 /nfs/dbraw/zinc/40/04/60/580400460.db2.gz BJSBABZSTLHHHW-GJZGRUSLSA-N 1 2 338.429 1.335 20 30 EDEDLO COc1ccc(N[NH+]=Cc2c(OC)nc(N)nc2N2CCCC2)nc1 ZINC000780267205 580517279 /nfs/dbraw/zinc/51/72/79/580517279.db2.gz HWMPSXNIADGGNQ-UHFFFAOYSA-N 1 2 343.391 1.517 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(CCCO)CC1 ZINC000782536039 580577068 /nfs/dbraw/zinc/57/70/68/580577068.db2.gz DVFNYERHHIJQSC-UHFFFAOYSA-N 1 2 340.427 1.905 20 30 EDEDLO CC[C@H]1CCC[C@@H](C=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000783793767 580606529 /nfs/dbraw/zinc/60/65/29/580606529.db2.gz CDNABZAYSSPNDC-LSDHHAIUSA-N 1 2 326.510 1.985 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)[nH+]1 ZINC000789598420 580750287 /nfs/dbraw/zinc/75/02/87/580750287.db2.gz ZPSOCMBCCCKPRT-UHFFFAOYSA-N 1 2 345.750 1.173 20 30 EDEDLO COCCN(C)c1ccc(CN=Nc2ncccc2[N+](=O)[O-])c[nH+]1 ZINC000790166806 580763797 /nfs/dbraw/zinc/76/37/97/580763797.db2.gz UZOZHCSJAPSTCZ-UHFFFAOYSA-N 1 2 330.348 1.913 20 30 EDEDLO C[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000790792933 580779035 /nfs/dbraw/zinc/77/90/35/580779035.db2.gz DYUKSPYDSJXETH-SWLSCSKDSA-N 1 2 340.345 1.892 20 30 EDEDLO C[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000790792933 580779036 /nfs/dbraw/zinc/77/90/36/580779036.db2.gz DYUKSPYDSJXETH-SWLSCSKDSA-N 1 2 340.345 1.892 20 30 EDEDLO N#Cc1c(=O)n(C[NH+]2CCC3(CNC(=O)C3)CC2)cc2c1CCCC2 ZINC000793502779 580846190 /nfs/dbraw/zinc/84/61/90/580846190.db2.gz DYVVKWCOZCTITJ-UHFFFAOYSA-N 1 2 340.427 1.158 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)O[C@@H](C)CC#N)[C@@H]1c1c[nH+]cn1C ZINC000796707729 580960179 /nfs/dbraw/zinc/96/01/79/580960179.db2.gz FMZIXGWSQVPOPU-WOSRLPQWSA-N 1 2 332.404 1.955 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000798198157 580990481 /nfs/dbraw/zinc/99/04/81/580990481.db2.gz WTTZFQJSRXAVLJ-QHCPKHFHSA-N 1 2 334.401 1.307 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000798355088 580995129 /nfs/dbraw/zinc/99/51/29/580995129.db2.gz STIPSOORVSASSD-XJKSGUPXSA-N 1 2 344.390 1.722 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@@H](c3ccccn3)CC2=O)C1=O ZINC000799142673 581018621 /nfs/dbraw/zinc/01/86/21/581018621.db2.gz ZIBXWICOXBNELC-GOEBONIOSA-N 1 2 328.416 1.074 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@@H](c3ccccn3)CC2=O)C1=O ZINC000799142673 581018622 /nfs/dbraw/zinc/01/86/22/581018622.db2.gz ZIBXWICOXBNELC-GOEBONIOSA-N 1 2 328.416 1.074 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@H](c3cccnc3)CC2=O)C1=O ZINC000799143642 581018722 /nfs/dbraw/zinc/01/87/22/581018722.db2.gz NDMNHBBIIJDFDO-CVEARBPZSA-N 1 2 328.416 1.074 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@H](c3cccnc3)CC2=O)C1=O ZINC000799143642 581018723 /nfs/dbraw/zinc/01/87/23/581018723.db2.gz NDMNHBBIIJDFDO-CVEARBPZSA-N 1 2 328.416 1.074 20 30 EDEDLO CCCCCCCS(=O)(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000799779075 581036621 /nfs/dbraw/zinc/03/66/21/581036621.db2.gz PYHQFAWMNVTATB-HNNXBMFYSA-N 1 2 348.509 1.856 20 30 EDEDLO COc1c(C)c[nH+]c(CNS(=O)(=O)N(C)C[C@H](C)C#N)c1C ZINC000800035910 581041127 /nfs/dbraw/zinc/04/11/27/581041127.db2.gz LKOLPTJGHMWKFM-SNVBAGLBSA-N 1 2 326.422 1.133 20 30 EDEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cn1cccc(C#N)c1=O ZINC000800850916 581059670 /nfs/dbraw/zinc/05/96/70/581059670.db2.gz CQMRFGLZLHLWBQ-UHFFFAOYSA-N 1 2 344.440 1.686 20 30 EDEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cn1cccc(C#N)c1=O ZINC000800850916 581059671 /nfs/dbraw/zinc/05/96/71/581059671.db2.gz CQMRFGLZLHLWBQ-UHFFFAOYSA-N 1 2 344.440 1.686 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801553388 581079553 /nfs/dbraw/zinc/07/95/53/581079553.db2.gz UJMICUFWNIVKQO-CQSZACIVSA-N 1 2 338.415 1.026 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)cc(N2CCOCC2)c1 ZINC000890884873 590831599 /nfs/dbraw/zinc/83/15/99/590831599.db2.gz ABAXJOZVUODZRA-KRWDZBQOSA-N 1 2 334.395 1.236 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccccc1N1CCCC1=O ZINC000890887720 590834627 /nfs/dbraw/zinc/83/46/27/590834627.db2.gz SQZSEQUYAHWPIU-GOSISDBHSA-N 1 2 328.416 1.316 20 30 EDEDLO C#CCCCc1nnc(N2CCn3cc[nH+]c3C2)n1CCCOCC ZINC000909366291 590889432 /nfs/dbraw/zinc/88/94/32/590889432.db2.gz QHCKUHJJKIAZSA-UHFFFAOYSA-N 1 2 342.447 1.877 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)/C=C\c2ccccc2C#N)C[N@@H+]1C ZINC000893564967 590963454 /nfs/dbraw/zinc/96/34/54/590963454.db2.gz CZWRNEGEUZELSQ-VFGATPKVSA-N 1 2 328.368 1.750 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)/C=C\c2ccccc2C#N)C[N@H+]1C ZINC000893564967 590963455 /nfs/dbraw/zinc/96/34/55/590963455.db2.gz CZWRNEGEUZELSQ-VFGATPKVSA-N 1 2 328.368 1.750 20 30 EDEDLO COc1nccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1F ZINC000893599249 591000509 /nfs/dbraw/zinc/00/05/09/591000509.db2.gz ZGJSTHIICDCLGI-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1csc(C#N)c1 ZINC000893644697 591033749 /nfs/dbraw/zinc/03/37/49/591033749.db2.gz YTOOSKXXCRWOED-UHFFFAOYSA-N 1 2 325.434 1.939 20 30 EDEDLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1csc(C#N)c1 ZINC000893644697 591033752 /nfs/dbraw/zinc/03/37/52/591033752.db2.gz YTOOSKXXCRWOED-UHFFFAOYSA-N 1 2 325.434 1.939 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891394279 591066439 /nfs/dbraw/zinc/06/64/39/591066439.db2.gz BZCBRBMVPORQNP-JKSUJKDBSA-N 1 2 341.427 1.168 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000891607654 591146156 /nfs/dbraw/zinc/14/61/56/591146156.db2.gz VWGIGIYJMLZQOJ-CQSZACIVSA-N 1 2 333.819 1.801 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000891607654 591146158 /nfs/dbraw/zinc/14/61/58/591146158.db2.gz VWGIGIYJMLZQOJ-CQSZACIVSA-N 1 2 333.819 1.801 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CCC)cc2)C1 ZINC000891607155 591147257 /nfs/dbraw/zinc/14/72/57/591147257.db2.gz RIGJHHAFFARBNU-KRWDZBQOSA-N 1 2 327.428 1.791 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CCC)cc2)C1 ZINC000891607155 591147260 /nfs/dbraw/zinc/14/72/60/591147260.db2.gz RIGJHHAFFARBNU-KRWDZBQOSA-N 1 2 327.428 1.791 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CCC)cc2)C1 ZINC000891607156 591147348 /nfs/dbraw/zinc/14/73/48/591147348.db2.gz RIGJHHAFFARBNU-QGZVFWFLSA-N 1 2 327.428 1.791 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(CCC)cc2)C1 ZINC000891607156 591147350 /nfs/dbraw/zinc/14/73/50/591147350.db2.gz RIGJHHAFFARBNU-QGZVFWFLSA-N 1 2 327.428 1.791 20 30 EDEDLO CC(C)c1c[nH]c(CN2CCN(c3nccnc3C#N)C[C@@H]2C)[nH+]1 ZINC000894094872 591191789 /nfs/dbraw/zinc/19/17/89/591191789.db2.gz NQYXDAKZBXXBDH-ZDUSSCGKSA-N 1 2 325.420 1.905 20 30 EDEDLO C#CCSCC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000895891825 591298489 /nfs/dbraw/zinc/29/84/89/591298489.db2.gz DUQBVAWDRUEDLQ-UHFFFAOYSA-N 1 2 348.468 1.380 20 30 EDEDLO N#Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000866941339 591353309 /nfs/dbraw/zinc/35/33/09/591353309.db2.gz DOZGFLKODODXHW-LBPRGKRZSA-N 1 2 334.376 1.989 20 30 EDEDLO COc1ccc(-n2cc(C[NH+]3CCN(C(=O)CC#N)CC3)cn2)cc1 ZINC000895065918 591560358 /nfs/dbraw/zinc/56/03/58/591560358.db2.gz HHLKKRGCLLLQPS-UHFFFAOYSA-N 1 2 339.399 1.439 20 30 EDEDLO CCOc1c(OC)cc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1OC ZINC000895066599 591561140 /nfs/dbraw/zinc/56/11/40/591561140.db2.gz VOKPZYXDGKJXAN-UHFFFAOYSA-N 1 2 347.415 1.660 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CCc3[nH+]cc(Br)n3C2)nc1N ZINC000897759568 591646660 /nfs/dbraw/zinc/64/66/60/591646660.db2.gz SMTRZAKKGVPMKD-SECBINFHSA-N 1 2 333.193 1.921 20 30 EDEDLO C[N@@H+]1CCOC[C@@]1(CO)CNc1nc(C(F)(F)F)ccc1C#N ZINC000895609474 591821568 /nfs/dbraw/zinc/82/15/68/591821568.db2.gz CJWDMQKBVBOIGZ-ZDUSSCGKSA-N 1 2 330.310 1.077 20 30 EDEDLO C[N@H+]1CCOC[C@@]1(CO)CNc1nc(C(F)(F)F)ccc1C#N ZINC000895609474 591821570 /nfs/dbraw/zinc/82/15/70/591821570.db2.gz CJWDMQKBVBOIGZ-ZDUSSCGKSA-N 1 2 330.310 1.077 20 30 EDEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CN2C[C@H]3C[C@H]3C2=O)CC1 ZINC000902097269 591917472 /nfs/dbraw/zinc/91/74/72/591917472.db2.gz NSBJVJWWMAAKHI-RHSMWYFYSA-N 1 2 347.422 1.664 20 30 EDEDLO COC(=O)c1cn(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)nn1 ZINC000902590577 592015607 /nfs/dbraw/zinc/01/56/07/592015607.db2.gz YRQHEUQUBNNZQK-UHFFFAOYSA-N 1 2 325.372 1.773 20 30 EDEDLO C[C@@H](NC(=O)C(F)(F)c1ccccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000900592739 592062791 /nfs/dbraw/zinc/06/27/91/592062791.db2.gz LTKYGHMVPYVDNL-OLZOCXBDSA-N 1 2 337.370 1.875 20 30 EDEDLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000903007110 592100354 /nfs/dbraw/zinc/10/03/54/592100354.db2.gz VRCLKIKZIPKOIF-UHFFFAOYSA-N 1 2 325.409 1.601 20 30 EDEDLO C=CC[C@H](NC(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1)c1ccncc1 ZINC000906705130 592277605 /nfs/dbraw/zinc/27/76/05/592277605.db2.gz OEINCXASYRMJFH-GJZGRUSLSA-N 1 2 342.399 1.683 20 30 EDEDLO C=CC[C@H](NC(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1)c1ccncc1 ZINC000906705130 592277609 /nfs/dbraw/zinc/27/76/09/592277609.db2.gz OEINCXASYRMJFH-GJZGRUSLSA-N 1 2 342.399 1.683 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)nc1 ZINC000906828844 592356857 /nfs/dbraw/zinc/35/68/57/592356857.db2.gz PKCZZWDLVIQQGU-UHFFFAOYSA-N 1 2 342.424 1.290 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)nc1 ZINC000906828844 592356863 /nfs/dbraw/zinc/35/68/63/592356863.db2.gz PKCZZWDLVIQQGU-UHFFFAOYSA-N 1 2 342.424 1.290 20 30 EDEDLO C=CCCC[C@@H]1NC(=O)N(Cc2ccc(N3CCOCC3)[nH+]c2)C1=O ZINC000904135214 592433941 /nfs/dbraw/zinc/43/39/41/592433941.db2.gz WUIQXGLLOOQVPJ-HNNXBMFYSA-N 1 2 344.415 1.695 20 30 EDEDLO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCC[NH+]1CCOCC1 ZINC000905149462 592439351 /nfs/dbraw/zinc/43/93/51/592439351.db2.gz SUNOAACSJWVOOV-UHFFFAOYSA-N 1 2 330.432 1.511 20 30 EDEDLO C=CC[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)C(=O)OC ZINC000901728110 592446485 /nfs/dbraw/zinc/44/64/85/592446485.db2.gz KVJSLRIOPTWVEZ-UWVGGRQHSA-N 1 2 328.210 1.668 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000906997929 592468977 /nfs/dbraw/zinc/46/89/77/592468977.db2.gz IMECIYCUPIQMHL-QGZVFWFLSA-N 1 2 348.468 1.543 20 30 EDEDLO COC(=O)C[C@@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C[C@H]1C ZINC000905711540 592620310 /nfs/dbraw/zinc/62/03/10/592620310.db2.gz HOMKNSKSEOKRSA-TZMCWYRMSA-N 1 2 329.400 1.297 20 30 EDEDLO COC(=O)C[C@@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C[C@H]1C ZINC000905711540 592620311 /nfs/dbraw/zinc/62/03/11/592620311.db2.gz HOMKNSKSEOKRSA-TZMCWYRMSA-N 1 2 329.400 1.297 20 30 EDEDLO C#C[C@H](C)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000907491051 592670905 /nfs/dbraw/zinc/67/09/05/592670905.db2.gz ICTDSCQFBLNPIX-ZDUSSCGKSA-N 1 2 335.835 1.836 20 30 EDEDLO N#Cc1sccc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000909878368 592705350 /nfs/dbraw/zinc/70/53/50/592705350.db2.gz JDZQGRLILLDRNL-UHFFFAOYSA-N 1 2 335.429 1.231 20 30 EDEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@H+](C)C[C@H](C)O2)n1CCOC ZINC000909164989 592758196 /nfs/dbraw/zinc/75/81/96/592758196.db2.gz JQHRPBJLCLBQIY-ARFHVFGLSA-N 1 2 347.463 1.308 20 30 EDEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@@H+](C)C[C@H](C)O2)n1CCOC ZINC000909164989 592758199 /nfs/dbraw/zinc/75/81/99/592758199.db2.gz JQHRPBJLCLBQIY-ARFHVFGLSA-N 1 2 347.463 1.308 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC=CCCC2)CC1 ZINC000906579278 592857167 /nfs/dbraw/zinc/85/71/67/592857167.db2.gz BZXWWPSHZDCGOA-KRWDZBQOSA-N 1 2 331.460 1.407 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC=CCCC2)CC1 ZINC000906579278 592857168 /nfs/dbraw/zinc/85/71/68/592857168.db2.gz BZXWWPSHZDCGOA-KRWDZBQOSA-N 1 2 331.460 1.407 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000910841887 592895805 /nfs/dbraw/zinc/89/58/05/592895805.db2.gz MPDOGQHMTYYXSQ-GUYCJALGSA-N 1 2 329.404 1.236 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838589926 593194533 /nfs/dbraw/zinc/19/45/33/593194533.db2.gz UFZVFVJHDHRVSH-GBESFXJTSA-N 1 2 341.455 1.783 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838589926 593194534 /nfs/dbraw/zinc/19/45/34/593194534.db2.gz UFZVFVJHDHRVSH-GBESFXJTSA-N 1 2 341.455 1.783 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(COC)n2Cc2ccccc2)CC1 ZINC000802169050 593227360 /nfs/dbraw/zinc/22/73/60/593227360.db2.gz VWSXIQCWDLDXRE-UHFFFAOYSA-N 1 2 325.416 1.228 20 30 EDEDLO C[C@@H](C#N)OCCON=C(N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000802728631 593272972 /nfs/dbraw/zinc/27/29/72/593272972.db2.gz JMIOLDBEXHYYJU-HNNXBMFYSA-N 1 2 331.420 1.236 20 30 EDEDLO C=C(C)[C@H](CO)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000808772841 593287115 /nfs/dbraw/zinc/28/71/15/593287115.db2.gz MAKNEGKEDOMZGO-HOTGVXAUSA-N 1 2 339.480 1.550 20 30 EDEDLO N#Cc1ncn(CC[NH2+]Cc2nc3ccccn3c2Br)n1 ZINC000809706761 593356298 /nfs/dbraw/zinc/35/62/98/593356298.db2.gz JVQDUCFTZJZOEY-UHFFFAOYSA-N 1 2 346.192 1.350 20 30 EDEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000758245512 593398870 /nfs/dbraw/zinc/39/88/70/593398870.db2.gz HLSNDISGQBJPHN-WNSKOXEYSA-N 1 2 345.509 1.480 20 30 EDEDLO Cc1noc(C2(C)CC[NH+](Cn3ccc(C)c(C#N)c3=O)CC2)n1 ZINC000758245720 593399024 /nfs/dbraw/zinc/39/90/24/593399024.db2.gz AEWSVPZKMBFEGQ-UHFFFAOYSA-N 1 2 327.388 1.731 20 30 EDEDLO C[C@@H]1C[C@H]1CN=Nc1ncccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000758370168 593402192 /nfs/dbraw/zinc/40/21/92/593402192.db2.gz MDUSNJCPQFZZLB-OLZOCXBDSA-N 1 2 337.449 1.071 20 30 EDEDLO C=CCCCNC(=O)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000804317119 593404253 /nfs/dbraw/zinc/40/42/53/593404253.db2.gz SISNOSIGWMKQSI-UHFFFAOYSA-N 1 2 345.443 1.863 20 30 EDEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804332869 593405196 /nfs/dbraw/zinc/40/51/96/593405196.db2.gz CYQYKLAMESODCF-SJCJKPOMSA-N 1 2 332.404 1.576 20 30 EDEDLO C#CCC1(C(=O)N2CC[NH+](C(COC)COC)CC2)CCCCC1 ZINC000839802296 593458483 /nfs/dbraw/zinc/45/84/83/593458483.db2.gz OHWLBDGSCBCQEQ-UHFFFAOYSA-N 1 2 336.476 1.766 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2CC[C@H](Cc3ccccc3)C2=O)C1=O ZINC000811770707 593481020 /nfs/dbraw/zinc/48/10/20/593481020.db2.gz GCHWBZHANPLPER-QZTJIDSGSA-N 1 2 341.455 1.754 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2CC[C@H](Cc3ccccc3)C2=O)C1=O ZINC000811770707 593481021 /nfs/dbraw/zinc/48/10/21/593481021.db2.gz GCHWBZHANPLPER-QZTJIDSGSA-N 1 2 341.455 1.754 20 30 EDEDLO CC(N=Nc1ccc(S(=O)(=O)NC2CC2)cn1)c1ccc(N)[nH+]c1 ZINC000814799055 593603402 /nfs/dbraw/zinc/60/34/02/593603402.db2.gz XASFKYTZNXUVGB-UHFFFAOYSA-N 1 2 346.416 1.336 20 30 EDEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccccc1S(=O)(=O)N(C)C ZINC000814940439 593607799 /nfs/dbraw/zinc/60/77/99/593607799.db2.gz XFFKNLAMOJCNNY-UHFFFAOYSA-N 1 2 336.421 1.007 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000815594693 593643626 /nfs/dbraw/zinc/64/36/26/593643626.db2.gz WECFJODPHSQBLJ-KRWDZBQOSA-N 1 2 325.412 1.207 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820012159 593783148 /nfs/dbraw/zinc/78/31/48/593783148.db2.gz VEIXPIKWYUOABY-INIZCTEOSA-N 1 2 343.410 1.672 20 30 EDEDLO C#C[C@H](C)NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000820436327 593819012 /nfs/dbraw/zinc/81/90/12/593819012.db2.gz VMQUFJDSRRPQOO-DLBZAZTESA-N 1 2 329.444 1.941 20 30 EDEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000821391547 594035789 /nfs/dbraw/zinc/03/57/89/594035789.db2.gz NXIOOBVTDREQLT-GFCCVEGCSA-N 1 2 342.355 1.634 20 30 EDEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824777043 594073042 /nfs/dbraw/zinc/07/30/42/594073042.db2.gz GZYWQLAVEMRGKL-UHFFFAOYSA-N 1 2 325.376 1.431 20 30 EDEDLO O=C(C#Cc1cccs1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000825389205 594177203 /nfs/dbraw/zinc/17/72/03/594177203.db2.gz KMYAMAOKMOHZHZ-MRXNPFEDSA-N 1 2 336.482 1.424 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)N(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000823305245 594182987 /nfs/dbraw/zinc/18/29/87/594182987.db2.gz GSIIDQGKACLWRR-AWEZNQCLSA-N 1 2 335.448 1.552 20 30 EDEDLO C#CCN(CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000826003908 594303228 /nfs/dbraw/zinc/30/32/28/594303228.db2.gz ZOMKAHDXKGDCFU-HNNXBMFYSA-N 1 2 346.431 1.917 20 30 EDEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000828555152 594451046 /nfs/dbraw/zinc/45/10/46/594451046.db2.gz PPRDXSGJDCDJJA-LLVKDONJSA-N 1 2 326.322 1.844 20 30 EDEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000828555152 594451047 /nfs/dbraw/zinc/45/10/47/594451047.db2.gz PPRDXSGJDCDJJA-LLVKDONJSA-N 1 2 326.322 1.844 20 30 EDEDLO C[N@H+](CCCO)C1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000830777108 594474821 /nfs/dbraw/zinc/47/48/21/594474821.db2.gz OKGZPXGQSSNKOV-QGZVFWFLSA-N 1 2 331.416 1.463 20 30 EDEDLO C[N@@H+](CCCO)C1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000830777108 594474823 /nfs/dbraw/zinc/47/48/23/594474823.db2.gz OKGZPXGQSSNKOV-QGZVFWFLSA-N 1 2 331.416 1.463 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1 ZINC000826550804 594523428 /nfs/dbraw/zinc/52/34/28/594523428.db2.gz WJRPFULMNLLUPH-IAGOWNOFSA-N 1 2 345.487 1.487 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1 ZINC000826550804 594523429 /nfs/dbraw/zinc/52/34/29/594523429.db2.gz WJRPFULMNLLUPH-IAGOWNOFSA-N 1 2 345.487 1.487 20 30 EDEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CSCC#N)C2)cc1 ZINC000826603205 594538022 /nfs/dbraw/zinc/53/80/22/594538022.db2.gz BZMAICHWORMSBL-MRXNPFEDSA-N 1 2 333.457 1.569 20 30 EDEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CSCC#N)C2)cc1 ZINC000826603205 594538024 /nfs/dbraw/zinc/53/80/24/594538024.db2.gz BZMAICHWORMSBL-MRXNPFEDSA-N 1 2 333.457 1.569 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC(C)(C(N)=O)C2)cc1 ZINC000829050760 594557935 /nfs/dbraw/zinc/55/79/35/594557935.db2.gz ATGFZTHAOUJBMN-AWEZNQCLSA-N 1 2 328.416 1.437 20 30 EDEDLO C#Cc1cnc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)nc1 ZINC000827342041 594662940 /nfs/dbraw/zinc/66/29/40/594662940.db2.gz CQHGLHADZCFNEO-UHFFFAOYSA-N 1 2 335.411 1.973 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)n2)C1 ZINC000832392926 594747044 /nfs/dbraw/zinc/74/70/44/594747044.db2.gz BSEVHEJZEQJEKH-GFCCVEGCSA-N 1 2 338.371 1.031 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC2(C1)OCCO2 ZINC000104081119 594835387 /nfs/dbraw/zinc/83/53/87/594835387.db2.gz BSSXVRKTCPHVTD-NSHDSACASA-N 1 2 335.791 1.987 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC2(C1)OCCO2 ZINC000104081119 594835389 /nfs/dbraw/zinc/83/53/89/594835389.db2.gz BSSXVRKTCPHVTD-NSHDSACASA-N 1 2 335.791 1.987 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000835831510 594880370 /nfs/dbraw/zinc/88/03/70/594880370.db2.gz ORRVWSSASXHLPZ-OCCSQVGLSA-N 1 2 332.404 1.244 20 30 EDEDLO CCn1c[nH+]cc1C=NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000841611783 594928962 /nfs/dbraw/zinc/92/89/62/594928962.db2.gz AYUJGLJKDIAWSY-KRWDZBQOSA-N 1 2 341.371 1.713 20 30 EDEDLO NC(=NOCCc1cscn1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842025505 595004762 /nfs/dbraw/zinc/00/47/62/595004762.db2.gz WYHVCAMWVRFBTK-UHFFFAOYSA-N 1 2 346.456 1.855 20 30 EDEDLO N#Cc1cnc(CO[NH+]=C(N)c2ccc(N3CCCCC3)nc2)nc1 ZINC000842027970 595005364 /nfs/dbraw/zinc/00/53/64/595005364.db2.gz XUWUCBINPNLHDV-UHFFFAOYSA-N 1 2 337.387 1.780 20 30 EDEDLO CC(C)[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)N1CCCC1 ZINC000842034958 595006078 /nfs/dbraw/zinc/00/60/78/595006078.db2.gz GFBBWSSDOMYPFW-INIZCTEOSA-N 1 2 331.416 1.905 20 30 EDEDLO NC(C[NH+]1CCSCC1)=NOCC(=O)Nc1cc(F)cc(F)c1 ZINC000121477622 595015914 /nfs/dbraw/zinc/01/59/14/595015914.db2.gz WXANKDUCYNRLDI-UHFFFAOYSA-N 1 2 344.387 1.241 20 30 EDEDLO C#CC[C@H]1NC(=O)N([C@H](C[NH+]2CCOCC2)c2ccccc2)C1=O ZINC000842235693 595047965 /nfs/dbraw/zinc/04/79/65/595047965.db2.gz MLXRWIMRFHQGBA-HZPDHXFCSA-N 1 2 327.384 1.004 20 30 EDEDLO CC(C)(C)C#CC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000837419434 595106288 /nfs/dbraw/zinc/10/62/88/595106288.db2.gz SAYKAHUAAXHPRA-UHFFFAOYSA-N 1 2 347.503 1.877 20 30 EDEDLO C#CC[C@@H]1CCC[N@@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000842627731 595149618 /nfs/dbraw/zinc/14/96/18/595149618.db2.gz NGHQINBXTBBOES-GFCCVEGCSA-N 1 2 327.340 1.884 20 30 EDEDLO C#CC[C@@H]1CCC[N@H+](CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000842627731 595149619 /nfs/dbraw/zinc/14/96/19/595149619.db2.gz NGHQINBXTBBOES-GFCCVEGCSA-N 1 2 327.340 1.884 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C)n2CC(C)C)CC1 ZINC000843031247 595269521 /nfs/dbraw/zinc/26/95/21/595269521.db2.gz OTRHEQNXWZZQLW-JKSUJKDBSA-N 1 2 331.464 1.582 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)CC2)cc1 ZINC000844272628 595315091 /nfs/dbraw/zinc/31/50/91/595315091.db2.gz AWUQXJRSGYGJRZ-GOSISDBHSA-N 1 2 340.427 1.659 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](C[C@H]3CN(C4CC4)C(=O)O3)CC2)c(F)c1 ZINC000844287813 595317005 /nfs/dbraw/zinc/31/70/05/595317005.db2.gz IRTRXABXCZSMGQ-HNNXBMFYSA-N 1 2 344.390 1.803 20 30 EDEDLO C[N@H+](CCS(=O)(=O)c1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844364993 595330834 /nfs/dbraw/zinc/33/08/34/595330834.db2.gz HQNBQENUKLCYBP-GOSISDBHSA-N 1 2 344.436 1.997 20 30 EDEDLO C[N@@H+](CCS(=O)(=O)c1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844364993 595330838 /nfs/dbraw/zinc/33/08/38/595330838.db2.gz HQNBQENUKLCYBP-GOSISDBHSA-N 1 2 344.436 1.997 20 30 EDEDLO CCOC(=O)c1noc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)n1 ZINC000844372410 595332597 /nfs/dbraw/zinc/33/25/97/595332597.db2.gz YHNPFXMYPRFAEO-CYBMUJFWSA-N 1 2 330.344 1.283 20 30 EDEDLO CCOC(=O)c1noc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)n1 ZINC000844372410 595332599 /nfs/dbraw/zinc/33/25/99/595332599.db2.gz YHNPFXMYPRFAEO-CYBMUJFWSA-N 1 2 330.344 1.283 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000844527745 595355106 /nfs/dbraw/zinc/35/51/06/595355106.db2.gz RKANHEHRFXLDHL-GOEBONIOSA-N 1 2 345.359 1.048 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C ZINC000844527999 595355452 /nfs/dbraw/zinc/35/54/52/595355452.db2.gz SSBIGICTUPAOQC-SJKOYZFVSA-N 1 2 338.452 1.592 20 30 EDEDLO Cc1c[nH+]c(CCNc2ccc(S(N)(=O)=O)cc2C#N)c(C)c1 ZINC000848756219 595441446 /nfs/dbraw/zinc/44/14/46/595441446.db2.gz UXQCAWJAGBLFAO-UHFFFAOYSA-N 1 2 330.413 1.872 20 30 EDEDLO C#CCOCCNC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000845107906 595443094 /nfs/dbraw/zinc/44/30/94/595443094.db2.gz VCWNNAVVTFFYRP-INIZCTEOSA-N 1 2 326.400 1.653 20 30 EDEDLO COC(=O)[C@H](NCC[N@@H+]1C[C@H](C)OC[C@H]1C)c1ccc(C#N)cc1 ZINC000849322194 595506085 /nfs/dbraw/zinc/50/60/85/595506085.db2.gz PKDLNLBMHFSVHD-JKIFEVAISA-N 1 2 331.416 1.471 20 30 EDEDLO COC(=O)[C@H](NCC[N@H+]1C[C@H](C)OC[C@H]1C)c1ccc(C#N)cc1 ZINC000849322194 595506087 /nfs/dbraw/zinc/50/60/87/595506087.db2.gz PKDLNLBMHFSVHD-JKIFEVAISA-N 1 2 331.416 1.471 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000112921030 595568951 /nfs/dbraw/zinc/56/89/51/595568951.db2.gz JLTZXPSGCTXSQX-UHFFFAOYSA-N 1 2 338.411 1.023 20 30 EDEDLO C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000860100168 595579060 /nfs/dbraw/zinc/57/90/60/595579060.db2.gz LJALHFFTDCEBEY-CYBMUJFWSA-N 1 2 340.383 1.327 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(O[C@H]3CC3(F)F)cc2)CC1 ZINC000853067073 595652991 /nfs/dbraw/zinc/65/29/91/595652991.db2.gz NWPYVRAMLSIWMD-INIZCTEOSA-N 1 2 349.381 1.662 20 30 EDEDLO C[C@H]1CCc2nc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cn2C1 ZINC000857923482 595654092 /nfs/dbraw/zinc/65/40/92/595654092.db2.gz ZVTMAARNJRSTRF-HNNXBMFYSA-N 1 2 345.447 1.153 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000855493202 595727539 /nfs/dbraw/zinc/72/75/39/595727539.db2.gz KEVUJSYAZTVTOP-UHFFFAOYSA-N 1 2 341.371 1.079 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1NCC(C)(C)NS(C)(=O)=O ZINC000853308659 595732454 /nfs/dbraw/zinc/73/24/54/595732454.db2.gz RGTQHYCIWRSPMU-UHFFFAOYSA-N 1 2 325.434 1.614 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC[C@H]1CS(=O)(=O)NC ZINC000853413240 595749292 /nfs/dbraw/zinc/74/92/92/595749292.db2.gz MWCPXSHHXOLRTI-AWEZNQCLSA-N 1 2 337.445 1.392 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O ZINC000853620973 595835074 /nfs/dbraw/zinc/83/50/74/595835074.db2.gz LGLOZSGQQYZSMO-HUUCEWRRSA-N 1 2 335.448 1.662 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O ZINC000853620973 595835078 /nfs/dbraw/zinc/83/50/78/595835078.db2.gz LGLOZSGQQYZSMO-HUUCEWRRSA-N 1 2 335.448 1.662 20 30 EDEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000854073401 595967802 /nfs/dbraw/zinc/96/78/02/595967802.db2.gz UZKUKRMRDSYOGG-INIZCTEOSA-N 1 2 345.443 1.943 20 30 EDEDLO C#CCOCCN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000852052677 596024581 /nfs/dbraw/zinc/02/45/81/596024581.db2.gz PJJZWNPYUHUDLZ-MRXNPFEDSA-N 1 2 337.464 1.263 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000859377328 596072727 /nfs/dbraw/zinc/07/27/27/596072727.db2.gz UPFKVHDPAAGKGN-CQSZACIVSA-N 1 2 332.448 1.845 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)[C@H]1CCCO1 ZINC000852258991 596106172 /nfs/dbraw/zinc/10/61/72/596106172.db2.gz CHUWTGKOVRYKHP-HZPDHXFCSA-N 1 2 328.416 1.662 20 30 EDEDLO Cc1ccn(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c(=O)c1C#N ZINC000863333900 596554044 /nfs/dbraw/zinc/55/40/44/596554044.db2.gz XPVXBAVYQSYEFT-ZDUSSCGKSA-N 1 2 334.420 1.831 20 30 EDEDLO Cc1ccn(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c(=O)c1C#N ZINC000863333900 596554046 /nfs/dbraw/zinc/55/40/46/596554046.db2.gz XPVXBAVYQSYEFT-ZDUSSCGKSA-N 1 2 334.420 1.831 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000868275726 596759894 /nfs/dbraw/zinc/75/98/94/596759894.db2.gz UHELYXPFUAUSDC-BBRMVZONSA-N 1 2 338.411 1.975 20 30 EDEDLO CO[C@@H]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)Cc3ccc[nH+]c3N2C1 ZINC000866080308 596780458 /nfs/dbraw/zinc/78/04/58/596780458.db2.gz PZMVPCCMZZCETI-JKSUJKDBSA-N 1 2 337.383 1.531 20 30 EDEDLO C#CCN1C(=O)C[C@H]([NH+]2CCN(c3cccc4[nH]ccc43)CC2)C1=O ZINC000864351482 596864426 /nfs/dbraw/zinc/86/44/26/596864426.db2.gz RYKNOWCKEVGXFM-KRWDZBQOSA-N 1 2 336.395 1.051 20 30 EDEDLO CN1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)Cc2cccnc21 ZINC000872315989 596878981 /nfs/dbraw/zinc/87/89/81/596878981.db2.gz OBAIJMSUJGVBIU-UHFFFAOYSA-N 1 2 327.432 1.676 20 30 EDEDLO CN1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)Cc2cccnc21 ZINC000872315989 596878984 /nfs/dbraw/zinc/87/89/84/596878984.db2.gz OBAIJMSUJGVBIU-UHFFFAOYSA-N 1 2 327.432 1.676 20 30 EDEDLO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C#N)c1 ZINC000872471435 596924334 /nfs/dbraw/zinc/92/43/34/596924334.db2.gz MXSRXBKHFMTLGV-JKSUJKDBSA-N 1 2 349.456 1.086 20 30 EDEDLO CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000875706085 596953906 /nfs/dbraw/zinc/95/39/06/596953906.db2.gz ZTKRGJLSJOLJBW-BLLLJJGKSA-N 1 2 326.441 1.592 20 30 EDEDLO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000872669412 597023810 /nfs/dbraw/zinc/02/38/10/597023810.db2.gz VMCQTIXGSJALRZ-SFHVURJKSA-N 1 2 347.415 1.358 20 30 EDEDLO COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000872669412 597023811 /nfs/dbraw/zinc/02/38/11/597023811.db2.gz VMCQTIXGSJALRZ-SFHVURJKSA-N 1 2 347.415 1.358 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000876073523 597079581 /nfs/dbraw/zinc/07/95/81/597079581.db2.gz QOGBVKFPJYBFQW-QGZVFWFLSA-N 1 2 330.428 1.677 20 30 EDEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000875287815 597368786 /nfs/dbraw/zinc/36/87/86/597368786.db2.gz ISDMEWAGUMWHNX-GOEBONIOSA-N 1 2 339.399 1.988 20 30 EDEDLO C[N@@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C[C@H](O)c1cccc(C#N)c1 ZINC000877609121 597541363 /nfs/dbraw/zinc/54/13/63/597541363.db2.gz HVIHWGLHVCKELB-ROUUACIJSA-N 1 2 341.415 1.494 20 30 EDEDLO C[N@H+](Cc1cn(C[C@@H]2CCCO2)nn1)C[C@H](O)c1cccc(C#N)c1 ZINC000877609121 597541364 /nfs/dbraw/zinc/54/13/64/597541364.db2.gz HVIHWGLHVCKELB-ROUUACIJSA-N 1 2 341.415 1.494 20 30 EDEDLO C=C(Cl)C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)C(=O)OCC ZINC000877672031 597546744 /nfs/dbraw/zinc/54/67/44/597546744.db2.gz UVHAHYMXRSDJNB-WCQYABFASA-N 1 2 337.869 1.864 20 30 EDEDLO C=CC[C@@H](C(=O)OC)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000877941952 597565260 /nfs/dbraw/zinc/56/52/60/597565260.db2.gz QHYQFQCHTRALJC-KRWDZBQOSA-N 1 2 348.443 1.939 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586858 597645142 /nfs/dbraw/zinc/64/51/42/597645142.db2.gz XIACWJPNJYGSGB-HNNXBMFYSA-N 1 2 337.427 1.631 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1=O ZINC000879590144 597647535 /nfs/dbraw/zinc/64/75/35/597647535.db2.gz RZPGVEORRYWEFV-QGZVFWFLSA-N 1 2 328.391 1.606 20 30 EDEDLO CC(C)NC(=O)NCC[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879591096 597648031 /nfs/dbraw/zinc/64/80/31/597648031.db2.gz PMYCBIXAPUZHDR-UHFFFAOYSA-N 1 2 333.411 1.527 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689840 597687553 /nfs/dbraw/zinc/68/75/53/597687553.db2.gz XCGDVBWXDIKFOI-QFBILLFUSA-N 1 2 341.459 1.920 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689840 597687555 /nfs/dbraw/zinc/68/75/55/597687555.db2.gz XCGDVBWXDIKFOI-QFBILLFUSA-N 1 2 341.459 1.920 20 30 EDEDLO CN(C[C@H](O)C[N@H+](C)Cc1ccncc1C#N)C(=O)OC(C)(C)C ZINC000879080751 597814002 /nfs/dbraw/zinc/81/40/02/597814002.db2.gz PFVRYHSLFNABHD-OAHLLOKOSA-N 1 2 334.420 1.613 20 30 EDEDLO CN(C[C@H](O)C[N@@H+](C)Cc1ccncc1C#N)C(=O)OC(C)(C)C ZINC000879080751 597814003 /nfs/dbraw/zinc/81/40/03/597814003.db2.gz PFVRYHSLFNABHD-OAHLLOKOSA-N 1 2 334.420 1.613 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879371245 597903418 /nfs/dbraw/zinc/90/34/18/597903418.db2.gz QIHDNBIYIWWVKS-ZDUSSCGKSA-N 1 2 330.375 1.707 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879371245 597903420 /nfs/dbraw/zinc/90/34/20/597903420.db2.gz QIHDNBIYIWWVKS-ZDUSSCGKSA-N 1 2 330.375 1.707 20 30 EDEDLO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000880561632 597964223 /nfs/dbraw/zinc/96/42/23/597964223.db2.gz HWBQZFCDUBEJLZ-HNNXBMFYSA-N 1 2 326.299 1.269 20 30 EDEDLO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000880561632 597964224 /nfs/dbraw/zinc/96/42/24/597964224.db2.gz HWBQZFCDUBEJLZ-HNNXBMFYSA-N 1 2 326.299 1.269 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000884099448 597994960 /nfs/dbraw/zinc/99/49/60/597994960.db2.gz OLKOILMDYGHYIJ-CVEARBPZSA-N 1 2 334.391 1.806 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)Cc1nc2ccccc2s1 ZINC000884108516 597997133 /nfs/dbraw/zinc/99/71/33/597997133.db2.gz DOQMWPXUVHWITB-RYUDHWBXSA-N 1 2 347.440 1.790 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(c2ccccc2F)CC1 ZINC000884147185 598007764 /nfs/dbraw/zinc/00/77/64/598007764.db2.gz BPJRNQJGCRIWHY-INIZCTEOSA-N 1 2 334.391 1.978 20 30 EDEDLO C[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)C[C@H](C)N1CC#N ZINC000914153389 695164356 /nfs/dbraw/zinc/16/43/56/695164356.db2.gz ABHSNGAFEIBWDD-GJZGRUSLSA-N 1 2 330.436 1.511 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N2C[C@@H]3CCC[C@@H](NCC#N)[C@@H]3C2)c[nH+]1 ZINC000992733192 695248290 /nfs/dbraw/zinc/24/82/90/695248290.db2.gz XTGWPKUQFBOTQN-ARFHVFGLSA-N 1 2 329.448 1.667 20 30 EDEDLO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)on1 ZINC000993240102 695860545 /nfs/dbraw/zinc/86/05/45/695860545.db2.gz VKAZLALLWMEAOQ-FZMZJTMJSA-N 1 2 343.387 1.666 20 30 EDEDLO COc1cc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)on1 ZINC000993240102 695860549 /nfs/dbraw/zinc/86/05/49/695860549.db2.gz VKAZLALLWMEAOQ-FZMZJTMJSA-N 1 2 343.387 1.666 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnnn2C)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993282153 695904297 /nfs/dbraw/zinc/90/42/97/695904297.db2.gz PQOMDUOCZQAQEH-CZUORRHYSA-N 1 2 338.415 1.470 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnnn2C)CCC[N@H+]1Cc1ccccc1C#N ZINC000993282153 695904298 /nfs/dbraw/zinc/90/42/98/695904298.db2.gz PQOMDUOCZQAQEH-CZUORRHYSA-N 1 2 338.415 1.470 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H]1C ZINC000993526871 696205920 /nfs/dbraw/zinc/20/59/20/696205920.db2.gz IJUVLPBVGHDJEC-FZMZJTMJSA-N 1 2 348.834 1.911 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccnc3c2CC(=O)N3)[C@@H]1C ZINC000993526871 696205923 /nfs/dbraw/zinc/20/59/23/696205923.db2.gz IJUVLPBVGHDJEC-FZMZJTMJSA-N 1 2 348.834 1.911 20 30 EDEDLO Cc1cc(C#N)nc(NC2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001060603481 696280934 /nfs/dbraw/zinc/28/09/34/696280934.db2.gz PXFCNKMKUIMFGD-UHFFFAOYSA-N 1 2 339.403 1.462 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2CC2)C1 ZINC000993624685 696289235 /nfs/dbraw/zinc/28/92/35/696289235.db2.gz RAAGYEIMACRAPA-ZIAGYGMSSA-N 1 2 330.432 1.453 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C)no3)[C@@H]2C)nn1 ZINC000993955881 696462734 /nfs/dbraw/zinc/46/27/34/696462734.db2.gz XWFCIWDDXQZDPY-UKRRQHHQSA-N 1 2 344.419 1.543 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C)no3)[C@@H]2C)nn1 ZINC000993955881 696462735 /nfs/dbraw/zinc/46/27/35/696462735.db2.gz XWFCIWDDXQZDPY-UKRRQHHQSA-N 1 2 344.419 1.543 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993998149 696486797 /nfs/dbraw/zinc/48/67/97/696486797.db2.gz VEKIFXGDKPMIGT-NVXWUHKLSA-N 1 2 337.427 1.450 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993998149 696486799 /nfs/dbraw/zinc/48/67/99/696486799.db2.gz VEKIFXGDKPMIGT-NVXWUHKLSA-N 1 2 337.427 1.450 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccnn3C)[C@H]2C)nc1 ZINC000994255736 696660264 /nfs/dbraw/zinc/66/02/64/696660264.db2.gz QPHOXFMHZNSGBJ-WMLDXEAASA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccnn3C)[C@H]2C)nc1 ZINC000994255736 696660265 /nfs/dbraw/zinc/66/02/65/696660265.db2.gz QPHOXFMHZNSGBJ-WMLDXEAASA-N 1 2 337.427 1.579 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H]1C ZINC000994373156 696767805 /nfs/dbraw/zinc/76/78/05/696767805.db2.gz INVFFLPXBJXTBP-XJKSGUPXSA-N 1 2 341.883 1.967 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CCN(C(C)=O)CC2)[C@@H]1C ZINC000994373156 696767806 /nfs/dbraw/zinc/76/78/06/696767806.db2.gz INVFFLPXBJXTBP-XJKSGUPXSA-N 1 2 341.883 1.967 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H]1C ZINC000994447898 696869865 /nfs/dbraw/zinc/86/98/65/696869865.db2.gz CVKFFPTZSLIYOW-FZMZJTMJSA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cncc(C(N)=O)c2)[C@@H]1C ZINC000994447898 696869867 /nfs/dbraw/zinc/86/98/67/696869867.db2.gz CVKFFPTZSLIYOW-FZMZJTMJSA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H]1C ZINC000994483954 696924190 /nfs/dbraw/zinc/92/41/90/696924190.db2.gz IIRKSERHRGUZKV-NEPJUHHUSA-N 1 2 326.828 1.059 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H]1C ZINC000994483954 696924194 /nfs/dbraw/zinc/92/41/94/696924194.db2.gz IIRKSERHRGUZKV-NEPJUHHUSA-N 1 2 326.828 1.059 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H]1C ZINC000994500938 696944633 /nfs/dbraw/zinc/94/46/33/696944633.db2.gz AFCPRBCCXHUSJD-DGCLKSJQSA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)nc2)[C@H]1C ZINC000994500938 696944635 /nfs/dbraw/zinc/94/46/35/696944635.db2.gz AFCPRBCCXHUSJD-DGCLKSJQSA-N 1 2 336.823 1.516 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000918845969 697215795 /nfs/dbraw/zinc/21/57/95/697215795.db2.gz OAOHHLFZOWCDLK-UHFFFAOYSA-N 1 2 347.444 1.620 20 30 EDEDLO CCn1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)cn1 ZINC001031587040 697282746 /nfs/dbraw/zinc/28/27/46/697282746.db2.gz CNDLXVPJHOVGHI-UHFFFAOYSA-N 1 2 329.429 1.698 20 30 EDEDLO COc1cc(C[NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)sn1 ZINC001031620160 697338977 /nfs/dbraw/zinc/33/89/77/697338977.db2.gz BKHOCGPRSXWCJR-UHFFFAOYSA-N 1 2 331.401 1.213 20 30 EDEDLO Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)nn1 ZINC001031658995 697430120 /nfs/dbraw/zinc/43/01/20/697430120.db2.gz GUYTWVFNYAVYTM-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(OC)no2)C1 ZINC001031680660 697499899 /nfs/dbraw/zinc/49/98/99/697499899.db2.gz MKYGFLJAOPUPEE-CABCVRRESA-N 1 2 335.404 1.212 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)[nH]1 ZINC000940062681 700157784 /nfs/dbraw/zinc/15/77/84/700157784.db2.gz HGAUBJHZJTZUJX-CYBMUJFWSA-N 1 2 348.366 1.179 20 30 EDEDLO CCn1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)nn1 ZINC001032081191 698347260 /nfs/dbraw/zinc/34/72/60/698347260.db2.gz GCAIHXHRPVOZEH-UHFFFAOYSA-N 1 2 342.378 1.171 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000938765648 698650440 /nfs/dbraw/zinc/65/04/40/698650440.db2.gz TWZFYOSJFKWXTH-RRFJBIMHSA-N 1 2 342.443 1.929 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000938765648 698650444 /nfs/dbraw/zinc/65/04/44/698650444.db2.gz TWZFYOSJFKWXTH-RRFJBIMHSA-N 1 2 342.443 1.929 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cccc4cccnc43)CC2)C1 ZINC000941509738 701564083 /nfs/dbraw/zinc/56/40/83/701564083.db2.gz UXNQSMZZMBDXTR-UHFFFAOYSA-N 1 2 348.450 1.239 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CO[C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000941592929 701586398 /nfs/dbraw/zinc/58/63/98/701586398.db2.gz LRRXKMDBZIGQEN-WMZOPIPTSA-N 1 2 333.476 1.043 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccc(F)c3Cl)CC2)C1 ZINC000941582753 701589558 /nfs/dbraw/zinc/58/95/58/701589558.db2.gz WKNNJFNZONYRND-UHFFFAOYSA-N 1 2 349.837 1.944 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3ccco3)CC2)C1 ZINC000941601180 701592614 /nfs/dbraw/zinc/59/26/14/701592614.db2.gz KFZMNVWZRBLKNK-INIZCTEOSA-N 1 2 329.444 1.310 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccc(OC)c3F)CC2)C1 ZINC000941615056 701597129 /nfs/dbraw/zinc/59/71/29/701597129.db2.gz PNSYYCZUYHPMOE-UHFFFAOYSA-N 1 2 345.418 1.300 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCO[C@@H](CC)C3)CC2)C1 ZINC000941632992 701600940 /nfs/dbraw/zinc/60/09/40/701600940.db2.gz YONLOHHBUZWVGV-WMZOPIPTSA-N 1 2 333.476 1.043 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4ncsc4c3)CC2)C1 ZINC000941656666 701606556 /nfs/dbraw/zinc/60/65/56/701606556.db2.gz HJTNQAKYQCFZEK-UHFFFAOYSA-N 1 2 340.452 1.372 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(C(F)F)c3)CC2)C1 ZINC000941641710 701608712 /nfs/dbraw/zinc/60/87/12/701608712.db2.gz FXUGJHPHQHVADP-UHFFFAOYSA-N 1 2 333.382 1.699 20 30 EDEDLO COc1nc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)co1 ZINC001031880492 700496324 /nfs/dbraw/zinc/49/63/24/700496324.db2.gz JORKXSJJAZSFAF-UHFFFAOYSA-N 1 2 343.358 1.536 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCc3n[nH]cc3C2)C1 ZINC001032123780 701681554 /nfs/dbraw/zinc/68/15/54/701681554.db2.gz JFXZSYHJCLGKKH-HNNXBMFYSA-N 1 2 349.438 1.634 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nn3)CC2(C)C)C1 ZINC000941017933 701057456 /nfs/dbraw/zinc/05/74/56/701057456.db2.gz SKLZFCJGWTZBMF-HNNXBMFYSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cn(C)nn3)CC2(C)C)C1 ZINC000941017933 701057458 /nfs/dbraw/zinc/05/74/58/701057458.db2.gz SKLZFCJGWTZBMF-HNNXBMFYSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000946033987 701364743 /nfs/dbraw/zinc/36/47/43/701364743.db2.gz IVGFNUDIUCDIGO-ZBFHGGJFSA-N 1 2 342.443 1.758 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H]3[C@H](CCN3C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000946038424 701366208 /nfs/dbraw/zinc/36/62/08/701366208.db2.gz QSEDJJDTAKUGCV-CABCVRRESA-N 1 2 342.443 1.758 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cc(C(N)=O)co2)C1 ZINC001031971959 701734613 /nfs/dbraw/zinc/73/46/13/701734613.db2.gz ZRFLUPZENGACLM-UHFFFAOYSA-N 1 2 338.367 1.112 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000944182760 702463810 /nfs/dbraw/zinc/46/38/10/702463810.db2.gz FJPASRHGFQVBCY-HUUCEWRRSA-N 1 2 344.459 1.765 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1F ZINC001031992445 702527027 /nfs/dbraw/zinc/52/70/27/702527027.db2.gz ZRSNLIRHTVGBDD-NUJGCVRESA-N 1 2 343.402 1.813 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccnnc3)C2)cc1F ZINC001032003897 702740636 /nfs/dbraw/zinc/74/06/36/702740636.db2.gz KETNNQAYMMYDCS-UHFFFAOYSA-N 1 2 325.347 1.349 20 30 EDEDLO C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCc3[nH]nnc3C2)CC1(C)C ZINC000996512261 702831620 /nfs/dbraw/zinc/83/16/20/702831620.db2.gz MWDKIOAASPIBDI-FZMZJTMJSA-N 1 2 337.855 1.489 20 30 EDEDLO C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1(C)C ZINC000996512261 702831622 /nfs/dbraw/zinc/83/16/22/702831622.db2.gz MWDKIOAASPIBDI-FZMZJTMJSA-N 1 2 337.855 1.489 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC000942343588 702853354 /nfs/dbraw/zinc/85/33/54/702853354.db2.gz JBDNHSUFPDVBRR-OAHLLOKOSA-N 1 2 330.432 1.426 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC000942360416 702863031 /nfs/dbraw/zinc/86/30/31/702863031.db2.gz LXHLLASDBNXICB-CYBMUJFWSA-N 1 2 330.432 1.761 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C[C@@H]2C)c1 ZINC000942615905 703130120 /nfs/dbraw/zinc/13/01/20/703130120.db2.gz JHQNBLHQJZTWBH-LRDDRELGSA-N 1 2 338.415 1.130 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)C[C@@H]2C)c1 ZINC000942615905 703130123 /nfs/dbraw/zinc/13/01/23/703130123.db2.gz JHQNBLHQJZTWBH-LRDDRELGSA-N 1 2 338.415 1.130 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)nc(C)n1 ZINC001032050268 703355652 /nfs/dbraw/zinc/35/56/52/703355652.db2.gz SIOPHUVXESUDLD-UHFFFAOYSA-N 1 2 341.440 1.888 20 30 EDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001032403707 703422302 /nfs/dbraw/zinc/42/23/02/703422302.db2.gz XHZBEINOGMBMEP-ILXVDBEPSA-N 1 2 340.423 1.726 20 30 EDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cc(OC)ccc1OC ZINC001032403707 703422303 /nfs/dbraw/zinc/42/23/03/703422303.db2.gz XHZBEINOGMBMEP-ILXVDBEPSA-N 1 2 340.423 1.726 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC000997309879 703567130 /nfs/dbraw/zinc/56/71/30/703567130.db2.gz VVMOCIJGQDPKJK-WQVCFCJDSA-N 1 2 348.447 1.686 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC001032446420 703615258 /nfs/dbraw/zinc/61/52/58/703615258.db2.gz RLUHPKLVCXCWSH-RYUDHWBXSA-N 1 2 326.356 1.159 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)oc2nc[nH]c(=O)c21 ZINC001032446420 703615259 /nfs/dbraw/zinc/61/52/59/703615259.db2.gz RLUHPKLVCXCWSH-RYUDHWBXSA-N 1 2 326.356 1.159 20 30 EDEDLO Cc1nc(NC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)ccc1C#N ZINC001060863955 703770240 /nfs/dbraw/zinc/77/02/40/703770240.db2.gz XKFQGDIVFIUMEA-AWEZNQCLSA-N 1 2 338.415 1.878 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC000944999046 704907457 /nfs/dbraw/zinc/90/74/57/704907457.db2.gz XUNIJEDIPJUSBU-UHFFFAOYSA-N 1 2 344.459 1.626 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000997978437 705115950 /nfs/dbraw/zinc/11/59/50/705115950.db2.gz UORATFJOYYZXLU-INIZCTEOSA-N 1 2 342.403 1.786 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000997978437 705115952 /nfs/dbraw/zinc/11/59/52/705115952.db2.gz UORATFJOYYZXLU-INIZCTEOSA-N 1 2 342.403 1.786 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@@H+](Cc3noc(C4CC4)n3)C[C@H]2CC1 ZINC000946514958 706146344 /nfs/dbraw/zinc/14/63/44/706146344.db2.gz WEQGTKMAUUGTTR-AEGPPILISA-N 1 2 343.431 1.777 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CC[C@H]2C[N@H+](Cc3noc(C4CC4)n3)C[C@H]2CC1 ZINC000946514958 706146348 /nfs/dbraw/zinc/14/63/48/706146348.db2.gz WEQGTKMAUUGTTR-AEGPPILISA-N 1 2 343.431 1.777 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)C2CC([NH2+][C@H](C)c3noc(C)n3)C2)nc1 ZINC000999705219 707294980 /nfs/dbraw/zinc/29/49/80/707294980.db2.gz FGPMZSKOQRPXRL-VCANKDNSSA-N 1 2 339.399 1.708 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001033295968 707405363 /nfs/dbraw/zinc/40/53/63/707405363.db2.gz YHYVZFILHILAMF-KGLIPLIRSA-N 1 2 337.855 1.434 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3nc(C)nn3C2)C1 ZINC001033295968 707405366 /nfs/dbraw/zinc/40/53/66/707405366.db2.gz YHYVZFILHILAMF-KGLIPLIRSA-N 1 2 337.855 1.434 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001033355413 707670002 /nfs/dbraw/zinc/67/00/02/707670002.db2.gz BYKBXFPDWZWNRU-GFCCVEGCSA-N 1 2 328.210 1.658 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001033355413 707670009 /nfs/dbraw/zinc/67/00/09/707670009.db2.gz BYKBXFPDWZWNRU-GFCCVEGCSA-N 1 2 328.210 1.658 20 30 EDEDLO C#CCCCC(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001060990083 708105979 /nfs/dbraw/zinc/10/59/79/708105979.db2.gz UXOYAKWLLHCCEX-UHFFFAOYSA-N 1 2 342.443 1.515 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001033529870 708149916 /nfs/dbraw/zinc/14/99/16/708149916.db2.gz SBTJUJPOCHEFFP-AWEZNQCLSA-N 1 2 338.839 1.145 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2c(C)cc(C)nc2=O)C1 ZINC001033529870 708149919 /nfs/dbraw/zinc/14/99/19/708149919.db2.gz SBTJUJPOCHEFFP-AWEZNQCLSA-N 1 2 338.839 1.145 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CNc2ncccc2C#N)C1 ZINC001061004720 708151379 /nfs/dbraw/zinc/15/13/79/708151379.db2.gz RMKAESJGBZYPBD-UONOGXRCSA-N 1 2 338.415 1.816 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CNc2ncccc2C#N)C1 ZINC001061004720 708151382 /nfs/dbraw/zinc/15/13/82/708151382.db2.gz RMKAESJGBZYPBD-UONOGXRCSA-N 1 2 338.415 1.816 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CNc2ccncc2C#N)C1 ZINC001061003968 708152914 /nfs/dbraw/zinc/15/29/14/708152914.db2.gz ATCMDYSRGYIJTB-KBPBESRZSA-N 1 2 338.415 1.237 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CNc2ccncc2C#N)C1 ZINC001061003968 708152915 /nfs/dbraw/zinc/15/29/15/708152915.db2.gz ATCMDYSRGYIJTB-KBPBESRZSA-N 1 2 338.415 1.237 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3nnc(C)[nH]3)CC2)cc1 ZINC001001703526 708225291 /nfs/dbraw/zinc/22/52/91/708225291.db2.gz VUKFLCPRFZBPPQ-UHFFFAOYSA-N 1 2 337.427 1.736 20 30 EDEDLO Cc1ccnc(C[NH+]2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001005229309 708334722 /nfs/dbraw/zinc/33/47/22/708334722.db2.gz ZBTIVWLSQNBCHF-UHFFFAOYSA-N 1 2 338.415 1.721 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2CC[NH+](Cc3nnc(C)[nH]3)CC2)c1 ZINC001001812316 708337335 /nfs/dbraw/zinc/33/73/35/708337335.db2.gz ISGYZGNIPKQDBO-UHFFFAOYSA-N 1 2 338.415 1.131 20 30 EDEDLO N#Cc1cccnc1N1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001061680082 708422882 /nfs/dbraw/zinc/42/28/82/708422882.db2.gz ISTGZHGGTOIZDQ-AWEZNQCLSA-N 1 2 346.394 1.857 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033806933 708730216 /nfs/dbraw/zinc/73/02/16/708730216.db2.gz QMSVQGZEYOOZMW-INIZCTEOSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033806933 708730218 /nfs/dbraw/zinc/73/02/18/708730218.db2.gz QMSVQGZEYOOZMW-INIZCTEOSA-N 1 2 327.388 1.919 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)CN2CCCC2=O)CC1 ZINC001002308458 708788856 /nfs/dbraw/zinc/78/88/56/708788856.db2.gz QWSNCNYTXPPWSY-UHFFFAOYSA-N 1 2 344.253 1.098 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@@H]2COCCO2)CC1 ZINC001002371582 708871051 /nfs/dbraw/zinc/87/10/51/708871051.db2.gz NGUTUEHNZPMXAW-KRWDZBQOSA-N 1 2 347.390 1.193 20 30 EDEDLO CCc1noc([C@H](C)[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001002546873 709094936 /nfs/dbraw/zinc/09/49/36/709094936.db2.gz XQBLGNOXRUKEFI-NSHDSACASA-N 1 2 342.403 1.787 20 30 EDEDLO Cc1nc(C[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)oc1C ZINC001002551813 709099089 /nfs/dbraw/zinc/09/90/89/709099089.db2.gz RXXDQOJLQJAFLQ-UHFFFAOYSA-N 1 2 327.388 1.886 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001033958200 709140658 /nfs/dbraw/zinc/14/06/58/709140658.db2.gz SYFNVUVBLPRUEC-HZSPNIEDSA-N 1 2 327.856 1.563 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001033958200 709140661 /nfs/dbraw/zinc/14/06/61/709140661.db2.gz SYFNVUVBLPRUEC-HZSPNIEDSA-N 1 2 327.856 1.563 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001034033393 709262982 /nfs/dbraw/zinc/26/29/82/709262982.db2.gz XNGVOYSJLIASTB-CABCVRRESA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001034033393 709262984 /nfs/dbraw/zinc/26/29/84/709262984.db2.gz XNGVOYSJLIASTB-CABCVRRESA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C2CCN(C(C)=O)CC2)C1 ZINC001034035206 709266142 /nfs/dbraw/zinc/26/61/42/709266142.db2.gz RQWHDBJGNVNQIV-INIZCTEOSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CCN(C(C)=O)CC2)C1 ZINC001034035206 709266144 /nfs/dbraw/zinc/26/61/44/709266144.db2.gz RQWHDBJGNVNQIV-INIZCTEOSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2nn3c(c2C)OCCC3)CC1 ZINC001002971491 709696489 /nfs/dbraw/zinc/69/64/89/709696489.db2.gz BGOMOAHLCASVHG-UHFFFAOYSA-N 1 2 338.839 1.921 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](N(C)c2ccncc2C#N)C1 ZINC001061220368 709769916 /nfs/dbraw/zinc/76/99/16/709769916.db2.gz BAVQUEJICQEODM-OAHLLOKOSA-N 1 2 338.415 1.655 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001034363145 709879814 /nfs/dbraw/zinc/87/98/14/709879814.db2.gz LSXNINQQMXZIAV-OCCSQVGLSA-N 1 2 349.244 1.994 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001034363145 709879821 /nfs/dbraw/zinc/87/98/21/709879821.db2.gz LSXNINQQMXZIAV-OCCSQVGLSA-N 1 2 349.244 1.994 20 30 EDEDLO CN(c1ncccc1C#N)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001061244186 709935251 /nfs/dbraw/zinc/93/52/51/709935251.db2.gz INGAGIXCDJTKNX-INIZCTEOSA-N 1 2 338.415 1.667 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3nnc[nH]3)C2)cc1F ZINC001034450193 710053100 /nfs/dbraw/zinc/05/31/00/710053100.db2.gz FSRCJUHMPKNDRU-CQSZACIVSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3nnc[nH]3)C2)cc1F ZINC001034450193 710053105 /nfs/dbraw/zinc/05/31/05/710053105.db2.gz FSRCJUHMPKNDRU-CQSZACIVSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2n[nH]cc2F)CC1 ZINC001003576455 710427191 /nfs/dbraw/zinc/42/71/91/710427191.db2.gz YIVIXJGJAOYYIT-UHFFFAOYSA-N 1 2 345.353 1.954 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cccn2)C1 ZINC001032904326 710693281 /nfs/dbraw/zinc/69/32/81/710693281.db2.gz GYJZKCHIFHUCQY-LBPRGKRZSA-N 1 2 327.226 1.324 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cccn2)C1 ZINC001032904326 710693285 /nfs/dbraw/zinc/69/32/85/710693285.db2.gz GYJZKCHIFHUCQY-LBPRGKRZSA-N 1 2 327.226 1.324 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N(C)C(=O)c3cnc(C)s3)C2)C1=O ZINC001032953708 710935197 /nfs/dbraw/zinc/93/51/97/710935197.db2.gz ZZAMCNBBPGKKMW-KGLIPLIRSA-N 1 2 348.472 1.385 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](N(C)C(=O)c3cnc(C)s3)C2)C1=O ZINC001032953708 710935199 /nfs/dbraw/zinc/93/51/99/710935199.db2.gz ZZAMCNBBPGKKMW-KGLIPLIRSA-N 1 2 348.472 1.385 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n(C)o2)C1 ZINC001033037734 711501565 /nfs/dbraw/zinc/50/15/65/711501565.db2.gz LLEXEHGCWQTYQY-JTQLQIEISA-N 1 2 344.209 1.033 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)n(C)o2)C1 ZINC001033037734 711501567 /nfs/dbraw/zinc/50/15/67/711501567.db2.gz LLEXEHGCWQTYQY-JTQLQIEISA-N 1 2 344.209 1.033 20 30 EDEDLO COc1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)ccn1 ZINC001004482731 711872803 /nfs/dbraw/zinc/87/28/03/711872803.db2.gz RIHUQSNFDOVHBJ-INIZCTEOSA-N 1 2 328.416 1.930 20 30 EDEDLO COc1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)ccn1 ZINC001004482731 711872805 /nfs/dbraw/zinc/87/28/05/711872805.db2.gz RIHUQSNFDOVHBJ-INIZCTEOSA-N 1 2 328.416 1.930 20 30 EDEDLO CCc1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n(C)n1 ZINC001004585441 712019122 /nfs/dbraw/zinc/01/91/22/712019122.db2.gz FWTVIKIUBNYXOH-MRXNPFEDSA-N 1 2 329.448 1.823 20 30 EDEDLO CCc1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n(C)n1 ZINC001004585441 712019123 /nfs/dbraw/zinc/01/91/23/712019123.db2.gz FWTVIKIUBNYXOH-MRXNPFEDSA-N 1 2 329.448 1.823 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC001004614311 712048850 /nfs/dbraw/zinc/04/88/50/712048850.db2.gz ADXROICJXPPMKH-QAPCUYQASA-N 1 2 341.459 1.741 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC001004614311 712048852 /nfs/dbraw/zinc/04/88/52/712048852.db2.gz ADXROICJXPPMKH-QAPCUYQASA-N 1 2 341.459 1.741 20 30 EDEDLO CCc1ccc(O)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000094074143 529690919 /nfs/dbraw/zinc/69/09/19/529690919.db2.gz RHXVJARNVYDSNO-UHFFFAOYSA-N 1 2 331.416 1.643 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)c1nnc3n1CCC3)CCC2 ZINC000328704980 539354429 /nfs/dbraw/zinc/35/44/29/539354429.db2.gz KWLZSDIGHAXDRP-STQMWFEESA-N 1 2 343.435 1.871 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)CNC(=O)C3CCCCC3)CC2)cn1 ZINC000329177730 539418332 /nfs/dbraw/zinc/41/83/32/539418332.db2.gz NDUQLWYGNBEWGT-UHFFFAOYSA-N 1 2 347.463 1.601 20 30 EDEDLO C[C@@]1(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CCOC1 ZINC000329513165 539441430 /nfs/dbraw/zinc/44/14/30/539441430.db2.gz CNGSSOOGINSVME-INIZCTEOSA-N 1 2 338.477 1.991 20 30 EDEDLO C[C@@]1(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CCOC1 ZINC000329513165 539441433 /nfs/dbraw/zinc/44/14/33/539441433.db2.gz CNGSSOOGINSVME-INIZCTEOSA-N 1 2 338.477 1.991 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000438647583 305187726 /nfs/dbraw/zinc/18/77/26/305187726.db2.gz OPGYKSRAWNDFNU-ZDUSSCGKSA-N 1 2 339.848 1.950 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000438647583 305187727 /nfs/dbraw/zinc/18/77/27/305187727.db2.gz OPGYKSRAWNDFNU-ZDUSSCGKSA-N 1 2 339.848 1.950 20 30 EDEDLO CCO[C@H]1C[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000562469073 306299421 /nfs/dbraw/zinc/29/94/21/306299421.db2.gz FKMHMXZWAIRYOA-SJORKVTESA-N 1 2 328.416 1.563 20 30 EDEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000331336491 283139160 /nfs/dbraw/zinc/13/91/60/283139160.db2.gz QMMNKFCZBDXSAR-KBPBESRZSA-N 1 2 327.837 1.918 20 30 EDEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000331336491 283139161 /nfs/dbraw/zinc/13/91/61/283139161.db2.gz QMMNKFCZBDXSAR-KBPBESRZSA-N 1 2 327.837 1.918 20 30 EDEDLO N#Cc1ccc2ncc(CN3CCCC[C@@H]3C[NH+]3CCOCC3)n2c1 ZINC000093011426 138291039 /nfs/dbraw/zinc/29/10/39/138291039.db2.gz UWTPXJFUYLAUFZ-QGZVFWFLSA-N 1 2 339.443 1.893 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000174572394 237285492 /nfs/dbraw/zinc/28/54/92/237285492.db2.gz HZCQZGUCGUSBGI-SFHVURJKSA-N 1 2 326.444 1.928 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N3CCN(c4cnccc4C#N)CC3)ccn12 ZINC000566631321 306422940 /nfs/dbraw/zinc/42/29/40/306422940.db2.gz VRLMOABREUNXGT-UHFFFAOYSA-N 1 2 346.394 1.872 20 30 EDEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000195415364 139016037 /nfs/dbraw/zinc/01/60/37/139016037.db2.gz JXUKFEXKJSVTAE-UHFFFAOYSA-N 1 2 349.438 1.755 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000226158002 139021624 /nfs/dbraw/zinc/02/16/24/139021624.db2.gz CTQPYDDZXVIKJT-UHFFFAOYSA-N 1 2 325.459 1.194 20 30 EDEDLO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000342578286 296235454 /nfs/dbraw/zinc/23/54/54/296235454.db2.gz BTDZWLVXZQXKJI-SCLBCKFNSA-N 1 2 328.416 1.343 20 30 EDEDLO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000342578286 296235456 /nfs/dbraw/zinc/23/54/56/296235456.db2.gz BTDZWLVXZQXKJI-SCLBCKFNSA-N 1 2 328.416 1.343 20 30 EDEDLO N#CCC[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)CC1CC1 ZINC000266933141 249352408 /nfs/dbraw/zinc/35/24/08/249352408.db2.gz OZKXMVOCLAAIQM-UHFFFAOYSA-N 1 2 344.371 1.689 20 30 EDEDLO N#CCC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)CC1CC1 ZINC000266933141 249352413 /nfs/dbraw/zinc/35/24/13/249352413.db2.gz OZKXMVOCLAAIQM-UHFFFAOYSA-N 1 2 344.371 1.689 20 30 EDEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000283527535 249572733 /nfs/dbraw/zinc/57/27/33/249572733.db2.gz GMHCQPRWJRKNCC-HNNXBMFYSA-N 1 2 346.479 1.296 20 30 EDEDLO C[C@@H](NC(=O)NCC#Cc1cccc(F)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000338046421 249974836 /nfs/dbraw/zinc/97/48/36/249974836.db2.gz WSLLZGAIMZMXCF-HUUCEWRRSA-N 1 2 333.407 1.586 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000345781086 250035839 /nfs/dbraw/zinc/03/58/39/250035839.db2.gz ILYVTPTWVLNTLU-AWEZNQCLSA-N 1 2 338.415 1.026 20 30 EDEDLO COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345774631 250035873 /nfs/dbraw/zinc/03/58/73/250035873.db2.gz ATGNKCVBHGLUHF-HNNXBMFYSA-N 1 2 342.443 1.768 20 30 EDEDLO C=CCOc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000355304659 250112200 /nfs/dbraw/zinc/11/22/00/250112200.db2.gz GPTXNOWMKIGMFB-UHFFFAOYSA-N 1 2 343.427 1.939 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3c(C)csc32)CC1 ZINC000359423559 250154370 /nfs/dbraw/zinc/15/43/70/250154370.db2.gz CBYFSMFUFHSRTL-UHFFFAOYSA-N 1 2 331.445 1.424 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C[C@H](C#N)CCC#N ZINC000363006299 250184327 /nfs/dbraw/zinc/18/43/27/250184327.db2.gz CYLAMRIVBZFHFA-YOEHRIQHSA-N 1 2 336.399 1.559 20 30 EDEDLO C=CCNC(=O)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000367768681 250196060 /nfs/dbraw/zinc/19/60/60/250196060.db2.gz LYYOILLGMDYOAL-HNNXBMFYSA-N 1 2 345.378 1.250 20 30 EDEDLO CC(C)(C)C[C@@H](O)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000362696054 250183261 /nfs/dbraw/zinc/18/32/61/250183261.db2.gz BFNNONCFHMEANT-HNNXBMFYSA-N 1 2 325.453 1.248 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)N2CCc3c([nH+]cn3C)C2)c1 ZINC000373676012 250243275 /nfs/dbraw/zinc/24/32/75/250243275.db2.gz MEVDYMITVOJYJB-UHFFFAOYSA-N 1 2 340.383 1.508 20 30 EDEDLO COc1cc(C)c([S@@](C)=O)cc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000424140514 252140663 /nfs/dbraw/zinc/14/06/63/252140663.db2.gz SKODTVBSPYXTNV-JCQPUDPBSA-N 1 2 340.445 1.326 20 30 EDEDLO COc1cc(C)c([S@@](C)=O)cc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000424140514 252140664 /nfs/dbraw/zinc/14/06/64/252140664.db2.gz SKODTVBSPYXTNV-JCQPUDPBSA-N 1 2 340.445 1.326 20 30 EDEDLO C=CCCn1cc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)nn1 ZINC000424732802 252269856 /nfs/dbraw/zinc/26/98/56/252269856.db2.gz HSGSOBKUIBRMNA-AWEZNQCLSA-N 1 2 328.420 1.683 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000426180798 252321276 /nfs/dbraw/zinc/32/12/76/252321276.db2.gz RZMFCJBPPJCAJC-HUUCEWRRSA-N 1 2 329.400 1.748 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000426180798 252321280 /nfs/dbraw/zinc/32/12/80/252321280.db2.gz RZMFCJBPPJCAJC-HUUCEWRRSA-N 1 2 329.400 1.748 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)CN(/C=C\c3ccccc3)C2=O)CC1 ZINC000490557130 255092062 /nfs/dbraw/zinc/09/20/62/255092062.db2.gz WWRSIPSPVMVGCT-NTMALXAHSA-N 1 2 338.411 1.130 20 30 EDEDLO COCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1scnc1C ZINC000489495169 255068276 /nfs/dbraw/zinc/06/82/76/255068276.db2.gz KPTVFZOIKGHCBQ-MRXNPFEDSA-N 1 2 338.477 1.954 20 30 EDEDLO COCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1scnc1C ZINC000489495169 255068278 /nfs/dbraw/zinc/06/82/78/255068278.db2.gz KPTVFZOIKGHCBQ-MRXNPFEDSA-N 1 2 338.477 1.954 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3OCC[C@@H]3C)n2CC(C)C)CC1 ZINC000491068931 255118322 /nfs/dbraw/zinc/11/83/22/255118322.db2.gz SFFZOUBQMZWPJM-JKSUJKDBSA-N 1 2 331.464 1.787 20 30 EDEDLO CCOC(=O)N(C)C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000491076655 255119158 /nfs/dbraw/zinc/11/91/58/255119158.db2.gz PHIRXKNSUDQJJJ-QGZVFWFLSA-N 1 2 338.452 1.594 20 30 EDEDLO CC(C)COC(=O)N1CCC[N@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000492572143 255180337 /nfs/dbraw/zinc/18/03/37/255180337.db2.gz JQNVWGRQVJUNKG-UHFFFAOYSA-N 1 2 336.436 1.349 20 30 EDEDLO CC(C)COC(=O)N1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000492572143 255180338 /nfs/dbraw/zinc/18/03/38/255180338.db2.gz JQNVWGRQVJUNKG-UHFFFAOYSA-N 1 2 336.436 1.349 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC(C#N)CC1 ZINC000119199847 221265288 /nfs/dbraw/zinc/26/52/88/221265288.db2.gz PFEHNXQXQIUNSF-UHFFFAOYSA-N 1 2 329.404 1.994 20 30 EDEDLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c(C#N)c1C ZINC000264194192 139385958 /nfs/dbraw/zinc/38/59/58/139385958.db2.gz GNLFSKYODRUBDI-HNNXBMFYSA-N 1 2 342.447 1.098 20 30 EDEDLO COC(=O)CCc1nc(CO[NH+]=C(N)c2cccc(Cl)c2)no1 ZINC000111176309 533462629 /nfs/dbraw/zinc/46/26/29/533462629.db2.gz QHDDEQOGDITKOI-UHFFFAOYSA-N 1 2 338.751 1.666 20 30 EDEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000270207899 140060199 /nfs/dbraw/zinc/06/01/99/140060199.db2.gz QHVMZXGUZMKRCZ-UHFFFAOYSA-N 1 2 337.383 1.193 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c[nH]1 ZINC000271021418 140222447 /nfs/dbraw/zinc/22/24/47/140222447.db2.gz AUYIBQDXUAKRHD-UHFFFAOYSA-N 1 2 325.372 1.390 20 30 EDEDLO C[C@@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC(=O)N1 ZINC000332094825 141121853 /nfs/dbraw/zinc/12/18/53/141121853.db2.gz BNMCHMNIZWAALR-PBHICJAKSA-N 1 2 340.427 1.117 20 30 EDEDLO Cc1ncc(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)cc1C#N ZINC000332339053 141165082 /nfs/dbraw/zinc/16/50/82/141165082.db2.gz MQUCIUFYUVYNHD-UHFFFAOYSA-N 1 2 331.401 1.273 20 30 EDEDLO CN(CCS(=O)(=O)c1ccc(C#N)cn1)c1[nH]c2ccccc2[nH+]1 ZINC000345487836 143097081 /nfs/dbraw/zinc/09/70/81/143097081.db2.gz XUAMZYMTOYAJMT-UHFFFAOYSA-N 1 2 341.396 1.740 20 30 EDEDLO C[C@@H](C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1)n1cnc(C#N)n1 ZINC000346397055 143200471 /nfs/dbraw/zinc/20/04/71/143200471.db2.gz VJYFXEPKZXBEIN-NSHDSACASA-N 1 2 339.334 1.806 20 30 EDEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000347898178 143376699 /nfs/dbraw/zinc/37/66/99/143376699.db2.gz HJTGPEUQUWUEIB-UHFFFAOYSA-N 1 2 326.328 1.391 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000347976608 143386547 /nfs/dbraw/zinc/38/65/47/143386547.db2.gz KKXUDMFPBHDXGW-HIFRSBDPSA-N 1 2 341.333 1.562 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000347976608 143386548 /nfs/dbraw/zinc/38/65/48/143386548.db2.gz KKXUDMFPBHDXGW-HIFRSBDPSA-N 1 2 341.333 1.562 20 30 EDEDLO N#Cc1cc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)ccc1Cl ZINC000348053767 143395972 /nfs/dbraw/zinc/39/59/72/143395972.db2.gz WBASDINAXSAHCY-UHFFFAOYSA-N 1 2 348.771 1.754 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)C1CC1 ZINC000352595946 149079693 /nfs/dbraw/zinc/07/96/93/149079693.db2.gz FWGXZRULWGPJSG-CQSZACIVSA-N 1 2 334.376 1.860 20 30 EDEDLO C[C@H](NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000355134144 150132274 /nfs/dbraw/zinc/13/22/74/150132274.db2.gz XVUPVZMGPALJEG-INIZCTEOSA-N 1 2 349.438 1.953 20 30 EDEDLO N#Cc1c(F)ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)c1Cl ZINC000364330238 153207296 /nfs/dbraw/zinc/20/72/96/153207296.db2.gz HOFIMXHEJKZBQF-UHFFFAOYSA-N 1 2 331.800 1.604 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)nc1 ZINC000574455661 306651081 /nfs/dbraw/zinc/65/10/81/306651081.db2.gz GBZOSSBTSOWWLB-HOCLYGCPSA-N 1 2 337.383 1.392 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](c3ccco3)C2)nc1 ZINC000368000057 154363590 /nfs/dbraw/zinc/36/35/90/154363590.db2.gz WSAVVLNPUTUPBH-CQSZACIVSA-N 1 2 331.397 1.809 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3ccco3)C2)nc1 ZINC000368000057 154363593 /nfs/dbraw/zinc/36/35/93/154363593.db2.gz WSAVVLNPUTUPBH-CQSZACIVSA-N 1 2 331.397 1.809 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000369553232 155084046 /nfs/dbraw/zinc/08/40/46/155084046.db2.gz UGOWJOIGDUXBOS-MJGOQNOKSA-N 1 2 343.427 1.444 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000369553232 155084049 /nfs/dbraw/zinc/08/40/49/155084049.db2.gz UGOWJOIGDUXBOS-MJGOQNOKSA-N 1 2 343.427 1.444 20 30 EDEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1ccc(C#N)cc1Cl)CC2 ZINC000371702829 156069216 /nfs/dbraw/zinc/06/92/16/156069216.db2.gz GKIJZEAFLARVLZ-UHFFFAOYSA-N 1 2 336.804 1.921 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC3(CCOC3=O)CC2)c1 ZINC000372211848 156272716 /nfs/dbraw/zinc/27/27/16/156272716.db2.gz WEVULJSJFWQCJA-UHFFFAOYSA-N 1 2 348.424 1.361 20 30 EDEDLO Cc1cc(C#N)cc(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)n1 ZINC000408003974 158238543 /nfs/dbraw/zinc/23/85/43/158238543.db2.gz VEWDZCWKLJTEMZ-MRXNPFEDSA-N 1 2 341.459 1.785 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC000408362899 158341735 /nfs/dbraw/zinc/34/17/35/158341735.db2.gz RUZIKIMVLLHVAA-GFCCVEGCSA-N 1 2 331.401 1.553 20 30 EDEDLO Cc1nsc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1C#N ZINC000352191155 162042106 /nfs/dbraw/zinc/04/21/06/162042106.db2.gz RNVYAQQVKVFHDM-UHFFFAOYSA-N 1 2 347.404 1.250 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413965535 269885444 /nfs/dbraw/zinc/88/54/44/269885444.db2.gz HWFWBFSJVFXZEG-AWEZNQCLSA-N 1 2 331.416 1.553 20 30 EDEDLO N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000429539479 270012825 /nfs/dbraw/zinc/01/28/25/270012825.db2.gz VNDBAKKGIWJLQT-ZDUSSCGKSA-N 1 2 348.370 1.472 20 30 EDEDLO N#Cc1ccc(Br)cc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000416443281 270012075 /nfs/dbraw/zinc/01/20/75/270012075.db2.gz GTAJVAOFQSPSSX-UHFFFAOYSA-N 1 2 344.234 1.305 20 30 EDEDLO N#Cc1ccccc1OCC[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528607534 270015741 /nfs/dbraw/zinc/01/57/41/270015741.db2.gz HJOWSRPJOCLMGT-UHFFFAOYSA-N 1 2 335.429 1.047 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)COc1ccccc1C#N ZINC000291186770 267109268 /nfs/dbraw/zinc/10/92/68/267109268.db2.gz CMUOQDMQDBHZDP-GDBMZVCRSA-N 1 2 329.400 1.259 20 30 EDEDLO C[C@H](C(N)=O)[NH+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000301766482 267144271 /nfs/dbraw/zinc/14/42/71/267144271.db2.gz IDRZIRDJFCGBPB-SNVBAGLBSA-N 1 2 326.322 1.573 20 30 EDEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC(=O)N1C ZINC000282132650 267230187 /nfs/dbraw/zinc/23/01/87/267230187.db2.gz KEAXQPWAMUFBFK-NSHDSACASA-N 1 2 346.456 1.600 20 30 EDEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC(=O)N1C ZINC000282132650 267230190 /nfs/dbraw/zinc/23/01/90/267230190.db2.gz KEAXQPWAMUFBFK-NSHDSACASA-N 1 2 346.456 1.600 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C)c2C#N)CCO1 ZINC000427897068 267230425 /nfs/dbraw/zinc/23/04/25/267230425.db2.gz XAHNIBCAESOHBP-AWEZNQCLSA-N 1 2 344.415 1.032 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C)c2C#N)CCO1 ZINC000427897068 267230428 /nfs/dbraw/zinc/23/04/28/267230428.db2.gz XAHNIBCAESOHBP-AWEZNQCLSA-N 1 2 344.415 1.032 20 30 EDEDLO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)c[nH+]1 ZINC000435658007 267292978 /nfs/dbraw/zinc/29/29/78/267292978.db2.gz YIMUIHPSKYAMTO-UHFFFAOYSA-N 1 2 341.346 1.413 20 30 EDEDLO Cc1cc(C[NH+]2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)on1 ZINC000283419887 267324816 /nfs/dbraw/zinc/32/48/16/267324816.db2.gz BNFSXGMQVTVXNO-UHFFFAOYSA-N 1 2 342.359 1.667 20 30 EDEDLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n(C)n1 ZINC000292072966 267343890 /nfs/dbraw/zinc/34/38/90/267343890.db2.gz CVQFYZQIPVXFFI-AWEZNQCLSA-N 1 2 340.387 1.087 20 30 EDEDLO Cc1cc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n(C)n1 ZINC000292072966 267343895 /nfs/dbraw/zinc/34/38/95/267343895.db2.gz CVQFYZQIPVXFFI-AWEZNQCLSA-N 1 2 340.387 1.087 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000284714991 268068437 /nfs/dbraw/zinc/06/84/37/268068437.db2.gz HIILLEHMWOXQJB-RCCFBDPRSA-N 1 2 343.427 1.036 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000284714991 268068440 /nfs/dbraw/zinc/06/84/40/268068440.db2.gz HIILLEHMWOXQJB-RCCFBDPRSA-N 1 2 343.427 1.036 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000288363303 268079378 /nfs/dbraw/zinc/07/93/78/268079378.db2.gz NMSUVWYRSGARGX-KRWDZBQOSA-N 1 2 349.456 1.042 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000366217111 268084387 /nfs/dbraw/zinc/08/43/87/268084387.db2.gz NBAVQNUAUKXBTE-ROUUACIJSA-N 1 2 338.411 1.174 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000343346566 268085885 /nfs/dbraw/zinc/08/58/85/268085885.db2.gz UAYLWNPNKCUHNX-FUHWJXTLSA-N 1 2 338.411 1.220 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000343346566 268085886 /nfs/dbraw/zinc/08/58/86/268085886.db2.gz UAYLWNPNKCUHNX-FUHWJXTLSA-N 1 2 338.411 1.220 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274858627 268224265 /nfs/dbraw/zinc/22/42/65/268224265.db2.gz HNGRHCALVXFUSQ-UHFFFAOYSA-N 1 2 343.774 1.292 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274858627 268224267 /nfs/dbraw/zinc/22/42/67/268224267.db2.gz HNGRHCALVXFUSQ-UHFFFAOYSA-N 1 2 343.774 1.292 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC(F)(F)[C@@H](CO)C2)C1=O ZINC000291768823 268303856 /nfs/dbraw/zinc/30/38/56/268303856.db2.gz LQYMBKOKYSERAM-NEPJUHHUSA-N 1 2 341.383 1.675 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC(F)(F)[C@@H](CO)C2)C1=O ZINC000291768823 268303859 /nfs/dbraw/zinc/30/38/59/268303859.db2.gz LQYMBKOKYSERAM-NEPJUHHUSA-N 1 2 341.383 1.675 20 30 EDEDLO N#Cc1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)c(F)c1 ZINC000274201038 273077356 /nfs/dbraw/zinc/07/73/56/273077356.db2.gz IGEYAQMMRDLZDV-UHFFFAOYSA-N 1 2 328.365 1.128 20 30 EDEDLO C=CC[C@H]1N(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCC1(C)C ZINC000283785743 275749253 /nfs/dbraw/zinc/74/92/53/275749253.db2.gz GAMUWAFDGHCBAZ-LSDHHAIUSA-N 1 2 332.448 1.981 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NS(=O)(=O)CC1(C#N)CCCCC1 ZINC000416615304 278612213 /nfs/dbraw/zinc/61/22/13/278612213.db2.gz UAIGBYRJGNPQKX-UHFFFAOYSA-N 1 2 343.493 1.491 20 30 EDEDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000332533585 288299595 /nfs/dbraw/zinc/29/95/95/288299595.db2.gz SWYCDGFVVSNGEB-OCCSQVGLSA-N 1 2 337.420 1.945 20 30 EDEDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000332533585 288299598 /nfs/dbraw/zinc/29/95/98/288299598.db2.gz SWYCDGFVVSNGEB-OCCSQVGLSA-N 1 2 337.420 1.945 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C(C)(C)C1 ZINC000271000408 290051598 /nfs/dbraw/zinc/05/15/98/290051598.db2.gz FZDNQQNCHZRCPU-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C(C)(C)C1 ZINC000271000408 290051599 /nfs/dbraw/zinc/05/15/99/290051599.db2.gz FZDNQQNCHZRCPU-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000321452138 297091902 /nfs/dbraw/zinc/09/19/02/297091902.db2.gz YCFQHQZIOAOJLA-OCCSQVGLSA-N 1 2 337.420 1.945 20 30 EDEDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000321452138 297091904 /nfs/dbraw/zinc/09/19/04/297091904.db2.gz YCFQHQZIOAOJLA-OCCSQVGLSA-N 1 2 337.420 1.945 20 30 EDEDLO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661376988 453803034 /nfs/dbraw/zinc/80/30/34/453803034.db2.gz IUOSUSVNPLRREF-RBSFLKMASA-N 1 2 328.478 1.309 20 30 EDEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000044714719 440878297 /nfs/dbraw/zinc/87/82/97/440878297.db2.gz SSBMKYGWZYONEF-OAHLLOKOSA-N 1 2 327.432 1.334 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000450215855 447435263 /nfs/dbraw/zinc/43/52/63/447435263.db2.gz LPLXFPJATNJNDI-UHFFFAOYSA-N 1 2 329.444 1.569 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)Nc3nncs3)CC2)cc1 ZINC000071088751 441138153 /nfs/dbraw/zinc/13/81/53/441138153.db2.gz WWRCHQRFGXKJKV-UHFFFAOYSA-N 1 2 342.428 1.166 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC ZINC000047851844 441230426 /nfs/dbraw/zinc/23/04/26/441230426.db2.gz NPQJXAHWSJQNSC-QGZVFWFLSA-N 1 2 329.444 1.584 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC ZINC000047851844 441230428 /nfs/dbraw/zinc/23/04/28/441230428.db2.gz NPQJXAHWSJQNSC-QGZVFWFLSA-N 1 2 329.444 1.584 20 30 EDEDLO Cc1ccc(OCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000060634013 441253816 /nfs/dbraw/zinc/25/38/16/441253816.db2.gz SDYWSKUGUQDJJN-UHFFFAOYSA-N 1 2 345.443 1.757 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2c(c1)OCO2 ZINC000060633768 441254278 /nfs/dbraw/zinc/25/42/78/441254278.db2.gz MTOBMKZJKMXRJD-UHFFFAOYSA-N 1 2 331.372 1.103 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CCN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000081512486 441279519 /nfs/dbraw/zinc/27/95/19/441279519.db2.gz KHLYHKNHQVSIMO-UHFFFAOYSA-N 1 2 347.484 1.892 20 30 EDEDLO Cc1ccccc1OC[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000081515484 441280343 /nfs/dbraw/zinc/28/03/43/441280343.db2.gz AGZANPARTDMLDH-SFHVURJKSA-N 1 2 347.459 1.283 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH2+]C1(c2noc(C)n2)CCCCCC1 ZINC000063512170 441334818 /nfs/dbraw/zinc/33/48/18/441334818.db2.gz QGTWFFDLATXMDQ-UHFFFAOYSA-N 1 2 335.408 1.529 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)CCC(=O)c2ccc(OC)c(F)c2)CC1 ZINC000081728740 441305852 /nfs/dbraw/zinc/30/58/52/441305852.db2.gz YUAVZFHJEZTMLL-UHFFFAOYSA-N 1 2 346.402 1.965 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000073292555 441307543 /nfs/dbraw/zinc/30/75/43/441307543.db2.gz NGRBGNWRJIZKBQ-UHFFFAOYSA-N 1 2 330.413 1.612 20 30 EDEDLO C=CCNC(=O)NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000048615911 441319289 /nfs/dbraw/zinc/31/92/89/441319289.db2.gz POAQIJYYFZGZKV-RMKNXTFCSA-N 1 2 342.443 1.329 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000107432427 441416806 /nfs/dbraw/zinc/41/68/06/441416806.db2.gz XMCUTQDYFLQSMV-QGZVFWFLSA-N 1 2 336.395 1.584 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000107432427 441416808 /nfs/dbraw/zinc/41/68/08/441416808.db2.gz XMCUTQDYFLQSMV-QGZVFWFLSA-N 1 2 336.395 1.584 20 30 EDEDLO COCCCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000074348354 441424660 /nfs/dbraw/zinc/42/46/60/441424660.db2.gz ISFZJOLCRODXJA-UHFFFAOYSA-N 1 2 337.445 1.291 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)Cc1ccc(F)cc1 ZINC000065958055 441497660 /nfs/dbraw/zinc/49/76/60/441497660.db2.gz ZCPARFSICVYBHP-SFHVURJKSA-N 1 2 345.418 1.388 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)Cc1ccc(F)cc1 ZINC000065958055 441497661 /nfs/dbraw/zinc/49/76/61/441497661.db2.gz ZCPARFSICVYBHP-SFHVURJKSA-N 1 2 345.418 1.388 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000052547893 441459559 /nfs/dbraw/zinc/45/95/59/441459559.db2.gz XMIKDZIAJLPVIV-AWEZNQCLSA-N 1 2 339.403 1.070 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC000053601504 441532687 /nfs/dbraw/zinc/53/26/87/441532687.db2.gz BWROHQICWVQQSK-UHFFFAOYSA-N 1 2 331.460 1.894 20 30 EDEDLO C=CC[N@H+](CCOCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559797 441544057 /nfs/dbraw/zinc/54/40/57/441544057.db2.gz HJBAAKBPIDPGHU-MRXNPFEDSA-N 1 2 339.457 1.757 20 30 EDEDLO C=CC[N@@H+](CCOCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066559797 441544061 /nfs/dbraw/zinc/54/40/61/441544061.db2.gz HJBAAKBPIDPGHU-MRXNPFEDSA-N 1 2 339.457 1.757 20 30 EDEDLO CCn1nc(C)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000089482700 441555879 /nfs/dbraw/zinc/55/58/79/441555879.db2.gz DSCZGYCCVPUAKX-UHFFFAOYSA-N 1 2 348.451 1.600 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000067346121 441629983 /nfs/dbraw/zinc/62/99/83/441629983.db2.gz SIYFEUIGUQSCCQ-CQSZACIVSA-N 1 2 347.415 1.027 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076399576 441641048 /nfs/dbraw/zinc/64/10/48/441641048.db2.gz QCCKXWKXWCBFKV-CYBMUJFWSA-N 1 2 334.386 1.565 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000076399576 441641053 /nfs/dbraw/zinc/64/10/53/441641053.db2.gz QCCKXWKXWCBFKV-CYBMUJFWSA-N 1 2 334.386 1.565 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000076455587 441647615 /nfs/dbraw/zinc/64/76/15/441647615.db2.gz JXOLTERPZZTAQD-UHFFFAOYSA-N 1 2 343.431 1.576 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCOc2ccccc21 ZINC000076876097 441691528 /nfs/dbraw/zinc/69/15/28/441691528.db2.gz CBEKCBOGVDLVAN-KRWDZBQOSA-N 1 2 343.427 1.627 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3ccc(F)cc32)CC1 ZINC000077293472 441749774 /nfs/dbraw/zinc/74/97/74/441749774.db2.gz IJGFGQWRFHFTEQ-UHFFFAOYSA-N 1 2 329.379 1.193 20 30 EDEDLO C[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000068064694 441719891 /nfs/dbraw/zinc/71/98/91/441719891.db2.gz BUIZNFWGHXFLDS-AWEZNQCLSA-N 1 2 349.456 1.074 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(Cc2cscn2)CC1 ZINC000068333990 441776494 /nfs/dbraw/zinc/77/64/94/441776494.db2.gz PNKRQXOMCCIXDD-WMLDXEAASA-N 1 2 349.504 1.704 20 30 EDEDLO C=C(Br)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000093261495 441871525 /nfs/dbraw/zinc/87/15/25/441871525.db2.gz KRHJCHAJTXXQCZ-UHFFFAOYSA-N 1 2 340.221 1.932 20 30 EDEDLO COc1ccc(N2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC000068678566 441838427 /nfs/dbraw/zinc/83/84/27/441838427.db2.gz XAMOFSYHJZOKCN-IBGZPJMESA-N 1 2 344.459 1.872 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000043563186 441847777 /nfs/dbraw/zinc/84/77/77/441847777.db2.gz AWEVMGXQOUZWDN-CYBMUJFWSA-N 1 2 334.395 1.348 20 30 EDEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)n1 ZINC000161188907 441969985 /nfs/dbraw/zinc/96/99/85/441969985.db2.gz QROSMPVIEMPYGJ-HNNXBMFYSA-N 1 2 341.459 1.831 20 30 EDEDLO O=C(C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1)N1CCCCC1 ZINC000161027330 441948855 /nfs/dbraw/zinc/94/88/55/441948855.db2.gz XPORWPUYALKFBE-UHFFFAOYSA-N 1 2 343.446 1.807 20 30 EDEDLO C=CCCOCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000161144979 441963285 /nfs/dbraw/zinc/96/32/85/441963285.db2.gz UWROPPYOHCGUOI-SFHVURJKSA-N 1 2 347.459 1.779 20 30 EDEDLO C=CCCOCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000161144979 441963289 /nfs/dbraw/zinc/96/32/89/441963289.db2.gz UWROPPYOHCGUOI-SFHVURJKSA-N 1 2 347.459 1.779 20 30 EDEDLO C=CCC[C@@H](O)C[N@@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000151082576 442003241 /nfs/dbraw/zinc/00/32/41/442003241.db2.gz SKQIWYCZGCSXTM-CQSZACIVSA-N 1 2 347.419 1.438 20 30 EDEDLO C=CCC[C@@H](O)C[N@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000151082576 442003247 /nfs/dbraw/zinc/00/32/47/442003247.db2.gz SKQIWYCZGCSXTM-CQSZACIVSA-N 1 2 347.419 1.438 20 30 EDEDLO C=CCN(CC=C)C(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000120488117 442081581 /nfs/dbraw/zinc/08/15/81/442081581.db2.gz NULCRYUBXANCMO-KRWDZBQOSA-N 1 2 328.460 1.961 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000120488117 442081588 /nfs/dbraw/zinc/08/15/88/442081588.db2.gz NULCRYUBXANCMO-KRWDZBQOSA-N 1 2 328.460 1.961 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(Cl)cc1O ZINC000120927502 442152813 /nfs/dbraw/zinc/15/28/13/442152813.db2.gz CDYUMRQMVMQGNI-UHFFFAOYSA-N 1 2 337.807 1.734 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2Cc3ccccc3C2)CC1 ZINC000127999610 442239383 /nfs/dbraw/zinc/23/93/83/442239383.db2.gz VHYPPYOPELMNRG-GOSISDBHSA-N 1 2 326.444 1.695 20 30 EDEDLO N#CC1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCC1 ZINC000128876318 442292567 /nfs/dbraw/zinc/29/25/67/442292567.db2.gz JAUATBRLHDISJS-UHFFFAOYSA-N 1 2 340.427 1.900 20 30 EDEDLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000131373264 442371485 /nfs/dbraw/zinc/37/14/85/442371485.db2.gz CYOCDXLBONXEBJ-CYBMUJFWSA-N 1 2 333.436 1.205 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155372966 442392255 /nfs/dbraw/zinc/39/22/55/442392255.db2.gz QGEIQBUAQPUZBT-AWEZNQCLSA-N 1 2 345.369 1.925 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155372966 442392258 /nfs/dbraw/zinc/39/22/58/442392258.db2.gz QGEIQBUAQPUZBT-AWEZNQCLSA-N 1 2 345.369 1.925 20 30 EDEDLO Cc1nc2ccccc2nc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000178153117 442412070 /nfs/dbraw/zinc/41/20/70/442412070.db2.gz PHYYLWYSDKWRIU-UHFFFAOYSA-N 1 2 339.443 1.986 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000178408372 442431146 /nfs/dbraw/zinc/43/11/46/442431146.db2.gz BPOZALUUVQWPBO-UHFFFAOYSA-N 1 2 344.415 1.032 20 30 EDEDLO C#C[C@H](C)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000186075250 442457682 /nfs/dbraw/zinc/45/76/82/442457682.db2.gz MGWXXTPMYUGQEJ-AWEZNQCLSA-N 1 2 328.416 1.410 20 30 EDEDLO Cc1nc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)sc1C ZINC000157567904 442593737 /nfs/dbraw/zinc/59/37/37/442593737.db2.gz DCOHYBVZRYBTOV-ZDUSSCGKSA-N 1 2 335.477 1.643 20 30 EDEDLO CC(C)NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186558243 442560194 /nfs/dbraw/zinc/56/01/94/442560194.db2.gz YMPJTVJSIVZROU-AWEZNQCLSA-N 1 2 328.416 1.288 20 30 EDEDLO CCN(C[C@@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179278115 442611445 /nfs/dbraw/zinc/61/14/45/442611445.db2.gz LKVFMTALRXOAIZ-HOTGVXAUSA-N 1 2 329.448 1.600 20 30 EDEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000192819761 442689071 /nfs/dbraw/zinc/68/90/71/442689071.db2.gz ZXCKAPUCMXAUGP-UHFFFAOYSA-N 1 2 336.395 1.790 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000192956835 442701489 /nfs/dbraw/zinc/70/14/89/442701489.db2.gz UBMKHBIVFSDCQX-UHFFFAOYSA-N 1 2 349.394 1.808 20 30 EDEDLO CC(=O)N1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182628463 442798910 /nfs/dbraw/zinc/79/89/10/442798910.db2.gz CMYCNTCLNWTISV-KRWDZBQOSA-N 1 2 326.400 1.218 20 30 EDEDLO NC(=[NH+]OCCC1OCCCO1)c1ccc(N2CCCCC2)nc1 ZINC000267897706 442780662 /nfs/dbraw/zinc/78/06/62/442780662.db2.gz CRWIQGMVXMTFOG-UHFFFAOYSA-N 1 2 334.420 1.862 20 30 EDEDLO C#CC[N@@H+](CN1C(=O)N[C@@](C)(COC)C1=O)[C@H]1CCc2ccccc21 ZINC000247237637 442843031 /nfs/dbraw/zinc/84/30/31/442843031.db2.gz MXIYEMHMWWVLIY-LPHOPBHVSA-N 1 2 341.411 1.524 20 30 EDEDLO C#CC[N@H+](CN1C(=O)N[C@@](C)(COC)C1=O)[C@H]1CCc2ccccc21 ZINC000247237637 442843036 /nfs/dbraw/zinc/84/30/36/442843036.db2.gz MXIYEMHMWWVLIY-LPHOPBHVSA-N 1 2 341.411 1.524 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000182949766 442852417 /nfs/dbraw/zinc/85/24/17/442852417.db2.gz SPCPTNNCSRSHJE-ROUUACIJSA-N 1 2 347.459 1.605 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000268218117 442904684 /nfs/dbraw/zinc/90/46/84/442904684.db2.gz BUKQJMQSUWQFIX-UHFFFAOYSA-N 1 2 345.424 1.270 20 30 EDEDLO C=CCOc1ccccc1C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000194643395 442929866 /nfs/dbraw/zinc/92/98/66/442929866.db2.gz FWHXHTVBNIMABM-UHFFFAOYSA-N 1 2 345.443 1.535 20 30 EDEDLO C=CCOc1ccccc1C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000194643395 442929869 /nfs/dbraw/zinc/92/98/69/442929869.db2.gz FWHXHTVBNIMABM-UHFFFAOYSA-N 1 2 345.443 1.535 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000186445392 318550460 /nfs/dbraw/zinc/55/04/60/318550460.db2.gz GCYVXRPEPLNFFG-CYBMUJFWSA-N 1 2 346.862 1.996 20 30 EDEDLO C[C@@H]1CN(C(=O)COc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000266184463 443049236 /nfs/dbraw/zinc/04/92/36/443049236.db2.gz MFJKOLLTXMHACQ-PBHICJAKSA-N 1 2 329.400 1.116 20 30 EDEDLO C=CCc1cc(C(=O)NCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000198854822 443045562 /nfs/dbraw/zinc/04/55/62/443045562.db2.gz RGDSPQSDXRUVGK-UHFFFAOYSA-N 1 2 334.416 1.494 20 30 EDEDLO COC(=O)CCCc1nc(CO[NH+]=C(N)c2cccc(OC)c2)no1 ZINC000266241952 443071036 /nfs/dbraw/zinc/07/10/36/443071036.db2.gz XHCXXFGISRQLAN-UHFFFAOYSA-N 1 2 348.359 1.411 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2ncnc3cc(Cl)ccc32)CC1 ZINC000264272837 443256457 /nfs/dbraw/zinc/25/64/57/443256457.db2.gz GPNYHFWOXCWHDR-UHFFFAOYSA-N 1 2 343.818 1.155 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000246219077 443280464 /nfs/dbraw/zinc/28/04/64/443280464.db2.gz FIYYWWBWXFZTLL-DOTOQJQBSA-N 1 2 329.400 1.573 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000246219077 443280466 /nfs/dbraw/zinc/28/04/66/443280466.db2.gz FIYYWWBWXFZTLL-DOTOQJQBSA-N 1 2 329.400 1.573 20 30 EDEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000264569848 443330883 /nfs/dbraw/zinc/33/08/83/443330883.db2.gz QYNFCOPXFWKVFH-UHFFFAOYSA-N 1 2 336.395 1.942 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000264622635 443350789 /nfs/dbraw/zinc/35/07/89/443350789.db2.gz RNPGTVOCNZILLH-TZMCWYRMSA-N 1 2 327.306 1.884 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000264622635 443350794 /nfs/dbraw/zinc/35/07/94/443350794.db2.gz RNPGTVOCNZILLH-TZMCWYRMSA-N 1 2 327.306 1.884 20 30 EDEDLO Cc1oc(NC(=O)C[NH2+][C@](C)(C(N)=O)c2ccccc2)c(C#N)c1C ZINC000269620420 443368276 /nfs/dbraw/zinc/36/82/76/443368276.db2.gz NHHDKLGHWFJMNP-SFHVURJKSA-N 1 2 340.383 1.697 20 30 EDEDLO N#Cc1cc(C(F)(F)F)ccc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000278729582 443417446 /nfs/dbraw/zinc/41/74/46/443417446.db2.gz KTXRETRVOCZPCI-UHFFFAOYSA-N 1 2 326.322 1.811 20 30 EDEDLO N#Cc1cc(C(F)(F)F)ccc1NCCC[N@H+]1CCNC(=O)C1 ZINC000278729582 443417450 /nfs/dbraw/zinc/41/74/50/443417450.db2.gz KTXRETRVOCZPCI-UHFFFAOYSA-N 1 2 326.322 1.811 20 30 EDEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC1 ZINC000267345210 443426283 /nfs/dbraw/zinc/42/62/83/443426283.db2.gz FHOUMMXHVDXANG-UHFFFAOYSA-N 1 2 341.459 1.770 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC2(CCOCC2)O1 ZINC000279022696 443493533 /nfs/dbraw/zinc/49/35/33/443493533.db2.gz CEFWHOQYMFQJKP-CQSZACIVSA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC2(CCOCC2)O1 ZINC000279022696 443493536 /nfs/dbraw/zinc/49/35/36/443493536.db2.gz CEFWHOQYMFQJKP-CQSZACIVSA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000272896252 443482242 /nfs/dbraw/zinc/48/22/42/443482242.db2.gz FLELBOLJHVYNJP-HNNXBMFYSA-N 1 2 326.400 1.925 20 30 EDEDLO C[C@H]1COc2ccccc2C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000272896252 443482246 /nfs/dbraw/zinc/48/22/46/443482246.db2.gz FLELBOLJHVYNJP-HNNXBMFYSA-N 1 2 326.400 1.925 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1C ZINC000270809914 443482296 /nfs/dbraw/zinc/48/22/96/443482296.db2.gz XTAACWBWXLLYCA-OAHLLOKOSA-N 1 2 343.431 1.293 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)c1C ZINC000270809914 443482301 /nfs/dbraw/zinc/48/23/01/443482301.db2.gz XTAACWBWXLLYCA-OAHLLOKOSA-N 1 2 343.431 1.293 20 30 EDEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000271311908 443501128 /nfs/dbraw/zinc/50/11/28/443501128.db2.gz IALYGVPKDHGQKO-LJQANCHMSA-N 1 2 343.427 1.886 20 30 EDEDLO COC(=O)c1ccc2c(c1)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000271311908 443501130 /nfs/dbraw/zinc/50/11/30/443501130.db2.gz IALYGVPKDHGQKO-LJQANCHMSA-N 1 2 343.427 1.886 20 30 EDEDLO CCc1csc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000279223713 443540578 /nfs/dbraw/zinc/54/05/78/443540578.db2.gz NZEWOTCZUJLMMJ-UHFFFAOYSA-N 1 2 336.461 1.322 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000273552009 443579358 /nfs/dbraw/zinc/57/93/58/443579358.db2.gz YXQRXXIJGXMNKY-UHFFFAOYSA-N 1 2 337.401 1.066 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccnc2ccncc21 ZINC000275052344 443620118 /nfs/dbraw/zinc/62/01/18/443620118.db2.gz XHAPEOQVFIFVKW-UHFFFAOYSA-N 1 2 339.399 1.318 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000275816536 443643280 /nfs/dbraw/zinc/64/32/80/443643280.db2.gz UMCYUVSUEXAXCO-OAHLLOKOSA-N 1 2 338.371 1.967 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000275816536 443643283 /nfs/dbraw/zinc/64/32/83/443643283.db2.gz UMCYUVSUEXAXCO-OAHLLOKOSA-N 1 2 338.371 1.967 20 30 EDEDLO CCCN1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC1=O ZINC000276323469 443687475 /nfs/dbraw/zinc/68/74/75/443687475.db2.gz DRPHCNCKHSFPPQ-UHFFFAOYSA-N 1 2 328.416 1.119 20 30 EDEDLO CCCN1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC1=O ZINC000276323469 443687477 /nfs/dbraw/zinc/68/74/77/443687477.db2.gz DRPHCNCKHSFPPQ-UHFFFAOYSA-N 1 2 328.416 1.119 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280373197 443705222 /nfs/dbraw/zinc/70/52/22/443705222.db2.gz JODKPDGUOIHVBB-LBTNJELSSA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280373197 443705226 /nfs/dbraw/zinc/70/52/26/443705226.db2.gz JODKPDGUOIHVBB-LBTNJELSSA-N 1 2 329.400 1.765 20 30 EDEDLO C=CCNC(=O)c1ccc(N2CCN(C)[C@H](c3[nH+]ccn3C)C2)nc1 ZINC000280467878 443718321 /nfs/dbraw/zinc/71/83/21/443718321.db2.gz MSANJOVQQHXOMV-HNNXBMFYSA-N 1 2 340.431 1.224 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298548147 443796146 /nfs/dbraw/zinc/79/61/46/443796146.db2.gz FAUZTDOXPBQEHG-LSDHHAIUSA-N 1 2 328.478 1.332 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298548147 443796148 /nfs/dbraw/zinc/79/61/48/443796148.db2.gz FAUZTDOXPBQEHG-LSDHHAIUSA-N 1 2 328.478 1.332 20 30 EDEDLO Cc1nc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)ccc1C#N ZINC000291575271 443761613 /nfs/dbraw/zinc/76/16/13/443761613.db2.gz FKNOYOXKVAUPHX-SFHVURJKSA-N 1 2 335.411 1.610 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)[C@H]2CCCO2)cc1OC ZINC000284487078 443776671 /nfs/dbraw/zinc/77/66/71/443776671.db2.gz SFCHYGYSPZVGST-GXFFZTMASA-N 1 2 337.376 1.499 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000284491306 443777187 /nfs/dbraw/zinc/77/71/87/443777187.db2.gz IAFQQUSESMBYSK-UHFFFAOYSA-N 1 2 332.448 1.969 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000281164274 443835929 /nfs/dbraw/zinc/83/59/29/443835929.db2.gz HIBFKRJEYWKAEP-AWEZNQCLSA-N 1 2 339.399 1.194 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCc2ccccc2C)C1=O ZINC000281217324 443850157 /nfs/dbraw/zinc/85/01/57/443850157.db2.gz DNWIDZSCDKKNMZ-QGZVFWFLSA-N 1 2 329.444 1.372 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCc2ccccc2C)C1=O ZINC000281217324 443850162 /nfs/dbraw/zinc/85/01/62/443850162.db2.gz DNWIDZSCDKKNMZ-QGZVFWFLSA-N 1 2 329.444 1.372 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN([C@H]3CCN(c4sccc4C#N)C3=O)C[C@H]21 ZINC000284971506 443802856 /nfs/dbraw/zinc/80/28/56/443802856.db2.gz XSRCJFOMIJHAGO-RRFJBIMHSA-N 1 2 346.456 1.130 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN([C@H]3CCN(c4sccc4C#N)C3=O)C[C@H]21 ZINC000284971506 443802861 /nfs/dbraw/zinc/80/28/61/443802861.db2.gz XSRCJFOMIJHAGO-RRFJBIMHSA-N 1 2 346.456 1.130 20 30 EDEDLO CN1CCO[C@@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@H]21 ZINC000284971506 443802865 /nfs/dbraw/zinc/80/28/65/443802865.db2.gz XSRCJFOMIJHAGO-RRFJBIMHSA-N 1 2 346.456 1.130 20 30 EDEDLO CN1CCO[C@@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@H]21 ZINC000284971506 443802867 /nfs/dbraw/zinc/80/28/67/443802867.db2.gz XSRCJFOMIJHAGO-RRFJBIMHSA-N 1 2 346.456 1.130 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000292847580 443859571 /nfs/dbraw/zinc/85/95/71/443859571.db2.gz WCGAUDHVBVMOBX-HIFRSBDPSA-N 1 2 347.444 1.910 20 30 EDEDLO CC#CC[N@H+](C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000293051002 443912322 /nfs/dbraw/zinc/91/23/22/443912322.db2.gz HVFMIYBIBRPHAS-UHFFFAOYSA-N 1 2 326.404 1.481 20 30 EDEDLO CC#CC[N@@H+](C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000293051002 443912324 /nfs/dbraw/zinc/91/23/24/443912324.db2.gz HVFMIYBIBRPHAS-UHFFFAOYSA-N 1 2 326.404 1.481 20 30 EDEDLO CC#CC[N@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000293108163 443926625 /nfs/dbraw/zinc/92/66/25/443926625.db2.gz LMKJDFRZHOHVSL-UHFFFAOYSA-N 1 2 331.372 1.451 20 30 EDEDLO CC#CC[N@@H+](C)CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000293108163 443926626 /nfs/dbraw/zinc/92/66/26/443926626.db2.gz LMKJDFRZHOHVSL-UHFFFAOYSA-N 1 2 331.372 1.451 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000281507376 443930520 /nfs/dbraw/zinc/93/05/20/443930520.db2.gz YLAVWFOJOKVJBF-IRXDYDNUSA-N 1 2 338.411 1.382 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000281507376 443930523 /nfs/dbraw/zinc/93/05/23/443930523.db2.gz YLAVWFOJOKVJBF-IRXDYDNUSA-N 1 2 338.411 1.382 20 30 EDEDLO Cc1noc([C@]2(O)CC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000277312545 443962062 /nfs/dbraw/zinc/96/20/62/443962062.db2.gz FGEAVPMWSLVACG-GTNSWQLSSA-N 1 2 341.371 1.170 20 30 EDEDLO Cc1noc([C@]2(O)CC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000277312545 443962066 /nfs/dbraw/zinc/96/20/66/443962066.db2.gz FGEAVPMWSLVACG-GTNSWQLSSA-N 1 2 341.371 1.170 20 30 EDEDLO CC[C@H](C)NC(=O)CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000299101584 443955388 /nfs/dbraw/zinc/95/53/88/443955388.db2.gz WNJJUJQOYIKRPF-INIZCTEOSA-N 1 2 344.459 1.469 20 30 EDEDLO Cc1nc(N2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)cc[nH+]1 ZINC000281937850 444044004 /nfs/dbraw/zinc/04/40/04/444044004.db2.gz KWTNLBVMUJXCCM-UHFFFAOYSA-N 1 2 342.447 1.947 20 30 EDEDLO C=CCSCCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000299301215 444010778 /nfs/dbraw/zinc/01/07/78/444010778.db2.gz NMGIUIQUILRLFB-UHFFFAOYSA-N 1 2 336.461 1.637 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000285568404 444031991 /nfs/dbraw/zinc/03/19/91/444031991.db2.gz WCESIMKEQPACKA-AWEZNQCLSA-N 1 2 346.450 1.727 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccccc1C#N ZINC000299556275 444079066 /nfs/dbraw/zinc/07/90/66/444079066.db2.gz UHKYBMASNXHKOK-VOTSOKGWSA-N 1 2 338.411 1.646 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CN1CCc2ccccc21 ZINC000299498803 444063530 /nfs/dbraw/zinc/06/35/30/444063530.db2.gz FRSJJDNOBZPRFR-UHFFFAOYSA-N 1 2 342.443 1.124 20 30 EDEDLO CN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1ncnn1CC(F)F ZINC000562368704 321054410 /nfs/dbraw/zinc/05/44/10/321054410.db2.gz CQDMFZQQOLIYFT-UHFFFAOYSA-N 1 2 331.330 1.695 20 30 EDEDLO COC(=O)c1ccc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(C#N)n1 ZINC000564665835 321140388 /nfs/dbraw/zinc/14/03/88/321140388.db2.gz ACWPWLWWOOYLDD-CHWSQXEVSA-N 1 2 330.388 1.039 20 30 EDEDLO Cc1noc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000285860834 444132493 /nfs/dbraw/zinc/13/24/93/444132493.db2.gz YKIKZLSUFQACLP-GDBMZVCRSA-N 1 2 328.372 1.827 20 30 EDEDLO Cc1noc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)n1 ZINC000285860834 444132496 /nfs/dbraw/zinc/13/24/96/444132496.db2.gz YKIKZLSUFQACLP-GDBMZVCRSA-N 1 2 328.372 1.827 20 30 EDEDLO C=CCC(F)(F)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000294721116 444139257 /nfs/dbraw/zinc/13/92/57/444139257.db2.gz KBYFJXBBKLGZKF-UHFFFAOYSA-N 1 2 329.391 1.355 20 30 EDEDLO C=CCC(F)(F)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000294721116 444139259 /nfs/dbraw/zinc/13/92/59/444139259.db2.gz KBYFJXBBKLGZKF-UHFFFAOYSA-N 1 2 329.391 1.355 20 30 EDEDLO C#CCCOc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000294793068 444143111 /nfs/dbraw/zinc/14/31/11/444143111.db2.gz BOGOSJPNLDBYLD-APWZRJJASA-N 1 2 342.439 1.881 20 30 EDEDLO C=CCOc1ccc(CC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)cc1 ZINC000294857701 444151516 /nfs/dbraw/zinc/15/15/16/444151516.db2.gz GCFCBDQPDGHSSZ-UHFFFAOYSA-N 1 2 345.443 1.202 20 30 EDEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)(C)C(N)=O ZINC000295567071 444189176 /nfs/dbraw/zinc/18/91/76/444189176.db2.gz YLSOZIWNWZEKSG-UHFFFAOYSA-N 1 2 336.823 1.782 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)(C)C(N)=O ZINC000295567071 444189179 /nfs/dbraw/zinc/18/91/79/444189179.db2.gz YLSOZIWNWZEKSG-UHFFFAOYSA-N 1 2 336.823 1.782 20 30 EDEDLO C[N@H+](CCc1nccs1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289966443 444225416 /nfs/dbraw/zinc/22/54/16/444225416.db2.gz PZQKDUAZORJPOT-UHFFFAOYSA-N 1 2 336.442 1.358 20 30 EDEDLO C[N@@H+](CCc1nccs1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289966443 444225417 /nfs/dbraw/zinc/22/54/17/444225417.db2.gz PZQKDUAZORJPOT-UHFFFAOYSA-N 1 2 336.442 1.358 20 30 EDEDLO C#CCN(C)C(=O)C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000297636729 444311835 /nfs/dbraw/zinc/31/18/35/444311835.db2.gz AMAMKYJAKSOXQC-OAHLLOKOSA-N 1 2 338.411 1.427 20 30 EDEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000297663572 444315312 /nfs/dbraw/zinc/31/53/12/444315312.db2.gz FVHQVTLLHXYZQB-UHFFFAOYSA-N 1 2 328.372 1.076 20 30 EDEDLO CCC(=O)N[C@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000330996109 444351787 /nfs/dbraw/zinc/35/17/87/444351787.db2.gz XGBRCMPGEGYLNF-AWEZNQCLSA-N 1 2 335.452 1.944 20 30 EDEDLO Cc1ccncc1C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000331141629 444414296 /nfs/dbraw/zinc/41/42/96/444414296.db2.gz XNZYOSSSEOUBBX-GOSISDBHSA-N 1 2 343.475 1.514 20 30 EDEDLO Cc1ccncc1C[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000331141629 444414300 /nfs/dbraw/zinc/41/43/00/444414300.db2.gz XNZYOSSSEOUBBX-GOSISDBHSA-N 1 2 343.475 1.514 20 30 EDEDLO Cc1noc([C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C2CCOCC2)n1 ZINC000328952885 444421252 /nfs/dbraw/zinc/42/12/52/444421252.db2.gz IBYPENWUILEQNZ-CYBMUJFWSA-N 1 2 337.380 1.468 20 30 EDEDLO CCC1(CC)[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C[C@@H]1OC ZINC000328888445 444389371 /nfs/dbraw/zinc/38/93/71/444389371.db2.gz QDCQGPASOFAZGS-QXSJWSMHSA-N 1 2 339.480 1.899 20 30 EDEDLO CCC1(CC)[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C[C@@H]1OC ZINC000328888445 444389374 /nfs/dbraw/zinc/38/93/74/444389374.db2.gz QDCQGPASOFAZGS-QXSJWSMHSA-N 1 2 339.480 1.899 20 30 EDEDLO CC(C)c1nnc(NC(=O)CN2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)s1 ZINC000328908156 444397643 /nfs/dbraw/zinc/39/76/43/444397643.db2.gz LZMOYQDYAHLRCV-VXGBXAGGSA-N 1 2 339.465 1.654 20 30 EDEDLO CC(C)c1nnc(NC(=O)CN2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)s1 ZINC000328908156 444397649 /nfs/dbraw/zinc/39/76/49/444397649.db2.gz LZMOYQDYAHLRCV-VXGBXAGGSA-N 1 2 339.465 1.654 20 30 EDEDLO CC(C)c1nc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cs1 ZINC000331117629 444401138 /nfs/dbraw/zinc/40/11/38/444401138.db2.gz WCRDAQXMVUOXEQ-OAHLLOKOSA-N 1 2 327.450 1.654 20 30 EDEDLO C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000331226846 444450658 /nfs/dbraw/zinc/45/06/58/444450658.db2.gz FQBWBVQEQBHWLY-COXVUDFISA-N 1 2 328.416 1.787 20 30 EDEDLO C[N@@H+]1C[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H](c2ccccc2)C1 ZINC000329030946 444451915 /nfs/dbraw/zinc/45/19/15/444451915.db2.gz PQALQCGZGWNGGE-HOTGVXAUSA-N 1 2 336.457 1.866 20 30 EDEDLO C[N@H+]1C[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H](c2ccccc2)C1 ZINC000329030946 444451918 /nfs/dbraw/zinc/45/19/18/444451918.db2.gz PQALQCGZGWNGGE-HOTGVXAUSA-N 1 2 336.457 1.866 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000331341339 444467296 /nfs/dbraw/zinc/46/72/96/444467296.db2.gz SOOFNIQLOQYZKY-HSMVNMDESA-N 1 2 335.408 1.398 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000331341339 444467299 /nfs/dbraw/zinc/46/72/99/444467299.db2.gz SOOFNIQLOQYZKY-HSMVNMDESA-N 1 2 335.408 1.398 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000331341339 444467302 /nfs/dbraw/zinc/46/73/02/444467302.db2.gz SOOFNIQLOQYZKY-HSMVNMDESA-N 1 2 335.408 1.398 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000331341339 444467306 /nfs/dbraw/zinc/46/73/06/444467306.db2.gz SOOFNIQLOQYZKY-HSMVNMDESA-N 1 2 335.408 1.398 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)C1CCOCC1 ZINC000329112686 444475585 /nfs/dbraw/zinc/47/55/85/444475585.db2.gz HFLXNZPAZRVWJM-HIFRSBDPSA-N 1 2 349.435 1.012 20 30 EDEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)c1C#N ZINC000331402589 444470789 /nfs/dbraw/zinc/47/07/89/444470789.db2.gz BAANETWGZRQJSE-HZPDHXFCSA-N 1 2 346.431 1.068 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1C[C@@H]3COC[C@H](C1)O3)C2 ZINC000328689688 444430737 /nfs/dbraw/zinc/43/07/37/444430737.db2.gz IDHBWMUWRDNHFP-MELADBBJSA-N 1 2 348.447 1.509 20 30 EDEDLO C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329012177 444444757 /nfs/dbraw/zinc/44/47/57/444444757.db2.gz IOCIKEISYNVTIT-HVOFVXBASA-N 1 2 346.431 1.996 20 30 EDEDLO O=C(NCc1ccnc(-n2cccn2)c1)C1([NH+]2CCOCC2)CCC1 ZINC000329129923 444479403 /nfs/dbraw/zinc/47/94/03/444479403.db2.gz WNLOURSAYZLRKO-UHFFFAOYSA-N 1 2 341.415 1.979 20 30 EDEDLO N#Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)ccc1Cl ZINC000580194373 322022021 /nfs/dbraw/zinc/02/20/21/322022021.db2.gz KZVHUKOQYDPHQB-LLVKDONJSA-N 1 2 335.763 1.439 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cnc(C3CC3)o2)nc1 ZINC000581126805 322138932 /nfs/dbraw/zinc/13/89/32/322138932.db2.gz DODZWXZJZGWECR-UHFFFAOYSA-N 1 2 332.385 1.382 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H](C#N)CCc3ccccc3)C[C@H]21 ZINC000329210839 444502235 /nfs/dbraw/zinc/50/22/35/444502235.db2.gz YYOJSOALUIRECV-RCCFBDPRSA-N 1 2 327.428 1.690 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H](C#N)CCc3ccccc3)C[C@H]21 ZINC000329210839 444502237 /nfs/dbraw/zinc/50/22/37/444502237.db2.gz YYOJSOALUIRECV-RCCFBDPRSA-N 1 2 327.428 1.690 20 30 EDEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)cnc12 ZINC000581429811 322176908 /nfs/dbraw/zinc/17/69/08/322176908.db2.gz IBVJVFXDDCBOBO-UHFFFAOYSA-N 1 2 344.382 1.190 20 30 EDEDLO Cn1nc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c(=O)c2ccccc21 ZINC000329225164 444506376 /nfs/dbraw/zinc/50/63/76/444506376.db2.gz GABPXMQNFKJCTR-UHFFFAOYSA-N 1 2 344.415 1.349 20 30 EDEDLO COc1cnc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)s1 ZINC000329242314 444510676 /nfs/dbraw/zinc/51/06/76/444510676.db2.gz OFKXXGQYOAOMKS-MNOVXSKESA-N 1 2 326.422 1.492 20 30 EDEDLO C[C@H](NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1)C(=O)N1CCCCC1 ZINC000329244756 444511123 /nfs/dbraw/zinc/51/11/23/444511123.db2.gz QBDHDLQSMRSCFI-KBPBESRZSA-N 1 2 333.436 1.904 20 30 EDEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000340806568 444517506 /nfs/dbraw/zinc/51/75/06/444517506.db2.gz XJIYGCKUDSCCKK-ZIAGYGMSSA-N 1 2 331.416 1.709 20 30 EDEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000329268355 444517718 /nfs/dbraw/zinc/51/77/18/444517718.db2.gz DSIITGKVFMPUAQ-ZBFHGGJFSA-N 1 2 345.447 1.581 20 30 EDEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CC(=O)N(C)C2)C[C@H](C)O1 ZINC000329285007 444521079 /nfs/dbraw/zinc/52/10/79/444521079.db2.gz OCJXPSAWOORTNX-KBPBESRZSA-N 1 2 346.431 1.573 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343744070 444560640 /nfs/dbraw/zinc/56/06/40/444560640.db2.gz LDRXTIVJACQWTK-BDJLRTHQSA-N 1 2 334.424 1.133 20 30 EDEDLO Cc1ncc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c(C)n1 ZINC000329444234 444581588 /nfs/dbraw/zinc/58/15/88/444581588.db2.gz KPFLBSGVUHINDS-UHFFFAOYSA-N 1 2 345.447 1.342 20 30 EDEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NC[C@@H]1Cc2ccccc2O1 ZINC000329470690 444593467 /nfs/dbraw/zinc/59/34/67/444593467.db2.gz YZZGPGAYDRISCF-STQMWFEESA-N 1 2 344.371 1.023 20 30 EDEDLO CC[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CCO1 ZINC000329473015 444594345 /nfs/dbraw/zinc/59/43/45/444594345.db2.gz NHKADFCRPVJEPQ-HUUCEWRRSA-N 1 2 336.436 1.913 20 30 EDEDLO CC[C@@H]1C[C@@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC(=O)N1 ZINC000329583836 444638157 /nfs/dbraw/zinc/63/81/57/444638157.db2.gz LUJWXOWZTOXQGV-ZIAGYGMSSA-N 1 2 349.435 1.948 20 30 EDEDLO CC(C)OCCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343877261 444641869 /nfs/dbraw/zinc/64/18/69/444641869.db2.gz QWXNIEFRPVLMPQ-UHFFFAOYSA-N 1 2 325.434 1.474 20 30 EDEDLO CC(C)OCCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343877261 444641872 /nfs/dbraw/zinc/64/18/72/444641872.db2.gz QWXNIEFRPVLMPQ-UHFFFAOYSA-N 1 2 325.434 1.474 20 30 EDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccc(C#N)c1 ZINC000343975153 444704348 /nfs/dbraw/zinc/70/43/48/444704348.db2.gz RLAYYYHWGFENFW-UHFFFAOYSA-N 1 2 340.408 1.731 20 30 EDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1cccc(C#N)c1 ZINC000343975153 444704353 /nfs/dbraw/zinc/70/43/53/444704353.db2.gz RLAYYYHWGFENFW-UHFFFAOYSA-N 1 2 340.408 1.731 20 30 EDEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329766773 444709645 /nfs/dbraw/zinc/70/96/45/444709645.db2.gz YOYZEGWOPFQAGL-XHSDSOJGSA-N 1 2 346.431 1.035 20 30 EDEDLO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCS(=O)(=O)C1)c1ccsc1 ZINC000329802573 444722412 /nfs/dbraw/zinc/72/24/12/444722412.db2.gz ZECZJSMCCZUWQV-QWHCGFSZSA-N 1 2 345.490 1.432 20 30 EDEDLO CC1(C)C(=O)NC(=O)N1CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329871161 444747827 /nfs/dbraw/zinc/74/78/27/444747827.db2.gz AMKMFZMCEMBHDU-UHFFFAOYSA-N 1 2 326.397 1.224 20 30 EDEDLO CC1(C)C(=O)NC(=O)N1CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329871161 444747831 /nfs/dbraw/zinc/74/78/31/444747831.db2.gz AMKMFZMCEMBHDU-UHFFFAOYSA-N 1 2 326.397 1.224 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cnn(-c4ccccc4)c3)C[C@H]21 ZINC000329953121 444784358 /nfs/dbraw/zinc/78/43/58/444784358.db2.gz JCJYTBZQOUXFHZ-HZPDHXFCSA-N 1 2 327.388 1.433 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cnn(-c4ccccc4)c3)C[C@H]21 ZINC000329953121 444784364 /nfs/dbraw/zinc/78/43/64/444784364.db2.gz JCJYTBZQOUXFHZ-HZPDHXFCSA-N 1 2 327.388 1.433 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc([C@H](C)CC)n2CC)CC1 ZINC000338603837 444771027 /nfs/dbraw/zinc/77/10/27/444771027.db2.gz XTJLQRLURBRKEG-CQSZACIVSA-N 1 2 334.468 1.236 20 30 EDEDLO CCN1CCN(C(=O)NCCc2c(C)noc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329973310 444795002 /nfs/dbraw/zinc/79/50/02/444795002.db2.gz WUMWSPODWGKHIL-HNNXBMFYSA-N 1 2 346.435 1.850 20 30 EDEDLO C[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)C[NH+]1CCOCC1 ZINC000330002229 444806819 /nfs/dbraw/zinc/80/68/19/444806819.db2.gz AXQKIEQYRLCLQF-OAHLLOKOSA-N 1 2 343.493 1.348 20 30 EDEDLO N#Cc1cc(C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)ccn1 ZINC000330003948 444807903 /nfs/dbraw/zinc/80/79/03/444807903.db2.gz ARGNMLSILHDGSV-UHFFFAOYSA-N 1 2 341.415 1.202 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC2(C)CC2)CC1 ZINC000330044810 444822968 /nfs/dbraw/zinc/82/29/68/444822968.db2.gz FYBZDHYTIOIZLR-HNNXBMFYSA-N 1 2 336.480 1.719 20 30 EDEDLO CC(C)N1C(=O)C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000336884469 444831370 /nfs/dbraw/zinc/83/13/70/444831370.db2.gz BGLSQVPPUWXUMN-INIZCTEOSA-N 1 2 345.443 1.629 20 30 EDEDLO CC(C)N1C(=O)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000336884469 444831375 /nfs/dbraw/zinc/83/13/75/444831375.db2.gz BGLSQVPPUWXUMN-INIZCTEOSA-N 1 2 345.443 1.629 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC000341446365 444836529 /nfs/dbraw/zinc/83/65/29/444836529.db2.gz DFYAIHYTPSSOET-HOTGVXAUSA-N 1 2 345.443 1.829 20 30 EDEDLO C[C@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)c1nnc2n1CCCC2 ZINC000330086842 444839594 /nfs/dbraw/zinc/83/95/94/444839594.db2.gz SKIIZHORVTYTAG-LBPRGKRZSA-N 1 2 343.435 1.840 20 30 EDEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[NH+](CC(N)=O)CC1 ZINC000341457046 444841642 /nfs/dbraw/zinc/84/16/42/444841642.db2.gz NVJMOZLMKYKXJN-UHFFFAOYSA-N 1 2 349.316 1.131 20 30 EDEDLO C[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000330153789 444865477 /nfs/dbraw/zinc/86/54/77/444865477.db2.gz OGRCBHJZPULRGA-ZIAGYGMSSA-N 1 2 346.493 1.800 20 30 EDEDLO C[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000330153789 444865481 /nfs/dbraw/zinc/86/54/81/444865481.db2.gz OGRCBHJZPULRGA-ZIAGYGMSSA-N 1 2 346.493 1.800 20 30 EDEDLO C[C@H](CNC(=O)N1CCOC[C@@H](C2CCC2)C1)[NH+]1CCOCC1 ZINC000330171777 444872716 /nfs/dbraw/zinc/87/27/16/444872716.db2.gz FSIRGMZGFFUVNH-ZBFHGGJFSA-N 1 2 325.453 1.370 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330236197 444900938 /nfs/dbraw/zinc/90/09/38/444900938.db2.gz ZBZSQWBMLMLAAH-JHJVBQTASA-N 1 2 340.449 1.057 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330236197 444900942 /nfs/dbraw/zinc/90/09/42/444900942.db2.gz ZBZSQWBMLMLAAH-JHJVBQTASA-N 1 2 340.449 1.057 20 30 EDEDLO Cc1nccc(N2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)n1 ZINC000330238032 444901954 /nfs/dbraw/zinc/90/19/54/444901954.db2.gz ATGNPWZCGVXABJ-CQSZACIVSA-N 1 2 341.419 1.033 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc2cccnc2s1 ZINC000341580311 444905374 /nfs/dbraw/zinc/90/53/74/444905374.db2.gz YFPXZDDRHJREEW-UHFFFAOYSA-N 1 2 331.445 1.739 20 30 EDEDLO Cc1nnc(N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000343059954 445034103 /nfs/dbraw/zinc/03/41/03/445034103.db2.gz BUUAXJPSYTWKKL-SFHVURJKSA-N 1 2 345.447 1.865 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](CCCC)C(=O)Nc2cc(C)on2)C1=O ZINC000337235737 444997487 /nfs/dbraw/zinc/99/74/87/444997487.db2.gz XUOYUZUCGJMCHQ-LSDHHAIUSA-N 1 2 348.447 2.199 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](CCCC)C(=O)Nc2cc(C)on2)C1=O ZINC000337235737 444997491 /nfs/dbraw/zinc/99/74/91/444997491.db2.gz XUOYUZUCGJMCHQ-LSDHHAIUSA-N 1 2 348.447 2.199 20 30 EDEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC(C)(C)O1 ZINC000330514998 445014160 /nfs/dbraw/zinc/01/41/60/445014160.db2.gz DMYVSJADPTWLMY-ZQIUZPCESA-N 1 2 325.453 1.555 20 30 EDEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC(C)(C)O1 ZINC000330514998 445014164 /nfs/dbraw/zinc/01/41/64/445014164.db2.gz DMYVSJADPTWLMY-ZQIUZPCESA-N 1 2 325.453 1.555 20 30 EDEDLO COc1ccc(Br)cc1C[N@H+](C)CC(=O)NCC#N ZINC000343029302 445016442 /nfs/dbraw/zinc/01/64/42/445016442.db2.gz BBUWRIFAJXMSOU-UHFFFAOYSA-N 1 2 326.194 1.529 20 30 EDEDLO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)NCC#N ZINC000343029302 445016447 /nfs/dbraw/zinc/01/64/47/445016447.db2.gz BBUWRIFAJXMSOU-UHFFFAOYSA-N 1 2 326.194 1.529 20 30 EDEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000330657264 445083345 /nfs/dbraw/zinc/08/33/45/445083345.db2.gz VRIUDXOYEMSVAV-SJLPKXTDSA-N 1 2 336.480 1.180 20 30 EDEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000330657264 445083346 /nfs/dbraw/zinc/08/33/46/445083346.db2.gz VRIUDXOYEMSVAV-SJLPKXTDSA-N 1 2 336.480 1.180 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000337357639 445047032 /nfs/dbraw/zinc/04/70/32/445047032.db2.gz CHTGQPWXZKMBBU-CYBMUJFWSA-N 1 2 341.415 1.375 20 30 EDEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000339213285 445091789 /nfs/dbraw/zinc/09/17/89/445091789.db2.gz IEMXGJUHRAHVOC-HNNXBMFYSA-N 1 2 327.432 1.476 20 30 EDEDLO CC(=O)N1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C(C)(C)C1 ZINC000330699658 445101523 /nfs/dbraw/zinc/10/15/23/445101523.db2.gz HTVWCTJHLUJOQB-UHFFFAOYSA-N 1 2 328.416 1.117 20 30 EDEDLO CC(=O)N1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C(C)(C)C1 ZINC000330699658 445101527 /nfs/dbraw/zinc/10/15/27/445101527.db2.gz HTVWCTJHLUJOQB-UHFFFAOYSA-N 1 2 328.416 1.117 20 30 EDEDLO COC(=O)c1cc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc(C)c1C ZINC000330698641 445101815 /nfs/dbraw/zinc/10/18/15/445101815.db2.gz GAIUVMLWWBQFTP-OAHLLOKOSA-N 1 2 348.447 1.662 20 30 EDEDLO COC(=O)c1cc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc(C)c1C ZINC000330698641 445101819 /nfs/dbraw/zinc/10/18/19/445101819.db2.gz GAIUVMLWWBQFTP-OAHLLOKOSA-N 1 2 348.447 1.662 20 30 EDEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000330702053 445102532 /nfs/dbraw/zinc/10/25/32/445102532.db2.gz ZKJYAVZATVRTBX-HNNXBMFYSA-N 1 2 334.464 1.662 20 30 EDEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000330702053 445102536 /nfs/dbraw/zinc/10/25/36/445102536.db2.gz ZKJYAVZATVRTBX-HNNXBMFYSA-N 1 2 334.464 1.662 20 30 EDEDLO COC(=O)[C@]1(C)CCCN1CC#CC[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000342119988 445182677 /nfs/dbraw/zinc/18/26/77/445182677.db2.gz CEQHQSASCDEIDW-ROUUACIJSA-N 1 2 336.432 1.045 20 30 EDEDLO COC(=O)[C@]1(C)CCCN1CC#CC[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000342119988 445182680 /nfs/dbraw/zinc/18/26/80/445182680.db2.gz CEQHQSASCDEIDW-ROUUACIJSA-N 1 2 336.432 1.045 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCSC[C@H]2CO)cc1Cl ZINC000330813442 445150890 /nfs/dbraw/zinc/15/08/90/445150890.db2.gz CJKGARKCXSFWKQ-GFCCVEGCSA-N 1 2 325.821 1.560 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCSC[C@H]2CO)cc1Cl ZINC000330813442 445150892 /nfs/dbraw/zinc/15/08/92/445150892.db2.gz CJKGARKCXSFWKQ-GFCCVEGCSA-N 1 2 325.821 1.560 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000330976417 445204494 /nfs/dbraw/zinc/20/44/94/445204494.db2.gz IAEHMQSNVZIBFQ-CYBMUJFWSA-N 1 2 339.461 1.310 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000330976417 445204495 /nfs/dbraw/zinc/20/44/95/445204495.db2.gz IAEHMQSNVZIBFQ-CYBMUJFWSA-N 1 2 339.461 1.310 20 30 EDEDLO C[C@@H](C(=O)NC(N)=O)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348306462 445250559 /nfs/dbraw/zinc/25/05/59/445250559.db2.gz MGDGUZWYTSLREU-FZMZJTMJSA-N 1 2 349.822 1.106 20 30 EDEDLO CCCn1nc2c(cc1=O)C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)CC2 ZINC000362454700 445390736 /nfs/dbraw/zinc/39/07/36/445390736.db2.gz VCISIPLJHMJMRM-AWEZNQCLSA-N 1 2 345.447 1.020 20 30 EDEDLO CCCn1nc2c(cc1=O)C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)CC2 ZINC000362454700 445390739 /nfs/dbraw/zinc/39/07/39/445390739.db2.gz VCISIPLJHMJMRM-AWEZNQCLSA-N 1 2 345.447 1.020 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3c3nnc[nH]3)CC2)cc1 ZINC000360021797 445532967 /nfs/dbraw/zinc/53/29/67/445532967.db2.gz WPWQEBSJGHNCAA-JKSUJKDBSA-N 1 2 336.399 1.124 20 30 EDEDLO Cc1cc(C[NH+]2CCC(N(C)S(=O)(=O)CCCC#N)CC2)on1 ZINC000359934637 445494621 /nfs/dbraw/zinc/49/46/21/445494621.db2.gz JBKUSFLGOJFFTF-UHFFFAOYSA-N 1 2 340.449 1.513 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)c(C(F)(F)F)c1 ZINC000356133423 445638556 /nfs/dbraw/zinc/63/85/56/445638556.db2.gz XGGDCZBAOMAEJT-GFCCVEGCSA-N 1 2 347.362 1.830 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c(C(F)(F)F)c1 ZINC000356133423 445638557 /nfs/dbraw/zinc/63/85/57/445638557.db2.gz XGGDCZBAOMAEJT-GFCCVEGCSA-N 1 2 347.362 1.830 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1C#N ZINC000349757065 445667811 /nfs/dbraw/zinc/66/78/11/445667811.db2.gz JNBGLPKSKPKDAM-ZWNOBZJWSA-N 1 2 334.445 1.793 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1C#N ZINC000349757065 445667814 /nfs/dbraw/zinc/66/78/14/445667814.db2.gz JNBGLPKSKPKDAM-ZWNOBZJWSA-N 1 2 334.445 1.793 20 30 EDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)CCCC#N)CCO1 ZINC000360469813 445710272 /nfs/dbraw/zinc/71/02/72/445710272.db2.gz QCKRXFQJSFWGMY-CQSZACIVSA-N 1 2 339.436 1.181 20 30 EDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)CCCC#N)CCO1 ZINC000360469813 445710273 /nfs/dbraw/zinc/71/02/73/445710273.db2.gz QCKRXFQJSFWGMY-CQSZACIVSA-N 1 2 339.436 1.181 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000349766538 445670855 /nfs/dbraw/zinc/67/08/55/445670855.db2.gz FISXHJJWOZLEOY-UHFFFAOYSA-N 1 2 339.443 1.497 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000360678442 445721786 /nfs/dbraw/zinc/72/17/86/445721786.db2.gz DLDJFGOUZYBZSP-LBPRGKRZSA-N 1 2 332.379 1.710 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000360678442 445721789 /nfs/dbraw/zinc/72/17/89/445721789.db2.gz DLDJFGOUZYBZSP-LBPRGKRZSA-N 1 2 332.379 1.710 20 30 EDEDLO Cc1nnc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)Cc2nc(C#N)cs2)o1 ZINC000356400103 445773033 /nfs/dbraw/zinc/77/30/33/445773033.db2.gz DGRUNJZMZJTRGX-CMPLNLGQSA-N 1 2 336.396 1.755 20 30 EDEDLO Cc1nnc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)Cc2nc(C#N)cs2)o1 ZINC000356400103 445773038 /nfs/dbraw/zinc/77/30/38/445773038.db2.gz DGRUNJZMZJTRGX-CMPLNLGQSA-N 1 2 336.396 1.755 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000360738168 445730214 /nfs/dbraw/zinc/73/02/14/445730214.db2.gz ZIGAAEFMKSNRHB-SMDDNHRTSA-N 1 2 339.342 1.084 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000360738168 445730216 /nfs/dbraw/zinc/73/02/16/445730216.db2.gz ZIGAAEFMKSNRHB-SMDDNHRTSA-N 1 2 339.342 1.084 20 30 EDEDLO C=CCSCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000363373204 445781784 /nfs/dbraw/zinc/78/17/84/445781784.db2.gz HXMCHUGCKCUZSD-OAHLLOKOSA-N 1 2 345.534 1.413 20 30 EDEDLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000356518357 445836704 /nfs/dbraw/zinc/83/67/04/445836704.db2.gz LSGDQJLZEPGOFB-OAHLLOKOSA-N 1 2 337.383 1.431 20 30 EDEDLO CCCC(=O)N1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000363645096 445862313 /nfs/dbraw/zinc/86/23/13/445862313.db2.gz MNWIKAUODMBJMB-UHFFFAOYSA-N 1 2 334.464 1.663 20 30 EDEDLO CCCC(=O)N1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000363645096 445862316 /nfs/dbraw/zinc/86/23/16/445862316.db2.gz MNWIKAUODMBJMB-UHFFFAOYSA-N 1 2 334.464 1.663 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000364813733 445957916 /nfs/dbraw/zinc/95/79/16/445957916.db2.gz UCOOLNCUZXHUDV-SJLPKXTDSA-N 1 2 346.475 1.826 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000364813733 445957922 /nfs/dbraw/zinc/95/79/22/445957922.db2.gz UCOOLNCUZXHUDV-SJLPKXTDSA-N 1 2 346.475 1.826 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2nccn2C)CC1 ZINC000364813733 445957927 /nfs/dbraw/zinc/95/79/27/445957927.db2.gz UCOOLNCUZXHUDV-SJLPKXTDSA-N 1 2 346.475 1.826 20 30 EDEDLO N#Cc1ccc(CN2CC[N@@H+](C[C@@H]3CC4(CC4)C(=O)O3)CC2=O)cc1 ZINC000373034749 445987028 /nfs/dbraw/zinc/98/70/28/445987028.db2.gz JNNYDASGMHOXKP-INIZCTEOSA-N 1 2 339.395 1.298 20 30 EDEDLO N#Cc1ccc(CN2CC[N@H+](C[C@@H]3CC4(CC4)C(=O)O3)CC2=O)cc1 ZINC000373034749 445987034 /nfs/dbraw/zinc/98/70/34/445987034.db2.gz JNNYDASGMHOXKP-INIZCTEOSA-N 1 2 339.395 1.298 20 30 EDEDLO Cc1cccc(OC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)n1 ZINC000364748633 445951384 /nfs/dbraw/zinc/95/13/84/445951384.db2.gz GXBDODDYQDGJGK-UHFFFAOYSA-N 1 2 328.416 1.796 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000356788930 446021391 /nfs/dbraw/zinc/02/13/91/446021391.db2.gz WHJDNDXNODSKFC-UHFFFAOYSA-N 1 2 340.408 1.868 20 30 EDEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)cc1 ZINC000365112284 446032631 /nfs/dbraw/zinc/03/26/31/446032631.db2.gz SYWIWVPLIHFKTR-SMDDNHRTSA-N 1 2 341.371 1.796 20 30 EDEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C(N)=O)no2)cc1 ZINC000365112284 446032636 /nfs/dbraw/zinc/03/26/36/446032636.db2.gz SYWIWVPLIHFKTR-SMDDNHRTSA-N 1 2 341.371 1.796 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cnc3ccc(C#N)cn13)C[C@@H](C)O2 ZINC000369291272 446053286 /nfs/dbraw/zinc/05/32/86/446053286.db2.gz XRIVBXSQPHOPHH-QWQRMKEZSA-N 1 2 326.400 1.974 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cnc3ccc(C#N)cn13)C[C@@H](C)O2 ZINC000369291272 446053292 /nfs/dbraw/zinc/05/32/92/446053292.db2.gz XRIVBXSQPHOPHH-QWQRMKEZSA-N 1 2 326.400 1.974 20 30 EDEDLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000369319289 446069963 /nfs/dbraw/zinc/06/99/63/446069963.db2.gz MANFEXKWSCYSCE-QGTPRVQTSA-N 1 2 334.416 1.344 20 30 EDEDLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000369319289 446069964 /nfs/dbraw/zinc/06/99/64/446069964.db2.gz MANFEXKWSCYSCE-QGTPRVQTSA-N 1 2 334.416 1.344 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000373205872 446096946 /nfs/dbraw/zinc/09/69/46/446096946.db2.gz USSHLAMQPJIIEX-RDJZCZTQSA-N 1 2 332.400 1.980 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000373205872 446096951 /nfs/dbraw/zinc/09/69/51/446096951.db2.gz USSHLAMQPJIIEX-RDJZCZTQSA-N 1 2 332.400 1.980 20 30 EDEDLO CCOC(=O)CCC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000369519286 446128164 /nfs/dbraw/zinc/12/81/64/446128164.db2.gz LUZFYANWTVDBAM-FZKQIMNGSA-N 1 2 327.384 1.675 20 30 EDEDLO CCOC(=O)CCC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000369519286 446128170 /nfs/dbraw/zinc/12/81/70/446128170.db2.gz LUZFYANWTVDBAM-FZKQIMNGSA-N 1 2 327.384 1.675 20 30 EDEDLO C=CCn1cccc1C(=O)NC[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000351621575 446216528 /nfs/dbraw/zinc/21/65/28/446216528.db2.gz TWECZLYMNMSPNH-HUUCEWRRSA-N 1 2 345.422 1.750 20 30 EDEDLO Cc1[nH+]c(CNS(=O)(=O)c2ccc(C#N)s2)c2n1CCCC2 ZINC000366644460 446291570 /nfs/dbraw/zinc/29/15/70/446291570.db2.gz HHSSEHNLRNZAFU-UHFFFAOYSA-N 1 2 336.442 1.940 20 30 EDEDLO C=CCc1cc(C(=O)N[C@@H]2C[NH2+][C@@H](C(=O)OC)C2)cc(OC)c1OC ZINC000365753454 446329229 /nfs/dbraw/zinc/32/92/29/446329229.db2.gz MJKIZZGDSPIQBF-UONOGXRCSA-N 1 2 348.399 1.066 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(c3ccc(Cl)c(C#N)n3)CC2)C(=O)C1 ZINC000374803046 446400577 /nfs/dbraw/zinc/40/05/77/446400577.db2.gz STUOHZCGIIGNDO-UHFFFAOYSA-N 1 2 333.823 1.349 20 30 EDEDLO C[N@H+]1CCN(C2CCN(c3ccc(Cl)c(C#N)n3)CC2)C(=O)C1 ZINC000374803046 446400581 /nfs/dbraw/zinc/40/05/81/446400581.db2.gz STUOHZCGIIGNDO-UHFFFAOYSA-N 1 2 333.823 1.349 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000431923236 446442439 /nfs/dbraw/zinc/44/24/39/446442439.db2.gz CIZRXIJWDUIKHI-ROUUACIJSA-N 1 2 343.475 1.967 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000431923236 446442442 /nfs/dbraw/zinc/44/24/42/446442442.db2.gz CIZRXIJWDUIKHI-ROUUACIJSA-N 1 2 343.475 1.967 20 30 EDEDLO CC(C)(CNC(=O)Cn1nc(C#N)c2ccccc21)[NH+]1CCOCC1 ZINC000432461617 446470076 /nfs/dbraw/zinc/47/00/76/446470076.db2.gz INPIVECVINTKOU-UHFFFAOYSA-N 1 2 341.415 1.135 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367065192 446498924 /nfs/dbraw/zinc/49/89/24/446498924.db2.gz HHKPORAFFOVOBX-INIZCTEOSA-N 1 2 339.443 1.947 20 30 EDEDLO C[N@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1S(N)(=O)=O ZINC000432992042 446524223 /nfs/dbraw/zinc/52/42/23/446524223.db2.gz MRLNZWRQPPHDGM-UHFFFAOYSA-N 1 2 332.400 1.957 20 30 EDEDLO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1S(N)(=O)=O ZINC000432992042 446524227 /nfs/dbraw/zinc/52/42/27/446524227.db2.gz MRLNZWRQPPHDGM-UHFFFAOYSA-N 1 2 332.400 1.957 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000370946923 446537015 /nfs/dbraw/zinc/53/70/15/446537015.db2.gz IESWVUXNQLJKKS-UHFFFAOYSA-N 1 2 340.383 1.801 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3c(F)cccc32)CC1 ZINC000433607913 446590370 /nfs/dbraw/zinc/59/03/70/446590370.db2.gz YMLXLCBLGCQBCB-UHFFFAOYSA-N 1 2 329.379 1.193 20 30 EDEDLO CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)C(=O)OCC ZINC000411654220 446636425 /nfs/dbraw/zinc/63/64/25/446636425.db2.gz YBPQHBWLJBPTNU-AWEZNQCLSA-N 1 2 331.416 1.838 20 30 EDEDLO CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)C(=O)OCC ZINC000411654220 446636428 /nfs/dbraw/zinc/63/64/28/446636428.db2.gz YBPQHBWLJBPTNU-AWEZNQCLSA-N 1 2 331.416 1.838 20 30 EDEDLO C#CCCOc1ccc(CN2CCC[N@@H+](CC(=O)NC)CC2)cc1 ZINC000371382026 446821690 /nfs/dbraw/zinc/82/16/90/446821690.db2.gz XPPJKLKRAJCIKC-UHFFFAOYSA-N 1 2 329.444 1.342 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412101979 446861053 /nfs/dbraw/zinc/86/10/53/446861053.db2.gz KANUIJOEOZSISS-UKRRQHHQSA-N 1 2 336.457 1.578 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412101979 446861054 /nfs/dbraw/zinc/86/10/54/446861054.db2.gz KANUIJOEOZSISS-UKRRQHHQSA-N 1 2 336.457 1.578 20 30 EDEDLO Cc1cn2cc(NC(=O)C(=O)N(C[C@H](C)C#N)C3CC3)ccc2[nH+]1 ZINC000441916520 446881903 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1.613 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000491807460 448134709 /nfs/dbraw/zinc/13/47/09/448134709.db2.gz STACWOSCZWIIKR-OAHLLOKOSA-N 1 2 326.400 1.778 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000527048657 448145903 /nfs/dbraw/zinc/14/59/03/448145903.db2.gz MOZFQOWWPRKMLB-AWEZNQCLSA-N 1 2 345.447 1.360 20 30 EDEDLO COc1ccc(CCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(OC)c1 ZINC000576947611 448178561 /nfs/dbraw/zinc/17/85/61/448178561.db2.gz VWARIHBIEGINLD-SFHVURJKSA-N 1 2 333.432 1.987 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000558899898 448204191 /nfs/dbraw/zinc/20/41/91/448204191.db2.gz YEBZEUOAWSHQCC-SFHVURJKSA-N 1 2 328.416 1.383 20 30 EDEDLO COCCCNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000591025888 448238374 /nfs/dbraw/zinc/23/83/74/448238374.db2.gz APZYWEBWBPXRMY-KRWDZBQOSA-N 1 2 348.422 1.161 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000562383015 448249969 /nfs/dbraw/zinc/24/99/69/448249969.db2.gz LAYKODKSUKCRCW-SJLPKXTDSA-N 1 2 345.443 1.225 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000562383015 448249978 /nfs/dbraw/zinc/24/99/78/448249978.db2.gz LAYKODKSUKCRCW-SJLPKXTDSA-N 1 2 345.443 1.225 20 30 EDEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000591618377 448409995 /nfs/dbraw/zinc/40/99/95/448409995.db2.gz PBAHOCZIDNFHMZ-OCCSQVGLSA-N 1 2 332.385 1.432 20 30 EDEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cnc3c(C#N)cnn3c1)C[C@H](C)O2 ZINC000566243526 448427711 /nfs/dbraw/zinc/42/77/11/448427711.db2.gz WETIAPLRJNXNTF-GLJUWKHASA-N 1 2 341.415 1.759 20 30 EDEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cnc3c(C#N)cnn3c1)C[C@H](C)O2 ZINC000566243526 448427716 /nfs/dbraw/zinc/42/77/16/448427716.db2.gz WETIAPLRJNXNTF-GLJUWKHASA-N 1 2 341.415 1.759 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000534529780 448453611 /nfs/dbraw/zinc/45/36/11/448453611.db2.gz XORSODQRWXYVRL-HNNXBMFYSA-N 1 2 334.489 1.874 20 30 EDEDLO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000516782133 448473778 /nfs/dbraw/zinc/47/37/78/448473778.db2.gz ILSOOABNZVRZLY-INIZCTEOSA-N 1 2 331.416 1.101 20 30 EDEDLO C=CCC1(NS(=O)(=O)CCC[NH+]2CCOCC2)CCCCC1 ZINC000572830618 448473279 /nfs/dbraw/zinc/47/32/79/448473279.db2.gz HNDBJRARVWFXNU-UHFFFAOYSA-N 1 2 330.494 1.907 20 30 EDEDLO CC[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000528376596 448504850 /nfs/dbraw/zinc/50/48/50/448504850.db2.gz BPIYUWUKFKSBPV-LSDHHAIUSA-N 1 2 326.396 1.785 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000528376596 448504853 /nfs/dbraw/zinc/50/48/53/448504853.db2.gz BPIYUWUKFKSBPV-LSDHHAIUSA-N 1 2 326.396 1.785 20 30 EDEDLO C[NH+]1CCC(C#N)(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000517343072 448573275 /nfs/dbraw/zinc/57/32/75/448573275.db2.gz BNDIVKGKCZMGEQ-UHFFFAOYSA-N 1 2 345.403 1.891 20 30 EDEDLO CC[C@]1(C)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528474379 448543168 /nfs/dbraw/zinc/54/31/68/448543168.db2.gz PFQRPQOZISQSDJ-LJQANCHMSA-N 1 2 326.396 1.787 20 30 EDEDLO CC[C@]1(C)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528474379 448543174 /nfs/dbraw/zinc/54/31/74/448543174.db2.gz PFQRPQOZISQSDJ-LJQANCHMSA-N 1 2 326.396 1.787 20 30 EDEDLO COC(=O)c1nccnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000591892431 448545610 /nfs/dbraw/zinc/54/56/10/448545610.db2.gz ZRZKVTJWDYQSOX-UHFFFAOYSA-N 1 2 337.383 1.457 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528780362 448673528 /nfs/dbraw/zinc/67/35/28/448673528.db2.gz DOSLHVYXOURFHU-ZIVIXCLASA-N 1 2 331.441 1.871 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528780362 448673532 /nfs/dbraw/zinc/67/35/32/448673532.db2.gz DOSLHVYXOURFHU-ZIVIXCLASA-N 1 2 331.441 1.871 20 30 EDEDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccncc3C#N)C2)nn1 ZINC000592103843 448686377 /nfs/dbraw/zinc/68/63/77/448686377.db2.gz PRYKEWCGXMWYRP-AWEZNQCLSA-N 1 2 326.360 1.168 20 30 EDEDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccncc3C#N)C2)nn1 ZINC000592103843 448686381 /nfs/dbraw/zinc/68/63/81/448686381.db2.gz PRYKEWCGXMWYRP-AWEZNQCLSA-N 1 2 326.360 1.168 20 30 EDEDLO COc1ccc([C@@H](NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)C(C)C)cc1 ZINC000592144867 448706451 /nfs/dbraw/zinc/70/64/51/448706451.db2.gz JVHQNXFYRKTPCJ-OALUTQOASA-N 1 2 345.443 1.859 20 30 EDEDLO COc1ccc([C@@H](NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)C(C)C)cc1 ZINC000592144867 448706457 /nfs/dbraw/zinc/70/64/57/448706457.db2.gz JVHQNXFYRKTPCJ-OALUTQOASA-N 1 2 345.443 1.859 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592148631 448708989 /nfs/dbraw/zinc/70/89/89/448708989.db2.gz XVWZPGXAALSJTI-IBGZPJMESA-N 1 2 340.427 1.901 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592148631 448708994 /nfs/dbraw/zinc/70/89/94/448708994.db2.gz XVWZPGXAALSJTI-IBGZPJMESA-N 1 2 340.427 1.901 20 30 EDEDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)cccc1[N+](=O)[O-] ZINC000592149622 448710640 /nfs/dbraw/zinc/71/06/40/448710640.db2.gz SGNHXWBOHKVHEU-WBMJQRKESA-N 1 2 332.360 1.581 20 30 EDEDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)cccc1[N+](=O)[O-] ZINC000592149622 448710645 /nfs/dbraw/zinc/71/06/45/448710645.db2.gz SGNHXWBOHKVHEU-WBMJQRKESA-N 1 2 332.360 1.581 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(CN2CCCCC2=O)c1 ZINC000574151585 448802120 /nfs/dbraw/zinc/80/21/20/448802120.db2.gz VMUSHONXTPGTPH-GOSISDBHSA-N 1 2 344.459 1.817 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(CN2CCCCC2=O)c1 ZINC000574151585 448802127 /nfs/dbraw/zinc/80/21/27/448802127.db2.gz VMUSHONXTPGTPH-GOSISDBHSA-N 1 2 344.459 1.817 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000519578985 448789041 /nfs/dbraw/zinc/78/90/41/448789041.db2.gz UOFQDIIYGKKMEZ-JONQDZQNSA-N 1 2 336.411 1.040 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000519578985 448789044 /nfs/dbraw/zinc/78/90/44/448789044.db2.gz UOFQDIIYGKKMEZ-JONQDZQNSA-N 1 2 336.411 1.040 20 30 EDEDLO N#C[C@]1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC12CCCC2 ZINC000569069193 448955561 /nfs/dbraw/zinc/95/55/61/448955561.db2.gz LZDUXZIXWYBRFM-ROUUACIJSA-N 1 2 349.500 1.785 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000569236926 448987488 /nfs/dbraw/zinc/98/74/88/448987488.db2.gz FVPPXNWARPRUON-HIFRSBDPSA-N 1 2 347.444 1.435 20 30 EDEDLO N#CCCN(Cc1cccnc1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000574896734 448984771 /nfs/dbraw/zinc/98/47/71/448984771.db2.gz HGQLBLWKUZEJRN-UHFFFAOYSA-N 1 2 348.366 1.610 20 30 EDEDLO Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000575069132 449028593 /nfs/dbraw/zinc/02/85/93/449028593.db2.gz OTOAXCPKUCYGDH-INIZCTEOSA-N 1 2 342.443 1.400 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C(C)C)n2C2CC2)CC1 ZINC000569252815 448989709 /nfs/dbraw/zinc/98/97/09/448989709.db2.gz MLBBEVFQIMSHSI-UHFFFAOYSA-N 1 2 332.452 1.161 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000548730899 449092928 /nfs/dbraw/zinc/09/29/28/449092928.db2.gz SZKOZZMBOXJEQN-KSSFIOAISA-N 1 2 334.464 1.374 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000548730899 449092934 /nfs/dbraw/zinc/09/29/34/449092934.db2.gz SZKOZZMBOXJEQN-KSSFIOAISA-N 1 2 334.464 1.374 20 30 EDEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4cc[nH]n4)CC3)n[nH]2)cc1 ZINC000595731782 449135759 /nfs/dbraw/zinc/13/57/59/449135759.db2.gz GOJQLJCSZRXWSO-UHFFFAOYSA-N 1 2 333.399 1.994 20 30 EDEDLO COC(=O)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCCCC1 ZINC000595665136 449108059 /nfs/dbraw/zinc/10/80/59/449108059.db2.gz WQXHAIIPVNBRRO-UHFFFAOYSA-N 1 2 343.427 1.982 20 30 EDEDLO COC(=O)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCCCC1 ZINC000595665136 449108062 /nfs/dbraw/zinc/10/80/62/449108062.db2.gz WQXHAIIPVNBRRO-UHFFFAOYSA-N 1 2 343.427 1.982 20 30 EDEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccccc1-n1cnc(C#N)n1)CC2 ZINC000599950496 449123308 /nfs/dbraw/zinc/12/33/08/449123308.db2.gz GBOOLORDKUOLAW-ZDUSSCGKSA-N 1 2 347.382 1.845 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CCC[C@H]1C#N ZINC000601806881 449163005 /nfs/dbraw/zinc/16/30/05/449163005.db2.gz JGJPNOFQENNPEV-JKSUJKDBSA-N 1 2 327.432 1.354 20 30 EDEDLO Cn1nccc1[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000593112028 449140279 /nfs/dbraw/zinc/14/02/79/449140279.db2.gz NCCOMBOGAYPRHJ-QGZVFWFLSA-N 1 2 339.399 1.694 20 30 EDEDLO Cn1nccc1[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000593112028 449140283 /nfs/dbraw/zinc/14/02/83/449140283.db2.gz NCCOMBOGAYPRHJ-QGZVFWFLSA-N 1 2 339.399 1.694 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2COCCO2)c1C ZINC000595743836 449143340 /nfs/dbraw/zinc/14/33/40/449143340.db2.gz RDNCNSOTIZLXLD-QGZVFWFLSA-N 1 2 345.443 1.897 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2COCCO2)c1C ZINC000595743836 449143342 /nfs/dbraw/zinc/14/33/42/449143342.db2.gz RDNCNSOTIZLXLD-QGZVFWFLSA-N 1 2 345.443 1.897 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000595832367 449196180 /nfs/dbraw/zinc/19/61/80/449196180.db2.gz BKOOHSYUKNKXIL-SFHVURJKSA-N 1 2 331.416 1.898 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000595832367 449196183 /nfs/dbraw/zinc/19/61/83/449196183.db2.gz BKOOHSYUKNKXIL-SFHVURJKSA-N 1 2 331.416 1.898 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000611170259 449197173 /nfs/dbraw/zinc/19/71/73/449197173.db2.gz UOTRQSDMORXCDY-GOSISDBHSA-N 1 2 347.484 1.501 20 30 EDEDLO COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000595835248 449197640 /nfs/dbraw/zinc/19/76/40/449197640.db2.gz NVKFQMVFYHHNLF-UGSOOPFHSA-N 1 2 331.416 1.944 20 30 EDEDLO COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000595835248 449197645 /nfs/dbraw/zinc/19/76/45/449197645.db2.gz NVKFQMVFYHHNLF-UGSOOPFHSA-N 1 2 331.416 1.944 20 30 EDEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000604271935 449199429 /nfs/dbraw/zinc/19/94/29/449199429.db2.gz FCQJQOJIACBZCI-UHFFFAOYSA-N 1 2 328.416 1.770 20 30 EDEDLO N#Cc1cscc1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601888690 449206974 /nfs/dbraw/zinc/20/69/74/449206974.db2.gz UWWMGDXRIODGPH-UHFFFAOYSA-N 1 2 327.413 1.410 20 30 EDEDLO CC(C)(C#N)C[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000600143483 449213107 /nfs/dbraw/zinc/21/31/07/449213107.db2.gz CLWVKWUEQNJJPS-UHFFFAOYSA-N 1 2 337.383 1.845 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996574 449181599 /nfs/dbraw/zinc/18/15/99/449181599.db2.gz JKIHVDITJSZXNP-ZNMIVQPWSA-N 1 2 331.416 1.551 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996574 449181604 /nfs/dbraw/zinc/18/16/04/449181604.db2.gz JKIHVDITJSZXNP-ZNMIVQPWSA-N 1 2 331.416 1.551 20 30 EDEDLO CCC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611225582 449224780 /nfs/dbraw/zinc/22/47/80/449224780.db2.gz GYAVQUAOTLOGFK-RDJZCZTQSA-N 1 2 331.416 1.093 20 30 EDEDLO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611225582 449224786 /nfs/dbraw/zinc/22/47/86/449224786.db2.gz GYAVQUAOTLOGFK-RDJZCZTQSA-N 1 2 331.416 1.093 20 30 EDEDLO N#Cc1c(F)cccc1CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000602016056 449276966 /nfs/dbraw/zinc/27/69/66/449276966.db2.gz SEBNEOMWSKHJEI-UHFFFAOYSA-N 1 2 329.379 1.838 20 30 EDEDLO N#CCCN1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000602197969 449426139 /nfs/dbraw/zinc/42/61/39/449426139.db2.gz FAGYYRRCYWEIND-UHFFFAOYSA-N 1 2 325.372 1.249 20 30 EDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCN(CCC#N)CC1 ZINC000602204005 449432600 /nfs/dbraw/zinc/43/26/00/449432600.db2.gz FVHCFTYKZJLMAY-UHFFFAOYSA-N 1 2 325.416 1.657 20 30 EDEDLO C=CCCC1(CNC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000611690067 449383655 /nfs/dbraw/zinc/38/36/55/449383655.db2.gz GHUPFBLVDXBLCV-OAHLLOKOSA-N 1 2 344.459 1.957 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]C[C@H](n2cccn2)C(F)(F)F)C(N)=O)cc1 ZINC000600603861 449456792 /nfs/dbraw/zinc/45/67/92/449456792.db2.gz VGIAUVCVVLTZMA-STQMWFEESA-N 1 2 337.305 1.674 20 30 EDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000598606184 449487963 /nfs/dbraw/zinc/48/79/63/449487963.db2.gz JQTMWZVZWMQOPC-QWHCGFSZSA-N 1 2 347.419 1.399 20 30 EDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000598606184 449487970 /nfs/dbraw/zinc/48/79/70/449487970.db2.gz JQTMWZVZWMQOPC-QWHCGFSZSA-N 1 2 347.419 1.399 20 30 EDEDLO N#Cc1ccncc1NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596516582 449538549 /nfs/dbraw/zinc/53/85/49/449538549.db2.gz VHDJPHJOQNKHIY-IBGZPJMESA-N 1 2 338.411 1.629 20 30 EDEDLO N#Cc1ccncc1NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596516582 449538552 /nfs/dbraw/zinc/53/85/52/449538552.db2.gz VHDJPHJOQNKHIY-IBGZPJMESA-N 1 2 338.411 1.629 20 30 EDEDLO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000598628455 449506266 /nfs/dbraw/zinc/50/62/66/449506266.db2.gz NUCQWAVQFCXEKW-LLVKDONJSA-N 1 2 343.474 1.054 20 30 EDEDLO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000598628455 449506268 /nfs/dbraw/zinc/50/62/68/449506268.db2.gz NUCQWAVQFCXEKW-LLVKDONJSA-N 1 2 343.474 1.054 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000602332012 449520880 /nfs/dbraw/zinc/52/08/80/449520880.db2.gz IZEWEUKVIWEWSA-YJBOKZPZSA-N 1 2 328.416 1.109 20 30 EDEDLO CCNC(=O)C[NH+]1CCN(c2cccc(-n3cccn3)c2C#N)CC1 ZINC000594543116 449569347 /nfs/dbraw/zinc/56/93/47/449569347.db2.gz XYXBJWSZCFIWEK-UHFFFAOYSA-N 1 2 338.415 1.002 20 30 EDEDLO Cc1nc(S(=O)(=O)N2CC[NH+](C[C@@H](C)CCC#N)CC2)cs1 ZINC000602464966 449611427 /nfs/dbraw/zinc/61/14/27/449611427.db2.gz ITOVLCYKPICGIH-LBPRGKRZSA-N 1 2 342.490 1.698 20 30 EDEDLO Cc1c(Br)cncc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000598836274 449614792 /nfs/dbraw/zinc/61/47/92/449614792.db2.gz FHZMJYVBVXJDMV-ZDUSSCGKSA-N 1 2 325.210 1.726 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)CCN1c1nccn2cnnc12 ZINC000602483778 449626589 /nfs/dbraw/zinc/62/65/89/449626589.db2.gz LETYSIMXFJJEML-ZDUSSCGKSA-N 1 2 334.387 1.102 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CCN1c1nccn2cnnc12 ZINC000602483778 449626593 /nfs/dbraw/zinc/62/65/93/449626593.db2.gz LETYSIMXFJJEML-ZDUSSCGKSA-N 1 2 334.387 1.102 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000594794443 449704827 /nfs/dbraw/zinc/70/48/27/449704827.db2.gz FMYLHEISQIRRGG-CQSZACIVSA-N 1 2 349.456 1.432 20 30 EDEDLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000594794443 449704834 /nfs/dbraw/zinc/70/48/34/449704834.db2.gz FMYLHEISQIRRGG-CQSZACIVSA-N 1 2 349.456 1.432 20 30 EDEDLO CCc1c[nH]c(=O)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000597022905 449771627 /nfs/dbraw/zinc/77/16/27/449771627.db2.gz QXTZMOSLHCFOHS-UHFFFAOYSA-N 1 2 332.404 1.038 20 30 EDEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc4n(n3)CCC4)C2=O)cc1 ZINC000594937399 449813440 /nfs/dbraw/zinc/81/34/40/449813440.db2.gz IMTWGSQOZYLUEC-SFHVURJKSA-N 1 2 335.411 1.592 20 30 EDEDLO Cc1cn2ccc(NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)cc2[nH+]1 ZINC000594996009 449835279 /nfs/dbraw/zinc/83/52/79/449835279.db2.gz QCURNXFMMKMNJP-QGZVFWFLSA-N 1 2 325.372 1.734 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ncc(C3CC3)o2)c1=O ZINC000594901870 449800863 /nfs/dbraw/zinc/80/08/63/449800863.db2.gz NNVWLRASQXAARJ-UHFFFAOYSA-N 1 2 340.383 1.466 20 30 EDEDLO CCc1nnc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)s1 ZINC000594901901 449801296 /nfs/dbraw/zinc/80/12/96/449801296.db2.gz QKLIBTBRKAEWRZ-UHFFFAOYSA-N 1 2 345.428 1.014 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N3CCC[C@@H](CC#N)C3)ccc2n1C ZINC000595081770 449860512 /nfs/dbraw/zinc/86/05/12/449860512.db2.gz JBRDKTQYXPOXLE-ZDUSSCGKSA-N 1 2 339.399 1.973 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856212 449864420 /nfs/dbraw/zinc/86/44/20/449864420.db2.gz JHBYWCBWDUIOQM-HRCADAONSA-N 1 2 331.464 1.636 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)N1CC#N ZINC000602858860 449867366 /nfs/dbraw/zinc/86/73/66/449867366.db2.gz CGKKVCJBYQZVMM-HZSPNIEDSA-N 1 2 346.397 1.705 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)N1CC#N ZINC000602858860 449867373 /nfs/dbraw/zinc/86/73/73/449867373.db2.gz CGKKVCJBYQZVMM-HZSPNIEDSA-N 1 2 346.397 1.705 20 30 EDEDLO COc1cc(NC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc(OC)c1 ZINC000602858901 449868317 /nfs/dbraw/zinc/86/83/17/449868317.db2.gz CMORQLVIMAHXEP-KBPBESRZSA-N 1 2 346.431 1.560 20 30 EDEDLO C[C@H](CC#N)[NH2+]CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000602861360 449871563 /nfs/dbraw/zinc/87/15/63/449871563.db2.gz HISNEKQOMIQQNZ-CQSZACIVSA-N 1 2 334.464 1.566 20 30 EDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)CCOCC1 ZINC000599322370 449890964 /nfs/dbraw/zinc/89/09/64/449890964.db2.gz ZFMAVELSZULPCR-ROUUACIJSA-N 1 2 346.427 1.837 20 30 EDEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)CCOCC1 ZINC000599322370 449890969 /nfs/dbraw/zinc/89/09/69/449890969.db2.gz ZFMAVELSZULPCR-ROUUACIJSA-N 1 2 346.427 1.837 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000601377754 449892853 /nfs/dbraw/zinc/89/28/53/449892853.db2.gz FISRUKMPMWGVJU-GFCCVEGCSA-N 1 2 348.403 1.918 20 30 EDEDLO N#Cc1sccc1N1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602885287 449893101 /nfs/dbraw/zinc/89/31/01/449893101.db2.gz SORNHQXEDSDGQK-HNNXBMFYSA-N 1 2 330.457 1.895 20 30 EDEDLO C[C@@]1(C#N)CCN(C(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000595184452 449929465 /nfs/dbraw/zinc/92/94/65/449929465.db2.gz UVRSNRNTMMCUPT-IBGZPJMESA-N 1 2 340.427 1.093 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)c1ccccc1 ZINC000609282042 449997363 /nfs/dbraw/zinc/99/73/63/449997363.db2.gz RJVJCZAVTOWVSE-GJZGRUSLSA-N 1 2 325.372 1.443 20 30 EDEDLO COCCOc1cccc(CNC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602977358 449976942 /nfs/dbraw/zinc/97/69/42/449976942.db2.gz AHNBNLRKNUKLLJ-AEFFLSMTSA-N 1 2 345.443 1.952 20 30 EDEDLO COCCOc1cccc(CNC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602977358 449976945 /nfs/dbraw/zinc/97/69/45/449976945.db2.gz AHNBNLRKNUKLLJ-AEFFLSMTSA-N 1 2 345.443 1.952 20 30 EDEDLO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1nc(C#N)cs1 ZINC000599445823 449981491 /nfs/dbraw/zinc/98/14/91/449981491.db2.gz RHLWQKABINKOIO-OAHLLOKOSA-N 1 2 325.401 1.619 20 30 EDEDLO CC(C)(C)n1nnc(CC[NH+]2CCN(c3ncccc3C#N)CC2)n1 ZINC000595287433 450002969 /nfs/dbraw/zinc/00/29/69/450002969.db2.gz IGYNNQFKYPEPNV-UHFFFAOYSA-N 1 2 340.435 1.059 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)NCCCc2ccccc2)CC1 ZINC000609485262 450037257 /nfs/dbraw/zinc/03/72/57/450037257.db2.gz LYNCYHLRDUOJDG-LJQANCHMSA-N 1 2 342.487 1.901 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C(=O)N(C)C)c2ccccc2)CC1 ZINC000609537984 450046017 /nfs/dbraw/zinc/04/60/17/450046017.db2.gz GRJFLMVBQVGPJH-QZTJIDSGSA-N 1 2 328.460 1.982 20 30 EDEDLO CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000599539884 450048109 /nfs/dbraw/zinc/04/81/09/450048109.db2.gz RCNNPBHGNDNHTD-INIZCTEOSA-N 1 2 330.432 1.618 20 30 EDEDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000599539884 450048119 /nfs/dbraw/zinc/04/81/19/450048119.db2.gz RCNNPBHGNDNHTD-INIZCTEOSA-N 1 2 330.432 1.618 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000599575303 450078527 /nfs/dbraw/zinc/07/85/27/450078527.db2.gz UHLPDIAUEAGDPA-UHFFFAOYSA-N 1 2 328.351 1.225 20 30 EDEDLO Cc1cc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)ncc1C#N ZINC000603119771 450081812 /nfs/dbraw/zinc/08/18/12/450081812.db2.gz NNAZYFAYLZVOKM-UHFFFAOYSA-N 1 2 336.399 2.447 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000599582850 450083340 /nfs/dbraw/zinc/08/33/40/450083340.db2.gz RTNNGPREHUMEJN-CVEARBPZSA-N 1 2 330.384 1.527 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000599582850 450083347 /nfs/dbraw/zinc/08/33/47/450083347.db2.gz RTNNGPREHUMEJN-CVEARBPZSA-N 1 2 330.384 1.527 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)c1C#N ZINC000615468721 450106745 /nfs/dbraw/zinc/10/67/45/450106745.db2.gz SHKZWOAAPJPBAB-ZIAGYGMSSA-N 1 2 328.416 1.616 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C[C@@H](C)O)[C@H](C)CO)c1C#N ZINC000615468721 450106752 /nfs/dbraw/zinc/10/67/52/450106752.db2.gz SHKZWOAAPJPBAB-ZIAGYGMSSA-N 1 2 328.416 1.616 20 30 EDEDLO N#CCc1cccc2c1CC[N@@H+](CC1(O)CCS(=O)(=O)CC1)C2 ZINC000599677532 450145175 /nfs/dbraw/zinc/14/51/75/450145175.db2.gz KVOXOHUNHUMANU-UHFFFAOYSA-N 1 2 334.441 1.050 20 30 EDEDLO N#CCc1cccc2c1CC[N@H+](CC1(O)CCS(=O)(=O)CC1)C2 ZINC000599677532 450145180 /nfs/dbraw/zinc/14/51/80/450145180.db2.gz KVOXOHUNHUMANU-UHFFFAOYSA-N 1 2 334.441 1.050 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601641861 450135749 /nfs/dbraw/zinc/13/57/49/450135749.db2.gz DQCJNKFNMJJKJE-SFHVURJKSA-N 1 2 347.484 1.807 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000603278073 450204092 /nfs/dbraw/zinc/20/40/92/450204092.db2.gz PXRJLUFJPCRSGD-UHFFFAOYSA-N 1 2 348.428 1.233 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC000597713685 450216312 /nfs/dbraw/zinc/21/63/12/450216312.db2.gz FRYZCYCTEUKGBH-KRWDZBQOSA-N 1 2 346.456 1.939 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1C#N ZINC000597713685 450216314 /nfs/dbraw/zinc/21/63/14/450216314.db2.gz FRYZCYCTEUKGBH-KRWDZBQOSA-N 1 2 346.456 1.939 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2COC)CC1 ZINC000603298915 450224490 /nfs/dbraw/zinc/22/44/90/450224490.db2.gz ZJWCVKDXMHDNKO-UHFFFAOYSA-N 1 2 331.416 1.780 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2COC)CC1 ZINC000603298915 450224495 /nfs/dbraw/zinc/22/44/95/450224495.db2.gz ZJWCVKDXMHDNKO-UHFFFAOYSA-N 1 2 331.416 1.780 20 30 EDEDLO CCC(=O)N[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000603696978 450342219 /nfs/dbraw/zinc/34/22/19/450342219.db2.gz VOSWGDSIRCZDTH-CQSZACIVSA-N 1 2 328.416 1.117 20 30 EDEDLO C=CC(C)(C)CNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624155887 450727449 /nfs/dbraw/zinc/72/74/49/450727449.db2.gz IIYPBKVWXDWBNA-INIZCTEOSA-N 1 2 332.448 1.794 20 30 EDEDLO C=CC(C)(C)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624155887 450727454 /nfs/dbraw/zinc/72/74/54/450727454.db2.gz IIYPBKVWXDWBNA-INIZCTEOSA-N 1 2 332.448 1.794 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccccc2OCC)nn1 ZINC000640888149 451674188 /nfs/dbraw/zinc/67/41/88/451674188.db2.gz RXUQONLFICLMCL-CQSZACIVSA-N 1 2 341.415 1.989 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2nc3c(cccc3F)n2CC)nn1 ZINC000641037787 451737404 /nfs/dbraw/zinc/73/74/04/451737404.db2.gz YGGNOOGPBFYHEM-UHFFFAOYSA-N 1 2 326.379 1.948 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000645140953 452173971 /nfs/dbraw/zinc/17/39/71/452173971.db2.gz RCWMKNGKKOUGIC-KRWDZBQOSA-N 1 2 326.400 1.505 20 30 EDEDLO C=CCOCCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000660449328 453320035 /nfs/dbraw/zinc/32/00/35/453320035.db2.gz YWBSQIBDXJMHBF-INIZCTEOSA-N 1 2 343.493 1.086 20 30 EDEDLO C=CCn1cc(CNC(=O)NCc2ccc[nH+]c2N2CCCC2)nn1 ZINC000661338394 453795350 /nfs/dbraw/zinc/79/53/50/453795350.db2.gz IGPDWZAIYVULCF-UHFFFAOYSA-N 1 2 341.419 1.459 20 30 EDEDLO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661376988 453803032 /nfs/dbraw/zinc/80/30/32/453803032.db2.gz IUOSUSVNPLRREF-RBSFLKMASA-N 1 2 328.478 1.309 20 30 EDEDLO C=CCC[C@@H](C)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)[nH+]c1 ZINC000680469609 486784450 /nfs/dbraw/zinc/78/44/50/486784450.db2.gz BJFKJEFFLMRZCL-CQSZACIVSA-N 1 2 338.477 1.930 20 30 EDEDLO C=CCOc1ccc(C[NH+]2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000678133344 487254865 /nfs/dbraw/zinc/25/48/65/487254865.db2.gz GANWWZBXJMQKRQ-UHFFFAOYSA-N 1 2 339.461 1.175 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000669278146 485917224 /nfs/dbraw/zinc/91/72/24/485917224.db2.gz VQZYRPHWQDBVRN-UHFFFAOYSA-N 1 2 346.431 1.007 20 30 EDEDLO C#CC[NH+]1CCN(CN2C[C@H](Cc3cccc(F)c3)OC2=O)CC1 ZINC000491565809 486587162 /nfs/dbraw/zinc/58/71/62/486587162.db2.gz CLDRFHGNWPCZQX-KRWDZBQOSA-N 1 2 331.391 1.397 20 30 EDEDLO C#CCN(CC#CC)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000491767223 486588733 /nfs/dbraw/zinc/58/87/33/486588733.db2.gz IFDAOMVFBFQJDS-INIZCTEOSA-N 1 2 340.427 1.475 20 30 EDEDLO C=C1CC[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000264487139 534461858 /nfs/dbraw/zinc/46/18/58/534461858.db2.gz ROTPALDQSPGLGM-UHFFFAOYSA-N 1 2 331.372 1.758 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NCc1cccc(C#N)c1 ZINC000340155492 534910465 /nfs/dbraw/zinc/91/04/65/534910465.db2.gz LFZXSYGJTHUPDB-UHFFFAOYSA-N 1 2 339.399 1.343 20 30 EDEDLO C=CC[N@H+](Cc1c[nH]nc1-c1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361555 526332339 /nfs/dbraw/zinc/33/23/39/526332339.db2.gz BOGHOVWFABGXOX-OAHLLOKOSA-N 1 2 332.429 1.647 20 30 EDEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361555 526332342 /nfs/dbraw/zinc/33/23/42/526332342.db2.gz BOGHOVWFABGXOX-OAHLLOKOSA-N 1 2 332.429 1.647 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000126122831 526632513 /nfs/dbraw/zinc/63/25/13/526632513.db2.gz VNLINYHFTIASPK-AWEZNQCLSA-N 1 2 333.407 1.664 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000126122831 526632518 /nfs/dbraw/zinc/63/25/18/526632518.db2.gz VNLINYHFTIASPK-AWEZNQCLSA-N 1 2 333.407 1.664 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)c2ccccc2)CC1 ZINC000112904554 526992278 /nfs/dbraw/zinc/99/22/78/526992278.db2.gz DGMRMADTAYPLMS-KRWDZBQOSA-N 1 2 341.455 1.464 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)c2ccccc2)CC1 ZINC000112904554 526992285 /nfs/dbraw/zinc/99/22/85/526992285.db2.gz DGMRMADTAYPLMS-KRWDZBQOSA-N 1 2 341.455 1.464 20 30 EDEDLO C=CCN(CC=C)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000132867989 527605544 /nfs/dbraw/zinc/60/55/44/527605544.db2.gz SCBNKCHUBXMSOY-UHFFFAOYSA-N 1 2 342.443 1.711 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112351818 528358865 /nfs/dbraw/zinc/35/88/65/528358865.db2.gz FKVIYQYYZOYLAA-UHFFFAOYSA-N 1 2 348.472 1.658 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112351818 528358870 /nfs/dbraw/zinc/35/88/70/528358870.db2.gz FKVIYQYYZOYLAA-UHFFFAOYSA-N 1 2 348.472 1.658 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCn3cccc3[C@@H]2C)CC1 ZINC000246183927 535124184 /nfs/dbraw/zinc/12/41/84/535124184.db2.gz WNAUHCAKFWFZMJ-FUHWJXTLSA-N 1 2 343.475 1.557 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCn3cccc3[C@@H]2C)CC1 ZINC000246183927 535124189 /nfs/dbraw/zinc/12/41/89/535124189.db2.gz WNAUHCAKFWFZMJ-FUHWJXTLSA-N 1 2 343.475 1.557 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1C ZINC000343714762 535780202 /nfs/dbraw/zinc/78/02/02/535780202.db2.gz PXGDZYRZYSCFGG-KBPBESRZSA-N 1 2 336.461 1.141 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(CCS(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1C ZINC000343714762 535780204 /nfs/dbraw/zinc/78/02/04/535780204.db2.gz PXGDZYRZYSCFGG-KBPBESRZSA-N 1 2 336.461 1.141 20 30 EDEDLO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)o3)CC2)cn1 ZINC000339992294 536054631 /nfs/dbraw/zinc/05/46/31/536054631.db2.gz HEMLDBXMUOXNEC-UHFFFAOYSA-N 1 2 327.388 1.716 20 30 EDEDLO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)o3)CC2)cn1 ZINC000339992294 536054634 /nfs/dbraw/zinc/05/46/34/536054634.db2.gz HEMLDBXMUOXNEC-UHFFFAOYSA-N 1 2 327.388 1.716 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000270988692 536878492 /nfs/dbraw/zinc/87/84/92/536878492.db2.gz DKXSPQDIXLWDCG-HNNXBMFYSA-N 1 2 337.445 1.471 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000270988692 536878494 /nfs/dbraw/zinc/87/84/94/536878494.db2.gz DKXSPQDIXLWDCG-HNNXBMFYSA-N 1 2 337.445 1.471 20 30 EDEDLO Oc1cccc2c1CCCC2=NNC(=S)NCC[NH+]1CCOCC1 ZINC000743425084 579479811 /nfs/dbraw/zinc/47/98/11/579479811.db2.gz FFOBFNBQPOFAFO-UHFFFAOYSA-N 1 2 348.472 1.229 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC000728860535 578553187 /nfs/dbraw/zinc/55/31/87/578553187.db2.gz FUIOZDMLCHKUPN-QGZVFWFLSA-N 1 2 331.441 1.001 20 30 EDEDLO COc1ccc(OC)c([C@@H](O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000732203746 578697420 /nfs/dbraw/zinc/69/74/20/578697420.db2.gz HMCMYOZVVYZDAF-MSOLQXFVSA-N 1 2 347.459 1.903 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)CC1 ZINC000733161727 578746191 /nfs/dbraw/zinc/74/61/91/578746191.db2.gz YBJOXXUKHZHALO-DLBZAZTESA-N 1 2 331.460 1.193 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000760818164 580038874 /nfs/dbraw/zinc/03/88/74/580038874.db2.gz OFBUCPXKMBCWNM-OAHLLOKOSA-N 1 2 334.441 1.363 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000760818164 580038875 /nfs/dbraw/zinc/03/88/75/580038875.db2.gz OFBUCPXKMBCWNM-OAHLLOKOSA-N 1 2 334.441 1.363 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000735693216 578912058 /nfs/dbraw/zinc/91/20/58/578912058.db2.gz XSFHWYOXELTVTE-MRXNPFEDSA-N 1 2 343.410 1.672 20 30 EDEDLO CC1(C)CC(=NN[C@H]2CCS(=O)(=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000761248828 580052920 /nfs/dbraw/zinc/05/29/20/580052920.db2.gz GXAOEHQCNGUVIE-HNNXBMFYSA-N 1 2 335.473 1.804 20 30 EDEDLO CC1(C)CC(=NN[C@H]2CCS(=O)(=O)C2)C[N@H+]1Cc1ccccc1 ZINC000761248828 580052921 /nfs/dbraw/zinc/05/29/21/580052921.db2.gz GXAOEHQCNGUVIE-HNNXBMFYSA-N 1 2 335.473 1.804 20 30 EDEDLO CC(C)C[N@H+](CCC#N)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000739914299 579267293 /nfs/dbraw/zinc/26/72/93/579267293.db2.gz HKFZJIUBKFSBIJ-UHFFFAOYSA-N 1 2 346.387 1.935 20 30 EDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000739914299 579267294 /nfs/dbraw/zinc/26/72/94/579267294.db2.gz HKFZJIUBKFSBIJ-UHFFFAOYSA-N 1 2 346.387 1.935 20 30 EDEDLO CNC(=O)[C@@H](NC(=O)C[N@H+](CCC#N)CC(C)C)c1ccccc1 ZINC000739914891 579267299 /nfs/dbraw/zinc/26/72/99/579267299.db2.gz RJEYTPKDCABBMH-KRWDZBQOSA-N 1 2 330.432 1.462 20 30 EDEDLO CNC(=O)[C@@H](NC(=O)C[N@@H+](CCC#N)CC(C)C)c1ccccc1 ZINC000739914891 579267300 /nfs/dbraw/zinc/26/73/00/579267300.db2.gz RJEYTPKDCABBMH-KRWDZBQOSA-N 1 2 330.432 1.462 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000744419285 579509987 /nfs/dbraw/zinc/50/99/87/579509987.db2.gz WUCOSPDIRQOBBT-UHFFFAOYSA-N 1 2 326.356 1.327 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1CC#N ZINC000777375521 580440299 /nfs/dbraw/zinc/44/02/99/580440299.db2.gz VZNZNNQYXOYRCU-UHFFFAOYSA-N 1 2 340.427 1.370 20 30 EDEDLO COc1ccc(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1C#N ZINC000746731113 579608440 /nfs/dbraw/zinc/60/84/40/579608440.db2.gz NINNJZVDUZWGMD-ZIAGYGMSSA-N 1 2 346.431 1.475 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)CN(C)c3ccccc32)CC1 ZINC000748825990 579702776 /nfs/dbraw/zinc/70/27/76/579702776.db2.gz YOHDTXHJHQQOAN-QGZVFWFLSA-N 1 2 340.471 1.356 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)c1cc(C#N)c[nH]1 ZINC000752267057 579843698 /nfs/dbraw/zinc/84/36/98/579843698.db2.gz VSHCAPNOBVYUDP-INIZCTEOSA-N 1 2 348.366 1.156 20 30 EDEDLO N#C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCN1C1CC1 ZINC000753128126 579873193 /nfs/dbraw/zinc/87/31/93/579873193.db2.gz RJHFKTHNEFLZMZ-GDBMZVCRSA-N 1 2 340.431 1.042 20 30 EDEDLO C#CC(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000753967648 579892537 /nfs/dbraw/zinc/89/25/37/579892537.db2.gz GLOUNOJEVQLXGB-UHFFFAOYSA-N 1 2 338.411 1.755 20 30 EDEDLO C[NH+]1CCN(c2ncc(CN=Nc3cncc(Cl)n3)cn2)CC1 ZINC000755640991 579931597 /nfs/dbraw/zinc/93/15/97/579931597.db2.gz UNERUBVGKOWENA-UHFFFAOYSA-N 1 2 332.799 1.118 20 30 EDEDLO Cc1[nH+]c[nH]c1CN=Nc1ncnc2c1c(Br)nn2C ZINC000755682761 579932473 /nfs/dbraw/zinc/93/24/73/579932473.db2.gz KKFVDGOMSFLWKM-UHFFFAOYSA-N 1 2 335.169 1.603 20 30 EDEDLO Cc1nn(C)c2ncc(C=NNc3ccc(-n4cc[nH+]c4)nn3)cc12 ZINC000761835054 580062430 /nfs/dbraw/zinc/06/24/30/580062430.db2.gz LVQHVSCBSUKSTJ-UHFFFAOYSA-N 1 2 333.359 1.698 20 30 EDEDLO O=C1C(=NNc2ccc(-n3cc[nH+]c3)nn2)CCN1Cc1ccccc1 ZINC000761837996 580062492 /nfs/dbraw/zinc/06/24/92/580062492.db2.gz UKRNDFKAJHIWMM-UHFFFAOYSA-N 1 2 347.382 1.863 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCC[NH+]1Cc2ccccc2C1 ZINC000762057516 580066112 /nfs/dbraw/zinc/06/61/12/580066112.db2.gz SXUCYHXHSUVQKK-UHFFFAOYSA-N 1 2 334.375 1.899 20 30 EDEDLO CCCCNC(=O)CN1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000763397890 580099476 /nfs/dbraw/zinc/09/94/76/580099476.db2.gz FAHACCKYMUQKJE-GOSISDBHSA-N 1 2 344.459 1.126 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000764076189 580112789 /nfs/dbraw/zinc/11/27/89/580112789.db2.gz IUGONBUXKITOBW-SQNIBIBYSA-N 1 2 347.409 1.924 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000764076189 580112790 /nfs/dbraw/zinc/11/27/90/580112790.db2.gz IUGONBUXKITOBW-SQNIBIBYSA-N 1 2 347.409 1.924 20 30 EDEDLO C=CC[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccncc1 ZINC000765498038 580144080 /nfs/dbraw/zinc/14/40/80/580144080.db2.gz HCUUKLWJQLJILR-MRXNPFEDSA-N 1 2 330.432 1.863 20 30 EDEDLO C#CCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000765522166 580144809 /nfs/dbraw/zinc/14/48/09/580144809.db2.gz YWVUNGBMJYKJHC-HUUCEWRRSA-N 1 2 337.876 1.809 20 30 EDEDLO C#CCNC(=S)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000765522166 580144810 /nfs/dbraw/zinc/14/48/10/580144810.db2.gz YWVUNGBMJYKJHC-HUUCEWRRSA-N 1 2 337.876 1.809 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc3nsnc32)CC1 ZINC000766002680 580156508 /nfs/dbraw/zinc/15/65/08/580156508.db2.gz QNIKMPRQHNIHHH-UHFFFAOYSA-N 1 2 331.445 1.111 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000766002680 580156509 /nfs/dbraw/zinc/15/65/09/580156509.db2.gz QNIKMPRQHNIHHH-UHFFFAOYSA-N 1 2 331.445 1.111 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=CC1Cc2ccccc2C1 ZINC000766427505 580166699 /nfs/dbraw/zinc/16/66/99/580166699.db2.gz BCSYMPQFMQUHLF-UHFFFAOYSA-N 1 2 332.473 1.184 20 30 EDEDLO N#Cc1c2c(cn(C[NH+]3CCC(N4CCCC4=O)CC3)c1=O)CCC2 ZINC000766619833 580170385 /nfs/dbraw/zinc/17/03/85/580170385.db2.gz NUIPPYOJQSIUEQ-UHFFFAOYSA-N 1 2 340.427 1.253 20 30 EDEDLO CCOCCO[C@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766633107 580170754 /nfs/dbraw/zinc/17/07/54/580170754.db2.gz OOLODUYTSFHRGL-HNNXBMFYSA-N 1 2 331.416 1.294 20 30 EDEDLO CCOCCO[C@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000766633107 580170755 /nfs/dbraw/zinc/17/07/55/580170755.db2.gz OOLODUYTSFHRGL-HNNXBMFYSA-N 1 2 331.416 1.294 20 30 EDEDLO C#CCC(C)(C)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000767645417 580195919 /nfs/dbraw/zinc/19/59/19/580195919.db2.gz XGKPCHZISROCHE-UHFFFAOYSA-N 1 2 348.468 1.985 20 30 EDEDLO N#C[C@@H](C(=O)C[N@H+]1CCC[C@H]1CCO)c1nc2ccccc2c(=O)[nH]1 ZINC000778273134 580460515 /nfs/dbraw/zinc/46/05/15/580460515.db2.gz WAWKTODNDPJTRP-JSGCOSHPSA-N 1 2 340.383 1.358 20 30 EDEDLO N#C[C@@H](C(=O)C[N@@H+]1CCC[C@H]1CCO)c1nc2ccccc2c(=O)[nH]1 ZINC000778273134 580460516 /nfs/dbraw/zinc/46/05/16/580460516.db2.gz WAWKTODNDPJTRP-JSGCOSHPSA-N 1 2 340.383 1.358 20 30 EDEDLO C=C(Cl)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000770272846 580257061 /nfs/dbraw/zinc/25/70/61/580257061.db2.gz KIXSFGATZUQBMP-UHFFFAOYSA-N 1 2 338.795 1.034 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772051461 580301917 /nfs/dbraw/zinc/30/19/17/580301917.db2.gz TYTNISYPSKNVPL-KGLIPLIRSA-N 1 2 326.462 1.556 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772051461 580301918 /nfs/dbraw/zinc/30/19/18/580301918.db2.gz TYTNISYPSKNVPL-KGLIPLIRSA-N 1 2 326.462 1.556 20 30 EDEDLO C#C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCO1 ZINC000772872782 580322233 /nfs/dbraw/zinc/32/22/33/580322233.db2.gz OYWBTGIODVUMJB-QZTJIDSGSA-N 1 2 328.412 1.429 20 30 EDEDLO C#C[C@H]([NH2+]CC(=O)Nc1nnc(-c2sccc2C)o1)[C@@H]1CCCO1 ZINC000775789004 580400485 /nfs/dbraw/zinc/40/04/85/580400485.db2.gz AEBJSVXLXXGOSE-RYUDHWBXSA-N 1 2 346.412 1.815 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)[C@@H](C#N)C1 ZINC000779418886 580485196 /nfs/dbraw/zinc/48/51/96/580485196.db2.gz TWEXCHKILUCFFW-KWBADKCTSA-N 1 2 337.342 1.648 20 30 EDEDLO COc1ccc(C(C)=NNC2=[NH+]C[C@@H](C)N2)cc1Cn1cccn1 ZINC000779797852 580497597 /nfs/dbraw/zinc/49/75/97/580497597.db2.gz KCEPYHGXFCGDHG-GFCCVEGCSA-N 1 2 326.404 1.601 20 30 EDEDLO C[C@H]1C[NH+]=C(NN=C2C(=O)Nc3c2cc(F)cc3Br)N1 ZINC000779798759 580497644 /nfs/dbraw/zinc/49/76/44/580497644.db2.gz GIAGMTYWIBSBRC-YFKPBYRVSA-N 1 2 340.156 1.182 20 30 EDEDLO C=CCN(C(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21)C(C)C ZINC000785495398 580645754 /nfs/dbraw/zinc/64/57/54/580645754.db2.gz FQMGAFPHYFMHAA-UHFFFAOYSA-N 1 2 328.416 1.884 20 30 EDEDLO N#Cc1ccnc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000788319647 580717227 /nfs/dbraw/zinc/71/72/27/580717227.db2.gz VEPLNOWFEKCMDX-CYBMUJFWSA-N 1 2 328.332 1.535 20 30 EDEDLO C=CC[C@H](NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccncc1 ZINC000789752618 580752709 /nfs/dbraw/zinc/75/27/09/580752709.db2.gz JRMBHRUYAWZINS-ZFWWWQNUSA-N 1 2 327.388 1.216 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)c2ccnc(-n3cc[nH+]c3)c2)n1 ZINC000790118049 580762447 /nfs/dbraw/zinc/76/24/47/580762447.db2.gz NXRGGDVPYTZCKT-UHFFFAOYSA-N 1 2 334.383 1.759 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[NH+](CCN2CC[C@](F)(C#N)C2)CC1 ZINC000794565234 580898012 /nfs/dbraw/zinc/89/80/12/580898012.db2.gz AVAKYUKQCXEKQU-INIZCTEOSA-N 1 2 326.416 1.477 20 30 EDEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1=S ZINC000794638952 580901257 /nfs/dbraw/zinc/90/12/57/580901257.db2.gz IMUPVJYEKHVZFU-AWEZNQCLSA-N 1 2 328.445 1.934 20 30 EDEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1=S ZINC000794638952 580901258 /nfs/dbraw/zinc/90/12/58/580901258.db2.gz IMUPVJYEKHVZFU-AWEZNQCLSA-N 1 2 328.445 1.934 20 30 EDEDLO CC(N=Nc1ccc(-n2cc[nH+]c2)nn1)c1ccc2c(c1)OCC(=O)N2 ZINC000794939759 580908601 /nfs/dbraw/zinc/90/86/01/580908601.db2.gz MUBNVLCEYCUUQZ-UHFFFAOYSA-N 1 2 349.354 1.829 20 30 EDEDLO N#Cc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccco3)CC2)o1 ZINC000796154496 580946859 /nfs/dbraw/zinc/94/68/59/580946859.db2.gz QXEAUJAHLLFZCO-UHFFFAOYSA-N 1 2 343.339 1.245 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@@H](c3ccc(C)cc3)CC2=O)C1=O ZINC000799144487 581018822 /nfs/dbraw/zinc/01/88/22/581018822.db2.gz ZLKDBQKXYOTDOK-ROUUACIJSA-N 1 2 341.455 1.987 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@@H](c3ccc(C)cc3)CC2=O)C1=O ZINC000799144487 581018823 /nfs/dbraw/zinc/01/88/23/581018823.db2.gz ZLKDBQKXYOTDOK-ROUUACIJSA-N 1 2 341.455 1.987 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C[C@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799294919 581024195 /nfs/dbraw/zinc/02/41/95/581024195.db2.gz RFVWYTJDWLGREK-IBGZPJMESA-N 1 2 340.402 1.944 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](C[C@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799294919 581024196 /nfs/dbraw/zinc/02/41/96/581024196.db2.gz RFVWYTJDWLGREK-IBGZPJMESA-N 1 2 340.402 1.944 20 30 EDEDLO CC(CS(=O)(=O)c1ccccc1)=NNCCC[NH+]1CCOCC1 ZINC000799488403 581029208 /nfs/dbraw/zinc/02/92/08/581029208.db2.gz QUSUNSACZDVUPX-UHFFFAOYSA-N 1 2 339.461 1.148 20 30 EDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000799977471 581040307 /nfs/dbraw/zinc/04/03/07/581040307.db2.gz WUYSQAUHMYUMIY-CQSZACIVSA-N 1 2 346.383 1.793 20 30 EDEDLO COc1ccc(C(=O)N2CC[NH+](CCO[C@H](C)C#N)CC2)cc1OC ZINC000801910394 581087755 /nfs/dbraw/zinc/08/77/55/581087755.db2.gz KDUXVCGDUKVOCV-CQSZACIVSA-N 1 2 347.415 1.390 20 30 EDEDLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801922850 581088130 /nfs/dbraw/zinc/08/81/30/581088130.db2.gz QJVIAGPABXFGLH-IAGOWNOFSA-N 1 2 345.443 1.835 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@H](C)Oc2ccccc2C#N)C[N@@H+]1C ZINC000893568200 590967600 /nfs/dbraw/zinc/96/76/00/590967600.db2.gz UKMIDQOMTCKZIM-WRSAYESZSA-N 1 2 346.383 1.505 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@H](C)Oc2ccccc2C#N)C[N@H+]1C ZINC000893568200 590967602 /nfs/dbraw/zinc/96/76/02/590967602.db2.gz UKMIDQOMTCKZIM-WRSAYESZSA-N 1 2 346.383 1.505 20 30 EDEDLO COC(=O)[C@H]1[C@H](C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C1(F)F ZINC000893920141 591138434 /nfs/dbraw/zinc/13/84/34/591138434.db2.gz XGIBOFMAVMGNAG-GXTWGEPZSA-N 1 2 336.342 1.130 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000891605451 591146886 /nfs/dbraw/zinc/14/68/86/591146886.db2.gz DTEGCRQVFCVCBQ-CYBMUJFWSA-N 1 2 333.819 1.801 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000891605451 591146888 /nfs/dbraw/zinc/14/68/88/591146888.db2.gz DTEGCRQVFCVCBQ-CYBMUJFWSA-N 1 2 333.819 1.801 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c1 ZINC000891610733 591148287 /nfs/dbraw/zinc/14/82/87/591148287.db2.gz RYVUYAHQGWKGDF-UHFFFAOYSA-N 1 2 341.459 1.786 20 30 EDEDLO C=CCNC(=O)CN1CCN(c2cc(C3CC3)[nH+]c(C3CC3)n2)CC1 ZINC000891617390 591151325 /nfs/dbraw/zinc/15/13/25/591151325.db2.gz UEUZKRAVPFMXQJ-UHFFFAOYSA-N 1 2 341.459 1.656 20 30 EDEDLO O=C(NCC#C[C@@H]1CCCCO1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000891704626 591192825 /nfs/dbraw/zinc/19/28/25/591192825.db2.gz GLDKDTUVMYCUJO-INIZCTEOSA-N 1 2 339.399 1.639 20 30 EDEDLO C#C[C@H](NC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000894277900 591262451 /nfs/dbraw/zinc/26/24/51/591262451.db2.gz ARDLDTYEZRNFCI-IKGGRYGDSA-N 1 2 340.427 1.756 20 30 EDEDLO C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896545258 591507143 /nfs/dbraw/zinc/50/71/43/591507143.db2.gz LHWZXIQWNWBVFT-RHSMWYFYSA-N 1 2 326.444 1.340 20 30 EDEDLO C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC000896545258 591507146 /nfs/dbraw/zinc/50/71/46/591507146.db2.gz LHWZXIQWNWBVFT-RHSMWYFYSA-N 1 2 326.444 1.340 20 30 EDEDLO N#Cc1csc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000897274879 591803648 /nfs/dbraw/zinc/80/36/48/591803648.db2.gz YFWNICJDUFTSSE-ZDUSSCGKSA-N 1 2 335.433 1.021 20 30 EDEDLO COCC[C@H]1CCN(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000902280234 591961099 /nfs/dbraw/zinc/96/10/99/591961099.db2.gz YWBUZOPJWZNVND-HZPDHXFCSA-N 1 2 344.415 1.249 20 30 EDEDLO COCC[C@H]1CCN(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000902280234 591961101 /nfs/dbraw/zinc/96/11/01/591961101.db2.gz YWBUZOPJWZNVND-HZPDHXFCSA-N 1 2 344.415 1.249 20 30 EDEDLO NC(=[NH+]OCC[C@H]1CCNC1=O)c1ccc(Br)cc1 ZINC000902326181 591979524 /nfs/dbraw/zinc/97/95/24/591979524.db2.gz PBODUKHURVIHOC-SNVBAGLBSA-N 1 2 326.194 1.612 20 30 EDEDLO C/C(=C\C(=O)N(CCC#N)Cc1cccnc1)C[NH+]1CCOCC1 ZINC000900402719 592008567 /nfs/dbraw/zinc/00/85/67/592008567.db2.gz QRIAFFTZQUILQO-FOWTUZBSSA-N 1 2 328.416 1.602 20 30 EDEDLO N#CCC(=O)N1CCN(C(=O)c2c[nH+]ccc2Nc2ccccc2)CC1 ZINC000901076849 592225562 /nfs/dbraw/zinc/22/55/62/592225562.db2.gz UPSALHMLOIJYJE-UHFFFAOYSA-N 1 2 349.394 1.445 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cn1 ZINC000907403362 592629315 /nfs/dbraw/zinc/62/93/15/592629315.db2.gz PPCVTWDGBBQBKW-CYBMUJFWSA-N 1 2 331.401 1.603 20 30 EDEDLO CN1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000907564580 592711384 /nfs/dbraw/zinc/71/13/84/592711384.db2.gz PHGJYEKKYOUZRS-ZUBZBLCWSA-N 1 2 327.432 1.945 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000907835663 592810098 /nfs/dbraw/zinc/81/00/98/592810098.db2.gz KABPIKXIKOMBLV-MRXNPFEDSA-N 1 2 329.444 1.897 20 30 EDEDLO C#CCOc1cccc(NC(=O)c2coc(C[N@H+]3CC[C@H](O)C3)n2)c1 ZINC000906618578 592859419 /nfs/dbraw/zinc/85/94/19/592859419.db2.gz XVLXRJSXBNDJLS-AWEZNQCLSA-N 1 2 341.367 1.506 20 30 EDEDLO C#CCOc1cccc(NC(=O)c2coc(C[N@@H+]3CC[C@H](O)C3)n2)c1 ZINC000906618578 592859421 /nfs/dbraw/zinc/85/94/21/592859421.db2.gz XVLXRJSXBNDJLS-AWEZNQCLSA-N 1 2 341.367 1.506 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)C(F)(F)c1ccccc1C#N ZINC000910451663 592866122 /nfs/dbraw/zinc/86/61/22/592866122.db2.gz UECBHJYXCAJPGH-UHFFFAOYSA-N 1 2 337.370 1.877 20 30 EDEDLO C#C[C@@H](NC(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1)c1ccccc1 ZINC000911501483 592932635 /nfs/dbraw/zinc/93/26/35/592932635.db2.gz SWOKQZSWAJCESO-LSDHHAIUSA-N 1 2 325.368 1.346 20 30 EDEDLO C#C[C@@H](NC(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1)c1ccccc1 ZINC000911501483 592932637 /nfs/dbraw/zinc/93/26/37/592932637.db2.gz SWOKQZSWAJCESO-LSDHHAIUSA-N 1 2 325.368 1.346 20 30 EDEDLO COC(=O)N1CCN(c2ccc(Nc3ccnc(C#N)c3)c[nH+]2)CC1 ZINC000912171988 593067700 /nfs/dbraw/zinc/06/77/00/593067700.db2.gz QWSXICBOZSVOFM-UHFFFAOYSA-N 1 2 338.371 1.402 20 30 EDEDLO C#CCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000806913558 593126934 /nfs/dbraw/zinc/12/69/34/593126934.db2.gz ZKHNYFWJSDGRCU-HOTGVXAUSA-N 1 2 349.381 1.356 20 30 EDEDLO C#CCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000806913558 593126935 /nfs/dbraw/zinc/12/69/35/593126935.db2.gz ZKHNYFWJSDGRCU-HOTGVXAUSA-N 1 2 349.381 1.356 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1N(Cn2cc3c(c(C#N)c2=O)CCC3)CC1(C)C ZINC000840111671 593192468 /nfs/dbraw/zinc/19/24/68/593192468.db2.gz YFFQVLKXECLUEJ-INIZCTEOSA-N 1 2 337.427 1.983 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCOC)CC1 ZINC000802487893 593256898 /nfs/dbraw/zinc/25/68/98/593256898.db2.gz AUJPGZDFODLMHZ-UHFFFAOYSA-N 1 2 329.404 1.248 20 30 EDEDLO Cc1nsc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C#N ZINC000839102147 593261621 /nfs/dbraw/zinc/26/16/21/593261621.db2.gz MFICAHSPAYZRDA-UHFFFAOYSA-N 1 2 348.432 1.403 20 30 EDEDLO C=CCN1CCN(CN2CC[NH+](Cc3c(C)noc3C)CC2)C1=O ZINC000839975164 593270420 /nfs/dbraw/zinc/27/04/20/593270420.db2.gz GSFJQAPVOGQISF-UHFFFAOYSA-N 1 2 333.436 1.290 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000804970337 593322459 /nfs/dbraw/zinc/32/24/59/593322459.db2.gz SMASIKJJDSXWPH-UHFFFAOYSA-N 1 2 328.353 1.815 20 30 EDEDLO C#CCCCS(=O)(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000804985619 593323303 /nfs/dbraw/zinc/32/33/03/593323303.db2.gz WTSHSLPBOIOVIH-UHFFFAOYSA-N 1 2 336.457 1.556 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)[C@H]1CCCO1 ZINC000839563386 593345413 /nfs/dbraw/zinc/34/54/13/593345413.db2.gz IIBFUDVATMRJBU-UKRRQHHQSA-N 1 2 341.367 1.392 20 30 EDEDLO CON=CC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000809602719 593349579 /nfs/dbraw/zinc/34/95/79/593349579.db2.gz XQHXABHNIKZGQC-UHFFFAOYSA-N 1 2 345.321 1.862 20 30 EDEDLO Cc1ccn(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c(=O)c1C#N ZINC000758187387 593395857 /nfs/dbraw/zinc/39/58/57/593395857.db2.gz UOOPRWLMSHZTBO-UHFFFAOYSA-N 1 2 330.432 1.470 20 30 EDEDLO N#C[C@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CCN1C1CC1 ZINC000810391272 593398074 /nfs/dbraw/zinc/39/80/74/593398074.db2.gz AIHKUOQSRMVTCY-IBGZPJMESA-N 1 2 349.438 1.673 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000805470771 593455992 /nfs/dbraw/zinc/45/59/92/593455992.db2.gz WYJMICFAUUYMHW-HUUCEWRRSA-N 1 2 332.356 1.036 20 30 EDEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000805470771 593455994 /nfs/dbraw/zinc/45/59/94/593455994.db2.gz WYJMICFAUUYMHW-HUUCEWRRSA-N 1 2 332.356 1.036 20 30 EDEDLO O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000816694800 593541519 /nfs/dbraw/zinc/54/15/19/593541519.db2.gz OAKDZHPVUVCGGS-CABCVRRESA-N 1 2 335.379 1.287 20 30 EDEDLO O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000816694800 593541520 /nfs/dbraw/zinc/54/15/20/593541520.db2.gz OAKDZHPVUVCGGS-CABCVRRESA-N 1 2 335.379 1.287 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+](CCOCCOC)CC1)c1ccccc1 ZINC000820584242 593837832 /nfs/dbraw/zinc/83/78/32/593837832.db2.gz OICJWCXUYVDPCO-GOSISDBHSA-N 1 2 345.443 1.351 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000820599759 593841627 /nfs/dbraw/zinc/84/16/27/593841627.db2.gz OOJBQTJTTRYZOV-QZTJIDSGSA-N 1 2 327.428 1.867 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000821836594 593951203 /nfs/dbraw/zinc/95/12/03/593951203.db2.gz ARNJBZFWJFXBOW-SNVBAGLBSA-N 1 2 339.339 1.094 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000829975414 594304892 /nfs/dbraw/zinc/30/48/92/594304892.db2.gz RBYGCCHCTYDSPE-KGLIPLIRSA-N 1 2 325.206 1.833 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000829975414 594304895 /nfs/dbraw/zinc/30/48/95/594304895.db2.gz RBYGCCHCTYDSPE-KGLIPLIRSA-N 1 2 325.206 1.833 20 30 EDEDLO C#CC1CC[NH+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000830343306 594379460 /nfs/dbraw/zinc/37/94/60/594379460.db2.gz RWDWXQVSRDFBDP-OAHLLOKOSA-N 1 2 334.379 1.857 20 30 EDEDLO C[C@@H](ON=C(N)C[NH+]1CCSCC1)C(=O)Nc1cccc(F)c1 ZINC000121489220 594835344 /nfs/dbraw/zinc/83/53/44/594835344.db2.gz OMUCSZLPMOPCCR-LLVKDONJSA-N 1 2 340.424 1.490 20 30 EDEDLO CC(C)[C@H](C(=O)OCc1ncc(C#N)cn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000842080436 595014676 /nfs/dbraw/zinc/01/46/76/595014676.db2.gz OJJSXVXJZFQUIU-XJKCOSOUSA-N 1 2 332.404 1.525 20 30 EDEDLO C[C@H](O[NH+]=C(N)COC[C@@H]1CCCO1)C(=O)Nc1cccc(C#N)c1 ZINC000842657087 595160935 /nfs/dbraw/zinc/16/09/35/595160935.db2.gz VYIUBJILRJSFPU-WFASDCNBSA-N 1 2 346.387 1.579 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCCc2ccc3c(c2)CC(=O)N3)CC1 ZINC000105322226 595187619 /nfs/dbraw/zinc/18/76/19/595187619.db2.gz LZWYFYOGJHLIDQ-UHFFFAOYSA-N 1 2 325.412 1.281 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000834677276 595188461 /nfs/dbraw/zinc/18/84/61/595188461.db2.gz HIJAYKSXFPXSSR-OAHLLOKOSA-N 1 2 343.427 1.585 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000834777741 595209343 /nfs/dbraw/zinc/20/93/43/595209343.db2.gz HZOJFRAFGMWLCR-OAHLLOKOSA-N 1 2 330.432 1.417 20 30 EDEDLO C=CCc1cccc(F)c1OS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000867426090 595248313 /nfs/dbraw/zinc/24/83/13/595248313.db2.gz PFWNXOLUCDZSPE-ZDUSSCGKSA-N 1 2 329.393 1.593 20 30 EDEDLO C=CCc1cccc(F)c1OS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000867426090 595248316 /nfs/dbraw/zinc/24/83/16/595248316.db2.gz PFWNXOLUCDZSPE-ZDUSSCGKSA-N 1 2 329.393 1.593 20 30 EDEDLO COc1cccc(C2=NO[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C2)c1 ZINC000844527989 595355430 /nfs/dbraw/zinc/35/54/30/595355430.db2.gz SQCFGVXDJQPQMH-DOTOQJQBSA-N 1 2 330.388 1.148 20 30 EDEDLO COc1cc[nH+]cc1CNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000845218853 595463445 /nfs/dbraw/zinc/46/34/45/595463445.db2.gz ZBXDINRXDRIKKN-INIZCTEOSA-N 1 2 340.383 1.837 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860076508 595566961 /nfs/dbraw/zinc/56/69/61/595566961.db2.gz GEBGGSMLSMAQPA-AWEZNQCLSA-N 1 2 344.463 1.646 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(O[C@@H]3CC3(F)F)cc2)CC1 ZINC000853067074 595652740 /nfs/dbraw/zinc/65/27/40/595652740.db2.gz NWPYVRAMLSIWMD-MRXNPFEDSA-N 1 2 349.381 1.662 20 30 EDEDLO C[C@@H]1CCc2nc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cn2C1 ZINC000857923483 595653878 /nfs/dbraw/zinc/65/38/78/595653878.db2.gz ZVTMAARNJRSTRF-OAHLLOKOSA-N 1 2 345.447 1.153 20 30 EDEDLO CC(C)(C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)[NH+]1CCOCC1 ZINC000855303284 595667272 /nfs/dbraw/zinc/66/72/72/595667272.db2.gz ZGBCEXYPZNVDOZ-IBGZPJMESA-N 1 2 342.443 1.576 20 30 EDEDLO C#CCC[C@@H](O)CNc1nc(NC[C@@H](O)CCC#C)c(F)c(C)[nH+]1 ZINC000853568845 595807991 /nfs/dbraw/zinc/80/79/91/595807991.db2.gz AKEUNMSLAMXYPH-UONOGXRCSA-N 1 2 334.395 1.297 20 30 EDEDLO C=C(C)CC[C@H](C)OC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000860854866 595818699 /nfs/dbraw/zinc/81/86/99/595818699.db2.gz KYWFFFFVWFBSFF-BPUTZDHNSA-N 1 2 349.431 1.997 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C1CCOCC1 ZINC000853592507 595820806 /nfs/dbraw/zinc/82/08/06/595820806.db2.gz UUIAJVGRZRDZDD-INIZCTEOSA-N 1 2 339.399 1.495 20 30 EDEDLO C#CCOc1ccc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000856071897 595887526 /nfs/dbraw/zinc/88/75/26/595887526.db2.gz AYOCUGNLALWBDO-UHFFFAOYSA-N 1 2 342.439 1.883 20 30 EDEDLO C#CCOCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1 ZINC000851778656 595920151 /nfs/dbraw/zinc/92/01/51/595920151.db2.gz HQEGCORLXDNSLW-KRWDZBQOSA-N 1 2 344.455 1.810 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)C1CCOCC1 ZINC000851948028 595981301 /nfs/dbraw/zinc/98/13/01/595981301.db2.gz OVFMGVAAVKKEKN-KRWDZBQOSA-N 1 2 342.443 1.909 20 30 EDEDLO N#CCOc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000852049573 596023622 /nfs/dbraw/zinc/02/36/22/596023622.db2.gz CFIGGYNEPXAZKJ-MRXNPFEDSA-N 1 2 344.415 1.205 20 30 EDEDLO N#Cc1ccc(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)s1 ZINC000856611226 596034633 /nfs/dbraw/zinc/03/46/33/596034633.db2.gz MPSFUMNASBTSOR-QWHCGFSZSA-N 1 2 340.408 1.610 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856615335 596036052 /nfs/dbraw/zinc/03/60/52/596036052.db2.gz JGZNCZXYEAKPDL-LSDHHAIUSA-N 1 2 337.383 1.185 20 30 EDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000852163297 596066132 /nfs/dbraw/zinc/06/61/32/596066132.db2.gz YIQRCAGYUOFLOG-CABCVRRESA-N 1 2 336.432 1.489 20 30 EDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000852163297 596066134 /nfs/dbraw/zinc/06/61/34/596066134.db2.gz YIQRCAGYUOFLOG-CABCVRRESA-N 1 2 336.432 1.489 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](N4CCOC4=O)C3)C2=O)cc1 ZINC000852436292 596161389 /nfs/dbraw/zinc/16/13/89/596161389.db2.gz XLPMGTWJDVKMAX-CVEARBPZSA-N 1 2 340.383 1.190 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](N4CCOC4=O)C3)C2=O)cc1 ZINC000852436292 596161390 /nfs/dbraw/zinc/16/13/90/596161390.db2.gz XLPMGTWJDVKMAX-CVEARBPZSA-N 1 2 340.383 1.190 20 30 EDEDLO C#CCOc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000854729409 596178319 /nfs/dbraw/zinc/17/83/19/596178319.db2.gz VXZASJJFYSUFFJ-KRWDZBQOSA-N 1 2 328.412 1.635 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CC(O)(c2ccc(Br)cc2)C1 ZINC000852726537 596233964 /nfs/dbraw/zinc/23/39/64/596233964.db2.gz RQCCQPKBXAHZNW-NSHDSACASA-N 1 2 325.206 1.881 20 30 EDEDLO CC[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCNC1=O ZINC000864537630 596256354 /nfs/dbraw/zinc/25/63/54/596256354.db2.gz LDGDMASAIDLYFR-LJQANCHMSA-N 1 2 340.427 1.119 20 30 EDEDLO NC(=NOCc1ccccn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000120324638 596440330 /nfs/dbraw/zinc/44/03/30/596440330.db2.gz QQAIYDGNYSYARE-KRWDZBQOSA-N 1 2 326.400 1.771 20 30 EDEDLO NC(=NOCc1ccccn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000120324638 596440334 /nfs/dbraw/zinc/44/03/34/596440334.db2.gz QQAIYDGNYSYARE-KRWDZBQOSA-N 1 2 326.400 1.771 20 30 EDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1 ZINC000871182821 596491954 /nfs/dbraw/zinc/49/19/54/596491954.db2.gz KATNLQKLWGSCOS-INIZCTEOSA-N 1 2 325.372 1.072 20 30 EDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1 ZINC000871182821 596491957 /nfs/dbraw/zinc/49/19/57/596491957.db2.gz KATNLQKLWGSCOS-INIZCTEOSA-N 1 2 325.372 1.072 20 30 EDEDLO C[C@@H]1C[N@H+](Cn2cccc(C#N)c2=O)CC[C@H]1C(=O)OC(C)(C)C ZINC000863302079 596544757 /nfs/dbraw/zinc/54/47/57/596544757.db2.gz IORZMAUONJDTFX-UKRRQHHQSA-N 1 2 331.416 1.977 20 30 EDEDLO C[C@@H]1C[N@@H+](Cn2cccc(C#N)c2=O)CC[C@H]1C(=O)OC(C)(C)C ZINC000863302079 596544759 /nfs/dbraw/zinc/54/47/59/596544759.db2.gz IORZMAUONJDTFX-UKRRQHHQSA-N 1 2 331.416 1.977 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H](C#N)C1 ZINC000121868176 596578812 /nfs/dbraw/zinc/57/88/12/596578812.db2.gz HAFFJIHJIBWCRD-AWEZNQCLSA-N 1 2 347.419 1.635 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(CC#N)ccn1 ZINC000871732287 596680858 /nfs/dbraw/zinc/68/08/58/596680858.db2.gz XZCPPAXVVVUJEA-DZGCQCFKSA-N 1 2 329.404 1.475 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000868281767 596762391 /nfs/dbraw/zinc/76/23/91/596762391.db2.gz OIBUMFHZROYYNM-UHFFFAOYSA-N 1 2 342.378 1.463 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000866150402 596805594 /nfs/dbraw/zinc/80/55/94/596805594.db2.gz LPGWYRQJJPQMJE-SFHVURJKSA-N 1 2 343.383 1.772 20 30 EDEDLO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cccc(C#N)c1O ZINC000866396013 596875141 /nfs/dbraw/zinc/87/51/41/596875141.db2.gz KLEVUUKTWVLPDS-KUHUBIRLSA-N 1 2 345.443 1.530 20 30 EDEDLO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C#N)c1 ZINC000872471434 596924304 /nfs/dbraw/zinc/92/43/04/596924304.db2.gz MXSRXBKHFMTLGV-HZPDHXFCSA-N 1 2 349.456 1.086 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c(C)[nH+]1 ZINC000874215509 596971241 /nfs/dbraw/zinc/97/12/41/596971241.db2.gz YHLINOKFOPCIDW-INIZCTEOSA-N 1 2 334.379 1.792 20 30 EDEDLO C[C@]1(c2ccccc2)CC(=O)N(C[NH+]2CCN(CCC#N)CC2)C1 ZINC000872733975 597051150 /nfs/dbraw/zinc/05/11/50/597051150.db2.gz TUDICIGDXGOIKV-IBGZPJMESA-N 1 2 326.444 1.665 20 30 EDEDLO C#CCN(CC)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000876194544 597128828 /nfs/dbraw/zinc/12/88/28/597128828.db2.gz ZQRGAXVIEVJFBF-SFHVURJKSA-N 1 2 329.444 1.861 20 30 EDEDLO C#CCN(CC)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000876194544 597128830 /nfs/dbraw/zinc/12/88/30/597128830.db2.gz ZQRGAXVIEVJFBF-SFHVURJKSA-N 1 2 329.444 1.861 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000876281208 597160524 /nfs/dbraw/zinc/16/05/24/597160524.db2.gz GXWTVDXALIPMIA-KBXCAEBGSA-N 1 2 342.443 1.388 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)CC1 ZINC000876441605 597206848 /nfs/dbraw/zinc/20/68/48/597206848.db2.gz ZIORYRRRGUAKFA-RBSFLKMASA-N 1 2 332.448 1.971 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000875020172 597246747 /nfs/dbraw/zinc/24/67/47/597246747.db2.gz NMIIZYRCZMYRPA-UHFFFAOYSA-N 1 2 341.415 1.602 20 30 EDEDLO C#CCOc1ccccc1C[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000126319727 597420463 /nfs/dbraw/zinc/42/04/63/597420463.db2.gz FNIUQUOBWWGHFV-MRXNPFEDSA-N 1 2 341.455 1.483 20 30 EDEDLO C#CCOc1ccccc1CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000126319727 597420466 /nfs/dbraw/zinc/42/04/66/597420466.db2.gz FNIUQUOBWWGHFV-MRXNPFEDSA-N 1 2 341.455 1.483 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000878111931 597579358 /nfs/dbraw/zinc/57/93/58/597579358.db2.gz KSIDVDFEWIGTRP-DLBZAZTESA-N 1 2 349.456 1.051 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1)c1ccccc1 ZINC000878111931 597579359 /nfs/dbraw/zinc/57/93/59/597579359.db2.gz KSIDVDFEWIGTRP-DLBZAZTESA-N 1 2 349.456 1.051 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCN2C(=O)CC[C@H]2C1)c1ccccc1 ZINC000878331862 597596155 /nfs/dbraw/zinc/59/61/55/597596155.db2.gz ZYVCGQWKLSWZND-HKUYNNGSSA-N 1 2 325.412 1.734 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCN2C(=O)CC[C@H]2C1)c1ccccc1 ZINC000878331862 597596156 /nfs/dbraw/zinc/59/61/56/597596156.db2.gz ZYVCGQWKLSWZND-HKUYNNGSSA-N 1 2 325.412 1.734 20 30 EDEDLO C=CC[C@H](C(=O)OC)[NH+]1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 ZINC000878519880 597621460 /nfs/dbraw/zinc/62/14/60/597621460.db2.gz WVXLMEXCXGWJRE-GFCCVEGCSA-N 1 2 336.392 1.279 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585333 597645317 /nfs/dbraw/zinc/64/53/17/597645317.db2.gz WAHJKYNTPQTINE-HNNXBMFYSA-N 1 2 325.416 1.441 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000878663663 597672047 /nfs/dbraw/zinc/67/20/47/597672047.db2.gz NIVLMLMDUAXDOG-AWEZNQCLSA-N 1 2 328.372 1.468 20 30 EDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878784539 597710408 /nfs/dbraw/zinc/71/04/08/597710408.db2.gz XVGVFFFEPHTVAJ-GDBMZVCRSA-N 1 2 347.415 1.402 20 30 EDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](Oc2ccnc(C(=O)NC)c2)C1 ZINC000878784539 597710409 /nfs/dbraw/zinc/71/04/09/597710409.db2.gz XVGVFFFEPHTVAJ-GDBMZVCRSA-N 1 2 347.415 1.402 20 30 EDEDLO C=CC[C@H](C(=O)OC)[N@H+]1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 ZINC000879267282 597870390 /nfs/dbraw/zinc/87/03/90/597870390.db2.gz YFTYKPZNJWZSGF-BZUAXINKSA-N 1 2 331.416 1.609 20 30 EDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 ZINC000879267282 597870393 /nfs/dbraw/zinc/87/03/93/597870393.db2.gz YFTYKPZNJWZSGF-BZUAXINKSA-N 1 2 331.416 1.609 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000884095162 597993336 /nfs/dbraw/zinc/99/33/36/597993336.db2.gz GUCKUYCXKNXCTE-HOTGVXAUSA-N 1 2 334.391 1.806 20 30 EDEDLO C#CCOCCC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000130064612 598050555 /nfs/dbraw/zinc/05/05/55/598050555.db2.gz HDCDWLMDSZFUMP-GOSISDBHSA-N 1 2 344.455 1.776 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cccc(C2CCOCC2)c1 ZINC000884436471 598104506 /nfs/dbraw/zinc/10/45/06/598104506.db2.gz GLFACNSBRMDGKX-INIZCTEOSA-N 1 2 332.400 1.966 20 30 EDEDLO O=C(Cc1c[nH]c[nH+]1)NC1CN(CC#Cc2cccc(Cl)c2)C1 ZINC001031016398 695179614 /nfs/dbraw/zinc/17/96/14/695179614.db2.gz IWGFHOMTDJSWCW-UHFFFAOYSA-N 1 2 328.803 1.458 20 30 EDEDLO C=CC(C)(C)CC(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060462370 695230168 /nfs/dbraw/zinc/23/01/68/695230168.db2.gz BFOJGZLZHCYAOD-AWEZNQCLSA-N 1 2 332.448 1.909 20 30 EDEDLO CC(C)(C)C#CC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060463452 695241154 /nfs/dbraw/zinc/24/11/54/695241154.db2.gz VZYHOCCPDUXHQH-CQSZACIVSA-N 1 2 330.432 1.357 20 30 EDEDLO C=CCCn1cc(C(=O)NC2C[NH+](CCc3scnc3C)C2)nn1 ZINC001031080165 695479397 /nfs/dbraw/zinc/47/93/97/695479397.db2.gz ZDOKFPOXWSQAPB-UHFFFAOYSA-N 1 2 346.460 1.276 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H](Cc3ccccc3)OC)C2)nc1 ZINC001031278630 696106727 /nfs/dbraw/zinc/10/67/27/696106727.db2.gz UEFCVZPPPJXYRC-IBGZPJMESA-N 1 2 349.434 1.735 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H]1C ZINC000993472268 696153772 /nfs/dbraw/zinc/15/37/72/696153772.db2.gz AFFOCPZRXQNAOI-STQMWFEESA-N 1 2 338.839 1.722 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@@H]1C ZINC000993472268 696153773 /nfs/dbraw/zinc/15/37/73/696153773.db2.gz AFFOCPZRXQNAOI-STQMWFEESA-N 1 2 338.839 1.722 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)[C@H]1C ZINC000993524380 696204077 /nfs/dbraw/zinc/20/40/77/696204077.db2.gz SUISSIIALJLWLE-PWSUYJOCSA-N 1 2 349.822 1.999 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)[C@H]1C ZINC000993524380 696204081 /nfs/dbraw/zinc/20/40/81/696204081.db2.gz SUISSIIALJLWLE-PWSUYJOCSA-N 1 2 349.822 1.999 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCCC2=O)[C@@H]1C ZINC000993531919 696208967 /nfs/dbraw/zinc/20/89/67/696208967.db2.gz OSJIBNWJLINRKF-UONOGXRCSA-N 1 2 327.856 1.721 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCC2=O)[C@@H]1C ZINC000993531919 696208969 /nfs/dbraw/zinc/20/89/69/696208969.db2.gz OSJIBNWJLINRKF-UONOGXRCSA-N 1 2 327.856 1.721 20 30 EDEDLO N#Cc1cnc(NC2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001060603053 696272064 /nfs/dbraw/zinc/27/20/64/696272064.db2.gz BGWFSWUWCDEKFS-UHFFFAOYSA-N 1 2 325.376 1.153 20 30 EDEDLO N#Cc1ccc(NC2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)nn1 ZINC001060603285 696276773 /nfs/dbraw/zinc/27/67/73/696276773.db2.gz JOZWPOLLIWFHAV-UHFFFAOYSA-N 1 2 325.376 1.153 20 30 EDEDLO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC000993817024 696389115 /nfs/dbraw/zinc/38/91/15/696389115.db2.gz BQRSJILDRQJBAO-WBVHZDCISA-N 1 2 344.459 1.876 20 30 EDEDLO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC000993817024 696389118 /nfs/dbraw/zinc/38/91/18/696389118.db2.gz BQRSJILDRQJBAO-WBVHZDCISA-N 1 2 344.459 1.876 20 30 EDEDLO C[C@H](C#N)C(=O)NCc1ccc([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001060622415 696421785 /nfs/dbraw/zinc/42/17/85/696421785.db2.gz PQOXZOSUGFLIOI-CHWSQXEVSA-N 1 2 339.399 1.605 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993998159 696486740 /nfs/dbraw/zinc/48/67/40/696486740.db2.gz VEKIFXGDKPMIGT-WBVHZDCISA-N 1 2 337.427 1.450 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993998159 696486741 /nfs/dbraw/zinc/48/67/41/696486741.db2.gz VEKIFXGDKPMIGT-WBVHZDCISA-N 1 2 337.427 1.450 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@H]1C ZINC000994467336 696903511 /nfs/dbraw/zinc/90/35/11/696903511.db2.gz VCVAUGKIVSQSSE-DGCLKSJQSA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@H]1C ZINC000994467336 696903513 /nfs/dbraw/zinc/90/35/13/696903513.db2.gz VCVAUGKIVSQSSE-DGCLKSJQSA-N 1 2 336.823 1.516 20 30 EDEDLO N#Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)c[nH]1 ZINC001031622386 697339998 /nfs/dbraw/zinc/33/99/98/697339998.db2.gz BXCYNPLLZAUCSR-UHFFFAOYSA-N 1 2 337.358 1.759 20 30 EDEDLO O=C(NCC#CCO)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000923761572 697434074 /nfs/dbraw/zinc/43/40/74/697434074.db2.gz UPHGKMZAAPSQSU-UHFFFAOYSA-N 1 2 338.411 1.383 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(OC)nn2)C1 ZINC001031679499 697496863 /nfs/dbraw/zinc/49/68/63/697496863.db2.gz CYGPWSIKPVZGTK-CVEARBPZSA-N 1 2 346.431 1.014 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000921437515 697612790 /nfs/dbraw/zinc/61/27/90/697612790.db2.gz ZJVKIWONQWXLPI-UHFFFAOYSA-N 1 2 331.800 1.250 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2[nH]c(C)c(C(N)=O)c2CC)C1 ZINC001031727553 697961469 /nfs/dbraw/zinc/96/14/69/697961469.db2.gz KKBZFXPGXBGYPK-UHFFFAOYSA-N 1 2 338.839 1.399 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@H](C)C1 ZINC000943252468 698012305 /nfs/dbraw/zinc/01/23/05/698012305.db2.gz APMCALSJRMBDHV-CHWSQXEVSA-N 1 2 338.429 1.147 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@H](C)C1 ZINC000943252468 698012306 /nfs/dbraw/zinc/01/23/06/698012306.db2.gz APMCALSJRMBDHV-CHWSQXEVSA-N 1 2 338.429 1.147 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000943480426 698386864 /nfs/dbraw/zinc/38/68/64/698386864.db2.gz JIVWABUFRCSOHN-ZNMIVQPWSA-N 1 2 346.431 1.041 20 30 EDEDLO Cc1ncn(C)c1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031747728 698895230 /nfs/dbraw/zinc/89/52/30/698895230.db2.gz OUEBQUVHMZFGEL-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)cncc3C)CC2)C1 ZINC000941485324 701555163 /nfs/dbraw/zinc/55/51/63/701555163.db2.gz OTHQFEMQSKMWMP-UHFFFAOYSA-N 1 2 326.444 1.164 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000939044387 699101406 /nfs/dbraw/zinc/10/14/06/699101406.db2.gz DNWYMTZAXLTZNC-HNNXBMFYSA-N 1 2 344.459 1.768 20 30 EDEDLO C[C@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC000939053908 699114131 /nfs/dbraw/zinc/11/41/31/699114131.db2.gz BPCWNNWDKMHXNF-SWLSCSKDSA-N 1 2 339.399 1.248 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cc(C)ccc3C)CC2)C1 ZINC000941540665 701570429 /nfs/dbraw/zinc/57/04/29/701570429.db2.gz KDCVETITVADLAJ-UHFFFAOYSA-N 1 2 325.456 1.308 20 30 EDEDLO C[C@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)CO1 ZINC001031790092 699254900 /nfs/dbraw/zinc/25/49/00/699254900.db2.gz RFCSGKAHKUGMFT-BLLLJJGKSA-N 1 2 331.391 1.670 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000941593265 701586611 /nfs/dbraw/zinc/58/66/11/701586611.db2.gz VERGQXMGGLJBSL-OAHLLOKOSA-N 1 2 349.394 1.011 20 30 EDEDLO C=C(C)CC[NH+]1CC(N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000941580253 701588687 /nfs/dbraw/zinc/58/86/87/701588687.db2.gz YHVSGXZZIAXFLT-UHFFFAOYSA-N 1 2 343.475 1.695 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(-c4cn[nH]c4)cc3)CC2)C1 ZINC000941601078 701592669 /nfs/dbraw/zinc/59/26/69/701592669.db2.gz JGOZHVVXPFJDST-UHFFFAOYSA-N 1 2 349.438 1.152 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCO[C@H](CCC)C3)CC2)C1 ZINC000941617797 701597868 /nfs/dbraw/zinc/59/78/68/701597868.db2.gz HLYQBNKPKZRDIY-SJLPKXTDSA-N 1 2 333.476 1.043 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCO[C@@H](CC)C3)CC2)C1 ZINC000941632989 701600978 /nfs/dbraw/zinc/60/09/78/701600978.db2.gz YONLOHHBUZWVGV-AEFFLSMTSA-N 1 2 333.476 1.043 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3ccc(C)o3)CC2)C1 ZINC000941596390 701598189 /nfs/dbraw/zinc/59/81/89/701598189.db2.gz CXFUHBIMFGVAHU-MRXNPFEDSA-N 1 2 329.444 1.543 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(CC)CC)no3)CC2)C1 ZINC000941596375 701598232 /nfs/dbraw/zinc/59/82/32/701598232.db2.gz CJCXOKBINDYLQP-UHFFFAOYSA-N 1 2 344.459 1.653 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000939481587 699629228 /nfs/dbraw/zinc/62/92/28/699629228.db2.gz BYLAUFJENLSSGF-KSSFIOAISA-N 1 2 332.448 1.922 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC(=O)NC3CCCC3)C2)cc1 ZINC001031892374 700686691 /nfs/dbraw/zinc/68/66/91/700686691.db2.gz ZHBDULXZSRPTFQ-UHFFFAOYSA-N 1 2 339.439 1.388 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC000940753383 700890420 /nfs/dbraw/zinc/89/04/20/700890420.db2.gz KKMGXUVVGNRSHY-OWCLPIDISA-N 1 2 348.447 1.768 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC000940753383 700890422 /nfs/dbraw/zinc/89/04/22/700890422.db2.gz KKMGXUVVGNRSHY-OWCLPIDISA-N 1 2 348.447 1.768 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnc2n1CCCC2 ZINC001031922276 701074760 /nfs/dbraw/zinc/07/47/60/701074760.db2.gz ZGQUDUWDZSLFCA-UHFFFAOYSA-N 1 2 348.450 1.933 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000946001006 701353869 /nfs/dbraw/zinc/35/38/69/701353869.db2.gz KQPAYGOARTXTJE-DZGCQCFKSA-N 1 2 330.432 1.614 20 30 EDEDLO Cc1ccc(C[NH+]2CC(N3CCN(C(=O)[C@H](C)C#N)CC3)C2)cc1F ZINC000941348595 701482881 /nfs/dbraw/zinc/48/28/81/701482881.db2.gz PSJDHAKSJFVXBV-OAHLLOKOSA-N 1 2 344.434 1.622 20 30 EDEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cnc(CC(C)C)[nH]3)CC2)C1 ZINC000941408685 701521065 /nfs/dbraw/zinc/52/10/65/701521065.db2.gz PYZUHWDTJMAJLL-UHFFFAOYSA-N 1 2 345.491 1.626 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(Cc4ccccc4)CC3)CC2)C1 ZINC000941440246 701541801 /nfs/dbraw/zinc/54/18/01/701541801.db2.gz GECKNBHNABVPAZ-UHFFFAOYSA-N 1 2 337.467 1.471 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC000944380628 701849718 /nfs/dbraw/zinc/84/97/18/701849718.db2.gz PRLBIIXDSYPQIB-AWEZNQCLSA-N 1 2 343.431 1.343 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccnc(Cl)c3)C2)nc1 ZINC001032135335 701895891 /nfs/dbraw/zinc/89/58/91/701895891.db2.gz QBPUHOLWLWPUND-UHFFFAOYSA-N 1 2 340.814 1.973 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccc(C(N)=O)cc2)C1 ZINC001032180181 702130239 /nfs/dbraw/zinc/13/02/39/702130239.db2.gz OPQZMVNBOBEKQG-UHFFFAOYSA-N 1 2 348.406 1.519 20 30 EDEDLO Cc1noc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1 ZINC000941928320 702153083 /nfs/dbraw/zinc/15/30/83/702153083.db2.gz CXDCTIVPZICUIZ-MFKMUULPSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1noc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1 ZINC000941928320 702153089 /nfs/dbraw/zinc/15/30/89/702153089.db2.gz CXDCTIVPZICUIZ-MFKMUULPSA-N 1 2 328.376 1.218 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H](C)C1 ZINC000941979692 702268983 /nfs/dbraw/zinc/26/89/83/702268983.db2.gz MSLIZOMQOIAQNY-MFKMUULPSA-N 1 2 339.237 1.825 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cncnc2)[C@H](C)C1 ZINC000941979692 702268989 /nfs/dbraw/zinc/26/89/89/702268989.db2.gz MSLIZOMQOIAQNY-MFKMUULPSA-N 1 2 339.237 1.825 20 30 EDEDLO C[C@@H]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)O1 ZINC001031986930 702408987 /nfs/dbraw/zinc/40/89/87/702408987.db2.gz LBKJYQPVIRWJIZ-SJKOYZFVSA-N 1 2 331.391 1.813 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001031992471 702527438 /nfs/dbraw/zinc/52/74/38/702527438.db2.gz AWDPRDYWCVMTKO-QRVBRYPASA-N 1 2 342.414 1.793 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)[C@H](C)C1 ZINC000942150608 702660454 /nfs/dbraw/zinc/66/04/54/702660454.db2.gz DPDYUKYCYWIILG-ABAIWWIYSA-N 1 2 337.851 1.886 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)[C@H](C)C1 ZINC000942150608 702660456 /nfs/dbraw/zinc/66/04/56/702660456.db2.gz DPDYUKYCYWIILG-ABAIWWIYSA-N 1 2 337.851 1.886 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC000942345603 702855474 /nfs/dbraw/zinc/85/54/74/702855474.db2.gz ZRSQUQQAEHBDTD-OAHLLOKOSA-N 1 2 330.432 1.724 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnn(C)c1 ZINC001032673585 706702958 /nfs/dbraw/zinc/70/29/58/706702958.db2.gz YOSIUFFQYWPESA-XSLAGTTESA-N 1 2 344.459 1.577 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnn(C)c1 ZINC001032673585 706702959 /nfs/dbraw/zinc/70/29/59/706702959.db2.gz YOSIUFFQYWPESA-XSLAGTTESA-N 1 2 344.459 1.577 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@H]2C)cc1 ZINC000942554038 703066862 /nfs/dbraw/zinc/06/68/62/703066862.db2.gz XNQIBXPSYMZUTQ-DYVFJYSZSA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)C[C@H]2C)cc1 ZINC000942554038 703066864 /nfs/dbraw/zinc/06/68/64/703066864.db2.gz XNQIBXPSYMZUTQ-DYVFJYSZSA-N 1 2 338.411 2.000 20 30 EDEDLO C=CCCn1cc(C(=O)NCC2C[NH+]([C@@H](C)c3cnccn3)C2)nn1 ZINC001032041354 703170507 /nfs/dbraw/zinc/17/05/07/703170507.db2.gz KIQZBNJWKFLVDS-ZDUSSCGKSA-N 1 2 341.419 1.067 20 30 EDEDLO C=C(Br)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379289 703353593 /nfs/dbraw/zinc/35/35/93/703353593.db2.gz LYKLCCIPVGGTQY-RYUDHWBXSA-N 1 2 339.237 1.536 20 30 EDEDLO CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000942854218 703387620 /nfs/dbraw/zinc/38/76/20/703387620.db2.gz OUOOIPMTVIOEIT-TZMCWYRMSA-N 1 2 339.399 1.786 20 30 EDEDLO C=C(Br)C[NH+]1CCC([C@@H](C)NC(=O)c2cn[nH]n2)CC1 ZINC000997199640 703481345 /nfs/dbraw/zinc/48/13/45/703481345.db2.gz VYKUOVKTGGPHDW-SNVBAGLBSA-N 1 2 342.241 1.544 20 30 EDEDLO C[N@@H+]1CCc2ncnc(NC[C@@H]3CCN(C(=O)C#CC4CC4)C3)c2C1 ZINC001060870264 703782043 /nfs/dbraw/zinc/78/20/43/703782043.db2.gz LIYIFYCWAGKTRZ-HNNXBMFYSA-N 1 2 339.443 1.138 20 30 EDEDLO C[N@H+]1CCc2ncnc(NC[C@@H]3CCN(C(=O)C#CC4CC4)C3)c2C1 ZINC001060870264 703782044 /nfs/dbraw/zinc/78/20/44/703782044.db2.gz LIYIFYCWAGKTRZ-HNNXBMFYSA-N 1 2 339.443 1.138 20 30 EDEDLO C[C@H](NC(=O)c1cc(C#N)c[nH]1)C1CC[NH+](Cc2cnon2)CC1 ZINC000997532176 703786111 /nfs/dbraw/zinc/78/61/11/703786111.db2.gz AZILMYBWEZLSHY-NSHDSACASA-N 1 2 328.376 1.300 20 30 EDEDLO Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)c3c[nH]c(C#N)c3)CC2)[nH]1 ZINC000997553426 703826401 /nfs/dbraw/zinc/82/64/01/703826401.db2.gz YNBRYSXMCANCBV-NSHDSACASA-N 1 2 341.419 1.343 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC(C[NH2+]Cc2nsc(N(C)C)n2)CC1 ZINC000997619408 703917609 /nfs/dbraw/zinc/91/76/09/703917609.db2.gz WEKJGVAMPMPYMJ-NSHDSACASA-N 1 2 336.465 1.092 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC000999290484 706785657 /nfs/dbraw/zinc/78/56/57/706785657.db2.gz JYEORRXNNSQHLV-MRXNPFEDSA-N 1 2 342.443 1.368 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)nn1 ZINC001061478253 704269531 /nfs/dbraw/zinc/26/95/31/704269531.db2.gz SQJRQIXEYOPDSY-AWEZNQCLSA-N 1 2 347.382 1.623 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cn3c(n2)CCC3)CC1 ZINC001004445855 704428430 /nfs/dbraw/zinc/42/84/30/704428430.db2.gz BOAKAGSXSZJXMK-INIZCTEOSA-N 1 2 327.432 1.669 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cn3c(n2)CCC3)CC1 ZINC001004445855 704428433 /nfs/dbraw/zinc/42/84/33/704428433.db2.gz BOAKAGSXSZJXMK-INIZCTEOSA-N 1 2 327.432 1.669 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000945034772 704964188 /nfs/dbraw/zinc/96/41/88/704964188.db2.gz FQVTYEYNRWZXDF-ZIAGYGMSSA-N 1 2 343.431 1.199 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000945034772 704964190 /nfs/dbraw/zinc/96/41/90/704964190.db2.gz FQVTYEYNRWZXDF-ZIAGYGMSSA-N 1 2 343.431 1.199 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000945034771 704964205 /nfs/dbraw/zinc/96/42/05/704964205.db2.gz FQVTYEYNRWZXDF-UONOGXRCSA-N 1 2 343.431 1.199 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000945034771 704964207 /nfs/dbraw/zinc/96/42/07/704964207.db2.gz FQVTYEYNRWZXDF-UONOGXRCSA-N 1 2 343.431 1.199 20 30 EDEDLO N#CCN[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998263752 705633447 /nfs/dbraw/zinc/63/34/47/705633447.db2.gz XPXKTTYMIMHEEG-WDEREUQCSA-N 1 2 329.326 1.235 20 30 EDEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)O1 ZINC001032638483 706101538 /nfs/dbraw/zinc/10/15/38/706101538.db2.gz BLSQCLFQMFXDSF-XFKAJCMBSA-N 1 2 325.412 1.911 20 30 EDEDLO C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)O1 ZINC001032638483 706101539 /nfs/dbraw/zinc/10/15/39/706101539.db2.gz BLSQCLFQMFXDSF-XFKAJCMBSA-N 1 2 325.412 1.911 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cscn2)C1 ZINC000998928426 706356531 /nfs/dbraw/zinc/35/65/31/706356531.db2.gz LMPWTXGKOVTLBA-BCLQGDPASA-N 1 2 332.473 1.320 20 30 EDEDLO CCc1noc([C@H](C)[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998958352 706398890 /nfs/dbraw/zinc/39/88/90/706398890.db2.gz UWQGXNABZDZMAW-AAEUAGOBSA-N 1 2 342.403 1.787 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nnc3ccccc3n2)C1 ZINC001033263662 707300533 /nfs/dbraw/zinc/30/05/33/707300533.db2.gz VTULDWTUTQHMTG-LBPRGKRZSA-N 1 2 331.807 1.924 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nnc3ccccc3n2)C1 ZINC001033263662 707300535 /nfs/dbraw/zinc/30/05/35/707300535.db2.gz VTULDWTUTQHMTG-LBPRGKRZSA-N 1 2 331.807 1.924 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001033203002 707597489 /nfs/dbraw/zinc/59/74/89/707597489.db2.gz KNHUYZUAVRJCCM-NSHDSACASA-N 1 2 335.795 1.562 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001033203002 707597492 /nfs/dbraw/zinc/59/74/92/707597492.db2.gz KNHUYZUAVRJCCM-NSHDSACASA-N 1 2 335.795 1.562 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)nc2ccccn21 ZINC001032768083 707912822 /nfs/dbraw/zinc/91/28/22/707912822.db2.gz BCGXAYZTROSVTO-STQMWFEESA-N 1 2 328.803 1.910 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)nc2ccccn21 ZINC001032768083 707912828 /nfs/dbraw/zinc/91/28/28/707912828.db2.gz BCGXAYZTROSVTO-STQMWFEESA-N 1 2 328.803 1.910 20 30 EDEDLO Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032778592 707959001 /nfs/dbraw/zinc/95/90/01/707959001.db2.gz ZUZBVAVOVDXJEK-OALUTQOASA-N 1 2 348.450 1.906 20 30 EDEDLO Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032778592 707959002 /nfs/dbraw/zinc/95/90/02/707959002.db2.gz ZUZBVAVOVDXJEK-OALUTQOASA-N 1 2 348.450 1.906 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001033498381 707994361 /nfs/dbraw/zinc/99/43/61/707994361.db2.gz XVWUTMJWHBSXIA-BQFCYCMXSA-N 1 2 346.475 1.917 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001033498381 707994364 /nfs/dbraw/zinc/99/43/64/707994364.db2.gz XVWUTMJWHBSXIA-BQFCYCMXSA-N 1 2 346.475 1.917 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001061663553 708133440 /nfs/dbraw/zinc/13/34/40/708133440.db2.gz OIWRKVGONSDVBC-OAHLLOKOSA-N 1 2 334.420 1.042 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001061663553 708133442 /nfs/dbraw/zinc/13/34/42/708133442.db2.gz OIWRKVGONSDVBC-OAHLLOKOSA-N 1 2 334.420 1.042 20 30 EDEDLO CN(C(=O)c1cccnn1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033525578 708140487 /nfs/dbraw/zinc/14/04/87/708140487.db2.gz HGSLROOQHNRATF-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO CN(C(=O)c1cccnn1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033525578 708140490 /nfs/dbraw/zinc/14/04/90/708140490.db2.gz HGSLROOQHNRATF-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CNc2nccnc2C#N)C1 ZINC001061004190 708148979 /nfs/dbraw/zinc/14/89/79/708148979.db2.gz HIHWPSSQMLLCST-CHWSQXEVSA-N 1 2 339.403 1.211 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CNc2nccnc2C#N)C1 ZINC001061004190 708148981 /nfs/dbraw/zinc/14/89/81/708148981.db2.gz HIHWPSSQMLLCST-CHWSQXEVSA-N 1 2 339.403 1.211 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CNc2ccc(C#N)nn2)C1 ZINC001061004260 708149150 /nfs/dbraw/zinc/14/91/50/708149150.db2.gz IXKYEGPSGYEYNL-CHWSQXEVSA-N 1 2 339.403 1.211 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CNc2ccc(C#N)nn2)C1 ZINC001061004260 708149154 /nfs/dbraw/zinc/14/91/54/708149154.db2.gz IXKYEGPSGYEYNL-CHWSQXEVSA-N 1 2 339.403 1.211 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001005203288 708191676 /nfs/dbraw/zinc/19/16/76/708191676.db2.gz DTDORXMCLXOVSP-UHFFFAOYSA-N 1 2 337.427 1.947 20 30 EDEDLO N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001061021434 708242525 /nfs/dbraw/zinc/24/25/25/708242525.db2.gz DCLAFXFWZBQGPU-DAXOMENPSA-N 1 2 336.399 1.740 20 30 EDEDLO N#Cc1ccc(NC[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001061021434 708242528 /nfs/dbraw/zinc/24/25/28/708242528.db2.gz DCLAFXFWZBQGPU-DAXOMENPSA-N 1 2 336.399 1.740 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001033570675 708272385 /nfs/dbraw/zinc/27/23/85/708272385.db2.gz JOCCFCVOWSIIDN-CYBMUJFWSA-N 1 2 348.838 1.709 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001033570675 708272386 /nfs/dbraw/zinc/27/23/86/708272386.db2.gz JOCCFCVOWSIIDN-CYBMUJFWSA-N 1 2 348.838 1.709 20 30 EDEDLO N#Cc1nccc(N2CC[C@H](CNC(=O)c3cccc4[nH+]ccn43)C2)n1 ZINC001061680293 708467162 /nfs/dbraw/zinc/46/71/62/708467162.db2.gz KYNSSLSFAJISRM-CYBMUJFWSA-N 1 2 347.382 1.252 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cn(C)nc2C)CC1 ZINC001002474104 709008397 /nfs/dbraw/zinc/00/83/97/709008397.db2.gz SBCMWJNMUABYTH-UHFFFAOYSA-N 1 2 341.253 1.831 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn(CCC)nn2)C1 ZINC001034002363 709218501 /nfs/dbraw/zinc/21/85/01/709218501.db2.gz VDGKCFGMJSCJLT-ZDUSSCGKSA-N 1 2 325.844 1.977 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn(CCC)nn2)C1 ZINC001034002363 709218502 /nfs/dbraw/zinc/21/85/02/709218502.db2.gz VDGKCFGMJSCJLT-ZDUSSCGKSA-N 1 2 325.844 1.977 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001002783669 709389657 /nfs/dbraw/zinc/38/96/57/709389657.db2.gz WLZYQGBBJRCYDE-HNAYVOBHSA-N 1 2 344.459 1.622 20 30 EDEDLO C[C@H](c1nncn1C)[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034163811 709436655 /nfs/dbraw/zinc/43/66/55/709436655.db2.gz BHHFRUQDKCDZLO-OCCSQVGLSA-N 1 2 341.419 1.360 20 30 EDEDLO C[C@H](c1nncn1C)[N@H+]1CCCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034163811 709436658 /nfs/dbraw/zinc/43/66/58/709436658.db2.gz BHHFRUQDKCDZLO-OCCSQVGLSA-N 1 2 341.419 1.360 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC001002849466 709458810 /nfs/dbraw/zinc/45/88/10/709458810.db2.gz SXUFEQOLWKUOQM-ZBFHGGJFSA-N 1 2 334.420 1.440 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)c2ncnc3c2C[N@H+](C)CC3)C1 ZINC001061177875 709480993 /nfs/dbraw/zinc/48/09/93/709480993.db2.gz AQRZCNWTXCJCLC-UONOGXRCSA-N 1 2 342.447 1.051 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC001061177875 709480998 /nfs/dbraw/zinc/48/09/98/709480998.db2.gz AQRZCNWTXCJCLC-UONOGXRCSA-N 1 2 342.447 1.051 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ncccn2)C1 ZINC001034404711 709952606 /nfs/dbraw/zinc/95/26/06/709952606.db2.gz VMQDYMVXVGFIQL-XHSDSOJGSA-N 1 2 330.432 1.538 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ncccn2)C1 ZINC001034404711 709952609 /nfs/dbraw/zinc/95/26/09/709952609.db2.gz VMQDYMVXVGFIQL-XHSDSOJGSA-N 1 2 330.432 1.538 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001034487803 710135807 /nfs/dbraw/zinc/13/58/07/710135807.db2.gz QSCKKYUWRPMHIA-STQMWFEESA-N 1 2 337.855 1.633 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC001034487803 710135809 /nfs/dbraw/zinc/13/58/09/710135809.db2.gz QSCKKYUWRPMHIA-STQMWFEESA-N 1 2 337.855 1.633 20 30 EDEDLO C=C(Br)CN1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547345 710221594 /nfs/dbraw/zinc/22/15/94/710221594.db2.gz PQWHFBQHUIJBCG-CYBMUJFWSA-N 1 2 341.253 1.762 20 30 EDEDLO C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001061764907 710315810 /nfs/dbraw/zinc/31/58/10/710315810.db2.gz BIVLQIJOLQZADM-INIZCTEOSA-N 1 2 348.447 1.053 20 30 EDEDLO C=C[C@H](CC)CC(=O)NC[C@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001061798843 710979975 /nfs/dbraw/zinc/97/99/75/710979975.db2.gz HDFZZXBTOUEAFC-ZBFHGGJFSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C[C@H](CC)CC(=O)NC[C@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001061798843 710979976 /nfs/dbraw/zinc/97/99/76/710979976.db2.gz HDFZZXBTOUEAFC-ZBFHGGJFSA-N 1 2 348.447 1.288 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001034887676 711292929 /nfs/dbraw/zinc/29/29/29/711292929.db2.gz ZATGZKVNTRGUDR-RKDXNWHRSA-N 1 2 347.366 1.797 20 30 EDEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC001033019607 711298190 /nfs/dbraw/zinc/29/81/90/711298190.db2.gz AQQZGVVSMGBWKK-MRXNPFEDSA-N 1 2 343.431 1.091 20 30 EDEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC001033019607 711298192 /nfs/dbraw/zinc/29/81/92/711298192.db2.gz AQQZGVVSMGBWKK-MRXNPFEDSA-N 1 2 343.431 1.091 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001033137977 711927510 /nfs/dbraw/zinc/92/75/10/711927510.db2.gz BTVJLOYMTRIUMM-HIFRSBDPSA-N 1 2 334.851 1.867 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3ncncc3C2)C1 ZINC001033137977 711927513 /nfs/dbraw/zinc/92/75/13/711927513.db2.gz BTVJLOYMTRIUMM-HIFRSBDPSA-N 1 2 334.851 1.867 20 30 EDEDLO Cn1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(Cl)n1 ZINC001004597631 712040009 /nfs/dbraw/zinc/04/00/09/712040009.db2.gz SZIAYSIPVCFFQB-AWEZNQCLSA-N 1 2 335.839 1.914 20 30 EDEDLO Cn1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c(Cl)n1 ZINC001004597631 712040011 /nfs/dbraw/zinc/04/00/11/712040011.db2.gz SZIAYSIPVCFFQB-AWEZNQCLSA-N 1 2 335.839 1.914 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2ccccc2=O)CC1 ZINC001004624085 712071730 /nfs/dbraw/zinc/07/17/30/712071730.db2.gz RBMLRMHSIXPNLP-MRXNPFEDSA-N 1 2 328.416 1.075 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2ccccc2=O)CC1 ZINC001004624085 712071732 /nfs/dbraw/zinc/07/17/32/712071732.db2.gz RBMLRMHSIXPNLP-MRXNPFEDSA-N 1 2 328.416 1.075 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)CCN1CC(F)F ZINC000153484145 529385444 /nfs/dbraw/zinc/38/54/44/529385444.db2.gz QEGZDSKCUCYVFO-UONOGXRCSA-N 1 2 330.423 1.656 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)CCN1CC(F)F ZINC000153484145 529385446 /nfs/dbraw/zinc/38/54/46/529385446.db2.gz QEGZDSKCUCYVFO-UONOGXRCSA-N 1 2 330.423 1.656 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccccc3OCC#N)CC2)S1 ZINC000174406650 231200666 /nfs/dbraw/zinc/20/06/66/231200666.db2.gz CISFKYNAGFYBQO-CYBMUJFWSA-N 1 2 344.440 1.838 20 30 EDEDLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000328830882 539370435 /nfs/dbraw/zinc/37/04/35/539370435.db2.gz KAYBZTSRHNRSFW-QWHCGFSZSA-N 1 2 329.466 1.223 20 30 EDEDLO O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCn2cc[nH+]c2C1 ZINC000329832202 539467326 /nfs/dbraw/zinc/46/73/26/539467326.db2.gz KIARUKUOLRDOCF-CYBMUJFWSA-N 1 2 346.412 1.531 20 30 EDEDLO CCCCn1c(SCC(=O)NCC#N)nnc1[C@@H](CC)[NH+](C)C ZINC000176539710 282983576 /nfs/dbraw/zinc/98/35/76/282983576.db2.gz LHEQTFZGWQIPCD-GFCCVEGCSA-N 1 2 338.481 1.823 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000563444234 306333490 /nfs/dbraw/zinc/33/34/90/306333490.db2.gz MRVGGZYKQVJQDM-UHFFFAOYSA-N 1 2 327.344 1.277 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000563444234 306333491 /nfs/dbraw/zinc/33/34/91/306333491.db2.gz MRVGGZYKQVJQDM-UHFFFAOYSA-N 1 2 327.344 1.277 20 30 EDEDLO C[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(C#N)cc1 ZINC000073615547 138220117 /nfs/dbraw/zinc/22/01/17/138220117.db2.gz FSEGCRBULQXXFV-UHFFFAOYSA-N 1 2 334.379 1.975 20 30 EDEDLO C[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(C#N)cc1 ZINC000073615547 138220118 /nfs/dbraw/zinc/22/01/18/138220118.db2.gz FSEGCRBULQXXFV-UHFFFAOYSA-N 1 2 334.379 1.975 20 30 EDEDLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)CCCCC#N)C[C@H](C)O1 ZINC000109337468 237107489 /nfs/dbraw/zinc/10/74/89/237107489.db2.gz CVEZMGBRIYSZKG-KBPBESRZSA-N 1 2 331.482 1.487 20 30 EDEDLO C[C@H](Cc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000112045062 237121334 /nfs/dbraw/zinc/12/13/34/237121334.db2.gz ZEKDEDOEHGWCNI-QGZVFWFLSA-N 1 2 329.444 1.940 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c1C#N ZINC000129910919 223102297 /nfs/dbraw/zinc/10/22/97/223102297.db2.gz BPARXWUSNBQTGD-UHFFFAOYSA-N 1 2 325.372 1.550 20 30 EDEDLO Cc1sc(NC(=O)C[NH+]2CCC(NC(N)=O)CC2)c(C#N)c1C ZINC000079467042 217229608 /nfs/dbraw/zinc/22/96/08/217229608.db2.gz VQGVSCPNNJLBLY-UHFFFAOYSA-N 1 2 335.433 1.308 20 30 EDEDLO N#CCOc1ccc(C[NH+]2CCN(c3nc(N)ns3)CC2)cc1 ZINC000268300677 249372945 /nfs/dbraw/zinc/37/29/45/249372945.db2.gz MMZQDGUKWFHXCY-UHFFFAOYSA-N 1 2 330.417 1.345 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)NCc2ccccc2OC)CC1 ZINC000341985846 250005003 /nfs/dbraw/zinc/00/50/03/250005003.db2.gz XREMPYHBKNMSJW-UHFFFAOYSA-N 1 2 331.416 1.564 20 30 EDEDLO C=CCCOCCCCC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000345068118 250025145 /nfs/dbraw/zinc/02/51/45/250025145.db2.gz ZKXNEROWRUMNJC-RDTXWAMCSA-N 1 2 348.447 1.619 20 30 EDEDLO COc1cccc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 ZINC000345777099 250034995 /nfs/dbraw/zinc/03/49/95/250034995.db2.gz UAWJUZPPRSEKJM-HNNXBMFYSA-N 1 2 342.443 1.768 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000347040527 250052075 /nfs/dbraw/zinc/05/20/75/250052075.db2.gz RGECDKWLBVHLEJ-GFCCVEGCSA-N 1 2 331.807 1.792 20 30 EDEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000347008750 250052406 /nfs/dbraw/zinc/05/24/06/250052406.db2.gz FOLUDXMPSVWCOJ-UHFFFAOYSA-N 1 2 327.384 1.394 20 30 EDEDLO COC(=O)c1ccc2c(c1)C[N@H+](CC(=O)NC1(C#N)CCC1)CC2 ZINC000347008750 250052411 /nfs/dbraw/zinc/05/24/11/250052411.db2.gz FOLUDXMPSVWCOJ-UHFFFAOYSA-N 1 2 327.384 1.394 20 30 EDEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347053924 250052548 /nfs/dbraw/zinc/05/25/48/250052548.db2.gz LIKMTZOGPJPNOG-ZAMGYDSWSA-N 1 2 333.457 1.979 20 30 EDEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347053924 250052552 /nfs/dbraw/zinc/05/25/52/250052552.db2.gz LIKMTZOGPJPNOG-ZAMGYDSWSA-N 1 2 333.457 1.979 20 30 EDEDLO C=CCOc1ccccc1CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348500512 250056351 /nfs/dbraw/zinc/05/63/51/250056351.db2.gz RVIUEWRRBSBIGD-AWEZNQCLSA-N 1 2 326.356 1.638 20 30 EDEDLO C=CCOc1ccccc1CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348500512 250056355 /nfs/dbraw/zinc/05/63/55/250056355.db2.gz RVIUEWRRBSBIGD-AWEZNQCLSA-N 1 2 326.356 1.638 20 30 EDEDLO COc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc(OC)c1OCC(N)=O ZINC000354044543 250085560 /nfs/dbraw/zinc/08/55/60/250085560.db2.gz JPAKAAQZYXHAFE-LBPRGKRZSA-N 1 2 347.415 1.692 20 30 EDEDLO COc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc(OC)c1OCC(N)=O ZINC000354044543 250085565 /nfs/dbraw/zinc/08/55/65/250085565.db2.gz JPAKAAQZYXHAFE-LBPRGKRZSA-N 1 2 347.415 1.692 20 30 EDEDLO C=CCOc1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1OC ZINC000355088374 250105206 /nfs/dbraw/zinc/10/52/06/250105206.db2.gz NZGQLOINNMDZOD-CQSZACIVSA-N 1 2 334.416 1.711 20 30 EDEDLO C=CCOc1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1OC ZINC000355088374 250105210 /nfs/dbraw/zinc/10/52/10/250105210.db2.gz NZGQLOINNMDZOD-CQSZACIVSA-N 1 2 334.416 1.711 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355130916 250106945 /nfs/dbraw/zinc/10/69/45/250106945.db2.gz UDONZGKIYUQDAS-HIFRSBDPSA-N 1 2 347.463 1.253 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355130916 250106947 /nfs/dbraw/zinc/10/69/47/250106947.db2.gz UDONZGKIYUQDAS-HIFRSBDPSA-N 1 2 347.463 1.253 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000355346126 250113645 /nfs/dbraw/zinc/11/36/45/250113645.db2.gz KILAIKRBGLPTQE-BBRMVZONSA-N 1 2 345.447 1.634 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000355346126 250113648 /nfs/dbraw/zinc/11/36/48/250113648.db2.gz KILAIKRBGLPTQE-BBRMVZONSA-N 1 2 345.447 1.634 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000354884706 250100061 /nfs/dbraw/zinc/10/00/61/250100061.db2.gz RPNXWSXDISBKTN-BPLDGKMQSA-N 1 2 331.420 1.292 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000354884706 250100066 /nfs/dbraw/zinc/10/00/66/250100066.db2.gz RPNXWSXDISBKTN-BPLDGKMQSA-N 1 2 331.420 1.292 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000368822597 250201233 /nfs/dbraw/zinc/20/12/33/250201233.db2.gz LBWRNJYNGKGOFW-HOCLYGCPSA-N 1 2 344.415 1.754 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101558450 533173716 /nfs/dbraw/zinc/17/37/16/533173716.db2.gz VQIUBVFFTDUPRS-AWEZNQCLSA-N 1 2 343.406 1.580 20 30 EDEDLO Cc1nn(C)c(N2CCN(Cc3c[nH+]c4c(C)cccn34)CC2)c1C#N ZINC000471821946 255016006 /nfs/dbraw/zinc/01/60/06/255016006.db2.gz UDWXVZUFUOHTHC-UHFFFAOYSA-N 1 2 349.442 1.879 20 30 EDEDLO C#CC[N@@H+](CC(=O)Nc1cccc(C(=O)OC)n1)Cc1ccccc1 ZINC000491071631 255118729 /nfs/dbraw/zinc/11/87/29/255118729.db2.gz MHCFUEOUQINRGS-UHFFFAOYSA-N 1 2 337.379 1.942 20 30 EDEDLO C#CC[N@H+](CC(=O)Nc1cccc(C(=O)OC)n1)Cc1ccccc1 ZINC000491071631 255118731 /nfs/dbraw/zinc/11/87/31/255118731.db2.gz MHCFUEOUQINRGS-UHFFFAOYSA-N 1 2 337.379 1.942 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2(C(F)(F)F)CC2)CC1 ZINC000491095995 255120323 /nfs/dbraw/zinc/12/03/23/255120323.db2.gz OJQKXLUMQZJLKJ-UHFFFAOYSA-N 1 2 345.365 1.003 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2(C(F)(F)F)CC2)CC1 ZINC000491095995 255120325 /nfs/dbraw/zinc/12/03/25/255120325.db2.gz OJQKXLUMQZJLKJ-UHFFFAOYSA-N 1 2 345.365 1.003 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(N3CCCC3=O)cc2)CC1 ZINC000490763904 255105656 /nfs/dbraw/zinc/10/56/56/255105656.db2.gz XYUHFCLBNGBPQC-UHFFFAOYSA-N 1 2 340.427 1.003 20 30 EDEDLO C#CCN1CCN(C(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)CC1 ZINC000490949908 255111837 /nfs/dbraw/zinc/11/18/37/255111837.db2.gz MWORVYMJMKIMIT-QGZVFWFLSA-N 1 2 347.459 1.360 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccccc2SC)CC1 ZINC000491040173 255115291 /nfs/dbraw/zinc/11/52/91/255115291.db2.gz SLXRLWDMPPVAKX-UHFFFAOYSA-N 1 2 331.485 1.618 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccccc2SC)CC1 ZINC000491040173 255115292 /nfs/dbraw/zinc/11/52/92/255115292.db2.gz SLXRLWDMPPVAKX-UHFFFAOYSA-N 1 2 331.485 1.618 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000491635308 255135055 /nfs/dbraw/zinc/13/50/55/255135055.db2.gz RSPRHYYJLAZRQD-UHSVVUDUSA-N 1 2 343.427 1.657 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000491635308 255135057 /nfs/dbraw/zinc/13/50/57/255135057.db2.gz RSPRHYYJLAZRQD-UHSVVUDUSA-N 1 2 343.427 1.657 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000491643181 255136758 /nfs/dbraw/zinc/13/67/58/255136758.db2.gz ZRHFPZCZZWKFHH-KFWWJZLASA-N 1 2 330.432 1.858 20 30 EDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000491667558 255137442 /nfs/dbraw/zinc/13/74/42/255137442.db2.gz VGGJAYWUABRNJJ-GFCCVEGCSA-N 1 2 333.344 1.266 20 30 EDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000491667558 255137444 /nfs/dbraw/zinc/13/74/44/255137444.db2.gz VGGJAYWUABRNJJ-GFCCVEGCSA-N 1 2 333.344 1.266 20 30 EDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000491671444 255138368 /nfs/dbraw/zinc/13/83/68/255138368.db2.gz WVNUCQYRTRTIDI-HNNXBMFYSA-N 1 2 326.396 1.073 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(CC#N)cc2Cl)CC1 ZINC000491674069 255139196 /nfs/dbraw/zinc/13/91/96/255139196.db2.gz REJROWAIKACALR-UHFFFAOYSA-N 1 2 330.819 1.595 20 30 EDEDLO C#C[C@@H](CC)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000491786511 255147600 /nfs/dbraw/zinc/14/76/00/255147600.db2.gz TYSJAVHOXBSTIN-HOCLYGCPSA-N 1 2 330.432 1.545 20 30 EDEDLO C#C[C@@H](CC)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000491786511 255147601 /nfs/dbraw/zinc/14/76/01/255147601.db2.gz TYSJAVHOXBSTIN-HOCLYGCPSA-N 1 2 330.432 1.545 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](Cc2cnc3ccc(C)cc3c2)CC1 ZINC000491813247 255149033 /nfs/dbraw/zinc/14/90/33/255149033.db2.gz GUBOWKXFUOXSRC-UHFFFAOYSA-N 1 2 336.439 1.410 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000491817644 255149526 /nfs/dbraw/zinc/14/95/26/255149526.db2.gz YVYOKKBUWWLCSY-YJBOKZPZSA-N 1 2 343.427 1.946 20 30 EDEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000493112754 255191833 /nfs/dbraw/zinc/19/18/33/255191833.db2.gz DXYAPMAQXOLFPO-ONEGZZNKSA-N 1 2 336.399 1.532 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000495751477 255320770 /nfs/dbraw/zinc/32/07/70/255320770.db2.gz ZPGZUIVBQYWLOH-RHSMWYFYSA-N 1 2 338.452 1.594 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000495751477 255320771 /nfs/dbraw/zinc/32/07/71/255320771.db2.gz ZPGZUIVBQYWLOH-RHSMWYFYSA-N 1 2 338.452 1.594 20 30 EDEDLO C[C@@](O)(CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000270147832 140051573 /nfs/dbraw/zinc/05/15/73/140051573.db2.gz UUAWMGLPQJLBFW-LJQANCHMSA-N 1 2 327.428 1.754 20 30 EDEDLO Cc1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000272002990 140385836 /nfs/dbraw/zinc/38/58/36/140385836.db2.gz KTPNCMIVTVZKFV-UHFFFAOYSA-N 1 2 335.411 1.923 20 30 EDEDLO Cc1onc(CC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1C#N ZINC000332331865 141163664 /nfs/dbraw/zinc/16/36/64/141163664.db2.gz ZAOAAMQCANOMEL-ZDUSSCGKSA-N 1 2 339.399 1.698 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C#N ZINC000339667757 142113480 /nfs/dbraw/zinc/11/34/80/142113480.db2.gz IHRNSYZZMUEPRL-NEPJUHHUSA-N 1 2 332.429 1.737 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC000339667757 142113481 /nfs/dbraw/zinc/11/34/81/142113481.db2.gz IHRNSYZZMUEPRL-NEPJUHHUSA-N 1 2 332.429 1.737 20 30 EDEDLO N#Cc1cccc(CNC(=O)C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000339930673 142203688 /nfs/dbraw/zinc/20/36/88/142203688.db2.gz PSDRGPFHVGYDFL-UHFFFAOYSA-N 1 2 347.378 1.181 20 30 EDEDLO Cn1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C#N ZINC000353534914 149442154 /nfs/dbraw/zinc/44/21/54/149442154.db2.gz LQVBZQNWYQDAAL-UHFFFAOYSA-N 1 2 334.383 1.121 20 30 EDEDLO CCOCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355111762 150122119 /nfs/dbraw/zinc/12/21/19/150122119.db2.gz XTRFCPRJPCYMKR-OAHLLOKOSA-N 1 2 345.447 1.007 20 30 EDEDLO COc1c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c(C)nn1C ZINC000355453562 150274572 /nfs/dbraw/zinc/27/45/72/150274572.db2.gz JMDQRUBNPUCIGP-UHFFFAOYSA-N 1 2 326.404 1.326 20 30 EDEDLO N#Cc1cccc(NC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000360995510 152274102 /nfs/dbraw/zinc/27/41/02/152274102.db2.gz OCZRRJYUKHAMCB-UHFFFAOYSA-N 1 2 345.362 1.999 20 30 EDEDLO N#Cc1ccc(CSCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000363942163 153103301 /nfs/dbraw/zinc/10/33/01/153103301.db2.gz SXCHFWGZOQZZEQ-QGZVFWFLSA-N 1 2 345.468 1.725 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCc3cc[nH]c(=O)c3C2)C1=O ZINC000369595008 155102795 /nfs/dbraw/zinc/10/27/95/155102795.db2.gz MKPLZFMVMOUDEQ-AWEZNQCLSA-N 1 2 340.408 1.884 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCc3cc[nH]c(=O)c3C2)C1=O ZINC000369595008 155102797 /nfs/dbraw/zinc/10/27/97/155102797.db2.gz MKPLZFMVMOUDEQ-AWEZNQCLSA-N 1 2 340.408 1.884 20 30 EDEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@]2(CCOC2)O1 ZINC000332974396 287206925 /nfs/dbraw/zinc/20/69/25/287206925.db2.gz SJYLLNSFNYREQN-FRQCXROJSA-N 1 2 349.475 1.987 20 30 EDEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C[C@@]2(CCOC2)O1 ZINC000332974396 287206929 /nfs/dbraw/zinc/20/69/29/287206929.db2.gz SJYLLNSFNYREQN-FRQCXROJSA-N 1 2 349.475 1.987 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000076375605 287282470 /nfs/dbraw/zinc/28/24/70/287282470.db2.gz LDCHUSUUPYHHIH-UHFFFAOYSA-N 1 2 343.362 1.805 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093610600 287335646 /nfs/dbraw/zinc/33/56/46/287335646.db2.gz GXAQLJZZQUCCDT-CYBMUJFWSA-N 1 2 330.413 1.686 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093610600 287335647 /nfs/dbraw/zinc/33/56/47/287335647.db2.gz GXAQLJZZQUCCDT-CYBMUJFWSA-N 1 2 330.413 1.686 20 30 EDEDLO CCOC(=O)N(C)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115540786 287344810 /nfs/dbraw/zinc/34/48/10/287344810.db2.gz ULMIEFMQWMILOQ-MRXNPFEDSA-N 1 2 344.415 1.637 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159372435 225205308 /nfs/dbraw/zinc/20/53/08/225205308.db2.gz YYFICERVOSIXFV-OAHLLOKOSA-N 1 2 342.424 1.819 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1cccc(C#N)c1 ZINC000286729152 269894639 /nfs/dbraw/zinc/89/46/39/269894639.db2.gz STAKWPRKWLOBPT-YOEHRIQHSA-N 1 2 328.416 1.563 20 30 EDEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1cccc(C#N)c1 ZINC000119653672 264246821 /nfs/dbraw/zinc/24/68/21/264246821.db2.gz FFZSMMXKTOMPFY-AWEZNQCLSA-N 1 2 328.416 1.139 20 30 EDEDLO C=CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1cccc(C#N)c1 ZINC000119653672 264246822 /nfs/dbraw/zinc/24/68/22/264246822.db2.gz FFZSMMXKTOMPFY-AWEZNQCLSA-N 1 2 328.416 1.139 20 30 EDEDLO CCN(C1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1)S(C)(=O)=O ZINC000301687684 266104143 /nfs/dbraw/zinc/10/41/43/266104143.db2.gz VHYAODUZOOZNQV-UHFFFAOYSA-N 1 2 336.461 1.820 20 30 EDEDLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292364507 267132382 /nfs/dbraw/zinc/13/23/82/267132382.db2.gz YDXVRPDGCHUZJY-ZYHUDNBSSA-N 1 2 342.321 1.473 20 30 EDEDLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292364507 267132385 /nfs/dbraw/zinc/13/23/85/267132385.db2.gz YDXVRPDGCHUZJY-ZYHUDNBSSA-N 1 2 342.321 1.473 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285019309 267138305 /nfs/dbraw/zinc/13/83/05/267138305.db2.gz ZOWZSQHYDYUZQE-XYPHTWIQSA-N 1 2 328.416 1.290 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285019309 267138306 /nfs/dbraw/zinc/13/83/06/267138306.db2.gz ZOWZSQHYDYUZQE-XYPHTWIQSA-N 1 2 328.416 1.290 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000289736086 267138643 /nfs/dbraw/zinc/13/86/43/267138643.db2.gz JIQZGRNJCMTCIU-IIDMSEBBSA-N 1 2 342.443 1.680 20 30 EDEDLO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC(=O)N1 ZINC000296275375 267229111 /nfs/dbraw/zinc/22/91/11/267229111.db2.gz QTRDIVNPXAPOPH-NSHDSACASA-N 1 2 346.456 1.647 20 30 EDEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC(=O)N1 ZINC000296275375 267229113 /nfs/dbraw/zinc/22/91/13/267229113.db2.gz QTRDIVNPXAPOPH-NSHDSACASA-N 1 2 346.456 1.647 20 30 EDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000453952208 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COCCc1noc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000151014057 441991546 /nfs/dbraw/zinc/99/15/46/441991546.db2.gz HGJPWLNPFMEAIB-UHFFFAOYSA-N 1 2 343.387 1.591 20 30 EDEDLO COCCc1noc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)n1 ZINC000151014057 441991550 /nfs/dbraw/zinc/99/15/50/441991550.db2.gz HGJPWLNPFMEAIB-UHFFFAOYSA-N 1 2 343.387 1.591 20 30 EDEDLO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125301007 442006963 /nfs/dbraw/zinc/00/69/63/442006963.db2.gz KCCMZULWGNKICY-GFCCVEGCSA-N 1 2 343.399 1.989 20 30 EDEDLO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125301007 442006967 /nfs/dbraw/zinc/00/69/67/442006967.db2.gz KCCMZULWGNKICY-GFCCVEGCSA-N 1 2 343.399 1.989 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2c(c1)CCO2 ZINC000161683406 442022564 /nfs/dbraw/zinc/02/25/64/442022564.db2.gz ZWYBOFHGSOTWQF-UHFFFAOYSA-N 1 2 329.400 1.310 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)c(C)[nH+]1 ZINC000163747609 442180197 /nfs/dbraw/zinc/18/01/97/442180197.db2.gz AKSIZMFASJCSBG-UHFFFAOYSA-N 1 2 337.383 1.974 20 30 EDEDLO N#CCc1cccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000456728527 447447137 /nfs/dbraw/zinc/44/71/37/447447137.db2.gz JRNKTLHPWYJUQA-UHFFFAOYSA-N 1 2 335.411 1.908 20 30 EDEDLO Cc1cc[nH+]c(N2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000166386528 442216411 /nfs/dbraw/zinc/21/64/11/442216411.db2.gz SRTPNMYYNIJGHQ-QFBILLFUSA-N 1 2 343.475 1.955 20 30 EDEDLO CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000128391622 442263628 /nfs/dbraw/zinc/26/36/28/442263628.db2.gz BMZXRNZUBSMLEO-UHFFFAOYSA-N 1 2 334.420 1.945 20 30 EDEDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000128391622 442263632 /nfs/dbraw/zinc/26/36/32/442263632.db2.gz BMZXRNZUBSMLEO-UHFFFAOYSA-N 1 2 334.420 1.945 20 30 EDEDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)nc3)sc2C1 ZINC000171147124 442319185 /nfs/dbraw/zinc/31/91/85/442319185.db2.gz QGRYYLUNPUMQNW-UHFFFAOYSA-N 1 2 349.441 1.589 20 30 EDEDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)nc3)sc2C1 ZINC000171147124 442319189 /nfs/dbraw/zinc/31/91/89/442319189.db2.gz QGRYYLUNPUMQNW-UHFFFAOYSA-N 1 2 349.441 1.589 20 30 EDEDLO Cc1ccn2c(CN(CCC#N)CC[NH+]3CCOCC3)cnc2c1 ZINC000154744436 442354414 /nfs/dbraw/zinc/35/44/14/442354414.db2.gz ALRNLGCYUIMEMF-UHFFFAOYSA-N 1 2 327.432 1.691 20 30 EDEDLO COc1ccccc1C[N@H+](CCO)CC(=O)Nc1ccc(C#N)cc1 ZINC000171390271 442344982 /nfs/dbraw/zinc/34/49/82/442344982.db2.gz GJZIOOVHXULXSS-UHFFFAOYSA-N 1 2 339.395 2.000 20 30 EDEDLO COc1ccccc1C[N@@H+](CCO)CC(=O)Nc1ccc(C#N)cc1 ZINC000171390271 442344984 /nfs/dbraw/zinc/34/49/84/442344984.db2.gz GJZIOOVHXULXSS-UHFFFAOYSA-N 1 2 339.395 2.000 20 30 EDEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCN1Cc1ccccc1 ZINC000132497630 442394997 /nfs/dbraw/zinc/39/49/97/442394997.db2.gz JIURJGGMNLOLKN-MJGOQNOKSA-N 1 2 349.438 1.682 20 30 EDEDLO C[C@@H](CNS(=O)(=O)CCCC#N)[N@@H+]1CCc2sccc2C1 ZINC000171979983 442395594 /nfs/dbraw/zinc/39/55/94/442395594.db2.gz XQBKFEFTBJURPL-LBPRGKRZSA-N 1 2 327.475 1.718 20 30 EDEDLO C[C@@H](CNS(=O)(=O)CCCC#N)[N@H+]1CCc2sccc2C1 ZINC000171979983 442395595 /nfs/dbraw/zinc/39/55/95/442395595.db2.gz XQBKFEFTBJURPL-LBPRGKRZSA-N 1 2 327.475 1.718 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000155485606 442401590 /nfs/dbraw/zinc/40/15/90/442401590.db2.gz ADNYLPMDNAAXLT-CYBMUJFWSA-N 1 2 338.371 1.967 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000155485606 442401593 /nfs/dbraw/zinc/40/15/93/442401593.db2.gz ADNYLPMDNAAXLT-CYBMUJFWSA-N 1 2 338.371 1.967 20 30 EDEDLO C#CCC[NH+]1CCN(CCCS(=O)(=O)c2cccc(C)c2)CC1 ZINC000155718358 442421883 /nfs/dbraw/zinc/42/18/83/442421883.db2.gz KOVUBRFCHJXPJD-UHFFFAOYSA-N 1 2 334.485 1.800 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000156177998 442453172 /nfs/dbraw/zinc/45/31/72/442453172.db2.gz BHCQXVQAJJAOSS-HNNXBMFYSA-N 1 2 336.395 1.524 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000186170170 442477531 /nfs/dbraw/zinc/47/75/31/442477531.db2.gz GWAGUCJSQOIZHY-ROUUACIJSA-N 1 2 347.459 1.166 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)NC3(C#N)CCCCC3)[C@@H]2C1 ZINC000158144755 442649184 /nfs/dbraw/zinc/64/91/84/442649184.db2.gz AZXQKOZLZJBLAJ-OAGGEKHMSA-N 1 2 335.448 1.597 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)[C@@H]2C1 ZINC000158144755 442649189 /nfs/dbraw/zinc/64/91/89/442649189.db2.gz AZXQKOZLZJBLAJ-OAGGEKHMSA-N 1 2 335.448 1.597 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)[nH]3)c[nH+]2)CCO1 ZINC000158167237 442651758 /nfs/dbraw/zinc/65/17/58/442651758.db2.gz PURBQGVNEYPISC-GFCCVEGCSA-N 1 2 325.372 1.436 20 30 EDEDLO C=C(Br)C[N@@H+](CCC)[C@@H](CC(=O)NCCC)C(N)=O ZINC000180601918 442632158 /nfs/dbraw/zinc/63/21/58/442632158.db2.gz MIMBUJYDPRQSAS-NSHDSACASA-N 1 2 334.258 1.377 20 30 EDEDLO C=C(Br)C[N@H+](CCC)[C@@H](CC(=O)NCCC)C(N)=O ZINC000180601918 442632160 /nfs/dbraw/zinc/63/21/60/442632160.db2.gz MIMBUJYDPRQSAS-NSHDSACASA-N 1 2 334.258 1.377 20 30 EDEDLO CC[C@@]1(CO)CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000187594841 442682201 /nfs/dbraw/zinc/68/22/01/442682201.db2.gz QCGJUCRXKOKNES-QGZVFWFLSA-N 1 2 336.457 1.816 20 30 EDEDLO CC[C@@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000187594841 442682202 /nfs/dbraw/zinc/68/22/02/442682202.db2.gz QCGJUCRXKOKNES-QGZVFWFLSA-N 1 2 336.457 1.816 20 30 EDEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc(C#N)c(O)c2)C[C@@H](C)O1 ZINC000188370304 442743925 /nfs/dbraw/zinc/74/39/25/442743925.db2.gz SKGJBWZMDNXHOW-CPUCHLNUSA-N 1 2 343.427 1.978 20 30 EDEDLO Cc1cccc([C@H](CNC(=O)NC[C@@H](C)C#N)[NH+]2CCOCC2)c1 ZINC000182522273 442780721 /nfs/dbraw/zinc/78/07/21/442780721.db2.gz WXUQBRGFDXGQFY-RDJZCZTQSA-N 1 2 330.432 1.827 20 30 EDEDLO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188883293 442835407 /nfs/dbraw/zinc/83/54/07/442835407.db2.gz PLYGFTOIWPGZEG-UHFFFAOYSA-N 1 2 330.432 1.410 20 30 EDEDLO C[NH+]1CCN(CCC(C)(C)NC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188883293 442835410 /nfs/dbraw/zinc/83/54/10/442835410.db2.gz PLYGFTOIWPGZEG-UHFFFAOYSA-N 1 2 330.432 1.410 20 30 EDEDLO Cc1nc(N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000183809816 442966915 /nfs/dbraw/zinc/96/69/15/442966915.db2.gz VLGMKUMSPULPAI-UHFFFAOYSA-N 1 2 336.399 1.417 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)c(C#N)c1C ZINC000185098395 443135725 /nfs/dbraw/zinc/13/57/25/443135725.db2.gz MGEMKJUAVTUSHZ-FPVGNUTFSA-N 1 2 327.475 1.874 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)c(C#N)c1C ZINC000185098395 443135729 /nfs/dbraw/zinc/13/57/29/443135729.db2.gz MGEMKJUAVTUSHZ-FPVGNUTFSA-N 1 2 327.475 1.874 20 30 EDEDLO C=CCN(CCOC)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000190600390 443146342 /nfs/dbraw/zinc/14/63/42/443146342.db2.gz LIVUUHUKRAGZRE-SFHVURJKSA-N 1 2 347.459 1.904 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000185450305 443202023 /nfs/dbraw/zinc/20/20/23/443202023.db2.gz LSIRPUQAZBOERN-UHFFFAOYSA-N 1 2 346.412 1.506 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cccs2)CC1 ZINC000264190388 443255307 /nfs/dbraw/zinc/25/53/07/443255307.db2.gz QFTAXOHHBYNHMP-VOTSOKGWSA-N 1 2 331.441 1.045 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cccs2)CC1 ZINC000264190388 443255311 /nfs/dbraw/zinc/25/53/11/443255311.db2.gz QFTAXOHHBYNHMP-VOTSOKGWSA-N 1 2 331.441 1.045 20 30 EDEDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccnc(C#N)c2)c1 ZINC000610992856 450400750 /nfs/dbraw/zinc/40/07/50/450400750.db2.gz OIOIJZPMTAZUOP-UHFFFAOYSA-N 1 2 327.384 1.965 20 30 EDEDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccnc(C#N)c2)c1 ZINC000610992856 450400756 /nfs/dbraw/zinc/40/07/56/450400756.db2.gz OIOIJZPMTAZUOP-UHFFFAOYSA-N 1 2 327.384 1.965 20 30 EDEDLO COc1ccc(CC(N)=[NH+]OCc2nnnn2CC(F)(F)F)cc1 ZINC000191481918 443300770 /nfs/dbraw/zinc/30/07/70/443300770.db2.gz GFICWXQFCIJIGN-UHFFFAOYSA-N 1 2 344.297 1.276 20 30 EDEDLO CNS(=O)(=O)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000269493563 443325697 /nfs/dbraw/zinc/32/56/97/443325697.db2.gz UIBXGZDZKOWVJW-UHFFFAOYSA-N 1 2 326.849 1.705 20 30 EDEDLO NC(=[NH+]OCc1nnnn1CC(F)(F)F)c1cccc(Cl)c1 ZINC000191462712 443297462 /nfs/dbraw/zinc/29/74/62/443297462.db2.gz XOJWKDIFJAPCPI-UHFFFAOYSA-N 1 2 334.689 1.726 20 30 EDEDLO C[C@H]([NH2+]Cc1nnnn1CC1CCOCC1)c1ccc(C#N)cc1 ZINC000278543410 443358783 /nfs/dbraw/zinc/35/87/83/443358783.db2.gz AJFRWNTXVAYPKJ-ZDUSSCGKSA-N 1 2 326.404 1.822 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267315136 443415495 /nfs/dbraw/zinc/41/54/95/443415495.db2.gz DVAFQOTUGKJURI-CQSZACIVSA-N 1 2 337.383 1.935 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1C ZINC000270816998 443482423 /nfs/dbraw/zinc/48/24/23/443482423.db2.gz YNASUDYMPGDRPN-HNNXBMFYSA-N 1 2 343.431 1.293 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)cc1C ZINC000270816998 443482427 /nfs/dbraw/zinc/48/24/27/443482427.db2.gz YNASUDYMPGDRPN-HNNXBMFYSA-N 1 2 343.431 1.293 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000275511636 443629630 /nfs/dbraw/zinc/62/96/30/443629630.db2.gz BRRSTYULABWIME-ZIAGYGMSSA-N 1 2 333.436 1.073 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000275511636 443629634 /nfs/dbraw/zinc/62/96/34/443629634.db2.gz BRRSTYULABWIME-ZIAGYGMSSA-N 1 2 333.436 1.073 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000279874838 443633443 /nfs/dbraw/zinc/63/34/43/443633443.db2.gz CIGRAPOLMZAUGQ-QGZVFWFLSA-N 1 2 333.457 1.111 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C)CC1 ZINC000283305170 443596552 /nfs/dbraw/zinc/59/65/52/443596552.db2.gz XQNNIPWXYLBMQO-UHFFFAOYSA-N 1 2 339.443 1.766 20 30 EDEDLO C[C@@H](NC(=O)C(=O)NCCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000283352399 443609930 /nfs/dbraw/zinc/60/99/30/443609930.db2.gz UASSRYYLDNYNLN-CYBMUJFWSA-N 1 2 325.372 1.138 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000279584944 443610355 /nfs/dbraw/zinc/61/03/55/443610355.db2.gz UTCYCGUQIULIST-GJZGRUSLSA-N 1 2 330.432 1.981 20 30 EDEDLO CN1CCOc2ccc(NC(=O)N3CCC(C#N)([NH+](C)C)CC3)cc21 ZINC000274878911 443613658 /nfs/dbraw/zinc/61/36/58/443613658.db2.gz ZDYCRKIRUXHSQE-UHFFFAOYSA-N 1 2 343.431 1.967 20 30 EDEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000280349472 443699815 /nfs/dbraw/zinc/69/98/15/443699815.db2.gz WNTCPCOWRSZSMF-UHFFFAOYSA-N 1 2 325.821 1.752 20 30 EDEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000280349472 443699817 /nfs/dbraw/zinc/69/98/17/443699817.db2.gz WNTCPCOWRSZSMF-UHFFFAOYSA-N 1 2 325.821 1.752 20 30 EDEDLO Cc1cc(C#N)nc(NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000286598728 443718034 /nfs/dbraw/zinc/71/80/34/443718034.db2.gz IFNXGKSGYCQTPX-JSGCOSHPSA-N 1 2 329.383 1.415 20 30 EDEDLO CC(C)C(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000298201579 443718656 /nfs/dbraw/zinc/71/86/56/443718656.db2.gz KRJDFWOTBGVYAT-INIZCTEOSA-N 1 2 331.416 1.098 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000286618697 443718776 /nfs/dbraw/zinc/71/87/76/443718776.db2.gz HVSWTQNIKFROFJ-ZWKOTPCHSA-N 1 2 328.460 1.166 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000286618697 443718778 /nfs/dbraw/zinc/71/87/78/443718778.db2.gz HVSWTQNIKFROFJ-ZWKOTPCHSA-N 1 2 328.460 1.166 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000286618684 443718813 /nfs/dbraw/zinc/71/88/13/443718813.db2.gz HVSWTQNIKFROFJ-MSOLQXFVSA-N 1 2 328.460 1.166 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000286618684 443718816 /nfs/dbraw/zinc/71/88/16/443718816.db2.gz HVSWTQNIKFROFJ-MSOLQXFVSA-N 1 2 328.460 1.166 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C(=O)OC)c(C)n2C)n1 ZINC000291056749 443742890 /nfs/dbraw/zinc/74/28/90/443742890.db2.gz OHUOUBCZGNKTAL-UHFFFAOYSA-N 1 2 328.416 1.972 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(C(=O)OC)c(C)n2C)n1 ZINC000291056749 443742894 /nfs/dbraw/zinc/74/28/94/443742894.db2.gz OHUOUBCZGNKTAL-UHFFFAOYSA-N 1 2 328.416 1.972 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283855237 443743618 /nfs/dbraw/zinc/74/36/18/443743618.db2.gz KMDRCTDQHYILSN-AWEZNQCLSA-N 1 2 342.399 1.269 20 30 EDEDLO C[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000280770541 443744109 /nfs/dbraw/zinc/74/41/09/443744109.db2.gz JMSVZKZCIKBCGE-WMLDXEAASA-N 1 2 326.400 1.077 20 30 EDEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000283873354 443751053 /nfs/dbraw/zinc/75/10/53/443751053.db2.gz LAEUTMLIGCBLBY-INIZCTEOSA-N 1 2 340.427 1.645 20 30 EDEDLO Cn1nc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)nc1N ZINC000283886162 443755669 /nfs/dbraw/zinc/75/56/69/443755669.db2.gz FDOJLYKAOSDVPA-AWEZNQCLSA-N 1 2 339.403 1.435 20 30 EDEDLO Cn1nc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)nc1N ZINC000283886162 443755671 /nfs/dbraw/zinc/75/56/71/443755671.db2.gz FDOJLYKAOSDVPA-AWEZNQCLSA-N 1 2 339.403 1.435 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)NCc2noc3c2CCCC3)CC1 ZINC000287947347 443760957 /nfs/dbraw/zinc/76/09/57/443760957.db2.gz HBLSXFUQFGHYHE-UHFFFAOYSA-N 1 2 331.420 1.683 20 30 EDEDLO CC(C)Oc1ccc(CCNC(=O)CO[NH+]=C(N)[C@H]2CCCO2)cc1 ZINC000284089319 443764444 /nfs/dbraw/zinc/76/44/44/443764444.db2.gz KVDVREIZEUYBQM-MRXNPFEDSA-N 1 2 349.431 1.600 20 30 EDEDLO CS(=O)(=O)C[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000292067557 443775527 /nfs/dbraw/zinc/77/55/27/443775527.db2.gz BHFFYADQSRAVRI-HOCLYGCPSA-N 1 2 347.440 1.030 20 30 EDEDLO CS(=O)(=O)C[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000292067557 443775530 /nfs/dbraw/zinc/77/55/30/443775530.db2.gz BHFFYADQSRAVRI-HOCLYGCPSA-N 1 2 347.440 1.030 20 30 EDEDLO NC(=[NH+]OCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000284499664 443777887 /nfs/dbraw/zinc/77/78/87/443777887.db2.gz SSQUHVHNNSGXFH-NSHDSACASA-N 1 2 342.193 1.855 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292172257 443780463 /nfs/dbraw/zinc/78/04/63/443780463.db2.gz LYSPKAVVSDTXNR-AAEUAGOBSA-N 1 2 329.360 1.697 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292172257 443780467 /nfs/dbraw/zinc/78/04/67/443780467.db2.gz LYSPKAVVSDTXNR-AAEUAGOBSA-N 1 2 329.360 1.697 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2nc(C)c(C)s2)C1=O ZINC000281399155 443900073 /nfs/dbraw/zinc/90/00/73/443900073.db2.gz QHLRJNZBVPLQTO-AAEUAGOBSA-N 1 2 336.461 1.806 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2nc(C)c(C)s2)C1=O ZINC000281399155 443900077 /nfs/dbraw/zinc/90/00/77/443900077.db2.gz QHLRJNZBVPLQTO-AAEUAGOBSA-N 1 2 336.461 1.806 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCCc2ccccc2C)C1=O ZINC000281241508 443856866 /nfs/dbraw/zinc/85/68/66/443856866.db2.gz GEFOLSJGMHUBPD-FUHWJXTLSA-N 1 2 343.471 1.761 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCCc2ccccc2C)C1=O ZINC000281241508 443856867 /nfs/dbraw/zinc/85/68/67/443856867.db2.gz GEFOLSJGMHUBPD-FUHWJXTLSA-N 1 2 343.471 1.761 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)C1=O ZINC000292877484 443867176 /nfs/dbraw/zinc/86/71/76/443867176.db2.gz DSGIZQOQCHLVQT-SJORKVTESA-N 1 2 327.428 1.207 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)C1=O ZINC000292877484 443867178 /nfs/dbraw/zinc/86/71/78/443867178.db2.gz DSGIZQOQCHLVQT-SJORKVTESA-N 1 2 327.428 1.207 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H](C)C1 ZINC000285389027 443966534 /nfs/dbraw/zinc/96/65/34/443966534.db2.gz SFTVISKMQWCJLF-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H](C)C1 ZINC000285389027 443966541 /nfs/dbraw/zinc/96/65/41/443966541.db2.gz SFTVISKMQWCJLF-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)n1 ZINC000546904131 320820027 /nfs/dbraw/zinc/82/00/27/320820027.db2.gz UEMWYVWXJCTCED-CQSZACIVSA-N 1 2 336.399 1.061 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C1Cc2ccccc2C1 ZINC000277304932 443958450 /nfs/dbraw/zinc/95/84/50/443958450.db2.gz VRHQXFZRZMRWDT-UHFFFAOYSA-N 1 2 327.428 1.476 20 30 EDEDLO C=CCNC(=O)CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281946770 444045893 /nfs/dbraw/zinc/04/58/93/444045893.db2.gz PQYOZUIYRRRTGX-AWEZNQCLSA-N 1 2 345.447 1.411 20 30 EDEDLO C=CCN(C)C(=O)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000288897054 444008161 /nfs/dbraw/zinc/00/81/61/444008161.db2.gz UHEQQCSKYVVMJA-UHFFFAOYSA-N 1 2 340.427 1.777 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)cc1 ZINC000285536195 444020894 /nfs/dbraw/zinc/02/08/94/444020894.db2.gz LGOGUBDOERGSKP-DJIMGWMZSA-N 1 2 331.416 1.322 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)cc1 ZINC000285536195 444020900 /nfs/dbraw/zinc/02/09/00/444020900.db2.gz LGOGUBDOERGSKP-DJIMGWMZSA-N 1 2 331.416 1.322 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(c3nc4ccccc4o3)CC2)C1=O ZINC000282055052 444073837 /nfs/dbraw/zinc/07/38/37/444073837.db2.gz RTIXXGUHEZJJSR-HNNXBMFYSA-N 1 2 326.400 1.737 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000562853257 321079932 /nfs/dbraw/zinc/07/99/32/321079932.db2.gz YPQUCDFDKVSRLB-MFKMUULPSA-N 1 2 346.456 1.598 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000562853257 321079933 /nfs/dbraw/zinc/07/99/33/321079933.db2.gz YPQUCDFDKVSRLB-MFKMUULPSA-N 1 2 346.456 1.598 20 30 EDEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000282135787 444095457 /nfs/dbraw/zinc/09/54/57/444095457.db2.gz BDAGLHSPCGJWKG-UHFFFAOYSA-N 1 2 346.479 1.332 20 30 EDEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3ccncc3C#N)CC2)CC1 ZINC000568461887 321291968 /nfs/dbraw/zinc/29/19/68/321291968.db2.gz RZKQOWOZLAXIQQ-UHFFFAOYSA-N 1 2 341.459 1.770 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)COc1ccccc1C#N ZINC000285785591 444107287 /nfs/dbraw/zinc/10/72/87/444107287.db2.gz LZGKIBYUDKLBKO-GOEBONIOSA-N 1 2 329.400 1.259 20 30 EDEDLO N#C[C@@]1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC12CCCC2 ZINC000294640596 444132751 /nfs/dbraw/zinc/13/27/51/444132751.db2.gz QMLJGWYNKJUZJB-GOSISDBHSA-N 1 2 343.431 1.628 20 30 EDEDLO COc1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1C#N ZINC000282292597 444139868 /nfs/dbraw/zinc/13/98/68/444139868.db2.gz LSYKXYYSMVLNSF-UHFFFAOYSA-N 1 2 328.416 1.615 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCc1c[nH+]cn1C ZINC000289936356 444221380 /nfs/dbraw/zinc/22/13/80/444221380.db2.gz CFBXEEJKQDIAJJ-UHFFFAOYSA-N 1 2 341.371 1.334 20 30 EDEDLO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290236202 444257441 /nfs/dbraw/zinc/25/74/41/444257441.db2.gz IXIUXYGCCNYHSX-HUUCEWRRSA-N 1 2 337.445 1.352 20 30 EDEDLO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290236202 444257443 /nfs/dbraw/zinc/25/74/43/444257443.db2.gz IXIUXYGCCNYHSX-HUUCEWRRSA-N 1 2 337.445 1.352 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000290419548 444278357 /nfs/dbraw/zinc/27/83/57/444278357.db2.gz QJWIIHXGXSXRTM-WMLDXEAASA-N 1 2 338.473 1.873 20 30 EDEDLO Cc1cc(NC(=O)N(C)C[C@H](O)CO)c[nH+]c1N1CCCC[C@@H]1C ZINC000330982531 444346176 /nfs/dbraw/zinc/34/61/76/444346176.db2.gz OGMSQCYPSMMUCH-ZFWWWQNUSA-N 1 2 336.436 1.599 20 30 EDEDLO COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000331021268 444361719 /nfs/dbraw/zinc/36/17/19/444361719.db2.gz PHEBQTMHOVKNJX-LJISPDSOSA-N 1 2 341.452 1.141 20 30 EDEDLO Cc1[nH+]ccn1CC[NH+]=C([O-])N1CCC(C(=O)N2CCCC2)CC1 ZINC000328826840 444366845 /nfs/dbraw/zinc/36/68/45/444366845.db2.gz SKCPRALIGXANHY-UHFFFAOYSA-N 1 2 333.436 1.440 20 30 EDEDLO CCN1CCN(C(=O)Nc2nc(C)c(C)o2)C[C@@H]1c1[nH+]ccn1C ZINC000328631240 444403243 /nfs/dbraw/zinc/40/32/43/444403243.db2.gz QQSRGZQEPAQRLY-CYBMUJFWSA-N 1 2 332.408 1.949 20 30 EDEDLO CCOCCS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000337826167 444426120 /nfs/dbraw/zinc/42/61/20/444426120.db2.gz XKEZTDNOZWWLTR-UHFFFAOYSA-N 1 2 337.445 1.042 20 30 EDEDLO CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000328936718 444411808 /nfs/dbraw/zinc/41/18/08/444411808.db2.gz JNUGKGBDRQQECB-RYUDHWBXSA-N 1 2 340.449 1.285 20 30 EDEDLO CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000328936718 444411809 /nfs/dbraw/zinc/41/18/09/444411809.db2.gz JNUGKGBDRQQECB-RYUDHWBXSA-N 1 2 340.449 1.285 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+][C@H]1CCc3nc(C)nn3C1)CCC2 ZINC000328651919 444415383 /nfs/dbraw/zinc/41/53/83/444415383.db2.gz KCUCXJKDBAUAIZ-KBPBESRZSA-N 1 2 343.435 1.487 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N[C@H]1CCc3nc(C)nn3C1)CCC2 ZINC000328651919 444415386 /nfs/dbraw/zinc/41/53/86/444415386.db2.gz KCUCXJKDBAUAIZ-KBPBESRZSA-N 1 2 343.435 1.487 20 30 EDEDLO O=C(C[NH+]1CCN(Cc2nnnn2C2CC2)CC1)NC1CCCCC1 ZINC000328949080 444417917 /nfs/dbraw/zinc/41/79/17/444417917.db2.gz KTRNUEHSNVGGDR-UHFFFAOYSA-N 1 2 347.467 1.415 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H](O)C1CCOCC1)CCC2 ZINC000328660135 444419306 /nfs/dbraw/zinc/41/93/06/444419306.db2.gz UWPFBLQOWSRTEQ-GJZGRUSLSA-N 1 2 336.436 1.360 20 30 EDEDLO CSc1c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cnn1C ZINC000331078394 444385049 /nfs/dbraw/zinc/38/50/49/444385049.db2.gz MSKRNMUANQHCNQ-CYBMUJFWSA-N 1 2 326.466 1.803 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCC34CCOCC4)C[C@@H]21 ZINC000328887996 444388974 /nfs/dbraw/zinc/38/89/74/444388974.db2.gz PWIYTAKMWZQGTD-ARFHVFGLSA-N 1 2 337.464 1.655 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCC34CCOCC4)C[C@@H]21 ZINC000328887996 444388975 /nfs/dbraw/zinc/38/89/75/444388975.db2.gz PWIYTAKMWZQGTD-ARFHVFGLSA-N 1 2 337.464 1.655 20 30 EDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCOC2(CCOCC2)C1 ZINC000328597879 444389431 /nfs/dbraw/zinc/38/94/31/444389431.db2.gz ARHZRSTYCROQMV-AWEZNQCLSA-N 1 2 334.420 1.556 20 30 EDEDLO CC(C)C(=O)N1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000328602453 444390307 /nfs/dbraw/zinc/39/03/07/444390307.db2.gz GXUMILARFBHNMY-AWEZNQCLSA-N 1 2 333.436 1.475 20 30 EDEDLO Cc1nc2n(n1)C[C@H]([NH+]=C([O-])NC[C@H]1CCCn3cc[nH+]c31)CC2 ZINC000328612188 444393273 /nfs/dbraw/zinc/39/32/73/444393273.db2.gz PDCHWUQOCQBWRT-CHWSQXEVSA-N 1 2 329.408 1.179 20 30 EDEDLO Cc1nc2n(n1)C[C@H](NC([O-])=[NH+]C[C@H]1CCCn3cc[nH+]c31)CC2 ZINC000328612188 444393277 /nfs/dbraw/zinc/39/32/77/444393277.db2.gz PDCHWUQOCQBWRT-CHWSQXEVSA-N 1 2 329.408 1.179 20 30 EDEDLO CN1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328617804 444395977 /nfs/dbraw/zinc/39/59/77/444395977.db2.gz DBGSKJZLDYWFRK-CYBMUJFWSA-N 1 2 349.391 1.098 20 30 EDEDLO Cc1noc([C@@H]2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)C2)n1 ZINC000329107027 444473635 /nfs/dbraw/zinc/47/36/35/444473635.db2.gz FEPZJRANDGOYBK-CYBMUJFWSA-N 1 2 337.424 1.192 20 30 EDEDLO Cc1noc([C@@H]2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)C2)n1 ZINC000329107027 444473637 /nfs/dbraw/zinc/47/36/37/444473637.db2.gz FEPZJRANDGOYBK-CYBMUJFWSA-N 1 2 337.424 1.192 20 30 EDEDLO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NCc1[nH+]ccn1C ZINC000329108135 444474081 /nfs/dbraw/zinc/47/40/81/444474081.db2.gz FEYOLALQDPIOJS-ZDUSSCGKSA-N 1 2 332.408 1.258 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000329005763 444442680 /nfs/dbraw/zinc/44/26/80/444442680.db2.gz YSRPHOAFOIAMSA-ZACQAIPSSA-N 1 2 329.400 1.359 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000329005763 444442683 /nfs/dbraw/zinc/44/26/83/444442683.db2.gz YSRPHOAFOIAMSA-ZACQAIPSSA-N 1 2 329.400 1.359 20 30 EDEDLO C[C@@H]1CN(C(=O)[C@@H](C#N)CCc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000331696169 444482684 /nfs/dbraw/zinc/48/26/84/444482684.db2.gz USXOHGCXISQKNW-QRQLOZEOSA-N 1 2 341.455 1.938 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000329182554 444493834 /nfs/dbraw/zinc/49/38/34/444493834.db2.gz FFVSKUWQRYWRTB-PVAVHDDUSA-N 1 2 345.443 1.699 20 30 EDEDLO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)Cn1cnc(C#N)n1)CCCC2 ZINC000329189004 444495829 /nfs/dbraw/zinc/49/58/29/444495829.db2.gz PNSLUTBHBLIJPG-AWEZNQCLSA-N 1 2 339.403 1.126 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)NCC#Cc1cccc(F)c1)[NH+]1CCOCC1 ZINC000338046424 444498312 /nfs/dbraw/zinc/49/83/12/444498312.db2.gz WSLLZGAIMZMXCF-LSDHHAIUSA-N 1 2 333.407 1.586 20 30 EDEDLO C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000332305334 444509491 /nfs/dbraw/zinc/50/94/91/444509491.db2.gz WEOREKMBOURIRC-OAGGEKHMSA-N 1 2 346.475 1.612 20 30 EDEDLO C[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C[C@@H](C)C1 ZINC000332310932 444509622 /nfs/dbraw/zinc/50/96/22/444509622.db2.gz MTSZTZSBTMMJPL-CABCVRRESA-N 1 2 334.464 1.327 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(SCC#N)c3)C[C@@H]21 ZINC000332522638 444518322 /nfs/dbraw/zinc/51/83/22/444518322.db2.gz MYLKROGWQFPFNV-HOTGVXAUSA-N 1 2 331.441 1.847 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(SCC#N)c3)C[C@@H]21 ZINC000332522638 444518323 /nfs/dbraw/zinc/51/83/23/444518323.db2.gz MYLKROGWQFPFNV-HOTGVXAUSA-N 1 2 331.441 1.847 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342185870 444554250 /nfs/dbraw/zinc/55/42/50/444554250.db2.gz UAJVTNIJXSAVRJ-LBPRGKRZSA-N 1 2 330.344 1.695 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000343744075 444560555 /nfs/dbraw/zinc/56/05/55/444560555.db2.gz LDRXTIVJACQWTK-BZNIZROVSA-N 1 2 334.424 1.133 20 30 EDEDLO CC(C)(CNC(=O)N1CCC[C@H]1C1CCOCC1)[NH+]1CCOCC1 ZINC000329412333 444569585 /nfs/dbraw/zinc/56/95/85/444569585.db2.gz CGKWQJPWYUJJLC-INIZCTEOSA-N 1 2 339.480 1.902 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342257368 444593281 /nfs/dbraw/zinc/59/32/81/444593281.db2.gz XQBAKMSBCSYDOX-CABCVRRESA-N 1 2 331.416 1.582 20 30 EDEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)C1 ZINC000329499841 444605429 /nfs/dbraw/zinc/60/54/29/444605429.db2.gz YDHAQNIGNZLJDR-HUUCEWRRSA-N 1 2 348.451 1.260 20 30 EDEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)C1 ZINC000329499841 444605430 /nfs/dbraw/zinc/60/54/30/444605430.db2.gz YDHAQNIGNZLJDR-HUUCEWRRSA-N 1 2 348.451 1.260 20 30 EDEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)C1 ZINC000329499841 444605432 /nfs/dbraw/zinc/60/54/32/444605432.db2.gz YDHAQNIGNZLJDR-HUUCEWRRSA-N 1 2 348.451 1.260 20 30 EDEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)C1 ZINC000329499841 444605434 /nfs/dbraw/zinc/60/54/34/444605434.db2.gz YDHAQNIGNZLJDR-HUUCEWRRSA-N 1 2 348.451 1.260 20 30 EDEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)C1 ZINC000329499841 444605436 /nfs/dbraw/zinc/60/54/36/444605436.db2.gz YDHAQNIGNZLJDR-HUUCEWRRSA-N 1 2 348.451 1.260 20 30 EDEDLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)C1 ZINC000329499841 444605438 /nfs/dbraw/zinc/60/54/38/444605438.db2.gz YDHAQNIGNZLJDR-HUUCEWRRSA-N 1 2 348.451 1.260 20 30 EDEDLO N#CCC1(CS(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000333448411 444671926 /nfs/dbraw/zinc/67/19/26/444671926.db2.gz RCAALZTVJVORNZ-HNNXBMFYSA-N 1 2 341.477 1.054 20 30 EDEDLO N#Cc1cccc(OCC[N@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)c1 ZINC000343928872 444676086 /nfs/dbraw/zinc/67/60/86/444676086.db2.gz KPBPFROVZSTRGY-IBGZPJMESA-N 1 2 335.407 1.980 20 30 EDEDLO N#Cc1cccc(OCC[N@@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)c1 ZINC000343928872 444676088 /nfs/dbraw/zinc/67/60/88/444676088.db2.gz KPBPFROVZSTRGY-IBGZPJMESA-N 1 2 335.407 1.980 20 30 EDEDLO CC(C)C[NH+]1CCN(C(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 ZINC000329752247 444702442 /nfs/dbraw/zinc/70/24/42/444702442.db2.gz JKILCCVIYMNZNX-AWEZNQCLSA-N 1 2 331.482 1.141 20 30 EDEDLO CCN1CCN(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1=O ZINC000329783805 444715747 /nfs/dbraw/zinc/71/57/47/444715747.db2.gz OVGKSIXSHKALBF-CYBMUJFWSA-N 1 2 347.463 1.574 20 30 EDEDLO CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329823131 444730144 /nfs/dbraw/zinc/73/01/44/444730144.db2.gz HNXPTIBGSBHFEK-HIFRSBDPSA-N 1 2 345.447 1.793 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCSC3)CC2)cn1 ZINC000329699664 444685023 /nfs/dbraw/zinc/68/50/23/444685023.db2.gz GFYNNRKQJHURHU-AWEZNQCLSA-N 1 2 337.493 1.595 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329720069 444691240 /nfs/dbraw/zinc/69/12/40/444691240.db2.gz DLBPZYGEXIIHQK-UTJXIGIESA-N 1 2 348.447 1.697 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329720069 444691242 /nfs/dbraw/zinc/69/12/42/444691242.db2.gz DLBPZYGEXIIHQK-UTJXIGIESA-N 1 2 348.447 1.697 20 30 EDEDLO CC(C)(CNC(=O)N1CCC[C@]2(CNC(=O)C2)C1)[NH+]1CCOCC1 ZINC000329848832 444739407 /nfs/dbraw/zinc/73/94/07/444739407.db2.gz ZCEYZOAEQBXZBD-KRWDZBQOSA-N 1 2 338.452 1.454 20 30 EDEDLO COc1ccc(Cl)cc1NC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329952884 444784313 /nfs/dbraw/zinc/78/43/13/444784313.db2.gz JAUKFZBCZHKYMH-HIFRSBDPSA-N 1 2 339.823 1.951 20 30 EDEDLO COc1ccc(Cl)cc1NC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329952884 444784317 /nfs/dbraw/zinc/78/43/17/444784317.db2.gz JAUKFZBCZHKYMH-HIFRSBDPSA-N 1 2 339.823 1.951 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000329944757 444780132 /nfs/dbraw/zinc/78/01/32/444780132.db2.gz FJVBMOPJGWYEPY-MJEQTWJJSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000329944757 444780137 /nfs/dbraw/zinc/78/01/37/444780137.db2.gz FJVBMOPJGWYEPY-MJEQTWJJSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000329944757 444780142 /nfs/dbraw/zinc/78/01/42/444780142.db2.gz FJVBMOPJGWYEPY-MJEQTWJJSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000329944757 444780147 /nfs/dbraw/zinc/78/01/47/444780147.db2.gz FJVBMOPJGWYEPY-MJEQTWJJSA-N 1 2 349.431 1.695 20 30 EDEDLO COC1(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CCC(C)CC1 ZINC000330027722 444817362 /nfs/dbraw/zinc/81/73/62/444817362.db2.gz NLASMFRVLLUMOZ-GWUWNPHMSA-N 1 2 325.453 1.511 20 30 EDEDLO COC1(CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCC(C)CC1 ZINC000330027722 444817366 /nfs/dbraw/zinc/81/73/66/444817366.db2.gz NLASMFRVLLUMOZ-GWUWNPHMSA-N 1 2 325.453 1.511 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1cc[nH+]cc1O ZINC000336907352 444845538 /nfs/dbraw/zinc/84/55/38/444845538.db2.gz YSKXBWHYHBMZQX-UHFFFAOYSA-N 1 2 327.340 1.887 20 30 EDEDLO COCC1(C#N)CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000341501189 444863874 /nfs/dbraw/zinc/86/38/74/444863874.db2.gz QCZHKXASKDGNCT-CQSZACIVSA-N 1 2 331.420 1.722 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000341539983 444882739 /nfs/dbraw/zinc/88/27/39/444882739.db2.gz XCTPRRPDWHJQGG-PMPSAXMXSA-N 1 2 337.443 1.986 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000341539983 444882744 /nfs/dbraw/zinc/88/27/44/444882744.db2.gz XCTPRRPDWHJQGG-PMPSAXMXSA-N 1 2 337.443 1.986 20 30 EDEDLO N#Cc1cccc(-n2ccc(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)n2)c1 ZINC000336984380 444887851 /nfs/dbraw/zinc/88/78/51/444887851.db2.gz CIGFNHYZBHPYLO-CQSZACIVSA-N 1 2 332.367 1.685 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCO[C@H](CO)C1)C2 ZINC000330225062 444894802 /nfs/dbraw/zinc/89/48/02/444894802.db2.gz AXSCEMXNASBQLS-STQMWFEESA-N 1 2 336.436 1.103 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330413027 444971405 /nfs/dbraw/zinc/97/14/05/444971405.db2.gz MDCMEMCIJYURGV-RKVPGOIHSA-N 1 2 336.480 1.666 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000330413027 444971408 /nfs/dbraw/zinc/97/14/08/444971408.db2.gz MDCMEMCIJYURGV-RKVPGOIHSA-N 1 2 336.480 1.666 20 30 EDEDLO CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330323995 444937630 /nfs/dbraw/zinc/93/76/30/444937630.db2.gz TYMYPUJIJMMDII-QWHCGFSZSA-N 1 2 340.449 1.216 20 30 EDEDLO COc1ccc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1OC ZINC000330326761 444938425 /nfs/dbraw/zinc/93/84/25/444938425.db2.gz KHPPSIOUXMYHBI-CJNGLKHVSA-N 1 2 335.404 1.307 20 30 EDEDLO COc1ccc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1OC ZINC000330326761 444938430 /nfs/dbraw/zinc/93/84/30/444938430.db2.gz KHPPSIOUXMYHBI-CJNGLKHVSA-N 1 2 335.404 1.307 20 30 EDEDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1OC ZINC000330326761 444938434 /nfs/dbraw/zinc/93/84/34/444938434.db2.gz KHPPSIOUXMYHBI-CJNGLKHVSA-N 1 2 335.404 1.307 20 30 EDEDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1OC ZINC000330326761 444938439 /nfs/dbraw/zinc/93/84/39/444938439.db2.gz KHPPSIOUXMYHBI-CJNGLKHVSA-N 1 2 335.404 1.307 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000330541706 445026017 /nfs/dbraw/zinc/02/60/17/445026017.db2.gz YGHIVVPLQABSHR-RYUDHWBXSA-N 1 2 337.424 1.811 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000330541706 445026022 /nfs/dbraw/zinc/02/60/22/445026022.db2.gz YGHIVVPLQABSHR-RYUDHWBXSA-N 1 2 337.424 1.811 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000337218332 444990003 /nfs/dbraw/zinc/99/00/03/444990003.db2.gz IZLDAZGETBMCAZ-OAHLLOKOSA-N 1 2 346.818 1.869 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O ZINC000337218332 444990006 /nfs/dbraw/zinc/99/00/06/444990006.db2.gz IZLDAZGETBMCAZ-OAHLLOKOSA-N 1 2 346.818 1.869 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CC2)C1=O ZINC000337223055 444993195 /nfs/dbraw/zinc/99/31/95/444993195.db2.gz MINVRXFIKAPDGK-QGZVFWFLSA-N 1 2 341.455 1.553 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CC2)C1=O ZINC000337223055 444993200 /nfs/dbraw/zinc/99/32/00/444993200.db2.gz MINVRXFIKAPDGK-QGZVFWFLSA-N 1 2 341.455 1.553 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000330477366 444997578 /nfs/dbraw/zinc/99/75/78/444997578.db2.gz MDNQPYLMTYTVKQ-CQSZACIVSA-N 1 2 341.452 1.286 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000330477365 444997626 /nfs/dbraw/zinc/99/76/26/444997626.db2.gz MDNQPYLMTYTVKQ-AWEZNQCLSA-N 1 2 341.452 1.286 20 30 EDEDLO COCC[NH+]1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000341801562 445008177 /nfs/dbraw/zinc/00/81/77/445008177.db2.gz WTVCGELUTOGKHY-SFHVURJKSA-N 1 2 345.443 1.752 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000330650485 445079497 /nfs/dbraw/zinc/07/94/97/445079497.db2.gz PGLGDXJWZWZNPM-LSDHHAIUSA-N 1 2 331.416 1.439 20 30 EDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000339766625 445169365 /nfs/dbraw/zinc/16/93/65/445169365.db2.gz SRXZVHSBHZYXRF-UHFFFAOYSA-N 1 2 327.428 1.494 20 30 EDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000339766625 445169369 /nfs/dbraw/zinc/16/93/69/445169369.db2.gz SRXZVHSBHZYXRF-UHFFFAOYSA-N 1 2 327.428 1.494 20 30 EDEDLO C[C@H](C[S@@](C)=O)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000330866155 445172668 /nfs/dbraw/zinc/17/26/68/445172668.db2.gz ZLYDLKXDUKOXTP-XUSGNXJCSA-N 1 2 329.491 1.547 20 30 EDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000330876895 445177319 /nfs/dbraw/zinc/17/73/19/445177319.db2.gz GDROCBWZZHPAFQ-JTQLQIEISA-N 1 2 347.341 1.412 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000330976418 445204579 /nfs/dbraw/zinc/20/45/79/445204579.db2.gz IAEHMQSNVZIBFQ-ZDUSSCGKSA-N 1 2 339.461 1.310 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000330976418 445204581 /nfs/dbraw/zinc/20/45/81/445204581.db2.gz IAEHMQSNVZIBFQ-ZDUSSCGKSA-N 1 2 339.461 1.310 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC#Cc1cccc(F)c1 ZINC000346532217 445217804 /nfs/dbraw/zinc/21/78/04/445217804.db2.gz WNLLEOZAGNZDBQ-MAUKXSAKSA-N 1 2 345.418 1.682 20 30 EDEDLO Cc1ccn2ncc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)c2c1 ZINC000347177556 445233546 /nfs/dbraw/zinc/23/35/46/445233546.db2.gz FIEVHKYZIKMMNG-UHFFFAOYSA-N 1 2 341.415 1.331 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@H]1CC(=O)OC ZINC000347454405 445238709 /nfs/dbraw/zinc/23/87/09/445238709.db2.gz RMCKUKMMSIPCHR-SJORKVTESA-N 1 2 349.427 1.419 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@H]1CC(=O)OC ZINC000347454405 445238711 /nfs/dbraw/zinc/23/87/11/445238711.db2.gz RMCKUKMMSIPCHR-SJORKVTESA-N 1 2 349.427 1.419 20 30 EDEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000348222662 445320768 /nfs/dbraw/zinc/32/07/68/445320768.db2.gz FTRIIAVVBIGUIQ-ZDUSSCGKSA-N 1 2 345.490 1.085 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c(F)c1 ZINC000354763477 445373467 /nfs/dbraw/zinc/37/34/67/445373467.db2.gz BJATVJJFZUNWDF-SNVBAGLBSA-N 1 2 327.319 1.033 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c(F)c1 ZINC000354763477 445373469 /nfs/dbraw/zinc/37/34/69/445373469.db2.gz BJATVJJFZUNWDF-SNVBAGLBSA-N 1 2 327.319 1.033 20 30 EDEDLO N#CCC[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)CC1CC1 ZINC000348555805 445324776 /nfs/dbraw/zinc/32/47/76/445324776.db2.gz WFFGTSGATMWJFP-UHFFFAOYSA-N 1 2 344.415 1.190 20 30 EDEDLO N#CCC[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)CC1CC1 ZINC000348555805 445324778 /nfs/dbraw/zinc/32/47/78/445324778.db2.gz WFFGTSGATMWJFP-UHFFFAOYSA-N 1 2 344.415 1.190 20 30 EDEDLO COc1cc2c(cc1F)C[N@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000348792684 445384048 /nfs/dbraw/zinc/38/40/48/445384048.db2.gz LJSUICDWPXBVOQ-UHFFFAOYSA-N 1 2 344.390 1.848 20 30 EDEDLO COc1cc2c(cc1F)C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2 ZINC000348792684 445384051 /nfs/dbraw/zinc/38/40/51/445384051.db2.gz LJSUICDWPXBVOQ-UHFFFAOYSA-N 1 2 344.390 1.848 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000357836418 445586319 /nfs/dbraw/zinc/58/63/19/445586319.db2.gz BPIFURRADNOUMS-RHSMWYFYSA-N 1 2 349.479 1.409 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000357836418 445586321 /nfs/dbraw/zinc/58/63/21/445586321.db2.gz BPIFURRADNOUMS-RHSMWYFYSA-N 1 2 349.479 1.409 20 30 EDEDLO N#Cc1ccc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1F ZINC000353522340 445641232 /nfs/dbraw/zinc/64/12/32/445641232.db2.gz MUFMTUMACITXDE-UHFFFAOYSA-N 1 2 328.351 1.770 20 30 EDEDLO CC(C)(C#N)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000349593196 445620680 /nfs/dbraw/zinc/62/06/80/445620680.db2.gz YWQGNPFXZWIXSO-CYBMUJFWSA-N 1 2 336.461 1.970 20 30 EDEDLO Cc1cc(C(=O)NCC[NH+]2CCOCC2)nn1-c1cccc(C#N)c1 ZINC000356216869 445680668 /nfs/dbraw/zinc/68/06/68/445680668.db2.gz KLXBKDADCJEXJX-UHFFFAOYSA-N 1 2 339.399 1.114 20 30 EDEDLO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000360310651 445690009 /nfs/dbraw/zinc/69/00/09/445690009.db2.gz MCIYSLGKEJUMGC-MAUKXSAKSA-N 1 2 327.428 1.985 20 30 EDEDLO C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000360436910 445708434 /nfs/dbraw/zinc/70/84/34/445708434.db2.gz NMRGWDUVDZATTD-CRAIPNDOSA-N 1 2 345.447 1.418 20 30 EDEDLO CCOC(C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)OCC ZINC000363833821 445878571 /nfs/dbraw/zinc/87/85/71/445878571.db2.gz LFOOAZDCGNPCMM-SCLBCKFNSA-N 1 2 329.400 1.731 20 30 EDEDLO CCOC(C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)OCC ZINC000363833821 445878574 /nfs/dbraw/zinc/87/85/74/445878574.db2.gz LFOOAZDCGNPCMM-SCLBCKFNSA-N 1 2 329.400 1.731 20 30 EDEDLO Cc1cc(C(=O)N2CCn3cc[nH+]c3C2)nn1-c1cccc(C#N)c1 ZINC000356590181 445875696 /nfs/dbraw/zinc/87/56/96/445875696.db2.gz HTAQLLPUXMSLIG-UHFFFAOYSA-N 1 2 332.367 1.905 20 30 EDEDLO C[N@@H+](Cc1cn2c(n1)CCCC2)C[C@H](O)COc1ccc(C#N)cc1 ZINC000372989889 445963936 /nfs/dbraw/zinc/96/39/36/445963936.db2.gz NDXVFASMJXMTSW-KRWDZBQOSA-N 1 2 340.427 1.963 20 30 EDEDLO C[N@H+](Cc1cn2c(n1)CCCC2)C[C@H](O)COc1ccc(C#N)cc1 ZINC000372989889 445963945 /nfs/dbraw/zinc/96/39/45/445963945.db2.gz NDXVFASMJXMTSW-KRWDZBQOSA-N 1 2 340.427 1.963 20 30 EDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C[C@H](O)COc1ccc(C#N)cc1 ZINC000372989889 445963950 /nfs/dbraw/zinc/96/39/50/445963950.db2.gz NDXVFASMJXMTSW-KRWDZBQOSA-N 1 2 340.427 1.963 20 30 EDEDLO C=CCN(CCOC)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000356719665 445964808 /nfs/dbraw/zinc/96/48/08/445964808.db2.gz XNVHHUOYMKCJIQ-OAHLLOKOSA-N 1 2 336.436 1.732 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)C1=O ZINC000369190296 445979680 /nfs/dbraw/zinc/97/96/80/445979680.db2.gz XIDDQUGHVXIWOT-QGZVFWFLSA-N 1 2 345.418 1.761 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccccc3F)CC2)C1=O ZINC000369190296 445979683 /nfs/dbraw/zinc/97/96/83/445979683.db2.gz XIDDQUGHVXIWOT-QGZVFWFLSA-N 1 2 345.418 1.761 20 30 EDEDLO N#CCCCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000354268601 446064705 /nfs/dbraw/zinc/06/47/05/446064705.db2.gz MZTAKUSOOOZSRH-MRXNPFEDSA-N 1 2 345.447 1.827 20 30 EDEDLO N#CCCCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000354268601 446064707 /nfs/dbraw/zinc/06/47/07/446064707.db2.gz MZTAKUSOOOZSRH-MRXNPFEDSA-N 1 2 345.447 1.827 20 30 EDEDLO N#CC1(F)CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000359345058 446164102 /nfs/dbraw/zinc/16/41/02/446164102.db2.gz DCPOSEOPMMHJIT-UHFFFAOYSA-N 1 2 331.395 1.058 20 30 EDEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000359484454 446251932 /nfs/dbraw/zinc/25/19/32/446251932.db2.gz QYXAEOMKEPMNRN-UHFFFAOYSA-N 1 2 346.412 1.726 20 30 EDEDLO C=CCCCC(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000365757737 446331268 /nfs/dbraw/zinc/33/12/68/446331268.db2.gz CEOUSMUEYKOTGR-HNNXBMFYSA-N 1 2 340.464 1.844 20 30 EDEDLO C=CCCCC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000365757737 446331273 /nfs/dbraw/zinc/33/12/73/446331273.db2.gz CEOUSMUEYKOTGR-HNNXBMFYSA-N 1 2 340.464 1.844 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000373797364 446334637 /nfs/dbraw/zinc/33/46/37/446334637.db2.gz OEUBMTAYAULKHA-APWZRJJASA-N 1 2 349.475 1.941 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000373797364 446334643 /nfs/dbraw/zinc/33/46/43/446334643.db2.gz OEUBMTAYAULKHA-APWZRJJASA-N 1 2 349.475 1.941 20 30 EDEDLO C[C@H]1COCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000374356571 446365858 /nfs/dbraw/zinc/36/58/58/446365858.db2.gz HMHCKKQREYZVDL-CQSZACIVSA-N 1 2 339.399 1.651 20 30 EDEDLO C[C@H]1COCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000374356571 446365861 /nfs/dbraw/zinc/36/58/61/446365861.db2.gz HMHCKKQREYZVDL-CQSZACIVSA-N 1 2 339.399 1.651 20 30 EDEDLO Cc1cc(NC(=O)NCc2ccc(N)[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000374717627 446387925 /nfs/dbraw/zinc/38/79/25/446387925.db2.gz KFVJHZFDZNEWMX-UHFFFAOYSA-N 1 2 347.382 1.773 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000370695969 446391249 /nfs/dbraw/zinc/39/12/49/446391249.db2.gz AKRWMHBTYJSWLV-CRAIPNDOSA-N 1 2 335.448 1.599 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000370695969 446391257 /nfs/dbraw/zinc/39/12/57/446391257.db2.gz AKRWMHBTYJSWLV-CRAIPNDOSA-N 1 2 335.448 1.599 20 30 EDEDLO N#Cc1ccc(NC2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)nc1 ZINC000374897769 446443604 /nfs/dbraw/zinc/44/36/04/446443604.db2.gz PWMFUHSLGUXGON-UHFFFAOYSA-N 1 2 346.394 2.318 20 30 EDEDLO COC(=O)CN(CC[NH+]1CCOCC1)CCC1(C#N)CCCCC1 ZINC000411270668 446457147 /nfs/dbraw/zinc/45/71/47/446457147.db2.gz DDAOBSMKIPMONH-UHFFFAOYSA-N 1 2 337.464 1.658 20 30 EDEDLO N#Cc1ccccc1OCC[NH+]1CCN(C2(C(N)=O)CCCC2)CC1 ZINC000370868140 446491632 /nfs/dbraw/zinc/49/16/32/446491632.db2.gz FBCIDFCUPXCQPK-UHFFFAOYSA-N 1 2 342.443 1.353 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000433101040 446533911 /nfs/dbraw/zinc/53/39/11/446533911.db2.gz ASZLVMCSHJYMDL-CQSZACIVSA-N 1 2 341.415 1.889 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000453635563 446576136 /nfs/dbraw/zinc/57/61/36/446576136.db2.gz LIQVCNMQLYEECP-UHFFFAOYSA-N 1 2 344.415 1.032 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000453635563 446576141 /nfs/dbraw/zinc/57/61/41/446576141.db2.gz LIQVCNMQLYEECP-UHFFFAOYSA-N 1 2 344.415 1.032 20 30 EDEDLO C#CCCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000367801390 446591346 /nfs/dbraw/zinc/59/13/46/446591346.db2.gz ARZLOLKPIVQRAV-OAHLLOKOSA-N 1 2 335.404 1.981 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000367848464 446599013 /nfs/dbraw/zinc/59/90/13/446599013.db2.gz LJQGDKHUSPJOQJ-RTBURBONSA-N 1 2 341.455 1.737 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCOc1ccc(C#N)cc1 ZINC000434408611 446642828 /nfs/dbraw/zinc/64/28/28/446642828.db2.gz KHRVISBNUJYJPS-OAHLLOKOSA-N 1 2 346.431 1.299 20 30 EDEDLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1cncc(C#N)n1 ZINC000420593425 446695438 /nfs/dbraw/zinc/69/54/38/446695438.db2.gz BVLMEVONMYVACT-AWEZNQCLSA-N 1 2 329.429 1.919 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368169366 446682590 /nfs/dbraw/zinc/68/25/90/446682590.db2.gz XZAHMZWWHZVBAP-HNNXBMFYSA-N 1 2 344.415 1.942 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368169366 446682593 /nfs/dbraw/zinc/68/25/93/446682593.db2.gz XZAHMZWWHZVBAP-HNNXBMFYSA-N 1 2 344.415 1.942 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C#N)cn1C)C1CCOCC1 ZINC000375269559 446683797 /nfs/dbraw/zinc/68/37/97/446683797.db2.gz ZVROPYHBANXMAE-OAHLLOKOSA-N 1 2 327.388 1.528 20 30 EDEDLO CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)S(=O)(=O)c1cccc(C#N)c1 ZINC000418880992 446769754 /nfs/dbraw/zinc/76/97/54/446769754.db2.gz WLTFWQNAEOIQJC-GASCZTMLSA-N 1 2 335.429 1.042 20 30 EDEDLO CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)S(=O)(=O)c1cccc(C#N)c1 ZINC000418880992 446769761 /nfs/dbraw/zinc/76/97/61/446769761.db2.gz WLTFWQNAEOIQJC-GASCZTMLSA-N 1 2 335.429 1.042 20 30 EDEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000440262040 446841860 /nfs/dbraw/zinc/84/18/60/446841860.db2.gz AQVYYYNNGWHUOL-CYBMUJFWSA-N 1 2 346.456 1.793 20 30 EDEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000440262040 446841867 /nfs/dbraw/zinc/84/18/67/446841867.db2.gz AQVYYYNNGWHUOL-CYBMUJFWSA-N 1 2 346.456 1.793 20 30 EDEDLO C=CCC1(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CCOCC1 ZINC000424646660 446918212 /nfs/dbraw/zinc/91/82/12/446918212.db2.gz JRJRNSMOVMWVQM-UHFFFAOYSA-N 1 2 332.448 1.437 20 30 EDEDLO Cc1cc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413181403 447052382 /nfs/dbraw/zinc/05/23/82/447052382.db2.gz QLVOHABPTYDMEJ-CXAGYDPISA-N 1 2 330.388 1.932 20 30 EDEDLO Cc1cc(NC(=O)C2CCN(c3cc(C)[nH+]cc3C#N)CC2)no1 ZINC000425208973 447063916 /nfs/dbraw/zinc/06/39/16/447063916.db2.gz ODENKPUDIVGXSW-UHFFFAOYSA-N 1 2 325.372 2.413 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000368677883 447028945 /nfs/dbraw/zinc/02/89/45/447028945.db2.gz LWIMGEFZVWKTMQ-UHFFFAOYSA-N 1 2 340.387 1.912 20 30 EDEDLO Cn1ccnc1C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000368677883 447028952 /nfs/dbraw/zinc/02/89/52/447028952.db2.gz LWIMGEFZVWKTMQ-UHFFFAOYSA-N 1 2 340.387 1.912 20 30 EDEDLO C#CCCCNC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000372539947 447122240 /nfs/dbraw/zinc/12/22/40/447122240.db2.gz UGCDUTAYKBPPTI-OAHLLOKOSA-N 1 2 333.436 1.787 20 30 EDEDLO C#CCCCNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000372539947 447122246 /nfs/dbraw/zinc/12/22/46/447122246.db2.gz UGCDUTAYKBPPTI-OAHLLOKOSA-N 1 2 333.436 1.787 20 30 EDEDLO Cc1ccnc(N2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c1C#N ZINC000375830372 447087859 /nfs/dbraw/zinc/08/78/59/447087859.db2.gz NWSZSAZMNZCCGO-CVEARBPZSA-N 1 2 329.448 1.103 20 30 EDEDLO Cc1ccnc(N2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1C#N ZINC000375830372 447087863 /nfs/dbraw/zinc/08/78/63/447087863.db2.gz NWSZSAZMNZCCGO-CVEARBPZSA-N 1 2 329.448 1.103 20 30 EDEDLO CCc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1 ZINC000377491499 447160874 /nfs/dbraw/zinc/16/08/74/447160874.db2.gz FANMRDIGKFYDNN-PXAZEXFGSA-N 1 2 331.420 1.620 20 30 EDEDLO CCc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)no1 ZINC000377491499 447160887 /nfs/dbraw/zinc/16/08/87/447160887.db2.gz FANMRDIGKFYDNN-PXAZEXFGSA-N 1 2 331.420 1.620 20 30 EDEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000419365995 447128551 /nfs/dbraw/zinc/12/85/51/447128551.db2.gz XXZXBDHSZZOYOR-OAHLLOKOSA-N 1 2 334.803 1.445 20 30 EDEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000419365995 447128557 /nfs/dbraw/zinc/12/85/57/447128557.db2.gz XXZXBDHSZZOYOR-OAHLLOKOSA-N 1 2 334.803 1.445 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)C(=O)C1 ZINC000376015702 447211476 /nfs/dbraw/zinc/21/14/76/447211476.db2.gz GMFGDHRZZVJIAK-UHFFFAOYSA-N 1 2 344.390 1.076 20 30 EDEDLO C[N@H+]1CCN(C2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)C(=O)C1 ZINC000376015702 447211481 /nfs/dbraw/zinc/21/14/81/447211481.db2.gz GMFGDHRZZVJIAK-UHFFFAOYSA-N 1 2 344.390 1.076 20 30 EDEDLO Cn1cc(C[N@@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)cc1C#N ZINC000377674848 447287944 /nfs/dbraw/zinc/28/79/44/447287944.db2.gz KGZFEJLHEQDJCD-INIZCTEOSA-N 1 2 349.394 1.581 20 30 EDEDLO Cn1cc(C[N@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)cc1C#N ZINC000377674848 447287951 /nfs/dbraw/zinc/28/79/51/447287951.db2.gz KGZFEJLHEQDJCD-INIZCTEOSA-N 1 2 349.394 1.581 20 30 EDEDLO COC(=O)c1cc(Cl)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414119312 447276359 /nfs/dbraw/zinc/27/63/59/447276359.db2.gz CUXFIMOKMQXINU-LBPRGKRZSA-N 1 2 326.780 1.712 20 30 EDEDLO COC(=O)c1cc(Cl)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414119312 447276360 /nfs/dbraw/zinc/27/63/60/447276360.db2.gz CUXFIMOKMQXINU-LBPRGKRZSA-N 1 2 326.780 1.712 20 30 EDEDLO CC1CC(C#N)(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000383054024 447465143 /nfs/dbraw/zinc/46/51/43/447465143.db2.gz LRPYAZHEKITVIN-RMXPPQQLSA-N 1 2 327.428 1.943 20 30 EDEDLO CC1CC(C#N)(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000383054024 447465146 /nfs/dbraw/zinc/46/51/46/447465146.db2.gz LRPYAZHEKITVIN-RMXPPQQLSA-N 1 2 327.428 1.943 20 30 EDEDLO C=C(CC)CNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000456814099 447465468 /nfs/dbraw/zinc/46/54/68/447465468.db2.gz STNVVISJOVQIOI-RHSMWYFYSA-N 1 2 330.432 1.945 20 30 EDEDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000495620350 447526653 /nfs/dbraw/zinc/52/66/53/447526653.db2.gz ZYSMHNJJJGDZQX-RHSMWYFYSA-N 1 2 336.436 1.348 20 30 EDEDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000495620350 447526659 /nfs/dbraw/zinc/52/66/59/447526659.db2.gz ZYSMHNJJJGDZQX-RHSMWYFYSA-N 1 2 336.436 1.348 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450539618 447519518 /nfs/dbraw/zinc/51/95/18/447519518.db2.gz LZBOKTJNQMZTAN-LBPRGKRZSA-N 1 2 332.360 1.763 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450539618 447519525 /nfs/dbraw/zinc/51/95/25/447519525.db2.gz LZBOKTJNQMZTAN-LBPRGKRZSA-N 1 2 332.360 1.763 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@]3(C#N)C[C@H]3C)c2)CC1 ZINC000450970082 447638041 /nfs/dbraw/zinc/63/80/41/447638041.db2.gz MVUNEMBIWLDYCA-AUUYWEPGSA-N 1 2 340.427 1.839 20 30 EDEDLO C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1=O ZINC000459351455 447643321 /nfs/dbraw/zinc/64/33/21/447643321.db2.gz GVGRUWYVOJJEDR-IMJJTQAJSA-N 1 2 326.400 1.698 20 30 EDEDLO C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1=O ZINC000459351455 447643326 /nfs/dbraw/zinc/64/33/26/447643326.db2.gz GVGRUWYVOJJEDR-IMJJTQAJSA-N 1 2 326.400 1.698 20 30 EDEDLO CC#CCN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000457664936 447613924 /nfs/dbraw/zinc/61/39/24/447613924.db2.gz SZGVCEATFZUTLX-HUUCEWRRSA-N 1 2 330.432 1.860 20 30 EDEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000459466554 447676479 /nfs/dbraw/zinc/67/64/79/447676479.db2.gz ONJMEDAFDBXXRD-ZWNOBZJWSA-N 1 2 329.339 1.022 20 30 EDEDLO CCCCN(C(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000459468027 447676803 /nfs/dbraw/zinc/67/68/03/447676803.db2.gz QLYJSMDNQNBUEN-RBSFLKMASA-N 1 2 341.477 1.084 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000496167813 447731678 /nfs/dbraw/zinc/73/16/78/447731678.db2.gz GUNIVKKZKIPOGD-CHWSQXEVSA-N 1 2 347.419 1.700 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@](O)(CO)C2)c2ccccc21 ZINC000459658020 447734546 /nfs/dbraw/zinc/73/45/46/447734546.db2.gz XZHXXYNRUZHEHY-LJQANCHMSA-N 1 2 341.411 1.557 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@](O)(CO)C2)c2ccccc21 ZINC000459658020 447734550 /nfs/dbraw/zinc/73/45/50/447734550.db2.gz XZHXXYNRUZHEHY-LJQANCHMSA-N 1 2 341.411 1.557 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000451645022 447742969 /nfs/dbraw/zinc/74/29/69/447742969.db2.gz XQWOWEXDNOKKEC-AWEZNQCLSA-N 1 2 331.416 1.898 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000451645022 447742970 /nfs/dbraw/zinc/74/29/70/447742970.db2.gz XQWOWEXDNOKKEC-AWEZNQCLSA-N 1 2 331.416 1.898 20 30 EDEDLO COC(=O)N(C)Cc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000496543099 447813949 /nfs/dbraw/zinc/81/39/49/447813949.db2.gz PTGCYNRRXWWZJF-INIZCTEOSA-N 1 2 334.420 1.503 20 30 EDEDLO COC(=O)N(C)Cc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000496543099 447813951 /nfs/dbraw/zinc/81/39/51/447813951.db2.gz PTGCYNRRXWWZJF-INIZCTEOSA-N 1 2 334.420 1.503 20 30 EDEDLO C=C(C)CN(C)c1nc(N2CCOCC2)nc(N(C)CC(=C)C)[nH+]1 ZINC000477030789 447821152 /nfs/dbraw/zinc/82/11/52/447821152.db2.gz DJGXVXQAWHFGHI-UHFFFAOYSA-N 1 2 332.452 1.733 20 30 EDEDLO C=C(C)CN(C)c1nc(N(C)CC(=C)C)[nH+]c(N2CCOCC2)n1 ZINC000477030789 447821154 /nfs/dbraw/zinc/82/11/54/447821154.db2.gz DJGXVXQAWHFGHI-UHFFFAOYSA-N 1 2 332.452 1.733 20 30 EDEDLO COc1cc(/C=C\C(=O)NCCn2cc[nH+]c2)ccc1OCC#N ZINC000491116373 447926866 /nfs/dbraw/zinc/92/68/66/447926866.db2.gz DMOCWFNIEUXMDY-HYXAFXHYSA-N 1 2 326.356 1.624 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cnc3c(C#N)cnn3c1)C[C@@H](C)O2 ZINC000575923277 447929560 /nfs/dbraw/zinc/92/95/60/447929560.db2.gz AEGTXRJSUBYOFO-XNJGSVPQSA-N 1 2 327.388 1.369 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cnc3c(C#N)cnn3c1)C[C@@H](C)O2 ZINC000575923277 447929564 /nfs/dbraw/zinc/92/95/64/447929564.db2.gz AEGTXRJSUBYOFO-XNJGSVPQSA-N 1 2 327.388 1.369 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCC(C(=O)OCC)CC1)Cc1ccccc1 ZINC000491126720 447932750 /nfs/dbraw/zinc/93/27/50/447932750.db2.gz RGUGCPVQTLHNJR-UHFFFAOYSA-N 1 2 342.439 1.924 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCC(C(=O)OCC)CC1)Cc1ccccc1 ZINC000491126720 447932755 /nfs/dbraw/zinc/93/27/55/447932755.db2.gz RGUGCPVQTLHNJR-UHFFFAOYSA-N 1 2 342.439 1.924 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000491371608 448006429 /nfs/dbraw/zinc/00/64/29/448006429.db2.gz FUVKHZFKDBFNEL-KRWDZBQOSA-N 1 2 338.411 1.669 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000491483393 448039295 /nfs/dbraw/zinc/03/92/95/448039295.db2.gz BQAXOWJCAZNDQC-XJKSGUPXSA-N 1 2 342.374 1.692 20 30 EDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000555415543 448074568 /nfs/dbraw/zinc/07/45/68/448074568.db2.gz ZSFUWHFAKUMZGN-KFWWJZLASA-N 1 2 339.395 1.676 20 30 EDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000555415543 448074573 /nfs/dbraw/zinc/07/45/73/448074573.db2.gz ZSFUWHFAKUMZGN-KFWWJZLASA-N 1 2 339.395 1.676 20 30 EDEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496975215 448086953 /nfs/dbraw/zinc/08/69/53/448086953.db2.gz QGMYGVJMAMATHB-NSHDSACASA-N 1 2 326.422 1.332 20 30 EDEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496975215 448086957 /nfs/dbraw/zinc/08/69/57/448086957.db2.gz QGMYGVJMAMATHB-NSHDSACASA-N 1 2 326.422 1.332 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000571095646 448108091 /nfs/dbraw/zinc/10/80/91/448108091.db2.gz NBNLRBOFHFASCT-AWEZNQCLSA-N 1 2 328.416 1.459 20 30 EDEDLO C#CC[NH+]1CCC(c2nc(-c3c4n(c(C)cc3=O)CCC4)no2)CC1 ZINC000491757372 448108706 /nfs/dbraw/zinc/10/87/06/448108706.db2.gz DFWYVJHWCBSVNX-UHFFFAOYSA-N 1 2 338.411 1.966 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCO1 ZINC000556810760 448161212 /nfs/dbraw/zinc/16/12/12/448161212.db2.gz CFKQYHALDYWEAI-ZDUSSCGKSA-N 1 2 331.391 1.566 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCO1 ZINC000556810760 448161215 /nfs/dbraw/zinc/16/12/15/448161215.db2.gz CFKQYHALDYWEAI-ZDUSSCGKSA-N 1 2 331.391 1.566 20 30 EDEDLO C#CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C1CC1 ZINC000491795883 448128733 /nfs/dbraw/zinc/12/87/33/448128733.db2.gz XTJNZDUATLMNQD-QGZVFWFLSA-N 1 2 342.443 1.642 20 30 EDEDLO C#CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C1CC1 ZINC000491795883 448128740 /nfs/dbraw/zinc/12/87/40/448128740.db2.gz XTJNZDUATLMNQD-QGZVFWFLSA-N 1 2 342.443 1.642 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000491804569 448132173 /nfs/dbraw/zinc/13/21/73/448132173.db2.gz LVRBYKWPZUFHDM-KBRIMQKVSA-N 1 2 349.381 1.754 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000491804569 448132177 /nfs/dbraw/zinc/13/21/77/448132177.db2.gz LVRBYKWPZUFHDM-KBRIMQKVSA-N 1 2 349.381 1.754 20 30 EDEDLO Cc1cnc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)s1 ZINC000527297795 448204099 /nfs/dbraw/zinc/20/40/99/448204099.db2.gz DBBOEBCKAZVLMM-ZDUSSCGKSA-N 1 2 333.461 1.525 20 30 EDEDLO N#CC1(NC(=O)C[NH+]2CCC(Oc3ncccc3F)CC2)CCC1 ZINC000561886769 448240684 /nfs/dbraw/zinc/24/06/84/448240684.db2.gz LVKDLOUOXSDNEC-UHFFFAOYSA-N 1 2 332.379 1.626 20 30 EDEDLO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)c(F)c1F ZINC000577116381 448213793 /nfs/dbraw/zinc/21/37/93/448213793.db2.gz YSPWGTHKWTVCDR-LLVKDONJSA-N 1 2 327.331 1.508 20 30 EDEDLO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)c(F)c1F ZINC000577116381 448213798 /nfs/dbraw/zinc/21/37/98/448213798.db2.gz YSPWGTHKWTVCDR-LLVKDONJSA-N 1 2 327.331 1.508 20 30 EDEDLO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1ncc(Br)cn1 ZINC000563001529 448279739 /nfs/dbraw/zinc/27/97/39/448279739.db2.gz WGDFGTJOGFTKNK-CMPLNLGQSA-N 1 2 342.241 1.096 20 30 EDEDLO C[C@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1ncc(Br)cn1 ZINC000563001529 448279747 /nfs/dbraw/zinc/27/97/47/448279747.db2.gz WGDFGTJOGFTKNK-CMPLNLGQSA-N 1 2 342.241 1.096 20 30 EDEDLO C[C@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1ncc(Br)cn1 ZINC000563001529 448279754 /nfs/dbraw/zinc/27/97/54/448279754.db2.gz WGDFGTJOGFTKNK-CMPLNLGQSA-N 1 2 342.241 1.096 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000591187282 448284059 /nfs/dbraw/zinc/28/40/59/448284059.db2.gz FQXJETLXZGBYSB-QGZVFWFLSA-N 1 2 342.443 1.956 20 30 EDEDLO CS(=O)(=O)c1ccc(CNC(=O)C[NH+]2CCC(CC#N)CC2)cc1 ZINC000564723902 448337380 /nfs/dbraw/zinc/33/73/80/448337380.db2.gz ARPNFZKOUBJOCX-UHFFFAOYSA-N 1 2 349.456 1.332 20 30 EDEDLO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)Cn1cnc(C#N)n1 ZINC000535197912 448488935 /nfs/dbraw/zinc/48/89/35/448488935.db2.gz VFYUSQFMEFYBFG-CQSZACIVSA-N 1 2 349.398 1.499 20 30 EDEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000572934302 448497457 /nfs/dbraw/zinc/49/74/57/448497457.db2.gz AFHSZWGIOXLFTP-AWEZNQCLSA-N 1 2 325.409 1.658 20 30 EDEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@H+]1C ZINC000572934302 448497461 /nfs/dbraw/zinc/49/74/61/448497461.db2.gz AFHSZWGIOXLFTP-AWEZNQCLSA-N 1 2 325.409 1.658 20 30 EDEDLO COC(=O)c1cccc(C[NH+]2CCC(N3CCCC3=O)CC2)c1C#N ZINC000535964998 448513847 /nfs/dbraw/zinc/51/38/47/448513847.db2.gz UOTUCNLYLCITKH-UHFFFAOYSA-N 1 2 341.411 1.932 20 30 EDEDLO N#CCc1ccc(CS(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000566852726 448571496 /nfs/dbraw/zinc/57/14/96/448571496.db2.gz NOMPJIKVZDSELQ-HNNXBMFYSA-N 1 2 330.413 1.384 20 30 EDEDLO CCN1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C(C)(C)C1=O ZINC000528466773 448539915 /nfs/dbraw/zinc/53/99/15/448539915.db2.gz WLDAPVJGIOWXPY-OAHLLOKOSA-N 1 2 331.416 1.241 20 30 EDEDLO CCN1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C(C)(C)C1=O ZINC000528466773 448539926 /nfs/dbraw/zinc/53/99/26/448539926.db2.gz WLDAPVJGIOWXPY-OAHLLOKOSA-N 1 2 331.416 1.241 20 30 EDEDLO N#Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)nc1 ZINC000573426942 448623193 /nfs/dbraw/zinc/62/31/93/448623193.db2.gz WMKBENSRQYDMCP-UHFFFAOYSA-N 1 2 335.367 1.049 20 30 EDEDLO N#Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)nc1 ZINC000573426942 448623199 /nfs/dbraw/zinc/62/31/99/448623199.db2.gz WMKBENSRQYDMCP-UHFFFAOYSA-N 1 2 335.367 1.049 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000592072621 448660666 /nfs/dbraw/zinc/66/06/66/448660666.db2.gz WDCOSSMKFGBKSX-OAHLLOKOSA-N 1 2 327.432 1.082 20 30 EDEDLO N#CCC[C@H](C#N)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000518364779 448669470 /nfs/dbraw/zinc/66/94/70/448669470.db2.gz XHTYMXXXKMMFTK-GFCCVEGCSA-N 1 2 336.373 1.402 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000579070654 448704734 /nfs/dbraw/zinc/70/47/34/448704734.db2.gz XGHKSWCSEUJQBM-HNNXBMFYSA-N 1 2 347.463 1.018 20 30 EDEDLO CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592148845 448708203 /nfs/dbraw/zinc/70/82/03/448708203.db2.gz CZCFTJQKSVEOEU-SFHVURJKSA-N 1 2 331.416 1.442 20 30 EDEDLO CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592148845 448708209 /nfs/dbraw/zinc/70/82/09/448708209.db2.gz CZCFTJQKSVEOEU-SFHVURJKSA-N 1 2 331.416 1.442 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000592149651 448710632 /nfs/dbraw/zinc/71/06/32/448710632.db2.gz SXKMBUZWMGXHLN-HNNXBMFYSA-N 1 2 325.315 1.577 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000592149651 448710635 /nfs/dbraw/zinc/71/06/35/448710635.db2.gz SXKMBUZWMGXHLN-HNNXBMFYSA-N 1 2 325.315 1.577 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000592149328 448710819 /nfs/dbraw/zinc/71/08/19/448710819.db2.gz NCQWNYCZUNSASI-AWEZNQCLSA-N 1 2 327.306 1.994 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000592149328 448710820 /nfs/dbraw/zinc/71/08/20/448710820.db2.gz NCQWNYCZUNSASI-AWEZNQCLSA-N 1 2 327.306 1.994 20 30 EDEDLO CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592150627 448711612 /nfs/dbraw/zinc/71/16/12/448711612.db2.gz FGAWMDSNGAYKOA-IEBWSBKVSA-N 1 2 329.444 1.893 20 30 EDEDLO CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592150627 448711619 /nfs/dbraw/zinc/71/16/19/448711619.db2.gz FGAWMDSNGAYKOA-IEBWSBKVSA-N 1 2 329.444 1.893 20 30 EDEDLO CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592150629 448711978 /nfs/dbraw/zinc/71/19/78/448711978.db2.gz FGAWMDSNGAYKOA-PKOBYXMFSA-N 1 2 329.444 1.893 20 30 EDEDLO CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592150629 448711982 /nfs/dbraw/zinc/71/19/82/448711982.db2.gz FGAWMDSNGAYKOA-PKOBYXMFSA-N 1 2 329.444 1.893 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)C2(C#N)CCCCC2)C1=O ZINC000544011495 448751774 /nfs/dbraw/zinc/75/17/74/448751774.db2.gz DFRFPNIPNXZGAB-CQSZACIVSA-N 1 2 343.431 1.501 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)C1=O ZINC000574166431 448806803 /nfs/dbraw/zinc/80/68/03/448806803.db2.gz WZGWAPATUMIIIA-JSGCOSHPSA-N 1 2 334.445 1.076 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)C1=O ZINC000574166431 448806806 /nfs/dbraw/zinc/80/68/06/448806806.db2.gz WZGWAPATUMIIIA-JSGCOSHPSA-N 1 2 334.445 1.076 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(C#N)CC1)c1ccccc1 ZINC000545205356 448778315 /nfs/dbraw/zinc/77/83/15/448778315.db2.gz DOZDNQOHQIYWOL-AWEZNQCLSA-N 1 2 330.413 1.733 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000520306476 448882539 /nfs/dbraw/zinc/88/25/39/448882539.db2.gz AIYXTDGYHZXUCR-MRXNPFEDSA-N 1 2 331.376 1.743 20 30 EDEDLO C=C(C)CS(=O)(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000574509548 448888662 /nfs/dbraw/zinc/88/86/62/448888662.db2.gz KPKQXDAPLDBPBT-NVXWUHKLSA-N 1 2 338.473 1.771 20 30 EDEDLO C=C(C)CS(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000574509548 448888667 /nfs/dbraw/zinc/88/86/67/448888667.db2.gz KPKQXDAPLDBPBT-NVXWUHKLSA-N 1 2 338.473 1.771 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC3(CCOC3)CC2)nc1 ZINC000588963315 448954085 /nfs/dbraw/zinc/95/40/85/448954085.db2.gz OLNFQQDEORGGAE-UHFFFAOYSA-N 1 2 335.429 1.229 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589300596 449004995 /nfs/dbraw/zinc/00/49/95/449004995.db2.gz KSFUUUIZHPLQBO-UHFFFAOYSA-N 1 2 325.372 1.516 20 30 EDEDLO Cc1cc(N2CC[C@H]([NH2+]Cc3cccc(F)c3C#N)C2=O)n(C)n1 ZINC000589821275 449063918 /nfs/dbraw/zinc/06/39/18/449063918.db2.gz MXGULCFOFUQSIT-HNNXBMFYSA-N 1 2 327.363 1.634 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595727315 449133355 /nfs/dbraw/zinc/13/33/55/449133355.db2.gz APQASOBLQGLDPL-UXLLHSPISA-N 1 2 327.384 1.373 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595727315 449133359 /nfs/dbraw/zinc/13/33/59/449133359.db2.gz APQASOBLQGLDPL-UXLLHSPISA-N 1 2 327.384 1.373 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(C#N)c1C ZINC000595728188 449134711 /nfs/dbraw/zinc/13/47/11/449134711.db2.gz LDNWUCWVTCHZKS-TZMCWYRMSA-N 1 2 346.456 1.776 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c(C#N)c1C ZINC000595728188 449134713 /nfs/dbraw/zinc/13/47/13/449134713.db2.gz LDNWUCWVTCHZKS-TZMCWYRMSA-N 1 2 346.456 1.776 20 30 EDEDLO CC(C)([NH2+]Cc1nnc(S(C)(=O)=O)s1)c1cccc(C#N)c1 ZINC000595640653 449094334 /nfs/dbraw/zinc/09/43/34/449094334.db2.gz TXABGNBFOBMHHG-UHFFFAOYSA-N 1 2 336.442 1.838 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000548859111 449106688 /nfs/dbraw/zinc/10/66/88/449106688.db2.gz NLFSJKNVYQQERW-UKRRQHHQSA-N 1 2 347.444 1.578 20 30 EDEDLO N#Cc1ccc(-c2cc(N3CC[NH+](CCc4cn[nH]n4)CC3)n[nH]2)cc1 ZINC000595734304 449136618 /nfs/dbraw/zinc/13/66/18/449136618.db2.gz REEYFZAVSXYAFC-UHFFFAOYSA-N 1 2 348.414 1.431 20 30 EDEDLO N#Cc1ccc(-c2cc(N3CC[NH+](CCc4c[nH]nn4)CC3)n[nH]2)cc1 ZINC000595734304 449136620 /nfs/dbraw/zinc/13/66/20/449136620.db2.gz REEYFZAVSXYAFC-UHFFFAOYSA-N 1 2 348.414 1.431 20 30 EDEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000595678930 449115635 /nfs/dbraw/zinc/11/56/35/449115635.db2.gz UJJLRHIMPSUJMK-QGZVFWFLSA-N 1 2 347.415 1.603 20 30 EDEDLO COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000595678930 449115636 /nfs/dbraw/zinc/11/56/36/449115636.db2.gz UJJLRHIMPSUJMK-QGZVFWFLSA-N 1 2 347.415 1.603 20 30 EDEDLO COc1cc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)c(F)cc1C#N ZINC000599938992 449117853 /nfs/dbraw/zinc/11/78/53/449117853.db2.gz LAKHSRVDLLELBS-SNVBAGLBSA-N 1 2 345.334 1.046 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccccc1C#N)C(C)(C)CO ZINC000597845083 449120597 /nfs/dbraw/zinc/12/05/97/449120597.db2.gz FJLNAYRXAUHCKQ-MRXNPFEDSA-N 1 2 342.399 1.547 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](CC#N)C1 ZINC000597900074 449138432 /nfs/dbraw/zinc/13/84/32/449138432.db2.gz IJYKWPZMWGQSSV-GOEBONIOSA-N 1 2 345.447 1.635 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](CC#N)C1 ZINC000597900074 449138435 /nfs/dbraw/zinc/13/84/35/449138435.db2.gz IJYKWPZMWGQSSV-GOEBONIOSA-N 1 2 345.447 1.635 20 30 EDEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174135 449199587 /nfs/dbraw/zinc/19/95/87/449199587.db2.gz DXWHIINMHXORRW-INIZCTEOSA-N 1 2 344.459 1.746 20 30 EDEDLO N#CCCN1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000611175393 449202195 /nfs/dbraw/zinc/20/21/95/449202195.db2.gz XVCXZHMXWCEDQH-MRXNPFEDSA-N 1 2 328.416 1.158 20 30 EDEDLO Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175969 449202356 /nfs/dbraw/zinc/20/23/56/449202356.db2.gz PQOCSUKXRMFLDA-KRWDZBQOSA-N 1 2 328.460 1.574 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000611137897 449182321 /nfs/dbraw/zinc/18/23/21/449182321.db2.gz KHCDOVBQIYWVQY-LZLYRXPVSA-N 1 2 331.391 1.742 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000611137897 449182326 /nfs/dbraw/zinc/18/23/26/449182326.db2.gz KHCDOVBQIYWVQY-LZLYRXPVSA-N 1 2 331.391 1.742 20 30 EDEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCOCC1 ZINC000601850894 449183655 /nfs/dbraw/zinc/18/36/55/449183655.db2.gz IDVKWKPHXITJOC-UHFFFAOYSA-N 1 2 346.456 1.571 20 30 EDEDLO N#Cc1cc(F)cc(NC(=O)C(=O)NC[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000602056025 449305966 /nfs/dbraw/zinc/30/59/66/449305966.db2.gz XVXBQYVALXLUJY-NSHDSACASA-N 1 2 341.346 1.211 20 30 EDEDLO N#CC1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000593428653 449279029 /nfs/dbraw/zinc/27/90/29/449279029.db2.gz JBLPJGRYFISOSX-UHFFFAOYSA-N 1 2 327.432 1.993 20 30 EDEDLO Cn1cnnc1N1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000594023707 449329054 /nfs/dbraw/zinc/32/90/54/449329054.db2.gz SMXBSLVXBWNSFV-UHFFFAOYSA-N 1 2 348.357 1.610 20 30 EDEDLO C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000598460640 449406271 /nfs/dbraw/zinc/40/62/71/449406271.db2.gz UVEHGAXHKKBJMK-LBPRGKRZSA-N 1 2 346.412 1.084 20 30 EDEDLO CC[C@@]1(O)CCN(c2cc(C)[nH+]c(N3CC[C@](O)(CC)C3)c2C#N)C1 ZINC000596207166 449413789 /nfs/dbraw/zinc/41/37/89/449413789.db2.gz CSINKLTTZBTGSL-RTBURBONSA-N 1 2 344.459 1.964 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594218291 449394208 /nfs/dbraw/zinc/39/42/08/449394208.db2.gz IVQDWVKSILQNTK-OAHLLOKOSA-N 1 2 342.443 1.957 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594218291 449394214 /nfs/dbraw/zinc/39/42/14/449394214.db2.gz IVQDWVKSILQNTK-OAHLLOKOSA-N 1 2 342.443 1.957 20 30 EDEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCN(c2ccsc2C#N)CC1 ZINC000596353478 449480108 /nfs/dbraw/zinc/48/01/08/449480108.db2.gz WACHNNAWRCUMJD-UHFFFAOYSA-N 1 2 340.416 1.205 20 30 EDEDLO N#Cc1sccc1N1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000596353013 449480619 /nfs/dbraw/zinc/48/06/19/449480619.db2.gz SVTGDPVWIUKVTD-UHFFFAOYSA-N 1 2 328.401 1.541 20 30 EDEDLO N#Cc1sccc1N1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000596353013 449480626 /nfs/dbraw/zinc/48/06/26/449480626.db2.gz SVTGDPVWIUKVTD-UHFFFAOYSA-N 1 2 328.401 1.541 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000594303959 449438772 /nfs/dbraw/zinc/43/87/72/449438772.db2.gz LCFZXVVUZRXLSR-CQSZACIVSA-N 1 2 342.443 1.145 20 30 EDEDLO N#Cc1cccnc1NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596516924 449537969 /nfs/dbraw/zinc/53/79/69/449537969.db2.gz WPAAOYDRMXANKX-LJQANCHMSA-N 1 2 338.411 1.629 20 30 EDEDLO N#Cc1cccnc1NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596516924 449537973 /nfs/dbraw/zinc/53/79/73/449537973.db2.gz WPAAOYDRMXANKX-LJQANCHMSA-N 1 2 338.411 1.629 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2cccnn2)cc1 ZINC000598728663 449566361 /nfs/dbraw/zinc/56/63/61/449566361.db2.gz FBPAMXAZPWWALM-HNNXBMFYSA-N 1 2 327.388 1.887 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2cccnn2)cc1 ZINC000598728663 449566368 /nfs/dbraw/zinc/56/63/68/449566368.db2.gz FBPAMXAZPWWALM-HNNXBMFYSA-N 1 2 327.388 1.887 20 30 EDEDLO CC1(C)Cc2n[nH]cc2C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000596599161 449568461 /nfs/dbraw/zinc/56/84/61/449568461.db2.gz QSWHAWHCWUNDIW-UHFFFAOYSA-N 1 2 337.427 1.982 20 30 EDEDLO CC1(C)Cc2n[nH]cc2C[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000596599161 449568468 /nfs/dbraw/zinc/56/84/68/449568468.db2.gz QSWHAWHCWUNDIW-UHFFFAOYSA-N 1 2 337.427 1.982 20 30 EDEDLO C[C@@]1(C#N)CCC[N@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000612161406 449594134 /nfs/dbraw/zinc/59/41/34/449594134.db2.gz BGUCGVXCTAZOPJ-IBGZPJMESA-N 1 2 346.475 1.473 20 30 EDEDLO C[C@@]1(C#N)CCC[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 ZINC000612161406 449594137 /nfs/dbraw/zinc/59/41/37/449594137.db2.gz BGUCGVXCTAZOPJ-IBGZPJMESA-N 1 2 346.475 1.473 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCc1ccc(C#N)cc1 ZINC000596671031 449598528 /nfs/dbraw/zinc/59/85/28/449598528.db2.gz XJWCUMMQHPIHGZ-CABCVRRESA-N 1 2 330.432 1.509 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCc1ccc(C#N)cc1 ZINC000596671031 449598529 /nfs/dbraw/zinc/59/85/29/449598529.db2.gz XJWCUMMQHPIHGZ-CABCVRRESA-N 1 2 330.432 1.509 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000596709464 449617112 /nfs/dbraw/zinc/61/71/12/449617112.db2.gz YYLFDLQYQBZCES-STQMWFEESA-N 1 2 332.404 1.798 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000596709464 449617118 /nfs/dbraw/zinc/61/71/18/449617118.db2.gz YYLFDLQYQBZCES-STQMWFEESA-N 1 2 332.404 1.798 20 30 EDEDLO CCn1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C2CC2)n1 ZINC000601023481 449659056 /nfs/dbraw/zinc/65/90/56/449659056.db2.gz IALHOGNVKVUYQF-UHFFFAOYSA-N 1 2 345.447 1.468 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NCCCC#N ZINC000612372356 449666059 /nfs/dbraw/zinc/66/60/59/449666059.db2.gz QNDAPRFCGMPZHN-OAHLLOKOSA-N 1 2 340.387 1.129 20 30 EDEDLO N#Cc1cnc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c(F)c1 ZINC000599184547 449784231 /nfs/dbraw/zinc/78/42/31/449784231.db2.gz GTBXXNDVFNEPAL-OAHLLOKOSA-N 1 2 327.363 1.800 20 30 EDEDLO N#Cc1cnc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c(F)c1 ZINC000599184547 449784241 /nfs/dbraw/zinc/78/42/41/449784241.db2.gz GTBXXNDVFNEPAL-OAHLLOKOSA-N 1 2 327.363 1.800 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000599130353 449753920 /nfs/dbraw/zinc/75/39/20/449753920.db2.gz VZQDTEJQENIWKU-QGZVFWFLSA-N 1 2 346.387 1.494 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000599130353 449753927 /nfs/dbraw/zinc/75/39/27/449753927.db2.gz VZQDTEJQENIWKU-QGZVFWFLSA-N 1 2 346.387 1.494 20 30 EDEDLO N#CCCn1ncc2c1nc[nH+]c2N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000601234398 449766196 /nfs/dbraw/zinc/76/61/96/449766196.db2.gz DKJRXHKVOFSHGF-GXSJLCMTSA-N 1 2 340.309 1.347 20 30 EDEDLO CCCn1nccc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000597109070 449819881 /nfs/dbraw/zinc/81/98/81/449819881.db2.gz ZTPHOKSMCAIERH-UHFFFAOYSA-N 1 2 327.436 1.529 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCC[C@H]2CCOC2)c1=O ZINC000594897190 449799315 /nfs/dbraw/zinc/79/93/15/449799315.db2.gz BIRCGOUOVOTEJD-HNNXBMFYSA-N 1 2 331.416 1.369 20 30 EDEDLO COC(=O)c1ccc2[nH]c(C[NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)nc2c1 ZINC000602848517 449855992 /nfs/dbraw/zinc/85/59/92/449855992.db2.gz GNDNDJXZFAOMRH-CHWSQXEVSA-N 1 2 341.415 1.768 20 30 EDEDLO C[C@H](CC#N)[NH2+]CC(=O)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000602861071 449871882 /nfs/dbraw/zinc/87/18/82/449871882.db2.gz FFXLCIAKBDFHQC-UKRRQHHQSA-N 1 2 341.477 1.227 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCNC(=O)[C@@H]2c2cccs2)CCOCC1 ZINC000599330806 449897825 /nfs/dbraw/zinc/89/78/25/449897825.db2.gz OYEUKHVVNITXOF-HIFRSBDPSA-N 1 2 349.456 1.292 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCNC(=O)[C@@H]2c2cccs2)CCOCC1 ZINC000599330806 449897831 /nfs/dbraw/zinc/89/78/31/449897831.db2.gz OYEUKHVVNITXOF-HIFRSBDPSA-N 1 2 349.456 1.292 20 30 EDEDLO C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1cccc(C#N)c1 ZINC000617941689 449943866 /nfs/dbraw/zinc/94/38/66/449943866.db2.gz MURVCYWHANPNPN-AWEZNQCLSA-N 1 2 328.416 1.783 20 30 EDEDLO CC(C)(CC#N)CS(=O)(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000601453817 449977639 /nfs/dbraw/zinc/97/76/39/449977639.db2.gz WTLNRRAOAFDCIO-KBPBESRZSA-N 1 2 343.493 1.345 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C1 ZINC000601496364 450015401 /nfs/dbraw/zinc/01/54/01/450015401.db2.gz OKRMCOAHHRIPED-AWEZNQCLSA-N 1 2 325.416 1.593 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C1 ZINC000601496364 450015405 /nfs/dbraw/zinc/01/54/05/450015405.db2.gz OKRMCOAHHRIPED-AWEZNQCLSA-N 1 2 325.416 1.593 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000609484923 450035602 /nfs/dbraw/zinc/03/56/02/450035602.db2.gz GXGJSBWMBMQFFI-SQNIBIBYSA-N 1 2 348.491 1.322 20 30 EDEDLO N#C[C@@]1(F)CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000615529287 450124967 /nfs/dbraw/zinc/12/49/67/450124967.db2.gz UVNWCDHMVXBVIB-WMZOPIPTSA-N 1 2 346.406 1.707 20 30 EDEDLO N#C[C@]1(F)CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000615531019 450126719 /nfs/dbraw/zinc/12/67/19/450126719.db2.gz GYNWGQQZDOJAGH-MRXNPFEDSA-N 1 2 333.367 1.065 20 30 EDEDLO N#CC[C@H](CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)c1ccccc1 ZINC000597627009 450154844 /nfs/dbraw/zinc/15/48/44/450154844.db2.gz WPZCJJYFNDETPF-MSOLQXFVSA-N 1 2 326.444 1.580 20 30 EDEDLO N#CC[C@H](CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)c1ccccc1 ZINC000597627009 450154849 /nfs/dbraw/zinc/15/48/49/450154849.db2.gz WPZCJJYFNDETPF-MSOLQXFVSA-N 1 2 326.444 1.580 20 30 EDEDLO N#C[C@]1(F)CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000601648970 450140367 /nfs/dbraw/zinc/14/03/67/450140367.db2.gz VIOASUGAYCJQPT-MRXNPFEDSA-N 1 2 349.435 1.782 20 30 EDEDLO COC(=O)[C@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000599670256 450141277 /nfs/dbraw/zinc/14/12/77/450141277.db2.gz HPMUOMLZVUZRCL-QFBILLFUSA-N 1 2 343.427 1.813 20 30 EDEDLO COC(=O)[C@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc2ccccc21 ZINC000599670256 450141280 /nfs/dbraw/zinc/14/12/80/450141280.db2.gz HPMUOMLZVUZRCL-QFBILLFUSA-N 1 2 343.427 1.813 20 30 EDEDLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(C#N)cc3)[nH+]c12 ZINC000610465404 450230989 /nfs/dbraw/zinc/23/09/89/450230989.db2.gz YKOLGTINMFNMJM-UHFFFAOYSA-N 1 2 347.378 1.812 20 30 EDEDLO CC(C)(CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000618797228 450304327 /nfs/dbraw/zinc/30/43/27/450304327.db2.gz HZAYKCIARAOSPG-KRWDZBQOSA-N 1 2 342.443 1.956 20 30 EDEDLO C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000613935522 450364765 /nfs/dbraw/zinc/36/47/65/450364765.db2.gz HYDPTLNGTOKMAF-KGLIPLIRSA-N 1 2 329.466 1.099 20 30 EDEDLO C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000613935522 450364771 /nfs/dbraw/zinc/36/47/71/450364771.db2.gz HYDPTLNGTOKMAF-KGLIPLIRSA-N 1 2 329.466 1.099 20 30 EDEDLO N#CCc1cccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000619500376 450493378 /nfs/dbraw/zinc/49/33/78/450493378.db2.gz RAXFQNKJMMNTQB-MRXNPFEDSA-N 1 2 343.408 1.990 20 30 EDEDLO C=CC(C)(C)CCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000624470130 450855655 /nfs/dbraw/zinc/85/56/55/450855655.db2.gz POKMPOJDPWACKK-UHFFFAOYSA-N 1 2 336.480 1.538 20 30 EDEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)ccc1OC ZINC000628474823 451262459 /nfs/dbraw/zinc/26/24/59/451262459.db2.gz RMKXHABCIUFHDI-HNNXBMFYSA-N 1 2 334.416 1.726 20 30 EDEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)ccc1OC ZINC000628474823 451262464 /nfs/dbraw/zinc/26/24/64/451262464.db2.gz RMKXHABCIUFHDI-HNNXBMFYSA-N 1 2 334.416 1.726 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(-c3ccc(OC)cc3)o2)nn1 ZINC000640794911 451588492 /nfs/dbraw/zinc/58/84/92/451588492.db2.gz NGUZJAMGYVXNOS-UHFFFAOYSA-N 1 2 338.371 1.498 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)nn1 ZINC000640864808 451649573 /nfs/dbraw/zinc/64/95/73/451649573.db2.gz VDTQRHZUUJPPHB-DOTOQJQBSA-N 1 2 329.448 1.572 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(c3ccccc3F)C2=O)nn1 ZINC000641046372 451740990 /nfs/dbraw/zinc/74/09/90/451740990.db2.gz UCYOMCXUNZIDFG-MRXNPFEDSA-N 1 2 327.363 1.508 20 30 EDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000665784822 452364431 /nfs/dbraw/zinc/36/44/31/452364431.db2.gz HFAOFEWACQPIKO-QGZVFWFLSA-N 1 2 338.835 1.800 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000665843974 452410980 /nfs/dbraw/zinc/41/09/80/452410980.db2.gz CUHCWDNKHGELAK-INIZCTEOSA-N 1 2 330.432 1.769 20 30 EDEDLO C=CCOCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000661007864 453679193 /nfs/dbraw/zinc/67/91/93/453679193.db2.gz QVUWXLRUIAWGEI-SFHVURJKSA-N 1 2 346.475 1.304 20 30 EDEDLO C=CCOCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000661007864 453679195 /nfs/dbraw/zinc/67/91/95/453679195.db2.gz QVUWXLRUIAWGEI-SFHVURJKSA-N 1 2 346.475 1.304 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2cccc(S(=O)(=O)NC)c2)nn1 ZINC000657325102 453765557 /nfs/dbraw/zinc/76/55/57/453765557.db2.gz AZNDWICFEGCJHQ-UHFFFAOYSA-N 1 2 335.433 1.052 20 30 EDEDLO C=CCc1cc(CN2CC[NH+](CC(=O)N(C)C)CC2)cc(OC)c1O ZINC000678125627 487253296 /nfs/dbraw/zinc/25/32/96/487253296.db2.gz MIKKNZHATIFMNT-UHFFFAOYSA-N 1 2 347.459 1.335 20 30 EDEDLO C=CCc1cc(C[NH+]2CCN(CC(=O)N(C)C)CC2)cc(OC)c1O ZINC000678125627 487253298 /nfs/dbraw/zinc/25/32/98/487253298.db2.gz MIKKNZHATIFMNT-UHFFFAOYSA-N 1 2 347.459 1.335 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccccc3OCC#N)CC2)S1 ZINC000174406663 534004212 /nfs/dbraw/zinc/00/42/12/534004212.db2.gz CISFKYNAGFYBQO-ZDUSSCGKSA-N 1 2 344.440 1.838 20 30 EDEDLO C=CCNC(=O)C[N@@H+](CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000111255611 526527518 /nfs/dbraw/zinc/52/75/18/526527518.db2.gz LUWWNJJJZZFWSQ-UHFFFAOYSA-N 1 2 326.343 1.632 20 30 EDEDLO C=CCNC(=O)C[N@H+](CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000111255611 526527522 /nfs/dbraw/zinc/52/75/22/526527522.db2.gz LUWWNJJJZZFWSQ-UHFFFAOYSA-N 1 2 326.343 1.632 20 30 EDEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)NC(C)C)CC2)cc1 ZINC000112128952 526869720 /nfs/dbraw/zinc/86/97/20/526869720.db2.gz PECINLXCEUZZQA-UHFFFAOYSA-N 1 2 331.460 1.894 20 30 EDEDLO C=CCOc1ccc(CN2CC[NH+](CC(=O)NC(C)C)CC2)cc1 ZINC000112128952 526869723 /nfs/dbraw/zinc/86/97/23/526869723.db2.gz PECINLXCEUZZQA-UHFFFAOYSA-N 1 2 331.460 1.894 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000111252783 528354908 /nfs/dbraw/zinc/35/49/08/528354908.db2.gz SOFFQQAIHOJMEQ-KRWDZBQOSA-N 1 2 342.443 1.876 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000111252783 528354913 /nfs/dbraw/zinc/35/49/13/528354913.db2.gz SOFFQQAIHOJMEQ-KRWDZBQOSA-N 1 2 342.443 1.876 20 30 EDEDLO CCC(CC)(NC(=O)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1)C(N)=O ZINC000353239459 534996131 /nfs/dbraw/zinc/99/61/31/534996131.db2.gz WMUOTHPSBJOGOL-UHFFFAOYSA-N 1 2 346.406 1.289 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000264249134 536653507 /nfs/dbraw/zinc/65/35/07/536653507.db2.gz OTGXFMFVVJUCAD-QWHCGFSZSA-N 1 2 332.404 1.798 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCC(=O)NC)cc1 ZINC000730285536 578639672 /nfs/dbraw/zinc/63/96/72/578639672.db2.gz WKDSOQYXSQRYBV-INIZCTEOSA-N 1 2 329.400 1.238 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCC(=O)NC)cc1 ZINC000730285536 578639673 /nfs/dbraw/zinc/63/96/73/578639673.db2.gz WKDSOQYXSQRYBV-INIZCTEOSA-N 1 2 329.400 1.238 20 30 EDEDLO Cc1ccccc1C(=NNC(=S)NCC[NH+]1CCOCC1)C1CC1 ZINC000731924929 578683475 /nfs/dbraw/zinc/68/34/75/578683475.db2.gz SVJUQZXILAMQBN-UHFFFAOYSA-N 1 2 346.500 1.905 20 30 EDEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+](C)[C@H](C)CC#N ZINC000737525614 579104577 /nfs/dbraw/zinc/10/45/77/579104577.db2.gz UYAQZWZAFJRAJD-LLVKDONJSA-N 1 2 337.391 1.625 20 30 EDEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C)[C@H](C)CC#N ZINC000737525614 579104578 /nfs/dbraw/zinc/10/45/78/579104578.db2.gz UYAQZWZAFJRAJD-LLVKDONJSA-N 1 2 337.391 1.625 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000748817523 579701604 /nfs/dbraw/zinc/70/16/04/579701604.db2.gz OEAGQMYYGXXCFJ-GOSISDBHSA-N 1 2 347.409 1.879 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000748817523 579701605 /nfs/dbraw/zinc/70/16/05/579701605.db2.gz OEAGQMYYGXXCFJ-GOSISDBHSA-N 1 2 347.409 1.879 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)N(C)CC3)CC1 ZINC000753372322 579878155 /nfs/dbraw/zinc/87/81/55/579878155.db2.gz RALHORKUVYDXFR-UHFFFAOYSA-N 1 2 333.457 1.009 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000755045871 579918767 /nfs/dbraw/zinc/91/87/67/579918767.db2.gz POFTZGNAFJQROB-RDJZCZTQSA-N 1 2 329.400 1.573 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000755045871 579918768 /nfs/dbraw/zinc/91/87/68/579918768.db2.gz POFTZGNAFJQROB-RDJZCZTQSA-N 1 2 329.400 1.573 20 30 EDEDLO Cc1[nH]c[nH+]c1C=NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000755609317 579930956 /nfs/dbraw/zinc/93/09/56/579930956.db2.gz QVJDFLXOWIGSBJ-KRWDZBQOSA-N 1 2 325.372 1.995 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000757574786 579968219 /nfs/dbraw/zinc/96/82/19/579968219.db2.gz GNARYYKFOHUFDV-OLZOCXBDSA-N 1 2 333.392 1.148 20 30 EDEDLO C=C[C@@H](CC(=O)N1CC[NH+](CC[S@@](C)=O)CC1)c1ccccc1 ZINC000759152008 579999672 /nfs/dbraw/zinc/99/96/72/579999672.db2.gz AYQKTQOZEOFJKG-QMHKHESXSA-N 1 2 334.485 1.869 20 30 EDEDLO CC(CCc1ccsc1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000764895529 580130732 /nfs/dbraw/zinc/13/07/32/580130732.db2.gz KPLORQBULZKBLY-UHFFFAOYSA-N 1 2 340.518 1.853 20 30 EDEDLO Cc1noc([C@H]2CCC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000766611686 580170117 /nfs/dbraw/zinc/17/01/17/580170117.db2.gz GRPCOJNVTOJXLH-AWEZNQCLSA-N 1 2 339.399 1.737 20 30 EDEDLO Cc1noc([C@H]2CCC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000766611686 580170118 /nfs/dbraw/zinc/17/01/18/580170118.db2.gz GRPCOJNVTOJXLH-AWEZNQCLSA-N 1 2 339.399 1.737 20 30 EDEDLO Cc1noc([C@@H]2CCC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000766611687 580170166 /nfs/dbraw/zinc/17/01/66/580170166.db2.gz GRPCOJNVTOJXLH-CQSZACIVSA-N 1 2 339.399 1.737 20 30 EDEDLO Cc1noc([C@@H]2CCC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)n1 ZINC000766611687 580170167 /nfs/dbraw/zinc/17/01/67/580170167.db2.gz GRPCOJNVTOJXLH-CQSZACIVSA-N 1 2 339.399 1.737 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCOCC4(CCOCC4)C3)c1=O)CCC2 ZINC000766632647 580170764 /nfs/dbraw/zinc/17/07/64/580170764.db2.gz BPZGRNSVSNHZIU-UHFFFAOYSA-N 1 2 343.427 1.295 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCOCC4(CCOCC4)C3)c1=O)CCC2 ZINC000766632647 580170765 /nfs/dbraw/zinc/17/07/65/580170765.db2.gz BPZGRNSVSNHZIU-UHFFFAOYSA-N 1 2 343.427 1.295 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767449513 580190035 /nfs/dbraw/zinc/19/00/35/580190035.db2.gz FJXWKHOKKSOSBD-XYPHTWIQSA-N 1 2 330.384 1.732 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767449513 580190036 /nfs/dbraw/zinc/19/00/36/580190036.db2.gz FJXWKHOKKSOSBD-XYPHTWIQSA-N 1 2 330.384 1.732 20 30 EDEDLO CC(=[NH+]NC(=S)NCCN1CCOCC1)c1ccccc1N(C)C ZINC000769566784 580240312 /nfs/dbraw/zinc/24/03/12/580240312.db2.gz HTQKXCBZPJSFKZ-UHFFFAOYSA-N 1 2 349.504 1.273 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772043766 580301500 /nfs/dbraw/zinc/30/15/00/580301500.db2.gz BDHXZVJEJFUTFT-ZENOOKHLSA-N 1 2 341.477 1.410 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772043766 580301501 /nfs/dbraw/zinc/30/15/01/580301501.db2.gz BDHXZVJEJFUTFT-ZENOOKHLSA-N 1 2 341.477 1.410 20 30 EDEDLO C=CC[C@H](NC(=O)C(=O)NCCCn1cc[nH+]c1)c1ccncc1 ZINC000774462471 580362824 /nfs/dbraw/zinc/36/28/24/580362824.db2.gz IRFRLSUZGCJOBG-HNNXBMFYSA-N 1 2 327.388 1.218 20 30 EDEDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000774689623 580370534 /nfs/dbraw/zinc/37/05/34/580370534.db2.gz NXQGNHAIHFUECB-ZIAGYGMSSA-N 1 2 333.388 1.028 20 30 EDEDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000774689623 580370535 /nfs/dbraw/zinc/37/05/35/580370535.db2.gz NXQGNHAIHFUECB-ZIAGYGMSSA-N 1 2 333.388 1.028 20 30 EDEDLO C#CCCCNC(=O)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000775099014 580382785 /nfs/dbraw/zinc/38/27/85/580382785.db2.gz JZWWDDINOSRAQU-UHFFFAOYSA-N 1 2 326.400 1.381 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC000778824425 580473053 /nfs/dbraw/zinc/47/30/53/580473053.db2.gz HLUCGJBMKFWIKM-HOTGVXAUSA-N 1 2 349.475 1.799 20 30 EDEDLO C#CCCOc1ccc(C[NH+]2CC(n3cc(C(=O)OC)nn3)C2)cc1 ZINC000779614402 580491335 /nfs/dbraw/zinc/49/13/35/580491335.db2.gz TXVSKWNPBVVKBX-UHFFFAOYSA-N 1 2 340.383 1.524 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000780690983 580531322 /nfs/dbraw/zinc/53/13/22/580531322.db2.gz VIAWKXLIPLVFEJ-KXBFYZLASA-N 1 2 347.459 1.411 20 30 EDEDLO Cc1cn2cc(NC(=O)C(=O)NCc3ccc(C#N)cn3)ccc2[nH+]1 ZINC000782130605 580567074 /nfs/dbraw/zinc/56/70/74/580567074.db2.gz XZVYSFUXYDIVQM-UHFFFAOYSA-N 1 2 334.339 1.164 20 30 EDEDLO CC1(C)C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC[C@@H]1O ZINC000782579016 580578416 /nfs/dbraw/zinc/57/84/16/580578416.db2.gz NUUVVUNKOLQASN-HNNXBMFYSA-N 1 2 326.400 1.513 20 30 EDEDLO CC1(C)C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC[C@@H]1O ZINC000782579016 580578417 /nfs/dbraw/zinc/57/84/17/580578417.db2.gz NUUVVUNKOLQASN-HNNXBMFYSA-N 1 2 326.400 1.513 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN(CCC#N)CC(F)(F)F)C1 ZINC000783999096 580611378 /nfs/dbraw/zinc/61/13/78/580611378.db2.gz XHYALKHKSYGBSV-NSHDSACASA-N 1 2 329.326 1.471 20 30 EDEDLO C#CCOCCNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000784190915 580615045 /nfs/dbraw/zinc/61/50/45/580615045.db2.gz TVWVPZWHMTUPPO-GOSISDBHSA-N 1 2 345.443 1.317 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000787449100 580695526 /nfs/dbraw/zinc/69/55/26/580695526.db2.gz PQHGBRXIXGNUME-AWEZNQCLSA-N 1 2 341.415 1.745 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2COc3ccccc3O2)n1 ZINC000789323014 580742121 /nfs/dbraw/zinc/74/21/21/580742121.db2.gz GFMFQBNYCFEISL-QGZVFWFLSA-N 1 2 341.411 1.805 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2COc3ccccc3O2)n1 ZINC000789323014 580742122 /nfs/dbraw/zinc/74/21/22/580742122.db2.gz GFMFQBNYCFEISL-QGZVFWFLSA-N 1 2 341.411 1.805 20 30 EDEDLO C#CCCCS(=O)(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000791422040 580792218 /nfs/dbraw/zinc/79/22/18/580792218.db2.gz HDFRKMKNUDCXCC-UHFFFAOYSA-N 1 2 331.441 1.959 20 30 EDEDLO CON(C)C(=O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000791624899 580796817 /nfs/dbraw/zinc/79/68/17/580796817.db2.gz PVMNOSNIQDJFNJ-HNNXBMFYSA-N 1 2 336.823 1.542 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000791872136 580804176 /nfs/dbraw/zinc/80/41/76/580804176.db2.gz VTOOBSRFRPLVJD-MSOLQXFVSA-N 1 2 339.439 1.310 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC000791872136 580804177 /nfs/dbraw/zinc/80/41/77/580804177.db2.gz VTOOBSRFRPLVJD-MSOLQXFVSA-N 1 2 339.439 1.310 20 30 EDEDLO C(=NNc1ccc(-n2cc[nH+]c2)nn1)c1cnnn1Cc1ccccc1 ZINC000793050526 580834812 /nfs/dbraw/zinc/83/48/12/580834812.db2.gz BCCSSVQKSIVVKX-UHFFFAOYSA-N 1 2 345.370 1.748 20 30 EDEDLO CCN(CC)S(=O)(=O)c1ccc(N=NCc2cn(C)c[nH+]2)nc1 ZINC000794482109 580894056 /nfs/dbraw/zinc/89/40/56/580894056.db2.gz NSSOSYSLFNDASU-UHFFFAOYSA-N 1 2 336.421 1.292 20 30 EDEDLO Cn1c[nH+]c(CN=Nc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 ZINC000794492181 580894515 /nfs/dbraw/zinc/89/45/15/580894515.db2.gz GJUHPHARUCTGOG-UHFFFAOYSA-N 1 2 334.405 1.046 20 30 EDEDLO CCCNC(=O)[C@@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794623650 580900076 /nfs/dbraw/zinc/90/00/76/580900076.db2.gz OIXRGAUXDJPKPH-GFCCVEGCSA-N 1 2 336.465 1.213 20 30 EDEDLO CCCNC(=O)[C@@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000794623650 580900077 /nfs/dbraw/zinc/90/00/77/580900077.db2.gz OIXRGAUXDJPKPH-GFCCVEGCSA-N 1 2 336.465 1.213 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(Cc2ncccc2O)CC1=O ZINC000794845820 580906771 /nfs/dbraw/zinc/90/67/71/580906771.db2.gz VOBZSGLETOPRQB-UHFFFAOYSA-N 1 2 349.394 1.947 20 30 EDEDLO C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795664961 580933376 /nfs/dbraw/zinc/93/33/76/580933376.db2.gz GNFOVCFTMDMGGX-GOEBONIOSA-N 1 2 332.400 1.518 20 30 EDEDLO C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795664961 580933377 /nfs/dbraw/zinc/93/33/77/580933377.db2.gz GNFOVCFTMDMGGX-GOEBONIOSA-N 1 2 332.400 1.518 20 30 EDEDLO CN1C(=O)CN(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O ZINC000795714599 580935092 /nfs/dbraw/zinc/93/50/92/580935092.db2.gz UUFZDPLSDUVIBU-UHFFFAOYSA-N 1 2 346.362 1.392 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H](C(=O)OCC)C1)Cc1ccccc1 ZINC000796633399 580958549 /nfs/dbraw/zinc/95/85/49/580958549.db2.gz UDBWOEAEAMBEHQ-SFHVURJKSA-N 1 2 342.439 1.924 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCC[C@H](C(=O)OCC)C1)Cc1ccccc1 ZINC000796633399 580958550 /nfs/dbraw/zinc/95/85/50/580958550.db2.gz UDBWOEAEAMBEHQ-SFHVURJKSA-N 1 2 342.439 1.924 20 30 EDEDLO C=CCN1CC[C@@H](OC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1=O ZINC000798663211 581004861 /nfs/dbraw/zinc/00/48/61/581004861.db2.gz AHVOWAMQYKRMFK-OAHLLOKOSA-N 1 2 349.337 1.953 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)OCc3ccccc3)CC2)C1=O ZINC000799142815 581018613 /nfs/dbraw/zinc/01/86/13/581018613.db2.gz DKHBXHAQXPBNNT-KRWDZBQOSA-N 1 2 343.427 1.728 20 30 EDEDLO N#Cc1ncccc1OS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799820853 581037566 /nfs/dbraw/zinc/03/75/66/581037566.db2.gz XHRXQYJXMFJDOI-UHFFFAOYSA-N 1 2 340.364 1.966 20 30 EDEDLO Cc1nn(-c2cccc(F)c2)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000890885960 590832776 /nfs/dbraw/zinc/83/27/76/590832776.db2.gz IAWIIIMHPYSRFC-QGZVFWFLSA-N 1 2 329.379 1.894 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893562757 590960845 /nfs/dbraw/zinc/96/08/45/590960845.db2.gz OFUNXIYRINEKMI-MRAWALMUSA-N 1 2 346.383 1.505 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C[N@H+]1C ZINC000893562757 590960848 /nfs/dbraw/zinc/96/08/48/590960848.db2.gz OFUNXIYRINEKMI-MRAWALMUSA-N 1 2 346.383 1.505 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(Cl)n[nH]c2CC)CC1 ZINC000891535154 591111732 /nfs/dbraw/zinc/11/17/32/591111732.db2.gz ASLJKPYQPZYDSL-UHFFFAOYSA-N 1 2 325.844 1.045 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000891606055 591146999 /nfs/dbraw/zinc/14/69/99/591146999.db2.gz KALPXRRYYROGJG-ZDUSSCGKSA-N 1 2 349.818 1.501 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000891606055 591147001 /nfs/dbraw/zinc/14/70/01/591147001.db2.gz KALPXRRYYROGJG-ZDUSSCGKSA-N 1 2 349.818 1.501 20 30 EDEDLO C=CC[N@@H+](Cc1cc(C)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000893968172 591150567 /nfs/dbraw/zinc/15/05/67/591150567.db2.gz DIXWCHKVLNAVLI-AWEZNQCLSA-N 1 2 325.430 1.884 20 30 EDEDLO C=CC[N@H+](Cc1cc(C)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000893968172 591150569 /nfs/dbraw/zinc/15/05/69/591150569.db2.gz DIXWCHKVLNAVLI-AWEZNQCLSA-N 1 2 325.430 1.884 20 30 EDEDLO C#CCC1(O)CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000895670340 591248047 /nfs/dbraw/zinc/24/80/47/591248047.db2.gz QDOYRBRZOFBSIK-UHFFFAOYSA-N 1 2 342.848 1.338 20 30 EDEDLO COc1cc2c(cc1O)CC[N@H+](Cc1cnc3c(C#N)cnn3c1)C2 ZINC000895888116 591297736 /nfs/dbraw/zinc/29/77/36/591297736.db2.gz IUMBQMWPRBJVAV-UHFFFAOYSA-N 1 2 335.367 1.873 20 30 EDEDLO COc1cc2c(cc1O)CC[N@@H+](Cc1cnc3c(C#N)cnn3c1)C2 ZINC000895888116 591297737 /nfs/dbraw/zinc/29/77/37/591297737.db2.gz IUMBQMWPRBJVAV-UHFFFAOYSA-N 1 2 335.367 1.873 20 30 EDEDLO COc1ccc2c(c1)[nH+]ccc2N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC000896404543 591455513 /nfs/dbraw/zinc/45/55/13/591455513.db2.gz WTBFVHLHACLOQG-PXAZEXFGSA-N 1 2 343.408 1.618 20 30 EDEDLO COc1cc2c(cc1C[NH+]1CCN(C(=O)CC#N)CC1)O[C@H](C)C2 ZINC000895068150 591562511 /nfs/dbraw/zinc/56/25/11/591562511.db2.gz LEWAIGHGKHKNOA-CYBMUJFWSA-N 1 2 329.400 1.576 20 30 EDEDLO CC(C)(C/[NH+]=C\c1ccc(O)c(O)c1O)[C@@H]1COCC12OCCO2 ZINC000840709469 591682386 /nfs/dbraw/zinc/68/23/86/591682386.db2.gz DIMMZVUFBXAFFW-CZVDMKNNSA-N 1 2 337.372 1.638 20 30 EDEDLO COCCN(CCC#N)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900562439 592052951 /nfs/dbraw/zinc/05/29/51/592052951.db2.gz XLIMJYDGCDWUPH-UHFFFAOYSA-N 1 2 341.415 1.997 20 30 EDEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccsc2C#N)CC1 ZINC000906674518 592256029 /nfs/dbraw/zinc/25/60/29/592256029.db2.gz YXKLOYDRMRHXFB-UHFFFAOYSA-N 1 2 348.472 1.636 20 30 EDEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccsc2C#N)CC1 ZINC000906674518 592256030 /nfs/dbraw/zinc/25/60/30/592256030.db2.gz YXKLOYDRMRHXFB-UHFFFAOYSA-N 1 2 348.472 1.636 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)nc1 ZINC000906863492 592389271 /nfs/dbraw/zinc/38/92/71/592389271.db2.gz MENUXKVMDGECTI-UHFFFAOYSA-N 1 2 348.453 1.351 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)nc1 ZINC000906863492 592389276 /nfs/dbraw/zinc/38/92/76/592389276.db2.gz 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C=CCN1CCN(C[N@@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)C1=O ZINC000840079331 593126999 /nfs/dbraw/zinc/12/69/99/593126999.db2.gz LTWFOGCEGQMCSN-ZDUSSCGKSA-N 1 2 335.326 1.295 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2CCOC)CC1 ZINC000802488381 593257094 /nfs/dbraw/zinc/25/70/94/593257094.db2.gz LYZJJQVCOKMNKD-UHFFFAOYSA-N 1 2 331.464 1.412 20 30 EDEDLO C[C@H](C#N)OCCON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000802733017 593274233 /nfs/dbraw/zinc/27/42/33/593274233.db2.gz RUBLCFVZMAUGIH-ZBFHGGJFSA-N 1 2 332.404 1.315 20 30 EDEDLO C[C@H](C#N)OCCON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000802733017 593274235 /nfs/dbraw/zinc/27/42/35/593274235.db2.gz RUBLCFVZMAUGIH-ZBFHGGJFSA-N 1 2 332.404 1.315 20 30 EDEDLO COCCOCC[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000808791627 593288250 /nfs/dbraw/zinc/28/82/50/593288250.db2.gz GYJJUBLNUNZSIW-UHFFFAOYSA-N 1 2 330.388 1.015 20 30 EDEDLO COCCOCC[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000808791627 593288251 /nfs/dbraw/zinc/28/82/51/593288251.db2.gz GYJJUBLNUNZSIW-UHFFFAOYSA-N 1 2 330.388 1.015 20 30 EDEDLO Cn1ncc2c1CCC[N@H+](Cn1cc3c(c(C#N)c1=O)CCCC3)C2 ZINC000840173345 593337116 /nfs/dbraw/zinc/33/71/16/593337116.db2.gz AIUJKQDSCAJUCE-UHFFFAOYSA-N 1 2 337.427 1.738 20 30 EDEDLO Cn1ncc2c1CCC[N@@H+](Cn1cc3c(c(C#N)c1=O)CCCC3)C2 ZINC000840173345 593337117 /nfs/dbraw/zinc/33/71/17/593337117.db2.gz AIUJKQDSCAJUCE-UHFFFAOYSA-N 1 2 337.427 1.738 20 30 EDEDLO Cn1ncc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000809995935 593374313 /nfs/dbraw/zinc/37/43/13/593374313.db2.gz YTXMUENEXWFXNB-UHFFFAOYSA-N 1 2 338.371 1.626 20 30 EDEDLO CN(C)C(=O)C[NH+]1CCN(c2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000840239729 593486261 /nfs/dbraw/zinc/48/62/61/593486261.db2.gz UJNNXNJWPJWWSU-UHFFFAOYSA-N 1 2 341.337 1.182 20 30 EDEDLO N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000816854555 593553630 /nfs/dbraw/zinc/55/36/30/593553630.db2.gz OAKGMMQAAONIRT-UHFFFAOYSA-N 1 2 349.398 1.341 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000820192033 593798367 /nfs/dbraw/zinc/79/83/67/593798367.db2.gz VSUUBBUIGVDVLZ-GFCCVEGCSA-N 1 2 331.397 1.698 20 30 EDEDLO C#C[C@H](C)NC(=O)N(C)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000820435235 593818919 /nfs/dbraw/zinc/81/89/19/593818919.db2.gz HBPXRFOLQUTHCP-AWEZNQCLSA-N 1 2 338.452 1.202 20 30 EDEDLO C#CCO[C@@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000822524549 594062050 /nfs/dbraw/zinc/06/20/50/594062050.db2.gz YXZCULWCXSOILG-ZNMIVQPWSA-N 1 2 331.416 1.350 20 30 EDEDLO C=C1CCC(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000831001699 594536257 /nfs/dbraw/zinc/53/62/57/594536257.db2.gz GHOKCLIOIORLJM-KRWDZBQOSA-N 1 2 349.475 1.030 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831486679 594641219 /nfs/dbraw/zinc/64/12/19/594641219.db2.gz XIRHYUXODUTLRK-CYBMUJFWSA-N 1 2 331.395 1.294 20 30 EDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000827417024 594669901 /nfs/dbraw/zinc/66/99/01/594669901.db2.gz REICLMXUOXZNFA-QGZVFWFLSA-N 1 2 346.406 1.067 20 30 EDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000827417024 594669902 /nfs/dbraw/zinc/66/99/02/594669902.db2.gz REICLMXUOXZNFA-QGZVFWFLSA-N 1 2 346.406 1.067 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCc2cc(OC)c(O)c(OC)c2)CC1 ZINC000827519374 594678271 /nfs/dbraw/zinc/67/82/71/594678271.db2.gz MBQXPYNUBXFPDZ-UHFFFAOYSA-N 1 2 332.400 1.119 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)Nc3cccc(C#N)n3)CC2)S1 ZINC000831884947 594709228 /nfs/dbraw/zinc/70/92/28/594709228.db2.gz RGRALOPRQIXZRG-UHFFFAOYSA-N 1 2 344.444 1.984 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)c2[nH+]ccn2CC)c1 ZINC000836627758 594981822 /nfs/dbraw/zinc/98/18/22/594981822.db2.gz OZRPAOLWDITGCP-CYBMUJFWSA-N 1 2 339.399 1.883 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000837019788 595024921 /nfs/dbraw/zinc/02/49/21/595024921.db2.gz BYNKVRBFCUXAPF-RKVPGOIHSA-N 1 2 339.439 1.567 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000837019788 595024923 /nfs/dbraw/zinc/02/49/23/595024923.db2.gz BYNKVRBFCUXAPF-RKVPGOIHSA-N 1 2 339.439 1.567 20 30 EDEDLO C=C[C@H](C)ONC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000845643047 595037537 /nfs/dbraw/zinc/03/75/37/595037537.db2.gz VTMYZBVNPKNCOY-HNNXBMFYSA-N 1 2 349.431 1.703 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@H](c2ccccc2)[NH+]2CCOCC2)C1=O ZINC000842236230 595048492 /nfs/dbraw/zinc/04/84/92/595048492.db2.gz MDSPCDLLMNBOSF-JKSUJKDBSA-N 1 2 327.384 1.004 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccsc2C#N)C1 ZINC000845921638 595096727 /nfs/dbraw/zinc/09/67/27/595096727.db2.gz QCSYSWNDRVUPQD-LLVKDONJSA-N 1 2 336.442 1.922 20 30 EDEDLO CC(C)(C)OC(=O)C(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000844340265 595328279 /nfs/dbraw/zinc/32/82/79/595328279.db2.gz AQKWBNYGFUPURX-UHFFFAOYSA-N 1 2 343.427 1.739 20 30 EDEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000846957258 595342632 /nfs/dbraw/zinc/34/26/32/595342632.db2.gz PGTKJGBRJZZLAQ-CQSZACIVSA-N 1 2 341.333 1.797 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)C1 ZINC000847027655 595352741 /nfs/dbraw/zinc/35/27/41/595352741.db2.gz CBFHFSKLULVAGL-GFCCVEGCSA-N 1 2 325.368 1.967 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)C1 ZINC000847027655 595352743 /nfs/dbraw/zinc/35/27/43/595352743.db2.gz CBFHFSKLULVAGL-GFCCVEGCSA-N 1 2 325.368 1.967 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000847028563 595352910 /nfs/dbraw/zinc/35/29/10/595352910.db2.gz HRGYZBPUJABPNL-DZGCQCFKSA-N 1 2 334.379 1.857 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000847028563 595352914 /nfs/dbraw/zinc/35/29/14/595352914.db2.gz HRGYZBPUJABPNL-DZGCQCFKSA-N 1 2 334.379 1.857 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000844527743 595355135 /nfs/dbraw/zinc/35/51/35/595355135.db2.gz RKANHEHRFXLDHL-GDBMZVCRSA-N 1 2 345.359 1.048 20 30 EDEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000848374839 595370670 /nfs/dbraw/zinc/37/06/70/595370670.db2.gz ZZSSIGTYWNCEOH-BBRMVZONSA-N 1 2 340.383 1.291 20 30 EDEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(N2CCNC2=O)cc1 ZINC000848417029 595375702 /nfs/dbraw/zinc/37/57/02/595375702.db2.gz IFVFKJLFGUSMML-UHFFFAOYSA-N 1 2 326.404 1.817 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CN1C(=O)CC12CCCC2 ZINC000844696256 595375938 /nfs/dbraw/zinc/37/59/38/595375938.db2.gz GTQXQBFMTWZAMF-CQSZACIVSA-N 1 2 340.431 1.361 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CN1C(=O)CC12CCCC2 ZINC000844696256 595375941 /nfs/dbraw/zinc/37/59/41/595375941.db2.gz GTQXQBFMTWZAMF-CQSZACIVSA-N 1 2 340.431 1.361 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000848494327 595395749 /nfs/dbraw/zinc/39/57/49/595395749.db2.gz VESRVSCKEGPWNR-CQSZACIVSA-N 1 2 325.368 1.280 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000848494327 595395751 /nfs/dbraw/zinc/39/57/51/595395751.db2.gz VESRVSCKEGPWNR-CQSZACIVSA-N 1 2 325.368 1.280 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CSCc2ccccc2C(=O)OC)CC1 ZINC000845346899 595482461 /nfs/dbraw/zinc/48/24/61/595482461.db2.gz VKJIHHGJRKLEEL-UHFFFAOYSA-N 1 2 346.452 1.484 20 30 EDEDLO N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000855301373 595666965 /nfs/dbraw/zinc/66/69/65/595666965.db2.gz JUNUFGCEIOYUHZ-BEFAXECRSA-N 1 2 335.411 1.924 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000855301375 595666974 /nfs/dbraw/zinc/66/69/74/595666974.db2.gz JUNUFGCEIOYUHZ-HNAYVOBHSA-N 1 2 335.411 1.924 20 30 EDEDLO N#CC1(CC(=O)O[C@H]2CCC[N@H+](Cc3ncccn3)C2)CCOCC1 ZINC000850996850 595697965 /nfs/dbraw/zinc/69/79/65/595697965.db2.gz VCZOHQZMPYJVSW-HNNXBMFYSA-N 1 2 344.415 1.695 20 30 EDEDLO N#CC1(CC(=O)O[C@H]2CCC[N@@H+](Cc3ncccn3)C2)CCOCC1 ZINC000850996850 595697967 /nfs/dbraw/zinc/69/79/67/595697967.db2.gz VCZOHQZMPYJVSW-HNNXBMFYSA-N 1 2 344.415 1.695 20 30 EDEDLO Cc1ccc(-c2nnc(CO[NH+]=C(N)CN3CCOCC3)o2)cc1 ZINC000111181685 595712110 /nfs/dbraw/zinc/71/21/10/595712110.db2.gz UMEJTBVIQDNPOS-UHFFFAOYSA-N 1 2 331.376 1.166 20 30 EDEDLO Cc1ccc(S(=O)(=O)NN=Cc2c[nH+]c3n2CCC3)cc1[N+](=O)[O-] ZINC000853256935 595721483 /nfs/dbraw/zinc/72/14/83/595721483.db2.gz HBKFPEKJALWTPH-UHFFFAOYSA-N 1 2 349.372 1.358 20 30 EDEDLO CC(=[NH+]Nc1nnc(C)n1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000853433818 595750225 /nfs/dbraw/zinc/75/02/25/595750225.db2.gz TZVSZWXUIDJXKX-UHFFFAOYSA-N 1 2 332.383 1.935 20 30 EDEDLO C=CCCC(C)(C)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000853709637 595860430 /nfs/dbraw/zinc/86/04/30/595860430.db2.gz KEYGNDDTDNOJRR-UHFFFAOYSA-N 1 2 345.509 1.539 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)c1 ZINC000851730979 595900411 /nfs/dbraw/zinc/90/04/11/595900411.db2.gz WGRSSQVXWHVPRV-CGTJXYLNSA-N 1 2 339.439 1.986 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)c1 ZINC000851730979 595900412 /nfs/dbraw/zinc/90/04/12/595900412.db2.gz WGRSSQVXWHVPRV-CGTJXYLNSA-N 1 2 339.439 1.986 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccccn3)CC2)c(F)c1 ZINC000851745921 595905446 /nfs/dbraw/zinc/90/54/46/595905446.db2.gz OEXMEDVTFLLPFT-SFHVURJKSA-N 1 2 326.375 1.948 20 30 EDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000853990915 595943962 /nfs/dbraw/zinc/94/39/62/595943962.db2.gz XPUFWSXONJCVPO-DGCLKSJQSA-N 1 2 348.407 1.310 20 30 EDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000853990915 595943965 /nfs/dbraw/zinc/94/39/65/595943965.db2.gz XPUFWSXONJCVPO-DGCLKSJQSA-N 1 2 348.407 1.310 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000852056264 596025985 /nfs/dbraw/zinc/02/59/85/596025985.db2.gz IITOZQFCTOTKAS-CQSZACIVSA-N 1 2 340.387 1.352 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC4=C(CCC(=O)N4)C3)o2)c1 ZINC000852298886 596116619 /nfs/dbraw/zinc/11/66/19/596116619.db2.gz KPUICIKULGEJJS-UHFFFAOYSA-N 1 2 335.367 1.978 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC4=C(CCC(=O)N4)C3)o2)c1 ZINC000852298886 596116621 /nfs/dbraw/zinc/11/66/21/596116621.db2.gz KPUICIKULGEJJS-UHFFFAOYSA-N 1 2 335.367 1.978 20 30 EDEDLO C#CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C(=O)OC ZINC000861950854 596158986 /nfs/dbraw/zinc/15/89/86/596158986.db2.gz LSHZRONFWYQJTQ-HZPDHXFCSA-N 1 2 348.830 1.986 20 30 EDEDLO C#CC[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C(=O)OC ZINC000861950854 596158989 /nfs/dbraw/zinc/15/89/89/596158989.db2.gz LSHZRONFWYQJTQ-HZPDHXFCSA-N 1 2 348.830 1.986 20 30 EDEDLO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1nc3ccccc3c(=O)n1CC#N)C2 ZINC000852461953 596172265 /nfs/dbraw/zinc/17/22/65/596172265.db2.gz CGEASVQXDAWREH-KDURUIRLSA-N 1 2 338.411 1.778 20 30 EDEDLO C[C@@]12COC[C@]1(C)C[N@H+](Cc1nc3ccccc3c(=O)n1CC#N)C2 ZINC000852461953 596172267 /nfs/dbraw/zinc/17/22/67/596172267.db2.gz CGEASVQXDAWREH-KDURUIRLSA-N 1 2 338.411 1.778 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC(N3CCOC3=O)CC2)c(C#N)c1C ZINC000852722138 596232983 /nfs/dbraw/zinc/23/29/83/596232983.db2.gz BXZYTWCJGOEQFA-UHFFFAOYSA-N 1 2 346.387 1.623 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000862192339 596268268 /nfs/dbraw/zinc/26/82/68/596268268.db2.gz SJUSJRIQSHKCKZ-ZDUSSCGKSA-N 1 2 342.399 1.365 20 30 EDEDLO C#CC[C@@H]1CCN(C(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)C1 ZINC000862571203 596348235 /nfs/dbraw/zinc/34/82/35/596348235.db2.gz QDAQTFYLIILKJG-OAHLLOKOSA-N 1 2 348.468 1.507 20 30 EDEDLO CCNC(=O)c1cccc(NC(=O)CO[NH+]=C(N)c2ccccc2)c1 ZINC000014234740 596394604 /nfs/dbraw/zinc/39/46/04/596394604.db2.gz ZVHHXIQMVHXLIL-UHFFFAOYSA-N 1 2 340.383 1.712 20 30 EDEDLO CC(=[NH+]N[C@H]1CCCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1N ZINC000863135817 596508426 /nfs/dbraw/zinc/50/84/26/596508426.db2.gz PAORTVTVMRGTCU-JTQLQIEISA-N 1 2 326.378 1.068 20 30 EDEDLO N#CCc1cccc2c1CCN(C(=S)NCC[NH+]1CCOCC1)C2 ZINC000863248628 596527516 /nfs/dbraw/zinc/52/75/16/596527516.db2.gz YBLHNFFQQUIUOQ-UHFFFAOYSA-N 1 2 344.484 1.317 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000867751349 596531047 /nfs/dbraw/zinc/53/10/47/596531047.db2.gz IKHMDIKZHLIMFM-OAHLLOKOSA-N 1 2 349.460 1.346 20 30 EDEDLO C[C@@H]1C[N@H+](Cn2cccc(C#N)c2=O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000863302078 596544646 /nfs/dbraw/zinc/54/46/46/596544646.db2.gz IORZMAUONJDTFX-HIFRSBDPSA-N 1 2 331.416 1.977 20 30 EDEDLO C[C@@H]1C[N@@H+](Cn2cccc(C#N)c2=O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000863302078 596544649 /nfs/dbraw/zinc/54/46/49/596544649.db2.gz IORZMAUONJDTFX-HIFRSBDPSA-N 1 2 331.416 1.977 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncc(C(F)(F)F)cc2C)CC1 ZINC000865420196 596569403 /nfs/dbraw/zinc/56/94/03/596569403.db2.gz NWRKGHMLRKJXBK-UHFFFAOYSA-N 1 2 342.365 1.833 20 30 EDEDLO C=C(Cl)C[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)C(=O)OCC ZINC000870028241 596715917 /nfs/dbraw/zinc/71/59/17/596715917.db2.gz FYVOEGRKVDLFGS-VXGBXAGGSA-N 1 2 334.869 1.614 20 30 EDEDLO C=C[C@@H](CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000870064723 596732035 /nfs/dbraw/zinc/73/20/35/596732035.db2.gz DKOBKKROHCGTOV-PKOBYXMFSA-N 1 2 344.455 1.906 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868281454 596762326 /nfs/dbraw/zinc/76/23/26/596762326.db2.gz LCXHJKTURNLVHY-KRWDZBQOSA-N 1 2 342.443 1.435 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868281454 596762327 /nfs/dbraw/zinc/76/23/27/596762327.db2.gz LCXHJKTURNLVHY-KRWDZBQOSA-N 1 2 342.443 1.435 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000868436150 596836713 /nfs/dbraw/zinc/83/67/13/596836713.db2.gz JMVCFHGCTZXASZ-MSOLQXFVSA-N 1 2 347.422 1.999 20 30 EDEDLO COc1ccc(OC)c2c1NC(=O)C2=NNCCCn1cc[nH+]c1 ZINC000872386983 596897111 /nfs/dbraw/zinc/89/71/11/596897111.db2.gz BFZNNKUKHITXOE-UHFFFAOYSA-N 1 2 329.360 1.236 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000876037416 597069852 /nfs/dbraw/zinc/06/98/52/597069852.db2.gz GCGUTZGBAYHDFN-HNNXBMFYSA-N 1 2 348.472 1.208 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000124573143 597313368 /nfs/dbraw/zinc/31/33/68/597313368.db2.gz AKAAPXDXTUJNEW-ZDUSSCGKSA-N 1 2 339.361 1.965 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCO1 ZINC000875195771 597325299 /nfs/dbraw/zinc/32/52/99/597325299.db2.gz VATGYOFZGXYKHB-CXAGYDPISA-N 1 2 328.416 1.045 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCO1 ZINC000875195771 597325304 /nfs/dbraw/zinc/32/53/04/597325304.db2.gz VATGYOFZGXYKHB-CXAGYDPISA-N 1 2 328.416 1.045 20 30 EDEDLO C=CCc1cc(C[NH+]2CCN([S@@](C)(=N)=O)CC2)cc(OC)c1O ZINC000877792886 597557740 /nfs/dbraw/zinc/55/77/40/597557740.db2.gz RYRKLUFYGFLXJN-HSZRJFAPSA-N 1 2 339.461 1.838 20 30 EDEDLO C=CC[C@@H](C(=O)OC)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000877893839 597562427 /nfs/dbraw/zinc/56/24/27/597562427.db2.gz AXDJWJJJNZHLJR-INIZCTEOSA-N 1 2 346.427 1.693 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000878429482 597601104 /nfs/dbraw/zinc/60/11/04/597601104.db2.gz HZFJQTNAHANCCG-MOPGFXCFSA-N 1 2 327.428 1.443 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCN2CCOC[C@H]2C1)c1ccccc1 ZINC000878429482 597601105 /nfs/dbraw/zinc/60/11/05/597601105.db2.gz HZFJQTNAHANCCG-MOPGFXCFSA-N 1 2 327.428 1.443 20 30 EDEDLO Cn1nnnc1CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000878516558 597619427 /nfs/dbraw/zinc/61/94/27/597619427.db2.gz TVBMLKKPDZRAIY-UHFFFAOYSA-N 1 2 331.811 1.100 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000131023731 597655283 /nfs/dbraw/zinc/65/52/83/597655283.db2.gz GBMKPEJKVSTZCA-UHFFFAOYSA-N 1 2 340.431 1.929 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000131023731 597655286 /nfs/dbraw/zinc/65/52/86/597655286.db2.gz GBMKPEJKVSTZCA-UHFFFAOYSA-N 1 2 340.431 1.929 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000884057463 597981649 /nfs/dbraw/zinc/98/16/49/597981649.db2.gz HOOKBNCZSYXYLB-LBPRGKRZSA-N 1 2 328.315 1.351 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1nc2ccccc2s1 ZINC000884059909 597982681 /nfs/dbraw/zinc/98/26/81/597982681.db2.gz IVDLYPZCWKYKDD-NSHDSACASA-N 1 2 333.413 1.402 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000884077039 597987505 /nfs/dbraw/zinc/98/75/05/597987505.db2.gz XGBDEOSLSCYCGA-HZMBPMFUSA-N 1 2 326.343 1.931 20 30 EDEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](CC(=O)OC)C2)cc1 ZINC000929797447 695229675 /nfs/dbraw/zinc/22/96/75/695229675.db2.gz DYQGCORDIASRMT-MRXNPFEDSA-N 1 2 330.384 1.260 20 30 EDEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](CC(=O)OC)C2)cc1 ZINC000929797447 695229676 /nfs/dbraw/zinc/22/96/76/695229676.db2.gz DYQGCORDIASRMT-MRXNPFEDSA-N 1 2 330.384 1.260 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](NC(=O)C3CC3)[C@@H]2C)c1 ZINC000992952808 695474171 /nfs/dbraw/zinc/47/41/71/695474171.db2.gz DFUPMJAGCYLNEG-KBXCAEBGSA-N 1 2 339.439 1.986 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)[C@@H]2C)c1 ZINC000992952808 695474172 /nfs/dbraw/zinc/47/41/72/695474172.db2.gz DFUPMJAGCYLNEG-KBXCAEBGSA-N 1 2 339.439 1.986 20 30 EDEDLO C[C@@H]1CO[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001031858275 700002030 /nfs/dbraw/zinc/00/20/30/700002030.db2.gz UNSOAELSDAQOQS-KSSFIOAISA-N 1 2 330.403 1.650 20 30 EDEDLO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)on1 ZINC000993192372 695767682 /nfs/dbraw/zinc/76/76/82/695767682.db2.gz BUCGIIHRPSCLBK-XHDPSFHLSA-N 1 2 343.387 1.666 20 30 EDEDLO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)on1 ZINC000993192372 695767684 /nfs/dbraw/zinc/76/76/84/695767684.db2.gz BUCGIIHRPSCLBK-XHDPSFHLSA-N 1 2 343.387 1.666 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993219754 695834346 /nfs/dbraw/zinc/83/43/46/695834346.db2.gz WWLQEDLTVPZZLR-BEFAXECRSA-N 1 2 344.459 1.792 20 30 EDEDLO C=CCOc1cccnc1C(=O)NC1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 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C=C1CCC(C(=O)N2CC[C@@H](N(C)C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000939475488 699607716 /nfs/dbraw/zinc/60/77/16/699607716.db2.gz BPRWFTFYEBETML-OAHLLOKOSA-N 1 2 330.432 1.758 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn(C(C)C)c3C)CC2)C1 ZINC000941635764 701601783 /nfs/dbraw/zinc/60/17/83/701601783.db2.gz XMYOTUUYOBRDFM-UHFFFAOYSA-N 1 2 343.475 1.238 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1 ZINC000941656604 701606502 /nfs/dbraw/zinc/60/65/02/701606502.db2.gz CYSHYVWUBUOEQC-UHFFFAOYSA-N 1 2 349.837 1.944 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccn3C(C)C)CC2)C1 ZINC000941670478 701613093 /nfs/dbraw/zinc/61/30/93/701613093.db2.gz UTFYHPNFYCXRKG-UHFFFAOYSA-N 1 2 328.460 1.534 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001031965924 701614157 /nfs/dbraw/zinc/61/41/57/701614157.db2.gz XYQHMRKHZWXZBT-UHFFFAOYSA-N 1 2 348.381 1.935 20 30 EDEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)CC1 ZINC000945503071 700379710 /nfs/dbraw/zinc/37/97/10/700379710.db2.gz UCRQQUAYTROKOY-DOTOQJQBSA-N 1 2 344.459 1.983 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3csnn3)C2)c1 ZINC001031882489 700555369 /nfs/dbraw/zinc/55/53/69/700555369.db2.gz VGEXLHPICWOXGA-UHFFFAOYSA-N 1 2 331.376 1.411 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nnc(C)o2)CC1(C)C ZINC000941039471 701061673 /nfs/dbraw/zinc/06/16/73/701061673.db2.gz QPKOBRGAZXHFEW-QLFBSQMISA-N 1 2 348.447 1.686 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nnc(C)o2)CC1(C)C ZINC000941039471 701061674 /nfs/dbraw/zinc/06/16/74/701061674.db2.gz QPKOBRGAZXHFEW-QLFBSQMISA-N 1 2 348.447 1.686 20 30 EDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941067300 701115373 /nfs/dbraw/zinc/11/53/73/701115373.db2.gz AGQFCIFRIIQIIJ-CABCVRRESA-N 1 2 340.489 1.051 20 30 EDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941067300 701115375 /nfs/dbraw/zinc/11/53/75/701115375.db2.gz AGQFCIFRIIQIIJ-CABCVRRESA-N 1 2 340.489 1.051 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000941142588 701202962 /nfs/dbraw/zinc/20/29/62/701202962.db2.gz VWPALLZTDJBAEL-MRXNPFEDSA-N 1 2 338.415 1.621 20 30 EDEDLO Cc1ccc(F)cc1C[NH+]1CC(N2CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC000941349609 701483730 /nfs/dbraw/zinc/48/37/30/701483730.db2.gz ZRMXBSNJZBMGAJ-OAHLLOKOSA-N 1 2 344.434 1.622 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000941390502 701500604 /nfs/dbraw/zinc/50/06/04/701500604.db2.gz ZMRTUBGTCPGXLA-UHFFFAOYSA-N 1 2 341.415 1.245 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[C@H](OC)C3)CC2)C1 ZINC000941427484 701526222 /nfs/dbraw/zinc/52/62/22/701526222.db2.gz AZPXKWXOAKGGIM-AEFFLSMTSA-N 1 2 333.476 1.043 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3C4CC5CC(C4)CC3C5)CC2)C1 ZINC000941438020 701540738 /nfs/dbraw/zinc/54/07/38/701540738.db2.gz IHZUGTHHEDCFNI-UHFFFAOYSA-N 1 2 341.499 1.520 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccncc3CC)CC2)C1 ZINC000941468084 701549129 /nfs/dbraw/zinc/54/91/29/701549129.db2.gz MBRFXNQMYVLHMK-UHFFFAOYSA-N 1 2 326.444 1.109 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000941842133 701913920 /nfs/dbraw/zinc/91/39/20/701913920.db2.gz FEXCNYFRPCHTRI-HUUCEWRRSA-N 1 2 344.459 1.797 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047462 702014827 /nfs/dbraw/zinc/01/48/27/702014827.db2.gz SBKXKWAWFZIUQJ-BBRMVZONSA-N 1 2 338.415 1.246 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047462 702014836 /nfs/dbraw/zinc/01/48/36/702014836.db2.gz SBKXKWAWFZIUQJ-BBRMVZONSA-N 1 2 338.415 1.246 20 30 EDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](NCC#N)C(C)(C)C1 ZINC000995813068 702062924 /nfs/dbraw/zinc/06/29/24/702062924.db2.gz NPMAXFIEDUFBAU-BZUAXINKSA-N 1 2 341.459 1.504 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)s1 ZINC000941969041 702230992 /nfs/dbraw/zinc/23/09/92/702230992.db2.gz ZXKLWSZWVLABLT-GXFFZTMASA-N 1 2 344.444 1.687 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)s1 ZINC000941969041 702230995 /nfs/dbraw/zinc/23/09/95/702230995.db2.gz ZXKLWSZWVLABLT-GXFFZTMASA-N 1 2 344.444 1.687 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cnns2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941962608 702247543 /nfs/dbraw/zinc/24/75/43/702247543.db2.gz GDKHIDNAMUNOGT-QMTHXVAHSA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cnns2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941962608 702247546 /nfs/dbraw/zinc/24/75/46/702247546.db2.gz GDKHIDNAMUNOGT-QMTHXVAHSA-N 1 2 330.417 1.378 20 30 EDEDLO Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1 ZINC000941964828 702255839 /nfs/dbraw/zinc/25/58/39/702255839.db2.gz UKESIJIZIGPZKL-YGRLFVJLSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nonc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1 ZINC000941964828 702255844 /nfs/dbraw/zinc/25/58/44/702255844.db2.gz UKESIJIZIGPZKL-YGRLFVJLSA-N 1 2 328.376 1.218 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cnns2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965837 702260088 /nfs/dbraw/zinc/26/00/88/702260088.db2.gz CXGWJUYIOFZTEE-MFKMUULPSA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cnns2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965837 702260092 /nfs/dbraw/zinc/26/00/92/702260092.db2.gz CXGWJUYIOFZTEE-MFKMUULPSA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000942217038 702719583 /nfs/dbraw/zinc/71/95/83/702719583.db2.gz VESKDTAYFWDGCU-XHDPSFHLSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000942217038 702719585 /nfs/dbraw/zinc/71/95/85/702719585.db2.gz VESKDTAYFWDGCU-XHDPSFHLSA-N 1 2 342.378 1.456 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942216172 702730845 /nfs/dbraw/zinc/73/08/45/702730845.db2.gz KLSXHCSHJMPRGV-WPRPVWTQSA-N 1 2 328.214 1.154 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942216172 702730847 /nfs/dbraw/zinc/73/08/47/702730847.db2.gz KLSXHCSHJMPRGV-WPRPVWTQSA-N 1 2 328.214 1.154 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc2nsnc21 ZINC001032316936 702995626 /nfs/dbraw/zinc/99/56/26/702995626.db2.gz KPFLYRZXPQABML-DRZSPHRISA-N 1 2 327.413 1.636 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc2nsnc21 ZINC001032316936 702995627 /nfs/dbraw/zinc/99/56/27/702995627.db2.gz KPFLYRZXPQABML-DRZSPHRISA-N 1 2 327.413 1.636 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCn2cc(Cl)cn2)c1 ZINC001032339376 703157936 /nfs/dbraw/zinc/15/79/36/703157936.db2.gz LXODVTNVQCFPFA-KBPBESRZSA-N 1 2 344.806 1.335 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCn2cc(Cl)cn2)c1 ZINC001032339376 703157938 /nfs/dbraw/zinc/15/79/38/703157938.db2.gz LXODVTNVQCFPFA-KBPBESRZSA-N 1 2 344.806 1.335 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc3n(n2)CCC3)c1 ZINC001032436080 703603799 /nfs/dbraw/zinc/60/37/99/703603799.db2.gz QOSPBWTWMVAADJ-ROUUACIJSA-N 1 2 347.422 1.800 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc3n(n2)CCC3)c1 ZINC001032436080 703603801 /nfs/dbraw/zinc/60/38/01/703603801.db2.gz QOSPBWTWMVAADJ-ROUUACIJSA-N 1 2 347.422 1.800 20 30 EDEDLO C#CC[C@H](CO)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000921589537 703630675 /nfs/dbraw/zinc/63/06/75/703630675.db2.gz MSLLRFSVKWYMLE-AEFFLSMTSA-N 1 2 340.427 1.925 20 30 EDEDLO CN(C)c1ccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)nc1 ZINC001032214341 704013183 /nfs/dbraw/zinc/01/31/83/704013183.db2.gz YSVJDGGTDDXZNK-UHFFFAOYSA-N 1 2 349.438 1.881 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001033120123 704450155 /nfs/dbraw/zinc/45/01/55/704450155.db2.gz NSUMPQYWFQBIAU-KGLIPLIRSA-N 1 2 327.856 1.529 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC001033120123 704450156 /nfs/dbraw/zinc/45/01/56/704450156.db2.gz NSUMPQYWFQBIAU-KGLIPLIRSA-N 1 2 327.856 1.529 20 30 EDEDLO Cc1nonc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032225131 704781104 /nfs/dbraw/zinc/78/11/04/704781104.db2.gz YBBMSZMIWCXKIY-UHFFFAOYSA-N 1 2 329.335 1.251 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccnc2C)c1 ZINC001032617551 705648128 /nfs/dbraw/zinc/64/81/28/705648128.db2.gz HIQVJAUZTZYSFF-OALUTQOASA-N 1 2 332.407 1.865 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccnc2C)c1 ZINC001032617551 705648130 /nfs/dbraw/zinc/64/81/30/705648130.db2.gz HIQVJAUZTZYSFF-OALUTQOASA-N 1 2 332.407 1.865 20 30 EDEDLO Cn1ncc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)n1 ZINC001032631440 705766920 /nfs/dbraw/zinc/76/69/20/705766920.db2.gz PCKVAUILZHMTOC-OALUTQOASA-N 1 2 349.438 1.085 20 30 EDEDLO Cn1ncc(CCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#Cc2ccccc2)n1 ZINC001032631440 705766922 /nfs/dbraw/zinc/76/69/22/705766922.db2.gz PCKVAUILZHMTOC-OALUTQOASA-N 1 2 349.438 1.085 20 30 EDEDLO C=C1CCC(C(=O)NC2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000999107846 706535941 /nfs/dbraw/zinc/53/59/41/706535941.db2.gz JFMLAXGBEREFQX-ZDUSSCGKSA-N 1 2 330.432 1.662 20 30 EDEDLO C=C1CCC(C(=O)NC2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000999107846 706535943 /nfs/dbraw/zinc/53/59/43/706535943.db2.gz JFMLAXGBEREFQX-ZDUSSCGKSA-N 1 2 330.432 1.662 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999357496 706847791 /nfs/dbraw/zinc/84/77/91/706847791.db2.gz FNXAHDVLHHDUGA-AWEZNQCLSA-N 1 2 329.404 1.760 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2noc(CC)n2)C1 ZINC000999540547 707041660 /nfs/dbraw/zinc/04/16/60/707041660.db2.gz XTNFIERVLJSSPK-QKRUXVEJSA-N 1 2 348.447 1.692 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033312382 707469419 /nfs/dbraw/zinc/46/94/19/707469419.db2.gz PCKOMUPYAUFIRU-ZDUSSCGKSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033312382 707469423 /nfs/dbraw/zinc/46/94/23/707469423.db2.gz PCKOMUPYAUFIRU-ZDUSSCGKSA-N 1 2 345.403 1.895 20 30 EDEDLO C=CCC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001061593801 707620307 /nfs/dbraw/zinc/62/03/07/707620307.db2.gz SGQUASSPZAMTPL-CQSZACIVSA-N 1 2 348.447 1.207 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2csc(=O)[nH]2)C1 ZINC001033346977 707629944 /nfs/dbraw/zinc/62/99/44/707629944.db2.gz URTJCJGNOJNRMV-VIFPVBQESA-N 1 2 346.250 1.904 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2csc(=O)[nH]2)C1 ZINC001033346977 707629947 /nfs/dbraw/zinc/62/99/47/707629947.db2.gz URTJCJGNOJNRMV-VIFPVBQESA-N 1 2 346.250 1.904 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001033433928 707824355 /nfs/dbraw/zinc/82/43/55/707824355.db2.gz YVJXNCIKEFXBEA-OAGGEKHMSA-N 1 2 346.431 1.109 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(OC)nn2)C1 ZINC001033433928 707824356 /nfs/dbraw/zinc/82/43/56/707824356.db2.gz YVJXNCIKEFXBEA-OAGGEKHMSA-N 1 2 346.431 1.109 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001033489852 707984093 /nfs/dbraw/zinc/98/40/93/707984093.db2.gz CJJAXNRRALKOKI-KMFMINBZSA-N 1 2 349.431 1.697 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001033489852 707984096 /nfs/dbraw/zinc/98/40/96/707984096.db2.gz CJJAXNRRALKOKI-KMFMINBZSA-N 1 2 349.431 1.697 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](C)[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001005197808 708173183 /nfs/dbraw/zinc/17/31/83/708173183.db2.gz LZFIRJNPQFOWDX-KBPBESRZSA-N 1 2 330.432 1.662 20 30 EDEDLO CN(C(=O)c1ccn(C)n1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033656199 708425306 /nfs/dbraw/zinc/42/53/06/708425306.db2.gz NRSGOBZTRUBAER-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1ccn(C)n1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033656199 708425308 /nfs/dbraw/zinc/42/53/08/708425308.db2.gz NRSGOBZTRUBAER-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001033659030 708470583 /nfs/dbraw/zinc/47/05/83/708470583.db2.gz JSVLSLBAHWAFQO-ZDUSSCGKSA-N 1 2 338.839 1.627 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 ZINC001033659030 708470585 /nfs/dbraw/zinc/47/05/85/708470585.db2.gz JSVLSLBAHWAFQO-ZDUSSCGKSA-N 1 2 338.839 1.627 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3nnc(C)[nH]3)CC2)cn1 ZINC001002057735 708590147 /nfs/dbraw/zinc/59/01/47/708590147.db2.gz NZLUMKCNKPJJAS-UHFFFAOYSA-N 1 2 338.415 1.131 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001061093229 709006274 /nfs/dbraw/zinc/00/62/74/709006274.db2.gz BEMYYCMTQOTCLS-MRXNPFEDSA-N 1 2 344.459 1.936 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001061096637 709041216 /nfs/dbraw/zinc/04/12/16/709041216.db2.gz VVHNBNOHFIMJLC-OLZOCXBDSA-N 1 2 325.376 1.084 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)c3[nH]nc(C)c3C)CC2)C1=O ZINC001002491626 709044858 /nfs/dbraw/zinc/04/48/58/709044858.db2.gz DHFXKQZVLRHRAM-OAHLLOKOSA-N 1 2 345.447 1.008 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001033940464 709146360 /nfs/dbraw/zinc/14/63/60/709146360.db2.gz MJOSFORLKFXCRI-QWHCGFSZSA-N 1 2 337.855 1.900 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001033940464 709146363 /nfs/dbraw/zinc/14/63/63/709146363.db2.gz MJOSFORLKFXCRI-QWHCGFSZSA-N 1 2 337.855 1.900 20 30 EDEDLO CCn1ccnc1C[NH+]1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC001002626816 709201359 /nfs/dbraw/zinc/20/13/59/709201359.db2.gz NXKQQTMDUYNJEI-UHFFFAOYSA-N 1 2 326.404 1.497 20 30 EDEDLO N#Cc1cnc(N[C@H]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001061135976 709343182 /nfs/dbraw/zinc/34/31/82/709343182.db2.gz JIPXCAQFNUXQQW-NWDGAFQWSA-N 1 2 325.376 1.153 20 30 EDEDLO O=C(N[C@@H]1CCCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cnon1 ZINC001034449712 710051753 /nfs/dbraw/zinc/05/17/53/710051753.db2.gz GLILPUXFUZJLPM-MRXNPFEDSA-N 1 2 342.374 1.845 20 30 EDEDLO O=C(N[C@@H]1CCCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cnon1 ZINC001034449712 710051757 /nfs/dbraw/zinc/05/17/57/710051757.db2.gz GLILPUXFUZJLPM-MRXNPFEDSA-N 1 2 342.374 1.845 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1noc(-c2ccccc2)n1 ZINC001034880208 711279342 /nfs/dbraw/zinc/27/93/42/711279342.db2.gz UPWFKSHHFIIMAV-UKRRQHHQSA-N 1 2 339.399 1.977 20 30 EDEDLO COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)sn1 ZINC001033021808 711339994 /nfs/dbraw/zinc/33/99/94/711339994.db2.gz JFKWAVBICZEBPW-GFCCVEGCSA-N 1 2 345.428 1.698 20 30 EDEDLO COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)sn1 ZINC001033021808 711339999 /nfs/dbraw/zinc/33/99/99/711339999.db2.gz JFKWAVBICZEBPW-GFCCVEGCSA-N 1 2 345.428 1.698 20 30 EDEDLO CC(C)(C)c1noc(C[NH2+]C[C@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC001034935037 711362317 /nfs/dbraw/zinc/36/23/17/711362317.db2.gz GGZNNLPTWDKUGQ-CQSZACIVSA-N 1 2 330.432 1.861 20 30 EDEDLO C=CCCC(=O)NC[C@H]1COCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001061401996 711517466 /nfs/dbraw/zinc/51/74/66/711517466.db2.gz PJKCUEANVOOYMH-AWEZNQCLSA-N 1 2 342.399 1.486 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)cn2)CC1 ZINC001004469051 711845074 /nfs/dbraw/zinc/84/50/74/711845074.db2.gz LJOCKWLFGARNCZ-QGZVFWFLSA-N 1 2 330.407 1.990 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2ccc(F)cn2)CC1 ZINC001004469051 711845077 /nfs/dbraw/zinc/84/50/77/711845077.db2.gz LJOCKWLFGARNCZ-QGZVFWFLSA-N 1 2 330.407 1.990 20 30 EDEDLO CCc1c(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)nnn1CC ZINC001004548591 711959026 /nfs/dbraw/zinc/95/90/26/711959026.db2.gz SARHFHPZQUTKLK-MRXNPFEDSA-N 1 2 344.463 1.701 20 30 EDEDLO CCc1c(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)nnn1CC ZINC001004548591 711959030 /nfs/dbraw/zinc/95/90/30/711959030.db2.gz SARHFHPZQUTKLK-MRXNPFEDSA-N 1 2 344.463 1.701 20 30 EDEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC[C@@H]2C1 ZINC000946649041 712174398 /nfs/dbraw/zinc/17/43/98/712174398.db2.gz JRIYUSLNFBTVMU-HRCADAONSA-N 1 2 327.432 1.139 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(C#N)cc2OC)CCO1 ZINC000559018891 306249343 /nfs/dbraw/zinc/24/93/43/306249343.db2.gz JDSLYPYOOKSDEM-AWEZNQCLSA-N 1 2 332.404 1.799 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(C#N)cc2OC)CCO1 ZINC000559018891 306249344 /nfs/dbraw/zinc/24/93/44/306249344.db2.gz JDSLYPYOOKSDEM-AWEZNQCLSA-N 1 2 332.404 1.799 20 30 EDEDLO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CCCc4[nH]ncc43)CC2)C1=O ZINC000329163235 539418179 /nfs/dbraw/zinc/41/81/79/539418179.db2.gz GJQGUUZOYAVJGP-BBRMVZONSA-N 1 2 345.447 1.481 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000329378651 539433407 /nfs/dbraw/zinc/43/34/07/539433407.db2.gz PDCYBKQFDWYEFF-INIZCTEOSA-N 1 2 345.447 1.151 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000329378651 539433412 /nfs/dbraw/zinc/43/34/12/539433412.db2.gz PDCYBKQFDWYEFF-INIZCTEOSA-N 1 2 345.447 1.151 20 30 EDEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCCS(=O)(=O)CC2)c1 ZINC000329466939 539438804 /nfs/dbraw/zinc/43/88/04/539438804.db2.gz VVHLBLYGHMOPDE-UHFFFAOYSA-N 1 2 348.428 1.753 20 30 EDEDLO O=C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000329554592 539443523 /nfs/dbraw/zinc/44/35/23/539443523.db2.gz BIKITJMYHQBADK-CQSZACIVSA-N 1 2 333.388 1.410 20 30 EDEDLO O=C(C[N@H+]1CC[C@@H](N2CCOCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000329554592 539443527 /nfs/dbraw/zinc/44/35/27/539443527.db2.gz BIKITJMYHQBADK-CQSZACIVSA-N 1 2 333.388 1.410 20 30 EDEDLO O=C(CN1CC[C@@H]([NH+]2CCOCC2)C1)Nc1ccc2c(c1)OCO2 ZINC000329554592 539443529 /nfs/dbraw/zinc/44/35/29/539443529.db2.gz BIKITJMYHQBADK-CQSZACIVSA-N 1 2 333.388 1.410 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C)nn(C)c2C)C[C@@]2(CCOC2)O1 ZINC000330088598 539495236 /nfs/dbraw/zinc/49/52/36/539495236.db2.gz UYMAQCMVOMYJRX-RHSMWYFYSA-N 1 2 336.436 1.895 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C)nn(C)c2C)C[C@@]2(CCOC2)O1 ZINC000330088598 539495240 /nfs/dbraw/zinc/49/52/40/539495240.db2.gz UYMAQCMVOMYJRX-RHSMWYFYSA-N 1 2 336.436 1.895 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000365923113 283112007 /nfs/dbraw/zinc/11/20/07/283112007.db2.gz ZPMRFLRYZNPHQO-MRXNPFEDSA-N 1 2 343.387 1.257 20 30 EDEDLO CNC(=O)c1cccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000072958023 138212409 /nfs/dbraw/zinc/21/24/09/138212409.db2.gz IXNHFCCWLQOCBT-UHFFFAOYSA-N 1 2 335.411 1.635 20 30 EDEDLO CCCN1C(=O)CC[C@H](C(=O)N(C)C[C@H](C)C#N)[C@H]1c1c[nH+]cn1C ZINC000355038242 283312263 /nfs/dbraw/zinc/31/22/63/283312263.db2.gz NALBQXITMRJKMT-KEYYUXOJSA-N 1 2 345.447 1.728 20 30 EDEDLO N#CCCC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000125926511 237168199 /nfs/dbraw/zinc/16/81/99/237168199.db2.gz PMTYRZKJEBSOKG-UHFFFAOYSA-N 1 2 333.417 1.173 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H](c2ccccc2)C1 ZINC000245198087 139070847 /nfs/dbraw/zinc/07/08/47/139070847.db2.gz AITCEFFTPOLMLY-QGZVFWFLSA-N 1 2 342.424 1.631 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H](c2ccccc2)C1 ZINC000245198087 139070848 /nfs/dbraw/zinc/07/08/48/139070848.db2.gz AITCEFFTPOLMLY-QGZVFWFLSA-N 1 2 342.424 1.631 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246545050 139112210 /nfs/dbraw/zinc/11/22/10/139112210.db2.gz JWMLKOITHIUDCN-CHWSQXEVSA-N 1 2 332.429 1.691 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246545050 139112211 /nfs/dbraw/zinc/11/22/11/139112211.db2.gz JWMLKOITHIUDCN-CHWSQXEVSA-N 1 2 332.429 1.691 20 30 EDEDLO C#CC[N@@H+](CC)CC(=O)N(CCC)CC(=O)Nc1ccccc1OC ZINC000266901449 249351015 /nfs/dbraw/zinc/35/10/15/249351015.db2.gz GTIRBAZOYZUTAD-UHFFFAOYSA-N 1 2 345.443 1.827 20 30 EDEDLO C#CC[N@H+](CC)CC(=O)N(CCC)CC(=O)Nc1ccccc1OC ZINC000266901449 249351016 /nfs/dbraw/zinc/35/10/16/249351016.db2.gz GTIRBAZOYZUTAD-UHFFFAOYSA-N 1 2 345.443 1.827 20 30 EDEDLO CCN(CCC#N)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000266887112 249351136 /nfs/dbraw/zinc/35/11/36/249351136.db2.gz BNQFDXLIYNXGMS-UHFFFAOYSA-N 1 2 344.459 1.575 20 30 EDEDLO CCCOc1cccc(CNC(=O)CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000283859804 249582099 /nfs/dbraw/zinc/58/20/99/249582099.db2.gz CGPRXBKGFWNIIV-OAHLLOKOSA-N 1 2 335.404 1.559 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000341858157 250001161 /nfs/dbraw/zinc/00/11/61/250001161.db2.gz GHDOOMYYPSBGRL-CQSZACIVSA-N 1 2 332.379 1.995 20 30 EDEDLO COCC1(C#N)CC[NH+](Cc2nc3ccccc3c(=O)n2C)CC1 ZINC000341986879 250005506 /nfs/dbraw/zinc/00/55/06/250005506.db2.gz FZWMBQQVWPABLB-UHFFFAOYSA-N 1 2 326.400 1.686 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000353728261 250083789 /nfs/dbraw/zinc/08/37/89/250083789.db2.gz NOLMAVWCAGUCDQ-AWEZNQCLSA-N 1 2 342.447 1.995 20 30 EDEDLO C=C(C)[C@@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1)OCC ZINC000371057572 250211145 /nfs/dbraw/zinc/21/11/45/250211145.db2.gz XFEXBWTXANUACI-AEFFLSMTSA-N 1 2 340.464 1.355 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(c3cc(C4(C)CC4)[nH]n3)CC2)C1=O ZINC000374829755 250273944 /nfs/dbraw/zinc/27/39/44/250273944.db2.gz PDUPOUOWJVIBEG-AWEZNQCLSA-N 1 2 329.448 1.370 20 30 EDEDLO Cc1ncccc1O[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000375967240 250282749 /nfs/dbraw/zinc/28/27/49/250282749.db2.gz HGGCRRZROPWOLW-MAUKXSAKSA-N 1 2 330.432 1.898 20 30 EDEDLO Cc1ncccc1O[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000375967240 250282753 /nfs/dbraw/zinc/28/27/53/250282753.db2.gz HGGCRRZROPWOLW-MAUKXSAKSA-N 1 2 330.432 1.898 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000377326060 250289139 /nfs/dbraw/zinc/28/91/39/250289139.db2.gz ZMLDLVVRXAFRIW-IRXDYDNUSA-N 1 2 330.407 1.112 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000377326060 250289140 /nfs/dbraw/zinc/28/91/40/250289140.db2.gz ZMLDLVVRXAFRIW-IRXDYDNUSA-N 1 2 330.407 1.112 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000377840090 250294112 /nfs/dbraw/zinc/29/41/12/250294112.db2.gz PJQZMMVXQBOZAR-UONOGXRCSA-N 1 2 329.466 1.099 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000377840090 250294115 /nfs/dbraw/zinc/29/41/15/250294115.db2.gz PJQZMMVXQBOZAR-UONOGXRCSA-N 1 2 329.466 1.099 20 30 EDEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccccc2OCC(=O)OC)nn1 ZINC000424295113 252192388 /nfs/dbraw/zinc/19/23/88/252192388.db2.gz MFOWPWOMFTZZAL-CYBMUJFWSA-N 1 2 330.388 1.867 20 30 EDEDLO COc1ccnc(N2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)n1 ZINC000179658883 533067789 /nfs/dbraw/zinc/06/77/89/533067789.db2.gz GHPYZSGAZWMYOJ-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO N#Cc1ncn(-c2ccccc2NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n1 ZINC000426799512 254497805 /nfs/dbraw/zinc/49/78/05/254497805.db2.gz LHXQYGXHVJHDRK-GFCCVEGCSA-N 1 2 333.355 1.537 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2c(OC)cccc2SC)CC1 ZINC000491387485 255124940 /nfs/dbraw/zinc/12/49/40/255124940.db2.gz YDSWBXGSVDFGCI-UHFFFAOYSA-N 1 2 333.457 1.606 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)O[C@H](c3ccccc3)C2)CC1 ZINC000490778667 255106387 /nfs/dbraw/zinc/10/63/87/255106387.db2.gz IMIMLUVBHPJOOR-MJGOQNOKSA-N 1 2 341.455 1.226 20 30 EDEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)c1 ZINC000490971930 255113845 /nfs/dbraw/zinc/11/38/45/255113845.db2.gz DWSYQYIZFZIIKG-CQSZACIVSA-N 1 2 346.412 1.202 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)N2CCS(=O)(=O)C(CC)(CC)C2)CC1 ZINC000491037473 255114941 /nfs/dbraw/zinc/11/49/41/255114941.db2.gz DPMRGUMPHYPDPV-UHFFFAOYSA-N 1 2 340.489 1.147 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(-c3cncnc3)cc2)CC1 ZINC000491668278 255137982 /nfs/dbraw/zinc/13/79/82/255137982.db2.gz YZVLIGMZYPNQFQ-UHFFFAOYSA-N 1 2 335.411 1.333 20 30 EDEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000491813493 255149099 /nfs/dbraw/zinc/14/90/99/255149099.db2.gz HQORKBOQPYCDTC-INIZCTEOSA-N 1 2 345.443 1.943 20 30 EDEDLO N#Cc1cccc(/C=C\C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)c1 ZINC000492210531 255162337 /nfs/dbraw/zinc/16/23/37/255162337.db2.gz ZFMFZDFYTFZKRA-CHYADLBTSA-N 1 2 339.395 1.468 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2c(C)cc(Cl)cc2C#N)CC1 ZINC000491627348 255133532 /nfs/dbraw/zinc/13/35/32/255133532.db2.gz MEZFFFDRDVBJFB-UHFFFAOYSA-N 1 2 331.803 1.676 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2ccccc2F)n1 ZINC000491626546 255133810 /nfs/dbraw/zinc/13/38/10/255133810.db2.gz KCDMWROGNVRPCU-SFHVURJKSA-N 1 2 331.391 1.837 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2ccccc2F)n1 ZINC000491626546 255133812 /nfs/dbraw/zinc/13/38/12/255133812.db2.gz KCDMWROGNVRPCU-SFHVURJKSA-N 1 2 331.391 1.837 20 30 EDEDLO Cc1ncccc1/C=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000493446847 255208709 /nfs/dbraw/zinc/20/87/09/255208709.db2.gz DDBMULHWANQMHI-AATRIKPKSA-N 1 2 328.416 1.478 20 30 EDEDLO CCOC(=O)N1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000493872759 255224169 /nfs/dbraw/zinc/22/41/69/255224169.db2.gz IHHHTFDDXSIMFB-PBHICJAKSA-N 1 2 338.452 1.594 20 30 EDEDLO CCOC(=O)N1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000493872759 255224170 /nfs/dbraw/zinc/22/41/70/255224170.db2.gz IHHHTFDDXSIMFB-PBHICJAKSA-N 1 2 338.452 1.594 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(CN2CCOC2=O)cc1 ZINC000496273858 255373332 /nfs/dbraw/zinc/37/33/32/255373332.db2.gz JYAHWWNHQIPBBG-MRXNPFEDSA-N 1 2 332.404 1.257 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(CN2CCOC2=O)cc1 ZINC000496273858 255373333 /nfs/dbraw/zinc/37/33/33/255373333.db2.gz JYAHWWNHQIPBBG-MRXNPFEDSA-N 1 2 332.404 1.257 20 30 EDEDLO COC[C@@H]1C[C@H](OC)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000344363567 285312255 /nfs/dbraw/zinc/31/22/55/285312255.db2.gz ZQSBGEPRAQQKSG-GJZGRUSLSA-N 1 2 338.429 1.068 20 30 EDEDLO COC[C@@H]1C[C@H](OC)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000344363567 285312256 /nfs/dbraw/zinc/31/22/56/285312256.db2.gz ZQSBGEPRAQQKSG-GJZGRUSLSA-N 1 2 338.429 1.068 20 30 EDEDLO N#Cc1cccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c1F ZINC000332312526 141160656 /nfs/dbraw/zinc/16/06/56/141160656.db2.gz TWKRMAIKRFYLIX-UHFFFAOYSA-N 1 2 330.407 1.437 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000340363664 142360366 /nfs/dbraw/zinc/36/03/66/142360366.db2.gz KPGBWRFNCTXRTH-QGZVFWFLSA-N 1 2 328.416 1.217 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000340363664 142360367 /nfs/dbraw/zinc/36/03/67/142360367.db2.gz KPGBWRFNCTXRTH-QGZVFWFLSA-N 1 2 328.416 1.217 20 30 EDEDLO N#Cc1ccncc1C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000345170025 143060654 /nfs/dbraw/zinc/06/06/54/143060654.db2.gz PGYNJJHAVZIBRC-UHFFFAOYSA-N 1 2 349.394 1.010 20 30 EDEDLO C[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1CCO ZINC000345225916 143066757 /nfs/dbraw/zinc/06/67/57/143066757.db2.gz ZGMUHXRRLKEATP-ZDUSSCGKSA-N 1 2 340.383 1.352 20 30 EDEDLO C[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1CCO ZINC000345225916 143066758 /nfs/dbraw/zinc/06/67/58/143066758.db2.gz ZGMUHXRRLKEATP-ZDUSSCGKSA-N 1 2 340.383 1.352 20 30 EDEDLO N#Cc1cc(Br)ccc1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347290137 143304357 /nfs/dbraw/zinc/30/43/57/143304357.db2.gz MADPJKGQCOSLEM-ZIAGYGMSSA-N 1 2 325.206 1.638 20 30 EDEDLO CCNC(=O)COc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352842548 149186955 /nfs/dbraw/zinc/18/69/55/149186955.db2.gz OXVSNSVHGZGKLF-UHFFFAOYSA-N 1 2 330.413 1.819 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@H](F)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000353332913 149368436 /nfs/dbraw/zinc/36/84/36/149368436.db2.gz RADCADJXDGDYON-KGLIPLIRSA-N 1 2 345.378 1.834 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@H](F)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000353332913 149368438 /nfs/dbraw/zinc/36/84/38/149368438.db2.gz RADCADJXDGDYON-KGLIPLIRSA-N 1 2 345.378 1.834 20 30 EDEDLO N#Cc1cccc(N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)n1 ZINC000355114664 150122672 /nfs/dbraw/zinc/12/26/72/150122672.db2.gz INBRJSNPCHECLQ-UHFFFAOYSA-N 1 2 339.403 1.072 20 30 EDEDLO Cc1nsc(N2CCN(c3nc(C)[nH+]c(N(C)C)n3)CC2)c1C#N ZINC000357587722 151076504 /nfs/dbraw/zinc/07/65/04/151076504.db2.gz UXEYNMSLWXHXKP-UHFFFAOYSA-N 1 2 344.448 1.209 20 30 EDEDLO Cc1nsc(N2CCN(c3nc(N(C)C)nc(C)[nH+]3)CC2)c1C#N ZINC000357587722 151076506 /nfs/dbraw/zinc/07/65/06/151076506.db2.gz UXEYNMSLWXHXKP-UHFFFAOYSA-N 1 2 344.448 1.209 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357752202 151138518 /nfs/dbraw/zinc/13/85/18/151138518.db2.gz IZQBVIXFQRWERE-CQSZACIVSA-N 1 2 338.415 1.426 20 30 EDEDLO COc1cc(CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)ccc1C#N ZINC000360643731 152136182 /nfs/dbraw/zinc/13/61/82/152136182.db2.gz CRLFQFKIIZAPPS-AWEZNQCLSA-N 1 2 346.431 1.429 20 30 EDEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2CCC[C@H]2NS(C)(=O)=O)c1 ZINC000129380230 286337690 /nfs/dbraw/zinc/33/76/90/286337690.db2.gz FEOHMLCYZKCVBW-MDHSVXEESA-N 1 2 326.418 1.538 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(OCC3CC3)CC2)nc1 ZINC000368007321 154365958 /nfs/dbraw/zinc/36/59/58/154365958.db2.gz FCRDKRVJECRVRT-UHFFFAOYSA-N 1 2 349.456 1.618 20 30 EDEDLO CC(C)(O)c1cn(C2CN(Cc3c[nH+]c4ccc(C#N)cn34)C2)nn1 ZINC000371561896 156004788 /nfs/dbraw/zinc/00/47/88/156004788.db2.gz UHURIYSUPSXJAE-UHFFFAOYSA-N 1 2 337.387 1.082 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000374353033 157257794 /nfs/dbraw/zinc/25/77/94/157257794.db2.gz QSWRYLHNJYETDP-MRXNPFEDSA-N 1 2 328.397 1.418 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000374353033 157257796 /nfs/dbraw/zinc/25/77/96/157257796.db2.gz QSWRYLHNJYETDP-MRXNPFEDSA-N 1 2 328.397 1.418 20 30 EDEDLO Cc1cn2c([nH+]1)CN(CCS(=O)(=O)c1cccc(C#N)c1)CC2 ZINC000374677820 157364598 /nfs/dbraw/zinc/36/45/98/157364598.db2.gz KFGOCQWEVVHZKD-UHFFFAOYSA-N 1 2 330.413 1.353 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)N1CCCN(c2ccc(C#N)cc2)CC1 ZINC000378074969 158072107 /nfs/dbraw/zinc/07/21/07/158072107.db2.gz FQMINKHNFIQQPH-UHFFFAOYSA-N 1 2 338.415 1.714 20 30 EDEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000408084903 158261434 /nfs/dbraw/zinc/26/14/34/158261434.db2.gz UXWKHDDXXDZMQR-RYUDHWBXSA-N 1 2 325.409 1.552 20 30 EDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000408084903 158261436 /nfs/dbraw/zinc/26/14/36/158261436.db2.gz UXWKHDDXXDZMQR-RYUDHWBXSA-N 1 2 325.409 1.552 20 30 EDEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000408155530 158283622 /nfs/dbraw/zinc/28/36/22/158283622.db2.gz RTIVDGFMNVECSP-WDEREUQCSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000408155530 158283625 /nfs/dbraw/zinc/28/36/25/158283625.db2.gz RTIVDGFMNVECSP-WDEREUQCSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+]1CC(C)(C)O ZINC000408402556 158353463 /nfs/dbraw/zinc/35/34/63/158353463.db2.gz IRRXMEFVXUHTST-LLVKDONJSA-N 1 2 343.474 1.085 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1CC(C)(C)O ZINC000408402556 158353466 /nfs/dbraw/zinc/35/34/66/158353466.db2.gz IRRXMEFVXUHTST-LLVKDONJSA-N 1 2 343.474 1.085 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)Cc3c(F)cccc3C#N)CC2)cn1 ZINC000352261129 162080773 /nfs/dbraw/zinc/08/07/73/162080773.db2.gz KXQJNNXQIRQUGN-UHFFFAOYSA-N 1 2 341.390 1.318 20 30 EDEDLO N#Cc1cccc(NCc2ccc[nH+]c2N2CCC[C@H](C(N)=O)C2)n1 ZINC000301809320 270011400 /nfs/dbraw/zinc/01/14/00/270011400.db2.gz AYRUDDKGIZDDPY-AWEZNQCLSA-N 1 2 336.399 1.662 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCS(=O)(=O)[C@@H]4CCC[C@H]43)n2c1 ZINC000515594159 270015226 /nfs/dbraw/zinc/01/52/26/270015226.db2.gz RUBZLOFRBOFUMU-HUUCEWRRSA-N 1 2 330.413 1.357 20 30 EDEDLO N#Cc1ccc(OCCNc2nc(NCCO)c3ccccc3[nH+]2)cc1 ZINC000525707015 270015322 /nfs/dbraw/zinc/01/53/22/270015322.db2.gz NQICAKNENAAKLX-UHFFFAOYSA-N 1 2 349.394 1.240 20 30 EDEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000283924681 265837620 /nfs/dbraw/zinc/83/76/20/265837620.db2.gz LTYUAROCOCWKCB-UHFFFAOYSA-N 1 2 339.399 1.308 20 30 EDEDLO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000300708031 267066118 /nfs/dbraw/zinc/06/61/18/267066118.db2.gz PHELXZHNJSGARA-NEPJUHHUSA-N 1 2 325.459 1.867 20 30 EDEDLO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000300708031 267066125 /nfs/dbraw/zinc/06/61/25/267066125.db2.gz PHELXZHNJSGARA-NEPJUHHUSA-N 1 2 325.459 1.867 20 30 EDEDLO Cc1nsc(N2CC[NH+]([C@H]3CCN(C(C)C)C3=O)CC2)c1C#N ZINC000289495267 267698333 /nfs/dbraw/zinc/69/83/33/267698333.db2.gz PKEJBARMXWFNCL-AWEZNQCLSA-N 1 2 333.461 1.455 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)CCN1C ZINC000275585371 267827051 /nfs/dbraw/zinc/82/70/51/267827051.db2.gz RWINWTWXNDZTEU-HNNXBMFYSA-N 1 2 342.378 1.951 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000425462565 267859841 /nfs/dbraw/zinc/85/98/41/267859841.db2.gz FIOBGYIVNMUSDO-LSDHHAIUSA-N 1 2 330.432 1.981 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000425462565 267859843 /nfs/dbraw/zinc/85/98/43/267859843.db2.gz FIOBGYIVNMUSDO-LSDHHAIUSA-N 1 2 330.432 1.981 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000285553385 268067804 /nfs/dbraw/zinc/06/78/04/268067804.db2.gz QZYZOWUOTRFWGL-UHFFFAOYSA-N 1 2 337.379 1.775 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000285553385 268067805 /nfs/dbraw/zinc/06/78/05/268067805.db2.gz QZYZOWUOTRFWGL-UHFFFAOYSA-N 1 2 337.379 1.775 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)cn1 ZINC000435155464 268127406 /nfs/dbraw/zinc/12/74/06/268127406.db2.gz LZMIXADPAVMVGY-UHFFFAOYSA-N 1 2 342.378 1.781 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000514825428 268286008 /nfs/dbraw/zinc/28/60/08/268286008.db2.gz UZVPVIGZMFGTCV-UHFFFAOYSA-N 1 2 348.453 1.851 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000451425484 268286178 /nfs/dbraw/zinc/28/61/78/268286178.db2.gz HKZAVQZIIDRQHK-AWEZNQCLSA-N 1 2 330.356 1.034 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000451425484 268286180 /nfs/dbraw/zinc/28/61/80/268286180.db2.gz HKZAVQZIIDRQHK-AWEZNQCLSA-N 1 2 330.356 1.034 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000372640088 277907448 /nfs/dbraw/zinc/90/74/48/277907448.db2.gz PBXGMFAMXUPVMW-QAPCUYQASA-N 1 2 337.464 1.028 20 30 EDEDLO C[C@@H](NC(=O)CSc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000264272912 278322243 /nfs/dbraw/zinc/32/22/43/278322243.db2.gz NUMXRLZSTBNECK-KGLIPLIRSA-N 1 2 333.457 1.876 20 30 EDEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](C)O2 ZINC000374024341 297317018 /nfs/dbraw/zinc/31/70/18/297317018.db2.gz RFNIRDWQANYRFJ-RYRKJORJSA-N 1 2 348.447 1.301 20 30 EDEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](C)O2 ZINC000374024341 297317019 /nfs/dbraw/zinc/31/70/19/297317019.db2.gz RFNIRDWQANYRFJ-RYRKJORJSA-N 1 2 348.447 1.301 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1[C@H](NC(=O)CC(C)(C)C#N)CCC(=O)N1C1CC1 ZINC000345056321 303030405 /nfs/dbraw/zinc/03/04/05/303030405.db2.gz JMWYHDOHWDQBLK-DYVFJYSZSA-N 1 2 343.431 1.671 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCCC1(F)F ZINC000448833766 447349957 /nfs/dbraw/zinc/34/99/57/447349957.db2.gz DWVLTFPAIQLWPW-CQSZACIVSA-N 1 2 329.391 1.886 20 30 EDEDLO COC[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOC1 ZINC000449041367 447362844 /nfs/dbraw/zinc/36/28/44/447362844.db2.gz MTBGJFRBTCGHHX-IBGZPJMESA-N 1 2 343.427 1.256 20 30 EDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547968360 306116390 /nfs/dbraw/zinc/11/63/90/306116390.db2.gz UBLWKNUHFGYLPE-JTQLQIEISA-N 1 2 336.804 1.701 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000377869642 447382070 /nfs/dbraw/zinc/38/20/70/447382070.db2.gz QBYYOAQJNCQIEB-UHFFFAOYSA-N 1 2 336.461 1.863 20 30 EDEDLO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000449885700 447408156 /nfs/dbraw/zinc/40/81/56/447408156.db2.gz UEELMWATCCRPKX-GPMSIDNRSA-N 1 2 343.427 1.120 20 30 EDEDLO CC(=O)N1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC12CCCCC2 ZINC000378342718 447420880 /nfs/dbraw/zinc/42/08/80/447420880.db2.gz YJMCJQFEIYBSEF-GOSISDBHSA-N 1 2 346.475 1.662 20 30 EDEDLO CC(=O)N1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC12CCCCC2 ZINC000378342718 447420884 /nfs/dbraw/zinc/42/08/84/447420884.db2.gz YJMCJQFEIYBSEF-GOSISDBHSA-N 1 2 346.475 1.662 20 30 EDEDLO C=CCC[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C(=O)OCC ZINC000456617211 447423314 /nfs/dbraw/zinc/42/33/14/447423314.db2.gz YPQZIKBSKWVFLX-CVEARBPZSA-N 1 2 338.448 1.501 20 30 EDEDLO C=CCC[C@@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C(=O)OCC ZINC000456617211 447423324 /nfs/dbraw/zinc/42/33/24/447423324.db2.gz YPQZIKBSKWVFLX-CVEARBPZSA-N 1 2 338.448 1.501 20 30 EDEDLO C#Cc1cccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000043982269 440815421 /nfs/dbraw/zinc/81/54/21/440815421.db2.gz TTYVCTJBVGQPJQ-SFHVURJKSA-N 1 2 345.468 1.997 20 30 EDEDLO C#Cc1cccc(NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000043985355 440815751 /nfs/dbraw/zinc/81/57/51/440815751.db2.gz FBYZGICCCUSDAV-UHFFFAOYSA-N 1 2 340.427 1.440 20 30 EDEDLO N#CC1CC[NH+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000057879655 441140162 /nfs/dbraw/zinc/14/01/62/441140162.db2.gz HDYYHNXMDPPERC-UHFFFAOYSA-N 1 2 326.400 1.753 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCCn1cc[nH+]c1 ZINC000058216669 441160633 /nfs/dbraw/zinc/16/06/33/441160633.db2.gz URYRWJHXVNHQNN-UHFFFAOYSA-N 1 2 327.388 1.613 20 30 EDEDLO NC(=[NH+]OCC(=O)N1CCCC1)c1ccc(N2CCCCC2)nc1 ZINC000060100275 441233544 /nfs/dbraw/zinc/23/35/44/441233544.db2.gz SAMTZBZMMIWLCF-UHFFFAOYSA-N 1 2 331.420 1.331 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CSC(=O)N3)CC2)cc1 ZINC000081230187 441241666 /nfs/dbraw/zinc/24/16/66/441241666.db2.gz OHSUSCFEBKMGOU-AWEZNQCLSA-N 1 2 330.413 1.027 20 30 EDEDLO CCOC(=O)N[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000047795596 441227938 /nfs/dbraw/zinc/22/79/38/441227938.db2.gz LJPQMCDDWNMBFD-AWEZNQCLSA-N 1 2 336.436 1.540 20 30 EDEDLO CCOC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000047795596 441227943 /nfs/dbraw/zinc/22/79/43/441227943.db2.gz LJPQMCDDWNMBFD-AWEZNQCLSA-N 1 2 336.436 1.540 20 30 EDEDLO Cc1ccc(O[C@@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000060634232 441254973 /nfs/dbraw/zinc/25/49/73/441254973.db2.gz CHGMOIUHGKKNAD-KRWDZBQOSA-N 1 2 345.443 1.837 20 30 EDEDLO CO[C@@H](C)c1nc(CN(CCC#N)CC[NH+]2CCOCC2)cs1 ZINC000081515416 441280202 /nfs/dbraw/zinc/28/02/02/441280202.db2.gz MSZCCNLQUKLEKI-AWEZNQCLSA-N 1 2 338.477 1.898 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC(=O)N(C)C ZINC000073643581 441337754 /nfs/dbraw/zinc/33/77/54/441337754.db2.gz RJAPSQUSOUILGD-ZDUSSCGKSA-N 1 2 334.395 1.481 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC(=O)N(C)C ZINC000073643581 441337758 /nfs/dbraw/zinc/33/77/58/441337758.db2.gz RJAPSQUSOUILGD-ZDUSSCGKSA-N 1 2 334.395 1.481 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000063589881 441338676 /nfs/dbraw/zinc/33/86/76/441338676.db2.gz ZTENVVINYJSYDR-UHFFFAOYSA-N 1 2 330.812 1.809 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cccnc3)CC2)cc1 ZINC000025986819 441363685 /nfs/dbraw/zinc/36/36/85/441363685.db2.gz XRPLDTAFGOHLBF-UHFFFAOYSA-N 1 2 335.411 1.981 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCSc1ccccn1 ZINC000087224991 441484143 /nfs/dbraw/zinc/48/41/43/441484143.db2.gz HTXOEAGVODCOAZ-UHFFFAOYSA-N 1 2 348.472 1.638 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030278888 441488252 /nfs/dbraw/zinc/48/82/52/441488252.db2.gz SLXQODGAWIPJAV-UHFFFAOYSA-N 1 2 332.429 1.549 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606078 441515429 /nfs/dbraw/zinc/51/54/29/441515429.db2.gz VRTRNRJQWODMQJ-UHFFFAOYSA-N 1 2 341.371 1.609 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606078 441515433 /nfs/dbraw/zinc/51/54/33/441515433.db2.gz VRTRNRJQWODMQJ-UHFFFAOYSA-N 1 2 341.371 1.609 20 30 EDEDLO COc1ccc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000076461335 441648713 /nfs/dbraw/zinc/64/87/13/441648713.db2.gz PTCGUVFTTTWYOB-UHFFFAOYSA-N 1 2 332.404 1.775 20 30 EDEDLO C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000076218663 441613472 /nfs/dbraw/zinc/61/34/72/441613472.db2.gz NYVLSCXKPCBTBX-CQSZACIVSA-N 1 2 347.440 1.537 20 30 EDEDLO N#Cc1ccc(CSCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000114856054 441690157 /nfs/dbraw/zinc/69/01/57/441690157.db2.gz UOHIBEKOVKQZTJ-KRWDZBQOSA-N 1 2 345.468 1.771 20 30 EDEDLO N#Cc1ccc(CSCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000114856054 441690162 /nfs/dbraw/zinc/69/01/62/441690162.db2.gz UOHIBEKOVKQZTJ-KRWDZBQOSA-N 1 2 345.468 1.771 20 30 EDEDLO CCc1nn(C)cc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000091202414 441674457 /nfs/dbraw/zinc/67/44/57/441674457.db2.gz YZIINWIYXBBQRB-UHFFFAOYSA-N 1 2 334.424 1.062 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000115389706 441735252 /nfs/dbraw/zinc/73/52/52/441735252.db2.gz YQXBDAISHHFICM-UHFFFAOYSA-N 1 2 337.427 1.867 20 30 EDEDLO C=CCC[C@H](O)C[N@@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000151082623 442002503 /nfs/dbraw/zinc/00/25/03/442002503.db2.gz SKQIWYCZGCSXTM-AWEZNQCLSA-N 1 2 347.419 1.438 20 30 EDEDLO C=CCC[C@H](O)C[N@H+](C)Cc1nnnn1-c1cc(OC)cc(OC)c1 ZINC000151082623 442002507 /nfs/dbraw/zinc/00/25/07/442002507.db2.gz SKQIWYCZGCSXTM-AWEZNQCLSA-N 1 2 347.419 1.438 20 30 EDEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1(C(N)=O)CCCC1 ZINC000120152588 442017911 /nfs/dbraw/zinc/01/79/11/442017911.db2.gz YPLZTDWTJQXONS-UHFFFAOYSA-N 1 2 334.807 1.880 20 30 EDEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1(C(N)=O)CCCC1 ZINC000120152588 442017915 /nfs/dbraw/zinc/01/79/15/442017915.db2.gz YPLZTDWTJQXONS-UHFFFAOYSA-N 1 2 334.807 1.880 20 30 EDEDLO COc1ccc(C[NH+]2CCN(C(=O)CN(C)[C@H](C)CC#N)CC2)cc1 ZINC000161803674 442034792 /nfs/dbraw/zinc/03/47/92/442034792.db2.gz HFQZYOVFFLIYCB-MRXNPFEDSA-N 1 2 344.459 1.573 20 30 EDEDLO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000125949429 442063788 /nfs/dbraw/zinc/06/37/88/442063788.db2.gz SPBOEUWUGWQZLB-CABCVRRESA-N 1 2 330.494 1.699 20 30 EDEDLO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000125949429 442063793 /nfs/dbraw/zinc/06/37/93/442063793.db2.gz SPBOEUWUGWQZLB-CABCVRRESA-N 1 2 330.494 1.699 20 30 EDEDLO Cc1cc(C(N)=[NH+]OCCCN2C(=O)NC(C)(C)C2=O)ccc1F ZINC000153123088 442262506 /nfs/dbraw/zinc/26/25/06/442262506.db2.gz MCUWAZGOXGHKCW-UHFFFAOYSA-N 1 2 336.367 1.492 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000128510483 442271294 /nfs/dbraw/zinc/27/12/94/442271294.db2.gz XKVYPTAHNBNXSI-OAHLLOKOSA-N 1 2 344.440 1.935 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000128510483 442271299 /nfs/dbraw/zinc/27/12/99/442271299.db2.gz XKVYPTAHNBNXSI-OAHLLOKOSA-N 1 2 344.440 1.935 20 30 EDEDLO N#CCCCCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000171907286 442389787 /nfs/dbraw/zinc/38/97/87/442389787.db2.gz ZDJWXEYHMBNWJA-GOSISDBHSA-N 1 2 344.459 1.923 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000155358231 442391105 /nfs/dbraw/zinc/39/11/05/442391105.db2.gz PZGSICHPQSYRGZ-GJZGRUSLSA-N 1 2 343.427 1.122 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000155358231 442391108 /nfs/dbraw/zinc/39/11/08/442391108.db2.gz PZGSICHPQSYRGZ-GJZGRUSLSA-N 1 2 343.427 1.122 20 30 EDEDLO CC(C)(C)CN(CCC#N)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000155917700 442436327 /nfs/dbraw/zinc/43/63/27/442436327.db2.gz BZFOZDBROPYOCT-UHFFFAOYSA-N 1 2 343.475 1.992 20 30 EDEDLO C=CCCn1cc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccnn2C)nn1 ZINC000625495469 450393103 /nfs/dbraw/zinc/39/31/03/450393103.db2.gz HRTCVTGMTKWHFA-KRWDZBQOSA-N 1 2 338.419 1.459 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000186355724 442517826 /nfs/dbraw/zinc/51/78/26/442517826.db2.gz YZEOLWBISSQNMA-CYBMUJFWSA-N 1 2 326.400 1.042 20 30 EDEDLO CC(C)CN1CC[N@H+](CCC(=O)Nc2sccc2C#N)CC1=O ZINC000187087837 442652146 /nfs/dbraw/zinc/65/21/46/442652146.db2.gz DBJODIGVXKXVEN-UHFFFAOYSA-N 1 2 334.445 1.749 20 30 EDEDLO CC(C)CN1CC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1=O ZINC000187087837 442652149 /nfs/dbraw/zinc/65/21/49/442652149.db2.gz DBJODIGVXKXVEN-UHFFFAOYSA-N 1 2 334.445 1.749 20 30 EDEDLO COCCO[C@@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000179339666 442625997 /nfs/dbraw/zinc/62/59/97/442625997.db2.gz QCYZSDQOODQLBR-CQSZACIVSA-N 1 2 335.404 1.834 20 30 EDEDLO COCCO[C@@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000179339666 442626003 /nfs/dbraw/zinc/62/60/03/442626003.db2.gz QCYZSDQOODQLBR-CQSZACIVSA-N 1 2 335.404 1.834 20 30 EDEDLO N#Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccn1 ZINC000192545093 442661395 /nfs/dbraw/zinc/66/13/95/442661395.db2.gz FPCFLKIKLFKEQA-GOSISDBHSA-N 1 2 336.395 1.757 20 30 EDEDLO C=CCNc1ncc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000193244974 442725786 /nfs/dbraw/zinc/72/57/86/442725786.db2.gz VRVBBWZGLNCTQH-BETUJISGSA-N 1 2 338.477 1.922 20 30 EDEDLO C=CCNc1ncc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000193244974 442725788 /nfs/dbraw/zinc/72/57/88/442725788.db2.gz VRVBBWZGLNCTQH-BETUJISGSA-N 1 2 338.477 1.922 20 30 EDEDLO N#Cc1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1O ZINC000188265987 442731381 /nfs/dbraw/zinc/73/13/81/442731381.db2.gz CGNPDXVUWGCUDY-UHFFFAOYSA-N 1 2 338.367 1.425 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000193376483 442737596 /nfs/dbraw/zinc/73/75/96/442737596.db2.gz YZRBNDFXGORVNZ-KRWDZBQOSA-N 1 2 331.391 1.957 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000193376483 442737599 /nfs/dbraw/zinc/73/75/99/442737599.db2.gz YZRBNDFXGORVNZ-KRWDZBQOSA-N 1 2 331.391 1.957 20 30 EDEDLO C=CCCCCC[NH+]1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000193404749 442739419 /nfs/dbraw/zinc/73/94/19/442739419.db2.gz DTNRFVRJGATUJE-UHFFFAOYSA-N 1 2 340.493 1.781 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)o1 ZINC000182299729 442754813 /nfs/dbraw/zinc/75/48/13/442754813.db2.gz BQKNJMYLNBBOGA-MRXNPFEDSA-N 1 2 337.445 1.978 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)o1 ZINC000182299729 442754816 /nfs/dbraw/zinc/75/48/16/442754816.db2.gz BQKNJMYLNBBOGA-MRXNPFEDSA-N 1 2 337.445 1.978 20 30 EDEDLO C[C@H](C#N)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000248457129 442893997 /nfs/dbraw/zinc/89/39/97/442893997.db2.gz SVMBVBNCPJHNJE-MGPQQGTHSA-N 1 2 331.420 1.654 20 30 EDEDLO CCOC1CC(CNC(=O)C#Cc2ccccc2)([NH+]2CCOCC2)C1 ZINC000195191526 442995141 /nfs/dbraw/zinc/99/51/41/442995141.db2.gz JLVVXDVLLMLMEW-UHFFFAOYSA-N 1 2 342.439 1.424 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194767172 442952190 /nfs/dbraw/zinc/95/21/90/442952190.db2.gz VAFUWDHHCPRAIZ-OWCLPIDISA-N 1 2 345.443 1.893 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194767172 442952194 /nfs/dbraw/zinc/95/21/94/442952194.db2.gz VAFUWDHHCPRAIZ-OWCLPIDISA-N 1 2 345.443 1.893 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000252701513 443046902 /nfs/dbraw/zinc/04/69/02/443046902.db2.gz DKKNDVSIDJVOET-LLVKDONJSA-N 1 2 327.837 1.926 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000252701513 443046905 /nfs/dbraw/zinc/04/69/05/443046905.db2.gz DKKNDVSIDJVOET-LLVKDONJSA-N 1 2 327.837 1.926 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000245413517 443225219 /nfs/dbraw/zinc/22/52/19/443225219.db2.gz BOOHAPHHJYCYJR-DZKIICNBSA-N 1 2 343.493 1.328 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000245413517 443225223 /nfs/dbraw/zinc/22/52/23/443225223.db2.gz BOOHAPHHJYCYJR-DZKIICNBSA-N 1 2 343.493 1.328 20 30 EDEDLO C[C@H]1COCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000610990933 450399785 /nfs/dbraw/zinc/39/97/85/450399785.db2.gz VKQMGMDILDYTCX-AWEZNQCLSA-N 1 2 339.399 1.793 20 30 EDEDLO C[C@H]1COCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000610990933 450399787 /nfs/dbraw/zinc/39/97/87/450399787.db2.gz VKQMGMDILDYTCX-AWEZNQCLSA-N 1 2 339.399 1.793 20 30 EDEDLO COCC[N@H+](CCO)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000264313750 443260712 /nfs/dbraw/zinc/26/07/12/443260712.db2.gz ZZEUSFHGQWEUCX-UHFFFAOYSA-N 1 2 339.823 1.527 20 30 EDEDLO COCC[N@@H+](CCO)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000264313750 443260718 /nfs/dbraw/zinc/26/07/18/443260718.db2.gz ZZEUSFHGQWEUCX-UHFFFAOYSA-N 1 2 339.823 1.527 20 30 EDEDLO Cc1nn(C)c(C)c1CN1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191339367 443280932 /nfs/dbraw/zinc/28/09/32/443280932.db2.gz LDUYVLGHZYLFAJ-UHFFFAOYSA-N 1 2 326.448 1.565 20 30 EDEDLO C[C@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000269646906 443377443 /nfs/dbraw/zinc/37/74/43/443377443.db2.gz HVNIWCBCSIDYPV-GJZGRUSLSA-N 1 2 342.443 1.956 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272607757 443380292 /nfs/dbraw/zinc/38/02/92/443380292.db2.gz WIDSHKXFEQZNBJ-UHFFFAOYSA-N 1 2 337.326 1.854 20 30 EDEDLO C#CCC(CC#C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000278897599 443473223 /nfs/dbraw/zinc/47/32/23/443473223.db2.gz PMBYBJBNNQOURS-OAHLLOKOSA-N 1 2 325.412 1.586 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278916439 443474284 /nfs/dbraw/zinc/47/42/84/443474284.db2.gz UFJDEOFREYGRSH-AWEZNQCLSA-N 1 2 334.395 1.826 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278916439 443474289 /nfs/dbraw/zinc/47/42/89/443474289.db2.gz UFJDEOFREYGRSH-AWEZNQCLSA-N 1 2 334.395 1.826 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2noc(CC)n2)CC1 ZINC000267434222 443456225 /nfs/dbraw/zinc/45/62/25/443456225.db2.gz ZNKFDZBOKLYGON-OAHLLOKOSA-N 1 2 349.479 1.563 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2nnn(CC3CCCC3)c2C)CC1 ZINC000279187837 443528804 /nfs/dbraw/zinc/52/88/04/443528804.db2.gz INGRLOQVHJTETE-UHFFFAOYSA-N 1 2 329.448 1.558 20 30 EDEDLO C=C[C@H](CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC)c1ccccc1 ZINC000271173017 443494155 /nfs/dbraw/zinc/49/41/55/443494155.db2.gz TUUCICMDHPIRJL-CJNGLKHVSA-N 1 2 327.384 1.970 20 30 EDEDLO C=C[C@H](CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC)c1ccccc1 ZINC000271173017 443494157 /nfs/dbraw/zinc/49/41/57/443494157.db2.gz TUUCICMDHPIRJL-CJNGLKHVSA-N 1 2 327.384 1.970 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000265144168 443549230 /nfs/dbraw/zinc/54/92/30/443549230.db2.gz JWQSGWYSJOFHOM-OAHLLOKOSA-N 1 2 331.416 1.219 20 30 EDEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000275642543 443635422 /nfs/dbraw/zinc/63/54/22/443635422.db2.gz KCIMNDUTWAIPTA-OAHLLOKOSA-N 1 2 329.448 1.860 20 30 EDEDLO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000275642543 443635424 /nfs/dbraw/zinc/63/54/24/443635424.db2.gz KCIMNDUTWAIPTA-OAHLLOKOSA-N 1 2 329.448 1.860 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000275656349 443635565 /nfs/dbraw/zinc/63/55/65/443635565.db2.gz ONTDIWRHTALAIO-AWEZNQCLSA-N 1 2 325.372 1.641 20 30 EDEDLO CCOC(=O)[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)[C@@H](C)CC ZINC000272386668 443610138 /nfs/dbraw/zinc/61/01/38/443610138.db2.gz XHHQKZVRIXIWPA-JLJPHGGASA-N 1 2 334.416 1.865 20 30 EDEDLO C=CCCOCCNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000275778347 443642015 /nfs/dbraw/zinc/64/20/15/443642015.db2.gz YGAUWIQYYAJFQS-OAHLLOKOSA-N 1 2 348.447 1.903 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000276213099 443669967 /nfs/dbraw/zinc/66/99/67/443669967.db2.gz DEFVKNKLDPMRFR-OAHLLOKOSA-N 1 2 336.399 1.277 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000276213099 443669969 /nfs/dbraw/zinc/66/99/69/443669969.db2.gz DEFVKNKLDPMRFR-OAHLLOKOSA-N 1 2 336.399 1.277 20 30 EDEDLO Cn1cc(C[NH+]2CC(N3CCNC3=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000298191469 443716136 /nfs/dbraw/zinc/71/61/36/443716136.db2.gz WXXOQWNZKOEIGG-UHFFFAOYSA-N 1 2 336.399 1.168 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)Nc1ccc(C#N)cc1 ZINC000284824933 443790042 /nfs/dbraw/zinc/79/00/42/443790042.db2.gz VDKMIJJDRNYMLJ-CZUORRHYSA-N 1 2 338.371 1.433 20 30 EDEDLO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H](C)OC ZINC000291275669 443754765 /nfs/dbraw/zinc/75/47/65/443754765.db2.gz PXKKFZSHTYKCKW-OCCSQVGLSA-N 1 2 342.399 1.868 20 30 EDEDLO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H](C)OC ZINC000291275669 443754768 /nfs/dbraw/zinc/75/47/68/443754768.db2.gz PXKKFZSHTYKCKW-OCCSQVGLSA-N 1 2 342.399 1.868 20 30 EDEDLO C[C@@H](NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1)c1ccccc1Cl ZINC000284028073 443762167 /nfs/dbraw/zinc/76/21/67/443762167.db2.gz IJWGMYDZZHIUFK-MFKMUULPSA-N 1 2 325.796 1.985 20 30 EDEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000284078067 443763575 /nfs/dbraw/zinc/76/35/75/443763575.db2.gz KHTLSXPPLNWAHH-BXUZGUMPSA-N 1 2 349.387 1.643 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)[C@H]2CCCO2)c(OC)c1 ZINC000284105011 443766042 /nfs/dbraw/zinc/76/60/42/443766042.db2.gz LJKOAFKNYKRKLF-GXFFZTMASA-N 1 2 337.376 1.499 20 30 EDEDLO Cc1cccc(OCCNC(=O)[C@@H](C)O[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284380891 443774257 /nfs/dbraw/zinc/77/42/57/443774257.db2.gz MAMQTJOCGZDCHX-HIFRSBDPSA-N 1 2 335.404 1.346 20 30 EDEDLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](C#N)CCC#N ZINC000292710489 443823848 /nfs/dbraw/zinc/82/38/48/443823848.db2.gz LMQIAZKREYTBNP-CYBMUJFWSA-N 1 2 336.417 1.088 20 30 EDEDLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](C#N)CCC#N ZINC000292710489 443823851 /nfs/dbraw/zinc/82/38/51/443823851.db2.gz LMQIAZKREYTBNP-CYBMUJFWSA-N 1 2 336.417 1.088 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N(C)Cc2ccccc2)C1=O ZINC000281191230 443843046 /nfs/dbraw/zinc/84/30/46/443843046.db2.gz BQTGLSFKLADUPP-WBVHZDCISA-N 1 2 329.444 1.752 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N(C)Cc2ccccc2)C1=O ZINC000281191230 443843049 /nfs/dbraw/zinc/84/30/49/443843049.db2.gz BQTGLSFKLADUPP-WBVHZDCISA-N 1 2 329.444 1.752 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(CC)cc2)C1=O ZINC000281335015 443882978 /nfs/dbraw/zinc/88/29/78/443882978.db2.gz MCGDEGXILPVNRV-GOSISDBHSA-N 1 2 343.471 1.926 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(CC)cc2)C1=O ZINC000281335015 443882983 /nfs/dbraw/zinc/88/29/83/443882983.db2.gz MCGDEGXILPVNRV-GOSISDBHSA-N 1 2 343.471 1.926 20 30 EDEDLO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000298989129 443921651 /nfs/dbraw/zinc/92/16/51/443921651.db2.gz PWDLODYOTWUNRG-ZIAGYGMSSA-N 1 2 340.445 1.002 20 30 EDEDLO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000298989129 443921656 /nfs/dbraw/zinc/92/16/56/443921656.db2.gz PWDLODYOTWUNRG-ZIAGYGMSSA-N 1 2 340.445 1.002 20 30 EDEDLO C[N@H+](CCOCCC#N)CC(=O)Nc1ccc(Br)cn1 ZINC000293144028 443936495 /nfs/dbraw/zinc/93/64/95/443936495.db2.gz QOHOECJOXDXNSY-UHFFFAOYSA-N 1 2 341.209 1.645 20 30 EDEDLO C[N@@H+](CCOCCC#N)CC(=O)Nc1ccc(Br)cn1 ZINC000293144028 443936499 /nfs/dbraw/zinc/93/64/99/443936499.db2.gz QOHOECJOXDXNSY-UHFFFAOYSA-N 1 2 341.209 1.645 20 30 EDEDLO CCCCOCCNC(=O)CO[NH+]=C(N)Cc1csc(C)n1 ZINC000299214580 443985089 /nfs/dbraw/zinc/98/50/89/443985089.db2.gz MAHCVSHPARQYGZ-UHFFFAOYSA-N 1 2 328.438 1.216 20 30 EDEDLO CC(C)C[C@@H]1C(=O)NCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000293466262 444026276 /nfs/dbraw/zinc/02/62/76/444026276.db2.gz DOMSTMBJZBFCQD-MRXNPFEDSA-N 1 2 328.416 1.733 20 30 EDEDLO CC(C)C[C@@H]1C(=O)NCCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000293466262 444026279 /nfs/dbraw/zinc/02/62/79/444026279.db2.gz DOMSTMBJZBFCQD-MRXNPFEDSA-N 1 2 328.416 1.733 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)C1=O ZINC000282088573 444082706 /nfs/dbraw/zinc/08/27/06/444082706.db2.gz VBTJELWJHQPWLH-MRXNPFEDSA-N 1 2 331.391 1.370 20 30 EDEDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000299484506 444060031 /nfs/dbraw/zinc/06/00/31/444060031.db2.gz ANQQYEDXHORZCT-UHFFFAOYSA-N 1 2 346.387 1.591 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ccc(C(=O)OC)nc2C#N)C1 ZINC000569470570 321326519 /nfs/dbraw/zinc/32/65/19/321326519.db2.gz CTMCIWKDSYZGTP-GFCCVEGCSA-N 1 2 346.387 1.037 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ccc(C(=O)OC)nc2C#N)C1 ZINC000569470570 321326523 /nfs/dbraw/zinc/32/65/23/321326523.db2.gz CTMCIWKDSYZGTP-GFCCVEGCSA-N 1 2 346.387 1.037 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000285803581 444113119 /nfs/dbraw/zinc/11/31/19/444113119.db2.gz FWPFKJALKUTLGK-QGTPRVQTSA-N 1 2 343.427 1.567 20 30 EDEDLO COC(=O)N1CCN(c2ccc(Nc3nccc(C#N)n3)c[nH+]2)CC1 ZINC000294929492 444159524 /nfs/dbraw/zinc/15/95/24/444159524.db2.gz KMNFDUFFLMEDOD-UHFFFAOYSA-N 1 2 339.359 1.375 20 30 EDEDLO Cc1cccc(OCCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000301999862 444199504 /nfs/dbraw/zinc/19/95/04/444199504.db2.gz ULCFIKKTPNVRNC-UHFFFAOYSA-N 1 2 345.443 1.838 20 30 EDEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCS1 ZINC000290299149 444264169 /nfs/dbraw/zinc/26/41/69/444264169.db2.gz NLHULKKYDFRQIF-UHFFFAOYSA-N 1 2 325.459 1.554 20 30 EDEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCS1 ZINC000290299149 444264171 /nfs/dbraw/zinc/26/41/71/444264171.db2.gz NLHULKKYDFRQIF-UHFFFAOYSA-N 1 2 325.459 1.554 20 30 EDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290309524 444265407 /nfs/dbraw/zinc/26/54/07/444265407.db2.gz JOALWZGDGPXQDH-LBPRGKRZSA-N 1 2 339.355 1.155 20 30 EDEDLO CO[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000297081443 444272499 /nfs/dbraw/zinc/27/24/99/444272499.db2.gz ZHLIERZQVZYDMO-SFHVURJKSA-N 1 2 342.443 1.810 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000310098716 444290691 /nfs/dbraw/zinc/29/06/91/444290691.db2.gz MNJHWQVBTZLLMW-UHFFFAOYSA-N 1 2 342.424 1.460 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(CC(=O)NC3CCCCC3)CC2)C1=O ZINC000328764524 444345109 /nfs/dbraw/zinc/34/51/09/444345109.db2.gz DTXNHFBJMRXLCQ-QGZVFWFLSA-N 1 2 348.491 1.680 20 30 EDEDLO CCN1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000330991322 444349047 /nfs/dbraw/zinc/34/90/47/444349047.db2.gz MXFGQXZXBWGLDD-RVKKMQEKSA-N 1 2 346.479 1.531 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F)C1CC1 ZINC000340198155 444369041 /nfs/dbraw/zinc/36/90/41/444369041.db2.gz HHEKGZIPUMEDJC-MRVWCRGKSA-N 1 2 333.354 1.573 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F)C1CC1 ZINC000340198155 444369045 /nfs/dbraw/zinc/36/90/45/444369045.db2.gz HHEKGZIPUMEDJC-MRVWCRGKSA-N 1 2 333.354 1.573 20 30 EDEDLO Cc1occc1C(=O)NCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000331041086 444370586 /nfs/dbraw/zinc/37/05/86/444370586.db2.gz QLFLELZDHWYBFD-UHFFFAOYSA-N 1 2 336.392 1.351 20 30 EDEDLO COC(=O)c1ccoc1CO[NH+]=C(N)c1ccc(OC)c(OC)c1 ZINC000298065930 444403195 /nfs/dbraw/zinc/40/31/95/444403195.db2.gz ADJLHYZQIQTWJI-UHFFFAOYSA-N 1 2 334.328 1.921 20 30 EDEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000337822324 444423990 /nfs/dbraw/zinc/42/39/90/444423990.db2.gz SPFHCNFHWMWGDJ-UHFFFAOYSA-N 1 2 334.468 1.234 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)CC(F)(F)F)CC2)cc1 ZINC000331082343 444386992 /nfs/dbraw/zinc/38/69/92/444386992.db2.gz ZPSVQBCTUMPPHX-UHFFFAOYSA-N 1 2 347.362 1.568 20 30 EDEDLO COC[C@H]1CCN(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000337824138 444425552 /nfs/dbraw/zinc/42/55/52/444425552.db2.gz SCEOBRIVNRMJIR-SFHVURJKSA-N 1 2 342.443 1.764 20 30 EDEDLO CCN1CCN(C(=O)NC[C@@H]2CCCCO2)C[C@H]1c1[nH+]ccn1C ZINC000328625457 444399414 /nfs/dbraw/zinc/39/94/14/444399414.db2.gz KTWVUZGQIJGMIE-GJZGRUSLSA-N 1 2 335.452 1.582 20 30 EDEDLO Cn1cc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)c(C(F)(F)F)n1 ZINC000331337841 444466693 /nfs/dbraw/zinc/46/66/93/444466693.db2.gz ZNGLTPCXUZOTID-UHFFFAOYSA-N 1 2 349.357 1.876 20 30 EDEDLO Cn1cc(NC(=O)NCC[N@H+]2CCOCC2(C)C)c(C(F)(F)F)n1 ZINC000331337841 444466697 /nfs/dbraw/zinc/46/66/97/444466697.db2.gz ZNGLTPCXUZOTID-UHFFFAOYSA-N 1 2 349.357 1.876 20 30 EDEDLO CC1(C)SC[C@@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000328717345 444439052 /nfs/dbraw/zinc/43/90/52/444439052.db2.gz UNGXUUPHNDNGNW-STQMWFEESA-N 1 2 341.477 1.018 20 30 EDEDLO C=CCn1c(CCC(C)C)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000337862938 444440884 /nfs/dbraw/zinc/44/08/84/444440884.db2.gz OFZTYQLUQRYOTB-MRXNPFEDSA-N 1 2 333.480 1.964 20 30 EDEDLO CCOCc1nc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)no1 ZINC000580829672 322100907 /nfs/dbraw/zinc/10/09/07/322100907.db2.gz UIGVPTNGNVQKNV-OCCSQVGLSA-N 1 2 346.387 1.568 20 30 EDEDLO C[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)[C@@H]2CCCC[C@@H]21 ZINC000332312283 444509367 /nfs/dbraw/zinc/50/93/67/444509367.db2.gz XSIVANKWEOVZCU-BZUAXINKSA-N 1 2 346.475 1.470 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1C#N ZINC000340810117 444519532 /nfs/dbraw/zinc/51/95/32/444519532.db2.gz CAEOMFLQIBDSSJ-ZWNOBZJWSA-N 1 2 334.445 1.839 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1C#N ZINC000340810117 444519534 /nfs/dbraw/zinc/51/95/34/444519534.db2.gz CAEOMFLQIBDSSJ-ZWNOBZJWSA-N 1 2 334.445 1.839 20 30 EDEDLO Cc1cc(C[C@H](C)NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)[nH]n1 ZINC000329286005 444521239 /nfs/dbraw/zinc/52/12/39/444521239.db2.gz PDFPVQLFBADYLY-DUVNUKRYSA-N 1 2 335.452 1.358 20 30 EDEDLO Cc1cc(C[C@H](C)NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)n[nH]1 ZINC000329286005 444521244 /nfs/dbraw/zinc/52/12/44/444521244.db2.gz PDFPVQLFBADYLY-DUVNUKRYSA-N 1 2 335.452 1.358 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCN3CCOC[C@H]3C2)c(OC)c1 ZINC000329399442 444563740 /nfs/dbraw/zinc/56/37/40/444563740.db2.gz ASQPEHNSWJVELL-ZIAGYGMSSA-N 1 2 349.431 1.697 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCN3CCOC[C@H]3C2)c(OC)c1 ZINC000329399442 444563742 /nfs/dbraw/zinc/56/37/42/444563742.db2.gz ASQPEHNSWJVELL-ZIAGYGMSSA-N 1 2 349.431 1.697 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCN4C(=O)CC[C@H]4C3)C2=O)cc1 ZINC000329419640 444572176 /nfs/dbraw/zinc/57/21/76/444572176.db2.gz GPNUQHVDYJBOGP-IRXDYDNUSA-N 1 2 338.411 1.360 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCN4C(=O)CC[C@H]4C3)C2=O)cc1 ZINC000329419640 444572178 /nfs/dbraw/zinc/57/21/78/444572178.db2.gz GPNUQHVDYJBOGP-IRXDYDNUSA-N 1 2 338.411 1.360 20 30 EDEDLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329491597 444601618 /nfs/dbraw/zinc/60/16/18/444601618.db2.gz VOXDAUZYYWDBLZ-MWLCHTKSSA-N 1 2 330.310 1.565 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000329603166 444644628 /nfs/dbraw/zinc/64/46/28/444644628.db2.gz LEOJROOPKTVDMT-CWSCBRNRSA-N 1 2 346.353 1.816 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000329603166 444644632 /nfs/dbraw/zinc/64/46/32/444644632.db2.gz LEOJROOPKTVDMT-CWSCBRNRSA-N 1 2 346.353 1.816 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000329747174 444699881 /nfs/dbraw/zinc/69/98/81/444699881.db2.gz ZGLFORYFZWATFJ-TZMCWYRMSA-N 1 2 334.420 1.451 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000329747174 444699885 /nfs/dbraw/zinc/69/98/85/444699885.db2.gz ZGLFORYFZWATFJ-TZMCWYRMSA-N 1 2 334.420 1.451 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC(NC(C)=O)C2)nc[nH+]1 ZINC000329795785 444719769 /nfs/dbraw/zinc/71/97/69/444719769.db2.gz DFVPMUTYYPWINO-CYBMUJFWSA-N 1 2 347.423 1.062 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC(NC(C)=O)C2)[nH+]cn1 ZINC000329795785 444719771 /nfs/dbraw/zinc/71/97/71/444719771.db2.gz DFVPMUTYYPWINO-CYBMUJFWSA-N 1 2 347.423 1.062 20 30 EDEDLO Cc1[nH]ncc1CNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000329853331 444741043 /nfs/dbraw/zinc/74/10/43/444741043.db2.gz VJXFSQZMRUYDHB-HUUCEWRRSA-N 1 2 348.495 1.623 20 30 EDEDLO Cc1cc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cnn1 ZINC000329869247 444746875 /nfs/dbraw/zinc/74/68/75/444746875.db2.gz YMVUPVCPQVWKPW-CYBMUJFWSA-N 1 2 327.388 1.910 20 30 EDEDLO Cc1nnc(CN(C)CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)n1C ZINC000329880807 444751374 /nfs/dbraw/zinc/75/13/74/444751374.db2.gz NWMMCDBPYJCSBW-UHFFFAOYSA-N 1 2 349.464 1.288 20 30 EDEDLO Cc1nnc(CN(C)CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)n1C ZINC000329880807 444751377 /nfs/dbraw/zinc/75/13/77/444751377.db2.gz NWMMCDBPYJCSBW-UHFFFAOYSA-N 1 2 349.464 1.288 20 30 EDEDLO CC(=O)NCc1ccc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000329932775 444774547 /nfs/dbraw/zinc/77/45/47/444774547.db2.gz PSYJURDTWRWAIL-HOTGVXAUSA-N 1 2 332.404 1.710 20 30 EDEDLO CC(=O)NCc1ccc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000329932775 444774551 /nfs/dbraw/zinc/77/45/51/444774551.db2.gz PSYJURDTWRWAIL-HOTGVXAUSA-N 1 2 332.404 1.710 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cnn(-c4ccccc4F)c3)C[C@H]21 ZINC000329932406 444775027 /nfs/dbraw/zinc/77/50/27/444775027.db2.gz POJNYZOSBXMRCJ-CVEARBPZSA-N 1 2 345.378 1.572 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cnn(-c4ccccc4F)c3)C[C@H]21 ZINC000329932406 444775031 /nfs/dbraw/zinc/77/50/31/444775031.db2.gz POJNYZOSBXMRCJ-CVEARBPZSA-N 1 2 345.378 1.572 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329936234 444776600 /nfs/dbraw/zinc/77/66/00/444776600.db2.gz KVJFOAODIQRPFW-UGUYLWEFSA-N 1 2 325.453 1.511 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329936234 444776603 /nfs/dbraw/zinc/77/66/03/444776603.db2.gz KVJFOAODIQRPFW-UGUYLWEFSA-N 1 2 325.453 1.511 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3nnc(C(C)(C)C)s3)C[C@H]21 ZINC000329984901 444799111 /nfs/dbraw/zinc/79/91/11/444799111.db2.gz QSLSNCLZYRDXAF-GHMZBOCLSA-N 1 2 339.465 1.264 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3nnc(C(C)(C)C)s3)C[C@H]21 ZINC000329984901 444799113 /nfs/dbraw/zinc/79/91/13/444799113.db2.gz QSLSNCLZYRDXAF-GHMZBOCLSA-N 1 2 339.465 1.264 20 30 EDEDLO C[C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)n1cnc(C#N)n1 ZINC000336885680 444832820 /nfs/dbraw/zinc/83/28/20/444832820.db2.gz JFPVJUMYXODACD-ZDUSSCGKSA-N 1 2 335.371 1.272 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000336921228 444854105 /nfs/dbraw/zinc/85/41/05/444854105.db2.gz GYHZCHKYKFLEDX-CQSZACIVSA-N 1 2 339.399 1.194 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000336921228 444854108 /nfs/dbraw/zinc/85/41/08/444854108.db2.gz GYHZCHKYKFLEDX-CQSZACIVSA-N 1 2 339.399 1.194 20 30 EDEDLO O=C(C[N@@H+]1CCc2n[nH]c(=O)cc2C1)Nc1ccc2c(c1)OCCO2 ZINC000330154181 444865511 /nfs/dbraw/zinc/86/55/11/444865511.db2.gz OKTDXERRXIFRHV-UHFFFAOYSA-N 1 2 342.355 1.600 20 30 EDEDLO O=C(C[N@H+]1CCc2n[nH]c(=O)cc2C1)Nc1ccc2c(c1)OCCO2 ZINC000330154181 444865515 /nfs/dbraw/zinc/86/55/15/444865515.db2.gz OKTDXERRXIFRHV-UHFFFAOYSA-N 1 2 342.355 1.600 20 30 EDEDLO C[C@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000330168598 444870421 /nfs/dbraw/zinc/87/04/21/444870421.db2.gz WJHSUUHJFHAGAQ-ZIAGYGMSSA-N 1 2 346.493 1.657 20 30 EDEDLO C=C(C)Cn1c([C@H]2OCC[C@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000338846851 444886018 /nfs/dbraw/zinc/88/60/18/444886018.db2.gz IDHNAWMHGWTKQX-CVEARBPZSA-N 1 2 349.479 1.720 20 30 EDEDLO C[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)n1cnc(C#N)n1 ZINC000337050325 444917958 /nfs/dbraw/zinc/91/79/58/444917958.db2.gz OHHABOQLGMZLHG-CQSZACIVSA-N 1 2 341.419 1.626 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3OCCN(C)[C@@H]3C2)cc1OC ZINC000330346242 444945915 /nfs/dbraw/zinc/94/59/15/444945915.db2.gz GGSBCUQKGHWJOG-DXCKQFNASA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3OCCN(C)[C@@H]3C2)cc1OC ZINC000330346242 444945918 /nfs/dbraw/zinc/94/59/18/444945918.db2.gz GGSBCUQKGHWJOG-DXCKQFNASA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1OC ZINC000330346242 444945919 /nfs/dbraw/zinc/94/59/19/444945919.db2.gz GGSBCUQKGHWJOG-DXCKQFNASA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1OC ZINC000330346242 444945922 /nfs/dbraw/zinc/94/59/22/444945922.db2.gz GGSBCUQKGHWJOG-DXCKQFNASA-N 1 2 349.431 1.695 20 30 EDEDLO C[C@H](C(=O)Nc1nccs1)[N@@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000330348412 444947471 /nfs/dbraw/zinc/94/74/71/444947471.db2.gz IRFONOOEGYWECI-NXEZZACHSA-N 1 2 349.420 1.147 20 30 EDEDLO C[C@H](C(=O)Nc1nccs1)[N@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000330348412 444947477 /nfs/dbraw/zinc/94/74/77/444947477.db2.gz IRFONOOEGYWECI-NXEZZACHSA-N 1 2 349.420 1.147 20 30 EDEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)CCC2 ZINC000330411995 444970435 /nfs/dbraw/zinc/97/04/35/444970435.db2.gz LVMLVGICTNQPLF-CHWSQXEVSA-N 1 2 325.438 1.137 20 30 EDEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000330425633 444977053 /nfs/dbraw/zinc/97/70/53/444977053.db2.gz JFCRCJNGRKBHAV-UHFFFAOYSA-N 1 2 345.509 1.316 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CC)Cc2ccccc2)C1=O ZINC000337204607 444985426 /nfs/dbraw/zinc/98/54/26/444985426.db2.gz IAEJKFQQJJJDBW-QGZVFWFLSA-N 1 2 329.444 1.754 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CC)Cc2ccccc2)C1=O ZINC000337204607 444985430 /nfs/dbraw/zinc/98/54/30/444985430.db2.gz IAEJKFQQJJJDBW-QGZVFWFLSA-N 1 2 329.444 1.754 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000330486081 445001290 /nfs/dbraw/zinc/00/12/90/445001290.db2.gz CYFZGOUIMZXSRO-PXWWUCIGSA-N 1 2 341.358 1.511 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000330486081 445001294 /nfs/dbraw/zinc/00/12/94/445001294.db2.gz CYFZGOUIMZXSRO-PXWWUCIGSA-N 1 2 341.358 1.511 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337276813 445012826 /nfs/dbraw/zinc/01/28/26/445012826.db2.gz REWUXOIKWHWBOZ-JOYOIKCWSA-N 1 2 343.786 1.502 20 30 EDEDLO COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000337391941 445060497 /nfs/dbraw/zinc/06/04/97/445060497.db2.gz HRRBTLBNFQRCFK-HHXXYDBFSA-N 1 2 343.427 1.611 20 30 EDEDLO COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000337391941 445060500 /nfs/dbraw/zinc/06/05/00/445060500.db2.gz HRRBTLBNFQRCFK-HHXXYDBFSA-N 1 2 343.427 1.611 20 30 EDEDLO CC(C)N1C(=O)N[C@H]2C[N@@H+](Cc3cnc4ccc(C#N)cn34)CC[C@@H]21 ZINC000344722352 445135891 /nfs/dbraw/zinc/13/58/91/445135891.db2.gz TWEZIQOEXQQMMB-HOTGVXAUSA-N 1 2 338.415 1.582 20 30 EDEDLO CC(C)N1C(=O)N[C@H]2C[N@H+](Cc3cnc4ccc(C#N)cn34)CC[C@@H]21 ZINC000344722352 445135897 /nfs/dbraw/zinc/13/58/97/445135897.db2.gz TWEZIQOEXQQMMB-HOTGVXAUSA-N 1 2 338.415 1.582 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000330781603 445138171 /nfs/dbraw/zinc/13/81/71/445138171.db2.gz OPCFJJFYOCRZHP-CQSZACIVSA-N 1 2 344.463 1.706 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000330781603 445138176 /nfs/dbraw/zinc/13/81/76/445138176.db2.gz OPCFJJFYOCRZHP-CQSZACIVSA-N 1 2 344.463 1.706 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000341993206 445111177 /nfs/dbraw/zinc/11/11/77/445111177.db2.gz ORGXYKQERSCEPF-UHFFFAOYSA-N 1 2 337.370 1.833 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CNc1ccc(C#N)cn1 ZINC000345338066 445181758 /nfs/dbraw/zinc/18/17/58/445181758.db2.gz ZMJAZTHNTMFTGB-UHFFFAOYSA-N 1 2 334.383 1.840 20 30 EDEDLO CNC(=O)[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330799421 445146747 /nfs/dbraw/zinc/14/67/47/445146747.db2.gz GZAZTLHCLRPWPL-SNVBAGLBSA-N 1 2 347.341 1.317 20 30 EDEDLO N#CCC1(CS(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000346460521 445215536 /nfs/dbraw/zinc/21/55/36/445215536.db2.gz YUTYASKREZDWPI-UHFFFAOYSA-N 1 2 333.457 1.828 20 30 EDEDLO C=CCCS(=O)(=O)N(C)C[C@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000343500447 445234761 /nfs/dbraw/zinc/23/47/61/445234761.db2.gz PDKNCEQGWKJAGT-IAGOWNOFSA-N 1 2 338.473 1.896 20 30 EDEDLO C=CCCS(=O)(=O)N(C)C[C@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000343500447 445234763 /nfs/dbraw/zinc/23/47/63/445234763.db2.gz PDKNCEQGWKJAGT-IAGOWNOFSA-N 1 2 338.473 1.896 20 30 EDEDLO C=CC1CC[NH+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000348189317 445311046 /nfs/dbraw/zinc/31/10/46/445311046.db2.gz QHQJLKCVVVFGDT-UHFFFAOYSA-N 1 2 336.457 1.604 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)c(C#N)c1C ZINC000362410475 445367178 /nfs/dbraw/zinc/36/71/78/445367178.db2.gz NVILIFIWOSKIDC-XIKOKIGWSA-N 1 2 344.415 1.697 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CNC(=O)C3)C2)c(C#N)c1C ZINC000362410475 445367180 /nfs/dbraw/zinc/36/71/80/445367180.db2.gz NVILIFIWOSKIDC-XIKOKIGWSA-N 1 2 344.415 1.697 20 30 EDEDLO CCCn1nc2c(cc1=O)C[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)CC2 ZINC000362454701 445391100 /nfs/dbraw/zinc/39/11/00/445391100.db2.gz VCISIPLJHMJMRM-CQSZACIVSA-N 1 2 345.447 1.020 20 30 EDEDLO CCCn1nc2c(cc1=O)C[N@H+](CC(=O)N(CC)C[C@H](C)C#N)CC2 ZINC000362454701 445391103 /nfs/dbraw/zinc/39/11/03/445391103.db2.gz VCISIPLJHMJMRM-CQSZACIVSA-N 1 2 345.447 1.020 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000352017723 445441238 /nfs/dbraw/zinc/44/12/38/445441238.db2.gz JIQZGRNJCMTCIU-HDMKZQKVSA-N 1 2 342.443 1.680 20 30 EDEDLO N#CCCn1ccc(NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)n1 ZINC000352749551 445553156 /nfs/dbraw/zinc/55/31/56/445553156.db2.gz RGLBSJZQGJYYHV-UHFFFAOYSA-N 1 2 336.359 2.081 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000352841055 445558193 /nfs/dbraw/zinc/55/81/93/445558193.db2.gz YRUKDALMQMVRHN-IBGZPJMESA-N 1 2 348.491 1.767 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)CC2(C#N)CCC2)C1 ZINC000349462455 445594420 /nfs/dbraw/zinc/59/44/20/445594420.db2.gz ZTUHQRHRJTXFTD-HNNXBMFYSA-N 1 2 341.477 1.053 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)CC2(C#N)CCC2)C1 ZINC000349462455 445594421 /nfs/dbraw/zinc/59/44/21/445594421.db2.gz ZTUHQRHRJTXFTD-HNNXBMFYSA-N 1 2 341.477 1.053 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)c1C#N ZINC000349882249 445710534 /nfs/dbraw/zinc/71/05/34/445710534.db2.gz MRUXNNIRHMKSGJ-CYBMUJFWSA-N 1 2 332.452 1.025 20 30 EDEDLO C=CCCCCNC(=O)NC[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000349906130 445718015 /nfs/dbraw/zinc/71/80/15/445718015.db2.gz GNFJNICWEOOBGW-HUUCEWRRSA-N 1 2 337.443 1.988 20 30 EDEDLO C=CCOC[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)C(=O)OC ZINC000360724943 445726401 /nfs/dbraw/zinc/72/64/01/445726401.db2.gz GRGBCXSYNHFADY-HNNXBMFYSA-N 1 2 329.356 1.346 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(F)ccc(O)c2F)CC1 ZINC000350439218 445829414 /nfs/dbraw/zinc/82/94/14/445829414.db2.gz MOMSPZOTXFHDSC-UHFFFAOYSA-N 1 2 325.359 1.090 20 30 EDEDLO N#CCN1CCC[C@@H](CNC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000354083734 445892986 /nfs/dbraw/zinc/89/29/86/445892986.db2.gz CDVGLPUKDAKQKE-ZDUSSCGKSA-N 1 2 328.407 1.315 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1F ZINC000361805156 445958958 /nfs/dbraw/zinc/95/89/58/445958958.db2.gz XXCDZZTYDRKOLM-UHFFFAOYSA-N 1 2 341.346 1.765 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1F ZINC000361805156 445958962 /nfs/dbraw/zinc/95/89/62/445958962.db2.gz XXCDZZTYDRKOLM-UHFFFAOYSA-N 1 2 341.346 1.765 20 30 EDEDLO CN1CC[C@@H]([N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000364983349 445973560 /nfs/dbraw/zinc/97/35/60/445973560.db2.gz GUJZEHGBALPPEP-JKSUJKDBSA-N 1 2 326.400 1.216 20 30 EDEDLO CN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000364983349 445973567 /nfs/dbraw/zinc/97/35/67/445973567.db2.gz GUJZEHGBALPPEP-JKSUJKDBSA-N 1 2 326.400 1.216 20 30 EDEDLO CC(C)(C)CN(CCC#N)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000354150201 445949350 /nfs/dbraw/zinc/94/93/50/445949350.db2.gz SAGCNTQMFNLXDF-UHFFFAOYSA-N 1 2 338.496 1.475 20 30 EDEDLO N#CCC[C@H](C#N)C[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000369240841 446016274 /nfs/dbraw/zinc/01/62/74/446016274.db2.gz DRMGHAJVJGTGAU-CQSZACIVSA-N 1 2 326.404 1.136 20 30 EDEDLO N#CCC[C@H](C#N)C[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000369240841 446016279 /nfs/dbraw/zinc/01/62/79/446016279.db2.gz DRMGHAJVJGTGAU-CQSZACIVSA-N 1 2 326.404 1.136 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)C(=O)N1CCc2ccc(C#N)cc21)C1CC1 ZINC000356791060 446024113 /nfs/dbraw/zinc/02/41/13/446024113.db2.gz YGVHQIBWGSVLDG-MRXNPFEDSA-N 1 2 349.394 1.448 20 30 EDEDLO N#CCCCS(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000365112128 446032749 /nfs/dbraw/zinc/03/27/49/446032749.db2.gz FYHQBCRUSIYUJU-UHFFFAOYSA-N 1 2 329.466 1.245 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cnc4c(C#N)cnn4c3)[C@@H]2C1 ZINC000583322927 326050512 /nfs/dbraw/zinc/05/05/12/326050512.db2.gz KJRDTNOUXDQVAI-BZUAXINKSA-N 1 2 327.388 1.369 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cnc4c(C#N)cnn4c3)[C@@H]2C1 ZINC000583322927 326050515 /nfs/dbraw/zinc/05/05/15/326050515.db2.gz KJRDTNOUXDQVAI-BZUAXINKSA-N 1 2 327.388 1.369 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000583641194 326110930 /nfs/dbraw/zinc/11/09/30/326110930.db2.gz HHQKMKFTTWYCRW-MRXNPFEDSA-N 1 2 349.456 1.434 20 30 EDEDLO CC[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)C[C@H]1[NH+]1CCOCC1 ZINC000366355456 446169743 /nfs/dbraw/zinc/16/97/43/446169743.db2.gz RYWHLUXVMRLUHN-SJLPKXTDSA-N 1 2 342.443 1.539 20 30 EDEDLO COCCc1noc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000366438624 446213999 /nfs/dbraw/zinc/21/39/99/446213999.db2.gz LOSJCADDVNRAQV-ZDUSSCGKSA-N 1 2 329.360 1.178 20 30 EDEDLO COCCc1noc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000366438624 446214003 /nfs/dbraw/zinc/21/40/03/446214003.db2.gz LOSJCADDVNRAQV-ZDUSSCGKSA-N 1 2 329.360 1.178 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000366590145 446271682 /nfs/dbraw/zinc/27/16/82/446271682.db2.gz LIOKTKGQKAKTFQ-KDOFPFPSSA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000366590145 446271686 /nfs/dbraw/zinc/27/16/86/446271686.db2.gz LIOKTKGQKAKTFQ-KDOFPFPSSA-N 1 2 329.400 1.767 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366597510 446275869 /nfs/dbraw/zinc/27/58/69/446275869.db2.gz NSOOSRLOSDPDEQ-AWEZNQCLSA-N 1 2 330.388 1.552 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366597510 446275874 /nfs/dbraw/zinc/27/58/74/446275874.db2.gz NSOOSRLOSDPDEQ-AWEZNQCLSA-N 1 2 330.388 1.552 20 30 EDEDLO C=C(C)CS(=O)(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000366690333 446312200 /nfs/dbraw/zinc/31/22/00/446312200.db2.gz ZXHYZQGZVXNDJF-UHFFFAOYSA-N 1 2 326.466 1.317 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](CC)Cc1cn(C)nn1 ZINC000359626778 446326011 /nfs/dbraw/zinc/32/60/11/446326011.db2.gz BPEGJMBSKZAEGK-KRWDZBQOSA-N 1 2 330.432 1.805 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](CC)Cc1cn(C)nn1 ZINC000359626778 446326016 /nfs/dbraw/zinc/32/60/16/446326016.db2.gz BPEGJMBSKZAEGK-KRWDZBQOSA-N 1 2 330.432 1.805 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366786451 446351040 /nfs/dbraw/zinc/35/10/40/446351040.db2.gz JFABKSFBNKVZGB-JOCBIADPSA-N 1 2 337.464 1.699 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366786451 446351044 /nfs/dbraw/zinc/35/10/44/446351044.db2.gz JFABKSFBNKVZGB-JOCBIADPSA-N 1 2 337.464 1.699 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1F ZINC000376345843 446443923 /nfs/dbraw/zinc/44/39/23/446443923.db2.gz DAAIOOGRQLHSCM-SWLSCSKDSA-N 1 2 339.798 1.783 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1F ZINC000376345843 446443926 /nfs/dbraw/zinc/44/39/26/446443926.db2.gz DAAIOOGRQLHSCM-SWLSCSKDSA-N 1 2 339.798 1.783 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1F ZINC000376345841 446444024 /nfs/dbraw/zinc/44/40/24/446444024.db2.gz DAAIOOGRQLHSCM-DOMZBBRYSA-N 1 2 339.798 1.783 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1F ZINC000376345841 446444027 /nfs/dbraw/zinc/44/40/27/446444027.db2.gz DAAIOOGRQLHSCM-DOMZBBRYSA-N 1 2 339.798 1.783 20 30 EDEDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367067940 446500474 /nfs/dbraw/zinc/50/04/74/446500474.db2.gz UWFMPTUWDSAZAE-UHFFFAOYSA-N 1 2 326.360 1.781 20 30 EDEDLO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000453464369 446557932 /nfs/dbraw/zinc/55/79/32/446557932.db2.gz KYTSSLLIZDDOFZ-MRXNPFEDSA-N 1 2 349.479 1.864 20 30 EDEDLO C#CCCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000367808128 446592815 /nfs/dbraw/zinc/59/28/15/446592815.db2.gz ZENOEWHPLYXCIF-MRXNPFEDSA-N 1 2 347.440 1.851 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000368334980 446793927 /nfs/dbraw/zinc/79/39/27/446793927.db2.gz XPEJEGVJNVQNKK-QGZVFWFLSA-N 1 2 332.448 1.923 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000368334980 446793934 /nfs/dbraw/zinc/79/39/34/446793934.db2.gz XPEJEGVJNVQNKK-QGZVFWFLSA-N 1 2 332.448 1.923 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376949988 446817321 /nfs/dbraw/zinc/81/73/21/446817321.db2.gz QFZWMVKRLHVNGO-HOTGVXAUSA-N 1 2 337.464 1.028 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375465612 446820831 /nfs/dbraw/zinc/82/08/31/446820831.db2.gz OYCFYCJYYFEPNI-SUMWQHHRSA-N 1 2 331.420 1.791 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375465612 446820840 /nfs/dbraw/zinc/82/08/40/446820840.db2.gz OYCFYCJYYFEPNI-SUMWQHHRSA-N 1 2 331.420 1.791 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000440274920 446841612 /nfs/dbraw/zinc/84/16/12/446841612.db2.gz IEARJKZRCORLDR-ZDUSSCGKSA-N 1 2 344.415 1.446 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000440274920 446841623 /nfs/dbraw/zinc/84/16/23/446841623.db2.gz IEARJKZRCORLDR-ZDUSSCGKSA-N 1 2 344.415 1.446 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(c2ncccc2F)CC1)C1CC1 ZINC000375527026 446873348 /nfs/dbraw/zinc/87/33/48/446873348.db2.gz VSXBSPXOHWMMJZ-SFHVURJKSA-N 1 2 345.422 1.541 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(c2ncccc2F)CC1)C1CC1 ZINC000375527026 446873356 /nfs/dbraw/zinc/87/33/56/446873356.db2.gz VSXBSPXOHWMMJZ-SFHVURJKSA-N 1 2 345.422 1.541 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1)OCC ZINC000412355097 446945743 /nfs/dbraw/zinc/94/57/43/446945743.db2.gz AQJWXJCDGZNYSJ-CABCVRRESA-N 1 2 326.437 1.359 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1)OCC ZINC000412355097 446945747 /nfs/dbraw/zinc/94/57/47/446945747.db2.gz AQJWXJCDGZNYSJ-CABCVRRESA-N 1 2 326.437 1.359 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000371760046 446958705 /nfs/dbraw/zinc/95/87/05/446958705.db2.gz UZLXVBQOTQFIQX-LJQANCHMSA-N 1 2 347.418 1.997 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000371760046 446958710 /nfs/dbraw/zinc/95/87/10/446958710.db2.gz UZLXVBQOTQFIQX-LJQANCHMSA-N 1 2 347.418 1.997 20 30 EDEDLO CCN1CCO[C@@H](C[NH+]2CCN(Cc3cc(C#N)ccc3F)CC2)C1 ZINC000368673373 447023065 /nfs/dbraw/zinc/02/30/65/447023065.db2.gz SKWLXYHKAGOYKY-GOSISDBHSA-N 1 2 346.450 1.536 20 30 EDEDLO C=C(C)CCNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000454870346 446993196 /nfs/dbraw/zinc/99/31/96/446993196.db2.gz XKEYCRPIINTYDP-UHFFFAOYSA-N 1 2 325.453 1.522 20 30 EDEDLO C=CC[C@@H](CO)CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443045523 446999379 /nfs/dbraw/zinc/99/93/79/446999379.db2.gz HYLOJUCDAXBFCW-CQSZACIVSA-N 1 2 335.429 1.394 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000616509218 450438617 /nfs/dbraw/zinc/43/86/17/450438617.db2.gz UXLABEOBJZXKLQ-INIZCTEOSA-N 1 2 328.416 1.772 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1c[nH+]ccc1-n1ccnn1 ZINC000377454084 447141898 /nfs/dbraw/zinc/14/18/98/447141898.db2.gz ZCEDTDPYDNMSLO-GFCCVEGCSA-N 1 2 334.339 1.940 20 30 EDEDLO CC(C)(C)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1=O ZINC000425399258 447145025 /nfs/dbraw/zinc/14/50/25/447145025.db2.gz AVQLXSFMJZMGIB-HNNXBMFYSA-N 1 2 327.432 1.475 20 30 EDEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(C)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000447295059 447272205 /nfs/dbraw/zinc/27/22/05/447272205.db2.gz IXUSBXKQMDEXJD-CQSZACIVSA-N 1 2 337.445 1.394 20 30 EDEDLO C=CC[N@H+](CCC(=O)Nc1ccc(C)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000447295059 447272209 /nfs/dbraw/zinc/27/22/09/447272209.db2.gz IXUSBXKQMDEXJD-CQSZACIVSA-N 1 2 337.445 1.394 20 30 EDEDLO C=C[C@H](C)NC(=O)N1CCO[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000447966491 447300157 /nfs/dbraw/zinc/30/01/57/447300157.db2.gz WJWBDVJHWWHLFK-UONOGXRCSA-N 1 2 341.452 1.245 20 30 EDEDLO C=C[C@H](C)NC(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000447966491 447300162 /nfs/dbraw/zinc/30/01/62/447300162.db2.gz WJWBDVJHWWHLFK-UONOGXRCSA-N 1 2 341.452 1.245 20 30 EDEDLO C=CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000495393324 447502382 /nfs/dbraw/zinc/50/23/82/447502382.db2.gz NVUSIBYOTNRUDL-ZDUSSCGKSA-N 1 2 346.493 1.965 20 30 EDEDLO C=CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000495393324 447502388 /nfs/dbraw/zinc/50/23/88/447502388.db2.gz NVUSIBYOTNRUDL-ZDUSSCGKSA-N 1 2 346.493 1.965 20 30 EDEDLO CC[C@H]1C[N@H+](CCNc2ncc(Br)cc2C#N)CCO1 ZINC000450481279 447503128 /nfs/dbraw/zinc/50/31/28/447503128.db2.gz DIDIILWBLQQVDH-ZDUSSCGKSA-N 1 2 339.237 2.238 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNc2ncc(Br)cc2C#N)CCO1 ZINC000450481279 447503136 /nfs/dbraw/zinc/50/31/36/447503136.db2.gz DIDIILWBLQQVDH-ZDUSSCGKSA-N 1 2 339.237 2.238 20 30 EDEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000427036575 447533320 /nfs/dbraw/zinc/53/33/20/447533320.db2.gz YVOZRKTXCHMJQN-LLVKDONJSA-N 1 2 343.774 1.478 20 30 EDEDLO C=CCC[C@H](CO)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000457737467 447623955 /nfs/dbraw/zinc/62/39/55/447623955.db2.gz LLLBHKSJILZUIH-MSOLQXFVSA-N 1 2 347.459 1.686 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459261515 447625319 /nfs/dbraw/zinc/62/53/19/447625319.db2.gz RXAPXYCEMDGQMU-HNNXBMFYSA-N 1 2 349.479 1.264 20 30 EDEDLO C=C(C)CS(=O)(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495960618 447676733 /nfs/dbraw/zinc/67/67/33/447676733.db2.gz MXVAIHKPCYZGGR-CYBMUJFWSA-N 1 2 347.481 1.033 20 30 EDEDLO C=C(C)CS(=O)(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495960618 447676735 /nfs/dbraw/zinc/67/67/35/447676735.db2.gz MXVAIHKPCYZGGR-CYBMUJFWSA-N 1 2 347.481 1.033 20 30 EDEDLO CN(C[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1)S(C)(=O)=O ZINC000428976841 447720759 /nfs/dbraw/zinc/72/07/59/447720759.db2.gz KZECSKBRLAFKFJ-ZDUSSCGKSA-N 1 2 339.436 1.801 20 30 EDEDLO CN(C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1)S(C)(=O)=O ZINC000428976841 447720763 /nfs/dbraw/zinc/72/07/63/447720763.db2.gz KZECSKBRLAFKFJ-ZDUSSCGKSA-N 1 2 339.436 1.801 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC3(CC#N)CC3)c[nH+]2)CCO1 ZINC000430153152 447766623 /nfs/dbraw/zinc/76/66/23/447766623.db2.gz DKLWSJGLQCQHQY-CQSZACIVSA-N 1 2 343.431 1.800 20 30 EDEDLO CCOc1cccc(C[N@H+](CCO)CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000452055573 447808177 /nfs/dbraw/zinc/80/81/77/447808177.db2.gz UTHRIEOCHDDCLE-LJQANCHMSA-N 1 2 347.459 1.934 20 30 EDEDLO CCOc1cccc(C[N@@H+](CCO)CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000452055573 447808181 /nfs/dbraw/zinc/80/81/81/447808181.db2.gz UTHRIEOCHDDCLE-LJQANCHMSA-N 1 2 347.459 1.934 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ncccc1C#N ZINC000496619376 447834354 /nfs/dbraw/zinc/83/43/54/447834354.db2.gz YMGZQDKKMBHWEX-AWEZNQCLSA-N 1 2 331.420 1.916 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1ncccc1C#N ZINC000496619376 447834355 /nfs/dbraw/zinc/83/43/55/447834355.db2.gz YMGZQDKKMBHWEX-AWEZNQCLSA-N 1 2 331.420 1.916 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000530337069 447863643 /nfs/dbraw/zinc/86/36/43/447863643.db2.gz KAFZDOOAJNZYGH-ZDUSSCGKSA-N 1 2 342.447 1.360 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000530336853 447862335 /nfs/dbraw/zinc/86/23/35/447862335.db2.gz CWHXGSWUFAZVLR-OCCSQVGLSA-N 1 2 342.447 1.812 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000530336853 447862340 /nfs/dbraw/zinc/86/23/40/447862340.db2.gz CWHXGSWUFAZVLR-OCCSQVGLSA-N 1 2 342.447 1.812 20 30 EDEDLO CCc1noc(C)c1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000530360954 447869501 /nfs/dbraw/zinc/86/95/01/447869501.db2.gz PJGWSWXORNVKRH-UHFFFAOYSA-N 1 2 328.420 1.781 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCCN(C)c3ccccc32)CC1 ZINC000490840039 447899015 /nfs/dbraw/zinc/89/90/15/447899015.db2.gz LIFJHTGTWLCKLS-UHFFFAOYSA-N 1 2 326.444 1.110 20 30 EDEDLO C=C(C)CONC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497171371 447919785 /nfs/dbraw/zinc/91/97/85/447919785.db2.gz HSNZMPKKZFADGZ-CYBMUJFWSA-N 1 2 342.440 1.344 20 30 EDEDLO C=C(C)CONC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497171371 447919788 /nfs/dbraw/zinc/91/97/88/447919788.db2.gz HSNZMPKKZFADGZ-CYBMUJFWSA-N 1 2 342.440 1.344 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000491107204 447926148 /nfs/dbraw/zinc/92/61/48/447926148.db2.gz ZXFQDLLVISOQRD-UHFFFAOYSA-N 1 2 327.432 1.452 20 30 EDEDLO Cc1ccc([C@@H](CNc2ccc(C#N)c(N)n2)[NH+]2CCOCC2)o1 ZINC000570462152 448021068 /nfs/dbraw/zinc/02/10/68/448021068.db2.gz AVPUPSOSGJJHNB-CQSZACIVSA-N 1 2 327.388 1.922 20 30 EDEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1-c1ccccc1F ZINC000570635921 448040699 /nfs/dbraw/zinc/04/06/99/448040699.db2.gz ZXFRTDAEUMTNHG-QGZVFWFLSA-N 1 2 329.379 1.894 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N(CCC#N)CC3CC3)ccc2n1C ZINC000525884154 448047199 /nfs/dbraw/zinc/04/71/99/448047199.db2.gz REKGOVWILKGRGP-UHFFFAOYSA-N 1 2 339.399 1.973 20 30 EDEDLO CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000555055768 448060368 /nfs/dbraw/zinc/06/03/68/448060368.db2.gz IGOJCDJTHSRBEZ-UHFFFAOYSA-N 1 2 340.431 1.605 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2F)CCC3=O)CC1 ZINC000491751180 448103998 /nfs/dbraw/zinc/10/39/98/448103998.db2.gz XMGRUZHXMFOBEV-UHFFFAOYSA-N 1 2 330.359 1.111 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576759194 448134232 /nfs/dbraw/zinc/13/42/32/448134232.db2.gz UXJAJGYJPRSEPK-CJNGLKHVSA-N 1 2 330.388 1.761 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)c2c[nH]c3ncccc23)C1=O ZINC000531948801 448175049 /nfs/dbraw/zinc/17/50/49/448175049.db2.gz VLEYCDMRFOOPFY-IUODEOHRSA-N 1 2 326.400 1.853 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)c2c[nH]c3ncccc23)C1=O ZINC000531948801 448175053 /nfs/dbraw/zinc/17/50/53/448175053.db2.gz VLEYCDMRFOOPFY-IUODEOHRSA-N 1 2 326.400 1.853 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NCC3(C#N)CCC3)nc2)CC1 ZINC000514663649 448181234 /nfs/dbraw/zinc/18/12/34/448181234.db2.gz OAVXZGBQDWKALF-UHFFFAOYSA-N 1 2 349.460 1.123 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CC#N)CC1 ZINC000514696339 448187522 /nfs/dbraw/zinc/18/75/22/448187522.db2.gz HNZNPTFREAIDBY-INIZCTEOSA-N 1 2 345.447 1.635 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CC#N)CC1 ZINC000514696339 448187524 /nfs/dbraw/zinc/18/75/24/448187524.db2.gz HNZNPTFREAIDBY-INIZCTEOSA-N 1 2 345.447 1.635 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CCC1 ZINC000560265382 448213237 /nfs/dbraw/zinc/21/32/37/448213237.db2.gz WJPZOOHJAZGJGC-MAUKXSAKSA-N 1 2 331.391 1.349 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)CCC1 ZINC000560265382 448213242 /nfs/dbraw/zinc/21/32/42/448213242.db2.gz WJPZOOHJAZGJGC-MAUKXSAKSA-N 1 2 331.391 1.349 20 30 EDEDLO Cc1ccc([C@@H](CNC(=O)NCC2(C#N)CC2)[NH+]2CCOCC2)cc1 ZINC000582523362 448260197 /nfs/dbraw/zinc/26/01/97/448260197.db2.gz IEHINKLLHGICCA-QGZVFWFLSA-N 1 2 342.443 1.971 20 30 EDEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 ZINC000562680994 448264601 /nfs/dbraw/zinc/26/46/01/448264601.db2.gz GHNUWMQDNSSBTN-UHFFFAOYSA-N 1 2 337.383 1.379 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000582782989 448337830 /nfs/dbraw/zinc/33/78/30/448337830.db2.gz QDSCXVBISYKISS-BMFZPTHFSA-N 1 2 325.478 1.637 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000582782989 448337833 /nfs/dbraw/zinc/33/78/33/448337833.db2.gz QDSCXVBISYKISS-BMFZPTHFSA-N 1 2 325.478 1.637 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000577888090 448412260 /nfs/dbraw/zinc/41/22/60/448412260.db2.gz HJMVRQDXWZHBJK-KRWDZBQOSA-N 1 2 342.424 1.430 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)[C@H]1CCNC1=O ZINC000534661784 448463189 /nfs/dbraw/zinc/46/31/89/448463189.db2.gz YFFBBUIYGCACIQ-SKDRFNHKSA-N 1 2 332.429 1.256 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)[C@H]1CCNC1=O ZINC000534661784 448463191 /nfs/dbraw/zinc/46/31/91/448463191.db2.gz YFFBBUIYGCACIQ-SKDRFNHKSA-N 1 2 332.429 1.256 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1C#N ZINC000535207834 448491074 /nfs/dbraw/zinc/49/10/74/448491074.db2.gz TWVPFYTZGKJYHZ-CQSZACIVSA-N 1 2 342.399 1.334 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1C#N ZINC000535207834 448491077 /nfs/dbraw/zinc/49/10/77/448491077.db2.gz TWVPFYTZGKJYHZ-CQSZACIVSA-N 1 2 342.399 1.334 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCSC[C@@H]3CO)C2=O)cc1 ZINC000516920803 448496536 /nfs/dbraw/zinc/49/65/36/448496536.db2.gz HKKRTUDEVJLDPI-HOTGVXAUSA-N 1 2 331.441 1.463 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCSC[C@@H]3CO)C2=O)cc1 ZINC000516920803 448496541 /nfs/dbraw/zinc/49/65/41/448496541.db2.gz HKKRTUDEVJLDPI-HOTGVXAUSA-N 1 2 331.441 1.463 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)nc1 ZINC000535782230 448507219 /nfs/dbraw/zinc/50/72/19/448507219.db2.gz YHDCUQGWHPGZED-UHFFFAOYSA-N 1 2 349.442 1.666 20 30 EDEDLO CC(C)N1C(=O)C[N@H+](C[C@H](O)COc2ccccc2C#N)CC1(C)C ZINC000528389042 448509229 /nfs/dbraw/zinc/50/92/29/448509229.db2.gz KTAPRZQBMINRAI-INIZCTEOSA-N 1 2 345.443 1.629 20 30 EDEDLO CC(C)N1C(=O)C[N@@H+](C[C@H](O)COc2ccccc2C#N)CC1(C)C ZINC000528389042 448509233 /nfs/dbraw/zinc/50/92/33/448509233.db2.gz KTAPRZQBMINRAI-INIZCTEOSA-N 1 2 345.443 1.629 20 30 EDEDLO CCC[C@@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528428041 448525059 /nfs/dbraw/zinc/52/50/59/448525059.db2.gz YJHUPIOZDVZYOD-OAHLLOKOSA-N 1 2 326.396 1.787 20 30 EDEDLO CCC[C@@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000528428041 448525063 /nfs/dbraw/zinc/52/50/63/448525063.db2.gz YJHUPIOZDVZYOD-OAHLLOKOSA-N 1 2 326.396 1.787 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000528519756 448566404 /nfs/dbraw/zinc/56/64/04/448566404.db2.gz JEOMRJYAOXOHTD-GOSISDBHSA-N 1 2 338.407 1.787 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000528519756 448566407 /nfs/dbraw/zinc/56/64/07/448566407.db2.gz JEOMRJYAOXOHTD-GOSISDBHSA-N 1 2 338.407 1.787 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000578724601 448617496 /nfs/dbraw/zinc/61/74/96/448617496.db2.gz SVJXLEZQBLKQEN-CMPLNLGQSA-N 1 2 332.385 1.748 20 30 EDEDLO CC[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@]2(CCOC2)O1 ZINC000567167289 448628123 /nfs/dbraw/zinc/62/81/23/448628123.db2.gz MGFSVGGYDJMKDU-DOTOQJQBSA-N 1 2 327.388 1.371 20 30 EDEDLO CC[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@]2(CCOC2)O1 ZINC000567167289 448628126 /nfs/dbraw/zinc/62/81/26/448628126.db2.gz MGFSVGGYDJMKDU-DOTOQJQBSA-N 1 2 327.388 1.371 20 30 EDEDLO Cn1ncc2c1nc(N)[nH+]c2N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000578765436 448632908 /nfs/dbraw/zinc/63/29/08/448632908.db2.gz AVGZHFRJRCIWMI-UHFFFAOYSA-N 1 2 349.398 1.865 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130143 448699011 /nfs/dbraw/zinc/69/90/11/448699011.db2.gz TWELRMAJNRPAKS-KBPBESRZSA-N 1 2 340.418 1.743 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130143 448699019 /nfs/dbraw/zinc/69/90/19/448699019.db2.gz TWELRMAJNRPAKS-KBPBESRZSA-N 1 2 340.418 1.743 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592131129 448700669 /nfs/dbraw/zinc/70/06/69/448700669.db2.gz RLFDEUORQPFDKS-DOMZBBRYSA-N 1 2 334.370 1.910 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592131129 448700672 /nfs/dbraw/zinc/70/06/72/448700672.db2.gz RLFDEUORQPFDKS-DOMZBBRYSA-N 1 2 334.370 1.910 20 30 EDEDLO Cc1ccc([C@@H](NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)C2CC2)cc1 ZINC000592147727 448707487 /nfs/dbraw/zinc/70/74/87/448707487.db2.gz RNSQCPSTZDAMTC-RTBURBONSA-N 1 2 327.428 1.913 20 30 EDEDLO Cc1ccc([C@@H](NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)C2CC2)cc1 ZINC000592147727 448707493 /nfs/dbraw/zinc/70/74/93/448707493.db2.gz RNSQCPSTZDAMTC-RTBURBONSA-N 1 2 327.428 1.913 20 30 EDEDLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000592149892 448710547 /nfs/dbraw/zinc/71/05/47/448710547.db2.gz ZCPMJWQHXXJWBV-QGZVFWFLSA-N 1 2 333.388 1.341 20 30 EDEDLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000592149892 448710552 /nfs/dbraw/zinc/71/05/52/448710552.db2.gz ZCPMJWQHXXJWBV-QGZVFWFLSA-N 1 2 333.388 1.341 20 30 EDEDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CC[C@@](O)(CC#N)C3)c2c1 ZINC000592151081 448712067 /nfs/dbraw/zinc/71/20/67/448712067.db2.gz KFBILLSHNRCMNW-SFHVURJKSA-N 1 2 341.367 1.488 20 30 EDEDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CC[C@@](O)(CC#N)C3)c2c1 ZINC000592151081 448712069 /nfs/dbraw/zinc/71/20/69/448712069.db2.gz KFBILLSHNRCMNW-SFHVURJKSA-N 1 2 341.367 1.488 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000592151280 448712174 /nfs/dbraw/zinc/71/21/74/448712174.db2.gz LHKYVAZFYIBDDG-GOEBONIOSA-N 1 2 337.782 1.935 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000592151280 448712178 /nfs/dbraw/zinc/71/21/78/448712178.db2.gz LHKYVAZFYIBDDG-GOEBONIOSA-N 1 2 337.782 1.935 20 30 EDEDLO CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592151409 448712266 /nfs/dbraw/zinc/71/22/66/448712266.db2.gz OMWDVGVERIRCOY-IBGZPJMESA-N 1 2 345.443 1.655 20 30 EDEDLO CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592151409 448712271 /nfs/dbraw/zinc/71/22/71/448712271.db2.gz OMWDVGVERIRCOY-IBGZPJMESA-N 1 2 345.443 1.655 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)c1C ZINC000592201994 448739228 /nfs/dbraw/zinc/73/92/28/448739228.db2.gz OOICWFRONSKZJM-GJZGRUSLSA-N 1 2 334.416 1.329 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)c1C ZINC000592201994 448739231 /nfs/dbraw/zinc/73/92/31/448739231.db2.gz OOICWFRONSKZJM-GJZGRUSLSA-N 1 2 334.416 1.329 20 30 EDEDLO N#C[C@H]1CC[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000567726305 448749207 /nfs/dbraw/zinc/74/92/07/448749207.db2.gz SMJRCELXUBXTMS-SQWLQELKSA-N 1 2 338.477 1.186 20 30 EDEDLO Cc1cc(C#N)cc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)n1 ZINC000587862163 448846066 /nfs/dbraw/zinc/84/60/66/448846066.db2.gz NWOJTYQGTKEVFP-UHFFFAOYSA-N 1 2 341.459 1.833 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000581491831 448977808 /nfs/dbraw/zinc/97/78/08/448977808.db2.gz JBBWOWSLLYSTFX-AWEZNQCLSA-N 1 2 342.302 1.770 20 30 EDEDLO C=CCc1ccc(OCC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c(OC)c1 ZINC000522268686 449072009 /nfs/dbraw/zinc/07/20/09/449072009.db2.gz QHSNHRFLUUOZIU-HNNXBMFYSA-N 1 2 348.443 1.639 20 30 EDEDLO C=CCc1ccc(OCC(=O)NCC[N@H+]2CCO[C@@H](C)C2)c(OC)c1 ZINC000522268686 449072011 /nfs/dbraw/zinc/07/20/11/449072011.db2.gz QHSNHRFLUUOZIU-HNNXBMFYSA-N 1 2 348.443 1.639 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(Oc2ccccc2)cn1 ZINC000575320331 449076431 /nfs/dbraw/zinc/07/64/31/449076431.db2.gz QTTVTFIIFDNBHY-QGZVFWFLSA-N 1 2 325.372 1.843 20 30 EDEDLO CCCCC(=O)N1CSC[C@H]1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000582244451 449046972 /nfs/dbraw/zinc/04/69/72/449046972.db2.gz BKPBNALZNMUJCL-WFASDCNBSA-N 1 2 326.466 1.038 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1cccc(Br)c1 ZINC000589827002 449065327 /nfs/dbraw/zinc/06/53/27/449065327.db2.gz XWXAQEOTELLXCZ-AWEZNQCLSA-N 1 2 340.221 1.788 20 30 EDEDLO N#Cc1sccc1N1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000595629068 449090044 /nfs/dbraw/zinc/09/00/44/449090044.db2.gz BHBUMOKEVWYBPT-CYBMUJFWSA-N 1 2 339.486 1.567 20 30 EDEDLO C[C@@]12COC[C@]1(C)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C2 ZINC000595691244 449121001 /nfs/dbraw/zinc/12/10/01/449121001.db2.gz ZTKGGMVEYXTXDG-IYBDPMFKSA-N 1 2 335.429 1.085 20 30 EDEDLO C[C@@]12COC[C@]1(C)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C2 ZINC000595691244 449121005 /nfs/dbraw/zinc/12/10/05/449121005.db2.gz ZTKGGMVEYXTXDG-IYBDPMFKSA-N 1 2 335.429 1.085 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1nc(N2CCCC2)ncc1Cl ZINC000593155363 449154645 /nfs/dbraw/zinc/15/46/45/449154645.db2.gz QUCFJEQQQMUFOR-OAHLLOKOSA-N 1 2 336.827 1.304 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H](C)CO1 ZINC000597992135 449177225 /nfs/dbraw/zinc/17/72/25/449177225.db2.gz AWAKINPUTBUBDL-HUUCEWRRSA-N 1 2 327.428 1.815 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H](C)CO1 ZINC000597992135 449177231 /nfs/dbraw/zinc/17/72/31/449177231.db2.gz AWAKINPUTBUBDL-HUUCEWRRSA-N 1 2 327.428 1.815 20 30 EDEDLO CN(CCOc1ccccc1F)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174013 449199150 /nfs/dbraw/zinc/19/91/50/449199150.db2.gz USEXTUPVOHCNHU-UHFFFAOYSA-N 1 2 348.422 1.194 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@](C)(C#N)C2)c(OC)c1 ZINC000595836125 449199204 /nfs/dbraw/zinc/19/92/04/449199204.db2.gz VXVVJXXOTOETAS-KSSFIOAISA-N 1 2 348.399 1.457 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CC[C@@](C)(C#N)C2)c(OC)c1 ZINC000595836125 449199209 /nfs/dbraw/zinc/19/92/09/449199209.db2.gz VXVVJXXOTOETAS-KSSFIOAISA-N 1 2 348.399 1.457 20 30 EDEDLO C[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1[nH+]ccn1C ZINC000595846138 449203673 /nfs/dbraw/zinc/20/36/73/449203673.db2.gz VCLWFAHFZZSJIB-CYBMUJFWSA-N 1 2 339.403 1.280 20 30 EDEDLO N#Cc1csc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000601887747 449205876 /nfs/dbraw/zinc/20/58/76/449205876.db2.gz JXBYXOZFPFAWOF-UHFFFAOYSA-N 1 2 327.413 1.410 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595828261 449192136 /nfs/dbraw/zinc/19/21/36/449192136.db2.gz JNJFPESSFOQXRA-ZDUSSCGKSA-N 1 2 328.372 1.911 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595828261 449192139 /nfs/dbraw/zinc/19/21/39/449192139.db2.gz JNJFPESSFOQXRA-ZDUSSCGKSA-N 1 2 328.372 1.911 20 30 EDEDLO N#C[C@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000590743205 449264888 /nfs/dbraw/zinc/26/48/88/449264888.db2.gz DEOHTPOEAXQOMU-OAHLLOKOSA-N 1 2 329.291 1.858 20 30 EDEDLO N#C[C@@]1(F)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000590743204 449265037 /nfs/dbraw/zinc/26/50/37/449265037.db2.gz DEOHTPOEAXQOMU-HNNXBMFYSA-N 1 2 329.291 1.858 20 30 EDEDLO N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000602031911 449287841 /nfs/dbraw/zinc/28/78/41/449287841.db2.gz SKCKQBZAZLAYKW-OAHLLOKOSA-N 1 2 341.346 1.696 20 30 EDEDLO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cc(F)cc(C#N)c2)c2[nH+]ccn21 ZINC000602056237 449307311 /nfs/dbraw/zinc/30/73/11/449307311.db2.gz FFJMDMIZZOAZFC-RNCFNFMXSA-N 1 2 327.319 1.655 20 30 EDEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@@H](F)C3)CC2)o1 ZINC000611501973 449311869 /nfs/dbraw/zinc/31/18/69/449311869.db2.gz LIPOCQPDEPOWEZ-JSGCOSHPSA-N 1 2 349.410 1.183 20 30 EDEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@@H](F)C3)CC2)o1 ZINC000611501973 449311876 /nfs/dbraw/zinc/31/18/76/449311876.db2.gz LIPOCQPDEPOWEZ-JSGCOSHPSA-N 1 2 349.410 1.183 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000602104467 449348456 /nfs/dbraw/zinc/34/84/56/449348456.db2.gz ZXFFWEMNLPWXMN-MRXNPFEDSA-N 1 2 339.399 2.018 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000602104467 449348462 /nfs/dbraw/zinc/34/84/62/449348462.db2.gz ZXFFWEMNLPWXMN-MRXNPFEDSA-N 1 2 339.399 2.018 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1ccc2c(c1)OC(F)(F)O2 ZINC000594024569 449329717 /nfs/dbraw/zinc/32/97/17/449329717.db2.gz PUZFSEWLNQDNNH-OAHLLOKOSA-N 1 2 339.342 1.901 20 30 EDEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2cc(C#N)cnn2)c2ccc(Cl)cc2)C1 ZINC000596180211 449401292 /nfs/dbraw/zinc/40/12/92/449401292.db2.gz YVAXELCOXNRBJR-DOTOQJQBSA-N 1 2 343.818 2.485 20 30 EDEDLO C[N@H+]1CCO[C@H]([C@H](Nc2cc(C#N)cnn2)c2ccc(Cl)cc2)C1 ZINC000596180211 449401298 /nfs/dbraw/zinc/40/12/98/449401298.db2.gz YVAXELCOXNRBJR-DOTOQJQBSA-N 1 2 343.818 2.485 20 30 EDEDLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCn1cnc(C#N)n1 ZINC000600587817 449451287 /nfs/dbraw/zinc/45/12/87/449451287.db2.gz HZSWNFSXSZMQNE-AWEZNQCLSA-N 1 2 331.351 1.053 20 30 EDEDLO Cc1nc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n(-c2ccc(C#N)cc2)n1 ZINC000598685597 449542661 /nfs/dbraw/zinc/54/26/61/449542661.db2.gz PAQMPRWCLPYSRO-CQSZACIVSA-N 1 2 347.382 1.267 20 30 EDEDLO COc1cccc(-c2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)on2)c1 ZINC000602331578 449520784 /nfs/dbraw/zinc/52/07/84/449520784.db2.gz FXMBTNMLEWLPOX-KRWDZBQOSA-N 1 2 328.372 1.924 20 30 EDEDLO N#CC1(C[C@H](O)C[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)CC1 ZINC000600735852 449525057 /nfs/dbraw/zinc/52/50/57/449525057.db2.gz WCDCTNCGXHLWBZ-HNNXBMFYSA-N 1 2 329.379 1.610 20 30 EDEDLO C[C@H](C#N)N(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000602423164 449575247 /nfs/dbraw/zinc/57/52/47/449575247.db2.gz ISVMTZJARGXHEL-CYBMUJFWSA-N 1 2 325.372 1.896 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000596697490 449612585 /nfs/dbraw/zinc/61/25/85/449612585.db2.gz IWMKCDBPZMKDGY-UHFFFAOYSA-N 1 2 348.491 1.863 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3c[nH]nn3)CC2)cc1 ZINC000600978059 449629909 /nfs/dbraw/zinc/62/99/09/449629909.db2.gz RGSXVBFHJXUJCI-UHFFFAOYSA-N 1 2 338.415 1.343 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3c[nH]nn3)CC2)cc1 ZINC000600978059 449629916 /nfs/dbraw/zinc/62/99/16/449629916.db2.gz RGSXVBFHJXUJCI-UHFFFAOYSA-N 1 2 338.415 1.343 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3cnn[nH]3)CC2)cc1 ZINC000600978059 449629924 /nfs/dbraw/zinc/62/99/24/449629924.db2.gz RGSXVBFHJXUJCI-UHFFFAOYSA-N 1 2 338.415 1.343 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3cnn[nH]3)CC2)cc1 ZINC000600978059 449629930 /nfs/dbraw/zinc/62/99/30/449629930.db2.gz RGSXVBFHJXUJCI-UHFFFAOYSA-N 1 2 338.415 1.343 20 30 EDEDLO C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000612271250 449621453 /nfs/dbraw/zinc/62/14/53/449621453.db2.gz LHSMQXOTGFQXHZ-GOSISDBHSA-N 1 2 337.383 1.963 20 30 EDEDLO C[C@@H](CC#N)N(C)C(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000601037183 449668187 /nfs/dbraw/zinc/66/81/87/449668187.db2.gz QINVFCRCHJXFSP-AWEZNQCLSA-N 1 2 348.422 1.944 20 30 EDEDLO C[C@@]1(C#N)CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000599225998 449813119 /nfs/dbraw/zinc/81/31/19/449813119.db2.gz RCXHHRYUDOFSCZ-WMZOPIPTSA-N 1 2 343.431 1.228 20 30 EDEDLO C[C@@]1(C#N)CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000599225998 449813124 /nfs/dbraw/zinc/81/31/24/449813124.db2.gz RCXHHRYUDOFSCZ-WMZOPIPTSA-N 1 2 343.431 1.228 20 30 EDEDLO CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855755 449862188 /nfs/dbraw/zinc/86/21/88/449862188.db2.gz IKDCKPGIOLFANH-CALCHBBNSA-N 1 2 328.460 1.953 20 30 EDEDLO CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855755 449862192 /nfs/dbraw/zinc/86/21/92/449862192.db2.gz IKDCKPGIOLFANH-CALCHBBNSA-N 1 2 328.460 1.953 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602865644 449874632 /nfs/dbraw/zinc/87/46/32/449874632.db2.gz UKIYUXJBRFNJGE-ZNMIVQPWSA-N 1 2 325.416 1.803 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602865644 449874637 /nfs/dbraw/zinc/87/46/37/449874637.db2.gz UKIYUXJBRFNJGE-ZNMIVQPWSA-N 1 2 325.416 1.803 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000595124839 449884843 /nfs/dbraw/zinc/88/48/43/449884843.db2.gz FYSVXBGLHWCDFK-KGLIPLIRSA-N 1 2 344.415 1.031 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000595124839 449884850 /nfs/dbraw/zinc/88/48/50/449884850.db2.gz FYSVXBGLHWCDFK-KGLIPLIRSA-N 1 2 344.415 1.031 20 30 EDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)CCOCC1 ZINC000599330093 449897153 /nfs/dbraw/zinc/89/71/53/449897153.db2.gz VLUBLQKHHZCHTA-IRXDYDNUSA-N 1 2 343.427 1.231 20 30 EDEDLO N#CC1(C[C@H](O)C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)CCOCC1 ZINC000599330093 449897158 /nfs/dbraw/zinc/89/71/58/449897158.db2.gz VLUBLQKHHZCHTA-IRXDYDNUSA-N 1 2 343.427 1.231 20 30 EDEDLO CCOC(=O)[C@H](C)[N@H+](C[C@H](O)COc1ccccc1C#N)C1CC1 ZINC000599385676 449934775 /nfs/dbraw/zinc/93/47/75/449934775.db2.gz FPFIKLIGGKUEEX-BBRMVZONSA-N 1 2 332.400 1.714 20 30 EDEDLO CCOC(=O)[C@H](C)[N@@H+](C[C@H](O)COc1ccccc1C#N)C1CC1 ZINC000599385676 449934782 /nfs/dbraw/zinc/93/47/82/449934782.db2.gz FPFIKLIGGKUEEX-BBRMVZONSA-N 1 2 332.400 1.714 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@](C)(C#N)C3)ccc2n1C ZINC000595208633 449946649 /nfs/dbraw/zinc/94/66/49/449946649.db2.gz VSCKPJUHKKRJCS-QGZVFWFLSA-N 1 2 325.372 1.582 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000609538163 450045898 /nfs/dbraw/zinc/04/58/98/450045898.db2.gz NDNQSMFPGWAWIS-BQFCYCMXSA-N 1 2 333.480 1.595 20 30 EDEDLO C=CCOc1ccc(CN2CC[NH+](CC(=O)N(C)C)CC2)cc1OC ZINC000601593874 450099601 /nfs/dbraw/zinc/09/96/01/450099601.db2.gz NROHRFAJPXUAKO-UHFFFAOYSA-N 1 2 347.459 1.466 20 30 EDEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)N(C)C)CC2)cc1OC ZINC000601593874 450099607 /nfs/dbraw/zinc/09/96/07/450099607.db2.gz NROHRFAJPXUAKO-UHFFFAOYSA-N 1 2 347.459 1.466 20 30 EDEDLO C=CCC1(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)CCOCC1 ZINC000618247615 450099955 /nfs/dbraw/zinc/09/99/55/450099955.db2.gz CYKJEBGSLBCRIR-UHFFFAOYSA-N 1 2 344.459 1.445 20 30 EDEDLO CCN(CCC#N)C(=O)Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000603210448 450144883 /nfs/dbraw/zinc/14/48/83/450144883.db2.gz YKPVGFIQUJAZTC-UHFFFAOYSA-N 1 2 344.394 1.469 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)Nc1c(C#N)cnc2c(F)ccc(F)c21 ZINC000610274707 450179399 /nfs/dbraw/zinc/17/93/99/450179399.db2.gz LJUOEHBRAVNJAG-LLVKDONJSA-N 1 2 332.354 1.939 20 30 EDEDLO C=C(C)C[C@H](NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1)C(=O)OC ZINC000601780727 450236488 /nfs/dbraw/zinc/23/64/88/450236488.db2.gz CDTGRVDSILRAIU-SOUVJXGZSA-N 1 2 326.437 1.500 20 30 EDEDLO C=C(C)C[C@H](NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1)C(=O)OC ZINC000601780727 450236491 /nfs/dbraw/zinc/23/64/91/450236491.db2.gz CDTGRVDSILRAIU-SOUVJXGZSA-N 1 2 326.437 1.500 20 30 EDEDLO COc1cc(C[NH+]2CCN(C(=O)N3CCCC3)CC2)ccc1C#N ZINC000619674213 450304757 /nfs/dbraw/zinc/30/47/57/450304757.db2.gz VUAJNNWUKPTXSB-UHFFFAOYSA-N 1 2 328.416 1.900 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000619711373 450315043 /nfs/dbraw/zinc/31/50/43/450315043.db2.gz UZKWHIAFJCZJJH-CYBMUJFWSA-N 1 2 349.460 1.501 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000625383227 450324168 /nfs/dbraw/zinc/32/41/68/450324168.db2.gz KYUISNZEDMFWCE-UHFFFAOYSA-N 1 2 340.427 1.457 20 30 EDEDLO COCCN(CCC#N)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000610904079 450376635 /nfs/dbraw/zinc/37/66/35/450376635.db2.gz JWCVLKIRXQTWSF-UHFFFAOYSA-N 1 2 347.419 1.621 20 30 EDEDLO CC(=O)c1ccc(C#N)cc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000631534477 450641918 /nfs/dbraw/zinc/64/19/18/450641918.db2.gz LOSGFOBNELDBNU-UHFFFAOYSA-N 1 2 335.411 1.916 20 30 EDEDLO C=CC[C@@H]1N(S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)CCCC1(C)C ZINC000632282251 451168949 /nfs/dbraw/zinc/16/89/49/451168949.db2.gz WYAHEGNHJXWYBE-CABCVRRESA-N 1 2 330.494 1.714 20 30 EDEDLO C=CC[C@@H]1N(S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)CCCC1(C)C ZINC000632282251 451168958 /nfs/dbraw/zinc/16/89/58/451168958.db2.gz WYAHEGNHJXWYBE-CABCVRRESA-N 1 2 330.494 1.714 20 30 EDEDLO C=C(C)C[C@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000630964969 451511194 /nfs/dbraw/zinc/51/11/94/451511194.db2.gz LXUJXUBNBMDYNI-DLBZAZTESA-N 1 2 343.427 1.774 20 30 EDEDLO C=C(C)C[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000630964969 451511198 /nfs/dbraw/zinc/51/11/98/451511198.db2.gz LXUJXUBNBMDYNI-DLBZAZTESA-N 1 2 343.427 1.774 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)NC2C3CC4CC(C3)CC2C4)nn1 ZINC000640798714 451592377 /nfs/dbraw/zinc/59/23/77/451592377.db2.gz JCLLGPCAILCQPK-UHFFFAOYSA-N 1 2 341.459 1.332 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N(C)Cc2ccccc2C)nn1 ZINC000640923097 451691937 /nfs/dbraw/zinc/69/19/37/451691937.db2.gz DRFWHZCDULCTBZ-INIZCTEOSA-N 1 2 339.443 1.919 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000649187220 451892049 /nfs/dbraw/zinc/89/20/49/451892049.db2.gz LVOOVALHPYQARH-RDJZCZTQSA-N 1 2 347.434 1.227 20 30 EDEDLO C=CCn1cc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000644967455 452091806 /nfs/dbraw/zinc/09/18/06/452091806.db2.gz KNEYEDJABWNKAJ-UHFFFAOYSA-N 1 2 346.460 1.553 20 30 EDEDLO C=CCOCCCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000660388051 453264408 /nfs/dbraw/zinc/26/44/08/453264408.db2.gz JFKJMFQEKMXUTO-HNNXBMFYSA-N 1 2 348.447 1.699 20 30 EDEDLO COCC#CCN1CC[N@H+](CC#CCOC)C[C@H]1c1ccccc1 ZINC000656565634 453283174 /nfs/dbraw/zinc/28/31/74/453283174.db2.gz MZGFZQQFRNHPCC-FQEVSTJZSA-N 1 2 326.440 1.645 20 30 EDEDLO COCC#CCN1CC[N@@H+](CC#CCOC)C[C@H]1c1ccccc1 ZINC000656565634 453283186 /nfs/dbraw/zinc/28/31/86/453283186.db2.gz MZGFZQQFRNHPCC-FQEVSTJZSA-N 1 2 326.440 1.645 20 30 EDEDLO COCC#CCN1CC[N@H+](CC#CCOC)[C@H](c2ccccc2)C1 ZINC000656565634 453283196 /nfs/dbraw/zinc/28/31/96/453283196.db2.gz MZGFZQQFRNHPCC-FQEVSTJZSA-N 1 2 326.440 1.645 20 30 EDEDLO COCC#CCN1CC[N@@H+](CC#CCOC)[C@H](c2ccccc2)C1 ZINC000656565634 453283205 /nfs/dbraw/zinc/28/32/05/453283205.db2.gz MZGFZQQFRNHPCC-FQEVSTJZSA-N 1 2 326.440 1.645 20 30 EDEDLO C=CCOCCCNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000658727452 453328106 /nfs/dbraw/zinc/32/81/06/453328106.db2.gz OQWHIVWCUFSOGH-UHFFFAOYSA-N 1 2 345.443 1.040 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000665512212 453726399 /nfs/dbraw/zinc/72/63/99/453726399.db2.gz AYTRPSFWMIZPRI-KRWDZBQOSA-N 1 2 330.432 1.197 20 30 EDEDLO C=CCOCC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000679462970 487428946 /nfs/dbraw/zinc/42/89/46/487428946.db2.gz NPSJISCCVFAGSQ-GFCCVEGCSA-N 1 2 331.185 1.907 20 30 EDEDLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1ccnc(C#N)c1)C2 ZINC000610991354 485901443 /nfs/dbraw/zinc/90/14/43/485901443.db2.gz HAANKYKSOKVYPL-UHFFFAOYSA-N 1 2 342.424 1.883 20 30 EDEDLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC000610991354 485901452 /nfs/dbraw/zinc/90/14/52/485901452.db2.gz HAANKYKSOKVYPL-UHFFFAOYSA-N 1 2 342.424 1.883 20 30 EDEDLO CCCCNC(=O)CN1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000610991200 485902103 /nfs/dbraw/zinc/90/21/03/485902103.db2.gz CWGUHLHKQLHPHW-UHFFFAOYSA-N 1 2 344.459 1.601 20 30 EDEDLO CCCCNC(=O)C[NH+]1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000610991200 485902109 /nfs/dbraw/zinc/90/21/09/485902109.db2.gz CWGUHLHKQLHPHW-UHFFFAOYSA-N 1 2 344.459 1.601 20 30 EDEDLO C=CCOc1ccc(CC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000449870240 486161841 /nfs/dbraw/zinc/16/18/41/486161841.db2.gz MINBCLYMLAQFRV-SFHVURJKSA-N 1 2 330.428 1.773 20 30 EDEDLO C=CCOc1ccc(CC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000449870240 486161850 /nfs/dbraw/zinc/16/18/50/486161850.db2.gz MINBCLYMLAQFRV-SFHVURJKSA-N 1 2 330.428 1.773 20 30 EDEDLO N#Cc1cnccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000344380167 519105679 /nfs/dbraw/zinc/10/56/79/519105679.db2.gz ZNCLMQFSFKTPPF-UHFFFAOYSA-N 1 2 334.295 1.721 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCO[C@H](C#N)C1 ZINC000106328881 534683032 /nfs/dbraw/zinc/68/30/32/534683032.db2.gz NOWIWODNDWZPLL-CQSZACIVSA-N 1 2 327.388 1.669 20 30 EDEDLO C=CC[N@@H+](Cc1cn(C)nc1-c1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361587 526379351 /nfs/dbraw/zinc/37/93/51/526379351.db2.gz LBCJVSHIMXWISF-INIZCTEOSA-N 1 2 346.456 1.657 20 30 EDEDLO C=CC[N@H+](Cc1cn(C)nc1-c1ccncc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361587 526379356 /nfs/dbraw/zinc/37/93/56/526379356.db2.gz LBCJVSHIMXWISF-INIZCTEOSA-N 1 2 346.456 1.657 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)N(C)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000179417006 526917593 /nfs/dbraw/zinc/91/75/93/526917593.db2.gz RASGXHHCBYGZPC-UHFFFAOYSA-N 1 2 334.441 1.398 20 30 EDEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000169273736 529044114 /nfs/dbraw/zinc/04/41/14/529044114.db2.gz AYRFWGHIGHSBTI-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO COCC[N@H+](CC(=O)NC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000076293025 536815258 /nfs/dbraw/zinc/81/52/58/536815258.db2.gz LHLYZSUNVKJKSW-UHFFFAOYSA-N 1 2 331.416 1.302 20 30 EDEDLO COCC[N@@H+](CC(=O)NC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000076293025 536815261 /nfs/dbraw/zinc/81/52/61/536815261.db2.gz LHLYZSUNVKJKSW-UHFFFAOYSA-N 1 2 331.416 1.302 20 30 EDEDLO Cc1nc(NC(=O)CC[NH+]2CCOCC2)sc1SCC#N ZINC000725719579 578278019 /nfs/dbraw/zinc/27/80/19/578278019.db2.gz ROOBURCHMHEKBM-UHFFFAOYSA-N 1 2 326.447 1.728 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000729974933 578604892 /nfs/dbraw/zinc/60/48/92/578604892.db2.gz HLWFOJBICJOSTH-VOTSOKGWSA-N 1 2 335.411 1.649 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(C)c2nc3ccccc3s2)CC1 ZINC000760429246 580030750 /nfs/dbraw/zinc/03/07/50/580030750.db2.gz DJOXVGJEOVLMTA-UHFFFAOYSA-N 1 2 328.441 1.510 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000731622136 578676951 /nfs/dbraw/zinc/67/69/51/578676951.db2.gz JUBKQXSKYDWLGH-INIZCTEOSA-N 1 2 338.415 1.573 20 30 EDEDLO COc1ccc(OC)c([C@@H](O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000732203748 578697409 /nfs/dbraw/zinc/69/74/09/578697409.db2.gz HMCMYOZVVYZDAF-ROUUACIJSA-N 1 2 347.459 1.903 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](Cn3nccc3-c3cccnc3)CC2)n1 ZINC000760554108 580033638 /nfs/dbraw/zinc/03/36/38/580033638.db2.gz YCPGUHMMDSJRET-UHFFFAOYSA-N 1 2 345.410 1.991 20 30 EDEDLO Cc1noc([C@H](C)ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000736299930 578975155 /nfs/dbraw/zinc/97/51/55/578975155.db2.gz VTYYVWGGVQGVAA-LBPRGKRZSA-N 1 2 345.403 1.608 20 30 EDEDLO Cc1[nH+]cc(C=NOCC(N)=O)n1-c1ccc(Br)cc1 ZINC000771575924 578997504 /nfs/dbraw/zinc/99/75/04/578997504.db2.gz ZQAJOYUBFBUFJG-UHFFFAOYSA-N 1 2 337.177 1.779 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)CC1 ZINC000744425625 579510422 /nfs/dbraw/zinc/51/04/22/579510422.db2.gz YUYTZWTWJRHLMT-HNNXBMFYSA-N 1 2 343.402 1.264 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)CC1 ZINC000744425552 579510438 /nfs/dbraw/zinc/51/04/38/579510438.db2.gz QNZMTTOQGIFEEQ-SFHVURJKSA-N 1 2 328.412 1.635 20 30 EDEDLO CN(C)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(C#N)CC3)C2=O)cc1 ZINC000747034732 579624475 /nfs/dbraw/zinc/62/44/75/579624475.db2.gz WZBYJDBUCVHXNB-INIZCTEOSA-N 1 2 326.400 1.620 20 30 EDEDLO CC(C)(C#N)CS(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000777817672 580451238 /nfs/dbraw/zinc/45/12/38/580451238.db2.gz QXNPBITWIPHOHF-UHFFFAOYSA-N 1 2 343.493 1.491 20 30 EDEDLO CC(C)[N@H+]1CC(=NNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000754258121 579899628 /nfs/dbraw/zinc/89/96/28/579899628.db2.gz HEVOZMWBRWKYQK-LLVKDONJSA-N 1 2 340.405 1.589 20 30 EDEDLO CC(C)[N@@H+]1CC(=NNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000754258121 579899629 /nfs/dbraw/zinc/89/96/29/579899629.db2.gz HEVOZMWBRWKYQK-LLVKDONJSA-N 1 2 340.405 1.589 20 30 EDEDLO C#CCNC(=O)COC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000754953833 579916851 /nfs/dbraw/zinc/91/68/51/579916851.db2.gz AFVIUQHXMHNYFN-UHFFFAOYSA-N 1 2 338.367 1.303 20 30 EDEDLO C[C@H]1CCN(c2cccc(S(N)(=O)=O)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000755003853 579917968 /nfs/dbraw/zinc/91/79/68/579917968.db2.gz VCFNPYQIKCBKBF-WFASDCNBSA-N 1 2 345.428 1.490 20 30 EDEDLO Cc1[nH+]cc(C=NNCC(N)=O)n1-c1ccc(Br)cc1 ZINC000758898552 579994153 /nfs/dbraw/zinc/99/41/53/579994153.db2.gz NIJLUZNTKHDSAH-UHFFFAOYSA-N 1 2 336.193 1.352 20 30 EDEDLO N#Cc1cnc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000759135473 579999483 /nfs/dbraw/zinc/99/94/83/579999483.db2.gz LZBBYXAACCBHPF-CQSZACIVSA-N 1 2 328.397 1.854 20 30 EDEDLO N#Cc1cnc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000759135473 579999484 /nfs/dbraw/zinc/99/94/84/579999484.db2.gz LZBBYXAACCBHPF-CQSZACIVSA-N 1 2 328.397 1.854 20 30 EDEDLO CC(C)O[C@@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)C1(C)C ZINC000764897030 580130742 /nfs/dbraw/zinc/13/07/42/580130742.db2.gz RHAJIJVFUCTCDY-CQSZACIVSA-N 1 2 342.509 1.362 20 30 EDEDLO C#C[C@H](C)[N@H+](C)Cc1cc(C(C)=O)cc(C[NH+]2CCOCC2)c1[O-] ZINC000766665063 580171417 /nfs/dbraw/zinc/17/14/17/580171417.db2.gz DMWATBWWXULBOX-AWEZNQCLSA-N 1 2 330.428 1.881 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)Cc1cc(C(C)=O)cc(C[NH+]2CCOCC2)c1[O-] ZINC000766665063 580171418 /nfs/dbraw/zinc/17/14/18/580171418.db2.gz DMWATBWWXULBOX-AWEZNQCLSA-N 1 2 330.428 1.881 20 30 EDEDLO C[N@H+](CC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000767114632 580182038 /nfs/dbraw/zinc/18/20/38/580182038.db2.gz CLDIZLWATZPTAM-ZFWWWQNUSA-N 1 2 333.413 1.065 20 30 EDEDLO C[N@@H+](CC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000767114632 580182039 /nfs/dbraw/zinc/18/20/39/580182039.db2.gz CLDIZLWATZPTAM-ZFWWWQNUSA-N 1 2 333.413 1.065 20 30 EDEDLO CCOC(=O)c1ccc(S(=O)(=O)NN=C2C[C@H](C)[N@H+](C)C2)cc1 ZINC000767791035 580199711 /nfs/dbraw/zinc/19/97/11/580199711.db2.gz LTAGMBZFCMLKHW-NSHDSACASA-N 1 2 339.417 1.222 20 30 EDEDLO CCOC(=O)c1ccc(S(=O)(=O)NN=C2C[C@H](C)[N@@H+](C)C2)cc1 ZINC000767791035 580199712 /nfs/dbraw/zinc/19/97/12/580199712.db2.gz LTAGMBZFCMLKHW-NSHDSACASA-N 1 2 339.417 1.222 20 30 EDEDLO C#C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)[C@H]1CCCO1 ZINC000775801747 580401472 /nfs/dbraw/zinc/40/14/72/580401472.db2.gz YUJQFEDDINFAFQ-MJBXVCDLSA-N 1 2 337.217 1.746 20 30 EDEDLO CC(C)[C@@H](C(=O)OCCn1ncc(C#N)c1N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000778633308 580469232 /nfs/dbraw/zinc/46/92/32/580469232.db2.gz BFRZJKZJPJJMRX-GUTXKFCHSA-N 1 2 349.435 1.014 20 30 EDEDLO CC(C)[C@@H](C(=O)OCCn1ncc(C#N)c1N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000778633308 580469233 /nfs/dbraw/zinc/46/92/33/580469233.db2.gz BFRZJKZJPJJMRX-GUTXKFCHSA-N 1 2 349.435 1.014 20 30 EDEDLO N#Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)nc1 ZINC000780242272 580516846 /nfs/dbraw/zinc/51/68/46/580516846.db2.gz ALQSRGNEGXIVKD-UHFFFAOYSA-N 1 2 336.399 1.948 20 30 EDEDLO C#CCn1cc(CNc2[nH+]cnc3c2c(Br)nn3C)cn1 ZINC000787887315 580708187 /nfs/dbraw/zinc/70/81/87/580708187.db2.gz BDHGPNGQDUWEDG-UHFFFAOYSA-N 1 2 346.192 1.568 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000788765260 580729254 /nfs/dbraw/zinc/72/92/54/580729254.db2.gz IWCCUWBULXEZDG-AWEZNQCLSA-N 1 2 333.432 1.021 20 30 EDEDLO COC(=O)CCC1CC[NH+](Cn2nc(CC#N)n(C)c2=S)CC1 ZINC000794634197 580901019 /nfs/dbraw/zinc/90/10/19/580901019.db2.gz ZLXCNZYJLFDVPH-UHFFFAOYSA-N 1 2 337.449 1.640 20 30 EDEDLO CC(C)(C)OCCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000795878142 580940158 /nfs/dbraw/zinc/94/01/58/580940158.db2.gz PFPRFMLITZKXTQ-UHFFFAOYSA-N 1 2 325.453 1.656 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CNc3ccc(C(=O)NCCCO)cc3)n2c1 ZINC000798084523 580987176 /nfs/dbraw/zinc/98/71/76/580987176.db2.gz XAHWJGNJPDGYTP-UHFFFAOYSA-N 1 2 349.394 1.930 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000798274459 580992756 /nfs/dbraw/zinc/99/27/56/580992756.db2.gz FJUIYHPGZIPFEU-HUUCEWRRSA-N 1 2 344.415 1.634 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000799080719 581016072 /nfs/dbraw/zinc/01/60/72/581016072.db2.gz MGFIEGHWSMXHKL-CYBMUJFWSA-N 1 2 328.328 1.285 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](C[C@H](O)c3ccc(F)cn3)CC2)n1 ZINC000799320986 581025365 /nfs/dbraw/zinc/02/53/65/581025365.db2.gz PDRLGPWOLUKZQA-INIZCTEOSA-N 1 2 327.363 1.343 20 30 EDEDLO C[C@H](C#N)OCCOC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000801842163 581086290 /nfs/dbraw/zinc/08/62/90/581086290.db2.gz HQGYLXUXGQLBCL-NVXWUHKLSA-N 1 2 332.400 1.749 20 30 EDEDLO C[C@H](C#N)OCCOC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000801842163 581086291 /nfs/dbraw/zinc/08/62/91/581086291.db2.gz HQGYLXUXGQLBCL-NVXWUHKLSA-N 1 2 332.400 1.749 20 30 EDEDLO C[C@H](C#N)OCC[N@@H+]1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000801927143 581088270 /nfs/dbraw/zinc/08/82/70/581088270.db2.gz IKGDBLXHTYPSRF-HZSPNIEDSA-N 1 2 327.425 1.529 20 30 EDEDLO C[C@H](C#N)OCC[N@H+]1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000801927143 581088271 /nfs/dbraw/zinc/08/82/71/581088271.db2.gz IKGDBLXHTYPSRF-HZSPNIEDSA-N 1 2 327.425 1.529 20 30 EDEDLO C[C@H](C#N)OCC[N@@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000801927146 581088335 /nfs/dbraw/zinc/08/83/35/581088335.db2.gz IKGDBLXHTYPSRF-RDBSUJKOSA-N 1 2 327.425 1.529 20 30 EDEDLO C[C@H](C#N)OCC[N@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000801927146 581088336 /nfs/dbraw/zinc/08/83/36/581088336.db2.gz IKGDBLXHTYPSRF-RDBSUJKOSA-N 1 2 327.425 1.529 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCC#C[C@H]2CCCCO2)cc1 ZINC000891106319 590958807 /nfs/dbraw/zinc/95/88/07/590958807.db2.gz JHMKWZQIMRVDNZ-MOPGFXCFSA-N 1 2 342.439 1.958 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCC#C[C@H]2CCCCO2)cc1 ZINC000891106319 590958810 /nfs/dbraw/zinc/95/88/10/590958810.db2.gz JHMKWZQIMRVDNZ-MOPGFXCFSA-N 1 2 342.439 1.958 20 30 EDEDLO Cn1nc2c(c1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CCC2 ZINC000893576346 590978561 /nfs/dbraw/zinc/97/85/61/590978561.db2.gz QFPTVSNFRXEWDG-WFASDCNBSA-N 1 2 345.447 1.757 20 30 EDEDLO Cc1nn(C)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000892622457 591099871 /nfs/dbraw/zinc/09/98/71/591099871.db2.gz KPDDWRTVUMAAKW-INIZCTEOSA-N 1 2 339.399 1.440 20 30 EDEDLO Cc1nn(C)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000892622457 591099876 /nfs/dbraw/zinc/09/98/76/591099876.db2.gz KPDDWRTVUMAAKW-INIZCTEOSA-N 1 2 339.399 1.440 20 30 EDEDLO CCc1cc(N2CCN(c3nccnc3C#N)C[C@@H]2C)nc(CC)[nH+]1 ZINC000892891481 591218610 /nfs/dbraw/zinc/21/86/10/591218610.db2.gz ININNAOBSAVDFL-ZDUSSCGKSA-N 1 2 337.431 1.978 20 30 EDEDLO CO[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000895967732 591314313 /nfs/dbraw/zinc/31/43/13/591314313.db2.gz BHSIEKAVBDNQQT-MRXNPFEDSA-N 1 2 327.388 1.663 20 30 EDEDLO CO[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000895967732 591314316 /nfs/dbraw/zinc/31/43/16/591314316.db2.gz BHSIEKAVBDNQQT-MRXNPFEDSA-N 1 2 327.388 1.663 20 30 EDEDLO C=C1CCN(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)CC1 ZINC000894464799 591318389 /nfs/dbraw/zinc/31/83/89/591318389.db2.gz GJUMRJODDLGJRD-UHFFFAOYSA-N 1 2 337.464 1.618 20 30 EDEDLO C=C[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1F ZINC000898726860 591490785 /nfs/dbraw/zinc/49/07/85/591490785.db2.gz OPMUOTPEJRSWHP-RISCZKNCSA-N 1 2 336.342 1.634 20 30 EDEDLO C#CC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000898736258 591500121 /nfs/dbraw/zinc/50/01/21/591500121.db2.gz NSWLMLXVHPPNFS-DOMZBBRYSA-N 1 2 348.353 1.471 20 30 EDEDLO C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896539959 591503410 /nfs/dbraw/zinc/50/34/10/591503410.db2.gz CJYFXKGWBUSQNN-CXAGYDPISA-N 1 2 346.450 1.725 20 30 EDEDLO C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896539959 591503414 /nfs/dbraw/zinc/50/34/14/591503414.db2.gz CJYFXKGWBUSQNN-CXAGYDPISA-N 1 2 346.450 1.725 20 30 EDEDLO O=C1[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)CCCN1O ZINC000895156250 591623592 /nfs/dbraw/zinc/62/35/92/591623592.db2.gz BGGJAATXVPAVDL-SNVBAGLBSA-N 1 2 333.157 1.764 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](Cc2cn(C)nc2I)C1 ZINC000895182773 591645979 /nfs/dbraw/zinc/64/59/79/591645979.db2.gz FOGQLXRRNFGHJA-JTQLQIEISA-N 1 2 329.185 1.870 20 30 EDEDLO C#C[C@H]1CCC[N@H+](Cc2cn(C)nc2I)C1 ZINC000895182773 591645981 /nfs/dbraw/zinc/64/59/81/591645981.db2.gz FOGQLXRRNFGHJA-JTQLQIEISA-N 1 2 329.185 1.870 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000896978337 591698893 /nfs/dbraw/zinc/69/88/93/591698893.db2.gz OCWVFEGOGROMOV-SFHVURJKSA-N 1 2 346.431 1.805 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000896978337 591698897 /nfs/dbraw/zinc/69/88/97/591698897.db2.gz OCWVFEGOGROMOV-SFHVURJKSA-N 1 2 346.431 1.805 20 30 EDEDLO C#CC1(O)CC[NH+](Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000895383668 591739204 /nfs/dbraw/zinc/73/92/04/591739204.db2.gz ZPUNEGKHEYKLOQ-UHFFFAOYSA-N 1 2 325.311 1.977 20 30 EDEDLO NC(=NOCc1ccc(N)nc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902227217 591949624 /nfs/dbraw/zinc/94/96/24/591949624.db2.gz WHVVNGCOVIDEAH-UHFFFAOYSA-N 1 2 341.415 1.333 20 30 EDEDLO COCC[N@@H+]1CCN(C(=O)C(F)(F)c2ccccc2C#N)C[C@H]1C ZINC000900743751 592115264 /nfs/dbraw/zinc/11/52/64/592115264.db2.gz GCPANSJYRKTZMQ-CYBMUJFWSA-N 1 2 337.370 1.829 20 30 EDEDLO COCC[N@H+]1CCN(C(=O)C(F)(F)c2ccccc2C#N)C[C@H]1C ZINC000900743751 592115265 /nfs/dbraw/zinc/11/52/65/592115265.db2.gz GCPANSJYRKTZMQ-CYBMUJFWSA-N 1 2 337.370 1.829 20 30 EDEDLO CN(C)c1nc(C(F)(F)F)ccc1C=[NH+]NCCS(C)(=O)=O ZINC000901196089 592282146 /nfs/dbraw/zinc/28/21/46/592282146.db2.gz KTIXZYVCRVHLML-UHFFFAOYSA-N 1 2 338.355 1.135 20 30 EDEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1c[nH+]cn1C ZINC000901485203 592381823 /nfs/dbraw/zinc/38/18/23/592381823.db2.gz FYMOGVAJFACNTO-AATRIKPKSA-N 1 2 336.417 1.174 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc(OC)c2OC)CC1 ZINC000906864347 592390462 /nfs/dbraw/zinc/39/04/62/592390462.db2.gz GLVBSIQDQBHGAV-UHFFFAOYSA-N 1 2 338.429 1.033 20 30 EDEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CCC[C@@H](C#N)C1 ZINC000908695134 592574432 /nfs/dbraw/zinc/57/44/32/592574432.db2.gz MLYFSZJKKVQNAA-KKUMJFAQSA-N 1 2 330.436 1.596 20 30 EDEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CCC[C@@H](C#N)C1 ZINC000908695134 592574435 /nfs/dbraw/zinc/57/44/35/592574435.db2.gz MLYFSZJKKVQNAA-KKUMJFAQSA-N 1 2 330.436 1.596 20 30 EDEDLO C=CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)C(=O)OC ZINC000905765023 592639364 /nfs/dbraw/zinc/63/93/64/592639364.db2.gz XOKUEFRYHKUWII-ZDUSSCGKSA-N 1 2 332.466 1.286 20 30 EDEDLO CCn1nc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C1CC1 ZINC000906473127 592834054 /nfs/dbraw/zinc/83/40/54/592834054.db2.gz OLONVEIFOPYXKM-UHFFFAOYSA-N 1 2 345.447 1.468 20 30 EDEDLO CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)CC1 ZINC000906602846 592862387 /nfs/dbraw/zinc/86/23/87/592862387.db2.gz TXARDDHTEVSYEC-AKSNENBUSA-N 1 2 349.475 1.248 20 30 EDEDLO COC(=O)c1ccc(NC(=O)CO[NH+]=C(N)c2ccccc2)cc1 ZINC000028774895 593057210 /nfs/dbraw/zinc/05/72/10/593057210.db2.gz IBFDULNQIHXTKR-UHFFFAOYSA-N 1 2 327.340 1.749 20 30 EDEDLO C[Si](C)(C)C#CCCNC(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000912335700 593088792 /nfs/dbraw/zinc/08/87/92/593088792.db2.gz HDDWYDHTMBAJSS-ZDUSSCGKSA-N 1 2 335.480 1.242 20 30 EDEDLO C[Si](C)(C)C#CCCNC(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000912335700 593088793 /nfs/dbraw/zinc/08/87/93/593088793.db2.gz HDDWYDHTMBAJSS-ZDUSSCGKSA-N 1 2 335.480 1.242 20 30 EDEDLO C=C1CN(C(=O)CS(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)C1 ZINC000912445786 593097431 /nfs/dbraw/zinc/09/74/31/593097431.db2.gz GSQGUVLETLVECK-UHFFFAOYSA-N 1 2 349.456 1.817 20 30 EDEDLO NC(=[NH+]OCC(=O)N1CCCC1)c1ccc(Br)cc1 ZINC000782949796 593130483 /nfs/dbraw/zinc/13/04/83/593130483.db2.gz LYTHNUNJZQBZMC-UHFFFAOYSA-N 1 2 326.194 1.708 20 30 EDEDLO C#C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000806441929 593445881 /nfs/dbraw/zinc/44/58/81/593445881.db2.gz GXDAZNONXQNWHA-AWEZNQCLSA-N 1 2 328.416 1.494 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccc2[nH]ccc2c1 ZINC000811630894 593475313 /nfs/dbraw/zinc/47/53/13/593475313.db2.gz WMIXSFVEWAWANM-UHFFFAOYSA-N 1 2 331.445 1.298 20 30 EDEDLO C[C@H]1C(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC[N@@H+]1Cc1ccccc1 ZINC000811642294 593475542 /nfs/dbraw/zinc/47/55/42/593475542.db2.gz LRYBSXDRBOJZGJ-NSHDSACASA-N 1 2 337.387 1.494 20 30 EDEDLO C[C@H]1C(N=Nc2nc3[nH][nH]cc-3c(=O)n2)CC[N@H+]1Cc1ccccc1 ZINC000811642294 593475543 /nfs/dbraw/zinc/47/55/43/593475543.db2.gz LRYBSXDRBOJZGJ-NSHDSACASA-N 1 2 337.387 1.494 20 30 EDEDLO Cn1c(=O)c(C=[NH+]Nc2ccccc2)c(N2CCCC2)n(C)c1=O ZINC000817321886 593592514 /nfs/dbraw/zinc/59/25/14/593592514.db2.gz SZLQMNRSEKVDHD-UHFFFAOYSA-N 1 2 327.388 1.130 20 30 EDEDLO CS(=O)(=O)CC1CCC(N=Nc2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000814915541 593606723 /nfs/dbraw/zinc/60/67/23/593606723.db2.gz ZCBZMEYITKLMIL-UHFFFAOYSA-N 1 2 348.432 1.665 20 30 EDEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]Nc1cnnn1C ZINC000814980084 593608643 /nfs/dbraw/zinc/60/86/43/593608643.db2.gz YMJNOTZZRHLYMA-UHFFFAOYSA-N 1 2 346.354 1.535 20 30 EDEDLO C=CCCn1cc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)nn1 ZINC000819321539 593750618 /nfs/dbraw/zinc/75/06/18/593750618.db2.gz IKBNIIPWYBIDFV-UHFFFAOYSA-N 1 2 327.379 1.656 20 30 EDEDLO C=CCCn1cc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)nn1 ZINC000819321539 593750619 /nfs/dbraw/zinc/75/06/19/593750619.db2.gz IKBNIIPWYBIDFV-UHFFFAOYSA-N 1 2 327.379 1.656 20 30 EDEDLO CCOc1ccc(C(=O)N(C)C)cc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819456841 593755508 /nfs/dbraw/zinc/75/55/08/593755508.db2.gz DWFWAMFBCPXCIZ-HNNXBMFYSA-N 1 2 348.447 1.405 20 30 EDEDLO CCOc1ccc(C(=O)N(C)C)cc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819456841 593755509 /nfs/dbraw/zinc/75/55/09/593755509.db2.gz DWFWAMFBCPXCIZ-HNNXBMFYSA-N 1 2 348.447 1.405 20 30 EDEDLO C#CCN(CC)C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000823896174 593882166 /nfs/dbraw/zinc/88/21/66/593882166.db2.gz RLMDBZVFNVDSKK-SFHVURJKSA-N 1 2 328.460 1.467 20 30 EDEDLO C#CCN(CC)C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000823896174 593882167 /nfs/dbraw/zinc/88/21/67/593882167.db2.gz RLMDBZVFNVDSKK-SFHVURJKSA-N 1 2 328.460 1.467 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)c2cc(C#N)ccc2C)CC1 ZINC000824121068 593934367 /nfs/dbraw/zinc/93/43/67/593934367.db2.gz WABYKWNQWQLENT-UHFFFAOYSA-N 1 2 331.416 1.288 20 30 EDEDLO C#CCOc1cccc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000820982823 593935569 /nfs/dbraw/zinc/93/55/69/593935569.db2.gz HKAQVHALPJAJQG-LSDHHAIUSA-N 1 2 331.416 1.929 20 30 EDEDLO C#CCOc1cccc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000820982823 593935570 /nfs/dbraw/zinc/93/55/70/593935570.db2.gz HKAQVHALPJAJQG-LSDHHAIUSA-N 1 2 331.416 1.929 20 30 EDEDLO COc1cc(C#N)ccc1C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC000827918820 594303315 /nfs/dbraw/zinc/30/33/15/594303315.db2.gz ZENGYFBCQMWDBZ-OAHLLOKOSA-N 1 2 325.372 1.087 20 30 EDEDLO CC(=O)NCC[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000830124893 594340523 /nfs/dbraw/zinc/34/05/23/594340523.db2.gz CWIZRWPNAKMQLZ-UHFFFAOYSA-N 1 2 330.432 1.618 20 30 EDEDLO CC(=O)NCC[N@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000830124893 594340524 /nfs/dbraw/zinc/34/05/24/594340524.db2.gz CWIZRWPNAKMQLZ-UHFFFAOYSA-N 1 2 330.432 1.618 20 30 EDEDLO C#CCOCCC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826563898 594527910 /nfs/dbraw/zinc/52/79/10/594527910.db2.gz JIMAHDUYDQYWAB-SFHVURJKSA-N 1 2 330.428 1.352 20 30 EDEDLO C#CCOCCC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826563898 594527913 /nfs/dbraw/zinc/52/79/13/594527913.db2.gz JIMAHDUYDQYWAB-SFHVURJKSA-N 1 2 330.428 1.352 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000829345024 594600101 /nfs/dbraw/zinc/60/01/01/594600101.db2.gz FYXLSBNSFOPLEQ-BTYIYWSLSA-N 1 2 325.865 1.901 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000831691699 594693043 /nfs/dbraw/zinc/69/30/43/594693043.db2.gz UANZJZYJVXKASQ-MRXNPFEDSA-N 1 2 341.411 1.961 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000841394736 594892787 /nfs/dbraw/zinc/89/27/87/594892787.db2.gz CQRHOZLYCATSJM-UHFFFAOYSA-N 1 2 335.448 1.459 20 30 EDEDLO CCOC(=O)c1cnc(N=NCC(C)(C)[NH+]2CCOCC2)nc1C ZINC000841630704 594930530 /nfs/dbraw/zinc/93/05/30/594930530.db2.gz LKSHEDDFLNKVAC-UHFFFAOYSA-N 1 2 335.408 1.470 20 30 EDEDLO C#C[C@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000867282903 594996008 /nfs/dbraw/zinc/99/60/08/594996008.db2.gz WQXMUVPGVHPSOX-CABCVRRESA-N 1 2 342.848 1.264 20 30 EDEDLO C#C[C@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000867282903 594996009 /nfs/dbraw/zinc/99/60/09/594996009.db2.gz WQXMUVPGVHPSOX-CABCVRRESA-N 1 2 342.848 1.264 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)C[NH3+])cc2[nH]c1=S ZINC000834341075 595097531 /nfs/dbraw/zinc/09/75/31/595097531.db2.gz MKEZYXXLBHKPQW-JTQLQIEISA-N 1 2 332.429 1.196 20 30 EDEDLO C[N@@H+](Cc1cn(Cc2cccnc2)nn1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008224 595121074 /nfs/dbraw/zinc/12/10/74/595121074.db2.gz UBLHLXRUPICFHY-LJQANCHMSA-N 1 2 348.410 1.758 20 30 EDEDLO C[N@H+](Cc1cn(Cc2cccnc2)nn1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008224 595121076 /nfs/dbraw/zinc/12/10/76/595121076.db2.gz UBLHLXRUPICFHY-LJQANCHMSA-N 1 2 348.410 1.758 20 30 EDEDLO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[NH+]2CCSCC2)C1=O ZINC000101535849 595164855 /nfs/dbraw/zinc/16/48/55/595164855.db2.gz VUTPNVGAPIZKSE-INIZCTEOSA-N 1 2 330.413 1.332 20 30 EDEDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)CCc1ccc(C#N)cc1 ZINC000842967363 595248747 /nfs/dbraw/zinc/24/87/47/595248747.db2.gz SOVKMWPLNPMGNF-YJBOKZPZSA-N 1 2 346.427 1.770 20 30 EDEDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)CCc1ccc(C#N)cc1 ZINC000842967363 595248749 /nfs/dbraw/zinc/24/87/49/595248749.db2.gz SOVKMWPLNPMGNF-YJBOKZPZSA-N 1 2 346.427 1.770 20 30 EDEDLO C=C(C)CONC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000846536644 595269386 /nfs/dbraw/zinc/26/93/86/595269386.db2.gz UUGRTONNDSLCIS-UHFFFAOYSA-N 1 2 332.404 1.134 20 30 EDEDLO Cc1ccc(-c2noc(CON=C(N)C[NH+]3CCSCC3)n2)cc1 ZINC000121483917 595270509 /nfs/dbraw/zinc/27/05/09/595270509.db2.gz ONWRFQMHWWFXAU-UHFFFAOYSA-N 1 2 347.444 1.883 20 30 EDEDLO CCN1C[C@H](C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)OC1=O ZINC000846792621 595316986 /nfs/dbraw/zinc/31/69/86/595316986.db2.gz OZJCQTOFLISTRW-AWEZNQCLSA-N 1 2 332.379 1.660 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 ZINC000847023518 595352349 /nfs/dbraw/zinc/35/23/49/595352349.db2.gz CWYOVPPZSVXVMG-OCCSQVGLSA-N 1 2 332.425 1.985 20 30 EDEDLO C#C[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 ZINC000847023518 595352351 /nfs/dbraw/zinc/35/23/51/595352351.db2.gz CWYOVPPZSVXVMG-OCCSQVGLSA-N 1 2 332.425 1.985 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000847027673 595352875 /nfs/dbraw/zinc/35/28/75/595352875.db2.gz CKCHWAZFDGOBQX-LLVKDONJSA-N 1 2 331.441 1.619 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000847027673 595352879 /nfs/dbraw/zinc/35/28/79/595352879.db2.gz CKCHWAZFDGOBQX-LLVKDONJSA-N 1 2 331.441 1.619 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccn(-c3ccc(C)cc3)n2)CC1 ZINC000848663470 595425029 /nfs/dbraw/zinc/42/50/29/595425029.db2.gz DFOQZQVLGRSJFD-UHFFFAOYSA-N 1 2 337.427 1.370 20 30 EDEDLO CN(CCC#N)C[C@H](O)C[NH+]1CC(O)(c2cccc3ccccc32)C1 ZINC000848673922 595426615 /nfs/dbraw/zinc/42/66/15/595426615.db2.gz FERNOSARHHMJIW-KRWDZBQOSA-N 1 2 339.439 1.549 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CN1CC(O)(c2cccc3ccccc32)C1 ZINC000848673922 595426617 /nfs/dbraw/zinc/42/66/17/595426617.db2.gz FERNOSARHHMJIW-KRWDZBQOSA-N 1 2 339.439 1.549 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CN1CC(O)(c2cccc3ccccc32)C1 ZINC000848673922 595426619 /nfs/dbraw/zinc/42/66/19/595426619.db2.gz FERNOSARHHMJIW-KRWDZBQOSA-N 1 2 339.439 1.549 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)ccn12 ZINC000847993424 595509562 /nfs/dbraw/zinc/50/95/62/595509562.db2.gz KFWHYONORDAJJC-UHFFFAOYSA-N 1 2 346.394 1.872 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000850608402 595551517 /nfs/dbraw/zinc/55/15/17/595551517.db2.gz GFKJETQTMFWBPW-UHFFFAOYSA-N 1 2 345.399 1.440 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000855300681 595666675 /nfs/dbraw/zinc/66/66/75/595666675.db2.gz ZBQCIYAGZXFEFY-DNVCBOLYSA-N 1 2 335.411 1.924 20 30 EDEDLO Cc1ccc(-c2noc(CO[NH+]=C(N)CN3CCOCC3)n2)cc1 ZINC000111181954 595712273 /nfs/dbraw/zinc/71/22/73/595712273.db2.gz APEUWYKEZSTZED-UHFFFAOYSA-N 1 2 331.376 1.166 20 30 EDEDLO C=CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@@H](C)COC ZINC000853333505 595737741 /nfs/dbraw/zinc/73/77/41/595737741.db2.gz GLCNSZMPNKMIDK-AWEZNQCLSA-N 1 2 329.404 2.000 20 30 EDEDLO COC(=O)CCN1CC[C@@H](O[NH+]=C(N)c2ccc(Cl)cc2)C1=O ZINC000853646164 595845424 /nfs/dbraw/zinc/84/54/24/595845424.db2.gz NLBUPLWKATYEPS-GFCCVEGCSA-N 1 2 339.779 1.141 20 30 EDEDLO C#CCOCCC(=O)OCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000861022147 595867136 /nfs/dbraw/zinc/86/71/36/595867136.db2.gz RUHJMEBPEYKONV-UHFFFAOYSA-N 1 2 344.411 1.028 20 30 EDEDLO C#CCSCCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000853775223 595877128 /nfs/dbraw/zinc/87/71/28/595877128.db2.gz RRMYMSRWTKXUAW-UHFFFAOYSA-N 1 2 325.478 1.107 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000859019076 595951078 /nfs/dbraw/zinc/95/10/78/595951078.db2.gz JLCDSHFGALBUDI-MRXNPFEDSA-N 1 2 330.432 1.650 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000851873263 595957433 /nfs/dbraw/zinc/95/74/33/595957433.db2.gz UMWDUSARYQUWCX-UHFFFAOYSA-N 1 2 333.457 1.149 20 30 EDEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCOCC1 ZINC000851945145 595980807 /nfs/dbraw/zinc/98/08/07/595980807.db2.gz VXNFOWGXBLCAAD-KRWDZBQOSA-N 1 2 342.443 1.909 20 30 EDEDLO Cc1nnc(N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)c(C#N)c1C ZINC000856530505 596012118 /nfs/dbraw/zinc/01/21/18/596012118.db2.gz HVOQUVWEOUQNPQ-LSDHHAIUSA-N 1 2 336.399 1.320 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852723863 596233340 /nfs/dbraw/zinc/23/33/40/596233340.db2.gz ITJVWJKLQMKLBJ-ZDUSSCGKSA-N 1 2 342.399 1.802 20 30 EDEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859960025 596234099 /nfs/dbraw/zinc/23/40/99/596234099.db2.gz GVQJMPJSXZCPFY-GRYCIOLGSA-N 1 2 342.424 1.668 20 30 EDEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859960025 596234100 /nfs/dbraw/zinc/23/41/00/596234100.db2.gz GVQJMPJSXZCPFY-GRYCIOLGSA-N 1 2 342.424 1.668 20 30 EDEDLO C#CCCOc1ccc(C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000862456247 596331783 /nfs/dbraw/zinc/33/17/83/596331783.db2.gz NPXCTOIQQKQYDN-UHFFFAOYSA-N 1 2 348.468 1.699 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\c1ccc(C=O)cc1 ZINC000865070142 596463304 /nfs/dbraw/zinc/46/33/04/596463304.db2.gz OTYMPLKGBCIQNI-SREVYHEPSA-N 1 2 341.411 1.587 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2sc([C@H]3CCOC3)nc2C)CC1 ZINC000865085778 596468669 /nfs/dbraw/zinc/46/86/69/596468669.db2.gz QJUCXNRKWFTINX-AWEZNQCLSA-N 1 2 333.457 1.737 20 30 EDEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cncc(C#N)c1 ZINC000867679720 596492212 /nfs/dbraw/zinc/49/22/12/596492212.db2.gz JUKKDKYFRJRBIW-UHFFFAOYSA-N 1 2 346.412 1.970 20 30 EDEDLO COc1cccc([C@H](C#N)NC(=O)/C=C\C[NH+]2CCOCC2)c1OC ZINC000865175162 596500729 /nfs/dbraw/zinc/50/07/29/596500729.db2.gz OTBUZOZOXLPXKG-QZDDGCDVSA-N 1 2 345.399 1.273 20 30 EDEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)co1 ZINC000869485056 596538489 /nfs/dbraw/zinc/53/84/89/596538489.db2.gz IEFYSWUSIKLEJQ-MRXNPFEDSA-N 1 2 326.356 1.177 20 30 EDEDLO N#Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)co1 ZINC000869485056 596538491 /nfs/dbraw/zinc/53/84/91/596538491.db2.gz IEFYSWUSIKLEJQ-MRXNPFEDSA-N 1 2 326.356 1.177 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)CC2)c(Cl)c1 ZINC000867837024 596579229 /nfs/dbraw/zinc/57/92/29/596579229.db2.gz OLLVCYSPSAMGNF-OAHLLOKOSA-N 1 2 345.790 1.317 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2nc(Cl)nc3ccccc32)CC1 ZINC000865507077 596594042 /nfs/dbraw/zinc/59/40/42/596594042.db2.gz YPLRVBKFODJDRK-UHFFFAOYSA-N 1 2 343.818 1.155 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)c3[nH+]cccc3C2)C1 ZINC000867879058 596598273 /nfs/dbraw/zinc/59/82/73/596598273.db2.gz UIIANHHPVQXLLD-OAHLLOKOSA-N 1 2 342.443 1.675 20 30 EDEDLO CC(C)(C)OC(=O)NCC(F)(F)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863555040 596617089 /nfs/dbraw/zinc/61/70/89/596617089.db2.gz MFHUTFLSFQYTAO-LLVKDONJSA-N 1 2 333.379 1.791 20 30 EDEDLO C=CCNc1nnc(S(=O)(=O)Cc2[nH+]ccn2CC(F)F)s1 ZINC000871631852 596657277 /nfs/dbraw/zinc/65/72/77/596657277.db2.gz MJDFHLYGOXIXNU-UHFFFAOYSA-N 1 2 349.388 1.572 20 30 EDEDLO Cc1nc(N2CCN(C(=O)Nc3cc(CC#N)ccn3)CC2)cc[nH+]1 ZINC000871728170 596679283 /nfs/dbraw/zinc/67/92/83/596679283.db2.gz RAESJMLIWIEVIO-UHFFFAOYSA-N 1 2 337.387 1.600 20 30 EDEDLO C=C(Cl)C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(=O)OCC ZINC000870029662 596716456 /nfs/dbraw/zinc/71/64/56/596716456.db2.gz NRYVDPNDTMDYFW-RYUDHWBXSA-N 1 2 325.796 1.636 20 30 EDEDLO C=C(Cl)C[C@H](NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1)C(=O)OCC ZINC000870036598 596719978 /nfs/dbraw/zinc/71/99/78/596719978.db2.gz WTUVRJXUDRETCB-STQMWFEESA-N 1 2 339.823 1.944 20 30 EDEDLO N#Cc1cc(N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)nc(C2CC2)n1 ZINC000865959095 596738170 /nfs/dbraw/zinc/73/81/70/596738170.db2.gz IJPKEFLIOGQJMU-JKSUJKDBSA-N 1 2 348.410 1.580 20 30 EDEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCN(c3ccc(C#N)cc3)CC1)CC2 ZINC000870091833 596746220 /nfs/dbraw/zinc/74/62/20/596746220.db2.gz LTAWSTUUNKZRKG-QGZVFWFLSA-N 1 2 349.438 1.974 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)cc1 ZINC000870096551 596748875 /nfs/dbraw/zinc/74/88/75/596748875.db2.gz PQYVBVZNHFUDSY-INIZCTEOSA-N 1 2 335.411 1.666 20 30 EDEDLO CCOc1ccc(/C=[NH+]/CCCN2CCCS2(=O)=O)c(O)c1 ZINC000864347644 596862920 /nfs/dbraw/zinc/86/29/20/596862920.db2.gz VKKAYMIDBSWLBM-FOWTUZBSSA-N 1 2 326.418 1.635 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)NCC1([NH+]3CCOCC3)CC1)C2 ZINC000868544670 596879039 /nfs/dbraw/zinc/87/90/39/596879039.db2.gz GHWHQKLSYUOVNV-QGZVFWFLSA-N 1 2 340.427 1.189 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317582 596879464 /nfs/dbraw/zinc/87/94/64/596879464.db2.gz XPTRCUORHPGUFS-KBXCAEBGSA-N 1 2 329.448 1.776 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317582 596879467 /nfs/dbraw/zinc/87/94/67/596879467.db2.gz XPTRCUORHPGUFS-KBXCAEBGSA-N 1 2 329.448 1.776 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000875916547 597033619 /nfs/dbraw/zinc/03/36/19/597033619.db2.gz JBZTZCSGFVOLPY-HNNXBMFYSA-N 1 2 331.420 1.045 20 30 EDEDLO CC(C)[C@@]1(C)NC(=O)N(C[N@H+](C)CCc2cccc(C#N)c2)C1=O ZINC000872706190 597039169 /nfs/dbraw/zinc/03/91/69/597039169.db2.gz XHWOFYJLGATGDC-GOSISDBHSA-N 1 2 328.416 1.957 20 30 EDEDLO CC(C)[C@@]1(C)NC(=O)N(C[N@@H+](C)CCc2cccc(C#N)c2)C1=O ZINC000872706190 597039171 /nfs/dbraw/zinc/03/91/71/597039171.db2.gz XHWOFYJLGATGDC-GOSISDBHSA-N 1 2 328.416 1.957 20 30 EDEDLO COC(=O)c1c2cnn(C[NH+]3CCN(CCC#N)CC3)c2ccc1C ZINC000872733139 597050614 /nfs/dbraw/zinc/05/06/14/597050614.db2.gz RKFFQAUFJYTYQE-UHFFFAOYSA-N 1 2 341.415 1.620 20 30 EDEDLO Cc1nccn1C[C@@H](C)CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876729090 597309842 /nfs/dbraw/zinc/30/98/42/597309842.db2.gz DQNGGBQFBRQHDR-UGSOOPFHSA-N 1 2 337.427 1.703 20 30 EDEDLO C=CCCCCCCNC(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000873880191 597429636 /nfs/dbraw/zinc/42/96/36/597429636.db2.gz ATGWGNLUMPOZKX-UHFFFAOYSA-N 1 2 333.436 1.520 20 30 EDEDLO C=CCCCCCCNC(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000873880191 597429637 /nfs/dbraw/zinc/42/96/37/597429637.db2.gz ATGWGNLUMPOZKX-UHFFFAOYSA-N 1 2 333.436 1.520 20 30 EDEDLO CC(C)(C#N)CNC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000875476642 597444488 /nfs/dbraw/zinc/44/44/88/597444488.db2.gz PLBFVNQDQAACOC-UONOGXRCSA-N 1 2 329.404 1.096 20 30 EDEDLO CO[C@H]1C[C@@H]2CN(C(=O)NCC3(C#N)CC3)Cc3ccc[nH+]c3N2C1 ZINC000875552162 597475168 /nfs/dbraw/zinc/47/51/68/597475168.db2.gz FWIHOPKOYPVNHP-CABCVRRESA-N 1 2 341.415 1.504 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000877348309 597498009 /nfs/dbraw/zinc/49/80/09/597498009.db2.gz APPDJJQPXBUDGJ-UHFFFAOYSA-N 1 2 340.406 1.876 20 30 EDEDLO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877481495 597522965 /nfs/dbraw/zinc/52/29/65/597522965.db2.gz JBWAKVVENZHKTM-DZGCQCFKSA-N 1 2 339.823 1.452 20 30 EDEDLO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877481495 597522967 /nfs/dbraw/zinc/52/29/67/597522967.db2.gz JBWAKVVENZHKTM-DZGCQCFKSA-N 1 2 339.823 1.452 20 30 EDEDLO C#CCn1ccc(CN(CCOC)CC(C)(C)[NH+]2CCOCC2)n1 ZINC000877485175 597523526 /nfs/dbraw/zinc/52/35/26/597523526.db2.gz XVOUMAFADPTTBF-UHFFFAOYSA-N 1 2 334.464 1.076 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc1C#N ZINC000877815203 597559642 /nfs/dbraw/zinc/55/96/42/597559642.db2.gz SEGGWSHQWXIZRB-CALCHBBNSA-N 1 2 334.441 1.823 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc1C#N ZINC000877815203 597559643 /nfs/dbraw/zinc/55/96/43/597559643.db2.gz SEGGWSHQWXIZRB-CALCHBBNSA-N 1 2 334.441 1.823 20 30 EDEDLO C=CC[N@@H+](C[C@H](O)C[C@H](O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000878242437 597589396 /nfs/dbraw/zinc/58/93/96/597589396.db2.gz RIJOSXRUVGNKGA-ZACQAIPSSA-N 1 2 339.457 1.146 20 30 EDEDLO C=CC[N@H+](C[C@H](O)C[C@H](O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000878242437 597589397 /nfs/dbraw/zinc/58/93/97/597589397.db2.gz RIJOSXRUVGNKGA-ZACQAIPSSA-N 1 2 339.457 1.146 20 30 EDEDLO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584693 597644720 /nfs/dbraw/zinc/64/47/20/597644720.db2.gz GKGJIFPPHTXTAC-AWEZNQCLSA-N 1 2 343.431 1.303 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1=O ZINC000879220554 597854767 /nfs/dbraw/zinc/85/47/67/597854767.db2.gz RYVVMYYWYMOBNA-ZNMIVQPWSA-N 1 2 335.448 1.857 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1=O ZINC000879220554 597854768 /nfs/dbraw/zinc/85/47/68/597854768.db2.gz RYVVMYYWYMOBNA-ZNMIVQPWSA-N 1 2 335.448 1.857 20 30 EDEDLO COc1cccc(C[NH+]2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)c1 ZINC000879450666 597921646 /nfs/dbraw/zinc/92/16/46/597921646.db2.gz MRLUZDMFBREWEE-INIZCTEOSA-N 1 2 344.459 1.573 20 30 EDEDLO CC(C)C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000880590385 597974196 /nfs/dbraw/zinc/97/41/96/597974196.db2.gz PLLRXIFGLPQRBL-SJORKVTESA-N 1 2 342.443 1.885 20 30 EDEDLO CC(C)C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000880590385 597974197 /nfs/dbraw/zinc/97/41/97/597974197.db2.gz PLLRXIFGLPQRBL-SJORKVTESA-N 1 2 342.443 1.885 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000884070579 597985279 /nfs/dbraw/zinc/98/52/79/597985279.db2.gz QDVMUGBJROBNEI-LSDHHAIUSA-N 1 2 334.441 1.750 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000884194228 598022358 /nfs/dbraw/zinc/02/23/58/598022358.db2.gz DDCITCKHMMMIEZ-KGLIPLIRSA-N 1 2 329.400 1.449 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(OC(F)F)cc1F ZINC000884323478 598066810 /nfs/dbraw/zinc/06/68/10/598066810.db2.gz PQHDSVZSOUWPTB-JTQLQIEISA-N 1 2 332.278 1.812 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000884326112 598068828 /nfs/dbraw/zinc/06/88/28/598068828.db2.gz JVQILWFFJAMPSF-ZACQAIPSSA-N 1 2 330.428 1.961 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1C[C@@H](OC)C1(CC)CC ZINC000884327753 598069288 /nfs/dbraw/zinc/06/92/88/598069288.db2.gz BBKWNTCNIIOXAK-MELADBBJSA-N 1 2 326.437 1.485 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000915215107 695763003 /nfs/dbraw/zinc/76/30/03/695763003.db2.gz HVTCFYLAPDZFAD-CJNGLKHVSA-N 1 2 349.394 1.563 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000915215107 695763004 /nfs/dbraw/zinc/76/30/04/695763004.db2.gz HVTCFYLAPDZFAD-CJNGLKHVSA-N 1 2 349.394 1.563 20 30 EDEDLO CCn1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)n1 ZINC000993237331 695867002 /nfs/dbraw/zinc/86/70/02/695867002.db2.gz QLQMILFECOBRPV-XJKSGUPXSA-N 1 2 340.431 1.886 20 30 EDEDLO CCn1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)n1 ZINC000993237331 695867003 /nfs/dbraw/zinc/86/70/03/695867003.db2.gz QLQMILFECOBRPV-XJKSGUPXSA-N 1 2 340.431 1.886 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3cccc(N(C)C)c3)C2)cn1 ZINC001031279149 696109640 /nfs/dbraw/zinc/10/96/40/696109640.db2.gz PEELFJJOVJQSBQ-UHFFFAOYSA-N 1 2 334.423 1.743 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cn[nH]n2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993544900 696219101 /nfs/dbraw/zinc/21/91/01/696219101.db2.gz UPAPGLFINSFBJK-GWCFXTLKSA-N 1 2 330.417 1.521 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cn[nH]n2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993544900 696219103 /nfs/dbraw/zinc/21/91/03/696219103.db2.gz UPAPGLFINSFBJK-GWCFXTLKSA-N 1 2 330.417 1.521 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H]1C ZINC000993514225 696224786 /nfs/dbraw/zinc/22/47/86/696224786.db2.gz ZGKSFVXYGPGLHH-QWHCGFSZSA-N 1 2 338.839 1.749 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H]1C ZINC000993514225 696224787 /nfs/dbraw/zinc/22/47/87/696224787.db2.gz ZGKSFVXYGPGLHH-QWHCGFSZSA-N 1 2 338.839 1.749 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CN2CCCNC2=O)[C@H]1C ZINC000993575633 696229508 /nfs/dbraw/zinc/22/95/08/696229508.db2.gz YQOZVHQUOFDTQG-CHWSQXEVSA-N 1 2 328.844 1.123 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCNC2=O)[C@H]1C ZINC000993575633 696229510 /nfs/dbraw/zinc/22/95/10/696229510.db2.gz YQOZVHQUOFDTQG-CHWSQXEVSA-N 1 2 328.844 1.123 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CCC(Nc2ccc(C#N)nn2)CC1 ZINC001060599702 696234000 /nfs/dbraw/zinc/23/40/00/696234000.db2.gz QNGPRELHACLZQJ-UHFFFAOYSA-N 1 2 339.403 1.462 20 30 EDEDLO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@H]1C ZINC000993929368 696448448 /nfs/dbraw/zinc/44/84/48/696448448.db2.gz PLJKMXVIYVKMEL-CHWSQXEVSA-N 1 2 340.445 1.842 20 30 EDEDLO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@H]1C ZINC000993929368 696448450 /nfs/dbraw/zinc/44/84/50/696448450.db2.gz PLJKMXVIYVKMEL-CHWSQXEVSA-N 1 2 340.445 1.842 20 30 EDEDLO CC(C)C#CC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001060765346 700113225 /nfs/dbraw/zinc/11/32/25/700113225.db2.gz BHFUWQLCXXGQPD-WKILWMFISA-N 1 2 344.459 1.413 20 30 EDEDLO C=CC[N@@H+](CC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000917071348 696910539 /nfs/dbraw/zinc/91/05/39/696910539.db2.gz RLJLRMJMRPFLGY-HNNXBMFYSA-N 1 2 330.494 1.699 20 30 EDEDLO C=CC[N@H+](CC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000917071348 696910542 /nfs/dbraw/zinc/91/05/42/696910542.db2.gz RLJLRMJMRPFLGY-HNNXBMFYSA-N 1 2 330.494 1.699 20 30 EDEDLO Cn1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)cn1 ZINC001031539091 697223980 /nfs/dbraw/zinc/22/39/80/697223980.db2.gz VVOSFKUTARTRSR-UHFFFAOYSA-N 1 2 326.375 1.273 20 30 EDEDLO CCn1cc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)cn1 ZINC001031587905 697284271 /nfs/dbraw/zinc/28/42/71/697284271.db2.gz WNLDAKPRKQPCEF-UHFFFAOYSA-N 1 2 341.390 1.776 20 30 EDEDLO COc1cc(C[NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)sn1 ZINC001031603478 697302130 /nfs/dbraw/zinc/30/21/30/697302130.db2.gz RJJAXVRMCVTVKE-UHFFFAOYSA-N 1 2 331.401 1.213 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)[C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000919874631 697354945 /nfs/dbraw/zinc/35/49/45/697354945.db2.gz BZZKRSREKNDHTK-ULQDDVLXSA-N 1 2 336.432 1.699 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000919874631 697354947 /nfs/dbraw/zinc/35/49/47/697354947.db2.gz BZZKRSREKNDHTK-ULQDDVLXSA-N 1 2 336.432 1.699 20 30 EDEDLO Cc1ccnc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)n1 ZINC001031641347 697392133 /nfs/dbraw/zinc/39/21/33/697392133.db2.gz COHCBPBHSUEHQW-UHFFFAOYSA-N 1 2 327.413 1.580 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cncc(OC)n2)C1 ZINC001031680602 697499958 /nfs/dbraw/zinc/49/99/58/697499958.db2.gz JLJMEDUXOQRCSU-CVEARBPZSA-N 1 2 346.431 1.014 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)C1 ZINC001031712613 697726426 /nfs/dbraw/zinc/72/64/26/697726426.db2.gz DPTCUHWIHJHGLN-CQSZACIVSA-N 1 2 341.883 1.824 20 30 EDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@@H](C)C1 ZINC000943252471 698012442 /nfs/dbraw/zinc/01/24/42/698012442.db2.gz APMCALSJRMBDHV-STQMWFEESA-N 1 2 338.429 1.147 20 30 EDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@@H](C)C1 ZINC000943252471 698012445 /nfs/dbraw/zinc/01/24/45/698012445.db2.gz APMCALSJRMBDHV-STQMWFEESA-N 1 2 338.429 1.147 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000943349931 698131298 /nfs/dbraw/zinc/13/12/98/698131298.db2.gz QMQXTKMTTPGFBT-OCCSQVGLSA-N 1 2 339.399 1.833 20 30 EDEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CCCCN(C(=O)[C@@H](C)C#N)C1 ZINC000943340127 698159207 /nfs/dbraw/zinc/15/92/07/698159207.db2.gz RJMLWQHVTDCOJM-DZGCQCFKSA-N 1 2 344.415 1.290 20 30 EDEDLO C=CCn1cccc1C(=O)NCC1C[NH+](CC(=O)NC2CCCC2)C1 ZINC001031733206 698200841 /nfs/dbraw/zinc/20/08/41/698200841.db2.gz QJYMPIXMUUEKGJ-UHFFFAOYSA-N 1 2 344.459 1.395 20 30 EDEDLO C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1)n1cc[nH+]c1 ZINC000940099357 700211415 /nfs/dbraw/zinc/21/14/15/700211415.db2.gz YBWFWMUKOBOTLW-GXTWGEPZSA-N 1 2 340.387 1.065 20 30 EDEDLO Cc1ncn(C)c1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031747244 698900141 /nfs/dbraw/zinc/90/01/41/698900141.db2.gz FVDZJTZBZPRNPI-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[C@]34CCOC4)C2)ccc1F ZINC001032117032 698981988 /nfs/dbraw/zinc/98/19/88/698981988.db2.gz VZFDVSHIQKVPRY-APWZRJJASA-N 1 2 343.402 1.672 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cccc(C4CC4)c3)CC2)C1 ZINC000941499872 701560966 /nfs/dbraw/zinc/56/09/66/701560966.db2.gz GGZZHPSXYCGMEC-UHFFFAOYSA-N 1 2 337.467 1.568 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nccc4ccccc43)CC2)C1 ZINC000941538187 701569714 /nfs/dbraw/zinc/56/97/14/701569714.db2.gz VRMQOPZVPWDXFR-UHFFFAOYSA-N 1 2 334.423 1.310 20 30 EDEDLO C[C@@H]1C[C@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CO1 ZINC001031790560 699257795 /nfs/dbraw/zinc/25/77/95/699257795.db2.gz UQWNKAUYZAJXHC-WBMJQRKESA-N 1 2 331.391 1.670 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)c(F)c3F)CC2)C1 ZINC000941578345 701587949 /nfs/dbraw/zinc/58/79/49/701587949.db2.gz ILBLITDNWQIVPU-UHFFFAOYSA-N 1 2 347.409 1.739 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3oc(C4CC4)nc3C)CC2)C1 ZINC000941600250 701592522 /nfs/dbraw/zinc/59/25/22/701592522.db2.gz ZAHWHBKITJINOD-UHFFFAOYSA-N 1 2 342.443 1.326 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@]3(C)C[C@@H]3c3ccccc3)CC2)C1 ZINC000941600696 701592674 /nfs/dbraw/zinc/59/26/74/701592674.db2.gz ALPWMCKMNKTMGW-CTNGQTDRSA-N 1 2 337.467 1.642 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4scnc4c3)CC2)C1 ZINC000941627363 701599270 /nfs/dbraw/zinc/59/92/70/701599270.db2.gz FDWHCLLOUFVYKD-UHFFFAOYSA-N 1 2 340.452 1.372 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OC)c(Cl)c3)CC2)C1 ZINC000941662028 701610152 /nfs/dbraw/zinc/61/01/52/701610152.db2.gz RWGQOYDPLOZBDU-UHFFFAOYSA-N 1 2 347.846 1.424 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)C1 ZINC000941648875 701610943 /nfs/dbraw/zinc/61/09/43/701610943.db2.gz FANHGADBQACLLF-UHFFFAOYSA-N 1 2 341.499 1.664 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000941671797 701613657 /nfs/dbraw/zinc/61/36/57/701613657.db2.gz ZBGYRBXJXXYUMP-UHFFFAOYSA-N 1 2 332.448 1.626 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3Cc4c3cccc4Cl)CC2)C1 ZINC000941681912 701626185 /nfs/dbraw/zinc/62/61/85/701626185.db2.gz YPFQRSCVNLYFQN-KRWDZBQOSA-N 1 2 343.858 1.441 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000945437351 700288515 /nfs/dbraw/zinc/28/85/15/700288515.db2.gz CSKMMKCBWGMYNH-JSGCOSHPSA-N 1 2 332.448 1.826 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3COc4ccccc43)CC2)C1 ZINC000941687858 701633212 /nfs/dbraw/zinc/63/32/12/701633212.db2.gz VCCXZONGOCQOLC-SFHVURJKSA-N 1 2 339.439 1.014 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)C1 ZINC000945512465 700395880 /nfs/dbraw/zinc/39/58/80/700395880.db2.gz JVEHGPVJFHPVJK-UKRRQHHQSA-N 1 2 330.432 1.662 20 30 EDEDLO CC(C)C#CC(=O)NC[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001060766796 700503741 /nfs/dbraw/zinc/50/37/41/700503741.db2.gz FHVIZGZURRNHTD-QAQDUYKDSA-N 1 2 344.459 1.724 20 30 EDEDLO CC1(C)C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940685650 700844924 /nfs/dbraw/zinc/84/49/24/700844924.db2.gz FOAIOGPHYBPTCP-CQSZACIVSA-N 1 2 328.376 1.300 20 30 EDEDLO CC1(C)C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940685650 700844926 /nfs/dbraw/zinc/84/49/26/700844926.db2.gz FOAIOGPHYBPTCP-CQSZACIVSA-N 1 2 328.376 1.300 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nonc2C)CC1(C)C ZINC000941039308 701061693 /nfs/dbraw/zinc/06/16/93/701061693.db2.gz OJIDBUSTUSOUKC-VNQPRFMTSA-N 1 2 348.447 1.686 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nonc2C)CC1(C)C ZINC000941039308 701061695 /nfs/dbraw/zinc/06/16/95/701061695.db2.gz OJIDBUSTUSOUKC-VNQPRFMTSA-N 1 2 348.447 1.686 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000941225809 701415941 /nfs/dbraw/zinc/41/59/41/701415941.db2.gz VONHLBWOKDZENT-LSDHHAIUSA-N 1 2 342.443 1.519 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Oc3ccccc3F)CC2)C1 ZINC000941413682 701528727 /nfs/dbraw/zinc/52/87/27/701528727.db2.gz DNFLPSAHMLQHFZ-OAHLLOKOSA-N 1 2 345.418 1.055 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)c(F)ccc3Cl)CC2)C1 ZINC000941463764 701545453 /nfs/dbraw/zinc/54/54/53/701545453.db2.gz AFYZCDDMPRUASO-UHFFFAOYSA-N 1 2 349.837 1.863 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](C)C1 ZINC000941851170 701958280 /nfs/dbraw/zinc/95/82/80/701958280.db2.gz RNRDPWVSPRLAEF-JOYOIKCWSA-N 1 2 327.226 1.759 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](C)C1 ZINC000941851170 701958283 /nfs/dbraw/zinc/95/82/83/701958283.db2.gz RNRDPWVSPRLAEF-JOYOIKCWSA-N 1 2 327.226 1.759 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cscn2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941941276 702172994 /nfs/dbraw/zinc/17/29/94/702172994.db2.gz BJSFTMBCASKUCR-NHYWBVRUSA-N 1 2 329.429 1.983 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cscn2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000941941276 702173000 /nfs/dbraw/zinc/17/30/00/702173000.db2.gz BJSFTMBCASKUCR-NHYWBVRUSA-N 1 2 329.429 1.983 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031987254 702414460 /nfs/dbraw/zinc/41/44/60/702414460.db2.gz DXPMFDXBHPUIKJ-AEFFLSMTSA-N 1 2 343.402 1.836 20 30 EDEDLO C=C[C@H](C(=O)N1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000942280786 702794385 /nfs/dbraw/zinc/79/43/85/702794385.db2.gz WJQVRYZIPUYBQF-CVEARBPZSA-N 1 2 338.411 1.639 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc2c1OCCO2 ZINC001032318275 703002134 /nfs/dbraw/zinc/00/21/34/703002134.db2.gz KVUHOOJUDLZSLX-SNPRPXQTSA-N 1 2 327.384 1.403 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc2c1OCCO2 ZINC001032318275 703002137 /nfs/dbraw/zinc/00/21/37/703002137.db2.gz KVUHOOJUDLZSLX-SNPRPXQTSA-N 1 2 327.384 1.403 20 30 EDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@H](C)C1 ZINC000942518062 703012675 /nfs/dbraw/zinc/01/26/75/703012675.db2.gz LKQRUYDZXACWLH-MWLCHTKSSA-N 1 2 328.338 1.810 20 30 EDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@H](C)C1 ZINC000942518062 703012676 /nfs/dbraw/zinc/01/26/76/703012676.db2.gz LKQRUYDZXACWLH-MWLCHTKSSA-N 1 2 328.338 1.810 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001032034495 703096333 /nfs/dbraw/zinc/09/63/33/703096333.db2.gz VWMACBZPTYTGSY-AWEZNQCLSA-N 1 2 325.840 1.188 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC([NH2+]Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000996875036 703151611 /nfs/dbraw/zinc/15/16/11/703151611.db2.gz FDZUDZIXSBFBJU-UHFFFAOYSA-N 1 2 343.431 1.315 20 30 EDEDLO C[C@@H](NC(=O)c1cc(C#N)c[nH]1)C1CC[NH+](Cc2ncnn2C)CC1 ZINC000997007698 703265022 /nfs/dbraw/zinc/26/50/22/703265022.db2.gz YJTDZDNKWIYFHZ-GFCCVEGCSA-N 1 2 341.419 1.045 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@H](C)COC)nc1C ZINC001032403108 703421052 /nfs/dbraw/zinc/42/10/52/703421052.db2.gz RTTJHKNMYVHPEU-KBMXLJTQSA-N 1 2 330.432 1.321 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@H](C)COC)nc1C ZINC001032403108 703421054 /nfs/dbraw/zinc/42/10/54/703421054.db2.gz RTTJHKNMYVHPEU-KBMXLJTQSA-N 1 2 330.432 1.321 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn3c2CCC3)cc1 ZINC001032436516 703603988 /nfs/dbraw/zinc/60/39/88/703603988.db2.gz KPPCLIGUVPXWDI-IRXDYDNUSA-N 1 2 347.422 1.800 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn3c2CCC3)cc1 ZINC001032436516 703603990 /nfs/dbraw/zinc/60/39/90/703603990.db2.gz KPPCLIGUVPXWDI-IRXDYDNUSA-N 1 2 347.422 1.800 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H]3COCC[N@H+]3CCCC)C2)C1 ZINC000999290093 706785188 /nfs/dbraw/zinc/78/51/88/706785188.db2.gz HGLVVFPTNMRVOE-INIZCTEOSA-N 1 2 349.475 1.171 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H]3COCC[N@@H+]3CCCC)C2)C1 ZINC000999290093 706785191 /nfs/dbraw/zinc/78/51/91/706785191.db2.gz HGLVVFPTNMRVOE-INIZCTEOSA-N 1 2 349.475 1.171 20 30 EDEDLO Cn1nccc1CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004446553 704430902 /nfs/dbraw/zinc/43/09/02/704430902.db2.gz MUAMMHBFOUMPIU-KRWDZBQOSA-N 1 2 329.448 1.579 20 30 EDEDLO Cn1nccc1CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004446553 704430904 /nfs/dbraw/zinc/43/09/04/704430904.db2.gz MUAMMHBFOUMPIU-KRWDZBQOSA-N 1 2 329.448 1.579 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC000997754902 704659895 /nfs/dbraw/zinc/65/98/95/704659895.db2.gz VVMOCIJGQDPKJK-MAZHCROVSA-N 1 2 348.447 1.686 20 30 EDEDLO N#Cc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)CCn2cc[nH+]c2)s1 ZINC001032551640 704693205 /nfs/dbraw/zinc/69/32/05/704693205.db2.gz ZFSCMIWHSPHTQD-KBPBESRZSA-N 1 2 341.440 1.692 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO[C@@H]2CC2(F)F)cc1 ZINC001032555325 704719546 /nfs/dbraw/zinc/71/95/46/704719546.db2.gz JCGCZCCEVBJFIA-YESZJQIVSA-N 1 2 346.377 1.991 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO[C@@H]2CC2(F)F)cc1 ZINC001032555325 704719548 /nfs/dbraw/zinc/71/95/48/704719548.db2.gz JCGCZCCEVBJFIA-YESZJQIVSA-N 1 2 346.377 1.991 20 30 EDEDLO C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC000998046189 705242576 /nfs/dbraw/zinc/24/25/76/705242576.db2.gz WJRZXAMISWWPHP-MXZCIGPVSA-N 1 2 337.383 1.584 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnns3)[C@H](C)C2)nc1 ZINC000947947875 706103364 /nfs/dbraw/zinc/10/33/64/706103364.db2.gz JWMYCJVFUCEKGB-OCCSQVGLSA-N 1 2 341.440 1.697 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnns3)[C@H](C)C2)nc1 ZINC000947947875 706103366 /nfs/dbraw/zinc/10/33/66/706103366.db2.gz JWMYCJVFUCEKGB-OCCSQVGLSA-N 1 2 341.440 1.697 20 30 EDEDLO CC(C)CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000998744865 706181767 /nfs/dbraw/zinc/18/17/67/706181767.db2.gz DEMLKXVVEFPVJN-ZIAGYGMSSA-N 1 2 333.436 1.898 20 30 EDEDLO CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000998960722 706380419 /nfs/dbraw/zinc/38/04/19/706380419.db2.gz IFWVKQQDBMPHBM-ZDUSSCGKSA-N 1 2 342.403 1.787 20 30 EDEDLO C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001061591718 707613247 /nfs/dbraw/zinc/61/32/47/707613247.db2.gz JYVMTFSJCBDTBX-HOTGVXAUSA-N 1 2 348.447 1.534 20 30 EDEDLO CN(C(=O)[C@]1(F)CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033368229 707698248 /nfs/dbraw/zinc/69/82/48/707698248.db2.gz IXOXWKZBHUNCQL-AEFFLSMTSA-N 1 2 331.391 1.720 20 30 EDEDLO CN(C(=O)[C@]1(F)CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033368229 707698249 /nfs/dbraw/zinc/69/82/49/707698249.db2.gz IXOXWKZBHUNCQL-AEFFLSMTSA-N 1 2 331.391 1.720 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccnc2C)cn1 ZINC001032738330 707764022 /nfs/dbraw/zinc/76/40/22/707764022.db2.gz WSARLGXPPWRSPS-OALUTQOASA-N 1 2 332.407 1.865 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccnc2C)cn1 ZINC001032738330 707764025 /nfs/dbraw/zinc/76/40/25/707764025.db2.gz WSARLGXPPWRSPS-OALUTQOASA-N 1 2 332.407 1.865 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001033516423 708130301 /nfs/dbraw/zinc/13/03/01/708130301.db2.gz ANKLLKJSFFDILY-AWEZNQCLSA-N 1 2 336.823 1.939 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(NC(C)=O)c2)C1 ZINC001033516423 708130303 /nfs/dbraw/zinc/13/03/03/708130303.db2.gz ANKLLKJSFFDILY-AWEZNQCLSA-N 1 2 336.823 1.939 20 30 EDEDLO CN(C(=O)c1ncccn1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033526060 708141133 /nfs/dbraw/zinc/14/11/33/708141133.db2.gz MHWAMMITYSBEHT-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO CN(C(=O)c1ncccn1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033526060 708141137 /nfs/dbraw/zinc/14/11/37/708141137.db2.gz MHWAMMITYSBEHT-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO N#Cc1cncc(NC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001061025637 708295797 /nfs/dbraw/zinc/29/57/97/708295797.db2.gz QZHIIDVMFXKWIZ-LBPRGKRZSA-N 1 2 347.382 1.799 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(OC)no3)C2)nc1 ZINC001033596819 708302672 /nfs/dbraw/zinc/30/26/72/708302672.db2.gz MWTLRTBRGXSTTH-AWEZNQCLSA-N 1 2 340.383 1.406 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(OC)no3)C2)nc1 ZINC001033596819 708302675 /nfs/dbraw/zinc/30/26/75/708302675.db2.gz MWTLRTBRGXSTTH-AWEZNQCLSA-N 1 2 340.383 1.406 20 30 EDEDLO CCN(C(=O)c1cn(C)nn1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033824384 708814111 /nfs/dbraw/zinc/81/41/11/708814111.db2.gz QBNDSKZCNHQTEZ-INIZCTEOSA-N 1 2 338.415 1.423 20 30 EDEDLO CCN(C(=O)c1cn(C)nn1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033824384 708814112 /nfs/dbraw/zinc/81/41/12/708814112.db2.gz QBNDSKZCNHQTEZ-INIZCTEOSA-N 1 2 338.415 1.423 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001005405856 708902640 /nfs/dbraw/zinc/90/26/40/708902640.db2.gz HZHDEVHXFRWYMB-CVEARBPZSA-N 1 2 348.447 1.782 20 30 EDEDLO N#Cc1cnc(N[C@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c(F)c1 ZINC001061094034 709012934 /nfs/dbraw/zinc/01/29/34/709012934.db2.gz CKZZWQURZJJGOY-KGLIPLIRSA-N 1 2 342.378 1.828 20 30 EDEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CCS(C)(=O)=O)C2)CC1 ZINC001033946801 709124475 /nfs/dbraw/zinc/12/44/75/709124475.db2.gz YLBDNFKVUIXJDZ-MRXNPFEDSA-N 1 2 342.505 1.700 20 30 EDEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CCS(C)(=O)=O)C2)CC1 ZINC001033946801 709124477 /nfs/dbraw/zinc/12/44/77/709124477.db2.gz YLBDNFKVUIXJDZ-MRXNPFEDSA-N 1 2 342.505 1.700 20 30 EDEDLO N#Cc1cnc(N[C@@H]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c(F)c1 ZINC001061107904 709140447 /nfs/dbraw/zinc/14/04/47/709140447.db2.gz RGNJEZIRLGAOBU-CHWSQXEVSA-N 1 2 342.378 1.897 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC001002767268 709365446 /nfs/dbraw/zinc/36/54/46/709365446.db2.gz WPHPUDHBSBOREC-UHFFFAOYSA-N 1 2 327.363 1.815 20 30 EDEDLO CCn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034164798 709438393 /nfs/dbraw/zinc/43/83/93/709438393.db2.gz SGCFIKPIPRPSMJ-OAHLLOKOSA-N 1 2 340.431 1.887 20 30 EDEDLO CCn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034164798 709438394 /nfs/dbraw/zinc/43/83/94/709438394.db2.gz SGCFIKPIPRPSMJ-OAHLLOKOSA-N 1 2 340.431 1.887 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000922048467 709473070 /nfs/dbraw/zinc/47/30/70/709473070.db2.gz YVAPRFPNLWSXAH-HZPDHXFCSA-N 1 2 328.416 1.848 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H](NC(=O)c3ccns3)C2)C1=O ZINC001034229863 709586327 /nfs/dbraw/zinc/58/63/27/709586327.db2.gz WNCIGRSPKCKLIV-KBPBESRZSA-N 1 2 348.472 1.514 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H](NC(=O)c3ccns3)C2)C1=O ZINC001034229863 709586329 /nfs/dbraw/zinc/58/63/29/709586329.db2.gz WNCIGRSPKCKLIV-KBPBESRZSA-N 1 2 348.472 1.514 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](N(C)c2ccc(C#N)cn2)C1 ZINC001061221041 709787973 /nfs/dbraw/zinc/78/79/73/709787973.db2.gz SJELYZHAGOXNFV-HNNXBMFYSA-N 1 2 338.415 1.655 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001003028231 709832031 /nfs/dbraw/zinc/83/20/31/709832031.db2.gz DUUHKBWPGHCDCY-UHFFFAOYSA-N 1 2 326.400 1.963 20 30 EDEDLO CN(c1ccncc1C#N)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001061245150 709927745 /nfs/dbraw/zinc/92/77/45/709927745.db2.gz UCBVULXDUBOPIW-INIZCTEOSA-N 1 2 338.415 1.667 20 30 EDEDLO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001034427953 709964453 /nfs/dbraw/zinc/96/44/53/709964453.db2.gz KRBLMCBWJISJHR-ZDUSSCGKSA-N 1 2 340.445 1.844 20 30 EDEDLO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001034427953 709964456 /nfs/dbraw/zinc/96/44/56/709964456.db2.gz KRBLMCBWJISJHR-ZDUSSCGKSA-N 1 2 340.445 1.844 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001003780635 710551808 /nfs/dbraw/zinc/55/18/08/710551808.db2.gz UJNIVXDULCQQML-IRXDYDNUSA-N 1 2 332.448 1.482 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCO[C@H]2C)CC1 ZINC001003851769 710710247 /nfs/dbraw/zinc/71/02/47/710710247.db2.gz OUDZVPSWFOCFGP-AAEUAGOBSA-N 1 2 331.254 1.901 20 30 EDEDLO C=C[C@H](CC)CC(=O)NC[C@@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001061797917 710967156 /nfs/dbraw/zinc/96/71/56/710967156.db2.gz SCBUHQYLXSTRFA-HUUCEWRRSA-N 1 2 348.447 1.288 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032979754 711103235 /nfs/dbraw/zinc/10/32/35/711103235.db2.gz FPDLIDYXYFETHA-MRXNPFEDSA-N 1 2 341.390 1.696 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032979754 711103237 /nfs/dbraw/zinc/10/32/37/711103237.db2.gz FPDLIDYXYFETHA-MRXNPFEDSA-N 1 2 341.390 1.696 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3cnns3)CC2)nc1 ZINC001004002314 711239552 /nfs/dbraw/zinc/23/95/52/711239552.db2.gz BFWCVIPBJWSEDQ-UHFFFAOYSA-N 1 2 327.413 1.309 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccnc3n[nH]nc32)CC1 ZINC001004483411 711874136 /nfs/dbraw/zinc/87/41/36/711874136.db2.gz IKMILLNVDSIVRZ-CQSZACIVSA-N 1 2 339.403 1.193 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccnc3n[nH]nc32)CC1 ZINC001004483411 711874137 /nfs/dbraw/zinc/87/41/37/711874137.db2.gz IKMILLNVDSIVRZ-CQSZACIVSA-N 1 2 339.403 1.193 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2nccn3ccnc23)CC1 ZINC001004553037 711979538 /nfs/dbraw/zinc/97/95/38/711979538.db2.gz PXZCPWAMXUWFQC-OAHLLOKOSA-N 1 2 338.415 1.569 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2nccn3ccnc23)CC1 ZINC001004553037 711979540 /nfs/dbraw/zinc/97/95/40/711979540.db2.gz PXZCPWAMXUWFQC-OAHLLOKOSA-N 1 2 338.415 1.569 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 ZINC001004622768 712069679 /nfs/dbraw/zinc/06/96/79/712069679.db2.gz ZRNGBXYYSHXYDR-AWEZNQCLSA-N 1 2 346.456 1.687 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 ZINC001004622768 712069681 /nfs/dbraw/zinc/06/96/81/712069681.db2.gz ZRNGBXYYSHXYDR-AWEZNQCLSA-N 1 2 346.456 1.687 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCN2CCCC2=O)CC1 ZINC001004620019 712081224 /nfs/dbraw/zinc/08/12/24/712081224.db2.gz FFEJXRDVDWGNSY-MRXNPFEDSA-N 1 2 332.448 1.225 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCN2CCCC2=O)CC1 ZINC001004620019 712081228 /nfs/dbraw/zinc/08/12/28/712081228.db2.gz FFEJXRDVDWGNSY-MRXNPFEDSA-N 1 2 332.448 1.225 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001061542787 712307104 /nfs/dbraw/zinc/30/71/04/712307104.db2.gz MVTGOJSXEULVNN-HUUCEWRRSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001033170272 712320124 /nfs/dbraw/zinc/32/01/24/712320124.db2.gz DXNIDHHJVORGML-VXGBXAGGSA-N 1 2 344.253 1.096 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001033170272 712320127 /nfs/dbraw/zinc/32/01/27/712320127.db2.gz DXNIDHHJVORGML-VXGBXAGGSA-N 1 2 344.253 1.096 20 30 EDEDLO C[C@H](Cn1cccn1)[NH+]=C([O-])N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000328984060 539380987 /nfs/dbraw/zinc/38/09/87/539380987.db2.gz FYVSNMVNHLVYBS-ZIAGYGMSSA-N 1 2 348.451 1.311 20 30 EDEDLO CC(C)CN(C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1)C(C)C ZINC000101543776 219134304 /nfs/dbraw/zinc/13/43/04/219134304.db2.gz WEMZJAOXORWGLJ-UHFFFAOYSA-N 1 2 343.475 1.968 20 30 EDEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000329303182 539427419 /nfs/dbraw/zinc/42/74/19/539427419.db2.gz XEDSEERADLXTAW-AWEZNQCLSA-N 1 2 347.463 1.979 20 30 EDEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCCCCC1 ZINC000329431709 539436192 /nfs/dbraw/zinc/43/61/92/539436192.db2.gz KQNJXIIENDJJKZ-UHFFFAOYSA-N 1 2 336.480 1.721 20 30 EDEDLO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000067414917 215142073 /nfs/dbraw/zinc/14/20/73/215142073.db2.gz RYMWKEFRWPXZQQ-AWEZNQCLSA-N 1 2 332.404 1.555 20 30 EDEDLO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000067414917 215142075 /nfs/dbraw/zinc/14/20/75/215142075.db2.gz RYMWKEFRWPXZQQ-AWEZNQCLSA-N 1 2 332.404 1.555 20 30 EDEDLO N#Cc1ccc(CCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000080930748 138265144 /nfs/dbraw/zinc/26/51/44/138265144.db2.gz LHMWSJPIKSDBCD-GOSISDBHSA-N 1 2 327.428 1.814 20 30 EDEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NCc2cccc(C)c2)cs1 ZINC000111176884 237111262 /nfs/dbraw/zinc/11/12/62/237111262.db2.gz MJEJSOCSOHHSEJ-UHFFFAOYSA-N 1 2 332.429 1.908 20 30 EDEDLO N#CCCN(CCC(=O)Nc1ccc(F)cc1)CC[NH+]1CCOCC1 ZINC000176266469 237328850 /nfs/dbraw/zinc/32/88/50/237328850.db2.gz HHCBTXSHLXIDPG-UHFFFAOYSA-N 1 2 348.422 1.702 20 30 EDEDLO N#CCC[N@@H+](CCC(=O)Nc1ccc(F)cc1)CCN1CCOCC1 ZINC000176266469 237328858 /nfs/dbraw/zinc/32/88/58/237328858.db2.gz HHCBTXSHLXIDPG-UHFFFAOYSA-N 1 2 348.422 1.702 20 30 EDEDLO N#CCC[N@H+](CCC(=O)Nc1ccc(F)cc1)CCN1CCOCC1 ZINC000176266469 237328868 /nfs/dbraw/zinc/32/88/68/237328868.db2.gz HHCBTXSHLXIDPG-UHFFFAOYSA-N 1 2 348.422 1.702 20 30 EDEDLO C=CC[NH+](CC=C)CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000072634977 216285780 /nfs/dbraw/zinc/28/57/80/216285780.db2.gz VOELSJYHQMRZRW-AWEZNQCLSA-N 1 2 333.407 1.793 20 30 EDEDLO COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246436743 139108473 /nfs/dbraw/zinc/10/84/73/139108473.db2.gz KQYFUWUSMHWAHT-DIFFPNOSSA-N 1 2 333.388 1.980 20 30 EDEDLO COC(=O)[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246436743 139108474 /nfs/dbraw/zinc/10/84/74/139108474.db2.gz KQYFUWUSMHWAHT-DIFFPNOSSA-N 1 2 333.388 1.980 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 ZINC000245929334 249304975 /nfs/dbraw/zinc/30/49/75/249304975.db2.gz ZOGYIXWUFQMZSJ-HUUCEWRRSA-N 1 2 348.472 1.178 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 ZINC000245929334 249304979 /nfs/dbraw/zinc/30/49/79/249304979.db2.gz ZOGYIXWUFQMZSJ-HUUCEWRRSA-N 1 2 348.472 1.178 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247235185 249315646 /nfs/dbraw/zinc/31/56/46/249315646.db2.gz ZOFFOTWJPAOHJR-QKFKETGDSA-N 1 2 335.473 1.864 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000247235185 249315652 /nfs/dbraw/zinc/31/56/52/249315652.db2.gz ZOFFOTWJPAOHJR-QKFKETGDSA-N 1 2 335.473 1.864 20 30 EDEDLO C=CC[N@H+](Cc1nnc(C)n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343564436 250013918 /nfs/dbraw/zinc/01/39/18/250013918.db2.gz NXUNQKAITFORLU-ZDUSSCGKSA-N 1 2 338.419 1.848 20 30 EDEDLO C=CC[N@@H+](Cc1nnc(C)n1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343564436 250013927 /nfs/dbraw/zinc/01/39/27/250013927.db2.gz NXUNQKAITFORLU-ZDUSSCGKSA-N 1 2 338.419 1.848 20 30 EDEDLO C=CCCN(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000341960535 250005278 /nfs/dbraw/zinc/00/52/78/250005278.db2.gz PLIQRYSXNJBUAW-UHFFFAOYSA-N 1 2 331.420 1.509 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)Nc2c[nH+]ccc2OC)c1 ZINC000346712191 250044355 /nfs/dbraw/zinc/04/43/55/250044355.db2.gz CQRDKQQUMBZZEY-UHFFFAOYSA-N 1 2 347.396 1.807 20 30 EDEDLO COCC[C@@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000345034000 250023204 /nfs/dbraw/zinc/02/32/04/250023204.db2.gz QHYFUIUNANAIHA-WMZOPIPTSA-N 1 2 331.416 1.322 20 30 EDEDLO COCC[C@@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000345034000 250023207 /nfs/dbraw/zinc/02/32/07/250023207.db2.gz QHYFUIUNANAIHA-WMZOPIPTSA-N 1 2 331.416 1.322 20 30 EDEDLO Cc1ccc(C)c(N2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)c1 ZINC000347046204 250052782 /nfs/dbraw/zinc/05/27/82/250052782.db2.gz HBVVEXYZBUXHHU-UHFFFAOYSA-N 1 2 326.444 1.988 20 30 EDEDLO N#CCCN(C(=O)CCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000352054900 250071547 /nfs/dbraw/zinc/07/15/47/250071547.db2.gz IZYBUDWUXDUYCX-UHFFFAOYSA-N 1 2 326.356 1.991 20 30 EDEDLO COc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc(OC)c1OCC(N)=O ZINC000354044542 250085575 /nfs/dbraw/zinc/08/55/75/250085575.db2.gz JPAKAAQZYXHAFE-GFCCVEGCSA-N 1 2 347.415 1.692 20 30 EDEDLO COc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc(OC)c1OCC(N)=O ZINC000354044542 250085578 /nfs/dbraw/zinc/08/55/78/250085578.db2.gz JPAKAAQZYXHAFE-GFCCVEGCSA-N 1 2 347.415 1.692 20 30 EDEDLO C=CCOc1cccc(C[NH+]2CC(n3cc(C(=O)OC)nn3)C2)c1 ZINC000355007756 250104757 /nfs/dbraw/zinc/10/47/57/250104757.db2.gz XMJJVRWPOCGSRV-UHFFFAOYSA-N 1 2 328.372 1.686 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1csc2nccn12 ZINC000360353726 250161922 /nfs/dbraw/zinc/16/19/22/250161922.db2.gz RLEBAOOCJYJBIF-UHFFFAOYSA-N 1 2 347.444 1.013 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1)OCC ZINC000371054789 250210657 /nfs/dbraw/zinc/21/06/57/250210657.db2.gz MPZZXNALTPWSBX-MSOLQXFVSA-N 1 2 337.508 1.844 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CC)CCCCC)CC1 ZINC000373214790 250235248 /nfs/dbraw/zinc/23/52/48/250235248.db2.gz GHSWFNQDRXGLOO-QGZVFWFLSA-N 1 2 335.492 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC)CCCCC)CC1 ZINC000373214790 250235250 /nfs/dbraw/zinc/23/52/50/250235250.db2.gz GHSWFNQDRXGLOO-QGZVFWFLSA-N 1 2 335.492 1.877 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnc4ccccn34)CC2)c1C#N ZINC000471820409 255015724 /nfs/dbraw/zinc/01/57/24/255015724.db2.gz HGYBGNPEVRLIKU-UHFFFAOYSA-N 1 2 335.415 1.570 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCO2)CC1 ZINC000491066495 255117403 /nfs/dbraw/zinc/11/74/03/255117403.db2.gz CPPVMEIHRFOLOL-HZPDHXFCSA-N 1 2 331.464 1.726 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(C)Cc2nc3c(s2)CCCC3)CC1 ZINC000490778810 255107010 /nfs/dbraw/zinc/10/70/10/255107010.db2.gz LUQLXTVLNWLVLC-UHFFFAOYSA-N 1 2 346.500 1.231 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CON=Cc2ccccc2OC(C)C)CC1 ZINC000490799373 255107733 /nfs/dbraw/zinc/10/77/33/255107733.db2.gz GXPYSZINMBMAQT-UHFFFAOYSA-N 1 2 343.427 1.602 20 30 EDEDLO C#CC[N@@H+](CCC(=O)Nc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000491692996 255142307 /nfs/dbraw/zinc/14/23/07/255142307.db2.gz IDYWPZWDQJSJKJ-HNNXBMFYSA-N 1 2 334.441 1.446 20 30 EDEDLO C#CC[N@H+](CCC(=O)Nc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000491692996 255142308 /nfs/dbraw/zinc/14/23/08/255142308.db2.gz IDYWPZWDQJSJKJ-HNNXBMFYSA-N 1 2 334.441 1.446 20 30 EDEDLO C#C[C@H](CCC)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000491727063 255145155 /nfs/dbraw/zinc/14/51/55/255145155.db2.gz KTYURBWICNIBCV-NVXWUHKLSA-N 1 2 344.459 1.935 20 30 EDEDLO C#C[C@H](CCC)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000491727063 255145157 /nfs/dbraw/zinc/14/51/57/255145157.db2.gz KTYURBWICNIBCV-NVXWUHKLSA-N 1 2 344.459 1.935 20 30 EDEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)C(C)(C)C ZINC000491773876 255146763 /nfs/dbraw/zinc/14/67/63/255146763.db2.gz CVASQOUAVUJIJO-HNNXBMFYSA-N 1 2 326.400 1.984 20 30 EDEDLO C#C[C@H](CC)NC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000491813494 255149040 /nfs/dbraw/zinc/14/90/40/255149040.db2.gz HQORKBOQPYCDTC-MRXNPFEDSA-N 1 2 345.443 1.943 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494394867 255249326 /nfs/dbraw/zinc/24/93/26/255249326.db2.gz GKIUEOATXDXBMT-HNNXBMFYSA-N 1 2 337.464 1.145 20 30 EDEDLO C#CC[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CCCN1C(=O)OC(C)(C)C ZINC000494605565 255255539 /nfs/dbraw/zinc/25/55/39/255255539.db2.gz BYJGEGDMZXAORR-KRWDZBQOSA-N 1 2 332.404 1.819 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000496172634 255360723 /nfs/dbraw/zinc/36/07/23/255360723.db2.gz UCEVCQYOJNSNGW-INIZCTEOSA-N 1 2 338.452 1.641 20 30 EDEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)[C@@H](C)C(=O)N(C)CCC#N ZINC000119488467 221332317 /nfs/dbraw/zinc/33/23/17/221332317.db2.gz FCZGLUAZTVHGBJ-AWEZNQCLSA-N 1 2 346.431 1.716 20 30 EDEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)[C@@H](C)C(=O)N(C)CCC#N ZINC000119488467 221332320 /nfs/dbraw/zinc/33/23/20/221332320.db2.gz FCZGLUAZTVHGBJ-AWEZNQCLSA-N 1 2 346.431 1.716 20 30 EDEDLO CN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1=O ZINC000119553790 221347031 /nfs/dbraw/zinc/34/70/31/221347031.db2.gz MCOKXXQTJGWCJT-UHFFFAOYSA-N 1 2 346.456 1.601 20 30 EDEDLO CN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1=O ZINC000119553790 221347036 /nfs/dbraw/zinc/34/70/36/221347036.db2.gz MCOKXXQTJGWCJT-UHFFFAOYSA-N 1 2 346.456 1.601 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270845995 140181483 /nfs/dbraw/zinc/18/14/83/140181483.db2.gz FXUZQRMREUUCPZ-HIFRSBDPSA-N 1 2 326.400 1.582 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270845995 140181485 /nfs/dbraw/zinc/18/14/85/140181485.db2.gz FXUZQRMREUUCPZ-HIFRSBDPSA-N 1 2 326.400 1.582 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1 ZINC000331936397 141100389 /nfs/dbraw/zinc/10/03/89/141100389.db2.gz MDLSLEAOFZCHIE-GFCCVEGCSA-N 1 2 348.403 1.750 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C#N ZINC000339667762 142113542 /nfs/dbraw/zinc/11/35/42/142113542.db2.gz IHRNSYZZMUEPRL-VXGBXAGGSA-N 1 2 332.429 1.737 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N ZINC000339667762 142113545 /nfs/dbraw/zinc/11/35/45/142113545.db2.gz IHRNSYZZMUEPRL-VXGBXAGGSA-N 1 2 332.429 1.737 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C(C)(C)C1 ZINC000347220606 143296729 /nfs/dbraw/zinc/29/67/29/143296729.db2.gz YLIWKLALKPFFTC-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C(C)(C)C1 ZINC000347220606 143296730 /nfs/dbraw/zinc/29/67/30/143296730.db2.gz YLIWKLALKPFFTC-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO CCN1CCN(C(=O)Cc2c(F)cccc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354984313 150064934 /nfs/dbraw/zinc/06/49/34/150064934.db2.gz HOWJSYSRPPSTJP-MRXNPFEDSA-N 1 2 341.390 1.868 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000355467255 150281332 /nfs/dbraw/zinc/28/13/32/150281332.db2.gz QKTUIIQYYODSFU-UHFFFAOYSA-N 1 2 349.350 1.469 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+]CC(=O)N2Cc3ccccc3C2)C(N)=O)cc1 ZINC000360670899 152146543 /nfs/dbraw/zinc/14/65/43/152146543.db2.gz ZVYQRSUOGMJUDI-GOSISDBHSA-N 1 2 334.379 1.217 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000361168697 152324812 /nfs/dbraw/zinc/32/48/12/152324812.db2.gz KRVMMNLQRLJBMY-LLVKDONJSA-N 1 2 341.346 1.385 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363942853 153103171 /nfs/dbraw/zinc/10/31/71/153103171.db2.gz VYLMHIPQQSDHOR-ZBFHGGJFSA-N 1 2 329.400 1.259 20 30 EDEDLO COC(=O)C[N@@H+]1CCCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000364829036 153346030 /nfs/dbraw/zinc/34/60/30/153346030.db2.gz QGBRFWQPENZCBE-UHFFFAOYSA-N 1 2 342.321 1.657 20 30 EDEDLO COC(=O)C[N@H+]1CCCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000364829036 153346033 /nfs/dbraw/zinc/34/60/33/153346033.db2.gz QGBRFWQPENZCBE-UHFFFAOYSA-N 1 2 342.321 1.657 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367142018 154020480 /nfs/dbraw/zinc/02/04/80/154020480.db2.gz SUJVUXLOYJEIGL-HOTGVXAUSA-N 1 2 349.456 1.398 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367142018 154020485 /nfs/dbraw/zinc/02/04/85/154020485.db2.gz SUJVUXLOYJEIGL-HOTGVXAUSA-N 1 2 349.456 1.398 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1cnc2ccc(C#N)cn12 ZINC000368043436 154382510 /nfs/dbraw/zinc/38/25/10/154382510.db2.gz PPIMMFPUUVBOGM-ZBFHGGJFSA-N 1 2 325.416 1.501 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000373862332 157039439 /nfs/dbraw/zinc/03/94/39/157039439.db2.gz HOYYCKXRQCSMJH-UHFFFAOYSA-N 1 2 325.372 1.957 20 30 EDEDLO C[N@@H+]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000121468232 287371580 /nfs/dbraw/zinc/37/15/80/287371580.db2.gz HESJLVGJBWPYME-CYBMUJFWSA-N 1 2 347.419 1.167 20 30 EDEDLO C[N@H+]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000121468232 287371583 /nfs/dbraw/zinc/37/15/83/287371583.db2.gz HESJLVGJBWPYME-CYBMUJFWSA-N 1 2 347.419 1.167 20 30 EDEDLO N#Cc1cccc(N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)n1 ZINC000433757795 270012869 /nfs/dbraw/zinc/01/28/69/270012869.db2.gz KIFRXPOBAMLEJZ-UHFFFAOYSA-N 1 2 335.415 1.670 20 30 EDEDLO N#Cc1cccc(N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)n1 ZINC000433757795 270012870 /nfs/dbraw/zinc/01/28/70/270012870.db2.gz KIFRXPOBAMLEJZ-UHFFFAOYSA-N 1 2 335.415 1.670 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1ccccc1C#N ZINC000078346200 270008532 /nfs/dbraw/zinc/00/85/32/270008532.db2.gz FHHOEJLYRGHGDP-UHFFFAOYSA-N 1 2 342.399 1.012 20 30 EDEDLO CC[C@@H](C)[NH+]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000296002879 266359103 /nfs/dbraw/zinc/35/91/03/266359103.db2.gz KTCSXMBSLIIEED-CQSZACIVSA-N 1 2 336.461 1.143 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)S1 ZINC000285476363 267068323 /nfs/dbraw/zinc/06/83/23/267068323.db2.gz BDOWTMXWBHNOHD-LLVKDONJSA-N 1 2 332.404 1.946 20 30 EDEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)o1)[N@@H+]1CCc2ccccc2C1 ZINC000286624706 267163033 /nfs/dbraw/zinc/16/30/33/267163033.db2.gz MTMPKOXQKUGTLG-CYBMUJFWSA-N 1 2 345.424 1.876 20 30 EDEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)o1)[N@H+]1CCc2ccccc2C1 ZINC000286624706 267163034 /nfs/dbraw/zinc/16/30/34/267163034.db2.gz MTMPKOXQKUGTLG-CYBMUJFWSA-N 1 2 345.424 1.876 20 30 EDEDLO C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000288324741 267186169 /nfs/dbraw/zinc/18/61/69/267186169.db2.gz LGOVUIBQULRMQL-KBPBESRZSA-N 1 2 337.445 1.087 20 30 EDEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000301298847 267214403 /nfs/dbraw/zinc/21/44/03/267214403.db2.gz ZGFAVAIEVLBYDB-JKSUJKDBSA-N 1 2 341.459 1.770 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)o3)c[nH+]2)CCO1 ZINC000428180162 267764917 /nfs/dbraw/zinc/76/49/17/267764917.db2.gz CURNGBLYDFYAEE-GFCCVEGCSA-N 1 2 326.356 1.701 20 30 EDEDLO Cc1nn(C)c(N2CCN(c3cc[nH+]c4ccncc43)CC2)c1C#N ZINC000530412236 268090925 /nfs/dbraw/zinc/09/09/25/268090925.db2.gz KZPZROKJUKXAPQ-UHFFFAOYSA-N 1 2 333.399 1.870 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(C(F)F)C2)c(C#N)c1C ZINC000451435799 268104381 /nfs/dbraw/zinc/10/43/81/268104381.db2.gz RESNUSZZUZRSCE-VFZGTOFNSA-N 1 2 327.331 1.797 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(C(F)F)C2)c(C#N)c1C ZINC000451435799 268104382 /nfs/dbraw/zinc/10/43/82/268104382.db2.gz RESNUSZZUZRSCE-VFZGTOFNSA-N 1 2 327.331 1.797 20 30 EDEDLO N#Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000181340913 268139396 /nfs/dbraw/zinc/13/93/96/268139396.db2.gz HJZXKORPAJZLJL-UHFFFAOYSA-N 1 2 335.411 1.710 20 30 EDEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000428981370 268163483 /nfs/dbraw/zinc/16/34/83/268163483.db2.gz YVMWNJXCLUKKBJ-CQSZACIVSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000428981370 268163485 /nfs/dbraw/zinc/16/34/85/268163485.db2.gz YVMWNJXCLUKKBJ-CQSZACIVSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)nc1 ZINC000290410852 268188652 /nfs/dbraw/zinc/18/86/52/268188652.db2.gz UFZNBOSEUMYFBF-NVXWUHKLSA-N 1 2 349.456 1.354 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)nc1 ZINC000290410852 268188654 /nfs/dbraw/zinc/18/86/54/268188654.db2.gz UFZNBOSEUMYFBF-NVXWUHKLSA-N 1 2 349.456 1.354 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)c(F)c1 ZINC000433527775 268239796 /nfs/dbraw/zinc/23/97/96/268239796.db2.gz IDJCFNHXWAHRBJ-UHFFFAOYSA-N 1 2 327.319 1.259 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000459371417 268289493 /nfs/dbraw/zinc/28/94/93/268289493.db2.gz SMEWUNBQONEHBG-UHFFFAOYSA-N 1 2 343.387 1.846 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC3(CC2)OCCCO3)C1=O ZINC000292991844 268303627 /nfs/dbraw/zinc/30/36/27/268303627.db2.gz MGKOOBMQKFXMQY-AWEZNQCLSA-N 1 2 347.440 1.954 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCc2cccc(C#N)c2)CCN1C ZINC000275259456 268308198 /nfs/dbraw/zinc/30/81/98/268308198.db2.gz BEMYWJBNFRDSHA-INIZCTEOSA-N 1 2 338.415 1.490 20 30 EDEDLO C#CCC[NH+]1CCN(c2ccc(C(=O)CC)cc2S(N)(=O)=O)CC1 ZINC000287715802 276776859 /nfs/dbraw/zinc/77/68/59/276776859.db2.gz FQOXNSGAFZFYJK-UHFFFAOYSA-N 1 2 349.456 1.072 20 30 EDEDLO C=C(C)CNC(=O)N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000345804676 276863780 /nfs/dbraw/zinc/86/37/80/276863780.db2.gz JAEQIHOZTBIVAJ-XJKSGUPXSA-N 1 2 331.420 1.490 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000373230744 277830598 /nfs/dbraw/zinc/83/05/98/277830598.db2.gz RGAPLDTTXRNCTF-JKSUJKDBSA-N 1 2 336.480 1.727 20 30 EDEDLO O=C([C@@H]1CCCO1)N1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000366468731 280087365 /nfs/dbraw/zinc/08/73/65/280087365.db2.gz PJJSCIQMMIRVHO-SFHVURJKSA-N 1 2 330.403 1.891 20 30 EDEDLO O=C([C@@H]1CCCO1)N1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000366468731 280087367 /nfs/dbraw/zinc/08/73/67/280087367.db2.gz PJJSCIQMMIRVHO-SFHVURJKSA-N 1 2 330.403 1.891 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC3(CCOC3=O)CC2)c(C#N)c1C ZINC000370087314 294036523 /nfs/dbraw/zinc/03/65/23/294036523.db2.gz QJKXKFFXISTSMO-UHFFFAOYSA-N 1 2 331.372 1.736 20 30 EDEDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000377761425 447341922 /nfs/dbraw/zinc/34/19/22/447341922.db2.gz LRFHDDHKFLFDCO-UHFFFAOYSA-N 1 2 340.424 1.011 20 30 EDEDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000377761425 447341927 /nfs/dbraw/zinc/34/19/27/447341927.db2.gz LRFHDDHKFLFDCO-UHFFFAOYSA-N 1 2 340.424 1.011 20 30 EDEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000448809501 447348509 /nfs/dbraw/zinc/34/85/09/447348509.db2.gz IYRXWAFCWIESRR-DNVCBOLYSA-N 1 2 343.427 1.564 20 30 EDEDLO N#Cc1cnccc1NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000547825830 306112598 /nfs/dbraw/zinc/11/25/98/306112598.db2.gz YDNUGTCWKCIDCN-UHFFFAOYSA-N 1 2 341.459 1.512 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCO1 ZINC000556821278 306218639 /nfs/dbraw/zinc/21/86/39/306218639.db2.gz CARKBFMMNNNMFD-FGTMMUONSA-N 1 2 327.428 1.889 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCO1 ZINC000556821278 306218640 /nfs/dbraw/zinc/21/86/40/306218640.db2.gz CARKBFMMNNNMFD-FGTMMUONSA-N 1 2 327.428 1.889 20 30 EDEDLO N#Cc1cccc(NC(=O)Cn2c3ccccc3[nH+]c2NCCO)c1 ZINC000005185118 440939732 /nfs/dbraw/zinc/93/97/32/440939732.db2.gz YWRALMDGEIVJAZ-UHFFFAOYSA-N 1 2 335.367 1.951 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000011681730 441122679 /nfs/dbraw/zinc/12/26/79/441122679.db2.gz CITZQKHXWDVMEN-MEBBXXQBSA-N 1 2 332.433 1.898 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCOC3)CC2)cc1 ZINC000047068341 441153438 /nfs/dbraw/zinc/15/34/38/441153438.db2.gz HKSXMSCMPNGHBA-KRWDZBQOSA-N 1 2 328.416 1.422 20 30 EDEDLO CCCC[N@H+](CC(N)=O)CC(=O)Nc1ccccc1SCC#N ZINC000072577571 441239217 /nfs/dbraw/zinc/23/92/17/441239217.db2.gz PTHYSTJDSYKNSA-UHFFFAOYSA-N 1 2 334.445 1.828 20 30 EDEDLO CCCC[N@@H+](CC(N)=O)CC(=O)Nc1ccccc1SCC#N ZINC000072577571 441239221 /nfs/dbraw/zinc/23/92/21/441239221.db2.gz PTHYSTJDSYKNSA-UHFFFAOYSA-N 1 2 334.445 1.828 20 30 EDEDLO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481324 441246345 /nfs/dbraw/zinc/24/63/45/441246345.db2.gz JMGXSUCNRQZYRR-IBGZPJMESA-N 1 2 349.438 1.905 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)o1 ZINC000073108287 441294700 /nfs/dbraw/zinc/29/47/00/441294700.db2.gz GDTTZPMZYQCYOZ-UHFFFAOYSA-N 1 2 326.356 1.655 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCC(F)(F)F)cc1OC ZINC000060552870 441250659 /nfs/dbraw/zinc/25/06/59/441250659.db2.gz ZHWCDJRTRJQPHM-UHFFFAOYSA-N 1 2 335.282 1.019 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000061759146 441287947 /nfs/dbraw/zinc/28/79/47/441287947.db2.gz SPVBEHPDZNWHGX-INIZCTEOSA-N 1 2 328.416 1.500 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000061759146 441287953 /nfs/dbraw/zinc/28/79/53/441287953.db2.gz SPVBEHPDZNWHGX-INIZCTEOSA-N 1 2 328.416 1.500 20 30 EDEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NCCOCCC(C)C)cs1 ZINC000063456779 441330022 /nfs/dbraw/zinc/33/00/22/441330022.db2.gz VABKHMQIWFWWHK-UHFFFAOYSA-N 1 2 342.465 1.462 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073647720 441338563 /nfs/dbraw/zinc/33/85/63/441338563.db2.gz ZVYCUQMTNZNKQG-MRXNPFEDSA-N 1 2 341.459 1.888 20 30 EDEDLO Cc1cc(C)c(C#N)c(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000023618883 441297310 /nfs/dbraw/zinc/29/73/10/441297310.db2.gz KZVTWSVWRUJYAV-UHFFFAOYSA-N 1 2 348.414 1.573 20 30 EDEDLO N#CCCN(C(=O)C[NH+]1CCC(c2nc[nH]n2)CC1)c1ccccc1 ZINC000083442903 441360610 /nfs/dbraw/zinc/36/06/10/441360610.db2.gz VTYOSNTXYHQVTJ-UHFFFAOYSA-N 1 2 338.415 1.931 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083425068 441360932 /nfs/dbraw/zinc/36/09/32/441360932.db2.gz CYLLQXJLDQYBDY-OAHLLOKOSA-N 1 2 325.372 1.770 20 30 EDEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000026209451 441371469 /nfs/dbraw/zinc/37/14/69/441371469.db2.gz SUXCDYWXLCGVLW-SFHVURJKSA-N 1 2 329.400 1.713 20 30 EDEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000026209451 441371470 /nfs/dbraw/zinc/37/14/70/441371470.db2.gz SUXCDYWXLCGVLW-SFHVURJKSA-N 1 2 329.400 1.713 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000052072864 441434083 /nfs/dbraw/zinc/43/40/83/441434083.db2.gz YLGJXMXUQUXGQN-UHFFFAOYSA-N 1 2 334.489 1.308 20 30 EDEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000065681635 441477008 /nfs/dbraw/zinc/47/70/08/441477008.db2.gz MSXXAQSWEGBADP-UHFFFAOYSA-N 1 2 334.464 1.834 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000088592384 441514180 /nfs/dbraw/zinc/51/41/80/441514180.db2.gz PHZAMLVIAUMYNI-OAHLLOKOSA-N 1 2 344.434 1.826 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000112904234 441565090 /nfs/dbraw/zinc/56/50/90/441565090.db2.gz PUKACXUZTMYLAK-UHFFFAOYSA-N 1 2 338.411 1.065 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000112904234 441565091 /nfs/dbraw/zinc/56/50/91/441565091.db2.gz PUKACXUZTMYLAK-UHFFFAOYSA-N 1 2 338.411 1.065 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCN2CCCC2=O)c(C#N)c1C ZINC000112995151 441575863 /nfs/dbraw/zinc/57/58/63/441575863.db2.gz ABDXLJHFYUAVAY-GFCCVEGCSA-N 1 2 332.404 1.649 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCN2CCCC2=O)c(C#N)c1C ZINC000112995151 441575864 /nfs/dbraw/zinc/57/58/64/441575864.db2.gz ABDXLJHFYUAVAY-GFCCVEGCSA-N 1 2 332.404 1.649 20 30 EDEDLO N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000033236984 441593195 /nfs/dbraw/zinc/59/31/95/441593195.db2.gz PGQKULJHSSBKFS-UHFFFAOYSA-N 1 2 336.395 1.676 20 30 EDEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000038263090 441614860 /nfs/dbraw/zinc/61/48/60/441614860.db2.gz SMFYTDHJFXCYBO-UHFFFAOYSA-N 1 2 338.429 1.340 20 30 EDEDLO Cc1ccsc1CNC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158199531 441704882 /nfs/dbraw/zinc/70/48/82/441704882.db2.gz LQDNJLPWLYUIGL-UHFFFAOYSA-N 1 2 345.424 1.945 20 30 EDEDLO CC[N@H+](CCOc1ccc(C#N)cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000077248384 441742718 /nfs/dbraw/zinc/74/27/18/441742718.db2.gz GANDGVQUSRCMFU-CQSZACIVSA-N 1 2 338.429 1.455 20 30 EDEDLO CC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000077248384 441742724 /nfs/dbraw/zinc/74/27/24/441742724.db2.gz GANDGVQUSRCMFU-CQSZACIVSA-N 1 2 338.429 1.455 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]CC(=O)N2CCc3ccccc32)C(N)=O)cc1 ZINC000115599132 441763599 /nfs/dbraw/zinc/76/35/99/441763599.db2.gz YNTPZIHZQPVIEG-SFHVURJKSA-N 1 2 334.379 1.264 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000043142174 441820419 /nfs/dbraw/zinc/82/04/19/441820419.db2.gz XEQJUUOJAVDHCB-RDJZCZTQSA-N 1 2 330.432 1.688 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000043142174 441820423 /nfs/dbraw/zinc/82/04/23/441820423.db2.gz XEQJUUOJAVDHCB-RDJZCZTQSA-N 1 2 330.432 1.688 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000043142169 441820469 /nfs/dbraw/zinc/82/04/69/441820469.db2.gz XEQJUUOJAVDHCB-NVXWUHKLSA-N 1 2 330.432 1.688 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000043142169 441820471 /nfs/dbraw/zinc/82/04/71/441820471.db2.gz XEQJUUOJAVDHCB-NVXWUHKLSA-N 1 2 330.432 1.688 20 30 EDEDLO C=CC[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000116955385 441860900 /nfs/dbraw/zinc/86/09/00/441860900.db2.gz DDRJYCODSZQXAJ-CYBMUJFWSA-N 1 2 345.447 1.547 20 30 EDEDLO Cc1ccnc(NC(=O)CN(C)Cc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000092761779 441826558 /nfs/dbraw/zinc/82/65/58/441826558.db2.gz RFMMESFMYWURHH-UHFFFAOYSA-N 1 2 334.383 1.980 20 30 EDEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)C1 ZINC000094157359 441909041 /nfs/dbraw/zinc/90/90/41/441909041.db2.gz LIWAZIRQRLUJNM-NVXWUHKLSA-N 1 2 341.459 1.770 20 30 EDEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078720660 441965384 /nfs/dbraw/zinc/96/53/84/441965384.db2.gz HMSWJDNJOREENR-IAGOWNOFSA-N 1 2 336.480 1.324 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cc(C#N)c[nH]3)c[nH+]2)C[C@H](C)O1 ZINC000175327150 442042928 /nfs/dbraw/zinc/04/29/28/442042928.db2.gz QXGKIDQKROFGSU-STQMWFEESA-N 1 2 339.399 1.825 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000151371073 442049202 /nfs/dbraw/zinc/04/92/02/442049202.db2.gz ANMSPXIGNAMQGM-MRXNPFEDSA-N 1 2 336.351 1.572 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000079510751 442057020 /nfs/dbraw/zinc/05/70/20/442057020.db2.gz RJSZTRAQAYWSPK-CQSZACIVSA-N 1 2 339.403 1.070 20 30 EDEDLO COc1ccc(F)cc1C[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000120657559 442112600 /nfs/dbraw/zinc/11/26/00/442112600.db2.gz MPEXHEIXYQWLKU-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152182436 442177266 /nfs/dbraw/zinc/17/72/66/442177266.db2.gz YQCUGTAISCYSJF-HIFRSBDPSA-N 1 2 344.463 1.870 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152182436 442177268 /nfs/dbraw/zinc/17/72/68/442177268.db2.gz YQCUGTAISCYSJF-HIFRSBDPSA-N 1 2 344.463 1.870 20 30 EDEDLO C[C@@H](CNS(=O)(=O)CC1(C#N)CC1)[N@@H+]1CCc2sccc2C1 ZINC000164543745 442198426 /nfs/dbraw/zinc/19/84/26/442198426.db2.gz NJZIOTIBAJHDLY-LBPRGKRZSA-N 1 2 339.486 1.718 20 30 EDEDLO C[C@@H](CNS(=O)(=O)CC1(C#N)CC1)[N@H+]1CCc2sccc2C1 ZINC000164543745 442198429 /nfs/dbraw/zinc/19/84/29/442198429.db2.gz NJZIOTIBAJHDLY-LBPRGKRZSA-N 1 2 339.486 1.718 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)CCCCC1 ZINC000121401419 442212755 /nfs/dbraw/zinc/21/27/55/442212755.db2.gz WRLCYLKUKHNBNA-UHFFFAOYSA-N 1 2 332.448 1.273 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCN(C(=O)C3CC3)CC2)CCCCC1 ZINC000121401419 442212757 /nfs/dbraw/zinc/21/27/57/442212757.db2.gz WRLCYLKUKHNBNA-UHFFFAOYSA-N 1 2 332.448 1.273 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000170653505 442242670 /nfs/dbraw/zinc/24/26/70/442242670.db2.gz NUJARAGHSMCDPN-UHFFFAOYSA-N 1 2 342.424 1.460 20 30 EDEDLO C=CCN(Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000177279544 442324445 /nfs/dbraw/zinc/32/44/45/442324445.db2.gz NLTAQWGSAJLHFB-OAHLLOKOSA-N 1 2 332.429 1.442 20 30 EDEDLO C=CC[N@@H+](CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000171749384 442376703 /nfs/dbraw/zinc/37/67/03/442376703.db2.gz JJMURUSWDQHEFW-CQSZACIVSA-N 1 2 325.430 1.749 20 30 EDEDLO C=CC[N@H+](CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000171749384 442376706 /nfs/dbraw/zinc/37/67/06/442376706.db2.gz JJMURUSWDQHEFW-CQSZACIVSA-N 1 2 325.430 1.749 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(C)c2F)CC1 ZINC000155483629 442401712 /nfs/dbraw/zinc/40/17/12/442401712.db2.gz LSNWPIKAYNEYLA-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C)c2F)CC1 ZINC000155483629 442401716 /nfs/dbraw/zinc/40/17/16/442401716.db2.gz LSNWPIKAYNEYLA-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO COc1cccc(OCCN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000154849191 442360731 /nfs/dbraw/zinc/36/07/31/442360731.db2.gz BSHZHBMZMOMIJV-UHFFFAOYSA-N 1 2 333.432 1.622 20 30 EDEDLO O=C(C[NH+]1CCN(CC#Cc2ccccc2Cl)CC1)NC1CC1 ZINC000134955263 442541172 /nfs/dbraw/zinc/54/11/72/442541172.db2.gz GKAKXRPDOBQWEG-UHFFFAOYSA-N 1 2 331.847 1.588 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+](CCO)Cc1cccnc1)c1ccccc1 ZINC000156826056 442525173 /nfs/dbraw/zinc/52/51/73/442525173.db2.gz XUIYFNVQWVEUNK-UHFFFAOYSA-N 1 2 338.411 1.823 20 30 EDEDLO N#CCCN(C(=O)C[N@H+](CCO)Cc1cccnc1)c1ccccc1 ZINC000156826056 442525176 /nfs/dbraw/zinc/52/51/76/442525176.db2.gz XUIYFNVQWVEUNK-UHFFFAOYSA-N 1 2 338.411 1.823 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180320546 442580634 /nfs/dbraw/zinc/58/06/34/442580634.db2.gz WEEXMNRYMSEMPI-HNNXBMFYSA-N 1 2 326.444 1.607 20 30 EDEDLO Cc1cccc([C@@H](CNC(=O)c2ccc(C#N)[nH]2)[NH+]2CCOCC2)c1 ZINC000157682266 442603584 /nfs/dbraw/zinc/60/35/84/442603584.db2.gz NRIOARJAVSOVJJ-GOSISDBHSA-N 1 2 338.411 1.998 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000180685820 442647917 /nfs/dbraw/zinc/64/79/17/442647917.db2.gz BNYPQTNTJDNEPS-UHFFFAOYSA-N 1 2 331.416 1.492 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000192633376 442671004 /nfs/dbraw/zinc/67/10/04/442671004.db2.gz PDRGCPCSOQDJLG-HNNXBMFYSA-N 1 2 349.479 1.407 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188292897 442734524 /nfs/dbraw/zinc/73/45/24/442734524.db2.gz FPGPTXYMZYIEFR-UHFFFAOYSA-N 1 2 340.383 1.827 20 30 EDEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000181690359 442709512 /nfs/dbraw/zinc/70/95/12/442709512.db2.gz QCEATZOWEXZRBM-ZDUSSCGKSA-N 1 2 330.388 1.080 20 30 EDEDLO C[N@H+](CC(=O)NC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182633574 442799358 /nfs/dbraw/zinc/79/93/58/442799358.db2.gz CHOLQQZKVZPVAK-MRXNPFEDSA-N 1 2 342.443 1.900 20 30 EDEDLO C[N@@H+](CC(=O)NC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182633574 442799361 /nfs/dbraw/zinc/79/93/61/442799361.db2.gz CHOLQQZKVZPVAK-MRXNPFEDSA-N 1 2 342.443 1.900 20 30 EDEDLO C[C@@H](C#N)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000182657062 442802537 /nfs/dbraw/zinc/80/25/37/442802537.db2.gz BPKICHAYCZXZBY-RDJZCZTQSA-N 1 2 330.432 1.389 20 30 EDEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000189087683 442874654 /nfs/dbraw/zinc/87/46/54/442874654.db2.gz QMKOXEWDJSSBLA-UHFFFAOYSA-N 1 2 343.836 1.212 20 30 EDEDLO N#Cc1ccc(Cl)c(S(=O)(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000189087683 442874656 /nfs/dbraw/zinc/87/46/56/442874656.db2.gz QMKOXEWDJSSBLA-UHFFFAOYSA-N 1 2 343.836 1.212 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCN(C)C2=O)c1C ZINC000265631590 442852948 /nfs/dbraw/zinc/85/29/48/442852948.db2.gz FUZYXKFUYGZOCT-KRWDZBQOSA-N 1 2 342.443 1.713 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCN(C)C2=O)c1C ZINC000265631590 442852952 /nfs/dbraw/zinc/85/29/52/442852952.db2.gz FUZYXKFUYGZOCT-KRWDZBQOSA-N 1 2 342.443 1.713 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249013863 442945056 /nfs/dbraw/zinc/94/50/56/442945056.db2.gz PDRRQLGDVQCOMV-JZRYZNKLSA-N 1 2 349.475 1.797 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249013863 442945060 /nfs/dbraw/zinc/94/50/60/442945060.db2.gz PDRRQLGDVQCOMV-JZRYZNKLSA-N 1 2 349.475 1.797 20 30 EDEDLO Cc1nc(N2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)cc[nH+]1 ZINC000183764279 442961185 /nfs/dbraw/zinc/96/11/85/442961185.db2.gz SXIPBXPLCFDCLX-UHFFFAOYSA-N 1 2 342.447 1.250 20 30 EDEDLO C=CCCO[C@H](C)C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000195199865 442995879 /nfs/dbraw/zinc/99/58/79/442995879.db2.gz MQOAEMNWHMAEMB-KLHKWILBSA-N 1 2 340.464 1.354 20 30 EDEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000189800393 443013279 /nfs/dbraw/zinc/01/32/79/443013279.db2.gz VNZZDZAOWIIHOF-CYBMUJFWSA-N 1 2 334.445 1.795 20 30 EDEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000189800393 443013282 /nfs/dbraw/zinc/01/32/82/443013282.db2.gz VNZZDZAOWIIHOF-CYBMUJFWSA-N 1 2 334.445 1.795 20 30 EDEDLO C=CC[N@@H+](CCOC)CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000191109899 443242556 /nfs/dbraw/zinc/24/25/56/443242556.db2.gz VUTAYQVOVQMDTJ-UHFFFAOYSA-N 1 2 347.459 1.801 20 30 EDEDLO C=CC[N@H+](CCOC)CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000191109899 443242560 /nfs/dbraw/zinc/24/25/60/443242560.db2.gz VUTAYQVOVQMDTJ-UHFFFAOYSA-N 1 2 347.459 1.801 20 30 EDEDLO CC#CCCCC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000185475312 443206232 /nfs/dbraw/zinc/20/62/32/443206232.db2.gz MYWNMEDRWIWQAM-UHFFFAOYSA-N 1 2 342.443 1.593 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000185487941 443208438 /nfs/dbraw/zinc/20/84/38/443208438.db2.gz MAJQVLUAPMOQTM-UHFFFAOYSA-N 1 2 335.429 1.283 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(C)c2C)CC1 ZINC000264130490 443251612 /nfs/dbraw/zinc/25/16/12/443251612.db2.gz GKQRFTKWZBQMND-UHFFFAOYSA-N 1 2 327.428 1.201 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C)c2C)CC1 ZINC000264130490 443251613 /nfs/dbraw/zinc/25/16/13/443251613.db2.gz GKQRFTKWZBQMND-UHFFFAOYSA-N 1 2 327.428 1.201 20 30 EDEDLO CCN(CC)C(=O)CN1CCC[N@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191221604 443261428 /nfs/dbraw/zinc/26/14/28/443261428.db2.gz PCECUMGLBZXTLF-UHFFFAOYSA-N 1 2 331.464 1.273 20 30 EDEDLO CCN(CC)C(=O)CN1CCC[N@@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191221604 443261432 /nfs/dbraw/zinc/26/14/32/443261432.db2.gz PCECUMGLBZXTLF-UHFFFAOYSA-N 1 2 331.464 1.273 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC#Cc3ccccc3)C2)CC1 ZINC000264379277 443269430 /nfs/dbraw/zinc/26/94/30/443269430.db2.gz IAAKYDRLUOYJHY-LJQANCHMSA-N 1 2 340.471 1.460 20 30 EDEDLO CO[C@H](C)c1noc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000267067159 443330662 /nfs/dbraw/zinc/33/06/62/443330662.db2.gz VBWWURQTKQDALJ-CQSZACIVSA-N 1 2 341.415 1.966 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000264462434 443299734 /nfs/dbraw/zinc/29/97/34/443299734.db2.gz RVBXUDAFXLCJIJ-GJZGRUSLSA-N 1 2 330.432 1.078 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000278678299 443399648 /nfs/dbraw/zinc/39/96/48/443399648.db2.gz IJKXFSVBPAEMIX-CQSZACIVSA-N 1 2 337.445 1.041 20 30 EDEDLO C#CCNC(=O)CN1CCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000270505230 443474885 /nfs/dbraw/zinc/47/48/85/443474885.db2.gz NGSKLGAPRDSWMZ-UHFFFAOYSA-N 1 2 343.475 1.595 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267418007 443450868 /nfs/dbraw/zinc/45/08/68/443450868.db2.gz TVNSHFMZNIKSAK-CQSZACIVSA-N 1 2 327.432 1.523 20 30 EDEDLO COc1c(O)cccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000272239407 443564981 /nfs/dbraw/zinc/56/49/81/443564981.db2.gz AKSKNFYOADDOIG-CYBMUJFWSA-N 1 2 339.399 1.773 20 30 EDEDLO COc1c(O)cccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000272239407 443564987 /nfs/dbraw/zinc/56/49/87/443564987.db2.gz AKSKNFYOADDOIG-CYBMUJFWSA-N 1 2 339.399 1.773 20 30 EDEDLO CC(C)(C#N)CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000279375304 443568824 /nfs/dbraw/zinc/56/88/24/443568824.db2.gz XKNLJVLXTUDEPU-UHFFFAOYSA-N 1 2 345.443 1.954 20 30 EDEDLO C=CC[C@H](C(=O)NCC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC000275167947 443622797 /nfs/dbraw/zinc/62/27/97/443622797.db2.gz UAKZQONWYBLTAU-SFHVURJKSA-N 1 2 329.444 1.627 20 30 EDEDLO N#Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccn1 ZINC000280091033 443663244 /nfs/dbraw/zinc/66/32/44/443663244.db2.gz AUAKPWANLLDDOT-SFHVURJKSA-N 1 2 336.395 1.584 20 30 EDEDLO N#Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccn1 ZINC000280091033 443663248 /nfs/dbraw/zinc/66/32/48/443663248.db2.gz AUAKPWANLLDDOT-SFHVURJKSA-N 1 2 336.395 1.584 20 30 EDEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000276341947 443689945 /nfs/dbraw/zinc/68/99/45/443689945.db2.gz UDKKXXCNFNDHDN-ZDUSSCGKSA-N 1 2 325.409 1.824 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000286344751 443694745 /nfs/dbraw/zinc/69/47/45/443694745.db2.gz BIVXLNHWYBWBIG-FUHWJXTLSA-N 1 2 329.444 1.641 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(OC)cc3)n2C)CC1 ZINC000283748039 443705004 /nfs/dbraw/zinc/70/50/04/443705004.db2.gz FQSDWRQKLRYETE-UHFFFAOYSA-N 1 2 341.415 1.158 20 30 EDEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)NCCCCC#N)CC1 ZINC000286761771 443724466 /nfs/dbraw/zinc/72/44/66/443724466.db2.gz PSMIGYZNMVLPST-HNNXBMFYSA-N 1 2 343.431 1.097 20 30 EDEDLO CN1CCO[C@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000284693574 443784138 /nfs/dbraw/zinc/78/41/38/443784138.db2.gz IBYQNQQXGNTUTC-HOTGVXAUSA-N 1 2 348.834 1.555 20 30 EDEDLO CN1CCO[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000284693574 443784139 /nfs/dbraw/zinc/78/41/39/443784139.db2.gz IBYQNQQXGNTUTC-HOTGVXAUSA-N 1 2 348.834 1.555 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000284693574 443784141 /nfs/dbraw/zinc/78/41/41/443784141.db2.gz IBYQNQQXGNTUTC-HOTGVXAUSA-N 1 2 348.834 1.555 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000284693574 443784142 /nfs/dbraw/zinc/78/41/42/443784142.db2.gz IBYQNQQXGNTUTC-HOTGVXAUSA-N 1 2 348.834 1.555 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000291280519 443754406 /nfs/dbraw/zinc/75/44/06/443754406.db2.gz LWADTSHQUHJFLV-GOSISDBHSA-N 1 2 334.464 1.609 20 30 EDEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCn1cnc(C#N)n1 ZINC000287905154 443759896 /nfs/dbraw/zinc/75/98/96/443759896.db2.gz PRRBKUMBMPSWLH-CYBMUJFWSA-N 1 2 342.407 1.303 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)n1 ZINC000280869670 443762726 /nfs/dbraw/zinc/76/27/26/443762726.db2.gz WNQYVCIHJVRJQP-GOSISDBHSA-N 1 2 344.459 1.508 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)n1 ZINC000280869670 443762727 /nfs/dbraw/zinc/76/27/27/443762727.db2.gz WNQYVCIHJVRJQP-GOSISDBHSA-N 1 2 344.459 1.508 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000288189151 443799259 /nfs/dbraw/zinc/79/92/59/443799259.db2.gz SQVUJUQXCGLPIF-HNNXBMFYSA-N 1 2 325.416 1.266 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000288189151 443799266 /nfs/dbraw/zinc/79/92/66/443799266.db2.gz SQVUJUQXCGLPIF-HNNXBMFYSA-N 1 2 325.416 1.266 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000284515074 443777919 /nfs/dbraw/zinc/77/79/19/443777919.db2.gz FJNCCYZYCLSBJB-CVEARBPZSA-N 1 2 327.388 1.826 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000284515074 443777923 /nfs/dbraw/zinc/77/79/23/443777923.db2.gz FJNCCYZYCLSBJB-CVEARBPZSA-N 1 2 327.388 1.826 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN([C@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]21 ZINC000284971514 443803448 /nfs/dbraw/zinc/80/34/48/443803448.db2.gz XSRCJFOMIJHAGO-SOUVJXGZSA-N 1 2 346.456 1.130 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN([C@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]21 ZINC000284971514 443803452 /nfs/dbraw/zinc/80/34/52/443803452.db2.gz XSRCJFOMIJHAGO-SOUVJXGZSA-N 1 2 346.456 1.130 20 30 EDEDLO CN1CCO[C@@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]21 ZINC000284971514 443803456 /nfs/dbraw/zinc/80/34/56/443803456.db2.gz XSRCJFOMIJHAGO-SOUVJXGZSA-N 1 2 346.456 1.130 20 30 EDEDLO CN1CCO[C@@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@@H]21 ZINC000284971514 443803461 /nfs/dbraw/zinc/80/34/61/443803461.db2.gz XSRCJFOMIJHAGO-SOUVJXGZSA-N 1 2 346.456 1.130 20 30 EDEDLO N#C[C@H](C(=O)C[N@H+]1CCCC[C@H]1CO)c1nc2ccccc2c(=O)[nH]1 ZINC000298756469 443859863 /nfs/dbraw/zinc/85/98/63/443859863.db2.gz OSRHCLWTXPDOHY-GXTWGEPZSA-N 1 2 340.383 1.358 20 30 EDEDLO N#C[C@H](C(=O)C[N@@H+]1CCCC[C@H]1CO)c1nc2ccccc2c(=O)[nH]1 ZINC000298756469 443859865 /nfs/dbraw/zinc/85/98/65/443859865.db2.gz OSRHCLWTXPDOHY-GXTWGEPZSA-N 1 2 340.383 1.358 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000298787002 443868414 /nfs/dbraw/zinc/86/84/14/443868414.db2.gz WAWGKXVUCUVQAU-MRXNPFEDSA-N 1 2 344.459 1.547 20 30 EDEDLO CC#CC[N@H+](C)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000293079716 443919877 /nfs/dbraw/zinc/91/98/77/443919877.db2.gz JODLVNPXVNFZBJ-UHFFFAOYSA-N 1 2 328.416 1.318 20 30 EDEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000293079716 443919879 /nfs/dbraw/zinc/91/98/79/443919879.db2.gz JODLVNPXVNFZBJ-UHFFFAOYSA-N 1 2 328.416 1.318 20 30 EDEDLO CCc1ccc(C#CC(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cc1 ZINC000293082513 443920671 /nfs/dbraw/zinc/92/06/71/443920671.db2.gz ABRSCPZYAAVKNZ-MRXNPFEDSA-N 1 2 342.439 1.696 20 30 EDEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000285507736 444010512 /nfs/dbraw/zinc/01/05/12/444010512.db2.gz FSUTYIYWWJWHGA-CQSZACIVSA-N 1 2 325.409 1.553 20 30 EDEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000285507736 444010516 /nfs/dbraw/zinc/01/05/16/444010516.db2.gz FSUTYIYWWJWHGA-CQSZACIVSA-N 1 2 325.409 1.553 20 30 EDEDLO C#CCO[C@H](C)C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000294872204 444152996 /nfs/dbraw/zinc/15/29/96/444152996.db2.gz GXANDUDGWBWMBO-OAHLLOKOSA-N 1 2 346.427 1.386 20 30 EDEDLO C#Cc1ccc(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000295360039 444180470 /nfs/dbraw/zinc/18/04/70/444180470.db2.gz FRRDWCFVXVLJRO-UHFFFAOYSA-N 1 2 334.423 1.501 20 30 EDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](CO)C(C)(C)C ZINC000289634094 444183941 /nfs/dbraw/zinc/18/39/41/444183941.db2.gz BTJDBAYLGGAIAG-ZDUSSCGKSA-N 1 2 325.434 1.066 20 30 EDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](CO)C(C)(C)C ZINC000289634094 444183943 /nfs/dbraw/zinc/18/39/43/444183943.db2.gz BTJDBAYLGGAIAG-ZDUSSCGKSA-N 1 2 325.434 1.066 20 30 EDEDLO CCCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000302838657 444226793 /nfs/dbraw/zinc/22/67/93/444226793.db2.gz SPHBUDZWTITHCO-HOCLYGCPSA-N 1 2 341.477 1.084 20 30 EDEDLO CCCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000302838657 444226794 /nfs/dbraw/zinc/22/67/94/444226794.db2.gz SPHBUDZWTITHCO-HOCLYGCPSA-N 1 2 341.477 1.084 20 30 EDEDLO COC(=O)[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@H]1C ZINC000330993694 444350620 /nfs/dbraw/zinc/35/06/20/444350620.db2.gz BTCGIBGGUAXELW-ZIAGYGMSSA-N 1 2 341.452 1.142 20 30 EDEDLO COC(=O)[C@@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@H]1C ZINC000330993694 444350623 /nfs/dbraw/zinc/35/06/23/444350623.db2.gz BTCGIBGGUAXELW-ZIAGYGMSSA-N 1 2 341.452 1.142 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000330993622 444350693 /nfs/dbraw/zinc/35/06/93/444350693.db2.gz NTHIOYUXOMFESH-UHFFFAOYSA-N 1 2 335.452 1.261 20 30 EDEDLO O=C(Nc1nncs1)C1CCN(C([O-])=[NH+]CCn2cc[nH+]c2)CC1 ZINC000328793534 444354710 /nfs/dbraw/zinc/35/47/10/444354710.db2.gz RZPQCFYZSUJEEI-UHFFFAOYSA-N 1 2 349.420 1.649 20 30 EDEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000325251849 444362666 /nfs/dbraw/zinc/36/26/66/444362666.db2.gz KZVSZXLTHBWRCA-JKSUJKDBSA-N 1 2 332.400 1.716 20 30 EDEDLO CCOC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000325251849 444362667 /nfs/dbraw/zinc/36/26/67/444362667.db2.gz KZVSZXLTHBWRCA-JKSUJKDBSA-N 1 2 332.400 1.716 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C[C@@H]21 ZINC000328850936 444374025 /nfs/dbraw/zinc/37/40/25/444374025.db2.gz BPWKGDRRGYWIMS-RBZJEDDUSA-N 1 2 335.448 1.263 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C[C@@H]21 ZINC000328850936 444374030 /nfs/dbraw/zinc/37/40/30/444374030.db2.gz BPWKGDRRGYWIMS-RBZJEDDUSA-N 1 2 335.448 1.263 20 30 EDEDLO CCn1cnnc1C1CC[NH+]([C@H](C)C(=O)Nc2ncccn2)CC1 ZINC000328919520 444403059 /nfs/dbraw/zinc/40/30/59/444403059.db2.gz SNNVDABSCKKBSW-GFCCVEGCSA-N 1 2 329.408 1.944 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000328920252 444403665 /nfs/dbraw/zinc/40/36/65/444403665.db2.gz BVUBJLZDMAEECM-LPWJVIDDSA-N 1 2 344.415 1.787 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000328920252 444403670 /nfs/dbraw/zinc/40/36/70/444403670.db2.gz BVUBJLZDMAEECM-LPWJVIDDSA-N 1 2 344.415 1.787 20 30 EDEDLO [O-]C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000328677283 444426351 /nfs/dbraw/zinc/42/63/51/444426351.db2.gz AMWBLOBRIYMMSH-OFQRWUPVSA-N 1 2 348.447 1.269 20 30 EDEDLO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000328677283 444426355 /nfs/dbraw/zinc/42/63/55/444426355.db2.gz AMWBLOBRIYMMSH-OFQRWUPVSA-N 1 2 348.447 1.269 20 30 EDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000298022283 444389475 /nfs/dbraw/zinc/38/94/75/444389475.db2.gz DKADCFOPERZNPW-CQSZACIVSA-N 1 2 345.418 1.386 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000298022283 444389478 /nfs/dbraw/zinc/38/94/78/444389478.db2.gz DKADCFOPERZNPW-CQSZACIVSA-N 1 2 345.418 1.386 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000328906894 444396518 /nfs/dbraw/zinc/39/65/18/444396518.db2.gz BTSRJGRNRRXKRK-KFWWJZLASA-N 1 2 327.469 1.804 20 30 EDEDLO CCNC(=O)N(C)c1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000331175845 444431523 /nfs/dbraw/zinc/43/15/23/444431523.db2.gz FGQRGLMGJBGUBV-OAHLLOKOSA-N 1 2 349.435 1.713 20 30 EDEDLO CCNC(=O)N(C)c1cccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000331175845 444431527 /nfs/dbraw/zinc/43/15/27/444431527.db2.gz FGQRGLMGJBGUBV-OAHLLOKOSA-N 1 2 349.435 1.713 20 30 EDEDLO CCNC(=O)C[NH+]1CCN(Cc2c(C)nc3sc(C)nn23)CC1 ZINC000329005201 444442892 /nfs/dbraw/zinc/44/28/92/444442892.db2.gz MMBIQSMMAIAVJS-UHFFFAOYSA-N 1 2 336.465 1.502 20 30 EDEDLO Cc1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)nn1CCC#N ZINC000331613659 444480038 /nfs/dbraw/zinc/48/00/38/444480038.db2.gz CWZOPLAKCQFJBW-UHFFFAOYSA-N 1 2 327.392 2.240 20 30 EDEDLO Cc1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)nn1CCC#N ZINC000331613659 444480039 /nfs/dbraw/zinc/48/00/39/444480039.db2.gz CWZOPLAKCQFJBW-UHFFFAOYSA-N 1 2 327.392 2.240 20 30 EDEDLO O=C(C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)Nc1nccs1 ZINC000329140019 444482363 /nfs/dbraw/zinc/48/23/63/444482363.db2.gz STKFBSRMCYPHPN-HNNXBMFYSA-N 1 2 338.433 1.180 20 30 EDEDLO O=C(C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)Nc1nccs1 ZINC000329140019 444482364 /nfs/dbraw/zinc/48/23/64/444482364.db2.gz STKFBSRMCYPHPN-HNNXBMFYSA-N 1 2 338.433 1.180 20 30 EDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000331689341 444482453 /nfs/dbraw/zinc/48/24/53/444482453.db2.gz SXEHXUMWTVHWQR-GOEBONIOSA-N 1 2 332.473 1.674 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c(C#N)c1C ZINC000581294565 322159797 /nfs/dbraw/zinc/15/97/97/322159797.db2.gz SLQPAOHSODTUTH-LBPRGKRZSA-N 1 2 334.445 1.728 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c(C#N)c1C ZINC000581294565 322159799 /nfs/dbraw/zinc/15/97/99/322159799.db2.gz SLQPAOHSODTUTH-LBPRGKRZSA-N 1 2 334.445 1.728 20 30 EDEDLO N#Cc1ccsc1NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000338069697 444507534 /nfs/dbraw/zinc/50/75/34/444507534.db2.gz TVJSDSMASLTYDR-UHFFFAOYSA-N 1 2 325.353 1.522 20 30 EDEDLO CN(C)c1ccc(CNC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)c[nH+]1 ZINC000329280461 444519948 /nfs/dbraw/zinc/51/99/48/444519948.db2.gz MVZLUIRHEARUEQ-HUUCEWRRSA-N 1 2 334.420 1.441 20 30 EDEDLO N#Cc1cc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)ccn1 ZINC000342136941 444527661 /nfs/dbraw/zinc/52/76/61/444527661.db2.gz MZQLJWRSOCVQLZ-UHFFFAOYSA-N 1 2 341.459 1.512 20 30 EDEDLO Cc1c(C#N)cccc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000338204799 444561912 /nfs/dbraw/zinc/56/19/12/444561912.db2.gz GPNUZGDPQNUMSL-QGZVFWFLSA-N 1 2 343.427 1.430 20 30 EDEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)nn1 ZINC000338234901 444578413 /nfs/dbraw/zinc/57/84/13/444578413.db2.gz JCVAFTFCWVWDQR-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)NCC1(O)CCC1 ZINC000329440607 444581016 /nfs/dbraw/zinc/58/10/16/444581016.db2.gz MWUUWPVKTJWCDQ-ZDUSSCGKSA-N 1 2 339.461 1.540 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2CO)c1C ZINC000343720845 444544504 /nfs/dbraw/zinc/54/45/04/444544504.db2.gz BGIPEHFMKORKCS-MRXNPFEDSA-N 1 2 347.484 1.960 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2CO)c1C ZINC000343720845 444544507 /nfs/dbraw/zinc/54/45/07/444544507.db2.gz BGIPEHFMKORKCS-MRXNPFEDSA-N 1 2 347.484 1.960 20 30 EDEDLO CC[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)C(=O)N1CCOCC1 ZINC000329367787 444551746 /nfs/dbraw/zinc/55/17/46/444551746.db2.gz JAHCGDVTGCCMIE-OLZOCXBDSA-N 1 2 329.466 1.018 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCc4cncnc4C3)C2=O)cc1 ZINC000329466465 444591010 /nfs/dbraw/zinc/59/10/10/444591010.db2.gz VYKHMORPXKNBKS-SFHVURJKSA-N 1 2 333.395 1.902 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCc4cncnc4C3)C2=O)cc1 ZINC000329466465 444591013 /nfs/dbraw/zinc/59/10/13/444591013.db2.gz VYKHMORPXKNBKS-SFHVURJKSA-N 1 2 333.395 1.902 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@]3(CCCOC3)C2)nc1 ZINC000343803689 444601184 /nfs/dbraw/zinc/60/11/84/444601184.db2.gz BPZFYAUINMQZOP-QGZVFWFLSA-N 1 2 349.456 1.620 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@]3(CCCOC3)C2)nc1 ZINC000343803689 444601186 /nfs/dbraw/zinc/60/11/86/444601186.db2.gz BPZFYAUINMQZOP-QGZVFWFLSA-N 1 2 349.456 1.620 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338278344 444607360 /nfs/dbraw/zinc/60/73/60/444607360.db2.gz HQXARZXYLSNXOF-IEBWSBKVSA-N 1 2 345.439 1.835 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338278344 444607365 /nfs/dbraw/zinc/60/73/65/444607365.db2.gz HQXARZXYLSNXOF-IEBWSBKVSA-N 1 2 345.439 1.835 20 30 EDEDLO O=C(CN1CCN(Cc2[nH]cc[nH+]2)CC1)NC(=O)NC1CCCCC1 ZINC000329511507 444609541 /nfs/dbraw/zinc/60/95/41/444609541.db2.gz NDCDOTRRVOWLKW-UHFFFAOYSA-N 1 2 348.451 1.731 20 30 EDEDLO CCC1(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCOCC1 ZINC000329544758 444622649 /nfs/dbraw/zinc/62/26/49/444622649.db2.gz GGJHMTJIPSDUDQ-INIZCTEOSA-N 1 2 339.480 1.904 20 30 EDEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000329633339 444657970 /nfs/dbraw/zinc/65/79/70/444657970.db2.gz WRBBSIQECPOUEM-YHUYYLMFSA-N 1 2 325.453 1.509 20 30 EDEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329633339 444657972 /nfs/dbraw/zinc/65/79/72/444657972.db2.gz WRBBSIQECPOUEM-YHUYYLMFSA-N 1 2 325.453 1.509 20 30 EDEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329633339 444657977 /nfs/dbraw/zinc/65/79/77/444657977.db2.gz WRBBSIQECPOUEM-YHUYYLMFSA-N 1 2 325.453 1.509 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000333060168 444635271 /nfs/dbraw/zinc/63/52/71/444635271.db2.gz AYZPXHRVYVBNRB-GOSISDBHSA-N 1 2 332.448 1.131 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000333060168 444635275 /nfs/dbraw/zinc/63/52/75/444635275.db2.gz AYZPXHRVYVBNRB-GOSISDBHSA-N 1 2 332.448 1.131 20 30 EDEDLO O=S1(=O)C[C@H](NC([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc21 ZINC000329743113 444699327 /nfs/dbraw/zinc/69/93/27/444699327.db2.gz PWHPCTRFEDKYOQ-HZMBPMFUSA-N 1 2 346.412 1.299 20 30 EDEDLO O=S1(=O)C[C@H](NC([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc21 ZINC000329743113 444699328 /nfs/dbraw/zinc/69/93/28/444699328.db2.gz PWHPCTRFEDKYOQ-HZMBPMFUSA-N 1 2 346.412 1.299 20 30 EDEDLO CC(C)(C)n1cnc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000329761720 444706987 /nfs/dbraw/zinc/70/69/87/444706987.db2.gz RUJFUZAWWSAKPN-LBPRGKRZSA-N 1 2 329.408 2.033 20 30 EDEDLO C=CCCCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000342476349 444707622 /nfs/dbraw/zinc/70/76/22/444707622.db2.gz HGMWTTQWXOJTBM-INIZCTEOSA-N 1 2 329.444 1.802 20 30 EDEDLO C=CCCCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000342476349 444707627 /nfs/dbraw/zinc/70/76/27/444707627.db2.gz HGMWTTQWXOJTBM-INIZCTEOSA-N 1 2 329.444 1.802 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CC[NH+](C2CCCC2)CC1 ZINC000329765736 444708606 /nfs/dbraw/zinc/70/86/06/444708606.db2.gz XGPVVNSKBDOMQD-OAHLLOKOSA-N 1 2 343.493 1.428 20 30 EDEDLO CCN1CC[NH+](C[C@H](C)CNC([O-])=[NH+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC000329808174 444724633 /nfs/dbraw/zinc/72/46/33/444724633.db2.gz ANMYKOSJSUUUHV-ZBFHGGJFSA-N 1 2 348.495 1.044 20 30 EDEDLO CC1(C)CCCC[C@@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329809135 444725328 /nfs/dbraw/zinc/72/53/28/444725328.db2.gz PWWDDKMNGCXJRL-HNNXBMFYSA-N 1 2 349.479 2.510 20 30 EDEDLO Cc1c(C(=O)NCC[N@H+]2CCOC[C@H]2C)nnn1CC1CCCC1 ZINC000329875480 444748891 /nfs/dbraw/zinc/74/88/91/444748891.db2.gz GPURIJFVDDIHMP-CYBMUJFWSA-N 1 2 335.452 1.802 20 30 EDEDLO Cc1c(C(=O)NCC[N@@H+]2CCOC[C@H]2C)nnn1CC1CCCC1 ZINC000329875480 444748894 /nfs/dbraw/zinc/74/88/94/444748894.db2.gz GPURIJFVDDIHMP-CYBMUJFWSA-N 1 2 335.452 1.802 20 30 EDEDLO Cc1c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)nnn1CC1CCCC1 ZINC000329875481 444749032 /nfs/dbraw/zinc/74/90/32/444749032.db2.gz GPURIJFVDDIHMP-ZDUSSCGKSA-N 1 2 335.452 1.802 20 30 EDEDLO Cc1c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)nnn1CC1CCCC1 ZINC000329875481 444749037 /nfs/dbraw/zinc/74/90/37/444749037.db2.gz GPURIJFVDDIHMP-ZDUSSCGKSA-N 1 2 335.452 1.802 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCO[C@@]3(CCOC3)C1)CCC2 ZINC000329885480 444752946 /nfs/dbraw/zinc/75/29/46/444752946.db2.gz USNRBCFPKMERGM-YOEHRIQHSA-N 1 2 334.420 1.474 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc([S@@](C)=O)c(F)c3)C[C@H]21 ZINC000329954337 444784411 /nfs/dbraw/zinc/78/44/11/444784411.db2.gz JXWDOIIEJLWNNX-NSCUQIJASA-N 1 2 341.408 1.123 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc([S@@](C)=O)c(F)c3)C[C@H]21 ZINC000329954337 444784415 /nfs/dbraw/zinc/78/44/15/444784415.db2.gz JXWDOIIEJLWNNX-NSCUQIJASA-N 1 2 341.408 1.123 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)NC(=O)CS4)C[C@H]21 ZINC000329915535 444767018 /nfs/dbraw/zinc/76/70/18/444767018.db2.gz DDNPJXMBXGAHRY-OLZOCXBDSA-N 1 2 348.428 1.941 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)NC(=O)CS4)C[C@H]21 ZINC000329915535 444767022 /nfs/dbraw/zinc/76/70/22/444767022.db2.gz DDNPJXMBXGAHRY-OLZOCXBDSA-N 1 2 348.428 1.941 20 30 EDEDLO COc1cc(OC)c(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1F ZINC000329931910 444774978 /nfs/dbraw/zinc/77/49/78/444774978.db2.gz PFULPMNNXHZZQK-WFASDCNBSA-N 1 2 339.367 1.403 20 30 EDEDLO COc1cc(OC)c(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1F ZINC000329931910 444774981 /nfs/dbraw/zinc/77/49/81/444774981.db2.gz PFULPMNNXHZZQK-WFASDCNBSA-N 1 2 339.367 1.403 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000330029466 444817189 /nfs/dbraw/zinc/81/71/89/444817189.db2.gz QATWEJDCYRLMAF-UHFFFAOYSA-N 1 2 337.464 1.702 20 30 EDEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1(C)C ZINC000329965558 444790427 /nfs/dbraw/zinc/79/04/27/444790427.db2.gz RFYGUEQIDDERJH-CBBWQLFWSA-N 1 2 349.479 1.682 20 30 EDEDLO C[C@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)[C@@H]1CCCOC1 ZINC000329967736 444791569 /nfs/dbraw/zinc/79/15/69/444791569.db2.gz SRCSVIMGSCLHLR-ZNMIVQPWSA-N 1 2 335.452 1.438 20 30 EDEDLO C[C@H](CN1CCOCC1)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000330075012 444834837 /nfs/dbraw/zinc/83/48/37/444834837.db2.gz GAYMKMUKVDJMCB-GDBMZVCRSA-N 1 2 325.453 1.307 20 30 EDEDLO C[C@H](CN1CCOCC1)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000330075012 444834840 /nfs/dbraw/zinc/83/48/40/444834840.db2.gz GAYMKMUKVDJMCB-GDBMZVCRSA-N 1 2 325.453 1.307 20 30 EDEDLO CCO[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)[C@@]12CCCO2 ZINC000330177187 444874054 /nfs/dbraw/zinc/87/40/54/444874054.db2.gz CVMPNXUPSSVVIY-OEUWWYETSA-N 1 2 334.420 1.428 20 30 EDEDLO CCO[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@@]12CCCO2 ZINC000330177187 444874057 /nfs/dbraw/zinc/87/40/57/444874057.db2.gz CVMPNXUPSSVVIY-OEUWWYETSA-N 1 2 334.420 1.428 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000330194692 444881885 /nfs/dbraw/zinc/88/18/85/444881885.db2.gz OWBVUPCLYLGENM-LBPRGKRZSA-N 1 2 331.401 1.173 20 30 EDEDLO N#Cc1cccc(-n2ccc(C(=O)N[C@H]3CCn4cc[nH+]c4C3)n2)c1 ZINC000336984378 444888015 /nfs/dbraw/zinc/88/80/15/444888015.db2.gz CIGFNHYZBHPYLO-AWEZNQCLSA-N 1 2 332.367 1.685 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000330206828 444888570 /nfs/dbraw/zinc/88/85/70/444888570.db2.gz FNRSHHBVIPBOAG-NUEKZKHPSA-N 1 2 335.448 1.619 20 30 EDEDLO COc1ccc(C[NH+]2CCN(C(=O)CO)CC2)cc1OCCCC#N ZINC000342853164 444893762 /nfs/dbraw/zinc/89/37/62/444893762.db2.gz MXRKTPPYYUFFHQ-UHFFFAOYSA-N 1 2 347.415 1.014 20 30 EDEDLO Cc1cn2cc(NC(=O)N3CC[C@H](C)S(=O)(=O)CC3)ccc2[nH+]1 ZINC000330255688 444909605 /nfs/dbraw/zinc/90/96/05/444909605.db2.gz PSJHWDFAYMAMJI-LBPRGKRZSA-N 1 2 336.417 1.697 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3OCCN(C)[C@H]3C2)cc1OC ZINC000330346245 444946175 /nfs/dbraw/zinc/94/61/75/444946175.db2.gz GGSBCUQKGHWJOG-RVSPLBMKSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3OCCN(C)[C@H]3C2)cc1OC ZINC000330346245 444946178 /nfs/dbraw/zinc/94/61/78/444946178.db2.gz GGSBCUQKGHWJOG-RVSPLBMKSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1OC ZINC000330346245 444946185 /nfs/dbraw/zinc/94/61/85/444946185.db2.gz GGSBCUQKGHWJOG-RVSPLBMKSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1OC ZINC000330346245 444946190 /nfs/dbraw/zinc/94/61/90/444946190.db2.gz GGSBCUQKGHWJOG-RVSPLBMKSA-N 1 2 349.431 1.695 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000341688398 444948266 /nfs/dbraw/zinc/94/82/66/444948266.db2.gz FEXQBYSRMBWQBE-QGZVFWFLSA-N 1 2 342.443 1.958 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)Cc3ccccc3C)CC2)C1=O ZINC000337144088 444960839 /nfs/dbraw/zinc/96/08/39/444960839.db2.gz WFDGCNCIGKURTK-GOSISDBHSA-N 1 2 341.455 1.469 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(NC(C)=O)c2)C1=O ZINC000337158242 444967446 /nfs/dbraw/zinc/96/74/46/444967446.db2.gz QNKSGRASNXAMNX-MRXNPFEDSA-N 1 2 344.415 1.302 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(NC(C)=O)c2)C1=O ZINC000337158242 444967449 /nfs/dbraw/zinc/96/74/49/444967449.db2.gz QNKSGRASNXAMNX-MRXNPFEDSA-N 1 2 344.415 1.302 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)nn2C(C)(C)C)C1=O ZINC000337219298 444991150 /nfs/dbraw/zinc/99/11/50/444991150.db2.gz JRADKOCWPSVNIZ-AWEZNQCLSA-N 1 2 347.463 1.604 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C)nn2C(C)(C)C)C1=O ZINC000337219298 444991154 /nfs/dbraw/zinc/99/11/54/444991154.db2.gz JRADKOCWPSVNIZ-AWEZNQCLSA-N 1 2 347.463 1.604 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000337426975 445075028 /nfs/dbraw/zinc/07/50/28/445075028.db2.gz XFVAXNOQEXKXLB-MRXNPFEDSA-N 1 2 349.456 1.074 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000337426975 445075031 /nfs/dbraw/zinc/07/50/31/445075031.db2.gz XFVAXNOQEXKXLB-MRXNPFEDSA-N 1 2 349.456 1.074 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000330577441 445043680 /nfs/dbraw/zinc/04/36/80/445043680.db2.gz OYLLJHNOCMWPIX-DFGXFYAUSA-N 1 2 337.464 1.293 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000330577441 445043683 /nfs/dbraw/zinc/04/36/83/445043683.db2.gz OYLLJHNOCMWPIX-DFGXFYAUSA-N 1 2 337.464 1.293 20 30 EDEDLO CC[N@H+](CC(=O)N1CCN(CC#N)CC1)Cc1ccccc1Cl ZINC000339281509 445130585 /nfs/dbraw/zinc/13/05/85/445130585.db2.gz QQDXYILVWVOFGG-UHFFFAOYSA-N 1 2 334.851 1.830 20 30 EDEDLO CC[N@@H+](CC(=O)N1CCN(CC#N)CC1)Cc1ccccc1Cl ZINC000339281509 445130590 /nfs/dbraw/zinc/13/05/90/445130590.db2.gz QQDXYILVWVOFGG-UHFFFAOYSA-N 1 2 334.851 1.830 20 30 EDEDLO C[C@H](C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)n1cnc(C#N)n1 ZINC000337566662 445140522 /nfs/dbraw/zinc/14/05/22/445140522.db2.gz BNJYRKMMDHPSIK-BXUZGUMPSA-N 1 2 328.351 1.023 20 30 EDEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)[nH]1 ZINC000330724388 445113612 /nfs/dbraw/zinc/11/36/12/445113612.db2.gz GUKLZKLTORZNPF-QEORTHHSSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)[nH]1 ZINC000330724388 445113617 /nfs/dbraw/zinc/11/36/17/445113617.db2.gz GUKLZKLTORZNPF-QEORTHHSSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)n1 ZINC000330724388 445113620 /nfs/dbraw/zinc/11/36/20/445113620.db2.gz GUKLZKLTORZNPF-QEORTHHSSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)n1 ZINC000330724388 445113625 /nfs/dbraw/zinc/11/36/25/445113625.db2.gz GUKLZKLTORZNPF-QEORTHHSSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)n[nH]1 ZINC000330724388 445113629 /nfs/dbraw/zinc/11/36/29/445113629.db2.gz GUKLZKLTORZNPF-QEORTHHSSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)n[nH]1 ZINC000330724388 445113632 /nfs/dbraw/zinc/11/36/32/445113632.db2.gz GUKLZKLTORZNPF-QEORTHHSSA-N 1 2 332.452 1.736 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330732719 445116750 /nfs/dbraw/zinc/11/67/50/445116750.db2.gz JSEPRRJISVLPLF-AWEZNQCLSA-N 1 2 331.420 1.529 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330732719 445116754 /nfs/dbraw/zinc/11/67/54/445116754.db2.gz JSEPRRJISVLPLF-AWEZNQCLSA-N 1 2 331.420 1.529 20 30 EDEDLO CN(C[C@@H](O)C(F)(F)F)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330854257 445167456 /nfs/dbraw/zinc/16/74/56/445167456.db2.gz OUCPNJUYEMFEIW-LLVKDONJSA-N 1 2 334.342 1.531 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000339643775 445156870 /nfs/dbraw/zinc/15/68/70/445156870.db2.gz BEFHENOLTUGLFX-QGZVFWFLSA-N 1 2 345.443 1.038 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000339643775 445156874 /nfs/dbraw/zinc/15/68/74/445156874.db2.gz BEFHENOLTUGLFX-QGZVFWFLSA-N 1 2 345.443 1.038 20 30 EDEDLO COc1cccc(F)c1[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330934326 445197284 /nfs/dbraw/zinc/19/72/84/445197284.db2.gz IDDUTEQKUHVOCR-STQMWFEESA-N 1 2 338.427 1.645 20 30 EDEDLO COc1cccc(F)c1[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330934326 445197286 /nfs/dbraw/zinc/19/72/86/445197286.db2.gz IDDUTEQKUHVOCR-STQMWFEESA-N 1 2 338.427 1.645 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000330942782 445198403 /nfs/dbraw/zinc/19/84/03/445198403.db2.gz HAAKKNIBFXYTQW-MWLCHTKSSA-N 1 2 326.347 1.500 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000330942782 445198405 /nfs/dbraw/zinc/19/84/05/445198405.db2.gz HAAKKNIBFXYTQW-MWLCHTKSSA-N 1 2 326.347 1.500 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)cc1 ZINC000347946619 445257224 /nfs/dbraw/zinc/25/72/24/445257224.db2.gz CWKZYUZLPVMYLQ-AWEZNQCLSA-N 1 2 348.428 1.755 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cn1C ZINC000348223589 445320821 /nfs/dbraw/zinc/32/08/21/445320821.db2.gz UPLAQVKRBIZCHF-UHFFFAOYSA-N 1 2 339.399 1.401 20 30 EDEDLO CCCNC(=O)NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362615341 445464746 /nfs/dbraw/zinc/46/47/46/445464746.db2.gz JDYRLTBVUNDCNT-UHFFFAOYSA-N 1 2 326.400 1.883 20 30 EDEDLO CCCNC(=O)NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362615341 445464749 /nfs/dbraw/zinc/46/47/49/445464749.db2.gz JDYRLTBVUNDCNT-UHFFFAOYSA-N 1 2 326.400 1.883 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000352314808 445519966 /nfs/dbraw/zinc/51/99/66/445519966.db2.gz LKNWFDGUOKHJKV-GJZGRUSLSA-N 1 2 330.432 1.638 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000352776173 445554000 /nfs/dbraw/zinc/55/40/00/445554000.db2.gz QNZXAHOXAVDJJB-IYOUNJFTSA-N 1 2 333.432 1.639 20 30 EDEDLO NS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000357391062 445555704 /nfs/dbraw/zinc/55/57/04/445555704.db2.gz OWEBAVQIMXEMLP-CYBMUJFWSA-N 1 2 348.346 1.300 20 30 EDEDLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000357391062 445555709 /nfs/dbraw/zinc/55/57/09/445555709.db2.gz OWEBAVQIMXEMLP-CYBMUJFWSA-N 1 2 348.346 1.300 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[N@@H+]1CCOC ZINC000352935784 445565991 /nfs/dbraw/zinc/56/59/91/445565991.db2.gz IVIGCZRYUREIGZ-HNNXBMFYSA-N 1 2 343.493 1.443 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[N@H+]1CCOC ZINC000352935784 445565997 /nfs/dbraw/zinc/56/59/97/445565997.db2.gz IVIGCZRYUREIGZ-HNNXBMFYSA-N 1 2 343.493 1.443 20 30 EDEDLO CCN1CCN(S(=O)(=O)CC2(C#N)CCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000349506623 445600331 /nfs/dbraw/zinc/60/03/31/445600331.db2.gz CQPDJCNXWQBUFE-CYBMUJFWSA-N 1 2 337.449 1.112 20 30 EDEDLO C=CCCOCCNC(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000363159127 445701269 /nfs/dbraw/zinc/70/12/69/445701269.db2.gz KGHZOHAPDZHBQQ-UHFFFAOYSA-N 1 2 349.479 1.713 20 30 EDEDLO C=CCCOCCNC(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000363159127 445701276 /nfs/dbraw/zinc/70/12/76/445701276.db2.gz KGHZOHAPDZHBQQ-UHFFFAOYSA-N 1 2 349.479 1.713 20 30 EDEDLO C=CCCOCCNC(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000363159127 445701278 /nfs/dbraw/zinc/70/12/78/445701278.db2.gz KGHZOHAPDZHBQQ-UHFFFAOYSA-N 1 2 349.479 1.713 20 30 EDEDLO CCOCc1nc([C@@H](C)NCc2c[nH+]c3ccc(C#N)cn23)no1 ZINC000356284474 445717764 /nfs/dbraw/zinc/71/77/64/445717764.db2.gz PNFWCUPYDOCZRQ-LLVKDONJSA-N 1 2 326.360 1.976 20 30 EDEDLO N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000356495402 445822569 /nfs/dbraw/zinc/82/25/69/445822569.db2.gz DUZHRWXLGIGDQC-OAHLLOKOSA-N 1 2 337.383 1.131 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(F)(C#N)CC1 ZINC000356495969 445822734 /nfs/dbraw/zinc/82/27/34/445822734.db2.gz DMAAESOGLNPELV-AWEZNQCLSA-N 1 2 349.410 1.337 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(F)(C#N)CC1 ZINC000356495969 445822741 /nfs/dbraw/zinc/82/27/41/445822741.db2.gz DMAAESOGLNPELV-AWEZNQCLSA-N 1 2 349.410 1.337 20 30 EDEDLO Cn1c[nH+]c2c1CCN(S(=O)(=O)c1ccc(Cl)cc1C#N)C2 ZINC000363505809 445835944 /nfs/dbraw/zinc/83/59/44/445835944.db2.gz BBIPHYHXHPDMGS-UHFFFAOYSA-N 1 2 336.804 1.692 20 30 EDEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)CCc1c[nH+]cn1C ZINC000356529106 445842867 /nfs/dbraw/zinc/84/28/67/445842867.db2.gz CGJHKLULHNGDIK-UHFFFAOYSA-N 1 2 326.400 1.900 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000372883079 445902730 /nfs/dbraw/zinc/90/27/30/445902730.db2.gz RLVNSYWROHZWJF-CQSZACIVSA-N 1 2 345.428 1.330 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000372883079 445902735 /nfs/dbraw/zinc/90/27/35/445902735.db2.gz RLVNSYWROHZWJF-CQSZACIVSA-N 1 2 345.428 1.330 20 30 EDEDLO CC#CCCNC(=O)[C@H]1CCC(=O)N(CCC)[C@@H]1c1c[nH+]cn1C ZINC000356711798 445957043 /nfs/dbraw/zinc/95/70/43/445957043.db2.gz VJYPEBLHUNJXRG-YOEHRIQHSA-N 1 2 330.432 1.639 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000364921829 445968570 /nfs/dbraw/zinc/96/85/70/445968570.db2.gz XOJRPEVCJDKTBH-QGZVFWFLSA-N 1 2 330.432 1.118 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCN(C3CCOCC3)C2=O)n1 ZINC000364921829 445968575 /nfs/dbraw/zinc/96/85/75/445968575.db2.gz XOJRPEVCJDKTBH-QGZVFWFLSA-N 1 2 330.432 1.118 20 30 EDEDLO Cn1cc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000369217333 445999139 /nfs/dbraw/zinc/99/91/39/445999139.db2.gz XYDFVIFNAWQQMX-MRXNPFEDSA-N 1 2 344.440 1.578 20 30 EDEDLO Cn1cc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000369217333 445999141 /nfs/dbraw/zinc/99/91/41/445999141.db2.gz XYDFVIFNAWQQMX-MRXNPFEDSA-N 1 2 344.440 1.578 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000369301999 446057685 /nfs/dbraw/zinc/05/76/85/446057685.db2.gz GTFUAMFOLCCLSA-MDZRGWNJSA-N 1 2 349.475 1.940 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000369301999 446057694 /nfs/dbraw/zinc/05/76/94/446057694.db2.gz GTFUAMFOLCCLSA-MDZRGWNJSA-N 1 2 349.475 1.940 20 30 EDEDLO CCCCCCCCOCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000369628763 446137899 /nfs/dbraw/zinc/13/78/99/446137899.db2.gz HUFUHDSJNAYYTQ-UHFFFAOYSA-N 1 2 341.496 1.644 20 30 EDEDLO CCCCCCCCOCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000369628763 446137906 /nfs/dbraw/zinc/13/79/06/446137906.db2.gz HUFUHDSJNAYYTQ-UHFFFAOYSA-N 1 2 341.496 1.644 20 30 EDEDLO CN(C[C@H]1CCn2cc[nH+]c2C1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000369348023 446091532 /nfs/dbraw/zinc/09/15/32/446091532.db2.gz GSBSCVLZCGUFQU-LBPRGKRZSA-N 1 2 348.403 1.777 20 30 EDEDLO N#Cc1cnn(-c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)c1N ZINC000354400380 446177859 /nfs/dbraw/zinc/17/78/59/446177859.db2.gz ZTEMDEPNDKTPJD-UHFFFAOYSA-N 1 2 335.371 1.343 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000369808691 446156918 /nfs/dbraw/zinc/15/69/18/446156918.db2.gz MOQNYGQWNCUECI-UHFFFAOYSA-N 1 2 331.416 1.145 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000369808691 446156923 /nfs/dbraw/zinc/15/69/23/446156923.db2.gz MOQNYGQWNCUECI-UHFFFAOYSA-N 1 2 331.416 1.145 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)NCc1ccc(C#N)cc1)CCO2 ZINC000365548798 446249634 /nfs/dbraw/zinc/24/96/34/446249634.db2.gz AGASHYQRCXYSKP-RDTXWAMCSA-N 1 2 329.400 1.054 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CCO2 ZINC000365548798 446249638 /nfs/dbraw/zinc/24/96/38/446249638.db2.gz AGASHYQRCXYSKP-RDTXWAMCSA-N 1 2 329.400 1.054 20 30 EDEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc4n3CCOC4)CC2)cc1 ZINC000366662974 446299500 /nfs/dbraw/zinc/29/95/00/446299500.db2.gz FYYKIZIHBUSJAA-UHFFFAOYSA-N 1 2 339.399 1.723 20 30 EDEDLO C#CCCNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000366805901 446359928 /nfs/dbraw/zinc/35/99/28/446359928.db2.gz RLDUURGFWRYHDX-UHFFFAOYSA-N 1 2 334.379 1.680 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)c(Cl)n1 ZINC000376170226 446365471 /nfs/dbraw/zinc/36/54/71/446365471.db2.gz BQQQHSWEYWXERJ-YPMHNXCESA-N 1 2 334.807 1.542 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374384930 446366961 /nfs/dbraw/zinc/36/69/61/446366961.db2.gz CPGFHYMAYRYCMG-MRXNPFEDSA-N 1 2 335.363 1.335 20 30 EDEDLO Cc1cn2c([nH+]1)CN(C(=O)c1ccn(-c3cccc(C#N)c3)n1)CC2 ZINC000366956150 446427020 /nfs/dbraw/zinc/42/70/20/446427020.db2.gz STHVCIURDOUAJR-UHFFFAOYSA-N 1 2 332.367 1.905 20 30 EDEDLO C=CCNc1ncc(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)s1 ZINC000370924985 446525354 /nfs/dbraw/zinc/52/53/54/446525354.db2.gz QZPPPYWXOMJYGV-GFCCVEGCSA-N 1 2 331.445 2.553 20 30 EDEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376593926 446595866 /nfs/dbraw/zinc/59/58/66/446595866.db2.gz BILKXWOOMCWDMX-CYBMUJFWSA-N 1 2 329.404 1.173 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000368082344 446629376 /nfs/dbraw/zinc/62/93/76/446629376.db2.gz VLGDGZYTEBFBLP-INIZCTEOSA-N 1 2 343.818 1.971 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000368082344 446629379 /nfs/dbraw/zinc/62/93/79/446629379.db2.gz VLGDGZYTEBFBLP-INIZCTEOSA-N 1 2 343.818 1.971 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376949987 446816997 /nfs/dbraw/zinc/81/69/97/446816997.db2.gz QFZWMVKRLHVNGO-CVEARBPZSA-N 1 2 337.464 1.028 20 30 EDEDLO C#CCCCCC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000371436822 446854660 /nfs/dbraw/zinc/85/46/60/446854660.db2.gz BYNZGXYRNYRMSN-UHFFFAOYSA-N 1 2 331.460 1.921 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+](CCOc2cccc(C#N)c2)[C@H]1C(=O)OC ZINC000441648171 446871274 /nfs/dbraw/zinc/87/12/74/446871274.db2.gz PENJCMGPURZYBZ-HZPDHXFCSA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)[C@H]1C(=O)OC ZINC000441648171 446871282 /nfs/dbraw/zinc/87/12/82/446871282.db2.gz PENJCMGPURZYBZ-HZPDHXFCSA-N 1 2 346.383 1.364 20 30 EDEDLO N#Cc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1O ZINC000442641910 446919494 /nfs/dbraw/zinc/91/94/94/446919494.db2.gz DQBPTMBLEJUHFZ-UHFFFAOYSA-N 1 2 341.371 1.045 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443111515 447005118 /nfs/dbraw/zinc/00/51/18/447005118.db2.gz QRQLLOULVPAHRY-JTQLQIEISA-N 1 2 335.345 1.030 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000372530071 447114503 /nfs/dbraw/zinc/11/45/03/447114503.db2.gz XVYCMNLPXUFIOA-UHFFFAOYSA-N 1 2 330.413 1.612 20 30 EDEDLO Cc1cc(C)c(NC(=O)NCCCc2[nH]nc(N)c2C#N)c(C)[nH+]1 ZINC000455488306 447143405 /nfs/dbraw/zinc/14/34/05/447143405.db2.gz UOXCBDWJYHOXNM-UHFFFAOYSA-N 1 2 327.392 1.938 20 30 EDEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(c2noc(C3CC3)n2)CC1)C1CC1 ZINC000368833013 447143751 /nfs/dbraw/zinc/14/37/51/447143751.db2.gz GKZRYWWDUFKXFV-GOSISDBHSA-N 1 2 343.431 1.935 20 30 EDEDLO CC1(C)CCCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H]1C#N ZINC000444734481 447132337 /nfs/dbraw/zinc/13/23/37/447132337.db2.gz YJOISCUJKTVHQI-KRWDZBQOSA-N 1 2 344.459 1.938 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H]2c2[nH]cc[nH+]2)nc1 ZINC000377503349 447168539 /nfs/dbraw/zinc/16/85/39/447168539.db2.gz CLLZHCXMATWKFZ-ZDUSSCGKSA-N 1 2 331.401 1.287 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000446081312 447229663 /nfs/dbraw/zinc/22/96/63/447229663.db2.gz NHALFQRJIKJXOS-WCXIOVBPSA-N 1 2 336.480 1.176 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000446081312 447229667 /nfs/dbraw/zinc/22/96/67/447229667.db2.gz NHALFQRJIKJXOS-WCXIOVBPSA-N 1 2 336.480 1.176 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010105 447261390 /nfs/dbraw/zinc/26/13/90/447261390.db2.gz NJEVJCVPHZWADN-XJKSGUPXSA-N 1 2 348.407 1.483 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010105 447261396 /nfs/dbraw/zinc/26/13/96/447261396.db2.gz NJEVJCVPHZWADN-XJKSGUPXSA-N 1 2 348.407 1.483 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000369030366 447276384 /nfs/dbraw/zinc/27/63/84/447276384.db2.gz WCAHDDXWPIVRFS-NUJGCVRESA-N 1 2 341.411 1.448 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000369030366 447276389 /nfs/dbraw/zinc/27/63/89/447276389.db2.gz WCAHDDXWPIVRFS-NUJGCVRESA-N 1 2 341.411 1.448 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)c(Cl)c1 ZINC000414149806 447278382 /nfs/dbraw/zinc/27/83/82/447278382.db2.gz VEBCMQMNQSUVCM-GFCCVEGCSA-N 1 2 326.780 1.712 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)c(Cl)c1 ZINC000414149806 447278390 /nfs/dbraw/zinc/27/83/90/447278390.db2.gz VEBCMQMNQSUVCM-GFCCVEGCSA-N 1 2 326.780 1.712 20 30 EDEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCC[NH+]1CCOCC1 ZINC000416398599 447592361 /nfs/dbraw/zinc/59/23/61/447592361.db2.gz MZKNURFMKSQVLK-KRWDZBQOSA-N 1 2 328.416 1.567 20 30 EDEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000495640079 447538401 /nfs/dbraw/zinc/53/84/01/447538401.db2.gz KOZHLZGIJXIINW-OAHLLOKOSA-N 1 2 336.436 1.540 20 30 EDEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000495640079 447538404 /nfs/dbraw/zinc/53/84/04/447538404.db2.gz KOZHLZGIJXIINW-OAHLLOKOSA-N 1 2 336.436 1.540 20 30 EDEDLO CC(C)C[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)[NH+]1CCOCC1 ZINC000451013976 447649945 /nfs/dbraw/zinc/64/99/45/447649945.db2.gz GXPHMJQEVZBCGJ-HNNXBMFYSA-N 1 2 343.493 1.347 20 30 EDEDLO N#CCc1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000451129426 447695930 /nfs/dbraw/zinc/69/59/30/447695930.db2.gz ISCXYJJZUBAFJN-UHFFFAOYSA-N 1 2 339.848 1.875 20 30 EDEDLO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cccc(F)c3C#N)C2)nn1 ZINC000428437275 447700868 /nfs/dbraw/zinc/70/08/68/447700868.db2.gz RTFBXGPFBFMHMZ-ZDUSSCGKSA-N 1 2 343.362 1.913 20 30 EDEDLO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cccc(F)c3C#N)C2)nn1 ZINC000428437275 447700870 /nfs/dbraw/zinc/70/08/70/447700870.db2.gz RTFBXGPFBFMHMZ-ZDUSSCGKSA-N 1 2 343.362 1.913 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C#N)CC1(C)C ZINC000427885069 447666687 /nfs/dbraw/zinc/66/66/87/447666687.db2.gz HWUAVOKFSZWOMS-GUYCJALGSA-N 1 2 331.420 1.292 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C#N)CC1(C)C ZINC000427885069 447666694 /nfs/dbraw/zinc/66/66/94/447666694.db2.gz HWUAVOKFSZWOMS-GUYCJALGSA-N 1 2 331.420 1.292 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C#N)CC1(C)C ZINC000427885065 447666777 /nfs/dbraw/zinc/66/67/77/447666777.db2.gz HWUAVOKFSZWOMS-CXAGYDPISA-N 1 2 331.420 1.292 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C#N)CC1(C)C ZINC000427885065 447666785 /nfs/dbraw/zinc/66/67/85/447666785.db2.gz HWUAVOKFSZWOMS-CXAGYDPISA-N 1 2 331.420 1.292 20 30 EDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000459464416 447675446 /nfs/dbraw/zinc/67/54/46/447675446.db2.gz MGBYFHVIHXLHRT-IINYFYTJSA-N 1 2 336.342 1.301 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000478919679 447821927 /nfs/dbraw/zinc/82/19/27/447821927.db2.gz AXTIHGSKASGFNK-KRWDZBQOSA-N 1 2 343.427 1.430 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H]2CCCCO2)CC1 ZINC000491164377 447944546 /nfs/dbraw/zinc/94/45/46/447944546.db2.gz BAAUMTQIHKGZAE-MRXNPFEDSA-N 1 2 331.464 1.726 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCCO2)CC1 ZINC000491200504 447952597 /nfs/dbraw/zinc/95/25/97/447952597.db2.gz ADOOSOFWTGXYNT-KRWDZBQOSA-N 1 2 345.491 1.801 20 30 EDEDLO C=CCOCCC[N@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000497173511 447922600 /nfs/dbraw/zinc/92/26/00/447922600.db2.gz UURWTQZWPBDYMX-CABCVRRESA-N 1 2 326.437 1.899 20 30 EDEDLO C=CCOCCC[N@@H+]1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000497173511 447922606 /nfs/dbraw/zinc/92/26/06/447922606.db2.gz UURWTQZWPBDYMX-CABCVRRESA-N 1 2 326.437 1.899 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000491314039 447990855 /nfs/dbraw/zinc/99/08/55/447990855.db2.gz CIVNBLBNNSEJEO-INIZCTEOSA-N 1 2 343.427 1.375 20 30 EDEDLO COc1ncc[nH+]c1NNC1=CC(=O)N(C(=O)OC(C)(C)C)[C@H]1C ZINC000496854371 447972232 /nfs/dbraw/zinc/97/22/32/447972232.db2.gz MYXPPLBSEZEFTG-VIFPVBQESA-N 1 2 335.364 1.809 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000491474805 448036231 /nfs/dbraw/zinc/03/62/31/448036231.db2.gz QCFXEASSOOGMME-MRXNPFEDSA-N 1 2 345.443 1.561 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)(C)C ZINC000491496835 448045370 /nfs/dbraw/zinc/04/53/70/448045370.db2.gz UBSZCFZQGRZRPG-CVEARBPZSA-N 1 2 348.491 1.372 20 30 EDEDLO C#CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491682161 448080823 /nfs/dbraw/zinc/08/08/23/448080823.db2.gz PYVDPFNDACKUEN-CQSZACIVSA-N 1 2 344.477 1.366 20 30 EDEDLO C#CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000491682161 448080831 /nfs/dbraw/zinc/08/08/31/448080831.db2.gz PYVDPFNDACKUEN-CQSZACIVSA-N 1 2 344.477 1.366 20 30 EDEDLO C#CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491682160 448081380 /nfs/dbraw/zinc/08/13/80/448081380.db2.gz PYVDPFNDACKUEN-AWEZNQCLSA-N 1 2 344.477 1.366 20 30 EDEDLO C#CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000491682160 448081385 /nfs/dbraw/zinc/08/13/85/448081385.db2.gz PYVDPFNDACKUEN-AWEZNQCLSA-N 1 2 344.477 1.366 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(F)ccc2Cl)CC1 ZINC000526083207 448096213 /nfs/dbraw/zinc/09/62/13/448096213.db2.gz NBLHQUYOFKVMES-UHFFFAOYSA-N 1 2 325.815 1.899 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c(C#N)c1C ZINC000496984312 448096796 /nfs/dbraw/zinc/09/67/96/448096796.db2.gz SQSCNTYJTMEBPK-CYBMUJFWSA-N 1 2 346.387 1.481 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c(C#N)c1C ZINC000496984312 448096800 /nfs/dbraw/zinc/09/68/00/448096800.db2.gz SQSCNTYJTMEBPK-CYBMUJFWSA-N 1 2 346.387 1.481 20 30 EDEDLO C#C[C@H](CC)NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000491777075 448117493 /nfs/dbraw/zinc/11/74/93/448117493.db2.gz HGMBNRAJKUHFKS-QGZVFWFLSA-N 1 2 345.443 1.609 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](CCn3cc(Cl)cn3)CC2)c1C#N ZINC000571619483 448180354 /nfs/dbraw/zinc/18/03/54/448180354.db2.gz LBVHERUOQGURAY-UHFFFAOYSA-N 1 2 333.827 1.272 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H](C)OC3(CCC3)C2)CC1 ZINC000571638642 448184415 /nfs/dbraw/zinc/18/44/15/448184415.db2.gz LCBLXEXSYLYPAH-DLBZAZTESA-N 1 2 348.491 1.322 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)OC3(CCC3)C2)CC1 ZINC000571638642 448184418 /nfs/dbraw/zinc/18/44/18/448184418.db2.gz LCBLXEXSYLYPAH-DLBZAZTESA-N 1 2 348.491 1.322 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000558899897 448204142 /nfs/dbraw/zinc/20/41/42/448204142.db2.gz YEBZEUOAWSHQCC-GOSISDBHSA-N 1 2 328.416 1.383 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1nc(-c2cccs2)no1 ZINC000577273231 448252367 /nfs/dbraw/zinc/25/23/67/448252367.db2.gz ULLHNNSYUUIATF-OAHLLOKOSA-N 1 2 333.417 1.691 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000563362392 448296647 /nfs/dbraw/zinc/29/66/47/448296647.db2.gz BWDUGZNGGITZIH-SJORKVTESA-N 1 2 348.491 1.514 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000563363885 448298219 /nfs/dbraw/zinc/29/82/19/448298219.db2.gz DHOMODKZZSEQTE-LLVKDONJSA-N 1 2 332.360 1.388 20 30 EDEDLO N#CC1(CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000565334752 448365748 /nfs/dbraw/zinc/36/57/48/448365748.db2.gz FIJFYYBTOVINLS-OAHLLOKOSA-N 1 2 343.431 1.437 20 30 EDEDLO N#CC1(CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000565334752 448365756 /nfs/dbraw/zinc/36/57/56/448365756.db2.gz FIJFYYBTOVINLS-OAHLLOKOSA-N 1 2 343.431 1.437 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1C#N ZINC000535207833 448490672 /nfs/dbraw/zinc/49/06/72/448490672.db2.gz TWVPFYTZGKJYHZ-AWEZNQCLSA-N 1 2 342.399 1.334 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1C#N ZINC000535207833 448490679 /nfs/dbraw/zinc/49/06/79/448490679.db2.gz TWVPFYTZGKJYHZ-AWEZNQCLSA-N 1 2 342.399 1.334 20 30 EDEDLO Cc1cccn2cc(CCNC(=O)N3CC[C@](O)(CC#N)C3)[nH+]c12 ZINC000591973223 448606208 /nfs/dbraw/zinc/60/62/08/448606208.db2.gz VCZLGGQXGKTZHT-QGZVFWFLSA-N 1 2 327.388 1.245 20 30 EDEDLO CCc1cc(=O)n(C[C@H](O)C[N@H+](C)CCC#N)nc1-c1ccccc1 ZINC000584840173 448651421 /nfs/dbraw/zinc/65/14/21/448651421.db2.gz PAGXLRWHTNWWBY-QGZVFWFLSA-N 1 2 340.427 1.679 20 30 EDEDLO CCc1cc(=O)n(C[C@H](O)C[N@@H+](C)CCC#N)nc1-c1ccccc1 ZINC000584840173 448651426 /nfs/dbraw/zinc/65/14/26/448651426.db2.gz PAGXLRWHTNWWBY-QGZVFWFLSA-N 1 2 340.427 1.679 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccncc2C#N)CCN1c1nccn2cnnc12 ZINC000592082623 448669262 /nfs/dbraw/zinc/66/92/62/448669262.db2.gz NKAMNEVFRXXJFV-ZDUSSCGKSA-N 1 2 334.387 1.102 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccncc2C#N)CCN1c1nccn2cnnc12 ZINC000592082623 448669268 /nfs/dbraw/zinc/66/92/68/448669268.db2.gz NKAMNEVFRXXJFV-ZDUSSCGKSA-N 1 2 334.387 1.102 20 30 EDEDLO Cc1cc(N2CCOCC2)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000573439656 448627879 /nfs/dbraw/zinc/62/78/79/448627879.db2.gz YBLQTWCEUFKJMW-KRWDZBQOSA-N 1 2 332.448 1.450 20 30 EDEDLO Cc1cc(N2CCOCC2)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000573439656 448627884 /nfs/dbraw/zinc/62/78/84/448627884.db2.gz YBLQTWCEUFKJMW-KRWDZBQOSA-N 1 2 332.448 1.450 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000592147963 448707216 /nfs/dbraw/zinc/70/72/16/448707216.db2.gz UVBWROMRCCSOHA-AWEZNQCLSA-N 1 2 327.306 1.994 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000592147963 448707221 /nfs/dbraw/zinc/70/72/21/448707221.db2.gz UVBWROMRCCSOHA-AWEZNQCLSA-N 1 2 327.306 1.994 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148543 448708613 /nfs/dbraw/zinc/70/86/13/448708613.db2.gz WMAJDUUUCYINKO-ZBEGNZNMSA-N 1 2 339.342 1.965 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148543 448708618 /nfs/dbraw/zinc/70/86/18/448708618.db2.gz WMAJDUUUCYINKO-ZBEGNZNMSA-N 1 2 339.342 1.965 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000592148213 448708824 /nfs/dbraw/zinc/70/88/24/448708824.db2.gz RZAYTTIFLPNADX-INIZCTEOSA-N 1 2 337.807 1.185 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000592148213 448708826 /nfs/dbraw/zinc/70/88/26/448708826.db2.gz RZAYTTIFLPNADX-INIZCTEOSA-N 1 2 337.807 1.185 20 30 EDEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150484 448711886 /nfs/dbraw/zinc/71/18/86/448711886.db2.gz DJNRVGSRGIFQSN-BDJLRTHQSA-N 1 2 330.413 1.974 20 30 EDEDLO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150484 448711890 /nfs/dbraw/zinc/71/18/90/448711890.db2.gz DJNRVGSRGIFQSN-BDJLRTHQSA-N 1 2 330.413 1.974 20 30 EDEDLO N#Cc1cc(O)cc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000589189795 448984855 /nfs/dbraw/zinc/98/48/55/448984855.db2.gz MQPCRUHSDCMHQU-DLBZAZTESA-N 1 2 329.400 1.637 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1F ZINC000569565463 449043478 /nfs/dbraw/zinc/04/34/78/449043478.db2.gz ADGUIQQRGWVYSW-UHFFFAOYSA-N 1 2 342.378 1.448 20 30 EDEDLO C[C@@H]1CCCN(c2cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccn2)C1 ZINC000569609600 449057448 /nfs/dbraw/zinc/05/74/48/449057448.db2.gz UMKUXEGUHKFTRE-KDOFPFPSSA-N 1 2 329.448 1.892 20 30 EDEDLO C[C@H](CO)C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000593081684 449126382 /nfs/dbraw/zinc/12/63/82/449126382.db2.gz HEDMSROUXVEHRZ-CYBMUJFWSA-N 1 2 337.445 1.067 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1 ZINC000593659104 449134740 /nfs/dbraw/zinc/13/47/40/449134740.db2.gz ZTRCWCTUGPYLEZ-UHFFFAOYSA-N 1 2 337.445 1.290 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1 ZINC000593659104 449134741 /nfs/dbraw/zinc/13/47/41/449134741.db2.gz ZTRCWCTUGPYLEZ-UHFFFAOYSA-N 1 2 337.445 1.290 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnnn2-c2ccccc2)CC1 ZINC000590013281 449098069 /nfs/dbraw/zinc/09/80/69/449098069.db2.gz WCWXLUXIILKFBN-UHFFFAOYSA-N 1 2 345.410 1.856 20 30 EDEDLO CC1(C)C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CO1 ZINC000595667754 449108942 /nfs/dbraw/zinc/10/89/42/449108942.db2.gz XFIDGVHPVPHGML-QGZVFWFLSA-N 1 2 342.443 1.953 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cccc(F)c1C#N)C2 ZINC000593702984 449153417 /nfs/dbraw/zinc/15/34/17/449153417.db2.gz ZFBKDORMRRKEMB-GFCCVEGCSA-N 1 2 342.374 1.482 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC000593154499 449153999 /nfs/dbraw/zinc/15/39/99/449153999.db2.gz WYJMKKSPIOGYIS-SFHVURJKSA-N 1 2 342.374 1.550 20 30 EDEDLO CC(=O)N[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(C)cc1 ZINC000593155575 449154219 /nfs/dbraw/zinc/15/42/19/449154219.db2.gz FJZXVSRZQGMOJM-WMZOPIPTSA-N 1 2 330.432 1.522 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCn1c2ccccc2oc1=O ZINC000593155686 449154282 /nfs/dbraw/zinc/15/42/82/449154282.db2.gz SHWWKAFQHVYXNO-QGZVFWFLSA-N 1 2 330.388 1.335 20 30 EDEDLO C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174333 449201146 /nfs/dbraw/zinc/20/11/46/449201146.db2.gz HCSPOAHPZMXAKO-CQSZACIVSA-N 1 2 329.404 1.254 20 30 EDEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595842677 449201584 /nfs/dbraw/zinc/20/15/84/449201584.db2.gz YSKJKUGVSIFEJO-GOSISDBHSA-N 1 2 334.464 1.327 20 30 EDEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595842677 449201588 /nfs/dbraw/zinc/20/15/88/449201588.db2.gz YSKJKUGVSIFEJO-GOSISDBHSA-N 1 2 334.464 1.327 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601855771 449187269 /nfs/dbraw/zinc/18/72/69/449187269.db2.gz PMGUTPRUDXNYDB-UHFFFAOYSA-N 1 2 341.440 1.775 20 30 EDEDLO CN(Cc1ccccc1)C1C[NH+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000601957913 449245301 /nfs/dbraw/zinc/24/53/01/449245301.db2.gz KBPIWPLERNNFKE-IBGZPJMESA-N 1 2 343.471 1.874 20 30 EDEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H]2CCCCN(C)C2=O)c1C#N ZINC000601972468 449255469 /nfs/dbraw/zinc/25/54/69/449255469.db2.gz ZYDVMCZYNKQQJT-MRXNPFEDSA-N 1 2 329.400 1.788 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCCCN(C)C2=O)c1C#N ZINC000601972468 449255471 /nfs/dbraw/zinc/25/54/71/449255471.db2.gz ZYDVMCZYNKQQJT-MRXNPFEDSA-N 1 2 329.400 1.788 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000600231758 449255886 /nfs/dbraw/zinc/25/58/86/449255886.db2.gz GGZPXERQYQLVSK-OALUTQOASA-N 1 2 347.459 1.192 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000600231758 449255889 /nfs/dbraw/zinc/25/58/89/449255889.db2.gz GGZPXERQYQLVSK-OALUTQOASA-N 1 2 347.459 1.192 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000593405615 449268375 /nfs/dbraw/zinc/26/83/75/449268375.db2.gz XKRPUTQJQJIOFR-UHFFFAOYSA-N 1 2 340.468 1.307 20 30 EDEDLO Cc1nc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)ccc1C#N ZINC000590781630 449291980 /nfs/dbraw/zinc/29/19/80/449291980.db2.gz CACURZOZHJNFJQ-UHFFFAOYSA-N 1 2 349.394 1.332 20 30 EDEDLO COC[C@@]1(CO)CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000590763308 449283561 /nfs/dbraw/zinc/28/35/61/449283561.db2.gz NNCQDIPFZVFAKR-IBGZPJMESA-N 1 2 340.427 1.883 20 30 EDEDLO COC[C@@]1(CO)CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000590763308 449283565 /nfs/dbraw/zinc/28/35/65/449283565.db2.gz NNCQDIPFZVFAKR-IBGZPJMESA-N 1 2 340.427 1.883 20 30 EDEDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccsc2C#N)C[C@@H](C)O1 ZINC000593526883 449325703 /nfs/dbraw/zinc/32/57/03/449325703.db2.gz LJJDHLGZBAFIOU-VXGBXAGGSA-N 1 2 343.474 1.397 20 30 EDEDLO CN1CC[NH+]([C@H](CNC(=O)NCC(C)(C)C#N)c2cccs2)CC1 ZINC000611622954 449362584 /nfs/dbraw/zinc/36/25/84/449362584.db2.gz MMIZIIPRDHODGK-CQSZACIVSA-N 1 2 349.504 1.886 20 30 EDEDLO Cc1nsc(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c1C#N ZINC000602151737 449387045 /nfs/dbraw/zinc/38/70/45/449387045.db2.gz CCSAPOPJUCQJEV-VXGBXAGGSA-N 1 2 342.428 1.499 20 30 EDEDLO Cc1nsc(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c1C#N ZINC000602151737 449387047 /nfs/dbraw/zinc/38/70/47/449387047.db2.gz CCSAPOPJUCQJEV-VXGBXAGGSA-N 1 2 342.428 1.499 20 30 EDEDLO COC(=O)c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c(C#N)n1 ZINC000596248601 449438712 /nfs/dbraw/zinc/43/87/12/449438712.db2.gz ZPJNHTXTVOWHIE-CYBMUJFWSA-N 1 2 330.388 1.041 20 30 EDEDLO N#CCc1ccc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000612059134 449544638 /nfs/dbraw/zinc/54/46/38/449544638.db2.gz XYZIOXZTLVLDRA-UHFFFAOYSA-N 1 2 340.471 1.883 20 30 EDEDLO N#CCc1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000612059134 449544647 /nfs/dbraw/zinc/54/46/47/449544647.db2.gz XYZIOXZTLVLDRA-UHFFFAOYSA-N 1 2 340.471 1.883 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc2nccnc2c1 ZINC000602426193 449577645 /nfs/dbraw/zinc/57/76/45/449577645.db2.gz YZTCVNWQJGDMGW-UHFFFAOYSA-N 1 2 325.416 1.678 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612165358 449594953 /nfs/dbraw/zinc/59/49/53/449594953.db2.gz KLYLNTWBLUIILL-CRAIPNDOSA-N 1 2 332.400 1.839 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612165358 449594960 /nfs/dbraw/zinc/59/49/60/449594960.db2.gz KLYLNTWBLUIILL-CRAIPNDOSA-N 1 2 332.400 1.839 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596838049 449676881 /nfs/dbraw/zinc/67/68/81/449676881.db2.gz ITXAHGQJHNWONM-CHWSQXEVSA-N 1 2 332.404 1.798 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596838049 449676886 /nfs/dbraw/zinc/67/68/86/449676886.db2.gz ITXAHGQJHNWONM-CHWSQXEVSA-N 1 2 332.404 1.798 20 30 EDEDLO CC1(C)CO[C@@H](Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)C1 ZINC000601082952 449683692 /nfs/dbraw/zinc/68/36/92/449683692.db2.gz WKGSJXXRCLXRBL-MRXNPFEDSA-N 1 2 331.416 1.367 20 30 EDEDLO N#Cc1cccc(N2CC[NH+]([C@@H]3CCN(C4CCC4)C3=O)CC2)n1 ZINC000602811409 449826453 /nfs/dbraw/zinc/82/64/53/449826453.db2.gz QHQOQLUXIZPCLG-MRXNPFEDSA-N 1 2 325.416 1.229 20 30 EDEDLO COCc1ccc(CNC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602860013 449869039 /nfs/dbraw/zinc/86/90/39/449869039.db2.gz HRZHWIBVQMUCAU-IYBDPMFKSA-N 1 2 344.459 1.367 20 30 EDEDLO COCc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602860013 449869045 /nfs/dbraw/zinc/86/90/45/449869045.db2.gz HRZHWIBVQMUCAU-IYBDPMFKSA-N 1 2 344.459 1.367 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)C[C@@H](C)N1CC#N ZINC000602859871 449869429 /nfs/dbraw/zinc/86/94/29/449869429.db2.gz HDXCNUQWWGDXEY-BFYDXBDKSA-N 1 2 342.443 1.024 20 30 EDEDLO N#Cc1cc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)ncn1 ZINC000617952634 449948502 /nfs/dbraw/zinc/94/85/02/449948502.db2.gz FYIRMFQSTRLFIO-MRXNPFEDSA-N 1 2 343.818 1.857 20 30 EDEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599414847 449961132 /nfs/dbraw/zinc/96/11/32/449961132.db2.gz JVKLBQBBUUNGHC-FRRDWIJNSA-N 1 2 336.354 1.709 20 30 EDEDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599414847 449961140 /nfs/dbraw/zinc/96/11/40/449961140.db2.gz JVKLBQBBUUNGHC-FRRDWIJNSA-N 1 2 336.354 1.709 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000609139774 449967329 /nfs/dbraw/zinc/96/73/29/449967329.db2.gz WJWIBTOORUZADL-UHFFFAOYSA-N 1 2 339.403 1.155 20 30 EDEDLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)CCCCC#N ZINC000601451829 449974798 /nfs/dbraw/zinc/97/47/98/449974798.db2.gz AWVNMWRJCMUVFH-UONOGXRCSA-N 1 2 329.466 1.099 20 30 EDEDLO N#Cc1ccsc1NC(=O)CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599439540 449976255 /nfs/dbraw/zinc/97/62/55/449976255.db2.gz WFDFKFOATJUAOT-UHFFFAOYSA-N 1 2 330.417 1.099 20 30 EDEDLO C[N@H+](CC(=O)NCCOc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H]1C#N ZINC000602978721 449978092 /nfs/dbraw/zinc/97/80/92/449978092.db2.gz VUAZWANYYKFBAK-DZGCQCFKSA-N 1 2 345.399 1.534 20 30 EDEDLO C[N@@H+](CC(=O)NCCOc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H]1C#N ZINC000602978721 449978095 /nfs/dbraw/zinc/97/80/95/449978095.db2.gz VUAZWANYYKFBAK-DZGCQCFKSA-N 1 2 345.399 1.534 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599446204 449981305 /nfs/dbraw/zinc/98/13/05/449981305.db2.gz QNWLCOATUAYGCM-CYBMUJFWSA-N 1 2 332.404 1.308 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599446204 449981308 /nfs/dbraw/zinc/98/13/08/449981308.db2.gz QNWLCOATUAYGCM-CYBMUJFWSA-N 1 2 332.404 1.308 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000609486455 450037023 /nfs/dbraw/zinc/03/70/23/450037023.db2.gz KMXCABYFXICVIP-MRXNPFEDSA-N 1 2 346.500 1.799 20 30 EDEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000613130204 450039056 /nfs/dbraw/zinc/03/90/56/450039056.db2.gz ABHRICMECSBPAG-KGLIPLIRSA-N 1 2 331.313 1.931 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COC3CCOCC3)CC2)cc1 ZINC000609761232 450094622 /nfs/dbraw/zinc/09/46/22/450094622.db2.gz COIVYSNLUAYJGY-UHFFFAOYSA-N 1 2 343.427 1.398 20 30 EDEDLO N#Cc1cccnc1N1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000610025242 450130268 /nfs/dbraw/zinc/13/02/68/450130268.db2.gz CIQSFBAYMAQJIN-UHFFFAOYSA-N 1 2 347.382 1.955 20 30 EDEDLO C[C@H]([NH2+]Cc1nnnn1CC1CCOCC1)c1cccc(C#N)c1 ZINC000618302211 450125392 /nfs/dbraw/zinc/12/53/92/450125392.db2.gz CCYNNGJCUHTKKB-ZDUSSCGKSA-N 1 2 326.404 1.822 20 30 EDEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000599691809 450155668 /nfs/dbraw/zinc/15/56/68/450155668.db2.gz SQXFWAFDHDVLMR-MRXNPFEDSA-N 1 2 349.456 1.323 20 30 EDEDLO CC(=O)NC[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000599691809 450155674 /nfs/dbraw/zinc/15/56/74/450155674.db2.gz SQXFWAFDHDVLMR-MRXNPFEDSA-N 1 2 349.456 1.323 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000595522371 450205096 /nfs/dbraw/zinc/20/50/96/450205096.db2.gz ASOKXKMCUVPYPA-MRXNPFEDSA-N 1 2 326.404 1.588 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000595522371 450205100 /nfs/dbraw/zinc/20/51/00/450205100.db2.gz ASOKXKMCUVPYPA-MRXNPFEDSA-N 1 2 326.404 1.588 20 30 EDEDLO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(C#N)c1 ZINC000595538047 450216810 /nfs/dbraw/zinc/21/68/10/450216810.db2.gz GIEMIDPPPWHCAS-YOEHRIQHSA-N 1 2 328.416 1.735 20 30 EDEDLO N#Cc1csc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)n1 ZINC000595552397 450226622 /nfs/dbraw/zinc/22/66/22/450226622.db2.gz UXEGGPGWOVCYPS-UHFFFAOYSA-N 1 2 335.433 1.021 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3cnccc3C#N)CC2)C[C@H](C)O1 ZINC000595501936 450190425 /nfs/dbraw/zinc/19/04/25/450190425.db2.gz OBWQLDNBXGPYDE-IYBDPMFKSA-N 1 2 329.448 1.184 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000597683321 450194972 /nfs/dbraw/zinc/19/49/72/450194972.db2.gz CAYAFGSUJYFYPB-RRFJBIMHSA-N 1 2 337.383 1.470 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)n1 ZINC000610561610 450261428 /nfs/dbraw/zinc/26/14/28/450261428.db2.gz YWYUMUXKRQATGS-HNNXBMFYSA-N 1 2 349.398 2.131 20 30 EDEDLO N#CCc1ccccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000619572874 450508728 /nfs/dbraw/zinc/50/87/28/450508728.db2.gz XJGMJKMFZODHJG-HNNXBMFYSA-N 1 2 349.456 1.095 20 30 EDEDLO C=CC(C)(C)CCNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000623876860 450623008 /nfs/dbraw/zinc/62/30/08/450623008.db2.gz IFSDMAZGIPDEKP-AWEZNQCLSA-N 1 2 347.463 1.813 20 30 EDEDLO C=CC[C@H](CC)NC(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000626849870 450957117 /nfs/dbraw/zinc/95/71/17/450957117.db2.gz IVVQNBXLVIMGMP-NWANDNLSSA-N 1 2 334.420 1.179 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(c2ccccc2)C(C)C)nn1 ZINC000640754765 451552568 /nfs/dbraw/zinc/55/25/68/451552568.db2.gz MAYWSPQKDICVIX-UHFFFAOYSA-N 1 2 325.416 1.833 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2c(C)cccc2CC)nn1 ZINC000640794422 451586938 /nfs/dbraw/zinc/58/69/38/451586938.db2.gz JUGAYMITSSLCEC-UHFFFAOYSA-N 1 2 325.416 1.901 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)nn1 ZINC000640857842 451642998 /nfs/dbraw/zinc/64/29/98/451642998.db2.gz FEWRIPHAAURMDJ-AWEZNQCLSA-N 1 2 343.406 1.750 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2c(F)cccc2F)nn1 ZINC000640894501 451678836 /nfs/dbraw/zinc/67/88/36/451678836.db2.gz XTDYXQAGMVTHQA-NSHDSACASA-N 1 2 333.342 1.869 20 30 EDEDLO C=CCCNC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000665941117 452479061 /nfs/dbraw/zinc/47/90/61/452479061.db2.gz UBCRWXIJRHFPFB-SFHVURJKSA-N 1 2 333.432 1.125 20 30 EDEDLO C=CCCNC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000665941117 452479069 /nfs/dbraw/zinc/47/90/69/452479069.db2.gz UBCRWXIJRHFPFB-SFHVURJKSA-N 1 2 333.432 1.125 20 30 EDEDLO C=CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000654565909 452650230 /nfs/dbraw/zinc/65/02/30/452650230.db2.gz IKCZIFYQKVEZFJ-AWEZNQCLSA-N 1 2 333.413 1.458 20 30 EDEDLO C=CCCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000660292362 453180454 /nfs/dbraw/zinc/18/04/54/453180454.db2.gz HPBKRCOFWAHNDU-UHFFFAOYSA-N 1 2 330.432 1.965 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000665182954 453603392 /nfs/dbraw/zinc/60/33/92/453603392.db2.gz SWGHKZUOYLKCKX-MELADBBJSA-N 1 2 336.436 1.370 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000665480662 453712043 /nfs/dbraw/zinc/71/20/43/453712043.db2.gz YCGNWEBWNIOTPG-INIZCTEOSA-N 1 2 328.416 1.932 20 30 EDEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000661150140 453734608 /nfs/dbraw/zinc/73/46/08/453734608.db2.gz IOVVWKXYLYTROY-QZTJIDSGSA-N 1 2 327.428 1.929 20 30 EDEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000661150140 453734611 /nfs/dbraw/zinc/73/46/11/453734611.db2.gz IOVVWKXYLYTROY-QZTJIDSGSA-N 1 2 327.428 1.929 20 30 EDEDLO C=C(C)Cn1c(COC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000670195046 486658771 /nfs/dbraw/zinc/65/87/71/486658771.db2.gz VFQMJIRBNPWRCJ-UHFFFAOYSA-N 1 2 346.435 1.619 20 30 EDEDLO COCC#CCN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000677133023 486981949 /nfs/dbraw/zinc/98/19/49/486981949.db2.gz CUDBQBNGKUAJJK-SFHVURJKSA-N 1 2 327.428 1.059 20 30 EDEDLO COCC#CC[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000677133023 486981954 /nfs/dbraw/zinc/98/19/54/486981954.db2.gz CUDBQBNGKUAJJK-SFHVURJKSA-N 1 2 327.428 1.059 20 30 EDEDLO COCC#CC[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000677475536 487095426 /nfs/dbraw/zinc/09/54/26/487095426.db2.gz ARHVGCYYOXZQCE-UHFFFAOYSA-N 1 2 335.835 1.546 20 30 EDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1O ZINC000289892487 517931157 /nfs/dbraw/zinc/93/11/57/517931157.db2.gz MPEABIQPGDICHP-UHFFFAOYSA-N 1 2 331.397 1.565 20 30 EDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1O ZINC000289892487 517931174 /nfs/dbraw/zinc/93/11/74/517931174.db2.gz MPEABIQPGDICHP-UHFFFAOYSA-N 1 2 331.397 1.565 20 30 EDEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCOC[C@@H]3C#N)cn2c1 ZINC000176645937 534505810 /nfs/dbraw/zinc/50/58/10/534505810.db2.gz JWUSLEHYWPOKCE-AWEZNQCLSA-N 1 2 330.413 1.627 20 30 EDEDLO CN1CCO[C@@H]2C[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@@H]21 ZINC000130877658 536438185 /nfs/dbraw/zinc/43/81/85/536438185.db2.gz MEZIWNRTGUZTDJ-LSDHHAIUSA-N 1 2 325.372 1.123 20 30 EDEDLO CN1CCO[C@@H]2C[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@@H]21 ZINC000130877658 536438189 /nfs/dbraw/zinc/43/81/89/536438189.db2.gz MEZIWNRTGUZTDJ-LSDHHAIUSA-N 1 2 325.372 1.123 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@@H]21 ZINC000130877658 536438191 /nfs/dbraw/zinc/43/81/91/536438191.db2.gz MEZIWNRTGUZTDJ-LSDHHAIUSA-N 1 2 325.372 1.123 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@@H]21 ZINC000130877658 536438195 /nfs/dbraw/zinc/43/81/95/536438195.db2.gz MEZIWNRTGUZTDJ-LSDHHAIUSA-N 1 2 325.372 1.123 20 30 EDEDLO C[N@H+](Cc1ccc(Br)cc1C#N)[C@]1(CO)CCOC1 ZINC000346935090 536464168 /nfs/dbraw/zinc/46/41/68/536464168.db2.gz DJCWFSUBUNSGMQ-AWEZNQCLSA-N 1 2 325.206 1.904 20 30 EDEDLO C[N@@H+](Cc1ccc(Br)cc1C#N)[C@]1(CO)CCOC1 ZINC000346935090 536464171 /nfs/dbraw/zinc/46/41/71/536464171.db2.gz DJCWFSUBUNSGMQ-AWEZNQCLSA-N 1 2 325.206 1.904 20 30 EDEDLO C=CC1CC[NH+](Cc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)CC1 ZINC000111257666 526980040 /nfs/dbraw/zinc/98/00/40/526980040.db2.gz ZYPSYAROSIQONZ-UHFFFAOYSA-N 1 2 345.447 1.621 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000131266770 527448329 /nfs/dbraw/zinc/44/83/29/527448329.db2.gz NSSSEIZQTGKKEF-OAHLLOKOSA-N 1 2 336.395 1.524 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000101553448 527523522 /nfs/dbraw/zinc/52/35/22/527523522.db2.gz PVGUTAUBKGVDJF-JKSUJKDBSA-N 1 2 348.491 1.954 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000101553448 527523525 /nfs/dbraw/zinc/52/35/25/527523525.db2.gz PVGUTAUBKGVDJF-JKSUJKDBSA-N 1 2 348.491 1.954 20 30 EDEDLO CCCN(CC#N)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000159439223 527870703 /nfs/dbraw/zinc/87/07/03/527870703.db2.gz TVDSXDNFEACSBM-UHFFFAOYSA-N 1 2 343.431 1.273 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000088524257 528361083 /nfs/dbraw/zinc/36/10/83/528361083.db2.gz VXZHKORBJVSQEO-GOSISDBHSA-N 1 2 339.443 1.631 20 30 EDEDLO C[N@@H+](CC(=O)NCCC#N)C[C@@H](c1cccs1)N1CCOCC1 ZINC000729928279 578603777 /nfs/dbraw/zinc/60/37/77/578603777.db2.gz HNMUOOIXSPNAMR-AWEZNQCLSA-N 1 2 336.461 1.083 20 30 EDEDLO C[N@H+](CC(=O)NCCC#N)C[C@@H](c1cccs1)N1CCOCC1 ZINC000729928279 578603779 /nfs/dbraw/zinc/60/37/79/578603779.db2.gz HNMUOOIXSPNAMR-AWEZNQCLSA-N 1 2 336.461 1.083 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000730097240 578614148 /nfs/dbraw/zinc/61/41/48/578614148.db2.gz JVGOOANKAIWZDI-SFHVURJKSA-N 1 2 327.428 1.868 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000730097240 578614150 /nfs/dbraw/zinc/61/41/50/578614150.db2.gz JVGOOANKAIWZDI-SFHVURJKSA-N 1 2 327.428 1.868 20 30 EDEDLO N#Cc1cccc(N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)n1 ZINC000760793807 580038326 /nfs/dbraw/zinc/03/83/26/580038326.db2.gz PQPZSCZIZDUTEG-UHFFFAOYSA-N 1 2 332.367 1.563 20 30 EDEDLO C=CCN1CC(=O)N(Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1=O ZINC000761001383 580044113 /nfs/dbraw/zinc/04/41/13/580044113.db2.gz FBYRIEMYJPHYCZ-CYBMUJFWSA-N 1 2 330.388 1.257 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](Cn3cnc(-c4ccccc4)n3)CC2)c1 ZINC000735481183 578894027 /nfs/dbraw/zinc/89/40/27/578894027.db2.gz MGXHAWOSELENMJ-UHFFFAOYSA-N 1 2 345.410 1.991 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000739860211 579260931 /nfs/dbraw/zinc/26/09/31/579260931.db2.gz VJXBUIRRJODKBW-FPJCUDJDSA-N 1 2 343.456 1.924 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000739860211 579260932 /nfs/dbraw/zinc/26/09/32/579260932.db2.gz VJXBUIRRJODKBW-FPJCUDJDSA-N 1 2 343.456 1.924 20 30 EDEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCCCNC1=O ZINC000744393880 579509203 /nfs/dbraw/zinc/50/92/03/579509203.db2.gz UWVBQVQIILJYPP-AWEZNQCLSA-N 1 2 325.372 1.709 20 30 EDEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCCCNC1=O ZINC000744393880 579509205 /nfs/dbraw/zinc/50/92/05/579509205.db2.gz UWVBQVQIILJYPP-AWEZNQCLSA-N 1 2 325.372 1.709 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000744698473 579520449 /nfs/dbraw/zinc/52/04/49/579520449.db2.gz MFBMNHFJDJIFCS-GJZGRUSLSA-N 1 2 348.447 1.859 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000744698473 579520450 /nfs/dbraw/zinc/52/04/50/579520450.db2.gz MFBMNHFJDJIFCS-GJZGRUSLSA-N 1 2 348.447 1.859 20 30 EDEDLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000745079561 579536658 /nfs/dbraw/zinc/53/66/58/579536658.db2.gz NADALVLCLCWTES-INIZCTEOSA-N 1 2 329.400 1.961 20 30 EDEDLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000745079561 579536659 /nfs/dbraw/zinc/53/66/59/579536659.db2.gz NADALVLCLCWTES-INIZCTEOSA-N 1 2 329.400 1.961 20 30 EDEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000745103141 579538791 /nfs/dbraw/zinc/53/87/91/579538791.db2.gz COUUNNLVNRPNAM-RDJZCZTQSA-N 1 2 328.412 1.722 20 30 EDEDLO C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000745103141 579538793 /nfs/dbraw/zinc/53/87/93/579538793.db2.gz COUUNNLVNRPNAM-RDJZCZTQSA-N 1 2 328.412 1.722 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000749656484 579733582 /nfs/dbraw/zinc/73/35/82/579733582.db2.gz FHURYHPLYXLWOZ-UHFFFAOYSA-N 1 2 331.328 1.105 20 30 EDEDLO O=C(NCC#Cc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000749663064 579733938 /nfs/dbraw/zinc/73/39/38/579733938.db2.gz IBBJZKJBKFGAMF-UHFFFAOYSA-N 1 2 345.362 1.374 20 30 EDEDLO COc1cccc([C@@H](C#N)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1OC ZINC000750865081 579784645 /nfs/dbraw/zinc/78/46/45/579784645.db2.gz ZFXDFVBFIOGKRT-IUODEOHRSA-N 1 2 340.383 1.844 20 30 EDEDLO CSCC[C@H]([NH2+]CC(=O)NCCC#N)c1nnc2ccccn21 ZINC000778108061 580456427 /nfs/dbraw/zinc/45/64/27/580456427.db2.gz RADVCLUIOKPFIV-LBPRGKRZSA-N 1 2 332.433 1.143 20 30 EDEDLO NC(=[NH+]O[C@H]1CCN(C2CCOCC2)C1=O)c1ccc2c(c1)CCO2 ZINC000753822019 579888655 /nfs/dbraw/zinc/88/86/55/579888655.db2.gz GHKPCGCEPZOAEL-INIZCTEOSA-N 1 2 345.399 1.038 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)OCCCn2cc[nH+]c2)cc1 ZINC000763287254 580096976 /nfs/dbraw/zinc/09/69/76/580096976.db2.gz LBZAUCVWVUSDNJ-UHFFFAOYSA-N 1 2 349.412 1.595 20 30 EDEDLO C=CC[C@@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccncc1 ZINC000764407543 580119176 /nfs/dbraw/zinc/11/91/76/580119176.db2.gz OGMYBTRJAGHULX-QGZVFWFLSA-N 1 2 348.447 1.035 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)S1 ZINC000765489366 580143789 /nfs/dbraw/zinc/14/37/89/580143789.db2.gz LINSYOMZRDYUSY-LBPRGKRZSA-N 1 2 344.444 1.001 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCS[C@H]4COCC[C@H]43)c1=O)CCC2 ZINC000766631324 580170682 /nfs/dbraw/zinc/17/06/82/580170682.db2.gz FIBMGVHILSOAQF-CVEARBPZSA-N 1 2 331.441 1.372 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCS[C@H]4COCC[C@H]43)c1=O)CCC2 ZINC000766631324 580170683 /nfs/dbraw/zinc/17/06/83/580170683.db2.gz FIBMGVHILSOAQF-CVEARBPZSA-N 1 2 331.441 1.372 20 30 EDEDLO NC(=NOC[C@@H]1CCCOC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000769877452 580247588 /nfs/dbraw/zinc/24/75/88/580247588.db2.gz JWTWVQGJEKNBBQ-MRXNPFEDSA-N 1 2 333.432 1.582 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000773923570 580349439 /nfs/dbraw/zinc/34/94/39/580349439.db2.gz QPEREBWDCXRUNC-MRXNPFEDSA-N 1 2 341.411 1.717 20 30 EDEDLO CC(C)(C)NC(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000775718723 580398353 /nfs/dbraw/zinc/39/83/53/580398353.db2.gz HWNPMEBVMWKZPZ-MRXNPFEDSA-N 1 2 330.432 1.717 20 30 EDEDLO CC[C@@]1(CO)CCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000778327207 580462220 /nfs/dbraw/zinc/46/22/20/580462220.db2.gz UDLRREDVZJNPMO-LJQANCHMSA-N 1 2 340.427 1.905 20 30 EDEDLO CC[C@@]1(CO)CCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000778327207 580462221 /nfs/dbraw/zinc/46/22/21/580462221.db2.gz UDLRREDVZJNPMO-LJQANCHMSA-N 1 2 340.427 1.905 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000780091587 580512521 /nfs/dbraw/zinc/51/25/21/580512521.db2.gz HHAOKJXEXFZUBW-YOEHRIQHSA-N 1 2 331.416 1.841 20 30 EDEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]N[C@H]1CCCOC1 ZINC000780263404 580517188 /nfs/dbraw/zinc/51/71/88/580517188.db2.gz VNMZVTJLWCNNSS-LBPRGKRZSA-N 1 2 325.372 1.587 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)NCc3ccc(C#N)cn3)ccc2n1C ZINC000782131249 580567114 /nfs/dbraw/zinc/56/71/14/580567114.db2.gz VXIJFEZOHXVEFT-UHFFFAOYSA-N 1 2 348.366 1.403 20 30 EDEDLO C#CCOc1ccccc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000782972549 580589826 /nfs/dbraw/zinc/58/98/26/580589826.db2.gz WOCPYUJYLBCIGV-UHFFFAOYSA-N 1 2 326.356 1.029 20 30 EDEDLO Cn1nnc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)n1 ZINC000786893962 580683126 /nfs/dbraw/zinc/68/31/26/580683126.db2.gz QIEBBVXATDLQJZ-UHFFFAOYSA-N 1 2 338.371 1.626 20 30 EDEDLO CC(C)N(C)c1ccc(C=[NH+]NC(=S)NC[C@@H]2CCCO2)cn1 ZINC000790147838 580763381 /nfs/dbraw/zinc/76/33/81/580763381.db2.gz MEBLQVHPSSCUFS-AWEZNQCLSA-N 1 2 335.477 1.903 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOC[C@H]3CCO)C2=O)cc1 ZINC000790314279 580766640 /nfs/dbraw/zinc/76/66/40/580766640.db2.gz ANUMYLNXJBMRNQ-IAGOWNOFSA-N 1 2 329.400 1.137 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOC[C@H]3CCO)C2=O)cc1 ZINC000790314279 580766641 /nfs/dbraw/zinc/76/66/41/580766641.db2.gz ANUMYLNXJBMRNQ-IAGOWNOFSA-N 1 2 329.400 1.137 20 30 EDEDLO Cc1ccc(S(=O)(=O)NN=C2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000793098335 580835609 /nfs/dbraw/zinc/83/56/09/580835609.db2.gz SXTOMLKTSYGQSF-UHFFFAOYSA-N 1 2 338.389 1.263 20 30 EDEDLO Cn1cc(C[C@H]2CC[N@H+](Cn3nc(CC#N)n(C)c3=S)C2)cn1 ZINC000794637521 580901176 /nfs/dbraw/zinc/90/11/76/580901176.db2.gz UTYYFPIZDUSZNI-GFCCVEGCSA-N 1 2 331.449 1.273 20 30 EDEDLO Cn1cc(C[C@H]2CC[N@@H+](Cn3nc(CC#N)n(C)c3=S)C2)cn1 ZINC000794637521 580901177 /nfs/dbraw/zinc/90/11/77/580901177.db2.gz UTYYFPIZDUSZNI-GFCCVEGCSA-N 1 2 331.449 1.273 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCO[C@]4(CCCOC4)C3)c1=O)CCC2 ZINC000795633043 580931921 /nfs/dbraw/zinc/93/19/21/580931921.db2.gz SDIIRKWUODUAIU-GOSISDBHSA-N 1 2 329.400 1.048 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCO[C@]4(CCCOC4)C3)c1=O)CCC2 ZINC000795633043 580931922 /nfs/dbraw/zinc/93/19/22/580931922.db2.gz SDIIRKWUODUAIU-GOSISDBHSA-N 1 2 329.400 1.048 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(Br)c(=O)[nH]c2C)CC1 ZINC000796428983 580953652 /nfs/dbraw/zinc/95/36/52/580953652.db2.gz JRKWEYKSXVEIBB-UHFFFAOYSA-N 1 2 338.205 1.249 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000798364585 580995407 /nfs/dbraw/zinc/99/54/07/580995407.db2.gz NIDGJYHIRARWGB-QZTJIDSGSA-N 1 2 345.443 1.133 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@H](c3ccccc3F)CC2=O)C1=O ZINC000799141845 581018502 /nfs/dbraw/zinc/01/85/02/581018502.db2.gz CTVIHIGYQIWUGE-PBHICJAKSA-N 1 2 345.418 1.818 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@H](c3ccccc3F)CC2=O)C1=O ZINC000799141845 581018503 /nfs/dbraw/zinc/01/85/03/581018503.db2.gz CTVIHIGYQIWUGE-PBHICJAKSA-N 1 2 345.418 1.818 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)C1=O ZINC000799169127 581020783 /nfs/dbraw/zinc/02/07/83/581020783.db2.gz YXZDBBJQXPJFBA-SJORKVTESA-N 1 2 327.428 1.506 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)C1=O ZINC000799169127 581020784 /nfs/dbraw/zinc/02/07/84/581020784.db2.gz YXZDBBJQXPJFBA-SJORKVTESA-N 1 2 327.428 1.506 20 30 EDEDLO CC[C@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCCO1 ZINC000799200931 581022224 /nfs/dbraw/zinc/02/22/24/581022224.db2.gz OUBUUAXQNRSHIT-AWEZNQCLSA-N 1 2 326.400 1.921 20 30 EDEDLO CC[C@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCCO1 ZINC000799200931 581022225 /nfs/dbraw/zinc/02/22/25/581022225.db2.gz OUBUUAXQNRSHIT-AWEZNQCLSA-N 1 2 326.400 1.921 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)cn1 ZINC000801286037 581071303 /nfs/dbraw/zinc/07/13/03/581071303.db2.gz JRKBIJIBAMAXGW-CQSZACIVSA-N 1 2 336.399 1.061 20 30 EDEDLO C[C@@H](C#N)OCCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000801835371 581086082 /nfs/dbraw/zinc/08/60/82/581086082.db2.gz LGBFAYKAQWBIQB-WMLDXEAASA-N 1 2 332.400 1.656 20 30 EDEDLO COc1cccc(CC(=O)N2CC[NH+](CCO[C@H](C)C#N)CC2)c1 ZINC000801915733 581087893 /nfs/dbraw/zinc/08/78/93/581087893.db2.gz NHDIPQFBIHNEGK-OAHLLOKOSA-N 1 2 331.416 1.311 20 30 EDEDLO Cc1nn(-c2cccc(F)c2)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000890885958 590832655 /nfs/dbraw/zinc/83/26/55/590832655.db2.gz IAWIIIMHPYSRFC-KRWDZBQOSA-N 1 2 329.379 1.894 20 30 EDEDLO C#CCSCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000892692498 591133811 /nfs/dbraw/zinc/13/38/11/591133811.db2.gz WJDWDPURIFQLJY-SJORKVTESA-N 1 2 330.453 1.465 20 30 EDEDLO C#CCSCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000892692498 591133813 /nfs/dbraw/zinc/13/38/13/591133813.db2.gz WJDWDPURIFQLJY-SJORKVTESA-N 1 2 330.453 1.465 20 30 EDEDLO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000891771474 591218796 /nfs/dbraw/zinc/21/87/96/591218796.db2.gz YPPIWOLWKKZIFP-CYBMUJFWSA-N 1 2 341.429 1.585 20 30 EDEDLO C=CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000891771474 591218798 /nfs/dbraw/zinc/21/87/98/591218798.db2.gz YPPIWOLWKKZIFP-CYBMUJFWSA-N 1 2 341.429 1.585 20 30 EDEDLO COc1ccc(C[NH2+]Cc2nc(Br)nn2C)cc1C#N ZINC000894357799 591288364 /nfs/dbraw/zinc/28/83/64/591288364.db2.gz AEYBLSPXZOYEJY-UHFFFAOYSA-N 1 2 336.193 1.748 20 30 EDEDLO CC1(C)[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)CS1(=O)=O ZINC000895986169 591318863 /nfs/dbraw/zinc/31/88/63/591318863.db2.gz RXKVEFWSMBGUBP-LBPRGKRZSA-N 1 2 343.246 1.986 20 30 EDEDLO C=CCc1cc(C[NH+]2CCN(C(=O)CC#N)CC2)cc(OC)c1O ZINC000895065978 591560403 /nfs/dbraw/zinc/56/04/03/591560403.db2.gz LWKYHZNFZPYAMS-UHFFFAOYSA-N 1 2 329.400 1.687 20 30 EDEDLO CC(C)c1nc(N2CCC3(CC2)CC(=O)C=CO3)nc(N(C)C)[nH+]1 ZINC000896880861 591645499 /nfs/dbraw/zinc/64/54/99/591645499.db2.gz RDPCOUQHJANRRD-UHFFFAOYSA-N 1 2 331.420 1.903 20 30 EDEDLO CC(C)c1nc(N(C)C)nc(N2CCC3(CC2)CC(=O)C=CO3)[nH+]1 ZINC000896880861 591645501 /nfs/dbraw/zinc/64/55/01/591645501.db2.gz RDPCOUQHJANRRD-UHFFFAOYSA-N 1 2 331.420 1.903 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)/C=C(\C)C[NH+]2CCOCC2)c1 ZINC000900281220 591969598 /nfs/dbraw/zinc/96/95/98/591969598.db2.gz JHZWBQIYCYRSAL-RVDMUPIBSA-N 1 2 341.411 1.001 20 30 EDEDLO C=CCn1c(C)nn(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c1=S ZINC000902515716 592009025 /nfs/dbraw/zinc/00/90/25/592009025.db2.gz YMBVIDFBJUJPGH-ZDUSSCGKSA-N 1 2 337.449 1.686 20 30 EDEDLO O=C1[C@@H](C2CC2)[C@H](C2CC2)N1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902609185 592024684 /nfs/dbraw/zinc/02/46/84/592024684.db2.gz NWVOINPJYKYRKB-IRXDYDNUSA-N 1 2 330.428 1.929 20 30 EDEDLO CCc1noc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000902610936 592025489 /nfs/dbraw/zinc/02/54/89/592025489.db2.gz GUUZKJXHINHIEZ-UHFFFAOYSA-N 1 2 325.372 1.462 20 30 EDEDLO Cc1cc(C(N)=[NH+]OCC(=O)N2C[C@@H](C)OC(C)(C)C2)ccc1F ZINC000902699676 592044731 /nfs/dbraw/zinc/04/47/31/592044731.db2.gz PZHSLYUCOAJNBR-GFCCVEGCSA-N 1 2 337.395 1.797 20 30 EDEDLO COCC[N@@H+]1CCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000900745563 592116372 /nfs/dbraw/zinc/11/63/72/592116372.db2.gz QFIMNOICBRCCSY-QWGSZXSUSA-N 1 2 330.428 1.913 20 30 EDEDLO COCC[N@H+]1CCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000900745563 592116373 /nfs/dbraw/zinc/11/63/73/592116373.db2.gz QFIMNOICBRCCSY-QWGSZXSUSA-N 1 2 330.428 1.913 20 30 EDEDLO COCC[N@@H+]1CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)C[C@H]1C ZINC000900745564 592116545 /nfs/dbraw/zinc/11/65/45/592116545.db2.gz QFIMNOICBRCCSY-ROJDOSBLSA-N 1 2 330.428 1.913 20 30 EDEDLO COCC[N@H+]1CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)C[C@H]1C ZINC000900745564 592116547 /nfs/dbraw/zinc/11/65/47/592116547.db2.gz QFIMNOICBRCCSY-ROJDOSBLSA-N 1 2 330.428 1.913 20 30 EDEDLO N#Cc1sccc1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000908010053 592260940 /nfs/dbraw/zinc/26/09/40/592260940.db2.gz PRCWBGZNPJNKFC-UHFFFAOYSA-N 1 2 331.401 1.919 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000908066518 592303162 /nfs/dbraw/zinc/30/31/62/592303162.db2.gz GCNSOKDADYHSIM-IRXDYDNUSA-N 1 2 343.431 1.627 20 30 EDEDLO CCOCc1nc(Cl)cc(N[NH+]=Cc2cnc(N(C)C)nc2)n1 ZINC000901314073 592337308 /nfs/dbraw/zinc/33/73/08/592337308.db2.gz NNBOJZFHICODFC-UHFFFAOYSA-N 1 2 335.799 1.969 20 30 EDEDLO Cc1cc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc(C)c1C#N ZINC000906839328 592363545 /nfs/dbraw/zinc/36/35/45/592363545.db2.gz AEOZCALXRFBNRI-YJBOKZPZSA-N 1 2 327.428 1.968 20 30 EDEDLO CCCCN(O)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000904212250 592461603 /nfs/dbraw/zinc/46/16/03/592461603.db2.gz MWBCQPHCHVAPKU-UHFFFAOYSA-N 1 2 334.420 1.528 20 30 EDEDLO C#CCCCc1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CC ZINC000908870154 592639204 /nfs/dbraw/zinc/63/92/04/592639204.db2.gz UDCQGIUHNOWALQ-UHFFFAOYSA-N 1 2 342.447 1.873 20 30 EDEDLO C#C[C@H](NC(=O)c1ccc(NCc2[nH+]ccn2C)cc1)[C@@H]1CCCO1 ZINC000907484366 592668244 /nfs/dbraw/zinc/66/82/44/592668244.db2.gz BBVGWWZYUKUVGZ-IRXDYDNUSA-N 1 2 338.411 1.943 20 30 EDEDLO C#C[C@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)c1ccccc1 ZINC000911499808 592932378 /nfs/dbraw/zinc/93/23/78/592932378.db2.gz BLNMOWTVDJTQLT-SFHVURJKSA-N 1 2 337.423 1.925 20 30 EDEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+](C)C[C@@H](C)C#N ZINC000737522993 593074858 /nfs/dbraw/zinc/07/48/58/593074858.db2.gz FYQNXKBQHGENSZ-NSHDSACASA-N 1 2 337.391 1.483 20 30 EDEDLO Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C)C[C@@H](C)C#N ZINC000737522993 593074860 /nfs/dbraw/zinc/07/48/60/593074860.db2.gz FYQNXKBQHGENSZ-NSHDSACASA-N 1 2 337.391 1.483 20 30 EDEDLO C#CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CSC1 ZINC000912372529 593091099 /nfs/dbraw/zinc/09/10/99/593091099.db2.gz ZUFGGHDSEPDFNQ-UHFFFAOYSA-N 1 2 342.380 1.971 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000840080653 593133387 /nfs/dbraw/zinc/13/33/87/593133387.db2.gz XYHASHVONDKGKL-OAHLLOKOSA-N 1 2 327.388 1.287 20 30 EDEDLO C=CCN1CCN(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000840080653 593133389 /nfs/dbraw/zinc/13/33/89/593133389.db2.gz XYHASHVONDKGKL-OAHLLOKOSA-N 1 2 327.388 1.287 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1N(Cn2cc3c(c(C#N)c2=O)CCC3)CC1(C)C ZINC000840111682 593192637 /nfs/dbraw/zinc/19/26/37/593192637.db2.gz YFFQVLKXECLUEJ-MRXNPFEDSA-N 1 2 337.427 1.983 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000839846766 593198809 /nfs/dbraw/zinc/19/88/09/593198809.db2.gz NDSRIZHVKDAASS-OXJNMPFZSA-N 1 2 338.407 1.721 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000839846766 593198811 /nfs/dbraw/zinc/19/88/11/593198811.db2.gz NDSRIZHVKDAASS-OXJNMPFZSA-N 1 2 338.407 1.721 20 30 EDEDLO C[C@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)c2ccccc21 ZINC000807947514 593212203 /nfs/dbraw/zinc/21/22/03/593212203.db2.gz YTVZIAZTCNSOIT-ZDUSSCGKSA-N 1 2 332.473 1.694 20 30 EDEDLO CN(C)C(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000809994505 593374302 /nfs/dbraw/zinc/37/43/02/593374302.db2.gz AOQOPZYKMOEJGS-UHFFFAOYSA-N 1 2 327.384 1.991 20 30 EDEDLO C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000810463374 593403573 /nfs/dbraw/zinc/40/35/73/593403573.db2.gz VFEADJBVRSLKKY-ZDUSSCGKSA-N 1 2 338.367 1.034 20 30 EDEDLO C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000810463374 593403574 /nfs/dbraw/zinc/40/35/74/593403574.db2.gz VFEADJBVRSLKKY-ZDUSSCGKSA-N 1 2 338.367 1.034 20 30 EDEDLO Cc1cc[nH+]c(C)c1NC(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000806537154 593456710 /nfs/dbraw/zinc/45/67/10/593456710.db2.gz RRGQINCVNDNNTB-PFONDFGASA-N 1 2 329.360 1.346 20 30 EDEDLO Cc1nc(N2CC[NH+](CC[S@@](C)=O)CC2)c(Cl)cc1C#N ZINC000812459998 593501825 /nfs/dbraw/zinc/50/18/25/593501825.db2.gz JYTPGOMRDHXIHT-OAQYLSRUSA-N 1 2 326.853 1.416 20 30 EDEDLO N#CCCCC(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000812613880 593505426 /nfs/dbraw/zinc/50/54/26/593505426.db2.gz BVXMIUOGAHILIC-UHFFFAOYSA-N 1 2 345.399 1.694 20 30 EDEDLO COc1cc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)ccc1C#N ZINC000820046898 593786201 /nfs/dbraw/zinc/78/62/01/593786201.db2.gz MUCQUGZZFDVIHV-UHFFFAOYSA-N 1 2 336.395 1.920 20 30 EDEDLO C#CC[N@@H+](CC#CC)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000823844702 593871150 /nfs/dbraw/zinc/87/11/50/593871150.db2.gz HANVPBSTYJQKPF-UHFFFAOYSA-N 1 2 345.410 1.819 20 30 EDEDLO C#CC[N@H+](CC#CC)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000823844702 593871153 /nfs/dbraw/zinc/87/11/53/593871153.db2.gz HANVPBSTYJQKPF-UHFFFAOYSA-N 1 2 345.410 1.819 20 30 EDEDLO C=CCCn1cc(C(=O)OCc2c[nH+]cn2CC(F)(F)F)nn1 ZINC000820940932 593925288 /nfs/dbraw/zinc/92/52/88/593925288.db2.gz WKYDBQGLEABIKB-UHFFFAOYSA-N 1 2 329.282 1.970 20 30 EDEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000821391548 594035569 /nfs/dbraw/zinc/03/55/69/594035569.db2.gz NXIOOBVTDREQLT-LBPRGKRZSA-N 1 2 342.355 1.634 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](C)N(CCC)C(=O)OC(C)(C)C)CC1 ZINC000823306467 594183041 /nfs/dbraw/zinc/18/30/41/594183041.db2.gz UHONJAFPTZXWMY-OAHLLOKOSA-N 1 2 337.464 1.799 20 30 EDEDLO COC(=O)C1(C#N)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000823366042 594193021 /nfs/dbraw/zinc/19/30/21/594193021.db2.gz UQLGYZFOUKTEOQ-CQSZACIVSA-N 1 2 332.404 1.776 20 30 EDEDLO C#Cc1cnc(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)nc1 ZINC000827602316 594242377 /nfs/dbraw/zinc/24/23/77/594242377.db2.gz SXUGLSPNTBXVCD-DOTOQJQBSA-N 1 2 341.459 1.275 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000826104909 594332413 /nfs/dbraw/zinc/33/24/13/594332413.db2.gz JJJHPMKQZODGNO-INIZCTEOSA-N 1 2 345.443 1.738 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831441580 594631191 /nfs/dbraw/zinc/63/11/91/594631191.db2.gz DHPLTFPPMKYKPF-RDTXWAMCSA-N 1 2 347.438 1.786 20 30 EDEDLO C[C@]1(C=NNC(=S)NCC[NH+]2CCOCC2)C[C@@H]1c1ccccc1 ZINC000841607728 594928790 /nfs/dbraw/zinc/92/87/90/594928790.db2.gz XYMKTYDOYZOOKY-SJLPKXTDSA-N 1 2 346.500 1.962 20 30 EDEDLO N#Cc1ccc(CN2C(=O)CN(C[NH+]3CCSCC3)C2=O)cc1 ZINC000102390459 594942886 /nfs/dbraw/zinc/94/28/86/594942886.db2.gz PMGNGABSNCBRPV-UHFFFAOYSA-N 1 2 330.413 1.329 20 30 EDEDLO C#CC[C@H]1CCC[N@@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000842628432 595149393 /nfs/dbraw/zinc/14/93/93/595149393.db2.gz ZNHFWKREUMNDLR-LBPRGKRZSA-N 1 2 327.340 1.884 20 30 EDEDLO C#CC[C@H]1CCC[N@H+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1 ZINC000842628432 595149397 /nfs/dbraw/zinc/14/93/97/595149397.db2.gz ZNHFWKREUMNDLR-LBPRGKRZSA-N 1 2 327.340 1.884 20 30 EDEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000846335520 595209765 /nfs/dbraw/zinc/20/97/65/595209765.db2.gz KSWLHYQMZIGBLS-KRWDZBQOSA-N 1 2 343.427 1.305 20 30 EDEDLO C=C[C@H](C)ONC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000846549674 595272836 /nfs/dbraw/zinc/27/28/36/595272836.db2.gz RPVMJGLPAGUIGH-AWEZNQCLSA-N 1 2 332.404 1.133 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)NCC2CC[NH+](CC(F)F)CC2)cc1 ZINC000848096282 595317774 /nfs/dbraw/zinc/31/77/74/595317774.db2.gz SZWIPHQOWSZCIO-INIZCTEOSA-N 1 2 337.370 1.685 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)nn1 ZINC000846911560 595336317 /nfs/dbraw/zinc/33/63/17/595336317.db2.gz SHNXWTBTNZISGL-GFCCVEGCSA-N 1 2 345.369 1.745 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)nn1 ZINC000846911560 595336319 /nfs/dbraw/zinc/33/63/19/595336319.db2.gz SHNXWTBTNZISGL-GFCCVEGCSA-N 1 2 345.369 1.745 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000844530005 595355664 /nfs/dbraw/zinc/35/56/64/595355664.db2.gz ZMHHPBBCOWVVDS-ZBFHGGJFSA-N 1 2 336.342 1.418 20 30 EDEDLO N#Cc1c2c(cn(C[NH+]3CCC(Cn4cnnc4)CC3)c1=O)CCC2 ZINC000844734995 595386110 /nfs/dbraw/zinc/38/61/10/595386110.db2.gz ALEPVLCGHNAGTQ-UHFFFAOYSA-N 1 2 338.415 1.170 20 30 EDEDLO N#Cc1ccccc1CN1C(=O)CN(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844754923 595389958 /nfs/dbraw/zinc/38/99/58/595389958.db2.gz RGQUPVQFANBCFN-OKILXGFUSA-N 1 2 346.337 1.477 20 30 EDEDLO N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844754923 595389961 /nfs/dbraw/zinc/38/99/61/595389961.db2.gz RGQUPVQFANBCFN-OKILXGFUSA-N 1 2 346.337 1.477 20 30 EDEDLO Cc1ccc(C)c(/N=C2\NC(=O)[C@H](CC(=O)NCC[NH+](C)C)S2)c1 ZINC000106898477 595433298 /nfs/dbraw/zinc/43/32/98/595433298.db2.gz KZYQOSJRZBLCAH-AWEZNQCLSA-N 1 2 348.472 1.590 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000847730229 595475501 /nfs/dbraw/zinc/47/55/01/595475501.db2.gz PNFJXFUNCMFTJJ-MBNYWOFBSA-N 1 2 347.419 1.464 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000847730229 595475502 /nfs/dbraw/zinc/47/55/02/595475502.db2.gz PNFJXFUNCMFTJJ-MBNYWOFBSA-N 1 2 347.419 1.464 20 30 EDEDLO COC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000852767331 595534297 /nfs/dbraw/zinc/53/42/97/595534297.db2.gz CDQMUODZROWMIR-LBPRGKRZSA-N 1 2 330.388 1.706 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860075505 595566346 /nfs/dbraw/zinc/56/63/46/595566346.db2.gz DSLXGPVGKUDTRB-UHFFFAOYSA-N 1 2 328.420 1.033 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CC1 ZINC000112920452 595569145 /nfs/dbraw/zinc/56/91/45/595569145.db2.gz SVNUVDHTDWAJBV-UHFFFAOYSA-N 1 2 328.803 1.917 20 30 EDEDLO C#C[C@H](NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)C1CCOCC1 ZINC000850689437 595594372 /nfs/dbraw/zinc/59/43/72/595594372.db2.gz PSGKRGLUHMODCS-HNNXBMFYSA-N 1 2 340.383 1.126 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)C[NH2+]C)cc2[nH]c1=S ZINC000852920703 595615634 /nfs/dbraw/zinc/61/56/34/595615634.db2.gz XNSUXLCDRGXGSD-JTQLQIEISA-N 1 2 332.429 1.209 20 30 EDEDLO CC(C)NS(=O)(=O)c1ccc(N=NCc2c[nH+]c3n2CCC3)nc1 ZINC000853289265 595729475 /nfs/dbraw/zinc/72/94/75/595729475.db2.gz VMDIRSQASQMVIF-UHFFFAOYSA-N 1 2 348.432 1.357 20 30 EDEDLO Cc1cc(N2CC[NH+](CC[S@](C)=O)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000853368919 595744340 /nfs/dbraw/zinc/74/43/40/595744340.db2.gz CTKPIFCOZVTIIB-QHCPKHFHSA-N 1 2 336.417 1.275 20 30 EDEDLO CC(=[NH+]Nc1nnc(C)n1C)c1c(F)cccc1N1CCOCC1 ZINC000853433024 595750158 /nfs/dbraw/zinc/75/01/58/595750158.db2.gz SSERISPEPNFSLJ-UHFFFAOYSA-N 1 2 332.383 1.935 20 30 EDEDLO C=C[C@@](C)(CC)COC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000860690623 595764310 /nfs/dbraw/zinc/76/43/10/595764310.db2.gz FLKIAGAJAZAROP-MPGHIAIKSA-N 1 2 349.431 1.854 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O ZINC000853619981 595834439 /nfs/dbraw/zinc/83/44/39/595834439.db2.gz PDQFTXNGRRZCIQ-GOSISDBHSA-N 1 2 347.390 1.522 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O ZINC000853619981 595834443 /nfs/dbraw/zinc/83/44/43/595834443.db2.gz PDQFTXNGRRZCIQ-GOSISDBHSA-N 1 2 347.390 1.522 20 30 EDEDLO CC(C)(C)C#CC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000856077081 595888895 /nfs/dbraw/zinc/88/88/95/595888895.db2.gz AKCKHIBQMDOLAZ-FQEVSTJZSA-N 1 2 344.455 1.416 20 30 EDEDLO CC(C)(C)C#CC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000856077081 595888897 /nfs/dbraw/zinc/88/88/97/595888897.db2.gz AKCKHIBQMDOLAZ-FQEVSTJZSA-N 1 2 344.455 1.416 20 30 EDEDLO C#CCOCC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000851714106 595894104 /nfs/dbraw/zinc/89/41/04/595894104.db2.gz CVHDQNONNOJYPZ-MRXNPFEDSA-N 1 2 337.441 1.334 20 30 EDEDLO C#CCOCC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000851714106 595894106 /nfs/dbraw/zinc/89/41/06/595894106.db2.gz CVHDQNONNOJYPZ-MRXNPFEDSA-N 1 2 337.441 1.334 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)C1 ZINC000858925162 595923795 /nfs/dbraw/zinc/92/37/95/595923795.db2.gz ZHOCAIFVRLNLMC-SJLPKXTDSA-N 1 2 342.443 1.337 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)C1 ZINC000858925162 595923798 /nfs/dbraw/zinc/92/37/98/595923798.db2.gz ZHOCAIFVRLNLMC-SJLPKXTDSA-N 1 2 342.443 1.337 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000859026313 595954219 /nfs/dbraw/zinc/95/42/19/595954219.db2.gz KUDPZXCYFAUHRE-KRWDZBQOSA-N 1 2 330.432 1.337 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000859028792 595954845 /nfs/dbraw/zinc/95/48/45/595954845.db2.gz TXZPRBHZJNZTON-MRXNPFEDSA-N 1 2 330.432 1.337 20 30 EDEDLO CC(C)(C)OC(=O)N1CCO[C@H](C[NH+]2CCN(CCC#N)CC2)C1 ZINC000851872658 595956778 /nfs/dbraw/zinc/95/67/78/595956778.db2.gz NBDDGRUUOQAZIZ-OAHLLOKOSA-N 1 2 338.452 1.154 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000854087735 595972430 /nfs/dbraw/zinc/97/24/30/595972430.db2.gz LXYCUXLJMJUJBV-LBPRGKRZSA-N 1 2 342.374 1.587 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)cn1 ZINC000854411167 596067712 /nfs/dbraw/zinc/06/77/12/596067712.db2.gz MGWXDCIDPIXXAJ-ZDUSSCGKSA-N 1 2 325.372 1.088 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)cn1 ZINC000854411167 596067715 /nfs/dbraw/zinc/06/77/15/596067715.db2.gz MGWXDCIDPIXXAJ-ZDUSSCGKSA-N 1 2 325.372 1.088 20 30 EDEDLO N#Cc1ccc(OCCC[NH+]2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000859486339 596109436 /nfs/dbraw/zinc/10/94/36/596109436.db2.gz NHMTVDSDQRGAJC-UHFFFAOYSA-N 1 2 349.456 1.437 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000852331414 596127921 /nfs/dbraw/zinc/12/79/21/596127921.db2.gz YRIUSFBQHQCRHV-QFBILLFUSA-N 1 2 345.443 1.495 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H](O)COC2CCOCC2)C1 ZINC000852331414 596127923 /nfs/dbraw/zinc/12/79/23/596127923.db2.gz YRIUSFBQHQCRHV-QFBILLFUSA-N 1 2 345.443 1.495 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[NH+]1CCC(O)(CO)CC1 ZINC000852499278 596183747 /nfs/dbraw/zinc/18/37/47/596183747.db2.gz FWOCAWXBTAEDJP-LDADJPATSA-N 1 2 344.455 1.686 20 30 EDEDLO C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000852558533 596197697 /nfs/dbraw/zinc/19/76/97/596197697.db2.gz CBFNSRLJQMUWOX-UXIGCNINSA-N 1 2 340.383 1.357 20 30 EDEDLO C[C@@H](O)[C@H]1CCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000852558533 596197698 /nfs/dbraw/zinc/19/76/98/596197698.db2.gz CBFNSRLJQMUWOX-UXIGCNINSA-N 1 2 340.383 1.357 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000852738933 596236767 /nfs/dbraw/zinc/23/67/67/596236767.db2.gz DXHQEOBDOXBTRR-MGPQQGTHSA-N 1 2 341.427 1.710 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000852738933 596236768 /nfs/dbraw/zinc/23/67/68/596236768.db2.gz DXHQEOBDOXBTRR-MGPQQGTHSA-N 1 2 341.427 1.710 20 30 EDEDLO N#C[C@]1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCCOC1 ZINC000864546431 596260003 /nfs/dbraw/zinc/26/00/03/596260003.db2.gz CIOZOIZNVFKCIT-LJQANCHMSA-N 1 2 343.427 1.530 20 30 EDEDLO C=CCNC(=O)c1ccccc1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864695515 596311465 /nfs/dbraw/zinc/31/14/65/596311465.db2.gz NUPZTQPHDTUSJI-YVMONPNESA-N 1 2 329.400 1.429 20 30 EDEDLO C#CCCCS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@@H]2C1 ZINC000867627191 596467924 /nfs/dbraw/zinc/46/79/24/596467924.db2.gz UWUXEAVIEBTVRP-CVEARBPZSA-N 1 2 349.456 1.234 20 30 EDEDLO Cc1ccc(S(=O)(=O)NN=C2C[N@@H+]3C[C@@H]2CCC3)cc1[N+](=O)[O-] ZINC000863065386 596499595 /nfs/dbraw/zinc/49/95/95/596499595.db2.gz QNLJWYBOAGGINB-NSHDSACASA-N 1 2 338.389 1.263 20 30 EDEDLO Cc1ccc(S(=O)(=O)NN=C2C[N@H+]3C[C@@H]2CCC3)cc1[N+](=O)[O-] ZINC000863065386 596499597 /nfs/dbraw/zinc/49/95/97/596499597.db2.gz QNLJWYBOAGGINB-NSHDSACASA-N 1 2 338.389 1.263 20 30 EDEDLO Cc1[nH+]cc(C=NN[C@H]2CCCS(=O)(=O)C2)n1-c1ccccc1 ZINC000863132055 596506343 /nfs/dbraw/zinc/50/63/43/596506343.db2.gz AHTROVUJFAFNAE-AWEZNQCLSA-N 1 2 332.429 1.681 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2sccc2CC#N)CC1 ZINC000865194131 596510040 /nfs/dbraw/zinc/51/00/40/596510040.db2.gz LQVRDGUNVLMINW-UHFFFAOYSA-N 1 2 329.429 1.506 20 30 EDEDLO N#CCC1(CS(=O)(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)CC1 ZINC000867751601 596531516 /nfs/dbraw/zinc/53/15/16/596531516.db2.gz WRYQOERLWRXHJQ-OAHLLOKOSA-N 1 2 346.456 1.890 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)nn1 ZINC000865766140 596673486 /nfs/dbraw/zinc/67/34/86/596673486.db2.gz BZKVNIFYDVPKAD-CZIWCDLHSA-N 1 2 346.456 1.949 20 30 EDEDLO C=C(Cl)C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(=O)OCC ZINC000870029285 596716696 /nfs/dbraw/zinc/71/66/96/596716696.db2.gz QOSCYJPMJHQCSU-NWDGAFQWSA-N 1 2 325.796 1.636 20 30 EDEDLO N#CC1(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000870058268 596728384 /nfs/dbraw/zinc/72/83/84/596728384.db2.gz KGQHJHSTPAJLBK-MRXNPFEDSA-N 1 2 335.448 1.410 20 30 EDEDLO C=CCNC(=O)Cc1noc([C@@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000872180087 596822853 /nfs/dbraw/zinc/82/28/53/596822853.db2.gz NFWXYQVLPYHAGC-ZDUSSCGKSA-N 1 2 340.305 1.981 20 30 EDEDLO N#CC1(OCCOC(=O)Cc2cn3cc(F)ccc3[nH+]2)CCOCC1 ZINC000870362261 596851860 /nfs/dbraw/zinc/85/18/60/596851860.db2.gz ZIIPUOSCFWMMQW-UHFFFAOYSA-N 1 2 347.346 1.648 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)CC1 ZINC000121011966 596859124 /nfs/dbraw/zinc/85/91/24/596859124.db2.gz ABRVSKOJMDZWOJ-UHFFFAOYSA-N 1 2 348.834 1.825 20 30 EDEDLO CN(C)C(=S)NN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872349781 596883652 /nfs/dbraw/zinc/88/36/52/596883652.db2.gz FXHYFMQNHYTOCB-UHFFFAOYSA-N 1 2 336.461 1.168 20 30 EDEDLO COc1c(C)c[nH+]c(CN=Nc2nccc(N3CCOCC3)n2)c1C ZINC000872356992 596895169 /nfs/dbraw/zinc/89/51/69/596895169.db2.gz LVKMODAWPNAQQA-UHFFFAOYSA-N 1 2 342.403 1.780 20 30 EDEDLO CCn1ncnc1-c1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000875706012 596954047 /nfs/dbraw/zinc/95/40/47/596954047.db2.gz YGJJLZGOTKHVIF-KRWDZBQOSA-N 1 2 326.404 1.539 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C[C@@H]4CCCCN4C3=O)C2)nc1 ZINC000872612662 596990368 /nfs/dbraw/zinc/99/03/68/596990368.db2.gz IATZSUAPEIUMKK-JKSUJKDBSA-N 1 2 341.415 1.654 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C[C@@H]4CCCCN4C3=O)C2)nc1 ZINC000872612662 596990370 /nfs/dbraw/zinc/99/03/70/596990370.db2.gz IATZSUAPEIUMKK-JKSUJKDBSA-N 1 2 341.415 1.654 20 30 EDEDLO C=CCN1CCN(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)C1=O ZINC000872659550 597015819 /nfs/dbraw/zinc/01/58/19/597015819.db2.gz QISJPCJLAWBWEJ-ZIAGYGMSSA-N 1 2 338.452 1.855 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)C1=O ZINC000872659550 597015822 /nfs/dbraw/zinc/01/58/22/597015822.db2.gz QISJPCJLAWBWEJ-ZIAGYGMSSA-N 1 2 338.452 1.855 20 30 EDEDLO Cc1ccc2oc(=O)n(C[NH+]3CCN(c4ccc(C#N)nc4)CC3)c2c1 ZINC000872792883 597071880 /nfs/dbraw/zinc/07/18/80/597071880.db2.gz DGRPQQGFFZLIOV-UHFFFAOYSA-N 1 2 349.394 1.949 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C(=O)CC34CCCC4)CC2)cn1 ZINC000872794009 597072267 /nfs/dbraw/zinc/07/22/67/597072267.db2.gz FLQXHJGPLMCPFV-UHFFFAOYSA-N 1 2 325.416 1.578 20 30 EDEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H](C)C#N)C2)cc1 ZINC000875475525 597444752 /nfs/dbraw/zinc/44/47/52/597444752.db2.gz CGCMKDGEVFQJHD-DOTOQJQBSA-N 1 2 330.432 1.655 20 30 EDEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H](C)C#N)C2)cc1 ZINC000875475525 597444753 /nfs/dbraw/zinc/44/47/53/597444753.db2.gz CGCMKDGEVFQJHD-DOTOQJQBSA-N 1 2 330.432 1.655 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2CCC3(CCOCC3)O2)n1 ZINC000878526142 597622930 /nfs/dbraw/zinc/62/29/30/597622930.db2.gz KSLTUPDEXUFHAY-SFHVURJKSA-N 1 2 347.459 1.693 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2CCC3(CCOCC3)O2)n1 ZINC000878526142 597622933 /nfs/dbraw/zinc/62/29/33/597622933.db2.gz KSLTUPDEXUFHAY-SFHVURJKSA-N 1 2 347.459 1.693 20 30 EDEDLO CCOCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584639 597644380 /nfs/dbraw/zinc/64/43/80/597644380.db2.gz FECJHDGSAKLTRK-INIZCTEOSA-N 1 2 344.459 1.612 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000879590947 597648548 /nfs/dbraw/zinc/64/85/48/597648548.db2.gz OCMZNCFVUGGWJV-IYBDPMFKSA-N 1 2 346.450 1.929 20 30 EDEDLO CC(C)CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000879761011 597714253 /nfs/dbraw/zinc/71/42/53/597714253.db2.gz RYUPESOSALAXJT-HNNXBMFYSA-N 1 2 334.464 1.518 20 30 EDEDLO CC(C)CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000879761011 597714254 /nfs/dbraw/zinc/71/42/54/597714254.db2.gz RYUPESOSALAXJT-HNNXBMFYSA-N 1 2 334.464 1.518 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000881811525 597734178 /nfs/dbraw/zinc/73/41/78/597734178.db2.gz CLZXXJILUOMSSE-GFCCVEGCSA-N 1 2 339.288 1.541 20 30 EDEDLO C#CC1(F)CN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1 ZINC000883802602 597907759 /nfs/dbraw/zinc/90/77/59/597907759.db2.gz GKBIGORXUZBMJU-UHFFFAOYSA-N 1 2 339.411 1.159 20 30 EDEDLO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000880481055 597942118 /nfs/dbraw/zinc/94/21/18/597942118.db2.gz DPKOAGAXTZBZPI-CYBMUJFWSA-N 1 2 329.400 1.945 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000884087194 597991053 /nfs/dbraw/zinc/99/10/53/597991053.db2.gz VJZKQTVRQQBUBA-WCQYABFASA-N 1 2 330.306 1.853 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000884118157 597999669 /nfs/dbraw/zinc/99/96/69/597999669.db2.gz WKOPCKHOEDELTN-HNNXBMFYSA-N 1 2 334.416 1.717 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1csc(C(C)C)n1 ZINC000884207560 598028894 /nfs/dbraw/zinc/02/88/94/598028894.db2.gz YUPCDWIGYSUQFJ-LBPRGKRZSA-N 1 2 325.434 1.372 20 30 EDEDLO Cc1cc(F)c(C#N)cc1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000880987715 598046799 /nfs/dbraw/zinc/04/67/99/598046799.db2.gz NHWVIUYRWLDIMN-OKILXGFUSA-N 1 2 332.379 1.991 20 30 EDEDLO Cc1cc(F)c(C#N)cc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000880987715 598046802 /nfs/dbraw/zinc/04/68/02/598046802.db2.gz NHWVIUYRWLDIMN-OKILXGFUSA-N 1 2 332.379 1.991 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000884327751 598069263 /nfs/dbraw/zinc/06/92/63/598069263.db2.gz BBKWNTCNIIOXAK-BFHYXJOUSA-N 1 2 326.437 1.485 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060462453 695230825 /nfs/dbraw/zinc/23/08/25/695230825.db2.gz CTFFCDUVZQTJFS-LSDHHAIUSA-N 1 2 348.447 1.288 20 30 EDEDLO C[C@H](C#N)C(=O)NCc1ccccc1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001060521807 695726237 /nfs/dbraw/zinc/72/62/37/695726237.db2.gz LBWRASDQCXDSLM-CYBMUJFWSA-N 1 2 339.399 1.387 20 30 EDEDLO Cc1cc(C#N)nc(NC2CCC(NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001060597646 696203049 /nfs/dbraw/zinc/20/30/49/696203049.db2.gz UHBXHQZSPHXGPA-UHFFFAOYSA-N 1 2 339.403 1.393 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cn[nH]n2)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993538731 696212969 /nfs/dbraw/zinc/21/29/69/696212969.db2.gz FYSJCLYWKYONTJ-NHYWBVRUSA-N 1 2 342.378 1.598 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cn[nH]n2)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000993538731 696212971 /nfs/dbraw/zinc/21/29/71/696212971.db2.gz FYSJCLYWKYONTJ-NHYWBVRUSA-N 1 2 342.378 1.598 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)NC1CCC(Nc2ccncc2C#N)CC1 ZINC001060598729 696243422 /nfs/dbraw/zinc/24/34/22/696243422.db2.gz FHXWTYOOTQWJME-UHFFFAOYSA-N 1 2 338.415 1.191 20 30 EDEDLO C[C@H](C#N)C(=O)N[C@H](C)c1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001060634351 696494014 /nfs/dbraw/zinc/49/40/14/696494014.db2.gz UZZSPBOUZQDUBU-CHWSQXEVSA-N 1 2 339.399 1.605 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC001031314289 696655074 /nfs/dbraw/zinc/65/50/74/696655074.db2.gz QJNHKQQOKNWQFK-NRFANRHFSA-N 1 2 348.446 1.614 20 30 EDEDLO CCO[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031564760 697255621 /nfs/dbraw/zinc/25/56/21/697255621.db2.gz GNXKCGCMEDCXEX-NVXWUHKLSA-N 1 2 331.391 1.670 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cccnn3)C2)cc1F ZINC001032066261 697813332 /nfs/dbraw/zinc/81/33/32/697813332.db2.gz MIVQAWLOKNVCNU-UHFFFAOYSA-N 1 2 325.347 1.349 20 30 EDEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001060755436 698278149 /nfs/dbraw/zinc/27/81/49/698278149.db2.gz XSFPFRPKDSDKIW-BZUAXINKSA-N 1 2 345.447 1.614 20 30 EDEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001060755437 698278293 /nfs/dbraw/zinc/27/82/93/698278293.db2.gz XSFPFRPKDSDKIW-JYJNAYRXSA-N 1 2 345.447 1.614 20 30 EDEDLO C[C@@H]1OCCO[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031743184 698324099 /nfs/dbraw/zinc/32/40/99/698324099.db2.gz HSNBMPOGHKEPLE-SJCJKPOMSA-N 1 2 347.390 1.049 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000938652971 698426299 /nfs/dbraw/zinc/42/62/99/698426299.db2.gz IEERRGNJVNMAGI-ARFHVFGLSA-N 1 2 342.443 1.977 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000938652971 698426301 /nfs/dbraw/zinc/42/63/01/698426301.db2.gz IEERRGNJVNMAGI-ARFHVFGLSA-N 1 2 342.443 1.977 20 30 EDEDLO Cc1conc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001032107998 698904818 /nfs/dbraw/zinc/90/48/18/698904818.db2.gz GUYHWSUJXOCMLV-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cc3c([nH]c2=O)CCOC3)C1 ZINC001032119161 699000824 /nfs/dbraw/zinc/00/08/24/699000824.db2.gz HPLXENRNRVCGDV-UHFFFAOYSA-N 1 2 337.807 1.274 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H](OC)C3)CC2)C1 ZINC000941541331 701570748 /nfs/dbraw/zinc/57/07/48/701570748.db2.gz XUXSYCGDGUWNAR-AEFFLSMTSA-N 1 2 333.476 1.043 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnsn3)C2)c1 ZINC000939108637 699176259 /nfs/dbraw/zinc/17/62/59/699176259.db2.gz RJYYPZNXVXFMIS-IAQYHMDHSA-N 1 2 327.413 1.165 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCCC3(F)F)CC2)C1 ZINC000941534424 701573907 /nfs/dbraw/zinc/57/39/07/701573907.db2.gz ZHWNXXNAJMBPPM-HNNXBMFYSA-N 1 2 339.430 1.664 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)OC3CCCCCC3)CC2)C1 ZINC000941559777 701582928 /nfs/dbraw/zinc/58/29/28/701582928.db2.gz LHARTANTKSRVFY-KRWDZBQOSA-N 1 2 347.503 1.576 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3ccccc3F)CC2)C1 ZINC000941610926 701595937 /nfs/dbraw/zinc/59/59/37/701595937.db2.gz DGIICXPELRVOMJ-HNNXBMFYSA-N 1 2 329.419 1.391 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4ccncc43)CC2)C1 ZINC000941628130 701599513 /nfs/dbraw/zinc/59/95/13/701599513.db2.gz RSUNKTKCUSKXBV-UHFFFAOYSA-N 1 2 334.423 1.310 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(CC)cc3)CC2)C1 ZINC000941656708 701606592 /nfs/dbraw/zinc/60/65/92/701606592.db2.gz JECXSXQEFRMUEE-UHFFFAOYSA-N 1 2 325.456 1.714 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnn3)C2)nc1 ZINC000939553795 699703970 /nfs/dbraw/zinc/70/39/70/699703970.db2.gz CHDMMURMXYTXPU-IAQYHMDHSA-N 1 2 327.413 1.165 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(C)c(C)c3)CC2)C1 ZINC000941657877 701607154 /nfs/dbraw/zinc/60/71/54/701607154.db2.gz NFNCLGWROIZBQH-UHFFFAOYSA-N 1 2 325.456 1.308 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](OC)C3CCCCC3)CC2)C1 ZINC000941692462 701636906 /nfs/dbraw/zinc/63/69/06/701636906.db2.gz JMQOTPFNYPANNG-GOSISDBHSA-N 1 2 333.476 1.043 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](OC)C3CCCCC3)CC2)C1 ZINC000941693873 701637780 /nfs/dbraw/zinc/63/77/80/701637780.db2.gz ZKAHHLZXHHABBW-LJQANCHMSA-N 1 2 347.503 1.433 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC000995063719 700469619 /nfs/dbraw/zinc/46/96/19/700469619.db2.gz ICDDSZNINPNOAI-UHFFFAOYSA-N 1 2 334.339 1.017 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnn2cccnc12 ZINC001031892682 700689852 /nfs/dbraw/zinc/68/98/52/700689852.db2.gz OHKOOYLHJBWPEN-UHFFFAOYSA-N 1 2 345.406 1.443 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cccc(OC)n3)C2)cc1 ZINC001031892755 700691086 /nfs/dbraw/zinc/69/10/86/700691086.db2.gz RFTIEEDGSLQQTL-UHFFFAOYSA-N 1 2 335.407 1.933 20 30 EDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C(C)(C)C1 ZINC000941071002 701120190 /nfs/dbraw/zinc/12/01/90/701120190.db2.gz GVFNZDZNTYCJRK-CYBMUJFWSA-N 1 2 338.429 1.147 20 30 EDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C(C)(C)C1 ZINC000941071002 701120192 /nfs/dbraw/zinc/12/01/92/701120192.db2.gz GVFNZDZNTYCJRK-CYBMUJFWSA-N 1 2 338.429 1.147 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc(CNC(C)=O)c2)C1 ZINC001032197327 701691164 /nfs/dbraw/zinc/69/11/64/701691164.db2.gz ZZMVLFGSRWJKCQ-UHFFFAOYSA-N 1 2 335.835 1.737 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000941091573 701135227 /nfs/dbraw/zinc/13/52/27/701135227.db2.gz XCOKMUVCQMVYNQ-PBHICJAKSA-N 1 2 340.489 1.194 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000941091573 701135228 /nfs/dbraw/zinc/13/52/28/701135228.db2.gz XCOKMUVCQMVYNQ-PBHICJAKSA-N 1 2 340.489 1.194 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000941230414 701419105 /nfs/dbraw/zinc/41/91/05/701419105.db2.gz WELCNOFJFBOLJX-HUUCEWRRSA-N 1 2 342.443 1.519 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCN(C2C[NH+]([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000941339041 701477637 /nfs/dbraw/zinc/47/76/37/701477637.db2.gz MBXFZHXNEUOBGS-GJZGRUSLSA-N 1 2 344.434 1.875 20 30 EDEDLO Cc1nocc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031945738 701498525 /nfs/dbraw/zinc/49/85/25/701498525.db2.gz STDMUMZNZNIROS-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3oc(CC4CC4)nc3C)CC2)C1 ZINC000941408915 701521415 /nfs/dbraw/zinc/52/14/15/701521415.db2.gz YEHUATSFHKNPDO-UHFFFAOYSA-N 1 2 342.443 1.011 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(F)cccc3OC)CC2)C1 ZINC000941414044 701528827 /nfs/dbraw/zinc/52/88/27/701528827.db2.gz LBNDPIMXHFFUOE-UHFFFAOYSA-N 1 2 345.418 1.300 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C(F)F)nc3)CC2)C1 ZINC000941431057 701537880 /nfs/dbraw/zinc/53/78/80/701537880.db2.gz INPNHQVIQKIIKD-UHFFFAOYSA-N 1 2 334.370 1.094 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 ZINC000941438319 701540982 /nfs/dbraw/zinc/54/09/82/701540982.db2.gz QAEQWCUWOKKFCJ-UHFFFAOYSA-N 1 2 333.382 1.430 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cc(C)c(Cl)cn3)CC2)C1 ZINC000941455991 701542897 /nfs/dbraw/zinc/54/28/97/701542897.db2.gz JNGMOYZPFPAUET-UHFFFAOYSA-N 1 2 346.862 1.048 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+]([C@@H](C)c3cnc(C)cn3)C2)cn1 ZINC001032138187 701905343 /nfs/dbraw/zinc/90/53/43/701905343.db2.gz POQYXRFKVCUADS-AWEZNQCLSA-N 1 2 335.411 1.584 20 30 EDEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(F)c2)nn1 ZINC001032670060 706673267 /nfs/dbraw/zinc/67/32/67/706673267.db2.gz KHDKBMJIACAKIR-HOTGVXAUSA-N 1 2 341.390 1.702 20 30 EDEDLO C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(F)c2)nn1 ZINC001032670060 706673271 /nfs/dbraw/zinc/67/32/71/706673271.db2.gz KHDKBMJIACAKIR-HOTGVXAUSA-N 1 2 341.390 1.702 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@@H]2C)nc1 ZINC000944191691 702482330 /nfs/dbraw/zinc/48/23/30/702482330.db2.gz DOBPLJQNHFTYCE-WFASDCNBSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)C[C@@H]2C)nc1 ZINC000944191691 702482333 /nfs/dbraw/zinc/48/23/33/702482333.db2.gz DOBPLJQNHFTYCE-WFASDCNBSA-N 1 2 339.399 1.395 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000996336371 702718498 /nfs/dbraw/zinc/71/84/98/702718498.db2.gz SABHNRPXJTVKGX-INIZCTEOSA-N 1 2 349.475 1.027 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000996336371 702718501 /nfs/dbraw/zinc/71/85/01/702718501.db2.gz SABHNRPXJTVKGX-INIZCTEOSA-N 1 2 349.475 1.027 20 30 EDEDLO C=CCN1CC[NH+](C2CCC(NC(=O)c3[nH]nc(C)c3C)CC2)CC1 ZINC000996764036 703056489 /nfs/dbraw/zinc/05/64/89/703056489.db2.gz GKPTXXKNQPKONJ-UHFFFAOYSA-N 1 2 345.491 1.871 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(COC)no3)C[C@@H]2C)C1 ZINC000942602173 703118826 /nfs/dbraw/zinc/11/88/26/703118826.db2.gz FELRDANILDVZMM-UONOGXRCSA-N 1 2 348.447 1.899 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nc(COC)no3)C[C@@H]2C)C1 ZINC000942602173 703118829 /nfs/dbraw/zinc/11/88/29/703118829.db2.gz FELRDANILDVZMM-UONOGXRCSA-N 1 2 348.447 1.899 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nccc(C)n3)C[C@H]2C)c1 ZINC000942616326 703130197 /nfs/dbraw/zinc/13/01/97/703130197.db2.gz KPIJNNHALIVFTH-KDOFPFPSSA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nccc(C)n3)C[C@H]2C)c1 ZINC000942616326 703130198 /nfs/dbraw/zinc/13/01/98/703130198.db2.gz KPIJNNHALIVFTH-KDOFPFPSSA-N 1 2 349.438 1.802 20 30 EDEDLO C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001060811646 703458022 /nfs/dbraw/zinc/45/80/22/703458022.db2.gz CCHBCAGGLXUNNU-KLHDSHLOSA-N 1 2 345.447 1.785 20 30 EDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@H]1CCN(CC#N)C1 ZINC001033085328 704148989 /nfs/dbraw/zinc/14/89/89/704148989.db2.gz SFNBAYNFXGKFRT-OWCLPIDISA-N 1 2 327.432 1.210 20 30 EDEDLO N#Cc1cnc(N2CCC[C@@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001061478210 704269102 /nfs/dbraw/zinc/26/91/02/704269102.db2.gz RRFBGYXDAMIPNU-CQSZACIVSA-N 1 2 347.382 1.623 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn3c(n2)CCC3)CC1 ZINC001004445859 704428529 /nfs/dbraw/zinc/42/85/29/704428529.db2.gz BOAKAGSXSZJXMK-MRXNPFEDSA-N 1 2 327.432 1.669 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn3c(n2)CCC3)CC1 ZINC001004445859 704428530 /nfs/dbraw/zinc/42/85/30/704428530.db2.gz BOAKAGSXSZJXMK-MRXNPFEDSA-N 1 2 327.432 1.669 20 30 EDEDLO CCc1c[nH]c(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004455781 704449458 /nfs/dbraw/zinc/44/94/58/704449458.db2.gz AZEQNYPGSHGLRE-INIZCTEOSA-N 1 2 329.448 1.741 20 30 EDEDLO CCc1c[nH]c(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004455781 704449459 /nfs/dbraw/zinc/44/94/59/704449459.db2.gz AZEQNYPGSHGLRE-INIZCTEOSA-N 1 2 329.448 1.741 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCN(C(C)(C)C)C1=O ZINC001032562387 704799270 /nfs/dbraw/zinc/79/92/70/704799270.db2.gz SHZYBASILZRQRN-KKUMJFAQSA-N 1 2 333.476 1.883 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCN(C(C)(C)C)C1=O ZINC001032562387 704799272 /nfs/dbraw/zinc/79/92/72/704799272.db2.gz SHZYBASILZRQRN-KKUMJFAQSA-N 1 2 333.476 1.883 20 30 EDEDLO CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCCN(CC#N)CC1 ZINC000998052906 705256237 /nfs/dbraw/zinc/25/62/37/705256237.db2.gz QZWRUWKKZCKDJO-HZPDHXFCSA-N 1 2 329.448 1.672 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2noc(CCC)n2)C1 ZINC000999427732 706935206 /nfs/dbraw/zinc/93/52/06/706935206.db2.gz KNVGFTZPIFNRRC-CVSAEHQPSA-N 1 2 348.447 1.692 20 30 EDEDLO CN(C(=O)c1cn(C)ccc1=O)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033257172 707259397 /nfs/dbraw/zinc/25/93/97/707259397.db2.gz NYEGDJQHXVPNAQ-SFHVURJKSA-N 1 2 349.434 1.583 20 30 EDEDLO CN(C(=O)c1cn(C)ccc1=O)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033257172 707259401 /nfs/dbraw/zinc/25/94/01/707259401.db2.gz NYEGDJQHXVPNAQ-SFHVURJKSA-N 1 2 349.434 1.583 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C)[nH]3)nn2)C1 ZINC000999973274 707586303 /nfs/dbraw/zinc/58/63/03/707586303.db2.gz YGIRNVXWEDTFJW-CYBMUJFWSA-N 1 2 349.826 1.239 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cnc(C)[nH]3)nn2)C1 ZINC000999973274 707586305 /nfs/dbraw/zinc/58/63/05/707586305.db2.gz YGIRNVXWEDTFJW-CYBMUJFWSA-N 1 2 349.826 1.239 20 30 EDEDLO Cc1nc(NC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)ccc1C#N ZINC001060894842 707644598 /nfs/dbraw/zinc/64/45/98/707644598.db2.gz RHGQGWGRTVQKHJ-CQSZACIVSA-N 1 2 338.415 1.498 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2c(C)noc2C)cn1 ZINC001032738096 707763339 /nfs/dbraw/zinc/76/33/39/707763339.db2.gz QCFGMBXZDOEORB-IRXDYDNUSA-N 1 2 336.395 1.767 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2c(C)noc2C)cn1 ZINC001032738096 707763343 /nfs/dbraw/zinc/76/33/43/707763343.db2.gz QCFGMBXZDOEORB-IRXDYDNUSA-N 1 2 336.395 1.767 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033222819 707807163 /nfs/dbraw/zinc/80/71/63/707807163.db2.gz SGCYRJRCGWVOLC-ZDUSSCGKSA-N 1 2 328.351 1.162 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033222819 707807168 /nfs/dbraw/zinc/80/71/68/707807168.db2.gz SGCYRJRCGWVOLC-ZDUSSCGKSA-N 1 2 328.351 1.162 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(C)n2)C1 ZINC001033437979 707865330 /nfs/dbraw/zinc/86/53/30/707865330.db2.gz MBVUXBLMTHZLIG-CYBMUJFWSA-N 1 2 341.253 1.633 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2ccc(C)n2)C1 ZINC001033437979 707865331 /nfs/dbraw/zinc/86/53/31/707865331.db2.gz MBVUXBLMTHZLIG-CYBMUJFWSA-N 1 2 341.253 1.633 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC001032775866 707938102 /nfs/dbraw/zinc/93/81/02/707938102.db2.gz IHYSURZQNOJYFX-PVAVHDDUSA-N 1 2 329.444 1.086 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC001032775866 707938105 /nfs/dbraw/zinc/93/81/05/707938105.db2.gz IHYSURZQNOJYFX-PVAVHDDUSA-N 1 2 329.444 1.086 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033496827 707992310 /nfs/dbraw/zinc/99/23/10/707992310.db2.gz HQDGGQISPVMNMA-ZOBUZTSGSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033496827 707992313 /nfs/dbraw/zinc/99/23/13/707992313.db2.gz HQDGGQISPVMNMA-ZOBUZTSGSA-N 1 2 333.432 1.997 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CNC(C)=O)c1 ZINC001032790912 708024927 /nfs/dbraw/zinc/02/49/27/708024927.db2.gz BRGHDOGDGVZQBV-ROUUACIJSA-N 1 2 325.412 1.245 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CNC(C)=O)c1 ZINC001032790912 708024929 /nfs/dbraw/zinc/02/49/29/708024929.db2.gz BRGHDOGDGVZQBV-ROUUACIJSA-N 1 2 325.412 1.245 20 30 EDEDLO CN(C(=O)c1ccn(C)n1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033655871 708424952 /nfs/dbraw/zinc/42/49/52/708424952.db2.gz LPBYYLQFVMWOPS-QGZVFWFLSA-N 1 2 340.402 1.757 20 30 EDEDLO CN(C(=O)c1ccn(C)n1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033655871 708424953 /nfs/dbraw/zinc/42/49/53/708424953.db2.gz LPBYYLQFVMWOPS-QGZVFWFLSA-N 1 2 340.402 1.757 20 30 EDEDLO C[C@H](c1nncn1C)[NH+]1CCC(N(C)C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001005277076 708506546 /nfs/dbraw/zinc/50/65/46/708506546.db2.gz YMXOBOPGMJCKSN-GFCCVEGCSA-N 1 2 341.419 1.312 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001002138814 708675886 /nfs/dbraw/zinc/67/58/86/708675886.db2.gz PHCBPXYUCAXCBG-HNNXBMFYSA-N 1 2 329.872 1.288 20 30 EDEDLO C#CCCCC(=O)N1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001061061175 708750393 /nfs/dbraw/zinc/75/03/93/708750393.db2.gz TURNOGMCBYKYSQ-UHFFFAOYSA-N 1 2 342.443 1.528 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn(CCOC)nn2)C1 ZINC001033831030 708853159 /nfs/dbraw/zinc/85/31/59/708853159.db2.gz VSKNZSCMTJQRPK-ZDUSSCGKSA-N 1 2 341.843 1.213 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn(CCOC)nn2)C1 ZINC001033831030 708853165 /nfs/dbraw/zinc/85/31/65/708853165.db2.gz VSKNZSCMTJQRPK-ZDUSSCGKSA-N 1 2 341.843 1.213 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001005418930 708954705 /nfs/dbraw/zinc/95/47/05/708954705.db2.gz PLWIZTNZKUORRC-WFASDCNBSA-N 1 2 343.265 1.854 20 30 EDEDLO CCN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033887700 708996698 /nfs/dbraw/zinc/99/66/98/708996698.db2.gz KZHNKCOFANWPLC-AWEZNQCLSA-N 1 2 342.378 1.552 20 30 EDEDLO CCN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033887700 708996701 /nfs/dbraw/zinc/99/67/01/708996701.db2.gz KZHNKCOFANWPLC-AWEZNQCLSA-N 1 2 342.378 1.552 20 30 EDEDLO Cc1cc(C#N)nc(N[C@@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001061095930 709015358 /nfs/dbraw/zinc/01/53/58/709015358.db2.gz PEVGGGNYWMNKPP-UONOGXRCSA-N 1 2 339.403 1.393 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001002555199 709101911 /nfs/dbraw/zinc/10/19/11/709101911.db2.gz FIYZYGIBSQEEIV-NSHDSACASA-N 1 2 344.253 1.002 20 30 EDEDLO C=CCn1cccc1C(=O)NCC1CN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001002615874 709172016 /nfs/dbraw/zinc/17/20/16/709172016.db2.gz MTGNHGWLMDUXHI-UHFFFAOYSA-N 1 2 341.415 1.137 20 30 EDEDLO CCN(C(=O)c1cnn(C)n1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033982944 709191759 /nfs/dbraw/zinc/19/17/59/709191759.db2.gz KKNCKBSAUXGHBJ-INIZCTEOSA-N 1 2 338.415 1.423 20 30 EDEDLO CCN(C(=O)c1cnn(C)n1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033982944 709191761 /nfs/dbraw/zinc/19/17/61/709191761.db2.gz KKNCKBSAUXGHBJ-INIZCTEOSA-N 1 2 338.415 1.423 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001034056072 709287375 /nfs/dbraw/zinc/28/73/75/709287375.db2.gz GJUYAULLHJHUTR-CYBMUJFWSA-N 1 2 336.823 1.469 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001034056072 709287376 /nfs/dbraw/zinc/28/73/76/709287376.db2.gz GJUYAULLHJHUTR-CYBMUJFWSA-N 1 2 336.823 1.469 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC001061133347 709322655 /nfs/dbraw/zinc/32/26/55/709322655.db2.gz BQNLAKIVAOXRMB-VXGBXAGGSA-N 1 2 325.376 1.153 20 30 EDEDLO CCn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171531 709485853 /nfs/dbraw/zinc/48/58/53/709485853.db2.gz SQZMTEXBYQRRPA-AWEZNQCLSA-N 1 2 341.419 1.282 20 30 EDEDLO CCn1nncc1C[N@H+]1CCCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171531 709485855 /nfs/dbraw/zinc/48/58/55/709485855.db2.gz SQZMTEXBYQRRPA-AWEZNQCLSA-N 1 2 341.419 1.282 20 30 EDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CCCCN(CC#N)C2)[nH]n1 ZINC001034216178 709570657 /nfs/dbraw/zinc/57/06/57/709570657.db2.gz FGXVKZNLEOOMAV-XJKSGUPXSA-N 1 2 330.436 1.284 20 30 EDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CCCCN(CC#N)C2)[nH]n1 ZINC001034216178 709570661 /nfs/dbraw/zinc/57/06/61/709570661.db2.gz FGXVKZNLEOOMAV-XJKSGUPXSA-N 1 2 330.436 1.284 20 30 EDEDLO N#CCOc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2csnn2)cc1 ZINC001038556721 709694826 /nfs/dbraw/zinc/69/48/26/709694826.db2.gz HMPYQXFFSVSUMJ-CYBMUJFWSA-N 1 2 343.412 1.445 20 30 EDEDLO N#CCOc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2csnn2)cc1 ZINC001038556721 709694828 /nfs/dbraw/zinc/69/48/28/709694828.db2.gz HMPYQXFFSVSUMJ-CYBMUJFWSA-N 1 2 343.412 1.445 20 30 EDEDLO Cc1cc(C#N)nc(N(C)[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001061227944 709828766 /nfs/dbraw/zinc/82/87/66/709828766.db2.gz PMQRNRUNNLZZBL-AWEZNQCLSA-N 1 2 339.403 1.050 20 30 EDEDLO CN(c1ncccc1C#N)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001061244187 709935239 /nfs/dbraw/zinc/93/52/39/709935239.db2.gz INGAGIXCDJTKNX-MRXNPFEDSA-N 1 2 338.415 1.667 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2nc3ncc(C)cn3n2)CC1 ZINC001003111551 709995749 /nfs/dbraw/zinc/99/57/49/709995749.db2.gz PIIBXDPYIKYVLD-UHFFFAOYSA-N 1 2 334.811 1.379 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001034526927 710179862 /nfs/dbraw/zinc/17/98/62/710179862.db2.gz BVFFEVDORKTKGU-GFCCVEGCSA-N 1 2 341.253 1.913 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001034526927 710179864 /nfs/dbraw/zinc/17/98/64/710179864.db2.gz BVFFEVDORKTKGU-GFCCVEGCSA-N 1 2 341.253 1.913 20 30 EDEDLO C=C(Br)CN1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547346 710221508 /nfs/dbraw/zinc/22/15/08/710221508.db2.gz PQWHFBQHUIJBCG-ZDUSSCGKSA-N 1 2 341.253 1.762 20 30 EDEDLO CN(C(=O)c1cnn(C)c1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032907498 710713927 /nfs/dbraw/zinc/71/39/27/710713927.db2.gz RKGISQCKCHKOCF-MRXNPFEDSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1cnn(C)c1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032907498 710713931 /nfs/dbraw/zinc/71/39/31/710713931.db2.gz RKGISQCKCHKOCF-MRXNPFEDSA-N 1 2 341.390 1.777 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3nnc(C)o3)CC2)cn1 ZINC001003982950 711181259 /nfs/dbraw/zinc/18/12/59/711181259.db2.gz GAPZFLSWIOYUND-GFCCVEGCSA-N 1 2 339.399 1.710 20 30 EDEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC001033019606 711297952 /nfs/dbraw/zinc/29/79/52/711297952.db2.gz AQQZGVVSMGBWKK-INIZCTEOSA-N 1 2 343.431 1.091 20 30 EDEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC001033019606 711297955 /nfs/dbraw/zinc/29/79/55/711297955.db2.gz AQQZGVVSMGBWKK-INIZCTEOSA-N 1 2 343.431 1.091 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(C3CC3)no2)c1 ZINC001034894680 711317047 /nfs/dbraw/zinc/31/70/47/711317047.db2.gz HFWSEAYAPYXEGA-CYBMUJFWSA-N 1 2 340.387 1.541 20 30 EDEDLO COc1nccc(C[N@@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001033023026 711362228 /nfs/dbraw/zinc/36/22/28/711362228.db2.gz MACMRESBYPLGSD-HNNXBMFYSA-N 1 2 340.387 1.031 20 30 EDEDLO COc1nccc(C[N@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001033023026 711362231 /nfs/dbraw/zinc/36/22/31/711362231.db2.gz MACMRESBYPLGSD-HNNXBMFYSA-N 1 2 340.387 1.031 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)o2)C1 ZINC001033037735 711501665 /nfs/dbraw/zinc/50/16/65/711501665.db2.gz LLEXEHGCWQTYQY-SNVBAGLBSA-N 1 2 344.209 1.033 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)n(C)o2)C1 ZINC001033037735 711501668 /nfs/dbraw/zinc/50/16/68/711501668.db2.gz LLEXEHGCWQTYQY-SNVBAGLBSA-N 1 2 344.209 1.033 20 30 EDEDLO C=CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001061410325 711574006 /nfs/dbraw/zinc/57/40/06/711574006.db2.gz OFLAXJBNQOYSHS-KGLIPLIRSA-N 1 2 346.431 1.139 20 30 EDEDLO CCc1nn(C)cc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004464299 711842166 /nfs/dbraw/zinc/84/21/66/711842166.db2.gz NLXCXZZKENERFA-QGZVFWFLSA-N 1 2 329.448 1.823 20 30 EDEDLO CCc1nn(C)cc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004464299 711842169 /nfs/dbraw/zinc/84/21/69/711842169.db2.gz NLXCXZZKENERFA-QGZVFWFLSA-N 1 2 329.448 1.823 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001033130261 711882142 /nfs/dbraw/zinc/88/21/42/711882142.db2.gz UWVYNGZNJFBEHC-GJZGRUSLSA-N 1 2 341.883 1.776 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001033130261 711882143 /nfs/dbraw/zinc/88/21/43/711882143.db2.gz UWVYNGZNJFBEHC-GJZGRUSLSA-N 1 2 341.883 1.776 20 30 EDEDLO Cc1nccc(CCC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004496345 711883957 /nfs/dbraw/zinc/88/39/57/711883957.db2.gz YRXOKUDYKVPZLI-GOSISDBHSA-N 1 2 341.459 1.944 20 30 EDEDLO Cc1nccc(CCC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004496345 711883960 /nfs/dbraw/zinc/88/39/60/711883960.db2.gz YRXOKUDYKVPZLI-GOSISDBHSA-N 1 2 341.459 1.944 20 30 EDEDLO COc1cccnc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004604909 712054561 /nfs/dbraw/zinc/05/45/61/712054561.db2.gz KJVALZLJAPGIJV-OAHLLOKOSA-N 1 2 328.416 1.930 20 30 EDEDLO COc1cccnc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004604909 712054562 /nfs/dbraw/zinc/05/45/62/712054562.db2.gz KJVALZLJAPGIJV-OAHLLOKOSA-N 1 2 328.416 1.930 20 30 EDEDLO Cc1cnn(CCC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c1 ZINC001004618513 712079063 /nfs/dbraw/zinc/07/90/63/712079063.db2.gz FPQUXFOREJRQJO-KRWDZBQOSA-N 1 2 329.448 1.808 20 30 EDEDLO Cc1cnn(CCC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c1 ZINC001004618513 712079065 /nfs/dbraw/zinc/07/90/65/712079065.db2.gz FPQUXFOREJRQJO-KRWDZBQOSA-N 1 2 329.448 1.808 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001033170320 712319810 /nfs/dbraw/zinc/31/98/10/712319810.db2.gz GKINWPLOCOQJDY-LBPRGKRZSA-N 1 2 336.823 1.958 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001033170320 712319812 /nfs/dbraw/zinc/31/98/12/712319812.db2.gz GKINWPLOCOQJDY-LBPRGKRZSA-N 1 2 336.823 1.958 20 30 EDEDLO CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000050991561 214074623 /nfs/dbraw/zinc/07/46/23/214074623.db2.gz KMEFSUVBBAONMQ-UHFFFAOYSA-N 1 2 346.456 1.841 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000051315326 214087479 /nfs/dbraw/zinc/08/74/79/214087479.db2.gz CHOKKTCFGHNFNB-UHFFFAOYSA-N 1 2 331.416 1.824 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000051315326 214087482 /nfs/dbraw/zinc/08/74/82/214087482.db2.gz CHOKKTCFGHNFNB-UHFFFAOYSA-N 1 2 331.416 1.824 20 30 EDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000174057156 529788078 /nfs/dbraw/zinc/78/80/78/529788078.db2.gz LKCZCMHNLJFSSW-HNNXBMFYSA-N 1 2 342.424 1.875 20 30 EDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000174057156 529788079 /nfs/dbraw/zinc/78/80/79/529788079.db2.gz LKCZCMHNLJFSSW-HNNXBMFYSA-N 1 2 342.424 1.875 20 30 EDEDLO C[C@@H]1C[C@@H]1CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000328657462 539341809 /nfs/dbraw/zinc/34/18/09/539341809.db2.gz PATGYTNAFWCDRE-BZUAXINKSA-N 1 2 336.480 1.575 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000329054024 539401262 /nfs/dbraw/zinc/40/12/62/539401262.db2.gz AMGNVWJFFNQJLZ-KBPBESRZSA-N 1 2 331.424 1.942 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000329054024 539401266 /nfs/dbraw/zinc/40/12/66/539401266.db2.gz AMGNVWJFFNQJLZ-KBPBESRZSA-N 1 2 331.424 1.942 20 30 EDEDLO Cn1nc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(=O)c2ccccc21 ZINC000329422114 539435554 /nfs/dbraw/zinc/43/55/54/539435554.db2.gz FOWPKFOMNOMMQF-UHFFFAOYSA-N 1 2 344.415 1.349 20 30 EDEDLO Cn1nc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c(=O)c2ccccc21 ZINC000329422114 539435557 /nfs/dbraw/zinc/43/55/57/539435557.db2.gz FOWPKFOMNOMMQF-UHFFFAOYSA-N 1 2 344.415 1.349 20 30 EDEDLO O=C(NCCOc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329732357 539461187 /nfs/dbraw/zinc/46/11/87/539461187.db2.gz ITAIJKLPFKILGO-OAHLLOKOSA-N 1 2 337.395 1.525 20 30 EDEDLO O=C(N[C@@H]1CCN(c2ccccc2)C1=O)N1CCn2cc[nH+]c2C1 ZINC000329855481 539469239 /nfs/dbraw/zinc/46/92/39/539469239.db2.gz UCBZFKYSEUNJQS-CQSZACIVSA-N 1 2 325.372 1.418 20 30 EDEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c2cccnc12 ZINC000330260064 539540533 /nfs/dbraw/zinc/54/05/33/539540533.db2.gz NXILWXAKQCTDHZ-GDBMZVCRSA-N 1 2 342.399 1.804 20 30 EDEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2cccnc12 ZINC000330260064 539540537 /nfs/dbraw/zinc/54/05/37/539540537.db2.gz NXILWXAKQCTDHZ-GDBMZVCRSA-N 1 2 342.399 1.804 20 30 EDEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CC(=O)NCC#N ZINC000066496514 215048350 /nfs/dbraw/zinc/04/83/50/215048350.db2.gz QZQKBZQRUAAZAT-UHFFFAOYSA-N 1 2 325.416 1.869 20 30 EDEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CC(=O)NCC#N ZINC000066496514 215048353 /nfs/dbraw/zinc/04/83/53/215048353.db2.gz QZQKBZQRUAAZAT-UHFFFAOYSA-N 1 2 325.416 1.869 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000342372378 291276304 /nfs/dbraw/zinc/27/63/04/291276304.db2.gz MQUBPUCBQWRRNT-SJLPKXTDSA-N 1 2 327.384 1.374 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000342372378 291276307 /nfs/dbraw/zinc/27/63/07/291276307.db2.gz MQUBPUCBQWRRNT-SJLPKXTDSA-N 1 2 327.384 1.374 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000091936871 218092007 /nfs/dbraw/zinc/09/20/07/218092007.db2.gz BUMYRELQRZKLKS-NSHDSACASA-N 1 2 342.428 1.219 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(C(N)=O)cs1 ZINC000091936871 218092009 /nfs/dbraw/zinc/09/20/09/218092009.db2.gz BUMYRELQRZKLKS-NSHDSACASA-N 1 2 342.428 1.219 20 30 EDEDLO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)[C@@H]1C(=O)OC ZINC000342760230 250009187 /nfs/dbraw/zinc/00/91/87/250009187.db2.gz YZKKHMBYEHRHIE-HOTGVXAUSA-N 1 2 330.384 1.679 20 30 EDEDLO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]1C(=O)OC ZINC000342760230 250009190 /nfs/dbraw/zinc/00/91/90/250009190.db2.gz YZKKHMBYEHRHIE-HOTGVXAUSA-N 1 2 330.384 1.679 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000352236467 250076288 /nfs/dbraw/zinc/07/62/88/250076288.db2.gz DHBTUWHRRSXNQY-MRXNPFEDSA-N 1 2 339.480 1.417 20 30 EDEDLO CC[C@@H](Nc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000353729265 250084004 /nfs/dbraw/zinc/08/40/04/250084004.db2.gz MECCKKYTLLWGAZ-GOSISDBHSA-N 1 2 344.459 1.952 20 30 EDEDLO CN(CCC#N)S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000355213479 250109341 /nfs/dbraw/zinc/10/93/41/250109341.db2.gz IBWJKDANZQGGRG-AWEZNQCLSA-N 1 2 344.868 1.623 20 30 EDEDLO CCOCC[NH+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 ZINC000355836565 250122342 /nfs/dbraw/zinc/12/23/42/250122342.db2.gz XDGUUBQEBDCPKR-UHFFFAOYSA-N 1 2 343.493 1.444 20 30 EDEDLO C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000355830830 250122474 /nfs/dbraw/zinc/12/24/74/250122474.db2.gz KZHAIOPOYONQMQ-CABCVRRESA-N 1 2 343.493 1.489 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361105619 250170993 /nfs/dbraw/zinc/17/09/93/250170993.db2.gz VTTZWLXAWYYREO-GJZGRUSLSA-N 1 2 347.463 1.955 20 30 EDEDLO N#C[C@H]1CCC[C@H]1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000360082973 250161468 /nfs/dbraw/zinc/16/14/68/250161468.db2.gz OBFSWXOLXNMZTG-UKRRQHHQSA-N 1 2 329.404 1.410 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(C)C ZINC000374187570 250255448 /nfs/dbraw/zinc/25/54/48/250255448.db2.gz LUFHGMFCDYRICA-HOCLYGCPSA-N 1 2 325.478 1.151 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1OC ZINC000378113750 250297231 /nfs/dbraw/zinc/29/72/31/250297231.db2.gz JUTNVAQEUOWJBY-INIZCTEOSA-N 1 2 346.427 1.807 20 30 EDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc(C#N)c2ccccc2n1 ZINC000433784042 269689883 /nfs/dbraw/zinc/68/98/83/269689883.db2.gz UFCNIWCCQGEICU-OAHLLOKOSA-N 1 2 326.400 1.236 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000491068330 255117802 /nfs/dbraw/zinc/11/78/02/255117802.db2.gz OBPUWWKNJDFRDJ-GFCCVEGCSA-N 1 2 349.381 1.753 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2c3c(ccc2Cl)OCC3)CC1 ZINC000490742049 255104615 /nfs/dbraw/zinc/10/46/15/255104615.db2.gz UZDHOXWVYLLOHU-UHFFFAOYSA-N 1 2 333.819 1.464 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc3c(c2)CCCC3=O)CC1 ZINC000490760705 255105366 /nfs/dbraw/zinc/10/53/66/255105366.db2.gz OPNMQDPNLJLTQJ-UHFFFAOYSA-N 1 2 326.396 1.362 20 30 EDEDLO C#C[C@@H](CC)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491666176 255137289 /nfs/dbraw/zinc/13/72/89/255137289.db2.gz WHZMZPMBNODSPW-HNNXBMFYSA-N 1 2 328.416 1.038 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000491813605 255148799 /nfs/dbraw/zinc/14/87/99/255148799.db2.gz IAYOWXQRTLXMOJ-UHFFFAOYSA-N 1 2 334.441 1.052 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000491816835 255149361 /nfs/dbraw/zinc/14/93/61/255149361.db2.gz XQARUULROIFAKP-OAHLLOKOSA-N 1 2 342.443 1.836 20 30 EDEDLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000493935384 255227257 /nfs/dbraw/zinc/22/72/57/255227257.db2.gz OTXRFLJNXXEJLL-LSDHHAIUSA-N 1 2 330.388 1.295 20 30 EDEDLO CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000493935384 255227258 /nfs/dbraw/zinc/22/72/58/255227258.db2.gz OTXRFLJNXXEJLL-LSDHHAIUSA-N 1 2 330.388 1.295 20 30 EDEDLO Cc1ccn(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000495269054 255277059 /nfs/dbraw/zinc/27/70/59/255277059.db2.gz AUDRRORCAMMDRT-CQSZACIVSA-N 1 2 346.431 1.927 20 30 EDEDLO Cc1ccn(C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000495269054 255277060 /nfs/dbraw/zinc/27/70/60/255277060.db2.gz AUDRRORCAMMDRT-CQSZACIVSA-N 1 2 346.431 1.927 20 30 EDEDLO Cc1ccn(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(=O)c1C#N ZINC000495270960 255277235 /nfs/dbraw/zinc/27/72/35/255277235.db2.gz OFSCVLBVZZMPER-UHFFFAOYSA-N 1 2 346.431 1.975 20 30 EDEDLO C=C[C@H]1CCCCN1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000494395373 255249261 /nfs/dbraw/zinc/24/92/61/255249261.db2.gz HJERUSORTORLOR-DOTOQJQBSA-N 1 2 339.505 1.944 20 30 EDEDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000495771997 255323360 /nfs/dbraw/zinc/32/33/60/255323360.db2.gz VYRFSMUPRUTTJM-AWEZNQCLSA-N 1 2 336.436 1.540 20 30 EDEDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000495771997 255323361 /nfs/dbraw/zinc/32/33/61/255323361.db2.gz VYRFSMUPRUTTJM-AWEZNQCLSA-N 1 2 336.436 1.540 20 30 EDEDLO C[C@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)n1cc[nH+]c1 ZINC000496290996 255376054 /nfs/dbraw/zinc/37/60/54/255376054.db2.gz FHPCSSQCEMFRGN-ZIAGYGMSSA-N 1 2 347.419 1.806 20 30 EDEDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccccc2C#N)C[C@H](C)O1 ZINC000119290595 221286891 /nfs/dbraw/zinc/28/68/91/221286891.db2.gz WLVJGSFQSMGCJT-KBPBESRZSA-N 1 2 337.445 1.336 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000264321877 139397093 /nfs/dbraw/zinc/39/70/93/139397093.db2.gz VLZJAQYSFCPDHR-KGLIPLIRSA-N 1 2 347.415 1.171 20 30 EDEDLO C[C@H](CC#N)N(C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000175992222 533602962 /nfs/dbraw/zinc/60/29/62/533602962.db2.gz YXSGSAFBQFEIBK-OAHLLOKOSA-N 1 2 330.432 1.691 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270748666 140161196 /nfs/dbraw/zinc/16/11/96/140161196.db2.gz OEXLOXHYZNSIGQ-BXKDBHETSA-N 1 2 335.795 1.281 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270748666 140161198 /nfs/dbraw/zinc/16/11/98/140161198.db2.gz OEXLOXHYZNSIGQ-BXKDBHETSA-N 1 2 335.795 1.281 20 30 EDEDLO COc1ccc(C[N@@H+]2CCO[C@H](Cn3nc(C)nc3C)C2)cc1C#N ZINC000340148005 142283006 /nfs/dbraw/zinc/28/30/06/142283006.db2.gz YXLHGTXKBCGQBF-KRWDZBQOSA-N 1 2 341.415 1.676 20 30 EDEDLO COc1ccc(C[N@H+]2CCO[C@H](Cn3nc(C)nc3C)C2)cc1C#N ZINC000340148005 142283007 /nfs/dbraw/zinc/28/30/07/142283007.db2.gz YXLHGTXKBCGQBF-KRWDZBQOSA-N 1 2 341.415 1.676 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c1C#N ZINC000346631236 143224081 /nfs/dbraw/zinc/22/40/81/143224081.db2.gz HFRADYZIOOWXRO-UHFFFAOYSA-N 1 2 344.463 1.125 20 30 EDEDLO C[S@](=O)C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000347681500 143349014 /nfs/dbraw/zinc/34/90/14/143349014.db2.gz WYJTYLYKPLVSPU-SRGWNRLKSA-N 1 2 341.436 1.794 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](COC(F)F)C2)cc1 ZINC000353020239 149255817 /nfs/dbraw/zinc/25/58/17/149255817.db2.gz HQASGIWMDFWGRX-CYBMUJFWSA-N 1 2 344.383 1.893 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](COC(F)F)C2)cc1 ZINC000353020239 149255818 /nfs/dbraw/zinc/25/58/18/149255818.db2.gz HQASGIWMDFWGRX-CYBMUJFWSA-N 1 2 344.383 1.893 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000355271067 150193557 /nfs/dbraw/zinc/19/35/57/150193557.db2.gz YHHIKOPPVKCSRQ-DEOSSOPVSA-N 1 2 340.452 1.883 20 30 EDEDLO CN(C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C)c1ccnc(C#N)c1 ZINC000357679208 151113106 /nfs/dbraw/zinc/11/31/06/151113106.db2.gz HNNNADUQFQKIMX-CZUORRHYSA-N 1 2 328.395 1.736 20 30 EDEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cc[nH+]cc3O)C2)n1 ZINC000358364184 151350786 /nfs/dbraw/zinc/35/07/86/151350786.db2.gz YSLNYKWCJKOSOU-CQSZACIVSA-N 1 2 337.383 1.639 20 30 EDEDLO CCCN1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)CC1=O ZINC000364158743 153159692 /nfs/dbraw/zinc/15/96/92/153159692.db2.gz DMRKYTZABCSRPG-UHFFFAOYSA-N 1 2 328.416 1.119 20 30 EDEDLO CCCN1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)CC1=O ZINC000364158743 153159695 /nfs/dbraw/zinc/15/96/95/153159695.db2.gz DMRKYTZABCSRPG-UHFFFAOYSA-N 1 2 328.416 1.119 20 30 EDEDLO Cc1ccccc1-n1cc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)nn1 ZINC000367321156 154077492 /nfs/dbraw/zinc/07/74/92/154077492.db2.gz DGLGQOAQGYHALW-UHFFFAOYSA-N 1 2 348.414 1.876 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1Cl ZINC000367470768 154137652 /nfs/dbraw/zinc/13/76/52/154137652.db2.gz WFXJXXBIGBNPNF-NSHDSACASA-N 1 2 335.763 1.439 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367572965 154181096 /nfs/dbraw/zinc/18/10/96/154181096.db2.gz GRFFLVATWAZWTK-UONOGXRCSA-N 1 2 335.429 1.828 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367572965 154181104 /nfs/dbraw/zinc/18/11/04/154181104.db2.gz GRFFLVATWAZWTK-UONOGXRCSA-N 1 2 335.429 1.828 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000373797405 157008335 /nfs/dbraw/zinc/00/83/35/157008335.db2.gz OQAXUPIWOKLCJW-AEFFLSMTSA-N 1 2 329.400 1.767 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000373797405 157008338 /nfs/dbraw/zinc/00/83/38/157008338.db2.gz OQAXUPIWOKLCJW-AEFFLSMTSA-N 1 2 329.400 1.767 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000378552273 158206252 /nfs/dbraw/zinc/20/62/52/158206252.db2.gz QIVHJKSQXYQUOY-OAHLLOKOSA-N 1 2 337.383 1.385 20 30 EDEDLO CN(C[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1)S(C)(=O)=O ZINC000352543950 162242148 /nfs/dbraw/zinc/24/21/48/162242148.db2.gz LNJMVTXFTPOYEP-CYBMUJFWSA-N 1 2 339.436 1.801 20 30 EDEDLO CN(C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1)S(C)(=O)=O ZINC000352543950 162242150 /nfs/dbraw/zinc/24/21/50/162242150.db2.gz LNJMVTXFTPOYEP-CYBMUJFWSA-N 1 2 339.436 1.801 20 30 EDEDLO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124254198 222399421 /nfs/dbraw/zinc/39/94/21/222399421.db2.gz UPNZQFURFPGBEO-LLVKDONJSA-N 1 2 343.399 1.989 20 30 EDEDLO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124254198 222399425 /nfs/dbraw/zinc/39/94/25/222399425.db2.gz UPNZQFURFPGBEO-LLVKDONJSA-N 1 2 343.399 1.989 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000301158268 269823844 /nfs/dbraw/zinc/82/38/44/269823844.db2.gz SFBDEFLJDUOERN-NSHDSACASA-N 1 2 333.823 1.396 20 30 EDEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[NH+](CCO)CC1 ZINC000428185915 269906975 /nfs/dbraw/zinc/90/69/75/269906975.db2.gz SBCAUILZNSWAKK-UHFFFAOYSA-N 1 2 329.425 1.832 20 30 EDEDLO CC[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000290958278 266396812 /nfs/dbraw/zinc/39/68/12/266396812.db2.gz NIUKXJDNHGAPGL-QGZVFWFLSA-N 1 2 330.432 1.810 20 30 EDEDLO CC[C@H]1CN(C(=O)c2cc(C)c(C#N)cn2)C[C@H]1[NH+]1CCOCC1 ZINC000457618511 267231255 /nfs/dbraw/zinc/23/12/55/267231255.db2.gz ODTDLYUBUHLJKF-WMLDXEAASA-N 1 2 328.416 1.445 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(F)c1O ZINC000272252755 267242211 /nfs/dbraw/zinc/24/22/11/267242211.db2.gz CFMQHDPEBLTFPD-LBPRGKRZSA-N 1 2 327.363 1.904 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(F)c1O ZINC000272252755 267242212 /nfs/dbraw/zinc/24/22/12/267242212.db2.gz CFMQHDPEBLTFPD-LBPRGKRZSA-N 1 2 327.363 1.904 20 30 EDEDLO Cc1cc(NCCNS(=O)(=O)c2ccccc2)c(C#N)c(C)[nH+]1 ZINC000301793967 267346426 /nfs/dbraw/zinc/34/64/26/267346426.db2.gz SCHLWFDZCYTZNH-UHFFFAOYSA-N 1 2 330.413 1.961 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425256414 267363220 /nfs/dbraw/zinc/36/32/20/267363220.db2.gz BLCNARQMEQEMLS-GFCCVEGCSA-N 1 2 332.360 1.763 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425256414 267363222 /nfs/dbraw/zinc/36/32/22/267363222.db2.gz BLCNARQMEQEMLS-GFCCVEGCSA-N 1 2 332.360 1.763 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc(F)c(C#N)c1)C2 ZINC000515710551 268079266 /nfs/dbraw/zinc/07/92/66/268079266.db2.gz REINCEXHFGWPOM-CQSZACIVSA-N 1 2 342.374 1.482 20 30 EDEDLO Cc1noc(C)c1CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000518797338 268096080 /nfs/dbraw/zinc/09/60/80/268096080.db2.gz RTBWRXVLSQNYRO-UHFFFAOYSA-N 1 2 342.399 1.400 20 30 EDEDLO Cc1noc(C23CC(C2)C[N@@H+]3C[C@@H](O)COc2ccccc2C#N)n1 ZINC000528616510 268097321 /nfs/dbraw/zinc/09/73/21/268097321.db2.gz NQKQYKNQBBZKMO-NSWWBONSSA-N 1 2 340.383 1.611 20 30 EDEDLO Cc1noc(C23CC(C2)C[N@H+]3C[C@@H](O)COc2ccccc2C#N)n1 ZINC000528616510 268097322 /nfs/dbraw/zinc/09/73/22/268097322.db2.gz NQKQYKNQBBZKMO-NSWWBONSSA-N 1 2 340.383 1.611 20 30 EDEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)c1C#N ZINC000528509869 268101275 /nfs/dbraw/zinc/10/12/75/268101275.db2.gz QSORTUVSFUDLTE-ZDUSSCGKSA-N 1 2 336.461 1.111 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c(F)c1 ZINC000299385793 268117328 /nfs/dbraw/zinc/11/73/28/268117328.db2.gz YEFLGANZBZZKIY-UHFFFAOYSA-N 1 2 330.407 1.832 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3c(C#N)nnc4ccccc43)CC2)cn1 ZINC000524841295 268127297 /nfs/dbraw/zinc/12/72/97/268127297.db2.gz LOVOYPSKPSSFPF-UHFFFAOYSA-N 1 2 333.399 1.557 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000292783145 268192920 /nfs/dbraw/zinc/19/29/20/268192920.db2.gz YDRCXDQBXSHCFN-LBPRGKRZSA-N 1 2 334.376 1.989 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\[C@@H]3CCOC3)CC2)cc1 ZINC000493420146 268219706 /nfs/dbraw/zinc/21/97/06/268219706.db2.gz NFMRXZMOCHSVII-OOFWQKGWSA-N 1 2 325.412 1.795 20 30 EDEDLO N#Cc1ccc(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1F ZINC000516410758 268229682 /nfs/dbraw/zinc/22/96/82/268229682.db2.gz MKGDMQRCAIWQIK-GASCZTMLSA-N 1 2 332.379 1.360 20 30 EDEDLO N#Cc1ccc(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1F ZINC000516410758 268229684 /nfs/dbraw/zinc/22/96/84/268229684.db2.gz MKGDMQRCAIWQIK-GASCZTMLSA-N 1 2 332.379 1.360 20 30 EDEDLO N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000283898529 268249185 /nfs/dbraw/zinc/24/91/85/268249185.db2.gz HVIPRKSNGOROAS-HNNXBMFYSA-N 1 2 337.383 1.304 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000528355148 268296353 /nfs/dbraw/zinc/29/63/53/268296353.db2.gz MTMLCLYSGZHNIY-HOTGVXAUSA-N 1 2 326.400 1.901 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000528355148 268296354 /nfs/dbraw/zinc/29/63/54/268296354.db2.gz MTMLCLYSGZHNIY-HOTGVXAUSA-N 1 2 326.400 1.901 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)C1=O ZINC000281367598 268304783 /nfs/dbraw/zinc/30/47/83/268304783.db2.gz OFUHOUIEUDXJDQ-AGIUHOORSA-N 1 2 346.412 1.155 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)C1=O ZINC000281367598 268304784 /nfs/dbraw/zinc/30/47/84/268304784.db2.gz OFUHOUIEUDXJDQ-AGIUHOORSA-N 1 2 346.412 1.155 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000516368652 268306394 /nfs/dbraw/zinc/30/63/94/268306394.db2.gz GFEYZINZUXWJEL-AWEZNQCLSA-N 1 2 335.429 1.828 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CCN1C ZINC000275412212 268339067 /nfs/dbraw/zinc/33/90/67/268339067.db2.gz BRLKVLFYKBEUQA-IWAYRVGRSA-N 1 2 335.411 1.820 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000372686835 277907464 /nfs/dbraw/zinc/90/74/64/277907464.db2.gz ZAEQAKZIGWVSKD-KRWDZBQOSA-N 1 2 337.464 1.158 20 30 EDEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000337061134 288070853 /nfs/dbraw/zinc/07/08/53/288070853.db2.gz GZVDESGRODLOGF-SNVBAGLBSA-N 1 2 347.362 1.902 20 30 EDEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000337061134 288070855 /nfs/dbraw/zinc/07/08/55/288070855.db2.gz GZVDESGRODLOGF-SNVBAGLBSA-N 1 2 347.362 1.902 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCN4C(=O)OCC[C@@H]4C3)C2=O)cc1 ZINC000494133403 303194619 /nfs/dbraw/zinc/19/46/19/303194619.db2.gz MFCKIWUCHSJGLG-CVEARBPZSA-N 1 2 340.383 1.190 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCN4C(=O)OCC[C@@H]4C3)C2=O)cc1 ZINC000494133403 303194621 /nfs/dbraw/zinc/19/46/21/303194621.db2.gz MFCKIWUCHSJGLG-CVEARBPZSA-N 1 2 340.383 1.190 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000305109403 303757191 /nfs/dbraw/zinc/75/71/91/303757191.db2.gz CKERMQDEUCGBAP-ZIAGYGMSSA-N 1 2 341.333 1.720 20 30 EDEDLO C[C@H]1C[C@]1(C#N)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000448689239 447341151 /nfs/dbraw/zinc/34/11/51/447341151.db2.gz FWYKEHZSSUNANY-KBXCAEBGSA-N 1 2 330.407 1.614 20 30 EDEDLO Cc1cc(NC(=O)C[N@@H+]2CCc3sccc3C2)nn1CCC#N ZINC000378359808 447421996 /nfs/dbraw/zinc/42/19/96/447421996.db2.gz ZOSTXWPTHWAGRR-UHFFFAOYSA-N 1 2 329.429 2.164 20 30 EDEDLO Cc1cc(NC(=O)C[N@H+]2CCc3sccc3C2)nn1CCC#N ZINC000378359808 447422001 /nfs/dbraw/zinc/42/20/01/447422001.db2.gz ZOSTXWPTHWAGRR-UHFFFAOYSA-N 1 2 329.429 2.164 20 30 EDEDLO COC(=O)c1coc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000450239071 447437420 /nfs/dbraw/zinc/43/74/20/447437420.db2.gz CTVAAXYBQISGOW-UHFFFAOYSA-N 1 2 340.383 1.651 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000047931791 441239115 /nfs/dbraw/zinc/23/91/15/441239115.db2.gz XQTACINWSCRIHX-CYBMUJFWSA-N 1 2 348.428 1.166 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1c[nH]c2ccccc12 ZINC000060633749 441254057 /nfs/dbraw/zinc/25/40/57/441254057.db2.gz DEXGYIKEMIYUSX-UHFFFAOYSA-N 1 2 340.427 1.785 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000048045460 441254289 /nfs/dbraw/zinc/25/42/89/441254289.db2.gz VCGIUNRFDHNSKW-GOSISDBHSA-N 1 2 336.480 1.764 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000048045460 441254295 /nfs/dbraw/zinc/25/42/95/441254295.db2.gz VCGIUNRFDHNSKW-GOSISDBHSA-N 1 2 336.480 1.764 20 30 EDEDLO CCOc1ccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000060634150 441255374 /nfs/dbraw/zinc/25/53/74/441255374.db2.gz ZXFZRJOMHANKCE-UHFFFAOYSA-N 1 2 345.443 1.702 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)cc1 ZINC000081514956 441280117 /nfs/dbraw/zinc/28/01/17/441280117.db2.gz CRPKEZVZGLOYGC-DLBZAZTESA-N 1 2 334.441 1.975 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCO[C@@H]3CCC[C@@H]32)cc1 ZINC000081514956 441280119 /nfs/dbraw/zinc/28/01/19/441280119.db2.gz CRPKEZVZGLOYGC-DLBZAZTESA-N 1 2 334.441 1.975 20 30 EDEDLO Cc1ccccc1NC(=O)CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000081531562 441284316 /nfs/dbraw/zinc/28/43/16/441284316.db2.gz ZFEZIDIILIJZBC-UHFFFAOYSA-N 1 2 344.459 1.872 20 30 EDEDLO Cc1ccccc1NC(=O)CC[N@H+](CCC#N)CCN1CCOCC1 ZINC000081531562 441284321 /nfs/dbraw/zinc/28/43/21/441284321.db2.gz ZFEZIDIILIJZBC-UHFFFAOYSA-N 1 2 344.459 1.872 20 30 EDEDLO Cc1ccccc1NC(=O)CC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000081531562 441284326 /nfs/dbraw/zinc/28/43/26/441284326.db2.gz ZFEZIDIILIJZBC-UHFFFAOYSA-N 1 2 344.459 1.872 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000064248361 441367623 /nfs/dbraw/zinc/36/76/23/441367623.db2.gz PEYGHSPDCGYVLZ-HNNXBMFYSA-N 1 2 347.463 1.420 20 30 EDEDLO CC[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@@H](C)C#N ZINC000064248819 441368254 /nfs/dbraw/zinc/36/82/54/441368254.db2.gz JIDFUGGLHXUIOV-AWEZNQCLSA-N 1 2 332.404 1.046 20 30 EDEDLO CC[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@@H](C)C#N ZINC000064248819 441368259 /nfs/dbraw/zinc/36/82/59/441368259.db2.gz JIDFUGGLHXUIOV-AWEZNQCLSA-N 1 2 332.404 1.046 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000051426385 441410671 /nfs/dbraw/zinc/41/06/71/441410671.db2.gz LIGWVOIIEDOCRG-MRXNPFEDSA-N 1 2 344.459 1.825 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000074158313 441400339 /nfs/dbraw/zinc/40/03/39/441400339.db2.gz JSTSXZSROBCODD-GFCCVEGCSA-N 1 2 331.445 1.504 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000052834316 441478728 /nfs/dbraw/zinc/47/87/28/441478728.db2.gz AJKAAVAPUNOWHY-KRWDZBQOSA-N 1 2 327.428 1.750 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000052834316 441478733 /nfs/dbraw/zinc/47/87/33/441478733.db2.gz AJKAAVAPUNOWHY-KRWDZBQOSA-N 1 2 327.428 1.750 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000066435505 441531800 /nfs/dbraw/zinc/53/18/00/441531800.db2.gz KCKZWUYZLHLJKT-UHFFFAOYSA-N 1 2 333.819 1.237 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000066435505 441531804 /nfs/dbraw/zinc/53/18/04/441531804.db2.gz KCKZWUYZLHLJKT-UHFFFAOYSA-N 1 2 333.819 1.237 20 30 EDEDLO C=CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000066559395 441542997 /nfs/dbraw/zinc/54/29/97/441542997.db2.gz PVOMCNSZAUDMBE-CYBMUJFWSA-N 1 2 340.401 1.649 20 30 EDEDLO C=CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000066559395 441543000 /nfs/dbraw/zinc/54/30/00/441543000.db2.gz PVOMCNSZAUDMBE-CYBMUJFWSA-N 1 2 340.401 1.649 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])cnc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000075676778 441547265 /nfs/dbraw/zinc/54/72/65/441547265.db2.gz OUYVKQQNUCPUJO-HNNXBMFYSA-N 1 2 349.416 1.481 20 30 EDEDLO C[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000075680918 441548629 /nfs/dbraw/zinc/54/86/29/441548629.db2.gz NCNMRUGQKFYSCW-MRXNPFEDSA-N 1 2 349.438 1.953 20 30 EDEDLO Cc1nn(C)c(Cl)c1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000066155413 441507659 /nfs/dbraw/zinc/50/76/59/441507659.db2.gz XQWLHAISLQVJGF-UHFFFAOYSA-N 1 2 330.823 1.971 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000032758422 441570270 /nfs/dbraw/zinc/57/02/70/441570270.db2.gz ZCGYLHFTGYTKPG-OAHLLOKOSA-N 1 2 348.447 1.408 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000032758422 441570273 /nfs/dbraw/zinc/57/02/73/441570273.db2.gz ZCGYLHFTGYTKPG-OAHLLOKOSA-N 1 2 348.447 1.408 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000067117931 441606040 /nfs/dbraw/zinc/60/60/40/441606040.db2.gz GBUSMSXSFPLJON-OAHLLOKOSA-N 1 2 337.489 1.227 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000067117931 441606045 /nfs/dbraw/zinc/60/60/45/441606045.db2.gz GBUSMSXSFPLJON-OAHLLOKOSA-N 1 2 337.489 1.227 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC000158556342 441745569 /nfs/dbraw/zinc/74/55/69/441745569.db2.gz FDAIQOHWEILDKV-QGZVFWFLSA-N 1 2 349.390 1.933 20 30 EDEDLO C#CCN(CC)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000056595093 441727697 /nfs/dbraw/zinc/72/76/97/441727697.db2.gz DQOCZZNWCBSUOM-UHFFFAOYSA-N 1 2 342.443 1.754 20 30 EDEDLO C=CC[N@@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361014 441794832 /nfs/dbraw/zinc/79/48/32/441794832.db2.gz BQISGNLYHFZAIL-INIZCTEOSA-N 1 2 346.456 1.751 20 30 EDEDLO C=CC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361014 441794834 /nfs/dbraw/zinc/79/48/34/441794834.db2.gz BQISGNLYHFZAIL-INIZCTEOSA-N 1 2 346.456 1.751 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CCC#N)CC2CC2)CC1 ZINC000092618970 441814619 /nfs/dbraw/zinc/81/46/19/441814619.db2.gz SQANSEZVWMZIBC-KRWDZBQOSA-N 1 2 331.464 1.304 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000092618970 441814626 /nfs/dbraw/zinc/81/46/26/441814626.db2.gz SQANSEZVWMZIBC-KRWDZBQOSA-N 1 2 331.464 1.304 20 30 EDEDLO C=CCSCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000077831642 441872782 /nfs/dbraw/zinc/87/27/82/441872782.db2.gz SQLBNZUCZJYHCZ-UHFFFAOYSA-N 1 2 330.413 1.846 20 30 EDEDLO NC(=[NH+]OCc1nnnn1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000122049422 441831444 /nfs/dbraw/zinc/83/14/44/441831444.db2.gz DQMYCBOCRZYKFQ-UHFFFAOYSA-N 1 2 326.282 1.864 20 30 EDEDLO N#C[C@H]1CCC[C@H]1NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000458660642 447443078 /nfs/dbraw/zinc/44/30/78/447443078.db2.gz WBCUPNCBXVZZCT-NVXWUHKLSA-N 1 2 346.431 1.816 20 30 EDEDLO CC(C)(C#N)c1ccc(NC(=O)NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000119928677 441977398 /nfs/dbraw/zinc/97/73/98/441977398.db2.gz YIOOLVSDEVDZPX-INIZCTEOSA-N 1 2 346.431 1.302 20 30 EDEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000161008608 441946624 /nfs/dbraw/zinc/94/66/24/441946624.db2.gz KLTCBRUWMHBAIZ-LJQANCHMSA-N 1 2 342.439 1.912 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000150810026 441954547 /nfs/dbraw/zinc/95/45/47/441954547.db2.gz OGROFCSJBWHMMP-UHFFFAOYSA-N 1 2 332.404 1.487 20 30 EDEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 ZINC000078636177 441956957 /nfs/dbraw/zinc/95/69/57/441956957.db2.gz LCLXKLZVKWDSIC-UHFFFAOYSA-N 1 2 337.445 1.516 20 30 EDEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)ccc1F ZINC000119847025 441963843 /nfs/dbraw/zinc/96/38/43/441963843.db2.gz IGELFNFLEVNTAQ-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1cc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)ccc1F ZINC000119847025 441963850 /nfs/dbraw/zinc/96/38/50/441963850.db2.gz IGELFNFLEVNTAQ-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000125162552 441990933 /nfs/dbraw/zinc/99/09/33/441990933.db2.gz LJIKANCSBNGQIS-CQSZACIVSA-N 1 2 334.807 1.751 20 30 EDEDLO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000125162552 441990937 /nfs/dbraw/zinc/99/09/37/441990937.db2.gz LJIKANCSBNGQIS-CQSZACIVSA-N 1 2 334.807 1.751 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000120121417 442011903 /nfs/dbraw/zinc/01/19/03/442011903.db2.gz BKAGHLPWMNPTSZ-GUYCJALGSA-N 1 2 336.436 1.394 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000120121417 442011908 /nfs/dbraw/zinc/01/19/08/442011908.db2.gz BKAGHLPWMNPTSZ-GUYCJALGSA-N 1 2 336.436 1.394 20 30 EDEDLO Cn1ncc(CN(CCC#N)CC[NH+]2CCOCC2)c1C(F)(F)F ZINC000151688498 442107064 /nfs/dbraw/zinc/10/70/64/442107064.db2.gz CZWICIMNGRICGT-UHFFFAOYSA-N 1 2 345.369 1.487 20 30 EDEDLO COC(=O)[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C(C)(C)C ZINC000127589471 442213836 /nfs/dbraw/zinc/21/38/36/442213836.db2.gz BFRLPJJZVSXSBF-GOEBONIOSA-N 1 2 334.416 1.670 20 30 EDEDLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000128242644 442255020 /nfs/dbraw/zinc/25/50/20/442255020.db2.gz YMQRYAKDYDBDAV-GXFFZTMASA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000128242644 442255021 /nfs/dbraw/zinc/25/50/21/442255021.db2.gz YMQRYAKDYDBDAV-GXFFZTMASA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNc1ncc(Br)cc1C#N ZINC000450310712 447448457 /nfs/dbraw/zinc/44/84/57/447448457.db2.gz BHDMKKPJZOTDQK-JTQLQIEISA-N 1 2 325.210 1.848 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNc1ncc(Br)cc1C#N ZINC000450310712 447448462 /nfs/dbraw/zinc/44/84/62/447448462.db2.gz BHDMKKPJZOTDQK-JTQLQIEISA-N 1 2 325.210 1.848 20 30 EDEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC(=O)NCC ZINC000129717406 442329254 /nfs/dbraw/zinc/32/92/54/442329254.db2.gz ARBVCTPIOJDBPY-LBPRGKRZSA-N 1 2 334.376 1.817 20 30 EDEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)NC(=O)NCC ZINC000129717406 442329256 /nfs/dbraw/zinc/32/92/56/442329256.db2.gz ARBVCTPIOJDBPY-LBPRGKRZSA-N 1 2 334.376 1.817 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000186355703 442518174 /nfs/dbraw/zinc/51/81/74/442518174.db2.gz YZEOLWBISSQNMA-ZDUSSCGKSA-N 1 2 326.400 1.042 20 30 EDEDLO Cc1ccc(F)c(OCC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000157561496 442592929 /nfs/dbraw/zinc/59/29/29/442592929.db2.gz FHQNMAUJIOJKAT-UHFFFAOYSA-N 1 2 349.406 1.587 20 30 EDEDLO N#Cc1cc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)ccc1F ZINC000135694441 442625581 /nfs/dbraw/zinc/62/55/81/442625581.db2.gz ZQTFKFOTHMBYCZ-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1cc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)ccc1F ZINC000135694441 442625586 /nfs/dbraw/zinc/62/55/86/442625586.db2.gz ZQTFKFOTHMBYCZ-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO CCCC[N@H+](CC(N)=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192545831 442661164 /nfs/dbraw/zinc/66/11/64/442661164.db2.gz RKCVXWXHQWTGQF-INIZCTEOSA-N 1 2 328.416 1.641 20 30 EDEDLO CCCC[N@@H+](CC(N)=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192545831 442661166 /nfs/dbraw/zinc/66/11/66/442661166.db2.gz RKCVXWXHQWTGQF-INIZCTEOSA-N 1 2 328.416 1.641 20 30 EDEDLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000193203594 442722310 /nfs/dbraw/zinc/72/23/10/442722310.db2.gz ARYXJCMEFDOIMK-UHFFFAOYSA-N 1 2 343.836 1.164 20 30 EDEDLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000194024241 442832418 /nfs/dbraw/zinc/83/24/18/442832418.db2.gz KPVGXQZAAJVDGZ-OKILXGFUSA-N 1 2 337.445 1.288 20 30 EDEDLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000194024241 442832422 /nfs/dbraw/zinc/83/24/22/442832422.db2.gz KPVGXQZAAJVDGZ-OKILXGFUSA-N 1 2 337.445 1.288 20 30 EDEDLO COC(=O)c1ccc(CO[NH+]=C(N)C(C)(C)NC(C)=O)cc1F ZINC000268065517 442834561 /nfs/dbraw/zinc/83/45/61/442834561.db2.gz HDDZNYLJAWDVQT-UHFFFAOYSA-N 1 2 325.340 1.316 20 30 EDEDLO CC(=O)Nc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000247939090 442873565 /nfs/dbraw/zinc/87/35/65/442873565.db2.gz MJSQUCNEFSTKBS-UHFFFAOYSA-N 1 2 344.415 1.333 20 30 EDEDLO CCc1noc(C)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000268155172 442874375 /nfs/dbraw/zinc/87/43/75/442874375.db2.gz HXVOKVBZURLDBS-GFCCVEGCSA-N 1 2 326.404 1.918 20 30 EDEDLO CCc1noc(C)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000268155172 442874378 /nfs/dbraw/zinc/87/43/78/442874378.db2.gz HXVOKVBZURLDBS-GFCCVEGCSA-N 1 2 326.404 1.918 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189694913 442994178 /nfs/dbraw/zinc/99/41/78/442994178.db2.gz UOTSCBYMOGRFHS-CQSZACIVSA-N 1 2 344.463 1.417 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000255419563 443098333 /nfs/dbraw/zinc/09/83/33/443098333.db2.gz SJZKXUSVIQSNOL-DAXSKMNVSA-N 1 2 329.400 1.393 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000184840980 443084732 /nfs/dbraw/zinc/08/47/32/443084732.db2.gz XKJSPTDHDATYSJ-KBPBESRZSA-N 1 2 341.419 1.321 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190730961 443172352 /nfs/dbraw/zinc/17/23/52/443172352.db2.gz WDVYJQYJVOHTLV-CQSZACIVSA-N 1 2 338.452 1.738 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190730961 443172355 /nfs/dbraw/zinc/17/23/55/443172355.db2.gz WDVYJQYJVOHTLV-CQSZACIVSA-N 1 2 338.452 1.738 20 30 EDEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000278759574 443428423 /nfs/dbraw/zinc/42/84/23/443428423.db2.gz XTVYYEMYPJRWIQ-DZGCQCFKSA-N 1 2 337.420 1.824 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1)c1cccc(Cl)c1 ZINC000270646163 443477922 /nfs/dbraw/zinc/47/79/22/443477922.db2.gz NWXONSGTHHQZAB-CYBMUJFWSA-N 1 2 349.822 1.329 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1)c1cccc(Cl)c1 ZINC000270646163 443477926 /nfs/dbraw/zinc/47/79/26/443477926.db2.gz NWXONSGTHHQZAB-CYBMUJFWSA-N 1 2 349.822 1.329 20 30 EDEDLO Cc1cc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1CCC#N ZINC000272137564 443537448 /nfs/dbraw/zinc/53/74/48/443537448.db2.gz VYHYWZPWTSRQFF-UHFFFAOYSA-N 1 2 339.403 1.854 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279357958 443563545 /nfs/dbraw/zinc/56/35/45/443563545.db2.gz GXNDIXAXTCTNRQ-UHFFFAOYSA-N 1 2 338.415 1.523 20 30 EDEDLO C#CC[N@@H+](CC(=O)N(CC)CC(=O)NCc1cccs1)C1CC1 ZINC000274230634 443599663 /nfs/dbraw/zinc/59/96/63/443599663.db2.gz WPKNJBDKKMKEMZ-UHFFFAOYSA-N 1 2 333.457 1.310 20 30 EDEDLO C#CC[N@H+](CC(=O)N(CC)CC(=O)NCc1cccs1)C1CC1 ZINC000274230634 443599664 /nfs/dbraw/zinc/59/96/64/443599664.db2.gz WPKNJBDKKMKEMZ-UHFFFAOYSA-N 1 2 333.457 1.310 20 30 EDEDLO C#CCN(C)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000283610626 443672633 /nfs/dbraw/zinc/67/26/33/443672633.db2.gz NAEGYXHUUAEJQZ-AWEZNQCLSA-N 1 2 329.400 1.110 20 30 EDEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccnc(C#N)c3)CC2)C1 ZINC000283678697 443688576 /nfs/dbraw/zinc/68/85/76/443688576.db2.gz XJJUSHOSFJQQNH-HOTGVXAUSA-N 1 2 341.459 1.580 20 30 EDEDLO C=C[C@H](CO)NC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000290922358 443712187 /nfs/dbraw/zinc/71/21/87/443712187.db2.gz FKWLJQWKWIQUCO-KGLIPLIRSA-N 1 2 339.461 1.276 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1cc(C#N)ccn1 ZINC000290990046 443728035 /nfs/dbraw/zinc/72/80/35/443728035.db2.gz SYTKOOBHRPEDSP-HOTGVXAUSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1cc(C#N)ccn1 ZINC000290990046 443728040 /nfs/dbraw/zinc/72/80/40/443728040.db2.gz SYTKOOBHRPEDSP-HOTGVXAUSA-N 1 2 328.395 1.736 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C)CC1 ZINC000283813145 443729174 /nfs/dbraw/zinc/72/91/74/443729174.db2.gz OZRBRFVMMYAJIL-AWEZNQCLSA-N 1 2 343.406 1.849 20 30 EDEDLO N#Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c[nH]1 ZINC000280650516 443739846 /nfs/dbraw/zinc/73/98/46/443739846.db2.gz OCHDCDKXXUGVRM-MSOLQXFVSA-N 1 2 336.395 1.612 20 30 EDEDLO N#Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c[nH]1 ZINC000280650516 443739849 /nfs/dbraw/zinc/73/98/49/443739849.db2.gz OCHDCDKXXUGVRM-MSOLQXFVSA-N 1 2 336.395 1.612 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC000287453097 443744710 /nfs/dbraw/zinc/74/47/10/443744710.db2.gz MRJJTFZDEFGLAN-QGZVFWFLSA-N 1 2 330.428 1.816 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC000287453097 443744712 /nfs/dbraw/zinc/74/47/12/443744712.db2.gz MRJJTFZDEFGLAN-QGZVFWFLSA-N 1 2 330.428 1.816 20 30 EDEDLO Cc1nsc(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)c1C#N ZINC000291131843 443750228 /nfs/dbraw/zinc/75/02/28/443750228.db2.gz OFHHSLMUNPKSFU-UHFFFAOYSA-N 1 2 330.417 1.328 20 30 EDEDLO Cc1nsc(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)c1C#N ZINC000291131843 443750229 /nfs/dbraw/zinc/75/02/29/443750229.db2.gz OFHHSLMUNPKSFU-UHFFFAOYSA-N 1 2 330.417 1.328 20 30 EDEDLO C[C@@H](NC(=O)C(=O)N(C)Cc1[nH+]ccn1C)c1ccc(C#N)cc1 ZINC000283951254 443758800 /nfs/dbraw/zinc/75/88/00/443758800.db2.gz KNVHXBNAVZKARI-GFCCVEGCSA-N 1 2 325.372 1.128 20 30 EDEDLO C#CCNc1nc(NCCC[C@@H](C)O)[nH+]c(NCCC[C@H](C)O)n1 ZINC000287903080 443759739 /nfs/dbraw/zinc/75/97/39/443759739.db2.gz VLONXNCEEJPKIX-BETUJISGSA-N 1 2 336.440 1.063 20 30 EDEDLO C#CCNc1nc(NCCC[C@@H](C)O)nc(NCCC[C@H](C)O)[nH+]1 ZINC000287903080 443759744 /nfs/dbraw/zinc/75/97/44/443759744.db2.gz VLONXNCEEJPKIX-BETUJISGSA-N 1 2 336.440 1.063 20 30 EDEDLO C#CCNc1nc(NCCC[C@H](C)O)nc(NCCC[C@@H](C)O)[nH+]1 ZINC000287903080 443759750 /nfs/dbraw/zinc/75/97/50/443759750.db2.gz VLONXNCEEJPKIX-BETUJISGSA-N 1 2 336.440 1.063 20 30 EDEDLO CN(CCOc1ccccc1F)C(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284098311 443765365 /nfs/dbraw/zinc/76/53/65/443765365.db2.gz LCNGNXHIXSENCC-AWEZNQCLSA-N 1 2 339.367 1.131 20 30 EDEDLO CN(C)C(=O)COC[C@@H]1C[N@H+](CC#Cc2ccccc2)CC(C)(C)O1 ZINC000284577971 443780609 /nfs/dbraw/zinc/78/06/09/443780609.db2.gz OYDFIUPPNAXVBU-SFHVURJKSA-N 1 2 344.455 1.622 20 30 EDEDLO CN(C)C(=O)COC[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC(C)(C)O1 ZINC000284577971 443780612 /nfs/dbraw/zinc/78/06/12/443780612.db2.gz OYDFIUPPNAXVBU-SFHVURJKSA-N 1 2 344.455 1.622 20 30 EDEDLO C=CCN1CC[C@H](N(C)c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C1=O ZINC000292980486 443894976 /nfs/dbraw/zinc/89/49/76/443894976.db2.gz HVJYBFQRAYUGOV-CABCVRRESA-N 1 2 329.448 1.936 20 30 EDEDLO C=CCN1CC[C@H](N(C)c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)C1=O ZINC000292980486 443894981 /nfs/dbraw/zinc/89/49/81/443894981.db2.gz HVJYBFQRAYUGOV-CABCVRRESA-N 1 2 329.448 1.936 20 30 EDEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299046630 443937958 /nfs/dbraw/zinc/93/79/58/443937958.db2.gz KPRPYXZMPRCQBM-INIZCTEOSA-N 1 2 341.459 1.722 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccc(OC)c2)C1=O ZINC000281451289 443915147 /nfs/dbraw/zinc/91/51/47/443915147.db2.gz UQLWTSMRCGMKCT-MRXNPFEDSA-N 1 2 331.416 1.030 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCc2cccc(OC)c2)C1=O ZINC000281451289 443915150 /nfs/dbraw/zinc/91/51/50/443915150.db2.gz UQLWTSMRCGMKCT-MRXNPFEDSA-N 1 2 331.416 1.030 20 30 EDEDLO C#CCNC(=O)CC[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000293065776 443916368 /nfs/dbraw/zinc/91/63/68/443916368.db2.gz LLHAVNZDLHBLIZ-UHFFFAOYSA-N 1 2 333.819 1.124 20 30 EDEDLO C#CCNC(=O)CC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000293065776 443916373 /nfs/dbraw/zinc/91/63/73/443916373.db2.gz LLHAVNZDLHBLIZ-UHFFFAOYSA-N 1 2 333.819 1.124 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1=O ZINC000281521047 443934933 /nfs/dbraw/zinc/93/49/33/443934933.db2.gz ZIIJSXADMAWYKE-OAHLLOKOSA-N 1 2 346.387 1.560 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1=O ZINC000281521047 443934934 /nfs/dbraw/zinc/93/49/34/443934934.db2.gz ZIIJSXADMAWYKE-OAHLLOKOSA-N 1 2 346.387 1.560 20 30 EDEDLO COc1ccc(O)c(/C=[NH+]/C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 ZINC000285594103 444040538 /nfs/dbraw/zinc/04/05/38/444040538.db2.gz UCQYKNSATHNKBW-UYCCVFBRSA-N 1 2 340.445 1.928 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000281815563 444013319 /nfs/dbraw/zinc/01/33/19/444013319.db2.gz SLKDMCDKSQGXAK-HZSPNIEDSA-N 1 2 325.438 1.102 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)C1=O ZINC000281875945 444029127 /nfs/dbraw/zinc/02/91/27/444029127.db2.gz CONBGEGKWICCLZ-GJZGRUSLSA-N 1 2 329.448 1.928 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)C1=O ZINC000281875945 444029130 /nfs/dbraw/zinc/02/91/30/444029130.db2.gz CONBGEGKWICCLZ-GJZGRUSLSA-N 1 2 329.448 1.928 20 30 EDEDLO N#CCCOCC[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000293568381 444056496 /nfs/dbraw/zinc/05/64/96/444056496.db2.gz SONYEZCBOWSTJE-UHFFFAOYSA-N 1 2 335.379 1.279 20 30 EDEDLO N#Cc1cc(F)ccc1CS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000562548395 321062023 /nfs/dbraw/zinc/06/20/23/321062023.db2.gz VGGFWFQZOYDNHY-UHFFFAOYSA-N 1 2 336.392 1.794 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccc(F)c3)CC2)C1=O ZINC000282114976 444090123 /nfs/dbraw/zinc/09/01/23/444090123.db2.gz XFSRURCPKYFHBV-INIZCTEOSA-N 1 2 331.391 1.370 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)C(=O)Nc2cccc(C#N)n2)CC1(C)C ZINC000567832668 321260138 /nfs/dbraw/zinc/26/01/38/321260138.db2.gz JBDKZBPXJCDVSI-ZDUSSCGKSA-N 1 2 338.371 1.235 20 30 EDEDLO CN(C)c1ccc(CNS(=O)(=O)Cc2ccc(F)cc2C#N)c[nH+]1 ZINC000294295204 444110684 /nfs/dbraw/zinc/11/06/84/444110684.db2.gz HJXMDWFUJQFOTP-UHFFFAOYSA-N 1 2 348.403 1.778 20 30 EDEDLO C=CCOc1ccc(CNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)cc1 ZINC000285936033 444157365 /nfs/dbraw/zinc/15/73/65/444157365.db2.gz MMLXSHDEALDGFV-QGZVFWFLSA-N 1 2 328.416 1.904 20 30 EDEDLO Cc1nsc(N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)c1C#N ZINC000289553236 444170315 /nfs/dbraw/zinc/17/03/15/444170315.db2.gz GIYNEBGRXJWTBG-LLVKDONJSA-N 1 2 329.433 1.406 20 30 EDEDLO Cc1nsc(N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)c1C#N ZINC000289553236 444170317 /nfs/dbraw/zinc/17/03/17/444170317.db2.gz GIYNEBGRXJWTBG-LLVKDONJSA-N 1 2 329.433 1.406 20 30 EDEDLO Cc1cc(NC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)ncc1C#N ZINC000575813922 321529019 /nfs/dbraw/zinc/52/90/19/321529019.db2.gz DBAZUHJEMNVREB-UHFFFAOYSA-N 1 2 340.387 1.369 20 30 EDEDLO C=CCC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000305069066 444256862 /nfs/dbraw/zinc/25/68/62/444256862.db2.gz IUQDZNSKVAAPSG-LBPRGKRZSA-N 1 2 339.417 1.741 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(C(=O)NCCO)c3)n2c1 ZINC000305194699 444264073 /nfs/dbraw/zinc/26/40/73/444264073.db2.gz VZVMRMZKZZGLHZ-UHFFFAOYSA-N 1 2 335.367 1.540 20 30 EDEDLO C=CCNC(=O)C[NH2+]Cc1ncc(I)s1 ZINC000308890152 444289454 /nfs/dbraw/zinc/28/94/54/444289454.db2.gz WFPHYYDNNFQACX-UHFFFAOYSA-N 1 2 337.186 1.140 20 30 EDEDLO C[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)N(CCC#N)CCC#N ZINC000297528823 444297503 /nfs/dbraw/zinc/29/75/03/444297503.db2.gz XMHXSMGZCBAORG-UHFFFAOYSA-N 1 2 337.424 1.099 20 30 EDEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)N(CCC#N)CCC#N ZINC000297528823 444297504 /nfs/dbraw/zinc/29/75/04/444297504.db2.gz XMHXSMGZCBAORG-UHFFFAOYSA-N 1 2 337.424 1.099 20 30 EDEDLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000328788367 444352527 /nfs/dbraw/zinc/35/25/27/444352527.db2.gz KBZWTLDFHRUOSY-IMJJTQAJSA-N 1 2 337.464 1.843 20 30 EDEDLO C[C@H](NC(=O)CC1CCCCC1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000328788367 444352529 /nfs/dbraw/zinc/35/25/29/444352529.db2.gz KBZWTLDFHRUOSY-IMJJTQAJSA-N 1 2 337.464 1.843 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@H](CO)O[C@@H](C)C2)c(C)c1 ZINC000331008277 444356715 /nfs/dbraw/zinc/35/67/15/444356715.db2.gz YKHFCFBLIMWHTA-SOUVJXGZSA-N 1 2 349.431 1.435 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@H](CO)O[C@@H](C)C2)c(C)c1 ZINC000331008277 444356717 /nfs/dbraw/zinc/35/67/17/444356717.db2.gz YKHFCFBLIMWHTA-SOUVJXGZSA-N 1 2 349.431 1.435 20 30 EDEDLO CC[C@H](C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O)[N@@H+]1CCO[C@H](CC)C1 ZINC000328802523 444358114 /nfs/dbraw/zinc/35/81/14/444358114.db2.gz ZZQCYKMZHFPMOF-HZSPNIEDSA-N 1 2 339.436 1.368 20 30 EDEDLO CC[C@H](C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O)[N@H+]1CCO[C@H](CC)C1 ZINC000328802523 444358117 /nfs/dbraw/zinc/35/81/17/444358117.db2.gz ZZQCYKMZHFPMOF-HZSPNIEDSA-N 1 2 339.436 1.368 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000340210322 444369644 /nfs/dbraw/zinc/36/96/44/444369644.db2.gz LBYOWVFMJXBNMY-HNNXBMFYSA-N 1 2 325.453 1.028 20 30 EDEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328842532 444370455 /nfs/dbraw/zinc/37/04/55/444370455.db2.gz QCMDUUZIWSWPBM-WBVHZDCISA-N 1 2 346.431 1.489 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CCN(C(C)=O)C2)c1C ZINC000331041909 444371372 /nfs/dbraw/zinc/37/13/72/444371372.db2.gz QWHNIMQIUFVSLC-AWEZNQCLSA-N 1 2 334.420 1.674 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCNC2=O)c1C ZINC000340222811 444371800 /nfs/dbraw/zinc/37/18/00/444371800.db2.gz YMKXEMLPMNBWCC-INIZCTEOSA-N 1 2 328.416 1.370 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCNC2=O)c1C ZINC000340222811 444371805 /nfs/dbraw/zinc/37/18/05/444371805.db2.gz YMKXEMLPMNBWCC-INIZCTEOSA-N 1 2 328.416 1.370 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@H]1CCNC1=O ZINC000340222044 444372250 /nfs/dbraw/zinc/37/22/50/444372250.db2.gz UAWCDXIVBDJFCZ-DOMZBBRYSA-N 1 2 332.379 1.281 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@H]1CCNC1=O ZINC000340222044 444372252 /nfs/dbraw/zinc/37/22/52/444372252.db2.gz UAWCDXIVBDJFCZ-DOMZBBRYSA-N 1 2 332.379 1.281 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C[C@H]21 ZINC000328847780 444373532 /nfs/dbraw/zinc/37/35/32/444373532.db2.gz ASNSFIBFYYGSLS-UTSKFRMZSA-N 1 2 349.475 1.653 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C[C@H]21 ZINC000328847780 444373535 /nfs/dbraw/zinc/37/35/35/444373535.db2.gz ASNSFIBFYYGSLS-UTSKFRMZSA-N 1 2 349.475 1.653 20 30 EDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N(C)C[C@@H](C)C#N ZINC000297774648 444332421 /nfs/dbraw/zinc/33/24/21/444332421.db2.gz NATAFXMMOXSRGN-KBPBESRZSA-N 1 2 331.420 1.575 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC000290895390 444335864 /nfs/dbraw/zinc/33/58/64/444335864.db2.gz BVMUXRBVQPWVSB-ZIAGYGMSSA-N 1 2 330.436 1.444 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)C ZINC000290895390 444335866 /nfs/dbraw/zinc/33/58/66/444335866.db2.gz BVMUXRBVQPWVSB-ZIAGYGMSSA-N 1 2 330.436 1.444 20 30 EDEDLO Cc1noc([C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C2CCOCC2)n1 ZINC000328952886 444421022 /nfs/dbraw/zinc/42/10/22/444421022.db2.gz IBYPENWUILEQNZ-ZDUSSCGKSA-N 1 2 337.380 1.468 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000328954995 444422333 /nfs/dbraw/zinc/42/23/33/444422333.db2.gz OQYQPZKZXUFZES-QLFBSQMISA-N 1 2 338.452 1.452 20 30 EDEDLO CC(C)(C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O)[NH+]1CCOCC1 ZINC000328675367 444424700 /nfs/dbraw/zinc/42/47/00/444424700.db2.gz KOTBYMYQEWDFLI-ZBEGNZNMSA-N 1 2 338.408 1.477 20 30 EDEDLO C=CCn1c(-c2cccn2C)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000337823545 444424905 /nfs/dbraw/zinc/42/49/05/444424905.db2.gz UBLOVVMQARWBEJ-OAHLLOKOSA-N 1 2 342.447 1.381 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298134407 444425225 /nfs/dbraw/zinc/42/52/25/444425225.db2.gz QJFDQPAKZGUPSV-UHFFFAOYSA-N 1 2 345.403 1.312 20 30 EDEDLO Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328890823 444389984 /nfs/dbraw/zinc/38/99/84/444389984.db2.gz RYGFFRZYQNGWQL-FVQBIDKESA-N 1 2 333.436 1.116 20 30 EDEDLO Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328890823 444389988 /nfs/dbraw/zinc/38/99/88/444389988.db2.gz RYGFFRZYQNGWQL-FVQBIDKESA-N 1 2 333.436 1.116 20 30 EDEDLO CN1CCN(S(=O)(=O)c2cccc(F)c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328617887 444395407 /nfs/dbraw/zinc/39/54/07/444395407.db2.gz DDRQKXSJCMFSPF-CYBMUJFWSA-N 1 2 349.391 1.098 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+](CCC1CCCCC1)CC(N)=O)C1CC1 ZINC000337767856 444396690 /nfs/dbraw/zinc/39/66/90/444396690.db2.gz DRIXRIYTDAFFHM-GOSISDBHSA-N 1 2 334.464 1.553 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+](CCC1CCCCC1)CC(N)=O)C1CC1 ZINC000337767856 444396694 /nfs/dbraw/zinc/39/66/94/444396694.db2.gz DRIXRIYTDAFFHM-GOSISDBHSA-N 1 2 334.464 1.553 20 30 EDEDLO C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328910847 444398598 /nfs/dbraw/zinc/39/85/98/444398598.db2.gz NTRVJMBLYVHHRV-IMJJTQAJSA-N 1 2 331.416 1.311 20 30 EDEDLO C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328910847 444398601 /nfs/dbraw/zinc/39/86/01/444398601.db2.gz NTRVJMBLYVHHRV-IMJJTQAJSA-N 1 2 331.416 1.311 20 30 EDEDLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000331222159 444449051 /nfs/dbraw/zinc/44/90/51/444449051.db2.gz COUAHTPNBRBOSF-GFCCVEGCSA-N 1 2 343.474 1.255 20 30 EDEDLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C1 ZINC000331222159 444449052 /nfs/dbraw/zinc/44/90/52/444449052.db2.gz COUAHTPNBRBOSF-GFCCVEGCSA-N 1 2 343.474 1.255 20 30 EDEDLO Cc1cc(=O)c(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cn1C1CC1 ZINC000328755697 444450399 /nfs/dbraw/zinc/45/03/99/444450399.db2.gz FLMPTGBODZHSHC-ZDUSSCGKSA-N 1 2 332.448 1.432 20 30 EDEDLO CN1CCOC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000329030487 444451725 /nfs/dbraw/zinc/45/17/25/444451725.db2.gz PMLKOHZJTZIFNY-ZWKOTPCHSA-N 1 2 347.459 1.217 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000331231444 444451814 /nfs/dbraw/zinc/45/18/14/444451814.db2.gz IBDSDKJNJHMILL-CYDGBPFRSA-N 1 2 325.409 1.231 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000331231444 444451819 /nfs/dbraw/zinc/45/18/19/444451819.db2.gz IBDSDKJNJHMILL-CYDGBPFRSA-N 1 2 325.409 1.231 20 30 EDEDLO Cn1ncc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1C(F)(F)F ZINC000329046925 444457034 /nfs/dbraw/zinc/45/70/34/444457034.db2.gz QBYHTQOUCGTEJT-WDEREUQCSA-N 1 2 347.341 1.389 20 30 EDEDLO Cn1ncc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1C(F)(F)F ZINC000329046925 444457035 /nfs/dbraw/zinc/45/70/35/444457035.db2.gz QBYHTQOUCGTEJT-WDEREUQCSA-N 1 2 347.341 1.389 20 30 EDEDLO CC(=O)Nc1ccc(O)c(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000331317228 444464930 /nfs/dbraw/zinc/46/49/30/444464930.db2.gz DDXSZTMNRYAWKC-UHFFFAOYSA-N 1 2 335.404 1.766 20 30 EDEDLO COC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC(C)(C)O1 ZINC000328987166 444435207 /nfs/dbraw/zinc/43/52/07/444435207.db2.gz DSFSXVSTLRRPNC-KBPBESRZSA-N 1 2 336.436 1.800 20 30 EDEDLO CC(C)[C@@H]1C[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000329146453 444483955 /nfs/dbraw/zinc/48/39/55/444483955.db2.gz OLIGSPFQFRWULI-CABCVRRESA-N 1 2 327.469 1.804 20 30 EDEDLO COc1ccc([C@H](CNc2ccnc(C#N)n2)[NH+]2CCOCC2)cc1 ZINC000580135702 322012731 /nfs/dbraw/zinc/01/27/31/322012731.db2.gz NQJBDCKLWOYFDS-INIZCTEOSA-N 1 2 339.399 1.264 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)C3(C#N)CCOCC3)c[nH+]2)CCO1 ZINC000332065057 444499863 /nfs/dbraw/zinc/49/98/63/444499863.db2.gz RJMQHRGSEOCXQS-CQSZACIVSA-N 1 2 344.415 1.243 20 30 EDEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000332334465 444510861 /nfs/dbraw/zinc/51/08/61/444510861.db2.gz ZWGQQGQZKWFLHR-UHFFFAOYSA-N 1 2 340.427 1.019 20 30 EDEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C1(C)C ZINC000329299466 444525560 /nfs/dbraw/zinc/52/55/60/444525560.db2.gz UXYBJNUJCZCLPJ-CQJMVSDSSA-N 1 2 339.480 1.755 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2CCCSC2)CC1 ZINC000329300509 444526450 /nfs/dbraw/zinc/52/64/50/444526450.db2.gz MMUPZIYLWKWWMM-GFCCVEGCSA-N 1 2 328.482 1.975 20 30 EDEDLO CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000338184320 444553429 /nfs/dbraw/zinc/55/34/29/444553429.db2.gz CTFZUHILODOENZ-SPYBWZPUSA-N 1 2 343.427 1.365 20 30 EDEDLO CC(C)COC[C@H](O)C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000338184320 444553430 /nfs/dbraw/zinc/55/34/30/444553430.db2.gz CTFZUHILODOENZ-SPYBWZPUSA-N 1 2 343.427 1.365 20 30 EDEDLO Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)no1 ZINC000329378920 444556859 /nfs/dbraw/zinc/55/68/59/444556859.db2.gz MTHFUMKGJNJENF-OCCSQVGLSA-N 1 2 336.440 1.065 20 30 EDEDLO CC(=O)N1CC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C(C)(C)C1 ZINC000329399227 444563666 /nfs/dbraw/zinc/56/36/66/444563666.db2.gz VLISIZDLKHVFCR-MRXNPFEDSA-N 1 2 345.443 1.889 20 30 EDEDLO CC(=O)N1CC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C(C)(C)C1 ZINC000329399227 444563668 /nfs/dbraw/zinc/56/36/68/444563668.db2.gz VLISIZDLKHVFCR-MRXNPFEDSA-N 1 2 345.443 1.889 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000329330601 444537475 /nfs/dbraw/zinc/53/74/75/444537475.db2.gz VTLGHFMGSBHHQF-HNNXBMFYSA-N 1 2 344.459 1.754 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3C=CCCC3)ccn2)CC1 ZINC000329451098 444585112 /nfs/dbraw/zinc/58/51/12/444585112.db2.gz OUSZLJPYRDQQIE-CQSZACIVSA-N 1 2 343.431 1.904 20 30 EDEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329482242 444597536 /nfs/dbraw/zinc/59/75/36/444597536.db2.gz DPYITZJMQGGQGC-QGPMSJSTSA-N 1 2 338.448 1.924 20 30 EDEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329482242 444597542 /nfs/dbraw/zinc/59/75/42/444597542.db2.gz DPYITZJMQGGQGC-QGPMSJSTSA-N 1 2 338.448 1.924 20 30 EDEDLO Cc1noc([C@@H]2CCCCN2C(=O)NCC2([NH+]3CCOCC3)CC2)n1 ZINC000329554225 444626366 /nfs/dbraw/zinc/62/63/66/444626366.db2.gz PZGZRNIMEDKGOV-AWEZNQCLSA-N 1 2 349.435 1.684 20 30 EDEDLO Cc1nn(C)c2cc(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)ccc12 ZINC000329619694 444651587 /nfs/dbraw/zinc/65/15/87/444651587.db2.gz MJJWYNQTJFJENZ-HOTGVXAUSA-N 1 2 329.404 1.442 20 30 EDEDLO Cc1nn(C)c2cc(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)ccc12 ZINC000329619694 444651590 /nfs/dbraw/zinc/65/15/90/444651590.db2.gz MJJWYNQTJFJENZ-HOTGVXAUSA-N 1 2 329.404 1.442 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](C(=O)OC)O[C@@H](C)C1 ZINC000338355944 444653014 /nfs/dbraw/zinc/65/30/14/444653014.db2.gz HPMFZPRLVKLWLL-YXJHDRRASA-N 1 2 349.427 1.417 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C(=O)OC)O[C@@H](C)C1 ZINC000338355944 444653019 /nfs/dbraw/zinc/65/30/19/444653019.db2.gz HPMFZPRLVKLWLL-YXJHDRRASA-N 1 2 349.427 1.417 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCc1nc(N(C)C)no1)C2 ZINC000329651904 444667050 /nfs/dbraw/zinc/66/70/50/444667050.db2.gz KOLVWFUTHLJWBO-UHFFFAOYSA-N 1 2 347.423 1.465 20 30 EDEDLO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329804620 444723491 /nfs/dbraw/zinc/72/34/91/444723491.db2.gz KGCOFYMLIWMFHC-MAZHCROVSA-N 1 2 349.479 1.936 20 30 EDEDLO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329804620 444723497 /nfs/dbraw/zinc/72/34/97/444723497.db2.gz KGCOFYMLIWMFHC-MAZHCROVSA-N 1 2 349.479 1.936 20 30 EDEDLO Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cnn1C ZINC000329877844 444749410 /nfs/dbraw/zinc/74/94/10/444749410.db2.gz JWFFTPFNLGDIOV-KMFMINBZSA-N 1 2 349.479 1.399 20 30 EDEDLO [O-]C(=[NH+]C[C@H]1CCc2[nH+]ccn2C1)N1CCOC2(CCOCC2)C1 ZINC000329906341 444763017 /nfs/dbraw/zinc/76/30/17/444763017.db2.gz SDBOTXQRESSLDS-CQSZACIVSA-N 1 2 334.420 1.241 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc([S@](C)=O)c(F)c3)C[C@H]21 ZINC000329954338 444784571 /nfs/dbraw/zinc/78/45/71/444784571.db2.gz JXWDOIIEJLWNNX-RFIQDPTOSA-N 1 2 341.408 1.123 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc([S@](C)=O)c(F)c3)C[C@H]21 ZINC000329954338 444784576 /nfs/dbraw/zinc/78/45/76/444784576.db2.gz JXWDOIIEJLWNNX-RFIQDPTOSA-N 1 2 341.408 1.123 20 30 EDEDLO CC1(C)CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@]2(CCOC2)O1 ZINC000329945996 444780523 /nfs/dbraw/zinc/78/05/23/444780523.db2.gz GBWWQLXRPJAPND-SFHVURJKSA-N 1 2 348.447 1.903 20 30 EDEDLO CCN1CCN(C(=O)NCc2cnc(C)s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329947376 444781856 /nfs/dbraw/zinc/78/18/56/444781856.db2.gz GYUMEQSVUVOCOU-CYBMUJFWSA-N 1 2 334.449 1.967 20 30 EDEDLO COc1ccc(F)cc1[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329982353 444798478 /nfs/dbraw/zinc/79/84/78/444798478.db2.gz OTCUVANYSQNTAM-PEYYIBSZSA-N 1 2 337.395 1.824 20 30 EDEDLO COc1ccc(F)cc1[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329982353 444798482 /nfs/dbraw/zinc/79/84/82/444798482.db2.gz OTCUVANYSQNTAM-PEYYIBSZSA-N 1 2 337.395 1.824 20 30 EDEDLO COc1nn(C)cc1NC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000330030101 444818154 /nfs/dbraw/zinc/81/81/54/444818154.db2.gz RBGXWTYXRBMNQW-UHFFFAOYSA-N 1 2 332.408 1.889 20 30 EDEDLO C[C@@H]1C[C@H](CNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CCO1 ZINC000329966116 444791010 /nfs/dbraw/zinc/79/10/10/444791010.db2.gz RNOMYRDMEPVPBQ-KFWWJZLASA-N 1 2 335.452 1.438 20 30 EDEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cn([C@H]2CCOC2)nn1 ZINC000330044294 444822964 /nfs/dbraw/zinc/82/29/64/444822964.db2.gz FSAOPEWSSUDJOF-AWEZNQCLSA-N 1 2 342.403 1.608 20 30 EDEDLO Cn1nc(CCNC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c2ccccc21 ZINC000330049451 444825242 /nfs/dbraw/zinc/82/52/42/444825242.db2.gz JMCRPFLNEPXFIF-IAGOWNOFSA-N 1 2 343.431 1.045 20 30 EDEDLO Cn1nc(CCNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2ccccc21 ZINC000330049451 444825247 /nfs/dbraw/zinc/82/52/47/444825247.db2.gz JMCRPFLNEPXFIF-IAGOWNOFSA-N 1 2 343.431 1.045 20 30 EDEDLO Cc1nccc(NC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)n1 ZINC000330104689 444846266 /nfs/dbraw/zinc/84/62/66/444846266.db2.gz HSCRTPSDNUQQBK-GFCCVEGCSA-N 1 2 342.403 1.931 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)n1cnc(C#N)n1 ZINC000336946465 444867873 /nfs/dbraw/zinc/86/78/73/444867873.db2.gz MHNNWGWXTLXCMT-VXGBXAGGSA-N 1 2 341.419 1.336 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@]2(CCOC2)O1 ZINC000330166686 444869744 /nfs/dbraw/zinc/86/97/44/444869744.db2.gz YGXQSAIZVOHXAV-SJCJKPOMSA-N 1 2 334.372 1.883 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@]2(CCOC2)O1 ZINC000330166686 444869748 /nfs/dbraw/zinc/86/97/48/444869748.db2.gz YGXQSAIZVOHXAV-SJCJKPOMSA-N 1 2 334.372 1.883 20 30 EDEDLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000330190597 444879834 /nfs/dbraw/zinc/87/98/34/444879834.db2.gz WHHJSLIHEBIMBB-CABCVRRESA-N 1 2 335.452 1.648 20 30 EDEDLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000330190597 444879836 /nfs/dbraw/zinc/87/98/36/444879836.db2.gz WHHJSLIHEBIMBB-CABCVRRESA-N 1 2 335.452 1.648 20 30 EDEDLO O=C(CCNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCCCCC1 ZINC000330181015 444876044 /nfs/dbraw/zinc/87/60/44/444876044.db2.gz NSDLOGSORKCFRS-AWEZNQCLSA-N 1 2 333.436 1.494 20 30 EDEDLO O=C(CC[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1)N1CCCCCC1 ZINC000330181015 444876048 /nfs/dbraw/zinc/87/60/48/444876048.db2.gz NSDLOGSORKCFRS-AWEZNQCLSA-N 1 2 333.436 1.494 20 30 EDEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000338903144 444922911 /nfs/dbraw/zinc/92/29/11/444922911.db2.gz PMAAPRKDWKKYKK-UHFFFAOYSA-N 1 2 335.429 1.067 20 30 EDEDLO C=CC[C@H](CO)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000337073837 444930503 /nfs/dbraw/zinc/93/05/03/444930503.db2.gz PCCMXRYBCYRHTG-OAHLLOKOSA-N 1 2 334.416 1.115 20 30 EDEDLO C=CC[C@H](CO)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000337073837 444930507 /nfs/dbraw/zinc/93/05/07/444930507.db2.gz PCCMXRYBCYRHTG-OAHLLOKOSA-N 1 2 334.416 1.115 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000341683021 444945116 /nfs/dbraw/zinc/94/51/16/444945116.db2.gz KYAUPZCKAAJECO-SJLPKXTDSA-N 1 2 347.459 1.544 20 30 EDEDLO CC(C)c1nnc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)s1 ZINC000330361577 444952524 /nfs/dbraw/zinc/95/25/24/444952524.db2.gz YNIWKVKAXQTRLR-MNOVXSKESA-N 1 2 325.438 1.264 20 30 EDEDLO CC(C)c1nnc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)s1 ZINC000330361577 444952529 /nfs/dbraw/zinc/95/25/29/444952529.db2.gz YNIWKVKAXQTRLR-MNOVXSKESA-N 1 2 325.438 1.264 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000330371340 444956303 /nfs/dbraw/zinc/95/63/03/444956303.db2.gz INAAJLSTJVIVLY-HIFRSBDPSA-N 1 2 338.433 1.261 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CN1CC(=O)NC1=O ZINC000330337832 444942720 /nfs/dbraw/zinc/94/27/20/444942720.db2.gz UMYFKONLDITBAZ-UHFFFAOYSA-N 1 2 333.348 1.207 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000337204913 444985184 /nfs/dbraw/zinc/98/51/84/444985184.db2.gz JLHPEDXFIKKUEW-KFWWJZLASA-N 1 2 345.447 1.996 20 30 EDEDLO C[C@](C#N)(NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F)C1CC1 ZINC000337221038 444992133 /nfs/dbraw/zinc/99/21/33/444992133.db2.gz DOHYTGDRTMTIKT-CZUORRHYSA-N 1 2 339.798 1.911 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cncc(Br)c1 ZINC000330620422 445064945 /nfs/dbraw/zinc/06/49/45/445064945.db2.gz KFMWVGYWGDSUTJ-SNVBAGLBSA-N 1 2 328.210 1.869 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cncc(Br)c1 ZINC000330620422 445064948 /nfs/dbraw/zinc/06/49/48/445064948.db2.gz KFMWVGYWGDSUTJ-SNVBAGLBSA-N 1 2 328.210 1.869 20 30 EDEDLO Cn1cc(C[N@@H+]2CCN(C3CC3)C(=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000337479063 445098517 /nfs/dbraw/zinc/09/85/17/445098517.db2.gz UOCXLTUDUNBIGY-UHFFFAOYSA-N 1 2 335.411 1.765 20 30 EDEDLO Cn1cc(C[N@H+]2CCN(C3CC3)C(=O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000337479063 445098519 /nfs/dbraw/zinc/09/85/19/445098519.db2.gz UOCXLTUDUNBIGY-UHFFFAOYSA-N 1 2 335.411 1.765 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000341994076 445112437 /nfs/dbraw/zinc/11/24/37/445112437.db2.gz RWBPEVUGGOSEDA-UHFFFAOYSA-N 1 2 349.406 1.573 20 30 EDEDLO CCN(CC#N)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339254125 445118292 /nfs/dbraw/zinc/11/82/92/445118292.db2.gz LGXRNVMAXCSHOQ-HNNXBMFYSA-N 1 2 331.420 1.389 20 30 EDEDLO CCN(CC#N)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339254125 445118294 /nfs/dbraw/zinc/11/82/94/445118294.db2.gz LGXRNVMAXCSHOQ-HNNXBMFYSA-N 1 2 331.420 1.389 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339780213 445169955 /nfs/dbraw/zinc/16/99/55/445169955.db2.gz QGRHYGXHCHPXLC-KBRIMQKVSA-N 1 2 333.407 1.942 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339780213 445169961 /nfs/dbraw/zinc/16/99/61/445169961.db2.gz QGRHYGXHCHPXLC-KBRIMQKVSA-N 1 2 333.407 1.942 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)Nc1ccnc(C(=O)N(C)C)c1)[NH+]1CCOCC1 ZINC000330873899 445176152 /nfs/dbraw/zinc/17/61/52/445176152.db2.gz SRAFENYNPYIRFA-QWHCGFSZSA-N 1 2 349.435 1.219 20 30 EDEDLO COC(=O)[C@@]1(C)CCCN1CC#CC[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000342119986 445182702 /nfs/dbraw/zinc/18/27/02/445182702.db2.gz CEQHQSASCDEIDW-QZTJIDSGSA-N 1 2 336.432 1.045 20 30 EDEDLO COC(=O)[C@@]1(C)CCCN1CC#CC[N@H+]1CCC[C@]1(C)C(=O)OC ZINC000342119986 445182706 /nfs/dbraw/zinc/18/27/06/445182706.db2.gz CEQHQSASCDEIDW-QZTJIDSGSA-N 1 2 336.432 1.045 20 30 EDEDLO N#Cc1ccc(CNc2ccn(CC[NH+]3CCOCC3)n2)c(F)c1 ZINC000344950217 445152147 /nfs/dbraw/zinc/15/21/47/445152147.db2.gz KIDMWNRWHQBCIP-UHFFFAOYSA-N 1 2 329.379 1.838 20 30 EDEDLO C=CCCc1ccccc1NC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000337587903 445153490 /nfs/dbraw/zinc/15/34/90/445153490.db2.gz GDAPYYAWBWZODM-INIZCTEOSA-N 1 2 333.432 1.620 20 30 EDEDLO CC(C)(C(=O)N1C[C@@H](C#N)[C@@H](c2ccccc2)C1)[NH+]1CCOCC1 ZINC000346384322 445213043 /nfs/dbraw/zinc/21/30/43/445213043.db2.gz PGUHRQRHKOJQTN-IAGOWNOFSA-N 1 2 327.428 1.863 20 30 EDEDLO CC(C)(C(=O)N1C[C@H](C#N)[C@@H](c2ccccc2)C1)[NH+]1CCOCC1 ZINC000346384321 445213226 /nfs/dbraw/zinc/21/32/26/445213226.db2.gz PGUHRQRHKOJQTN-DLBZAZTESA-N 1 2 327.428 1.863 20 30 EDEDLO CN(C)[C@H](C(=O)N1C[C@H](C#N)[C@@H](c2ccccc2)C1)c1c[nH+]cn1C ZINC000346416526 445214163 /nfs/dbraw/zinc/21/41/63/445214163.db2.gz ZNJJGUBVIJYSFZ-JZXOWHBKSA-N 1 2 337.427 1.789 20 30 EDEDLO N#CC1(CN2CC[NH+](CCNC(=O)c3ccccc3F)CC2)CC1 ZINC000343317327 445196072 /nfs/dbraw/zinc/19/60/72/445196072.db2.gz UXZYNHAPXQSNDB-UHFFFAOYSA-N 1 2 330.407 1.477 20 30 EDEDLO COCCN1C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)CC[C@H]21 ZINC000345679441 445196363 /nfs/dbraw/zinc/19/63/63/445196363.db2.gz DDEKZDINRJCYSG-IAGOWNOFSA-N 1 2 347.846 1.806 20 30 EDEDLO COCCN1C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)CC[C@H]21 ZINC000345679441 445196365 /nfs/dbraw/zinc/19/63/65/445196365.db2.gz DDEKZDINRJCYSG-IAGOWNOFSA-N 1 2 347.846 1.806 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000343327126 445200089 /nfs/dbraw/zinc/20/00/89/445200089.db2.gz AMHKJMPAHNSQJC-SOUVJXGZSA-N 1 2 325.453 1.073 20 30 EDEDLO C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1c[nH+]cn1C ZINC000343510213 445235996 /nfs/dbraw/zinc/23/59/96/445235996.db2.gz KQIHOANDPQNBFM-UHFFFAOYSA-N 1 2 343.412 1.839 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000347612036 445243225 /nfs/dbraw/zinc/24/32/25/445243225.db2.gz TXOQLPRQPZPRQE-GOEBONIOSA-N 1 2 328.478 1.292 20 30 EDEDLO N#C[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000347696656 445245203 /nfs/dbraw/zinc/24/52/03/445245203.db2.gz CALSBKWSWFZABK-WMZOPIPTSA-N 1 2 342.443 1.739 20 30 EDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1SCC(N)=O ZINC000347709286 445245599 /nfs/dbraw/zinc/24/55/99/445245599.db2.gz UBVDUFSIGCMTRN-RYUDHWBXSA-N 1 2 332.429 1.484 20 30 EDEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)C[C@H]1C ZINC000354474412 445253558 /nfs/dbraw/zinc/25/35/58/445253558.db2.gz VZKTUAVTKHFPLX-GFCCVEGCSA-N 1 2 349.818 1.921 20 30 EDEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)C[C@H]1C ZINC000354474412 445253562 /nfs/dbraw/zinc/25/35/62/445253562.db2.gz VZKTUAVTKHFPLX-GFCCVEGCSA-N 1 2 349.818 1.921 20 30 EDEDLO Cc1nc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cs1 ZINC000348319215 445254795 /nfs/dbraw/zinc/25/47/95/445254795.db2.gz KWLNKTCKJCPNOD-XJKSGUPXSA-N 1 2 349.504 1.795 20 30 EDEDLO C=CCOc1ccc(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000348609750 445337218 /nfs/dbraw/zinc/33/72/18/445337218.db2.gz XPWYPAMTPTYVAL-HNNXBMFYSA-N 1 2 326.356 1.638 20 30 EDEDLO C=CCOc1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000348609750 445337221 /nfs/dbraw/zinc/33/72/21/445337221.db2.gz XPWYPAMTPTYVAL-HNNXBMFYSA-N 1 2 326.356 1.638 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348759855 445365333 /nfs/dbraw/zinc/36/53/33/445365333.db2.gz DAWBKBAFFHIHAQ-ISXWCOSWSA-N 1 2 348.491 1.322 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348759855 445365339 /nfs/dbraw/zinc/36/53/39/445365339.db2.gz DAWBKBAFFHIHAQ-ISXWCOSWSA-N 1 2 348.491 1.322 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1CNC(=O)c1ccc(C#N)o1 ZINC000348238459 445325662 /nfs/dbraw/zinc/32/56/62/445325662.db2.gz FKAZBXPTPPMIMH-NEPJUHHUSA-N 1 2 331.351 1.227 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000352313552 445519968 /nfs/dbraw/zinc/51/99/68/445519968.db2.gz DSGSMZDQUCTVNY-CQSZACIVSA-N 1 2 345.447 1.295 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000352773253 445553818 /nfs/dbraw/zinc/55/38/18/445553818.db2.gz AFOOQEPXEXQSQR-BBRMVZONSA-N 1 2 345.447 1.635 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000352773253 445553825 /nfs/dbraw/zinc/55/38/25/445553825.db2.gz AFOOQEPXEXQSQR-BBRMVZONSA-N 1 2 345.447 1.635 20 30 EDEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1COC[C@@H]1O ZINC000352801646 445555452 /nfs/dbraw/zinc/55/54/52/445555452.db2.gz SXNNHWDNTALTMB-GJZGRUSLSA-N 1 2 337.807 1.278 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1COC[C@@H]1O ZINC000352801646 445555456 /nfs/dbraw/zinc/55/54/56/445555456.db2.gz SXNNHWDNTALTMB-GJZGRUSLSA-N 1 2 337.807 1.278 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000360212802 445632111 /nfs/dbraw/zinc/63/21/11/445632111.db2.gz QDCDNRRISWJRMP-LBPRGKRZSA-N 1 2 336.359 1.546 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000356056116 445594366 /nfs/dbraw/zinc/59/43/66/445594366.db2.gz QMYMFRDNTBPHGQ-INMHGKMJSA-N 1 2 338.427 1.118 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000356056116 445594369 /nfs/dbraw/zinc/59/43/69/445594369.db2.gz QMYMFRDNTBPHGQ-INMHGKMJSA-N 1 2 338.427 1.118 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cncc(OC)n2)CC1 ZINC000363067597 445665658 /nfs/dbraw/zinc/66/56/58/445665658.db2.gz MMQSFXROIHMSBE-OAHLLOKOSA-N 1 2 345.447 1.196 20 30 EDEDLO CCn1cc[nH+]c1CN1CCCN(C(=O)c2cc(C#N)cn2C)CC1 ZINC000363120124 445686087 /nfs/dbraw/zinc/68/60/87/445686087.db2.gz NSDBSLMUMBLQOJ-UHFFFAOYSA-N 1 2 340.431 1.461 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000356270461 445710558 /nfs/dbraw/zinc/71/05/58/445710558.db2.gz CKCVCUAMAGNHIO-IRXDYDNUSA-N 1 2 326.437 1.236 20 30 EDEDLO C=CCCCCNC(=O)NC[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000349906129 445718258 /nfs/dbraw/zinc/71/82/58/445718258.db2.gz GNFJNICWEOOBGW-CABCVRRESA-N 1 2 337.443 1.988 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)c1 ZINC000366012698 445961734 /nfs/dbraw/zinc/96/17/34/445961734.db2.gz VXPMQCXNFISSKY-HNNXBMFYSA-N 1 2 336.395 1.908 20 30 EDEDLO Cn1ncc2c1nc(N[C@@H]1CCCN(c3ccccc3C#N)C1)[nH+]c2N ZINC000364986728 445973372 /nfs/dbraw/zinc/97/33/72/445973372.db2.gz IYOVBQARJLMTLY-CYBMUJFWSA-N 1 2 348.414 1.898 20 30 EDEDLO CN(CCCn1cc[nH+]c1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000356809219 446040816 /nfs/dbraw/zinc/04/08/16/446040816.db2.gz ZUGDVUUYYVREHF-KRWDZBQOSA-N 1 2 334.420 1.993 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000583306197 326045585 /nfs/dbraw/zinc/04/55/85/326045585.db2.gz ZVRBHBMKSRCZCB-YPMHNXCESA-N 1 2 349.822 1.934 20 30 EDEDLO CCC(=O)N1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000365356783 446165911 /nfs/dbraw/zinc/16/59/11/446165911.db2.gz IPLGRTDZXWQJOJ-QGZVFWFLSA-N 1 2 340.427 1.608 20 30 EDEDLO CCC(=O)N1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000365356783 446165918 /nfs/dbraw/zinc/16/59/18/446165918.db2.gz IPLGRTDZXWQJOJ-QGZVFWFLSA-N 1 2 340.427 1.608 20 30 EDEDLO CC1(C)C[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000366583153 446268750 /nfs/dbraw/zinc/26/87/50/446268750.db2.gz CPTNQIDOZVUOIE-LJQANCHMSA-N 1 2 343.427 1.444 20 30 EDEDLO CC1(C)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000366583153 446268754 /nfs/dbraw/zinc/26/87/54/446268754.db2.gz CPTNQIDOZVUOIE-LJQANCHMSA-N 1 2 343.427 1.444 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370546689 446326945 /nfs/dbraw/zinc/32/69/45/446326945.db2.gz MRFRVTJDGXWXEL-ZIAGYGMSSA-N 1 2 349.456 1.788 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370546689 446326949 /nfs/dbraw/zinc/32/69/49/446326949.db2.gz MRFRVTJDGXWXEL-ZIAGYGMSSA-N 1 2 349.456 1.788 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000410790036 446344379 /nfs/dbraw/zinc/34/43/79/446344379.db2.gz HEHZEPUSWHSHRI-UHFFFAOYSA-N 1 2 332.448 1.936 20 30 EDEDLO N#C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000374385010 446366799 /nfs/dbraw/zinc/36/67/99/446366799.db2.gz KFKOSUXAQCNNSE-SCLBCKFNSA-N 1 2 335.367 1.145 20 30 EDEDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(S(N)(=O)=O)ccc1C#N)CCC2 ZINC000376401782 446476519 /nfs/dbraw/zinc/47/65/19/446476519.db2.gz CTMMUAACMXBRTO-CYBMUJFWSA-N 1 2 345.428 1.700 20 30 EDEDLO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433291231 446552767 /nfs/dbraw/zinc/55/27/67/446552767.db2.gz VHGXDPJHTOVZQC-ZDUSSCGKSA-N 1 2 331.416 1.959 20 30 EDEDLO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433291231 446552772 /nfs/dbraw/zinc/55/27/72/446552772.db2.gz VHGXDPJHTOVZQC-ZDUSSCGKSA-N 1 2 331.416 1.959 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000453670677 446590600 /nfs/dbraw/zinc/59/06/00/446590600.db2.gz JKEHPRDHXQAHTK-UHFFFAOYSA-N 1 2 325.372 1.550 20 30 EDEDLO COCCn1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cn1 ZINC000434981384 446672178 /nfs/dbraw/zinc/67/21/78/446672178.db2.gz FVRBVOTXGGEQMQ-IBGZPJMESA-N 1 2 339.443 1.912 20 30 EDEDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000420446282 446623483 /nfs/dbraw/zinc/62/34/83/446623483.db2.gz UATJKAQKCTXNIU-CYBMUJFWSA-N 1 2 331.800 1.534 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)NCCNc1cccc[nH+]1 ZINC000435652547 446707248 /nfs/dbraw/zinc/70/72/48/446707248.db2.gz BVGNGBGWTRRBQL-UHFFFAOYSA-N 1 2 327.319 1.259 20 30 EDEDLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000412073022 446832479 /nfs/dbraw/zinc/83/24/79/446832479.db2.gz KUGYCLJSFYMPCN-NSHDSACASA-N 1 2 339.442 1.396 20 30 EDEDLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000412073022 446832483 /nfs/dbraw/zinc/83/24/83/446832483.db2.gz KUGYCLJSFYMPCN-NSHDSACASA-N 1 2 339.442 1.396 20 30 EDEDLO CC[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H]1CCNC1=O ZINC000440966706 446860508 /nfs/dbraw/zinc/86/05/08/446860508.db2.gz JQFVGCAVKGDKCC-CYBMUJFWSA-N 1 2 332.429 1.451 20 30 EDEDLO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H]1CCNC1=O ZINC000440966706 446860518 /nfs/dbraw/zinc/86/05/18/446860518.db2.gz JQFVGCAVKGDKCC-CYBMUJFWSA-N 1 2 332.429 1.451 20 30 EDEDLO COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000412105054 446865668 /nfs/dbraw/zinc/86/56/68/446865668.db2.gz OMSWKSYLZNWRPD-KRWDZBQOSA-N 1 2 333.388 1.982 20 30 EDEDLO COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000412105054 446865673 /nfs/dbraw/zinc/86/56/73/446865673.db2.gz OMSWKSYLZNWRPD-KRWDZBQOSA-N 1 2 333.388 1.982 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2ccc(C(=O)NC)n2C)C1=O ZINC000375613862 446924206 /nfs/dbraw/zinc/92/42/06/446924206.db2.gz PKKFGPWLZQFEKN-NVXWUHKLSA-N 1 2 344.459 1.699 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2ccc(C(=O)NC)n2C)C1=O ZINC000375613862 446924210 /nfs/dbraw/zinc/92/42/10/446924210.db2.gz PKKFGPWLZQFEKN-NVXWUHKLSA-N 1 2 344.459 1.699 20 30 EDEDLO N#C[C@H]1C[N@H+](C[C@@H]2CNc3ccnn3C2)CCN1Cc1ccccc1 ZINC000619265026 450438253 /nfs/dbraw/zinc/43/82/53/450438253.db2.gz OFHSHVVXIJMSCW-ROUUACIJSA-N 1 2 336.443 1.635 20 30 EDEDLO N#C[C@H]1C[N@@H+](C[C@@H]2CNc3ccnn3C2)CCN1Cc1ccccc1 ZINC000619265026 450438257 /nfs/dbraw/zinc/43/82/57/450438257.db2.gz OFHSHVVXIJMSCW-ROUUACIJSA-N 1 2 336.443 1.635 20 30 EDEDLO CCc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)no1 ZINC000377491560 447161904 /nfs/dbraw/zinc/16/19/04/447161904.db2.gz FANMRDIGKFYDNN-SJKOYZFVSA-N 1 2 331.420 1.620 20 30 EDEDLO CCc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)no1 ZINC000377491560 447161914 /nfs/dbraw/zinc/16/19/14/447161914.db2.gz FANMRDIGKFYDNN-SJKOYZFVSA-N 1 2 331.420 1.620 20 30 EDEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000375941740 447164163 /nfs/dbraw/zinc/16/41/63/447164163.db2.gz MPDSYGCICYBMHE-WIUDPPPLSA-N 1 2 325.459 1.791 20 30 EDEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000375941740 447164171 /nfs/dbraw/zinc/16/41/71/447164171.db2.gz MPDSYGCICYBMHE-WIUDPPPLSA-N 1 2 325.459 1.791 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CCCCC1 ZINC000444727048 447128770 /nfs/dbraw/zinc/12/87/70/447128770.db2.gz PGJCRFCWUTZBDT-GXTWGEPZSA-N 1 2 347.381 1.964 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CCCCC1 ZINC000444727048 447128779 /nfs/dbraw/zinc/12/87/79/447128779.db2.gz PGJCRFCWUTZBDT-GXTWGEPZSA-N 1 2 347.381 1.964 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000372640084 447202079 /nfs/dbraw/zinc/20/20/79/447202079.db2.gz PBXGMFAMXUPVMW-CRAIPNDOSA-N 1 2 337.464 1.028 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H]2c2[nH]cc[nH+]2)nc1 ZINC000377503348 447168551 /nfs/dbraw/zinc/16/85/51/447168551.db2.gz CLLZHCXMATWKFZ-CYBMUJFWSA-N 1 2 331.401 1.287 20 30 EDEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000368870898 447168623 /nfs/dbraw/zinc/16/86/23/447168623.db2.gz UXMYGLPZKYFJPU-QAPCUYQASA-N 1 2 348.447 1.937 20 30 EDEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000368870898 447168626 /nfs/dbraw/zinc/16/86/26/447168626.db2.gz UXMYGLPZKYFJPU-QAPCUYQASA-N 1 2 348.447 1.937 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000456009548 447284453 /nfs/dbraw/zinc/28/44/53/447284453.db2.gz TWSDNEVOWYXZKZ-UHFFFAOYSA-N 1 2 338.415 1.950 20 30 EDEDLO Cc1cc(Cl)ccc1-n1cnc(=O)n1C[C@@H](O)C[N@H+](C)CCC#N ZINC000414158272 447278656 /nfs/dbraw/zinc/27/86/56/447278656.db2.gz UHTBXBZVJJQXDO-AWEZNQCLSA-N 1 2 349.822 1.202 20 30 EDEDLO Cc1cc(Cl)ccc1-n1cnc(=O)n1C[C@@H](O)C[N@@H+](C)CCC#N ZINC000414158272 447278660 /nfs/dbraw/zinc/27/86/60/447278660.db2.gz UHTBXBZVJJQXDO-AWEZNQCLSA-N 1 2 349.822 1.202 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000419929434 447497068 /nfs/dbraw/zinc/49/70/68/447497068.db2.gz VPEOAZSRIAEXEP-SJORKVTESA-N 1 2 343.427 1.774 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000419929434 447497074 /nfs/dbraw/zinc/49/70/74/447497074.db2.gz VPEOAZSRIAEXEP-SJORKVTESA-N 1 2 343.427 1.774 20 30 EDEDLO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000450463061 447497621 /nfs/dbraw/zinc/49/76/21/447497621.db2.gz LVSJXMJGIQQHLO-HKUYNNGSSA-N 1 2 331.460 1.699 20 30 EDEDLO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000450463061 447497626 /nfs/dbraw/zinc/49/76/26/447497626.db2.gz LVSJXMJGIQQHLO-HKUYNNGSSA-N 1 2 331.460 1.699 20 30 EDEDLO C[C@@H](c1ccccc1)[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000450463061 447497634 /nfs/dbraw/zinc/49/76/34/447497634.db2.gz LVSJXMJGIQQHLO-HKUYNNGSSA-N 1 2 331.460 1.699 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000450540200 447520902 /nfs/dbraw/zinc/52/09/02/447520902.db2.gz ODVFJQWWMKJGDE-ZDUSSCGKSA-N 1 2 332.360 1.763 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000450540200 447520905 /nfs/dbraw/zinc/52/09/05/447520905.db2.gz ODVFJQWWMKJGDE-ZDUSSCGKSA-N 1 2 332.360 1.763 20 30 EDEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422479724 447584937 /nfs/dbraw/zinc/58/49/37/447584937.db2.gz SGMWKHCMDKACFZ-MRXNPFEDSA-N 1 2 340.427 1.382 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459517406 447694789 /nfs/dbraw/zinc/69/47/89/447694789.db2.gz OJZZVWJLIGPQBU-QWHCGFSZSA-N 1 2 349.460 1.050 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459517406 447694794 /nfs/dbraw/zinc/69/47/94/447694794.db2.gz OJZZVWJLIGPQBU-QWHCGFSZSA-N 1 2 349.460 1.050 20 30 EDEDLO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000410559079 447695563 /nfs/dbraw/zinc/69/55/63/447695563.db2.gz BQSYESKXZKZPFN-UHFFFAOYSA-N 1 2 330.432 1.820 20 30 EDEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451186819 447702814 /nfs/dbraw/zinc/70/28/14/447702814.db2.gz MYFRCDJDWDMOOI-NSHDSACASA-N 1 2 327.837 1.731 20 30 EDEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451186819 447702820 /nfs/dbraw/zinc/70/28/20/447702820.db2.gz MYFRCDJDWDMOOI-NSHDSACASA-N 1 2 327.837 1.731 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000496065982 447703660 /nfs/dbraw/zinc/70/36/60/447703660.db2.gz MPDXEEASOWRFIU-GXTWGEPZSA-N 1 2 347.419 1.560 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000496065982 447703663 /nfs/dbraw/zinc/70/36/63/447703663.db2.gz MPDXEEASOWRFIU-GXTWGEPZSA-N 1 2 347.419 1.560 20 30 EDEDLO C=CCN(CCC#N)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000428857167 447718502 /nfs/dbraw/zinc/71/85/02/447718502.db2.gz RDSRFIVSXGEPMI-UHFFFAOYSA-N 1 2 332.473 1.794 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cn1C ZINC000459619711 447723771 /nfs/dbraw/zinc/72/37/71/447723771.db2.gz UYHGNPKVDKTKFU-UHFFFAOYSA-N 1 2 325.368 1.947 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000451446338 447733314 /nfs/dbraw/zinc/73/33/14/447733314.db2.gz PLBWCBZPUYEKFC-GLJUWKHASA-N 1 2 338.448 1.500 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnn(CC(C)C)c3)CC2)c1C#N ZINC000471804197 447814296 /nfs/dbraw/zinc/81/42/96/447814296.db2.gz LIKMSSPTDWCFII-UHFFFAOYSA-N 1 2 341.463 1.775 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876001 447770797 /nfs/dbraw/zinc/77/07/97/447770797.db2.gz XCYMVYMOERGONB-ZIAGYGMSSA-N 1 2 348.413 1.811 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876001 447770800 /nfs/dbraw/zinc/77/08/00/447770800.db2.gz XCYMVYMOERGONB-ZIAGYGMSSA-N 1 2 348.413 1.811 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2(CC#N)CC2)nc[nH+]1 ZINC000430844886 447787390 /nfs/dbraw/zinc/78/73/90/447787390.db2.gz AFTCTHKQXBLAOK-CYBMUJFWSA-N 1 2 343.435 1.480 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)NCC2(CC#N)CC2)[nH+]cn1 ZINC000430844886 447787392 /nfs/dbraw/zinc/78/73/92/447787392.db2.gz AFTCTHKQXBLAOK-CYBMUJFWSA-N 1 2 343.435 1.480 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](CC)CN1C(C)=O ZINC000472345732 447819350 /nfs/dbraw/zinc/81/93/50/447819350.db2.gz FYCLAFGTRWLSSR-NUJGCVRESA-N 1 2 334.464 1.516 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](CC)CN1C(C)=O ZINC000472345732 447819354 /nfs/dbraw/zinc/81/93/54/447819354.db2.gz FYCLAFGTRWLSSR-NUJGCVRESA-N 1 2 334.464 1.516 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451988491 447797379 /nfs/dbraw/zinc/79/73/79/447797379.db2.gz HFQFIBMGBIDNRX-CABCVRRESA-N 1 2 349.479 1.453 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451988491 447797380 /nfs/dbraw/zinc/79/73/80/447797380.db2.gz HFQFIBMGBIDNRX-CABCVRRESA-N 1 2 349.479 1.453 20 30 EDEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000431591123 447810922 /nfs/dbraw/zinc/81/09/22/447810922.db2.gz ZSRPYZOEPIVJRN-UHFFFAOYSA-N 1 2 348.340 1.349 20 30 EDEDLO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000530337731 447863584 /nfs/dbraw/zinc/86/35/84/447863584.db2.gz POMMGZPHAJWGHL-AWEZNQCLSA-N 1 2 328.416 1.816 20 30 EDEDLO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000530337731 447863590 /nfs/dbraw/zinc/86/35/90/447863590.db2.gz POMMGZPHAJWGHL-AWEZNQCLSA-N 1 2 328.416 1.816 20 30 EDEDLO C=CCn1cccc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000488400131 447846731 /nfs/dbraw/zinc/84/67/31/447846731.db2.gz RPLSIWDWFHFSLR-UHFFFAOYSA-N 1 2 326.400 1.836 20 30 EDEDLO Cc1nn(C)c(N2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)c1C#N ZINC000530412085 447879855 /nfs/dbraw/zinc/87/98/55/447879855.db2.gz CDWIRDDREBFNSY-UHFFFAOYSA-N 1 2 348.414 1.452 20 30 EDEDLO CCc1ccc([C@@H](C#N)NC(=O)C[N@H+](C)CC(=O)NC(C)C)cc1 ZINC000489966602 447882909 /nfs/dbraw/zinc/88/29/09/447882909.db2.gz PVUZATUZRIMNBX-MRXNPFEDSA-N 1 2 330.432 1.386 20 30 EDEDLO CCc1ccc([C@@H](C#N)NC(=O)C[N@@H+](C)CC(=O)NC(C)C)cc1 ZINC000489966602 447882913 /nfs/dbraw/zinc/88/29/13/447882913.db2.gz PVUZATUZRIMNBX-MRXNPFEDSA-N 1 2 330.432 1.386 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)C[C@](C)(c3ccc(C)cc3)C2=O)CC1 ZINC000490893953 447906392 /nfs/dbraw/zinc/90/63/92/447906392.db2.gz YHHPPXLKWBGRDN-HXUWFJFHSA-N 1 2 339.439 1.220 20 30 EDEDLO C=C(C)CONC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496782570 447909994 /nfs/dbraw/zinc/90/99/94/447909994.db2.gz WINQXBZNGWIVQB-UHFFFAOYSA-N 1 2 327.425 1.553 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000491100897 447922905 /nfs/dbraw/zinc/92/29/05/447922905.db2.gz IGEBZSBULHUHSD-UHFFFAOYSA-N 1 2 335.354 1.365 20 30 EDEDLO COc1cccc(C(F)(F)C[NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)n1 ZINC000575923289 447928994 /nfs/dbraw/zinc/92/89/94/447928994.db2.gz BNSQAOFWKIQJKK-LLVKDONJSA-N 1 2 348.357 1.582 20 30 EDEDLO C#CC[N@@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)Cc1ccccc1 ZINC000491126591 447932701 /nfs/dbraw/zinc/93/27/01/447932701.db2.gz QEUNPTKRKGSSKO-FQEVSTJZSA-N 1 2 349.434 1.725 20 30 EDEDLO C#CC[N@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)Cc1ccccc1 ZINC000491126591 447932705 /nfs/dbraw/zinc/93/27/05/447932705.db2.gz QEUNPTKRKGSSKO-FQEVSTJZSA-N 1 2 349.434 1.725 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000491125669 447933023 /nfs/dbraw/zinc/93/30/23/447933023.db2.gz GIUMRFAKEGOTFV-UHFFFAOYSA-N 1 2 337.326 1.834 20 30 EDEDLO C=CCn1c(CC(F)(F)F)nnc1N(C)CC[NH+]1CCOCC1 ZINC000570331773 447988222 /nfs/dbraw/zinc/98/82/22/447988222.db2.gz OTFJIARJESAZDD-UHFFFAOYSA-N 1 2 333.358 1.337 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2=CCC(C)(C)CC2)CC1 ZINC000491394435 448011822 /nfs/dbraw/zinc/01/18/22/448011822.db2.gz LZTXAAKVWHICGQ-UHFFFAOYSA-N 1 2 331.460 1.407 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2=CCC(C)(C)CC2)CC1 ZINC000491394435 448011825 /nfs/dbraw/zinc/01/18/25/448011825.db2.gz LZTXAAKVWHICGQ-UHFFFAOYSA-N 1 2 331.460 1.407 20 30 EDEDLO C=C(C)Cn1c(CC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000570228143 447968512 /nfs/dbraw/zinc/96/85/12/447968512.db2.gz KLHGRHURHAMPSD-UHFFFAOYSA-N 1 2 327.436 1.842 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(-c3ccccn3)cc2)CC1 ZINC000491232306 447969405 /nfs/dbraw/zinc/96/94/05/447969405.db2.gz ZXNFBEXZVBROTE-UHFFFAOYSA-N 1 2 334.423 1.938 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccccc1 ZINC000525746224 448020090 /nfs/dbraw/zinc/02/00/90/448020090.db2.gz JWZLCMMRVRKNDW-INIZCTEOSA-N 1 2 349.398 2.441 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C3CC3)c2)CC1 ZINC000491454508 448033115 /nfs/dbraw/zinc/03/31/15/448033115.db2.gz ZLCJXMIYQYFARG-UHFFFAOYSA-N 1 2 339.439 1.461 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(C3CC3)c2)CC1 ZINC000491454508 448033120 /nfs/dbraw/zinc/03/31/20/448033120.db2.gz ZLCJXMIYQYFARG-UHFFFAOYSA-N 1 2 339.439 1.461 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000526112581 448102096 /nfs/dbraw/zinc/10/20/96/448102096.db2.gz CXLXUKCZEATGFC-NSHDSACASA-N 1 2 327.388 1.828 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(Cl)cc2COC)CC1 ZINC000491754212 448105901 /nfs/dbraw/zinc/10/59/01/448105901.db2.gz RQEDAINPBKKLTL-UHFFFAOYSA-N 1 2 335.835 1.676 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000555164506 448065736 /nfs/dbraw/zinc/06/57/36/448065736.db2.gz JGTUNXNVQYMIJT-LBPRGKRZSA-N 1 2 339.399 1.605 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000555164506 448065741 /nfs/dbraw/zinc/06/57/41/448065741.db2.gz JGTUNXNVQYMIJT-LBPRGKRZSA-N 1 2 339.399 1.605 20 30 EDEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)C1 ZINC000531353418 448067785 /nfs/dbraw/zinc/06/77/85/448067785.db2.gz YNVRAPIYAJIAKJ-STQMWFEESA-N 1 2 343.305 1.597 20 30 EDEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)C1 ZINC000531353418 448067791 /nfs/dbraw/zinc/06/77/91/448067791.db2.gz YNVRAPIYAJIAKJ-STQMWFEESA-N 1 2 343.305 1.597 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000491806709 448135063 /nfs/dbraw/zinc/13/50/63/448135063.db2.gz AQMWBIMYPWGGAN-SJLPKXTDSA-N 1 2 329.444 1.593 20 30 EDEDLO Cc1ccncc1/C=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000492526448 448234589 /nfs/dbraw/zinc/23/45/89/448234589.db2.gz APBKXHGTHGVICJ-ARJAWSKDSA-N 1 2 328.416 1.478 20 30 EDEDLO CNc1nc(N(C)CCCc2[nH]nc(N)c2C#N)[nH+]c2ccccc21 ZINC000571851802 448216657 /nfs/dbraw/zinc/21/66/57/448216657.db2.gz XBSUUHLCSWWFCD-UHFFFAOYSA-N 1 2 336.403 1.339 20 30 EDEDLO Cc1nc(N)c(CNC(=O)CSCc2ccc(C#N)cc2)c[nH+]1 ZINC000560499443 448222221 /nfs/dbraw/zinc/22/22/21/448222221.db2.gz SDJMDJPJJVKJOF-UHFFFAOYSA-N 1 2 327.413 1.789 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000562027760 448242116 /nfs/dbraw/zinc/24/21/16/448242116.db2.gz DAISYOJWSDHBLF-HZPDHXFCSA-N 1 2 337.464 1.171 20 30 EDEDLO CCc1nc(C)c(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)o1 ZINC000572340941 448348528 /nfs/dbraw/zinc/34/85/28/448348528.db2.gz XWQUCMBTYINIEI-UHFFFAOYSA-N 1 2 328.420 1.781 20 30 EDEDLO CC[C@H](CC#N)NCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000565175088 448357592 /nfs/dbraw/zinc/35/75/92/448357592.db2.gz YUJRBCGNLAMLKT-MRXNPFEDSA-N 1 2 330.432 1.739 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1C#N ZINC000572395914 448368665 /nfs/dbraw/zinc/36/86/65/448368665.db2.gz NTSVFIKPEFEKIB-AWEZNQCLSA-N 1 2 325.372 1.773 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1C#N ZINC000572395914 448368667 /nfs/dbraw/zinc/36/86/67/448368667.db2.gz NTSVFIKPEFEKIB-AWEZNQCLSA-N 1 2 325.372 1.773 20 30 EDEDLO C[C@@H]1C(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C(=O)N1c1ccccc1 ZINC000582892238 448369294 /nfs/dbraw/zinc/36/92/94/448369294.db2.gz AUWMUVRSOXQMCK-HIFRSBDPSA-N 1 2 330.388 1.050 20 30 EDEDLO C[C@@H]1C(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C(=O)N1c1ccccc1 ZINC000582892238 448369297 /nfs/dbraw/zinc/36/92/97/448369297.db2.gz AUWMUVRSOXQMCK-HIFRSBDPSA-N 1 2 330.388 1.050 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1C ZINC000565502388 448369884 /nfs/dbraw/zinc/36/98/84/448369884.db2.gz CFYCUGCVDAJSBI-FUHWJXTLSA-N 1 2 345.443 1.225 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1C ZINC000565502388 448369886 /nfs/dbraw/zinc/36/98/86/448369886.db2.gz CFYCUGCVDAJSBI-FUHWJXTLSA-N 1 2 345.443 1.225 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNC(=O)/C=C\c2ccc(OCC#N)cc2)CCO1 ZINC000492984256 448336948 /nfs/dbraw/zinc/33/69/48/448336948.db2.gz OAROULPQOQKVAY-CTEOGUNLSA-N 1 2 343.427 1.829 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)/C=C\c2ccc(OCC#N)cc2)CCO1 ZINC000492984256 448336969 /nfs/dbraw/zinc/33/69/69/448336969.db2.gz OAROULPQOQKVAY-CTEOGUNLSA-N 1 2 343.427 1.829 20 30 EDEDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc(C#Cc2ccccc2)cc1 ZINC000533477659 448408361 /nfs/dbraw/zinc/40/83/61/448408361.db2.gz AYSICQVPVOOYEM-NRFANRHFSA-N 1 2 345.446 1.816 20 30 EDEDLO Cc1cc(S(C)(=O)=O)cc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1C ZINC000536188552 448520673 /nfs/dbraw/zinc/52/06/73/448520673.db2.gz MWOUFFCERIQTBX-UHFFFAOYSA-N 1 2 349.456 1.425 20 30 EDEDLO C[C@H](c1cccc(NC(=O)C(=O)NC[C@H](C)C#N)c1)[NH+]1CCOCC1 ZINC000537011808 448550066 /nfs/dbraw/zinc/55/00/66/448550066.db2.gz PQBKNAGNNMLDRS-ZIAGYGMSSA-N 1 2 344.415 1.294 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000578724604 448618004 /nfs/dbraw/zinc/61/80/04/448618004.db2.gz SVJXLEZQBLKQEN-ZYHUDNBSSA-N 1 2 332.385 1.748 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cn(CCc2ccccc2)nn1 ZINC000517573170 448595545 /nfs/dbraw/zinc/59/55/45/448595545.db2.gz XZJNJDANJHNPFH-KRWDZBQOSA-N 1 2 326.404 1.094 20 30 EDEDLO Cc1cc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c(C#N)cn1 ZINC000573480550 448639313 /nfs/dbraw/zinc/63/93/13/448639313.db2.gz VKQPQUMSPSNPQI-UHFFFAOYSA-N 1 2 327.432 1.040 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578870773 448657742 /nfs/dbraw/zinc/65/77/42/448657742.db2.gz DJAZCINNLOCBQY-ZDUSSCGKSA-N 1 2 335.385 1.947 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578870773 448657745 /nfs/dbraw/zinc/65/77/45/448657745.db2.gz DJAZCINNLOCBQY-ZDUSSCGKSA-N 1 2 335.385 1.947 20 30 EDEDLO COc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1OC(F)F ZINC000518278790 448660435 /nfs/dbraw/zinc/66/04/35/448660435.db2.gz PMYCXONYOPSMSF-OAHLLOKOSA-N 1 2 327.331 1.870 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC000592131189 448700597 /nfs/dbraw/zinc/70/05/97/448700597.db2.gz UCAGFMQSORQBAY-HNNXBMFYSA-N 1 2 334.370 1.200 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC000592131189 448700600 /nfs/dbraw/zinc/70/06/00/448700600.db2.gz UCAGFMQSORQBAY-HNNXBMFYSA-N 1 2 334.370 1.200 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCN4CC(F)(F)C[C@H]4C3)C2=O)cc1 ZINC000592131159 448700816 /nfs/dbraw/zinc/70/08/16/448700816.db2.gz SKQPPNBMWCUIBH-HOTGVXAUSA-N 1 2 346.381 1.689 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCN4CC(F)(F)C[C@H]4C3)C2=O)cc1 ZINC000592131159 448700819 /nfs/dbraw/zinc/70/08/19/448700819.db2.gz SKQPPNBMWCUIBH-HOTGVXAUSA-N 1 2 346.381 1.689 20 30 EDEDLO CN(C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1nc2ccccc2s1 ZINC000592150821 448712162 /nfs/dbraw/zinc/71/21/62/448712162.db2.gz HHTXNOZZLDXZHS-MRXNPFEDSA-N 1 2 330.413 1.610 20 30 EDEDLO CN(C(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1nc2ccccc2s1 ZINC000592150821 448712163 /nfs/dbraw/zinc/71/21/63/448712163.db2.gz HHTXNOZZLDXZHS-MRXNPFEDSA-N 1 2 330.413 1.610 20 30 EDEDLO N#CCCCNC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000543177943 448738107 /nfs/dbraw/zinc/73/81/07/448738107.db2.gz DJAMULVMPIUIMQ-UHFFFAOYSA-N 1 2 344.415 1.589 20 30 EDEDLO Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)nn1-c1cccc(C#N)c1 ZINC000587061866 448834543 /nfs/dbraw/zinc/83/45/43/448834543.db2.gz KSPOHUHQGLISAQ-OAHLLOKOSA-N 1 2 346.394 1.994 20 30 EDEDLO C[C@@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(C#N)c1 ZINC000587688425 448841413 /nfs/dbraw/zinc/84/14/13/448841413.db2.gz FEBPDFHRGACUCR-CYBMUJFWSA-N 1 2 347.378 1.700 20 30 EDEDLO CSCc1nc2ccccc2n1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000579544324 448815652 /nfs/dbraw/zinc/81/56/52/448815652.db2.gz NTKPJZFXLCHOIC-KRWDZBQOSA-N 1 2 345.472 1.859 20 30 EDEDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cnc2c(C#N)cnn2c1 ZINC000592512519 448872850 /nfs/dbraw/zinc/87/28/50/448872850.db2.gz JAWCXZVHVPTPPO-UHFFFAOYSA-N 1 2 340.431 1.825 20 30 EDEDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cnc2c(C#N)cnn2c1 ZINC000592512519 448872855 /nfs/dbraw/zinc/87/28/55/448872855.db2.gz JAWCXZVHVPTPPO-UHFFFAOYSA-N 1 2 340.431 1.825 20 30 EDEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1CCN(CC#N)CC1)C2 ZINC000568461651 448873249 /nfs/dbraw/zinc/87/32/49/448873249.db2.gz ALINCXKMDIOYSC-HNNXBMFYSA-N 1 2 343.475 1.990 20 30 EDEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1CCN(CC#N)CC1)CC2 ZINC000568461651 448873255 /nfs/dbraw/zinc/87/32/55/448873255.db2.gz ALINCXKMDIOYSC-HNNXBMFYSA-N 1 2 343.475 1.990 20 30 EDEDLO CCOCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000520483147 448902916 /nfs/dbraw/zinc/90/29/16/448902916.db2.gz ADOVVYMABQMAAA-OAHLLOKOSA-N 1 2 345.447 1.007 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000579970002 448925521 /nfs/dbraw/zinc/92/55/21/448925521.db2.gz WNZSQWLDPVHGNU-ZDUSSCGKSA-N 1 2 335.404 1.610 20 30 EDEDLO Cc1nsc(N2CC[NH+](CCNC(=O)NC(C)C)CC2)c1C#N ZINC000588815456 448933689 /nfs/dbraw/zinc/93/36/89/448933689.db2.gz DOCGVBHAUFTYAR-UHFFFAOYSA-N 1 2 336.465 1.153 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@]2(CCCOC2)O1 ZINC000574519038 448892434 /nfs/dbraw/zinc/89/24/34/448892434.db2.gz AZNWIWLOUBUSMF-GUYCJALGSA-N 1 2 327.388 1.371 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@]2(CCCOC2)O1 ZINC000574519038 448892440 /nfs/dbraw/zinc/89/24/40/448892440.db2.gz AZNWIWLOUBUSMF-GUYCJALGSA-N 1 2 327.388 1.371 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nnc(C3CC3)[nH]2)cc1 ZINC000568620841 448896022 /nfs/dbraw/zinc/89/60/22/448896022.db2.gz QGXACFINHVHLOX-UHFFFAOYSA-N 1 2 331.401 1.117 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)Cc1ccc(C#N)cc1)C2 ZINC000574815857 448963687 /nfs/dbraw/zinc/96/36/87/448963687.db2.gz JSQHAKCUGPLYOC-MRXNPFEDSA-N 1 2 338.411 1.272 20 30 EDEDLO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc(O)cc(C#N)c3)C2)CC1 ZINC000589180598 448983701 /nfs/dbraw/zinc/98/37/01/448983701.db2.gz REZBXBAMZMHPAX-HNNXBMFYSA-N 1 2 328.416 1.162 20 30 EDEDLO CCOC(=O)COCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000589255880 448998018 /nfs/dbraw/zinc/99/80/18/448998018.db2.gz QIODMDZTSAWIKM-UHFFFAOYSA-N 1 2 348.403 1.125 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000569439630 449025280 /nfs/dbraw/zinc/02/52/80/449025280.db2.gz OABAGDFGBBSZPM-FUHWJXTLSA-N 1 2 341.459 1.481 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000569439630 449025281 /nfs/dbraw/zinc/02/52/81/449025281.db2.gz OABAGDFGBBSZPM-FUHWJXTLSA-N 1 2 341.459 1.481 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CN1CCOc2ccc(Cl)cc21 ZINC000582006888 448991680 /nfs/dbraw/zinc/99/16/80/448991680.db2.gz ZXCSBBUQFSEQNP-MRXNPFEDSA-N 1 2 336.823 1.499 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000582219822 449038616 /nfs/dbraw/zinc/03/86/16/449038616.db2.gz SGCHYJHDOXRUEO-OAGGEKHMSA-N 1 2 325.453 1.330 20 30 EDEDLO Cc1cc(N2CC[C@@H]([NH2+]Cc3cccc(F)c3C#N)C2=O)n(C)n1 ZINC000589821277 449063683 /nfs/dbraw/zinc/06/36/83/449063683.db2.gz MXGULCFOFUQSIT-OAHLLOKOSA-N 1 2 327.363 1.634 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000548859112 449106723 /nfs/dbraw/zinc/10/67/23/449106723.db2.gz NLFSJKNVYQQERW-ZFWWWQNUSA-N 1 2 347.444 1.578 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[NH+](CCCF)CC2)cc1C#N ZINC000600072519 449171900 /nfs/dbraw/zinc/17/19/00/449171900.db2.gz WUQHJTHROAHSTG-UHFFFAOYSA-N 1 2 338.408 1.498 20 30 EDEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174136 449199552 /nfs/dbraw/zinc/19/95/52/449199552.db2.gz DXWHIINMHXORRW-MRXNPFEDSA-N 1 2 344.459 1.746 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839671 449200793 /nfs/dbraw/zinc/20/07/93/449200793.db2.gz HOWIDIULRDKFBZ-DNVCBOLYSA-N 1 2 342.443 1.665 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839671 449200800 /nfs/dbraw/zinc/20/08/00/449200800.db2.gz HOWIDIULRDKFBZ-DNVCBOLYSA-N 1 2 342.443 1.665 20 30 EDEDLO C=C(C)[C@@H](CO)[NH+]1CCN(c2ncc(C(=O)OCC)s2)CC1 ZINC000590698113 449251123 /nfs/dbraw/zinc/25/11/23/449251123.db2.gz ZDMYUGDZYLSIJT-GFCCVEGCSA-N 1 2 325.434 1.379 20 30 EDEDLO CC[C@H](C#N)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000593446858 449288935 /nfs/dbraw/zinc/28/89/35/449288935.db2.gz ZJHKGKVMAOBBTK-CYBMUJFWSA-N 1 2 341.415 1.926 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000594012483 449321564 /nfs/dbraw/zinc/32/15/64/449321564.db2.gz FSPSRJMINIXTAN-HZPDHXFCSA-N 1 2 329.444 1.916 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@](O)(CO)C2)c1C#N ZINC000590970140 449363294 /nfs/dbraw/zinc/36/32/94/449363294.db2.gz JBNDRMRWNCIPRV-GOSISDBHSA-N 1 2 326.400 1.372 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@](O)(CO)C2)c1C#N ZINC000590970140 449363297 /nfs/dbraw/zinc/36/32/97/449363297.db2.gz JBNDRMRWNCIPRV-GOSISDBHSA-N 1 2 326.400 1.372 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cc1O ZINC000598367064 449363742 /nfs/dbraw/zinc/36/37/42/449363742.db2.gz JJAROZSIINHVHK-IAGOWNOFSA-N 1 2 341.411 1.637 20 30 EDEDLO N#Cc1cc(O)cc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c1 ZINC000598367146 449364014 /nfs/dbraw/zinc/36/40/14/449364014.db2.gz OVLJIBRBIVDBEN-IAGOWNOFSA-N 1 2 341.411 1.637 20 30 EDEDLO N#Cc1cnc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)cn1 ZINC000596515635 449537544 /nfs/dbraw/zinc/53/75/44/449537544.db2.gz PKEDRQXAYLATPY-GOSISDBHSA-N 1 2 339.399 1.024 20 30 EDEDLO N#Cc1cnc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)cn1 ZINC000596515635 449537548 /nfs/dbraw/zinc/53/75/48/449537548.db2.gz PKEDRQXAYLATPY-GOSISDBHSA-N 1 2 339.399 1.024 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc3cnccn32)[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598620598 449498799 /nfs/dbraw/zinc/49/87/99/449498799.db2.gz YXEVBKGDLZIQRW-MCIONIFRSA-N 1 2 344.419 1.187 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc3cnccn32)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598620598 449498805 /nfs/dbraw/zinc/49/88/05/449498805.db2.gz YXEVBKGDLZIQRW-MCIONIFRSA-N 1 2 344.419 1.187 20 30 EDEDLO C=CCCn1cc(CS[C@H](C)C(=O)N2CC[NH+](CC)CC2)nn1 ZINC000594565927 449576791 /nfs/dbraw/zinc/57/67/91/449576791.db2.gz SAYMPXJWQQYTEO-CQSZACIVSA-N 1 2 337.493 1.640 20 30 EDEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596581450 449560673 /nfs/dbraw/zinc/56/06/73/449560673.db2.gz OTZPUUYDWNEGLI-FUHWJXTLSA-N 1 2 340.427 1.662 20 30 EDEDLO Cn1ncc(Cl)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596658691 449591445 /nfs/dbraw/zinc/59/14/45/449591445.db2.gz LLDVXMXFTZGFIV-UHFFFAOYSA-N 1 2 343.818 1.903 20 30 EDEDLO CCOC(=O)C1CC[NH+](Cc2cn([C@@H]3CC[C@H](C#N)C3)nn2)CC1 ZINC000600973063 449626288 /nfs/dbraw/zinc/62/62/88/449626288.db2.gz JCGZJYCRZGMMSP-XJKSGUPXSA-N 1 2 331.420 1.918 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)n1C ZINC000602616143 449707812 /nfs/dbraw/zinc/70/78/12/449707812.db2.gz KZZPVJLFKDMVNY-UHFFFAOYSA-N 1 2 339.399 1.401 20 30 EDEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000612529164 449755437 /nfs/dbraw/zinc/75/54/37/449755437.db2.gz KIXSULKYCBSDHV-GOSISDBHSA-N 1 2 334.416 1.155 20 30 EDEDLO CC1CCC(NC(=O)CN2CC[NH+](CC3(CC#N)CC3)CC2)CC1 ZINC000602788715 449809534 /nfs/dbraw/zinc/80/95/34/449809534.db2.gz TWOQJJLXSZNQGN-UHFFFAOYSA-N 1 2 332.492 1.993 20 30 EDEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854889 449862355 /nfs/dbraw/zinc/86/23/55/449862355.db2.gz DMWNWJQBZVKJTI-QLFBSQMISA-N 1 2 332.423 1.749 20 30 EDEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854889 449862360 /nfs/dbraw/zinc/86/23/60/449862360.db2.gz DMWNWJQBZVKJTI-QLFBSQMISA-N 1 2 332.423 1.749 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)NCCOc2ccc(F)cc2)C[C@@H](C)N1CC#N ZINC000602856812 449864675 /nfs/dbraw/zinc/86/46/75/449864675.db2.gz NVQMRZHFRSFVOP-HUUCEWRRSA-N 1 2 348.422 1.239 20 30 EDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000602862094 449870798 /nfs/dbraw/zinc/87/07/98/449870798.db2.gz KYUNPKOWYZGZMZ-HNNXBMFYSA-N 1 2 334.464 1.519 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1nccn1C)C(C)(C)CO ZINC000602885681 449892898 /nfs/dbraw/zinc/89/28/98/449892898.db2.gz YTXUFKSUAPUCSM-DZGCQCFKSA-N 1 2 335.452 1.077 20 30 EDEDLO CC1(C)[C@H](NS(=O)(=O)CCCCC#N)C[C@@H]1[NH+]1CCOCC1 ZINC000601451828 449975529 /nfs/dbraw/zinc/97/55/29/449975529.db2.gz AWVNMWRJCMUVFH-KGLIPLIRSA-N 1 2 329.466 1.099 20 30 EDEDLO N#CCN1CCC(Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000609333761 450009342 /nfs/dbraw/zinc/00/93/42/450009342.db2.gz KSTLUKOSMMWHEE-AWEZNQCLSA-N 1 2 330.436 1.085 20 30 EDEDLO N#CCN1CCC(Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000609333761 450009345 /nfs/dbraw/zinc/00/93/45/450009345.db2.gz KSTLUKOSMMWHEE-AWEZNQCLSA-N 1 2 330.436 1.085 20 30 EDEDLO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000599564099 450064961 /nfs/dbraw/zinc/06/49/61/450064961.db2.gz DYVMBQLZDOCFKU-SJCJKPOMSA-N 1 2 331.372 1.149 20 30 EDEDLO COC(=O)[C@]1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000599564099 450064965 /nfs/dbraw/zinc/06/49/65/450064965.db2.gz DYVMBQLZDOCFKU-SJCJKPOMSA-N 1 2 331.372 1.149 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](C)O1 ZINC000599599180 450094275 /nfs/dbraw/zinc/09/42/75/450094275.db2.gz MEZIJUOXAWWUEG-PWSUYJOCSA-N 1 2 337.401 1.211 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](C)O1 ZINC000599599180 450094282 /nfs/dbraw/zinc/09/42/82/450094282.db2.gz MEZIJUOXAWWUEG-PWSUYJOCSA-N 1 2 337.401 1.211 20 30 EDEDLO N#C[C@]1(F)CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000615532246 450126982 /nfs/dbraw/zinc/12/69/82/450126982.db2.gz ZCXKMNLBRBNKKR-FUHWJXTLSA-N 1 2 346.406 1.707 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000613357200 450147315 /nfs/dbraw/zinc/14/73/15/450147315.db2.gz KBMJCGCTTSRQDR-UHFFFAOYSA-N 1 2 332.385 1.276 20 30 EDEDLO C[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000595462515 450158516 /nfs/dbraw/zinc/15/85/16/450158516.db2.gz VYFVKYDQQMLKHY-YOEHRIQHSA-N 1 2 328.416 1.735 20 30 EDEDLO C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H](C)O1 ZINC000601644394 450136892 /nfs/dbraw/zinc/13/68/92/450136892.db2.gz KFGMIWZFVBFNHA-VKJFTORMSA-N 1 2 342.443 1.951 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)c(F)c1 ZINC000610085847 450137394 /nfs/dbraw/zinc/13/73/94/450137394.db2.gz SJWIOEQWNQFDRV-UHFFFAOYSA-N 1 2 329.422 1.024 20 30 EDEDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000601738044 450202963 /nfs/dbraw/zinc/20/29/63/450202963.db2.gz NDOPOWBVQVBNCH-MSOLQXFVSA-N 1 2 342.443 1.316 20 30 EDEDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000601738044 450202966 /nfs/dbraw/zinc/20/29/66/450202966.db2.gz NDOPOWBVQVBNCH-MSOLQXFVSA-N 1 2 342.443 1.316 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000610390966 450205216 /nfs/dbraw/zinc/20/52/16/450205216.db2.gz DTJJCVHNJOYRDN-HOTGVXAUSA-N 1 2 344.463 1.081 20 30 EDEDLO Cc1cccn2cc(CCNC(=O)NC3CCN(CC#N)CC3)[nH+]c12 ZINC000610460514 450227772 /nfs/dbraw/zinc/22/77/72/450227772.db2.gz IUJPLYCOSSVKSV-UHFFFAOYSA-N 1 2 340.431 1.472 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601726528 450189733 /nfs/dbraw/zinc/18/97/33/450189733.db2.gz AAKPCAUJCXVQBB-UHFFFAOYSA-N 1 2 336.395 1.925 20 30 EDEDLO N#Cc1ccncc1N1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000597688674 450198643 /nfs/dbraw/zinc/19/86/43/450198643.db2.gz GIBUISAHTUYJEW-ZDUSSCGKSA-N 1 2 336.399 1.130 20 30 EDEDLO N#Cc1ccncc1N1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000597688674 450198652 /nfs/dbraw/zinc/19/86/52/450198652.db2.gz GIBUISAHTUYJEW-ZDUSSCGKSA-N 1 2 336.399 1.130 20 30 EDEDLO N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC000615793531 450241239 /nfs/dbraw/zinc/24/12/39/450241239.db2.gz OFRLLRJZDPMJBG-ZDUSSCGKSA-N 1 2 333.355 1.537 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCCOC3)CC2)cc1 ZINC000610560051 450260001 /nfs/dbraw/zinc/26/00/01/450260001.db2.gz SZGATOFQFRFTHL-OAHLLOKOSA-N 1 2 335.429 1.044 20 30 EDEDLO N#Cc1cc(NCC2([NH+]3CCOCC3)CC2)ncc1Br ZINC000603362729 450264422 /nfs/dbraw/zinc/26/44/22/450264422.db2.gz XXBAMSFOEKIJTB-UHFFFAOYSA-N 1 2 337.221 1.992 20 30 EDEDLO C=C[C@](C)(O)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000613745903 450293503 /nfs/dbraw/zinc/29/35/03/450293503.db2.gz PXEHXJOADYUBIH-KSSFIOAISA-N 1 2 331.416 1.599 20 30 EDEDLO C=CCCn1cc(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)nn1 ZINC000616873822 450507900 /nfs/dbraw/zinc/50/79/00/450507900.db2.gz SMTODMDPMHBRCX-ZDUSSCGKSA-N 1 2 332.408 1.077 20 30 EDEDLO N#CCc1ccccc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000619572500 450509168 /nfs/dbraw/zinc/50/91/68/450509168.db2.gz GYOLMHNBGXMLIB-UHFFFAOYSA-N 1 2 330.413 1.975 20 30 EDEDLO C=CCCOCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000620724769 450533993 /nfs/dbraw/zinc/53/39/93/450533993.db2.gz TUBRDSCWIHUAHR-GOSISDBHSA-N 1 2 331.460 1.512 20 30 EDEDLO C=CCCOCC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000620724769 450533994 /nfs/dbraw/zinc/53/39/94/450533994.db2.gz TUBRDSCWIHUAHR-GOSISDBHSA-N 1 2 331.460 1.512 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2c(C)cc(C)cc2C)nn1 ZINC000640772240 451570667 /nfs/dbraw/zinc/57/06/67/451570667.db2.gz MAWXIISZANWYEC-UHFFFAOYSA-N 1 2 325.416 1.955 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(=O)n3cc(Cl)ccc3n2)nn1 ZINC000640796374 451588847 /nfs/dbraw/zinc/58/88/47/451588847.db2.gz YYGADEQWEAODQT-UHFFFAOYSA-N 1 2 342.790 1.101 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N2CCCc3ccccc32)nn1 ZINC000640812377 451602169 /nfs/dbraw/zinc/60/21/69/451602169.db2.gz LDHSEMDGQOHPSQ-HNNXBMFYSA-N 1 2 337.427 1.931 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2nc(-c3ccccc3F)no2)nn1 ZINC000641123396 451755842 /nfs/dbraw/zinc/75/58/42/451755842.db2.gz KBJAEZOEQAAXQJ-UHFFFAOYSA-N 1 2 326.335 1.628 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000649188725 451895149 /nfs/dbraw/zinc/89/51/49/451895149.db2.gz QIRHRZQTMSVCQK-IRXDYDNUSA-N 1 2 332.469 1.667 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000645297891 452276220 /nfs/dbraw/zinc/27/62/20/452276220.db2.gz MAUCWJDRFBQIAB-SWLSCSKDSA-N 1 2 339.386 1.641 20 30 EDEDLO CC#CC[C@H](CO)Nc1nc(N[C@H](CO)CC#CC)c(F)c(C)[nH+]1 ZINC000664056538 452748719 /nfs/dbraw/zinc/74/87/19/452748719.db2.gz PGDAGLXQYBUYMJ-UONOGXRCSA-N 1 2 334.395 1.297 20 30 EDEDLO C=CCC1(C(=O)N2CC[NH+](CCOCCOC)CC2)CCOCC1 ZINC000652997441 453186279 /nfs/dbraw/zinc/18/62/79/453186279.db2.gz ZWABUDZMXQCLDA-UHFFFAOYSA-N 1 2 340.464 1.167 20 30 EDEDLO N#Cc1cc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c[nH]1 ZINC000181181066 534772519 /nfs/dbraw/zinc/77/25/19/534772519.db2.gz BORSGBZIULRSSI-UHFFFAOYSA-N 1 2 334.383 1.492 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000188696063 526748781 /nfs/dbraw/zinc/74/87/81/526748781.db2.gz IGDIFYKHVAOKAI-INIZCTEOSA-N 1 2 349.456 1.434 20 30 EDEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000132388618 527326514 /nfs/dbraw/zinc/32/65/14/527326514.db2.gz BQJJEYZFGYFESC-UHFFFAOYSA-N 1 2 340.445 1.586 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(c2nc(CC)ns2)CC1 ZINC000174515993 527608364 /nfs/dbraw/zinc/60/83/64/527608364.db2.gz GBPGIOAOGTXINY-UHFFFAOYSA-N 1 2 349.504 1.813 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(c2nc(CC)ns2)CC1 ZINC000174515993 527608370 /nfs/dbraw/zinc/60/83/70/527608370.db2.gz GBPGIOAOGTXINY-UHFFFAOYSA-N 1 2 349.504 1.813 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000174167788 528359338 /nfs/dbraw/zinc/35/93/38/528359338.db2.gz DFRVGZBOEUEUTE-UHFFFAOYSA-N 1 2 336.465 1.121 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000174167788 528359341 /nfs/dbraw/zinc/35/93/41/528359341.db2.gz DFRVGZBOEUEUTE-UHFFFAOYSA-N 1 2 336.465 1.121 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000125289746 528849398 /nfs/dbraw/zinc/84/93/98/528849398.db2.gz BULOZBMXNUWMBW-GOSISDBHSA-N 1 2 329.448 1.254 20 30 EDEDLO CN(C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1)c1nccnc1C#N ZINC000347927638 536437704 /nfs/dbraw/zinc/43/77/04/536437704.db2.gz PCRHLVNYSGIKQM-KGLIPLIRSA-N 1 2 329.383 1.131 20 30 EDEDLO CN(C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1)c1nccnc1C#N ZINC000347927638 536437705 /nfs/dbraw/zinc/43/77/05/536437705.db2.gz PCRHLVNYSGIKQM-KGLIPLIRSA-N 1 2 329.383 1.131 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000740886308 579388346 /nfs/dbraw/zinc/38/83/46/579388346.db2.gz GSUCTBJAAGHWPG-INIZCTEOSA-N 1 2 341.411 1.164 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000740886308 579388347 /nfs/dbraw/zinc/38/83/47/579388347.db2.gz GSUCTBJAAGHWPG-INIZCTEOSA-N 1 2 341.411 1.164 20 30 EDEDLO C=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)OCC ZINC000741384718 579414071 /nfs/dbraw/zinc/41/40/71/579414071.db2.gz QSMUSCVMMAJVCD-INIZCTEOSA-N 1 2 333.384 1.550 20 30 EDEDLO C=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)OCC ZINC000741384718 579414072 /nfs/dbraw/zinc/41/40/72/579414072.db2.gz QSMUSCVMMAJVCD-INIZCTEOSA-N 1 2 333.384 1.550 20 30 EDEDLO Cn1ccc(N2CCC[C@H](O[NH+]=C(N)c3ccc(F)cc3)C2=O)n1 ZINC000742353214 579449578 /nfs/dbraw/zinc/44/95/78/579449578.db2.gz VBQYMVZDVFJNQK-ZDUSSCGKSA-N 1 2 331.351 1.392 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000743258343 579474267 /nfs/dbraw/zinc/47/42/67/579474267.db2.gz QNDMQSBAYCRCQT-MRXNPFEDSA-N 1 2 337.851 1.293 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000743258343 579474268 /nfs/dbraw/zinc/47/42/68/579474268.db2.gz QNDMQSBAYCRCQT-MRXNPFEDSA-N 1 2 337.851 1.293 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726254027 578338209 /nfs/dbraw/zinc/33/82/09/578338209.db2.gz QGDOZCYGPIVMRD-CYBMUJFWSA-N 1 2 332.404 1.799 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726254027 578338211 /nfs/dbraw/zinc/33/82/11/578338211.db2.gz QGDOZCYGPIVMRD-CYBMUJFWSA-N 1 2 332.404 1.799 20 30 EDEDLO CC(C)N(C(=S)NCC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000749768799 578514719 /nfs/dbraw/zinc/51/47/19/578514719.db2.gz REDUGFQVHPEVQK-UHFFFAOYSA-N 1 2 332.473 1.980 20 30 EDEDLO C=CCNC(=O)[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000729252498 578562312 /nfs/dbraw/zinc/56/23/12/578562312.db2.gz DJGQEMFRAUSKIB-NSHDSACASA-N 1 2 344.327 1.628 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccccc1SCC#N ZINC000730227451 578635265 /nfs/dbraw/zinc/63/52/65/578635265.db2.gz FYHDWQXSVNKESN-CQSZACIVSA-N 1 2 332.473 1.668 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000730275308 578638316 /nfs/dbraw/zinc/63/83/16/578638316.db2.gz ZDNCFSXNGCKCHZ-AWEZNQCLSA-N 1 2 339.392 1.233 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000730275308 578638317 /nfs/dbraw/zinc/63/83/17/578638317.db2.gz ZDNCFSXNGCKCHZ-AWEZNQCLSA-N 1 2 339.392 1.233 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000734485851 578816253 /nfs/dbraw/zinc/81/62/53/578816253.db2.gz DHFWQNBILMBJDX-WMZOPIPTSA-N 1 2 340.427 1.562 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000734485851 578816255 /nfs/dbraw/zinc/81/62/55/578816255.db2.gz DHFWQNBILMBJDX-WMZOPIPTSA-N 1 2 340.427 1.562 20 30 EDEDLO CN1CC[C@@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1=O ZINC000738331379 579186999 /nfs/dbraw/zinc/18/69/99/579186999.db2.gz JZSBZUGCVAMMLF-CZUORRHYSA-N 1 2 349.394 1.386 20 30 EDEDLO CN1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1=O ZINC000738331379 579187000 /nfs/dbraw/zinc/18/70/00/579187000.db2.gz JZSBZUGCVAMMLF-CZUORRHYSA-N 1 2 349.394 1.386 20 30 EDEDLO CC(C)C[N@H+](CCC#N)CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000739914919 579267480 /nfs/dbraw/zinc/26/74/80/579267480.db2.gz SQCXPQGBUFNUIO-UHFFFAOYSA-N 1 2 347.415 1.782 20 30 EDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000739914919 579267481 /nfs/dbraw/zinc/26/74/81/579267481.db2.gz SQCXPQGBUFNUIO-UHFFFAOYSA-N 1 2 347.415 1.782 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000739916464 579267740 /nfs/dbraw/zinc/26/77/40/579267740.db2.gz YEIJIUNSLYZEQA-WBVHZDCISA-N 1 2 339.399 1.776 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000739916464 579267741 /nfs/dbraw/zinc/26/77/41/579267741.db2.gz YEIJIUNSLYZEQA-WBVHZDCISA-N 1 2 339.399 1.776 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)CC1 ZINC000744425626 579510445 /nfs/dbraw/zinc/51/04/45/579510445.db2.gz YUYTZWTWJRHLMT-OAHLLOKOSA-N 1 2 343.402 1.264 20 30 EDEDLO N#CCn1c(C[N@H+]2CCC[C@@H](CC(N)=O)C2)nc2ccccc2c1=O ZINC000746674762 579606337 /nfs/dbraw/zinc/60/63/37/579606337.db2.gz JCMRGZGYNWWCDE-ZDUSSCGKSA-N 1 2 339.399 1.007 20 30 EDEDLO N#CCn1c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)nc2ccccc2c1=O ZINC000746674762 579606339 /nfs/dbraw/zinc/60/63/39/579606339.db2.gz JCMRGZGYNWWCDE-ZDUSSCGKSA-N 1 2 339.399 1.007 20 30 EDEDLO COc1ccc(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)cc1C#N ZINC000746704996 579607319 /nfs/dbraw/zinc/60/73/19/579607319.db2.gz LDULDMJSPGCTPI-OAHLLOKOSA-N 1 2 339.399 1.930 20 30 EDEDLO COc1ccc(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)cc1C#N ZINC000746704996 579607320 /nfs/dbraw/zinc/60/73/20/579607320.db2.gz LDULDMJSPGCTPI-OAHLLOKOSA-N 1 2 339.399 1.930 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000747327543 579638331 /nfs/dbraw/zinc/63/83/31/579638331.db2.gz STRBVEXCCVFONQ-AWEZNQCLSA-N 1 2 349.438 1.896 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000748454059 579686765 /nfs/dbraw/zinc/68/67/65/579686765.db2.gz BNODABTVMHYLOI-SWLSCSKDSA-N 1 2 331.372 1.149 20 30 EDEDLO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000748454059 579686766 /nfs/dbraw/zinc/68/67/66/579686766.db2.gz BNODABTVMHYLOI-SWLSCSKDSA-N 1 2 331.372 1.149 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000750217147 579756150 /nfs/dbraw/zinc/75/61/50/579756150.db2.gz MNJFOVCNLXNUQU-CYBMUJFWSA-N 1 2 343.836 1.366 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000750217147 579756151 /nfs/dbraw/zinc/75/61/51/579756151.db2.gz MNJFOVCNLXNUQU-CYBMUJFWSA-N 1 2 343.836 1.366 20 30 EDEDLO CCOC(=O)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C1CCOCC1 ZINC000755195309 579922508 /nfs/dbraw/zinc/92/25/08/579922508.db2.gz ZVTRTWGZWHTLMV-IAGOWNOFSA-N 1 2 332.400 1.540 20 30 EDEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cccc([N+](=O)[O-])c1 ZINC000755481048 579927838 /nfs/dbraw/zinc/92/78/38/579927838.db2.gz IDJGJXOMMXGDRR-UHFFFAOYSA-N 1 2 344.375 1.919 20 30 EDEDLO C[C@H]1C[N@@H+](C2CC2)CC1=NNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000755892253 579937386 /nfs/dbraw/zinc/93/73/86/579937386.db2.gz RBAOOABBGRBABS-JTQLQIEISA-N 1 2 338.389 1.343 20 30 EDEDLO C[C@H]1C[N@H+](C2CC2)CC1=NNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000755892253 579937387 /nfs/dbraw/zinc/93/73/87/579937387.db2.gz RBAOOABBGRBABS-JTQLQIEISA-N 1 2 338.389 1.343 20 30 EDEDLO C[C@@H]1CC(=NNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C ZINC000761811198 580062149 /nfs/dbraw/zinc/06/21/49/580062149.db2.gz ICOCYOHNGVCBHF-SNVBAGLBSA-N 1 2 326.378 1.094 20 30 EDEDLO C[C@@H]1CC(=NNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[N@H+]1C ZINC000761811198 580062150 /nfs/dbraw/zinc/06/21/50/580062150.db2.gz ICOCYOHNGVCBHF-SNVBAGLBSA-N 1 2 326.378 1.094 20 30 EDEDLO C(=[NH+]Nc1ccc(-n2ccnc2)nn1)c1cnc(N2CCCC2)nc1 ZINC000761854485 580062623 /nfs/dbraw/zinc/06/26/23/580062623.db2.gz FPUYKBGXDFEFCE-UHFFFAOYSA-N 1 2 335.375 1.499 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(F)(F)C3(O)CCC3)CC2)cc1 ZINC000763280142 580096854 /nfs/dbraw/zinc/09/68/54/580096854.db2.gz AHXVRWBOHUUFQE-UHFFFAOYSA-N 1 2 349.381 1.753 20 30 EDEDLO C=CCCOCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763477305 580100669 /nfs/dbraw/zinc/10/06/69/580100669.db2.gz PIRUQJDRQIKZSY-CQSZACIVSA-N 1 2 341.452 1.246 20 30 EDEDLO C=CCCOCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763477305 580100670 /nfs/dbraw/zinc/10/06/70/580100670.db2.gz PIRUQJDRQIKZSY-CQSZACIVSA-N 1 2 341.452 1.246 20 30 EDEDLO COc1ccc(Cn2nc(C)c(C=NNC3=[NH+]C[C@@H](C)N3)c2C)cc1 ZINC000767385439 580188078 /nfs/dbraw/zinc/18/80/78/580188078.db2.gz IVSQXDWLEMMVAI-GFCCVEGCSA-N 1 2 340.431 1.828 20 30 EDEDLO N#CCCCOC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767536290 580192330 /nfs/dbraw/zinc/19/23/30/580192330.db2.gz FUSKOSMCQVSZHZ-UHFFFAOYSA-N 1 2 330.388 1.357 20 30 EDEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000768740386 580219386 /nfs/dbraw/zinc/21/93/86/580219386.db2.gz WUGFYKAPVXQZKQ-UHFFFAOYSA-N 1 2 341.371 1.273 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772050874 580301855 /nfs/dbraw/zinc/30/18/55/580301855.db2.gz RKGMXRITLSCNHD-SWLSCSKDSA-N 1 2 327.450 1.021 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772050874 580301856 /nfs/dbraw/zinc/30/18/56/580301856.db2.gz RKGMXRITLSCNHD-SWLSCSKDSA-N 1 2 327.450 1.021 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CCCO1 ZINC000773166102 580329357 /nfs/dbraw/zinc/32/93/57/580329357.db2.gz RQKHLKPPLSAOSL-HZPDHXFCSA-N 1 2 328.416 1.662 20 30 EDEDLO CC(C)OCC(N)=[NH+]O[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000778593202 580468122 /nfs/dbraw/zinc/46/81/22/580468122.db2.gz XXTSVWWNDSZTCP-OAHLLOKOSA-N 1 2 330.388 1.977 20 30 EDEDLO COC(=O)c1cccc(CON=C(N)C[NH+]2CCSCC2)c1C#N ZINC000780127891 580514405 /nfs/dbraw/zinc/51/44/05/580514405.db2.gz AKIKRGVXKZCOML-UHFFFAOYSA-N 1 2 348.428 1.392 20 30 EDEDLO N#Cc1ccc([C@@H](O)C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000780927222 580537767 /nfs/dbraw/zinc/53/77/67/580537767.db2.gz GJKPPCXHIWRCNT-CYBMUJFWSA-N 1 2 338.289 1.667 20 30 EDEDLO N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)nc1 ZINC000782129618 580567008 /nfs/dbraw/zinc/56/70/08/580567008.db2.gz AABMTPOMYRHZDI-UHFFFAOYSA-N 1 2 346.350 1.394 20 30 EDEDLO C#CCOc1ccc(NC(=O)C(=O)N2CCn3cc(C)[nH+]c3C2)cc1 ZINC000782828752 580585772 /nfs/dbraw/zinc/58/57/72/580585772.db2.gz IUTRYGWHUSHQSI-UHFFFAOYSA-N 1 2 338.367 1.184 20 30 EDEDLO S=C(NC[C@@H]1CCCO1)NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783800331 580606760 /nfs/dbraw/zinc/60/67/60/580606760.db2.gz RMPWDUJCNHDCHS-LBPRGKRZSA-N 1 2 335.458 1.911 20 30 EDEDLO Cn1ncc2c1ncn(N=Cc1cc(-n3cc[nH+]c3)cs1)c2=O ZINC000783823182 580607166 /nfs/dbraw/zinc/60/71/66/580607166.db2.gz BUOQMBJNMACFGO-UHFFFAOYSA-N 1 2 325.357 1.259 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3C[C@@H](C(F)F)CC3=O)C2)nc1 ZINC000793593596 580848524 /nfs/dbraw/zinc/84/85/24/580848524.db2.gz VTXBKPQOGBEJQA-STQMWFEESA-N 1 2 336.342 1.477 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3C[C@@H](C(F)F)CC3=O)C2)nc1 ZINC000793593596 580848525 /nfs/dbraw/zinc/84/85/25/580848525.db2.gz VTXBKPQOGBEJQA-STQMWFEESA-N 1 2 336.342 1.477 20 30 EDEDLO CC(C)[C@@H]1CCCC(=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000794469487 580893635 /nfs/dbraw/zinc/89/36/35/580893635.db2.gz OQCMTDPKUAWWFJ-CQSZACIVSA-N 1 2 326.510 1.985 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C[C@@H]21 ZINC000794968808 580909275 /nfs/dbraw/zinc/90/92/75/580909275.db2.gz RSHWQBNAIIYLQB-VQFNDLOPSA-N 1 2 336.395 1.903 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c(C#N)c(C)nn3-c3ccccc3)C[C@@H]21 ZINC000794968808 580909276 /nfs/dbraw/zinc/90/92/76/580909276.db2.gz RSHWQBNAIIYLQB-VQFNDLOPSA-N 1 2 336.395 1.903 20 30 EDEDLO C#CC[N@@H+](CC(=O)N[C@H](C(=O)OC)[C@H](C)CC)Cc1ccccc1 ZINC000796641046 580958796 /nfs/dbraw/zinc/95/87/96/580958796.db2.gz UWOMLKNALJNLOF-QAPCUYQASA-N 1 2 330.428 1.826 20 30 EDEDLO C#CC[N@H+](CC(=O)N[C@H](C(=O)OC)[C@H](C)CC)Cc1ccccc1 ZINC000796641046 580958797 /nfs/dbraw/zinc/95/87/97/580958797.db2.gz UWOMLKNALJNLOF-QAPCUYQASA-N 1 2 330.428 1.826 20 30 EDEDLO C[C@H](C#N)OCCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000801657428 581082010 /nfs/dbraw/zinc/08/20/10/581082010.db2.gz KBSTVROHHITTAA-GDBMZVCRSA-N 1 2 342.403 1.175 20 30 EDEDLO C[C@H](C#N)OCCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000801657428 581082011 /nfs/dbraw/zinc/08/20/11/581082011.db2.gz KBSTVROHHITTAA-GDBMZVCRSA-N 1 2 342.403 1.175 20 30 EDEDLO C#C[C@@H]1CCCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000890656046 590694077 /nfs/dbraw/zinc/69/40/77/590694077.db2.gz TWFDWWJBYPXJFW-CVEARBPZSA-N 1 2 330.432 1.497 20 30 EDEDLO C#C[C@@H]1CCCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000890656046 590694081 /nfs/dbraw/zinc/69/40/81/590694081.db2.gz TWFDWWJBYPXJFW-CVEARBPZSA-N 1 2 330.432 1.497 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnn(C)c1C1CC1 ZINC000892222785 590872355 /nfs/dbraw/zinc/87/23/55/590872355.db2.gz AKAJERRDUOANDM-ZDUSSCGKSA-N 1 2 337.431 1.670 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnn(C)c1C1CC1 ZINC000892222785 590872356 /nfs/dbraw/zinc/87/23/56/590872356.db2.gz AKAJERRDUOANDM-ZDUSSCGKSA-N 1 2 337.431 1.670 20 30 EDEDLO C#C[C@H]1CCCCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000892258810 590891481 /nfs/dbraw/zinc/89/14/81/590891481.db2.gz KAFUGYTUBZDSAG-RDJZCZTQSA-N 1 2 337.489 1.392 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)COc2cccc(C#N)c2)C[N@@H+]1C ZINC000893566869 590966186 /nfs/dbraw/zinc/96/61/86/590966186.db2.gz OSWLRBAYALGCJM-YOEHRIQHSA-N 1 2 332.356 1.116 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)COc2cccc(C#N)c2)C[N@H+]1C ZINC000893566869 590966188 /nfs/dbraw/zinc/96/61/88/590966188.db2.gz OSWLRBAYALGCJM-YOEHRIQHSA-N 1 2 332.356 1.116 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@H](C)Cc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893571592 590972686 /nfs/dbraw/zinc/97/26/86/590972686.db2.gz BVODJSSUHDYNEQ-NRXGSXMXSA-N 1 2 344.411 1.916 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@H](C)Cc2ccc(C#N)cc2)C[N@H+]1C ZINC000893571592 590972689 /nfs/dbraw/zinc/97/26/89/590972689.db2.gz BVODJSSUHDYNEQ-NRXGSXMXSA-N 1 2 344.411 1.916 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc3oc(=O)oc3c2)CC1 ZINC000893916088 591137063 /nfs/dbraw/zinc/13/70/63/591137063.db2.gz DBIAPLOAJVHMTK-UHFFFAOYSA-N 1 2 336.351 1.975 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3[nH]c(C)cc3c2)C1 ZINC000891608167 591146243 /nfs/dbraw/zinc/14/62/43/591146243.db2.gz XKBYURMBFYJWRE-MRXNPFEDSA-N 1 2 338.411 1.629 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3[nH]c(C)cc3c2)C1 ZINC000891608167 591146246 /nfs/dbraw/zinc/14/62/46/591146246.db2.gz XKBYURMBFYJWRE-MRXNPFEDSA-N 1 2 338.411 1.629 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C)cc2C)C1 ZINC000891606690 591147754 /nfs/dbraw/zinc/14/77/54/591147754.db2.gz IDDCHWKFUFFHQW-OAHLLOKOSA-N 1 2 342.443 1.213 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N(C)C)cc2C)C1 ZINC000891606690 591147757 /nfs/dbraw/zinc/14/77/57/591147757.db2.gz IDDCHWKFUFFHQW-OAHLLOKOSA-N 1 2 342.443 1.213 20 30 EDEDLO Cc1c(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cnn1CCC#N ZINC000891689292 591186318 /nfs/dbraw/zinc/18/63/18/591186318.db2.gz MZDLIIWTZSAQOS-UHFFFAOYSA-N 1 2 333.436 1.288 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000895921648 591305139 /nfs/dbraw/zinc/30/51/39/591305139.db2.gz PECVIXQQTGGDGN-UHFFFAOYSA-N 1 2 333.413 1.018 20 30 EDEDLO C=CCc1ccc(OCC(=O)N[C@H](CO)c2c[nH+]cn2C)c(OC)c1 ZINC000898880864 591573466 /nfs/dbraw/zinc/57/34/66/591573466.db2.gz HBVCAJMEGXJDKO-CQSZACIVSA-N 1 2 345.399 1.386 20 30 EDEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898906700 591593702 /nfs/dbraw/zinc/59/37/02/591593702.db2.gz ODKJQXGFFQJBQF-KRWDZBQOSA-N 1 2 334.420 1.996 20 30 EDEDLO Cc1[nH+]c2ccccn2c1CNC(=O)N1CCN(CCC#N)CC1 ZINC000898958726 591616619 /nfs/dbraw/zinc/61/66/19/591616619.db2.gz FCILDCHTKOCAJU-UHFFFAOYSA-N 1 2 326.404 1.384 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](Cc2c(I)cnn2C)C1 ZINC000895182088 591644640 /nfs/dbraw/zinc/64/46/40/591644640.db2.gz AEEUSHWFEFPTEN-JTQLQIEISA-N 1 2 329.185 1.870 20 30 EDEDLO C#C[C@H]1CCC[N@H+](Cc2c(I)cnn2C)C1 ZINC000895182088 591644642 /nfs/dbraw/zinc/64/46/42/591644642.db2.gz AEEUSHWFEFPTEN-JTQLQIEISA-N 1 2 329.185 1.870 20 30 EDEDLO N#Cc1ccc(SCC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000899058536 591655691 /nfs/dbraw/zinc/65/56/91/591655691.db2.gz REOBJXQGVKNXFO-UHFFFAOYSA-N 1 2 347.440 1.215 20 30 EDEDLO N#Cc1ccc(SCC(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000899058536 591655693 /nfs/dbraw/zinc/65/56/93/591655693.db2.gz REOBJXQGVKNXFO-UHFFFAOYSA-N 1 2 347.440 1.215 20 30 EDEDLO CC(C)(C/[NH+]=C/c1ccc(O)c(O)c1O)[C@@H]1COCC12OCCO2 ZINC000840709473 591682536 /nfs/dbraw/zinc/68/25/36/591682536.db2.gz DIMMZVUFBXAFFW-VXSOZLBZSA-N 1 2 337.372 1.638 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c[nH+]1 ZINC000897824175 591684044 /nfs/dbraw/zinc/68/40/44/591684044.db2.gz WPJKYCVAJVDPKX-OAHLLOKOSA-N 1 2 339.399 1.873 20 30 EDEDLO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900030440 591872249 /nfs/dbraw/zinc/87/22/49/591872249.db2.gz ZUKJSERBZPIQGN-MRXNPFEDSA-N 1 2 327.363 1.500 20 30 EDEDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C#N)ccc2OC)C1 ZINC000900438581 592018367 /nfs/dbraw/zinc/01/83/67/592018367.db2.gz HYAUUESPHUROGO-CQSZACIVSA-N 1 2 345.399 1.780 20 30 EDEDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C#N)ccc2OC)C1 ZINC000900438581 592018370 /nfs/dbraw/zinc/01/83/70/592018370.db2.gz HYAUUESPHUROGO-CQSZACIVSA-N 1 2 345.399 1.780 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000900690822 592095695 /nfs/dbraw/zinc/09/56/95/592095695.db2.gz SMVYORSDRCNPKZ-CQSZACIVSA-N 1 2 326.318 1.516 20 30 EDEDLO C#CCOc1cccc(OC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC000903190788 592136080 /nfs/dbraw/zinc/13/60/80/592136080.db2.gz ZYFOVJCVUKIFHY-MSOLQXFVSA-N 1 2 345.395 1.484 20 30 EDEDLO N#C[C@]1(C(=O)N2CC[NH+](CCn3cncn3)CC2)CC2CCC1CC2 ZINC000906775081 592327265 /nfs/dbraw/zinc/32/72/65/592327265.db2.gz NUOJHHOHTGDXLW-LEOMRAHMSA-N 1 2 342.447 1.142 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc([C@@H]2CCc3ccccc3C2)no1 ZINC000904096218 592430573 /nfs/dbraw/zinc/43/05/73/592430573.db2.gz GVYKXZDCXWNSOJ-CABCVRRESA-N 1 2 327.384 1.941 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000907162849 592530360 /nfs/dbraw/zinc/53/03/60/592530360.db2.gz LNGTULCMIWEPBH-GASCZTMLSA-N 1 2 336.457 1.398 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000907162849 592530363 /nfs/dbraw/zinc/53/03/63/592530363.db2.gz LNGTULCMIWEPBH-GASCZTMLSA-N 1 2 336.457 1.398 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000907159955 592542266 /nfs/dbraw/zinc/54/22/66/592542266.db2.gz QCPJCSLLCNNSGB-OAHLLOKOSA-N 1 2 329.425 1.970 20 30 EDEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N(C)[C@H]1CC[C@H]1OC ZINC000908695014 592574648 /nfs/dbraw/zinc/57/46/48/592574648.db2.gz JRDOVSUEFDFMPU-XQLPTFJDSA-N 1 2 335.452 1.469 20 30 EDEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N(C)[C@H]1CC[C@H]1OC ZINC000908695014 592574650 /nfs/dbraw/zinc/57/46/50/592574650.db2.gz JRDOVSUEFDFMPU-XQLPTFJDSA-N 1 2 335.452 1.469 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000907420487 592641857 /nfs/dbraw/zinc/64/18/57/592641857.db2.gz VBBBKZDKEXLMIS-HZPDHXFCSA-N 1 2 336.482 1.526 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000907420487 592641860 /nfs/dbraw/zinc/64/18/60/592641860.db2.gz VBBBKZDKEXLMIS-HZPDHXFCSA-N 1 2 336.482 1.526 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+]([C@H](C)c2nc3ccccc3s2)CC1 ZINC000026892798 592741702 /nfs/dbraw/zinc/74/17/02/592741702.db2.gz AYDQASCODJMCIQ-CQSZACIVSA-N 1 2 342.468 1.724 20 30 EDEDLO C=CCC1(NC(=O)c2coc(C[N@H+]3CC[C@H](O)C3)n2)CCOCC1 ZINC000912456266 593098152 /nfs/dbraw/zinc/09/81/52/593098152.db2.gz DZSYMJCJFDXLQB-ZDUSSCGKSA-N 1 2 335.404 1.096 20 30 EDEDLO C=CCC1(NC(=O)c2coc(C[N@@H+]3CC[C@H](O)C3)n2)CCOCC1 ZINC000912456266 593098153 /nfs/dbraw/zinc/09/81/53/593098153.db2.gz DZSYMJCJFDXLQB-ZDUSSCGKSA-N 1 2 335.404 1.096 20 30 EDEDLO C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000802568685 593264118 /nfs/dbraw/zinc/26/41/18/593264118.db2.gz JJKULTVVNYPYNF-NSHDSACASA-N 1 2 344.321 1.212 20 30 EDEDLO CC1(C)C[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@@H]2COC[C@@H]21 ZINC000840150754 593298577 /nfs/dbraw/zinc/29/85/77/593298577.db2.gz YJKXQSIIXZPDDM-DLBZAZTESA-N 1 2 327.428 1.913 20 30 EDEDLO CC1(C)C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@@H]2COC[C@@H]21 ZINC000840150754 593298578 /nfs/dbraw/zinc/29/85/78/593298578.db2.gz YJKXQSIIXZPDDM-DLBZAZTESA-N 1 2 327.428 1.913 20 30 EDEDLO Cc1nsc(N2CC[NH+](C[C@H]3CC4(CC4)C(=O)O3)CC2)c1C#N ZINC000810064255 593378871 /nfs/dbraw/zinc/37/88/71/593378871.db2.gz YTSJGPXHNRHOMG-GFCCVEGCSA-N 1 2 332.429 1.541 20 30 EDEDLO C[C@H]1C[C@H]1CN=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000758369489 593402181 /nfs/dbraw/zinc/40/21/81/593402181.db2.gz HBARPNQQNMLMOA-KBPBESRZSA-N 1 2 336.461 1.676 20 30 EDEDLO CN(CCC#N)c1ccc(CN2CC[NH+](CC[S@](C)=O)CC2)cc1 ZINC000769481302 593444051 /nfs/dbraw/zinc/44/40/51/593444051.db2.gz TUACWBHHTXKVLZ-DEOSSOPVSA-N 1 2 348.516 1.533 20 30 EDEDLO CN(CCC#N)c1ccc(C[NH+]2CCN(CC[S@](C)=O)CC2)cc1 ZINC000769481302 593444053 /nfs/dbraw/zinc/44/40/53/593444053.db2.gz TUACWBHHTXKVLZ-DEOSSOPVSA-N 1 2 348.516 1.533 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000806665735 593463164 /nfs/dbraw/zinc/46/31/64/593463164.db2.gz QKKJKCKCKARSKE-OAHLLOKOSA-N 1 2 333.432 1.771 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000806665735 593463165 /nfs/dbraw/zinc/46/31/65/593463165.db2.gz QKKJKCKCKARSKE-OAHLLOKOSA-N 1 2 333.432 1.771 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000811789143 593482324 /nfs/dbraw/zinc/48/23/24/593482324.db2.gz ZQVJQKCRUWZNAF-UHFFFAOYSA-N 1 2 330.388 1.347 20 30 EDEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000820428278 593818195 /nfs/dbraw/zinc/81/81/95/593818195.db2.gz OQHOOZCALIBYRZ-CQSZACIVSA-N 1 2 331.416 1.553 20 30 EDEDLO COc1cc(C#N)ccc1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000824271982 593973067 /nfs/dbraw/zinc/97/30/67/593973067.db2.gz ZKENHJDMHIGQOM-MCIONIFRSA-N 1 2 331.416 1.794 20 30 EDEDLO COc1cc(C#N)ccc1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000824271982 593973069 /nfs/dbraw/zinc/97/30/69/593973069.db2.gz ZKENHJDMHIGQOM-MCIONIFRSA-N 1 2 331.416 1.794 20 30 EDEDLO COc1cncc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 ZINC000825509470 594194729 /nfs/dbraw/zinc/19/47/29/594194729.db2.gz LDZTVYXFFGTPAF-DZGCQCFKSA-N 1 2 332.404 1.939 20 30 EDEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[NH+]2CCN(C(=O)[O-])CC2)cc1 ZINC000823647827 594224512 /nfs/dbraw/zinc/22/45/12/594224512.db2.gz OGZOOCKTZRDBOC-HNNXBMFYSA-N 1 2 346.431 1.753 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000830627818 594442905 /nfs/dbraw/zinc/44/29/05/594442905.db2.gz OFVXYHBVWTXKAA-PACYTGELSA-N 1 2 330.428 1.560 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000830627818 594442907 /nfs/dbraw/zinc/44/29/07/594442907.db2.gz OFVXYHBVWTXKAA-PACYTGELSA-N 1 2 330.428 1.560 20 30 EDEDLO N#Cc1c(-c2nn[nH]n2)ncn1Cc1[nH+]ccn1Cc1ccccc1 ZINC000826383324 594453527 /nfs/dbraw/zinc/45/35/27/594453527.db2.gz VJHOQCKBOICVEV-UHFFFAOYSA-N 1 2 331.343 1.228 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826557734 594525601 /nfs/dbraw/zinc/52/56/01/594525601.db2.gz OXCVNYFFLWWOIM-MJGOQNOKSA-N 1 2 332.444 1.639 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826557734 594525603 /nfs/dbraw/zinc/52/56/03/594525603.db2.gz OXCVNYFFLWWOIM-MJGOQNOKSA-N 1 2 332.444 1.639 20 30 EDEDLO C#Cc1cnc(NCc2cccc(OCC[NH+]3CCOCC3)c2)nc1 ZINC000827458216 594674057 /nfs/dbraw/zinc/67/40/57/594674057.db2.gz ULFGUZLEJPOSBC-UHFFFAOYSA-N 1 2 338.411 1.781 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000831687896 594692800 /nfs/dbraw/zinc/69/28/00/594692800.db2.gz ZAUISLWCTAVROB-UHFFFAOYSA-N 1 2 333.432 1.772 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000831687909 594692805 /nfs/dbraw/zinc/69/28/05/594692805.db2.gz ZPABSIJJBWLAIW-RRFJBIMHSA-N 1 2 335.448 1.706 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000831691996 594693028 /nfs/dbraw/zinc/69/30/28/594693028.db2.gz ZJXJJISSVZZVLC-UHFFFAOYSA-N 1 2 333.344 1.752 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)C1 ZINC000832765195 594775125 /nfs/dbraw/zinc/77/51/25/594775125.db2.gz KSUPLMQLNINMJI-AWEZNQCLSA-N 1 2 328.416 1.656 20 30 EDEDLO CCCCC[C@H](C)NC(=O)CON=C(N)C[NH+]1CCSCC1 ZINC000121505309 594887098 /nfs/dbraw/zinc/88/70/98/594887098.db2.gz NURPZRSSYKDWBS-ZDUSSCGKSA-N 1 2 330.498 1.409 20 30 EDEDLO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC1=[NH+]CCN1 ZINC000841662873 594931789 /nfs/dbraw/zinc/93/17/89/594931789.db2.gz TVKGSEJQVCQFCY-UHFFFAOYSA-N 1 2 337.431 1.664 20 30 EDEDLO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]NC1=NCCN1 ZINC000841662873 594931791 /nfs/dbraw/zinc/93/17/91/594931791.db2.gz TVKGSEJQVCQFCY-UHFFFAOYSA-N 1 2 337.431 1.664 20 30 EDEDLO C#CC1CC[NH+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)CC1 ZINC000842633647 595150975 /nfs/dbraw/zinc/15/09/75/595150975.db2.gz LMFGGVIQWKLCKV-UHFFFAOYSA-N 1 2 347.488 1.888 20 30 EDEDLO C#CC[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C(=O)OC ZINC000837940105 595232640 /nfs/dbraw/zinc/23/26/40/595232640.db2.gz ZPLTZVPFAGUBJF-CVEARBPZSA-N 1 2 346.452 1.458 20 30 EDEDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(C#N)cc1C ZINC000842972638 595252166 /nfs/dbraw/zinc/25/21/66/595252166.db2.gz FGWPGVXLAGITMB-GOEBONIOSA-N 1 2 332.400 1.759 20 30 EDEDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc(C#N)cc1C ZINC000842972638 595252169 /nfs/dbraw/zinc/25/21/69/595252169.db2.gz FGWPGVXLAGITMB-GOEBONIOSA-N 1 2 332.400 1.759 20 30 EDEDLO C[C@H](CO)C1CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000844417657 595340429 /nfs/dbraw/zinc/34/04/29/595340429.db2.gz VSTAXZQCUQSAKH-CQSZACIVSA-N 1 2 340.427 1.760 20 30 EDEDLO CON1CC[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000846975148 595345131 /nfs/dbraw/zinc/34/51/31/595345131.db2.gz BBMHRIZCPHBRGG-CQSZACIVSA-N 1 2 337.383 1.403 20 30 EDEDLO CCOC(=O)C1=C(C[NH2+][C@H](CC)CC#N)NC(=O)N[C@@H]1c1ccco1 ZINC000846986929 595347091 /nfs/dbraw/zinc/34/70/91/595347091.db2.gz LCWROQRVYQFQNZ-IAQYHMDHSA-N 1 2 346.387 1.733 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000844530004 595355571 /nfs/dbraw/zinc/35/55/71/595355571.db2.gz ZMHHPBBCOWVVDS-HOCLYGCPSA-N 1 2 336.342 1.418 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000847295646 595389602 /nfs/dbraw/zinc/38/96/02/595389602.db2.gz NKJSQHPWSRBLNU-DOTOQJQBSA-N 1 2 337.489 1.249 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)NC2(c3ccc(C#N)cc3)CCC2)CCO1 ZINC000847306595 595391931 /nfs/dbraw/zinc/39/19/31/595391931.db2.gz SQLXXBVGVZAJQS-HNNXBMFYSA-N 1 2 342.443 1.957 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)NC2(c3ccc(C#N)cc3)CCC2)CCO1 ZINC000847306595 595391934 /nfs/dbraw/zinc/39/19/34/595391934.db2.gz SQLXXBVGVZAJQS-HNNXBMFYSA-N 1 2 342.443 1.957 20 30 EDEDLO C=CCCn1cc(Cn2nc(C)c([C@H]3COCC[N@H+]3C)c2C)nn1 ZINC000852964066 595632147 /nfs/dbraw/zinc/63/21/47/595632147.db2.gz LSLPNDKONSOENM-MRXNPFEDSA-N 1 2 330.436 1.719 20 30 EDEDLO C=CCCn1cc(Cn2nc(C)c([C@H]3COCC[N@@H+]3C)c2C)nn1 ZINC000852964066 595632148 /nfs/dbraw/zinc/63/21/48/595632148.db2.gz LSLPNDKONSOENM-MRXNPFEDSA-N 1 2 330.436 1.719 20 30 EDEDLO C=CCc1cc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc(OC)c1OC ZINC000857889993 595645410 /nfs/dbraw/zinc/64/54/10/595645410.db2.gz KRYVRNGWPJGUGA-CQSZACIVSA-N 1 2 327.384 1.984 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000113185507 595646461 /nfs/dbraw/zinc/64/64/61/595646461.db2.gz ZFDUOOJNVMFUKE-UHFFFAOYSA-N 1 2 327.359 1.801 20 30 EDEDLO C=CCCCCCOC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000860423488 595680928 /nfs/dbraw/zinc/68/09/28/595680928.db2.gz RZQBOTZLJDPHEM-HOTGVXAUSA-N 1 2 349.431 1.998 20 30 EDEDLO C#CCCCOc1cccnc1N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000853289690 595729473 /nfs/dbraw/zinc/72/94/73/595729473.db2.gz MSQVKMXNDRODIT-UHFFFAOYSA-N 1 2 339.443 1.930 20 30 EDEDLO Cc1[nH+]cc(C=NNc2ccc(S(=O)(=O)NC3CC3)cc2)n1C ZINC000853299518 595730993 /nfs/dbraw/zinc/73/09/93/595730993.db2.gz RQECXJPJDCSXBO-UHFFFAOYSA-N 1 2 333.417 1.615 20 30 EDEDLO C#CCCCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000858296306 595755929 /nfs/dbraw/zinc/75/59/29/595755929.db2.gz RWYHIABPDGRXPT-QGZVFWFLSA-N 1 2 330.432 1.385 20 30 EDEDLO C#CCCCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000858296306 595755930 /nfs/dbraw/zinc/75/59/30/595755930.db2.gz RWYHIABPDGRXPT-QGZVFWFLSA-N 1 2 330.432 1.385 20 30 EDEDLO C=CC[N@H+](CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)[C@H](C)COC ZINC000853532831 595788310 /nfs/dbraw/zinc/78/83/10/595788310.db2.gz NHHZTABCKORBOO-ZBFHGGJFSA-N 1 2 331.416 1.630 20 30 EDEDLO C=CC[N@@H+](CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)[C@H](C)COC ZINC000853532831 595788314 /nfs/dbraw/zinc/78/83/14/595788314.db2.gz NHHZTABCKORBOO-ZBFHGGJFSA-N 1 2 331.416 1.630 20 30 EDEDLO C=CC[N@H+](CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)[C@H](C)COC ZINC000853532239 595788436 /nfs/dbraw/zinc/78/84/36/595788436.db2.gz BFGROVWZZIVYLI-CQSZACIVSA-N 1 2 345.399 1.458 20 30 EDEDLO C=CC[N@@H+](CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)[C@H](C)COC ZINC000853532239 595788439 /nfs/dbraw/zinc/78/84/39/595788439.db2.gz BFGROVWZZIVYLI-CQSZACIVSA-N 1 2 345.399 1.458 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000853668409 595850874 /nfs/dbraw/zinc/85/08/74/595850874.db2.gz MQDFYDNUUMPZRX-UHFFFAOYSA-N 1 2 340.383 1.946 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2scnc21 ZINC000858945345 595929582 /nfs/dbraw/zinc/92/95/82/595929582.db2.gz BPYGDARVTCAJPV-UHFFFAOYSA-N 1 2 344.440 1.984 20 30 EDEDLO C#CCN(CC(=O)NCc1cn2ccccc2[nH+]1)C(=O)OC(C)(C)C ZINC000854256338 596016048 /nfs/dbraw/zinc/01/60/48/596016048.db2.gz NRKBBRIVLAVPGW-UHFFFAOYSA-N 1 2 342.399 1.821 20 30 EDEDLO N#Cc1cccc(CC(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856611260 596034221 /nfs/dbraw/zinc/03/42/21/596034221.db2.gz OCLMGDXYXFMBFA-ZWKOTPCHSA-N 1 2 348.406 1.478 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000852129144 596054766 /nfs/dbraw/zinc/05/47/66/596054766.db2.gz MBYNXMWEMQJOJL-AWEZNQCLSA-N 1 2 335.427 1.551 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1)C(C)C ZINC000852303869 596118827 /nfs/dbraw/zinc/11/88/27/596118827.db2.gz BJUSHWQDICFVCK-MOPGFXCFSA-N 1 2 342.487 1.760 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1)C(C)C ZINC000852303869 596118830 /nfs/dbraw/zinc/11/88/30/596118830.db2.gz BJUSHWQDICFVCK-MOPGFXCFSA-N 1 2 342.487 1.760 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852324123 596126157 /nfs/dbraw/zinc/12/61/57/596126157.db2.gz HIZLJUOSYZTJRG-RBUKOAKNSA-N 1 2 341.455 1.737 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1 ZINC000859543495 596127472 /nfs/dbraw/zinc/12/74/72/596127472.db2.gz YVQMKIFHPVTXNL-DEOSSOPVSA-N 1 2 347.484 1.359 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852430464 596155212 /nfs/dbraw/zinc/15/52/12/596155212.db2.gz HPRJDUVKEQRNBS-GXTWGEPZSA-N 1 2 328.372 1.412 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852430464 596155214 /nfs/dbraw/zinc/15/52/14/596155214.db2.gz HPRJDUVKEQRNBS-GXTWGEPZSA-N 1 2 328.372 1.412 20 30 EDEDLO N#CCOc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854730769 596178901 /nfs/dbraw/zinc/17/89/01/596178901.db2.gz QLRDUANKKHSCCV-HNNXBMFYSA-N 1 2 329.400 1.526 20 30 EDEDLO C#CCC[N@@H+](CCOC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000852749079 596237967 /nfs/dbraw/zinc/23/79/67/596237967.db2.gz OOKDZFPQODIDFF-UHFFFAOYSA-N 1 2 340.401 1.340 20 30 EDEDLO C#CCC[N@H+](CCOC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000852749079 596237968 /nfs/dbraw/zinc/23/79/68/596237968.db2.gz OOKDZFPQODIDFF-UHFFFAOYSA-N 1 2 340.401 1.340 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)cn1 ZINC000862422345 596326744 /nfs/dbraw/zinc/32/67/44/596326744.db2.gz XGAHCKDQACCWDT-UHFFFAOYSA-N 1 2 327.413 1.436 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000869024766 596384748 /nfs/dbraw/zinc/38/47/48/596384748.db2.gz QBMIHGBFQCUXEK-AWEZNQCLSA-N 1 2 341.452 1.029 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000869100887 596408682 /nfs/dbraw/zinc/40/86/82/596408682.db2.gz LKLHAMVKVAMUFL-QZTJIDSGSA-N 1 2 347.459 1.432 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000869100887 596408684 /nfs/dbraw/zinc/40/86/84/596408684.db2.gz LKLHAMVKVAMUFL-QZTJIDSGSA-N 1 2 347.459 1.432 20 30 EDEDLO CCc1ccc(C#CC(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000871218506 596500990 /nfs/dbraw/zinc/50/09/90/596500990.db2.gz UZFXEPJWRWLDOL-UHFFFAOYSA-N 1 2 348.450 1.777 20 30 EDEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@@H+](CCF)C2)c1 ZINC000867710875 596507977 /nfs/dbraw/zinc/50/79/77/596507977.db2.gz JXXOIRPATLHOLA-LBPRGKRZSA-N 1 2 345.827 1.924 20 30 EDEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@H+](CCF)C2)c1 ZINC000867710875 596507978 /nfs/dbraw/zinc/50/79/78/596507978.db2.gz JXXOIRPATLHOLA-LBPRGKRZSA-N 1 2 345.827 1.924 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)C1=O ZINC000865331069 596542208 /nfs/dbraw/zinc/54/22/08/596542208.db2.gz OSHLEVBYQGOPNY-IRXDYDNUSA-N 1 2 341.411 1.140 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)C1=O ZINC000865331069 596542211 /nfs/dbraw/zinc/54/22/11/596542211.db2.gz OSHLEVBYQGOPNY-IRXDYDNUSA-N 1 2 341.411 1.140 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2cc(C)on2)CC1 ZINC000871501272 596607981 /nfs/dbraw/zinc/60/79/81/596607981.db2.gz QCKRTWISEAVAKQ-CQSZACIVSA-N 1 2 342.447 1.892 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CSC[C@H]2OCCc3ccccc32)CC1 ZINC000871695988 596673618 /nfs/dbraw/zinc/67/36/18/596673618.db2.gz HDAFZAOQYSTSSQ-GOSISDBHSA-N 1 2 344.480 1.811 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C)c(N3CCOCC3)c2)CC1 ZINC000865796052 596687038 /nfs/dbraw/zinc/68/70/38/596687038.db2.gz WMZNETGTOAIGRV-UHFFFAOYSA-N 1 2 327.428 1.223 20 30 EDEDLO C[C@H](OC(=O)Cc1cn2cc(F)ccc2[nH+]1)C(=O)NC1(C#N)CCC1 ZINC000869973996 596695107 /nfs/dbraw/zinc/69/51/07/596695107.db2.gz ZQVNMOMDMZLYFJ-NSHDSACASA-N 1 2 344.346 1.510 20 30 EDEDLO CNC(=S)N(C)N=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872380745 596896708 /nfs/dbraw/zinc/89/67/08/596896708.db2.gz CCJREUKCPAVRLT-UHFFFAOYSA-N 1 2 336.461 1.168 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000872449977 596912691 /nfs/dbraw/zinc/91/26/91/596912691.db2.gz QGHAZSFUHMIPAK-UHFFFAOYSA-N 1 2 325.459 1.194 20 30 EDEDLO C=C[C@H](C)ONC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000875700145 596951538 /nfs/dbraw/zinc/95/15/38/596951538.db2.gz FNBGRZIZJCYKQK-LBPRGKRZSA-N 1 2 327.425 1.598 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000875830190 597001096 /nfs/dbraw/zinc/00/10/96/597001096.db2.gz NMTOZSZGLHSDLB-CQSZACIVSA-N 1 2 333.436 1.394 20 30 EDEDLO Cc1ccc([C@H]2CC(=O)N(C[NH+]3CCN(CCC#N)CC3)C2)cc1 ZINC000872733974 597051000 /nfs/dbraw/zinc/05/10/00/597051000.db2.gz TUADVKFLGWIYGU-SFHVURJKSA-N 1 2 326.444 1.800 20 30 EDEDLO C#CC[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2)C(=O)OC ZINC000877583753 597538798 /nfs/dbraw/zinc/53/87/98/597538798.db2.gz UEAAOKNSZXHKBR-BFHYXJOUSA-N 1 2 336.432 1.977 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(C)c(C(=O)OC)c2)CC1 ZINC000877893144 597562279 /nfs/dbraw/zinc/56/22/79/597562279.db2.gz LMTOLUBOYFJFMG-UHFFFAOYSA-N 1 2 345.443 1.201 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)nc1 ZINC000879565227 597633062 /nfs/dbraw/zinc/63/30/62/597633062.db2.gz MAOVROQYPZGSEF-KGLIPLIRSA-N 1 2 337.470 1.412 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3CSC[C@@H]3C2)nc1 ZINC000879565227 597633065 /nfs/dbraw/zinc/63/30/65/597633065.db2.gz MAOVROQYPZGSEF-KGLIPLIRSA-N 1 2 337.470 1.412 20 30 EDEDLO C#CC1(F)CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000883055510 597634555 /nfs/dbraw/zinc/63/45/55/597634555.db2.gz LXQOWWZQWNUCEB-MRXNPFEDSA-N 1 2 331.391 1.254 20 30 EDEDLO C#CC1(F)CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000883055510 597634559 /nfs/dbraw/zinc/63/45/59/597634559.db2.gz LXQOWWZQWNUCEB-MRXNPFEDSA-N 1 2 331.391 1.254 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000879610857 597657522 /nfs/dbraw/zinc/65/75/22/597657522.db2.gz ADPYBNOTOXKCOY-UAGQMJEPSA-N 1 2 331.416 1.058 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000879610857 597657523 /nfs/dbraw/zinc/65/75/23/597657523.db2.gz ADPYBNOTOXKCOY-UAGQMJEPSA-N 1 2 331.416 1.058 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000884125200 598002228 /nfs/dbraw/zinc/00/22/28/598002228.db2.gz SNDMPLYNKPSYHG-AWEZNQCLSA-N 1 2 329.400 1.582 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1c(F)cccc1OC(F)F ZINC000884169039 598013309 /nfs/dbraw/zinc/01/33/09/598013309.db2.gz VBYNHJFLDZTESA-NSHDSACASA-N 1 2 346.305 1.490 20 30 EDEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](CC(=O)OC)C2)cc1 ZINC000929797442 695228294 /nfs/dbraw/zinc/22/82/94/695228294.db2.gz DYQGCORDIASRMT-INIZCTEOSA-N 1 2 330.384 1.260 20 30 EDEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](CC(=O)OC)C2)cc1 ZINC000929797442 695228295 /nfs/dbraw/zinc/22/82/95/695228295.db2.gz DYQGCORDIASRMT-INIZCTEOSA-N 1 2 330.384 1.260 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060462495 695231006 /nfs/dbraw/zinc/23/10/06/695231006.db2.gz DKMKSGHJVRXOQM-KDOFPFPSSA-N 1 2 332.448 1.909 20 30 EDEDLO C=CCn1cc(C(=O)NC2C[NH+]([C@H](C)c3cccc(C)c3)C2)nn1 ZINC001031069517 695459977 /nfs/dbraw/zinc/45/99/77/695459977.db2.gz RBBIKCDLSALXHG-CQSZACIVSA-N 1 2 325.416 1.948 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(Cc2cc(OC)cc[nH+]2)C1 ZINC001031077469 695478570 /nfs/dbraw/zinc/47/85/70/695478570.db2.gz VYLKHXXGMOGQJY-ROUUACIJSA-N 1 2 345.443 1.762 20 30 EDEDLO C[C@H]1CO[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001031858274 700002035 /nfs/dbraw/zinc/00/20/35/700002035.db2.gz UNSOAELSDAQOQS-KDOFPFPSSA-N 1 2 330.403 1.650 20 30 EDEDLO Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)cn1 ZINC000993170854 695721399 /nfs/dbraw/zinc/72/13/99/695721399.db2.gz ODRDONTWGKWZNJ-CJNGLKHVSA-N 1 2 338.415 1.768 20 30 EDEDLO Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)cn1 ZINC000993170854 695721400 /nfs/dbraw/zinc/72/14/00/695721400.db2.gz ODRDONTWGKWZNJ-CJNGLKHVSA-N 1 2 338.415 1.768 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]23)nc1 ZINC001060535197 695832653 /nfs/dbraw/zinc/83/26/53/695832653.db2.gz KSDAENIGVVRAIT-OWCLPIDISA-N 1 2 336.399 1.499 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC000939934025 700050065 /nfs/dbraw/zinc/05/00/65/700050065.db2.gz HMUMZWZJNUBPTR-CYBMUJFWSA-N 1 2 348.366 1.407 20 30 EDEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001031276276 696103917 /nfs/dbraw/zinc/10/39/17/696103917.db2.gz SXPQFELSRPMQMU-UKRRQHHQSA-N 1 2 329.400 1.075 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2CCN(C(C)=O)CC2)C1 ZINC001046825622 696138273 /nfs/dbraw/zinc/13/82/73/696138273.db2.gz ZGZOCPXMKMQPPZ-INIZCTEOSA-N 1 2 327.856 1.578 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2CCN(C(C)=O)CC2)C1 ZINC001046825622 696138276 /nfs/dbraw/zinc/13/82/76/696138276.db2.gz ZGZOCPXMKMQPPZ-INIZCTEOSA-N 1 2 327.856 1.578 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc3nnnn3c2)[C@@H]1C ZINC000993607650 696255790 /nfs/dbraw/zinc/25/57/90/696255790.db2.gz YKMUYVMCFSGSBL-AAEUAGOBSA-N 1 2 334.811 1.460 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc3nnnn3c2)[C@@H]1C ZINC000993607650 696255793 /nfs/dbraw/zinc/25/57/93/696255793.db2.gz YKMUYVMCFSGSBL-AAEUAGOBSA-N 1 2 334.811 1.460 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccoc2CC(N)=O)[C@H]1C ZINC000993699799 696334844 /nfs/dbraw/zinc/33/48/44/696334844.db2.gz ALVJSSNWUXXVHR-YPMHNXCESA-N 1 2 339.823 1.643 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CC(N)=O)[C@H]1C ZINC000993699799 696334847 /nfs/dbraw/zinc/33/48/47/696334847.db2.gz ALVJSSNWUXXVHR-YPMHNXCESA-N 1 2 339.823 1.643 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nc3ncccn3n2)[C@H]1C ZINC000994046011 696505352 /nfs/dbraw/zinc/50/53/52/696505352.db2.gz VXPAFXIWOWODIG-VXGBXAGGSA-N 1 2 334.811 1.460 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nc3ncccn3n2)[C@H]1C ZINC000994046011 696505353 /nfs/dbraw/zinc/50/53/53/696505353.db2.gz VXPAFXIWOWODIG-VXGBXAGGSA-N 1 2 334.811 1.460 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994203275 696578616 /nfs/dbraw/zinc/57/86/16/696578616.db2.gz KVZVVFNEFORYCO-BBRMVZONSA-N 1 2 338.415 1.388 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)Cc2nc[nH]n2)CCC[N@H+]1Cc1ccccc1C#N ZINC000994203275 696578618 /nfs/dbraw/zinc/57/86/18/696578618.db2.gz KVZVVFNEFORYCO-BBRMVZONSA-N 1 2 338.415 1.388 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)C1 ZINC000939985198 700103430 /nfs/dbraw/zinc/10/34/30/700103430.db2.gz LVJLEDULLOFZIR-UKRRQHHQSA-N 1 2 330.432 1.282 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nc3nccc(C)n3n2)[C@@H]1C ZINC000994339838 696747452 /nfs/dbraw/zinc/74/74/52/696747452.db2.gz SFEKIUMNZAOKEA-STQMWFEESA-N 1 2 348.838 1.768 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nc3nccc(C)n3n2)[C@@H]1C ZINC000994339838 696747453 /nfs/dbraw/zinc/74/74/53/696747453.db2.gz SFEKIUMNZAOKEA-STQMWFEESA-N 1 2 348.838 1.768 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnn(CCOC)c2)[C@@H]1C ZINC000994334894 696749071 /nfs/dbraw/zinc/74/90/71/696749071.db2.gz AVHNVWXZLOPJNI-ZFWWWQNUSA-N 1 2 340.855 1.865 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(CCOC)c2)[C@@H]1C ZINC000994334894 696749073 /nfs/dbraw/zinc/74/90/73/696749073.db2.gz AVHNVWXZLOPJNI-ZFWWWQNUSA-N 1 2 340.855 1.865 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CCC[C@@H](O)C2)CC1=O ZINC000917141179 696953431 /nfs/dbraw/zinc/95/34/31/696953431.db2.gz PLSVHQXAIOECEZ-QWHCGFSZSA-N 1 2 340.427 1.950 20 30 EDEDLO N#CCN1CCC(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000917308121 696997808 /nfs/dbraw/zinc/99/78/08/696997808.db2.gz MYZCTXHHRVNEEQ-UHFFFAOYSA-N 1 2 342.447 1.655 20 30 EDEDLO C=CCOc1ccc(CC(=O)NC2CN(Cc3c[nH+]cn3C)C2)cc1 ZINC001031454394 697136943 /nfs/dbraw/zinc/13/69/43/697136943.db2.gz LZESCAXREQEFBS-UHFFFAOYSA-N 1 2 340.427 1.528 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CCC2(C1)CC[NH+](Cc1nnnn1C)CC2 ZINC001040831588 697192192 /nfs/dbraw/zinc/19/21/92/697192192.db2.gz VRGGVXXJXZHFNV-QGZVFWFLSA-N 1 2 346.479 1.627 20 30 EDEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)cn1 ZINC001031539421 697224352 /nfs/dbraw/zinc/22/43/52/697224352.db2.gz GXCUENWGQSWFLV-UHFFFAOYSA-N 1 2 327.363 1.293 20 30 EDEDLO N#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccnc(Cl)c3)C2)[nH]1 ZINC001031618642 697337385 /nfs/dbraw/zinc/33/73/85/697337385.db2.gz APRCZRIWLRPADC-UHFFFAOYSA-N 1 2 329.791 1.797 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)Cc2noc3c2CCCC3)C1 ZINC000919875691 697357073 /nfs/dbraw/zinc/35/70/73/697357073.db2.gz YRQUCIKSKCFBLF-ZDUSSCGKSA-N 1 2 337.445 1.070 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2noc3c2CCCC3)C1 ZINC000919875691 697357076 /nfs/dbraw/zinc/35/70/76/697357076.db2.gz YRQUCIKSKCFBLF-ZDUSSCGKSA-N 1 2 337.445 1.070 20 30 EDEDLO CC[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031866446 700155259 /nfs/dbraw/zinc/15/52/59/700155259.db2.gz IMPSNWKKDQDSKT-MSOLQXFVSA-N 1 2 327.428 1.921 20 30 EDEDLO C=CCO[C@@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060751146 697790363 /nfs/dbraw/zinc/79/03/63/697790363.db2.gz FGJGWMGABWXHNH-KKUMJFAQSA-N 1 2 348.447 1.335 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)CC1 ZINC000945387179 700210070 /nfs/dbraw/zinc/21/00/70/700210070.db2.gz WCYMAPOVYMASMC-DOTOQJQBSA-N 1 2 344.459 1.983 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943672853 698672880 /nfs/dbraw/zinc/67/28/80/698672880.db2.gz AHILPKZZZPUURL-XHDPSFHLSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943672853 698672882 /nfs/dbraw/zinc/67/28/82/698672882.db2.gz AHILPKZZZPUURL-XHDPSFHLSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1NC(=O)c1nc[nH]n1 ZINC000943672853 698672884 /nfs/dbraw/zinc/67/28/84/698672884.db2.gz AHILPKZZZPUURL-XHDPSFHLSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1NC(=O)c1nc[nH]n1 ZINC000943672853 698672885 /nfs/dbraw/zinc/67/28/85/698672885.db2.gz AHILPKZZZPUURL-XHDPSFHLSA-N 1 2 342.378 1.456 20 30 EDEDLO COc1cccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)n1 ZINC001032096951 698690324 /nfs/dbraw/zinc/69/03/24/698690324.db2.gz VZUBNTIRXBOSIH-UHFFFAOYSA-N 1 2 342.424 1.885 20 30 EDEDLO Cc1[nH]c(=O)[nH]c1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031750077 698929566 /nfs/dbraw/zinc/92/95/66/698929566.db2.gz CUYLQLVKBVQDRY-UHFFFAOYSA-N 1 2 343.362 1.296 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)c1n[nH]cc1F ZINC001031954892 701557985 /nfs/dbraw/zinc/55/79/85/701557985.db2.gz ISFROIVPYDBVMA-UHFFFAOYSA-N 1 2 346.793 1.916 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4ccc(C)cc4[nH]3)CC2)C1 ZINC000941506891 701563105 /nfs/dbraw/zinc/56/31/05/701563105.db2.gz SNPNOJXFCNJJOK-UHFFFAOYSA-N 1 2 336.439 1.552 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(CC)no3)C2)c1 ZINC000939114863 699196652 /nfs/dbraw/zinc/19/66/52/699196652.db2.gz ZLSHTYSIDAHNKD-SWLSCSKDSA-N 1 2 339.399 1.259 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CO[C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000941590400 701585466 /nfs/dbraw/zinc/58/54/66/701585466.db2.gz OBKSLODVWXIBNN-FUHWJXTLSA-N 1 2 333.476 1.043 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)CC2)C1 ZINC000941607113 701594808 /nfs/dbraw/zinc/59/48/08/701594808.db2.gz HMTPGQVCBJMJTQ-OAHLLOKOSA-N 1 2 339.439 1.085 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4sccc4[nH]3)CC2)C1 ZINC000941626618 701599045 /nfs/dbraw/zinc/59/90/45/701599045.db2.gz NXYFZHOGSPDDEM-UHFFFAOYSA-N 1 2 342.468 1.695 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3cc(C)ns3)C2)c1 ZINC001031963631 701603910 /nfs/dbraw/zinc/60/39/10/701603910.db2.gz QPAPZIMNANBSOE-UHFFFAOYSA-N 1 2 326.425 1.690 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(Cl)s3)CC2)C1 ZINC000941657315 701606904 /nfs/dbraw/zinc/60/69/04/701606904.db2.gz ZMLHRKWUFJGOMH-UHFFFAOYSA-N 1 2 337.876 1.867 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)c(C)s3)CC2)C1 ZINC000941660506 701608050 /nfs/dbraw/zinc/60/80/50/701608050.db2.gz OHNZZXJKKQHZLN-UHFFFAOYSA-N 1 2 331.485 1.830 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC000939618591 699755025 /nfs/dbraw/zinc/75/50/25/699755025.db2.gz YILXXHJQMAIITI-CXAGYDPISA-N 1 2 338.411 1.539 20 30 EDEDLO COc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)nn1C ZINC001031834596 699755786 /nfs/dbraw/zinc/75/57/86/699755786.db2.gz MLNNSANQDXPTCT-UHFFFAOYSA-N 1 2 345.428 1.224 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3cccc(OC)n3)C2)c1 ZINC001031965959 701614612 /nfs/dbraw/zinc/61/46/12/701614612.db2.gz ZJRQLHUEUPUBBI-UHFFFAOYSA-N 1 2 336.395 1.328 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3cncc(F)c3)CC2)C1 ZINC000941687217 701632577 /nfs/dbraw/zinc/63/25/77/701632577.db2.gz QVBYTPRIIYHYDS-UHFFFAOYSA-N 1 2 344.434 1.005 20 30 EDEDLO Cc1n[nH]cc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031889338 700633324 /nfs/dbraw/zinc/63/33/24/700633324.db2.gz ZDRQNUAFOXUYQI-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO CC1(C)C[N@H+](Cc2ncccn2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940693365 700835400 /nfs/dbraw/zinc/83/54/00/700835400.db2.gz RPAMBZPSJDJNBQ-HNNXBMFYSA-N 1 2 338.415 1.707 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ncccn2)CC[C@@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940693365 700835401 /nfs/dbraw/zinc/83/54/01/700835401.db2.gz RPAMBZPSJDJNBQ-HNNXBMFYSA-N 1 2 338.415 1.707 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873430 700970398 /nfs/dbraw/zinc/97/03/98/700970398.db2.gz NPIUDDKBGWXPMO-HUUCEWRRSA-N 1 2 340.489 1.051 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873430 700970400 /nfs/dbraw/zinc/97/04/00/700970400.db2.gz NPIUDDKBGWXPMO-HUUCEWRRSA-N 1 2 340.489 1.051 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)CC2(C)C)C1 ZINC000941018580 701058038 /nfs/dbraw/zinc/05/80/38/701058038.db2.gz YHZRPUYPKCAQCE-HNNXBMFYSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)CC2(C)C)C1 ZINC000941018580 701058039 /nfs/dbraw/zinc/05/80/39/701058039.db2.gz YHZRPUYPKCAQCE-HNNXBMFYSA-N 1 2 331.464 1.888 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CN(C(=O)C#CC3CC3)CC[C@@H]21 ZINC000945949671 701307438 /nfs/dbraw/zinc/30/74/38/701307438.db2.gz BZIYMSQZIRRDQM-WBVHZDCISA-N 1 2 340.427 1.123 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000946038427 701366198 /nfs/dbraw/zinc/36/61/98/701366198.db2.gz QSEDJJDTAKUGCV-LSDHHAIUSA-N 1 2 342.443 1.758 20 30 EDEDLO Cc1nocc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031945423 701495407 /nfs/dbraw/zinc/49/54/07/701495407.db2.gz ISRFOILNDOWBPH-UHFFFAOYSA-N 1 2 327.359 1.835 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH]nc3C2)C1 ZINC001032199621 701768058 /nfs/dbraw/zinc/76/80/58/701768058.db2.gz VAFVFUCZBIXMRY-HNNXBMFYSA-N 1 2 349.438 1.634 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC000999183819 706611661 /nfs/dbraw/zinc/61/16/61/706611661.db2.gz XVTLHTOZRWCJSM-KFWWJZLASA-N 1 2 334.420 1.440 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC000944394255 701828987 /nfs/dbraw/zinc/82/89/87/701828987.db2.gz PZGYEJPQKPEUOQ-UHFFFAOYSA-N 1 2 344.459 1.936 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC000944414542 701885056 /nfs/dbraw/zinc/88/50/56/701885056.db2.gz JLVNQCSBWDQQAG-CQSZACIVSA-N 1 2 343.431 1.343 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cccnc3OC)C2)cn1 ZINC001032136687 701900422 /nfs/dbraw/zinc/90/04/22/701900422.db2.gz FBHWVDSGLBQAKQ-UHFFFAOYSA-N 1 2 336.395 1.328 20 30 EDEDLO CCn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)nn1 ZINC000941929358 702155570 /nfs/dbraw/zinc/15/55/70/702155570.db2.gz LJZDXNKBYPQNNJ-SWLSCSKDSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1cc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H](C)C2)nn1 ZINC000941929358 702155573 /nfs/dbraw/zinc/15/55/73/702155573.db2.gz LJZDXNKBYPQNNJ-SWLSCSKDSA-N 1 2 341.419 1.138 20 30 EDEDLO Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)nc1 ZINC000941929575 702156894 /nfs/dbraw/zinc/15/68/94/702156894.db2.gz OIRRIVMFAHVKRU-UKRRQHHQSA-N 1 2 338.415 1.625 20 30 EDEDLO Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)nc1 ZINC000941929575 702156899 /nfs/dbraw/zinc/15/68/99/702156899.db2.gz OIRRIVMFAHVKRU-UKRRQHHQSA-N 1 2 338.415 1.625 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031987305 702415211 /nfs/dbraw/zinc/41/52/11/702415211.db2.gz HRZXJHIWBYXDJF-AEFFLSMTSA-N 1 2 343.402 1.836 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001031988435 702428941 /nfs/dbraw/zinc/42/89/41/702428941.db2.gz XCAXPZZIRRCDMT-WBVHZDCISA-N 1 2 331.416 1.691 20 30 EDEDLO COCc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)no1 ZINC001032032163 703083224 /nfs/dbraw/zinc/08/32/24/703083224.db2.gz NXSDQUYKMSTJDW-UHFFFAOYSA-N 1 2 346.412 1.616 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@@H]2C)CC1 ZINC000942599764 703114990 /nfs/dbraw/zinc/11/49/90/703114990.db2.gz FEVTURPAOWVVMM-WMLDXEAASA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)C[C@@H]2C)CC1 ZINC000942599764 703114991 /nfs/dbraw/zinc/11/49/91/703114991.db2.gz FEVTURPAOWVVMM-WMLDXEAASA-N 1 2 331.464 1.888 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@@H]2C)c1 ZINC000942617495 703131233 /nfs/dbraw/zinc/13/12/33/703131233.db2.gz PXKNGBWTRGXTHL-LRDDRELGSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)C[C@@H]2C)c1 ZINC000942617495 703131235 /nfs/dbraw/zinc/13/12/35/703131235.db2.gz PXKNGBWTRGXTHL-LRDDRELGSA-N 1 2 339.399 1.395 20 30 EDEDLO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032393780 703389687 /nfs/dbraw/zinc/38/96/87/703389687.db2.gz NIKGFTDVFYYFSC-XIRDDKMYSA-N 1 2 329.444 1.086 20 30 EDEDLO C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032393780 703389689 /nfs/dbraw/zinc/38/96/89/703389689.db2.gz NIKGFTDVFYYFSC-XIRDDKMYSA-N 1 2 329.444 1.086 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)c(OC)c1C ZINC001032465888 703648134 /nfs/dbraw/zinc/64/81/34/703648134.db2.gz ADKZKUHUNJTFFN-GJZGRUSLSA-N 1 2 328.412 1.934 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)c(OC)c1C ZINC001032465888 703648136 /nfs/dbraw/zinc/64/81/36/703648136.db2.gz ADKZKUHUNJTFFN-GJZGRUSLSA-N 1 2 328.412 1.934 20 30 EDEDLO CO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000944665831 703962085 /nfs/dbraw/zinc/96/20/85/703962085.db2.gz XTYCQIBHTRDZLT-NILFDRSVSA-N 1 2 344.415 1.122 20 30 EDEDLO CCn1ncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)n1 ZINC001033061690 703977001 /nfs/dbraw/zinc/97/70/01/703977001.db2.gz QKGWMMBOYGYYQG-INIZCTEOSA-N 1 2 338.415 1.516 20 30 EDEDLO CCn1ncc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC001033061690 703977002 /nfs/dbraw/zinc/97/70/02/703977002.db2.gz QKGWMMBOYGYYQG-INIZCTEOSA-N 1 2 338.415 1.516 20 30 EDEDLO Cc1nonc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001004263293 704100594 /nfs/dbraw/zinc/10/05/94/704100594.db2.gz KCBMXYNHXDKRTI-UHFFFAOYSA-N 1 2 343.362 1.783 20 30 EDEDLO C[C@@H]([NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C)c1csnn1 ZINC000995638850 704641642 /nfs/dbraw/zinc/64/16/42/704641642.db2.gz RYTSAZLPSUGYHO-YGRLFVJLSA-N 1 2 344.444 1.939 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000998025332 705210716 /nfs/dbraw/zinc/21/07/16/705210716.db2.gz IUQCHCGXXHVOOY-CVEARBPZSA-N 1 2 340.489 1.290 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCCS2(=O)=O)CC1 ZINC000998025332 705210720 /nfs/dbraw/zinc/21/07/20/705210720.db2.gz IUQCHCGXXHVOOY-CVEARBPZSA-N 1 2 340.489 1.290 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)[C@@H](C)C1 ZINC000945179454 705211100 /nfs/dbraw/zinc/21/11/00/705211100.db2.gz JIQIISIEZZZZPK-GOEBONIOSA-N 1 2 337.427 1.935 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)[C@@H](C)C1 ZINC000945179454 705211104 /nfs/dbraw/zinc/21/11/04/705211104.db2.gz JIQIISIEZZZZPK-GOEBONIOSA-N 1 2 337.427 1.935 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)[C@H](C)C1 ZINC000945179453 705211426 /nfs/dbraw/zinc/21/14/26/705211426.db2.gz JIQIISIEZZZZPK-GDBMZVCRSA-N 1 2 337.427 1.935 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2n[nH]nc2-c2ccccc2)[C@H](C)C1 ZINC000945179453 705211427 /nfs/dbraw/zinc/21/14/27/705211427.db2.gz JIQIISIEZZZZPK-GDBMZVCRSA-N 1 2 337.427 1.935 20 30 EDEDLO CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCCN(CC#N)CC1 ZINC000998053358 705256865 /nfs/dbraw/zinc/25/68/65/705256865.db2.gz RYIFCZSELMHGDM-HOTGVXAUSA-N 1 2 329.448 1.672 20 30 EDEDLO CC(C)CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 ZINC000998744863 706181654 /nfs/dbraw/zinc/18/16/54/706181654.db2.gz DEMLKXVVEFPVJN-UONOGXRCSA-N 1 2 333.436 1.898 20 30 EDEDLO C=C1CCC(C(=O)NC2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)CC1 ZINC000999108280 706535906 /nfs/dbraw/zinc/53/59/06/706535906.db2.gz OVBCLUFMDYYSPY-OAHLLOKOSA-N 1 2 342.443 1.519 20 30 EDEDLO C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001061617672 707252161 /nfs/dbraw/zinc/25/21/61/707252161.db2.gz MFPLJAWILJVGJC-ZBFHGGJFSA-N 1 2 348.447 1.288 20 30 EDEDLO C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001061617672 707252167 /nfs/dbraw/zinc/25/21/67/707252167.db2.gz MFPLJAWILJVGJC-ZBFHGGJFSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCO2)CC1 ZINC001005086108 707403295 /nfs/dbraw/zinc/40/32/95/707403295.db2.gz BJMNTUVXRSSOLA-ZDUSSCGKSA-N 1 2 331.254 1.997 20 30 EDEDLO CCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001069582723 707476795 /nfs/dbraw/zinc/47/67/95/707476795.db2.gz LVLQFZDYTSUOBA-BFHYXJOUSA-N 1 2 343.431 1.560 20 30 EDEDLO CCC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001069582723 707476801 /nfs/dbraw/zinc/47/68/01/707476801.db2.gz LVLQFZDYTSUOBA-BFHYXJOUSA-N 1 2 343.431 1.560 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001005112952 707593843 /nfs/dbraw/zinc/59/38/43/707593843.db2.gz RNUYITAIZRJLDO-WFASDCNBSA-N 1 2 332.448 1.826 20 30 EDEDLO CC(C)(C(=O)N1CC[C@@H](CNc2ccc(C#N)nc2)C1)c1c[nH+]c[nH]1 ZINC001060894554 707642913 /nfs/dbraw/zinc/64/29/13/707642913.db2.gz ODHWGMMZPWZTGG-ZDUSSCGKSA-N 1 2 338.415 1.915 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H](C)c3ncc(C)o3)C2)nn1 ZINC001033484231 707951362 /nfs/dbraw/zinc/95/13/62/707951362.db2.gz PFTCMFDRELCKQJ-KBPBESRZSA-N 1 2 344.419 1.668 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@H+]([C@@H](C)c3ncc(C)o3)C2)nn1 ZINC001033484231 707951366 /nfs/dbraw/zinc/95/13/66/707951366.db2.gz PFTCMFDRELCKQJ-KBPBESRZSA-N 1 2 344.419 1.668 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033497351 707993039 /nfs/dbraw/zinc/99/30/39/707993039.db2.gz MFGORZZNHUMGBI-ULQDDVLXSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033497351 707993042 /nfs/dbraw/zinc/99/30/42/707993042.db2.gz MFGORZZNHUMGBI-ULQDDVLXSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001033528920 708148080 /nfs/dbraw/zinc/14/80/80/708148080.db2.gz DAPRBMWKEXYPIJ-NSHDSACASA-N 1 2 340.811 1.024 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC001033528920 708148083 /nfs/dbraw/zinc/14/80/83/708148083.db2.gz DAPRBMWKEXYPIJ-NSHDSACASA-N 1 2 340.811 1.024 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C(=O)NC)n2)C1 ZINC001033627344 708367732 /nfs/dbraw/zinc/36/77/32/708367732.db2.gz DLHXUZSYFHPJQM-GFCCVEGCSA-N 1 2 336.823 1.340 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C(=O)NC)n2)C1 ZINC001033627344 708367737 /nfs/dbraw/zinc/36/77/37/708367737.db2.gz DLHXUZSYFHPJQM-GFCCVEGCSA-N 1 2 336.823 1.340 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]2C)C1 ZINC001005254213 708397270 /nfs/dbraw/zinc/39/72/70/708397270.db2.gz IWROSDKNEYMGLG-UONOGXRCSA-N 1 2 330.432 1.662 20 30 EDEDLO Cc1cnc(C[NH+]2CCC(N(C)C(=O)c3ccc(C#N)[nH]3)CC2)nc1 ZINC001005263028 708429379 /nfs/dbraw/zinc/42/93/79/708429379.db2.gz DWYUZGRVDMHODB-UHFFFAOYSA-N 1 2 338.415 1.721 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001033786595 708695833 /nfs/dbraw/zinc/69/58/33/708695833.db2.gz XEMWKJGNZCHEMH-INIZCTEOSA-N 1 2 340.431 1.839 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001033786595 708695834 /nfs/dbraw/zinc/69/58/34/708695834.db2.gz XEMWKJGNZCHEMH-INIZCTEOSA-N 1 2 340.431 1.839 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033796401 708727013 /nfs/dbraw/zinc/72/70/13/708727013.db2.gz TVXOQNOUGFKJJM-OAHLLOKOSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033796401 708727015 /nfs/dbraw/zinc/72/70/15/708727015.db2.gz TVXOQNOUGFKJJM-OAHLLOKOSA-N 1 2 327.388 1.919 20 30 EDEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001061086553 708933385 /nfs/dbraw/zinc/93/33/85/708933385.db2.gz NBZCXWCTGJNADV-HZPDHXFCSA-N 1 2 344.459 1.792 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(OC)n(C)n2)C1 ZINC001033891821 709005988 /nfs/dbraw/zinc/00/59/88/709005988.db2.gz GWRQGKMWIYJZAE-GFCCVEGCSA-N 1 2 326.828 1.718 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(OC)n(C)n2)C1 ZINC001033891821 709005990 /nfs/dbraw/zinc/00/59/90/709005990.db2.gz GWRQGKMWIYJZAE-GFCCVEGCSA-N 1 2 326.828 1.718 20 30 EDEDLO N#Cc1cncc(N[C@@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001061095988 709035108 /nfs/dbraw/zinc/03/51/08/709035108.db2.gz PHDAYBBAVYAKOI-CHWSQXEVSA-N 1 2 325.376 1.084 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033959569 709142216 /nfs/dbraw/zinc/14/22/16/709142216.db2.gz FPOBGNQNVDVAKI-ZACQAIPSSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033959569 709142218 /nfs/dbraw/zinc/14/22/18/709142218.db2.gz FPOBGNQNVDVAKI-ZACQAIPSSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001034245442 709635971 /nfs/dbraw/zinc/63/59/71/709635971.db2.gz PNSUQYUDTOXITL-LBPRGKRZSA-N 1 2 334.811 1.690 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnc3n[nH]nc3c2)C1 ZINC001034245442 709635972 /nfs/dbraw/zinc/63/59/72/709635972.db2.gz PNSUQYUDTOXITL-LBPRGKRZSA-N 1 2 334.811 1.690 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cn(C)nn2)C1 ZINC001034437577 710011991 /nfs/dbraw/zinc/01/19/91/710011991.db2.gz ARAIFTPBQQGMTG-XIRDDKMYSA-N 1 2 347.463 1.267 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cn(C)nn2)C1 ZINC001034437577 710011994 /nfs/dbraw/zinc/01/19/94/710011994.db2.gz ARAIFTPBQQGMTG-XIRDDKMYSA-N 1 2 347.463 1.267 20 30 EDEDLO CC#CC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001034481575 710095833 /nfs/dbraw/zinc/09/58/33/710095833.db2.gz URYLEXFRXHKQLN-HOTGVXAUSA-N 1 2 340.489 1.195 20 30 EDEDLO CC#CC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001034481575 710095837 /nfs/dbraw/zinc/09/58/37/710095837.db2.gz URYLEXFRXHKQLN-HOTGVXAUSA-N 1 2 340.489 1.195 20 30 EDEDLO Cc1nsc(N(C)[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1C#N ZINC001061272293 710391985 /nfs/dbraw/zinc/39/19/85/710391985.db2.gz XHFYZDHPCGJKPE-CYBMUJFWSA-N 1 2 344.444 1.716 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nc(CC)no2)CC1 ZINC001003656344 710474153 /nfs/dbraw/zinc/47/41/53/710474153.db2.gz ZGXPRTLTYUOOQP-CFVMTHIKSA-N 1 2 348.447 1.865 20 30 EDEDLO C#CC[NH+]1CCC(N(C)C(=O)c2c(C)n[nH]c2C(F)(F)F)CC1 ZINC001005721668 711156480 /nfs/dbraw/zinc/15/64/80/711156480.db2.gz JIMJWMGPXYMGFN-UHFFFAOYSA-N 1 2 328.338 1.907 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC001004595117 712034923 /nfs/dbraw/zinc/03/49/23/712034923.db2.gz FPLKPKQABFAMEX-YOEHRIQHSA-N 1 2 342.447 1.136 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)CC1 ZINC001004595117 712034927 /nfs/dbraw/zinc/03/49/27/712034927.db2.gz FPLKPKQABFAMEX-YOEHRIQHSA-N 1 2 342.447 1.136 20 30 EDEDLO CCn1nc(C)c(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004627214 712084752 /nfs/dbraw/zinc/08/47/52/712084752.db2.gz WZISGXYYMWSYLK-HNNXBMFYSA-N 1 2 330.436 1.447 20 30 EDEDLO CCn1nc(C)c(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004627214 712084755 /nfs/dbraw/zinc/08/47/55/712084755.db2.gz WZISGXYYMWSYLK-HNNXBMFYSA-N 1 2 330.436 1.447 20 30 EDEDLO Cc1csc(=O)n1CC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554237 219136110 /nfs/dbraw/zinc/13/61/10/219136110.db2.gz QYZHQBYZKCSLQE-UHFFFAOYSA-N 1 2 328.441 1.912 20 30 EDEDLO Cn1c2nnc(C[NH2+][C@H]3CCC[C@H]3C#N)n2c2ccsc2c1=O ZINC000329585285 539446186 /nfs/dbraw/zinc/44/61/86/539446186.db2.gz MEFAQLSGHSOVII-UWVGGRQHSA-N 1 2 328.401 1.425 20 30 EDEDLO C[C@H](NC(=O)N1CCC2(CNC(=O)C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000329785050 539464381 /nfs/dbraw/zinc/46/43/81/539464381.db2.gz WPKFXBYVUMBXFB-KBPBESRZSA-N 1 2 338.452 1.452 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000067315387 215132950 /nfs/dbraw/zinc/13/29/50/215132950.db2.gz RZOPXANUOBWWHY-UHFFFAOYSA-N 1 2 328.372 1.593 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000067426224 215143936 /nfs/dbraw/zinc/14/39/36/215143936.db2.gz QPVFVVZMFBBNTC-UHFFFAOYSA-N 1 2 345.362 1.999 20 30 EDEDLO Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)s1 ZINC000332915601 539611708 /nfs/dbraw/zinc/61/17/08/539611708.db2.gz WOZXQWBMDBBSEC-HIFRSBDPSA-N 1 2 333.461 1.971 20 30 EDEDLO Cc1ccc([C@H](CNC(=O)NCC2(O)CCC2)[NH+]2CCOCC2)cc1 ZINC000329428071 539638427 /nfs/dbraw/zinc/63/84/27/539638427.db2.gz JPGHVRSVWLBKQJ-KRWDZBQOSA-N 1 2 347.459 1.787 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000090202446 138278128 /nfs/dbraw/zinc/27/81/28/138278128.db2.gz ZDPDNFYKGVOFDE-SJORKVTESA-N 1 2 349.456 1.231 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000090202446 138278129 /nfs/dbraw/zinc/27/81/29/138278129.db2.gz ZDPDNFYKGVOFDE-SJORKVTESA-N 1 2 349.456 1.231 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1c(F)cccc1Br ZINC000092894920 237016313 /nfs/dbraw/zinc/01/63/13/237016313.db2.gz SVNPJQRAIRHCRD-UHFFFAOYSA-N 1 2 346.200 1.709 20 30 EDEDLO N#CCN1CC[NH+](Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000092936353 237017899 /nfs/dbraw/zinc/01/78/99/237017899.db2.gz LQHBXVMOLVYEJX-UHFFFAOYSA-N 1 2 342.443 1.233 20 30 EDEDLO Cn1cc(N2CC[C@H](O[NH+]=C(N)Cc3ccc(Cl)cc3)C2=O)cn1 ZINC000111178535 237109499 /nfs/dbraw/zinc/10/94/99/237109499.db2.gz AAEHKDSTLXXFOT-AWEZNQCLSA-N 1 2 347.806 1.710 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c1C#N ZINC000174739449 237289495 /nfs/dbraw/zinc/28/94/95/237289495.db2.gz AZFCEZGNCPVSFK-UHFFFAOYSA-N 1 2 337.383 1.819 20 30 EDEDLO N#CCCN(CCOc1ccccc1C#N)CC[NH+]1CCOCC1 ZINC000174831240 237292688 /nfs/dbraw/zinc/29/26/88/237292688.db2.gz CWZWPNTXAAVLRK-UHFFFAOYSA-N 1 2 328.416 1.485 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081048945 217354665 /nfs/dbraw/zinc/35/46/65/217354665.db2.gz HKKPCXHQFIFNPO-IINYFYTJSA-N 1 2 327.306 1.884 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081048945 217354668 /nfs/dbraw/zinc/35/46/68/217354668.db2.gz HKKPCXHQFIFNPO-IINYFYTJSA-N 1 2 327.306 1.884 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NCC[NH2+]CC)cc2[nH]c1=S ZINC000236998604 249301951 /nfs/dbraw/zinc/30/19/51/249301951.db2.gz BSWFTDHZZNMPEE-UHFFFAOYSA-N 1 2 332.429 1.211 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339156388 249991687 /nfs/dbraw/zinc/99/16/87/249991687.db2.gz FTUZIRFTLUVBCV-GJZGRUSLSA-N 1 2 330.494 1.556 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339156388 249991690 /nfs/dbraw/zinc/99/16/90/249991690.db2.gz FTUZIRFTLUVBCV-GJZGRUSLSA-N 1 2 330.494 1.556 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000347039947 250052571 /nfs/dbraw/zinc/05/25/71/250052571.db2.gz LYGZIWAXPLQVIF-ZDUSSCGKSA-N 1 2 344.440 1.590 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000355651069 250118862 /nfs/dbraw/zinc/11/88/62/250118862.db2.gz BFYSCKCLKQJPRH-AWEZNQCLSA-N 1 2 334.464 1.953 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000355659843 250118996 /nfs/dbraw/zinc/11/89/96/250118996.db2.gz NTQPHCJHFIKYRK-CYBMUJFWSA-N 1 2 338.477 1.270 20 30 EDEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000356444594 250125249 /nfs/dbraw/zinc/12/52/49/250125249.db2.gz BOUZLBYTSVXPJF-QGZVFWFLSA-N 1 2 327.428 1.929 20 30 EDEDLO C=C[C@H](C)NC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000362370490 250181426 /nfs/dbraw/zinc/18/14/26/250181426.db2.gz LLSRLKNKLQQOQQ-HNNXBMFYSA-N 1 2 336.480 1.585 20 30 EDEDLO N#CCC1(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000373856861 250247023 /nfs/dbraw/zinc/24/70/23/250247023.db2.gz XQGUBOVDTIHBRM-UHFFFAOYSA-N 1 2 332.408 1.031 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCOc2cc(OC)ccc2C1 ZINC000374779985 250272270 /nfs/dbraw/zinc/27/22/70/250272270.db2.gz RDWXHRKYWBKLCW-GFCCVEGCSA-N 1 2 333.388 1.290 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000374779985 250272272 /nfs/dbraw/zinc/27/22/72/250272272.db2.gz RDWXHRKYWBKLCW-GFCCVEGCSA-N 1 2 333.388 1.290 20 30 EDEDLO N#CC1(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)CCCCC1 ZINC000374155106 250255199 /nfs/dbraw/zinc/25/51/99/250255199.db2.gz ACNMKNYRPAYNRI-HNNXBMFYSA-N 1 2 332.448 1.273 20 30 EDEDLO C#CCCOc1ccc(C[N@@H+]2CCN3C(=O)N(C)C(=O)[C@@H]3C2)cc1 ZINC000376160814 250284593 /nfs/dbraw/zinc/28/45/93/250284593.db2.gz FBTZWOUEVRAXBA-INIZCTEOSA-N 1 2 327.384 1.167 20 30 EDEDLO C#CCCOc1ccc(C[N@H+]2CCN3C(=O)N(C)C(=O)[C@@H]3C2)cc1 ZINC000376160814 250284594 /nfs/dbraw/zinc/28/45/94/250284594.db2.gz FBTZWOUEVRAXBA-INIZCTEOSA-N 1 2 327.384 1.167 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000374454000 250264930 /nfs/dbraw/zinc/26/49/30/250264930.db2.gz TWULQKRPWGXZFP-ZDUSSCGKSA-N 1 2 325.438 1.246 20 30 EDEDLO Cc1nnnn1-c1ccc(F)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000459471176 254978427 /nfs/dbraw/zinc/97/84/27/254978427.db2.gz VMRZLOPKFOLCGY-SMDDNHRTSA-N 1 2 343.366 1.330 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc3c(c2)C(=O)CCCC3)CC1 ZINC000491543638 255130647 /nfs/dbraw/zinc/13/06/47/255130647.db2.gz HYGMZSLOXIELGW-UHFFFAOYSA-N 1 2 339.439 1.785 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000491726575 255145451 /nfs/dbraw/zinc/14/54/51/255145451.db2.gz KCGTYFYRNBPSJP-GVDBMIGSSA-N 1 2 333.476 1.342 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000491726575 255145452 /nfs/dbraw/zinc/14/54/52/255145452.db2.gz KCGTYFYRNBPSJP-GVDBMIGSSA-N 1 2 333.476 1.342 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C)CC1 ZINC000491775648 255146856 /nfs/dbraw/zinc/14/68/56/255146856.db2.gz VITXHAMNSYMVIU-UHFFFAOYSA-N 1 2 347.426 1.423 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC3(COC(=O)N3)CC2)c(C#N)c1C ZINC000495296210 255279026 /nfs/dbraw/zinc/27/90/26/255279026.db2.gz CJBJMXXCMYZLBM-UHFFFAOYSA-N 1 2 332.360 1.281 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[NH+](CCNC(=O)NCCCC#N)CC1 ZINC000495027681 255265932 /nfs/dbraw/zinc/26/59/32/255265932.db2.gz CQJQCZHHAFVJSQ-UHFFFAOYSA-N 1 2 339.440 1.142 20 30 EDEDLO N#Cc1ncn(CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)n1 ZINC000495086479 255268107 /nfs/dbraw/zinc/26/81/07/255268107.db2.gz QOZSYISFFKFNOH-UHFFFAOYSA-N 1 2 337.343 1.064 20 30 EDEDLO C=C(C)CNC(=S)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496033880 255344481 /nfs/dbraw/zinc/34/44/81/255344481.db2.gz CEFRAHZCRLONIG-CYBMUJFWSA-N 1 2 342.509 1.578 20 30 EDEDLO C=C(C)CNC(=S)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496033880 255344482 /nfs/dbraw/zinc/34/44/82/255344482.db2.gz CEFRAHZCRLONIG-CYBMUJFWSA-N 1 2 342.509 1.578 20 30 EDEDLO CS(=O)(=O)N1CCC[C@H](C[N@H+](CCC#N)Cc2ccco2)C1 ZINC000085851470 533389864 /nfs/dbraw/zinc/38/98/64/533389864.db2.gz IBRFKJFMUKOILK-CQSZACIVSA-N 1 2 325.434 1.667 20 30 EDEDLO CS(=O)(=O)N1CCC[C@H](C[N@@H+](CCC#N)Cc2ccco2)C1 ZINC000085851470 533389867 /nfs/dbraw/zinc/38/98/67/533389867.db2.gz IBRFKJFMUKOILK-CQSZACIVSA-N 1 2 325.434 1.667 20 30 EDEDLO COc1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1OCCCC#N ZINC000155193993 533540585 /nfs/dbraw/zinc/54/05/85/533540585.db2.gz YETRUFNOEXMSNK-UHFFFAOYSA-N 1 2 340.445 1.854 20 30 EDEDLO COc1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1OCCCC#N ZINC000155193993 533540590 /nfs/dbraw/zinc/54/05/90/533540590.db2.gz YETRUFNOEXMSNK-UHFFFAOYSA-N 1 2 340.445 1.854 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000332610280 141214304 /nfs/dbraw/zinc/21/43/04/141214304.db2.gz OWQMWIRHWQUFLS-LBPRGKRZSA-N 1 2 346.431 1.045 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000332610280 141214305 /nfs/dbraw/zinc/21/43/05/141214305.db2.gz OWQMWIRHWQUFLS-LBPRGKRZSA-N 1 2 346.431 1.045 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000339728834 142135848 /nfs/dbraw/zinc/13/58/48/142135848.db2.gz DEQRQZVOLKSRFQ-GOSISDBHSA-N 1 2 345.443 1.752 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000346610875 143222015 /nfs/dbraw/zinc/22/20/15/143222015.db2.gz DWHSCZIXAQGAGK-IUODEOHRSA-N 1 2 336.413 1.215 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1C ZINC000346610875 143222016 /nfs/dbraw/zinc/22/20/16/143222016.db2.gz DWHSCZIXAQGAGK-IUODEOHRSA-N 1 2 336.413 1.215 20 30 EDEDLO Cn1c[nH+]c2c1CCN(S(=O)(=O)c1cc(C#N)ccc1Cl)C2 ZINC000369976156 155261902 /nfs/dbraw/zinc/26/19/02/155261902.db2.gz VCTQZCDSTYOKAB-UHFFFAOYSA-N 1 2 336.804 1.692 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)[C@H](C)Oc1ccccc1C#N)[NH+]1CCOCC1 ZINC000355113322 150123369 /nfs/dbraw/zinc/12/33/69/150123369.db2.gz OBKYIGILDXCSGL-ZNMIVQPWSA-N 1 2 331.416 1.551 20 30 EDEDLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355122752 150125994 /nfs/dbraw/zinc/12/59/94/150125994.db2.gz ILIAIORVUWMSPC-NVXWUHKLSA-N 1 2 341.459 1.770 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000363925514 153098303 /nfs/dbraw/zinc/09/83/03/153098303.db2.gz PZRRSVDRJYCXOT-CLCXKQKWSA-N 1 2 343.427 1.443 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000363925514 153098306 /nfs/dbraw/zinc/09/83/06/153098306.db2.gz PZRRSVDRJYCXOT-CLCXKQKWSA-N 1 2 343.427 1.443 20 30 EDEDLO N#Cc1ccc(CSCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000363942156 153102907 /nfs/dbraw/zinc/10/29/07/153102907.db2.gz SXCHFWGZOQZZEQ-KRWDZBQOSA-N 1 2 345.468 1.725 20 30 EDEDLO CC(C)N1C(=O)N[C@@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)C1=O ZINC000364032503 153127631 /nfs/dbraw/zinc/12/76/31/153127631.db2.gz IWRRUVCLUWZWCA-QGZVFWFLSA-N 1 2 330.363 1.602 20 30 EDEDLO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](Cc3ccc(F)cc3C#N)C2)C1=O ZINC000364032503 153127633 /nfs/dbraw/zinc/12/76/33/153127633.db2.gz IWRRUVCLUWZWCA-QGZVFWFLSA-N 1 2 330.363 1.602 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000367073845 154000769 /nfs/dbraw/zinc/00/07/69/154000769.db2.gz VJIUSWNPRHKRLN-WMLDXEAASA-N 1 2 336.395 1.894 20 30 EDEDLO COC(=O)[C@@H]1CCCCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000371583299 156017049 /nfs/dbraw/zinc/01/70/49/156017049.db2.gz MJAZBAUVLDGWSN-INIZCTEOSA-N 1 2 329.400 1.592 20 30 EDEDLO COC(=O)[C@@H]1CCCCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000371583299 156017051 /nfs/dbraw/zinc/01/70/51/156017051.db2.gz MJAZBAUVLDGWSN-INIZCTEOSA-N 1 2 329.400 1.592 20 30 EDEDLO N#Cc1ccc(F)c(CN2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1 ZINC000377894906 158022340 /nfs/dbraw/zinc/02/23/40/158022340.db2.gz BWPBXNJKCIVXFY-QGZVFWFLSA-N 1 2 330.407 1.484 20 30 EDEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C[N@@H+]1C1CC1 ZINC000124005787 222362807 /nfs/dbraw/zinc/36/28/07/222362807.db2.gz VPZCFMSWFONAGO-GXSJLCMTSA-N 1 2 341.383 1.740 20 30 EDEDLO C[C@H]1C[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C[N@H+]1C1CC1 ZINC000124005787 222362810 /nfs/dbraw/zinc/36/28/10/222362810.db2.gz VPZCFMSWFONAGO-GXSJLCMTSA-N 1 2 341.383 1.740 20 30 EDEDLO N#Cc1ncn(CC(=O)NCc2[nH+]ccn2CCCc2ccccc2)n1 ZINC000426887459 270012625 /nfs/dbraw/zinc/01/26/25/270012625.db2.gz WJGAMRLPNGUFDI-UHFFFAOYSA-N 1 2 349.398 1.295 20 30 EDEDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000344477798 266110947 /nfs/dbraw/zinc/11/09/47/266110947.db2.gz ASSPYWXFPOEWOY-QGZVFWFLSA-N 1 2 342.443 1.507 20 30 EDEDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000344477798 266110949 /nfs/dbraw/zinc/11/09/49/266110949.db2.gz ASSPYWXFPOEWOY-QGZVFWFLSA-N 1 2 342.443 1.507 20 30 EDEDLO CN(C)c1ccc(CNS(=O)(=O)Cc2cccc(C#N)c2)c[nH+]1 ZINC000298398166 266520539 /nfs/dbraw/zinc/52/05/39/266520539.db2.gz GGJSRLNYRXRQRQ-UHFFFAOYSA-N 1 2 330.413 1.639 20 30 EDEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2sccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000294110641 267019961 /nfs/dbraw/zinc/01/99/61/267019961.db2.gz OJOHVWFKVGXKBT-DGCLKSJQSA-N 1 2 343.412 1.864 20 30 EDEDLO C[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000293058345 267040918 /nfs/dbraw/zinc/04/09/18/267040918.db2.gz ALSUJSFKWJEKKE-KDOFPFPSSA-N 1 2 342.443 1.417 20 30 EDEDLO CCn1ccnc(N2CCC(Nc3cc(C)[nH+]cc3C#N)CC2)c1=O ZINC000425252057 267255786 /nfs/dbraw/zinc/25/57/86/267255786.db2.gz GLESEDVQBHUVCS-UHFFFAOYSA-N 1 2 338.415 1.341 20 30 EDEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000492841136 267256400 /nfs/dbraw/zinc/25/64/00/267256400.db2.gz QGMXECYGGLRTGT-VOKGJARPSA-N 1 2 337.383 1.863 20 30 EDEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cccc(F)c1C#N ZINC000428221624 267362696 /nfs/dbraw/zinc/36/26/96/267362696.db2.gz UMHCMOHYEXZWTD-UHFFFAOYSA-N 1 2 335.379 1.005 20 30 EDEDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@H]1CNc2c(C#N)cnn2C1 ZINC000517236723 267384567 /nfs/dbraw/zinc/38/45/67/267384567.db2.gz LHFAZBUMCIFOOK-CJNGLKHVSA-N 1 2 339.399 1.643 20 30 EDEDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CNc2c(C#N)cnn2C1 ZINC000517236723 267384569 /nfs/dbraw/zinc/38/45/69/267384569.db2.gz LHFAZBUMCIFOOK-CJNGLKHVSA-N 1 2 339.399 1.643 20 30 EDEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cccnc3C#N)CC2)C1 ZINC000274001920 268095770 /nfs/dbraw/zinc/09/57/70/268095770.db2.gz JUJRFWQOWPDMNU-IYBDPMFKSA-N 1 2 341.459 1.580 20 30 EDEDLO CN(Cc1ccc(C#N)cc1)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274679278 268182459 /nfs/dbraw/zinc/18/24/59/268182459.db2.gz NJFGZEODHUJAIM-UHFFFAOYSA-N 1 2 336.399 1.263 20 30 EDEDLO CN(Cc1ccc(C#N)cc1)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274679278 268182461 /nfs/dbraw/zinc/18/24/61/268182461.db2.gz NJFGZEODHUJAIM-UHFFFAOYSA-N 1 2 336.399 1.263 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000451882312 268241514 /nfs/dbraw/zinc/24/15/14/268241514.db2.gz CBUAEVFPVXGIRJ-BXUZGUMPSA-N 1 2 327.306 1.742 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000451882312 268241515 /nfs/dbraw/zinc/24/15/15/268241515.db2.gz CBUAEVFPVXGIRJ-BXUZGUMPSA-N 1 2 327.306 1.742 20 30 EDEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000430991665 268320892 /nfs/dbraw/zinc/32/08/92/268320892.db2.gz VTZUCZQVRNPZSG-ZDUSSCGKSA-N 1 2 344.371 1.344 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCn2cnc(C#N)n2)c1C ZINC000287721319 288305111 /nfs/dbraw/zinc/30/51/11/288305111.db2.gz CHRRVWVZHDDODT-UHFFFAOYSA-N 1 2 343.391 1.012 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(C#N)c1C ZINC000269642122 294037390 /nfs/dbraw/zinc/03/73/90/294037390.db2.gz SFTQQSKLHPMGBH-KBPBESRZSA-N 1 2 335.429 1.913 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)c(C#N)c1C ZINC000269642122 294037391 /nfs/dbraw/zinc/03/73/91/294037391.db2.gz SFTQQSKLHPMGBH-KBPBESRZSA-N 1 2 335.429 1.913 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000329139528 295378774 /nfs/dbraw/zinc/37/87/74/295378774.db2.gz SMRNAATWJNRUSH-XHSDSOJGSA-N 1 2 348.447 1.495 20 30 EDEDLO N#C[C@H](CCc1ccccc1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456207133 447325099 /nfs/dbraw/zinc/32/50/99/447325099.db2.gz SAZSAEOPBXXHBZ-OKZBNKHCSA-N 1 2 327.428 1.738 20 30 EDEDLO N#C[C@H](CCc1ccccc1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456207133 447325106 /nfs/dbraw/zinc/32/51/06/447325106.db2.gz SAZSAEOPBXXHBZ-OKZBNKHCSA-N 1 2 327.428 1.738 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N[C@H]2CC2(C)C)CCC(=O)N1C1CC1 ZINC000329126878 303031266 /nfs/dbraw/zinc/03/12/66/303031266.db2.gz MUIOPKXQXDTJOF-IVMMDQJWSA-N 1 2 345.447 1.917 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000425871954 447343807 /nfs/dbraw/zinc/34/38/07/447343807.db2.gz YHDJIAZWXVQZFF-CYBMUJFWSA-N 1 2 325.372 1.091 20 30 EDEDLO CN(CC(C)(C)C#N)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000458434065 447366200 /nfs/dbraw/zinc/36/62/00/447366200.db2.gz OFBCNLCKXXKGSK-UHFFFAOYSA-N 1 2 349.479 1.122 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000548623252 306132839 /nfs/dbraw/zinc/13/28/39/306132839.db2.gz LDSNMNRWTMYFQU-JTQLQIEISA-N 1 2 338.339 1.326 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)CCC(C)(C)C#N ZINC000377902136 447387142 /nfs/dbraw/zinc/38/71/42/447387142.db2.gz FHDSXICGJOAGGQ-KBPBESRZSA-N 1 2 329.466 1.051 20 30 EDEDLO Cc1nc(N2CCN(C(=O)NCc3ccc(C#N)s3)CC2)cc[nH+]1 ZINC000422220526 447408741 /nfs/dbraw/zinc/40/87/41/447408741.db2.gz UFBJVBMAPXEJJC-UHFFFAOYSA-N 1 2 342.428 1.750 20 30 EDEDLO COCCOc1cccc(CNC(=O)C[NH+]2CCC(C#N)CC2)c1 ZINC000057874725 441140146 /nfs/dbraw/zinc/14/01/46/441140146.db2.gz QTWNCPGCCCMFMU-UHFFFAOYSA-N 1 2 331.416 1.564 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nccn1CC(F)(F)F ZINC000081158388 441237602 /nfs/dbraw/zinc/23/76/02/441237602.db2.gz NUGOATGPADITHT-UHFFFAOYSA-N 1 2 345.369 1.493 20 30 EDEDLO COc1ccc(C[N@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1O ZINC000080964296 441213708 /nfs/dbraw/zinc/21/37/08/441213708.db2.gz IKWWCUZYUKJYQZ-KRWDZBQOSA-N 1 2 325.368 1.931 20 30 EDEDLO COc1ccc(C[N@@H+](C)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1O ZINC000080964296 441213713 /nfs/dbraw/zinc/21/37/13/441213713.db2.gz IKWWCUZYUKJYQZ-KRWDZBQOSA-N 1 2 325.368 1.931 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2ccccn2)CC1 ZINC000016483906 441226384 /nfs/dbraw/zinc/22/63/84/441226384.db2.gz XHTJFAKHXQMVOG-INIZCTEOSA-N 1 2 341.459 1.935 20 30 EDEDLO CC(C)[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023257954 441292690 /nfs/dbraw/zinc/29/26/90/441292690.db2.gz KUXDFKVYFBPBRP-INIZCTEOSA-N 1 2 328.460 1.837 20 30 EDEDLO CCNC(=O)CO[NH+]=C(N)c1cccc(Cn2nc(C)cc2C)c1 ZINC000063510221 441334896 /nfs/dbraw/zinc/33/48/96/441334896.db2.gz QSSFUXZOWKTCDP-UHFFFAOYSA-N 1 2 329.404 1.321 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccn(-c3ccccc3)n2)CC1 ZINC000063517720 441335054 /nfs/dbraw/zinc/33/50/54/441335054.db2.gz KZBXQVURCKVTNS-UHFFFAOYSA-N 1 2 339.443 1.292 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000026174807 441369062 /nfs/dbraw/zinc/36/90/62/441369062.db2.gz ITYIZZPHQZOUBL-AWEZNQCLSA-N 1 2 325.409 1.601 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000026174807 441369066 /nfs/dbraw/zinc/36/90/66/441369066.db2.gz ITYIZZPHQZOUBL-AWEZNQCLSA-N 1 2 325.409 1.601 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[NH+]1CCOCC1 ZINC000065473503 441441912 /nfs/dbraw/zinc/44/19/12/441441912.db2.gz DIBZDSDSGRQWEM-UHFFFAOYSA-N 1 2 332.404 1.799 20 30 EDEDLO N#Cc1cnc(NC[C@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000450267063 447440647 /nfs/dbraw/zinc/44/06/47/447440647.db2.gz AYUHDFNQVCQMDL-OAHLLOKOSA-N 1 2 349.416 1.481 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000065971573 441497390 /nfs/dbraw/zinc/49/73/90/441497390.db2.gz KERNHRZRJRQGHG-UHFFFAOYSA-N 1 2 344.440 1.202 20 30 EDEDLO CC(C)OCCN1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000074798591 441467807 /nfs/dbraw/zinc/46/78/07/441467807.db2.gz RJVXWOCGEDPDRH-SFHVURJKSA-N 1 2 347.459 1.341 20 30 EDEDLO CC[N@@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)C[C@@H](C)C#N ZINC000066424255 441530920 /nfs/dbraw/zinc/53/09/20/441530920.db2.gz QUNLZEXGISZVDN-HNNXBMFYSA-N 1 2 330.432 1.372 20 30 EDEDLO CC[N@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)C[C@@H](C)C#N ZINC000066424255 441530921 /nfs/dbraw/zinc/53/09/21/441530921.db2.gz QUNLZEXGISZVDN-HNNXBMFYSA-N 1 2 330.432 1.372 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NCC3CCC3)CC2)cc1 ZINC000066472952 441535402 /nfs/dbraw/zinc/53/54/02/441535402.db2.gz PVNPFJZMGFLZMC-UHFFFAOYSA-N 1 2 326.444 1.592 20 30 EDEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)Cc1cccs1 ZINC000032775517 441571038 /nfs/dbraw/zinc/57/10/38/441571038.db2.gz HHLZAJSVIHVXSI-LBPRGKRZSA-N 1 2 325.434 1.597 20 30 EDEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)Cc1cccs1 ZINC000032775517 441571040 /nfs/dbraw/zinc/57/10/40/441571040.db2.gz HHLZAJSVIHVXSI-LBPRGKRZSA-N 1 2 325.434 1.597 20 30 EDEDLO NS(=O)(=O)CC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000089991814 441610737 /nfs/dbraw/zinc/61/07/37/441610737.db2.gz MPTPOENHGTXFLD-UHFFFAOYSA-N 1 2 326.849 1.692 20 30 EDEDLO Cn1nccc1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000121466018 441710647 /nfs/dbraw/zinc/71/06/47/441710647.db2.gz DUFXWYUCIIKFLX-UHFFFAOYSA-N 1 2 336.399 1.580 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3C=CCCC3)CC2)cc1 ZINC000076668631 441672896 /nfs/dbraw/zinc/67/28/96/441672896.db2.gz VLRPPDKRAYLAFA-MRXNPFEDSA-N 1 2 331.441 1.973 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000042505565 441743628 /nfs/dbraw/zinc/74/36/28/441743628.db2.gz AZWLVXRQROGOPS-MRXNPFEDSA-N 1 2 334.464 1.914 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCC(C#N)CC2)nc[nH+]1 ZINC000173431071 441749155 /nfs/dbraw/zinc/74/91/55/441749155.db2.gz SSDOMUIGFUUQSL-CQSZACIVSA-N 1 2 343.435 1.432 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCC(C#N)CC2)[nH+]cn1 ZINC000173431071 441749161 /nfs/dbraw/zinc/74/91/61/441749161.db2.gz SSDOMUIGFUUQSL-CQSZACIVSA-N 1 2 343.435 1.432 20 30 EDEDLO COC(=O)c1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c[nH]1 ZINC000091936812 441755968 /nfs/dbraw/zinc/75/59/68/441755968.db2.gz RQOPKWATANGDJI-LBPRGKRZSA-N 1 2 340.387 1.174 20 30 EDEDLO COC(=O)c1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c[nH]1 ZINC000091936812 441755971 /nfs/dbraw/zinc/75/59/71/441755971.db2.gz RQOPKWATANGDJI-LBPRGKRZSA-N 1 2 340.387 1.174 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+]CC(=O)NCCc2ccccc2)C(N)=O)cc1 ZINC000115598665 441763449 /nfs/dbraw/zinc/76/34/49/441763449.db2.gz SHQZBMNMSPMPBH-GOSISDBHSA-N 1 2 336.395 1.033 20 30 EDEDLO CC[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354481 441728501 /nfs/dbraw/zinc/72/85/01/441728501.db2.gz CRMXFSPJLGKFGU-JKSUJKDBSA-N 1 2 328.460 1.979 20 30 EDEDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354481 441728506 /nfs/dbraw/zinc/72/85/06/441728506.db2.gz CRMXFSPJLGKFGU-JKSUJKDBSA-N 1 2 328.460 1.979 20 30 EDEDLO C=CC[C@H](C)NC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000117040381 441863272 /nfs/dbraw/zinc/86/32/72/441863272.db2.gz XXWYUQNNHTZKOT-AWEZNQCLSA-N 1 2 340.468 1.803 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000119562083 441940010 /nfs/dbraw/zinc/94/00/10/441940010.db2.gz OKYLKSDCQJYTSP-INIZCTEOSA-N 1 2 337.464 1.124 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000119562083 441940013 /nfs/dbraw/zinc/94/00/13/441940013.db2.gz OKYLKSDCQJYTSP-INIZCTEOSA-N 1 2 337.464 1.124 20 30 EDEDLO Cc1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000078640031 441957864 /nfs/dbraw/zinc/95/78/64/441957864.db2.gz VKLGPTYMRNEPQH-UHFFFAOYSA-N 1 2 348.447 1.678 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1ccccc1O ZINC000162497415 442098314 /nfs/dbraw/zinc/09/83/14/442098314.db2.gz KIFXQRBVBRJCQF-UHFFFAOYSA-N 1 2 331.416 1.399 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC(=O)NC1CC1 ZINC000127015981 442162836 /nfs/dbraw/zinc/16/28/36/442162836.db2.gz STFFMMDGZYRUMP-ZDUSSCGKSA-N 1 2 346.406 1.671 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC(=O)NC1CC1 ZINC000127015981 442162839 /nfs/dbraw/zinc/16/28/39/442162839.db2.gz STFFMMDGZYRUMP-ZDUSSCGKSA-N 1 2 346.406 1.671 20 30 EDEDLO CC1(C)NC(=O)N(CCCO[NH+]=C(N)c2ccc(F)c(F)c2)C1=O ZINC000153169090 442265660 /nfs/dbraw/zinc/26/56/60/442265660.db2.gz IHOHXHBBWSGEBK-UHFFFAOYSA-N 1 2 340.330 1.322 20 30 EDEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170837784 442272596 /nfs/dbraw/zinc/27/25/96/442272596.db2.gz FUEBLGUCXCSWBQ-UHFFFAOYSA-N 1 2 330.432 1.810 20 30 EDEDLO CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170837784 442272597 /nfs/dbraw/zinc/27/25/97/442272597.db2.gz FUEBLGUCXCSWBQ-UHFFFAOYSA-N 1 2 330.432 1.810 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178647564 442451856 /nfs/dbraw/zinc/45/18/56/442451856.db2.gz CXWIYJOIHHNYIY-SJLPKXTDSA-N 1 2 342.443 1.078 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CCC ZINC000179521959 442469751 /nfs/dbraw/zinc/46/97/51/442469751.db2.gz JPGSFMNVPXUEFO-IRXDYDNUSA-N 1 2 332.444 1.755 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCNC(=O)[C@@H]1CCC ZINC000179521959 442469756 /nfs/dbraw/zinc/46/97/56/442469756.db2.gz JPGSFMNVPXUEFO-IRXDYDNUSA-N 1 2 332.444 1.755 20 30 EDEDLO Cc1cc(N2CC[NH+](CC#Cc3ccccc3)CC2)n2ncnc2n1 ZINC000191997412 442560121 /nfs/dbraw/zinc/56/01/21/442560121.db2.gz MOIQYVPCHHATSQ-UHFFFAOYSA-N 1 2 332.411 1.606 20 30 EDEDLO CC(C)CN(C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2)C1CC1 ZINC000158155936 442650635 /nfs/dbraw/zinc/65/06/35/442650635.db2.gz ILEYHONZEIQSEN-UHFFFAOYSA-N 1 2 331.416 1.905 20 30 EDEDLO CCCN1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C(C)(C)C1=O ZINC000187865240 442695700 /nfs/dbraw/zinc/69/57/00/442695700.db2.gz UGKFGVVLKWQYAP-MRXNPFEDSA-N 1 2 345.443 1.631 20 30 EDEDLO CCCN1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C(C)(C)C1=O ZINC000187865240 442695703 /nfs/dbraw/zinc/69/57/03/442695703.db2.gz UGKFGVVLKWQYAP-MRXNPFEDSA-N 1 2 345.443 1.631 20 30 EDEDLO CCC[N@H+](CC(=O)NC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192550468 442662034 /nfs/dbraw/zinc/66/20/34/442662034.db2.gz JMKKCZGIRONBJD-MRXNPFEDSA-N 1 2 328.416 1.512 20 30 EDEDLO CCC[N@@H+](CC(=O)NC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192550468 442662035 /nfs/dbraw/zinc/66/20/35/442662035.db2.gz JMKKCZGIRONBJD-MRXNPFEDSA-N 1 2 328.416 1.512 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1O ZINC000188584569 442765857 /nfs/dbraw/zinc/76/58/57/442765857.db2.gz PMKBEZLJSUCKGY-MRXNPFEDSA-N 1 2 329.400 1.591 20 30 EDEDLO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)C1 ZINC000246385405 442777579 /nfs/dbraw/zinc/77/75/79/442777579.db2.gz KDRMTNOYPWAIOY-HUUCEWRRSA-N 1 2 342.447 1.117 20 30 EDEDLO C[C@@H]1CCCN(C(=O)C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)C1 ZINC000246385405 442777581 /nfs/dbraw/zinc/77/75/81/442777581.db2.gz KDRMTNOYPWAIOY-HUUCEWRRSA-N 1 2 342.447 1.117 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000265462928 442782496 /nfs/dbraw/zinc/78/24/96/442782496.db2.gz NPNNIOIDRFSPHX-UHFFFAOYSA-N 1 2 344.459 1.332 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000248771957 442925241 /nfs/dbraw/zinc/92/52/41/442925241.db2.gz AMNQREMBTZIBHZ-LZWOXQAQSA-N 1 2 333.432 1.603 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000248771957 442925243 /nfs/dbraw/zinc/92/52/43/442925243.db2.gz AMNQREMBTZIBHZ-LZWOXQAQSA-N 1 2 333.432 1.603 20 30 EDEDLO N#Cc1ccccc1OCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000194661482 442934382 /nfs/dbraw/zinc/93/43/82/442934382.db2.gz OQSDZNSNNUARQF-UHFFFAOYSA-N 1 2 333.351 1.834 20 30 EDEDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000268311781 442942781 /nfs/dbraw/zinc/94/27/81/442942781.db2.gz QEBJJRQVBIZZPO-GFCCVEGCSA-N 1 2 325.409 1.459 20 30 EDEDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000268311781 442942785 /nfs/dbraw/zinc/94/27/85/442942785.db2.gz QEBJJRQVBIZZPO-GFCCVEGCSA-N 1 2 325.409 1.459 20 30 EDEDLO COc1cc(N2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)ncn1 ZINC000184076589 442989518 /nfs/dbraw/zinc/98/95/18/442989518.db2.gz DBPNIYVDGODHJB-UHFFFAOYSA-N 1 2 348.410 1.932 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000184617363 443049931 /nfs/dbraw/zinc/04/99/31/443049931.db2.gz BBOPVOKPBYAIEL-UHFFFAOYSA-N 1 2 343.387 1.992 20 30 EDEDLO COC(=O)CCc1nc(CO[NH+]=C(N)[C@@H](C)OCC(C)C)no1 ZINC000266172061 443044353 /nfs/dbraw/zinc/04/43/53/443044353.db2.gz CMFFTWJYXNZNKK-SNVBAGLBSA-N 1 2 328.369 1.025 20 30 EDEDLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000266216247 443061627 /nfs/dbraw/zinc/06/16/27/443061627.db2.gz PVVGKHHYSYGFBX-CHWSQXEVSA-N 1 2 337.424 1.265 20 30 EDEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000264142128 443252663 /nfs/dbraw/zinc/25/26/63/443252663.db2.gz OLKUASTYRISAJM-QGZVFWFLSA-N 1 2 329.400 1.412 20 30 EDEDLO C#CCN(CC)C(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000264264773 443256897 /nfs/dbraw/zinc/25/68/97/443256897.db2.gz CPVJFRBQBDKCSB-OAHLLOKOSA-N 1 2 343.427 1.500 20 30 EDEDLO N#C[C@H]1CN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCO1 ZINC000264349339 443261023 /nfs/dbraw/zinc/26/10/23/443261023.db2.gz FETYIUHVYBPBDE-HNNXBMFYSA-N 1 2 329.404 1.506 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000264462440 443301074 /nfs/dbraw/zinc/30/10/74/443301074.db2.gz RVBXUDAFXLCJIJ-LSDHHAIUSA-N 1 2 330.432 1.078 20 30 EDEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCc2c(C)noc2C)c1 ZINC000267017191 443314059 /nfs/dbraw/zinc/31/40/59/443314059.db2.gz PFLOAMLHHLVTOW-UHFFFAOYSA-N 1 2 333.344 1.946 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+](CCO)Cc2cccnc2)C1=O ZINC000269658209 443383127 /nfs/dbraw/zinc/38/31/27/443383127.db2.gz WXWMBZQGTHQVLG-HNNXBMFYSA-N 1 2 342.424 1.615 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+](CCO)Cc2cccnc2)C1=O ZINC000269658209 443383133 /nfs/dbraw/zinc/38/31/33/443383133.db2.gz WXWMBZQGTHQVLG-HNNXBMFYSA-N 1 2 342.424 1.615 20 30 EDEDLO CC1(C#N)CC[NH+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC1 ZINC000272515517 443347582 /nfs/dbraw/zinc/34/75/82/443347582.db2.gz GRGYXEUQGYBKBZ-UHFFFAOYSA-N 1 2 345.399 1.536 20 30 EDEDLO C[C@H]1CCCN(c2cc(NCCCc3[nH]nc(N)c3C#N)[nH+]cn2)C1 ZINC000267267248 443399517 /nfs/dbraw/zinc/39/95/17/443399517.db2.gz YNCJETGMHFTCSJ-LBPRGKRZSA-N 1 2 340.435 1.935 20 30 EDEDLO C[C@H]1CCCN(c2cc(NCCCc3[nH]nc(N)c3C#N)nc[nH+]2)C1 ZINC000267267248 443399521 /nfs/dbraw/zinc/39/95/21/443399521.db2.gz YNCJETGMHFTCSJ-LBPRGKRZSA-N 1 2 340.435 1.935 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2nc(CC)nc3sccc32)CC1 ZINC000270289143 443465966 /nfs/dbraw/zinc/46/59/66/443465966.db2.gz NVRHIRQUHFSSDD-UHFFFAOYSA-N 1 2 343.456 1.125 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279329991 443557947 /nfs/dbraw/zinc/55/79/47/443557947.db2.gz PFGMYPDUIFILGD-OWCLPIDISA-N 1 2 345.443 1.893 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279329991 443557950 /nfs/dbraw/zinc/55/79/50/443557950.db2.gz PFGMYPDUIFILGD-OWCLPIDISA-N 1 2 345.443 1.893 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000279761488 443626173 /nfs/dbraw/zinc/62/61/73/443626173.db2.gz RKNPHPPWVBQGAX-UHFFFAOYSA-N 1 2 329.360 1.108 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000279761488 443626175 /nfs/dbraw/zinc/62/61/75/443626175.db2.gz RKNPHPPWVBQGAX-UHFFFAOYSA-N 1 2 329.360 1.108 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)CCN1C ZINC000279844303 443631347 /nfs/dbraw/zinc/63/13/47/443631347.db2.gz ARXKZCZSEJORLR-INIZCTEOSA-N 1 2 338.415 1.219 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](CCOCC(F)(F)C(F)F)CC2)c1 ZINC000276328098 443688609 /nfs/dbraw/zinc/68/86/09/443688609.db2.gz GHFVRURFPSWCGC-UHFFFAOYSA-N 1 2 346.328 1.992 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000286332367 443692754 /nfs/dbraw/zinc/69/27/54/443692754.db2.gz AMPUDHRDIDCHHH-OAHLLOKOSA-N 1 2 333.432 1.771 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000280191208 443675170 /nfs/dbraw/zinc/67/51/70/443675170.db2.gz ZXLZXWLNDJJTKG-WBVHZDCISA-N 1 2 333.457 1.304 20 30 EDEDLO CC(C)Oc1ccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1C#N ZINC000286276874 443682179 /nfs/dbraw/zinc/68/21/79/443682179.db2.gz LTJZZZHUTFPORJ-AWEZNQCLSA-N 1 2 339.355 1.736 20 30 EDEDLO N#Cc1cc(C[NH+]2CCN(c3cncc4ncnn43)CC2)ccc1F ZINC000276422093 443701083 /nfs/dbraw/zinc/70/10/83/443701083.db2.gz LKSBQEIKSCRBOL-UHFFFAOYSA-N 1 2 337.362 1.457 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000286438623 443710801 /nfs/dbraw/zinc/71/08/01/443710801.db2.gz HUUYRJOURPSFRX-WMZOPIPTSA-N 1 2 329.444 1.641 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000286927694 443730245 /nfs/dbraw/zinc/73/02/45/443730245.db2.gz ZSEKTMZUEDEINN-ZOBUZTSGSA-N 1 2 335.427 1.731 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000286927694 443730247 /nfs/dbraw/zinc/73/02/47/443730247.db2.gz ZSEKTMZUEDEINN-ZOBUZTSGSA-N 1 2 335.427 1.731 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286996491 443731879 /nfs/dbraw/zinc/73/18/79/443731879.db2.gz MOTWIKOGWGJKPL-HIFRSBDPSA-N 1 2 344.415 1.894 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000292240448 443784416 /nfs/dbraw/zinc/78/44/16/443784416.db2.gz CDHMTACWVNNSBG-ILXRZTDVSA-N 1 2 346.431 1.561 20 30 EDEDLO COC[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000284768068 443787936 /nfs/dbraw/zinc/78/79/36/443787936.db2.gz XDASYBLYUPUHLU-KBPBESRZSA-N 1 2 337.807 1.886 20 30 EDEDLO COC[C@@H]1C[C@H](OC)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000284768068 443787940 /nfs/dbraw/zinc/78/79/40/443787940.db2.gz XDASYBLYUPUHLU-KBPBESRZSA-N 1 2 337.807 1.886 20 30 EDEDLO COc1ccc(CN(C(=O)CO[NH+]=C(N)[C@H]2CCCO2)C2CC2)cc1 ZINC000284022554 443760962 /nfs/dbraw/zinc/76/09/62/443760962.db2.gz ICOAHRAWWSDCEV-MRXNPFEDSA-N 1 2 347.415 1.654 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H](O[NH+]=C(N)[C@H]3CCCO3)C2=O)cc1 ZINC000284477605 443776816 /nfs/dbraw/zinc/77/68/16/443776816.db2.gz RRGQUFFBSNWXKW-CABCVRRESA-N 1 2 328.372 1.521 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)COc2ccccc2C#N)CCN1C ZINC000276794155 443829391 /nfs/dbraw/zinc/82/93/91/443829391.db2.gz VSDOAXMADSUGTP-OAHLLOKOSA-N 1 2 339.399 1.186 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(C(N)=S)cc1 ZINC000281146235 443832106 /nfs/dbraw/zinc/83/21/06/443832106.db2.gz HDESRMOCIJQQBS-UHFFFAOYSA-N 1 2 346.456 1.009 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1=O ZINC000281197648 443844742 /nfs/dbraw/zinc/84/47/42/443844742.db2.gz CFETVJCVVCOXHM-AAEUAGOBSA-N 1 2 336.823 1.781 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cn2)C1=O ZINC000281197648 443844745 /nfs/dbraw/zinc/84/47/45/443844745.db2.gz CFETVJCVVCOXHM-AAEUAGOBSA-N 1 2 336.823 1.781 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C(=O)NC2CC2)c2ccccc2)C1=O ZINC000281282843 443867702 /nfs/dbraw/zinc/86/77/02/443867702.db2.gz IVOJPKHJTWCTCN-IAGOWNOFSA-N 1 2 327.428 1.725 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C(=O)NC2CC2)c2ccccc2)C1=O ZINC000281282843 443867705 /nfs/dbraw/zinc/86/77/05/443867705.db2.gz IVOJPKHJTWCTCN-IAGOWNOFSA-N 1 2 327.428 1.725 20 30 EDEDLO C=CCCCNC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000288631915 443939658 /nfs/dbraw/zinc/93/96/58/443939658.db2.gz RTOIFSIHHNZXFL-UHFFFAOYSA-N 1 2 345.443 1.292 20 30 EDEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000281561079 443944801 /nfs/dbraw/zinc/94/48/01/443944801.db2.gz WNSMBBTZOTZREK-INIZCTEOSA-N 1 2 345.443 1.928 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)nc1 ZINC000553043329 320935037 /nfs/dbraw/zinc/93/50/37/320935037.db2.gz QGWIWHVNCPJUMR-HNNXBMFYSA-N 1 2 336.399 1.061 20 30 EDEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)OCC ZINC000285561924 444028732 /nfs/dbraw/zinc/02/87/32/444028732.db2.gz ZASCQGAUCFILGQ-HACGYAERSA-N 1 2 334.420 1.227 20 30 EDEDLO COc1ccc(N2CC[NH+](CCNC(=O)C(C)(C)C#N)CC2)cc1 ZINC000299523008 444069801 /nfs/dbraw/zinc/06/98/01/444069801.db2.gz ZUARWSVJXMUURW-UHFFFAOYSA-N 1 2 330.432 1.483 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000299487766 444060842 /nfs/dbraw/zinc/06/08/42/444060842.db2.gz BPTDFAAYDABVJA-UHFFFAOYSA-N 1 2 344.390 1.995 20 30 EDEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000285663697 444064718 /nfs/dbraw/zinc/06/47/18/444064718.db2.gz PXVQZJWVZYHGPK-CQSZACIVSA-N 1 2 325.409 1.553 20 30 EDEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000285663697 444064722 /nfs/dbraw/zinc/06/47/22/444064722.db2.gz PXVQZJWVZYHGPK-CQSZACIVSA-N 1 2 325.409 1.553 20 30 EDEDLO C#C[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000282100896 444086388 /nfs/dbraw/zinc/08/63/88/444086388.db2.gz OCAJBTLTPDAGAU-MRXNPFEDSA-N 1 2 342.443 1.284 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c[nH]c3cccc(F)c32)CC1 ZINC000282126296 444093078 /nfs/dbraw/zinc/09/30/78/444093078.db2.gz ICVZHKOGZYOHNM-UHFFFAOYSA-N 1 2 335.404 1.637 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC(=O)N(C)[C@H](C)C2)c(OC)c1 ZINC000282125295 444093463 /nfs/dbraw/zinc/09/34/63/444093463.db2.gz JSLHHQFLFWADBD-ZBFHGGJFSA-N 1 2 348.443 1.326 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c(OC)c1 ZINC000282125295 444093468 /nfs/dbraw/zinc/09/34/68/444093468.db2.gz JSLHHQFLFWADBD-ZBFHGGJFSA-N 1 2 348.443 1.326 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000299660841 444109140 /nfs/dbraw/zinc/10/91/40/444109140.db2.gz VRCZPNACKCERGU-UHFFFAOYSA-N 1 2 337.427 1.753 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000294628766 444130751 /nfs/dbraw/zinc/13/07/51/444130751.db2.gz WYJJPOQHYKTNMH-AEFFLSMTSA-N 1 2 330.428 1.523 20 30 EDEDLO C#CCCOc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000294794937 444143467 /nfs/dbraw/zinc/14/34/67/444143467.db2.gz BOGOSJPNLDBYLD-VQIMIIECSA-N 1 2 342.439 1.881 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC=C)CC1 ZINC000282310941 444144980 /nfs/dbraw/zinc/14/49/80/444144980.db2.gz PLVNUHYYXNESNU-UHFFFAOYSA-N 1 2 342.834 1.935 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000285976317 444167621 /nfs/dbraw/zinc/16/76/21/444167621.db2.gz FASSEOYELJBXEG-CQSZACIVSA-N 1 2 330.432 1.210 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000285976317 444167623 /nfs/dbraw/zinc/16/76/23/444167623.db2.gz FASSEOYELJBXEG-CQSZACIVSA-N 1 2 330.432 1.210 20 30 EDEDLO CCc1ccc(C#CC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000294596759 444125095 /nfs/dbraw/zinc/12/50/95/444125095.db2.gz PHOMNHQXJBWIPE-SFHVURJKSA-N 1 2 336.439 1.849 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000297735452 444326222 /nfs/dbraw/zinc/32/62/22/444326222.db2.gz OAFMLFWAGCLXOW-UHFFFAOYSA-N 1 2 332.448 1.853 20 30 EDEDLO CO/N=C/C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000290466235 444284425 /nfs/dbraw/zinc/28/44/25/444284425.db2.gz UKQFCYYVWGWURM-CAOOACKPSA-N 1 2 335.795 1.264 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000337698592 444359703 /nfs/dbraw/zinc/35/97/03/444359703.db2.gz ZZFFFVGSEHUXRM-MRXNPFEDSA-N 1 2 328.416 1.733 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000337698592 444359705 /nfs/dbraw/zinc/35/97/05/444359705.db2.gz ZZFFFVGSEHUXRM-MRXNPFEDSA-N 1 2 328.416 1.733 20 30 EDEDLO CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC(C#N)CC2)c[nH+]1 ZINC000340091282 444360541 /nfs/dbraw/zinc/36/05/41/444360541.db2.gz WVKQOZZQBUYENL-UHFFFAOYSA-N 1 2 343.431 1.306 20 30 EDEDLO COC(C)(C)C[C@H](C)NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000331033072 444366036 /nfs/dbraw/zinc/36/60/36/444366036.db2.gz IYSNQZDYQILUMI-UONOGXRCSA-N 1 2 337.468 1.826 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC000290894115 444335437 /nfs/dbraw/zinc/33/54/37/444335437.db2.gz BVMUXRBVQPWVSB-KBPBESRZSA-N 1 2 330.436 1.444 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)C ZINC000290894115 444335439 /nfs/dbraw/zinc/33/54/39/444335439.db2.gz BVMUXRBVQPWVSB-KBPBESRZSA-N 1 2 330.436 1.444 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000331165900 444426385 /nfs/dbraw/zinc/42/63/85/444426385.db2.gz SNUKILWKFVWQSI-RYUDHWBXSA-N 1 2 338.383 1.503 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000331165900 444426388 /nfs/dbraw/zinc/42/63/88/444426388.db2.gz SNUKILWKFVWQSI-RYUDHWBXSA-N 1 2 338.383 1.503 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)CN1CCCC1=O)CCC2 ZINC000328658145 444418502 /nfs/dbraw/zinc/41/85/02/444418502.db2.gz QNRJXXXLSSDCLV-KGLIPLIRSA-N 1 2 333.436 1.583 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N1CC[C@H](C2CCOCC2)C1)[NH+]1CCOCC1 ZINC000328868132 444381582 /nfs/dbraw/zinc/38/15/82/444381582.db2.gz XGPDPYHUYKSOGS-UXLLHSPISA-N 1 2 339.480 1.758 20 30 EDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000298026788 444390383 /nfs/dbraw/zinc/39/03/83/444390383.db2.gz DXWDNHFBOXAUJQ-ZBFHGGJFSA-N 1 2 345.418 1.373 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000298026788 444390387 /nfs/dbraw/zinc/39/03/87/444390387.db2.gz DXWDNHFBOXAUJQ-ZBFHGGJFSA-N 1 2 345.418 1.373 20 30 EDEDLO C[C@H]1C[C@@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC1=O ZINC000328893776 444390732 /nfs/dbraw/zinc/39/07/32/444390732.db2.gz AKJZLMFWBPWCMV-KBPBESRZSA-N 1 2 334.420 1.809 20 30 EDEDLO CC(C)[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)c1[nH]cc[nH+]1 ZINC000328747979 444447851 /nfs/dbraw/zinc/44/78/51/444447851.db2.gz LVPRYTDBONWGKO-AAEUAGOBSA-N 1 2 328.438 1.182 20 30 EDEDLO N#CCCS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000331317027 444464687 /nfs/dbraw/zinc/46/46/87/444464687.db2.gz JLNXRPOVOMVRSV-LBPRGKRZSA-N 1 2 343.399 1.762 20 30 EDEDLO N#CCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000331317027 444464691 /nfs/dbraw/zinc/46/46/91/444464691.db2.gz JLNXRPOVOMVRSV-LBPRGKRZSA-N 1 2 343.399 1.762 20 30 EDEDLO C=CCN(CCC#N)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000340629171 444464921 /nfs/dbraw/zinc/46/49/21/444464921.db2.gz VIJROBAOLNCPQR-UHFFFAOYSA-N 1 2 337.383 1.954 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(CCS(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000331361057 444468813 /nfs/dbraw/zinc/46/88/13/444468813.db2.gz YONYHDKZDGDSBT-GASCZTMLSA-N 1 2 335.473 1.746 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(CCS(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000331361057 444468816 /nfs/dbraw/zinc/46/88/16/444468816.db2.gz YONYHDKZDGDSBT-GASCZTMLSA-N 1 2 335.473 1.746 20 30 EDEDLO C[N@H+](Cc1cc(C#N)ccc1Br)[C@@]1(CO)CCOC1 ZINC000331198405 444440442 /nfs/dbraw/zinc/44/04/42/444440442.db2.gz ZGHCOOIXBIOKRG-CQSZACIVSA-N 1 2 325.206 1.904 20 30 EDEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@@]1(CO)CCOC1 ZINC000331198405 444440444 /nfs/dbraw/zinc/44/04/44/444440444.db2.gz ZGHCOOIXBIOKRG-CQSZACIVSA-N 1 2 325.206 1.904 20 30 EDEDLO C=CCn1c(C2CCC2)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000337866599 444442191 /nfs/dbraw/zinc/44/21/91/444442191.db2.gz QPEAPHUVUNFLGX-UHFFFAOYSA-N 1 2 344.463 1.132 20 30 EDEDLO Cc1ncc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C2CC2)n1 ZINC000329128359 444479027 /nfs/dbraw/zinc/47/90/27/444479027.db2.gz NIYUZWSXONJBQJ-LSDHHAIUSA-N 1 2 331.420 1.613 20 30 EDEDLO Cc1ncc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c(C2CC2)n1 ZINC000329128359 444479030 /nfs/dbraw/zinc/47/90/30/444479030.db2.gz NIYUZWSXONJBQJ-LSDHHAIUSA-N 1 2 331.420 1.613 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)C1 ZINC000329134644 444480721 /nfs/dbraw/zinc/48/07/21/444480721.db2.gz BTABKLBLUQFBNS-KGLIPLIRSA-N 1 2 341.477 1.365 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)C1 ZINC000329134644 444480724 /nfs/dbraw/zinc/48/07/24/444480724.db2.gz BTABKLBLUQFBNS-KGLIPLIRSA-N 1 2 341.477 1.365 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000581765984 322217603 /nfs/dbraw/zinc/21/76/03/322217603.db2.gz KCVMTUSDKIDACU-CJNGLKHVSA-N 1 2 329.400 1.355 20 30 EDEDLO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000581765984 322217606 /nfs/dbraw/zinc/21/76/06/322217606.db2.gz KCVMTUSDKIDACU-CJNGLKHVSA-N 1 2 329.400 1.355 20 30 EDEDLO CCn1c2ccccc2n(CC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c1=O ZINC000329241180 444510028 /nfs/dbraw/zinc/51/00/28/444510028.db2.gz RNNAKZDZBYPFHL-AWEZNQCLSA-N 1 2 345.447 1.025 20 30 EDEDLO CCn1c2ccccc2n(CC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c1=O ZINC000329241180 444510030 /nfs/dbraw/zinc/51/00/30/444510030.db2.gz RNNAKZDZBYPFHL-AWEZNQCLSA-N 1 2 345.447 1.025 20 30 EDEDLO Cc1noc([C@@H]2CCCN2C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)n1 ZINC000329247976 444512081 /nfs/dbraw/zinc/51/20/81/444512081.db2.gz WMCJCMQNYOWDEQ-DYEKYZERSA-N 1 2 337.424 1.538 20 30 EDEDLO Cc1nc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)sc1C ZINC000329254280 444514008 /nfs/dbraw/zinc/51/40/08/444514008.db2.gz ZSYUXHALLDTJHD-SMDDNHRTSA-N 1 2 338.477 1.969 20 30 EDEDLO COC(=O)[C@@](C)(O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000343741771 444558415 /nfs/dbraw/zinc/55/84/15/444558415.db2.gz HWARZLMQZQGXKO-INIZCTEOSA-N 1 2 337.807 1.258 20 30 EDEDLO Cn1ccnc(NC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1=O ZINC000329421095 444573018 /nfs/dbraw/zinc/57/30/18/444573018.db2.gz HLHBXVUQFMCVJW-LLVKDONJSA-N 1 2 344.419 1.615 20 30 EDEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(=O)N(C)C3)n2)C1 ZINC000329326855 444536446 /nfs/dbraw/zinc/53/64/46/444536446.db2.gz WYFOBQYESUXERX-LLVKDONJSA-N 1 2 337.449 1.652 20 30 EDEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(=O)N(C)C3)n2)C1 ZINC000329326855 444536449 /nfs/dbraw/zinc/53/64/49/444536449.db2.gz WYFOBQYESUXERX-LLVKDONJSA-N 1 2 337.449 1.652 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000329330602 444537255 /nfs/dbraw/zinc/53/72/55/444537255.db2.gz VTLGHFMGSBHHQF-OAHLLOKOSA-N 1 2 344.459 1.754 20 30 EDEDLO COC[C@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000343718969 444543628 /nfs/dbraw/zinc/54/36/28/444543628.db2.gz RVUQFHZHOPZYTD-MRXNPFEDSA-N 1 2 331.416 1.300 20 30 EDEDLO COC[C@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000343718969 444543629 /nfs/dbraw/zinc/54/36/29/444543629.db2.gz RVUQFHZHOPZYTD-MRXNPFEDSA-N 1 2 331.416 1.300 20 30 EDEDLO CCN1CCOC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000329354004 444546802 /nfs/dbraw/zinc/54/68/02/444546802.db2.gz FGXZPCRYWIHNCB-OAHLLOKOSA-N 1 2 334.420 1.095 20 30 EDEDLO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343795414 444595981 /nfs/dbraw/zinc/59/59/81/444595981.db2.gz GNNSUCNSIRAGGM-VNHYZAJKSA-N 1 2 337.445 1.208 20 30 EDEDLO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343795414 444595985 /nfs/dbraw/zinc/59/59/85/444595985.db2.gz GNNSUCNSIRAGGM-VNHYZAJKSA-N 1 2 337.445 1.208 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCOc4ccccc43)C[C@@H]21 ZINC000329541307 444621003 /nfs/dbraw/zinc/62/10/03/444621003.db2.gz DJSHDGQOMWASDW-YQQAZPJKSA-N 1 2 331.416 1.829 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCOc4ccccc43)C[C@@H]21 ZINC000329541307 444621005 /nfs/dbraw/zinc/62/10/05/444621005.db2.gz DJSHDGQOMWASDW-YQQAZPJKSA-N 1 2 331.416 1.829 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCC4(CCCCC4)O3)C[C@@H]21 ZINC000329626157 444654574 /nfs/dbraw/zinc/65/45/74/444654574.db2.gz TVGANVGNYVLLNL-HRCADAONSA-N 1 2 337.464 1.797 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCC4(CCCCC4)O3)C[C@@H]21 ZINC000329626157 444654577 /nfs/dbraw/zinc/65/45/77/444654577.db2.gz TVGANVGNYVLLNL-HRCADAONSA-N 1 2 337.464 1.797 20 30 EDEDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329629764 444656532 /nfs/dbraw/zinc/65/65/32/444656532.db2.gz HRJMAWHRWOAGHG-BFHYXJOUSA-N 1 2 329.404 1.625 20 30 EDEDLO CC(C)O[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C1(C)C ZINC000329636205 444659242 /nfs/dbraw/zinc/65/92/42/444659242.db2.gz UXQLAYCCEHYEKC-QLFBSQMISA-N 1 2 326.485 1.328 20 30 EDEDLO CC(C)O[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C1(C)C ZINC000329636205 444659246 /nfs/dbraw/zinc/65/92/46/444659246.db2.gz UXQLAYCCEHYEKC-QLFBSQMISA-N 1 2 326.485 1.328 20 30 EDEDLO Cn1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(-c2ccccc2)n1 ZINC000329589483 444639976 /nfs/dbraw/zinc/63/99/76/444639976.db2.gz ZJBHGDSHXWJRHR-CVEARBPZSA-N 1 2 341.415 1.647 20 30 EDEDLO Cn1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(-c2ccccc2)n1 ZINC000329589483 444639979 /nfs/dbraw/zinc/63/99/79/444639979.db2.gz ZJBHGDSHXWJRHR-CVEARBPZSA-N 1 2 341.415 1.647 20 30 EDEDLO Cc1nc(C[C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)no1 ZINC000329604540 444645050 /nfs/dbraw/zinc/64/50/50/444645050.db2.gz GYLCXFZKCZXLEX-QWHCGFSZSA-N 1 2 344.419 1.827 20 30 EDEDLO Cc1nc(C[C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)C2)no1 ZINC000329604540 444645052 /nfs/dbraw/zinc/64/50/52/444645052.db2.gz GYLCXFZKCZXLEX-QWHCGFSZSA-N 1 2 344.419 1.827 20 30 EDEDLO COc1cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1NC(C)=O ZINC000329789110 444717410 /nfs/dbraw/zinc/71/74/10/444717410.db2.gz SGRRZGLLFPEUJV-GOEBONIOSA-N 1 2 348.403 1.863 20 30 EDEDLO COc1cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1NC(C)=O ZINC000329789110 444717416 /nfs/dbraw/zinc/71/74/16/444717416.db2.gz SGRRZGLLFPEUJV-GOEBONIOSA-N 1 2 348.403 1.863 20 30 EDEDLO O=C(N[C@@H]1CCCS(=O)(=O)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329800595 444721847 /nfs/dbraw/zinc/72/18/47/444721847.db2.gz YJOBJTDLVCSVGG-GFCCVEGCSA-N 1 2 326.422 1.080 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1nccn(C)c1=O)C2 ZINC000329812939 444726459 /nfs/dbraw/zinc/72/64/59/444726459.db2.gz DGLVBPNOLNHYAR-UHFFFAOYSA-N 1 2 330.392 1.241 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000334053339 444763821 /nfs/dbraw/zinc/76/38/21/444763821.db2.gz JRXPGYCFNDGNNU-JKSUJKDBSA-N 1 2 336.480 1.679 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CCCOC2)cn1 ZINC000329908284 444763952 /nfs/dbraw/zinc/76/39/52/444763952.db2.gz LPVKTCHRVQPSGF-KKUMJFAQSA-N 1 2 339.415 1.015 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CCCOC2)cn1 ZINC000329908284 444763956 /nfs/dbraw/zinc/76/39/56/444763956.db2.gz LPVKTCHRVQPSGF-KKUMJFAQSA-N 1 2 339.415 1.015 20 30 EDEDLO COc1ccc(Cl)c(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000329918422 444767898 /nfs/dbraw/zinc/76/78/98/444767898.db2.gz FWXZTFUKHCSNAI-KGLIPLIRSA-N 1 2 325.796 1.909 20 30 EDEDLO COc1ccc(Cl)c(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000329918422 444767903 /nfs/dbraw/zinc/76/79/03/444767903.db2.gz FWXZTFUKHCSNAI-KGLIPLIRSA-N 1 2 325.796 1.909 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(OC(F)F)c3)C[C@H]21 ZINC000329923616 444771174 /nfs/dbraw/zinc/77/11/74/444771174.db2.gz IQOZXFQPYRUXDH-CHWSQXEVSA-N 1 2 327.331 1.848 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(OC(F)F)c3)C[C@H]21 ZINC000329923616 444771178 /nfs/dbraw/zinc/77/11/78/444771178.db2.gz IQOZXFQPYRUXDH-CHWSQXEVSA-N 1 2 327.331 1.848 20 30 EDEDLO CC(=O)[C@H](NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)C(C)C ZINC000344096352 444778948 /nfs/dbraw/zinc/77/89/48/444778948.db2.gz BFKCHKBOYYTJGY-LJQANCHMSA-N 1 2 345.443 1.736 20 30 EDEDLO CC(=O)[C@H](NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)C(C)C ZINC000344096352 444778951 /nfs/dbraw/zinc/77/89/51/444778951.db2.gz BFKCHKBOYYTJGY-LJQANCHMSA-N 1 2 345.443 1.736 20 30 EDEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1C ZINC000329942376 444779870 /nfs/dbraw/zinc/77/98/70/444779870.db2.gz CUBMWPYXUVROCH-CVEARBPZSA-N 1 2 346.431 1.820 20 30 EDEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1C ZINC000329942376 444779873 /nfs/dbraw/zinc/77/98/73/444779873.db2.gz CUBMWPYXUVROCH-CVEARBPZSA-N 1 2 346.431 1.820 20 30 EDEDLO Cc1cccc(NC(=O)NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1C ZINC000329942376 444779876 /nfs/dbraw/zinc/77/98/76/444779876.db2.gz CUBMWPYXUVROCH-CVEARBPZSA-N 1 2 346.431 1.820 20 30 EDEDLO Cc1cccc(NC(=O)NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1C ZINC000329942376 444779878 /nfs/dbraw/zinc/77/98/78/444779878.db2.gz CUBMWPYXUVROCH-CVEARBPZSA-N 1 2 346.431 1.820 20 30 EDEDLO CC1(C)CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@@]2(CCOC2)O1 ZINC000329945995 444780180 /nfs/dbraw/zinc/78/01/80/444780180.db2.gz GBWWQLXRPJAPND-GOSISDBHSA-N 1 2 348.447 1.903 20 30 EDEDLO CC(=O)N1CCC(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000329973469 444794957 /nfs/dbraw/zinc/79/49/57/444794957.db2.gz YQLANFHQPJKVHV-XJKSGUPXSA-N 1 2 333.436 1.691 20 30 EDEDLO CC(=O)N1CCC([NH+]=C([O-])N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000329973469 444794958 /nfs/dbraw/zinc/79/49/58/444794958.db2.gz YQLANFHQPJKVHV-XJKSGUPXSA-N 1 2 333.436 1.691 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC(F)F)c(F)c3)C[C@H]21 ZINC000329982081 444798354 /nfs/dbraw/zinc/79/83/54/444798354.db2.gz OLZLWHOEEXRXAN-DGCLKSJQSA-N 1 2 345.321 1.987 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC(F)F)c(F)c3)C[C@H]21 ZINC000329982081 444798355 /nfs/dbraw/zinc/79/83/55/444798355.db2.gz OLZLWHOEEXRXAN-DGCLKSJQSA-N 1 2 345.321 1.987 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3nc4ccccc4s3)C[C@H]21 ZINC000329984150 444798965 /nfs/dbraw/zinc/79/89/65/444798965.db2.gz QBSLPSGAYTUVGJ-CHWSQXEVSA-N 1 2 332.429 1.725 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3nc4ccccc4s3)C[C@H]21 ZINC000329984150 444798968 /nfs/dbraw/zinc/79/89/68/444798968.db2.gz QBSLPSGAYTUVGJ-CHWSQXEVSA-N 1 2 332.429 1.725 20 30 EDEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC12CCCC2 ZINC000329995867 444804293 /nfs/dbraw/zinc/80/42/93/444804293.db2.gz NWUIRUOANIRZFE-LSDHHAIUSA-N 1 2 335.448 1.456 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000338639511 444786822 /nfs/dbraw/zinc/78/68/22/444786822.db2.gz DDRWDEOQGGBRSZ-UHFFFAOYSA-N 1 2 334.376 1.028 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cnc(-c4ccccc4)nc3)C[C@H]21 ZINC000329963163 444790037 /nfs/dbraw/zinc/79/00/37/444790037.db2.gz TVPSQFUQVPZEPQ-HZPDHXFCSA-N 1 2 339.399 1.704 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cnc(-c4ccccc4)nc3)C[C@H]21 ZINC000329963163 444790043 /nfs/dbraw/zinc/79/00/43/444790043.db2.gz TVPSQFUQVPZEPQ-HZPDHXFCSA-N 1 2 339.399 1.704 20 30 EDEDLO C[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000336964940 444877883 /nfs/dbraw/zinc/87/78/83/444877883.db2.gz FYXGPAXWDPWZFT-STQMWFEESA-N 1 2 335.371 1.774 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)N(C)C[C@@H](C)C#N)c1C ZINC000336905449 444844655 /nfs/dbraw/zinc/84/46/55/444844655.db2.gz DOUYTMQDPHTOJV-NSHDSACASA-N 1 2 340.449 1.475 20 30 EDEDLO Cn1cc([C@@H]2[C@H](C(=O)NCc3[nH]cc[nH+]3)CC(=O)N2C(C)(C)C)cn1 ZINC000330116149 444850758 /nfs/dbraw/zinc/85/07/58/444850758.db2.gz UZJOVFXJIVZGAT-IUODEOHRSA-N 1 2 344.419 1.988 20 30 EDEDLO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000338805290 444859291 /nfs/dbraw/zinc/85/92/91/444859291.db2.gz MOCLPEYOEVVOAO-HNNXBMFYSA-N 1 2 342.447 1.760 20 30 EDEDLO CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C4CC4)CC3)c2C1 ZINC000330182369 444877054 /nfs/dbraw/zinc/87/70/54/444877054.db2.gz OWVOFGYSRSBRHD-CQSZACIVSA-N 1 2 345.447 1.342 20 30 EDEDLO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1N1CCNC1=O ZINC000330210606 444890438 /nfs/dbraw/zinc/89/04/38/444890438.db2.gz ILOBDWHTKPRQLI-AWEZNQCLSA-N 1 2 347.419 1.386 20 30 EDEDLO Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1N1CCNC1=O ZINC000330210606 444890442 /nfs/dbraw/zinc/89/04/42/444890442.db2.gz ILOBDWHTKPRQLI-AWEZNQCLSA-N 1 2 347.419 1.386 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1=O ZINC000337042006 444913595 /nfs/dbraw/zinc/91/35/95/444913595.db2.gz BVHSZTTYUQTMML-CZUORRHYSA-N 1 2 344.459 1.883 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1=O ZINC000337042006 444913599 /nfs/dbraw/zinc/91/35/99/444913599.db2.gz BVHSZTTYUQTMML-CZUORRHYSA-N 1 2 344.459 1.883 20 30 EDEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC(O)(C(F)F)CC1 ZINC000330289890 444924402 /nfs/dbraw/zinc/92/44/02/444924402.db2.gz FIMXQBVGWFETKK-GFCCVEGCSA-N 1 2 340.374 1.666 20 30 EDEDLO CNC(=O)[C@@H]1CCCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330411319 444970721 /nfs/dbraw/zinc/97/07/21/444970721.db2.gz ANPIKHJVXCIRSY-VIFPVBQESA-N 1 2 333.314 1.070 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)CCS(C)(=O)=O)CCC2 ZINC000330420257 444974237 /nfs/dbraw/zinc/97/42/37/444974237.db2.gz ZDNOPKDGFDXLRX-YPMHNXCESA-N 1 2 342.465 1.396 20 30 EDEDLO COc1ccc(C(=O)N2CC[NH+](CCOCCC#N)CC2)c(OC)c1 ZINC000338922522 444934006 /nfs/dbraw/zinc/93/40/06/444934006.db2.gz YVDYHDFXCFWOFG-UHFFFAOYSA-N 1 2 347.415 1.392 20 30 EDEDLO C=CCSCCNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000342913424 444938327 /nfs/dbraw/zinc/93/83/27/444938327.db2.gz HSIKBJFKLBJNNG-UHFFFAOYSA-N 1 2 344.440 1.524 20 30 EDEDLO COc1cc(OC)cc(-n2nnnc2C[N@H+](C)[C@H]2CC[C@H](C#N)C2)c1 ZINC000339012806 444985343 /nfs/dbraw/zinc/98/53/43/444985343.db2.gz FAHNNOBXYSNELT-STQMWFEESA-N 1 2 342.403 1.804 20 30 EDEDLO COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)c1 ZINC000339012806 444985344 /nfs/dbraw/zinc/98/53/44/444985344.db2.gz FAHNNOBXYSNELT-STQMWFEESA-N 1 2 342.403 1.804 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000337220463 444991424 /nfs/dbraw/zinc/99/14/24/444991424.db2.gz KMVDAOHRNDWFPB-IUODEOHRSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000337220463 444991427 /nfs/dbraw/zinc/99/14/27/444991427.db2.gz KMVDAOHRNDWFPB-IUODEOHRSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)NCc2ccc(C)cc2)C1=O ZINC000337240821 444999171 /nfs/dbraw/zinc/99/91/71/444999171.db2.gz GNJXFCUCESYQET-RDJZCZTQSA-N 1 2 329.444 1.718 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCc2ccc(C)cc2)C1=O ZINC000337240821 444999176 /nfs/dbraw/zinc/99/91/76/444999176.db2.gz GNJXFCUCESYQET-RDJZCZTQSA-N 1 2 329.444 1.718 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000341820072 445016682 /nfs/dbraw/zinc/01/66/82/445016682.db2.gz KNWAHAKDIIDOQF-QZTJIDSGSA-N 1 2 347.459 1.371 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000341820072 445016683 /nfs/dbraw/zinc/01/66/83/445016683.db2.gz KNWAHAKDIIDOQF-QZTJIDSGSA-N 1 2 347.459 1.371 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)NCCOc2ccccc2)CC1 ZINC000341989667 445109970 /nfs/dbraw/zinc/10/99/70/445109970.db2.gz MJFDETRKYMONTQ-UHFFFAOYSA-N 1 2 331.416 1.434 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)NCc2cccc(OC)c2)CC1 ZINC000342018687 445126921 /nfs/dbraw/zinc/12/69/21/445126921.db2.gz ODKANDNBEFBVLV-UHFFFAOYSA-N 1 2 331.416 1.564 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339780214 445170510 /nfs/dbraw/zinc/17/05/10/445170510.db2.gz QGRHYGXHCHPXLC-XOKHGSTOSA-N 1 2 333.407 1.942 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000339780214 445170511 /nfs/dbraw/zinc/17/05/11/445170511.db2.gz QGRHYGXHCHPXLC-XOKHGSTOSA-N 1 2 333.407 1.942 20 30 EDEDLO CC(C)N(C)C(=O)NCC[NH+]1CCN(C(=O)N(C)C(C)C)CC1 ZINC000330791817 445143627 /nfs/dbraw/zinc/14/36/27/445143627.db2.gz CYUZFPNIEWGZQH-UHFFFAOYSA-N 1 2 327.473 1.318 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337598575 445159191 /nfs/dbraw/zinc/15/91/91/445159191.db2.gz CBPLTEPUVXEAIA-KBXCAEBGSA-N 1 2 336.395 1.894 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000346274252 445210250 /nfs/dbraw/zinc/21/02/50/445210250.db2.gz QKKICBKFCLYYNS-CABCVRRESA-N 1 2 326.356 1.953 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000346274252 445210252 /nfs/dbraw/zinc/21/02/52/445210252.db2.gz QKKICBKFCLYYNS-CABCVRRESA-N 1 2 326.356 1.953 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1[C@H](NC(=O)NCCCC#N)CCC(=O)N1C1CC1 ZINC000347819451 445250541 /nfs/dbraw/zinc/25/05/41/445250541.db2.gz POZXOEDGLJVFDJ-CJNGLKHVSA-N 1 2 344.419 1.218 20 30 EDEDLO CCO[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)C(C)C ZINC000348323309 445255754 /nfs/dbraw/zinc/25/57/54/445255754.db2.gz HWKHCJWQTHOREJ-INIZCTEOSA-N 1 2 325.453 1.512 20 30 EDEDLO Cc1onc(CC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c1C#N ZINC000354626023 445319834 /nfs/dbraw/zinc/31/98/34/445319834.db2.gz QJJYDGDXGDVOQO-UHFFFAOYSA-N 1 2 342.374 1.881 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000351693799 445275810 /nfs/dbraw/zinc/27/58/10/445275810.db2.gz PECSKIGAXWIXEZ-GFCCVEGCSA-N 1 2 347.400 1.391 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000348414759 445282660 /nfs/dbraw/zinc/28/26/60/445282660.db2.gz YHHIBEORKOHQDQ-HZPDHXFCSA-N 1 2 333.480 1.901 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000348414759 445282663 /nfs/dbraw/zinc/28/26/63/445282663.db2.gz YHHIBEORKOHQDQ-HZPDHXFCSA-N 1 2 333.480 1.901 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2cscc2C#N)C1 ZINC000348440452 445291902 /nfs/dbraw/zinc/29/19/02/445291902.db2.gz JVWQXZUPDUKTHD-GFCCVEGCSA-N 1 2 342.428 1.338 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCN(C(=O)c2cscc2C#N)C1 ZINC000348440452 445291906 /nfs/dbraw/zinc/29/19/06/445291906.db2.gz JVWQXZUPDUKTHD-GFCCVEGCSA-N 1 2 342.428 1.338 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2cccnc2)nc1 ZINC000343686246 445302685 /nfs/dbraw/zinc/30/26/85/445302685.db2.gz ILAZDWVTISAIAC-INIZCTEOSA-N 1 2 342.424 1.959 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2cccnc2)nc1 ZINC000343686246 445302687 /nfs/dbraw/zinc/30/26/87/445302687.db2.gz ILAZDWVTISAIAC-INIZCTEOSA-N 1 2 342.424 1.959 20 30 EDEDLO C=CCSc1ccccc1C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000362423531 445373879 /nfs/dbraw/zinc/37/38/79/445373879.db2.gz PVOGOSCOTFTQNB-UHFFFAOYSA-N 1 2 333.457 1.516 20 30 EDEDLO C=CCSc1ccccc1C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000362423531 445373883 /nfs/dbraw/zinc/37/38/83/445373883.db2.gz PVOGOSCOTFTQNB-UHFFFAOYSA-N 1 2 333.457 1.516 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000352313551 445519506 /nfs/dbraw/zinc/51/95/06/445519506.db2.gz DSGSMZDQUCTVNY-AWEZNQCLSA-N 1 2 345.447 1.295 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000352408546 445527921 /nfs/dbraw/zinc/52/79/21/445527921.db2.gz VQPVTNORXQUCMX-HUUCEWRRSA-N 1 2 336.461 1.029 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352457714 445531486 /nfs/dbraw/zinc/53/14/86/445531486.db2.gz DXDVLEJMADMXJR-UHFFFAOYSA-N 1 2 334.351 1.671 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000362798206 445554915 /nfs/dbraw/zinc/55/49/15/445554915.db2.gz PFPHWITYRPVJQL-KYJSFNMBSA-N 1 2 345.443 1.904 20 30 EDEDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)CC1(C#N)CCC1 ZINC000357453845 445559866 /nfs/dbraw/zinc/55/98/66/445559866.db2.gz NURYVWCQYLUELJ-UHFFFAOYSA-N 1 2 343.493 1.300 20 30 EDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@H+]1C ZINC000356096568 445618690 /nfs/dbraw/zinc/61/86/90/445618690.db2.gz FHIMKKDISBJVGD-MNOVXSKESA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@@H+]1C ZINC000356096568 445618693 /nfs/dbraw/zinc/61/86/93/445618693.db2.gz FHIMKKDISBJVGD-MNOVXSKESA-N 1 2 327.837 1.925 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000349639233 445630618 /nfs/dbraw/zinc/63/06/18/445630618.db2.gz QWRSPYLLTZZHNR-HNNXBMFYSA-N 1 2 341.477 1.054 20 30 EDEDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000353386306 445591751 /nfs/dbraw/zinc/59/17/51/445591751.db2.gz NKKPQZPOXKQNBB-HNNXBMFYSA-N 1 2 343.493 1.347 20 30 EDEDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000353386306 445591755 /nfs/dbraw/zinc/59/17/55/445591755.db2.gz NKKPQZPOXKQNBB-HNNXBMFYSA-N 1 2 343.493 1.347 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000357961119 445596226 /nfs/dbraw/zinc/59/62/26/445596226.db2.gz MUOPENNBUMAZQT-UHFFFAOYSA-N 1 2 325.409 1.196 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000357961119 445596229 /nfs/dbraw/zinc/59/62/29/445596229.db2.gz MUOPENNBUMAZQT-UHFFFAOYSA-N 1 2 325.409 1.196 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360290771 445679766 /nfs/dbraw/zinc/67/97/66/445679766.db2.gz HIGMYEBHJILMMG-NVXWUHKLSA-N 1 2 328.416 1.465 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360290771 445679770 /nfs/dbraw/zinc/67/97/70/445679770.db2.gz HIGMYEBHJILMMG-NVXWUHKLSA-N 1 2 328.416 1.465 20 30 EDEDLO Cc1noc(C2(C)CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)n1 ZINC000360436952 445708315 /nfs/dbraw/zinc/70/83/15/445708315.db2.gz NYJIGZSHLFVGFQ-QGZVFWFLSA-N 1 2 333.436 1.786 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000349768491 445672105 /nfs/dbraw/zinc/67/21/05/445672105.db2.gz RLETXGMQXQDYFT-UHFFFAOYSA-N 1 2 345.472 1.558 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000349768491 445672108 /nfs/dbraw/zinc/67/21/08/445672108.db2.gz RLETXGMQXQDYFT-UHFFFAOYSA-N 1 2 345.472 1.558 20 30 EDEDLO CN(C[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1)S(C)(=O)=O ZINC000356301291 445725437 /nfs/dbraw/zinc/72/54/37/445725437.db2.gz LJZVDRNMBGWAHK-NSHDSACASA-N 1 2 328.463 1.118 20 30 EDEDLO CN(C[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1)S(C)(=O)=O ZINC000356301291 445725439 /nfs/dbraw/zinc/72/54/39/445725439.db2.gz LJZVDRNMBGWAHK-NSHDSACASA-N 1 2 328.463 1.118 20 30 EDEDLO C=CCC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000360969509 445741675 /nfs/dbraw/zinc/74/16/75/445741675.db2.gz SFBNEENNAMRWAC-ZFWWWQNUSA-N 1 2 329.400 1.498 20 30 EDEDLO C=CCC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000360969509 445741680 /nfs/dbraw/zinc/74/16/80/445741680.db2.gz SFBNEENNAMRWAC-ZFWWWQNUSA-N 1 2 329.400 1.498 20 30 EDEDLO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)nn1-c1cccc(C#N)c1 ZINC000356502351 445826325 /nfs/dbraw/zinc/82/63/25/445826325.db2.gz CRIHXCINWOKOCU-INIZCTEOSA-N 1 2 339.399 1.113 20 30 EDEDLO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)nn1-c1cccc(C#N)c1 ZINC000356502351 445826329 /nfs/dbraw/zinc/82/63/29/445826329.db2.gz CRIHXCINWOKOCU-INIZCTEOSA-N 1 2 339.399 1.113 20 30 EDEDLO CCc1nnc(NC[C@@H]2CCC[N@H+](CC(=O)OC)C2)c(C#N)c1CC ZINC000353895669 445802851 /nfs/dbraw/zinc/80/28/51/445802851.db2.gz LHTIMCJEBLAHAA-ZDUSSCGKSA-N 1 2 345.447 1.770 20 30 EDEDLO CCc1nnc(NC[C@@H]2CCC[N@@H+](CC(=O)OC)C2)c(C#N)c1CC ZINC000353895669 445802856 /nfs/dbraw/zinc/80/28/56/445802856.db2.gz LHTIMCJEBLAHAA-ZDUSSCGKSA-N 1 2 345.447 1.770 20 30 EDEDLO CCOC(C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)OCC ZINC000363833381 445878455 /nfs/dbraw/zinc/87/84/55/445878455.db2.gz LFOOAZDCGNPCMM-ACJLOTCBSA-N 1 2 329.400 1.731 20 30 EDEDLO CCOC(C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)OCC ZINC000363833381 445878458 /nfs/dbraw/zinc/87/84/58/445878458.db2.gz LFOOAZDCGNPCMM-ACJLOTCBSA-N 1 2 329.400 1.731 20 30 EDEDLO CC#CCCNC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000361648105 445863582 /nfs/dbraw/zinc/86/35/82/445863582.db2.gz NTKQFRVAVIVIGB-UHFFFAOYSA-N 1 2 345.443 1.815 20 30 EDEDLO N#CCN1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)CC1 ZINC000364032913 445891484 /nfs/dbraw/zinc/89/14/84/445891484.db2.gz JXTIHYMILOUHOA-QGZVFWFLSA-N 1 2 349.438 1.780 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369066358 445906741 /nfs/dbraw/zinc/90/67/41/445906741.db2.gz RBYNJUXXDYGSLG-CZUORRHYSA-N 1 2 340.427 1.876 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369066358 445906746 /nfs/dbraw/zinc/90/67/46/445906746.db2.gz RBYNJUXXDYGSLG-CZUORRHYSA-N 1 2 340.427 1.876 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000351105105 445992933 /nfs/dbraw/zinc/99/29/33/445992933.db2.gz DUWRJENJJITWBY-UHFFFAOYSA-N 1 2 339.380 1.999 20 30 EDEDLO N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCn2cc[nH+]c2)c1 ZINC000365087061 446015820 /nfs/dbraw/zinc/01/58/20/446015820.db2.gz KDZSWVCKNNVSDK-MRXNPFEDSA-N 1 2 337.383 1.062 20 30 EDEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C(N)=O)no2)cc1 ZINC000365112282 446033700 /nfs/dbraw/zinc/03/37/00/446033700.db2.gz SYWIWVPLIHFKTR-FZMZJTMJSA-N 1 2 341.371 1.796 20 30 EDEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2nc(C(N)=O)no2)cc1 ZINC000365112282 446033706 /nfs/dbraw/zinc/03/37/06/446033706.db2.gz SYWIWVPLIHFKTR-FZMZJTMJSA-N 1 2 341.371 1.796 20 30 EDEDLO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000369319287 446070369 /nfs/dbraw/zinc/07/03/69/446070369.db2.gz MANFEXKWSCYSCE-BMGDILEWSA-N 1 2 334.416 1.344 20 30 EDEDLO COC[C@H](C)OC[C@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000369319287 446070373 /nfs/dbraw/zinc/07/03/73/446070373.db2.gz MANFEXKWSCYSCE-BMGDILEWSA-N 1 2 334.416 1.344 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CC)CC2CCCC2)CC1 ZINC000369334146 446080097 /nfs/dbraw/zinc/08/00/97/446080097.db2.gz CFBIKAVEAMWXAA-GOSISDBHSA-N 1 2 347.503 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC)CC2CCCC2)CC1 ZINC000369334146 446080100 /nfs/dbraw/zinc/08/01/00/446080100.db2.gz CFBIKAVEAMWXAA-GOSISDBHSA-N 1 2 347.503 1.877 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCN3C(=O)N(C)C[C@H]3C2)cc(OC)c1O ZINC000369692886 446148641 /nfs/dbraw/zinc/14/86/41/446148641.db2.gz LBGKWFMANHTQGX-HNNXBMFYSA-N 1 2 331.416 1.681 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCN3C(=O)N(C)C[C@H]3C2)cc(OC)c1O ZINC000369692886 446148645 /nfs/dbraw/zinc/14/86/45/446148645.db2.gz LBGKWFMANHTQGX-HNNXBMFYSA-N 1 2 331.416 1.681 20 30 EDEDLO COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000369802422 446156656 /nfs/dbraw/zinc/15/66/56/446156656.db2.gz CQXQFRRZAMXENY-CVEARBPZSA-N 1 2 329.400 1.437 20 30 EDEDLO COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000369802422 446156660 /nfs/dbraw/zinc/15/66/60/446156660.db2.gz CQXQFRRZAMXENY-CVEARBPZSA-N 1 2 329.400 1.437 20 30 EDEDLO N#Cc1ncn(C2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)n1 ZINC000373408444 446205098 /nfs/dbraw/zinc/20/50/98/446205098.db2.gz XYCONXQARAVYOG-UHFFFAOYSA-N 1 2 328.351 1.564 20 30 EDEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000365441848 446207476 /nfs/dbraw/zinc/20/74/76/446207476.db2.gz IFRKUYZAMZUJBD-JTQLQIEISA-N 1 2 331.800 1.474 20 30 EDEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000365441848 446207480 /nfs/dbraw/zinc/20/74/80/446207480.db2.gz IFRKUYZAMZUJBD-JTQLQIEISA-N 1 2 331.800 1.474 20 30 EDEDLO N#Cc1cccc(C2(NC(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CC2)c1 ZINC000366456395 446222052 /nfs/dbraw/zinc/22/20/52/446222052.db2.gz SWPDXGNXWARXJD-QGZVFWFLSA-N 1 2 340.427 1.710 20 30 EDEDLO N#Cc1cccc(C2(NC(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CC2)c1 ZINC000366456395 446222055 /nfs/dbraw/zinc/22/20/55/446222055.db2.gz SWPDXGNXWARXJD-QGZVFWFLSA-N 1 2 340.427 1.710 20 30 EDEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCNC(=O)[C@@H]2c2cccs2)cc1 ZINC000370556235 446331567 /nfs/dbraw/zinc/33/15/67/446331567.db2.gz GUSPRJGGHDOYON-ZBFHGGJFSA-N 1 2 327.409 1.826 20 30 EDEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCNC(=O)[C@@H]2c2cccs2)cc1 ZINC000370556235 446331569 /nfs/dbraw/zinc/33/15/69/446331569.db2.gz GUSPRJGGHDOYON-ZBFHGGJFSA-N 1 2 327.409 1.826 20 30 EDEDLO O=C1CO[C@@H]2CC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C[C@@H]2N1 ZINC000366785639 446351028 /nfs/dbraw/zinc/35/10/28/446351028.db2.gz HOLHBSDEMJFSHB-LSDHHAIUSA-N 1 2 338.329 1.646 20 30 EDEDLO O=C1CO[C@@H]2CC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C[C@@H]2N1 ZINC000366785639 446351032 /nfs/dbraw/zinc/35/10/32/446351032.db2.gz HOLHBSDEMJFSHB-LSDHHAIUSA-N 1 2 338.329 1.646 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000365821595 446356819 /nfs/dbraw/zinc/35/68/19/446356819.db2.gz BAZVRKWHOCIQKV-UHFFFAOYSA-N 1 2 344.440 1.935 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3cncn3)C2)c(C#N)c1C ZINC000376338036 446438081 /nfs/dbraw/zinc/43/80/81/446438081.db2.gz YVUXGLISYZGKHY-DGCLKSJQSA-N 1 2 328.376 1.634 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](n3cncn3)C2)c(C#N)c1C ZINC000376338036 446438085 /nfs/dbraw/zinc/43/80/85/446438085.db2.gz YVUXGLISYZGKHY-DGCLKSJQSA-N 1 2 328.376 1.634 20 30 EDEDLO C=CCC(C)(C)CNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000432071653 446449611 /nfs/dbraw/zinc/44/96/11/446449611.db2.gz LBSBPKKUUHUSGR-UHFFFAOYSA-N 1 2 346.479 1.500 20 30 EDEDLO C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)CCO1 ZINC000376287450 446414786 /nfs/dbraw/zinc/41/47/86/446414786.db2.gz GOSUOOLTHAEUQT-LBPRGKRZSA-N 1 2 339.417 1.025 20 30 EDEDLO C[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)CCO1 ZINC000376287450 446414789 /nfs/dbraw/zinc/41/47/89/446414789.db2.gz GOSUOOLTHAEUQT-LBPRGKRZSA-N 1 2 339.417 1.025 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccncc1C#N ZINC000376488272 446529645 /nfs/dbraw/zinc/52/96/45/446529645.db2.gz ZIJCVMFWWUJKBZ-HOCLYGCPSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccncc1C#N ZINC000376488272 446529653 /nfs/dbraw/zinc/52/96/53/446529653.db2.gz ZIJCVMFWWUJKBZ-HOCLYGCPSA-N 1 2 328.395 1.736 20 30 EDEDLO CCN1CCN(C(=O)c2cccc(F)c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433110843 446534218 /nfs/dbraw/zinc/53/42/18/446534218.db2.gz QONTZEZMUWXCCI-OAHLLOKOSA-N 1 2 327.363 1.939 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000433151160 446538883 /nfs/dbraw/zinc/53/88/83/446538883.db2.gz HXBZCAPPLDEOEP-XSSDXNQZSA-N 1 2 337.485 1.998 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000433151160 446538890 /nfs/dbraw/zinc/53/88/90/446538890.db2.gz HXBZCAPPLDEOEP-XSSDXNQZSA-N 1 2 337.485 1.998 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000420442229 446618014 /nfs/dbraw/zinc/61/80/14/446618014.db2.gz JJNVPGCNUGZPBZ-LBPRGKRZSA-N 1 2 329.372 1.390 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000371020938 446579783 /nfs/dbraw/zinc/57/97/83/446579783.db2.gz ZYQXGRZLRIQBAQ-UHFFFAOYSA-N 1 2 339.380 1.617 20 30 EDEDLO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368045146 446620583 /nfs/dbraw/zinc/62/05/83/446620583.db2.gz NLOGBHHNEZABIX-SFHVURJKSA-N 1 2 327.428 1.695 20 30 EDEDLO C#CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368045146 446620592 /nfs/dbraw/zinc/62/05/92/446620592.db2.gz NLOGBHHNEZABIX-SFHVURJKSA-N 1 2 327.428 1.695 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)C(=O)Nc1cccc(C#N)c1C)C2 ZINC000371219105 446696276 /nfs/dbraw/zinc/69/62/76/446696276.db2.gz JHSBMEVODKITCB-UHFFFAOYSA-N 1 2 337.383 1.661 20 30 EDEDLO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(C#N)cc1 ZINC000368215820 446714512 /nfs/dbraw/zinc/71/45/12/446714512.db2.gz PPRJTSSJYYXLHZ-SUMWQHHRSA-N 1 2 328.416 1.782 20 30 EDEDLO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(C#N)cc1 ZINC000368215820 446714522 /nfs/dbraw/zinc/71/45/22/446714522.db2.gz PPRJTSSJYYXLHZ-SUMWQHHRSA-N 1 2 328.416 1.782 20 30 EDEDLO C#CCCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000375429093 446792692 /nfs/dbraw/zinc/79/26/92/446792692.db2.gz PGBLSBQRERKFCY-OAHLLOKOSA-N 1 2 335.404 1.981 20 30 EDEDLO C[C@H](O)[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000412097225 446856268 /nfs/dbraw/zinc/85/62/68/446856268.db2.gz SXHKUFAVSIULSD-SUMWQHHRSA-N 1 2 326.400 1.540 20 30 EDEDLO C[C@H](O)[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000412097225 446856275 /nfs/dbraw/zinc/85/62/75/446856275.db2.gz SXHKUFAVSIULSD-SUMWQHHRSA-N 1 2 326.400 1.540 20 30 EDEDLO COCC(COC)[NH+]1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000412436810 446954541 /nfs/dbraw/zinc/95/45/41/446954541.db2.gz PMVIWIOZKDVDRI-UHFFFAOYSA-N 1 2 331.416 1.172 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNc1nc(C)[nH+]c(NC[C@@H]2CCO[C@H]2C=C)n1 ZINC000425263217 447086605 /nfs/dbraw/zinc/08/66/05/447086605.db2.gz KHVPLFCRBNVDBC-VGWMRTNUSA-N 1 2 345.447 1.030 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444806194 447138324 /nfs/dbraw/zinc/13/83/24/447138324.db2.gz UCNDTTDUZBRVEB-GJZGRUSLSA-N 1 2 330.494 1.699 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444806194 447138331 /nfs/dbraw/zinc/13/83/31/447138331.db2.gz UCNDTTDUZBRVEB-GJZGRUSLSA-N 1 2 330.494 1.699 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1F ZINC000455531416 447159710 /nfs/dbraw/zinc/15/97/10/447159710.db2.gz DNELCJQAKHIVGP-OAHLLOKOSA-N 1 2 332.379 1.313 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000368821860 447133955 /nfs/dbraw/zinc/13/39/55/447133955.db2.gz JJVUXLSSDQMCEU-HOTGVXAUSA-N 1 2 334.464 1.471 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000368821860 447133963 /nfs/dbraw/zinc/13/39/63/447133963.db2.gz JJVUXLSSDQMCEU-HOTGVXAUSA-N 1 2 334.464 1.471 20 30 EDEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCCNC1=O ZINC000368895692 447188286 /nfs/dbraw/zinc/18/82/86/447188286.db2.gz ZPYBEUVJNTVAGB-AWEZNQCLSA-N 1 2 334.807 1.751 20 30 EDEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCCNC1=O ZINC000368895692 447188289 /nfs/dbraw/zinc/18/82/89/447188289.db2.gz ZPYBEUVJNTVAGB-AWEZNQCLSA-N 1 2 334.807 1.751 20 30 EDEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000425493243 447191479 /nfs/dbraw/zinc/19/14/79/447191479.db2.gz VAXHTPMFMYMIPB-VHSXEESVSA-N 1 2 336.417 1.531 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000377558391 447204004 /nfs/dbraw/zinc/20/40/04/447204004.db2.gz IKNQTIRJLMEJDQ-CQSZACIVSA-N 1 2 344.806 1.906 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000377558391 447204011 /nfs/dbraw/zinc/20/40/11/447204011.db2.gz IKNQTIRJLMEJDQ-CQSZACIVSA-N 1 2 344.806 1.906 20 30 EDEDLO CC[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414108302 447274137 /nfs/dbraw/zinc/27/41/37/447274137.db2.gz LOCJCRYPMLLQJV-QAPCUYQASA-N 1 2 344.415 1.050 20 30 EDEDLO CC[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414108302 447274142 /nfs/dbraw/zinc/27/41/42/447274142.db2.gz LOCJCRYPMLLQJV-QAPCUYQASA-N 1 2 344.415 1.050 20 30 EDEDLO Cn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nnc1-c1ccc(F)cc1 ZINC000414096996 447274327 /nfs/dbraw/zinc/27/43/27/447274327.db2.gz MOJJTXVTWFMVKM-AWEZNQCLSA-N 1 2 349.435 1.920 20 30 EDEDLO Cn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nnc1-c1ccc(F)cc1 ZINC000414096996 447274331 /nfs/dbraw/zinc/27/43/31/447274331.db2.gz MOJJTXVTWFMVKM-AWEZNQCLSA-N 1 2 349.435 1.920 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000414102298 447274465 /nfs/dbraw/zinc/27/44/65/447274465.db2.gz CMELUNHPNGUEAA-LBPRGKRZSA-N 1 2 346.456 1.543 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000414102298 447274473 /nfs/dbraw/zinc/27/44/73/447274473.db2.gz CMELUNHPNGUEAA-LBPRGKRZSA-N 1 2 346.456 1.543 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)Cn1ccnc1C(=O)c1ccc(F)cc1 ZINC000414131598 447276304 /nfs/dbraw/zinc/27/63/04/447276304.db2.gz ZPEWKKXCSBGPHQ-HNNXBMFYSA-N 1 2 330.363 1.460 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)Cn1ccnc1C(=O)c1ccc(F)cc1 ZINC000414131598 447276307 /nfs/dbraw/zinc/27/63/07/447276307.db2.gz ZPEWKKXCSBGPHQ-HNNXBMFYSA-N 1 2 330.363 1.460 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCn2c[nH+]cc2C1 ZINC000496065577 447702752 /nfs/dbraw/zinc/70/27/52/447702752.db2.gz COPWATMXUIUZJG-CQSZACIVSA-N 1 2 347.419 1.812 20 30 EDEDLO CCOC(=O)CN(C(=O)C[NH2+][C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000459461060 447674226 /nfs/dbraw/zinc/67/42/26/447674226.db2.gz JYZZIPKHFVYFCL-HOCLYGCPSA-N 1 2 329.400 1.865 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451260821 447717309 /nfs/dbraw/zinc/71/73/09/447717309.db2.gz JAIFSTMFIYVQRX-PKOBYXMFSA-N 1 2 332.419 1.987 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451260821 447717314 /nfs/dbraw/zinc/71/73/14/447717314.db2.gz JAIFSTMFIYVQRX-PKOBYXMFSA-N 1 2 332.419 1.987 20 30 EDEDLO CCC(CC)(NC(=O)C1C[NH+](Cc2cccc(F)c2C#N)C1)C(N)=O ZINC000428940319 447720269 /nfs/dbraw/zinc/72/02/69/447720269.db2.gz CMIRXWZRVWOJDX-UHFFFAOYSA-N 1 2 346.406 1.289 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429267171 447737350 /nfs/dbraw/zinc/73/73/50/447737350.db2.gz ZZCDFGSWYUXTQF-UONOGXRCSA-N 1 2 348.422 1.737 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429267171 447737355 /nfs/dbraw/zinc/73/73/55/447737355.db2.gz ZZCDFGSWYUXTQF-UONOGXRCSA-N 1 2 348.422 1.737 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@](C)(CC(=O)OC)c1ccccn1 ZINC000429674608 447755322 /nfs/dbraw/zinc/75/53/22/447755322.db2.gz KTLJIFQKHVFNHA-KSSFIOAISA-N 1 2 346.431 1.458 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488289804 447845119 /nfs/dbraw/zinc/84/51/19/447845119.db2.gz FTSZAKPXXGLPPE-UHFFFAOYSA-N 1 2 330.407 1.727 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488289804 447845120 /nfs/dbraw/zinc/84/51/20/447845120.db2.gz FTSZAKPXXGLPPE-UHFFFAOYSA-N 1 2 330.407 1.727 20 30 EDEDLO C#CCN(CC#CC)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000490680301 447895803 /nfs/dbraw/zinc/89/58/03/447895803.db2.gz ZEMXYQDETGLFTF-LJQANCHMSA-N 1 2 339.439 1.728 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2nc([C@H](C)SCC)no2)CC1 ZINC000491155021 447940079 /nfs/dbraw/zinc/94/00/79/447940079.db2.gz OFZVKIFXCKRWOD-LBPRGKRZSA-N 1 2 336.461 1.845 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2nc([C@H](C)OCC(C)C)no2)CC1 ZINC000491154363 447940309 /nfs/dbraw/zinc/94/03/09/447940309.db2.gz IZKXYCONUOMDLI-AWEZNQCLSA-N 1 2 348.447 1.765 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2nn(C)cc2Br)CC1 ZINC000491362769 448004294 /nfs/dbraw/zinc/00/42/94/448004294.db2.gz VHQKDWOIXZDYDI-UHFFFAOYSA-N 1 2 339.237 1.144 20 30 EDEDLO COCCN(CC#N)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497254292 448008963 /nfs/dbraw/zinc/00/89/63/448008963.db2.gz UZEZPSYQGDQSMB-UHFFFAOYSA-N 1 2 326.441 1.011 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cn2ccnc2[C@@H](O)C2CCCCC2)CC1 ZINC000491430939 448027447 /nfs/dbraw/zinc/02/74/47/448027447.db2.gz ZTIYXMUBKUUIMB-SFHVURJKSA-N 1 2 344.459 1.274 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3)c(CC)cc2=O)CC1 ZINC000491440406 448029499 /nfs/dbraw/zinc/02/94/99/448029499.db2.gz PCWBJVSYHOPCCZ-UHFFFAOYSA-N 1 2 336.439 1.681 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)Nc2cccc(C)c2S(C)(=O)=O)CC1 ZINC000491496404 448045337 /nfs/dbraw/zinc/04/53/37/448045337.db2.gz QGCLGWMBCBOIJD-UHFFFAOYSA-N 1 2 334.441 1.682 20 30 EDEDLO Cn1ccnc1[C@H](NC[C@H](O)C[N@H+](C)CCC#N)c1ccccc1F ZINC000570837375 448073375 /nfs/dbraw/zinc/07/33/75/448073375.db2.gz RMMPBWMRUBDDHV-WMLDXEAASA-N 1 2 345.422 1.445 20 30 EDEDLO Cn1ccnc1[C@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1ccccc1F ZINC000570837375 448073379 /nfs/dbraw/zinc/07/33/79/448073379.db2.gz RMMPBWMRUBDDHV-WMLDXEAASA-N 1 2 345.422 1.445 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000491656459 448074904 /nfs/dbraw/zinc/07/49/04/448074904.db2.gz SPQDQLXQMFVRDW-BDJLRTHQSA-N 1 2 330.344 1.273 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000491656459 448074908 /nfs/dbraw/zinc/07/49/08/448074908.db2.gz SPQDQLXQMFVRDW-BDJLRTHQSA-N 1 2 330.344 1.273 20 30 EDEDLO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000555415545 448075187 /nfs/dbraw/zinc/07/51/87/448075187.db2.gz ZSFUWHFAKUMZGN-RBSFLKMASA-N 1 2 339.395 1.676 20 30 EDEDLO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000555415545 448075193 /nfs/dbraw/zinc/07/51/93/448075193.db2.gz ZSFUWHFAKUMZGN-RBSFLKMASA-N 1 2 339.395 1.676 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000491747108 448102290 /nfs/dbraw/zinc/10/22/90/448102290.db2.gz CHPGWTZGNPMJEF-GJZGRUSLSA-N 1 2 334.489 1.748 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CCC1 ZINC000526300832 448110973 /nfs/dbraw/zinc/11/09/73/448110973.db2.gz PUIUOKPBFQUURN-ZDUSSCGKSA-N 1 2 328.420 1.424 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CCC1 ZINC000526300832 448110977 /nfs/dbraw/zinc/11/09/77/448110977.db2.gz PUIUOKPBFQUURN-ZDUSSCGKSA-N 1 2 328.420 1.424 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1c(OC)cc(OC)cc1OC ZINC000577073133 448205088 /nfs/dbraw/zinc/20/50/88/448205088.db2.gz KEJAANXKULIGJH-GFCCVEGCSA-N 1 2 335.404 1.610 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000492505459 448227940 /nfs/dbraw/zinc/22/79/40/448227940.db2.gz DLGNNFOAHDYYLT-QWHCGFSZSA-N 1 2 336.436 1.536 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000492505459 448227947 /nfs/dbraw/zinc/22/79/47/448227947.db2.gz DLGNNFOAHDYYLT-QWHCGFSZSA-N 1 2 336.436 1.536 20 30 EDEDLO CC(=O)NC1(c2ccc(OC[C@@H](O)C[N@H+](C)CCC#N)cc2)CC1 ZINC000582424651 448234665 /nfs/dbraw/zinc/23/46/65/448234665.db2.gz SLBRYZMNJALKKF-INIZCTEOSA-N 1 2 331.416 1.397 20 30 EDEDLO CC(=O)NC1(c2ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)cc2)CC1 ZINC000582424651 448234672 /nfs/dbraw/zinc/23/46/72/448234672.db2.gz SLBRYZMNJALKKF-INIZCTEOSA-N 1 2 331.416 1.397 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCO[C@H](C#N)C1 ZINC000561307248 448237307 /nfs/dbraw/zinc/23/73/07/448237307.db2.gz OPXDPJCBSYFWMX-IUODEOHRSA-N 1 2 325.372 1.628 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000572045424 448271376 /nfs/dbraw/zinc/27/13/76/448271376.db2.gz UFLIHEMKHXILAM-CQSZACIVSA-N 1 2 342.302 1.770 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C#N)C1 ZINC000492760118 448281933 /nfs/dbraw/zinc/28/19/33/448281933.db2.gz DDUSLEXEHNCKLK-ZFDPJTLLSA-N 1 2 331.376 1.394 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000563220223 448291610 /nfs/dbraw/zinc/29/16/10/448291610.db2.gz HZZHWHYPHHIZAR-KRWDZBQOSA-N 1 2 332.379 1.526 20 30 EDEDLO Cc1nc(Nc2ccn(CC[NH+]3CCOCC3)n2)c(Cl)cc1C#N ZINC000582639658 448295465 /nfs/dbraw/zinc/29/54/65/448295465.db2.gz OSSJKNWTGVINFB-UHFFFAOYSA-N 1 2 346.822 2.187 20 30 EDEDLO COc1ccc(S(=O)(=O)N2CC([NH2+]C[C@@H](C#N)CCC#N)C2)cc1 ZINC000564849834 448342672 /nfs/dbraw/zinc/34/26/72/448342672.db2.gz PZTRFCFJNRCLHO-CYBMUJFWSA-N 1 2 348.428 1.101 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000572470243 448386018 /nfs/dbraw/zinc/38/60/18/448386018.db2.gz QTHZUEOANUTPHA-SQNIBIBYSA-N 1 2 330.428 1.767 20 30 EDEDLO Cc1nc(SCC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(C#N)c(C)c1C ZINC000565777705 448378617 /nfs/dbraw/zinc/37/86/17/448378617.db2.gz MDXFUFHJPHPSNE-KRWDZBQOSA-N 1 2 345.472 1.931 20 30 EDEDLO N#CCC(=O)N1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000584358924 448498464 /nfs/dbraw/zinc/49/84/64/448498464.db2.gz LGKWTBNVILPBRO-UHFFFAOYSA-N 1 2 325.372 1.337 20 30 EDEDLO CC(C)OC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528455649 448536056 /nfs/dbraw/zinc/53/60/56/448536056.db2.gz JQZSCHIEDXRBIC-IRXDYDNUSA-N 1 2 334.416 1.424 20 30 EDEDLO CC(C)OC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528455649 448536061 /nfs/dbraw/zinc/53/60/61/448536061.db2.gz JQZSCHIEDXRBIC-IRXDYDNUSA-N 1 2 334.416 1.424 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000567087054 448611565 /nfs/dbraw/zinc/61/15/65/448611565.db2.gz CLZIYSCOWAMPGU-LJQANCHMSA-N 1 2 346.427 1.429 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@H]21 ZINC000567228741 448642315 /nfs/dbraw/zinc/64/23/15/448642315.db2.gz SVZZGKBNMNYFFX-HUUCEWRRSA-N 1 2 334.807 1.953 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(CC#N)cc3Cl)C[C@H]21 ZINC000567228741 448642321 /nfs/dbraw/zinc/64/23/21/448642321.db2.gz SVZZGKBNMNYFFX-HUUCEWRRSA-N 1 2 334.807 1.953 20 30 EDEDLO N#CCC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000541328843 448672555 /nfs/dbraw/zinc/67/25/55/448672555.db2.gz PGMWQSOXVISRBK-UHFFFAOYSA-N 1 2 337.401 1.994 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000540237813 448633960 /nfs/dbraw/zinc/63/39/60/448633960.db2.gz PNOGAHBJDUKEDE-LSDHHAIUSA-N 1 2 336.457 1.058 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000540237813 448633966 /nfs/dbraw/zinc/63/39/66/448633966.db2.gz PNOGAHBJDUKEDE-LSDHHAIUSA-N 1 2 336.457 1.058 20 30 EDEDLO COC[C@](C)(C#N)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000541723838 448688398 /nfs/dbraw/zinc/68/83/98/448688398.db2.gz GGJCKPHBRSJRNZ-SFHVURJKSA-N 1 2 339.399 2.056 20 30 EDEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)C(C)C)cc1 ZINC000592144870 448705219 /nfs/dbraw/zinc/70/52/19/448705219.db2.gz JVHQNXFYRKTPCJ-RTBURBONSA-N 1 2 345.443 1.859 20 30 EDEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)C(C)C)cc1 ZINC000592144870 448705220 /nfs/dbraw/zinc/70/52/20/448705220.db2.gz JVHQNXFYRKTPCJ-RTBURBONSA-N 1 2 345.443 1.859 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000592145450 448706099 /nfs/dbraw/zinc/70/60/99/448706099.db2.gz VWVQBCLAKLPCKS-SFHVURJKSA-N 1 2 342.399 1.102 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000592145450 448706102 /nfs/dbraw/zinc/70/61/02/448706102.db2.gz VWVQBCLAKLPCKS-SFHVURJKSA-N 1 2 342.399 1.102 20 30 EDEDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150896 448712253 /nfs/dbraw/zinc/71/22/53/448712253.db2.gz JFORUKVJWGGPNF-YVEFUNNKSA-N 1 2 337.370 1.362 20 30 EDEDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150896 448712257 /nfs/dbraw/zinc/71/22/57/448712257.db2.gz JFORUKVJWGGPNF-YVEFUNNKSA-N 1 2 337.370 1.362 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000519053144 448735113 /nfs/dbraw/zinc/73/51/13/448735113.db2.gz WFHPBCCBFCHYSN-MRXNPFEDSA-N 1 2 329.429 1.708 20 30 EDEDLO N#Cc1cc(F)cc(C2(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)CC2)c1 ZINC000586796812 448813960 /nfs/dbraw/zinc/81/39/60/448813960.db2.gz BFJUCJHTSUDNGS-QGZVFWFLSA-N 1 2 343.402 1.662 20 30 EDEDLO N#CCC(=O)N1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000519555801 448785738 /nfs/dbraw/zinc/78/57/38/448785738.db2.gz ZRRZAELBNSHMGM-UHFFFAOYSA-N 1 2 342.443 1.077 20 30 EDEDLO COCc1ccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1C#N ZINC000529206390 448789221 /nfs/dbraw/zinc/78/92/21/448789221.db2.gz VVRCTOXMQQXTHC-SJORKVTESA-N 1 2 344.415 1.641 20 30 EDEDLO COCc1ccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1C#N ZINC000529206390 448789226 /nfs/dbraw/zinc/78/92/26/448789226.db2.gz VVRCTOXMQQXTHC-SJORKVTESA-N 1 2 344.415 1.641 20 30 EDEDLO COCc1nnc(-c2cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2)o1 ZINC000519699616 448823243 /nfs/dbraw/zinc/82/32/43/448823243.db2.gz HGPASIDCKQVVKZ-QGZVFWFLSA-N 1 2 343.387 1.457 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587056564 448833212 /nfs/dbraw/zinc/83/32/12/448833212.db2.gz JANAAXGSOWKBEJ-CYBMUJFWSA-N 1 2 339.399 1.536 20 30 EDEDLO C[C@H](NC(=O)C(=O)N(C)Cc1[nH+]ccn1C)c1cccc(C#N)c1 ZINC000587730863 448844644 /nfs/dbraw/zinc/84/46/44/448844644.db2.gz NQOJMDQNPCFYER-LBPRGKRZSA-N 1 2 325.372 1.128 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000592522036 448876122 /nfs/dbraw/zinc/87/61/22/448876122.db2.gz GZFKSDMCYRFZKJ-HNNXBMFYSA-N 1 2 326.299 1.867 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000592522036 448876124 /nfs/dbraw/zinc/87/61/24/448876124.db2.gz GZFKSDMCYRFZKJ-HNNXBMFYSA-N 1 2 326.299 1.867 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000579970001 448925509 /nfs/dbraw/zinc/92/55/09/448925509.db2.gz WNZSQWLDPVHGNU-CYBMUJFWSA-N 1 2 335.404 1.610 20 30 EDEDLO Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000568853188 448926609 /nfs/dbraw/zinc/92/66/09/448926609.db2.gz QIKBIRSTSPICCE-KRWDZBQOSA-N 1 2 328.420 1.894 20 30 EDEDLO CC1(C)C[NH+](CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000521269124 448968304 /nfs/dbraw/zinc/96/83/04/448968304.db2.gz RDCGNOPEXOQVKK-MRXNPFEDSA-N 1 2 340.427 1.117 20 30 EDEDLO N#CC1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)CCCCC1 ZINC000588842920 448937488 /nfs/dbraw/zinc/93/74/88/448937488.db2.gz OLZBAYMLUIDXRL-AWEZNQCLSA-N 1 2 331.420 1.872 20 30 EDEDLO N#CC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)CCCCC1 ZINC000588842920 448937491 /nfs/dbraw/zinc/93/74/91/448937491.db2.gz OLZBAYMLUIDXRL-AWEZNQCLSA-N 1 2 331.420 1.872 20 30 EDEDLO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000595661364 449102513 /nfs/dbraw/zinc/10/25/13/449102513.db2.gz HPKCQEZPHKRJHN-GXTWGEPZSA-N 1 2 328.328 1.028 20 30 EDEDLO C[C@H](CCC#N)[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000593024717 449106103 /nfs/dbraw/zinc/10/61/03/449106103.db2.gz KTZZRAKRAKVXNP-SNVBAGLBSA-N 1 2 342.387 1.129 20 30 EDEDLO CC1(C)C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CO1 ZINC000595667752 449108878 /nfs/dbraw/zinc/10/88/78/449108878.db2.gz XFIDGVHPVPHGML-KRWDZBQOSA-N 1 2 342.443 1.953 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@H](C)CO1 ZINC000593063650 449119782 /nfs/dbraw/zinc/11/97/82/449119782.db2.gz UHNSJSAFNXUUHF-BRWVUGGUSA-N 1 2 336.480 1.178 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@H](C)CO1 ZINC000593063650 449119785 /nfs/dbraw/zinc/11/97/85/449119785.db2.gz UHNSJSAFNXUUHF-BRWVUGGUSA-N 1 2 336.480 1.178 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc(C#N)cc1 ZINC000595687820 449119874 /nfs/dbraw/zinc/11/98/74/449119874.db2.gz MFVFKEPLFOBNQO-QAPCUYQASA-N 1 2 342.443 1.605 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000593155548 449154766 /nfs/dbraw/zinc/15/47/66/449154766.db2.gz ACXGSOZYGGXLTR-HNNXBMFYSA-N 1 2 333.417 1.691 20 30 EDEDLO Cc1cccc(OCCNC(=O)[C@H](C)[NH+]2CCN(CCC#N)CC2)c1 ZINC000611173734 449199678 /nfs/dbraw/zinc/19/96/78/449199678.db2.gz IPGPCCTUAACWNP-KRWDZBQOSA-N 1 2 344.459 1.410 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(CCC#N)CC1 ZINC000611173937 449199901 /nfs/dbraw/zinc/19/99/01/449199901.db2.gz RXIQJYRITKOZFP-HFCFLWKCSA-N 1 2 345.491 1.837 20 30 EDEDLO C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174960 449201105 /nfs/dbraw/zinc/20/11/05/449201105.db2.gz PZCLUGBGPAMSOF-INIZCTEOSA-N 1 2 326.444 1.886 20 30 EDEDLO N#CCCN1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000611175968 449202305 /nfs/dbraw/zinc/20/23/05/449202305.db2.gz QNTMUDBFDCHJON-ZDUSSCGKSA-N 1 2 332.370 1.319 20 30 EDEDLO N#CCc1cccc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000601891688 449208667 /nfs/dbraw/zinc/20/86/67/449208667.db2.gz BWCBBGXRNUMEPJ-UHFFFAOYSA-N 1 2 335.411 1.543 20 30 EDEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601853967 449185817 /nfs/dbraw/zinc/18/58/17/449185817.db2.gz GXOYJBZRPVLFEK-JONQDZQNSA-N 1 2 344.463 1.984 20 30 EDEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC000601853967 449185820 /nfs/dbraw/zinc/18/58/20/449185820.db2.gz GXOYJBZRPVLFEK-JONQDZQNSA-N 1 2 344.463 1.984 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1(C#N)CCCC1 ZINC000593775980 449190983 /nfs/dbraw/zinc/19/09/83/449190983.db2.gz RPZNHNJBVRCJMZ-HNNXBMFYSA-N 1 2 345.447 1.683 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1(C#N)CCCC1 ZINC000593775980 449190986 /nfs/dbraw/zinc/19/09/86/449190986.db2.gz RPZNHNJBVRCJMZ-HNNXBMFYSA-N 1 2 345.447 1.683 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000601968473 449252140 /nfs/dbraw/zinc/25/21/40/449252140.db2.gz LVHXSVGAKWXOJT-LBPRGKRZSA-N 1 2 332.385 1.057 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000590750887 449270755 /nfs/dbraw/zinc/27/07/55/449270755.db2.gz SVCKCZJSKOWJTD-LBPRGKRZSA-N 1 2 325.409 1.553 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000590750887 449270762 /nfs/dbraw/zinc/27/07/62/449270762.db2.gz SVCKCZJSKOWJTD-LBPRGKRZSA-N 1 2 325.409 1.553 20 30 EDEDLO N#CCc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000590782431 449292457 /nfs/dbraw/zinc/29/24/57/449292457.db2.gz QNYOKNJXEBBOMK-INIZCTEOSA-N 1 2 337.383 1.751 20 30 EDEDLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602044195 449296425 /nfs/dbraw/zinc/29/64/25/449296425.db2.gz BXFSOFYBJJWJTN-JTQLQIEISA-N 1 2 329.335 1.730 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(C#N)cn2)C1 ZINC000593952174 449304059 /nfs/dbraw/zinc/30/40/59/449304059.db2.gz OYQNKHOAJXBPPW-OAHLLOKOSA-N 1 2 344.415 1.187 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(C#N)cn2)C1 ZINC000593952174 449304067 /nfs/dbraw/zinc/30/40/67/449304067.db2.gz OYQNKHOAJXBPPW-OAHLLOKOSA-N 1 2 344.415 1.187 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)C(=O)Nc1cc(F)cc(C#N)c1)C2 ZINC000602028091 449285061 /nfs/dbraw/zinc/28/50/61/449285061.db2.gz YVKPTTCPJTYAQY-UHFFFAOYSA-N 1 2 341.346 1.492 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000594282405 449429254 /nfs/dbraw/zinc/42/92/54/449429254.db2.gz YWTOLCDGKDFQPH-ZDUSSCGKSA-N 1 2 338.415 1.640 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000594282405 449429260 /nfs/dbraw/zinc/42/92/60/449429260.db2.gz YWTOLCDGKDFQPH-ZDUSSCGKSA-N 1 2 338.415 1.640 20 30 EDEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000611692101 449384316 /nfs/dbraw/zinc/38/43/16/449384316.db2.gz RIWUYMYSLCCOKF-RBSFLKMASA-N 1 2 330.432 1.565 20 30 EDEDLO CC(C)[C@H](CNC(=O)c1cc(O)cc(C#N)c1)[NH+]1CCN(C)CC1 ZINC000614299926 449551107 /nfs/dbraw/zinc/55/11/07/449551107.db2.gz LHYOVWZBYTUJOO-KRWDZBQOSA-N 1 2 330.432 1.266 20 30 EDEDLO CC(C)[C@H](CNC(=O)c1cc(O)cc(C#N)c1)N1CC[NH+](C)CC1 ZINC000614299926 449551116 /nfs/dbraw/zinc/55/11/16/449551116.db2.gz LHYOVWZBYTUJOO-KRWDZBQOSA-N 1 2 330.432 1.266 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617479645 449629137 /nfs/dbraw/zinc/62/91/37/449629137.db2.gz UJNGZYCPOOUPCX-INIZCTEOSA-N 1 2 330.432 1.769 20 30 EDEDLO N#Cc1ccc(-n2cc(Cn3cc[nH+]c3CN3CCOCC3)nn2)cc1 ZINC000594651841 449607938 /nfs/dbraw/zinc/60/79/38/449607938.db2.gz LXRGJKCGGDZZMT-UHFFFAOYSA-N 1 2 349.398 1.216 20 30 EDEDLO CCN1CC[NH+]([C@H]2CCN(c3cc(C#N)nc(C4CC4)n3)C2)CC1 ZINC000601112830 449697168 /nfs/dbraw/zinc/69/71/68/449697168.db2.gz HIMPAAMRDJNBPP-INIZCTEOSA-N 1 2 326.448 1.442 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000596945263 449730117 /nfs/dbraw/zinc/73/01/17/449730117.db2.gz GSDNUBQXNRHCLA-FUHWJXTLSA-N 1 2 343.475 1.604 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000596945263 449730122 /nfs/dbraw/zinc/73/01/22/449730122.db2.gz GSDNUBQXNRHCLA-FUHWJXTLSA-N 1 2 343.475 1.604 20 30 EDEDLO C[C@H]1Cc2cc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)ccc2O1 ZINC000597025196 449773039 /nfs/dbraw/zinc/77/30/39/449773039.db2.gz YWOAPDFLDSQHSL-HNNXBMFYSA-N 1 2 343.427 1.698 20 30 EDEDLO N#CCc1ccccc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000601319207 449827879 /nfs/dbraw/zinc/82/78/79/449827879.db2.gz JEQRBYBPDOUWNH-KRWDZBQOSA-N 1 2 343.427 1.316 20 30 EDEDLO COc1ccc(C)cc1NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602855583 449863189 /nfs/dbraw/zinc/86/31/89/449863189.db2.gz IEJLXHKVSJKXAU-HUUCEWRRSA-N 1 2 330.432 1.860 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@H](C)N1CC#N ZINC000602858220 449867388 /nfs/dbraw/zinc/86/73/88/449867388.db2.gz QIIGFSNYUCADQY-HLLBOEOZSA-N 1 2 342.443 1.545 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@H](C)N1CC#N ZINC000602858220 449867393 /nfs/dbraw/zinc/86/73/93/449867393.db2.gz QIIGFSNYUCADQY-HLLBOEOZSA-N 1 2 342.443 1.545 20 30 EDEDLO Cc1csc2nc(C[NH+]3C[C@@H](C)N(CC#N)[C@H](C)C3)cc(=O)n12 ZINC000602860903 449869456 /nfs/dbraw/zinc/86/94/56/449869456.db2.gz JSHUHXXGTIQNFG-VXGBXAGGSA-N 1 2 331.445 1.483 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H](C(F)(F)F)O1 ZINC000599305284 449876852 /nfs/dbraw/zinc/87/68/52/449876852.db2.gz XJRBKZHTXLWFHI-KYOSRNDESA-N 1 2 344.333 1.950 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H](C(F)(F)F)O1 ZINC000599305284 449876858 /nfs/dbraw/zinc/87/68/58/449876858.db2.gz XJRBKZHTXLWFHI-KYOSRNDESA-N 1 2 344.333 1.950 20 30 EDEDLO CCOC(=O)[C@H](C)[N@H+](C[C@@H](O)COc1ccccc1C#N)C1CC1 ZINC000599385679 449934335 /nfs/dbraw/zinc/93/43/35/449934335.db2.gz FPFIKLIGGKUEEX-XJKSGUPXSA-N 1 2 332.400 1.714 20 30 EDEDLO CCOC(=O)[C@H](C)[N@@H+](C[C@@H](O)COc1ccccc1C#N)C1CC1 ZINC000599385679 449934340 /nfs/dbraw/zinc/93/43/40/449934340.db2.gz FPFIKLIGGKUEEX-XJKSGUPXSA-N 1 2 332.400 1.714 20 30 EDEDLO N#Cc1ccsc1NC(=O)CCN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599440260 449977452 /nfs/dbraw/zinc/97/74/52/449977452.db2.gz HSRFZCJJYLHYSL-UHFFFAOYSA-N 1 2 344.444 1.489 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000603003462 449999449 /nfs/dbraw/zinc/99/94/49/449999449.db2.gz ZKZHBICBZXIKEN-PBHICJAKSA-N 1 2 326.437 1.454 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC000603003462 449999457 /nfs/dbraw/zinc/99/94/57/449999457.db2.gz ZKZHBICBZXIKEN-PBHICJAKSA-N 1 2 326.437 1.454 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000609484653 450034946 /nfs/dbraw/zinc/03/49/46/450034946.db2.gz FCAIIEHCBWYBHY-ZWKOTPCHSA-N 1 2 326.444 1.958 20 30 EDEDLO COC1CC[NH+](Cc2cn(CCOc3ccc(C#N)cc3)nn2)CC1 ZINC000603178352 450116727 /nfs/dbraw/zinc/11/67/27/450116727.db2.gz SVIGSRMOJHAWJP-UHFFFAOYSA-N 1 2 341.415 1.840 20 30 EDEDLO N#CC1(NC(=O)Cn2cc(C[NH2+]Cc3ccc(F)cc3)nn2)CCC1 ZINC000603200880 450138376 /nfs/dbraw/zinc/13/83/76/450138376.db2.gz KQVKXWRAYBGGKW-UHFFFAOYSA-N 1 2 342.378 1.269 20 30 EDEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N(CCC#N)CC2CC2)C1 ZINC000603280696 450205524 /nfs/dbraw/zinc/20/55/24/450205524.db2.gz ODZTZWFSFBZRTQ-UHFFFAOYSA-N 1 2 333.457 1.989 20 30 EDEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N(CCC#N)CC2CC2)C1 ZINC000603280696 450205532 /nfs/dbraw/zinc/20/55/32/450205532.db2.gz ODZTZWFSFBZRTQ-UHFFFAOYSA-N 1 2 333.457 1.989 20 30 EDEDLO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCCC#N)C1 ZINC000595580127 450245662 /nfs/dbraw/zinc/24/56/62/450245662.db2.gz MWEFMDOUJHTCMV-KRWDZBQOSA-N 1 2 329.448 1.406 20 30 EDEDLO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCCC#N)C1 ZINC000595580127 450245666 /nfs/dbraw/zinc/24/56/66/450245666.db2.gz MWEFMDOUJHTCMV-KRWDZBQOSA-N 1 2 329.448 1.406 20 30 EDEDLO N#Cc1ccn(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c(=O)c1 ZINC000603347762 450256977 /nfs/dbraw/zinc/25/69/77/450256977.db2.gz NBCONJJTFQYZLE-UHFFFAOYSA-N 1 2 342.424 1.126 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618812405 450308763 /nfs/dbraw/zinc/30/87/63/450308763.db2.gz GQGRQEWQGAMPKA-RDJZCZTQSA-N 1 2 327.432 1.091 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618812405 450308769 /nfs/dbraw/zinc/30/87/69/450308769.db2.gz GQGRQEWQGAMPKA-RDJZCZTQSA-N 1 2 327.432 1.091 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3nc[nH]c3C2)c(OC)c1 ZINC000625440476 450363926 /nfs/dbraw/zinc/36/39/26/450363926.db2.gz QUDXBKTYTYOOKE-HNNXBMFYSA-N 1 2 343.427 1.945 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3nc[nH]c3C2)c(OC)c1 ZINC000625440476 450363933 /nfs/dbraw/zinc/36/39/33/450363933.db2.gz QUDXBKTYTYOOKE-HNNXBMFYSA-N 1 2 343.427 1.945 20 30 EDEDLO C[C@H](C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)n1cnc(C#N)n1 ZINC000619594893 450513951 /nfs/dbraw/zinc/51/39/51/450513951.db2.gz JKVIKNZCWCJBGT-HIFRSBDPSA-N 1 2 349.398 1.544 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(SC)cc2)nn1 ZINC000640897861 451680391 /nfs/dbraw/zinc/68/03/91/451680391.db2.gz WDPWBUBZWRLOPX-UHFFFAOYSA-N 1 2 329.429 1.752 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCC[C@H](C(F)(F)F)C2)nn1 ZINC000640961477 451706626 /nfs/dbraw/zinc/70/66/26/451706626.db2.gz YKOBVYIHULMUPF-LBPRGKRZSA-N 1 2 343.353 1.192 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC2CCN(C(=O)C(C)(C)C)CC2)nn1 ZINC000641150422 451763049 /nfs/dbraw/zinc/76/30/49/451763049.db2.gz MCEJMPQCLKLBCQ-UHFFFAOYSA-N 1 2 331.464 1.676 20 30 EDEDLO CC#CCN(C)C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000667291209 453537671 /nfs/dbraw/zinc/53/76/71/453537671.db2.gz FKNBMCMPXFEGIT-GOSISDBHSA-N 1 2 328.460 1.467 20 30 EDEDLO CC#CCN(C)C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000667291209 453537675 /nfs/dbraw/zinc/53/76/75/453537675.db2.gz FKNBMCMPXFEGIT-GOSISDBHSA-N 1 2 328.460 1.467 20 30 EDEDLO C=C(CC)CNC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000665063046 453561316 /nfs/dbraw/zinc/56/13/16/453561316.db2.gz KNJVVCNDJJVQDO-IBGZPJMESA-N 1 2 347.459 1.515 20 30 EDEDLO C=C(CC)CNC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000665063046 453561324 /nfs/dbraw/zinc/56/13/24/453561324.db2.gz KNJVVCNDJJVQDO-IBGZPJMESA-N 1 2 347.459 1.515 20 30 EDEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000665521558 453730399 /nfs/dbraw/zinc/73/03/99/453730399.db2.gz XNYLJXMLCHGMAF-SFHVURJKSA-N 1 2 332.400 1.039 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(c3ccccc3OC)C2=O)nn1 ZINC000657394382 453780383 /nfs/dbraw/zinc/78/03/83/453780383.db2.gz JIENOHPAOVWMCQ-OAHLLOKOSA-N 1 2 341.415 1.758 20 30 EDEDLO COCC#CC[NH+]1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000677820106 487175802 /nfs/dbraw/zinc/17/58/02/487175802.db2.gz GKOZRYWQNUTCAV-UHFFFAOYSA-N 1 2 348.443 1.480 20 30 EDEDLO COCC#CCN1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000677820106 487175804 /nfs/dbraw/zinc/17/58/04/487175804.db2.gz GKOZRYWQNUTCAV-UHFFFAOYSA-N 1 2 348.443 1.480 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(c3nccc(C(C)C)n3)CC2)C1=O ZINC000685003517 487212640 /nfs/dbraw/zinc/21/26/40/487212640.db2.gz KXCFAVZSHJQZDD-INIZCTEOSA-N 1 2 329.448 1.509 20 30 EDEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 ZINC000678049648 487233914 /nfs/dbraw/zinc/23/39/14/487233914.db2.gz NXRCVCNGOIOVKX-IRXDYDNUSA-N 1 2 332.444 1.844 20 30 EDEDLO C=CCNc1ncc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)s1 ZINC000129343895 526679186 /nfs/dbraw/zinc/67/91/86/526679186.db2.gz QPJOOPAFYFQERC-ZDUSSCGKSA-N 1 2 336.461 1.678 20 30 EDEDLO C=CCOc1ccccc1C[NH+]1CCN(CC(=O)NCCOC)CC1 ZINC000112143123 526934481 /nfs/dbraw/zinc/93/44/81/526934481.db2.gz WIYXVVQANYRJDL-UHFFFAOYSA-N 1 2 347.459 1.132 20 30 EDEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000092842381 528374327 /nfs/dbraw/zinc/37/43/27/528374327.db2.gz QGRPKIQSQKCDHI-HNNXBMFYSA-N 1 2 326.849 1.705 20 30 EDEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000092842381 528374333 /nfs/dbraw/zinc/37/43/33/528374333.db2.gz QGRPKIQSQKCDHI-HNNXBMFYSA-N 1 2 326.849 1.705 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000759439773 580005969 /nfs/dbraw/zinc/00/59/69/580005969.db2.gz YYEDNANEEUDLGQ-KTZOAPACSA-N 1 2 327.428 1.687 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000759439773 580005970 /nfs/dbraw/zinc/00/59/70/580005970.db2.gz YYEDNANEEUDLGQ-KTZOAPACSA-N 1 2 327.428 1.687 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCNC(=O)C1 ZINC000726790154 578360452 /nfs/dbraw/zinc/36/04/52/578360452.db2.gz AHQZOWGWYGFBIK-CYBMUJFWSA-N 1 2 335.367 1.046 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCCNC(=O)C1 ZINC000726790154 578360453 /nfs/dbraw/zinc/36/04/53/578360453.db2.gz AHQZOWGWYGFBIK-CYBMUJFWSA-N 1 2 335.367 1.046 20 30 EDEDLO C#CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC1 ZINC000760227730 580026309 /nfs/dbraw/zinc/02/63/09/580026309.db2.gz UYEFNIGKUWEUTA-UHFFFAOYSA-N 1 2 328.372 1.242 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC000729974929 578604882 /nfs/dbraw/zinc/60/48/82/578604882.db2.gz HLWFOJBICJOSTH-SREVYHEPSA-N 1 2 335.411 1.649 20 30 EDEDLO C=C(Br)CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000730065912 578612315 /nfs/dbraw/zinc/61/23/15/578612315.db2.gz BKVIGASXDRWFKL-UHFFFAOYSA-N 1 2 342.241 1.156 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000730278632 578638698 /nfs/dbraw/zinc/63/86/98/578638698.db2.gz PDFASDASIGVZBA-INIZCTEOSA-N 1 2 327.384 1.675 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000730278632 578638700 /nfs/dbraw/zinc/63/87/00/578638700.db2.gz PDFASDASIGVZBA-INIZCTEOSA-N 1 2 327.384 1.675 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000731113868 578668239 /nfs/dbraw/zinc/66/82/39/578668239.db2.gz VVBVKMFPXABZBS-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000731113868 578668240 /nfs/dbraw/zinc/66/82/40/578668240.db2.gz VVBVKMFPXABZBS-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)N[C@](C)(COC)C1=O ZINC000733295355 578757834 /nfs/dbraw/zinc/75/78/34/578757834.db2.gz ZQDIPTSRGAKUDB-GOSISDBHSA-N 1 2 331.416 1.632 20 30 EDEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)N[C@](C)(COC)C1=O ZINC000733295355 578757835 /nfs/dbraw/zinc/75/78/35/578757835.db2.gz ZQDIPTSRGAKUDB-GOSISDBHSA-N 1 2 331.416 1.632 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000735940927 578939639 /nfs/dbraw/zinc/93/96/39/578939639.db2.gz WBTRRYADRSDHNZ-UHFFFAOYSA-N 1 2 344.411 1.905 20 30 EDEDLO N#Cc1ccc2[nH+]cc(/C=C3/SC(N4CCOCC4)=NC3=O)n2c1 ZINC000736432886 578988192 /nfs/dbraw/zinc/98/81/92/578988192.db2.gz JOOJEDRHKJLZEU-NTUHNPAUSA-N 1 2 339.380 1.508 20 30 EDEDLO COc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000746704952 579607273 /nfs/dbraw/zinc/60/72/73/579607273.db2.gz KRNGNIUEBKNTIW-CYBMUJFWSA-N 1 2 332.404 1.087 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(CC(C)C)c2ccc(OC)cc2)CC1 ZINC000748815503 579701244 /nfs/dbraw/zinc/70/12/44/579701244.db2.gz NPKFLFQKIZZNOH-UHFFFAOYSA-N 1 2 343.471 1.935 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000748821168 579702105 /nfs/dbraw/zinc/70/21/05/579702105.db2.gz KCGIWHPMOSDGBG-UHFFFAOYSA-N 1 2 331.847 1.476 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000748821168 579702106 /nfs/dbraw/zinc/70/21/06/579702106.db2.gz KCGIWHPMOSDGBG-UHFFFAOYSA-N 1 2 331.847 1.476 20 30 EDEDLO C#CC[N@@H+](CC)CC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C ZINC000749154959 579714462 /nfs/dbraw/zinc/71/44/62/579714462.db2.gz JSBRSBKGKQFYCH-KRWDZBQOSA-N 1 2 341.411 1.765 20 30 EDEDLO C#CC[N@H+](CC)CC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C ZINC000749154959 579714464 /nfs/dbraw/zinc/71/44/64/579714464.db2.gz JSBRSBKGKQFYCH-KRWDZBQOSA-N 1 2 341.411 1.765 20 30 EDEDLO CC(=O)OCC(C)(C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000777855406 580451942 /nfs/dbraw/zinc/45/19/42/580451942.db2.gz NOIQMCQZCOWELL-UHFFFAOYSA-N 1 2 339.436 1.040 20 30 EDEDLO C[C@H]1CC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C[C@@H]1F ZINC000777963161 580453596 /nfs/dbraw/zinc/45/35/96/580453596.db2.gz GMYMOKXFNNBVOY-BBRMVZONSA-N 1 2 344.390 1.960 20 30 EDEDLO C[C@H]1CC[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C[C@@H]1F ZINC000777963161 580453597 /nfs/dbraw/zinc/45/35/97/580453597.db2.gz GMYMOKXFNNBVOY-BBRMVZONSA-N 1 2 344.390 1.960 20 30 EDEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(=O)N(c2ccccc2OCC)C1=O ZINC000777964619 580453666 /nfs/dbraw/zinc/45/36/66/580453666.db2.gz QGZVXCVKWJONOZ-UHFFFAOYSA-N 1 2 331.372 1.846 20 30 EDEDLO C=C(C)C[N@H+](C)CN1C(=O)C(=O)N(c2ccccc2OCC)C1=O ZINC000777964619 580453667 /nfs/dbraw/zinc/45/36/67/580453667.db2.gz QGZVXCVKWJONOZ-UHFFFAOYSA-N 1 2 331.372 1.846 20 30 EDEDLO COc1cccc([C@H](C#N)NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1OC ZINC000750865087 579784578 /nfs/dbraw/zinc/78/45/78/579784578.db2.gz ZFXDFVBFIOGKRT-WFASDCNBSA-N 1 2 340.383 1.844 20 30 EDEDLO N#Cc1cccc(CNC(=O)COC(=O)CCc2ccc(N)[nH+]c2)c1 ZINC000751456769 579808161 /nfs/dbraw/zinc/80/81/61/579808161.db2.gz VWZMWOACUUKZLI-UHFFFAOYSA-N 1 2 338.367 1.328 20 30 EDEDLO CO[C@@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000752322763 579845635 /nfs/dbraw/zinc/84/56/35/579845635.db2.gz QQGZOUDUSPSUBB-DGCLKSJQSA-N 1 2 326.356 1.232 20 30 EDEDLO CO[C@@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000752322763 579845637 /nfs/dbraw/zinc/84/56/37/579845637.db2.gz QQGZOUDUSPSUBB-DGCLKSJQSA-N 1 2 326.356 1.232 20 30 EDEDLO Cc1cc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])[nH]n1 ZINC000752723194 579864360 /nfs/dbraw/zinc/86/43/60/579864360.db2.gz UXUQKIOMDKOLKI-UHFFFAOYSA-N 1 2 336.399 1.878 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000755784058 579934973 /nfs/dbraw/zinc/93/49/73/579934973.db2.gz WCCBPQSOVIXPPH-SFHVURJKSA-N 1 2 335.407 1.933 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000755784058 579934974 /nfs/dbraw/zinc/93/49/74/579934974.db2.gz WCCBPQSOVIXPPH-SFHVURJKSA-N 1 2 335.407 1.933 20 30 EDEDLO Cn1c(=O)[nH]cc(C(=O)C=Cc2c[nH+]c3ccc(Cl)cn23)c1=O ZINC000761806375 580062073 /nfs/dbraw/zinc/06/20/73/580062073.db2.gz ZYCNVYIZSNPAHB-ONEGZZNKSA-N 1 2 330.731 1.683 20 30 EDEDLO C[C@@H](C=NNC(=S)NCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000756870664 579959098 /nfs/dbraw/zinc/95/90/98/579959098.db2.gz MECXGSPHCWFISD-ZDUSSCGKSA-N 1 2 338.452 1.711 20 30 EDEDLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](C)C#N ZINC000757906041 579972723 /nfs/dbraw/zinc/97/27/23/579972723.db2.gz GRROUEDDNCAIHH-ONGXEEELSA-N 1 2 330.841 1.454 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000758088800 579975236 /nfs/dbraw/zinc/97/52/36/579975236.db2.gz UBMTYPNLDHKIPP-UHFFFAOYSA-N 1 2 339.380 1.617 20 30 EDEDLO COc1ccc2c(c1)C(=NNc1ccc(-n3cc[nH+]c3)nn1)C(=O)N2 ZINC000761856693 580062646 /nfs/dbraw/zinc/06/26/46/580062646.db2.gz DGIWGRLTNGCANT-UHFFFAOYSA-N 1 2 335.327 1.439 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000763560295 580101922 /nfs/dbraw/zinc/10/19/22/580101922.db2.gz LVGBFBVJQOTRCT-QHCPKHFHSA-N 1 2 335.473 1.323 20 30 EDEDLO C[S@](=O)CCN1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000763560295 580101923 /nfs/dbraw/zinc/10/19/23/580101923.db2.gz LVGBFBVJQOTRCT-QHCPKHFHSA-N 1 2 335.473 1.323 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)NC1=NO[C@H](C)C1)CC2 ZINC000765375010 580140685 /nfs/dbraw/zinc/14/06/85/580140685.db2.gz DLVISUGZBWRAHS-LLVKDONJSA-N 1 2 333.388 1.300 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC1=NO[C@H](C)C1)CC2 ZINC000765375010 580140686 /nfs/dbraw/zinc/14/06/86/580140686.db2.gz DLVISUGZBWRAHS-LLVKDONJSA-N 1 2 333.388 1.300 20 30 EDEDLO NC(=NOCc1ccccn1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000767546682 580192580 /nfs/dbraw/zinc/19/25/80/580192580.db2.gz FSORJCRZPWBLPD-UHFFFAOYSA-N 1 2 326.400 1.751 20 30 EDEDLO C#CCCCCC(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000773630925 580342894 /nfs/dbraw/zinc/34/28/94/580342894.db2.gz UWVZJOQJNOKIGK-UHFFFAOYSA-N 1 2 332.400 1.661 20 30 EDEDLO CC(C)C1(O)C[NH+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000773895159 580348795 /nfs/dbraw/zinc/34/87/95/580348795.db2.gz GLZIQEZSCZWYLK-CQSZACIVSA-N 1 2 336.395 1.926 20 30 EDEDLO CCCCCCNC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773969573 580350684 /nfs/dbraw/zinc/35/06/84/580350684.db2.gz JZVBEDFFCVPBIY-KBPBESRZSA-N 1 2 325.478 1.829 20 30 EDEDLO CCCCCCNC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000773969573 580350685 /nfs/dbraw/zinc/35/06/85/580350685.db2.gz JZVBEDFFCVPBIY-KBPBESRZSA-N 1 2 325.478 1.829 20 30 EDEDLO C#CCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775440405 580390865 /nfs/dbraw/zinc/39/08/65/580390865.db2.gz RKTIVIPWCGPYLJ-AWEZNQCLSA-N 1 2 338.452 1.250 20 30 EDEDLO C#CCCCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775440405 580390866 /nfs/dbraw/zinc/39/08/66/580390866.db2.gz RKTIVIPWCGPYLJ-AWEZNQCLSA-N 1 2 338.452 1.250 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccnn1CC1CC1 ZINC000776034062 580406490 /nfs/dbraw/zinc/40/64/90/580406490.db2.gz KXSQWWNRDRZPTI-UHFFFAOYSA-N 1 2 346.435 1.373 20 30 EDEDLO COc1ccc(C(C)=NNC2=[NH+]C[C@H](C)N2)cc1Cn1cccn1 ZINC000779797853 580497602 /nfs/dbraw/zinc/49/76/02/580497602.db2.gz KCEPYHGXFCGDHG-LBPRGKRZSA-N 1 2 326.404 1.601 20 30 EDEDLO COc1ccccc1[C@@H](NC(=O)NC[C@@H](C)C#N)c1[nH+]ccn1C ZINC000781926498 580560430 /nfs/dbraw/zinc/56/04/30/580560430.db2.gz INWHVBARMKXENB-SWLSCSKDSA-N 1 2 327.388 1.977 20 30 EDEDLO C#CCOCCNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000784190916 580615054 /nfs/dbraw/zinc/61/50/54/580615054.db2.gz TVWVPZWHMTUPPO-SFHVURJKSA-N 1 2 345.443 1.317 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000784457961 580621379 /nfs/dbraw/zinc/62/13/79/580621379.db2.gz UZNSSRRUDASKLY-CQSZACIVSA-N 1 2 329.356 1.347 20 30 EDEDLO C#CCCCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000785607149 580648113 /nfs/dbraw/zinc/64/81/13/580648113.db2.gz VDAFZLBEURFHPY-HNNXBMFYSA-N 1 2 342.374 1.294 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000793551795 580847591 /nfs/dbraw/zinc/84/75/91/580847591.db2.gz HJWCLPGAOAHTPO-DEOSSOPVSA-N 1 2 347.484 1.624 20 30 EDEDLO CCOC(=O)c1cnn(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000793589904 580848377 /nfs/dbraw/zinc/84/83/77/580848377.db2.gz IPVYBEAZFIEHNY-HNNXBMFYSA-N 1 2 341.371 1.437 20 30 EDEDLO CCOC(=O)c1cnn(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000793589904 580848378 /nfs/dbraw/zinc/84/83/78/580848378.db2.gz IPVYBEAZFIEHNY-HNNXBMFYSA-N 1 2 341.371 1.437 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000795050711 580911311 /nfs/dbraw/zinc/91/13/11/580911311.db2.gz NLGKKCQJRLLVJF-UHFFFAOYSA-N 1 2 345.410 1.856 20 30 EDEDLO C#CCNC(=O)C[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000795151961 580914542 /nfs/dbraw/zinc/91/45/42/580914542.db2.gz OMDJYSYWWJGMLE-UHFFFAOYSA-N 1 2 349.434 1.573 20 30 EDEDLO C#CCNC(=O)C[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000795151961 580914543 /nfs/dbraw/zinc/91/45/43/580914543.db2.gz OMDJYSYWWJGMLE-UHFFFAOYSA-N 1 2 349.434 1.573 20 30 EDEDLO C[NH+]1CCC(C#N)(NC(=O)c2cc(=O)c3ccc(F)cc3o2)CC1 ZINC000796227739 580948833 /nfs/dbraw/zinc/94/88/33/580948833.db2.gz SKNGFYMCCVKTEB-UHFFFAOYSA-N 1 2 329.331 1.650 20 30 EDEDLO C#CCC[C@@H](O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000798420002 580996914 /nfs/dbraw/zinc/99/69/14/580996914.db2.gz YKHFVNBZGIQOIC-OAHLLOKOSA-N 1 2 333.388 1.613 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800138873 581044666 /nfs/dbraw/zinc/04/46/66/581044666.db2.gz ZBPHPGHOIILPBH-CQSZACIVSA-N 1 2 348.447 1.610 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800138873 581044667 /nfs/dbraw/zinc/04/46/67/581044667.db2.gz ZBPHPGHOIILPBH-CQSZACIVSA-N 1 2 348.447 1.610 20 30 EDEDLO C[C@@H](C#N)OCCOC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000801842162 581086301 /nfs/dbraw/zinc/08/63/01/581086301.db2.gz HQGYLXUXGQLBCL-DOTOQJQBSA-N 1 2 332.400 1.749 20 30 EDEDLO C[C@@H](C#N)OCCOC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000801842162 581086302 /nfs/dbraw/zinc/08/63/02/581086302.db2.gz HQGYLXUXGQLBCL-DOTOQJQBSA-N 1 2 332.400 1.749 20 30 EDEDLO C#CC[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000895803443 591276687 /nfs/dbraw/zinc/27/66/87/591276687.db2.gz IEEFLVUUJQXHQD-UHFFFAOYSA-N 1 2 337.401 1.508 20 30 EDEDLO C#CCSCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000888212832 591468708 /nfs/dbraw/zinc/46/87/08/591468708.db2.gz DTNXHQJBZVUWQQ-OKILXGFUSA-N 1 2 333.457 1.678 20 30 EDEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000895065640 591559470 /nfs/dbraw/zinc/55/94/70/591559470.db2.gz FVQLKXYQGJXSMF-UHFFFAOYSA-N 1 2 346.406 1.220 20 30 EDEDLO COC(=O)[C@H](C)Oc1ccccc1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895075506 591568872 /nfs/dbraw/zinc/56/88/72/591568872.db2.gz SWQKATJZMCJICG-AWEZNQCLSA-N 1 2 345.399 1.185 20 30 EDEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898906701 591593353 /nfs/dbraw/zinc/59/33/53/591593353.db2.gz ODKJQXGFFQJBQF-QGZVFWFLSA-N 1 2 334.420 1.996 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1[nH]c2ccccc2c1C#N ZINC000897734667 591654810 /nfs/dbraw/zinc/65/48/10/591654810.db2.gz IFRVVTNSXYQLAP-KBPBESRZSA-N 1 2 338.411 1.975 20 30 EDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)[nH]n1 ZINC000899182749 591716797 /nfs/dbraw/zinc/71/67/97/591716797.db2.gz AGZHINVYYWEKRM-CRAIPNDOSA-N 1 2 335.411 1.945 20 30 EDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)[nH]n1 ZINC000899182749 591716799 /nfs/dbraw/zinc/71/67/99/591716799.db2.gz AGZHINVYYWEKRM-CRAIPNDOSA-N 1 2 335.411 1.945 20 30 EDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)n[nH]1 ZINC000899182749 591716801 /nfs/dbraw/zinc/71/68/01/591716801.db2.gz AGZHINVYYWEKRM-CRAIPNDOSA-N 1 2 335.411 1.945 20 30 EDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)n[nH]1 ZINC000899182749 591716802 /nfs/dbraw/zinc/71/68/02/591716802.db2.gz AGZHINVYYWEKRM-CRAIPNDOSA-N 1 2 335.411 1.945 20 30 EDEDLO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000903105538 592120957 /nfs/dbraw/zinc/12/09/57/592120957.db2.gz DMMKQWCULCCLHE-AWEZNQCLSA-N 1 2 349.456 1.662 20 30 EDEDLO CS[C@H]1CCCC(=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000901130266 592235609 /nfs/dbraw/zinc/23/56/09/592235609.db2.gz QCYGNIVYIINNCE-ZDUSSCGKSA-N 1 2 330.523 1.444 20 30 EDEDLO C=CC[C@H](CC)NC(=O)[C@@H]1CC[C@H](C(N)=O)[N@@H+]1Cc1ccccc1 ZINC000907964018 592236551 /nfs/dbraw/zinc/23/65/51/592236551.db2.gz ZBWNSZPZZCILDC-BBWFWOEESA-N 1 2 329.444 1.976 20 30 EDEDLO C=CC[C@H](CC)NC(=O)[C@@H]1CC[C@H](C(N)=O)[N@H+]1Cc1ccccc1 ZINC000907964018 592236555 /nfs/dbraw/zinc/23/65/55/592236555.db2.gz ZBWNSZPZZCILDC-BBWFWOEESA-N 1 2 329.444 1.976 20 30 EDEDLO Cn1nc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1-c1ccc(F)cc1 ZINC000905494885 592553246 /nfs/dbraw/zinc/55/32/46/592553246.db2.gz FZQIQAHNVOVCQF-QGZVFWFLSA-N 1 2 329.379 1.800 20 30 EDEDLO CO[C@H]1CC[N@H+](Cc2nc(C(=O)N3CCC[C@@](C)(C#N)C3)co2)C1 ZINC000907334618 592594143 /nfs/dbraw/zinc/59/41/43/592594143.db2.gz HXRJPQLTQADCMB-GUYCJALGSA-N 1 2 332.404 1.661 20 30 EDEDLO CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3CCC[C@@](C)(C#N)C3)co2)C1 ZINC000907334618 592594145 /nfs/dbraw/zinc/59/41/45/592594145.db2.gz HXRJPQLTQADCMB-GUYCJALGSA-N 1 2 332.404 1.661 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1cn(C)nn1 ZINC000905866550 592660983 /nfs/dbraw/zinc/66/09/83/592660983.db2.gz WKPLDTIJOOQJEF-KGLIPLIRSA-N 1 2 326.404 1.801 20 30 EDEDLO CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)CC1 ZINC000906602848 592862346 /nfs/dbraw/zinc/86/23/46/592862346.db2.gz TXARDDHTEVSYEC-HTPOPCQBSA-N 1 2 349.475 1.248 20 30 EDEDLO C=CCNc1ncc(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)s1 ZINC000912223628 593077384 /nfs/dbraw/zinc/07/73/84/593077384.db2.gz RKSIXKKYSRMFLD-LBPRGKRZSA-N 1 2 349.460 1.964 20 30 EDEDLO N#C[C@H]1CCCC[C@@H]1NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000912408261 593093774 /nfs/dbraw/zinc/09/37/74/593093774.db2.gz UTKKNYCZPVWQPQ-CVEARBPZSA-N 1 2 330.432 1.632 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000840745844 593108542 /nfs/dbraw/zinc/10/85/42/593108542.db2.gz VTGWJOLODVCXTJ-ZDUSSCGKSA-N 1 2 342.395 1.867 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000840745844 593108543 /nfs/dbraw/zinc/10/85/43/593108543.db2.gz VTGWJOLODVCXTJ-ZDUSSCGKSA-N 1 2 342.395 1.867 20 30 EDEDLO Fc1cc(Cl)ccc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000783511704 593132383 /nfs/dbraw/zinc/13/23/83/593132383.db2.gz KWHBUIGCVFTMQN-UHFFFAOYSA-N 1 2 344.843 1.609 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000838568602 593188600 /nfs/dbraw/zinc/18/86/00/593188600.db2.gz XIRYRRMKUKRTAM-HNNXBMFYSA-N 1 2 347.846 1.742 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000838568602 593188601 /nfs/dbraw/zinc/18/86/01/593188601.db2.gz XIRYRRMKUKRTAM-HNNXBMFYSA-N 1 2 347.846 1.742 20 30 EDEDLO CC(C)NS(=O)(=O)c1ccc(N[NH+]=Cc2ccc(N)nc2)nc1 ZINC000807963341 593212932 /nfs/dbraw/zinc/21/29/32/593212932.db2.gz RFXNWVORXLSFEL-UHFFFAOYSA-N 1 2 334.405 1.192 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CCOC)CC1 ZINC000802340050 593245479 /nfs/dbraw/zinc/24/54/79/593245479.db2.gz AUJKSZIFFRWLPS-UHFFFAOYSA-N 1 2 343.406 1.486 20 30 EDEDLO C=CCSCCNC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000803206326 593309104 /nfs/dbraw/zinc/30/91/04/593309104.db2.gz SBRDNXFZSDLMBX-UHFFFAOYSA-N 1 2 337.445 1.359 20 30 EDEDLO C#CCCCS(=O)(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000805032400 593327847 /nfs/dbraw/zinc/32/78/47/593327847.db2.gz ZUPZAYNFVLTJRK-UHFFFAOYSA-N 1 2 329.491 1.229 20 30 EDEDLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758247394 593398697 /nfs/dbraw/zinc/39/86/97/593398697.db2.gz HBHYPGZSUVYKBR-CQSZACIVSA-N 1 2 331.416 1.897 20 30 EDEDLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000758247394 593398699 /nfs/dbraw/zinc/39/86/99/593398699.db2.gz HBHYPGZSUVYKBR-CQSZACIVSA-N 1 2 331.416 1.897 20 30 EDEDLO C=CCN1CCN(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)C1=O ZINC000840058212 593435581 /nfs/dbraw/zinc/43/55/81/593435581.db2.gz MOZBJYSGXSGZSQ-AWEZNQCLSA-N 1 2 334.395 1.945 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)C1=O ZINC000840058212 593435583 /nfs/dbraw/zinc/43/55/83/593435583.db2.gz MOZBJYSGXSGZSQ-AWEZNQCLSA-N 1 2 334.395 1.945 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000806621885 593460334 /nfs/dbraw/zinc/46/03/34/593460334.db2.gz UFIWQMXCFVGHRW-CQSZACIVSA-N 1 2 335.448 1.267 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(COC)OCCc2ccccc21 ZINC000811586096 593474538 /nfs/dbraw/zinc/47/45/38/593474538.db2.gz BPKUPJHOUHNRDQ-ICSRJNTNSA-N 1 2 342.439 1.315 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(COC)OCCc2ccccc21 ZINC000811586096 593474539 /nfs/dbraw/zinc/47/45/39/593474539.db2.gz BPKUPJHOUHNRDQ-ICSRJNTNSA-N 1 2 342.439 1.315 20 30 EDEDLO CC1(C)C(=O)N(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)[C@H]1C1CC1 ZINC000811734344 593477425 /nfs/dbraw/zinc/47/74/25/593477425.db2.gz CPVMVGDFBVLUOL-KRWDZBQOSA-N 1 2 339.443 1.680 20 30 EDEDLO N#Cc1sc(NCC2([NH+]3CCOCC3)CCOCC2)nc1Cl ZINC000840332171 593537994 /nfs/dbraw/zinc/53/79/94/593537994.db2.gz WBMLSDUPFVFWAH-UHFFFAOYSA-N 1 2 342.852 1.961 20 30 EDEDLO CC(Cc1ccc(F)cc1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000814717571 593601371 /nfs/dbraw/zinc/60/13/71/593601371.db2.gz ZDHNCLJEIHVENJ-UHFFFAOYSA-N 1 2 338.452 1.540 20 30 EDEDLO C#Cc1cccc(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000817843189 593640157 /nfs/dbraw/zinc/64/01/57/593640157.db2.gz RTNPMEGYUSZNPL-UHFFFAOYSA-N 1 2 336.395 1.413 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cccc2cccnc12 ZINC000818219010 593684641 /nfs/dbraw/zinc/68/46/41/593684641.db2.gz UYFGFHTUTZWBTD-UHFFFAOYSA-N 1 2 343.456 1.365 20 30 EDEDLO C#C[C@H](C)NC(=O)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000820436287 593818885 /nfs/dbraw/zinc/81/88/85/593818885.db2.gz VCDHGRJAIJDPEF-BBRMVZONSA-N 1 2 335.835 1.722 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cnsn3)CC2)cc1 ZINC000821423563 593832174 /nfs/dbraw/zinc/83/21/74/593832174.db2.gz HODCTYJSKPQLQJ-UHFFFAOYSA-N 1 2 328.401 1.759 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000820605736 593842999 /nfs/dbraw/zinc/84/29/99/593842999.db2.gz QKVUZOLSLPBKCX-GOSISDBHSA-N 1 2 337.427 1.622 20 30 EDEDLO C#CC[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(=O)OC ZINC000821118335 593970123 /nfs/dbraw/zinc/97/01/23/593970123.db2.gz IRVUDFSJHOTJFY-HUUCEWRRSA-N 1 2 325.368 1.613 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000824300186 593980071 /nfs/dbraw/zinc/98/00/71/593980071.db2.gz WHKPHRMBIZKOPC-HNNXBMFYSA-N 1 2 327.388 1.354 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000822713477 594090228 /nfs/dbraw/zinc/09/02/28/594090228.db2.gz RNSSZLXMVAQSCK-AWEZNQCLSA-N 1 2 336.395 1.593 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000822713477 594090230 /nfs/dbraw/zinc/09/02/30/594090230.db2.gz RNSSZLXMVAQSCK-AWEZNQCLSA-N 1 2 336.395 1.593 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000822801932 594102608 /nfs/dbraw/zinc/10/26/08/594102608.db2.gz ROQSWBOLXNJFJK-INIZCTEOSA-N 1 2 349.398 1.842 20 30 EDEDLO N#CCOc1cccc(CC(=O)N2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000823028995 594140339 /nfs/dbraw/zinc/14/03/39/594140339.db2.gz ANBAPHAJMQSYOT-UHFFFAOYSA-N 1 2 339.399 1.199 20 30 EDEDLO Cn1c[nH+]c(/C=C/C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 ZINC000830180658 594350985 /nfs/dbraw/zinc/35/09/85/594350985.db2.gz RAKDNQJPQXTYLH-BIENSFFJSA-N 1 2 336.399 1.803 20 30 EDEDLO C#CCN(CC(=O)NCCCNc1cccc[nH+]1)C(=O)OC(C)(C)C ZINC000828150755 594352058 /nfs/dbraw/zinc/35/20/58/594352058.db2.gz VKOYPWXTKVBPQR-UHFFFAOYSA-N 1 2 346.431 1.870 20 30 EDEDLO COc1cc(-c2nn[nH]n2)ccc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000826173158 594361618 /nfs/dbraw/zinc/36/16/18/594361618.db2.gz PCBIDNXRCJJZKQ-UHFFFAOYSA-N 1 2 342.334 1.852 20 30 EDEDLO Cc1ccc(C#N)cc1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000828336771 594395208 /nfs/dbraw/zinc/39/52/08/594395208.db2.gz WADUYSLKNYKZAM-UHFFFAOYSA-N 1 2 335.411 1.657 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831447447 594632504 /nfs/dbraw/zinc/63/25/04/594632504.db2.gz MPVSNFMFFJJTLX-HNNXBMFYSA-N 1 2 332.423 1.932 20 30 EDEDLO CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000831687424 594692674 /nfs/dbraw/zinc/69/26/74/594692674.db2.gz QDMITBHCXLRPIT-UHFFFAOYSA-N 1 2 343.427 1.814 20 30 EDEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000832414956 594748652 /nfs/dbraw/zinc/74/86/52/594748652.db2.gz NHPCPBYKGWVAGM-LBPRGKRZSA-N 1 2 325.409 1.802 20 30 EDEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000832414956 594748653 /nfs/dbraw/zinc/74/86/53/594748653.db2.gz NHPCPBYKGWVAGM-LBPRGKRZSA-N 1 2 325.409 1.802 20 30 EDEDLO CCn1c[nH+]cc1CN=Nc1ccc(S(=O)(=O)NC(C)C)cn1 ZINC000841618285 594929191 /nfs/dbraw/zinc/92/91/91/594929191.db2.gz QTTCIYQJQDRXNW-UHFFFAOYSA-N 1 2 336.421 1.431 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2cc(Cl)cc(C#N)c2)C1 ZINC000867272670 594954197 /nfs/dbraw/zinc/95/41/97/594954197.db2.gz JHKCLRWUWLEFPH-CYBMUJFWSA-N 1 2 330.793 1.251 20 30 EDEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2cc(Cl)cc(C#N)c2)C1 ZINC000867272670 594954199 /nfs/dbraw/zinc/95/41/99/594954199.db2.gz JHKCLRWUWLEFPH-CYBMUJFWSA-N 1 2 330.793 1.251 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000836384607 594957919 /nfs/dbraw/zinc/95/79/19/594957919.db2.gz KCABLCZIJWFXII-CALCHBBNSA-N 1 2 329.400 1.683 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000836384607 594957921 /nfs/dbraw/zinc/95/79/21/594957921.db2.gz KCABLCZIJWFXII-CALCHBBNSA-N 1 2 329.400 1.683 20 30 EDEDLO Cc1nc([C@@H](C)ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000842024640 595004673 /nfs/dbraw/zinc/00/46/73/595004673.db2.gz PJZMTHMPZMHUOQ-GFCCVEGCSA-N 1 2 345.403 1.608 20 30 EDEDLO N#Cc1cccc(NC(=O)CO[NH+]=C(N)COC[C@H]2CCCO2)c1 ZINC000842654645 595158416 /nfs/dbraw/zinc/15/84/16/595158416.db2.gz AXAKQBNMRYXEDW-CQSZACIVSA-N 1 2 332.360 1.191 20 30 EDEDLO N#Cc1cccc(OCCCO[NH+]=C(N)COC[C@@H]2CCOC2)c1 ZINC000842656508 595160240 /nfs/dbraw/zinc/16/02/40/595160240.db2.gz FIOJYNPMIHLHRR-OAHLLOKOSA-N 1 2 333.388 1.879 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000834575205 595166978 /nfs/dbraw/zinc/16/69/78/595166978.db2.gz CBLCFUGTKZSNFQ-CQSZACIVSA-N 1 2 328.416 1.026 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000834642119 595182360 /nfs/dbraw/zinc/18/23/60/595182360.db2.gz OQDNVXPJAKZNMB-INIZCTEOSA-N 1 2 339.439 1.380 20 30 EDEDLO COc1ccc([NH+]2CCC(NC(=O)N3CCO[C@H](C#N)C3)CC2)cc1 ZINC000106337916 595231224 /nfs/dbraw/zinc/23/12/24/595231224.db2.gz URFKSEKJJRRNPL-QGZVFWFLSA-N 1 2 344.415 1.598 20 30 EDEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844269418 595314452 /nfs/dbraw/zinc/31/44/52/595314452.db2.gz NEWJGTNZROHMSM-AWEZNQCLSA-N 1 2 344.390 1.803 20 30 EDEDLO Cn1ncc2c1nc(C[N@H+](C)C[C@H](O)c1cccc(C#N)c1)[nH]c2=O ZINC000844365536 595330776 /nfs/dbraw/zinc/33/07/76/595330776.db2.gz GSNXSKAFDMLRMC-AWEZNQCLSA-N 1 2 338.371 1.106 20 30 EDEDLO Cn1ncc2c1nc(C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)[nH]c2=O ZINC000844365536 595330778 /nfs/dbraw/zinc/33/07/78/595330778.db2.gz GSNXSKAFDMLRMC-AWEZNQCLSA-N 1 2 338.371 1.106 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(CCO)c2cccc(C(C)C)c2)CC1 ZINC000844371538 595332828 /nfs/dbraw/zinc/33/28/28/595332828.db2.gz NLNNEDQITCMSJD-UHFFFAOYSA-N 1 2 343.471 1.386 20 30 EDEDLO C[N@@H+](Cc1nnnn1CC(F)(F)F)C[C@H](O)c1cccc(C#N)c1 ZINC000844370561 595332834 /nfs/dbraw/zinc/33/28/34/595332834.db2.gz IQISVQLZTFOWRC-LBPRGKRZSA-N 1 2 340.309 1.272 20 30 EDEDLO C[N@H+](Cc1nnnn1CC(F)(F)F)C[C@H](O)c1cccc(C#N)c1 ZINC000844370561 595332837 /nfs/dbraw/zinc/33/28/37/595332837.db2.gz IQISVQLZTFOWRC-LBPRGKRZSA-N 1 2 340.309 1.272 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000844530003 595355892 /nfs/dbraw/zinc/35/58/92/595355892.db2.gz ZMHHPBBCOWVVDS-GOEBONIOSA-N 1 2 336.342 1.418 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000847281999 595387000 /nfs/dbraw/zinc/38/70/00/595387000.db2.gz OXEMHWMYWLGFDJ-OAHLLOKOSA-N 1 2 328.416 1.473 20 30 EDEDLO CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCn2cc[nH+]c2)CC1 ZINC000847340287 595399566 /nfs/dbraw/zinc/39/95/66/595399566.db2.gz GMWNMAHNUNQGOO-UHFFFAOYSA-N 1 2 346.431 1.650 20 30 EDEDLO C/C(=C\c1cccnc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000847412138 595414215 /nfs/dbraw/zinc/41/42/15/595414215.db2.gz UQVNKZLMPHARDW-JQIJEIRASA-N 1 2 328.416 1.559 20 30 EDEDLO COC(=O)[C@H](NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000848666182 595424954 /nfs/dbraw/zinc/42/49/54/595424954.db2.gz YUTKXQOFYDEVHK-ZXFNITATSA-N 1 2 345.443 1.860 20 30 EDEDLO COC(=O)[C@H](NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000848666182 595424955 /nfs/dbraw/zinc/42/49/55/595424955.db2.gz YUTKXQOFYDEVHK-ZXFNITATSA-N 1 2 345.443 1.860 20 30 EDEDLO COC(=O)CCCc1nc(CO[NH+]=C(N)Cc2ccccc2)no1 ZINC000111176810 595711596 /nfs/dbraw/zinc/71/15/96/595711596.db2.gz KJARNPHJBPQDFD-UHFFFAOYSA-N 1 2 332.360 1.597 20 30 EDEDLO CC(C)(C)NS(=O)(=O)C1(CN=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000853324472 595735213 /nfs/dbraw/zinc/73/52/13/595735213.db2.gz HOYXXWJVFNVOAL-RYUDHWBXSA-N 1 2 341.481 1.083 20 30 EDEDLO C#CCCN(CCOC)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000853324804 595735839 /nfs/dbraw/zinc/73/58/39/595735839.db2.gz NYFPTXJBGBAZNT-UHFFFAOYSA-N 1 2 346.431 1.100 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000858389352 595782314 /nfs/dbraw/zinc/78/23/14/595782314.db2.gz FWQASAMLGLFMAV-IRXDYDNUSA-N 1 2 330.432 1.384 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000858389352 595782315 /nfs/dbraw/zinc/78/23/15/595782315.db2.gz FWQASAMLGLFMAV-IRXDYDNUSA-N 1 2 330.432 1.384 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O ZINC000853620742 595835405 /nfs/dbraw/zinc/83/54/05/595835405.db2.gz CBUHYPVAVFJARI-AWEZNQCLSA-N 1 2 339.436 1.041 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O ZINC000853620742 595835407 /nfs/dbraw/zinc/83/54/07/595835407.db2.gz CBUHYPVAVFJARI-AWEZNQCLSA-N 1 2 339.436 1.041 20 30 EDEDLO C#CCOCC[NH+]1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000851713835 595894112 /nfs/dbraw/zinc/89/41/12/595894112.db2.gz BGOXXYFDQPGKOI-UHFFFAOYSA-N 1 2 336.457 1.260 20 30 EDEDLO C#CCCOC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000858918042 595922041 /nfs/dbraw/zinc/92/20/41/595922041.db2.gz MATZQLYXQFQLAY-UHFFFAOYSA-N 1 2 332.400 1.647 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852324121 596125922 /nfs/dbraw/zinc/12/59/22/596125922.db2.gz HIZLJUOSYZTJRG-MOPGFXCFSA-N 1 2 341.455 1.737 20 30 EDEDLO C#CCN(CC(=O)N[C@H](C)c1[nH+]ccn1CC)C(=O)OC(C)(C)C ZINC000854845439 596212744 /nfs/dbraw/zinc/21/27/44/596212744.db2.gz OAEBQDXEKGPFCO-CYBMUJFWSA-N 1 2 334.420 1.951 20 30 EDEDLO CCCCCCNC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000123272176 596321911 /nfs/dbraw/zinc/32/19/11/596321911.db2.gz JZVBEDFFCVPBIY-KGLIPLIRSA-N 1 2 325.478 1.829 20 30 EDEDLO CCCCCCNC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000123272176 596321914 /nfs/dbraw/zinc/32/19/14/596321914.db2.gz JZVBEDFFCVPBIY-KGLIPLIRSA-N 1 2 325.478 1.829 20 30 EDEDLO CC(=NN[C@@H]1CCCS(=O)(=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000863128070 596504721 /nfs/dbraw/zinc/50/47/21/596504721.db2.gz FLDGORVRHPSHNV-OAHLLOKOSA-N 1 2 332.429 1.763 20 30 EDEDLO CN(C)c1cc(F)c(C=[NH+]N[C@@H]2CCCS(=O)(=O)C2)cc1F ZINC000863134395 596507566 /nfs/dbraw/zinc/50/75/66/596507566.db2.gz PDYAAVLYLXLELA-LLVKDONJSA-N 1 2 331.388 1.532 20 30 EDEDLO COc1ccc(C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)cc1C#N ZINC000865505098 596592613 /nfs/dbraw/zinc/59/26/13/596592613.db2.gz BOIWETCLBXGBHU-INIZCTEOSA-N 1 2 327.388 1.627 20 30 EDEDLO N#CCC(=O)N1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000864049063 596743525 /nfs/dbraw/zinc/74/35/25/596743525.db2.gz FOKOPIGJWIIFRW-UHFFFAOYSA-N 1 2 327.363 1.774 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)/C=C/C[NH+]3CCOCC3)CC2)cc1 ZINC000870093844 596747681 /nfs/dbraw/zinc/74/76/81/596747681.db2.gz RYEAWRUCRGLIOS-OWOJBTEDSA-N 1 2 340.427 1.095 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC000866028563 596764513 /nfs/dbraw/zinc/76/45/13/596764513.db2.gz DUYAKIKVXVGMSK-STQMWFEESA-N 1 2 333.388 1.352 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(Cl)cc2OCC)CC1 ZINC000123899451 596770023 /nfs/dbraw/zinc/77/00/23/596770023.db2.gz JKGIQDZPYGPBEV-UHFFFAOYSA-N 1 2 335.835 1.928 20 30 EDEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)cc1 ZINC000866145430 596803851 /nfs/dbraw/zinc/80/38/51/596803851.db2.gz MIXSIGQGSOWTSI-KRWDZBQOSA-N 1 2 338.411 1.826 20 30 EDEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)C2)cc1 ZINC000866145430 596803854 /nfs/dbraw/zinc/80/38/54/596803854.db2.gz MIXSIGQGSOWTSI-KRWDZBQOSA-N 1 2 338.411 1.826 20 30 EDEDLO Cc1cc(NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cc(C#N)n1 ZINC000866169102 596815547 /nfs/dbraw/zinc/81/55/47/596815547.db2.gz ANEVVDQYXCDXBB-UHFFFAOYSA-N 1 2 330.432 1.902 20 30 EDEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3c(C#N)cnn3C)C2)cc1 ZINC000866191275 596822978 /nfs/dbraw/zinc/82/29/78/596822978.db2.gz ZCOOCZNGMXEQOI-KRWDZBQOSA-N 1 2 325.416 1.913 20 30 EDEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNc3c(C#N)cnn3C)C2)cc1 ZINC000866191275 596822981 /nfs/dbraw/zinc/82/29/81/596822981.db2.gz ZCOOCZNGMXEQOI-KRWDZBQOSA-N 1 2 325.416 1.913 20 30 EDEDLO Oc1ccc(/C=N\C[C@H]2C[N@H+](Cc3ccncc3)CCO2)c(O)c1O ZINC000864346118 596861980 /nfs/dbraw/zinc/86/19/80/596861980.db2.gz NZBWSZBPPGMOCP-CIYLQVQQSA-N 1 2 343.383 1.518 20 30 EDEDLO Oc1ccc(/C=N\C[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c(O)c1O ZINC000864346118 596861983 /nfs/dbraw/zinc/86/19/83/596861983.db2.gz NZBWSZBPPGMOCP-CIYLQVQQSA-N 1 2 343.383 1.518 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000872456334 596916714 /nfs/dbraw/zinc/91/67/14/596916714.db2.gz FXZYFNVRXAKHGP-INIZCTEOSA-N 1 2 349.456 1.352 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000874705658 597149398 /nfs/dbraw/zinc/14/93/98/597149398.db2.gz GOQZVFDENOKYBJ-MSOLQXFVSA-N 1 2 340.427 1.468 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000874705658 597149400 /nfs/dbraw/zinc/14/94/00/597149400.db2.gz GOQZVFDENOKYBJ-MSOLQXFVSA-N 1 2 340.427 1.468 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000876282458 597160822 /nfs/dbraw/zinc/16/08/22/597160822.db2.gz RPOWRYZYHDCFGM-QGZVFWFLSA-N 1 2 342.443 1.435 20 30 EDEDLO C=CC(C)(C)CCCNC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000875058311 597265053 /nfs/dbraw/zinc/26/50/53/597265053.db2.gz KNTZXNWVGHAROD-UHFFFAOYSA-N 1 2 332.448 1.872 20 30 EDEDLO CO[C@H]1C[C@H]2CN(C(=O)NCC3(C#N)CC3)Cc3ccc[nH+]c3N2C1 ZINC000875552163 597475452 /nfs/dbraw/zinc/47/54/52/597475452.db2.gz FWIHOPKOYPVNHP-GJZGRUSLSA-N 1 2 341.415 1.504 20 30 EDEDLO C#C[C@@H]1COCCN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000877585126 597538717 /nfs/dbraw/zinc/53/87/17/597538717.db2.gz AEZVGOMNGQKHCG-GOSISDBHSA-N 1 2 330.428 1.232 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)CC3(O)CCCC3)CCO2)c1 ZINC000878323131 597595372 /nfs/dbraw/zinc/59/53/72/597595372.db2.gz WHQUJUPAXGOULY-MSOLQXFVSA-N 1 2 330.428 1.988 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)CC3(O)CCCC3)CCO2)c1 ZINC000878323131 597595373 /nfs/dbraw/zinc/59/53/73/597595373.db2.gz WHQUJUPAXGOULY-MSOLQXFVSA-N 1 2 330.428 1.988 20 30 EDEDLO Cc1cccn2cc(CC(=O)N3C[C@@H](C)N(CC#N)[C@H](C)C3)[nH+]c12 ZINC000880458092 597938317 /nfs/dbraw/zinc/93/83/17/597938317.db2.gz DIZVGUDNDSLFJN-HUUCEWRRSA-N 1 2 325.416 1.630 20 30 EDEDLO C#CCC1(O)CC[NH+](CC(=O)c2c(C)[nH]c(C(=O)OCC)c2C)CC1 ZINC000880482143 597942655 /nfs/dbraw/zinc/94/26/55/597942655.db2.gz YUZWAOQKCUNMJR-UHFFFAOYSA-N 1 2 346.427 1.841 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)Cc1ccc2c(c1)OCO2 ZINC000884058849 597982141 /nfs/dbraw/zinc/98/21/41/597982141.db2.gz XBSSYFUXDXWKNZ-ZDUSSCGKSA-N 1 2 334.372 1.210 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000884170941 598013537 /nfs/dbraw/zinc/01/35/37/598013537.db2.gz JQTUXPJQTXAUGZ-GMIGKAJZSA-N 1 2 332.400 1.502 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)C1 ZINC000884191618 598021440 /nfs/dbraw/zinc/02/14/40/598021440.db2.gz IUDOICGEHHVXAW-RADUAFRDSA-N 1 2 339.505 1.463 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)C1 ZINC000884191618 598021443 /nfs/dbraw/zinc/02/14/43/598021443.db2.gz IUDOICGEHHVXAW-RADUAFRDSA-N 1 2 339.505 1.463 20 30 EDEDLO CN(CCC#N)S(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882837547 598074470 /nfs/dbraw/zinc/07/44/70/598074470.db2.gz JZTKVXIWVMONCX-HNNXBMFYSA-N 1 2 333.417 1.304 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000884421960 598100534 /nfs/dbraw/zinc/10/05/34/598100534.db2.gz ISELSVPKLNPZTJ-DOMZBBRYSA-N 1 2 332.400 1.635 20 30 EDEDLO CN(C)c1cc(Cn2cc(CN(C)c3cnc(C#N)cn3)nn2)cc[nH+]1 ZINC000881366058 598134382 /nfs/dbraw/zinc/13/43/82/598134382.db2.gz UREDNSIUPAIRJP-UHFFFAOYSA-N 1 2 349.402 1.085 20 30 EDEDLO CCn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000993209166 695806104 /nfs/dbraw/zinc/80/61/04/695806104.db2.gz YQZCNQFSNSPODN-MLGOLLRUSA-N 1 2 341.419 1.281 20 30 EDEDLO CCn1nncc1C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000993209166 695806108 /nfs/dbraw/zinc/80/61/08/695806108.db2.gz YQZCNQFSNSPODN-MLGOLLRUSA-N 1 2 341.419 1.281 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)CC1 ZINC000939916006 700036085 /nfs/dbraw/zinc/03/60/85/700036085.db2.gz DIQIZTAMJJYDOK-UKRRQHHQSA-N 1 2 330.432 1.662 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3cccc4c3CCOC4)C2)cn1 ZINC001031279452 696110916 /nfs/dbraw/zinc/11/09/16/696110916.db2.gz DXBJMJKAWHWYMY-UHFFFAOYSA-N 1 2 347.418 1.750 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)[C@@H]2C)cc1 ZINC000993665396 696295751 /nfs/dbraw/zinc/29/57/51/696295751.db2.gz GQZFWTYNJKTJDK-KDOFPFPSSA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)[C@@H]2C)cc1 ZINC000993665396 696295753 /nfs/dbraw/zinc/29/57/53/696295753.db2.gz GQZFWTYNJKTJDK-KDOFPFPSSA-N 1 2 337.427 1.579 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CCS(C)(=O)=O)[C@H]2C)CC1 ZINC000993741022 696342542 /nfs/dbraw/zinc/34/25/42/696342542.db2.gz JMJHPSBDSRAWNI-GOEBONIOSA-N 1 2 342.505 1.747 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCS(C)(=O)=O)[C@H]2C)CC1 ZINC000993741022 696342544 /nfs/dbraw/zinc/34/25/44/696342544.db2.gz JMJHPSBDSRAWNI-GOEBONIOSA-N 1 2 342.505 1.747 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](CCc2cnn(CC)c2)C1 ZINC001031314392 696654495 /nfs/dbraw/zinc/65/44/95/696654495.db2.gz SEMNYFGAIJCYBT-UHFFFAOYSA-N 1 2 336.439 1.470 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@@H]1C ZINC000994467340 696903465 /nfs/dbraw/zinc/90/34/65/696903465.db2.gz VCVAUGKIVSQSSE-WCQYABFASA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccnc2C(N)=O)[C@@H]1C ZINC000994467340 696903468 /nfs/dbraw/zinc/90/34/68/696903468.db2.gz VCVAUGKIVSQSSE-WCQYABFASA-N 1 2 336.823 1.516 20 30 EDEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)cn1 ZINC001031539782 697224924 /nfs/dbraw/zinc/22/49/24/697224924.db2.gz SEMWNUSEVVXEEJ-UHFFFAOYSA-N 1 2 327.363 1.293 20 30 EDEDLO Cc1nnsc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031543040 697229025 /nfs/dbraw/zinc/22/90/25/697229025.db2.gz HOVXAHUFMNCSRZ-UHFFFAOYSA-N 1 2 327.413 1.580 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)[nH]n1 ZINC001031562111 697252772 /nfs/dbraw/zinc/25/27/72/697252772.db2.gz IBNYUDPMRITUBM-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cnsn3)C2)c(F)c1 ZINC001031562451 697253159 /nfs/dbraw/zinc/25/31/59/697253159.db2.gz IRMYKUUDTPWAMG-UHFFFAOYSA-N 1 2 331.376 1.411 20 30 EDEDLO Cc1ocnc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031568221 697259261 /nfs/dbraw/zinc/25/92/61/697259261.db2.gz UMCBZLVCGLOIID-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO Cn1nncc1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001031644682 697398214 /nfs/dbraw/zinc/39/82/14/697398214.db2.gz JXALZROZDXAVBQ-UHFFFAOYSA-N 1 2 343.818 1.182 20 30 EDEDLO C[C@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CCO1 ZINC001032076422 698195129 /nfs/dbraw/zinc/19/51/29/698195129.db2.gz DAIQIDVZBKRBHG-HOCLYGCPSA-N 1 2 327.428 1.921 20 30 EDEDLO Cc1[nH]c(=O)[nH]c1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031750457 698948074 /nfs/dbraw/zinc/94/80/74/698948074.db2.gz ODWWNHTWPSDXKX-UHFFFAOYSA-N 1 2 325.372 1.157 20 30 EDEDLO C=C1CC(C)(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000941481550 701553555 /nfs/dbraw/zinc/55/35/55/701553555.db2.gz METBTRUGIFSICL-HUUCEWRRSA-N 1 2 342.443 1.930 20 30 EDEDLO C=C1CC(C)(C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000941481550 701553556 /nfs/dbraw/zinc/55/35/56/701553556.db2.gz METBTRUGIFSICL-HUUCEWRRSA-N 1 2 342.443 1.930 20 30 EDEDLO C=CCOc1cccnc1C(=O)NCC1C[NH+](Cc2cnc(C)o2)C1 ZINC001032115299 698970698 /nfs/dbraw/zinc/97/06/98/698970698.db2.gz VEULSOZCYIDZDX-UHFFFAOYSA-N 1 2 342.399 1.805 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(OC)cs3)CC2)C1 ZINC000941513762 701566487 /nfs/dbraw/zinc/56/64/87/701566487.db2.gz RNDRTKWBCQQNLK-UHFFFAOYSA-N 1 2 333.457 1.222 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(COC)no3)C2)C1 ZINC000939102767 699165563 /nfs/dbraw/zinc/16/55/63/699165563.db2.gz LGMJQJPYVDSCJC-CHWSQXEVSA-N 1 2 334.420 1.509 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nc(CCOC)no3)C2)C1 ZINC000939103440 699166318 /nfs/dbraw/zinc/16/63/18/699166318.db2.gz SIUCNOJLZXIBFZ-KGLIPLIRSA-N 1 2 348.447 1.551 20 30 EDEDLO C=CCOc1ccccc1C(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001031778624 699178322 /nfs/dbraw/zinc/17/83/22/699178322.db2.gz SEGHVPVTBIUPMN-UHFFFAOYSA-N 1 2 340.427 1.847 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CO[C@H]3CCCC[C@H]3C)CC2)C1 ZINC000941590399 701585521 /nfs/dbraw/zinc/58/55/21/701585521.db2.gz OBKSLODVWXIBNN-AEFFLSMTSA-N 1 2 333.476 1.043 20 30 EDEDLO Cc1nnccc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031816636 699517354 /nfs/dbraw/zinc/51/73/54/699517354.db2.gz HVXUWKHPFYBOKR-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO C=CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939515365 699657815 /nfs/dbraw/zinc/65/78/15/699657815.db2.gz MOURTXBMMUMCPB-ZIAGYGMSSA-N 1 2 341.415 1.217 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3OCc4ccccc43)CC2)C1 ZINC000941655285 701606202 /nfs/dbraw/zinc/60/62/02/701606202.db2.gz UFCFQZAGQJCZDN-IBGZPJMESA-N 1 2 339.439 1.110 20 30 EDEDLO Cn1nc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)cc1Cl ZINC001031833281 699752376 /nfs/dbraw/zinc/75/23/76/699752376.db2.gz JNAYWRXNAMVXOX-UHFFFAOYSA-N 1 2 342.830 1.787 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[C@@H]3OC)CC2)C1 ZINC000941681717 701626078 /nfs/dbraw/zinc/62/60/78/701626078.db2.gz XFXQZVDXBCRRCL-ROUUACIJSA-N 1 2 333.476 1.043 20 30 EDEDLO CSCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001032267533 700515880 /nfs/dbraw/zinc/51/58/80/700515880.db2.gz PRMDHLKYOZNXPT-GJZGRUSLSA-N 1 2 331.441 1.737 20 30 EDEDLO CSCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001032267533 700515881 /nfs/dbraw/zinc/51/58/81/700515881.db2.gz PRMDHLKYOZNXPT-GJZGRUSLSA-N 1 2 331.441 1.737 20 30 EDEDLO Cc1n[nH]cc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031888927 700646615 /nfs/dbraw/zinc/64/66/15/700646615.db2.gz PKINQHJYXVJMTH-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO Cc1n[nH]cc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031888905 700646719 /nfs/dbraw/zinc/64/67/19/700646719.db2.gz PARQMHULZJJMST-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccon2)CC1(C)C ZINC000941038129 701060738 /nfs/dbraw/zinc/06/07/38/701060738.db2.gz BMPPJVGOKOKVBN-OWCLPIDISA-N 1 2 333.432 1.982 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC000941038129 701060739 /nfs/dbraw/zinc/06/07/39/701060739.db2.gz BMPPJVGOKOKVBN-OWCLPIDISA-N 1 2 333.432 1.982 20 30 EDEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000941111190 701156729 /nfs/dbraw/zinc/15/67/29/701156729.db2.gz QDJYGTHKQVBQJS-INIZCTEOSA-N 1 2 337.427 1.687 20 30 EDEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000941111190 701156730 /nfs/dbraw/zinc/15/67/30/701156730.db2.gz QDJYGTHKQVBQJS-INIZCTEOSA-N 1 2 337.427 1.687 20 30 EDEDLO CC1(C)C[N@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)c1nc[nH]n1 ZINC000941111190 701156732 /nfs/dbraw/zinc/15/67/32/701156732.db2.gz QDJYGTHKQVBQJS-INIZCTEOSA-N 1 2 337.427 1.687 20 30 EDEDLO CC1(C)C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)c1nc[nH]n1 ZINC000941111190 701156733 /nfs/dbraw/zinc/15/67/33/701156733.db2.gz QDJYGTHKQVBQJS-INIZCTEOSA-N 1 2 337.427 1.687 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000946002206 701354274 /nfs/dbraw/zinc/35/42/74/701354274.db2.gz QXLTXDBSXYMDEH-UONOGXRCSA-N 1 2 330.432 1.614 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000941272055 701445305 /nfs/dbraw/zinc/44/53/05/701445305.db2.gz UUYRSENLUJEYQD-CQSZACIVSA-N 1 2 332.448 1.856 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000941272500 701445696 /nfs/dbraw/zinc/44/56/96/701445696.db2.gz WSJDWKJARQETBE-DNVCBOLYSA-N 1 2 345.443 1.952 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CO[C@H]3CCCC[C@@H]3CC)CC2)C1 ZINC000941400961 701516983 /nfs/dbraw/zinc/51/69/83/701516983.db2.gz LFHMJQIHYYHTIY-HKUYNNGSSA-N 1 2 347.503 1.433 20 30 EDEDLO COc1ncccc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031948664 701518558 /nfs/dbraw/zinc/51/85/58/701518558.db2.gz KCOZCOYEKOKFSY-UHFFFAOYSA-N 1 2 335.407 1.804 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C(C)(C)C)cn3)CC2)C1 ZINC000941410646 701526874 /nfs/dbraw/zinc/52/68/74/701526874.db2.gz KTPMHHIKMROQJZ-UHFFFAOYSA-N 1 2 340.471 1.454 20 30 EDEDLO C=C(C)CC[NH+]1CC(N2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000941417053 701530675 /nfs/dbraw/zinc/53/06/75/701530675.db2.gz UUSQRPGJGSVODJ-CYBMUJFWSA-N 1 2 337.361 1.681 20 30 EDEDLO C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC000941417053 701530676 /nfs/dbraw/zinc/53/06/76/701530676.db2.gz UUSQRPGJGSVODJ-CYBMUJFWSA-N 1 2 337.361 1.681 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC(F)(F)C3)CC2)C1 ZINC000941430694 701537719 /nfs/dbraw/zinc/53/77/19/701537719.db2.gz BDPVGVSAPGZUJU-OAHLLOKOSA-N 1 2 339.430 1.664 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC000944392038 701875620 /nfs/dbraw/zinc/87/56/20/701875620.db2.gz AHMIWXGPDNDBSX-CQSZACIVSA-N 1 2 343.431 1.343 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC000944392038 701875627 /nfs/dbraw/zinc/87/56/27/701875627.db2.gz AHMIWXGPDNDBSX-CQSZACIVSA-N 1 2 343.431 1.343 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccnc(Cl)c3)C2)cn1 ZINC001032137790 701904317 /nfs/dbraw/zinc/90/43/17/701904317.db2.gz ZDMWGBAHJBREOA-UHFFFAOYSA-N 1 2 340.814 1.973 20 30 EDEDLO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(S(C)(=O)=O)o1 ZINC001032659921 706627960 /nfs/dbraw/zinc/62/79/60/706627960.db2.gz RZGISGNEAIMMPA-STQMWFEESA-N 1 2 338.429 1.548 20 30 EDEDLO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(S(C)(=O)=O)o1 ZINC001032659921 706627963 /nfs/dbraw/zinc/62/79/63/706627963.db2.gz RZGISGNEAIMMPA-STQMWFEESA-N 1 2 338.429 1.548 20 30 EDEDLO O=C(C#CC1CC1)N1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC000944428848 701956107 /nfs/dbraw/zinc/95/61/07/701956107.db2.gz SSWGYYDMEOMMCB-UHFFFAOYSA-N 1 2 340.427 1.207 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001032178293 702101597 /nfs/dbraw/zinc/10/15/97/702101597.db2.gz CEVSHQZNSRSZNO-CQSZACIVSA-N 1 2 339.867 1.578 20 30 EDEDLO CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)o1 ZINC000941931532 702162255 /nfs/dbraw/zinc/16/22/55/702162255.db2.gz ZLYCDFNMTFMBMP-DGCLKSJQSA-N 1 2 342.403 1.472 20 30 EDEDLO CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)o1 ZINC000941931532 702162257 /nfs/dbraw/zinc/16/22/57/702162257.db2.gz ZLYCDFNMTFMBMP-DGCLKSJQSA-N 1 2 342.403 1.472 20 30 EDEDLO CCn1ncnc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1 ZINC000941968835 702230379 /nfs/dbraw/zinc/23/03/79/702230379.db2.gz YJCYGOLTGRCIAZ-TZMCWYRMSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncnc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1 ZINC000941968835 702230383 /nfs/dbraw/zinc/23/03/83/702230383.db2.gz YJCYGOLTGRCIAZ-TZMCWYRMSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1cc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)nn1 ZINC000941963116 702249277 /nfs/dbraw/zinc/24/92/77/702249277.db2.gz JPRYTQFOPZWARI-LRDDRELGSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1cc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)nn1 ZINC000941963116 702249283 /nfs/dbraw/zinc/24/92/83/702249283.db2.gz JPRYTQFOPZWARI-LRDDRELGSA-N 1 2 341.419 1.138 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cccc1NC(C)=O ZINC001032664510 706657520 /nfs/dbraw/zinc/65/75/20/706657520.db2.gz FQGNBQZWSMACBL-KBPBESRZSA-N 1 2 329.375 1.706 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cccc1NC(C)=O ZINC001032664510 706657521 /nfs/dbraw/zinc/65/75/21/706657521.db2.gz FQGNBQZWSMACBL-KBPBESRZSA-N 1 2 329.375 1.706 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)c(F)c1 ZINC001031992281 702538407 /nfs/dbraw/zinc/53/84/07/702538407.db2.gz SPJYQONFFWIRAS-NUJGCVRESA-N 1 2 343.402 1.813 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncnn3C)C[C@H]2C)cc1 ZINC000942553933 703066344 /nfs/dbraw/zinc/06/63/44/703066344.db2.gz WBOVHHVDQKIJNL-PBHICJAKSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncnn3C)C[C@H]2C)cc1 ZINC000942553933 703066347 /nfs/dbraw/zinc/06/63/47/703066347.db2.gz WBOVHHVDQKIJNL-PBHICJAKSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)C[C@H]2C)c1 ZINC000942619177 703148721 /nfs/dbraw/zinc/14/87/21/703148721.db2.gz ZRXOYMGMMWJVEU-RHSMWYFYSA-N 1 2 335.411 1.493 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)C[C@H]2C)c1 ZINC000942619177 703148724 /nfs/dbraw/zinc/14/87/24/703148724.db2.gz ZRXOYMGMMWJVEU-RHSMWYFYSA-N 1 2 335.411 1.493 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C)no2)C1 ZINC001032040819 703158894 /nfs/dbraw/zinc/15/88/94/703158894.db2.gz VREYQKCQDRLRRN-IRXDYDNUSA-N 1 2 333.432 1.902 20 30 EDEDLO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3ccns3)C2)nn1 ZINC001032042073 703191333 /nfs/dbraw/zinc/19/13/33/703191333.db2.gz MMFWUBSCANNKBT-UHFFFAOYSA-N 1 2 332.433 1.173 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(OC)no2)C1 ZINC001032048265 703310523 /nfs/dbraw/zinc/31/05/23/703310523.db2.gz XINAEJKTKICUMU-HOCLYGCPSA-N 1 2 335.404 1.212 20 30 EDEDLO CCc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)cnn1C ZINC001032496284 703788354 /nfs/dbraw/zinc/78/83/54/703788354.db2.gz UVCFGFFNCZTZKX-IRXDYDNUSA-N 1 2 349.438 1.953 20 30 EDEDLO CCc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)cnn1C ZINC001032496284 703788355 /nfs/dbraw/zinc/78/83/55/703788355.db2.gz UVCFGFFNCZTZKX-IRXDYDNUSA-N 1 2 349.438 1.953 20 30 EDEDLO CC(C)(C)n1nnc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004444685 704427084 /nfs/dbraw/zinc/42/70/84/704427084.db2.gz ZDYGBHILDOWEBN-AWEZNQCLSA-N 1 2 345.451 1.268 20 30 EDEDLO CC(C)(C)n1nnc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004444685 704427087 /nfs/dbraw/zinc/42/70/87/704427087.db2.gz ZDYGBHILDOWEBN-AWEZNQCLSA-N 1 2 345.451 1.268 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3[nH]cnc3c2)CC1 ZINC001004445733 704428502 /nfs/dbraw/zinc/42/85/02/704428502.db2.gz HAZSIEQBJCHAKP-INIZCTEOSA-N 1 2 338.415 1.798 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3[nH]cnc3c2)CC1 ZINC001004445733 704428503 /nfs/dbraw/zinc/42/85/03/704428503.db2.gz HAZSIEQBJCHAKP-INIZCTEOSA-N 1 2 338.415 1.798 20 30 EDEDLO Cc1nc[nH]c1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032229932 704928169 /nfs/dbraw/zinc/92/81/69/704928169.db2.gz RVWOTCXNRHZVNH-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)CCC(=O)N1 ZINC001032609067 705558774 /nfs/dbraw/zinc/55/87/74/705558774.db2.gz IEQJDXZAGDGTHU-BXWFABGCSA-N 1 2 338.411 1.012 20 30 EDEDLO C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)CCC(=O)N1 ZINC001032609067 705558776 /nfs/dbraw/zinc/55/87/76/705558776.db2.gz IEQJDXZAGDGTHU-BXWFABGCSA-N 1 2 338.411 1.012 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccnc(OC)n3)C2)C1 ZINC001033398041 707738665 /nfs/dbraw/zinc/73/86/65/707738665.db2.gz GHPFFCBTNHLPRM-OAHLLOKOSA-N 1 2 330.432 1.874 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccnc(OC)n3)C2)C1 ZINC001033398041 707738669 /nfs/dbraw/zinc/73/86/69/707738669.db2.gz GHPFFCBTNHLPRM-OAHLLOKOSA-N 1 2 330.432 1.874 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(NC(C)=O)c1C ZINC001032732793 707742131 /nfs/dbraw/zinc/74/21/31/707742131.db2.gz REXWRGHZWKPDBL-HOTGVXAUSA-N 1 2 325.412 1.875 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(NC(C)=O)c1C ZINC001032732793 707742133 /nfs/dbraw/zinc/74/21/33/707742133.db2.gz REXWRGHZWKPDBL-HOTGVXAUSA-N 1 2 325.412 1.875 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001033434045 707824359 /nfs/dbraw/zinc/82/43/59/707824359.db2.gz ZTWZWRYBVJZXFG-XHSDSOJGSA-N 1 2 332.448 1.527 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001033434045 707824361 /nfs/dbraw/zinc/82/43/61/707824361.db2.gz ZTWZWRYBVJZXFG-XHSDSOJGSA-N 1 2 332.448 1.527 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnc(C)o1 ZINC001032754077 707828250 /nfs/dbraw/zinc/82/82/50/707828250.db2.gz WMZUTVKFSFOWJW-ROUUACIJSA-N 1 2 335.407 1.992 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnc(C)o1 ZINC001032754077 707828253 /nfs/dbraw/zinc/82/82/53/707828253.db2.gz WMZUTVKFSFOWJW-ROUUACIJSA-N 1 2 335.407 1.992 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](CNC(=O)c3cccc4[nH+]ccn43)C2)nc1 ZINC001061681418 708448831 /nfs/dbraw/zinc/44/88/31/708448831.db2.gz YRMWWHCXYYWYLH-HNNXBMFYSA-N 1 2 346.394 1.857 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC001033683053 708494692 /nfs/dbraw/zinc/49/46/92/708494692.db2.gz SFKFSUDMPSWZBC-CVEARBPZSA-N 1 2 341.883 1.382 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCOCC2)C1 ZINC001033683053 708494695 /nfs/dbraw/zinc/49/46/95/708494695.db2.gz SFKFSUDMPSWZBC-CVEARBPZSA-N 1 2 341.883 1.382 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033712015 708556503 /nfs/dbraw/zinc/55/65/03/708556503.db2.gz WVQGCYIHCFEZBI-AWEZNQCLSA-N 1 2 343.362 1.735 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033712015 708556505 /nfs/dbraw/zinc/55/65/05/708556505.db2.gz WVQGCYIHCFEZBI-AWEZNQCLSA-N 1 2 343.362 1.735 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001033801336 708793803 /nfs/dbraw/zinc/79/38/03/708793803.db2.gz SPJYYKFATDEZPR-ZFWWWQNUSA-N 1 2 338.415 1.974 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001033801336 708793806 /nfs/dbraw/zinc/79/38/06/708793806.db2.gz SPJYYKFATDEZPR-ZFWWWQNUSA-N 1 2 338.415 1.974 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC001061096709 709041691 /nfs/dbraw/zinc/04/16/91/709041691.db2.gz WJLNKNWLTCGWSK-CABCVRRESA-N 1 2 338.415 1.769 20 30 EDEDLO C=CCCCC(=O)N1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001061099935 709067789 /nfs/dbraw/zinc/06/77/89/709067789.db2.gz VOGFUZUNZSNIOE-UHFFFAOYSA-N 1 2 330.432 1.760 20 30 EDEDLO C=CCCCC(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001061109019 709152251 /nfs/dbraw/zinc/15/22/51/709152251.db2.gz DUMMWMJONVNCBH-UHFFFAOYSA-N 1 2 344.459 1.770 20 30 EDEDLO CCc1noc([C@H](C)[NH+]2CCC(NC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001002625862 709199919 /nfs/dbraw/zinc/19/99/19/709199919.db2.gz IBYVVVMNZCACSX-NSHDSACASA-N 1 2 342.403 1.787 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2nn(CC)nc2C)C1 ZINC001034054177 709284053 /nfs/dbraw/zinc/28/40/53/709284053.db2.gz JIGUYCWLSZGECA-ZDUSSCGKSA-N 1 2 325.844 1.895 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nn(CC)nc2C)C1 ZINC001034054177 709284055 /nfs/dbraw/zinc/28/40/55/709284055.db2.gz JIGUYCWLSZGECA-ZDUSSCGKSA-N 1 2 325.844 1.895 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2nn(C)cc2C)CC1 ZINC001002784262 709390544 /nfs/dbraw/zinc/39/05/44/709390544.db2.gz IAQFYMKRNDEPFC-UHFFFAOYSA-N 1 2 341.253 1.831 20 30 EDEDLO Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1C ZINC001034165099 709438377 /nfs/dbraw/zinc/43/83/77/709438377.db2.gz JZUFNQTXVFMDAX-OAHLLOKOSA-N 1 2 340.431 1.713 20 30 EDEDLO Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)nn1C ZINC001034165099 709438378 /nfs/dbraw/zinc/43/83/78/709438378.db2.gz JZUFNQTXVFMDAX-OAHLLOKOSA-N 1 2 340.431 1.713 20 30 EDEDLO Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)no1 ZINC001034171795 709486408 /nfs/dbraw/zinc/48/64/08/709486408.db2.gz ZNAQSJZSCWKEEY-AWEZNQCLSA-N 1 2 327.388 1.967 20 30 EDEDLO Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)no1 ZINC001034171795 709486413 /nfs/dbraw/zinc/48/64/13/709486413.db2.gz ZNAQSJZSCWKEEY-AWEZNQCLSA-N 1 2 327.388 1.967 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001003060407 709900945 /nfs/dbraw/zinc/90/09/45/709900945.db2.gz SITUMYYOSNHELW-AAEUAGOBSA-N 1 2 347.253 1.280 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001061745507 709905497 /nfs/dbraw/zinc/90/54/97/709905497.db2.gz ZRHFCLSYZGVNEW-UKRRQHHQSA-N 1 2 348.447 1.207 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn(C)c2OC)C1 ZINC001034506581 710150516 /nfs/dbraw/zinc/15/05/16/710150516.db2.gz OJGKEZJULTZMOY-GFCCVEGCSA-N 1 2 326.828 1.766 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(C)c2OC)C1 ZINC001034506581 710150518 /nfs/dbraw/zinc/15/05/18/710150518.db2.gz OJGKEZJULTZMOY-GFCCVEGCSA-N 1 2 326.828 1.766 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001003652933 710470158 /nfs/dbraw/zinc/47/01/58/710470158.db2.gz SLRMJZWPUNLSLF-GLQYFDAESA-N 1 2 334.420 1.611 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC001061770888 710608738 /nfs/dbraw/zinc/60/87/38/710608738.db2.gz OZWCHEXSUIJZPJ-DAXOMENPSA-N 1 2 336.399 1.423 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC001061770888 710608740 /nfs/dbraw/zinc/60/87/40/710608740.db2.gz OZWCHEXSUIJZPJ-DAXOMENPSA-N 1 2 336.399 1.423 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3ncccn3)CC2)cn1 ZINC001004002754 711240636 /nfs/dbraw/zinc/24/06/36/711240636.db2.gz WKSFAWATRLMKLS-CQSZACIVSA-N 1 2 335.411 1.808 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3nnc(C)o3)CC2)nc1 ZINC001004005136 711248078 /nfs/dbraw/zinc/24/80/78/711248078.db2.gz TZJUSZYWQOJOJZ-LBPRGKRZSA-N 1 2 339.399 1.710 20 30 EDEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC001033016848 711277162 /nfs/dbraw/zinc/27/71/62/711277162.db2.gz DJPKUTVVTZTADD-HNNXBMFYSA-N 1 2 343.431 1.091 20 30 EDEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC001033016848 711277167 /nfs/dbraw/zinc/27/71/67/711277167.db2.gz DJPKUTVVTZTADD-HNNXBMFYSA-N 1 2 343.431 1.091 20 30 EDEDLO Cc1nc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)no1 ZINC001034896241 711318608 /nfs/dbraw/zinc/31/86/08/711318608.db2.gz XZFHQEOGSQBJGE-ZWNOBZJWSA-N 1 2 328.376 1.533 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001004476504 711856538 /nfs/dbraw/zinc/85/65/38/711856538.db2.gz YHMXJSAEGYVVSX-IAGOWNOFSA-N 1 2 341.459 1.672 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001004476504 711856539 /nfs/dbraw/zinc/85/65/39/711856539.db2.gz YHMXJSAEGYVVSX-IAGOWNOFSA-N 1 2 341.459 1.672 20 30 EDEDLO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1C=C(O)NC1=[NH+]CCS1 ZINC000024802240 282251303 /nfs/dbraw/zinc/25/13/03/282251303.db2.gz UIGQMMXQSIVWSY-UHFFFAOYSA-N 1 2 344.444 1.657 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000328693631 539353176 /nfs/dbraw/zinc/35/31/76/539353176.db2.gz FTQLSYAFWOYJLF-CQSZACIVSA-N 1 2 338.452 1.642 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)N2CCCC2)C1 ZINC000328693631 539353181 /nfs/dbraw/zinc/35/31/81/539353181.db2.gz FTQLSYAFWOYJLF-CQSZACIVSA-N 1 2 338.452 1.642 20 30 EDEDLO CCCC(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000329079262 539403972 /nfs/dbraw/zinc/40/39/72/539403972.db2.gz BYNWNAMMHFUQNI-CHWSQXEVSA-N 1 2 329.466 1.365 20 30 EDEDLO CCCC(=O)N1CSC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000329079262 539403974 /nfs/dbraw/zinc/40/39/74/539403974.db2.gz BYNWNAMMHFUQNI-CHWSQXEVSA-N 1 2 329.466 1.365 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)nc1 ZINC000562369950 306296670 /nfs/dbraw/zinc/29/66/70/306296670.db2.gz CRBZIQSELLOOKU-UHFFFAOYSA-N 1 2 332.411 1.919 20 30 EDEDLO C[C@H](O[NH+]=C(N)c1ccc(N2CCCCC2)nc1)C(=O)NC1CC1 ZINC000113249324 237123407 /nfs/dbraw/zinc/12/34/07/237123407.db2.gz AUICEAVDZBHHSC-LBPRGKRZSA-N 1 2 331.420 1.376 20 30 EDEDLO Cn1cc(N2CC[C@H](O[NH+]=C(N)Cc3ccccc3Cl)C2=O)cn1 ZINC000113249223 237126736 /nfs/dbraw/zinc/12/67/36/237126736.db2.gz VHDCIJKLGLIETP-AWEZNQCLSA-N 1 2 347.806 1.710 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](CC(=O)Nc3cccc(C#N)c3)[C@H]2C1 ZINC000246912414 139126662 /nfs/dbraw/zinc/12/66/62/139126662.db2.gz RRQDMTVFWYZMOK-IKGGRYGDSA-N 1 2 329.400 1.765 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)[C@H]2C1 ZINC000246912414 139126663 /nfs/dbraw/zinc/12/66/63/139126663.db2.gz RRQDMTVFWYZMOK-IKGGRYGDSA-N 1 2 329.400 1.765 20 30 EDEDLO CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)o3)CC2)n1 ZINC000091867703 218081247 /nfs/dbraw/zinc/08/12/47/218081247.db2.gz UZELILUXOFIDMO-CYBMUJFWSA-N 1 2 345.403 1.950 20 30 EDEDLO CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)o3)CC2)n1 ZINC000091867703 218081249 /nfs/dbraw/zinc/08/12/49/218081249.db2.gz UZELILUXOFIDMO-CYBMUJFWSA-N 1 2 345.403 1.950 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000342566699 250007786 /nfs/dbraw/zinc/00/77/86/250007786.db2.gz IUYYEKUTSQPIAR-UHFFFAOYSA-N 1 2 331.416 1.492 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000341857872 250000936 /nfs/dbraw/zinc/00/09/36/250000936.db2.gz DJQXNEKZSJVJBF-KRWDZBQOSA-N 1 2 328.416 1.915 20 30 EDEDLO C=CCOC[C@H]1NC(=O)N(Cc2ccc(N(CC)CC)[nH+]c2)C1=O ZINC000348502828 250056372 /nfs/dbraw/zinc/05/63/72/250056372.db2.gz YDKRWEWCJIJMIW-CQSZACIVSA-N 1 2 332.404 1.551 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N(c2cccc(-c3[nH+]ccn3C)c2)C1=O ZINC000348645870 250057798 /nfs/dbraw/zinc/05/77/98/250057798.db2.gz MYZUCKRKOSOSMR-AWEZNQCLSA-N 1 2 326.356 1.715 20 30 EDEDLO CCOC(=O)[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000346993194 250050775 /nfs/dbraw/zinc/05/07/75/250050775.db2.gz YQNDJSCJUIWHAO-INIZCTEOSA-N 1 2 341.411 1.711 20 30 EDEDLO CCOC(=O)[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000346993194 250050779 /nfs/dbraw/zinc/05/07/79/250050779.db2.gz YQNDJSCJUIWHAO-INIZCTEOSA-N 1 2 341.411 1.711 20 30 EDEDLO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C#N)CC3)C2=O)cc1OC ZINC000352270304 250078473 /nfs/dbraw/zinc/07/84/73/250078473.db2.gz FDXUHWJDRIPNIZ-CQSZACIVSA-N 1 2 343.383 1.571 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000355711845 250120751 /nfs/dbraw/zinc/12/07/51/250120751.db2.gz UQLAQHKTZXJGPV-UGSOOPFHSA-N 1 2 346.431 1.998 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1CCCN(CC#N)C1 ZINC000359407949 250154145 /nfs/dbraw/zinc/15/41/45/250154145.db2.gz JUYUTEFEODSNPS-HNNXBMFYSA-N 1 2 325.416 1.697 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[NH+]2CC(n3cccn3)C2)c(OC)c1 ZINC000360356941 250162427 /nfs/dbraw/zinc/16/24/27/250162427.db2.gz ZBZNMKZNQBWVAP-KRWDZBQOSA-N 1 2 343.427 1.917 20 30 EDEDLO CN(Cc1[nH+]ccn1Cc1ccccc1)S(=O)(=O)CCCC#N ZINC000360789840 250165475 /nfs/dbraw/zinc/16/54/75/250165475.db2.gz XXZYKBORVUWQJU-UHFFFAOYSA-N 1 2 332.429 1.997 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000370357971 250205213 /nfs/dbraw/zinc/20/52/13/250205213.db2.gz FAVLAXRRYFPEMM-JKSUJKDBSA-N 1 2 325.453 1.891 20 30 EDEDLO C#CC[C@H](C)NC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000373430746 250239085 /nfs/dbraw/zinc/23/90/85/250239085.db2.gz MIDGSBDAKXGEKY-KKUMJFAQSA-N 1 2 335.427 1.386 20 30 EDEDLO N#CCC1(CNC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000373719846 250243849 /nfs/dbraw/zinc/24/38/49/250243849.db2.gz MWXXBDLMLBMTFD-INIZCTEOSA-N 1 2 338.477 1.187 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000375958219 250282918 /nfs/dbraw/zinc/28/29/18/250282918.db2.gz BTSXORAGSWCDSL-QZTJIDSGSA-N 1 2 333.407 1.773 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000375958219 250282919 /nfs/dbraw/zinc/28/29/19/250282919.db2.gz BTSXORAGSWCDSL-QZTJIDSGSA-N 1 2 333.407 1.773 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(C)C ZINC000374187468 250255765 /nfs/dbraw/zinc/25/57/65/250255765.db2.gz LUFHGMFCDYRICA-GDBMZVCRSA-N 1 2 325.478 1.151 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000410481707 250323126 /nfs/dbraw/zinc/32/31/26/250323126.db2.gz GKTYWOLTCFQZHJ-INIZCTEOSA-N 1 2 337.464 1.124 20 30 EDEDLO C=CCCn1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)nn1 ZINC000424665545 252260036 /nfs/dbraw/zinc/26/00/36/252260036.db2.gz NXWFWNZSHHEIJM-OAHLLOKOSA-N 1 2 333.436 1.181 20 30 EDEDLO CCN1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1=O ZINC000190216473 285225300 /nfs/dbraw/zinc/22/53/00/285225300.db2.gz YXDQXZKCYSGKPH-INIZCTEOSA-N 1 2 342.443 1.876 20 30 EDEDLO CCN1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1=O ZINC000190216473 285225303 /nfs/dbraw/zinc/22/53/03/285225303.db2.gz YXDQXZKCYSGKPH-INIZCTEOSA-N 1 2 342.443 1.876 20 30 EDEDLO N#Cc1ccc(C(=O)NCC(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000263771910 139359290 /nfs/dbraw/zinc/35/92/90/139359290.db2.gz NIDWSBOAZCZFJC-UHFFFAOYSA-N 1 2 337.383 1.137 20 30 EDEDLO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000352954357 285238320 /nfs/dbraw/zinc/23/83/20/285238320.db2.gz HFLZZLMSTODBBJ-GFCCVEGCSA-N 1 2 334.445 1.937 20 30 EDEDLO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000352954357 285238321 /nfs/dbraw/zinc/23/83/21/285238321.db2.gz HFLZZLMSTODBBJ-GFCCVEGCSA-N 1 2 334.445 1.937 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000489035501 255062488 /nfs/dbraw/zinc/06/24/88/255062488.db2.gz FHSRNZKEOIOWNB-MRXNPFEDSA-N 1 2 333.432 1.237 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccccc2-c2nccs2)CC1 ZINC000490717188 255102472 /nfs/dbraw/zinc/10/24/72/255102472.db2.gz BKEAHGIYJXJNQS-UHFFFAOYSA-N 1 2 341.436 1.966 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(-n3cccn3)ccc2C)CC1 ZINC000490740364 255104505 /nfs/dbraw/zinc/10/45/05/255104505.db2.gz KLBGVRAKNZYXMB-UHFFFAOYSA-N 1 2 337.427 1.370 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000490779202 255107020 /nfs/dbraw/zinc/10/70/20/255107020.db2.gz SKJQYLKSPKSVJI-UHFFFAOYSA-N 1 2 336.779 1.438 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2O[C@@H](C)C#N)CC1 ZINC000490951430 255112113 /nfs/dbraw/zinc/11/21/13/255112113.db2.gz XVRYAEGXTBOZLJ-HNNXBMFYSA-N 1 2 326.400 1.167 20 30 EDEDLO C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)c1 ZINC000490971928 255113660 /nfs/dbraw/zinc/11/36/60/255113660.db2.gz DWSYQYIZFZIIKG-AWEZNQCLSA-N 1 2 346.412 1.202 20 30 EDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000491707190 255144116 /nfs/dbraw/zinc/14/41/16/255144116.db2.gz OJWNSRPXEFXGRF-LBPRGKRZSA-N 1 2 333.344 1.266 20 30 EDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000491707190 255144118 /nfs/dbraw/zinc/14/41/18/255144118.db2.gz OJWNSRPXEFXGRF-LBPRGKRZSA-N 1 2 333.344 1.266 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000495286987 255278432 /nfs/dbraw/zinc/27/84/32/255278432.db2.gz QMCKDASSDCOPIA-CYBMUJFWSA-N 1 2 336.436 1.695 20 30 EDEDLO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@H](O)C(F)(F)F ZINC000494231298 255242872 /nfs/dbraw/zinc/24/28/72/255242872.db2.gz QJLROYMTGKSKAJ-ZDUSSCGKSA-N 1 2 329.322 1.420 20 30 EDEDLO CC[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@H](O)C(F)(F)F ZINC000494231298 255242873 /nfs/dbraw/zinc/24/28/73/255242873.db2.gz QJLROYMTGKSKAJ-ZDUSSCGKSA-N 1 2 329.322 1.420 20 30 EDEDLO CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC#N ZINC000495538534 255296840 /nfs/dbraw/zinc/29/68/40/255296840.db2.gz IXAUMNSYHQVJKY-AWEZNQCLSA-N 1 2 338.452 1.786 20 30 EDEDLO CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCC[N@H+]1CCC#N ZINC000495538534 255296841 /nfs/dbraw/zinc/29/68/41/255296841.db2.gz IXAUMNSYHQVJKY-AWEZNQCLSA-N 1 2 338.452 1.786 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1CCOC ZINC000117371896 221059026 /nfs/dbraw/zinc/05/90/26/221059026.db2.gz MWESSTYICZBJIK-OAHLLOKOSA-N 1 2 337.445 1.290 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1CCOC ZINC000117371896 221059028 /nfs/dbraw/zinc/05/90/28/221059028.db2.gz MWESSTYICZBJIK-OAHLLOKOSA-N 1 2 337.445 1.290 20 30 EDEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000118393351 221146223 /nfs/dbraw/zinc/14/62/23/221146223.db2.gz YUDRHDMYHCWWRA-CYBMUJFWSA-N 1 2 326.400 1.042 20 30 EDEDLO Cn1ccnc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000264085912 139379920 /nfs/dbraw/zinc/37/99/20/139379920.db2.gz DEEFWESUXQEVIG-UHFFFAOYSA-N 1 2 338.415 1.319 20 30 EDEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000331488176 141037820 /nfs/dbraw/zinc/03/78/20/141037820.db2.gz UWEBGZIMFCDSDF-RDJZCZTQSA-N 1 2 331.391 1.909 20 30 EDEDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000331488176 141037822 /nfs/dbraw/zinc/03/78/22/141037822.db2.gz UWEBGZIMFCDSDF-RDJZCZTQSA-N 1 2 331.391 1.909 20 30 EDEDLO N#Cc1ccncc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000345435463 143090838 /nfs/dbraw/zinc/09/08/38/143090838.db2.gz QKOIMKPDHPEVPJ-MOPGFXCFSA-N 1 2 348.406 1.679 20 30 EDEDLO N#Cc1ccncc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000345435463 143090839 /nfs/dbraw/zinc/09/08/39/143090839.db2.gz QKOIMKPDHPEVPJ-MOPGFXCFSA-N 1 2 348.406 1.679 20 30 EDEDLO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000346263433 143184889 /nfs/dbraw/zinc/18/48/89/143184889.db2.gz XLSSAQIQXFVWSH-OAHLLOKOSA-N 1 2 342.443 1.222 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CCOc2ccccc2C#N)CC1 ZINC000346263433 143184890 /nfs/dbraw/zinc/18/48/90/143184890.db2.gz XLSSAQIQXFVWSH-OAHLLOKOSA-N 1 2 342.443 1.222 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1C ZINC000346610876 143222061 /nfs/dbraw/zinc/22/20/61/143222061.db2.gz DWHSCZIXAQGAGK-SWLSCSKDSA-N 1 2 336.413 1.215 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]1C ZINC000346610876 143222062 /nfs/dbraw/zinc/22/20/62/143222062.db2.gz DWHSCZIXAQGAGK-SWLSCSKDSA-N 1 2 336.413 1.215 20 30 EDEDLO N#Cc1cc(Br)ccc1C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347290133 143304448 /nfs/dbraw/zinc/30/44/48/143304448.db2.gz MADPJKGQCOSLEM-KBPBESRZSA-N 1 2 325.206 1.638 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNC(=O)[C@H](C)Oc2ccccc2C#N)CCO1 ZINC000347643847 143344731 /nfs/dbraw/zinc/34/47/31/143344731.db2.gz XIZXEUBKHHCBGU-GOEBONIOSA-N 1 2 331.416 1.553 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@H](C)Oc2ccccc2C#N)CCO1 ZINC000347643847 143344732 /nfs/dbraw/zinc/34/47/32/143344732.db2.gz XIZXEUBKHHCBGU-GOEBONIOSA-N 1 2 331.416 1.553 20 30 EDEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000350835674 143555402 /nfs/dbraw/zinc/55/54/02/143555402.db2.gz SLCVVIUTPTXQQG-QWRGUYRKSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000350835674 143555403 /nfs/dbraw/zinc/55/54/03/143555403.db2.gz SLCVVIUTPTXQQG-QWRGUYRKSA-N 1 2 327.837 1.925 20 30 EDEDLO CC[C@H](C(=O)OC)N1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000352692779 149118426 /nfs/dbraw/zinc/11/84/26/149118426.db2.gz GTOCUWGCEGDHAN-MRXNPFEDSA-N 1 2 331.416 1.636 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)Cc2c(F)cccc2C#N)CCN1C ZINC000354947979 150050062 /nfs/dbraw/zinc/05/00/62/150050062.db2.gz HPEIIWAXZAZEHY-MRXNPFEDSA-N 1 2 341.390 1.489 20 30 EDEDLO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355104365 150118645 /nfs/dbraw/zinc/11/86/45/150118645.db2.gz MESHOURDCZGLJL-MRXNPFEDSA-N 1 2 349.438 1.780 20 30 EDEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355106749 150119637 /nfs/dbraw/zinc/11/96/37/150119637.db2.gz YDTRWYWCALJPME-HZPDHXFCSA-N 1 2 341.459 1.865 20 30 EDEDLO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1(C(N)=O)CCCC1 ZINC000357391384 151016319 /nfs/dbraw/zinc/01/63/19/151016319.db2.gz OXJAOLXNSMDAMI-UHFFFAOYSA-N 1 2 325.372 1.838 20 30 EDEDLO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1(C(N)=O)CCCC1 ZINC000357391384 151016320 /nfs/dbraw/zinc/01/63/20/151016320.db2.gz OXJAOLXNSMDAMI-UHFFFAOYSA-N 1 2 325.372 1.838 20 30 EDEDLO N#Cc1cc(F)ccc1CS(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000357548888 151064243 /nfs/dbraw/zinc/06/42/43/151064243.db2.gz NYINRKVEABGZMN-UHFFFAOYSA-N 1 2 344.371 1.965 20 30 EDEDLO N#Cc1cnn(-c2ccc(C(=O)N3CCn4cc[nH+]c4C3)cc2)c1N ZINC000358155446 151290880 /nfs/dbraw/zinc/29/08/80/151290880.db2.gz KVUDRWHZKDQQQL-UHFFFAOYSA-N 1 2 333.355 1.179 20 30 EDEDLO Cn1c[nH+]c2c1CCN(S(=O)(=O)c1ccc(C#N)c(Cl)c1)C2 ZINC000364402054 153228189 /nfs/dbraw/zinc/22/81/89/153228189.db2.gz IRCHSMPVVHBAGN-UHFFFAOYSA-N 1 2 336.804 1.692 20 30 EDEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000367293922 154069754 /nfs/dbraw/zinc/06/97/54/154069754.db2.gz GSBJEYKPCWELHI-GDBMZVCRSA-N 1 2 348.472 1.286 20 30 EDEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000367293922 154069755 /nfs/dbraw/zinc/06/97/55/154069755.db2.gz GSBJEYKPCWELHI-GDBMZVCRSA-N 1 2 348.472 1.286 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)o1 ZINC000367817802 154282741 /nfs/dbraw/zinc/28/27/41/154282741.db2.gz ZQWHFDCQCFUJOL-UHFFFAOYSA-N 1 2 328.353 1.815 20 30 EDEDLO CN1C(=O)CSC12CC[NH+](CC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000371788686 156104801 /nfs/dbraw/zinc/10/48/01/156104801.db2.gz OKZBAFHIFSGHHG-UHFFFAOYSA-N 1 2 344.440 1.494 20 30 EDEDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000372337228 156340671 /nfs/dbraw/zinc/34/06/71/156340671.db2.gz LUMQACOQRCXLIN-HOTGVXAUSA-N 1 2 345.399 1.539 20 30 EDEDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000372337228 156340677 /nfs/dbraw/zinc/34/06/77/156340677.db2.gz LUMQACOQRCXLIN-HOTGVXAUSA-N 1 2 345.399 1.539 20 30 EDEDLO CC1CC[NH+](CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000124251448 222398309 /nfs/dbraw/zinc/39/83/09/222398309.db2.gz ULOIFBVOCZCSHR-UHFFFAOYSA-N 1 2 343.399 1.847 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000132033061 287519936 /nfs/dbraw/zinc/51/99/36/287519936.db2.gz CWKQBQPYQACPNE-CRAIPNDOSA-N 1 2 343.427 1.602 20 30 EDEDLO N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000518194164 269975679 /nfs/dbraw/zinc/97/56/79/269975679.db2.gz NXTAEHFUNDTHDX-INIZCTEOSA-N 1 2 335.411 1.666 20 30 EDEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000121376730 264246307 /nfs/dbraw/zinc/24/63/07/264246307.db2.gz LQGNQDDHEDOJSB-INIZCTEOSA-N 1 2 349.456 1.192 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCN(Cc4cscn4)CC3)n2c1 ZINC000534343131 270016171 /nfs/dbraw/zinc/01/61/71/270016171.db2.gz CFGYQCLWMSNQSS-UHFFFAOYSA-N 1 2 338.440 1.980 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000492055236 267117744 /nfs/dbraw/zinc/11/77/44/267117744.db2.gz BOIZPAHQFLTSJV-CMDGGOBGSA-N 1 2 341.411 1.669 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000492055236 267117747 /nfs/dbraw/zinc/11/77/47/267117747.db2.gz BOIZPAHQFLTSJV-CMDGGOBGSA-N 1 2 341.411 1.669 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000283873218 267198769 /nfs/dbraw/zinc/19/87/69/267198769.db2.gz CCBUQOKUOQOWFQ-XKQJLSEDSA-N 1 2 329.400 1.257 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000283873218 267198771 /nfs/dbraw/zinc/19/87/71/267198771.db2.gz CCBUQOKUOQOWFQ-XKQJLSEDSA-N 1 2 329.400 1.257 20 30 EDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(c2cccnc2C#N)CCO1 ZINC000418934038 267299331 /nfs/dbraw/zinc/29/93/31/267299331.db2.gz INSIGDBLHKWYOZ-CQSZACIVSA-N 1 2 346.431 1.432 20 30 EDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@@H]1CN(c2cccnc2C#N)CCO1 ZINC000418934038 267299333 /nfs/dbraw/zinc/29/93/33/267299333.db2.gz INSIGDBLHKWYOZ-CQSZACIVSA-N 1 2 346.431 1.432 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425256422 267362816 /nfs/dbraw/zinc/36/28/16/267362816.db2.gz BLCNARQMEQEMLS-LBPRGKRZSA-N 1 2 332.360 1.763 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425256422 267362820 /nfs/dbraw/zinc/36/28/20/267362820.db2.gz BLCNARQMEQEMLS-LBPRGKRZSA-N 1 2 332.360 1.763 20 30 EDEDLO Cc1cc(NS(=O)(=O)c2ccc(C#N)nc2)n(-c2cc[nH+]cc2)n1 ZINC000437301838 268012478 /nfs/dbraw/zinc/01/24/78/268012478.db2.gz DHVINWOUUJORNM-UHFFFAOYSA-N 1 2 340.368 1.643 20 30 EDEDLO Cc1noc(C23CC(C2)C[N@@H+]3C[C@H](O)COc2ccccc2C#N)n1 ZINC000528616506 268097048 /nfs/dbraw/zinc/09/70/48/268097048.db2.gz NQKQYKNQBBZKMO-DBQDNQAGSA-N 1 2 340.383 1.611 20 30 EDEDLO Cc1noc(C23CC(C2)C[N@H+]3C[C@H](O)COc2ccccc2C#N)n1 ZINC000528616506 268097051 /nfs/dbraw/zinc/09/70/51/268097051.db2.gz NQKQYKNQBBZKMO-DBQDNQAGSA-N 1 2 340.383 1.611 20 30 EDEDLO Cc1nsc(C)c1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000518791178 268101408 /nfs/dbraw/zinc/10/14/08/268101408.db2.gz ZPYNYFFFRGHLRK-UHFFFAOYSA-N 1 2 330.461 1.996 20 30 EDEDLO N#Cc1ccc([N+](=O)[O-])c(Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000274281248 268218349 /nfs/dbraw/zinc/21/83/49/268218349.db2.gz VIDSPMHPYTXOGH-UHFFFAOYSA-N 1 2 342.359 1.739 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428770701 268263501 /nfs/dbraw/zinc/26/35/01/268263501.db2.gz GBJBWPBDUBZZOA-SJLPKXTDSA-N 1 2 347.378 1.505 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428770701 268263503 /nfs/dbraw/zinc/26/35/03/268263503.db2.gz GBJBWPBDUBZZOA-SJLPKXTDSA-N 1 2 347.378 1.505 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000528505224 268301484 /nfs/dbraw/zinc/30/14/84/268301484.db2.gz JEYKHAHMQSLNLE-NUJGCVRESA-N 1 2 332.400 1.178 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000528505224 268301486 /nfs/dbraw/zinc/30/14/86/268301486.db2.gz JEYKHAHMQSLNLE-NUJGCVRESA-N 1 2 332.400 1.178 20 30 EDEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000286753814 269652909 /nfs/dbraw/zinc/65/29/09/269652909.db2.gz RTRIRXBTAVRJPQ-UHFFFAOYSA-N 1 2 339.399 1.347 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C ZINC000491774742 275386426 /nfs/dbraw/zinc/38/64/26/275386426.db2.gz XLOBLNBXTCBJEJ-GUYCJALGSA-N 1 2 341.411 1.763 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C ZINC000491774742 275386427 /nfs/dbraw/zinc/38/64/27/275386427.db2.gz XLOBLNBXTCBJEJ-GUYCJALGSA-N 1 2 341.411 1.763 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000377862371 447380834 /nfs/dbraw/zinc/38/08/34/447380834.db2.gz XDFYDVPBILDQTF-CQSZACIVSA-N 1 2 329.466 1.053 20 30 EDEDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C(N)=O)C1 ZINC000426271223 447412066 /nfs/dbraw/zinc/41/20/66/447412066.db2.gz MKRIHYHCXNAMFG-BXUZGUMPSA-N 1 2 325.372 1.694 20 30 EDEDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C(N)=O)C1 ZINC000426271223 447412072 /nfs/dbraw/zinc/41/20/72/447412072.db2.gz MKRIHYHCXNAMFG-BXUZGUMPSA-N 1 2 325.372 1.694 20 30 EDEDLO COc1ccccc1OCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000081211958 441241427 /nfs/dbraw/zinc/24/14/27/441241427.db2.gz BQQWKTGIIWKVAE-UHFFFAOYSA-N 1 2 333.432 1.622 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000073108171 441294842 /nfs/dbraw/zinc/29/48/42/441294842.db2.gz POEQRDLRDRLUDH-UHFFFAOYSA-N 1 2 347.422 1.665 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccc(F)cc1 ZINC000060855758 441259225 /nfs/dbraw/zinc/25/92/25/441259225.db2.gz FQCKGMQAJZTPPK-QPJJXVBHSA-N 1 2 331.391 1.913 20 30 EDEDLO C=CC[N@@H+](CC(=O)NC(=O)NCCC)Cc1cccc([N+](=O)[O-])c1 ZINC000063297836 441324447 /nfs/dbraw/zinc/32/44/47/441324447.db2.gz BFOJKPKDCNLFAV-UHFFFAOYSA-N 1 2 334.376 1.819 20 30 EDEDLO C=CC[N@H+](CC(=O)NC(=O)NCCC)Cc1cccc([N+](=O)[O-])c1 ZINC000063297836 441324450 /nfs/dbraw/zinc/32/44/50/441324450.db2.gz BFOJKPKDCNLFAV-UHFFFAOYSA-N 1 2 334.376 1.819 20 30 EDEDLO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000073615384 441332714 /nfs/dbraw/zinc/33/27/14/441332714.db2.gz NIVOCDPVODIWEQ-XJKSGUPXSA-N 1 2 349.456 1.024 20 30 EDEDLO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000073615384 441332718 /nfs/dbraw/zinc/33/27/18/441332718.db2.gz NIVOCDPVODIWEQ-XJKSGUPXSA-N 1 2 349.456 1.024 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2nccn2C)CC1 ZINC000105930642 441318691 /nfs/dbraw/zinc/31/86/91/441318691.db2.gz VBGHIUTZKKJCAA-MRXNPFEDSA-N 1 2 333.480 1.351 20 30 EDEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCOC1 ZINC000106882020 441384505 /nfs/dbraw/zinc/38/45/05/441384505.db2.gz PPCMXCQNYIYUCL-HNNXBMFYSA-N 1 2 325.372 1.403 20 30 EDEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCOC1 ZINC000106882020 441384507 /nfs/dbraw/zinc/38/45/07/441384507.db2.gz PPCMXCQNYIYUCL-HNNXBMFYSA-N 1 2 325.372 1.403 20 30 EDEDLO CC(=O)NCC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083169263 441352361 /nfs/dbraw/zinc/35/23/61/441352361.db2.gz INWJTDKDORKUSD-HNNXBMFYSA-N 1 2 346.456 1.573 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000025931609 441361566 /nfs/dbraw/zinc/36/15/66/441361566.db2.gz CWSSDOZOXCYOIF-ZDUSSCGKSA-N 1 2 335.404 1.047 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(Cc2cscn2)CC1 ZINC000065952654 441496180 /nfs/dbraw/zinc/49/61/80/441496180.db2.gz BJNSGVSBWNKSBD-AWEZNQCLSA-N 1 2 335.477 1.269 20 30 EDEDLO C[N@@H+](Cc1nnc2n1CCC2)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000085954738 441456617 /nfs/dbraw/zinc/45/66/17/441456617.db2.gz UNTQBMLLJLMCPZ-HNNXBMFYSA-N 1 2 341.415 1.162 20 30 EDEDLO C[N@H+](Cc1nnc2n1CCC2)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000085954738 441456621 /nfs/dbraw/zinc/45/66/21/441456621.db2.gz UNTQBMLLJLMCPZ-HNNXBMFYSA-N 1 2 341.415 1.162 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)c1 ZINC000029443992 441458632 /nfs/dbraw/zinc/45/86/32/441458632.db2.gz USRABSOEWVEYFS-UHFFFAOYSA-N 1 2 335.411 1.392 20 30 EDEDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450348 441460011 /nfs/dbraw/zinc/46/00/11/441460011.db2.gz UOKXVGYVTRKTBC-AWEZNQCLSA-N 1 2 329.448 1.769 20 30 EDEDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450286 441460265 /nfs/dbraw/zinc/46/02/65/441460265.db2.gz YNFHXAVAQHXFGW-HNNXBMFYSA-N 1 2 329.448 1.770 20 30 EDEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000088771164 441520574 /nfs/dbraw/zinc/52/05/74/441520574.db2.gz AVLZAOQOVSNVRR-UHFFFAOYSA-N 1 2 345.790 1.943 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2nc(CC)ns2)CC1 ZINC000076062116 441590962 /nfs/dbraw/zinc/59/09/62/441590962.db2.gz GVGPSVLTXHVPKI-AWEZNQCLSA-N 1 2 349.504 1.812 20 30 EDEDLO C#CC[NH+](CC#C)CC(=O)N(CC)Cc1ccc(OC)c(OC)c1 ZINC000076185825 441607777 /nfs/dbraw/zinc/60/77/77/441607777.db2.gz GBKGNOKLDUJOME-UHFFFAOYSA-N 1 2 328.412 1.621 20 30 EDEDLO CCN(CC)c1ccc(CNS(=O)(=O)N(C)CCC#N)c[nH+]1 ZINC000076408721 441642107 /nfs/dbraw/zinc/64/21/07/441642107.db2.gz CSPAQYVYJAMHPA-UHFFFAOYSA-N 1 2 325.438 1.108 20 30 EDEDLO Cc1ccc([C@H](CNC(=O)CSCC#N)[NH+]2CCOCC2)cc1 ZINC000055808899 441666121 /nfs/dbraw/zinc/66/61/21/441666121.db2.gz PQJSCHANHWHIBG-INIZCTEOSA-N 1 2 333.457 1.741 20 30 EDEDLO CN(Cc1ccco1)C(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158223252 441708760 /nfs/dbraw/zinc/70/87/60/441708760.db2.gz UYBQLIZCOMKIHD-UHFFFAOYSA-N 1 2 329.356 1.510 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cnccc3C#N)CC2)n1 ZINC000091734134 441733003 /nfs/dbraw/zinc/73/30/03/441733003.db2.gz CQACYMNRTQQZIZ-ZDUSSCGKSA-N 1 2 342.403 1.756 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cnccc3C#N)CC2)n1 ZINC000091734134 441733011 /nfs/dbraw/zinc/73/30/11/441733011.db2.gz CQACYMNRTQQZIZ-ZDUSSCGKSA-N 1 2 342.403 1.756 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000042533115 441746592 /nfs/dbraw/zinc/74/65/92/441746592.db2.gz OPXBGXUZTQRKJE-ZDUSSCGKSA-N 1 2 328.420 1.748 20 30 EDEDLO COCc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)o1 ZINC000091936522 441755494 /nfs/dbraw/zinc/75/54/94/441755494.db2.gz WONYGLGPXXXCRW-CYBMUJFWSA-N 1 2 327.388 1.798 20 30 EDEDLO COCc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)o1 ZINC000091936522 441755497 /nfs/dbraw/zinc/75/54/97/441755497.db2.gz WONYGLGPXXXCRW-CYBMUJFWSA-N 1 2 327.388 1.798 20 30 EDEDLO C#CCN(CC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000056613136 441728188 /nfs/dbraw/zinc/72/81/88/441728188.db2.gz WPCGGMVDLLTXOU-HUUCEWRRSA-N 1 2 330.432 1.860 20 30 EDEDLO N#Cc1c(F)cccc1N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077189259 441730800 /nfs/dbraw/zinc/73/08/00/441730800.db2.gz CRHKKVBJISCKKK-UHFFFAOYSA-N 1 2 349.373 2.000 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(F)c2)CC1 ZINC000139155819 441807864 /nfs/dbraw/zinc/80/78/64/441807864.db2.gz GGLAJXHBQKHVEP-UHFFFAOYSA-N 1 2 326.393 1.164 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1)C1CC1 ZINC000078302988 441916355 /nfs/dbraw/zinc/91/63/55/441916355.db2.gz OUNXVQOSBZMQOF-AWEZNQCLSA-N 1 2 332.370 1.365 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1)C1CC1 ZINC000078302988 441916360 /nfs/dbraw/zinc/91/63/60/441916360.db2.gz OUNXVQOSBZMQOF-AWEZNQCLSA-N 1 2 332.370 1.365 20 30 EDEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000149488538 441924838 /nfs/dbraw/zinc/92/48/38/441924838.db2.gz ZMGHJVOVJFOANA-UHFFFAOYSA-N 1 2 331.416 1.022 20 30 EDEDLO C[C@@H](NC(=O)CN(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000078681537 441962083 /nfs/dbraw/zinc/96/20/83/441962083.db2.gz AFZKHRIPGRGVCY-QGZVFWFLSA-N 1 2 344.459 1.412 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2SCc1cc(=O)n2ncc(C#N)c2[nH]1 ZINC000078752403 441968021 /nfs/dbraw/zinc/96/80/21/441968021.db2.gz HJEQROBTEDSYCF-UHFFFAOYSA-N 1 2 338.356 1.276 20 30 EDEDLO CCCN(CC#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000151203756 442023767 /nfs/dbraw/zinc/02/37/67/442023767.db2.gz YACSPAIGVLWVRZ-UHFFFAOYSA-N 1 2 331.416 1.824 20 30 EDEDLO CCCN(CC#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000151203756 442023768 /nfs/dbraw/zinc/02/37/68/442023768.db2.gz YACSPAIGVLWVRZ-UHFFFAOYSA-N 1 2 331.416 1.824 20 30 EDEDLO C[C@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)N(C)CCC#N ZINC000151218153 442026415 /nfs/dbraw/zinc/02/64/15/442026415.db2.gz CDINQTDURJDJSA-KBPBESRZSA-N 1 2 326.404 1.678 20 30 EDEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1(C(N)=O)CCCC1 ZINC000120198873 442026928 /nfs/dbraw/zinc/02/69/28/442026928.db2.gz JGEUGBFYRLGVKG-UHFFFAOYSA-N 1 2 334.807 1.880 20 30 EDEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1(C(N)=O)CCCC1 ZINC000120198873 442026935 /nfs/dbraw/zinc/02/69/35/442026935.db2.gz JGEUGBFYRLGVKG-UHFFFAOYSA-N 1 2 334.807 1.880 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cc(Br)cn1C ZINC000151621380 442094750 /nfs/dbraw/zinc/09/47/50/442094750.db2.gz NVUSOTTZTRVEBO-UHFFFAOYSA-N 1 2 341.253 1.982 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000151621380 442094754 /nfs/dbraw/zinc/09/47/54/442094754.db2.gz NVUSOTTZTRVEBO-UHFFFAOYSA-N 1 2 341.253 1.982 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000175926654 442147915 /nfs/dbraw/zinc/14/79/15/442147915.db2.gz CGBDUZOORNPRND-UHFFFAOYSA-N 1 2 339.399 1.457 20 30 EDEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000121376489 442209651 /nfs/dbraw/zinc/20/96/51/442209651.db2.gz LUHDQCXGVQOBNM-QWHCGFSZSA-N 1 2 333.432 1.802 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@H](c2ccccc2)C1 ZINC000170656595 442243807 /nfs/dbraw/zinc/24/38/07/442243807.db2.gz AITCEFFTPOLMLY-KRWDZBQOSA-N 1 2 342.424 1.631 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@H](c2ccccc2)C1 ZINC000170656595 442243811 /nfs/dbraw/zinc/24/38/11/442243811.db2.gz AITCEFFTPOLMLY-KRWDZBQOSA-N 1 2 342.424 1.631 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000170812193 442267971 /nfs/dbraw/zinc/26/79/71/442267971.db2.gz YRAVQRUGXGDYMM-ZBFHGGJFSA-N 1 2 328.416 1.292 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000170812193 442267974 /nfs/dbraw/zinc/26/79/74/442267974.db2.gz YRAVQRUGXGDYMM-ZBFHGGJFSA-N 1 2 328.416 1.292 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000170812193 442267977 /nfs/dbraw/zinc/26/79/77/442267977.db2.gz YRAVQRUGXGDYMM-ZBFHGGJFSA-N 1 2 328.416 1.292 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000128624669 442278700 /nfs/dbraw/zinc/27/87/00/442278700.db2.gz LIDJVPQMLCMQGZ-AWEZNQCLSA-N 1 2 330.428 1.980 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000128624669 442278703 /nfs/dbraw/zinc/27/87/03/442278703.db2.gz LIDJVPQMLCMQGZ-AWEZNQCLSA-N 1 2 330.428 1.980 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)nc1 ZINC000170969614 442294848 /nfs/dbraw/zinc/29/48/48/442294848.db2.gz GRARIPPMRROHBU-GOSISDBHSA-N 1 2 336.395 1.757 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N(C)CC[NH+](C)C)cc2[nH]c1=S ZINC000176804606 442259661 /nfs/dbraw/zinc/25/96/61/442259661.db2.gz HRKFNMKKOPIASS-UHFFFAOYSA-N 1 2 346.456 1.879 20 30 EDEDLO Cc1cccc2[nH+]c(CNC(=O)CNC(=O)c3ccc(C#N)cc3)cn21 ZINC000171828486 442383723 /nfs/dbraw/zinc/38/37/23/442383723.db2.gz YGVNOHYLTIVKGA-UHFFFAOYSA-N 1 2 347.378 1.561 20 30 EDEDLO CCOc1ccc(O)c(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000154758139 442355239 /nfs/dbraw/zinc/35/52/39/442355239.db2.gz LGQOZJIAZSLRDF-UHFFFAOYSA-N 1 2 333.432 1.839 20 30 EDEDLO CCOc1ccc(O)c(C[N@H+](CCC#N)CCN2CCOCC2)c1 ZINC000154758139 442355243 /nfs/dbraw/zinc/35/52/43/442355243.db2.gz LGQOZJIAZSLRDF-UHFFFAOYSA-N 1 2 333.432 1.839 20 30 EDEDLO CCOc1ccc(O)c(C[N@@H+](CCC#N)CCN2CCOCC2)c1 ZINC000154758139 442355246 /nfs/dbraw/zinc/35/52/46/442355246.db2.gz LGQOZJIAZSLRDF-UHFFFAOYSA-N 1 2 333.432 1.839 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155639568 442415346 /nfs/dbraw/zinc/41/53/46/442415346.db2.gz ZXFOIDZRXFULMN-KRWDZBQOSA-N 1 2 339.399 1.776 20 30 EDEDLO CCc1ccc(C[NH+]2CCN(C(=O)Cn3cnc(C#N)n3)CC2)s1 ZINC000178597585 442446225 /nfs/dbraw/zinc/44/62/25/442446225.db2.gz OTKGSOPXYLXTPM-UHFFFAOYSA-N 1 2 344.444 1.118 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](CNC(C)=O)C2)cc(OC)c1O ZINC000179711139 442491666 /nfs/dbraw/zinc/49/16/66/442491666.db2.gz RHXPSAUIUBEGEH-INIZCTEOSA-N 1 2 334.416 1.466 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](CNC(C)=O)C2)cc(OC)c1O ZINC000179711139 442491670 /nfs/dbraw/zinc/49/16/70/442491670.db2.gz RHXPSAUIUBEGEH-INIZCTEOSA-N 1 2 334.416 1.466 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)cc1F ZINC000192093190 442590003 /nfs/dbraw/zinc/59/00/03/442590003.db2.gz UFKBLRZXPXQLHC-UHFFFAOYSA-N 1 2 339.374 1.513 20 30 EDEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000173071312 442598037 /nfs/dbraw/zinc/59/80/37/442598037.db2.gz GYSYAWBADJULLN-UHFFFAOYSA-N 1 2 325.821 1.680 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)NCc1cc(C#N)ccc1F)[NH+]1CCOCC1 ZINC000173192647 442621180 /nfs/dbraw/zinc/62/11/80/442621180.db2.gz UWHGWVVLJFWOML-QWHCGFSZSA-N 1 2 334.395 1.606 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181563798 442704056 /nfs/dbraw/zinc/70/40/56/442704056.db2.gz DPPPOZISFZKMIY-GDBMZVCRSA-N 1 2 331.416 1.330 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181563798 442704059 /nfs/dbraw/zinc/70/40/59/442704059.db2.gz DPPPOZISFZKMIY-GDBMZVCRSA-N 1 2 331.416 1.330 20 30 EDEDLO C[C@@H]1C[N@@H+](CCN(C)S(=O)(=O)c2ccccc2C#N)C[C@H](C)O1 ZINC000194020990 442830564 /nfs/dbraw/zinc/83/05/64/442830564.db2.gz MIDGDUZNTYSXBH-OKILXGFUSA-N 1 2 337.445 1.288 20 30 EDEDLO C[C@@H]1C[N@H+](CCN(C)S(=O)(=O)c2ccccc2C#N)C[C@H](C)O1 ZINC000194020990 442830565 /nfs/dbraw/zinc/83/05/65/442830565.db2.gz MIDGDUZNTYSXBH-OKILXGFUSA-N 1 2 337.445 1.288 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000182821858 442831227 /nfs/dbraw/zinc/83/12/27/442831227.db2.gz GJYFNLXKTHLYJA-QGZVFWFLSA-N 1 2 333.432 1.255 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000265698301 442884827 /nfs/dbraw/zinc/88/48/27/442884827.db2.gz PQHQQWOEOOUUCC-CQSZACIVSA-N 1 2 333.457 1.135 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000265698301 442884828 /nfs/dbraw/zinc/88/48/28/442884828.db2.gz PQHQQWOEOOUUCC-CQSZACIVSA-N 1 2 333.457 1.135 20 30 EDEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000268336199 442952735 /nfs/dbraw/zinc/95/27/35/442952735.db2.gz YVMWYHVNMNZKFJ-OAHLLOKOSA-N 1 2 325.409 1.601 20 30 EDEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000268336199 442952738 /nfs/dbraw/zinc/95/27/38/442952738.db2.gz YVMWYHVNMNZKFJ-OAHLLOKOSA-N 1 2 325.409 1.601 20 30 EDEDLO CCN(CC)C(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000268640109 443061380 /nfs/dbraw/zinc/06/13/80/443061380.db2.gz DJWGSIATILMDMA-QGZVFWFLSA-N 1 2 330.432 1.671 20 30 EDEDLO Cc1nsc(N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)n1 ZINC000268684636 443076405 /nfs/dbraw/zinc/07/64/05/443076405.db2.gz PIQZFPADEZMDJI-HNNXBMFYSA-N 1 2 329.429 1.574 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2ccc(C#N)cn2)C1 ZINC000328635976 318947737 /nfs/dbraw/zinc/94/77/37/318947737.db2.gz VFRSLTCDTBQTMB-CQSZACIVSA-N 1 2 337.383 1.708 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CCC ZINC000245732216 443246973 /nfs/dbraw/zinc/24/69/73/443246973.db2.gz JPGSFMNVPXUEFO-SJORKVTESA-N 1 2 332.444 1.755 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCNC(=O)[C@@H]1CCC ZINC000245732216 443246976 /nfs/dbraw/zinc/24/69/76/443246976.db2.gz JPGSFMNVPXUEFO-SJORKVTESA-N 1 2 332.444 1.755 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2cc(C#N)n(C)c2)CC1 ZINC000191307632 443275351 /nfs/dbraw/zinc/27/53/51/443275351.db2.gz QCZBXQUMVZDMCE-UHFFFAOYSA-N 1 2 346.431 1.130 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cc(C#N)n(C)c2)CC1 ZINC000191307632 443275356 /nfs/dbraw/zinc/27/53/56/443275356.db2.gz QCZBXQUMVZDMCE-UHFFFAOYSA-N 1 2 346.431 1.130 20 30 EDEDLO C#Cc1ccc(C[NH+]2CCN(S(=O)(=O)CCCOC)CC2)cc1 ZINC000278489187 443345138 /nfs/dbraw/zinc/34/51/38/443345138.db2.gz BIMSJEVONXRCOA-UHFFFAOYSA-N 1 2 336.457 1.152 20 30 EDEDLO Cn1cc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cc1C#N ZINC000191463929 443298398 /nfs/dbraw/zinc/29/83/98/443298398.db2.gz UIDZADMFFYFOBA-LBPRGKRZSA-N 1 2 340.391 1.942 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](CCO)Cc1cc(OC)ccc1OC ZINC000264705615 443383497 /nfs/dbraw/zinc/38/34/97/443383497.db2.gz JRPRNNYRMPKYTK-UHFFFAOYSA-N 1 2 349.431 1.260 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](CCO)Cc1cc(OC)ccc1OC ZINC000264705615 443383501 /nfs/dbraw/zinc/38/35/01/443383501.db2.gz JRPRNNYRMPKYTK-UHFFFAOYSA-N 1 2 349.431 1.260 20 30 EDEDLO C=CCn1c(-c2ccc(C)o2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000282469026 443348892 /nfs/dbraw/zinc/34/88/92/443348892.db2.gz BMAIDDPNKSEIRY-UHFFFAOYSA-N 1 2 331.420 1.801 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C(N)=O)c3ccccc3)C2=O)cc1 ZINC000272526360 443351433 /nfs/dbraw/zinc/35/14/33/443351433.db2.gz YGYZPMFVQWVPOX-MSOLQXFVSA-N 1 2 348.406 1.870 20 30 EDEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@H](CO)C1)CCC2 ZINC000267355200 443428469 /nfs/dbraw/zinc/42/84/69/443428469.db2.gz GSDIUYRWFAJAQW-NSHDSACASA-N 1 2 335.429 1.130 20 30 EDEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H](CO)C1)CCC2 ZINC000267355200 443428471 /nfs/dbraw/zinc/42/84/71/443428471.db2.gz GSDIUYRWFAJAQW-NSHDSACASA-N 1 2 335.429 1.130 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278916443 443474069 /nfs/dbraw/zinc/47/40/69/443474069.db2.gz UFJDEOFREYGRSH-CQSZACIVSA-N 1 2 334.395 1.826 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278916443 443474073 /nfs/dbraw/zinc/47/40/73/443474073.db2.gz UFJDEOFREYGRSH-CQSZACIVSA-N 1 2 334.395 1.826 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)n1 ZINC000267445249 443460374 /nfs/dbraw/zinc/46/03/74/443460374.db2.gz ZNEPTTIPKNZMOQ-ZDUSSCGKSA-N 1 2 342.403 1.756 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)n1 ZINC000267445249 443460377 /nfs/dbraw/zinc/46/03/77/443460377.db2.gz ZNEPTTIPKNZMOQ-ZDUSSCGKSA-N 1 2 342.403 1.756 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000279352853 443563761 /nfs/dbraw/zinc/56/37/61/443563761.db2.gz CTEBEUXYVCHXAM-UHFFFAOYSA-N 1 2 347.463 1.159 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)NCC[N@H+]2CCOCC2(C)C)n1 ZINC000279352853 443563767 /nfs/dbraw/zinc/56/37/67/443563767.db2.gz CTEBEUXYVCHXAM-UHFFFAOYSA-N 1 2 347.463 1.159 20 30 EDEDLO N#Cc1c(F)cccc1N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000279259286 443542964 /nfs/dbraw/zinc/54/29/64/443542964.db2.gz USNWRRAHOLLFNV-UHFFFAOYSA-N 1 2 327.363 1.702 20 30 EDEDLO Cc1cc(C)n(-c2ccc(C(N)=NOCc3c[nH+]cn3C)cn2)n1 ZINC000267715676 443552059 /nfs/dbraw/zinc/55/20/59/443552059.db2.gz ADKCKHUIIUNRMX-UHFFFAOYSA-N 1 2 325.376 1.455 20 30 EDEDLO COCCO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000275461371 443628161 /nfs/dbraw/zinc/62/81/61/443628161.db2.gz BXOCXBPHSFYXKX-AWEZNQCLSA-N 1 2 349.456 1.978 20 30 EDEDLO COCCO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000275461371 443628162 /nfs/dbraw/zinc/62/81/62/443628162.db2.gz BXOCXBPHSFYXKX-AWEZNQCLSA-N 1 2 349.456 1.978 20 30 EDEDLO Cc1nc2ccc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc2o1 ZINC000279504379 443595455 /nfs/dbraw/zinc/59/54/55/443595455.db2.gz KJBBLCQKQGVIKU-UHFFFAOYSA-N 1 2 342.399 1.824 20 30 EDEDLO C[C@@H]1CC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@@H]1CO ZINC000276016257 443648775 /nfs/dbraw/zinc/64/87/75/443648775.db2.gz JXCYKMXPERLQPB-UXIGCNINSA-N 1 2 340.383 1.214 20 30 EDEDLO C[C@@H]1CC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@@H]1CO ZINC000276016257 443648778 /nfs/dbraw/zinc/64/87/78/443648778.db2.gz JXCYKMXPERLQPB-UXIGCNINSA-N 1 2 340.383 1.214 20 30 EDEDLO CC(C)(C#N)c1ccc(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)cc1 ZINC000280170573 443675641 /nfs/dbraw/zinc/67/56/41/443675641.db2.gz OVZWYMAHQCGIDU-UHFFFAOYSA-N 1 2 342.443 1.509 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)COc2ccc(C#N)cc2)C1 ZINC000276275818 443679661 /nfs/dbraw/zinc/67/96/61/443679661.db2.gz GVCATVBDIFBSHR-GOSISDBHSA-N 1 2 343.427 1.506 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)COc2ccc(C#N)cc2)C1 ZINC000276275818 443679663 /nfs/dbraw/zinc/67/96/63/443679663.db2.gz GVCATVBDIFBSHR-GOSISDBHSA-N 1 2 343.427 1.506 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000286554052 443715927 /nfs/dbraw/zinc/71/59/27/443715927.db2.gz HTWMEVPVEHJXSG-UHFFFAOYSA-N 1 2 348.802 1.948 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc(C3CCCC3)nc2N)CC1 ZINC000287556876 443747520 /nfs/dbraw/zinc/74/75/20/443747520.db2.gz OTOZWEGFYAHTNI-UHFFFAOYSA-N 1 2 327.432 1.498 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000284806452 443789628 /nfs/dbraw/zinc/78/96/28/443789628.db2.gz IMHHGHRWSGTCCK-HIFRSBDPSA-N 1 2 335.452 1.480 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000284806452 443789632 /nfs/dbraw/zinc/78/96/32/443789632.db2.gz IMHHGHRWSGTCCK-HIFRSBDPSA-N 1 2 335.452 1.480 20 30 EDEDLO C#CCNc1nc(NCC[C@@H](C)OC)[nH+]c(NCC[C@H](C)OC)n1 ZINC000288168573 443792133 /nfs/dbraw/zinc/79/21/33/443792133.db2.gz ZZDGWCVGILTAHG-BETUJISGSA-N 1 2 336.440 1.591 20 30 EDEDLO C#CCNc1nc(NCC[C@@H](C)OC)nc(NCC[C@H](C)OC)[nH+]1 ZINC000288168573 443792136 /nfs/dbraw/zinc/79/21/36/443792136.db2.gz ZZDGWCVGILTAHG-BETUJISGSA-N 1 2 336.440 1.591 20 30 EDEDLO C#CCNc1nc(NCC[C@H](C)OC)nc(NCC[C@@H](C)OC)[nH+]1 ZINC000288168573 443792139 /nfs/dbraw/zinc/79/21/39/443792139.db2.gz ZZDGWCVGILTAHG-BETUJISGSA-N 1 2 336.440 1.591 20 30 EDEDLO C=CC[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000287598200 443749064 /nfs/dbraw/zinc/74/90/64/443749064.db2.gz DDBWHFCZJZLNIO-HZPDHXFCSA-N 1 2 343.876 1.919 20 30 EDEDLO C=CC[N@H+](C[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000287598200 443749067 /nfs/dbraw/zinc/74/90/67/443749067.db2.gz DDBWHFCZJZLNIO-HZPDHXFCSA-N 1 2 343.876 1.919 20 30 EDEDLO C=C(C)CS(=O)(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000276567375 443749613 /nfs/dbraw/zinc/74/96/13/443749613.db2.gz MNESTWCGZXDGKC-QGZVFWFLSA-N 1 2 338.473 1.425 20 30 EDEDLO C[C@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000283923666 443758706 /nfs/dbraw/zinc/75/87/06/443758706.db2.gz JBJRGLBPKRLZPE-AWEZNQCLSA-N 1 2 339.399 1.481 20 30 EDEDLO CN(CCCOc1ccccc1)C(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000283988958 443760061 /nfs/dbraw/zinc/76/00/61/443760061.db2.gz GXXDDIHROZXCDI-OAHLLOKOSA-N 1 2 335.404 1.382 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284225464 443769927 /nfs/dbraw/zinc/76/99/27/443769927.db2.gz JZSISTYVGQFZIK-AAEUAGOBSA-N 1 2 341.371 1.441 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284225464 443769930 /nfs/dbraw/zinc/76/99/30/443769930.db2.gz JZSISTYVGQFZIK-AAEUAGOBSA-N 1 2 341.371 1.441 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000284290877 443771788 /nfs/dbraw/zinc/77/17/88/443771788.db2.gz YNGARYCVUOSPSA-AEFFLSMTSA-N 1 2 347.484 1.694 20 30 EDEDLO Cc1cc(C)cc(OCCN(C)C(=O)CO[NH+]=C(N)[C@H]2CCCO2)c1 ZINC000284507445 443778249 /nfs/dbraw/zinc/77/82/49/443778249.db2.gz TYSCLWYDVLKPEW-MRXNPFEDSA-N 1 2 349.431 1.608 20 30 EDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000298620305 443819823 /nfs/dbraw/zinc/81/98/23/443819823.db2.gz URVWONHOSNIEKY-DOTOQJQBSA-N 1 2 327.428 1.234 20 30 EDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000298620305 443819828 /nfs/dbraw/zinc/81/98/28/443819828.db2.gz URVWONHOSNIEKY-DOTOQJQBSA-N 1 2 327.428 1.234 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCN1C ZINC000276781364 443825204 /nfs/dbraw/zinc/82/52/04/443825204.db2.gz UXKDJKMDYPOEGF-DKRLNXSXSA-N 1 2 335.411 1.820 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000298674397 443835432 /nfs/dbraw/zinc/83/54/32/443835432.db2.gz VVSJXBWDFGDLQT-KBXCAEBGSA-N 1 2 331.416 1.813 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000298674397 443835436 /nfs/dbraw/zinc/83/54/36/443835436.db2.gz VVSJXBWDFGDLQT-KBXCAEBGSA-N 1 2 331.416 1.813 20 30 EDEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H]1OC ZINC000276965460 443880972 /nfs/dbraw/zinc/88/09/72/443880972.db2.gz XMKQOZPQKYNFNX-XYPHTWIQSA-N 1 2 349.406 1.806 20 30 EDEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H]1OC ZINC000276965460 443880976 /nfs/dbraw/zinc/88/09/76/443880976.db2.gz XMKQOZPQKYNFNX-XYPHTWIQSA-N 1 2 349.406 1.806 20 30 EDEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H]1OC ZINC000276965457 443881040 /nfs/dbraw/zinc/88/10/40/443881040.db2.gz XMKQOZPQKYNFNX-RRQGHBQHSA-N 1 2 349.406 1.806 20 30 EDEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H]1OC ZINC000276965457 443881048 /nfs/dbraw/zinc/88/10/48/443881048.db2.gz XMKQOZPQKYNFNX-RRQGHBQHSA-N 1 2 349.406 1.806 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(OC)cc2)C1=O ZINC000281363099 443890344 /nfs/dbraw/zinc/89/03/44/443890344.db2.gz NZMRWRIALIESGA-QGZVFWFLSA-N 1 2 345.443 1.372 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(OC)cc2)C1=O ZINC000281363099 443890347 /nfs/dbraw/zinc/89/03/47/443890347.db2.gz NZMRWRIALIESGA-QGZVFWFLSA-N 1 2 345.443 1.372 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1=O ZINC000281384379 443896380 /nfs/dbraw/zinc/89/63/80/443896380.db2.gz PKINZITZFHEYBT-QGZVFWFLSA-N 1 2 344.459 1.088 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1=O ZINC000281384379 443896384 /nfs/dbraw/zinc/89/63/84/443896384.db2.gz PKINZITZFHEYBT-QGZVFWFLSA-N 1 2 344.459 1.088 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCCc2ccc(F)cc2)C1=O ZINC000281407923 443903240 /nfs/dbraw/zinc/90/32/40/443903240.db2.gz QYLIHEZZIOLBHS-RHSMWYFYSA-N 1 2 347.434 1.592 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCCc2ccc(F)cc2)C1=O ZINC000281407923 443903247 /nfs/dbraw/zinc/90/32/47/443903247.db2.gz QYLIHEZZIOLBHS-RHSMWYFYSA-N 1 2 347.434 1.592 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H](C)C1 ZINC000285411634 443975363 /nfs/dbraw/zinc/97/53/63/443975363.db2.gz UVSCQHJTKWGBMD-SNVBAGLBSA-N 1 2 329.372 1.551 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H](C)C1 ZINC000285411634 443975369 /nfs/dbraw/zinc/97/53/69/443975369.db2.gz UVSCQHJTKWGBMD-SNVBAGLBSA-N 1 2 329.372 1.551 20 30 EDEDLO COc1cc(OCC(=O)NCC(C)(C)[NH+]2CCOCC2)ccc1C#N ZINC000277759801 444036468 /nfs/dbraw/zinc/03/64/68/444036468.db2.gz RSYODZNBBJGHTQ-UHFFFAOYSA-N 1 2 347.415 1.173 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)Cc3ccccc3)CC2)C1=O ZINC000281923309 444040476 /nfs/dbraw/zinc/04/04/76/444040476.db2.gz HISXFECBANIWJQ-KRWDZBQOSA-N 1 2 327.428 1.160 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](CCO)Cc2cc(OC)ccc2OC)C1=O ZINC000282043857 444070720 /nfs/dbraw/zinc/07/07/20/444070720.db2.gz REUDDKHJWCCJEJ-INIZCTEOSA-N 1 2 334.416 1.285 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](CCO)Cc2cc(OC)ccc2OC)C1=O ZINC000282043857 444070722 /nfs/dbraw/zinc/07/07/22/444070722.db2.gz REUDDKHJWCCJEJ-INIZCTEOSA-N 1 2 334.416 1.285 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)Cc3ccccc3F)CC2)C1=O ZINC000282013283 444062700 /nfs/dbraw/zinc/06/27/00/444062700.db2.gz OOURBXKYLWDELW-KRWDZBQOSA-N 1 2 345.418 1.299 20 30 EDEDLO COC(=O)c1ccc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(C#N)n1 ZINC000564665837 321140465 /nfs/dbraw/zinc/14/04/65/321140465.db2.gz ACWPWLWWOOYLDD-OLZOCXBDSA-N 1 2 330.388 1.039 20 30 EDEDLO C=CCC1(c2nc(CC(=O)NCC[NH+]3CCOCC3)no2)CCC1 ZINC000289270127 444092390 /nfs/dbraw/zinc/09/23/90/444092390.db2.gz XEJYLOKROCDTKL-UHFFFAOYSA-N 1 2 334.420 1.058 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](c3nnc[nH]3)C2)C1=O ZINC000564881069 321153797 /nfs/dbraw/zinc/15/37/97/321153797.db2.gz LSFPHMSAKGEYIF-NWDGAFQWSA-N 1 2 328.401 1.333 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](c3nnc[nH]3)C2)C1=O ZINC000564881069 321153798 /nfs/dbraw/zinc/15/37/98/321153798.db2.gz LSFPHMSAKGEYIF-NWDGAFQWSA-N 1 2 328.401 1.333 20 30 EDEDLO Cc1csc(=O)n1CC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000565810883 321201614 /nfs/dbraw/zinc/20/16/14/321201614.db2.gz JNABEGSJXQEXFV-UHFFFAOYSA-N 1 2 329.429 1.307 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ccc(F)cc2F)c1=O ZINC000567804033 321258835 /nfs/dbraw/zinc/25/88/35/321258835.db2.gz JFYYHQQQVSHQHT-UHFFFAOYSA-N 1 2 345.349 1.879 20 30 EDEDLO CCCC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCS(=O)(=O)C1 ZINC000567895569 321266845 /nfs/dbraw/zinc/26/68/45/321266845.db2.gz OPLJSDNOKZAPII-HNNXBMFYSA-N 1 2 347.444 1.390 20 30 EDEDLO CCCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCS(=O)(=O)C1 ZINC000567895569 321266846 /nfs/dbraw/zinc/26/68/46/321266846.db2.gz OPLJSDNOKZAPII-HNNXBMFYSA-N 1 2 347.444 1.390 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000568465625 321292357 /nfs/dbraw/zinc/29/23/57/321292357.db2.gz OPWQLNDUHJZHRJ-IFUGULHKSA-N 1 2 337.807 1.214 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000568465625 321292358 /nfs/dbraw/zinc/29/23/58/321292358.db2.gz OPWQLNDUHJZHRJ-IFUGULHKSA-N 1 2 337.807 1.214 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC(=O)C(C)(C)C)CC1 ZINC000294442305 444117448 /nfs/dbraw/zinc/11/74/48/444117448.db2.gz CMMYVGSYULBORV-UHFFFAOYSA-N 1 2 349.475 1.056 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC(=O)C(C)(C)C)CC1 ZINC000294442305 444117452 /nfs/dbraw/zinc/11/74/52/444117452.db2.gz CMMYVGSYULBORV-UHFFFAOYSA-N 1 2 349.475 1.056 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000289394683 444129067 /nfs/dbraw/zinc/12/90/67/444129067.db2.gz MIHBCFLRMNCHKS-KRWDZBQOSA-N 1 2 345.443 1.211 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000289394683 444129070 /nfs/dbraw/zinc/12/90/70/444129070.db2.gz MIHBCFLRMNCHKS-KRWDZBQOSA-N 1 2 345.443 1.211 20 30 EDEDLO COC[C@@]1(C(=O)OC)CC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000295063920 444164514 /nfs/dbraw/zinc/16/45/14/444164514.db2.gz CBXOJQSSIQHYOG-CRAIPNDOSA-N 1 2 346.383 1.284 20 30 EDEDLO COC[C@@]1(C(=O)OC)CC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000295063920 444164515 /nfs/dbraw/zinc/16/45/15/444164515.db2.gz CBXOJQSSIQHYOG-CRAIPNDOSA-N 1 2 346.383 1.284 20 30 EDEDLO COC[C@]1(C(=O)OC)CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000296128146 444206679 /nfs/dbraw/zinc/20/66/79/444206679.db2.gz FXIIWRKVQAQHNH-KRWDZBQOSA-N 1 2 349.387 1.218 20 30 EDEDLO COC[C@]1(C(=O)OC)CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000296128146 444206681 /nfs/dbraw/zinc/20/66/81/444206681.db2.gz FXIIWRKVQAQHNH-KRWDZBQOSA-N 1 2 349.387 1.218 20 30 EDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H]1CCCC[C@H]1O ZINC000289820181 444207482 /nfs/dbraw/zinc/20/74/82/444207482.db2.gz JIBDXGYVOJIYMY-HUUCEWRRSA-N 1 2 337.445 1.210 20 30 EDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H]1CCCC[C@H]1O ZINC000289820181 444207484 /nfs/dbraw/zinc/20/74/84/444207484.db2.gz JIBDXGYVOJIYMY-HUUCEWRRSA-N 1 2 337.445 1.210 20 30 EDEDLO C#Cc1ccc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000296539561 444236962 /nfs/dbraw/zinc/23/69/62/444236962.db2.gz AYSPRIXXUAVWAF-MAUKXSAKSA-N 1 2 327.428 1.673 20 30 EDEDLO CC#CCN(C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000297349306 444283736 /nfs/dbraw/zinc/28/37/36/444283736.db2.gz UNZMWDRUJOCUPT-UHFFFAOYSA-N 1 2 345.443 1.562 20 30 EDEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCc2n[nH]nc2C1 ZINC000328796338 444355998 /nfs/dbraw/zinc/35/59/98/444355998.db2.gz URUJGTGVTSBAHK-GFCCVEGCSA-N 1 2 326.404 1.930 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@H](CO)C2)c(C)c1 ZINC000331008274 444356452 /nfs/dbraw/zinc/35/64/52/444356452.db2.gz YKHFCFBLIMWHTA-ILXRZTDVSA-N 1 2 349.431 1.435 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@H](CO)C2)c(C)c1 ZINC000331008274 444356458 /nfs/dbraw/zinc/35/64/58/444356458.db2.gz YKHFCFBLIMWHTA-ILXRZTDVSA-N 1 2 349.431 1.435 20 30 EDEDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000325734223 444369000 /nfs/dbraw/zinc/36/90/00/444369000.db2.gz BDFJFPTUXRWQQP-RDJZCZTQSA-N 1 2 347.484 1.891 20 30 EDEDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000325734223 444369003 /nfs/dbraw/zinc/36/90/03/444369003.db2.gz BDFJFPTUXRWQQP-RDJZCZTQSA-N 1 2 347.484 1.891 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC000290878454 444333919 /nfs/dbraw/zinc/33/39/19/444333919.db2.gz DJYUVDACQRGUSX-UHFFFAOYSA-N 1 2 340.383 1.965 20 30 EDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCCS(C)(=O)=O)C1 ZINC000331127867 444407136 /nfs/dbraw/zinc/40/71/36/444407136.db2.gz ODPLTWGPBDXXHJ-CYBMUJFWSA-N 1 2 342.465 1.023 20 30 EDEDLO CN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000328949936 444419249 /nfs/dbraw/zinc/41/92/49/444419249.db2.gz LBTXXVDDSVJHJY-IAGOWNOFSA-N 1 2 333.432 1.175 20 30 EDEDLO CN1CCOC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000328949936 444419252 /nfs/dbraw/zinc/41/92/52/444419252.db2.gz LBTXXVDDSVJHJY-IAGOWNOFSA-N 1 2 333.432 1.175 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(O)(C(F)F)CC2)cc1 ZINC000331157699 444422574 /nfs/dbraw/zinc/42/25/74/444422574.db2.gz QDLWGHHVNGYEDC-UHFFFAOYSA-N 1 2 344.383 1.424 20 30 EDEDLO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@@H]3C1)CCC2 ZINC000328901910 444395214 /nfs/dbraw/zinc/39/52/14/444395214.db2.gz ZROGQTDEXOTJFA-XHSDSOJGSA-N 1 2 347.463 1.388 20 30 EDEDLO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@@H]3OCC[N@H+](C)[C@@H]3C1)CCC2 ZINC000328901910 444395218 /nfs/dbraw/zinc/39/52/18/444395218.db2.gz ZROGQTDEXOTJFA-XHSDSOJGSA-N 1 2 347.463 1.388 20 30 EDEDLO CCn1cnnc1[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000328625626 444400669 /nfs/dbraw/zinc/40/06/69/444400669.db2.gz DJKULBZKKICOJA-MRXNPFEDSA-N 1 2 327.388 1.622 20 30 EDEDLO CCn1cnnc1[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000328625626 444400674 /nfs/dbraw/zinc/40/06/74/444400674.db2.gz DJKULBZKKICOJA-MRXNPFEDSA-N 1 2 327.388 1.622 20 30 EDEDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc(C#N)o1 ZINC000340483175 444401742 /nfs/dbraw/zinc/40/17/42/444401742.db2.gz ICYRXVLCQXVDOL-CQSZACIVSA-N 1 2 339.399 1.487 20 30 EDEDLO CCOC1CC(CNC(=O)N[C@@H]2CCC[C@H]2C)([NH+]2CCOCC2)C1 ZINC000328682549 444427992 /nfs/dbraw/zinc/42/79/92/444427992.db2.gz VRKNOEWMGXEFOL-JBCIKUTRSA-N 1 2 339.480 1.949 20 30 EDEDLO COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328994480 444437698 /nfs/dbraw/zinc/43/76/98/444437698.db2.gz UBNJSMRYGOGKEE-RRFJBIMHSA-N 1 2 348.447 1.676 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)cn1C ZINC000579665940 321957762 /nfs/dbraw/zinc/95/77/62/321957762.db2.gz GVACNRIBVDCYCW-UHFFFAOYSA-N 1 2 339.399 1.401 20 30 EDEDLO CC(C)C(=O)N1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000331940994 444492346 /nfs/dbraw/zinc/49/23/46/444492346.db2.gz XUWWABMTVZRJSO-QAPCUYQASA-N 1 2 336.480 1.620 20 30 EDEDLO CC(C)C(=O)N1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000331940994 444492348 /nfs/dbraw/zinc/49/23/48/444492348.db2.gz XUWWABMTVZRJSO-QAPCUYQASA-N 1 2 336.480 1.620 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000329231895 444507517 /nfs/dbraw/zinc/50/75/17/444507517.db2.gz KZLYIYPRIJCFFW-HMDCTGQHSA-N 1 2 349.475 1.653 20 30 EDEDLO C[C@H](CCO)C1(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CCC1 ZINC000329243217 444510441 /nfs/dbraw/zinc/51/04/41/444510441.db2.gz SSONMAZKUQTKKN-ILXRZTDVSA-N 1 2 325.453 1.104 20 30 EDEDLO C[C@H](CCO)C1(CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCC1 ZINC000329243217 444510444 /nfs/dbraw/zinc/51/04/44/444510444.db2.gz SSONMAZKUQTKKN-ILXRZTDVSA-N 1 2 325.453 1.104 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CCCCNC2=O)CC1 ZINC000329255222 444513798 /nfs/dbraw/zinc/51/37/98/444513798.db2.gz DHQPDMHVHBZSHF-AWEZNQCLSA-N 1 2 331.420 1.935 20 30 EDEDLO O=C(C[NH+]1CCN(c2cncc3nncn32)CC1)NC1CCCCC1 ZINC000329320425 444534146 /nfs/dbraw/zinc/53/41/46/444534146.db2.gz UDNGCEFQPYHLLL-UHFFFAOYSA-N 1 2 343.435 1.536 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(OCCC)c2)CC1 ZINC000338144334 444534492 /nfs/dbraw/zinc/53/44/92/444534492.db2.gz WWUVHTMTSAATPX-UHFFFAOYSA-N 1 2 331.460 1.895 20 30 EDEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cccc(C#N)c1F ZINC000340889307 444560378 /nfs/dbraw/zinc/56/03/78/444560378.db2.gz GXLXXHDTOVKCIJ-UHFFFAOYSA-N 1 2 335.379 1.005 20 30 EDEDLO N#CCc1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000343765872 444575554 /nfs/dbraw/zinc/57/55/54/444575554.db2.gz NINJDSIVFDNYOE-ROUUACIJSA-N 1 2 348.468 1.921 20 30 EDEDLO N#CCc1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000343765872 444575557 /nfs/dbraw/zinc/57/55/57/444575557.db2.gz NINJDSIVFDNYOE-ROUUACIJSA-N 1 2 348.468 1.921 20 30 EDEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1CCO[C@H](C#N)C1)C1CCOCC1 ZINC000332898032 444590530 /nfs/dbraw/zinc/59/05/30/444590530.db2.gz VWLWRBZBWYNEFY-CABCVRRESA-N 1 2 347.419 1.305 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3cccc4cccnc43)C[C@@H]21 ZINC000329543066 444622081 /nfs/dbraw/zinc/62/20/81/444622081.db2.gz FDLCGPNLWXFNDA-JKSUJKDBSA-N 1 2 326.400 1.664 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3cccc4cccnc43)C[C@@H]21 ZINC000329543066 444622084 /nfs/dbraw/zinc/62/20/84/444622084.db2.gz FDLCGPNLWXFNDA-JKSUJKDBSA-N 1 2 326.400 1.664 20 30 EDEDLO N#CCC1(CS(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000329641052 444661819 /nfs/dbraw/zinc/66/18/19/444661819.db2.gz ZOWQVOGXSFNJEJ-UHFFFAOYSA-N 1 2 334.445 1.664 20 30 EDEDLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N[C@H]1CCOc2ccccc21 ZINC000329665301 444671732 /nfs/dbraw/zinc/67/17/32/444671732.db2.gz KJKGZFBCTWDZFC-HOCLYGCPSA-N 1 2 331.416 1.483 20 30 EDEDLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N[C@H]1CCOc2ccccc21 ZINC000329665301 444671735 /nfs/dbraw/zinc/67/17/35/444671735.db2.gz KJKGZFBCTWDZFC-HOCLYGCPSA-N 1 2 331.416 1.483 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000329688219 444680353 /nfs/dbraw/zinc/68/03/53/444680353.db2.gz ASBSGDUIOABREV-UONOGXRCSA-N 1 2 329.466 1.038 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000329688219 444680356 /nfs/dbraw/zinc/68/03/56/444680356.db2.gz ASBSGDUIOABREV-UONOGXRCSA-N 1 2 329.466 1.038 20 30 EDEDLO C[C@]1(NC(=O)CC2([NH+]3CCOCC3)CCCC2)CCS(=O)(=O)C1 ZINC000329760805 444706952 /nfs/dbraw/zinc/70/69/52/444706952.db2.gz QQWSYPMMWPZBIY-HNNXBMFYSA-N 1 2 344.477 1.555 20 30 EDEDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000329783679 444715529 /nfs/dbraw/zinc/71/55/29/444715529.db2.gz VHHINQMDAACDBK-KSZLIROESA-N 1 2 345.443 1.837 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000329739566 444697599 /nfs/dbraw/zinc/69/75/99/444697599.db2.gz NLQQURXLOFVDES-GGZOMVNGSA-N 1 2 332.326 1.569 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000329739566 444697602 /nfs/dbraw/zinc/69/76/02/444697602.db2.gz NLQQURXLOFVDES-GGZOMVNGSA-N 1 2 332.326 1.569 20 30 EDEDLO CC(C)(C)CC[NH+]1CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000329856854 444742043 /nfs/dbraw/zinc/74/20/43/444742043.db2.gz VAKXAGXSWZZKMO-CQSZACIVSA-N 1 2 345.509 1.531 20 30 EDEDLO CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329909026 444763260 /nfs/dbraw/zinc/76/32/60/444763260.db2.gz URRHNWPYIBUCPZ-OAHLLOKOSA-N 1 2 337.464 1.845 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(N4CCCC4)nc3)C[C@H]21 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HLWKDTLUDUFNSP-PCKAHOCUSA-N 1 2 336.480 1.718 20 30 EDEDLO C[C@@H](C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1)CS(C)(=O)=O ZINC000336872839 444818040 /nfs/dbraw/zinc/81/80/40/444818040.db2.gz QUSSLZPNAGNHFK-HNNXBMFYSA-N 1 2 335.473 1.357 20 30 EDEDLO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)Nc1nc2c(s1)CCC2 ZINC000330132733 444856317 /nfs/dbraw/zinc/85/63/17/444856317.db2.gz QPTONLBFIQYWDJ-ZYHUDNBSSA-N 1 2 325.434 1.692 20 30 EDEDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)Nc1nc2c(s1)CCC2 ZINC000330132733 444856322 /nfs/dbraw/zinc/85/63/22/444856322.db2.gz QPTONLBFIQYWDJ-ZYHUDNBSSA-N 1 2 325.434 1.692 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)Nc1ccnn1C[C@H]1CCOC1 ZINC000330165793 444869521 /nfs/dbraw/zinc/86/95/21/444869521.db2.gz XHNYLAQDZAHIOB-CYBMUJFWSA-N 1 2 344.419 1.979 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)n1cnc(C#N)n1 ZINC000336953179 444871978 /nfs/dbraw/zinc/87/19/78/444871978.db2.gz WLJUSMJQTJIIDJ-JTQLQIEISA-N 1 2 325.307 1.674 20 30 EDEDLO C=CCCOCCCCC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000342829286 444883025 /nfs/dbraw/zinc/88/30/25/444883025.db2.gz CYYCYGHOCHVMQV-GOSISDBHSA-N 1 2 337.508 1.988 20 30 EDEDLO CNC(=O)c1cccc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)c1C ZINC000330398413 444966079 /nfs/dbraw/zinc/96/60/79/444966079.db2.gz HVMXXSONUDXARZ-LBPRGKRZSA-N 1 2 334.420 1.976 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC(F)(F)C3)CC2)cn1 ZINC000330307953 444930953 /nfs/dbraw/zinc/93/09/53/444930953.db2.gz SMEOLGIIYMNXOV-CYBMUJFWSA-N 1 2 341.406 1.887 20 30 EDEDLO Cc1nnc([C@@H]2CN(C(=O)NCc3ccc(N(C)C)[nH+]c3)CCO2)[nH]1 ZINC000330308398 444931342 /nfs/dbraw/zinc/93/13/42/444931342.db2.gz SROPTKNMBCOANP-ZDUSSCGKSA-N 1 2 345.407 1.062 20 30 EDEDLO Cc1nc([C@@H]2CN(C(=O)NCc3ccc(N(C)C)[nH+]c3)CCO2)n[nH]1 ZINC000330308398 444931347 /nfs/dbraw/zinc/93/13/47/444931347.db2.gz SROPTKNMBCOANP-ZDUSSCGKSA-N 1 2 345.407 1.062 20 30 EDEDLO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000330464628 444991824 /nfs/dbraw/zinc/99/18/24/444991824.db2.gz VESDCPFAGDDZSX-CQSZACIVSA-N 1 2 334.807 1.751 20 30 EDEDLO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000330464628 444991828 /nfs/dbraw/zinc/99/18/28/444991828.db2.gz VESDCPFAGDDZSX-CQSZACIVSA-N 1 2 334.807 1.751 20 30 EDEDLO COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC(C)(C)O1 ZINC000330514991 445013760 /nfs/dbraw/zinc/01/37/60/445013760.db2.gz DMYVSJADPTWLMY-GRDNDAEWSA-N 1 2 325.453 1.555 20 30 EDEDLO COC[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC(C)(C)O1 ZINC000330514991 445013763 /nfs/dbraw/zinc/01/37/63/445013763.db2.gz DMYVSJADPTWLMY-GRDNDAEWSA-N 1 2 325.453 1.555 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)NC(=O)NCC(C)C ZINC000330592524 445051282 /nfs/dbraw/zinc/05/12/82/445051282.db2.gz VYTDPDQDRDSRBZ-RBSFLKMASA-N 1 2 341.452 1.189 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)NC(=O)NCC(C)C ZINC000330592524 445051284 /nfs/dbraw/zinc/05/12/84/445051284.db2.gz VYTDPDQDRDSRBZ-RBSFLKMASA-N 1 2 341.452 1.189 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)NC(=O)NCC(C)C ZINC000330592523 445051305 /nfs/dbraw/zinc/05/13/05/445051305.db2.gz VYTDPDQDRDSRBZ-QLFBSQMISA-N 1 2 341.452 1.189 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)NC(=O)NCC(C)C ZINC000330592523 445051307 /nfs/dbraw/zinc/05/13/07/445051307.db2.gz VYTDPDQDRDSRBZ-QLFBSQMISA-N 1 2 341.452 1.189 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330591844 445051669 /nfs/dbraw/zinc/05/16/69/445051669.db2.gz VRUXWXOLJWTANW-KONPQCLYSA-N 1 2 337.464 1.557 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330591844 445051672 /nfs/dbraw/zinc/05/16/72/445051672.db2.gz VRUXWXOLJWTANW-KONPQCLYSA-N 1 2 337.464 1.557 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337422661 445073051 /nfs/dbraw/zinc/07/30/51/445073051.db2.gz VGHZQJYWXKSODR-LSDHHAIUSA-N 1 2 330.494 1.699 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337422661 445073054 /nfs/dbraw/zinc/07/30/54/445073054.db2.gz VGHZQJYWXKSODR-LSDHHAIUSA-N 1 2 330.494 1.699 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](Cc2cccnc2)CC1 ZINC000330651137 445079308 /nfs/dbraw/zinc/07/93/08/445079308.db2.gz MDHPZMSRDZGFRT-VQIMIIECSA-N 1 2 343.475 1.642 20 30 EDEDLO CC[C@]1(C)COCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000330657262 445083341 /nfs/dbraw/zinc/08/33/41/445083341.db2.gz VRIUDXOYEMSVAV-FUHWJXTLSA-N 1 2 336.480 1.180 20 30 EDEDLO CC[C@]1(C)COCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000330657262 445083342 /nfs/dbraw/zinc/08/33/42/445083342.db2.gz VRIUDXOYEMSVAV-FUHWJXTLSA-N 1 2 336.480 1.180 20 30 EDEDLO CCCNC(=O)C[N@H+](CCC)CC(=O)NCc1cccc(C#N)c1 ZINC000339431657 445139409 /nfs/dbraw/zinc/13/94/09/445139409.db2.gz RTXAIOPEXJXRQA-UHFFFAOYSA-N 1 2 330.432 1.413 20 30 EDEDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)NCc1cccc(C#N)c1 ZINC000339431657 445139412 /nfs/dbraw/zinc/13/94/12/445139412.db2.gz RTXAIOPEXJXRQA-UHFFFAOYSA-N 1 2 330.432 1.413 20 30 EDEDLO C[C@H](C(=O)N(C)C[C@H](C)C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000330696867 445101191 /nfs/dbraw/zinc/10/11/91/445101191.db2.gz KGDMGOTUNWRYGY-HUUCEWRRSA-N 1 2 332.423 1.954 20 30 EDEDLO CCN(C(=O)NCc1cn2c([nH+]1)CCCC2)[C@H](C)CS(C)(=O)=O ZINC000330708885 445105416 /nfs/dbraw/zinc/10/54/16/445105416.db2.gz NZRGFSKYJXIVJQ-GFCCVEGCSA-N 1 2 342.465 1.388 20 30 EDEDLO CO[C@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000344652978 445106813 /nfs/dbraw/zinc/10/68/13/445106813.db2.gz GFLUXHJYCZZELU-HOTGVXAUSA-N 1 2 327.388 1.826 20 30 EDEDLO CO[C@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000344652978 445106816 /nfs/dbraw/zinc/10/68/16/445106816.db2.gz GFLUXHJYCZZELU-HOTGVXAUSA-N 1 2 327.388 1.826 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337503771 445108555 /nfs/dbraw/zinc/10/85/55/445108555.db2.gz DDZLARLZVXCBPD-YCPHGPKFSA-N 1 2 343.493 1.328 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337503771 445108559 /nfs/dbraw/zinc/10/85/59/445108559.db2.gz DDZLARLZVXCBPD-YCPHGPKFSA-N 1 2 343.493 1.328 20 30 EDEDLO CNC(=O)c1ccc(C)c(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000330754301 445126717 /nfs/dbraw/zinc/12/67/17/445126717.db2.gz YGWCHGRKDOXXKJ-CQSZACIVSA-N 1 2 333.436 1.501 20 30 EDEDLO CNC(=O)c1ccc(C)c(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000330754301 445126721 /nfs/dbraw/zinc/12/67/21/445126721.db2.gz YGWCHGRKDOXXKJ-CQSZACIVSA-N 1 2 333.436 1.501 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330853395 445166915 /nfs/dbraw/zinc/16/69/15/445166915.db2.gz GMEYSJQZEAEXMA-XBFCOCLRSA-N 1 2 335.370 1.819 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330853395 445166930 /nfs/dbraw/zinc/16/69/30/445166930.db2.gz GMEYSJQZEAEXMA-XBFCOCLRSA-N 1 2 335.370 1.819 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(NC(C)=O)c2)CC1 ZINC000337624697 445174902 /nfs/dbraw/zinc/17/49/02/445174902.db2.gz JJBJNYAIZGFRCA-UHFFFAOYSA-N 1 2 330.432 1.065 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(NC(C)=O)c2)CC1 ZINC000337624697 445174904 /nfs/dbraw/zinc/17/49/04/445174904.db2.gz JJBJNYAIZGFRCA-UHFFFAOYSA-N 1 2 330.432 1.065 20 30 EDEDLO C[N@H+](Cc1ccc(C#N)cc1Br)[C@]1(CO)CCOC1 ZINC000330909531 445189962 /nfs/dbraw/zinc/18/99/62/445189962.db2.gz URVWYTSPACGENK-AWEZNQCLSA-N 1 2 325.206 1.904 20 30 EDEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@]1(CO)CCOC1 ZINC000330909531 445189965 /nfs/dbraw/zinc/18/99/65/445189965.db2.gz URVWYTSPACGENK-AWEZNQCLSA-N 1 2 325.206 1.904 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCSC[C@@H]2CO)cc1Cl ZINC000330813443 445150680 /nfs/dbraw/zinc/15/06/80/445150680.db2.gz CJKGARKCXSFWKQ-LBPRGKRZSA-N 1 2 325.821 1.560 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCSC[C@@H]2CO)cc1Cl ZINC000330813443 445150682 /nfs/dbraw/zinc/15/06/82/445150682.db2.gz CJKGARKCXSFWKQ-LBPRGKRZSA-N 1 2 325.821 1.560 20 30 EDEDLO C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000346307283 445211474 /nfs/dbraw/zinc/21/14/74/445211474.db2.gz PWNUUPVNIRPYBA-XYJFISCASA-N 1 2 329.444 1.984 20 30 EDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000346358209 445212413 /nfs/dbraw/zinc/21/24/13/445212413.db2.gz HBQQPEQTUFBCBP-KFNAQCHYSA-N 1 2 329.404 1.281 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000346691783 445223302 /nfs/dbraw/zinc/22/33/02/445223302.db2.gz WHSVDSQTFFVHSA-UZMCECQYSA-N 1 2 326.400 1.471 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000346691783 445223304 /nfs/dbraw/zinc/22/33/04/445223304.db2.gz WHSVDSQTFFVHSA-UZMCECQYSA-N 1 2 326.400 1.471 20 30 EDEDLO COc1cc(F)ccc1N1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000347056785 445230455 /nfs/dbraw/zinc/23/04/55/445230455.db2.gz POHZOGUCQCJEIV-UHFFFAOYSA-N 1 2 346.406 1.519 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348365783 445268400 /nfs/dbraw/zinc/26/84/00/445268400.db2.gz PGLFCQADKJWBIO-LSDHHAIUSA-N 1 2 332.452 1.096 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1CNC(=O)c1cc(C#N)cs1 ZINC000351650010 445257905 /nfs/dbraw/zinc/25/79/05/445257905.db2.gz WAARGPJUZSOEKA-OLZOCXBDSA-N 1 2 347.419 1.696 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1CNC(=O)c1cc(C#N)cs1 ZINC000351650011 445257975 /nfs/dbraw/zinc/25/79/75/445257975.db2.gz WAARGPJUZSOEKA-QWHCGFSZSA-N 1 2 347.419 1.696 20 30 EDEDLO N#Cc1ccnc(NCc2[nH+]ccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000348349145 445264473 /nfs/dbraw/zinc/26/44/73/445264473.db2.gz LJZKCKUOGAHRDH-UHFFFAOYSA-N 1 2 326.238 2.232 20 30 EDEDLO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nnc2ccccn21 ZINC000348195016 445312393 /nfs/dbraw/zinc/31/23/93/445312393.db2.gz VOZFAADIURGEQS-CYBMUJFWSA-N 1 2 334.383 1.568 20 30 EDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000359652744 445358280 /nfs/dbraw/zinc/35/82/80/445358280.db2.gz XSPOPSVAGQPYNP-LSDHHAIUSA-N 1 2 329.404 1.410 20 30 EDEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000362592502 445453922 /nfs/dbraw/zinc/45/39/22/445453922.db2.gz NJVFTTYHAIKFNB-CYBMUJFWSA-N 1 2 330.432 1.409 20 30 EDEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000362592502 445453928 /nfs/dbraw/zinc/45/39/28/445453928.db2.gz NJVFTTYHAIKFNB-CYBMUJFWSA-N 1 2 330.432 1.409 20 30 EDEDLO CCOC(=O)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000359843805 445456441 /nfs/dbraw/zinc/45/64/41/445456441.db2.gz RXKGAZMMUIHGNZ-RDJZCZTQSA-N 1 2 332.400 1.885 20 30 EDEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000362614749 445464555 /nfs/dbraw/zinc/46/45/55/445464555.db2.gz HPZHVMJPUJXOSJ-GOSISDBHSA-N 1 2 325.412 1.943 20 30 EDEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000362614749 445464560 /nfs/dbraw/zinc/46/45/60/445464560.db2.gz HPZHVMJPUJXOSJ-GOSISDBHSA-N 1 2 325.412 1.943 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000352515904 445534842 /nfs/dbraw/zinc/53/48/42/445534842.db2.gz ITXZPRLLXMFBHQ-DLBZAZTESA-N 1 2 342.505 1.539 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000362798207 445554820 /nfs/dbraw/zinc/55/48/20/445554820.db2.gz PFPHWITYRPVJQL-LESCRADOSA-N 1 2 345.443 1.904 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)C1CC1 ZINC000352669803 445547493 /nfs/dbraw/zinc/54/74/93/445547493.db2.gz BSRKXUPOVAETRX-ZKYQVNSYSA-N 1 2 333.354 1.288 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)C1CC1 ZINC000352669803 445547498 /nfs/dbraw/zinc/54/74/98/445547498.db2.gz BSRKXUPOVAETRX-ZKYQVNSYSA-N 1 2 333.354 1.288 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000353549391 445652536 /nfs/dbraw/zinc/65/25/36/445652536.db2.gz NWLQMPIMLQYWGT-UHFFFAOYSA-N 1 2 342.378 1.781 20 30 EDEDLO CCCN(CCC)C(=O)C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349906663 445718023 /nfs/dbraw/zinc/71/80/23/445718023.db2.gz GUAOPASJPMZDJR-UHFFFAOYSA-N 1 2 346.479 1.371 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000361298393 445758974 /nfs/dbraw/zinc/75/89/74/445758974.db2.gz KPQATVJJXSFJNO-OAHLLOKOSA-N 1 2 325.453 1.027 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000361298393 445758978 /nfs/dbraw/zinc/75/89/78/445758978.db2.gz KPQATVJJXSFJNO-OAHLLOKOSA-N 1 2 325.453 1.027 20 30 EDEDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000365963349 445931924 /nfs/dbraw/zinc/93/19/24/445931924.db2.gz QAAUMOIXYGEAOJ-WFASDCNBSA-N 1 2 337.420 1.945 20 30 EDEDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1ccc(F)cc1C#N ZINC000365963349 445931927 /nfs/dbraw/zinc/93/19/27/445931927.db2.gz QAAUMOIXYGEAOJ-WFASDCNBSA-N 1 2 337.420 1.945 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000583190404 326021296 /nfs/dbraw/zinc/02/12/96/326021296.db2.gz SIGSINUTFBXOJF-GFCCVEGCSA-N 1 2 349.818 1.826 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000583190404 326021297 /nfs/dbraw/zinc/02/12/97/326021297.db2.gz SIGSINUTFBXOJF-GFCCVEGCSA-N 1 2 349.818 1.826 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000351498870 446104562 /nfs/dbraw/zinc/10/45/62/446104562.db2.gz WKMVAXBNYLQWOX-CVEARBPZSA-N 1 2 341.390 1.634 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2OC)C[C@@H]1C ZINC000361962934 446111063 /nfs/dbraw/zinc/11/10/63/446111063.db2.gz RIORWZPGCPHSCV-STQMWFEESA-N 1 2 337.445 1.670 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2OC)C[C@@H]1C ZINC000361962934 446111068 /nfs/dbraw/zinc/11/10/68/446111068.db2.gz RIORWZPGCPHSCV-STQMWFEESA-N 1 2 337.445 1.670 20 30 EDEDLO Cc1nnc([C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)o1 ZINC000373291128 446146865 /nfs/dbraw/zinc/14/68/65/446146865.db2.gz KESASBRZSGBWNP-OAHLLOKOSA-N 1 2 341.371 1.652 20 30 EDEDLO Cc1nnc([C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)o1 ZINC000373291128 446146869 /nfs/dbraw/zinc/14/68/69/446146869.db2.gz KESASBRZSGBWNP-OAHLLOKOSA-N 1 2 341.371 1.652 20 30 EDEDLO C[N@H+]([C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCCNC1=O ZINC000365559840 446254993 /nfs/dbraw/zinc/25/49/93/446254993.db2.gz KJYUKEOSCKWQSB-SJORKVTESA-N 1 2 340.427 1.654 20 30 EDEDLO C[N@@H+]([C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCCNC1=O ZINC000365559840 446254994 /nfs/dbraw/zinc/25/49/94/446254994.db2.gz KJYUKEOSCKWQSB-SJORKVTESA-N 1 2 340.427 1.654 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@]2(CO)CCOC2)c1C ZINC000359601955 446314139 /nfs/dbraw/zinc/31/41/39/446314139.db2.gz OZCXGLPFAIPJCX-IBGZPJMESA-N 1 2 345.443 1.633 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@]2(CO)CCOC2)c1C ZINC000359601955 446314143 /nfs/dbraw/zinc/31/41/43/446314143.db2.gz OZCXGLPFAIPJCX-IBGZPJMESA-N 1 2 345.443 1.633 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000366698466 446314946 /nfs/dbraw/zinc/31/49/46/446314946.db2.gz FZYVMCQLRYWVCG-MRXNPFEDSA-N 1 2 346.452 1.319 20 30 EDEDLO N#CC1(c2ccccn2)CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000374355181 446364856 /nfs/dbraw/zinc/36/48/56/446364856.db2.gz QRUHNPHVXLHQIY-UHFFFAOYSA-N 1 2 338.415 1.935 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000374355425 446364954 /nfs/dbraw/zinc/36/49/54/446364954.db2.gz XYCLACQEPYJEKL-KUHUBIRLSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000374355425 446364958 /nfs/dbraw/zinc/36/49/58/446364958.db2.gz XYCLACQEPYJEKL-KUHUBIRLSA-N 1 2 334.379 1.936 20 30 EDEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000411138320 446408269 /nfs/dbraw/zinc/40/82/69/446408269.db2.gz QAENRTGGSHNFRF-ZDUSSCGKSA-N 1 2 335.473 1.862 20 30 EDEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000411138320 446408275 /nfs/dbraw/zinc/40/82/75/446408275.db2.gz QAENRTGGSHNFRF-ZDUSSCGKSA-N 1 2 335.473 1.862 20 30 EDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)CCC2 ZINC000367611801 446566360 /nfs/dbraw/zinc/56/63/60/446566360.db2.gz GGXCBKOZHLMTJR-CQSZACIVSA-N 1 2 341.419 2.309 20 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/nfs/dbraw/zinc/70/41/22/447704122.db2.gz ARVMXWCXGCDURK-UHFFFAOYSA-N 1 2 326.400 1.312 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257084 447714595 /nfs/dbraw/zinc/71/45/95/447714595.db2.gz GAWOYEDSMCRZOP-YTQUADARSA-N 1 2 347.434 1.841 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451257084 447714598 /nfs/dbraw/zinc/71/45/98/447714598.db2.gz GAWOYEDSMCRZOP-YTQUADARSA-N 1 2 347.434 1.841 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1)C1CC1 ZINC000451275422 447721049 /nfs/dbraw/zinc/72/10/49/447721049.db2.gz YIGOTXZMZMJSJU-QXAKKESOSA-N 1 2 345.418 1.595 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1)C1CC1 ZINC000451275422 447721053 /nfs/dbraw/zinc/72/10/53/447721053.db2.gz YIGOTXZMZMJSJU-QXAKKESOSA-N 1 2 345.418 1.595 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)CC(C)(C)CC#N ZINC000451530659 447737735 /nfs/dbraw/zinc/73/77/35/447737735.db2.gz 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447901083 /nfs/dbraw/zinc/90/10/83/447901083.db2.gz JXNSGYXAPHTXAF-UHFFFAOYSA-N 1 2 329.444 1.295 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000552227415 447941223 /nfs/dbraw/zinc/94/12/23/447941223.db2.gz BZLGREATRJLCSH-LLVKDONJSA-N 1 2 334.401 1.365 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000491167783 447947197 /nfs/dbraw/zinc/94/71/97/447947197.db2.gz ZECKDUHXBBPCEJ-UHFFFAOYSA-N 1 2 337.370 1.155 20 30 EDEDLO C#CCNC(=O)C1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000491141571 447935231 /nfs/dbraw/zinc/93/52/31/447935231.db2.gz BDQPAQMNKYSDRL-UHFFFAOYSA-N 1 2 338.411 1.333 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC(F)(F)F)n2CC(C)C)CC1 ZINC000491663148 448078657 /nfs/dbraw/zinc/07/86/57/448078657.db2.gz CUXMOMSGYZVJGO-UHFFFAOYSA-N 1 2 329.370 1.794 20 30 EDEDLO N#Cc1cc(NCc2cccc(OCC[NH+]3CCOCC3)c2)ncn1 ZINC000526265959 448110457 /nfs/dbraw/zinc/11/04/57/448110457.db2.gz IGHUTOOEOFQKIM-UHFFFAOYSA-N 1 2 339.399 1.671 20 30 EDEDLO 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/nfs/dbraw/zinc/23/50/09/448235009.db2.gz SLBRYZMNJALKKF-MRXNPFEDSA-N 1 2 331.416 1.397 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)CCC1 ZINC000560265381 448213190 /nfs/dbraw/zinc/21/31/90/448213190.db2.gz WJPZOOHJAZGJGC-CRAIPNDOSA-N 1 2 331.391 1.349 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)CCC1 ZINC000560265381 448213196 /nfs/dbraw/zinc/21/31/96/448213196.db2.gz WJPZOOHJAZGJGC-CRAIPNDOSA-N 1 2 331.391 1.349 20 30 EDEDLO CC(C)C(=O)Nc1nc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cs1 ZINC000577283438 448258189 /nfs/dbraw/zinc/25/81/89/448258189.db2.gz XHBZQCZMXQJXFK-OAHLLOKOSA-N 1 2 337.449 1.240 20 30 EDEDLO CC(C)(C)c1nnc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[nH]1 ZINC000516453181 448422403 /nfs/dbraw/zinc/42/24/03/448422403.db2.gz CTZPBYLRQLYDAT-UHFFFAOYSA-N 1 2 347.444 1.537 20 30 EDEDLO C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000584327511 448482348 /nfs/dbraw/zinc/48/23/48/448482348.db2.gz OGXIEWMJUHEKPA-CABCVRRESA-N 1 2 345.447 1.661 20 30 EDEDLO CC[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000528376580 448504236 /nfs/dbraw/zinc/50/42/36/448504236.db2.gz BPIYUWUKFKSBPV-GJZGRUSLSA-N 1 2 326.396 1.785 20 30 EDEDLO CC[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H](C)O1 ZINC000528376580 448504240 /nfs/dbraw/zinc/50/42/40/448504240.db2.gz BPIYUWUKFKSBPV-GJZGRUSLSA-N 1 2 326.396 1.785 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)C[C@@H]21 ZINC000516960894 448509385 /nfs/dbraw/zinc/50/93/85/448509385.db2.gz WTPSXHFKFSSVER-FGTMMUONSA-N 1 2 340.427 1.660 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)C[C@@H]21 ZINC000516960894 448509390 /nfs/dbraw/zinc/50/93/90/448509390.db2.gz WTPSXHFKFSSVER-FGTMMUONSA-N 1 2 340.427 1.660 20 30 EDEDLO COC[C@H]1C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 ZINC000528473505 448543078 /nfs/dbraw/zinc/54/30/78/448543078.db2.gz ONEYBNBDFHTSHM-HUUCEWRRSA-N 1 2 342.395 1.022 20 30 EDEDLO COC[C@H]1C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 ZINC000528473505 448543081 /nfs/dbraw/zinc/54/30/81/448543081.db2.gz ONEYBNBDFHTSHM-HUUCEWRRSA-N 1 2 342.395 1.022 20 30 EDEDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000528738773 448654896 /nfs/dbraw/zinc/65/48/96/448654896.db2.gz QLIZYLDRJMNHGG-UHFFFAOYSA-N 1 2 348.834 1.382 20 30 EDEDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000528738773 448654898 /nfs/dbraw/zinc/65/48/98/448654898.db2.gz QLIZYLDRJMNHGG-UHFFFAOYSA-N 1 2 348.834 1.382 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)C1=O ZINC000528786274 448675713 /nfs/dbraw/zinc/67/57/13/448675713.db2.gz VXXGZJBIJKFPOT-OSGAEKNLSA-N 1 2 349.481 1.710 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)C1=O ZINC000528786274 448675718 /nfs/dbraw/zinc/67/57/18/448675718.db2.gz VXXGZJBIJKFPOT-OSGAEKNLSA-N 1 2 349.481 1.710 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000567421685 448689998 /nfs/dbraw/zinc/68/99/98/448689998.db2.gz UASAUMZSPRUIJM-CQSZACIVSA-N 1 2 339.403 1.070 20 30 EDEDLO N#CCC(=O)N1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000518560229 448692213 /nfs/dbraw/zinc/69/22/13/448692213.db2.gz VNHXJGTXYDTXMH-UHFFFAOYSA-N 1 2 344.806 1.479 20 30 EDEDLO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)c(O)c(F)c2)c1C#N ZINC000545166284 448776054 /nfs/dbraw/zinc/77/60/54/448776054.db2.gz PFLOUVZLEOEZEG-UHFFFAOYSA-N 1 2 335.314 1.669 20 30 EDEDLO COCc1ccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1C#N ZINC000529206388 448788587 /nfs/dbraw/zinc/78/85/87/448788587.db2.gz VVRCTOXMQQXTHC-IAGOWNOFSA-N 1 2 344.415 1.641 20 30 EDEDLO COCc1ccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1C#N ZINC000529206388 448788590 /nfs/dbraw/zinc/78/85/90/448788590.db2.gz VVRCTOXMQQXTHC-IAGOWNOFSA-N 1 2 344.415 1.641 20 30 EDEDLO COCc1ccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1C#N ZINC000529206389 448788639 /nfs/dbraw/zinc/78/86/39/448788639.db2.gz VVRCTOXMQQXTHC-IRXDYDNUSA-N 1 2 344.415 1.641 20 30 EDEDLO COCc1ccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1C#N ZINC000529206389 448788644 /nfs/dbraw/zinc/78/86/44/448788644.db2.gz VVRCTOXMQQXTHC-IRXDYDNUSA-N 1 2 344.415 1.641 20 30 EDEDLO COCc1ccc(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1C#N ZINC000529213740 448792628 /nfs/dbraw/zinc/79/26/28/448792628.db2.gz PWQGMGJAWWITBH-KBPBESRZSA-N 1 2 346.431 1.935 20 30 EDEDLO N#C[C@H]1CSCCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000546085969 448820885 /nfs/dbraw/zinc/82/08/85/448820885.db2.gz PUXFHACUDPPHOV-AWEZNQCLSA-N 1 2 348.453 1.561 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC(C)(C(N)=O)C2)c1 ZINC000568506527 448881494 /nfs/dbraw/zinc/88/14/94/448881494.db2.gz ZCQCONZWRGJCBU-OAHLLOKOSA-N 1 2 342.443 1.746 20 30 EDEDLO Cc1cc2ccc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cn2c1 ZINC000588382434 448901942 /nfs/dbraw/zinc/90/19/42/448901942.db2.gz JEAYXYRCCVVTKH-UHFFFAOYSA-N 1 2 340.427 1.936 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000548319924 449019345 /nfs/dbraw/zinc/01/93/45/449019345.db2.gz KLHCIQYNLFRFPW-OAHLLOKOSA-N 1 2 339.399 1.935 20 30 EDEDLO CCNC(=O)C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595726473 449133612 /nfs/dbraw/zinc/13/36/12/449133612.db2.gz OIHZWKCQUWXCLJ-UHFFFAOYSA-N 1 2 338.415 1.206 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)C1=O ZINC000595728799 449134449 /nfs/dbraw/zinc/13/44/49/449134449.db2.gz PCJMAYAVYKGRKW-MJBXVCDLSA-N 1 2 344.440 1.326 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)C1=O ZINC000595728799 449134452 /nfs/dbraw/zinc/13/44/52/449134452.db2.gz PCJMAYAVYKGRKW-MJBXVCDLSA-N 1 2 344.440 1.326 20 30 EDEDLO CCn1cc[nH+]c1CNC(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595646891 449096427 /nfs/dbraw/zinc/09/64/27/449096427.db2.gz OHJXWWHOFNUJFA-UHFFFAOYSA-N 1 2 344.444 1.868 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1cccc(C#N)c1)C(C)(C)CO ZINC000597844933 449119643 /nfs/dbraw/zinc/11/96/43/449119643.db2.gz CXKMGRXRISPEFS-MRXNPFEDSA-N 1 2 326.400 1.710 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC(=O)N(C)CC1 ZINC000595780960 449162146 /nfs/dbraw/zinc/16/21/46/449162146.db2.gz DXSPHIUOFBYJFS-LLVKDONJSA-N 1 2 334.807 1.703 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC(=O)N(C)CC1 ZINC000595780960 449162150 /nfs/dbraw/zinc/16/21/50/449162150.db2.gz DXSPHIUOFBYJFS-LLVKDONJSA-N 1 2 334.807 1.703 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000597939533 449150311 /nfs/dbraw/zinc/15/03/11/449150311.db2.gz UDIPCEMLKJKJJE-CHWSQXEVSA-N 1 2 341.440 1.806 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H](C)CO1 ZINC000597992136 449176343 /nfs/dbraw/zinc/17/63/43/449176343.db2.gz AWAKINPUTBUBDL-LSDHHAIUSA-N 1 2 327.428 1.815 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H](C)CO1 ZINC000597992136 449176349 /nfs/dbraw/zinc/17/63/49/449176349.db2.gz AWAKINPUTBUBDL-LSDHHAIUSA-N 1 2 327.428 1.815 20 30 EDEDLO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595834701 449197368 /nfs/dbraw/zinc/19/73/68/449197368.db2.gz KXKAEVBWOAWMBD-INIZCTEOSA-N 1 2 337.445 1.551 20 30 EDEDLO CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595834701 449197373 /nfs/dbraw/zinc/19/73/73/449197373.db2.gz KXKAEVBWOAWMBD-INIZCTEOSA-N 1 2 337.445 1.551 20 30 EDEDLO CCOC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835503 449197683 /nfs/dbraw/zinc/19/76/83/449197683.db2.gz RXIQOHUGDSOYCO-YJBOKZPZSA-N 1 2 332.400 1.839 20 30 EDEDLO CCOC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835503 449197685 /nfs/dbraw/zinc/19/76/85/449197685.db2.gz RXIQOHUGDSOYCO-YJBOKZPZSA-N 1 2 332.400 1.839 20 30 EDEDLO Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611174833 449200636 /nfs/dbraw/zinc/20/06/36/449200636.db2.gz RARWOKPHKXVPEP-QGZVFWFLSA-N 1 2 328.460 1.574 20 30 EDEDLO Cc1cc(N2CCC[C@@](C)(O)C2)c(C#N)c(N2CCC[C@@](C)(O)C2)[nH+]1 ZINC000590582768 449201341 /nfs/dbraw/zinc/20/13/41/449201341.db2.gz UPCWKLGNTYRHPZ-RTBURBONSA-N 1 2 344.459 1.964 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000593303690 449215772 /nfs/dbraw/zinc/21/57/72/449215772.db2.gz BKTOSVMFYPQSEP-UHFFFAOYSA-N 1 2 346.431 1.048 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000611213752 449218975 /nfs/dbraw/zinc/21/89/75/449218975.db2.gz CHNVDANHWDRBAZ-KSSFIOAISA-N 1 2 335.411 1.924 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000611213752 449218979 /nfs/dbraw/zinc/21/89/79/449218979.db2.gz CHNVDANHWDRBAZ-KSSFIOAISA-N 1 2 335.411 1.924 20 30 EDEDLO N#Cc1ccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)nn1 ZINC000611240860 449233281 /nfs/dbraw/zinc/23/32/81/449233281.db2.gz KLCMGTQTSVBZDF-INIZCTEOSA-N 1 2 343.818 1.857 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N([C@@H](C)C#N)C1CC1 ZINC000598135324 449252835 /nfs/dbraw/zinc/25/28/35/449252835.db2.gz SKZWNPGJXVPFCZ-SWLSCSKDSA-N 1 2 331.420 1.386 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N([C@@H](C)C#N)C1CC1 ZINC000598135324 449252840 /nfs/dbraw/zinc/25/28/40/449252840.db2.gz SKZWNPGJXVPFCZ-SWLSCSKDSA-N 1 2 331.420 1.386 20 30 EDEDLO N#Cc1cccc2c1CN(C(=O)NCC1([NH+]3CCOCC3)CC1)C2 ZINC000593395649 449261992 /nfs/dbraw/zinc/26/19/92/449261992.db2.gz CNDSVSKYSFCFMQ-UHFFFAOYSA-N 1 2 326.400 1.448 20 30 EDEDLO Cc1cccn2cc(CCNS(=O)(=O)CC3(CC#N)CC3)[nH+]c12 ZINC000590748690 449268490 /nfs/dbraw/zinc/26/84/90/449268490.db2.gz NQMATJKAMPFKCE-UHFFFAOYSA-N 1 2 332.429 1.799 20 30 EDEDLO CCC[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611225580 449225579 /nfs/dbraw/zinc/22/55/79/449225579.db2.gz GYAVQUAOTLOGFK-DOTOQJQBSA-N 1 2 331.416 1.093 20 30 EDEDLO CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611225580 449225581 /nfs/dbraw/zinc/22/55/81/449225581.db2.gz GYAVQUAOTLOGFK-DOTOQJQBSA-N 1 2 331.416 1.093 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000594010478 449321519 /nfs/dbraw/zinc/32/15/19/449321519.db2.gz KMCVQXQBCVFABL-SNVBAGLBSA-N 1 2 333.783 1.536 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000596062086 449342510 /nfs/dbraw/zinc/34/25/10/449342510.db2.gz HMNUDALSRJTKPM-UHFFFAOYSA-N 1 2 343.387 1.199 20 30 EDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(n2cnc(C(=O)OCC)c2N)CC1 ZINC000590957506 449358954 /nfs/dbraw/zinc/35/89/54/449358954.db2.gz CDHJDYNUTHFBGS-LBPRGKRZSA-N 1 2 336.392 1.007 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCSC[C@H]2C#N)cc1 ZINC000602133219 449371065 /nfs/dbraw/zinc/37/10/65/449371065.db2.gz PWQUEMYRTMPYSL-GDBMZVCRSA-N 1 2 331.441 1.737 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCSC[C@H]2C#N)cc1 ZINC000602133219 449371067 /nfs/dbraw/zinc/37/10/67/449371067.db2.gz PWQUEMYRTMPYSL-GDBMZVCRSA-N 1 2 331.441 1.737 20 30 EDEDLO CC[N@@H+](Cc1cn(C)nn1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611693157 449385168 /nfs/dbraw/zinc/38/51/68/449385168.db2.gz DRZIBOFXVAQUMF-INIZCTEOSA-N 1 2 329.404 1.143 20 30 EDEDLO CC[N@H+](Cc1cn(C)nn1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000611693157 449385172 /nfs/dbraw/zinc/38/51/72/449385172.db2.gz DRZIBOFXVAQUMF-INIZCTEOSA-N 1 2 329.404 1.143 20 30 EDEDLO Cc1ccc(C#N)nc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000596157278 449387936 /nfs/dbraw/zinc/38/79/36/449387936.db2.gz SAVUGWQONAAAGK-HNNXBMFYSA-N 1 2 327.432 1.395 20 30 EDEDLO COC(=O)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@H]1CCC[C@H](OC)C1 ZINC000598621717 449498604 /nfs/dbraw/zinc/49/86/04/449498604.db2.gz BUBCVJQERCVQEK-LJISPDSOSA-N 1 2 326.437 1.624 20 30 EDEDLO C[C@@H]1C[N@H+](CCNc2ncc(Br)cc2C#N)[C@H](C)CO1 ZINC000596430189 449499407 /nfs/dbraw/zinc/49/94/07/449499407.db2.gz KMPVQPXGZONPPS-GHMZBOCLSA-N 1 2 339.237 2.237 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNc2ncc(Br)cc2C#N)[C@H](C)CO1 ZINC000596430189 449499410 /nfs/dbraw/zinc/49/94/10/449499410.db2.gz KMPVQPXGZONPPS-GHMZBOCLSA-N 1 2 339.237 2.237 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(C#N)c(F)c2)[C@H](C)CO1 ZINC000596618081 449574772 /nfs/dbraw/zinc/57/47/72/449574772.db2.gz KBSYXMVNWMJRSP-CHWSQXEVSA-N 1 2 334.395 1.606 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(C#N)c(F)c2)[C@H](C)CO1 ZINC000596618081 449574775 /nfs/dbraw/zinc/57/47/75/449574775.db2.gz KBSYXMVNWMJRSP-CHWSQXEVSA-N 1 2 334.395 1.606 20 30 EDEDLO N#C[C@H]1CN(Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000602465341 449611772 /nfs/dbraw/zinc/61/17/72/449611772.db2.gz PRWRWRKHWIENKH-SFHVURJKSA-N 1 2 331.416 1.122 20 30 EDEDLO COc1ncc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)s1 ZINC000602483243 449625440 /nfs/dbraw/zinc/62/54/40/449625440.db2.gz IHHUAVHGDSMNFG-NSHDSACASA-N 1 2 330.417 1.524 20 30 EDEDLO COc1ncc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)s1 ZINC000602483243 449625444 /nfs/dbraw/zinc/62/54/44/449625444.db2.gz IHHUAVHGDSMNFG-NSHDSACASA-N 1 2 330.417 1.524 20 30 EDEDLO CCOC(=O)[C@@]1(C)CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000602749294 449783526 /nfs/dbraw/zinc/78/35/26/449783526.db2.gz UKPZMEADHDJLGH-QGZVFWFLSA-N 1 2 328.372 1.360 20 30 EDEDLO Cc1cn2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2[nH+]1 ZINC000594998305 449836968 /nfs/dbraw/zinc/83/69/68/449836968.db2.gz VXUYXUOXHUHFIO-UHFFFAOYSA-N 1 2 325.372 1.734 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@@H](C)N1CC#N ZINC000602859910 449868882 /nfs/dbraw/zinc/86/88/82/449868882.db2.gz HDXCNUQWWGDXEY-INMHGKMJSA-N 1 2 342.443 1.024 20 30 EDEDLO Cn1cc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)nn1 ZINC000597210412 449872654 /nfs/dbraw/zinc/87/26/54/449872654.db2.gz GRLHPTMDGMAZMO-UHFFFAOYSA-N 1 2 336.403 1.619 20 30 EDEDLO Cn1cc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)nn1 ZINC000597210412 449872662 /nfs/dbraw/zinc/87/26/62/449872662.db2.gz GRLHPTMDGMAZMO-UHFFFAOYSA-N 1 2 336.403 1.619 20 30 EDEDLO C[C@@H](CC#N)NCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000602864289 449873694 /nfs/dbraw/zinc/87/36/94/449873694.db2.gz QWBVZOJNZPSIQB-HNNXBMFYSA-N 1 2 330.432 1.027 20 30 EDEDLO CC(C)(C)c1nnc2n1CC[N@@H+](Cc1cnc3c(C#N)cnn3c1)C2 ZINC000597245512 449892055 /nfs/dbraw/zinc/89/20/55/449892055.db2.gz ZITNZISAYNKCAW-UHFFFAOYSA-N 1 2 336.403 1.506 20 30 EDEDLO CC(C)(C)c1nnc2n1CC[N@H+](Cc1cnc3c(C#N)cnn3c1)C2 ZINC000597245512 449892059 /nfs/dbraw/zinc/89/20/59/449892059.db2.gz ZITNZISAYNKCAW-UHFFFAOYSA-N 1 2 336.403 1.506 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000601385264 449902025 /nfs/dbraw/zinc/90/20/25/449902025.db2.gz LZMJMKKZIRVBDP-NEPJUHHUSA-N 1 2 325.409 1.719 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000601385264 449902028 /nfs/dbraw/zinc/90/20/28/449902028.db2.gz LZMJMKKZIRVBDP-NEPJUHHUSA-N 1 2 325.409 1.719 20 30 EDEDLO N#CCN1CCC[C@@H](CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602895818 449903510 /nfs/dbraw/zinc/90/35/10/449903510.db2.gz MCVDABRUCZSEKI-QWHCGFSZSA-N 1 2 343.353 1.728 20 30 EDEDLO Cc1nc([C@](C)([NH2+]C[C@@H](O)COc2ccccc2C#N)C2CC2)no1 ZINC000599427341 449967239 /nfs/dbraw/zinc/96/72/39/449967239.db2.gz NDNSWPYLFYSHDR-CRAIPNDOSA-N 1 2 342.399 1.904 20 30 EDEDLO N#CCCCCS(=O)(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000601450619 449973335 /nfs/dbraw/zinc/97/33/35/449973335.db2.gz DKNNWRNFUUMFKG-UHFFFAOYSA-N 1 2 333.457 1.970 20 30 EDEDLO N#CCCCCS(=O)(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000601450619 449973338 /nfs/dbraw/zinc/97/33/38/449973338.db2.gz DKNNWRNFUUMFKG-UHFFFAOYSA-N 1 2 333.457 1.970 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602979374 449978065 /nfs/dbraw/zinc/97/80/65/449978065.db2.gz CNZWLXXVBLQRBV-BBWFWOEESA-N 1 2 331.464 1.303 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602979374 449978068 /nfs/dbraw/zinc/97/80/68/449978068.db2.gz CNZWLXXVBLQRBV-BBWFWOEESA-N 1 2 331.464 1.303 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@@H+]2Cc3ccccc3NC(=O)C2)CCOCC1 ZINC000599453915 449987207 /nfs/dbraw/zinc/98/72/07/449987207.db2.gz FBYOSMQFQVWJTF-OAHLLOKOSA-N 1 2 329.400 1.512 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@H+]2Cc3ccccc3NC(=O)C2)CCOCC1 ZINC000599453915 449987208 /nfs/dbraw/zinc/98/72/08/449987208.db2.gz FBYOSMQFQVWJTF-OAHLLOKOSA-N 1 2 329.400 1.512 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)nc1 ZINC000609344600 450017774 /nfs/dbraw/zinc/01/77/74/450017774.db2.gz ORDPZOQHIZERRQ-UHFFFAOYSA-N 1 2 349.394 1.010 20 30 EDEDLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000599564101 450064445 /nfs/dbraw/zinc/06/44/45/450064445.db2.gz DYVMBQLZDOCFKU-YVEFUNNKSA-N 1 2 331.372 1.149 20 30 EDEDLO COC(=O)[C@@]1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000599564101 450064448 /nfs/dbraw/zinc/06/44/48/450064448.db2.gz DYVMBQLZDOCFKU-YVEFUNNKSA-N 1 2 331.372 1.149 20 30 EDEDLO Cc1ccccc1CCNC(=O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609486333 450036183 /nfs/dbraw/zinc/03/61/83/450036183.db2.gz IJHCUFQXKFMKDH-LJQANCHMSA-N 1 2 342.487 1.820 20 30 EDEDLO N#Cc1nccnc1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564240 450053202 /nfs/dbraw/zinc/05/32/02/450053202.db2.gz ZMMAFRIAMCDHOG-INIZCTEOSA-N 1 2 343.818 1.857 20 30 EDEDLO COc1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)sn1 ZINC000595340936 450054583 /nfs/dbraw/zinc/05/45/83/450054583.db2.gz ZGBHOSANXOUUNX-NSHDSACASA-N 1 2 330.417 1.524 20 30 EDEDLO COc1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)sn1 ZINC000595340936 450054585 /nfs/dbraw/zinc/05/45/85/450054585.db2.gz ZGBHOSANXOUUNX-NSHDSACASA-N 1 2 330.417 1.524 20 30 EDEDLO Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ncc1C#N ZINC000603116636 450079388 /nfs/dbraw/zinc/07/93/88/450079388.db2.gz ACVOAYKNAQKDMN-OAHLLOKOSA-N 1 2 329.404 1.590 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cn1 ZINC000595397408 450111750 /nfs/dbraw/zinc/11/17/50/450111750.db2.gz VWCZJRSRBLPQLA-MRXNPFEDSA-N 1 2 342.424 1.506 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cn1 ZINC000595397408 450111757 /nfs/dbraw/zinc/11/17/57/450111757.db2.gz VWCZJRSRBLPQLA-MRXNPFEDSA-N 1 2 342.424 1.506 20 30 EDEDLO CN(C1CC1)S(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609895921 450112877 /nfs/dbraw/zinc/11/28/77/450112877.db2.gz YORGZVBPDRUSHO-UHFFFAOYSA-N 1 2 334.445 1.015 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(C4CC4)no3)CC2)c1C#N ZINC000595458018 450155999 /nfs/dbraw/zinc/15/59/99/450155999.db2.gz OUYQYTIVUNXMJX-UHFFFAOYSA-N 1 2 326.404 1.788 20 30 EDEDLO C=C[C@H](C(=O)OC)n1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000603236663 450165646 /nfs/dbraw/zinc/16/56/46/450165646.db2.gz PZMSHDAYVYVLTJ-QGZVFWFLSA-N 1 2 341.415 1.500 20 30 EDEDLO CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000599703332 450165807 /nfs/dbraw/zinc/16/58/07/450165807.db2.gz PIMNWYODQYCACM-GOSISDBHSA-N 1 2 342.443 1.924 20 30 EDEDLO CC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000599703332 450165814 /nfs/dbraw/zinc/16/58/14/450165814.db2.gz PIMNWYODQYCACM-GOSISDBHSA-N 1 2 342.443 1.924 20 30 EDEDLO N#CC1(CC(=O)NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)CC1 ZINC000601645453 450137828 /nfs/dbraw/zinc/13/78/28/450137828.db2.gz LWADCOISURSMTL-UHFFFAOYSA-N 1 2 345.468 1.561 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3cccc(C#N)n3)CC2)C[C@H](C)O1 ZINC000595435704 450140806 /nfs/dbraw/zinc/14/08/06/450140806.db2.gz UAXXMLWNBBYVFL-IYBDPMFKSA-N 1 2 329.448 1.184 20 30 EDEDLO COc1cc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(F)cc1C#N ZINC000599811223 450231513 /nfs/dbraw/zinc/23/15/13/450231513.db2.gz SDSNZWRQZZFQTQ-ZDUSSCGKSA-N 1 2 348.378 1.644 20 30 EDEDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000601732259 450195878 /nfs/dbraw/zinc/19/58/78/450195878.db2.gz BNZJJPRCGVYVOP-IRXDYDNUSA-N 1 2 326.400 1.030 20 30 EDEDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000601732259 450195881 /nfs/dbraw/zinc/19/58/81/450195881.db2.gz BNZJJPRCGVYVOP-IRXDYDNUSA-N 1 2 326.400 1.030 20 30 EDEDLO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000610579542 450266594 /nfs/dbraw/zinc/26/65/94/450266594.db2.gz OTVVDZRZADIPAX-GFCCVEGCSA-N 1 2 334.445 1.985 20 30 EDEDLO COCc1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)no1 ZINC000603430409 450299124 /nfs/dbraw/zinc/29/91/24/450299124.db2.gz HMVJDJBVYVUHHW-QGZVFWFLSA-N 1 2 340.383 1.583 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000625367056 450316875 /nfs/dbraw/zinc/31/68/75/450316875.db2.gz XADRVVNHTSRXJD-OAHLLOKOSA-N 1 2 337.464 1.028 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610846701 450354424 /nfs/dbraw/zinc/35/44/24/450354424.db2.gz CHAXRHIZOFJFRM-LLVKDONJSA-N 1 2 327.388 1.362 20 30 EDEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)N3CCCC3)CC2)c1 ZINC000603841158 450357336 /nfs/dbraw/zinc/35/73/36/450357336.db2.gz LSENHSSKNCDNBZ-UHFFFAOYSA-N 1 2 328.416 1.770 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)c1 ZINC000610855227 450358060 /nfs/dbraw/zinc/35/80/60/450358060.db2.gz DACQFJOOZSBVCP-UHFFFAOYSA-N 1 2 325.353 1.940 20 30 EDEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccco1 ZINC000619473070 450483695 /nfs/dbraw/zinc/48/36/95/450483695.db2.gz BNPIUQWRVYTFFQ-HNNXBMFYSA-N 1 2 333.413 1.927 20 30 EDEDLO C[C@@H](CO)NC(=O)c1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000619561255 450506234 /nfs/dbraw/zinc/50/62/34/450506234.db2.gz GIDQQUGTPCDESZ-ZDUSSCGKSA-N 1 2 349.394 1.929 20 30 EDEDLO C=CC(C)(C)CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000626393545 450718265 /nfs/dbraw/zinc/71/82/65/450718265.db2.gz SVISXODDVNOGPX-UHFFFAOYSA-N 1 2 335.452 1.939 20 30 EDEDLO C=CCn1cc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)nn1 ZINC000636056355 451473242 /nfs/dbraw/zinc/47/32/42/451473242.db2.gz NFLSJEUXHWCBTG-NSHDSACASA-N 1 2 328.298 1.471 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)n1cc(C[NH+]2CCSCC2)nn1 ZINC000640921285 451691219 /nfs/dbraw/zinc/69/12/19/451691219.db2.gz SVFRGNRCGOFKRZ-AWEZNQCLSA-N 1 2 335.477 1.589 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2cccc(OCC)c2)nn1 ZINC000640983145 451720257 /nfs/dbraw/zinc/72/02/57/451720257.db2.gz QKOKSWUBJWOESO-UHFFFAOYSA-N 1 2 341.415 1.106 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC[C@@H]2Sc3ccccc3NC2=O)nn1 ZINC000641168182 451768129 /nfs/dbraw/zinc/76/81/29/451768129.db2.gz CVSILEYCFURFDS-INIZCTEOSA-N 1 2 341.440 1.894 20 30 EDEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000649250813 451931654 /nfs/dbraw/zinc/93/16/54/451931654.db2.gz HIOZFMWKUWYSTD-INIZCTEOSA-N 1 2 338.835 1.800 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000645138474 452172879 /nfs/dbraw/zinc/17/28/79/452172879.db2.gz KJHZJIBMMMDSEX-CZUORRHYSA-N 1 2 344.390 1.722 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC#Cc1ccccc1)C(C)(C)CO ZINC000663548214 452254133 /nfs/dbraw/zinc/25/41/33/452254133.db2.gz NGOBNQHOOLFUGP-MRXNPFEDSA-N 1 2 340.427 1.831 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657923760 452614734 /nfs/dbraw/zinc/61/47/34/452614734.db2.gz IBGGNDZHVZSUEJ-CJNGLKHVSA-N 1 2 342.399 1.679 20 30 EDEDLO C=C[C@H](CO)[NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000662165987 452903464 /nfs/dbraw/zinc/90/34/64/452903464.db2.gz XJLQMQLKABMFDC-GFCCVEGCSA-N 1 2 338.454 1.850 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000646322492 453317965 /nfs/dbraw/zinc/31/79/65/453317965.db2.gz QBKKBLWNIASCDL-HZPDHXFCSA-N 1 2 342.505 1.634 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000648845785 453325362 /nfs/dbraw/zinc/32/53/62/453325362.db2.gz RHKWACPBDJBIGX-GDBMZVCRSA-N 1 2 347.369 1.918 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000648845785 453325368 /nfs/dbraw/zinc/32/53/68/453325368.db2.gz RHKWACPBDJBIGX-GDBMZVCRSA-N 1 2 347.369 1.918 20 30 EDEDLO CC#CCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000664704509 453332447 /nfs/dbraw/zinc/33/24/47/453332447.db2.gz WVPHHYSBGLILOO-SFHVURJKSA-N 1 2 328.460 1.515 20 30 EDEDLO CC#CCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000664704509 453332458 /nfs/dbraw/zinc/33/24/58/453332458.db2.gz WVPHHYSBGLILOO-SFHVURJKSA-N 1 2 328.460 1.515 20 30 EDEDLO C=C[C@H](O)C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1 ZINC000665423673 453688975 /nfs/dbraw/zinc/68/89/75/453688975.db2.gz YDYDIWHDACBYED-INIZCTEOSA-N 1 2 328.416 1.142 20 30 EDEDLO C=C[C@H](O)C(=O)N1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC000665423673 453688979 /nfs/dbraw/zinc/68/89/79/453688979.db2.gz YDYDIWHDACBYED-INIZCTEOSA-N 1 2 328.416 1.142 20 30 EDEDLO COCC#CC[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000677818691 487174849 /nfs/dbraw/zinc/17/48/49/487174849.db2.gz GAJGSNMIGVTWDG-UHFFFAOYSA-N 1 2 341.455 1.233 20 30 EDEDLO N#Cc1cc(Br)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000154117564 534769171 /nfs/dbraw/zinc/76/91/71/534769171.db2.gz UAEDHYYJVPUVDB-CYBMUJFWSA-N 1 2 341.205 1.393 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2csc(-c3ccoc3)n2)CC1 ZINC000108357403 526538853 /nfs/dbraw/zinc/53/88/53/526538853.db2.gz PSSHXKPEXFLEOK-UHFFFAOYSA-N 1 2 346.456 1.823 20 30 EDEDLO C=CCNC(=O)C[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177386629 526572820 /nfs/dbraw/zinc/57/28/20/526572820.db2.gz GWMRKYUKZBJSLO-CQSZACIVSA-N 1 2 329.322 1.298 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000174860823 526633047 /nfs/dbraw/zinc/63/30/47/526633047.db2.gz SWVQXCQOOWEAKF-HNNXBMFYSA-N 1 2 330.432 1.835 20 30 EDEDLO C=CC1CC[NH+]([C@@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000111258578 526982411 /nfs/dbraw/zinc/98/24/11/526982411.db2.gz GLCAVMBVYCYTOV-HOCLYGCPSA-N 1 2 342.505 1.699 20 30 EDEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000177861963 527372194 /nfs/dbraw/zinc/37/21/94/527372194.db2.gz YIXWIDSABZEGCX-UHFFFAOYSA-N 1 2 345.443 1.943 20 30 EDEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000177861963 527372199 /nfs/dbraw/zinc/37/21/99/527372199.db2.gz YIXWIDSABZEGCX-UHFFFAOYSA-N 1 2 345.443 1.943 20 30 EDEDLO CCC(CC)(NC(=O)C1C[NH+](Cc2ccccc2C#N)C1)C(N)=O ZINC000353203023 534999616 /nfs/dbraw/zinc/99/96/16/534999616.db2.gz PZBHBZRERXBSLD-UHFFFAOYSA-N 1 2 328.416 1.150 20 30 EDEDLO CC(C)S(=O)(=O)CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000264302843 535092737 /nfs/dbraw/zinc/09/27/37/535092737.db2.gz DPCATIQKQFGTNS-UHFFFAOYSA-N 1 2 335.473 1.894 20 30 EDEDLO CC(C)S(=O)(=O)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000264302843 535092740 /nfs/dbraw/zinc/09/27/40/535092740.db2.gz DPCATIQKQFGTNS-UHFFFAOYSA-N 1 2 335.473 1.894 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000743202013 579472983 /nfs/dbraw/zinc/47/29/83/579472983.db2.gz ULKCVEUCWOFANO-ZDUSSCGKSA-N 1 2 335.379 1.680 20 30 EDEDLO C#CCOc1ccc(F)cc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000743202013 579472984 /nfs/dbraw/zinc/47/29/84/579472984.db2.gz ULKCVEUCWOFANO-ZDUSSCGKSA-N 1 2 335.379 1.680 20 30 EDEDLO N#Cc1c(F)cccc1N1CC[NH+](CN2C(=O)CC23CCC3)CC1 ZINC000743354160 579476919 /nfs/dbraw/zinc/47/69/19/579476919.db2.gz NELCXONFOXGHAQ-UHFFFAOYSA-N 1 2 328.391 1.932 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726254028 578338376 /nfs/dbraw/zinc/33/83/76/578338376.db2.gz QGDOZCYGPIVMRD-ZDUSSCGKSA-N 1 2 332.404 1.799 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726254028 578338377 /nfs/dbraw/zinc/33/83/77/578338377.db2.gz QGDOZCYGPIVMRD-ZDUSSCGKSA-N 1 2 332.404 1.799 20 30 EDEDLO C=CCOCC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000729758479 578591672 /nfs/dbraw/zinc/59/16/72/578591672.db2.gz LQEKUHYKVCEPFH-UHFFFAOYSA-N 1 2 338.429 1.138 20 30 EDEDLO C#Cc1cccc(NC(=S)N2CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000729943410 578603449 /nfs/dbraw/zinc/60/34/49/578603449.db2.gz UFWMNLHYGGOEJX-UHFFFAOYSA-N 1 2 339.468 1.916 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000760331357 580028273 /nfs/dbraw/zinc/02/82/73/580028273.db2.gz GEYJWBFBZFXZIW-UHFFFAOYSA-N 1 2 347.422 1.855 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000732350486 578707116 /nfs/dbraw/zinc/70/71/16/578707116.db2.gz MHSWTBCOBHGEIO-SJCJKPOMSA-N 1 2 328.372 1.934 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000732358822 578707974 /nfs/dbraw/zinc/70/79/74/578707974.db2.gz UWDRIJZNULKDEM-GFCCVEGCSA-N 1 2 344.371 1.129 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810174 578731111 /nfs/dbraw/zinc/73/11/11/578731111.db2.gz KGGKIDQNUGCEQH-GFCCVEGCSA-N 1 2 333.354 1.282 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810174 578731112 /nfs/dbraw/zinc/73/11/12/578731112.db2.gz KGGKIDQNUGCEQH-GFCCVEGCSA-N 1 2 333.354 1.282 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cn1 ZINC000734439515 578814324 /nfs/dbraw/zinc/81/43/24/578814324.db2.gz VBEFNQBGKJTHOR-UHFFFAOYSA-N 1 2 337.427 1.371 20 30 EDEDLO C=C(Cl)CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000736955441 579035181 /nfs/dbraw/zinc/03/51/81/579035181.db2.gz HMRFRCDIVJUMTI-UHFFFAOYSA-N 1 2 336.823 1.948 20 30 EDEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)Cn2cc[nH+]c2)ccc1OC ZINC000746261164 579582947 /nfs/dbraw/zinc/58/29/47/579582947.db2.gz FWSPXGTWLSCASO-AWEZNQCLSA-N 1 2 328.372 1.889 20 30 EDEDLO N#CCCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000746675419 579606357 /nfs/dbraw/zinc/60/63/57/579606357.db2.gz DIXFCPXJNTVZJQ-MRXNPFEDSA-N 1 2 328.416 1.301 20 30 EDEDLO N#CCCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000746675419 579606358 /nfs/dbraw/zinc/60/63/58/579606358.db2.gz DIXFCPXJNTVZJQ-MRXNPFEDSA-N 1 2 328.416 1.301 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 ZINC000747256915 579636082 /nfs/dbraw/zinc/63/60/82/579636082.db2.gz QCIVWTCBWLDXFM-UHFFFAOYSA-N 1 2 329.425 1.564 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)OCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000747759434 579657316 /nfs/dbraw/zinc/65/73/16/579657316.db2.gz KELOPHZIPCANIO-HNNXBMFYSA-N 1 2 338.448 1.455 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)Cc2cn3cccc(C)c3[nH+]2)c1 ZINC000750670339 579775367 /nfs/dbraw/zinc/77/53/67/579775367.db2.gz OADNUYFAQLRECP-UHFFFAOYSA-N 1 2 346.390 1.921 20 30 EDEDLO COc1cccc([C@@H](C#N)NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1OC ZINC000750865083 579784608 /nfs/dbraw/zinc/78/46/08/579784608.db2.gz ZFXDFVBFIOGKRT-SWLSCSKDSA-N 1 2 340.383 1.844 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2(O)CCC2)CC1=O ZINC000752719840 579864328 /nfs/dbraw/zinc/86/43/28/579864328.db2.gz XDTIISBDOXJVLB-UHFFFAOYSA-N 1 2 326.400 1.561 20 30 EDEDLO C#CC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000753943153 579891859 /nfs/dbraw/zinc/89/18/59/579891859.db2.gz OMEYIOJICMTCQF-UHFFFAOYSA-N 1 2 338.386 1.797 20 30 EDEDLO Oc1cccc(Cl)c1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000755499253 579928148 /nfs/dbraw/zinc/92/81/48/579928148.db2.gz OJIVXDNSFBHQEL-UHFFFAOYSA-N 1 2 342.852 1.176 20 30 EDEDLO Cc1[nH+]c[nH]c1CN=Nc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000755587452 579930165 /nfs/dbraw/zinc/93/01/65/579930165.db2.gz OHNVZRANXPMYET-UHFFFAOYSA-N 1 2 348.432 1.734 20 30 EDEDLO N#Cc1cnc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000759135472 579999452 /nfs/dbraw/zinc/99/94/52/579999452.db2.gz LZBBYXAACCBHPF-AWEZNQCLSA-N 1 2 328.397 1.854 20 30 EDEDLO N#Cc1cnc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000759135472 579999453 /nfs/dbraw/zinc/99/94/53/579999453.db2.gz LZBBYXAACCBHPF-AWEZNQCLSA-N 1 2 328.397 1.854 20 30 EDEDLO C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000759249516 580001814 /nfs/dbraw/zinc/00/18/14/580001814.db2.gz MLMWJLWOPHWLNC-LRDDRELGSA-N 1 2 345.428 1.490 20 30 EDEDLO N#Cc1ccc([C@@H](O)CS(=O)(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000763243005 580096223 /nfs/dbraw/zinc/09/62/23/580096223.db2.gz XERIXMGHDLKSAT-INIZCTEOSA-N 1 2 341.392 1.854 20 30 EDEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(C#N)nc1 ZINC000765948938 580154629 /nfs/dbraw/zinc/15/46/29/580154629.db2.gz IOQXXNDHIIBVOU-OAHLLOKOSA-N 1 2 345.399 1.916 20 30 EDEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H]1COC(=O)c1ccc(C#N)nc1 ZINC000765948938 580154630 /nfs/dbraw/zinc/15/46/30/580154630.db2.gz IOQXXNDHIIBVOU-OAHLLOKOSA-N 1 2 345.399 1.916 20 30 EDEDLO C[C@H]1CCC[N@@H+]1CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000773196383 580330199 /nfs/dbraw/zinc/33/01/99/580330199.db2.gz DIGCRMQDJXDACU-AWEZNQCLSA-N 1 2 349.456 1.074 20 30 EDEDLO C[C@H]1CCC[N@H+]1CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000773196383 580330200 /nfs/dbraw/zinc/33/02/00/580330200.db2.gz DIGCRMQDJXDACU-AWEZNQCLSA-N 1 2 349.456 1.074 20 30 EDEDLO C#C[C@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CCCO1 ZINC000773271924 580332270 /nfs/dbraw/zinc/33/22/70/580332270.db2.gz FMXHDLQDPAMSBS-QWRGUYRKSA-N 1 2 330.310 1.425 20 30 EDEDLO C=CC[C@@H](CO)CNc1[nH+]cnc2c1c(Br)nn2C ZINC000774702204 580371218 /nfs/dbraw/zinc/37/12/18/580371218.db2.gz CMGXZPRBCQSYRS-MRVPVSSYSA-N 1 2 326.198 1.722 20 30 EDEDLO C#C[C@H](NC(=O)N1CCC[N@H+](Cc2cscn2)CC1)[C@H]1CCCO1 ZINC000773548663 580340585 /nfs/dbraw/zinc/34/05/85/580340585.db2.gz MILNLQGVYPKAKM-JKSUJKDBSA-N 1 2 348.472 1.541 20 30 EDEDLO C#C[C@H](NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)[C@H]1CCCO1 ZINC000773548663 580340586 /nfs/dbraw/zinc/34/05/86/580340586.db2.gz MILNLQGVYPKAKM-JKSUJKDBSA-N 1 2 348.472 1.541 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@H]1CCCO1 ZINC000773553843 580340943 /nfs/dbraw/zinc/34/09/43/580340943.db2.gz AUEJIFHFKJELBA-RYQLBKOJSA-N 1 2 342.443 1.651 20 30 EDEDLO COc1ccccc1NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000773979741 580350976 /nfs/dbraw/zinc/35/09/76/580350976.db2.gz KEVBCXYFNUIDLB-OLZOCXBDSA-N 1 2 347.440 1.780 20 30 EDEDLO COC1(C)CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000775555285 580393517 /nfs/dbraw/zinc/39/35/17/580393517.db2.gz CGGUGHUQMKXZHA-UHFFFAOYSA-N 1 2 326.400 1.921 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nc2cc(S(=O)(=O)CC)ccc2o1)[C@H]1CCCO1 ZINC000775784608 580400183 /nfs/dbraw/zinc/40/01/83/580400183.db2.gz KNNNNGLAOJVZQG-DZGCQCFKSA-N 1 2 348.424 1.892 20 30 EDEDLO C#C[C@H]([NH2+][C@@H](C)C(=O)N1CC(=O)Nc2ccccc21)[C@H]1CCCO1 ZINC000775791872 580400709 /nfs/dbraw/zinc/40/07/09/580400709.db2.gz XKKRLJWKKXIDIH-HEHGZKQESA-N 1 2 327.384 1.131 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593825 580423212 /nfs/dbraw/zinc/42/32/12/580423212.db2.gz ZZGHDMTYWYOBPA-KRWDZBQOSA-N 1 2 348.403 1.176 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)S1 ZINC000780952059 580538568 /nfs/dbraw/zinc/53/85/68/580538568.db2.gz VZTGYRDTTWLMAG-DOMZBBRYSA-N 1 2 344.440 1.227 20 30 EDEDLO Nc1ncc(C=[NH+]Nc2ncnc3c2cnn3-c2ccccc2)cn1 ZINC000781590160 580552986 /nfs/dbraw/zinc/55/29/86/580552986.db2.gz SOTFRIDOQLBTJR-UHFFFAOYSA-N 1 2 331.343 1.634 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000784604704 580624868 /nfs/dbraw/zinc/62/48/68/580624868.db2.gz YEYDAASOLDBESA-KRWDZBQOSA-N 1 2 344.411 1.901 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000784604704 580624869 /nfs/dbraw/zinc/62/48/69/580624869.db2.gz YEYDAASOLDBESA-KRWDZBQOSA-N 1 2 344.411 1.901 20 30 EDEDLO N#CCCNC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000787356395 580693907 /nfs/dbraw/zinc/69/39/07/580693907.db2.gz ZWHZCDWYLYZSHO-UHFFFAOYSA-N 1 2 346.822 1.729 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000791781368 580801906 /nfs/dbraw/zinc/80/19/06/580801906.db2.gz BKJWSGTVNNLEBE-SJORKVTESA-N 1 2 343.402 1.140 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000791781368 580801907 /nfs/dbraw/zinc/80/19/07/580801907.db2.gz BKJWSGTVNNLEBE-SJORKVTESA-N 1 2 343.402 1.140 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000793492261 580845749 /nfs/dbraw/zinc/84/57/49/580845749.db2.gz BZXKJWBNNGNIPZ-CQSZACIVSA-N 1 2 335.448 1.409 20 30 EDEDLO CCOC(=O)CC[N@H+](CC1CC1)Cn1nc(CC#N)n(C)c1=S ZINC000794623214 580900014 /nfs/dbraw/zinc/90/00/14/580900014.db2.gz JSBUMBAKRJPURF-UHFFFAOYSA-N 1 2 337.449 1.640 20 30 EDEDLO CCOC(=O)CC[N@@H+](CC1CC1)Cn1nc(CC#N)n(C)c1=S ZINC000794623214 580900015 /nfs/dbraw/zinc/90/00/15/580900015.db2.gz JSBUMBAKRJPURF-UHFFFAOYSA-N 1 2 337.449 1.640 20 30 EDEDLO C=CC[N@H+](CCC#N)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000794736194 580904708 /nfs/dbraw/zinc/90/47/08/580904708.db2.gz WFILARCVIFSQSD-UHFFFAOYSA-N 1 2 347.419 1.064 20 30 EDEDLO C=CC[N@@H+](CCC#N)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000794736194 580904709 /nfs/dbraw/zinc/90/47/09/580904709.db2.gz WFILARCVIFSQSD-UHFFFAOYSA-N 1 2 347.419 1.064 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C[C@@H]21 ZINC000794987423 580910112 /nfs/dbraw/zinc/91/01/12/580910112.db2.gz SWSXFMYOQDFMQU-QQUHWDOBSA-N 1 2 331.372 1.446 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C[C@@H]21 ZINC000794987423 580910113 /nfs/dbraw/zinc/91/01/13/580910113.db2.gz SWSXFMYOQDFMQU-QQUHWDOBSA-N 1 2 331.372 1.446 20 30 EDEDLO C#Cc1cncc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000798152384 580988797 /nfs/dbraw/zinc/98/87/97/580988797.db2.gz KYBMBRPZDHNMDE-UHFFFAOYSA-N 1 2 335.407 1.900 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000799071174 581015401 /nfs/dbraw/zinc/01/54/01/581015401.db2.gz CYLRPBNQQRLXDJ-HNNXBMFYSA-N 1 2 331.441 1.766 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@@H](c3cccnc3)CC2=O)C1=O ZINC000799143646 581018745 /nfs/dbraw/zinc/01/87/45/581018745.db2.gz NDMNHBBIIJDFDO-JKSUJKDBSA-N 1 2 328.416 1.074 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@@H](c3cccnc3)CC2=O)C1=O ZINC000799143646 581018746 /nfs/dbraw/zinc/01/87/46/581018746.db2.gz NDMNHBBIIJDFDO-JKSUJKDBSA-N 1 2 328.416 1.074 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000799214373 581022444 /nfs/dbraw/zinc/02/24/44/581022444.db2.gz FEEQZHXCGYEDGN-HNNXBMFYSA-N 1 2 342.399 1.858 20 30 EDEDLO Cc1cccc(NC(=O)CN2CC[NH+](CCO[C@@H](C)C#N)CC2)c1C ZINC000801910660 581087706 /nfs/dbraw/zinc/08/77/06/581087706.db2.gz OUEJNXFVPYBASZ-INIZCTEOSA-N 1 2 344.459 1.788 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000801915825 581087939 /nfs/dbraw/zinc/08/79/39/581087939.db2.gz VNGAVBPULKSXFE-ZDUSSCGKSA-N 1 2 347.444 1.844 20 30 EDEDLO C[C@H](C#N)OCC[N@@H+]1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000801927145 581088308 /nfs/dbraw/zinc/08/83/08/581088308.db2.gz IKGDBLXHTYPSRF-MGPQQGTHSA-N 1 2 327.425 1.529 20 30 EDEDLO C[C@H](C#N)OCC[N@H+]1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000801927145 581088309 /nfs/dbraw/zinc/08/83/09/581088309.db2.gz IKGDBLXHTYPSRF-MGPQQGTHSA-N 1 2 327.425 1.529 20 30 EDEDLO C=CCCCN(CC)C(=O)[C@@H]1OCC(=O)N(CC)[C@H]1c1[nH+]ccn1C ZINC000890810364 590795986 /nfs/dbraw/zinc/79/59/86/590795986.db2.gz UDXOEFOCWXTQMC-HZPDHXFCSA-N 1 2 348.447 1.523 20 30 EDEDLO Cc1cccn2cc(CCNC(=O)N3CCO[C@](C)(C#N)C3)[nH+]c12 ZINC000893379768 590821532 /nfs/dbraw/zinc/82/15/32/590821532.db2.gz MABDUEHDHHFFII-QGZVFWFLSA-N 1 2 327.388 1.509 20 30 EDEDLO CN(C)c1cc(N2CCN(c3ccc(C#N)cc3F)CC2)nc[nH+]1 ZINC000892253891 590888305 /nfs/dbraw/zinc/88/83/05/590888305.db2.gz HQGQIVRDHGYBEQ-UHFFFAOYSA-N 1 2 326.379 1.880 20 30 EDEDLO CN(C)c1cc(N2CCN(c3ccc(C#N)cc3F)CC2)[nH+]cn1 ZINC000892253891 590888309 /nfs/dbraw/zinc/88/83/09/590888309.db2.gz HQGQIVRDHGYBEQ-UHFFFAOYSA-N 1 2 326.379 1.880 20 30 EDEDLO C[C@]1(C#N)CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000892370165 590996195 /nfs/dbraw/zinc/99/61/95/590996195.db2.gz NWEGODYJDMKDEI-KRWDZBQOSA-N 1 2 325.372 1.696 20 30 EDEDLO Cc1cc(F)c(C#N)c(NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000892442046 591030138 /nfs/dbraw/zinc/03/01/38/591030138.db2.gz YPTDVKBEQTWNKD-UHFFFAOYSA-N 1 2 339.436 1.927 20 30 EDEDLO C=C(C)C[C@H](CO)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000891409518 591068996 /nfs/dbraw/zinc/06/89/96/591068996.db2.gz HMHKIUWHKVAXFW-OAHLLOKOSA-N 1 2 342.399 1.469 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1=O ZINC000894232232 591238537 /nfs/dbraw/zinc/23/85/37/591238537.db2.gz XPJWZNVSVRHYNW-GFCCVEGCSA-N 1 2 335.360 1.528 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1=O ZINC000894232232 591238539 /nfs/dbraw/zinc/23/85/39/591238539.db2.gz XPJWZNVSVRHYNW-GFCCVEGCSA-N 1 2 335.360 1.528 20 30 EDEDLO COC(=O)[C@@H](C[C@H]1CCCO1)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000895862069 591285933 /nfs/dbraw/zinc/28/59/33/591285933.db2.gz HXXLQHBPHDAYSF-HUUCEWRRSA-N 1 2 328.372 1.406 20 30 EDEDLO CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000895863486 591286510 /nfs/dbraw/zinc/28/65/10/591286510.db2.gz JFNZYRXBJUSTMY-CVEARBPZSA-N 1 2 342.399 1.796 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)c2[nH]c3ccccc3c2C#N)CCO1 ZINC000896048166 591327927 /nfs/dbraw/zinc/32/79/27/591327927.db2.gz BWSVMFJKYSYNBC-UHFFFAOYSA-N 1 2 326.400 1.880 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)c2[nH]c3ccccc3c2C#N)CCO1 ZINC000896048166 591327928 /nfs/dbraw/zinc/32/79/28/591327928.db2.gz BWSVMFJKYSYNBC-UHFFFAOYSA-N 1 2 326.400 1.880 20 30 EDEDLO N#CCC(=O)N1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000895065842 591560457 /nfs/dbraw/zinc/56/04/57/591560457.db2.gz DKVMXWLBMVHGNM-UHFFFAOYSA-N 1 2 327.413 1.763 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)cc1C#N ZINC000898843702 591560595 /nfs/dbraw/zinc/56/05/95/591560595.db2.gz AFLGMOBIGBYHCP-QWHCGFSZSA-N 1 2 346.456 1.983 20 30 EDEDLO CCOc1ccc(O)c(/C=[NH+]/CCCCn2cc(C(N)=O)nn2)c1 ZINC000840714199 591755672 /nfs/dbraw/zinc/75/56/72/591755672.db2.gz YDLTZDITTLWJOS-VCHYOVAHSA-N 1 2 331.376 1.381 20 30 EDEDLO O=C1C[C@@H](c2cccnc2)CN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902600572 592022276 /nfs/dbraw/zinc/02/22/76/592022276.db2.gz WEROGQPNSYMEAR-MRXNPFEDSA-N 1 2 341.411 1.693 20 30 EDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc(C#CCO)c2)CC1 ZINC000900724444 592105693 /nfs/dbraw/zinc/10/56/93/592105693.db2.gz OVEWHJHFFFWNNM-QGZVFWFLSA-N 1 2 349.434 1.944 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000900846251 592145674 /nfs/dbraw/zinc/14/56/74/592145674.db2.gz YEQDYKFYPJSCNT-DKRLNXSXSA-N 1 2 342.439 1.915 20 30 EDEDLO CC(C)Cc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)cn1 ZINC000901130478 592243880 /nfs/dbraw/zinc/24/38/80/592243880.db2.gz SPNRTONIVJECTG-UHFFFAOYSA-N 1 2 349.504 1.410 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1 ZINC000906674647 592255738 /nfs/dbraw/zinc/25/57/38/592255738.db2.gz CWOLOABLKJUDSC-XHSDSOJGSA-N 1 2 347.459 1.267 20 30 EDEDLO C[C@@H]1CN(C(=O)[C@]2(C#N)CC3CCC2CC3)C[C@@H]1[NH+]1CCOCC1 ZINC000906845665 592368630 /nfs/dbraw/zinc/36/86/30/592368630.db2.gz XUHUVFRZHMGPSU-ZFWDSBGPSA-N 1 2 331.460 1.886 20 30 EDEDLO N#Cc1sccc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000906999788 592470289 /nfs/dbraw/zinc/47/02/89/592470289.db2.gz XTKWYYPDEROFTR-CYBMUJFWSA-N 1 2 335.429 1.183 20 30 EDEDLO C#Cc1ccc(CNC(=O)c2coc(C[N@H+]3CC[C@H](OC)C3)n2)cc1 ZINC000908530564 592537186 /nfs/dbraw/zinc/53/71/86/592537186.db2.gz IGRAFSKRYUGDCJ-INIZCTEOSA-N 1 2 339.395 1.807 20 30 EDEDLO C#Cc1ccc(CNC(=O)c2coc(C[N@@H+]3CC[C@H](OC)C3)n2)cc1 ZINC000908530564 592537187 /nfs/dbraw/zinc/53/71/87/592537187.db2.gz IGRAFSKRYUGDCJ-INIZCTEOSA-N 1 2 339.395 1.807 20 30 EDEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N(C)[C@@H]1CC[C@@H]1OC ZINC000908695013 592574675 /nfs/dbraw/zinc/57/46/75/592574675.db2.gz JRDOVSUEFDFMPU-XGUBFFRZSA-N 1 2 335.452 1.469 20 30 EDEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N(C)[C@@H]1CC[C@@H]1OC ZINC000908695013 592574676 /nfs/dbraw/zinc/57/46/76/592574676.db2.gz JRDOVSUEFDFMPU-XGUBFFRZSA-N 1 2 335.452 1.469 20 30 EDEDLO C=CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)C(=O)OC ZINC000905765022 592639540 /nfs/dbraw/zinc/63/95/40/592639540.db2.gz XOKUEFRYHKUWII-CYBMUJFWSA-N 1 2 332.466 1.286 20 30 EDEDLO C=CC[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC ZINC000905771067 592641321 /nfs/dbraw/zinc/64/13/21/592641321.db2.gz GWOVYHFRWAUFPD-STQMWFEESA-N 1 2 328.409 1.330 20 30 EDEDLO C#C[C@@H](NC(=O)c1ccc(NCc2[nH+]ccn2C)cc1)[C@H]1CCCO1 ZINC000907484365 592668417 /nfs/dbraw/zinc/66/84/17/592668417.db2.gz BBVGWWZYUKUVGZ-IAGOWNOFSA-N 1 2 338.411 1.943 20 30 EDEDLO C#CCSCC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000907585230 592722499 /nfs/dbraw/zinc/72/24/99/592722499.db2.gz WBVADSOBOBFCJP-INIZCTEOSA-N 1 2 342.424 1.009 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000840745841 593108536 /nfs/dbraw/zinc/10/85/36/593108536.db2.gz VTGWJOLODVCXTJ-CYBMUJFWSA-N 1 2 342.395 1.867 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000840745841 593108537 /nfs/dbraw/zinc/10/85/37/593108537.db2.gz VTGWJOLODVCXTJ-CYBMUJFWSA-N 1 2 342.395 1.867 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cccc2cnccc12 ZINC000782899290 593129563 /nfs/dbraw/zinc/12/95/63/593129563.db2.gz KZCYAXMOCABEHR-UHFFFAOYSA-N 1 2 343.456 1.365 20 30 EDEDLO C=CCN1CCN(C[NH+]2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000839951167 593219402 /nfs/dbraw/zinc/21/94/02/593219402.db2.gz WWMKXVJIXJOEHM-UHFFFAOYSA-N 1 2 330.432 1.698 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000839149767 593264989 /nfs/dbraw/zinc/26/49/89/593264989.db2.gz VVYKABCTNRRLIK-BUDOKORBSA-N 1 2 344.455 1.686 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCC[C@](O)(CO)C1 ZINC000839149767 593264990 /nfs/dbraw/zinc/26/49/90/593264990.db2.gz VVYKABCTNRRLIK-BUDOKORBSA-N 1 2 344.455 1.686 20 30 EDEDLO C#CC[N@@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)C1CCCC1 ZINC000808733954 593283351 /nfs/dbraw/zinc/28/33/51/593283351.db2.gz GHDITIFDKJGZJK-UHFFFAOYSA-N 1 2 329.462 1.621 20 30 EDEDLO C#CC[N@H+](CCS(=O)(=O)CC(=O)OC(C)(C)C)C1CCCC1 ZINC000808733954 593283354 /nfs/dbraw/zinc/28/33/54/593283354.db2.gz GHDITIFDKJGZJK-UHFFFAOYSA-N 1 2 329.462 1.621 20 30 EDEDLO C#CCCCS(=O)(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000804947123 593321229 /nfs/dbraw/zinc/32/12/29/593321229.db2.gz ZJAQVJDPBXHASS-UHFFFAOYSA-N 1 2 335.473 1.141 20 30 EDEDLO C#Cc1ccccc1CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000810000532 593374813 /nfs/dbraw/zinc/37/48/13/593374813.db2.gz ZKTLGSNORWOZAK-UHFFFAOYSA-N 1 2 335.407 1.758 20 30 EDEDLO Cn1cc(Br)cc1C[N@H+](C)Cn1cccc(C#N)c1=O ZINC000758238173 593398368 /nfs/dbraw/zinc/39/83/68/593398368.db2.gz SUKAELPBCYFYLD-UHFFFAOYSA-N 1 2 335.205 1.910 20 30 EDEDLO Cn1cc(Br)cc1C[N@@H+](C)Cn1cccc(C#N)c1=O ZINC000758238173 593398371 /nfs/dbraw/zinc/39/83/71/593398371.db2.gz SUKAELPBCYFYLD-UHFFFAOYSA-N 1 2 335.205 1.910 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000804374787 593409471 /nfs/dbraw/zinc/40/94/71/593409471.db2.gz DQAFNEPKXRCPON-MRXNPFEDSA-N 1 2 340.402 1.301 20 30 EDEDLO COC(=O)c1ccc(N[NH+]=Cc2cnc(N(C)C)n2C)c(OC)c1 ZINC000811646441 593475690 /nfs/dbraw/zinc/47/56/90/593475690.db2.gz ZJGYQBVUOYTTCO-UHFFFAOYSA-N 1 2 331.376 1.727 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000813667657 593547311 /nfs/dbraw/zinc/54/73/11/593547311.db2.gz JYMMCIMTYYIHOL-HNNXBMFYSA-N 1 2 344.390 1.782 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000813667657 593547313 /nfs/dbraw/zinc/54/73/13/593547313.db2.gz JYMMCIMTYYIHOL-HNNXBMFYSA-N 1 2 344.390 1.782 20 30 EDEDLO CC(=[NH+]Nc1ccccc1S(=O)(=O)N(C)C)c1ccc(N)nc1 ZINC000814939394 593607807 /nfs/dbraw/zinc/60/78/07/593607807.db2.gz OZVJYXAGOHNOBY-UHFFFAOYSA-N 1 2 333.417 1.750 20 30 EDEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CCOCCC#N)CCO1 ZINC000815063122 593612793 /nfs/dbraw/zinc/61/27/93/593612793.db2.gz WGKLCXMMJKGJOV-KBPBESRZSA-N 1 2 327.425 1.531 20 30 EDEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCOCCC#N)CCO1 ZINC000815063122 593612794 /nfs/dbraw/zinc/61/27/94/593612794.db2.gz WGKLCXMMJKGJOV-KBPBESRZSA-N 1 2 327.425 1.531 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2CC=C)CC1 ZINC000817579067 593614663 /nfs/dbraw/zinc/61/46/63/593614663.db2.gz TUDYHWDIIMKOFO-UHFFFAOYSA-N 1 2 343.383 1.480 20 30 EDEDLO C#Cc1cccc(CNC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000817844373 593640408 /nfs/dbraw/zinc/64/04/08/593640408.db2.gz SLJYSNQDZATMCR-INIZCTEOSA-N 1 2 336.395 1.034 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\[C@H]3CCCO3)CC2)cc1 ZINC000819016089 593734006 /nfs/dbraw/zinc/73/40/06/593734006.db2.gz TTZAJTLSOPVXQU-JTHGQSKGSA-N 1 2 325.412 1.938 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc(OCC#N)c2)[C@@H](C)CO1 ZINC000820004872 593782720 /nfs/dbraw/zinc/78/27/20/593782720.db2.gz JHABIPGEUQGTJG-UONOGXRCSA-N 1 2 332.404 1.820 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc(OCC#N)c2)[C@@H](C)CO1 ZINC000820004872 593782721 /nfs/dbraw/zinc/78/27/21/593782721.db2.gz JHABIPGEUQGTJG-UONOGXRCSA-N 1 2 332.404 1.820 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000822228301 594015407 /nfs/dbraw/zinc/01/54/07/594015407.db2.gz NUKUOJNGUZEFQK-INIZCTEOSA-N 1 2 330.428 1.686 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000822364980 594038957 /nfs/dbraw/zinc/03/89/57/594038957.db2.gz NXYVSYVLUQARIK-UHFFFAOYSA-N 1 2 345.424 1.190 20 30 EDEDLO CC1(C#N)CC[NH+](CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000824779145 594073517 /nfs/dbraw/zinc/07/35/17/594073517.db2.gz TVOAANPHDPHVHJ-UHFFFAOYSA-N 1 2 331.405 1.492 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(Cl)nc1N ZINC000824901815 594094293 /nfs/dbraw/zinc/09/42/93/594094293.db2.gz PCNODKQQNJTMMN-UHFFFAOYSA-N 1 2 337.811 1.005 20 30 EDEDLO C=CCC1(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CCOCC1 ZINC000825208681 594148339 /nfs/dbraw/zinc/14/83/39/594148339.db2.gz UBSFCMXCTYZBEZ-CVEARBPZSA-N 1 2 338.448 1.108 20 30 EDEDLO C#CCCOc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000823128906 594157326 /nfs/dbraw/zinc/15/73/26/594157326.db2.gz KWKRYCFGFFCBKC-CVEARBPZSA-N 1 2 330.428 1.928 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000823304782 594183000 /nfs/dbraw/zinc/18/30/00/594183000.db2.gz CULCEWPVZJDHKF-CQSZACIVSA-N 1 2 327.211 1.804 20 30 EDEDLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000829982680 594307037 /nfs/dbraw/zinc/30/70/37/594307037.db2.gz FFZKICWCFNZSJL-SFHVURJKSA-N 1 2 344.415 1.114 20 30 EDEDLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829982680 594307040 /nfs/dbraw/zinc/30/70/40/594307040.db2.gz FFZKICWCFNZSJL-SFHVURJKSA-N 1 2 344.415 1.114 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000829997985 594310762 /nfs/dbraw/zinc/31/07/62/594310762.db2.gz FVFVJGXGBKWWII-KGLIPLIRSA-N 1 2 343.196 1.972 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000829997985 594310763 /nfs/dbraw/zinc/31/07/63/594310763.db2.gz FVFVJGXGBKWWII-KGLIPLIRSA-N 1 2 343.196 1.972 20 30 EDEDLO C#CC1CC[NH+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)CC1 ZINC000830334132 594377212 /nfs/dbraw/zinc/37/72/12/594377212.db2.gz YNNDIFIKFYEKJO-UHFFFAOYSA-N 1 2 345.424 1.925 20 30 EDEDLO CON=C(C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)c1csc(N)n1 ZINC000826688030 594555962 /nfs/dbraw/zinc/55/59/62/594555962.db2.gz CIEREDSUNSLAJG-CYBMUJFWSA-N 1 2 345.428 1.379 20 30 EDEDLO CON=C(C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)c1csc(N)n1 ZINC000826688030 594555965 /nfs/dbraw/zinc/55/59/65/594555965.db2.gz CIEREDSUNSLAJG-CYBMUJFWSA-N 1 2 345.428 1.379 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829467686 594620337 /nfs/dbraw/zinc/62/03/37/594620337.db2.gz VQDCPBRTMYMFEC-LBPRGKRZSA-N 1 2 325.372 1.606 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829467686 594620338 /nfs/dbraw/zinc/62/03/38/594620338.db2.gz VQDCPBRTMYMFEC-LBPRGKRZSA-N 1 2 325.372 1.606 20 30 EDEDLO C#Cc1cnc(NCc2ccccc2OCC[NH+]2CCOCC2)nc1 ZINC000827486871 594676499 /nfs/dbraw/zinc/67/64/99/594676499.db2.gz PXDQFVVSMQSTON-UHFFFAOYSA-N 1 2 338.411 1.781 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000831687651 594692823 /nfs/dbraw/zinc/69/28/23/594692823.db2.gz UZBWTQNRIBAMPQ-QLFBSQMISA-N 1 2 335.448 1.943 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)C1 ZINC000832765197 594775123 /nfs/dbraw/zinc/77/51/23/594775123.db2.gz KSUPLMQLNINMJI-CQSZACIVSA-N 1 2 328.416 1.656 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)N1CCCCc2ccccc21 ZINC000832782634 594776518 /nfs/dbraw/zinc/77/65/18/594776518.db2.gz FBILOSSNCWWHPE-SFHVURJKSA-N 1 2 339.439 1.570 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)N1CCCCc2ccccc21 ZINC000832782634 594776519 /nfs/dbraw/zinc/77/65/19/594776519.db2.gz FBILOSSNCWWHPE-SFHVURJKSA-N 1 2 339.439 1.570 20 30 EDEDLO CCn1c[nH+]cc1C=NNc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000841625021 594929953 /nfs/dbraw/zinc/92/99/53/594929953.db2.gz RNHURNRDUISESF-UHFFFAOYSA-N 1 2 333.417 1.790 20 30 EDEDLO CC(C)[C@@H](C(=O)OCc1ncc(C#N)cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000842080437 595014686 /nfs/dbraw/zinc/01/46/86/595014686.db2.gz OJJSXVXJZFQUIU-ZENOOKHLSA-N 1 2 332.404 1.525 20 30 EDEDLO CC(C)[C@@H](C(=O)OCc1ncc(C#N)cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000842080437 595014688 /nfs/dbraw/zinc/01/46/88/595014688.db2.gz OJJSXVXJZFQUIU-ZENOOKHLSA-N 1 2 332.404 1.525 20 30 EDEDLO C=C[C@H](C)ONC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000845634849 595035863 /nfs/dbraw/zinc/03/58/63/595035863.db2.gz WHYQZHCWPCDZFQ-NHYWBVRUSA-N 1 2 343.387 1.331 20 30 EDEDLO C=C[C@H](C)ONC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000845639602 595036957 /nfs/dbraw/zinc/03/69/57/595036957.db2.gz QRQPPFOAVNLRJI-AWEZNQCLSA-N 1 2 329.404 1.668 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000843255332 595053209 /nfs/dbraw/zinc/05/32/09/595053209.db2.gz ZOWLVILGGXFCMK-BRWVUGGUSA-N 1 2 342.443 1.555 20 30 EDEDLO N#Cc1cnn2cc(CNc3ccc[nH+]c3N3CCC(O)CC3)cnc12 ZINC000843402017 595101373 /nfs/dbraw/zinc/10/13/73/595101373.db2.gz VSBVVRXTUKSJSB-UHFFFAOYSA-N 1 2 349.398 1.569 20 30 EDEDLO C=C(C)CONC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000846534043 595268862 /nfs/dbraw/zinc/26/88/62/595268862.db2.gz SGLVESSAULMGHB-CZUORRHYSA-N 1 2 334.420 1.734 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844308121 595321149 /nfs/dbraw/zinc/32/11/49/595321149.db2.gz QUARIZSBYPNIKR-MSOLQXFVSA-N 1 2 340.427 1.852 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000844527903 595355376 /nfs/dbraw/zinc/35/53/76/595355376.db2.gz RKANHEHRFXLDHL-ZBFHGGJFSA-N 1 2 345.359 1.048 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCNC(=O)OCc1ccccc1 ZINC000844529965 595355916 /nfs/dbraw/zinc/35/59/16/595355916.db2.gz YOUWTGCFMFTPDJ-GOSISDBHSA-N 1 2 346.431 1.653 20 30 EDEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000848374843 595370826 /nfs/dbraw/zinc/37/08/26/595370826.db2.gz ZZSSIGTYWNCEOH-CZUORRHYSA-N 1 2 340.383 1.291 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000847518990 595439402 /nfs/dbraw/zinc/43/94/02/595439402.db2.gz XPZHPZMXAYBWJV-OYLFLEFRSA-N 1 2 347.484 1.260 20 30 EDEDLO N#CCC1(CS(=O)(=O)N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)CC1 ZINC000849389073 595518574 /nfs/dbraw/zinc/51/85/74/595518574.db2.gz CLYSOHCCAFDXEP-ZDUSSCGKSA-N 1 2 338.433 1.179 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC000857620950 595560762 /nfs/dbraw/zinc/56/07/62/595560762.db2.gz ZQWBNCHIBJFPEI-HNNXBMFYSA-N 1 2 348.357 1.454 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000855034059 595574084 /nfs/dbraw/zinc/57/40/84/595574084.db2.gz RANKKXQNSCSGPH-UHFFFAOYSA-N 1 2 335.379 1.118 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1coc(-c2ccc(F)cc2)n1 ZINC000111182266 595713282 /nfs/dbraw/zinc/71/32/82/595713282.db2.gz KPRVAPZXSLIALW-UHFFFAOYSA-N 1 2 334.351 1.602 20 30 EDEDLO CC(C)c1cccc(C=NNC(=S)NCC[NH+]2CCOCC2)c1 ZINC000853263730 595722670 /nfs/dbraw/zinc/72/26/70/595722670.db2.gz ZBAWDDWUFJSYLY-UHFFFAOYSA-N 1 2 334.489 1.940 20 30 EDEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000858219327 595733636 /nfs/dbraw/zinc/73/36/36/595733636.db2.gz IDWNSNVGERMFNV-HOTGVXAUSA-N 1 2 346.431 1.497 20 30 EDEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000858219327 595733638 /nfs/dbraw/zinc/73/36/38/595733638.db2.gz IDWNSNVGERMFNV-HOTGVXAUSA-N 1 2 346.431 1.497 20 30 EDEDLO COc1ccc(CN2CCC(=NNCCCn3cc[nH+]c3)C2=O)cc1 ZINC000853370837 595745130 /nfs/dbraw/zinc/74/51/30/595745130.db2.gz YFFQQIMLWFNOEA-UHFFFAOYSA-N 1 2 341.415 1.660 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000858265905 595747068 /nfs/dbraw/zinc/74/70/68/595747068.db2.gz WFWDJQSBKOCNSP-OAHLLOKOSA-N 1 2 328.416 1.913 20 30 EDEDLO N#Cc1ccc(C2(C(=O)N3CC[NH+](CCO)CC3)CCCC2)cc1 ZINC000858389005 595782093 /nfs/dbraw/zinc/78/20/93/595782093.db2.gz NZWJUBGHCJAEFZ-UHFFFAOYSA-N 1 2 327.428 1.507 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@H]1COCC[N@H+]1C)c1ccc(Cl)cc1F ZINC000858448063 595797705 /nfs/dbraw/zinc/79/77/05/595797705.db2.gz KSGMCWRCVDGCFI-SWLSCSKDSA-N 1 2 339.798 1.783 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)c1ccc(Cl)cc1F ZINC000858448063 595797708 /nfs/dbraw/zinc/79/77/08/595797708.db2.gz KSGMCWRCVDGCFI-SWLSCSKDSA-N 1 2 339.798 1.783 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)C(C)(C)C ZINC000858459930 595801029 /nfs/dbraw/zinc/80/10/29/595801029.db2.gz ONAXNLUCDOBUTP-DLBZAZTESA-N 1 2 344.459 1.630 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)C(C)(C)C ZINC000858459930 595801032 /nfs/dbraw/zinc/80/10/32/595801032.db2.gz ONAXNLUCDOBUTP-DLBZAZTESA-N 1 2 344.459 1.630 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1NCCn1cc(C(=O)OC)nn1 ZINC000853586113 595815801 /nfs/dbraw/zinc/81/58/01/595815801.db2.gz MYXQYHZNLBCKCR-UHFFFAOYSA-N 1 2 329.360 1.364 20 30 EDEDLO C#CCCC[C@H](C)OC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000860861614 595821230 /nfs/dbraw/zinc/82/12/30/595821230.db2.gz VYOMMUNPENUHLH-BPUTZDHNSA-N 1 2 347.415 1.444 20 30 EDEDLO C#CCC[N@@H+](CCOC)Cn1nnc(-c2ccc(OCC)cc2)n1 ZINC000853619758 595834114 /nfs/dbraw/zinc/83/41/14/595834114.db2.gz JTIBMYPZQIKZSA-UHFFFAOYSA-N 1 2 329.404 1.668 20 30 EDEDLO C#CCC[N@H+](CCOC)Cn1nnc(-c2ccc(OCC)cc2)n1 ZINC000853619758 595834115 /nfs/dbraw/zinc/83/41/15/595834115.db2.gz JTIBMYPZQIKZSA-UHFFFAOYSA-N 1 2 329.404 1.668 20 30 EDEDLO CC(C)(C#N)CC(=O)OCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000861022893 595868119 /nfs/dbraw/zinc/86/81/19/595868119.db2.gz ZQCPONFCJLGGRJ-UHFFFAOYSA-N 1 2 343.427 1.927 20 30 EDEDLO C=CC1CCN(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000111912504 595973304 /nfs/dbraw/zinc/97/33/04/595973304.db2.gz NQJOVAOYPXKWQT-UHFFFAOYSA-N 1 2 325.372 1.630 20 30 EDEDLO C=C[C@H](C)ONC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000854220173 596005665 /nfs/dbraw/zinc/00/56/65/596005665.db2.gz NVHCCTZGESQPRL-MAUKXSAKSA-N 1 2 349.431 1.055 20 30 EDEDLO C=C[C@H](C)ONC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000854220173 596005668 /nfs/dbraw/zinc/00/56/68/596005668.db2.gz NVHCCTZGESQPRL-MAUKXSAKSA-N 1 2 349.431 1.055 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852430467 596155389 /nfs/dbraw/zinc/15/53/89/596155389.db2.gz HPRJDUVKEQRNBS-TZMCWYRMSA-N 1 2 328.372 1.412 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852430467 596155393 /nfs/dbraw/zinc/15/53/93/596155393.db2.gz HPRJDUVKEQRNBS-TZMCWYRMSA-N 1 2 328.372 1.412 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1)c1ccccc1 ZINC000852431268 596156465 /nfs/dbraw/zinc/15/64/65/596156465.db2.gz HEFXCQKSJWTQOO-MRXNPFEDSA-N 1 2 342.399 1.460 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1)c1ccccc1 ZINC000852431268 596156466 /nfs/dbraw/zinc/15/64/66/596156466.db2.gz HEFXCQKSJWTQOO-MRXNPFEDSA-N 1 2 342.399 1.460 20 30 EDEDLO CCN1C(=O)CN(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C1=O ZINC000122217582 596240211 /nfs/dbraw/zinc/24/02/11/596240211.db2.gz VSGFEBXQWKYTGU-UHFFFAOYSA-N 1 2 342.399 1.643 20 30 EDEDLO C=CCC(C)(C)C(=O)O[C@@H]1C[C@@H]2C(=O)NCc3ccc[nH+]c3N2C1 ZINC000870520902 596269591 /nfs/dbraw/zinc/26/95/91/596269591.db2.gz YIEPTGKOZNGYCF-ZIAGYGMSSA-N 1 2 329.400 1.804 20 30 EDEDLO C=C(C)C(C)(C)C(=O)O[C@@H]1C[C@@H]2C(=O)NCc3ccc[nH+]c3N2C1 ZINC000870520894 596269769 /nfs/dbraw/zinc/26/97/69/596269769.db2.gz YGKVEILXJDUUJM-ZIAGYGMSSA-N 1 2 329.400 1.804 20 30 EDEDLO N#CCCCCS(=O)(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000867584003 596444552 /nfs/dbraw/zinc/44/45/52/596444552.db2.gz MSXCQHCIXAAITM-UHFFFAOYSA-N 1 2 333.457 1.828 20 30 EDEDLO C=C(C)CS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@@H]2C1 ZINC000867623921 596466679 /nfs/dbraw/zinc/46/66/79/596466679.db2.gz FFPBMXPHDWBEDZ-CABCVRRESA-N 1 2 337.445 1.397 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000865089488 596469779 /nfs/dbraw/zinc/46/97/79/596469779.db2.gz DZKPQILKLKIYAZ-INIZCTEOSA-N 1 2 343.406 1.708 20 30 EDEDLO C=C(Br)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000119265808 596502329 /nfs/dbraw/zinc/50/23/29/596502329.db2.gz ATPGAFGGVLTHMH-NSHDSACASA-N 1 2 325.210 1.868 20 30 EDEDLO CC(C)N1C(=O)CN(C[N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000863336863 596554834 /nfs/dbraw/zinc/55/48/34/596554834.db2.gz XGBHGADDZRSJKL-UHFFFAOYSA-N 1 2 326.400 1.741 20 30 EDEDLO CC(C)N1C(=O)CN(C[N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000863336863 596554836 /nfs/dbraw/zinc/55/48/36/596554836.db2.gz XGBHGADDZRSJKL-UHFFFAOYSA-N 1 2 326.400 1.741 20 30 EDEDLO C=C(Cl)C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C(=O)OCC ZINC000870035164 596718787 /nfs/dbraw/zinc/71/87/87/596718787.db2.gz MYOJZIQYAXYLGX-AAEUAGOBSA-N 1 2 325.796 1.636 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000863942911 596722697 /nfs/dbraw/zinc/72/26/97/596722697.db2.gz FZPWQXAGQQDZJF-SFHVURJKSA-N 1 2 325.412 1.061 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000863942911 596722699 /nfs/dbraw/zinc/72/26/99/596722699.db2.gz FZPWQXAGQQDZJF-SFHVURJKSA-N 1 2 325.412 1.061 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000122056047 596724951 /nfs/dbraw/zinc/72/49/51/596724951.db2.gz VPHKBGZWLKNNHP-UHFFFAOYSA-N 1 2 349.456 1.106 20 30 EDEDLO C[C@](O)(C[C@@H](O)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1)C1CC1 ZINC000863970509 596738431 /nfs/dbraw/zinc/73/84/31/596738431.db2.gz SMJJHMTWPVGAFN-NZSAHSFTSA-N 1 2 329.444 1.851 20 30 EDEDLO C[C@](O)(C[C@@H](O)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)C1CC1 ZINC000863970509 596738433 /nfs/dbraw/zinc/73/84/33/596738433.db2.gz SMJJHMTWPVGAFN-NZSAHSFTSA-N 1 2 329.444 1.851 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000866106461 596790527 /nfs/dbraw/zinc/79/05/27/596790527.db2.gz IAJAZLKIRSAAAT-STQMWFEESA-N 1 2 336.461 1.881 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000866106461 596790528 /nfs/dbraw/zinc/79/05/28/596790528.db2.gz IAJAZLKIRSAAAT-STQMWFEESA-N 1 2 336.461 1.881 20 30 EDEDLO CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000875706086 596953867 /nfs/dbraw/zinc/95/38/67/596953867.db2.gz ZTKRGJLSJOLJBW-LRDDRELGSA-N 1 2 326.441 1.592 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000872645129 597007812 /nfs/dbraw/zinc/00/78/12/597007812.db2.gz SGOQLWYCXHTWEF-MRXNPFEDSA-N 1 2 337.445 1.088 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000872645129 597007813 /nfs/dbraw/zinc/00/78/13/597007813.db2.gz SGOQLWYCXHTWEF-MRXNPFEDSA-N 1 2 337.445 1.088 20 30 EDEDLO N#C[C@@H]1CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCN1C1CC1 ZINC000874460862 597089812 /nfs/dbraw/zinc/08/98/12/597089812.db2.gz NNUAFXBNILDZNB-OLZOCXBDSA-N 1 2 341.337 1.575 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000876192513 597126454 /nfs/dbraw/zinc/12/64/54/597126454.db2.gz BLFBVQGXLFASCG-WMZOPIPTSA-N 1 2 329.444 1.859 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000876192513 597126457 /nfs/dbraw/zinc/12/64/57/597126457.db2.gz BLFBVQGXLFASCG-WMZOPIPTSA-N 1 2 329.444 1.859 20 30 EDEDLO C#CCCOc1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2CC)cc1 ZINC000874708167 597153311 /nfs/dbraw/zinc/15/33/11/597153311.db2.gz JJFPJCJOBNUULE-KRWDZBQOSA-N 1 2 330.428 1.929 20 30 EDEDLO C#CCCOc1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2CC)cc1 ZINC000874708167 597153313 /nfs/dbraw/zinc/15/33/13/597153313.db2.gz JJFPJCJOBNUULE-KRWDZBQOSA-N 1 2 330.428 1.929 20 30 EDEDLO C#CCCCCNC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000875374923 597405979 /nfs/dbraw/zinc/40/59/79/597405979.db2.gz QBOXFEAZRVFMRC-JKSUJKDBSA-N 1 2 328.416 1.350 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[NH+](C)CC3)cc2[nH]c1=S ZINC000124746737 597465659 /nfs/dbraw/zinc/46/56/59/597465659.db2.gz YYHZVKWEBKSODC-UHFFFAOYSA-N 1 2 344.440 1.259 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCOC(F)(F)F ZINC000878186215 597585263 /nfs/dbraw/zinc/58/52/63/597585263.db2.gz ROYDHQJRPPACBY-NSHDSACASA-N 1 2 329.326 1.785 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCOC(F)(F)F ZINC000878186215 597585264 /nfs/dbraw/zinc/58/52/64/597585264.db2.gz ROYDHQJRPPACBY-NSHDSACASA-N 1 2 329.326 1.785 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879760081 597713136 /nfs/dbraw/zinc/71/31/36/597713136.db2.gz PIEJEWXGMNCIFU-MRXNPFEDSA-N 1 2 336.480 1.575 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879760081 597713139 /nfs/dbraw/zinc/71/31/39/597713139.db2.gz PIEJEWXGMNCIFU-MRXNPFEDSA-N 1 2 336.480 1.575 20 30 EDEDLO COC[C@]1(C(=O)OC)CCCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000879028695 597791291 /nfs/dbraw/zinc/79/12/91/597791291.db2.gz LCAGXLKHPWFAEX-AEFFLSMTSA-N 1 2 332.400 1.636 20 30 EDEDLO COC[C@]1(C(=O)OC)CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000879028695 597791292 /nfs/dbraw/zinc/79/12/92/597791292.db2.gz LCAGXLKHPWFAEX-AEFFLSMTSA-N 1 2 332.400 1.636 20 30 EDEDLO C[C@]12C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880016205 597809939 /nfs/dbraw/zinc/80/99/39/597809939.db2.gz MTQMKNSLOLRHER-CALCHBBNSA-N 1 2 334.441 1.846 20 30 EDEDLO C[C@]12C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880016205 597809940 /nfs/dbraw/zinc/80/99/40/597809940.db2.gz MTQMKNSLOLRHER-CALCHBBNSA-N 1 2 334.441 1.846 20 30 EDEDLO C=CC[C@H](C(=O)OC)[N@H+]1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 ZINC000879267284 597870560 /nfs/dbraw/zinc/87/05/60/597870560.db2.gz YFTYKPZNJWZSGF-OWCLPIDISA-N 1 2 331.416 1.609 20 30 EDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 ZINC000879267284 597870562 /nfs/dbraw/zinc/87/05/62/597870562.db2.gz YFTYKPZNJWZSGF-OWCLPIDISA-N 1 2 331.416 1.609 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H](CF)C1 ZINC000880297989 597894719 /nfs/dbraw/zinc/89/47/19/597894719.db2.gz WOOQVRKMIHNVQE-CYBMUJFWSA-N 1 2 327.363 1.974 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H](CF)C1 ZINC000880297989 597894720 /nfs/dbraw/zinc/89/47/20/597894720.db2.gz WOOQVRKMIHNVQE-CYBMUJFWSA-N 1 2 327.363 1.974 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000884121558 598000877 /nfs/dbraw/zinc/00/08/77/598000877.db2.gz SCOYGQFVRRSHPY-GJZGRUSLSA-N 1 2 336.363 1.172 20 30 EDEDLO COc1ccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1C#N ZINC000880882376 598025781 /nfs/dbraw/zinc/02/57/81/598025781.db2.gz CXQACHIRWWDQMF-HNNXBMFYSA-N 1 2 330.388 1.505 20 30 EDEDLO CC[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000882765589 598048995 /nfs/dbraw/zinc/04/89/95/598048995.db2.gz FHWYVBHUKHTUJG-LBPRGKRZSA-N 1 2 347.362 1.950 20 30 EDEDLO CC[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000882765589 598048997 /nfs/dbraw/zinc/04/89/97/598048997.db2.gz FHWYVBHUKHTUJG-LBPRGKRZSA-N 1 2 347.362 1.950 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000884332833 598071061 /nfs/dbraw/zinc/07/10/61/598071061.db2.gz XGJJUKVJJWLNHC-XNJGSVPQSA-N 1 2 346.427 1.976 20 30 EDEDLO CCn1nncc1C[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000993168286 695717029 /nfs/dbraw/zinc/71/70/29/695717029.db2.gz HUHPQUDIQVFTJD-WFASDCNBSA-N 1 2 341.419 1.281 20 30 EDEDLO CCn1nncc1C[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000993168286 695717030 /nfs/dbraw/zinc/71/70/30/695717030.db2.gz HUHPQUDIQVFTJD-WFASDCNBSA-N 1 2 341.419 1.281 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCCC[C@H]1C(N)=O ZINC000915215106 695763014 /nfs/dbraw/zinc/76/30/14/695763014.db2.gz HVTCFYLAPDZFAD-BBRMVZONSA-N 1 2 349.394 1.563 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC000915215106 695763015 /nfs/dbraw/zinc/76/30/15/695763015.db2.gz HVTCFYLAPDZFAD-BBRMVZONSA-N 1 2 349.394 1.563 20 30 EDEDLO Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)cn1 ZINC000993193028 695769643 /nfs/dbraw/zinc/76/96/43/695769643.db2.gz DTLPROBOAUJVBE-DYVFJYSZSA-N 1 2 338.415 1.768 20 30 EDEDLO Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)cn1 ZINC000993193028 695769645 /nfs/dbraw/zinc/76/96/45/695769645.db2.gz DTLPROBOAUJVBE-DYVFJYSZSA-N 1 2 338.415 1.768 20 30 EDEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000993687455 696309938 /nfs/dbraw/zinc/30/99/38/696309938.db2.gz MEKHSWJZQDWVQZ-ODXJTPSBSA-N 1 2 343.265 1.757 20 30 EDEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000993687455 696309940 /nfs/dbraw/zinc/30/99/40/696309940.db2.gz MEKHSWJZQDWVQZ-ODXJTPSBSA-N 1 2 343.265 1.757 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@H]1C ZINC000993699795 696334701 /nfs/dbraw/zinc/33/47/01/696334701.db2.gz ALVJSSNWUXXVHR-DGCLKSJQSA-N 1 2 339.823 1.643 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@H]1C ZINC000993699795 696334703 /nfs/dbraw/zinc/33/47/03/696334703.db2.gz ALVJSSNWUXXVHR-DGCLKSJQSA-N 1 2 339.823 1.643 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000993738611 696340812 /nfs/dbraw/zinc/34/08/12/696340812.db2.gz BVICWRBVILYFSM-IUODEOHRSA-N 1 2 333.819 1.146 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000993738611 696340813 /nfs/dbraw/zinc/34/08/13/696340813.db2.gz BVICWRBVILYFSM-IUODEOHRSA-N 1 2 333.819 1.146 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H]1C ZINC000994405752 696829069 /nfs/dbraw/zinc/82/90/69/696829069.db2.gz VWEDWLOQEVELQL-TZMCWYRMSA-N 1 2 342.871 1.499 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CCN(C(N)=O)CC2)[C@H]1C ZINC000994405752 696829071 /nfs/dbraw/zinc/82/90/71/696829071.db2.gz VWEDWLOQEVELQL-TZMCWYRMSA-N 1 2 342.871 1.499 20 30 EDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(C#N)cc1F ZINC000917056600 696897754 /nfs/dbraw/zinc/89/77/54/696897754.db2.gz WOUOYHIKPAFRAE-HNNXBMFYSA-N 1 2 334.395 1.607 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2COCCO2)CC1=O ZINC000917141498 696953272 /nfs/dbraw/zinc/95/32/72/696953272.db2.gz XXDVTJRLWYKGLL-GFCCVEGCSA-N 1 2 342.399 1.062 20 30 EDEDLO Cn1cc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)cn1 ZINC001031539050 697223924 /nfs/dbraw/zinc/22/39/24/697223924.db2.gz TUVYRCKJLMPVNQ-UHFFFAOYSA-N 1 2 327.363 1.293 20 30 EDEDLO Cn1cccc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031553196 697238543 /nfs/dbraw/zinc/23/85/43/697238543.db2.gz BVTAAHZQYYPMDW-UHFFFAOYSA-N 1 2 325.387 1.878 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1cn[nH]c1 ZINC001031559447 697247818 /nfs/dbraw/zinc/24/78/18/697247818.db2.gz MJGSVYOACJPFTA-UHFFFAOYSA-N 1 2 328.803 1.776 20 30 EDEDLO Cc1ncc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)[nH]1 ZINC001031581675 697277007 /nfs/dbraw/zinc/27/70/07/697277007.db2.gz HGYLMLWOQPSYSF-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO Cc1nn(C)cc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031586290 697281882 /nfs/dbraw/zinc/28/18/82/697281882.db2.gz XRAMCUWXHOXNAK-UHFFFAOYSA-N 1 2 340.402 1.581 20 30 EDEDLO N#Cc1c[nH]c(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001031602990 697302446 /nfs/dbraw/zinc/30/24/46/697302446.db2.gz BJWJSPCIQMBASF-UHFFFAOYSA-N 1 2 336.370 1.739 20 30 EDEDLO CCn1ncc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001031654537 697420397 /nfs/dbraw/zinc/42/03/97/697420397.db2.gz XXLXEDKOGOZWOE-UHFFFAOYSA-N 1 2 342.378 1.171 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1ncc[nH]1 ZINC001031657817 697425501 /nfs/dbraw/zinc/42/55/01/697425501.db2.gz BEDRWRFYMUIMMD-UHFFFAOYSA-N 1 2 328.803 1.776 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c(C)nn1 ZINC001031697523 697576021 /nfs/dbraw/zinc/57/60/21/697576021.db2.gz UHROXWZTAQQUHV-UHFFFAOYSA-N 1 2 334.423 1.807 20 30 EDEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000921413757 697597825 /nfs/dbraw/zinc/59/78/25/697597825.db2.gz SOJPXJCALMUVRV-LLVKDONJSA-N 1 2 344.234 1.303 20 30 EDEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000921413757 697597826 /nfs/dbraw/zinc/59/78/26/697597826.db2.gz SOJPXJCALMUVRV-LLVKDONJSA-N 1 2 344.234 1.303 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC000938395854 698016260 /nfs/dbraw/zinc/01/62/60/698016260.db2.gz QYLWPOSCJMSVFE-GVDBMIGSSA-N 1 2 348.406 1.525 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC000938395854 698016262 /nfs/dbraw/zinc/01/62/62/698016262.db2.gz QYLWPOSCJMSVFE-GVDBMIGSSA-N 1 2 348.406 1.525 20 30 EDEDLO CCn1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)nn1 ZINC001032081634 698356624 /nfs/dbraw/zinc/35/66/24/698356624.db2.gz UKFZKPFUOSEQOE-UHFFFAOYSA-N 1 2 342.378 1.171 20 30 EDEDLO C=CCO[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756273 698449153 /nfs/dbraw/zinc/44/91/53/698449153.db2.gz JIRZKVBTERPVIE-JYJNAYRXSA-N 1 2 348.447 1.265 20 30 EDEDLO Cc1cc(=O)c(C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)c[nH]1 ZINC001032100279 698727655 /nfs/dbraw/zinc/72/76/55/698727655.db2.gz MAMAWKQORWYHMW-UHFFFAOYSA-N 1 2 336.395 1.417 20 30 EDEDLO C=CCOc1cccnc1C(=O)NCC1C[NH+](Cc2cnoc2C)C1 ZINC001032114882 698959859 /nfs/dbraw/zinc/95/98/59/698959859.db2.gz MKPCFUMOVWZNRZ-UHFFFAOYSA-N 1 2 342.399 1.805 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC000941484953 701555065 /nfs/dbraw/zinc/55/50/65/701555065.db2.gz JYXAQCBLQBWVFL-UHFFFAOYSA-N 1 2 345.443 1.906 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000939010569 699054740 /nfs/dbraw/zinc/05/47/40/699054740.db2.gz YAIHIMKIGNVLDO-CABCVRRESA-N 1 2 344.459 1.717 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnn3)C2)c1 ZINC000939108291 699175867 /nfs/dbraw/zinc/17/58/67/699175867.db2.gz OLKUQOFIAUXMLN-IAQYHMDHSA-N 1 2 327.413 1.165 20 30 EDEDLO C=C1CC(C)(C(=O)N2CCN(C3C[NH+](Cc4cccnc4)C3)CC2)C1 ZINC000941559448 701582835 /nfs/dbraw/zinc/58/28/35/701582835.db2.gz ABEOUASVDBWPOS-UHFFFAOYSA-N 1 2 340.471 1.766 20 30 EDEDLO C[C@@H]1COCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031960412 701584872 /nfs/dbraw/zinc/58/48/72/701584872.db2.gz LCYRNKULCRIMGR-CXAGYDPISA-N 1 2 345.418 1.918 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](c3ccccc3)C(C)C)CC2)C1 ZINC000941579507 701588323 /nfs/dbraw/zinc/58/83/23/701588323.db2.gz DQTDWGXYVBXILL-HXUWFJFHSA-N 1 2 339.483 1.888 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4cc(F)ccc4o3)CC2)C1 ZINC000941587319 701591097 /nfs/dbraw/zinc/59/10/97/701591097.db2.gz PUCWTFFIZLMNRP-UHFFFAOYSA-N 1 2 341.386 1.647 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3ccccc3F)CC2)C1 ZINC000941607115 701594793 /nfs/dbraw/zinc/59/47/93/701594793.db2.gz HMWZUHANVANQOP-UHFFFAOYSA-N 1 2 343.446 1.565 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3ccccc3F)CC2)C1 ZINC000941662103 701607819 /nfs/dbraw/zinc/60/78/19/701607819.db2.gz WELJYWCVKADPJI-UHFFFAOYSA-N 1 2 343.446 1.610 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCN(C3C[NH+](C[C@H](F)CC)C3)CC2)cn1 ZINC000941642010 701608879 /nfs/dbraw/zinc/60/88/79/701608879.db2.gz JRAXIZQQVFZUMF-MRXNPFEDSA-N 1 2 344.434 1.253 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000939616602 699767296 /nfs/dbraw/zinc/76/72/96/699767296.db2.gz QJSHXQGGQKVMAW-CXAGYDPISA-N 1 2 338.411 1.539 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4cc(C)ccc4o3)CC2)C1 ZINC000941677443 701615889 /nfs/dbraw/zinc/61/58/89/701615889.db2.gz RJZPMYDXYGDMNH-UHFFFAOYSA-N 1 2 337.423 1.816 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)C1 ZINC000941681175 701615622 /nfs/dbraw/zinc/61/56/22/701615622.db2.gz MPHDLFQBFCADSE-RBUKOAKNSA-N 1 2 341.430 1.391 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H](C)C[C@H](C)C3)CC2)C1 ZINC000941678709 701616438 /nfs/dbraw/zinc/61/64/38/701616438.db2.gz GSAAXCKDYOGXHN-PIIMJCKOSA-N 1 2 331.504 1.910 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)CCn2cc[nH+]c2)C1 ZINC000946002458 701354386 /nfs/dbraw/zinc/35/43/86/701354386.db2.gz RSQXOEMPFPEOBC-CVEARBPZSA-N 1 2 344.459 1.935 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000941229736 701418632 /nfs/dbraw/zinc/41/86/32/701418632.db2.gz ZXYHILAQQKMGDT-UONOGXRCSA-N 1 2 330.432 1.375 20 30 EDEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4c[nH]nc43)CC2)C1 ZINC000941411042 701527109 /nfs/dbraw/zinc/52/71/09/701527109.db2.gz SITHAUQITXWXAX-QGZVFWFLSA-N 1 2 343.475 1.234 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000941413475 701528406 /nfs/dbraw/zinc/52/84/06/701528406.db2.gz ZLLSIGQFKSEHLY-ICSRJNTNSA-N 1 2 337.467 1.642 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cncc(Cl)c3C)CC2)C1 ZINC000941444939 701536462 /nfs/dbraw/zinc/53/64/62/701536462.db2.gz WPYHDQBELPZIFW-UHFFFAOYSA-N 1 2 346.862 1.509 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000941449670 701546426 /nfs/dbraw/zinc/54/64/26/701546426.db2.gz PQFWANBPIRDXKX-HNNXBMFYSA-N 1 2 344.459 1.719 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)cn1 ZINC001032136825 701901187 /nfs/dbraw/zinc/90/11/87/701901187.db2.gz IECPPQYNDKNTBV-UHFFFAOYSA-N 1 2 336.420 1.858 20 30 EDEDLO CN1C(=O)CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001032160763 702042322 /nfs/dbraw/zinc/04/23/22/702042322.db2.gz HSCAHIIWAQJCME-KRWDZBQOSA-N 1 2 340.427 1.117 20 30 EDEDLO CCc1ncncc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001032191164 702488230 /nfs/dbraw/zinc/48/82/30/702488230.db2.gz SSVAACVTVQBAPG-UHFFFAOYSA-N 1 2 341.440 1.834 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C[C@H]2C)cn1 ZINC000944213167 702541836 /nfs/dbraw/zinc/54/18/36/702541836.db2.gz BRLNYXFHVIMPFH-WBMJQRKESA-N 1 2 338.415 1.130 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)C[C@H]2C)cn1 ZINC000944213167 702541843 /nfs/dbraw/zinc/54/18/43/702541843.db2.gz BRLNYXFHVIMPFH-WBMJQRKESA-N 1 2 338.415 1.130 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nc(C)no3)C(C)(C)C2)nc1 ZINC000996529809 702845913 /nfs/dbraw/zinc/84/59/13/702845913.db2.gz XMGNBHZWAXDPAE-HNNXBMFYSA-N 1 2 339.399 1.395 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC1 ZINC000942600880 703116973 /nfs/dbraw/zinc/11/69/73/703116973.db2.gz WJJUHXTVMKHXON-HIFRSBDPSA-N 1 2 347.463 1.181 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC1 ZINC000942600880 703116974 /nfs/dbraw/zinc/11/69/74/703116974.db2.gz WJJUHXTVMKHXON-HIFRSBDPSA-N 1 2 347.463 1.181 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3CC)C[C@@H]2C)C1 ZINC000942602342 703119148 /nfs/dbraw/zinc/11/91/48/703119148.db2.gz HSUDUCZWERUNLN-LSDHHAIUSA-N 1 2 331.464 1.981 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3CC)C[C@@H]2C)C1 ZINC000942602342 703119151 /nfs/dbraw/zinc/11/91/51/703119151.db2.gz HSUDUCZWERUNLN-LSDHHAIUSA-N 1 2 331.464 1.981 20 30 EDEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CC[NH+](Cc2ncnn2C)CC1 ZINC000997023561 703276059 /nfs/dbraw/zinc/27/60/59/703276059.db2.gz QHCHPZWAZSRVPS-GFCCVEGCSA-N 1 2 341.419 1.045 20 30 EDEDLO CCn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)n1 ZINC001032391041 703380364 /nfs/dbraw/zinc/38/03/64/703380364.db2.gz ISRCMOMVHJCHKF-HOTGVXAUSA-N 1 2 336.399 1.269 20 30 EDEDLO CCn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)n1 ZINC001032391041 703380365 /nfs/dbraw/zinc/38/03/65/703380365.db2.gz ISRCMOMVHJCHKF-HOTGVXAUSA-N 1 2 336.399 1.269 20 30 EDEDLO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC000997168228 703458578 /nfs/dbraw/zinc/45/85/78/703458578.db2.gz DAVYXACFXYSUBA-IIAWOOMASA-N 1 2 343.899 1.675 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3ccncn3)C2)ccc1F ZINC001032059840 703497987 /nfs/dbraw/zinc/49/79/87/703497987.db2.gz VYYFAHYJLPKXPP-UHFFFAOYSA-N 1 2 325.347 1.349 20 30 EDEDLO C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C1CCN(CC#N)CC1 ZINC000997245283 703531225 /nfs/dbraw/zinc/53/12/25/703531225.db2.gz VEHXONRWUZOQHY-CRAIPNDOSA-N 1 2 348.491 1.228 20 30 EDEDLO C[C@@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C1CCN(CC#N)CC1 ZINC000997245283 703531227 /nfs/dbraw/zinc/53/12/27/703531227.db2.gz VEHXONRWUZOQHY-CRAIPNDOSA-N 1 2 348.491 1.228 20 30 EDEDLO CCc1n[nH]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032492574 703771619 /nfs/dbraw/zinc/77/16/19/703771619.db2.gz NZIHPJIHWJWHIC-HOTGVXAUSA-N 1 2 335.411 1.943 20 30 EDEDLO CCc1n[nH]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032492574 703771621 /nfs/dbraw/zinc/77/16/21/703771621.db2.gz NZIHPJIHWJWHIC-HOTGVXAUSA-N 1 2 335.411 1.943 20 30 EDEDLO 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KJBRGIDUSSGGKL-AWEZNQCLSA-N 1 2 329.429 1.998 20 30 EDEDLO Cc1nnsc1C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001033022617 711375778 /nfs/dbraw/zinc/37/57/78/711375778.db2.gz IAYCMZIQOSNMQW-CYBMUJFWSA-N 1 2 330.417 1.393 20 30 EDEDLO Cc1nnsc1C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001033022617 711375780 /nfs/dbraw/zinc/37/57/80/711375780.db2.gz IAYCMZIQOSNMQW-CYBMUJFWSA-N 1 2 330.417 1.393 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001034957903 711430806 /nfs/dbraw/zinc/43/08/06/711430806.db2.gz OPLRPHIMYFJMQU-CQSZACIVSA-N 1 2 331.445 1.920 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cnn(CCF)c2)CC1 ZINC001004476681 711856761 /nfs/dbraw/zinc/85/67/61/711856761.db2.gz ZGEKRZQVMBCNDK-INIZCTEOSA-N 1 2 333.411 1.693 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnn(CCF)c2)CC1 ZINC001004476681 711856762 /nfs/dbraw/zinc/85/67/62/711856762.db2.gz ZGEKRZQVMBCNDK-INIZCTEOSA-N 1 2 333.411 1.693 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1 ZINC001004488250 711867455 /nfs/dbraw/zinc/86/74/55/711867455.db2.gz HCAQSYKZKQXOMM-INIZCTEOSA-N 1 2 328.416 1.556 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2ccc(=O)[nH]c2)CC1 ZINC001004488250 711867456 /nfs/dbraw/zinc/86/74/56/711867456.db2.gz HCAQSYKZKQXOMM-INIZCTEOSA-N 1 2 328.416 1.556 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)COC2CCOCC2)CC1 ZINC001004571081 711994186 /nfs/dbraw/zinc/99/41/86/711994186.db2.gz WRVBHIFUEDRPLO-KRWDZBQOSA-N 1 2 335.448 1.409 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)COC2CCOCC2)CC1 ZINC001004571081 711994187 /nfs/dbraw/zinc/99/41/87/711994187.db2.gz WRVBHIFUEDRPLO-KRWDZBQOSA-N 1 2 335.448 1.409 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)COc2cccnc2)CC1 ZINC001004573785 711999991 /nfs/dbraw/zinc/99/99/91/711999991.db2.gz AYAQEIDHPISYIX-QGZVFWFLSA-N 1 2 328.416 1.687 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)COc2cccnc2)CC1 ZINC001004573785 711999993 /nfs/dbraw/zinc/99/99/93/711999993.db2.gz AYAQEIDHPISYIX-QGZVFWFLSA-N 1 2 328.416 1.687 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1C#N ZINC000174842324 231321699 /nfs/dbraw/zinc/32/16/99/231321699.db2.gz FWTXZPSWWCORNH-KGLIPLIRSA-N 1 2 344.415 1.031 20 30 EDEDLO CCO[C@@H]1C[C@@H]([NH+]=C([O-])N2CCn3c[nH+]cc3C2)C12CCOCC2 ZINC000329654954 539453942 /nfs/dbraw/zinc/45/39/42/539453942.db2.gz LXODDYBYLGVQJI-HUUCEWRRSA-N 1 2 334.420 1.587 20 30 EDEDLO CCO[C@@H]1C[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C12CCOCC2 ZINC000329654954 539453947 /nfs/dbraw/zinc/45/39/47/539453947.db2.gz LXODDYBYLGVQJI-HUUCEWRRSA-N 1 2 334.420 1.587 20 30 EDEDLO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330311942 539549104 /nfs/dbraw/zinc/54/91/04/539549104.db2.gz OBLAQOXXVFIQRC-QWHCGFSZSA-N 1 2 340.449 1.359 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000030155073 212691103 /nfs/dbraw/zinc/69/11/03/212691103.db2.gz RCJBTFFBWOPXLR-ZDUSSCGKSA-N 1 2 337.826 1.735 20 30 EDEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000356096569 291301181 /nfs/dbraw/zinc/30/11/81/291301181.db2.gz FHIMKKDISBJVGD-QWRGUYRKSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000356096569 291301182 /nfs/dbraw/zinc/30/11/82/291301182.db2.gz FHIMKKDISBJVGD-QWRGUYRKSA-N 1 2 327.837 1.925 20 30 EDEDLO COc1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cc1 ZINC000566497643 306417169 /nfs/dbraw/zinc/41/71/69/306417169.db2.gz FLWSKPSMMPLRQW-UHFFFAOYSA-N 1 2 339.395 1.609 20 30 EDEDLO CCOC1CC(CNC(=O)c2cccc(C#N)c2)([NH+]2CCOCC2)C1 ZINC000195187970 139009354 /nfs/dbraw/zinc/00/93/54/139009354.db2.gz XJUVUHMMRZCVMW-UHFFFAOYSA-N 1 2 343.427 1.558 20 30 EDEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000081287851 217378596 /nfs/dbraw/zinc/37/85/96/217378596.db2.gz JNXFZPZOASEEPY-KRWDZBQOSA-N 1 2 343.427 1.770 20 30 EDEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000081287851 217378598 /nfs/dbraw/zinc/37/85/98/217378598.db2.gz JNXFZPZOASEEPY-KRWDZBQOSA-N 1 2 343.427 1.770 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246468963 139109744 /nfs/dbraw/zinc/10/97/44/139109744.db2.gz NZXXQZYIIMEZKH-OLZOCXBDSA-N 1 2 333.413 1.610 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246468963 139109745 /nfs/dbraw/zinc/10/97/45/139109745.db2.gz NZXXQZYIIMEZKH-OLZOCXBDSA-N 1 2 333.413 1.610 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(CCC)cc2)CC1 ZINC000265056592 249344389 /nfs/dbraw/zinc/34/43/89/249344389.db2.gz SKZKERKQQGOLFM-UHFFFAOYSA-N 1 2 341.455 1.536 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(CCC)cc2)CC1 ZINC000265056592 249344393 /nfs/dbraw/zinc/34/43/93/249344393.db2.gz SKZKERKQQGOLFM-UHFFFAOYSA-N 1 2 341.455 1.536 20 30 EDEDLO C=CC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000271170929 249432897 /nfs/dbraw/zinc/43/28/97/249432897.db2.gz SOMIAXLNCGOLHP-LBPRGKRZSA-N 1 2 325.386 1.296 20 30 EDEDLO C=CC[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000271170929 249432900 /nfs/dbraw/zinc/43/29/00/249432900.db2.gz SOMIAXLNCGOLHP-LBPRGKRZSA-N 1 2 325.386 1.296 20 30 EDEDLO Cn1nccc1[C@@H]1[C@H]([NH2+]C[C@@H](C#N)CCC#N)CC(=O)N1C1CC1 ZINC000346718214 250044942 /nfs/dbraw/zinc/04/49/42/250044942.db2.gz XGRSTMIOWJCWIY-MRRJBJDNSA-N 1 2 326.404 1.258 20 30 EDEDLO C=CCc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc(OC)c1OC ZINC000351721002 250062776 /nfs/dbraw/zinc/06/27/76/250062776.db2.gz LYGUCEMOPONLIZ-WBVHZDCISA-N 1 2 346.427 1.587 20 30 EDEDLO C=CCc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc(OC)c1OC ZINC000351721002 250062780 /nfs/dbraw/zinc/06/27/80/250062780.db2.gz LYGUCEMOPONLIZ-WBVHZDCISA-N 1 2 346.427 1.587 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000352006192 250068953 /nfs/dbraw/zinc/06/89/53/250068953.db2.gz HSWOXZLEJLSDAB-JBWWOZQKSA-N 1 2 348.491 1.321 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000352006192 250068957 /nfs/dbraw/zinc/06/89/57/250068957.db2.gz HSWOXZLEJLSDAB-JBWWOZQKSA-N 1 2 348.491 1.321 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000352239232 250075779 /nfs/dbraw/zinc/07/57/79/250075779.db2.gz TZCXFNVOXIVZOU-CQSZACIVSA-N 1 2 325.453 1.074 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000352239232 250075780 /nfs/dbraw/zinc/07/57/80/250075780.db2.gz TZCXFNVOXIVZOU-CQSZACIVSA-N 1 2 325.453 1.074 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355125609 250106934 /nfs/dbraw/zinc/10/69/34/250106934.db2.gz MPRMJNNIGJQIEA-UHFFFAOYSA-N 1 2 325.416 1.276 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2c1OCO2 ZINC000355332371 250112385 /nfs/dbraw/zinc/11/23/85/250112385.db2.gz KLSGMMSFKGJWSM-UHFFFAOYSA-N 1 2 331.372 1.103 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000355881572 250123752 /nfs/dbraw/zinc/12/37/52/250123752.db2.gz MEGPGVUOOGJAKQ-ZQIUZPCESA-N 1 2 339.411 1.647 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000355881572 250123754 /nfs/dbraw/zinc/12/37/54/250123754.db2.gz MEGPGVUOOGJAKQ-ZQIUZPCESA-N 1 2 339.411 1.647 20 30 EDEDLO C=CCOCC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000354885951 250100286 /nfs/dbraw/zinc/10/02/86/250100286.db2.gz PAGWAWDGRBYXRJ-QGZVFWFLSA-N 1 2 332.444 1.939 20 30 EDEDLO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000365950761 250187966 /nfs/dbraw/zinc/18/79/66/250187966.db2.gz PJEWTBFWVYOQAV-GUDVDZBRSA-N 1 2 349.519 1.844 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000377840089 250294079 /nfs/dbraw/zinc/29/40/79/250294079.db2.gz PJQZMMVXQBOZAR-KGLIPLIRSA-N 1 2 329.466 1.099 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000377840089 250294084 /nfs/dbraw/zinc/29/40/84/250294084.db2.gz PJQZMMVXQBOZAR-KGLIPLIRSA-N 1 2 329.466 1.099 20 30 EDEDLO COC[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000251657024 139202152 /nfs/dbraw/zinc/20/21/52/139202152.db2.gz HUWDCBBJAUJLKN-WBAXXEDZSA-N 1 2 343.427 1.789 20 30 EDEDLO COC[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000251657024 139202153 /nfs/dbraw/zinc/20/21/53/139202153.db2.gz HUWDCBBJAUJLKN-WBAXXEDZSA-N 1 2 343.427 1.789 20 30 EDEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)nn1 ZINC000424294546 252191090 /nfs/dbraw/zinc/19/10/90/252191090.db2.gz KWVIWQKHBJTBCJ-LLVKDONJSA-N 1 2 338.408 1.858 20 30 EDEDLO COc1ccc(C[C@H](CO)CNc2cc(C)[nH+]cc2C#N)cc1O ZINC000425226002 252302474 /nfs/dbraw/zinc/30/24/74/252302474.db2.gz HAYALWWEABJXIN-AWEZNQCLSA-N 1 2 327.384 1.661 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2C[C@H]2CCCCO2)CC1 ZINC000491069210 255117832 /nfs/dbraw/zinc/11/78/32/255117832.db2.gz UPSXNLMBZWYLOP-MRXNPFEDSA-N 1 2 329.448 1.480 20 30 EDEDLO C#CC[N@@H+](CC[C@@H](C(=O)OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491387063 255124946 /nfs/dbraw/zinc/12/49/46/255124946.db2.gz WWPJSFKZZMYSIS-IAGOWNOFSA-N 1 2 349.452 1.456 20 30 EDEDLO C#CC[N@H+](CC[C@@H](C(=O)OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000491387063 255124947 /nfs/dbraw/zinc/12/49/47/255124947.db2.gz WWPJSFKZZMYSIS-IAGOWNOFSA-N 1 2 349.452 1.456 20 30 EDEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2c(F)cccc2Cl)CC1 ZINC000490925682 255109506 /nfs/dbraw/zinc/10/95/06/255109506.db2.gz XILKHFCBZHEZCM-ZDUSSCGKSA-N 1 2 337.826 1.907 20 30 EDEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000492605703 255182520 /nfs/dbraw/zinc/18/25/20/255182520.db2.gz UDTBPNATHZKVQQ-VOTSOKGWSA-N 1 2 336.399 1.532 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494289986 255244466 /nfs/dbraw/zinc/24/44/66/255244466.db2.gz HHRFRXWXLFLLJK-UHFFFAOYSA-N 1 2 341.386 1.808 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494289986 255244467 /nfs/dbraw/zinc/24/44/67/255244467.db2.gz HHRFRXWXLFLLJK-UHFFFAOYSA-N 1 2 341.386 1.808 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000497202623 255474439 /nfs/dbraw/zinc/47/44/39/255474439.db2.gz OHQFGQINSBPZQK-CQSZACIVSA-N 1 2 347.419 1.854 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(CC)cc2)CC1 ZINC000119090646 221242058 /nfs/dbraw/zinc/24/20/58/221242058.db2.gz ATOHDGUIYFMYAH-UHFFFAOYSA-N 1 2 341.455 1.075 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(CC)cc2)CC1 ZINC000119090646 221242061 /nfs/dbraw/zinc/24/20/61/221242061.db2.gz ATOHDGUIYFMYAH-UHFFFAOYSA-N 1 2 341.455 1.075 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H](C)C1 ZINC000352641123 285330132 /nfs/dbraw/zinc/33/01/32/285330132.db2.gz OCMXYBIVMBWLQT-NSHDSACASA-N 1 2 338.389 1.181 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H](C)C1 ZINC000352641123 285330138 /nfs/dbraw/zinc/33/01/38/285330138.db2.gz OCMXYBIVMBWLQT-NSHDSACASA-N 1 2 338.389 1.181 20 30 EDEDLO C#Cc1ccc(CNC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000297514173 533338438 /nfs/dbraw/zinc/33/84/38/533338438.db2.gz GZWXJPOWTPWYNR-UHFFFAOYSA-N 1 2 335.411 1.798 20 30 EDEDLO CN(C)c1ncc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)s1 ZINC000271034374 140224605 /nfs/dbraw/zinc/22/46/05/140224605.db2.gz ILPKEJLMIZFFJS-UHFFFAOYSA-N 1 2 328.445 1.798 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000331957279 141103013 /nfs/dbraw/zinc/10/30/13/141103013.db2.gz PVHZZFLGNDXZIL-ZDUSSCGKSA-N 1 2 348.403 1.750 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C[C@@H]21 ZINC000332196924 141138403 /nfs/dbraw/zinc/13/84/03/141138403.db2.gz RMYLJLMHWNBMEO-JKSUJKDBSA-N 1 2 331.391 1.516 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C[C@@H]21 ZINC000332196924 141138405 /nfs/dbraw/zinc/13/84/05/141138405.db2.gz RMYLJLMHWNBMEO-JKSUJKDBSA-N 1 2 331.391 1.516 20 30 EDEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@](C)(F)C3)CC2)o1 ZINC000332418258 141178639 /nfs/dbraw/zinc/17/86/39/141178639.db2.gz VNCAHPXSKJETGM-QGZVFWFLSA-N 1 2 349.410 1.327 20 30 EDEDLO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@](C)(F)C3)CC2)o1 ZINC000332418258 141178640 /nfs/dbraw/zinc/17/86/40/141178640.db2.gz VNCAHPXSKJETGM-QGZVFWFLSA-N 1 2 349.410 1.327 20 30 EDEDLO C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+]1CCOCC1 ZINC000332566181 141204653 /nfs/dbraw/zinc/20/46/53/141204653.db2.gz ZNHGIBZLDQHJMJ-HNNXBMFYSA-N 1 2 343.427 1.649 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCSC[C@H]3CCO)o2)cc1 ZINC000347361441 143312691 /nfs/dbraw/zinc/31/26/91/143312691.db2.gz AIAATQYJPJFNKI-CQSZACIVSA-N 1 2 330.413 1.908 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCSC[C@H]3CCO)o2)cc1 ZINC000347361441 143312692 /nfs/dbraw/zinc/31/26/92/143312692.db2.gz AIAATQYJPJFNKI-CQSZACIVSA-N 1 2 330.413 1.908 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)CNC(=O)c1ccc(C#N)cc1)C2 ZINC000369827279 155193499 /nfs/dbraw/zinc/19/34/99/155193499.db2.gz FHMZSCADPVWXET-UHFFFAOYSA-N 1 2 337.383 1.144 20 30 EDEDLO N#Cc1ccccc1OCC[NH+]1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000369906744 155226205 /nfs/dbraw/zinc/22/62/05/155226205.db2.gz RIBXXAOAIXVUMF-QGZVFWFLSA-N 1 2 342.443 1.223 20 30 EDEDLO N#Cc1cc(CN2CCOCC2)cn(Cc2[nH+]ccn2C(F)F)c1=O ZINC000573546659 306623550 /nfs/dbraw/zinc/62/35/50/306623550.db2.gz NVIVRUYDRROAPH-UHFFFAOYSA-N 1 2 349.341 1.192 20 30 EDEDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355094408 150113690 /nfs/dbraw/zinc/11/36/90/150113690.db2.gz GVSPNEKVQILXKP-CQSZACIVSA-N 1 2 329.448 1.769 20 30 EDEDLO COCc1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000356258546 150572735 /nfs/dbraw/zinc/57/27/35/150572735.db2.gz PKISLDUEQJEMPE-UHFFFAOYSA-N 1 2 327.388 1.405 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000357472049 151042124 /nfs/dbraw/zinc/04/21/24/151042124.db2.gz PKTKLHUBRLWULO-UHFFFAOYSA-N 1 2 326.381 1.826 20 30 EDEDLO C[C@@H](NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(=O)N(C)C ZINC000374299046 157230231 /nfs/dbraw/zinc/23/02/31/157230231.db2.gz AXDREEKTNCHISF-CQSZACIVSA-N 1 2 340.427 1.240 20 30 EDEDLO C[C@@H](NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C(=O)N(C)C ZINC000374299046 157230235 /nfs/dbraw/zinc/23/02/35/157230235.db2.gz AXDREEKTNCHISF-CQSZACIVSA-N 1 2 340.427 1.240 20 30 EDEDLO N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)cc2)c1N ZINC000378197846 158106590 /nfs/dbraw/zinc/10/65/90/158106590.db2.gz CYHGPLULKIFGER-ZDUSSCGKSA-N 1 2 347.382 1.337 20 30 EDEDLO N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)cc2)c1N ZINC000378197846 158106591 /nfs/dbraw/zinc/10/65/91/158106591.db2.gz CYHGPLULKIFGER-ZDUSSCGKSA-N 1 2 347.382 1.337 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](CC)CN1C(C)=O ZINC000472323508 287182211 /nfs/dbraw/zinc/18/22/11/287182211.db2.gz IBPAHTVWPYKYQR-NUJGCVRESA-N 1 2 336.480 1.762 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](CC)CN1C(C)=O ZINC000472323508 287182213 /nfs/dbraw/zinc/18/22/13/287182213.db2.gz IBPAHTVWPYKYQR-NUJGCVRESA-N 1 2 336.480 1.762 20 30 EDEDLO COc1ccc(C#N)cc1CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000122630671 287382105 /nfs/dbraw/zinc/38/21/05/287382105.db2.gz ALYXSZFUJVTDRV-CQSZACIVSA-N 1 2 342.443 1.352 20 30 EDEDLO COc1c(C[NH+]2CCN(c3ncccc3C#N)CC2)c(C)nn1C ZINC000122945094 222188464 /nfs/dbraw/zinc/18/84/64/222188464.db2.gz VCQXXWMTUZWCLC-UHFFFAOYSA-N 1 2 326.404 1.326 20 30 EDEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccco1 ZINC000151012243 287591159 /nfs/dbraw/zinc/59/11/59/287591159.db2.gz FYYHOXXEBRTOBD-ZDUSSCGKSA-N 1 2 337.376 1.872 20 30 EDEDLO N#Cc1ncn(-c2ccccc2NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000426822648 270012686 /nfs/dbraw/zinc/01/26/86/270012686.db2.gz DTQVGTKXBFHXNN-GFCCVEGCSA-N 1 2 333.355 1.537 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(C#N)n1C ZINC000450171183 270013566 /nfs/dbraw/zinc/01/35/66/270013566.db2.gz GZVSHOMMKITWDT-UHFFFAOYSA-N 1 2 325.372 1.689 20 30 EDEDLO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000296187853 267106881 /nfs/dbraw/zinc/10/68/81/267106881.db2.gz LONJEPVCBBCMCN-CJNGLKHVSA-N 1 2 339.399 1.528 20 30 EDEDLO C[C@@H]1[C@@H](O)CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000296187853 267106884 /nfs/dbraw/zinc/10/68/84/267106884.db2.gz LONJEPVCBBCMCN-CJNGLKHVSA-N 1 2 339.399 1.528 20 30 EDEDLO CCOC(=O)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCCC1 ZINC000435004925 267117165 /nfs/dbraw/zinc/11/71/65/267117165.db2.gz VPVAYKPMUCWFJU-UHFFFAOYSA-N 1 2 343.427 1.982 20 30 EDEDLO CCOC(=O)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCCC1 ZINC000435004925 267117169 /nfs/dbraw/zinc/11/71/69/267117169.db2.gz VPVAYKPMUCWFJU-UHFFFAOYSA-N 1 2 343.427 1.982 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000285808083 267142976 /nfs/dbraw/zinc/14/29/76/267142976.db2.gz GGIOSFTWLWYLEY-BFYDXBDKSA-N 1 2 342.443 1.680 20 30 EDEDLO Cc1nc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)ccc1C#N ZINC000194721148 267577201 /nfs/dbraw/zinc/57/72/01/267577201.db2.gz QERBJDYARKACSQ-UHFFFAOYSA-N 1 2 328.376 1.371 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(C#N)c1C ZINC000528749381 268105070 /nfs/dbraw/zinc/10/50/70/268105070.db2.gz CLEFGFKKELJSOK-UYHISHBKSA-N 1 2 349.431 1.408 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(C#N)c1C ZINC000528749381 268105073 /nfs/dbraw/zinc/10/50/73/268105073.db2.gz CLEFGFKKELJSOK-UYHISHBKSA-N 1 2 349.431 1.408 20 30 EDEDLO N#Cc1ccc(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC000527729541 268216186 /nfs/dbraw/zinc/21/61/86/268216186.db2.gz XJMVBCKFXMSSAB-UHFFFAOYSA-N 1 2 326.425 1.902 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000329454419 268305769 /nfs/dbraw/zinc/30/57/69/268305769.db2.gz PPGQZBMWDAZMOR-JTQLQIEISA-N 1 2 333.373 1.674 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000329454419 268305771 /nfs/dbraw/zinc/30/57/71/268305771.db2.gz PPGQZBMWDAZMOR-JTQLQIEISA-N 1 2 333.373 1.674 20 30 EDEDLO COC(=O)CCCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000275391324 268335562 /nfs/dbraw/zinc/33/55/62/268335562.db2.gz QZPTUCJQFDPRHI-UHFFFAOYSA-N 1 2 343.427 1.936 20 30 EDEDLO Cn1c[nH+]c2c1CCN([C@@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000363318629 279386569 /nfs/dbraw/zinc/38/65/69/279386569.db2.gz SVWJIGWMWNNQLP-CQSZACIVSA-N 1 2 327.413 1.517 20 30 EDEDLO N#Cc1cc(F)c(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c(F)c1 ZINC000374544481 279503790 /nfs/dbraw/zinc/50/37/90/279503790.db2.gz GEIBTQNXLZXQLG-HNNXBMFYSA-N 1 2 334.370 1.627 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414612951 447315315 /nfs/dbraw/zinc/31/53/15/447315315.db2.gz PXDFNTZTQHYACO-HZPDHXFCSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414612951 447315317 /nfs/dbraw/zinc/31/53/17/447315317.db2.gz PXDFNTZTQHYACO-HZPDHXFCSA-N 1 2 342.443 1.337 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)c1ccccc1 ZINC000372736987 303151904 /nfs/dbraw/zinc/15/19/04/303151904.db2.gz HOEHHHKNXBKUQU-YXJHDRRASA-N 1 2 340.427 1.519 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)c1ccccc1 ZINC000372736987 303151905 /nfs/dbraw/zinc/15/19/05/303151905.db2.gz HOEHHHKNXBKUQU-YXJHDRRASA-N 1 2 340.427 1.519 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000435007522 305134429 /nfs/dbraw/zinc/13/44/29/305134429.db2.gz FDSOLFHJOZNLIU-UHFFFAOYSA-N 1 2 349.438 1.668 20 30 EDEDLO N#C[C@@H]1C[N@@H+](CC[C@H]2CCOC2=O)C[C@@]12C(=O)Nc1ccccc12 ZINC000378291015 447414310 /nfs/dbraw/zinc/41/43/10/447414310.db2.gz NPBNDMJLGCSUIV-VEVIJQCQSA-N 1 2 325.368 1.285 20 30 EDEDLO N#C[C@@H]1C[N@H+](CC[C@H]2CCOC2=O)C[C@@]12C(=O)Nc1ccccc12 ZINC000378291015 447414315 /nfs/dbraw/zinc/41/43/15/447414315.db2.gz NPBNDMJLGCSUIV-VEVIJQCQSA-N 1 2 325.368 1.285 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000378451210 447431000 /nfs/dbraw/zinc/43/10/00/447431000.db2.gz JRDYBOWQKPOYER-HNNXBMFYSA-N 1 2 336.480 1.857 20 30 EDEDLO CN1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000044265906 440829949 /nfs/dbraw/zinc/82/99/49/440829949.db2.gz NXDJUEKNHMGPFL-QGZVFWFLSA-N 1 2 340.427 1.071 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081048882 441226075 /nfs/dbraw/zinc/22/60/75/441226075.db2.gz PXGLYCUVTBUCHF-QMTHXVAHSA-N 1 2 327.306 1.884 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081048882 441226080 /nfs/dbraw/zinc/22/60/80/441226080.db2.gz PXGLYCUVTBUCHF-QMTHXVAHSA-N 1 2 327.306 1.884 20 30 EDEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000060464206 441245495 /nfs/dbraw/zinc/24/54/95/441245495.db2.gz NGWVOSGXZMMNSP-KRWDZBQOSA-N 1 2 329.400 1.260 20 30 EDEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000060481657 441246274 /nfs/dbraw/zinc/24/62/74/441246274.db2.gz RNWBNJCCBKLFQO-UHFFFAOYSA-N 1 2 341.459 1.770 20 30 EDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(NC(N)=O)CC2)cc1Cl ZINC000081540168 441284857 /nfs/dbraw/zinc/28/48/57/441284857.db2.gz JGAZCLSWKSRGNI-UHFFFAOYSA-N 1 2 335.795 1.283 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NC3CCCC3)CC2)cc1 ZINC000023258474 441292420 /nfs/dbraw/zinc/29/24/20/441292420.db2.gz SGJRVXSOFQPSHE-UHFFFAOYSA-N 1 2 326.444 1.735 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000081582098 441292945 /nfs/dbraw/zinc/29/29/45/441292945.db2.gz MBKWAEPUFURMAW-UHFFFAOYSA-N 1 2 348.410 1.502 20 30 EDEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000026174813 441368924 /nfs/dbraw/zinc/36/89/24/441368924.db2.gz ITYIZZPHQZOUBL-CQSZACIVSA-N 1 2 325.409 1.601 20 30 EDEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000026174813 441368929 /nfs/dbraw/zinc/36/89/29/441368929.db2.gz ITYIZZPHQZOUBL-CQSZACIVSA-N 1 2 325.409 1.601 20 30 EDEDLO CCOC(=O)C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000028708713 441436269 /nfs/dbraw/zinc/43/62/69/441436269.db2.gz ULYHNZMWGWCSNI-KRWDZBQOSA-N 1 2 341.411 1.939 20 30 EDEDLO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000030135488 441484816 /nfs/dbraw/zinc/48/48/16/441484816.db2.gz WYGYRYODFKGFIA-UHFFFAOYSA-N 1 2 339.436 1.991 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)CCCC#N)C[C@H](C)O1 ZINC000111333227 441533567 /nfs/dbraw/zinc/53/35/67/441533567.db2.gz ORQUFRSHKWTCQN-ZNMIVQPWSA-N 1 2 329.466 1.194 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)CCCC#N)C[C@H](C)O1 ZINC000111333227 441533573 /nfs/dbraw/zinc/53/35/73/441533573.db2.gz ORQUFRSHKWTCQN-ZNMIVQPWSA-N 1 2 329.466 1.194 20 30 EDEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000113001752 441577627 /nfs/dbraw/zinc/57/76/27/441577627.db2.gz HKIWBLRTXXRYFW-HIFRSBDPSA-N 1 2 340.445 1.053 20 30 EDEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000113001752 441577631 /nfs/dbraw/zinc/57/76/31/441577631.db2.gz HKIWBLRTXXRYFW-HIFRSBDPSA-N 1 2 340.445 1.053 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000034868283 441602163 /nfs/dbraw/zinc/60/21/63/441602163.db2.gz OZSOWPSLNGMREU-SFHVURJKSA-N 1 2 330.432 1.569 20 30 EDEDLO C=CC[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000067400008 441636521 /nfs/dbraw/zinc/63/65/21/441636521.db2.gz BUGSYEKTYXXIKF-OAHLLOKOSA-N 1 2 340.420 1.829 20 30 EDEDLO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000067400008 441636529 /nfs/dbraw/zinc/63/65/29/441636529.db2.gz BUGSYEKTYXXIKF-OAHLLOKOSA-N 1 2 340.420 1.829 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(-c3ccccc3F)n2)CC1 ZINC000068444601 441800514 /nfs/dbraw/zinc/80/05/14/441800514.db2.gz REHJBRUPHLLXDM-UHFFFAOYSA-N 1 2 326.375 1.793 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000160404428 441877815 /nfs/dbraw/zinc/87/78/15/441877815.db2.gz GGLQRMLFLLQDRR-CYBMUJFWSA-N 1 2 337.445 1.113 20 30 EDEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000161008706 441946618 /nfs/dbraw/zinc/94/66/18/441946618.db2.gz YFYFSUQKTLWWHF-SFHVURJKSA-N 1 2 328.412 1.522 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000151131487 442011259 /nfs/dbraw/zinc/01/12/59/442011259.db2.gz GQFLLYPADLVQCJ-CQSZACIVSA-N 1 2 330.369 1.190 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000120340164 442053487 /nfs/dbraw/zinc/05/34/87/442053487.db2.gz RKCGCENYMQXXIZ-UHFFFAOYSA-N 1 2 326.381 1.727 20 30 EDEDLO CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000175425495 442061307 /nfs/dbraw/zinc/06/13/07/442061307.db2.gz SZMKMALTJHFBFZ-GJZGRUSLSA-N 1 2 346.435 1.728 20 30 EDEDLO CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000175425495 442061311 /nfs/dbraw/zinc/06/13/11/442061311.db2.gz SZMKMALTJHFBFZ-GJZGRUSLSA-N 1 2 346.435 1.728 20 30 EDEDLO N#CCCn1ccc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000162144423 442068471 /nfs/dbraw/zinc/06/84/71/442068471.db2.gz LLYNTFQXOYFSEM-CQSZACIVSA-N 1 2 339.403 1.982 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)COc2ccccc2)c1 ZINC000079905329 442096030 /nfs/dbraw/zinc/09/60/30/442096030.db2.gz DUSOABFXJQKGLT-GOSISDBHSA-N 1 2 338.407 1.978 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)COc2ccccc2)c1 ZINC000079905329 442096039 /nfs/dbraw/zinc/09/60/39/442096039.db2.gz DUSOABFXJQKGLT-GOSISDBHSA-N 1 2 338.407 1.978 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1[nH]nc2ccccc21 ZINC000162520575 442100510 /nfs/dbraw/zinc/10/05/10/442100510.db2.gz MEYHAJGCRSIFOP-UHFFFAOYSA-N 1 2 341.415 1.180 20 30 EDEDLO N#CC1(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCSCC1 ZINC000162602767 442107416 /nfs/dbraw/zinc/10/74/16/442107416.db2.gz XBPGDCXUXPRKTL-MRXNPFEDSA-N 1 2 345.468 1.793 20 30 EDEDLO N#CC1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCSCC1 ZINC000162602767 442107424 /nfs/dbraw/zinc/10/74/24/442107424.db2.gz XBPGDCXUXPRKTL-MRXNPFEDSA-N 1 2 345.468 1.793 20 30 EDEDLO CCS(=O)(=O)N(C)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000121238747 442195144 /nfs/dbraw/zinc/19/51/44/442195144.db2.gz IDKXOTCEQRSLRS-UHFFFAOYSA-N 1 2 338.448 1.923 20 30 EDEDLO CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000175948149 442151192 /nfs/dbraw/zinc/15/11/92/442151192.db2.gz VTLRFNYMBNVFDB-UHFFFAOYSA-N 1 2 341.346 1.413 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)oc1C ZINC000096993211 442153393 /nfs/dbraw/zinc/15/33/93/442153393.db2.gz OAJVIFVXERZTPM-UHFFFAOYSA-N 1 2 340.383 1.964 20 30 EDEDLO C=CCc1cc(C[NH+]2CCN(CC(=O)NCC)CC2)cc(OC)c1O ZINC000129172945 442305218 /nfs/dbraw/zinc/30/52/18/442305218.db2.gz YLVFVJIPSIAWJT-UHFFFAOYSA-N 1 2 347.459 1.383 20 30 EDEDLO C=CCc1cc(CN2CC[NH+](CC(=O)NCC)CC2)cc(OC)c1O ZINC000129172945 442305220 /nfs/dbraw/zinc/30/52/20/442305220.db2.gz YLVFVJIPSIAWJT-UHFFFAOYSA-N 1 2 347.459 1.383 20 30 EDEDLO COC(=O)[C@@]1(C)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000177460860 442344067 /nfs/dbraw/zinc/34/40/67/442344067.db2.gz NPEGXCMUPBBWDK-INIZCTEOSA-N 1 2 336.413 1.217 20 30 EDEDLO COC(=O)[C@@]1(C)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000177460860 442344068 /nfs/dbraw/zinc/34/40/68/442344068.db2.gz NPEGXCMUPBBWDK-INIZCTEOSA-N 1 2 336.413 1.217 20 30 EDEDLO Cc1ccc(-c2cnc(CO[NH+]=C(N)CN3CCOCC3)o2)cc1 ZINC000131554627 442374262 /nfs/dbraw/zinc/37/42/62/442374262.db2.gz NNDPGWVGIQHXGM-UHFFFAOYSA-N 1 2 330.388 1.771 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000192067194 442583182 /nfs/dbraw/zinc/58/31/82/442583182.db2.gz QITMJWFKBJQFHD-OAHLLOKOSA-N 1 2 344.434 1.826 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c(F)c1 ZINC000135994170 442645304 /nfs/dbraw/zinc/64/53/04/442645304.db2.gz AHEUEOAPPORTKZ-UHFFFAOYSA-N 1 2 341.346 1.649 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000192223361 442616944 /nfs/dbraw/zinc/61/69/44/442616944.db2.gz WBKOMNDQLYAWAA-UHFFFAOYSA-N 1 2 338.205 1.069 20 30 EDEDLO C#CC[N@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000192223361 442616945 /nfs/dbraw/zinc/61/69/45/442616945.db2.gz WBKOMNDQLYAWAA-UHFFFAOYSA-N 1 2 338.205 1.069 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(S(=O)(=O)CC)CC1 ZINC000193251031 442725903 /nfs/dbraw/zinc/72/59/03/442725903.db2.gz AYVSQPJPCBOKBM-CQSZACIVSA-N 1 2 328.478 1.475 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000193376491 442737438 /nfs/dbraw/zinc/73/74/38/442737438.db2.gz YZRBNDFXGORVNZ-QGZVFWFLSA-N 1 2 331.391 1.957 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000193376491 442737440 /nfs/dbraw/zinc/73/74/40/442737440.db2.gz YZRBNDFXGORVNZ-QGZVFWFLSA-N 1 2 331.391 1.957 20 30 EDEDLO CCN(CC)C(=O)C[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182584497 442791133 /nfs/dbraw/zinc/79/11/33/442791133.db2.gz RBEMIDKSEVGNNG-KRWDZBQOSA-N 1 2 342.443 1.854 20 30 EDEDLO CCN(CC)C(=O)C[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182584497 442791136 /nfs/dbraw/zinc/79/11/36/442791136.db2.gz RBEMIDKSEVGNNG-KRWDZBQOSA-N 1 2 342.443 1.854 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000182895248 442844174 /nfs/dbraw/zinc/84/41/74/442844174.db2.gz AJDHTYRZWSJQDP-IAGOWNOFSA-N 1 2 333.432 1.296 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000248567853 442901624 /nfs/dbraw/zinc/90/16/24/442901624.db2.gz NSANRGLYRNGQJL-FVQHAEBGSA-N 1 2 333.476 1.342 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000248567853 442901630 /nfs/dbraw/zinc/90/16/30/442901630.db2.gz NSANRGLYRNGQJL-FVQHAEBGSA-N 1 2 333.476 1.342 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)S1 ZINC000268505308 443013352 /nfs/dbraw/zinc/01/33/52/443013352.db2.gz QUPSAYQDTULFFP-JTQLQIEISA-N 1 2 332.389 1.475 20 30 EDEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)CN1CC[NH2+]CC1=O ZINC000237737603 443181214 /nfs/dbraw/zinc/18/12/14/443181214.db2.gz POWBRLAISCVRLC-UHFFFAOYSA-N 1 2 327.837 1.348 20 30 EDEDLO CCc1nnc(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)[nH]1 ZINC000190644538 443155712 /nfs/dbraw/zinc/15/57/12/443155712.db2.gz IWVJPOMFSKNQBD-KRWDZBQOSA-N 1 2 330.436 1.355 20 30 EDEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)n1 ZINC000190644538 443155717 /nfs/dbraw/zinc/15/57/17/443155717.db2.gz IWVJPOMFSKNQBD-KRWDZBQOSA-N 1 2 330.436 1.355 20 30 EDEDLO CCc1nc(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)n[nH]1 ZINC000190644538 443155722 /nfs/dbraw/zinc/15/57/22/443155722.db2.gz IWVJPOMFSKNQBD-KRWDZBQOSA-N 1 2 330.436 1.355 20 30 EDEDLO C=C1CC[NH+](CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000266750754 443228940 /nfs/dbraw/zinc/22/89/40/443228940.db2.gz PTKPVBGPUZTKMN-CQSZACIVSA-N 1 2 333.407 1.771 20 30 EDEDLO C=CCc1cc(C(=O)N(C)CC[NH+]2CCOCC2)cc(OC)c1OC ZINC000263876038 443241952 /nfs/dbraw/zinc/24/19/52/443241952.db2.gz NWZDZTGIEOIFBD-UHFFFAOYSA-N 1 2 348.443 1.837 20 30 EDEDLO N#CCCCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264032591 443246452 /nfs/dbraw/zinc/24/64/52/443246452.db2.gz CRBVAJDZZGKHGA-QGZVFWFLSA-N 1 2 330.432 1.880 20 30 EDEDLO N#CCCCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264032591 443246455 /nfs/dbraw/zinc/24/64/55/443246455.db2.gz CRBVAJDZZGKHGA-QGZVFWFLSA-N 1 2 330.432 1.880 20 30 EDEDLO CC(C)Oc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)cc1C#N ZINC000269373608 443296624 /nfs/dbraw/zinc/29/66/24/443296624.db2.gz JITVBKLEQFONFY-MRXNPFEDSA-N 1 2 345.447 1.713 20 30 EDEDLO CC(C)Oc1ccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)cc1C#N ZINC000269373608 443296626 /nfs/dbraw/zinc/29/66/26/443296626.db2.gz JITVBKLEQFONFY-MRXNPFEDSA-N 1 2 345.447 1.713 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C)CC1 ZINC000282463011 443347292 /nfs/dbraw/zinc/34/72/92/443347292.db2.gz LSAKHHODFJPKRF-UHFFFAOYSA-N 1 2 325.416 1.170 20 30 EDEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@@H](CO)C1)CCC2 ZINC000267355199 443428326 /nfs/dbraw/zinc/42/83/26/443428326.db2.gz GSDIUYRWFAJAQW-LLVKDONJSA-N 1 2 335.429 1.130 20 30 EDEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@H](CO)C1)CCC2 ZINC000267355199 443428330 /nfs/dbraw/zinc/42/83/30/443428330.db2.gz GSDIUYRWFAJAQW-LLVKDONJSA-N 1 2 335.429 1.130 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)NCCCNc2cccc[nH+]2)n1 ZINC000278660483 443394034 /nfs/dbraw/zinc/39/40/34/443394034.db2.gz AXMBCTBREALBOM-UHFFFAOYSA-N 1 2 340.431 1.945 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000272870653 443474535 /nfs/dbraw/zinc/47/45/35/443474535.db2.gz RXAAXBHIPAHRLE-GFCCVEGCSA-N 1 2 326.422 1.247 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000270960436 443485556 /nfs/dbraw/zinc/48/55/56/443485556.db2.gz UYUJPMUTCMZSOQ-AWEZNQCLSA-N 1 2 333.411 1.351 20 30 EDEDLO C=C[C@H](CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000270341313 443466593 /nfs/dbraw/zinc/46/65/93/443466593.db2.gz ORHGSNRJQPXASW-OAHLLOKOSA-N 1 2 329.444 1.754 20 30 EDEDLO CO/N=C/C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000282920447 443470370 /nfs/dbraw/zinc/47/03/70/443470370.db2.gz ISQYDFWHYWQKBG-BFERYNQYSA-N 1 2 332.360 1.275 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000283069706 443513066 /nfs/dbraw/zinc/51/30/66/443513066.db2.gz USLNABIZEQHJPR-CQSZACIVSA-N 1 2 347.444 1.500 20 30 EDEDLO Cc1cc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)nn1CCC#N ZINC000272056033 443523729 /nfs/dbraw/zinc/52/37/29/443523729.db2.gz IBLMGPWGLFVYIB-ZIAGYGMSSA-N 1 2 334.424 1.336 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000273076985 443532684 /nfs/dbraw/zinc/53/26/84/443532684.db2.gz GRZVUMCKISFQHV-BXUZGUMPSA-N 1 2 325.359 1.596 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CSc1ccc(C#N)cc1 ZINC000279403313 443578248 /nfs/dbraw/zinc/57/82/48/443578248.db2.gz WIAXMEISRNHNSJ-CQSZACIVSA-N 1 2 333.457 1.829 20 30 EDEDLO COc1cc(CO[NH+]=C(N)CCO)c([N+](=O)[O-])cc1OCC(F)F ZINC000275435412 443627700 /nfs/dbraw/zinc/62/77/00/443627700.db2.gz GQCKHWXHTYWJTA-UHFFFAOYSA-N 1 2 349.290 1.419 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CO[NH+]=C(N)CCO ZINC000275450660 443628100 /nfs/dbraw/zinc/62/81/00/443628100.db2.gz IRLUDZXPOXUHSM-LLVKDONJSA-N 1 2 336.417 1.691 20 30 EDEDLO NC(=[NH+]OCC1OCCO1)c1ccc(OCc2cccnc2)cc1 ZINC000279844301 443631409 /nfs/dbraw/zinc/63/14/09/443631409.db2.gz HORGXIFSSSQULL-UHFFFAOYSA-N 1 2 329.356 1.670 20 30 EDEDLO C=CCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000283295202 443593102 /nfs/dbraw/zinc/59/31/02/443593102.db2.gz ADDYSNZMGZHXOF-OAHLLOKOSA-N 1 2 344.390 1.847 20 30 EDEDLO C#CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 ZINC000274180562 443597536 /nfs/dbraw/zinc/59/75/36/443597536.db2.gz OSRJYGWMBMTAOT-UHFFFAOYSA-N 1 2 329.791 1.957 20 30 EDEDLO C#CC[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 ZINC000274180562 443597541 /nfs/dbraw/zinc/59/75/41/443597541.db2.gz OSRJYGWMBMTAOT-UHFFFAOYSA-N 1 2 329.791 1.957 20 30 EDEDLO COc1cc(C[NH+]2CCN(C(=O)CC#N)CC2)cc(OC)c1OC ZINC000274672663 443609691 /nfs/dbraw/zinc/60/96/91/443609691.db2.gz HTDDKWOFXQEBMG-UHFFFAOYSA-N 1 2 333.388 1.270 20 30 EDEDLO C=CCCN(C)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000276083317 443650802 /nfs/dbraw/zinc/65/08/02/443650802.db2.gz LQBJWDYKEWBCGU-UHFFFAOYSA-N 1 2 345.447 1.501 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276106211 443652258 /nfs/dbraw/zinc/65/22/58/443652258.db2.gz ZPYPJFZJTISWAR-CRAIPNDOSA-N 1 2 332.448 1.738 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276106211 443652260 /nfs/dbraw/zinc/65/22/60/443652260.db2.gz ZPYPJFZJTISWAR-CRAIPNDOSA-N 1 2 332.448 1.738 20 30 EDEDLO COc1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)CCC#N)CC2)cc1 ZINC000276258213 443676770 /nfs/dbraw/zinc/67/67/70/443676770.db2.gz APMOVVCGJOAAPR-CQSZACIVSA-N 1 2 337.445 1.694 20 30 EDEDLO C#CCCCC(=O)N1CCC[C@H](c2n[nH]cc2C[NH+]2CCOCC2)C1 ZINC000286461630 443711783 /nfs/dbraw/zinc/71/17/83/443711783.db2.gz KFUXVROJLQGVMI-INIZCTEOSA-N 1 2 344.459 1.751 20 30 EDEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[C@H]1O ZINC000286727246 443722948 /nfs/dbraw/zinc/72/29/48/443722948.db2.gz XNTFMIIGCLCBND-BPLDGKMQSA-N 1 2 340.383 1.357 20 30 EDEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[C@H]1O ZINC000286727246 443722953 /nfs/dbraw/zinc/72/29/53/443722953.db2.gz XNTFMIIGCLCBND-BPLDGKMQSA-N 1 2 340.383 1.357 20 30 EDEDLO CC(C)(C)C(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000298296987 443741062 /nfs/dbraw/zinc/74/10/62/443741062.db2.gz IYPWFDDXJOMJTB-INIZCTEOSA-N 1 2 345.443 1.488 20 30 EDEDLO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](C#N)CCC#N ZINC000292710494 443824450 /nfs/dbraw/zinc/82/44/50/443824450.db2.gz LMQIAZKREYTBNP-ZDUSSCGKSA-N 1 2 336.417 1.088 20 30 EDEDLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)C[C@H](C#N)CCC#N ZINC000292710494 443824454 /nfs/dbraw/zinc/82/44/54/443824454.db2.gz LMQIAZKREYTBNP-ZDUSSCGKSA-N 1 2 336.417 1.088 20 30 EDEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)C(C)(C)C ZINC000288285441 443832231 /nfs/dbraw/zinc/83/22/31/443832231.db2.gz DYMLDSUYLKVWHN-CYBMUJFWSA-N 1 2 325.372 1.370 20 30 EDEDLO CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)CSCC#N ZINC000285043178 443833966 /nfs/dbraw/zinc/83/39/66/443833966.db2.gz NSHYSVZDSURTEL-RDJZCZTQSA-N 1 2 333.457 1.773 20 30 EDEDLO CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)CSCC#N ZINC000285043178 443833967 /nfs/dbraw/zinc/83/39/67/443833967.db2.gz NSHYSVZDSURTEL-RDJZCZTQSA-N 1 2 333.457 1.773 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CCCS(=O)(=O)c2ccccc2)C1=O ZINC000281189602 443842873 /nfs/dbraw/zinc/84/28/73/443842873.db2.gz BNNKHDQLKGGQMQ-INIZCTEOSA-N 1 2 336.457 1.569 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CCCS(=O)(=O)c2ccccc2)C1=O ZINC000281189602 443842878 /nfs/dbraw/zinc/84/28/78/443842878.db2.gz BNNKHDQLKGGQMQ-INIZCTEOSA-N 1 2 336.457 1.569 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C1=O ZINC000281197554 443845507 /nfs/dbraw/zinc/84/55/07/443845507.db2.gz CDMMMTWXYAKYED-HNNXBMFYSA-N 1 2 346.818 1.869 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C1=O ZINC000281197554 443845511 /nfs/dbraw/zinc/84/55/11/443845511.db2.gz CDMMMTWXYAKYED-HNNXBMFYSA-N 1 2 346.818 1.869 20 30 EDEDLO C=C[C@@H](CO)NC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000292597873 443802615 /nfs/dbraw/zinc/80/26/15/443802615.db2.gz WBDAVNXAWNXLIV-IRXDYDNUSA-N 1 2 333.432 1.214 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2nc(C)c(C)s2)C1=O ZINC000281399165 443900038 /nfs/dbraw/zinc/90/00/38/443900038.db2.gz QHLRJNZBVPLQTO-YPMHNXCESA-N 1 2 336.461 1.806 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2nc(C)c(C)s2)C1=O ZINC000281399165 443900042 /nfs/dbraw/zinc/90/00/42/443900042.db2.gz QHLRJNZBVPLQTO-YPMHNXCESA-N 1 2 336.461 1.806 20 30 EDEDLO C=CCCCS(=O)(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000292997277 443897904 /nfs/dbraw/zinc/89/79/04/443897904.db2.gz MZOSMBQVBFZODJ-UHFFFAOYSA-N 1 2 325.434 1.304 20 30 EDEDLO C[C@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)n1cnc(C#N)n1 ZINC000539506606 320751987 /nfs/dbraw/zinc/75/19/87/320751987.db2.gz DEBFNQHDCURVBS-GFCCVEGCSA-N 1 2 330.417 1.117 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281507516 443930316 /nfs/dbraw/zinc/93/03/16/443930316.db2.gz YMNCPNHNBKYFDE-QLFBSQMISA-N 1 2 329.356 1.203 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281507516 443930320 /nfs/dbraw/zinc/93/03/20/443930320.db2.gz YMNCPNHNBKYFDE-QLFBSQMISA-N 1 2 329.356 1.203 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC000285411631 443975389 /nfs/dbraw/zinc/97/53/89/443975389.db2.gz UVSCQHJTKWGBMD-JTQLQIEISA-N 1 2 329.372 1.551 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC000285411631 443975394 /nfs/dbraw/zinc/97/53/94/443975394.db2.gz UVSCQHJTKWGBMD-JTQLQIEISA-N 1 2 329.372 1.551 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000281694069 443981462 /nfs/dbraw/zinc/98/14/62/443981462.db2.gz BVHIOWHPGBZNMW-NVXWUHKLSA-N 1 2 330.432 1.894 20 30 EDEDLO C=CCCCS(=O)(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000293395394 444005711 /nfs/dbraw/zinc/00/57/11/444005711.db2.gz MHJGULZBWOCXLQ-UHFFFAOYSA-N 1 2 340.493 1.707 20 30 EDEDLO C=CCCCS(=O)(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000293395394 444005713 /nfs/dbraw/zinc/00/57/13/444005713.db2.gz MHJGULZBWOCXLQ-UHFFFAOYSA-N 1 2 340.493 1.707 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000281953032 444047830 /nfs/dbraw/zinc/04/78/30/444047830.db2.gz JTQVVQKBNOGLQK-XJKSGUPXSA-N 1 2 336.457 1.870 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000281953032 444047833 /nfs/dbraw/zinc/04/78/33/444047833.db2.gz JTQVVQKBNOGLQK-XJKSGUPXSA-N 1 2 336.457 1.870 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)nc1 ZINC000552898245 320932681 /nfs/dbraw/zinc/93/26/81/320932681.db2.gz JBFSTXMQHZADNT-ZBFHGGJFSA-N 1 2 337.383 1.392 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000289442228 444145184 /nfs/dbraw/zinc/14/51/84/444145184.db2.gz DUZXGOZDEPDUDZ-ZDUSSCGKSA-N 1 2 343.427 1.943 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000289442228 444145187 /nfs/dbraw/zinc/14/51/87/444145187.db2.gz DUZXGOZDEPDUDZ-ZDUSSCGKSA-N 1 2 343.427 1.943 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000289508624 444161801 /nfs/dbraw/zinc/16/18/01/444161801.db2.gz HYDINCKXMVVXJQ-MJGOQNOKSA-N 1 2 332.444 1.812 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCOC[C@@H](O)C1 ZINC000295749121 444192567 /nfs/dbraw/zinc/19/25/67/444192567.db2.gz XEWUXRPZESNAKC-CJNGLKHVSA-N 1 2 335.379 1.154 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOC[C@@H](O)C1 ZINC000295749121 444192568 /nfs/dbraw/zinc/19/25/68/444192568.db2.gz XEWUXRPZESNAKC-CJNGLKHVSA-N 1 2 335.379 1.154 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)CO ZINC000295773357 444192754 /nfs/dbraw/zinc/19/27/54/444192754.db2.gz PZLCVNRBJNBAQW-CQSZACIVSA-N 1 2 348.428 1.330 20 30 EDEDLO Cc1nsc(N2CCN(C(=O)NCCn3cc[nH+]c3)CC2)c1C#N ZINC000290440731 444280996 /nfs/dbraw/zinc/28/09/96/444280996.db2.gz BWJAZRLCPIJJQY-UHFFFAOYSA-N 1 2 345.432 1.052 20 30 EDEDLO C#CCOc1ccc(CNC(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000297308731 444282152 /nfs/dbraw/zinc/28/21/52/444282152.db2.gz APJZVCMSWCPVQX-UHFFFAOYSA-N 1 2 331.416 1.172 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000337675594 444345528 /nfs/dbraw/zinc/34/55/28/444345528.db2.gz LIOXBDAUWBHFLJ-KRWDZBQOSA-N 1 2 342.443 1.411 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000337675594 444345531 /nfs/dbraw/zinc/34/55/31/444345531.db2.gz LIOXBDAUWBHFLJ-KRWDZBQOSA-N 1 2 342.443 1.411 20 30 EDEDLO CCNC(=O)N1CC[C@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000328772825 444347244 /nfs/dbraw/zinc/34/72/44/444347244.db2.gz BHSKWSDYIVSWAS-STQMWFEESA-N 1 2 334.424 1.132 20 30 EDEDLO CC(C)(CNC(=O)CN1CCC[C@H]2C(=O)NC[C@H]21)[NH+]1CCOCC1 ZINC000328814284 444361889 /nfs/dbraw/zinc/36/18/89/444361889.db2.gz NLJIOAWIOAKGPD-ZIAGYGMSSA-N 1 2 338.452 1.104 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000340223272 444372312 /nfs/dbraw/zinc/37/23/12/444372312.db2.gz VVHXKQBSPVTTAZ-MRXNPFEDSA-N 1 2 328.416 1.370 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCNC2=O)c1 ZINC000340223272 444372316 /nfs/dbraw/zinc/37/23/16/444372316.db2.gz VVHXKQBSPVTTAZ-MRXNPFEDSA-N 1 2 328.416 1.370 20 30 EDEDLO CC(=O)NCc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)s1 ZINC000328922087 444405038 /nfs/dbraw/zinc/40/50/38/444405038.db2.gz UHNSYAGXCUOSMP-KGLIPLIRSA-N 1 2 337.445 1.770 20 30 EDEDLO CC(=O)NCc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)s1 ZINC000328922087 444405041 /nfs/dbraw/zinc/40/50/41/444405041.db2.gz UHNSYAGXCUOSMP-KGLIPLIRSA-N 1 2 337.445 1.770 20 30 EDEDLO COc1cc([C@H](C#N)NC(=O)CCn2cc[nH+]c2)cc(OC)c1OC ZINC000340502140 444412177 /nfs/dbraw/zinc/41/21/77/444412177.db2.gz KBKWGFNJVCUJRJ-ZDUSSCGKSA-N 1 2 344.371 1.680 20 30 EDEDLO Cn1c(CC2CCCC2)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000328653264 444416063 /nfs/dbraw/zinc/41/60/63/444416063.db2.gz CEFSQGZXSSEWKF-UHFFFAOYSA-N 1 2 346.479 1.789 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)CCC3CCCC3)C[C@@H]21 ZINC000328896277 444391449 /nfs/dbraw/zinc/39/14/49/444391449.db2.gz VPJAHCGNVCJTCT-JKSUJKDBSA-N 1 2 337.464 1.845 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)CCC3CCCC3)C[C@@H]21 ZINC000328896277 444391455 /nfs/dbraw/zinc/39/14/55/444391455.db2.gz VPJAHCGNVCJTCT-JKSUJKDBSA-N 1 2 337.464 1.845 20 30 EDEDLO O=C(N[C@H]1CS(=O)(=O)c2ccccc21)[C@H]1CCn2c[nH+]cc2C1 ZINC000328895455 444391687 /nfs/dbraw/zinc/39/16/87/444391687.db2.gz BJRSOPCKAZNPFD-FZMZJTMJSA-N 1 2 331.397 1.931 20 30 EDEDLO CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000331111637 444399153 /nfs/dbraw/zinc/39/91/53/444399153.db2.gz IRFJVMNMDMGOAG-NSHDSACASA-N 1 2 334.445 1.795 20 30 EDEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)Cc1ccccc1F ZINC000340607980 444458465 /nfs/dbraw/zinc/45/84/65/444458465.db2.gz WKJILIBMDWAOCJ-OAHLLOKOSA-N 1 2 333.407 1.538 20 30 EDEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)Cc1ccccc1F ZINC000340607980 444458468 /nfs/dbraw/zinc/45/84/68/444458468.db2.gz WKJILIBMDWAOCJ-OAHLLOKOSA-N 1 2 333.407 1.538 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCCO)c[nH+]2)C[C@H](C)O1 ZINC000331276036 444461142 /nfs/dbraw/zinc/46/11/42/444461142.db2.gz QOXWLFACKYXABI-OKILXGFUSA-N 1 2 336.436 1.423 20 30 EDEDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000331293606 444462959 /nfs/dbraw/zinc/46/29/59/444462959.db2.gz QSCCTYQLXSJECI-CYBMUJFWSA-N 1 2 335.408 1.783 20 30 EDEDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000331293606 444462961 /nfs/dbraw/zinc/46/29/61/444462961.db2.gz QSCCTYQLXSJECI-CYBMUJFWSA-N 1 2 335.408 1.783 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000331449149 444472525 /nfs/dbraw/zinc/47/25/25/444472525.db2.gz LMILVFMRDJLUFQ-YOEHRIQHSA-N 1 2 336.436 1.518 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000331449149 444472527 /nfs/dbraw/zinc/47/25/27/444472527.db2.gz LMILVFMRDJLUFQ-YOEHRIQHSA-N 1 2 336.436 1.518 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC(F)F)cc3F)C[C@H]21 ZINC000328695656 444432815 /nfs/dbraw/zinc/43/28/15/444432815.db2.gz KNPCXMLCIXLPPT-CHWSQXEVSA-N 1 2 345.321 1.987 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC(F)F)cc3F)C[C@H]21 ZINC000328695656 444432818 /nfs/dbraw/zinc/43/28/18/444432818.db2.gz KNPCXMLCIXLPPT-CHWSQXEVSA-N 1 2 345.321 1.987 20 30 EDEDLO CC1CC(NC(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C1 ZINC000328989816 444436135 /nfs/dbraw/zinc/43/61/35/444436135.db2.gz FFJZHFYDQDCYNG-HLFYOVGASA-N 1 2 345.447 1.917 20 30 EDEDLO COc1nccc(NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)n1 ZINC000328728890 444442869 /nfs/dbraw/zinc/44/28/69/444442869.db2.gz FDMICUYGDBRFMM-NSHDSACASA-N 1 2 348.407 1.156 20 30 EDEDLO Cn1ccc2ccc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)cc2c1=O ZINC000329128406 444478906 /nfs/dbraw/zinc/47/89/06/444478906.db2.gz NKFHZJRDFBYAGV-JKSUJKDBSA-N 1 2 342.399 1.099 20 30 EDEDLO Cn1ccc2ccc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)cc2c1=O ZINC000329128406 444478909 /nfs/dbraw/zinc/47/89/09/444478909.db2.gz NKFHZJRDFBYAGV-JKSUJKDBSA-N 1 2 342.399 1.099 20 30 EDEDLO O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCn2cc[nH+]c2C1 ZINC000329179085 444493493 /nfs/dbraw/zinc/49/34/93/444493493.db2.gz NSJPZGOHEPLXBZ-CYBMUJFWSA-N 1 2 331.420 1.546 20 30 EDEDLO CS(=O)(=O)C1(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000329207006 444501533 /nfs/dbraw/zinc/50/15/33/444501533.db2.gz FBBAGKUZVVFGKI-LBPRGKRZSA-N 1 2 340.449 1.059 20 30 EDEDLO CS(=O)(=O)C1(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000329207006 444501536 /nfs/dbraw/zinc/50/15/36/444501536.db2.gz FBBAGKUZVVFGKI-LBPRGKRZSA-N 1 2 340.449 1.059 20 30 EDEDLO O=C(NC[C@@H]1CCCN1c1cccnn1)C1([NH+]2CCOCC2)CCC1 ZINC000329308766 444529579 /nfs/dbraw/zinc/52/95/79/444529579.db2.gz BTNDDRQVCPFMII-HNNXBMFYSA-N 1 2 345.447 1.657 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(OCCOC)c2)CC1 ZINC000338139083 444533044 /nfs/dbraw/zinc/53/30/44/444533044.db2.gz IAEGIDUISSEHDL-UHFFFAOYSA-N 1 2 347.459 1.132 20 30 EDEDLO CC(C)C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CCO1 ZINC000329431035 444576470 /nfs/dbraw/zinc/57/64/70/444576470.db2.gz HRVIGHVCHQYZFL-BZUAXINKSA-N 1 2 326.485 1.330 20 30 EDEDLO CC(C)C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CCO1 ZINC000329431035 444576475 /nfs/dbraw/zinc/57/64/75/444576475.db2.gz HRVIGHVCHQYZFL-BZUAXINKSA-N 1 2 326.485 1.330 20 30 EDEDLO Cc1nc([C@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CCO2)no1 ZINC000329355687 444547216 /nfs/dbraw/zinc/54/72/16/444547216.db2.gz VXZNSIRHHIDFGL-CYBMUJFWSA-N 1 2 346.391 1.398 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329451874 444586094 /nfs/dbraw/zinc/58/60/94/444586094.db2.gz OYXIRRSHZTZYTB-HIFRSBDPSA-N 1 2 347.415 1.451 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329451874 444586097 /nfs/dbraw/zinc/58/60/97/444586097.db2.gz OYXIRRSHZTZYTB-HIFRSBDPSA-N 1 2 347.415 1.451 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)C[C@H]21 ZINC000329483047 444598142 /nfs/dbraw/zinc/59/81/42/444598142.db2.gz QCNGLPMTISLTNP-RGCMKSIDSA-N 1 2 338.452 1.449 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCC(=O)N[C@H]3C(C)(C)C)C[C@H]21 ZINC000329483047 444598148 /nfs/dbraw/zinc/59/81/48/444598148.db2.gz QCNGLPMTISLTNP-RGCMKSIDSA-N 1 2 338.452 1.449 20 30 EDEDLO Cc1cn2cc(NC(=O)CNC(=O)c3ccc(C#N)cc3)ccc2[nH+]1 ZINC000343811329 444605963 /nfs/dbraw/zinc/60/59/63/444605963.db2.gz BPRDCRKCBJMNMA-UHFFFAOYSA-N 1 2 333.351 1.883 20 30 EDEDLO CCOC(=O)C[C@H](C)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343817381 444608857 /nfs/dbraw/zinc/60/88/57/444608857.db2.gz MBYWAPHYUMWNTL-LBPRGKRZSA-N 1 2 339.417 1.000 20 30 EDEDLO CCOC(=O)C[C@H](C)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343817381 444608860 /nfs/dbraw/zinc/60/88/60/444608860.db2.gz MBYWAPHYUMWNTL-LBPRGKRZSA-N 1 2 339.417 1.000 20 30 EDEDLO Cc1nnc([C@H](C)NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)s1 ZINC000329527723 444615294 /nfs/dbraw/zinc/61/52/94/444615294.db2.gz SERBGTBSFDRHDN-AAEUAGOBSA-N 1 2 339.465 1.618 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000342351763 444648484 /nfs/dbraw/zinc/64/84/84/444648484.db2.gz GIVHPDUTKFXJGC-GFCCVEGCSA-N 1 2 347.444 1.244 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000342351763 444648489 /nfs/dbraw/zinc/64/84/89/444648489.db2.gz GIVHPDUTKFXJGC-GFCCVEGCSA-N 1 2 347.444 1.244 20 30 EDEDLO C[C@H]1OCC[C@]12CN(C([O-])=[NH+][C@@H]1CCc3[nH]c[nH+]c3C1)C[C@@H](C)O2 ZINC000329626570 444654527 /nfs/dbraw/zinc/65/45/27/444654527.db2.gz UAHKZTPVYYQTFF-ZFRZLUBXSA-N 1 2 334.420 1.449 20 30 EDEDLO C[C@H]1OCC[C@]12CN(C([O-])=[NH+][C@@H]1CCc3[nH+]c[nH]c3C1)C[C@@H](C)O2 ZINC000329626570 444654528 /nfs/dbraw/zinc/65/45/28/444654528.db2.gz UAHKZTPVYYQTFF-ZFRZLUBXSA-N 1 2 334.420 1.449 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000329650019 444665456 /nfs/dbraw/zinc/66/54/56/444665456.db2.gz CDDIVHVZOUKTMB-KBPBESRZSA-N 1 2 349.431 1.697 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000329650019 444665461 /nfs/dbraw/zinc/66/54/61/444665461.db2.gz CDDIVHVZOUKTMB-KBPBESRZSA-N 1 2 349.431 1.697 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333452850 444672756 /nfs/dbraw/zinc/67/27/56/444672756.db2.gz NXMWXNKMIADCPG-IKGGRYGDSA-N 1 2 337.464 1.474 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCCC1 ZINC000329579697 444635966 /nfs/dbraw/zinc/63/59/66/444635966.db2.gz UKUHTXMDBFSOGN-HNNXBMFYSA-N 1 2 341.477 1.197 20 30 EDEDLO O=C(NC[C@@H]1CCCCS1(=O)=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329582074 444638137 /nfs/dbraw/zinc/63/81/37/444638137.db2.gz VIZYXVPWNRDZMI-ZDUSSCGKSA-N 1 2 340.449 1.470 20 30 EDEDLO O=C(NC[C@@H]1CCCCS1(=O)=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329582074 444638143 /nfs/dbraw/zinc/63/81/43/444638143.db2.gz VIZYXVPWNRDZMI-ZDUSSCGKSA-N 1 2 340.449 1.470 20 30 EDEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@@H]1C[C@]12CCOC2 ZINC000329734377 444697192 /nfs/dbraw/zinc/69/71/92/444697192.db2.gz KGFXHAYKCRJLPK-YJBOKZPZSA-N 1 2 335.448 1.314 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cscc2C#N)nc[nH+]1 ZINC000341149104 444697323 /nfs/dbraw/zinc/69/73/23/444697323.db2.gz AEPOARNPEOJPHZ-GFCCVEGCSA-N 1 2 342.428 1.850 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cscc2C#N)[nH+]cn1 ZINC000341149104 444697329 /nfs/dbraw/zinc/69/73/29/444697329.db2.gz AEPOARNPEOJPHZ-GFCCVEGCSA-N 1 2 342.428 1.850 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)CN1CCc2ccccc2C1=O ZINC000329880590 444751336 /nfs/dbraw/zinc/75/13/36/444751336.db2.gz NSZKGDXZBDMJIK-AWEZNQCLSA-N 1 2 331.416 1.362 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)CN1CCc2ccccc2C1=O ZINC000329880590 444751340 /nfs/dbraw/zinc/75/13/40/444751340.db2.gz NSZKGDXZBDMJIK-AWEZNQCLSA-N 1 2 331.416 1.362 20 30 EDEDLO CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000329900317 444759314 /nfs/dbraw/zinc/75/93/14/444759314.db2.gz NPUQKOOCIYPYLU-STQMWFEESA-N 1 2 329.466 1.221 20 30 EDEDLO CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000329900317 444759320 /nfs/dbraw/zinc/75/93/20/444759320.db2.gz NPUQKOOCIYPYLU-STQMWFEESA-N 1 2 329.466 1.221 20 30 EDEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000329952633 444784438 /nfs/dbraw/zinc/78/44/38/444784438.db2.gz NGSWCWSDLLCOPK-QLFBSQMISA-N 1 2 335.452 1.233 20 30 EDEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000329952633 444784444 /nfs/dbraw/zinc/78/44/44/444784444.db2.gz NGSWCWSDLLCOPK-QLFBSQMISA-N 1 2 335.452 1.233 20 30 EDEDLO CCNC(=O)c1cccc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000329914795 444766697 /nfs/dbraw/zinc/76/66/97/444766697.db2.gz CQXPOWRQOJICQL-CVEARBPZSA-N 1 2 346.431 1.614 20 30 EDEDLO CCNC(=O)c1cccc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000329914795 444766702 /nfs/dbraw/zinc/76/67/02/444766702.db2.gz CQXPOWRQOJICQL-CVEARBPZSA-N 1 2 346.431 1.614 20 30 EDEDLO CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000329914795 444766707 /nfs/dbraw/zinc/76/67/07/444766707.db2.gz CQXPOWRQOJICQL-CVEARBPZSA-N 1 2 346.431 1.614 20 30 EDEDLO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000329914795 444766713 /nfs/dbraw/zinc/76/67/13/444766713.db2.gz CQXPOWRQOJICQL-CVEARBPZSA-N 1 2 346.431 1.614 20 30 EDEDLO Cc1[nH+]c[nH]c1CNC(=O)CS(=O)(=O)NC1CCC(C)CC1 ZINC000329949724 444782572 /nfs/dbraw/zinc/78/25/72/444782572.db2.gz HMPTZQVKWUQMNQ-UHFFFAOYSA-N 1 2 328.438 1.673 20 30 EDEDLO CCN1CCN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C[C@H]1c1[nH]cc[nH+]1 ZINC000329996571 444804262 /nfs/dbraw/zinc/80/42/62/444804262.db2.gz PDASBWAEIFLQCP-WCVJEAGWSA-N 1 2 347.463 1.960 20 30 EDEDLO COC(=O)c1cnoc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344116859 444790356 /nfs/dbraw/zinc/79/03/56/444790356.db2.gz OAERJRBUIGZDNP-UHFFFAOYSA-N 1 2 329.356 1.981 20 30 EDEDLO COC(=O)c1cnoc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344116859 444790357 /nfs/dbraw/zinc/79/03/57/444790357.db2.gz OAERJRBUIGZDNP-UHFFFAOYSA-N 1 2 329.356 1.981 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCCN(c3cccnc3)C2=O)C(N)=O)cc1 ZINC000342715264 444830856 /nfs/dbraw/zinc/83/08/56/444830856.db2.gz CVJHGLJKQBTHRP-IAGOWNOFSA-N 1 2 349.394 1.265 20 30 EDEDLO C[C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)n1cnc(C#N)n1 ZINC000336946461 444868147 /nfs/dbraw/zinc/86/81/47/444868147.db2.gz MHNNWGWXTLXCMT-NWDGAFQWSA-N 1 2 341.419 1.336 20 30 EDEDLO [O-]C(NCc1nnc2n1CCCCC2)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330190067 444879482 /nfs/dbraw/zinc/87/94/82/444879482.db2.gz VUPPWXACWOEYPA-LBPRGKRZSA-N 1 2 329.408 1.220 20 30 EDEDLO CC[S@](=O)[C@@H]1CCC[C@H](NC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330169455 444871616 /nfs/dbraw/zinc/87/16/16/444871616.db2.gz BLASDZQHAPECAY-MESLWTKFSA-N 1 2 338.477 1.781 20 30 EDEDLO CC[S@](=O)[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330169455 444871620 /nfs/dbraw/zinc/87/16/20/444871620.db2.gz BLASDZQHAPECAY-MESLWTKFSA-N 1 2 338.477 1.781 20 30 EDEDLO Cc1cnn([C@@H]2CCCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)C2)c1 ZINC000330245452 444904578 /nfs/dbraw/zinc/90/45/78/444904578.db2.gz DTRDKDKHLLBAPJ-LSDHHAIUSA-N 1 2 328.420 1.954 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1C ZINC000330350137 444948242 /nfs/dbraw/zinc/94/82/42/444948242.db2.gz KSBDUMSWORQTNJ-CVEARBPZSA-N 1 2 346.431 1.807 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1C ZINC000330350137 444948244 /nfs/dbraw/zinc/94/82/44/444948244.db2.gz KSBDUMSWORQTNJ-CVEARBPZSA-N 1 2 346.431 1.807 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1C ZINC000330350137 444948249 /nfs/dbraw/zinc/94/82/49/444948249.db2.gz KSBDUMSWORQTNJ-CVEARBPZSA-N 1 2 346.431 1.807 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1C ZINC000330350137 444948251 /nfs/dbraw/zinc/94/82/51/444948251.db2.gz KSBDUMSWORQTNJ-CVEARBPZSA-N 1 2 346.431 1.807 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341710779 444963550 /nfs/dbraw/zinc/96/35/50/444963550.db2.gz WRBMHZUOKNEDAX-KRWDZBQOSA-N 1 2 340.383 1.947 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCc2ccccc2OC)C1=O ZINC000337200893 444983061 /nfs/dbraw/zinc/98/30/61/444983061.db2.gz CDOGOQWQLSZYJE-MRXNPFEDSA-N 1 2 345.443 1.073 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCc2ccccc2OC)C1=O ZINC000337200893 444983066 /nfs/dbraw/zinc/98/30/66/444983066.db2.gz CDOGOQWQLSZYJE-MRXNPFEDSA-N 1 2 345.443 1.073 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000330454234 444987274 /nfs/dbraw/zinc/98/72/74/444987274.db2.gz WAPYYYFWUWNZNN-AWEZNQCLSA-N 1 2 341.452 1.286 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000330454234 444987277 /nfs/dbraw/zinc/98/72/77/444987277.db2.gz WAPYYYFWUWNZNN-AWEZNQCLSA-N 1 2 341.452 1.286 20 30 EDEDLO CC1(C)NC(=O)CC[C@H]1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330457758 444989388 /nfs/dbraw/zinc/98/93/88/444989388.db2.gz YIRADHLBVAOYIH-SECBINFHSA-N 1 2 347.341 1.506 20 30 EDEDLO CC[NH+]=C([O-])Nc1cccc(NC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)c1C ZINC000330560646 445035215 /nfs/dbraw/zinc/03/52/15/445035215.db2.gz JJQSUIYUBBRAAD-WFASDCNBSA-N 1 2 334.420 1.998 20 30 EDEDLO CC[NH+]=C([O-])Nc1cccc(NC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)c1C ZINC000330560646 445035221 /nfs/dbraw/zinc/03/52/21/445035221.db2.gz JJQSUIYUBBRAAD-WFASDCNBSA-N 1 2 334.420 1.998 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ncccc3OCCCC#N)C[C@H]21 ZINC000341949802 445089518 /nfs/dbraw/zinc/08/95/18/445089518.db2.gz KAPQVAZVHJSYRV-UKRRQHHQSA-N 1 2 345.403 1.311 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ncccc3OCCCC#N)C[C@H]21 ZINC000341949802 445089523 /nfs/dbraw/zinc/08/95/23/445089523.db2.gz KAPQVAZVHJSYRV-UKRRQHHQSA-N 1 2 345.403 1.311 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000341988631 445109673 /nfs/dbraw/zinc/10/96/73/445109673.db2.gz JIXKBIRAZVBAFQ-UHFFFAOYSA-N 1 2 344.415 1.836 20 30 EDEDLO CCNC(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c(C)c1 ZINC000330717078 445109859 /nfs/dbraw/zinc/10/98/59/445109859.db2.gz UVBBIWFSQNFPIU-HNNXBMFYSA-N 1 2 347.463 1.316 20 30 EDEDLO CCNC(=O)c1ccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c(C)c1 ZINC000330717078 445109865 /nfs/dbraw/zinc/10/98/65/445109865.db2.gz UVBBIWFSQNFPIU-HNNXBMFYSA-N 1 2 347.463 1.316 20 30 EDEDLO CCOC[C@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000330786253 445140832 /nfs/dbraw/zinc/14/08/32/445140832.db2.gz VIDSNMGTMNNGCH-HNNXBMFYSA-N 1 2 327.469 1.760 20 30 EDEDLO CCC(C)(C)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330730474 445116200 /nfs/dbraw/zinc/11/62/00/445116200.db2.gz IHHSTOYDUFZEDR-UHFFFAOYSA-N 1 2 333.436 1.793 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330848739 445164951 /nfs/dbraw/zinc/16/49/51/445164951.db2.gz DDEYACVYYOJCSN-UHFFFAOYSA-N 1 2 345.428 1.096 20 30 EDEDLO O=C(C[N@H+]1CCC[C@](O)(C(F)(F)F)C1)NC(=O)Nc1ccccc1 ZINC000330792681 445143403 /nfs/dbraw/zinc/14/34/03/445143403.db2.gz CBKDJSQCPWWTMI-CQSZACIVSA-N 1 2 345.321 1.738 20 30 EDEDLO O=C(C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1)NC(=O)Nc1ccccc1 ZINC000330792681 445143405 /nfs/dbraw/zinc/14/34/05/445143405.db2.gz CBKDJSQCPWWTMI-CQSZACIVSA-N 1 2 345.321 1.738 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000330813377 445150624 /nfs/dbraw/zinc/15/06/24/445150624.db2.gz BJLPQILONPVROM-CYBMUJFWSA-N 1 2 334.420 1.819 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000330813377 445150626 /nfs/dbraw/zinc/15/06/26/445150626.db2.gz BJLPQILONPVROM-CYBMUJFWSA-N 1 2 334.420 1.819 20 30 EDEDLO C=CCOC[C@H](NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C)C(=O)OC ZINC000346648535 445221511 /nfs/dbraw/zinc/22/15/11/445221511.db2.gz FGZNDTLRKTWCCD-ILXRZTDVSA-N 1 2 347.415 1.014 20 30 EDEDLO C=C(C)COCCNC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000347611358 445243281 /nfs/dbraw/zinc/24/32/81/445243281.db2.gz XJTJEWZOWDBTMR-HNNXBMFYSA-N 1 2 336.436 1.780 20 30 EDEDLO COc1ccc(C)cc1NC(=O)CNC(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000347697877 445245385 /nfs/dbraw/zinc/24/53/85/445245385.db2.gz ZFVGQRHUKFMODD-KBPBESRZSA-N 1 2 344.415 1.340 20 30 EDEDLO Cc1nc(S(=O)(=O)N2CC[NH+](CCCCC#N)CC2)cs1 ZINC000343663184 445290502 /nfs/dbraw/zinc/29/05/02/445290502.db2.gz IKEOXASVVABXPV-UHFFFAOYSA-N 1 2 328.463 1.452 20 30 EDEDLO C=CCNC(=O)CN1CCN(C(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000351934186 445384555 /nfs/dbraw/zinc/38/45/55/445384555.db2.gz ANXSUUKXGTWGJB-UHFFFAOYSA-N 1 2 331.420 1.150 20 30 EDEDLO C[N@H+](CCc1cnccn1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000357042610 445390350 /nfs/dbraw/zinc/39/03/50/445390350.db2.gz QJZRFMINENGXRV-UHFFFAOYSA-N 1 2 330.413 1.296 20 30 EDEDLO C[N@@H+](CCc1cnccn1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000357042610 445390353 /nfs/dbraw/zinc/39/03/53/445390353.db2.gz QJZRFMINENGXRV-UHFFFAOYSA-N 1 2 330.413 1.296 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1)OCC ZINC000362742680 445528192 /nfs/dbraw/zinc/52/81/92/445528192.db2.gz WENPIZXIVGDKCB-CVEARBPZSA-N 1 2 337.464 1.171 20 30 EDEDLO CN(C(=O)CNc1ccc(C#N)cn1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000352789702 445554475 /nfs/dbraw/zinc/55/44/75/445554475.db2.gz OTSJTRIPEJQEPW-SFHVURJKSA-N 1 2 346.394 2.336 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1c(F)cccc1C#N ZINC000356071755 445602144 /nfs/dbraw/zinc/60/21/44/445602144.db2.gz UKCGKOBCQRNNMO-ZFWWWQNUSA-N 1 2 331.391 1.561 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2cnn(C)c2C#N)C1 ZINC000356098146 445620032 /nfs/dbraw/zinc/62/00/32/445620032.db2.gz VMYHCESAZJIUII-GFCCVEGCSA-N 1 2 340.387 1.046 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356155171 445651989 /nfs/dbraw/zinc/65/19/89/445651989.db2.gz TWOCZTZGOOZBRC-ZDUSSCGKSA-N 1 2 332.404 1.799 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356155171 445651995 /nfs/dbraw/zinc/65/19/95/445651995.db2.gz TWOCZTZGOOZBRC-ZDUSSCGKSA-N 1 2 332.404 1.799 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000369112676 445935616 /nfs/dbraw/zinc/93/56/16/445935616.db2.gz MSDAZIBNJAYXCI-NSHDSACASA-N 1 2 325.438 1.042 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000369188460 445978473 /nfs/dbraw/zinc/97/84/73/445978473.db2.gz PFOWXODURIOYDI-AWEZNQCLSA-N 1 2 333.436 1.117 20 30 EDEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000350901285 445945678 /nfs/dbraw/zinc/94/56/78/445945678.db2.gz ZDYKKSJSZDKTBN-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000350901285 445945685 /nfs/dbraw/zinc/94/56/85/445945685.db2.gz ZDYKKSJSZDKTBN-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C=CCOc1ccc(CNC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(C)=O)cc1 ZINC000359102567 445948423 /nfs/dbraw/zinc/94/84/23/445948423.db2.gz ZGCPATSZELANRP-QGZVFWFLSA-N 1 2 342.399 1.338 20 30 EDEDLO C=CCOc1ccc(CNC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(C)=O)cc1 ZINC000359102567 445948430 /nfs/dbraw/zinc/94/84/30/445948430.db2.gz ZGCPATSZELANRP-QGZVFWFLSA-N 1 2 342.399 1.338 20 30 EDEDLO COc1ccc(F)c(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)c1 ZINC000361929296 446079340 /nfs/dbraw/zinc/07/93/40/446079340.db2.gz ZCUJMPFMSACQJI-CQSZACIVSA-N 1 2 348.422 1.717 20 30 EDEDLO CCc1nc(C[NH+]2C[C@@H]3CN(c4nc(C)cc(C#N)n4)C[C@H]3C2)no1 ZINC000376106620 446338223 /nfs/dbraw/zinc/33/82/23/446338223.db2.gz KPIJYUJMRWFGQV-CHWSQXEVSA-N 1 2 339.403 1.170 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000376200663 446377031 /nfs/dbraw/zinc/37/70/31/446377031.db2.gz UHLAGQSXNCNILN-MAUKXSAKSA-N 1 2 339.439 1.911 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)C1=O ZINC000366895905 446401472 /nfs/dbraw/zinc/40/14/72/446401472.db2.gz KIFDXXQOCPWJFW-GJZGRUSLSA-N 1 2 329.448 1.928 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)C1=O ZINC000366895905 446401476 /nfs/dbraw/zinc/40/14/76/446401476.db2.gz KIFDXXQOCPWJFW-GJZGRUSLSA-N 1 2 329.448 1.928 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000370745974 446414020 /nfs/dbraw/zinc/41/40/20/446414020.db2.gz XEFIGCJKHNQKHF-UHFFFAOYSA-N 1 2 326.356 1.264 20 30 EDEDLO N#Cc1cscc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000432496355 446474878 /nfs/dbraw/zinc/47/48/78/446474878.db2.gz LBQZIMLCVXCIKE-UHFFFAOYSA-N 1 2 328.397 1.781 20 30 EDEDLO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433282761 446552972 /nfs/dbraw/zinc/55/29/72/446552972.db2.gz BLLJIZVAAPOQCZ-CQSZACIVSA-N 1 2 346.431 1.434 20 30 EDEDLO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433282761 446552976 /nfs/dbraw/zinc/55/29/76/446552976.db2.gz BLLJIZVAAPOQCZ-CQSZACIVSA-N 1 2 346.431 1.434 20 30 EDEDLO Cc1cc(C(=O)N2CC[N@H+](Cc3cc(C#N)cs3)[C@H](C)C2)[nH]n1 ZINC000453621290 446574757 /nfs/dbraw/zinc/57/47/57/446574757.db2.gz WFCHCHVBLVUAHU-GFCCVEGCSA-N 1 2 329.429 1.998 20 30 EDEDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3cc(C#N)cs3)[C@H](C)C2)[nH]n1 ZINC000453621290 446574766 /nfs/dbraw/zinc/57/47/66/446574766.db2.gz WFCHCHVBLVUAHU-GFCCVEGCSA-N 1 2 329.429 1.998 20 30 EDEDLO N#CCc1ccc(NC(=O)C(=O)N2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000453643987 446579925 /nfs/dbraw/zinc/57/99/25/446579925.db2.gz CZBSEHLXFHUFEQ-UHFFFAOYSA-N 1 2 343.774 1.583 20 30 EDEDLO C#CCCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000367806984 446592697 /nfs/dbraw/zinc/59/26/97/446592697.db2.gz RISAEYOLNPDATL-MRXNPFEDSA-N 1 2 347.440 1.851 20 30 EDEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1nc(N)nc(N(C)C)n1 ZINC000434837743 446664145 /nfs/dbraw/zinc/66/41/45/446664145.db2.gz VODYRNQPJQVDOK-UHFFFAOYSA-N 1 2 339.447 2.050 20 30 EDEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1nc(N)nc(N(C)C)n1 ZINC000434837743 446664149 /nfs/dbraw/zinc/66/41/49/446664149.db2.gz VODYRNQPJQVDOK-UHFFFAOYSA-N 1 2 339.447 2.050 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000435061610 446675136 /nfs/dbraw/zinc/67/51/36/446675136.db2.gz QTOPFRVALJGUOO-QGZVFWFLSA-N 1 2 339.399 1.313 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000368075932 446626215 /nfs/dbraw/zinc/62/62/15/446626215.db2.gz SIHGQJHBSAWGBE-UHFFFAOYSA-N 1 2 332.404 1.245 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000376916764 446796359 /nfs/dbraw/zinc/79/63/59/446796359.db2.gz GIOPZJHGOMJFBP-KRWDZBQOSA-N 1 2 331.391 1.814 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000376916764 446796367 /nfs/dbraw/zinc/79/63/67/446796367.db2.gz GIOPZJHGOMJFBP-KRWDZBQOSA-N 1 2 331.391 1.814 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1C#N ZINC000439498548 446820114 /nfs/dbraw/zinc/82/01/14/446820114.db2.gz ZCGYSCDQTREWNN-LBPRGKRZSA-N 1 2 346.456 1.939 20 30 EDEDLO Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)cc1C#N ZINC000375591720 446911285 /nfs/dbraw/zinc/91/12/85/446911285.db2.gz OMVATHILPRUYGE-KRWDZBQOSA-N 1 2 340.427 1.293 20 30 EDEDLO Cc1cc(NCCCN2C(=O)NC3(CCCC3)C2=O)c(C#N)c[nH+]1 ZINC000425197068 447056066 /nfs/dbraw/zinc/05/60/66/447056066.db2.gz ANSFMTHRODLUFY-UHFFFAOYSA-N 1 2 327.388 1.350 20 30 EDEDLO C=CCC[C@H](C(=O)N[C@H](CO)C[NH+]1CCOCC1)c1ccccc1 ZINC000425294261 447100772 /nfs/dbraw/zinc/10/07/72/447100772.db2.gz MMTYOSAXOQYKGV-ROUUACIJSA-N 1 2 332.444 1.546 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(c2nnc(CC)c(CC)c2C#N)CC1 ZINC000377334156 447073682 /nfs/dbraw/zinc/07/36/82/447073682.db2.gz AQUSXAHAMKMIBX-UHFFFAOYSA-N 1 2 345.447 1.548 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(c2nnc(CC)c(CC)c2C#N)CC1 ZINC000377334156 447073689 /nfs/dbraw/zinc/07/36/89/447073689.db2.gz AQUSXAHAMKMIBX-UHFFFAOYSA-N 1 2 345.447 1.548 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000625585497 450438189 /nfs/dbraw/zinc/43/81/89/450438189.db2.gz STYUOGGWFDUCIG-UHFFFAOYSA-N 1 2 339.480 1.274 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000625585497 450438192 /nfs/dbraw/zinc/43/81/92/450438192.db2.gz STYUOGGWFDUCIG-UHFFFAOYSA-N 1 2 339.480 1.274 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000368835847 447147813 /nfs/dbraw/zinc/14/78/13/447147813.db2.gz UAQDKAYUJXHYHU-UHFFFAOYSA-N 1 2 334.441 1.834 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000368835847 447147819 /nfs/dbraw/zinc/14/78/19/447147819.db2.gz UAQDKAYUJXHYHU-UHFFFAOYSA-N 1 2 334.441 1.834 20 30 EDEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCCCNC1=O ZINC000368891184 447185134 /nfs/dbraw/zinc/18/51/34/447185134.db2.gz AJPLLZQASUGMTP-MRXNPFEDSA-N 1 2 328.416 1.534 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCCCNC1=O ZINC000368891184 447185141 /nfs/dbraw/zinc/18/51/41/447185141.db2.gz AJPLLZQASUGMTP-MRXNPFEDSA-N 1 2 328.416 1.534 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000377591262 447231124 /nfs/dbraw/zinc/23/11/24/447231124.db2.gz PKKFXTMQDPNBQE-UHFFFAOYSA-N 1 2 341.375 1.307 20 30 EDEDLO Cn1ccnc1C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000377591262 447231129 /nfs/dbraw/zinc/23/11/29/447231129.db2.gz PKKFXTMQDPNBQE-UHFFFAOYSA-N 1 2 341.375 1.307 20 30 EDEDLO Cn1cc[nH+]c1CN1CCCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000377591262 447231133 /nfs/dbraw/zinc/23/11/33/447231133.db2.gz PKKFXTMQDPNBQE-UHFFFAOYSA-N 1 2 341.375 1.307 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1)c1ccccc1 ZINC000369047090 447287005 /nfs/dbraw/zinc/28/70/05/447287005.db2.gz IOGRTLPEHZLZFK-GOSISDBHSA-N 1 2 342.399 1.508 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1)c1ccccc1 ZINC000369047090 447287013 /nfs/dbraw/zinc/28/70/13/447287013.db2.gz IOGRTLPEHZLZFK-GOSISDBHSA-N 1 2 342.399 1.508 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010103 447261677 /nfs/dbraw/zinc/26/16/77/447261677.db2.gz NJEVJCVPHZWADN-CJNGLKHVSA-N 1 2 348.407 1.483 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369010103 447261687 /nfs/dbraw/zinc/26/16/87/447261687.db2.gz NJEVJCVPHZWADN-CJNGLKHVSA-N 1 2 348.407 1.483 20 30 EDEDLO Cc1ccc(NC(=O)CCN(CCC#N)CC[NH+]2CCOCC2)nc1 ZINC000447314164 447272184 /nfs/dbraw/zinc/27/21/84/447272184.db2.gz UJUQWXKWARAOLW-UHFFFAOYSA-N 1 2 345.447 1.267 20 30 EDEDLO Cc1ccc(NC(=O)CC[N@H+](CCC#N)CCN2CCOCC2)nc1 ZINC000447314164 447272189 /nfs/dbraw/zinc/27/21/89/447272189.db2.gz UJUQWXKWARAOLW-UHFFFAOYSA-N 1 2 345.447 1.267 20 30 EDEDLO Cc1ccc(NC(=O)CC[N@@H+](CCC#N)CCN2CCOCC2)nc1 ZINC000447314164 447272192 /nfs/dbraw/zinc/27/21/92/447272192.db2.gz UJUQWXKWARAOLW-UHFFFAOYSA-N 1 2 345.447 1.267 20 30 EDEDLO COCCN(C[C@@H](O)C[N@H+](C)CCC#N)c1nc2ccccc2[nH]1 ZINC000414141904 447276407 /nfs/dbraw/zinc/27/64/07/447276407.db2.gz IPIYBGFNXMXIRY-AWEZNQCLSA-N 1 2 331.420 1.222 20 30 EDEDLO COCCN(C[C@@H](O)C[N@@H+](C)CCC#N)c1nc2ccccc2[nH]1 ZINC000414141904 447276410 /nfs/dbraw/zinc/27/64/10/447276410.db2.gz IPIYBGFNXMXIRY-AWEZNQCLSA-N 1 2 331.420 1.222 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000416376437 447584924 /nfs/dbraw/zinc/58/49/24/447584924.db2.gz OZCMMNGJVFVOKM-CQSZACIVSA-N 1 2 332.429 1.308 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000416376437 447584925 /nfs/dbraw/zinc/58/49/25/447584925.db2.gz OZCMMNGJVFVOKM-CQSZACIVSA-N 1 2 332.429 1.308 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422479723 447585055 /nfs/dbraw/zinc/58/50/55/447585055.db2.gz SGMWKHCMDKACFZ-INIZCTEOSA-N 1 2 340.427 1.382 20 30 EDEDLO C[N@@H+]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)[C@H](c2ccccc2)C1 ZINC000422486727 447590508 /nfs/dbraw/zinc/59/05/08/447590508.db2.gz HUUKFRSFIQTUJF-INIZCTEOSA-N 1 2 342.443 1.558 20 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ZINC000429684062 447755518 /nfs/dbraw/zinc/75/55/18/447755518.db2.gz SCRGSCXBVYCKAC-ROUUACIJSA-N 1 2 346.431 1.504 20 30 EDEDLO N#Cc1ccc(CC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC000478878253 447821374 /nfs/dbraw/zinc/82/13/74/447821374.db2.gz YMAXQYZXCCLXKY-GOSISDBHSA-N 1 2 343.427 1.050 20 30 EDEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000549275325 447869867 /nfs/dbraw/zinc/86/98/67/447869867.db2.gz ZUBDGMAIGOSKGZ-AWEZNQCLSA-N 1 2 346.479 1.206 20 30 EDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCC(C(=O)NCCC(C)C)CC1 ZINC000490830459 447897773 /nfs/dbraw/zinc/89/77/73/447897773.db2.gz LFNCZLMXLKJWNQ-UHFFFAOYSA-N 1 2 345.487 1.346 20 30 EDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCC(C(=O)NCCC(C)C)CC1 ZINC000490830459 447897774 /nfs/dbraw/zinc/89/77/74/447897774.db2.gz LFNCZLMXLKJWNQ-UHFFFAOYSA-N 1 2 345.487 1.346 20 30 EDEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000569902628 447911926 /nfs/dbraw/zinc/91/19/26/447911926.db2.gz ADJVXRDHQHBHSK-CYBMUJFWSA-N 1 2 327.384 1.891 20 30 EDEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000569902628 447911934 /nfs/dbraw/zinc/91/19/34/447911934.db2.gz ADJVXRDHQHBHSK-CYBMUJFWSA-N 1 2 327.384 1.891 20 30 EDEDLO C#CCNC(=O)C1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000491192973 447951350 /nfs/dbraw/zinc/95/13/50/447951350.db2.gz UPQVVCQTBANUNO-UHFFFAOYSA-N 1 2 335.411 1.813 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C#N)c3ccccc23)CC1 ZINC000491340656 447999769 /nfs/dbraw/zinc/99/97/69/447999769.db2.gz ZHPAJCGEKKVSCF-UHFFFAOYSA-N 1 2 333.391 1.868 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000491352119 448001904 /nfs/dbraw/zinc/00/19/04/448001904.db2.gz XNUDTXOYAKVVLV-AWEZNQCLSA-N 1 2 338.452 1.250 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000496856882 447974167 /nfs/dbraw/zinc/97/41/67/447974167.db2.gz KYUUVBDRRMNINS-AWEZNQCLSA-N 1 2 347.419 1.167 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000496856882 447974173 /nfs/dbraw/zinc/97/41/73/447974173.db2.gz KYUUVBDRRMNINS-AWEZNQCLSA-N 1 2 347.419 1.167 20 30 EDEDLO C#C[C@H](NC(=O)C[N@@H+](C)CC(=O)NC(C)C)c1ccc(Cl)cc1 ZINC000491416696 448020518 /nfs/dbraw/zinc/02/05/18/448020518.db2.gz LCEZMTOSSPADGM-HNNXBMFYSA-N 1 2 335.835 1.587 20 30 EDEDLO C#C[C@H](NC(=O)C[N@H+](C)CC(=O)NC(C)C)c1ccc(Cl)cc1 ZINC000491416696 448020522 /nfs/dbraw/zinc/02/05/22/448020522.db2.gz LCEZMTOSSPADGM-HNNXBMFYSA-N 1 2 335.835 1.587 20 30 EDEDLO C#CCNC(=O)C1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000491484581 448039916 /nfs/dbraw/zinc/03/99/16/448039916.db2.gz JNCCJIYHGLYTIA-UHFFFAOYSA-N 1 2 339.399 1.005 20 30 EDEDLO C#C[C@@H](C)N(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)[C@@H](C)C#C)c1 ZINC000491740422 448095989 /nfs/dbraw/zinc/09/59/89/448095989.db2.gz JXDNGTGVXONYBF-UONOGXRCSA-N 1 2 342.399 1.945 20 30 EDEDLO C#C[C@@H](C)N(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)[C@@H](C)C#C)c1 ZINC000491740422 448095997 /nfs/dbraw/zinc/09/59/97/448095997.db2.gz JXDNGTGVXONYBF-UONOGXRCSA-N 1 2 342.399 1.945 20 30 EDEDLO Cn1ccnc1[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000576698157 448118166 /nfs/dbraw/zinc/11/81/66/448118166.db2.gz VYWVIUPGUAZEJT-MRXNPFEDSA-N 1 2 344.440 1.806 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000556523504 448122055 /nfs/dbraw/zinc/12/20/55/448122055.db2.gz NNVQRCHJODKZFP-CVEARBPZSA-N 1 2 346.431 1.451 20 30 EDEDLO C=CCN1CCN(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1=O ZINC000497069707 448173213 /nfs/dbraw/zinc/17/32/13/448173213.db2.gz FGXQOANHKRPSRT-CQSZACIVSA-N 1 2 338.452 1.809 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C1=O ZINC000497069707 448173220 /nfs/dbraw/zinc/17/32/20/448173220.db2.gz FGXQOANHKRPSRT-CQSZACIVSA-N 1 2 338.452 1.809 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000571631860 448183103 /nfs/dbraw/zinc/18/31/03/448183103.db2.gz YYVPJLACEZAQKQ-CVEARBPZSA-N 1 2 347.440 1.943 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000492308163 448202739 /nfs/dbraw/zinc/20/27/39/448202739.db2.gz PFNBODPZKOYRDL-CYBMUJFWSA-N 1 2 336.436 1.538 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000492308163 448202742 /nfs/dbraw/zinc/20/27/42/448202742.db2.gz PFNBODPZKOYRDL-CYBMUJFWSA-N 1 2 336.436 1.538 20 30 EDEDLO CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)C1 ZINC000558898678 448203733 /nfs/dbraw/zinc/20/37/33/448203733.db2.gz JWBOHIRQUXHCJL-YOEHRIQHSA-N 1 2 337.468 1.024 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(C#N)cs3)CC2)c1C#N ZINC000527315924 448208650 /nfs/dbraw/zinc/20/86/50/448208650.db2.gz AAUJWITZEMGDPR-UHFFFAOYSA-N 1 2 326.429 1.856 20 30 EDEDLO C[C@H](C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[NH+]1CC(C)C1 ZINC000572058220 448274455 /nfs/dbraw/zinc/27/44/55/448274455.db2.gz STMYVUKIXXNZSU-GFCCVEGCSA-N 1 2 327.363 2.162 20 30 EDEDLO C=CCC[C@H]1NC(=O)N(C[C@@]2([NH+]3CCOCC3)CCSC2)C1=O ZINC000563648125 448309536 /nfs/dbraw/zinc/30/95/36/448309536.db2.gz KBKACPMHFSNMCJ-CJNGLKHVSA-N 1 2 339.461 1.081 20 30 EDEDLO COCC[N@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000591374287 448348349 /nfs/dbraw/zinc/34/83/49/448348349.db2.gz KTXMHPBKDKZZGX-HNNXBMFYSA-N 1 2 347.415 1.173 20 30 EDEDLO COCC[N@@H+](CCC#N)C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000591374287 448348354 /nfs/dbraw/zinc/34/83/54/448348354.db2.gz KTXMHPBKDKZZGX-HNNXBMFYSA-N 1 2 347.415 1.173 20 30 EDEDLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000577651318 448352897 /nfs/dbraw/zinc/35/28/97/448352897.db2.gz GJCQDPKZGPKMSD-AWEZNQCLSA-N 1 2 349.456 1.432 20 30 EDEDLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000577651318 448352900 /nfs/dbraw/zinc/35/29/00/448352900.db2.gz GJCQDPKZGPKMSD-AWEZNQCLSA-N 1 2 349.456 1.432 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000582840159 448355004 /nfs/dbraw/zinc/35/50/04/448355004.db2.gz KXFJXSVLRRQMJF-OAGGEKHMSA-N 1 2 330.432 1.491 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000582840159 448355011 /nfs/dbraw/zinc/35/50/11/448355011.db2.gz KXFJXSVLRRQMJF-OAGGEKHMSA-N 1 2 330.432 1.491 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000583148972 448425053 /nfs/dbraw/zinc/42/50/53/448425053.db2.gz WNOUHCXFKDBUKB-KBXCAEBGSA-N 1 2 343.406 1.484 20 30 EDEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)Cc2c(F)cccc2C#N)C1 ZINC000591682895 448451072 /nfs/dbraw/zinc/45/10/72/448451072.db2.gz QZGVXUOTJWFQBV-DOMZBBRYSA-N 1 2 328.347 1.952 20 30 EDEDLO CC(C)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528339425 448491786 /nfs/dbraw/zinc/49/17/86/448491786.db2.gz RRLOWMIFCQLGBT-INIZCTEOSA-N 1 2 331.416 1.098 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000535509574 448495403 /nfs/dbraw/zinc/49/54/03/448495403.db2.gz ANQLGZOHOCOFKZ-SFHVURJKSA-N 1 2 327.432 1.321 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000566660066 448530859 /nfs/dbraw/zinc/53/08/59/448530859.db2.gz DLXWVPLSBDTBTQ-OGWOLHLISA-N 1 2 345.418 1.737 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000566660066 448530864 /nfs/dbraw/zinc/53/08/64/448530864.db2.gz DLXWVPLSBDTBTQ-OGWOLHLISA-N 1 2 345.418 1.737 20 30 EDEDLO C[C@H](C#N)CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000537011806 448550424 /nfs/dbraw/zinc/55/04/24/448550424.db2.gz PQBKNAGNNMLDRS-KGLIPLIRSA-N 1 2 344.415 1.294 20 30 EDEDLO C=CCn1cccc1C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000584724481 448611190 /nfs/dbraw/zinc/61/11/90/448611190.db2.gz DNNFBEPHNAOMDL-UHFFFAOYSA-N 1 2 338.415 1.947 20 30 EDEDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000528736997 448652780 /nfs/dbraw/zinc/65/27/80/448652780.db2.gz KIIDOHQMUMNXIS-UHFFFAOYSA-N 1 2 348.834 1.382 20 30 EDEDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000528736997 448652787 /nfs/dbraw/zinc/65/27/87/448652787.db2.gz KIIDOHQMUMNXIS-UHFFFAOYSA-N 1 2 348.834 1.382 20 30 EDEDLO Cc1nsc(C)c1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000573626089 448675747 /nfs/dbraw/zinc/67/57/47/448675747.db2.gz WGFOVJZWAAXEDD-UHFFFAOYSA-N 1 2 344.440 1.674 20 30 EDEDLO COc1ccc([C@@H](NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)C(C)C)cc1 ZINC000592144868 448705137 /nfs/dbraw/zinc/70/51/37/448705137.db2.gz JVHQNXFYRKTPCJ-RBUKOAKNSA-N 1 2 345.443 1.859 20 30 EDEDLO COc1ccc([C@@H](NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)C(C)C)cc1 ZINC000592144868 448705140 /nfs/dbraw/zinc/70/51/40/448705140.db2.gz JVHQNXFYRKTPCJ-RBUKOAKNSA-N 1 2 345.443 1.859 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146494 448705728 /nfs/dbraw/zinc/70/57/28/448705728.db2.gz CLGYLHOVXRLSIO-YVEFUNNKSA-N 1 2 333.388 1.381 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592146494 448705735 /nfs/dbraw/zinc/70/57/35/448705735.db2.gz CLGYLHOVXRLSIO-YVEFUNNKSA-N 1 2 333.388 1.381 20 30 EDEDLO Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592146186 448706471 /nfs/dbraw/zinc/70/64/71/448706471.db2.gz FRSBWAKWQSTDQL-QGZVFWFLSA-N 1 2 333.457 1.554 20 30 EDEDLO Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592146186 448706477 /nfs/dbraw/zinc/70/64/77/448706477.db2.gz FRSBWAKWQSTDQL-QGZVFWFLSA-N 1 2 333.457 1.554 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c([N+](=O)[O-])c1 ZINC000592149014 448709104 /nfs/dbraw/zinc/70/91/04/448709104.db2.gz GWILDMRDDYQBRI-MEDUHNTESA-N 1 2 348.359 1.281 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c([N+](=O)[O-])c1 ZINC000592149014 448709110 /nfs/dbraw/zinc/70/91/10/448709110.db2.gz GWILDMRDDYQBRI-MEDUHNTESA-N 1 2 348.359 1.281 20 30 EDEDLO COc1ccc(-c2noc(C[N@@H+]3CC[C@](O)(CC#N)C3)n2)c(OC)c1 ZINC000592148502 448709241 /nfs/dbraw/zinc/70/92/41/448709241.db2.gz ZFVCNSMUHIUQPI-QGZVFWFLSA-N 1 2 344.371 1.604 20 30 EDEDLO COc1ccc(-c2noc(C[N@H+]3CC[C@](O)(CC#N)C3)n2)c(OC)c1 ZINC000592148502 448709244 /nfs/dbraw/zinc/70/92/44/448709244.db2.gz ZFVCNSMUHIUQPI-QGZVFWFLSA-N 1 2 344.371 1.604 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000518781742 448709834 /nfs/dbraw/zinc/70/98/34/448709834.db2.gz ULQNDVQLRJWMOW-UHFFFAOYSA-N 1 2 338.371 1.732 20 30 EDEDLO CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149407 448710362 /nfs/dbraw/zinc/71/03/62/448710362.db2.gz OOSBEZHPIONKDS-QGZVFWFLSA-N 1 2 331.372 1.152 20 30 EDEDLO CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149407 448710367 /nfs/dbraw/zinc/71/03/67/448710367.db2.gz OOSBEZHPIONKDS-QGZVFWFLSA-N 1 2 331.372 1.152 20 30 EDEDLO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000574312829 448844178 /nfs/dbraw/zinc/84/41/78/448844178.db2.gz NSQVUXJESIBMDV-HOCLYGCPSA-N 1 2 343.431 1.517 20 30 EDEDLO C[C@H](NC[C@H](O)C[N@H+](C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000574312829 448844182 /nfs/dbraw/zinc/84/41/82/448844182.db2.gz NSQVUXJESIBMDV-HOCLYGCPSA-N 1 2 343.431 1.517 20 30 EDEDLO C[C@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000574312829 448844186 /nfs/dbraw/zinc/84/41/86/448844186.db2.gz NSQVUXJESIBMDV-HOCLYGCPSA-N 1 2 343.431 1.517 20 30 EDEDLO CC(C)n1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000574350344 448853077 /nfs/dbraw/zinc/85/30/77/448853077.db2.gz WOQCPQYUZQLTEH-UHFFFAOYSA-N 1 2 334.424 1.544 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNCc1nc(-c2cccc(Cl)c2)no1 ZINC000581066628 448964773 /nfs/dbraw/zinc/96/47/73/448964773.db2.gz FXCBDZAMBJAGKT-CQSZACIVSA-N 1 2 349.822 1.686 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNCc1nc(-c2cccc(Cl)c2)no1 ZINC000581066628 448964781 /nfs/dbraw/zinc/96/47/81/448964781.db2.gz FXCBDZAMBJAGKT-CQSZACIVSA-N 1 2 349.822 1.686 20 30 EDEDLO Cc1nc(N)c(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c[nH+]1 ZINC000592799734 448995336 /nfs/dbraw/zinc/99/53/36/448995336.db2.gz XNAAKOJOIFDWMU-INIZCTEOSA-N 1 2 336.399 1.524 20 30 EDEDLO N#CC[C@@]1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000592840233 449012444 /nfs/dbraw/zinc/01/24/44/449012444.db2.gz SUEYPNQFPCDKIT-MRXNPFEDSA-N 1 2 341.327 1.271 20 30 EDEDLO CCOC(=O)c1c(C)onc1C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000582150810 449021476 /nfs/dbraw/zinc/02/14/76/449021476.db2.gz UCGJBCWMRXPXBT-UHFFFAOYSA-N 1 2 346.391 1.401 20 30 EDEDLO CCOC(=O)c1c(C)onc1C[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000582150810 449021480 /nfs/dbraw/zinc/02/14/80/449021480.db2.gz UCGJBCWMRXPXBT-UHFFFAOYSA-N 1 2 346.391 1.401 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(c3cc(-n4cc[nH+]c4)ncn3)C2)nc1 ZINC000589871327 449070028 /nfs/dbraw/zinc/07/00/28/449070028.db2.gz OZLXVBUKCUYUBP-AWEZNQCLSA-N 1 2 333.355 1.587 20 30 EDEDLO Cc1cc(F)c2[nH]c(=O)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2c1 ZINC000593154837 449153825 /nfs/dbraw/zinc/15/38/25/449153825.db2.gz KPPJXUULPTXYAU-KRWDZBQOSA-N 1 2 330.363 1.962 20 30 EDEDLO C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)n1cc(Br)cn1 ZINC000593153546 449154021 /nfs/dbraw/zinc/15/40/21/449154021.db2.gz SZKBHJHPZXKRFF-MFKMUULPSA-N 1 2 342.241 1.557 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(C#N)c1C ZINC000595738454 449139892 /nfs/dbraw/zinc/13/98/92/449139892.db2.gz ILXDBADQYDTMRX-CORIIIEPSA-N 1 2 344.415 1.696 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(C#N)c1C ZINC000595738454 449139895 /nfs/dbraw/zinc/13/98/95/449139895.db2.gz ILXDBADQYDTMRX-CORIIIEPSA-N 1 2 344.415 1.696 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(C#N)c1C ZINC000595738455 449140405 /nfs/dbraw/zinc/14/04/05/449140405.db2.gz ILXDBADQYDTMRX-LNSITVRQSA-N 1 2 344.415 1.696 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(C#N)c1C ZINC000595738455 449140409 /nfs/dbraw/zinc/14/04/09/449140409.db2.gz ILXDBADQYDTMRX-LNSITVRQSA-N 1 2 344.415 1.696 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(O)cc(=O)[nH]3)CC2)cc1 ZINC000590410394 449150578 /nfs/dbraw/zinc/15/05/78/449150578.db2.gz NWJLHXAXDDMZNF-UHFFFAOYSA-N 1 2 338.367 1.322 20 30 EDEDLO CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595835499 449197690 /nfs/dbraw/zinc/19/76/90/449197690.db2.gz RXIQOHUGDSOYCO-CRAIPNDOSA-N 1 2 332.400 1.839 20 30 EDEDLO CCOC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595835499 449197693 /nfs/dbraw/zinc/19/76/93/449197693.db2.gz RXIQOHUGDSOYCO-CRAIPNDOSA-N 1 2 332.400 1.839 20 30 EDEDLO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@](C)(C#N)C3)CC2)c1 ZINC000595836166 449199405 /nfs/dbraw/zinc/19/94/05/449199405.db2.gz WXROTBOBLYIWSP-LJQANCHMSA-N 1 2 326.444 1.879 20 30 EDEDLO Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@](C)(C#N)C3)CC2)c1 ZINC000595836166 449199406 /nfs/dbraw/zinc/19/94/06/449199406.db2.gz WXROTBOBLYIWSP-LJQANCHMSA-N 1 2 326.444 1.879 20 30 EDEDLO C[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1[nH+]ccn1C ZINC000595843393 449202484 /nfs/dbraw/zinc/20/24/84/449202484.db2.gz ARNXKIQSJFUVTJ-ZDUSSCGKSA-N 1 2 339.403 1.280 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(C#N)c1C ZINC000595851189 449206714 /nfs/dbraw/zinc/20/67/14/449206714.db2.gz OZSPQNQSAKBTFK-CQSZACIVSA-N 1 2 346.431 1.943 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(C#N)c1C ZINC000595851189 449206720 /nfs/dbraw/zinc/20/67/20/449206720.db2.gz OZSPQNQSAKBTFK-CQSZACIVSA-N 1 2 346.431 1.943 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000590601100 449215375 /nfs/dbraw/zinc/21/53/75/449215375.db2.gz POWBDZSTLLSANU-CQSZACIVSA-N 1 2 340.387 1.352 20 30 EDEDLO N#Cc1ccc(CC[N@H+]2CCc3sc(S(N)(=O)=O)cc3C2)cc1 ZINC000595883750 449230437 /nfs/dbraw/zinc/23/04/37/449230437.db2.gz DKVPNONQTNMMJJ-UHFFFAOYSA-N 1 2 347.465 1.868 20 30 EDEDLO N#Cc1ccc(CC[N@@H+]2CCc3sc(S(N)(=O)=O)cc3C2)cc1 ZINC000595883750 449230442 /nfs/dbraw/zinc/23/04/42/449230442.db2.gz DKVPNONQTNMMJJ-UHFFFAOYSA-N 1 2 347.465 1.868 20 30 EDEDLO Cc1c(C#N)c(N2CC[NH+](CC(=O)N(C)C)CC2)nc2ccccc12 ZINC000590684804 449246421 /nfs/dbraw/zinc/24/64/21/449246421.db2.gz SPHSREJEWQZROI-UHFFFAOYSA-N 1 2 337.427 1.625 20 30 EDEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccsc1C#N)c1ccco1 ZINC000593525283 449324725 /nfs/dbraw/zinc/32/47/25/449324725.db2.gz OTBNHBWXCNFRJN-SNVBAGLBSA-N 1 2 325.415 1.794 20 30 EDEDLO CCc1nc(C#N)cc(NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)n1 ZINC000596077316 449350614 /nfs/dbraw/zinc/35/06/14/449350614.db2.gz SXIPDZSFUHXAGJ-ZDUSSCGKSA-N 1 2 338.415 2.143 20 30 EDEDLO C[C@]1(C#N)CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000596090752 449358200 /nfs/dbraw/zinc/35/82/00/449358200.db2.gz VHRPVGQVSNBFMZ-PKOBYXMFSA-N 1 2 342.443 1.833 20 30 EDEDLO C[C@]1(C#N)CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000596090752 449358204 /nfs/dbraw/zinc/35/82/04/449358204.db2.gz VHRPVGQVSNBFMZ-PKOBYXMFSA-N 1 2 342.443 1.833 20 30 EDEDLO CN1CCC[C@@H]([NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1=O ZINC000611551754 449333252 /nfs/dbraw/zinc/33/32/52/449333252.db2.gz SWRJPISJNUUUPM-IAGOWNOFSA-N 1 2 330.407 1.629 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000611794851 449423454 /nfs/dbraw/zinc/42/34/54/449423454.db2.gz KSXWBBCUTICMGT-INIZCTEOSA-N 1 2 328.416 1.772 20 30 EDEDLO C=C(C)C[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C(=O)OC ZINC000602197624 449425578 /nfs/dbraw/zinc/42/55/78/449425578.db2.gz VXPOCGYEFDKEIR-IRXDYDNUSA-N 1 2 346.427 1.894 20 30 EDEDLO C=C(C)C[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)C(=O)OC ZINC000602197624 449425585 /nfs/dbraw/zinc/42/55/85/449425585.db2.gz VXPOCGYEFDKEIR-IRXDYDNUSA-N 1 2 346.427 1.894 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]C[C@@H](n2cccn2)C(F)(F)F)C(N)=O)cc1 ZINC000600603859 449457115 /nfs/dbraw/zinc/45/71/15/449457115.db2.gz VGIAUVCVVLTZMA-OLZOCXBDSA-N 1 2 337.305 1.674 20 30 EDEDLO N#Cc1ccncc1NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596516584 449538495 /nfs/dbraw/zinc/53/84/95/449538495.db2.gz VHDJPHJOQNKHIY-LJQANCHMSA-N 1 2 338.411 1.629 20 30 EDEDLO N#Cc1ccncc1NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596516584 449538498 /nfs/dbraw/zinc/53/84/98/449538498.db2.gz VHDJPHJOQNKHIY-LJQANCHMSA-N 1 2 338.411 1.629 20 30 EDEDLO C[C@]1(C2CC2)C[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000594659264 449614038 /nfs/dbraw/zinc/61/40/38/449614038.db2.gz AJSMFFGPOGQQDK-QFBILLFUSA-N 1 2 339.395 1.691 20 30 EDEDLO C[C@]1(C2CC2)C[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000594659264 449614047 /nfs/dbraw/zinc/61/40/47/449614047.db2.gz AJSMFFGPOGQQDK-QFBILLFUSA-N 1 2 339.395 1.691 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2cnc(N)nc2C1 ZINC000598950550 449666894 /nfs/dbraw/zinc/66/68/94/449666894.db2.gz RLPXCTCBFJNWMZ-UHFFFAOYSA-N 1 2 325.372 1.376 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2cnc(N)nc2C1 ZINC000598950550 449666900 /nfs/dbraw/zinc/66/69/00/449666900.db2.gz RLPXCTCBFJNWMZ-UHFFFAOYSA-N 1 2 325.372 1.376 20 30 EDEDLO C=CC[NH+]1CCC(NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000601005190 449647883 /nfs/dbraw/zinc/64/78/83/449647883.db2.gz NKILYVMUVLJLMP-UHFFFAOYSA-N 1 2 328.372 1.410 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599000449 449689662 /nfs/dbraw/zinc/68/96/62/449689662.db2.gz UQPBMSPGBLPGDO-OAHLLOKOSA-N 1 2 342.443 1.541 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599000449 449689666 /nfs/dbraw/zinc/68/96/66/449689666.db2.gz UQPBMSPGBLPGDO-OAHLLOKOSA-N 1 2 342.443 1.541 20 30 EDEDLO N#Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)nc(C2CC2)n1 ZINC000601106604 449693185 /nfs/dbraw/zinc/69/31/85/449693185.db2.gz RPSFFFLSROEMPC-KRWDZBQOSA-N 1 2 345.472 1.845 20 30 EDEDLO Cc1nnc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c(C#N)c1C ZINC000599183788 449784426 /nfs/dbraw/zinc/78/44/26/449784426.db2.gz UYTUKRPQJVHXMY-MRXNPFEDSA-N 1 2 338.415 1.673 20 30 EDEDLO Cc1nnc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c(C#N)c1C ZINC000599183788 449784429 /nfs/dbraw/zinc/78/44/29/449784429.db2.gz UYTUKRPQJVHXMY-MRXNPFEDSA-N 1 2 338.415 1.673 20 30 EDEDLO N#Cc1cnc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c(F)c1 ZINC000599184546 449784896 /nfs/dbraw/zinc/78/48/96/449784896.db2.gz GTBXXNDVFNEPAL-HNNXBMFYSA-N 1 2 327.363 1.800 20 30 EDEDLO N#Cc1cnc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c(F)c1 ZINC000599184546 449784901 /nfs/dbraw/zinc/78/49/01/449784901.db2.gz GTBXXNDVFNEPAL-HNNXBMFYSA-N 1 2 327.363 1.800 20 30 EDEDLO C[C@H](c1cccc(NS(C)(=O)=O)c1)[NH+]1CCN(CCC#N)CC1 ZINC000601314967 449824965 /nfs/dbraw/zinc/82/49/65/449824965.db2.gz CNEWHGXOPCVXNS-CQSZACIVSA-N 1 2 336.461 1.650 20 30 EDEDLO C[C@@H](C#N)C[NH2+]Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O ZINC000597081610 449802154 /nfs/dbraw/zinc/80/21/54/449802154.db2.gz CBGRPCNSWQIGBR-LBPRGKRZSA-N 1 2 337.383 1.466 20 30 EDEDLO Cc1cccc(OCCNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602857877 449866557 /nfs/dbraw/zinc/86/65/57/449866557.db2.gz WKZXNNBDEYSBGY-IAGOWNOFSA-N 1 2 344.459 1.408 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863258 449873859 /nfs/dbraw/zinc/87/38/59/449873859.db2.gz PGJUIYRXQOINBO-FRRDWIJNSA-N 1 2 335.839 1.980 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863258 449873861 /nfs/dbraw/zinc/87/38/61/449873861.db2.gz PGJUIYRXQOINBO-FRRDWIJNSA-N 1 2 335.839 1.980 20 30 EDEDLO CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602865607 449875409 /nfs/dbraw/zinc/87/54/09/449875409.db2.gz UGBOLVFLBGMPIS-IIAWOOMASA-N 1 2 347.463 2.399 20 30 EDEDLO CC(C)c1n[nH]c(CC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)n1 ZINC000602868132 449878095 /nfs/dbraw/zinc/87/80/95/449878095.db2.gz ZLISKUSVLGEHIW-UHFFFAOYSA-N 1 2 344.463 1.745 20 30 EDEDLO CC(C)c1nnc(CC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)[nH]1 ZINC000602868132 449878098 /nfs/dbraw/zinc/87/80/98/449878098.db2.gz ZLISKUSVLGEHIW-UHFFFAOYSA-N 1 2 344.463 1.745 20 30 EDEDLO CC(C)c1nc(CC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)n[nH]1 ZINC000602868132 449878102 /nfs/dbraw/zinc/87/81/02/449878102.db2.gz ZLISKUSVLGEHIW-UHFFFAOYSA-N 1 2 344.463 1.745 20 30 EDEDLO COc1ccc(C[NH+]2CCN(CC(F)(F)CO)CC2)cc1C#N ZINC000602874612 449882845 /nfs/dbraw/zinc/88/28/45/449882845.db2.gz FCPQPDPYLJSNBX-UHFFFAOYSA-N 1 2 325.359 1.312 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)NCC2(C#N)CCCCC2)C1 ZINC000597398044 449996954 /nfs/dbraw/zinc/99/69/54/449996954.db2.gz SIVOIVMBHMCSMX-AWEZNQCLSA-N 1 2 343.431 1.326 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987381 449982748 /nfs/dbraw/zinc/98/27/48/449982748.db2.gz DXULLXOHPKLKQU-SCDSUCTJSA-N 1 2 341.333 1.988 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987381 449982758 /nfs/dbraw/zinc/98/27/58/449982758.db2.gz DXULLXOHPKLKQU-SCDSUCTJSA-N 1 2 341.333 1.988 20 30 EDEDLO N#CC1(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000597401597 450000856 /nfs/dbraw/zinc/00/08/56/450000856.db2.gz WBBOVHDTYSHDCC-HNNXBMFYSA-N 1 2 343.431 1.637 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)NC1CCN(CC#N)CC1 ZINC000609339962 450015087 /nfs/dbraw/zinc/01/50/87/450015087.db2.gz WDMJGTNJLDHNOE-UHFFFAOYSA-N 1 2 340.431 1.632 20 30 EDEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)ncc1C#N ZINC000603118062 450080221 /nfs/dbraw/zinc/08/02/21/450080221.db2.gz FFOYTRTVEWXPDG-UHFFFAOYSA-N 1 2 325.372 2.204 20 30 EDEDLO COCC[N@H+](C)Cc1cn([C@@H](C)C(=O)NC2(C#N)CCCCC2)nn1 ZINC000603177686 450115992 /nfs/dbraw/zinc/11/59/92/450115992.db2.gz SPBAWVRHKRIWRJ-AWEZNQCLSA-N 1 2 348.451 1.260 20 30 EDEDLO COCC[N@@H+](C)Cc1cn([C@@H](C)C(=O)NC2(C#N)CCCCC2)nn1 ZINC000603177686 450115998 /nfs/dbraw/zinc/11/59/98/450115998.db2.gz SPBAWVRHKRIWRJ-AWEZNQCLSA-N 1 2 348.451 1.260 20 30 EDEDLO COC(=O)[C@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccccc21 ZINC000599671925 450143085 /nfs/dbraw/zinc/14/30/85/450143085.db2.gz UPDLDQWZBXIUSA-QFBILLFUSA-N 1 2 341.411 1.567 20 30 EDEDLO COC(=O)[C@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)Cc2ccccc21 ZINC000599671925 450143091 /nfs/dbraw/zinc/14/30/91/450143091.db2.gz UPDLDQWZBXIUSA-QFBILLFUSA-N 1 2 341.411 1.567 20 30 EDEDLO Cc1onc(CC(=O)NCc2nc(C[NH+]3CCCCC3)no2)c1C#N ZINC000597620833 450150795 /nfs/dbraw/zinc/15/07/95/450150795.db2.gz CWQSXTNPWKTZOE-UHFFFAOYSA-N 1 2 344.375 1.083 20 30 EDEDLO COC[C@@]1(C)C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000599698335 450161494 /nfs/dbraw/zinc/16/14/94/450161494.db2.gz QVWQADILGWVCDD-IEBWSBKVSA-N 1 2 343.427 1.791 20 30 EDEDLO COC[C@@]1(C)C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000599698335 450161497 /nfs/dbraw/zinc/16/14/97/450161497.db2.gz QVWQADILGWVCDD-IEBWSBKVSA-N 1 2 343.427 1.791 20 30 EDEDLO COC[C@@]1(C)C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000599697711 450161848 /nfs/dbraw/zinc/16/18/48/450161848.db2.gz PPJRTWLNNIOXDV-FUHWJXTLSA-N 1 2 329.400 1.401 20 30 EDEDLO COC[C@@]1(C)C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000599697711 450161854 /nfs/dbraw/zinc/16/18/54/450161854.db2.gz PPJRTWLNNIOXDV-FUHWJXTLSA-N 1 2 329.400 1.401 20 30 EDEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000599703333 450165122 /nfs/dbraw/zinc/16/51/22/450165122.db2.gz PIMNWYODQYCACM-SFHVURJKSA-N 1 2 342.443 1.924 20 30 EDEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000599703333 450165126 /nfs/dbraw/zinc/16/51/26/450165126.db2.gz PIMNWYODQYCACM-SFHVURJKSA-N 1 2 342.443 1.924 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)C[C@H]1C[N@H+](C)CCO1 ZINC000601740881 450205197 /nfs/dbraw/zinc/20/51/97/450205197.db2.gz SZGVJURFZRVOCQ-MRXNPFEDSA-N 1 2 347.463 1.135 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)C[C@H]1C[N@@H+](C)CCO1 ZINC000601740881 450205201 /nfs/dbraw/zinc/20/52/01/450205201.db2.gz SZGVJURFZRVOCQ-MRXNPFEDSA-N 1 2 347.463 1.135 20 30 EDEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1n[nH]c(=O)o1 ZINC000595548772 450224833 /nfs/dbraw/zinc/22/48/33/450224833.db2.gz ZXTZPEGPKCYUHB-UHFFFAOYSA-N 1 2 347.400 1.658 20 30 EDEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1n[nH]c(=O)o1 ZINC000595548772 450224840 /nfs/dbraw/zinc/22/48/40/450224840.db2.gz ZXTZPEGPKCYUHB-UHFFFAOYSA-N 1 2 347.400 1.658 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614616 450273597 /nfs/dbraw/zinc/27/35/97/450273597.db2.gz FVQBJDOTPYKMSB-MCIONIFRSA-N 1 2 349.456 1.447 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614616 450273600 /nfs/dbraw/zinc/27/36/00/450273600.db2.gz FVQBJDOTPYKMSB-MCIONIFRSA-N 1 2 349.456 1.447 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1)c1cccc(Cl)c1 ZINC000610604390 450271604 /nfs/dbraw/zinc/27/16/04/450271604.db2.gz PQPBJJNCLBSYKN-GASCZTMLSA-N 1 2 337.807 1.014 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1)c1cccc(Cl)c1 ZINC000610604390 450271609 /nfs/dbraw/zinc/27/16/09/450271609.db2.gz PQPBJJNCLBSYKN-GASCZTMLSA-N 1 2 337.807 1.014 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610904423 450376652 /nfs/dbraw/zinc/37/66/52/450376652.db2.gz FAWUAYTXLDQVRD-HNNXBMFYSA-N 1 2 337.383 1.865 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000636673553 451403230 /nfs/dbraw/zinc/40/32/30/451403230.db2.gz VFCBCOJKKFYANQ-GJZGRUSLSA-N 1 2 339.480 1.320 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)nn1 ZINC000640802024 451595584 /nfs/dbraw/zinc/59/55/84/451595584.db2.gz BHMPDYYDLNFYRI-CABCVRRESA-N 1 2 337.427 1.930 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N(C)Cc2cccc(F)c2)nn1 ZINC000640857843 451643614 /nfs/dbraw/zinc/64/36/14/451643614.db2.gz FEWRIPHAAURMDJ-CQSZACIVSA-N 1 2 343.406 1.750 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)nn1 ZINC000653603336 452035986 /nfs/dbraw/zinc/03/59/86/452035986.db2.gz IKAIPURNKJEAGG-ZDUSSCGKSA-N 1 2 349.460 1.613 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000645138470 452172960 /nfs/dbraw/zinc/17/29/60/452172960.db2.gz KJHZJIBMMMDSEX-BBRMVZONSA-N 1 2 344.390 1.722 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)nn1 ZINC000657444925 452251500 /nfs/dbraw/zinc/25/15/00/452251500.db2.gz SGLJTKDWAJEMES-UHFFFAOYSA-N 1 2 326.447 1.609 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000652060603 452253393 /nfs/dbraw/zinc/25/33/93/452253393.db2.gz VVQZHAQZHFRKGP-SQNIBIBYSA-N 1 2 345.443 1.703 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000666420536 452856922 /nfs/dbraw/zinc/85/69/22/452856922.db2.gz DOSQFELHEWLOQI-MRXNPFEDSA-N 1 2 330.432 1.638 20 30 EDEDLO C=C(C)C[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccc(CO)o1 ZINC000671720855 486731294 /nfs/dbraw/zinc/73/12/94/486731294.db2.gz LBBXIXIULNARNP-SFHVURJKSA-N 1 2 348.443 1.787 20 30 EDEDLO C=C(C)C[N@@H+](CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccc(CO)o1 ZINC000671720855 486731299 /nfs/dbraw/zinc/73/12/99/486731299.db2.gz LBBXIXIULNARNP-SFHVURJKSA-N 1 2 348.443 1.787 20 30 EDEDLO CCCCNC(=O)C[NH+]1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000676506526 486789456 /nfs/dbraw/zinc/78/94/56/486789456.db2.gz KRIKRUOPCCZFEW-UHFFFAOYSA-N 1 2 331.435 1.711 20 30 EDEDLO C=C(CNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000673194847 486945902 /nfs/dbraw/zinc/94/59/02/486945902.db2.gz GMYZDCDVFYHLME-UHFFFAOYSA-N 1 2 339.443 1.961 20 30 EDEDLO COCC#CC[NH+]1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000677477932 487096563 /nfs/dbraw/zinc/09/65/63/487096563.db2.gz FUAZOMRVTJELMZ-UHFFFAOYSA-N 1 2 330.428 1.422 20 30 EDEDLO C=CCNC(=O)CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000679030379 487387751 /nfs/dbraw/zinc/38/77/51/487387751.db2.gz RRQPTNIAHFAAQA-HNNXBMFYSA-N 1 2 341.415 1.305 20 30 EDEDLO C=CCOCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000679481078 487430465 /nfs/dbraw/zinc/43/04/65/487430465.db2.gz ZIOPVHIPHMVDBY-KRWDZBQOSA-N 1 2 333.432 1.562 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)c1C ZINC000284317842 486241751 /nfs/dbraw/zinc/24/17/51/486241751.db2.gz AVXYOHFDBYAKPP-HKUYNNGSSA-N 1 2 331.460 1.879 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H]3OCCN(C)[C@H]3C2)c1C ZINC000284317842 486241756 /nfs/dbraw/zinc/24/17/56/486241756.db2.gz AVXYOHFDBYAKPP-HKUYNNGSSA-N 1 2 331.460 1.879 20 30 EDEDLO Cc1ncc(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000112280954 534723630 /nfs/dbraw/zinc/72/36/30/534723630.db2.gz WKWYVNRNFKNTJU-ONEGZZNKSA-N 1 2 334.445 1.539 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2[nH]c1=S ZINC000132464003 527334337 /nfs/dbraw/zinc/33/43/37/527334337.db2.gz VEHVSBBVFOUOOA-LLVKDONJSA-N 1 2 330.413 1.044 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000112359755 528355112 /nfs/dbraw/zinc/35/51/12/528355112.db2.gz LZZXREMWZQKGOE-INIZCTEOSA-N 1 2 346.406 1.625 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000112359755 528355118 /nfs/dbraw/zinc/35/51/18/528355118.db2.gz LZZXREMWZQKGOE-INIZCTEOSA-N 1 2 346.406 1.625 20 30 EDEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1 ZINC000129373128 528556496 /nfs/dbraw/zinc/55/64/96/528556496.db2.gz WHTRIGSJWCWNBB-YCQURQMESA-N 1 2 340.445 1.928 20 30 EDEDLO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000128330502 529296545 /nfs/dbraw/zinc/29/65/45/529296545.db2.gz RLFYALUQRQQGPJ-OAHLLOKOSA-N 1 2 344.415 1.266 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271255208 536758377 /nfs/dbraw/zinc/75/83/77/536758377.db2.gz SQGMRPKQQYDUFX-KRWDZBQOSA-N 1 2 329.400 1.750 20 30 EDEDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000740819839 579385886 /nfs/dbraw/zinc/38/58/86/579385886.db2.gz GQADHWLUVKNYNH-HNNXBMFYSA-N 1 2 342.443 1.768 20 30 EDEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCOC1 ZINC000730264598 578637721 /nfs/dbraw/zinc/63/77/21/578637721.db2.gz JUAKFYBSOAFNPD-AAEUAGOBSA-N 1 2 326.356 1.232 20 30 EDEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCOC1 ZINC000730264598 578637722 /nfs/dbraw/zinc/63/77/22/578637722.db2.gz JUAKFYBSOAFNPD-AAEUAGOBSA-N 1 2 326.356 1.232 20 30 EDEDLO CNC(=O)CNC(=S)N[NH+]=Cc1ccccc1N1CCCCC1 ZINC000731927470 578683598 /nfs/dbraw/zinc/68/35/98/578683598.db2.gz INBAEJQSTBVACN-UHFFFAOYSA-N 1 2 333.461 1.221 20 30 EDEDLO COCCOc1ccc([NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)cc1 ZINC000734158193 578801057 /nfs/dbraw/zinc/80/10/57/578801057.db2.gz SBBLOKAEJPENOL-CYBMUJFWSA-N 1 2 327.388 1.934 20 30 EDEDLO N#Cc1ccc2[nH+]cc(/C=C3\SC(N4CCOCC4)=NC3=O)n2c1 ZINC000736432887 578988181 /nfs/dbraw/zinc/98/81/81/578988181.db2.gz JOOJEDRHKJLZEU-QPEQYQDCSA-N 1 2 339.380 1.508 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN=Nc3ccc(-n4cccn4)nn3)n2c1 ZINC000736430256 578988345 /nfs/dbraw/zinc/98/83/45/578988345.db2.gz SVOPPAYGXJQWDF-UHFFFAOYSA-N 1 2 329.327 1.628 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2ccnc(N3CCCCC3)n2)CC1 ZINC000739708281 579239338 /nfs/dbraw/zinc/23/93/38/579239338.db2.gz BEVZNOXMGZZIGN-UHFFFAOYSA-N 1 2 327.432 1.248 20 30 EDEDLO CC(C)C[N@H+](CCC#N)CC(=O)NCCCN1CCCCCC1=O ZINC000739913864 579267290 /nfs/dbraw/zinc/26/72/90/579267290.db2.gz BXHVLJFTDCPRLM-UHFFFAOYSA-N 1 2 336.480 1.767 20 30 EDEDLO CC(C)C[N@@H+](CCC#N)CC(=O)NCCCN1CCCCCC1=O ZINC000739913864 579267291 /nfs/dbraw/zinc/26/72/91/579267291.db2.gz BXHVLJFTDCPRLM-UHFFFAOYSA-N 1 2 336.480 1.767 20 30 EDEDLO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000747967774 579664883 /nfs/dbraw/zinc/66/48/83/579664883.db2.gz YCBHAGHMKRQGBV-RYUDHWBXSA-N 1 2 344.440 1.786 20 30 EDEDLO CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000747967774 579664884 /nfs/dbraw/zinc/66/48/84/579664884.db2.gz YCBHAGHMKRQGBV-RYUDHWBXSA-N 1 2 344.440 1.786 20 30 EDEDLO N#Cc1c(F)cccc1S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000751067127 579793409 /nfs/dbraw/zinc/79/34/09/579793409.db2.gz NCPNPHNKSFGTRH-GFCCVEGCSA-N 1 2 334.376 1.920 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000752060914 579836486 /nfs/dbraw/zinc/83/64/86/579836486.db2.gz UAKRGDMFRIOTHD-RDJZCZTQSA-N 1 2 339.399 1.776 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000752060914 579836487 /nfs/dbraw/zinc/83/64/87/579836487.db2.gz UAKRGDMFRIOTHD-RDJZCZTQSA-N 1 2 339.399 1.776 20 30 EDEDLO N#Cc1c(N[C@H]2CCN(c3cccc[nH+]3)C2)cccc1S(N)(=O)=O ZINC000755025602 579918430 /nfs/dbraw/zinc/91/84/30/579918430.db2.gz BKHFKOZUIYCBKS-LBPRGKRZSA-N 1 2 343.412 1.291 20 30 EDEDLO COc1ccnc(N=NCc2c(-n3cc[nH+]c3)nc3ccccn32)n1 ZINC000755641322 579931592 /nfs/dbraw/zinc/93/15/92/579931592.db2.gz WMPABOXZEYDJTR-UHFFFAOYSA-N 1 2 334.343 1.765 20 30 EDEDLO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1cccc(C#N)c1=O ZINC000758219475 579977194 /nfs/dbraw/zinc/97/71/94/579977194.db2.gz HPHLARAIGSDWQN-UHFFFAOYSA-N 1 2 338.411 1.901 20 30 EDEDLO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1cccc(C#N)c1=O ZINC000758219475 579977195 /nfs/dbraw/zinc/97/71/95/579977195.db2.gz HPHLARAIGSDWQN-UHFFFAOYSA-N 1 2 338.411 1.901 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](Cn3cnc(-c4ccccn4)n3)CC2)c1 ZINC000762482461 580075311 /nfs/dbraw/zinc/07/53/11/580075311.db2.gz LAIAUZRZFOFBHQ-UHFFFAOYSA-N 1 2 346.398 1.386 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000764917340 580131165 /nfs/dbraw/zinc/13/11/65/580131165.db2.gz WQBBXGFRQCJZEP-ZDUSSCGKSA-N 1 2 328.332 1.535 20 30 EDEDLO CC(C)(C)n1ncc2c1nc(N=NC1CC[N@@H+]3CCC[C@H]13)[nH]c2=O ZINC000765575095 580145812 /nfs/dbraw/zinc/14/58/12/580145812.db2.gz HFHUFGOXAPNRSS-GFCCVEGCSA-N 1 2 329.408 1.923 20 30 EDEDLO CC(C)(C)n1ncc2c1nc(N=NC1CC[N@H+]3CCC[C@H]13)[nH]c2=O ZINC000765575095 580145813 /nfs/dbraw/zinc/14/58/13/580145813.db2.gz HFHUFGOXAPNRSS-GFCCVEGCSA-N 1 2 329.408 1.923 20 30 EDEDLO O=[N+]([O-])c1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c([N+](=O)[O-])c1 ZINC000766030326 580157022 /nfs/dbraw/zinc/15/70/22/580157022.db2.gz TVVYNRBKMCZYOP-RYUDHWBXSA-N 1 2 332.320 1.697 20 30 EDEDLO C[N@H+](CC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CCSC1 ZINC000767114630 580181979 /nfs/dbraw/zinc/18/19/79/580181979.db2.gz CLDIZLWATZPTAM-UKRRQHHQSA-N 1 2 333.413 1.065 20 30 EDEDLO C[N@@H+](CC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CCSC1 ZINC000767114630 580181980 /nfs/dbraw/zinc/18/19/80/580181980.db2.gz CLDIZLWATZPTAM-UKRRQHHQSA-N 1 2 333.413 1.065 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnc3ccccc3c2)CC1 ZINC000770230840 580256070 /nfs/dbraw/zinc/25/60/70/580256070.db2.gz PORYFZVDVAYARR-UHFFFAOYSA-N 1 2 329.425 1.564 20 30 EDEDLO C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccccc1C#N ZINC000772050286 580301898 /nfs/dbraw/zinc/30/18/98/580301898.db2.gz PUUFXBDWLOVZLJ-GXTWGEPZSA-N 1 2 347.440 1.866 20 30 EDEDLO C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccccc1C#N ZINC000772050286 580301899 /nfs/dbraw/zinc/30/18/99/580301899.db2.gz PUUFXBDWLOVZLJ-GXTWGEPZSA-N 1 2 347.440 1.866 20 30 EDEDLO C#C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000773612746 580342543 /nfs/dbraw/zinc/34/25/43/580342543.db2.gz JXQGIORDWBMLJI-AWEZNQCLSA-N 1 2 329.400 1.307 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000773977809 580350846 /nfs/dbraw/zinc/35/08/46/580350846.db2.gz PKYSYDHMESZYDH-HIFRSBDPSA-N 1 2 347.440 1.780 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000773977809 580350847 /nfs/dbraw/zinc/35/08/47/580350847.db2.gz PKYSYDHMESZYDH-HIFRSBDPSA-N 1 2 347.440 1.780 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1nc2cc(S(=O)(=O)CC)ccc2o1)[C@H]1CCCO1 ZINC000775784611 580400222 /nfs/dbraw/zinc/40/02/22/580400222.db2.gz KNNNNGLAOJVZQG-UKRRQHHQSA-N 1 2 348.424 1.892 20 30 EDEDLO CCC(CC)[C@H](C(=O)OC1CCN(CC#N)CC1)[NH+]1CCOCC1 ZINC000778685010 580470145 /nfs/dbraw/zinc/47/01/45/580470145.db2.gz DEYGCGUOPJJSHB-QGZVFWFLSA-N 1 2 337.464 1.655 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000779215223 580481246 /nfs/dbraw/zinc/48/12/46/580481246.db2.gz KIYWRTYMQLBXMK-LBPRGKRZSA-N 1 2 345.390 1.360 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000779215223 580481247 /nfs/dbraw/zinc/48/12/47/580481247.db2.gz KIYWRTYMQLBXMK-LBPRGKRZSA-N 1 2 345.390 1.360 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000781097320 580542078 /nfs/dbraw/zinc/54/20/78/580542078.db2.gz GYDFHSQCRRRRIJ-JKSUJKDBSA-N 1 2 343.468 1.109 20 30 EDEDLO COc1cccc(/C=N/[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1O ZINC000782880014 580587470 /nfs/dbraw/zinc/58/74/70/580587470.db2.gz IWUWCHOMHZQDCY-XLTHYULKSA-N 1 2 342.399 1.744 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000782998410 580590856 /nfs/dbraw/zinc/59/08/56/580590856.db2.gz GTGTWUNBRXWFSK-UHFFFAOYSA-N 1 2 348.428 1.272 20 30 EDEDLO CO[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC[C@@H]1C ZINC000784364920 580619509 /nfs/dbraw/zinc/61/95/09/580619509.db2.gz JMTUXEGXNBYAJK-XJKSGUPXSA-N 1 2 326.400 1.777 20 30 EDEDLO CO[C@@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC[C@@H]1C ZINC000784364920 580619510 /nfs/dbraw/zinc/61/95/10/580619510.db2.gz JMTUXEGXNBYAJK-XJKSGUPXSA-N 1 2 326.400 1.777 20 30 EDEDLO C#CCOCCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000784593586 580624669 /nfs/dbraw/zinc/62/46/69/580624669.db2.gz HXZBKPREIKKDSX-UHFFFAOYSA-N 1 2 340.383 1.292 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000786172571 580663492 /nfs/dbraw/zinc/66/34/92/580663492.db2.gz FRXPNMFGECWLMO-CABCVRRESA-N 1 2 335.448 1.409 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C[C@@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799294920 581024190 /nfs/dbraw/zinc/02/41/90/581024190.db2.gz RFVWYTJDWLGREK-LJQANCHMSA-N 1 2 340.402 1.944 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](C[C@@H](O)c3ccc(F)cn3)CC2)cc1 ZINC000799294920 581024191 /nfs/dbraw/zinc/02/41/91/581024191.db2.gz RFVWYTJDWLGREK-LJQANCHMSA-N 1 2 340.402 1.944 20 30 EDEDLO C#C[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000799803418 581037011 /nfs/dbraw/zinc/03/70/11/581037011.db2.gz JWORMJGHYLLOJD-HOTGVXAUSA-N 1 2 345.424 1.391 20 30 EDEDLO C#C[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[C@H]1CCCO1 ZINC000799803419 581037021 /nfs/dbraw/zinc/03/70/21/581037021.db2.gz JWORMJGHYLLOJD-HZPDHXFCSA-N 1 2 345.424 1.391 20 30 EDEDLO CC1(C)CC(=O)N(C[NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O ZINC000799942933 581039439 /nfs/dbraw/zinc/03/94/39/581039439.db2.gz INCHXHMPIWIEJM-UHFFFAOYSA-N 1 2 326.400 1.681 20 30 EDEDLO COc1ccc(-c2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)no2)cc1 ZINC000890888240 590833700 /nfs/dbraw/zinc/83/37/00/590833700.db2.gz YNVJEUJCIGERPC-QGZVFWFLSA-N 1 2 328.372 1.924 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cn2ccnc2s1 ZINC000892224070 590873122 /nfs/dbraw/zinc/87/31/22/590873122.db2.gz PSTSHHQXRJOTQH-GFCCVEGCSA-N 1 2 339.428 1.768 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cn2ccnc2s1 ZINC000892224070 590873124 /nfs/dbraw/zinc/87/31/24/590873124.db2.gz PSTSHHQXRJOTQH-GFCCVEGCSA-N 1 2 339.428 1.768 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)Cc2ccccc2CC#N)C[N@@H+]1C ZINC000893567878 590967865 /nfs/dbraw/zinc/96/78/65/590967865.db2.gz FBUCGGIXHMHQDQ-QAPCUYQASA-N 1 2 330.384 1.474 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)Cc2ccccc2CC#N)C[N@H+]1C ZINC000893567878 590967868 /nfs/dbraw/zinc/96/78/68/590967868.db2.gz FBUCGGIXHMHQDQ-QAPCUYQASA-N 1 2 330.384 1.474 20 30 EDEDLO COCCOc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)o1 ZINC000891558425 591124729 /nfs/dbraw/zinc/12/47/29/591124729.db2.gz IXULZRMIIYPBAM-UHFFFAOYSA-N 1 2 342.399 1.894 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)nc2)CC1 ZINC000891617644 591151701 /nfs/dbraw/zinc/15/17/01/591151701.db2.gz ZMVXGMUTZMEVGZ-UHFFFAOYSA-N 1 2 328.338 1.525 20 30 EDEDLO CCOC(=O)Cn1cc(C[N@H+](C)C[C@H](C)C#N)c(-c2cnn(C)c2)n1 ZINC000893995814 591157725 /nfs/dbraw/zinc/15/77/25/591157725.db2.gz SYOLGIKHKWCBTK-CYBMUJFWSA-N 1 2 344.419 1.438 20 30 EDEDLO CCOC(=O)Cn1cc(C[N@@H+](C)C[C@H](C)C#N)c(-c2cnn(C)c2)n1 ZINC000893995814 591157728 /nfs/dbraw/zinc/15/77/28/591157728.db2.gz SYOLGIKHKWCBTK-CYBMUJFWSA-N 1 2 344.419 1.438 20 30 EDEDLO C#CCC1(O)CC[NH+](Cc2c(Br)c(C)nn2C)CC1 ZINC000895670823 591248271 /nfs/dbraw/zinc/24/82/71/591248271.db2.gz WEUXNJMXHBTNBD-UHFFFAOYSA-N 1 2 326.238 1.841 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2c3ccccc3C(=O)OC23CCC3)CC1 ZINC000895898113 591299158 /nfs/dbraw/zinc/29/91/58/591299158.db2.gz KWJMTNMEYPNUFW-QGZVFWFLSA-N 1 2 338.407 1.641 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000898503695 591389464 /nfs/dbraw/zinc/38/94/64/591389464.db2.gz XSBWUEBZJYUMEO-IRXDYDNUSA-N 1 2 328.391 1.791 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1 ZINC000898503695 591389467 /nfs/dbraw/zinc/38/94/67/591389467.db2.gz XSBWUEBZJYUMEO-IRXDYDNUSA-N 1 2 328.391 1.791 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896532530 591496406 /nfs/dbraw/zinc/49/64/06/591496406.db2.gz LSZPGQVLHGBCNA-RVKKMQEKSA-N 1 2 328.460 1.487 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896532530 591496407 /nfs/dbraw/zinc/49/64/07/591496407.db2.gz LSZPGQVLHGBCNA-RVKKMQEKSA-N 1 2 328.460 1.487 20 30 EDEDLO COC[C@@H](C)Oc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000895066364 591561110 /nfs/dbraw/zinc/56/11/10/591561110.db2.gz IZHTWWQQFZJQTA-OAHLLOKOSA-N 1 2 331.416 1.658 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000895179969 591644259 /nfs/dbraw/zinc/64/42/59/591644259.db2.gz JSTPLRQBLMSDGF-OAGGEKHMSA-N 1 2 328.416 1.919 20 30 EDEDLO COc1cc(C[NH+]2CCN(Cc3nnc(C)[nH]3)CC2)ccc1C#N ZINC000895265210 591691321 /nfs/dbraw/zinc/69/13/21/591691321.db2.gz KWRIRAVNFBHRBG-UHFFFAOYSA-N 1 2 326.404 1.311 20 30 EDEDLO C#CC(=O)NC1CC[NH+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000899152449 591709280 /nfs/dbraw/zinc/70/92/80/591709280.db2.gz HENOZCOHWJSVAU-ZDUSSCGKSA-N 1 2 334.441 1.365 20 30 EDEDLO C=CCn1cc(CNC(=O)NCc2c(C)[nH+]c3ccccn32)nn1 ZINC000895444371 591757232 /nfs/dbraw/zinc/75/72/32/591757232.db2.gz DOLFINXDSSCSMY-UHFFFAOYSA-N 1 2 325.376 1.420 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000728567260 591777383 /nfs/dbraw/zinc/77/73/83/591777383.db2.gz RCSVMSOZVRDTAJ-UHFFFAOYSA-N 1 2 343.456 1.180 20 30 EDEDLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000895578016 591808297 /nfs/dbraw/zinc/80/82/97/591808297.db2.gz WQIFKHHVNHYJSE-ZDUSSCGKSA-N 1 2 325.294 1.754 20 30 EDEDLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000895578016 591808301 /nfs/dbraw/zinc/80/83/01/591808301.db2.gz WQIFKHHVNHYJSE-ZDUSSCGKSA-N 1 2 325.294 1.754 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccnc3ccc(OC)cc32)CC1 ZINC000902899998 592082038 /nfs/dbraw/zinc/08/20/38/592082038.db2.gz JAYQLMHHGXVVRI-UHFFFAOYSA-N 1 2 339.395 1.400 20 30 EDEDLO C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cccc(C#N)c1O ZINC000903369924 592161910 /nfs/dbraw/zinc/16/19/10/592161910.db2.gz AAESOBBSBBTCMW-CYBMUJFWSA-N 1 2 332.400 1.963 20 30 EDEDLO COc1ccc(CNC(=O)/C=C(/C)C[NH+]2CCOCC2)cc1C#N ZINC000901159432 592255086 /nfs/dbraw/zinc/25/50/86/592255086.db2.gz CGRTXQBLEOMVJF-ZROIWOOFSA-N 1 2 329.400 1.462 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)cc1 ZINC000908030591 592267309 /nfs/dbraw/zinc/26/73/09/592267309.db2.gz YOBIUFXDILRLDL-OZSKJFCKSA-N 1 2 327.428 1.240 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NC[C@H]2CN3CC[N@H+]2CCC3)cc1 ZINC000908030591 592267313 /nfs/dbraw/zinc/26/73/13/592267313.db2.gz YOBIUFXDILRLDL-OZSKJFCKSA-N 1 2 327.428 1.240 20 30 EDEDLO COCOc1ccc(C#N)cc1-c1ccccc1[C@H]1[NH2+]CCNC1=O ZINC000904881256 592334809 /nfs/dbraw/zinc/33/48/09/592334809.db2.gz KDLKVEQYLAAULY-GOSISDBHSA-N 1 2 337.379 1.968 20 30 EDEDLO COC(=O)c1cc2n(n1)CC/C(=C\c1ncc(C[NH+](C)C)s1)C2=O ZINC000901561817 592392205 /nfs/dbraw/zinc/39/22/05/592392205.db2.gz YOKLCMOVQYFAEI-UXBLZVDNSA-N 1 2 346.412 1.858 20 30 EDEDLO CC(=O)N1CC[NH+]([C@H]2CN(C(=O)c3ccsc3C#N)C[C@H]2C)CC1 ZINC000906934772 592416767 /nfs/dbraw/zinc/41/67/67/592416767.db2.gz TXEJPNHPHXMFNQ-DOMZBBRYSA-N 1 2 346.456 1.244 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000906996373 592467629 /nfs/dbraw/zinc/46/76/29/592467629.db2.gz LJFOXBJPSICDQN-MRXNPFEDSA-N 1 2 334.441 1.153 20 30 EDEDLO C#CCCCc1nnc(N2CCN(C3=[NH+]CC(C)(C)S3)CC2)n1C ZINC000908532078 592526848 /nfs/dbraw/zinc/52/68/48/592526848.db2.gz OKVJXOLJKMDLEV-UHFFFAOYSA-N 1 2 346.504 1.774 20 30 EDEDLO C#CCNC(=O)CC[NH2+][C@H](c1nccn1C)c1ccc(F)cc1F ZINC000905687292 592613148 /nfs/dbraw/zinc/61/31/48/592613148.db2.gz NABSLWAKJBUNRS-INIZCTEOSA-N 1 2 332.354 1.517 20 30 EDEDLO C#CC[C@@H](NC(=O)c1ccc(NCc2[nH+]ccn2C)cc1)C(=O)OC ZINC000909888758 592708215 /nfs/dbraw/zinc/70/82/15/592708215.db2.gz FBUFFYSSCQUNRH-OAHLLOKOSA-N 1 2 340.383 1.327 20 30 EDEDLO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000735305689 592980965 /nfs/dbraw/zinc/98/09/65/592980965.db2.gz CAHWCHHQEKIZBE-ZDUSSCGKSA-N 1 2 328.821 1.861 20 30 EDEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000735305689 592980966 /nfs/dbraw/zinc/98/09/66/592980966.db2.gz CAHWCHHQEKIZBE-ZDUSSCGKSA-N 1 2 328.821 1.861 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)C(F)(F)c2ccccc2C#N)[C@H](C)CO1 ZINC000912395504 593092642 /nfs/dbraw/zinc/09/26/42/593092642.db2.gz WEDULFWVVKAYGN-CHWSQXEVSA-N 1 2 337.370 1.875 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(F)(F)c2ccccc2C#N)[C@H](C)CO1 ZINC000912395504 593092643 /nfs/dbraw/zinc/09/26/43/593092643.db2.gz WEDULFWVVKAYGN-CHWSQXEVSA-N 1 2 337.370 1.875 20 30 EDEDLO CC(C)(C)C#CC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000838372070 593164980 /nfs/dbraw/zinc/16/49/80/593164980.db2.gz HMMOFUZKIZSDMZ-UHFFFAOYSA-N 1 2 348.468 1.985 20 30 EDEDLO CC(C)(C)n1ncc2c1nc(N[NH+]=Cc1ccc(N)nc1)[nH]c2=O ZINC000807970958 593212800 /nfs/dbraw/zinc/21/28/00/593212800.db2.gz CVPKFUJVGYTBQH-UHFFFAOYSA-N 1 2 326.364 1.710 20 30 EDEDLO C=CCN1CCN(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000839949204 593218976 /nfs/dbraw/zinc/21/89/76/593218976.db2.gz LMEWFVFAXDWGLX-UHFFFAOYSA-N 1 2 345.403 1.598 20 30 EDEDLO COC(=O)C[C@]1([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])CCCOC1 ZINC000838934682 593241532 /nfs/dbraw/zinc/24/15/32/593241532.db2.gz YFQBVTVIHWVPTN-MRXNPFEDSA-N 1 2 333.344 1.668 20 30 EDEDLO C#Cc1cc(F)c(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c(F)c1 ZINC000802551703 593263043 /nfs/dbraw/zinc/26/30/43/593263043.db2.gz XVOSAQPTBYHVAY-UHFFFAOYSA-N 1 2 346.337 1.678 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)CCC1 ZINC000809840750 593364565 /nfs/dbraw/zinc/36/45/65/593364565.db2.gz VPHVJBRHXKWZQL-CYBMUJFWSA-N 1 2 338.433 1.179 20 30 EDEDLO C=CCN1CCN(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)C1=O ZINC000840025415 593387903 /nfs/dbraw/zinc/38/79/03/593387903.db2.gz SATTVTNCTANILQ-UHFFFAOYSA-N 1 2 348.422 1.837 20 30 EDEDLO CCOC(=O)c1cnc(N=NCc2c[nH+]c(N(C)C)n2C)nc1C ZINC000811646889 593475606 /nfs/dbraw/zinc/47/56/06/593475606.db2.gz PIFWWPFVNNJEJF-UHFFFAOYSA-N 1 2 331.380 1.207 20 30 EDEDLO N#Cc1ccncc1N1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000816994178 593566914 /nfs/dbraw/zinc/56/69/14/593566914.db2.gz IQGLNUVSMHSUPX-UHFFFAOYSA-N 1 2 332.367 1.563 20 30 EDEDLO N#Cc1cc(S(N)(=O)=O)ccc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000814816717 593603889 /nfs/dbraw/zinc/60/38/89/593603889.db2.gz SEGNYHRRDPCMNX-UHFFFAOYSA-N 1 2 341.396 1.737 20 30 EDEDLO CC#CC[N@@H+](C)CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C ZINC000815284270 593624982 /nfs/dbraw/zinc/62/49/82/593624982.db2.gz YVAFCBAISYSKEV-QGZVFWFLSA-N 1 2 341.411 1.765 20 30 EDEDLO CC#CC[N@H+](C)CC1=C(C(=O)OC)[C@@H](c2ccccc2)NC(=O)N1C ZINC000815284270 593624983 /nfs/dbraw/zinc/62/49/83/593624983.db2.gz YVAFCBAISYSKEV-QGZVFWFLSA-N 1 2 341.411 1.765 20 30 EDEDLO C#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000817833691 593638884 /nfs/dbraw/zinc/63/88/84/593638884.db2.gz NNBMMFVWDGHRSM-QGZVFWFLSA-N 1 2 348.406 1.074 20 30 EDEDLO C=CCCn1cc(C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)nn1 ZINC000819316067 593750450 /nfs/dbraw/zinc/75/04/50/593750450.db2.gz MOHWTGWWJFQUBM-GFCCVEGCSA-N 1 2 334.449 1.103 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(CN2CCOC2=O)c1 ZINC000819414145 593753840 /nfs/dbraw/zinc/75/38/40/593753840.db2.gz YDANNHLCFJZKBV-INIZCTEOSA-N 1 2 332.404 1.257 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(CN2CCOC2=O)c1 ZINC000819414145 593753841 /nfs/dbraw/zinc/75/38/41/593753841.db2.gz YDANNHLCFJZKBV-INIZCTEOSA-N 1 2 332.404 1.257 20 30 EDEDLO CC(=O)N1CCN(c2ccc(CNc3cc(C)[nH+]cc3C#N)cc2)CC1 ZINC000819928994 593777625 /nfs/dbraw/zinc/77/76/25/593777625.db2.gz YQVVIDJQVOHZTE-UHFFFAOYSA-N 1 2 349.438 1.964 20 30 EDEDLO C#CCN(CC)C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000823896173 593882223 /nfs/dbraw/zinc/88/22/23/593882223.db2.gz RLMDBZVFNVDSKK-GOSISDBHSA-N 1 2 328.460 1.467 20 30 EDEDLO C#CCN(CC)C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000823896173 593882224 /nfs/dbraw/zinc/88/22/24/593882224.db2.gz RLMDBZVFNVDSKK-GOSISDBHSA-N 1 2 328.460 1.467 20 30 EDEDLO CC(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823953884 593893588 /nfs/dbraw/zinc/89/35/88/593893588.db2.gz UETCEKFPGARCSE-OKILXGFUSA-N 1 2 342.382 1.590 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1 ZINC000822531957 594063191 /nfs/dbraw/zinc/06/31/91/594063191.db2.gz WKFIEMLLTGSPNR-HUUCEWRRSA-N 1 2 327.388 1.018 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000822531957 594063193 /nfs/dbraw/zinc/06/31/93/594063193.db2.gz WKFIEMLLTGSPNR-HUUCEWRRSA-N 1 2 327.388 1.018 20 30 EDEDLO C[C@@]1(C#N)CCC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000824780026 594073639 /nfs/dbraw/zinc/07/36/39/594073639.db2.gz ZZRBXDHDQOPDNL-HNNXBMFYSA-N 1 2 345.432 1.882 20 30 EDEDLO C[C@@]1(C#N)CCC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000824780026 594073640 /nfs/dbraw/zinc/07/36/40/594073640.db2.gz ZZRBXDHDQOPDNL-HNNXBMFYSA-N 1 2 345.432 1.882 20 30 EDEDLO N#CC[C@@]1(O)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000825973821 594294867 /nfs/dbraw/zinc/29/48/67/594294867.db2.gz RHXNMFXKUNURGQ-QGZVFWFLSA-N 1 2 325.372 1.432 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2c(C)cccc2Cl)CC1 ZINC000828524998 594445606 /nfs/dbraw/zinc/44/56/06/594445606.db2.gz UZJIEEXTXJDODF-UHFFFAOYSA-N 1 2 341.864 1.234 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000831687653 594692755 /nfs/dbraw/zinc/69/27/55/594692755.db2.gz UZBWTQNRIBAMPQ-SOUVJXGZSA-N 1 2 335.448 1.943 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCn3cc[nH+]c32)c1 ZINC000833304695 594823777 /nfs/dbraw/zinc/82/37/77/594823777.db2.gz HFDNWYQLBFYRMN-AWEZNQCLSA-N 1 2 346.412 1.222 20 30 EDEDLO CCCCc1noc([C@H](C)ON=C(N)C[NH+]2CCSCC2)n1 ZINC000121450319 594983062 /nfs/dbraw/zinc/98/30/62/594983062.db2.gz NMHIAOAJYKOXEO-NSHDSACASA-N 1 2 327.454 1.811 20 30 EDEDLO C#CCO[C@H](C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000837016803 595024437 /nfs/dbraw/zinc/02/44/37/595024437.db2.gz FTGHIFNGKKFWAB-SECBINFHSA-N 1 2 326.194 1.887 20 30 EDEDLO C#CC[C@H]1NC(=O)N([C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1=O ZINC000842236255 595048677 /nfs/dbraw/zinc/04/86/77/595048677.db2.gz QUKGOVSXXFVENE-IAGOWNOFSA-N 1 2 341.411 1.312 20 30 EDEDLO C[C@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CO1 ZINC000843266421 595058212 /nfs/dbraw/zinc/05/82/12/595058212.db2.gz LWHBXHGRMJVSLO-NWDGAFQWSA-N 1 2 326.400 1.824 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)[NH2+]CC)cc2[nH]c1=S ZINC000834691862 595192442 /nfs/dbraw/zinc/19/24/42/595192442.db2.gz SPTOQAWKGYWNSJ-LLVKDONJSA-N 1 2 346.456 1.599 20 30 EDEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844530849 595355753 /nfs/dbraw/zinc/35/57/53/595355753.db2.gz JIKQKJSSILTMRA-AWEZNQCLSA-N 1 2 335.320 1.385 20 30 EDEDLO C[C@@H](CNC(=O)c1ccc(C#N)c(Cl)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847177802 595371408 /nfs/dbraw/zinc/37/14/08/595371408.db2.gz KYMFKOHHMCGESU-SDDRHHMPSA-N 1 2 336.823 1.834 20 30 EDEDLO C[C@@H](CNC(=O)c1ccc(C#N)c(Cl)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847177802 595371411 /nfs/dbraw/zinc/37/14/11/595371411.db2.gz KYMFKOHHMCGESU-SDDRHHMPSA-N 1 2 336.823 1.834 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)NC2(c3ccc(C#N)cc3)CCC2)CCO1 ZINC000847306596 595391848 /nfs/dbraw/zinc/39/18/48/595391848.db2.gz SQLXXBVGVZAJQS-OAHLLOKOSA-N 1 2 342.443 1.957 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NC2(c3ccc(C#N)cc3)CCC2)CCO1 ZINC000847306596 595391849 /nfs/dbraw/zinc/39/18/49/595391849.db2.gz SQLXXBVGVZAJQS-OAHLLOKOSA-N 1 2 342.443 1.957 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)C1 ZINC000848492593 595395475 /nfs/dbraw/zinc/39/54/75/595395475.db2.gz FSHKCGOUXWRRCU-UGSOOPFHSA-N 1 2 329.375 1.895 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)C1 ZINC000848492593 595395478 /nfs/dbraw/zinc/39/54/78/595395478.db2.gz FSHKCGOUXWRRCU-UGSOOPFHSA-N 1 2 329.375 1.895 20 30 EDEDLO C#CCOc1ccc(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1 ZINC000108521259 595513399 /nfs/dbraw/zinc/51/33/99/595513399.db2.gz QXKBOVKZTKAXNM-GJZGRUSLSA-N 1 2 331.416 1.929 20 30 EDEDLO C#CCC[N@@H+](CCOC)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000852752372 595526967 /nfs/dbraw/zinc/52/69/67/595526967.db2.gz VQBXESPBRHTPHK-UHFFFAOYSA-N 1 2 344.394 1.808 20 30 EDEDLO C#CCC[N@H+](CCOC)Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000852752372 595526969 /nfs/dbraw/zinc/52/69/69/595526969.db2.gz VQBXESPBRHTPHK-UHFFFAOYSA-N 1 2 344.394 1.808 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852759960 595531763 /nfs/dbraw/zinc/53/17/63/595531763.db2.gz ZDOYGKDMYNGYIL-OLZOCXBDSA-N 1 2 347.381 1.576 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852759960 595531765 /nfs/dbraw/zinc/53/17/65/595531765.db2.gz ZDOYGKDMYNGYIL-OLZOCXBDSA-N 1 2 347.381 1.576 20 30 EDEDLO COC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000852768509 595535214 /nfs/dbraw/zinc/53/52/14/595535214.db2.gz VJNQYVVFUPDLFS-NSHDSACASA-N 1 2 348.403 1.916 20 30 EDEDLO CC(C)(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000860017998 595544911 /nfs/dbraw/zinc/54/49/11/595544911.db2.gz KFMNDQGMQAKPPK-QGZVFWFLSA-N 1 2 327.428 1.769 20 30 EDEDLO COc1ccc(-c2nc(CNC(=O)C#CC3CC[NH2+]CC3)n[nH]2)cc1 ZINC000852835516 595567948 /nfs/dbraw/zinc/56/79/48/595567948.db2.gz IDYMMEVFHYOQNP-UHFFFAOYSA-N 1 2 339.399 1.100 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000112920757 595569208 /nfs/dbraw/zinc/56/92/08/595569208.db2.gz HDWUVDUNEUSMRB-UHFFFAOYSA-N 1 2 328.416 1.608 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)CC1 ZINC000112920504 595569386 /nfs/dbraw/zinc/56/93/86/595569386.db2.gz VMMAJGBDPUHRLK-RHSMWYFYSA-N 1 2 325.412 1.672 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000112920827 595569424 /nfs/dbraw/zinc/56/94/24/595569424.db2.gz WXXMMPWYYASAEN-SFHVURJKSA-N 1 2 339.439 1.459 20 30 EDEDLO CCC(C#N)(CC)C(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000860198317 595611114 /nfs/dbraw/zinc/61/11/14/595611114.db2.gz XIYGNAVQERYRPR-UHFFFAOYSA-N 1 2 347.415 1.797 20 30 EDEDLO C#CCCN(CCOC)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000850724706 595611937 /nfs/dbraw/zinc/61/19/37/595611937.db2.gz MSBFSAUTSDPWJL-UHFFFAOYSA-N 1 2 340.383 1.309 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]C[C@H](O)c2ccccn2)[C@@H](C#N)C1 ZINC000853104867 595666655 /nfs/dbraw/zinc/66/66/55/595666655.db2.gz KZTQNKMDGQUGKF-QEJZJMRPSA-N 1 2 332.404 1.464 20 30 EDEDLO COc1cccc([C@@]2(C)NC(=O)N(N=Cc3c[nH+]c(C)n3C)C2=O)c1 ZINC000853278172 595725841 /nfs/dbraw/zinc/72/58/41/595725841.db2.gz ZEPBAMKFCNMSDY-QGZVFWFLSA-N 1 2 341.371 1.538 20 30 EDEDLO C#CCCCOc1cccnc1N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000853417877 595749165 /nfs/dbraw/zinc/74/91/65/595749165.db2.gz QZDGFOOUBKXGDD-UHFFFAOYSA-N 1 2 330.432 1.260 20 30 EDEDLO C#C[C@H](CCC)NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000858389354 595782268 /nfs/dbraw/zinc/78/22/68/595782268.db2.gz FWQASAMLGLFMAV-SJORKVTESA-N 1 2 330.432 1.384 20 30 EDEDLO C#C[C@H](CCC)NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000858389354 595782270 /nfs/dbraw/zinc/78/22/70/595782270.db2.gz FWQASAMLGLFMAV-SJORKVTESA-N 1 2 330.432 1.384 20 30 EDEDLO NC(=NOCCOC(F)F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000853658993 595849069 /nfs/dbraw/zinc/84/90/69/595849069.db2.gz WXXXWNIJRAIUSV-UHFFFAOYSA-N 1 2 329.347 1.395 20 30 EDEDLO C#Cc1ccccc1CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000856071913 595887556 /nfs/dbraw/zinc/88/75/56/595887556.db2.gz BIABGNFELXDDFV-UHFFFAOYSA-N 1 2 326.440 1.781 20 30 EDEDLO C[C@]1(Br)C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000858944661 595928868 /nfs/dbraw/zinc/92/88/68/595928868.db2.gz QFOKFRYQZPTBRT-JSGCOSHPSA-N 1 2 344.253 1.234 20 30 EDEDLO N#Cc1ccsc1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856609027 596033830 /nfs/dbraw/zinc/03/38/30/596033830.db2.gz YJJCBHLVFPYCBJ-UONOGXRCSA-N 1 2 340.408 1.610 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000859557656 596131288 /nfs/dbraw/zinc/13/12/88/596131288.db2.gz VIQIZFYWZOIHHK-UHFFFAOYSA-N 1 2 348.330 1.805 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000852351735 596134037 /nfs/dbraw/zinc/13/40/37/596134037.db2.gz SXXTWCJCQNBTGG-DLBZAZTESA-N 1 2 331.391 1.616 20 30 EDEDLO N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000852360243 596136125 /nfs/dbraw/zinc/13/61/25/596136125.db2.gz CWNKUXNQFSBDTA-GFCCVEGCSA-N 1 2 342.428 1.793 20 30 EDEDLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCCN(O)C1=O ZINC000854648960 596149473 /nfs/dbraw/zinc/14/94/73/596149473.db2.gz NLQFMRANMYTNJA-KGLIPLIRSA-N 1 2 328.372 1.428 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2COCCO2)cc1C ZINC000852495587 596181892 /nfs/dbraw/zinc/18/18/92/596181892.db2.gz KVSHZLPHCYACBP-GOSISDBHSA-N 1 2 345.443 1.897 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2COCCO2)cc1C ZINC000852495587 596181894 /nfs/dbraw/zinc/18/18/94/596181894.db2.gz KVSHZLPHCYACBP-GOSISDBHSA-N 1 2 345.443 1.897 20 30 EDEDLO CO[C@H]1C[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)Cc3ccc[nH+]c3N2C1 ZINC000870539170 596276637 /nfs/dbraw/zinc/27/66/37/596276637.db2.gz XSEPVLATMIETHX-CABCVRRESA-N 1 2 337.383 1.531 20 30 EDEDLO Cc1c(F)nccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000862251350 596288435 /nfs/dbraw/zinc/28/84/35/596288435.db2.gz BDZVTJJZRBYGMJ-GFCCVEGCSA-N 1 2 326.379 1.902 20 30 EDEDLO Cc1c(F)nccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000862251350 596288438 /nfs/dbraw/zinc/28/84/38/596288438.db2.gz BDZVTJJZRBYGMJ-GFCCVEGCSA-N 1 2 326.379 1.902 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2sccc2CC#N)CC1 ZINC000864840813 596382397 /nfs/dbraw/zinc/38/23/97/596382397.db2.gz XOFALMIEHROSFZ-UHFFFAOYSA-N 1 2 334.445 1.098 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2sccc2CC#N)CC1 ZINC000864840813 596382400 /nfs/dbraw/zinc/38/24/00/596382400.db2.gz XOFALMIEHROSFZ-UHFFFAOYSA-N 1 2 334.445 1.098 20 30 EDEDLO CCCn1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 ZINC000865523810 596600316 /nfs/dbraw/zinc/60/03/16/596600316.db2.gz FUYGWNMYRFLXEK-KRWDZBQOSA-N 1 2 338.415 1.845 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)nc1 ZINC000863499110 596600784 /nfs/dbraw/zinc/60/07/84/596600784.db2.gz WZGAQMYTEMDMAY-KRWDZBQOSA-N 1 2 336.395 1.089 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)nc1 ZINC000863499110 596600787 /nfs/dbraw/zinc/60/07/87/596600787.db2.gz WZGAQMYTEMDMAY-KRWDZBQOSA-N 1 2 336.395 1.089 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871543528 596622463 /nfs/dbraw/zinc/62/24/63/596622463.db2.gz NZJIJQIXTSMMBY-CABCVRRESA-N 1 2 338.448 1.500 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1nc([C@H]2CCCO2)n[nH]1 ZINC000865616829 596628138 /nfs/dbraw/zinc/62/81/38/596628138.db2.gz JYJAYHXVSIOBGW-OAHLLOKOSA-N 1 2 326.404 1.884 20 30 EDEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000865872774 596707104 /nfs/dbraw/zinc/70/71/04/596707104.db2.gz UZGWPCOUYMCGQO-DANOYGIBSA-N 1 2 343.427 1.872 20 30 EDEDLO C#CCCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000868323165 596787678 /nfs/dbraw/zinc/78/76/78/596787678.db2.gz AKGYODWZQUUXSU-GOSISDBHSA-N 1 2 329.444 1.908 20 30 EDEDLO C#CCCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000868323165 596787681 /nfs/dbraw/zinc/78/76/81/596787681.db2.gz AKGYODWZQUUXSU-GOSISDBHSA-N 1 2 329.444 1.908 20 30 EDEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCCCC#N)C2)cc1 ZINC000868491414 596860068 /nfs/dbraw/zinc/86/00/68/596860068.db2.gz FIFUFSKSUJYNIW-QGZVFWFLSA-N 1 2 330.432 1.799 20 30 EDEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCCCC#N)C2)cc1 ZINC000868491414 596860071 /nfs/dbraw/zinc/86/00/71/596860071.db2.gz FIFUFSKSUJYNIW-QGZVFWFLSA-N 1 2 330.432 1.799 20 30 EDEDLO C=CCc1ccc(OS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)c(OC)c1 ZINC000866408862 596878612 /nfs/dbraw/zinc/87/86/12/596878612.db2.gz QAPASBJVFBBFQU-AWEZNQCLSA-N 1 2 341.429 1.463 20 30 EDEDLO C=CCc1ccc(OS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)c(OC)c1 ZINC000866408862 596878613 /nfs/dbraw/zinc/87/86/13/596878613.db2.gz QAPASBJVFBBFQU-AWEZNQCLSA-N 1 2 341.429 1.463 20 30 EDEDLO Cn1cc(N2CC[C@@H](CN=Nc3ccc(-n4cc[nH+]c4)nn3)C2)cn1 ZINC000872370110 596895923 /nfs/dbraw/zinc/89/59/23/596895923.db2.gz SRDQLYQKHGBDBY-ZDUSSCGKSA-N 1 2 337.391 1.320 20 30 EDEDLO C#C[C@H](CC)NC(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@@H]2C1 ZINC000875593399 596909499 /nfs/dbraw/zinc/90/94/99/596909499.db2.gz CLZSUQOJMXVRHO-OAGGEKHMSA-N 1 2 328.416 1.612 20 30 EDEDLO C#CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000874146863 596941254 /nfs/dbraw/zinc/94/12/54/596941254.db2.gz CLCOAFCKDCVUPD-GJZGRUSLSA-N 1 2 337.445 1.119 20 30 EDEDLO C=C(C)CONC(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@@H]2C1 ZINC000875697676 596951178 /nfs/dbraw/zinc/95/11/78/596951178.db2.gz MFAJIORDCWZXSR-HUUCEWRRSA-N 1 2 332.404 1.708 20 30 EDEDLO N#CCCN1CC[NH+](CN2CC[C@H](Cc3ccccc3)C2=O)CC1 ZINC000872734071 597050927 /nfs/dbraw/zinc/05/09/27/597050927.db2.gz WJWBKDGKGQWFHS-GOSISDBHSA-N 1 2 326.444 1.566 20 30 EDEDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876513263 597225955 /nfs/dbraw/zinc/22/59/55/597225955.db2.gz JNKHMZBYITYIRD-LLVKDONJSA-N 1 2 342.852 1.368 20 30 EDEDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876513263 597225958 /nfs/dbraw/zinc/22/59/58/597225958.db2.gz JNKHMZBYITYIRD-LLVKDONJSA-N 1 2 342.852 1.368 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000873287477 597248684 /nfs/dbraw/zinc/24/86/84/597248684.db2.gz YXKMGFSWBNYEIU-BFYDXBDKSA-N 1 2 346.475 1.173 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000876682828 597286344 /nfs/dbraw/zinc/28/63/44/597286344.db2.gz OVWIDDSILWEDKL-UHFFFAOYSA-N 1 2 338.459 1.676 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000873727761 597366591 /nfs/dbraw/zinc/36/65/91/597366591.db2.gz MIEIOAZMWPUQDW-UHFFFAOYSA-N 1 2 333.436 1.472 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000873727761 597366595 /nfs/dbraw/zinc/36/65/95/597366595.db2.gz MIEIOAZMWPUQDW-UHFFFAOYSA-N 1 2 333.436 1.472 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)C1 ZINC000873940079 597460504 /nfs/dbraw/zinc/46/05/04/597460504.db2.gz LTOTUZMZZGARGE-ZDUSSCGKSA-N 1 2 331.420 1.082 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)C1 ZINC000873940079 597460506 /nfs/dbraw/zinc/46/05/06/597460506.db2.gz LTOTUZMZZGARGE-ZDUSSCGKSA-N 1 2 331.420 1.082 20 30 EDEDLO C=CCC1(NC(=O)C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)CCCC1 ZINC000873943364 597463042 /nfs/dbraw/zinc/46/30/42/597463042.db2.gz FCXDLPJZYWQSIX-UHFFFAOYSA-N 1 2 331.420 1.272 20 30 EDEDLO C=CCC1(NC(=O)C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)CCCC1 ZINC000873943364 597463046 /nfs/dbraw/zinc/46/30/46/597463046.db2.gz FCXDLPJZYWQSIX-UHFFFAOYSA-N 1 2 331.420 1.272 20 30 EDEDLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877481497 597523090 /nfs/dbraw/zinc/52/30/90/597523090.db2.gz JBWAKVVENZHKTM-UKRRQHHQSA-N 1 2 339.823 1.452 20 30 EDEDLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877481497 597523092 /nfs/dbraw/zinc/52/30/92/597523092.db2.gz JBWAKVVENZHKTM-UKRRQHHQSA-N 1 2 339.823 1.452 20 30 EDEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584694 597644325 /nfs/dbraw/zinc/64/43/25/597644325.db2.gz GKGJIFPPHTXTAC-CQSZACIVSA-N 1 2 343.431 1.303 20 30 EDEDLO COC(=O)c1ccc(OC)c(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000878771827 597707066 /nfs/dbraw/zinc/70/70/66/597707066.db2.gz WXUVZWLBRCNQLM-KBPBESRZSA-N 1 2 331.416 1.900 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CC[C@@H](C(F)(F)F)O1 ZINC000880059576 597826224 /nfs/dbraw/zinc/82/62/24/597826224.db2.gz JHLLXCGRZQVRPZ-STQMWFEESA-N 1 2 346.353 1.684 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC[C@@H](C(F)(F)F)O1 ZINC000880059576 597826225 /nfs/dbraw/zinc/82/62/25/597826225.db2.gz JHLLXCGRZQVRPZ-STQMWFEESA-N 1 2 346.353 1.684 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879229359 597858339 /nfs/dbraw/zinc/85/83/39/597858339.db2.gz VTMNFWZNYRYMMC-IBGZPJMESA-N 1 2 342.443 1.127 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879229359 597858340 /nfs/dbraw/zinc/85/83/40/597858340.db2.gz VTMNFWZNYRYMMC-IBGZPJMESA-N 1 2 342.443 1.127 20 30 EDEDLO COc1cc2c(cc1OC)C(C)(C)[N@H+](CC(=O)NCCC#N)CC2 ZINC000880388897 597920804 /nfs/dbraw/zinc/92/08/04/597920804.db2.gz BTPKBARWBUAUMV-UHFFFAOYSA-N 1 2 331.416 1.827 20 30 EDEDLO COc1cc2c(cc1OC)C(C)(C)[N@@H+](CC(=O)NCCC#N)CC2 ZINC000880388897 597920807 /nfs/dbraw/zinc/92/08/07/597920807.db2.gz BTPKBARWBUAUMV-UHFFFAOYSA-N 1 2 331.416 1.827 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC000880502840 597950147 /nfs/dbraw/zinc/95/01/47/597950147.db2.gz UYOSCPUVKFYIPB-YLJYHZDGSA-N 1 2 343.471 1.654 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC000880502840 597950148 /nfs/dbraw/zinc/95/01/48/597950148.db2.gz UYOSCPUVKFYIPB-YLJYHZDGSA-N 1 2 343.471 1.654 20 30 EDEDLO N#CCc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000882474855 597969327 /nfs/dbraw/zinc/96/93/27/597969327.db2.gz WIKSRPMEJLWVRZ-QGZVFWFLSA-N 1 2 336.395 1.987 20 30 EDEDLO N#CCc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000882474855 597969329 /nfs/dbraw/zinc/96/93/29/597969329.db2.gz WIKSRPMEJLWVRZ-QGZVFWFLSA-N 1 2 336.395 1.987 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cc(Cl)ccc1OC ZINC000884061578 597983018 /nfs/dbraw/zinc/98/30/18/597983018.db2.gz LXKDDJAWYYFMOI-ZDUSSCGKSA-N 1 2 340.807 1.754 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000884063380 597983535 /nfs/dbraw/zinc/98/35/35/597983535.db2.gz XSPOAWLFCBXQOF-YPMHNXCESA-N 1 2 348.399 1.794 20 30 EDEDLO Cc1nc(C#N)cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1 ZINC000882579515 597997416 /nfs/dbraw/zinc/99/74/16/597997416.db2.gz BLDDKSDDLWVDPM-MSOLQXFVSA-N 1 2 335.411 1.746 20 30 EDEDLO Cc1nc(C#N)cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1 ZINC000882579515 597997418 /nfs/dbraw/zinc/99/74/18/597997418.db2.gz BLDDKSDDLWVDPM-MSOLQXFVSA-N 1 2 335.411 1.746 20 30 EDEDLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000882735210 598037982 /nfs/dbraw/zinc/03/79/82/598037982.db2.gz YNGVXWNTBFQZAU-UHFFFAOYSA-N 1 2 343.493 1.443 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000884312487 598062459 /nfs/dbraw/zinc/06/24/59/598062459.db2.gz GTVOHYXAEXKGDQ-SJORKVTESA-N 1 2 346.427 1.293 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2ccc(C(C)=O)cc2CC1 ZINC000884330449 598070022 /nfs/dbraw/zinc/07/00/22/598070022.db2.gz NTUCRIOVTUOKLW-KRWDZBQOSA-N 1 2 344.411 1.263 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000884418933 598099437 /nfs/dbraw/zinc/09/94/37/598099437.db2.gz APAIJLBINROXQA-AXFHLTTASA-N 1 2 338.326 1.001 20 30 EDEDLO COC1CC[NH+](Cc2cn(C[C@H](O)c3ccc(C#N)cc3)nn2)CC1 ZINC000881405369 598139902 /nfs/dbraw/zinc/13/99/02/598139902.db2.gz DCRSKCJFVTUUDG-SFHVURJKSA-N 1 2 341.415 1.494 20 30 EDEDLO C=C(C)C(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060464044 695244668 /nfs/dbraw/zinc/24/46/68/695244668.db2.gz NESCGVXNNDMCSV-CQSZACIVSA-N 1 2 332.448 1.909 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000914398042 695386151 /nfs/dbraw/zinc/38/61/51/695386151.db2.gz VWIWYCWXOLJSPU-HNNXBMFYSA-N 1 2 344.440 1.806 20 30 EDEDLO C[C@H]1C[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CCN1CC#N ZINC000948061041 695777259 /nfs/dbraw/zinc/77/72/59/695777259.db2.gz NXTANCLITGTHPE-DZGCQCFKSA-N 1 2 332.473 1.599 20 30 EDEDLO C[C@H]1C[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)CCN1CC#N ZINC000948061041 695777261 /nfs/dbraw/zinc/77/72/61/695777261.db2.gz NXTANCLITGTHPE-DZGCQCFKSA-N 1 2 332.473 1.599 20 30 EDEDLO C=CCn1cccc1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(C)=O)C1 ZINC000993613292 696259572 /nfs/dbraw/zinc/25/95/72/696259572.db2.gz XTODXUMZBPUHCR-HUUCEWRRSA-N 1 2 341.415 1.152 20 30 EDEDLO CCCCNC(=O)CON=C(N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181849120 700102346 /nfs/dbraw/zinc/10/23/46/700102346.db2.gz KCLBDQCFXMOELC-INIZCTEOSA-N 1 2 348.447 1.093 20 30 EDEDLO CCCCNC(=O)CON=C(N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181849120 700102347 /nfs/dbraw/zinc/10/23/47/700102347.db2.gz KCLBDQCFXMOELC-INIZCTEOSA-N 1 2 348.447 1.093 20 30 EDEDLO COC(=O)[C@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031578012 697274389 /nfs/dbraw/zinc/27/43/89/697274389.db2.gz GEPJGCNRLUFWQC-CABCVRRESA-N 1 2 345.374 1.054 20 30 EDEDLO Cn1ccc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001031608379 697313532 /nfs/dbraw/zinc/31/35/32/697313532.db2.gz FNJAQYFZRSIODK-UHFFFAOYSA-N 1 2 326.375 1.898 20 30 EDEDLO Cn1cnc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001031613065 697327389 /nfs/dbraw/zinc/32/73/89/697327389.db2.gz FBEWVQKHZAMJNY-UHFFFAOYSA-N 1 2 327.363 1.293 20 30 EDEDLO COc1ccnc(C[NH+]2CC(CNC(=O)c3ccc(C#N)[nH]3)C2)c1 ZINC001031619338 697336490 /nfs/dbraw/zinc/33/64/90/697336490.db2.gz UGRNFKRYHTURKI-UHFFFAOYSA-N 1 2 325.372 1.152 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc3ccncc32)C1 ZINC000919875392 697357226 /nfs/dbraw/zinc/35/72/26/697357226.db2.gz STRISNUYXJWRCO-OAHLLOKOSA-N 1 2 329.425 1.611 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc3ccncc32)C1 ZINC000919875392 697357227 /nfs/dbraw/zinc/35/72/27/697357227.db2.gz STRISNUYXJWRCO-OAHLLOKOSA-N 1 2 329.425 1.611 20 30 EDEDLO COc1cc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)on1 ZINC001031625372 697359905 /nfs/dbraw/zinc/35/99/05/697359905.db2.gz MSEFPCKBBIIRMK-UHFFFAOYSA-N 1 2 344.346 1.556 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](CC(=O)N2CCCCC2)C1 ZINC001031678169 697492751 /nfs/dbraw/zinc/49/27/51/697492751.db2.gz CECQLPWPBGLFRW-SJORKVTESA-N 1 2 349.475 1.028 20 30 EDEDLO C[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000921414588 697598310 /nfs/dbraw/zinc/59/83/10/697598310.db2.gz RCMJQVRICADPMT-JTQLQIEISA-N 1 2 333.335 1.559 20 30 EDEDLO C[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000921414588 697598312 /nfs/dbraw/zinc/59/83/12/697598312.db2.gz RCMJQVRICADPMT-JTQLQIEISA-N 1 2 333.335 1.559 20 30 EDEDLO C=CCn1cccc1C(=O)NCC1C[NH+](Cc2ccc(OC)nn2)C1 ZINC001031731164 698102200 /nfs/dbraw/zinc/10/22/00/698102200.db2.gz MDMIIABYUDLJPA-UHFFFAOYSA-N 1 2 341.415 1.335 20 30 EDEDLO C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001032078444 698215488 /nfs/dbraw/zinc/21/54/88/698215488.db2.gz MCAJLXNVQHHJOL-KBXCAEBGSA-N 1 2 330.403 1.650 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000938697938 698519600 /nfs/dbraw/zinc/51/96/00/698519600.db2.gz DFARDPAXOPBKBT-GJZGRUSLSA-N 1 2 342.443 1.519 20 30 EDEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000938780538 698683518 /nfs/dbraw/zinc/68/35/18/698683518.db2.gz YGWBNOIUHYHSJR-MRXNPFEDSA-N 1 2 330.432 1.689 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943703359 698743946 /nfs/dbraw/zinc/74/39/46/698743946.db2.gz XJWMTAGHSIIXTQ-GWCFXTLKSA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943703359 698743950 /nfs/dbraw/zinc/74/39/50/698743950.db2.gz XJWMTAGHSIIXTQ-GWCFXTLKSA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)c1nc[nH]n1 ZINC000943703359 698743952 /nfs/dbraw/zinc/74/39/52/698743952.db2.gz XJWMTAGHSIIXTQ-GWCFXTLKSA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)c1nc[nH]n1 ZINC000943703359 698743955 /nfs/dbraw/zinc/74/39/55/698743955.db2.gz XJWMTAGHSIIXTQ-GWCFXTLKSA-N 1 2 330.417 1.378 20 30 EDEDLO C=CCOc1cccnc1C(=O)NCC1C[NH+](Cc2ccns2)C1 ZINC001032114702 698961777 /nfs/dbraw/zinc/96/17/77/698961777.db2.gz KIFAOZWHERBYSP-UHFFFAOYSA-N 1 2 344.440 1.965 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000939006070 699053165 /nfs/dbraw/zinc/05/31/65/699053165.db2.gz BNAMNKSUHSOHHM-HNNXBMFYSA-N 1 2 345.443 1.904 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(F)ccc(F)c3F)CC2)C1 ZINC000941539330 701570048 /nfs/dbraw/zinc/57/00/48/701570048.db2.gz XYYVHHAYUAMXBL-UHFFFAOYSA-N 1 2 337.345 1.179 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3c(C)noc3C)CC2)C1 ZINC000941529141 701571982 /nfs/dbraw/zinc/57/19/82/701571982.db2.gz KYMRTSPGMKGRCE-UHFFFAOYSA-N 1 2 344.459 1.031 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)c(OCC)c3)CC2)C1 ZINC000941592925 701586372 /nfs/dbraw/zinc/58/63/72/701586372.db2.gz LQZWNHPGLPERCY-UHFFFAOYSA-N 1 2 341.455 1.469 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N(C)[C@H]3CCN(C(=O)[C@H](C)C#N)C3)ccn12 ZINC000939397013 699546798 /nfs/dbraw/zinc/54/67/98/699546798.db2.gz MGZKIVPHYWUYEI-DOMZBBRYSA-N 1 2 339.399 1.475 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)C1 ZINC000941648870 701610848 /nfs/dbraw/zinc/61/08/48/701610848.db2.gz DVKKQBCFEHFXFI-UHFFFAOYSA-N 1 2 348.450 1.700 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4[nH]ccc4s3)CC2)C1 ZINC000941653469 701612444 /nfs/dbraw/zinc/61/24/44/701612444.db2.gz VWPULCRNYDBHDN-UHFFFAOYSA-N 1 2 328.441 1.305 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3cccc(F)c3F)CC2)C1 ZINC000941687479 701632874 /nfs/dbraw/zinc/63/28/74/701632874.db2.gz TYSOHBDCTQEDDS-UHFFFAOYSA-N 1 2 347.409 1.359 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3c(C)nnn3CC)C2)cc1 ZINC001031892503 700687598 /nfs/dbraw/zinc/68/75/98/700687598.db2.gz GPOAJNWQBHTZER-UHFFFAOYSA-N 1 2 337.427 1.450 20 30 EDEDLO Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)n1 ZINC000940685594 700844918 /nfs/dbraw/zinc/84/49/18/700844918.db2.gz DEQSHPVNDXTYCX-CQSZACIVSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1noc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C(C)(C)C2)n1 ZINC000940685594 700844920 /nfs/dbraw/zinc/84/49/20/700844920.db2.gz DEQSHPVNDXTYCX-CQSZACIVSA-N 1 2 342.403 1.608 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000940900189 700975359 /nfs/dbraw/zinc/97/53/59/700975359.db2.gz AXFSRWXTPIZWLM-CQSZACIVSA-N 1 2 344.459 1.691 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC000941046778 701081538 /nfs/dbraw/zinc/08/15/38/701081538.db2.gz LPQPZCZUOMOMMB-QLFBSQMISA-N 1 2 334.420 1.377 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC000941046778 701081539 /nfs/dbraw/zinc/08/15/39/701081539.db2.gz LPQPZCZUOMOMMB-QLFBSQMISA-N 1 2 334.420 1.377 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000946002204 701354298 /nfs/dbraw/zinc/35/42/98/701354298.db2.gz QXLTXDBSXYMDEH-KBPBESRZSA-N 1 2 330.432 1.614 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC000946004097 701355139 /nfs/dbraw/zinc/35/51/39/701355139.db2.gz XXJPJGOLLYYLFR-HOCLYGCPSA-N 1 2 344.459 1.624 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000941183077 701388691 /nfs/dbraw/zinc/38/86/91/701388691.db2.gz BRLGQNBIWYWDHC-AWEZNQCLSA-N 1 2 332.448 1.861 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000941183077 701388692 /nfs/dbraw/zinc/38/86/92/701388692.db2.gz BRLGQNBIWYWDHC-AWEZNQCLSA-N 1 2 332.448 1.861 20 30 EDEDLO C/C=C(\C)C(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941367742 701493486 /nfs/dbraw/zinc/49/34/86/701493486.db2.gz IRQHDUFZECJYQG-HQYXKAPLSA-N 1 2 338.455 1.853 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc([C@@H]4C[C@@H]4C)o3)CC2)C1 ZINC000941404968 701519305 /nfs/dbraw/zinc/51/93/05/701519305.db2.gz WMVNDPGBHQDDKO-DOTOQJQBSA-N 1 2 341.455 1.868 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC(F)(F)C3)CC2)C1 ZINC000941432811 701538792 /nfs/dbraw/zinc/53/87/92/701538792.db2.gz HRJWERCWOQIGSV-CQSZACIVSA-N 1 2 325.403 1.274 20 30 EDEDLO C=C1CCC(C(=O)NCC2C[NH+](CC(=O)N3CCO[C@H](C)C3)C2)CC1 ZINC001031952020 701542942 /nfs/dbraw/zinc/54/29/42/701542942.db2.gz VAGDWHIZTJIURF-OAHLLOKOSA-N 1 2 349.475 1.028 20 30 EDEDLO Cc1nn(C)c(F)c1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001032156918 701960986 /nfs/dbraw/zinc/96/09/86/701960986.db2.gz NLDGIPMKIOWKNS-UHFFFAOYSA-N 1 2 347.419 1.663 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N([C@H](C)CCC)C2)C1 ZINC001032205052 702043421 /nfs/dbraw/zinc/04/34/21/702043421.db2.gz NCWSZRXGRFOEPS-HIFRSBDPSA-N 1 2 341.883 1.824 20 30 EDEDLO CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)o1 ZINC000995779537 702069430 /nfs/dbraw/zinc/06/94/30/702069430.db2.gz UIOQJTZVCVBXFU-AWEZNQCLSA-N 1 2 330.432 1.933 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC001032178292 702101708 /nfs/dbraw/zinc/10/17/08/702101708.db2.gz CEVSHQZNSRSZNO-AWEZNQCLSA-N 1 2 339.867 1.578 20 30 EDEDLO Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1 ZINC000941967107 702227459 /nfs/dbraw/zinc/22/74/59/702227459.db2.gz QLFQTGCEBCLZHK-ZWNOBZJWSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H](C)C1 ZINC000941967107 702227464 /nfs/dbraw/zinc/22/74/64/702227464.db2.gz QLFQTGCEBCLZHK-ZWNOBZJWSA-N 1 2 328.376 1.218 20 30 EDEDLO CCn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)nn1 ZINC000941966364 702262415 /nfs/dbraw/zinc/26/24/15/702262415.db2.gz JCKFSHZGCFEPHQ-SWLSCSKDSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)nn1 ZINC000941966364 702262417 /nfs/dbraw/zinc/26/24/17/702262417.db2.gz JCKFSHZGCFEPHQ-SWLSCSKDSA-N 1 2 341.419 1.138 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)C[C@@H]2C)nc1 ZINC000944192429 702484499 /nfs/dbraw/zinc/48/44/99/702484499.db2.gz LPBPOKUIVRKTHL-GOEBONIOSA-N 1 2 335.411 1.493 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)C[C@@H]2C)nc1 ZINC000944192429 702484503 /nfs/dbraw/zinc/48/45/03/702484503.db2.gz LPBPOKUIVRKTHL-GOEBONIOSA-N 1 2 335.411 1.493 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nonc3C)C[C@H]2C)nc1 ZINC000944192983 702486469 /nfs/dbraw/zinc/48/64/69/702486469.db2.gz PRIAZBDYWIBRJO-DOMZBBRYSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nonc3C)C[C@H]2C)nc1 ZINC000944192983 702486472 /nfs/dbraw/zinc/48/64/72/702486472.db2.gz PRIAZBDYWIBRJO-DOMZBBRYSA-N 1 2 339.399 1.395 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)OC)cc1C#N ZINC001032299085 702817112 /nfs/dbraw/zinc/81/71/12/702817112.db2.gz BYZSJTSJPPWRBV-RCBQFDQVSA-N 1 2 329.400 1.387 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)OC)cc1C#N ZINC001032299085 702817113 /nfs/dbraw/zinc/81/71/13/702817113.db2.gz BYZSJTSJPPWRBV-RCBQFDQVSA-N 1 2 329.400 1.387 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncnn3C)C[C@H]2C)cc1 ZINC000942553934 703066191 /nfs/dbraw/zinc/06/61/91/703066191.db2.gz WBOVHHVDQKIJNL-RHSMWYFYSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncnn3C)C[C@H]2C)cc1 ZINC000942553934 703066194 /nfs/dbraw/zinc/06/61/94/703066194.db2.gz WBOVHHVDQKIJNL-RHSMWYFYSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)cn3)C[C@H]2C)c1 ZINC000942614334 703129214 /nfs/dbraw/zinc/12/92/14/703129214.db2.gz CYNNHWKQCIVLEJ-QAPCUYQASA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)cn3)C[C@H]2C)c1 ZINC000942614334 703129216 /nfs/dbraw/zinc/12/92/16/703129216.db2.gz CYNNHWKQCIVLEJ-QAPCUYQASA-N 1 2 349.438 1.802 20 30 EDEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2c(c1)OCCO2 ZINC001032397243 703408526 /nfs/dbraw/zinc/40/85/26/703408526.db2.gz QHWUALLFBGYQSH-IRXDYDNUSA-N 1 2 338.407 1.656 20 30 EDEDLO O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2c(c1)OCCO2 ZINC001032397243 703408527 /nfs/dbraw/zinc/40/85/27/703408527.db2.gz QHWUALLFBGYQSH-IRXDYDNUSA-N 1 2 338.407 1.656 20 30 EDEDLO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1)c1ccnn1C ZINC001032409373 703438917 /nfs/dbraw/zinc/43/89/17/703438917.db2.gz MHAUDMVFBDQNLA-WDSOQIARSA-N 1 2 348.450 1.860 20 30 EDEDLO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1)c1ccnn1C ZINC001032409373 703438919 /nfs/dbraw/zinc/43/89/19/703438919.db2.gz MHAUDMVFBDQNLA-WDSOQIARSA-N 1 2 348.450 1.860 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000921589544 703630680 /nfs/dbraw/zinc/63/06/80/703630680.db2.gz MSLLRFSVKWYMLE-FUHWJXTLSA-N 1 2 340.427 1.925 20 30 EDEDLO CC(C)Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999129451 706531290 /nfs/dbraw/zinc/53/12/90/706531290.db2.gz QHQWMKDLDZQNFQ-OAHLLOKOSA-N 1 2 330.432 1.762 20 30 EDEDLO CN(C(=O)Cc1ncn[nH]1)C1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC000999661278 707187191 /nfs/dbraw/zinc/18/71/91/707187191.db2.gz SHABQOXWLWVHOK-UHFFFAOYSA-N 1 2 342.378 1.137 20 30 EDEDLO C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC001033264319 707285157 /nfs/dbraw/zinc/28/51/57/707285157.db2.gz ACKKOAVLBOXNBP-NSHDSACASA-N 1 2 328.338 1.907 20 30 EDEDLO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC001033264319 707285159 /nfs/dbraw/zinc/28/51/59/707285159.db2.gz ACKKOAVLBOXNBP-NSHDSACASA-N 1 2 328.338 1.907 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001033216046 707716520 /nfs/dbraw/zinc/71/65/20/707716520.db2.gz HLKXMVZXQBHLMB-OAHLLOKOSA-N 1 2 343.818 1.656 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001033216046 707716524 /nfs/dbraw/zinc/71/65/24/707716524.db2.gz HLKXMVZXQBHLMB-OAHLLOKOSA-N 1 2 343.818 1.656 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCC(C(N)=O)CC2)C1 ZINC001033220593 707788199 /nfs/dbraw/zinc/78/81/99/707788199.db2.gz PAJQNAXIRDFUPJ-JXQTWKCFSA-N 1 2 327.856 1.563 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC(C(N)=O)CC2)C1 ZINC001033220593 707788202 /nfs/dbraw/zinc/78/82/02/707788202.db2.gz PAJQNAXIRDFUPJ-JXQTWKCFSA-N 1 2 327.856 1.563 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001033436366 707900743 /nfs/dbraw/zinc/90/07/43/707900743.db2.gz XWGFFKZMJZAEDX-NSHDSACASA-N 1 2 325.796 1.695 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001033436366 707900745 /nfs/dbraw/zinc/90/07/45/707900745.db2.gz XWGFFKZMJZAEDX-NSHDSACASA-N 1 2 325.796 1.695 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033497404 707993049 /nfs/dbraw/zinc/99/30/49/707993049.db2.gz NQWITFHACXYWJS-IKGGRYGDSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033497404 707993052 /nfs/dbraw/zinc/99/30/52/707993052.db2.gz NQWITFHACXYWJS-IKGGRYGDSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001033509806 708101049 /nfs/dbraw/zinc/10/10/49/708101049.db2.gz GWPFBMHOGPQCRK-ZDUSSCGKSA-N 1 2 339.823 1.815 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CNC(C)=O)o2)C1 ZINC001033509806 708101052 /nfs/dbraw/zinc/10/10/52/708101052.db2.gz GWPFBMHOGPQCRK-ZDUSSCGKSA-N 1 2 339.823 1.815 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnc3nc(C)nn32)C1 ZINC001033575413 708249277 /nfs/dbraw/zinc/24/92/77/708249277.db2.gz ADXCZIZUXFFARR-LBPRGKRZSA-N 1 2 334.811 1.332 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc3nc(C)nn32)C1 ZINC001033575413 708249280 /nfs/dbraw/zinc/24/92/80/708249280.db2.gz ADXCZIZUXFFARR-LBPRGKRZSA-N 1 2 334.811 1.332 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnnn3CC)C2)nc1 ZINC001033594114 708295434 /nfs/dbraw/zinc/29/54/34/708295434.db2.gz SGGFDOLWJWXMEQ-HNNXBMFYSA-N 1 2 338.415 1.021 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cnnn3CC)C2)nc1 ZINC001033594114 708295437 /nfs/dbraw/zinc/29/54/37/708295437.db2.gz SGGFDOLWJWXMEQ-HNNXBMFYSA-N 1 2 338.415 1.021 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(OC)no3)C2)cn1 ZINC001033603176 708324427 /nfs/dbraw/zinc/32/44/27/708324427.db2.gz JUVFFEIIPSWION-OAHLLOKOSA-N 1 2 340.383 1.406 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(OC)no3)C2)cn1 ZINC001033603176 708324431 /nfs/dbraw/zinc/32/44/31/708324431.db2.gz JUVFFEIIPSWION-OAHLLOKOSA-N 1 2 340.383 1.406 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033708467 708541362 /nfs/dbraw/zinc/54/13/62/708541362.db2.gz BINVBHAADNTLAF-AWEZNQCLSA-N 1 2 343.362 1.735 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033708467 708541363 /nfs/dbraw/zinc/54/13/63/708541363.db2.gz BINVBHAADNTLAF-AWEZNQCLSA-N 1 2 343.362 1.735 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](N(CC)C(=O)C3CC3)C2)c1 ZINC001033718896 708568798 /nfs/dbraw/zinc/56/87/98/708568798.db2.gz NJIGBXZROWBAGS-SFHVURJKSA-N 1 2 339.439 1.939 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](N(CC)C(=O)C3CC3)C2)c1 ZINC001033718896 708568800 /nfs/dbraw/zinc/56/88/00/708568800.db2.gz NJIGBXZROWBAGS-SFHVURJKSA-N 1 2 339.439 1.939 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCO2)C1 ZINC001033736112 708596842 /nfs/dbraw/zinc/59/68/42/708596842.db2.gz YIAKPSCQIXUCDU-STQMWFEESA-N 1 2 331.254 1.997 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCO2)C1 ZINC001033736112 708596845 /nfs/dbraw/zinc/59/68/45/708596845.db2.gz YIAKPSCQIXUCDU-STQMWFEESA-N 1 2 331.254 1.997 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2COCCO2)C1 ZINC001033760084 708639934 /nfs/dbraw/zinc/63/99/34/708639934.db2.gz DBKAURAXJVKYIJ-QWHCGFSZSA-N 1 2 347.253 1.233 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2COCCO2)C1 ZINC001033760084 708639931 /nfs/dbraw/zinc/63/99/31/708639931.db2.gz DBKAURAXJVKYIJ-QWHCGFSZSA-N 1 2 347.253 1.233 20 30 EDEDLO N#Cc1cnc(N[C@H]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001061107128 709132091 /nfs/dbraw/zinc/13/20/91/709132091.db2.gz HJGZUDGYMXOWLB-NWDGAFQWSA-N 1 2 325.376 1.153 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn(CC3CC3)nn2)C1 ZINC001033998829 709211673 /nfs/dbraw/zinc/21/16/73/709211673.db2.gz QCZYOGHPXMUHFM-AWEZNQCLSA-N 1 2 337.855 1.977 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn(CC3CC3)nn2)C1 ZINC001033998829 709211677 /nfs/dbraw/zinc/21/16/77/709211677.db2.gz QCZYOGHPXMUHFM-AWEZNQCLSA-N 1 2 337.855 1.977 20 30 EDEDLO N#Cc1cnc(N[C@@H]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001061135978 709343342 /nfs/dbraw/zinc/34/33/42/709343342.db2.gz JIPXCAQFNUXQQW-VXGBXAGGSA-N 1 2 325.376 1.153 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001034104083 709363828 /nfs/dbraw/zinc/36/38/28/709363828.db2.gz IZRSJRRKKNOBPV-QWHCGFSZSA-N 1 2 347.253 1.281 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001034104083 709363831 /nfs/dbraw/zinc/36/38/31/709363831.db2.gz IZRSJRRKKNOBPV-QWHCGFSZSA-N 1 2 347.253 1.281 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001034198380 709540249 /nfs/dbraw/zinc/54/02/49/709540249.db2.gz SPNIEKIELJHJJO-NSHDSACASA-N 1 2 327.226 1.903 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001034198380 709540252 /nfs/dbraw/zinc/54/02/52/709540252.db2.gz SPNIEKIELJHJJO-NSHDSACASA-N 1 2 327.226 1.903 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nccn3C)C2)cn1 ZINC001034498061 710122026 /nfs/dbraw/zinc/12/20/26/710122026.db2.gz HIVNRAWNMDPZTD-QGZVFWFLSA-N 1 2 337.427 1.581 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](Cc3nccn3C)C2)cn1 ZINC001034498061 710122029 /nfs/dbraw/zinc/12/20/29/710122029.db2.gz HIVNRAWNMDPZTD-QGZVFWFLSA-N 1 2 337.427 1.581 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001034552513 710218869 /nfs/dbraw/zinc/21/88/69/710218869.db2.gz NNURYVGNTBBBTH-ZDUSSCGKSA-N 1 2 336.823 1.517 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001034552513 710218872 /nfs/dbraw/zinc/21/88/72/710218872.db2.gz NNURYVGNTBBBTH-ZDUSSCGKSA-N 1 2 336.823 1.517 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2csnn2)CC1 ZINC001003389673 710309225 /nfs/dbraw/zinc/30/92/25/710309225.db2.gz VIZPVTOBRKWBIJ-UHFFFAOYSA-N 1 2 331.239 1.641 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001003651419 710468871 /nfs/dbraw/zinc/46/88/71/710468871.db2.gz CYSQOSCPSDCTBG-IMJJTQAJSA-N 1 2 330.432 1.709 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)[nH]2)CC1 ZINC001003653346 710470411 /nfs/dbraw/zinc/47/04/11/710470411.db2.gz WTCNCTDMVVGYIM-DFBGVHRSSA-N 1 2 333.436 1.346 20 30 EDEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032894882 710644117 /nfs/dbraw/zinc/64/41/17/710644117.db2.gz YKJULLUXOFFGBT-RDJZCZTQSA-N 1 2 331.391 1.909 20 30 EDEDLO CN(C(=O)[C@@H]1CCCO1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032894882 710644119 /nfs/dbraw/zinc/64/41/19/710644119.db2.gz YKJULLUXOFFGBT-RDJZCZTQSA-N 1 2 331.391 1.909 20 30 EDEDLO N#Cc1nccc(N2CC[C@@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001061774270 710654386 /nfs/dbraw/zinc/65/43/86/710654386.db2.gz NIUMNXGSMLFBDV-LBPRGKRZSA-N 1 2 347.382 1.481 20 30 EDEDLO CCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)n1 ZINC001034911942 711340780 /nfs/dbraw/zinc/34/07/80/711340780.db2.gz OORUZJOEQUMMKZ-CQSZACIVSA-N 1 2 342.403 1.616 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc3ncnn32)CC1 ZINC001004477363 711857431 /nfs/dbraw/zinc/85/74/31/711857431.db2.gz QOQAUTBOWUTGOX-HNNXBMFYSA-N 1 2 338.415 1.569 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc3ncnn32)CC1 ZINC001004477363 711857433 /nfs/dbraw/zinc/85/74/33/711857433.db2.gz QOQAUTBOWUTGOX-HNNXBMFYSA-N 1 2 338.415 1.569 20 30 EDEDLO Cn1nc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)cc1Cl ZINC001004482642 711872966 /nfs/dbraw/zinc/87/29/66/711872966.db2.gz DDVAIDYYJOKHJY-AWEZNQCLSA-N 1 2 335.839 1.914 20 30 EDEDLO Cn1nc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)cc1Cl ZINC001004482642 711872967 /nfs/dbraw/zinc/87/29/67/711872967.db2.gz DDVAIDYYJOKHJY-AWEZNQCLSA-N 1 2 335.839 1.914 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001033168955 712316557 /nfs/dbraw/zinc/31/65/57/712316557.db2.gz HSHUQDXOWDTMOP-JTQLQIEISA-N 1 2 343.225 1.479 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001033168955 712316558 /nfs/dbraw/zinc/31/65/58/712316558.db2.gz HSHUQDXOWDTMOP-JTQLQIEISA-N 1 2 343.225 1.479 20 30 EDEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000054875253 214260086 /nfs/dbraw/zinc/26/00/86/214260086.db2.gz OZOCGHFMEBAZKU-UHFFFAOYSA-N 1 2 344.415 1.448 20 30 EDEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCCO1 ZINC000187826067 529837141 /nfs/dbraw/zinc/83/71/41/529837141.db2.gz VXBGQAMMSXURJA-INIZCTEOSA-N 1 2 339.399 1.793 20 30 EDEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCCO1 ZINC000187826067 529837143 /nfs/dbraw/zinc/83/71/43/529837143.db2.gz VXBGQAMMSXURJA-INIZCTEOSA-N 1 2 339.399 1.793 20 30 EDEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000329017263 539390846 /nfs/dbraw/zinc/39/08/46/539390846.db2.gz KQIQDTMUIPNMQX-MCIONIFRSA-N 1 2 346.493 1.656 20 30 EDEDLO C[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000329582574 539445105 /nfs/dbraw/zinc/44/51/05/539445105.db2.gz AOARPCJVDQDGPW-YQQAZPJKSA-N 1 2 345.443 1.559 20 30 EDEDLO O=C(C[C@@H]1CCOC1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000329792387 539464961 /nfs/dbraw/zinc/46/49/61/539464961.db2.gz VDUQDSCXVXRCRG-HNNXBMFYSA-N 1 2 346.431 1.503 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCNC(=O)CC2)c1 ZINC000065955137 215000510 /nfs/dbraw/zinc/00/05/10/215000510.db2.gz KOPBQOHHHLIPQZ-INIZCTEOSA-N 1 2 342.443 1.761 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCNC(=O)CC2)c1 ZINC000065955137 215000514 /nfs/dbraw/zinc/00/05/14/215000514.db2.gz KOPBQOHHHLIPQZ-INIZCTEOSA-N 1 2 342.443 1.761 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181298593 234145833 /nfs/dbraw/zinc/14/58/33/234145833.db2.gz KRVAGQMWZAMIFN-UHFFFAOYSA-N 1 2 326.404 1.195 20 30 EDEDLO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c2nccn21 ZINC000562998196 306315185 /nfs/dbraw/zinc/31/51/85/306315185.db2.gz BXCWSAOYCUEMBY-WFASDCNBSA-N 1 2 330.413 1.824 20 30 EDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192552271 283397512 /nfs/dbraw/zinc/39/75/12/283397512.db2.gz KCGCBNAKKCGYHY-JKSUJKDBSA-N 1 2 326.400 1.264 20 30 EDEDLO CNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192552271 283397515 /nfs/dbraw/zinc/39/75/15/283397515.db2.gz KCGCBNAKKCGYHY-JKSUJKDBSA-N 1 2 326.400 1.264 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1noc(C2CCOCC2)n1 ZINC000176265896 237329576 /nfs/dbraw/zinc/32/95/76/237329576.db2.gz VJEDQDADZKRNFD-UHFFFAOYSA-N 1 2 349.435 1.011 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)cc1 ZINC000021434004 212224842 /nfs/dbraw/zinc/22/48/42/212224842.db2.gz DZFJQXYMTUEXIK-UHFFFAOYSA-N 1 2 348.450 1.992 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000195319189 139014093 /nfs/dbraw/zinc/01/40/93/139014093.db2.gz JTLFZMLSLZIATF-BETUJISGSA-N 1 2 348.447 1.748 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000195319189 139014094 /nfs/dbraw/zinc/01/40/94/139014094.db2.gz JTLFZMLSLZIATF-BETUJISGSA-N 1 2 348.447 1.748 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCc3nn(C)c(=O)cc3C2)c1C ZINC000078619554 217089242 /nfs/dbraw/zinc/08/92/42/217089242.db2.gz NCWFTVPBOUCIJG-UHFFFAOYSA-N 1 2 340.427 1.626 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c1C ZINC000078619554 217089244 /nfs/dbraw/zinc/08/92/44/217089244.db2.gz NCWFTVPBOUCIJG-UHFFFAOYSA-N 1 2 340.427 1.626 20 30 EDEDLO N#Cc1ccc(NC(=O)CC[NH+]2CCS(=O)CC2)cc1Cl ZINC000111224005 220114258 /nfs/dbraw/zinc/11/42/58/220114258.db2.gz YAYTUHWYKFWRQW-UHFFFAOYSA-N 1 2 325.821 1.605 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)C[C@@H](C)C#N)nc[nH+]1 ZINC000266812395 249349489 /nfs/dbraw/zinc/34/94/89/249349489.db2.gz PPNPZGDTWRBHJS-STQMWFEESA-N 1 2 331.424 1.288 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N(C)C[C@@H](C)C#N)[nH+]cn1 ZINC000266812395 249349491 /nfs/dbraw/zinc/34/94/91/249349491.db2.gz PPNPZGDTWRBHJS-STQMWFEESA-N 1 2 331.424 1.288 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000281953021 249511069 /nfs/dbraw/zinc/51/10/69/249511069.db2.gz JTQVVQKBNOGLQK-CZUORRHYSA-N 1 2 336.457 1.870 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000281953021 249511072 /nfs/dbraw/zinc/51/10/72/249511072.db2.gz JTQVVQKBNOGLQK-CZUORRHYSA-N 1 2 336.457 1.870 20 30 EDEDLO C=CC[C@@H]1N(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCC1(C)C ZINC000283785739 249579813 /nfs/dbraw/zinc/57/98/13/249579813.db2.gz GAMUWAFDGHCBAZ-GJZGRUSLSA-N 1 2 332.448 1.981 20 30 EDEDLO COc1ccc(C[NH+]2CC(N3CCNC3=O)C2)cc1OCCCC#N ZINC000297555699 249767613 /nfs/dbraw/zinc/76/76/13/249767613.db2.gz ASVVZAKCUOJPOI-UHFFFAOYSA-N 1 2 344.415 1.587 20 30 EDEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000347051036 250051893 /nfs/dbraw/zinc/05/18/93/250051893.db2.gz YDHJYTHVKQOLJH-CQSZACIVSA-N 1 2 342.399 1.164 20 30 EDEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000347051030 250052604 /nfs/dbraw/zinc/05/26/04/250052604.db2.gz YDHJYTHVKQOLJH-AWEZNQCLSA-N 1 2 342.399 1.164 20 30 EDEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000354920229 250102666 /nfs/dbraw/zinc/10/26/66/250102666.db2.gz XNAMFAYPNDSRCH-HNNXBMFYSA-N 1 2 346.427 1.866 20 30 EDEDLO C=CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000354920229 250102670 /nfs/dbraw/zinc/10/26/70/250102670.db2.gz XNAMFAYPNDSRCH-HNNXBMFYSA-N 1 2 346.427 1.866 20 30 EDEDLO CN(CCC#N)S(=O)(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000355109064 250106899 /nfs/dbraw/zinc/10/68/99/250106899.db2.gz PIIJGMRUYSDIEQ-UHFFFAOYSA-N 1 2 347.444 1.306 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355130918 250107010 /nfs/dbraw/zinc/10/70/10/250107010.db2.gz UDONZGKIYUQDAS-ZFWWWQNUSA-N 1 2 347.463 1.253 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355130918 250107012 /nfs/dbraw/zinc/10/70/12/250107012.db2.gz UDONZGKIYUQDAS-ZFWWWQNUSA-N 1 2 347.463 1.253 20 30 EDEDLO C=CCOC[C@@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)C(=O)OC ZINC000361113632 250171158 /nfs/dbraw/zinc/17/11/58/250171158.db2.gz MULMGVNPGYDUOU-OAHLLOKOSA-N 1 2 340.464 1.747 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC000363540080 250184881 /nfs/dbraw/zinc/18/48/81/250184881.db2.gz SBZRDRXWQLSACZ-QGZVFWFLSA-N 1 2 347.503 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC000363540080 250184889 /nfs/dbraw/zinc/18/48/89/250184889.db2.gz SBZRDRXWQLSACZ-QGZVFWFLSA-N 1 2 347.503 1.877 20 30 EDEDLO N#CCCCS(=O)(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000367150084 250192539 /nfs/dbraw/zinc/19/25/39/250192539.db2.gz BINZAKUOXGQBAR-STQMWFEESA-N 1 2 345.465 1.884 20 30 EDEDLO N#CCCCS(=O)(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000367150084 250192543 /nfs/dbraw/zinc/19/25/43/250192543.db2.gz BINZAKUOXGQBAR-STQMWFEESA-N 1 2 345.465 1.884 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000372591665 250222776 /nfs/dbraw/zinc/22/27/76/250222776.db2.gz HWPODDDCZWLPBL-MSOLQXFVSA-N 1 2 340.464 1.213 20 30 EDEDLO C#CCCS(=O)(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000377337538 250289017 /nfs/dbraw/zinc/28/90/17/250289017.db2.gz ZJHOAAGLUHOQLO-AWEZNQCLSA-N 1 2 340.449 1.017 20 30 EDEDLO C#CCCS(=O)(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000377337538 250289020 /nfs/dbraw/zinc/28/90/20/250289020.db2.gz ZJHOAAGLUHOQLO-AWEZNQCLSA-N 1 2 340.449 1.017 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000377325430 250289150 /nfs/dbraw/zinc/28/91/50/250289150.db2.gz URSHRBGMMFNOKC-IRXDYDNUSA-N 1 2 345.418 1.983 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000377325430 250289152 /nfs/dbraw/zinc/28/91/52/250289152.db2.gz URSHRBGMMFNOKC-IRXDYDNUSA-N 1 2 345.418 1.983 20 30 EDEDLO N#CC1(NC(=O)CN2CCCC[C@@H]2C[NH+]2CCOCC2)CCCCC1 ZINC000112602071 220354107 /nfs/dbraw/zinc/35/41/07/220354107.db2.gz OUTRGIJYOZIEDQ-QGZVFWFLSA-N 1 2 348.491 1.516 20 30 EDEDLO COCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1scnc1C ZINC000489495168 255068613 /nfs/dbraw/zinc/06/86/13/255068613.db2.gz KPTVFZOIKGHCBQ-INIZCTEOSA-N 1 2 338.477 1.954 20 30 EDEDLO COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1scnc1C ZINC000489495168 255068615 /nfs/dbraw/zinc/06/86/15/255068615.db2.gz KPTVFZOIKGHCBQ-INIZCTEOSA-N 1 2 338.477 1.954 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000490084365 255078382 /nfs/dbraw/zinc/07/83/82/255078382.db2.gz DDGXHMVNRLMDLJ-SSDOTTSWSA-N 1 2 336.339 1.824 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2cc(C(C)(C)C)no2)CC1 ZINC000491067284 255117534 /nfs/dbraw/zinc/11/75/34/255117534.db2.gz HNPCADZQXNCFRT-UHFFFAOYSA-N 1 2 346.431 1.372 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](c3ccccc3)OC[C@@H]2C)CC1 ZINC000490741489 255104149 /nfs/dbraw/zinc/10/41/49/255104149.db2.gz SCGWYVHPVGXZMB-HKUYNNGSSA-N 1 2 341.455 1.226 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2c(OC)cc(C)cc2OC)CC1 ZINC000490778929 255107214 /nfs/dbraw/zinc/10/72/14/255107214.db2.gz OXTXJWMXDSHLJH-UHFFFAOYSA-N 1 2 332.400 1.168 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cc(Cl)sc2Cl)CC1 ZINC000491669788 255138047 /nfs/dbraw/zinc/13/80/47/255138047.db2.gz QDKVIOQUVJXZLR-UHFFFAOYSA-N 1 2 346.283 1.922 20 30 EDEDLO CC1(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)CCOCC1 ZINC000493557988 255215534 /nfs/dbraw/zinc/21/55/34/255215534.db2.gz PGHXOOQJFAGEMZ-ONEGZZNKSA-N 1 2 335.448 1.434 20 30 EDEDLO CS(=O)(=O)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177000920 533384129 /nfs/dbraw/zinc/38/41/29/533384129.db2.gz ARKHEXXSAHWSKX-UHFFFAOYSA-N 1 2 326.849 1.659 20 30 EDEDLO CS(=O)(=O)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177000920 533384136 /nfs/dbraw/zinc/38/41/36/533384136.db2.gz ARKHEXXSAHWSKX-UHFFFAOYSA-N 1 2 326.849 1.659 20 30 EDEDLO COc1ccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cc1OCCCC#N ZINC000091865394 533563061 /nfs/dbraw/zinc/56/30/61/533563061.db2.gz IAFQTJXRYWENQL-OAHLLOKOSA-N 1 2 344.415 1.587 20 30 EDEDLO COc1ccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)cc1OCCCC#N ZINC000091865394 533563064 /nfs/dbraw/zinc/56/30/64/533563064.db2.gz IAFQTJXRYWENQL-OAHLLOKOSA-N 1 2 344.415 1.587 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000045369804 132420253 /nfs/dbraw/zinc/42/02/53/132420253.db2.gz GWTHCDBUZXPWFZ-UHFFFAOYSA-N 1 2 343.387 1.211 20 30 EDEDLO COCC1(O)CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000270360909 140085872 /nfs/dbraw/zinc/08/58/72/140085872.db2.gz KINGBQZEEPRYKF-UHFFFAOYSA-N 1 2 337.807 1.623 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270748670 140161364 /nfs/dbraw/zinc/16/13/64/140161364.db2.gz OEXLOXHYZNSIGQ-JOYOIKCWSA-N 1 2 335.795 1.281 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270748670 140161365 /nfs/dbraw/zinc/16/13/65/140161365.db2.gz OEXLOXHYZNSIGQ-JOYOIKCWSA-N 1 2 335.795 1.281 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1C#N ZINC000332242437 141145808 /nfs/dbraw/zinc/14/58/08/141145808.db2.gz VUPBSTUCBMGKOG-LBPRGKRZSA-N 1 2 334.445 1.937 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000333717898 141364827 /nfs/dbraw/zinc/36/48/27/141364827.db2.gz QXUZTYWBDXROFY-KRWDZBQOSA-N 1 2 334.441 1.968 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000333717898 141364828 /nfs/dbraw/zinc/36/48/28/141364828.db2.gz QXUZTYWBDXROFY-KRWDZBQOSA-N 1 2 334.441 1.968 20 30 EDEDLO N#Cc1c(Br)cccc1S(=O)(=O)NCC[NH+]1CCC1 ZINC000344717142 143002204 /nfs/dbraw/zinc/00/22/04/143002204.db2.gz BIAIJPSEMQYUIW-UHFFFAOYSA-N 1 2 344.234 1.305 20 30 EDEDLO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1nc(C#N)cs1 ZINC000352808976 149175663 /nfs/dbraw/zinc/17/56/63/149175663.db2.gz DWEPOJXPJGQOIF-HNNXBMFYSA-N 1 2 344.440 1.478 20 30 EDEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355081461 150107921 /nfs/dbraw/zinc/10/79/21/150107921.db2.gz OMJAKTSFLSAOPE-INIZCTEOSA-N 1 2 341.459 1.722 20 30 EDEDLO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355104353 150118719 /nfs/dbraw/zinc/11/87/19/150118719.db2.gz MESHOURDCZGLJL-INIZCTEOSA-N 1 2 349.438 1.780 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2cc(C#N)ccn2)C1 ZINC000357682985 151114826 /nfs/dbraw/zinc/11/48/26/151114826.db2.gz CLIDFZGTOVCZEA-GOSISDBHSA-N 1 2 344.415 1.489 20 30 EDEDLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1cccc(C#N)c1F ZINC000358031777 151240479 /nfs/dbraw/zinc/24/04/79/151240479.db2.gz BKOXEHFPWBUUGY-OAHLLOKOSA-N 1 2 348.422 1.680 20 30 EDEDLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1cccc(C#N)c1F ZINC000358031777 151240481 /nfs/dbraw/zinc/24/04/81/151240481.db2.gz BKOXEHFPWBUUGY-OAHLLOKOSA-N 1 2 348.422 1.680 20 30 EDEDLO CC(C)CCc1noc(C[NH+]2CCC(n3cnc(C#N)n3)CC2)n1 ZINC000370123176 155334554 /nfs/dbraw/zinc/33/45/54/155334554.db2.gz QSZLQPOHOGMJGS-UHFFFAOYSA-N 1 2 329.408 1.958 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363942850 153103451 /nfs/dbraw/zinc/10/34/51/153103451.db2.gz VYLMHIPQQSDHOR-GDBMZVCRSA-N 1 2 329.400 1.259 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1Cl ZINC000364965688 153384943 /nfs/dbraw/zinc/38/49/43/153384943.db2.gz ZJZKRWLYFFJLAB-NORZTCDRSA-N 1 2 346.818 1.736 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1Cl ZINC000364965688 153384945 /nfs/dbraw/zinc/38/49/45/153384945.db2.gz ZJZKRWLYFFJLAB-NORZTCDRSA-N 1 2 346.818 1.736 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000367194559 154036601 /nfs/dbraw/zinc/03/66/01/154036601.db2.gz ZNZPSXKQMBVTDZ-OAHLLOKOSA-N 1 2 346.412 1.416 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367572964 154181688 /nfs/dbraw/zinc/18/16/88/154181688.db2.gz GRFFLVATWAZWTK-KGLIPLIRSA-N 1 2 335.429 1.828 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367572964 154181694 /nfs/dbraw/zinc/18/16/94/154181694.db2.gz GRFFLVATWAZWTK-KGLIPLIRSA-N 1 2 335.429 1.828 20 30 EDEDLO Cc1cccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c1C#N ZINC000377852822 158011407 /nfs/dbraw/zinc/01/14/07/158011407.db2.gz UJVPWUFJESMSNW-GDBMZVCRSA-N 1 2 349.456 1.350 20 30 EDEDLO N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)cc2)c1N ZINC000378197845 158106095 /nfs/dbraw/zinc/10/60/95/158106095.db2.gz CYHGPLULKIFGER-CYBMUJFWSA-N 1 2 347.382 1.337 20 30 EDEDLO N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)cc2)c1N ZINC000378197845 158106097 /nfs/dbraw/zinc/10/60/97/158106097.db2.gz CYHGPLULKIFGER-CYBMUJFWSA-N 1 2 347.382 1.337 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000119139567 287349784 /nfs/dbraw/zinc/34/97/84/287349784.db2.gz HKMLYRNWMCVTQO-UHFFFAOYSA-N 1 2 327.388 1.976 20 30 EDEDLO CN(CCCn1cc[nH+]c1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000120803292 287364821 /nfs/dbraw/zinc/36/48/21/287364821.db2.gz JDRVFRFWAZSRAG-UHFFFAOYSA-N 1 2 327.388 1.865 20 30 EDEDLO C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000163960787 226033263 /nfs/dbraw/zinc/03/32/63/226033263.db2.gz REROUUZFAAVKIY-GJZGRUSLSA-N 1 2 345.443 1.941 20 30 EDEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000301298846 267016589 /nfs/dbraw/zinc/01/65/89/267016589.db2.gz ZGFAVAIEVLBYDB-HZPDHXFCSA-N 1 2 341.459 1.770 20 30 EDEDLO C[C@@H]1[C@H](C)SCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290484386 267108224 /nfs/dbraw/zinc/10/82/24/267108224.db2.gz XLYOOTRUISVWPX-NEPJUHHUSA-N 1 2 325.459 1.553 20 30 EDEDLO C[C@@H]1[C@H](C)SCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290484386 267108229 /nfs/dbraw/zinc/10/82/29/267108229.db2.gz XLYOOTRUISVWPX-NEPJUHHUSA-N 1 2 325.459 1.553 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000281164278 267157239 /nfs/dbraw/zinc/15/72/39/267157239.db2.gz HIBFKRJEYWKAEP-CQSZACIVSA-N 1 2 339.399 1.194 20 30 EDEDLO C[C@H](O)c1ncc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)s1 ZINC000289206905 267195534 /nfs/dbraw/zinc/19/55/34/267195534.db2.gz IGJJNXUDEXYVRF-RYUDHWBXSA-N 1 2 344.444 1.569 20 30 EDEDLO C[C@H](O)c1ncc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)s1 ZINC000289206905 267195536 /nfs/dbraw/zinc/19/55/36/267195536.db2.gz IGJJNXUDEXYVRF-RYUDHWBXSA-N 1 2 344.444 1.569 20 30 EDEDLO Cc1cc(NCCc2ccc(S(N)(=O)=O)cc2)c(C#N)c(C)[nH+]1 ZINC000301652847 267347582 /nfs/dbraw/zinc/34/75/82/267347582.db2.gz GWBJYULWPYBDHU-UHFFFAOYSA-N 1 2 330.413 1.872 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4nc[nH]c4n3)CC2)cc1 ZINC000273249487 268003332 /nfs/dbraw/zinc/00/33/32/268003332.db2.gz BWKDRFCKKYJZET-UHFFFAOYSA-N 1 2 346.394 1.788 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3cnc(C)cn3)CC2)c1C#N ZINC000515744659 268091249 /nfs/dbraw/zinc/09/12/49/268091249.db2.gz ROWFJJDUXSUPCZ-AWEZNQCLSA-N 1 2 325.420 1.582 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)cn1 ZINC000412025467 268127364 /nfs/dbraw/zinc/12/73/64/268127364.db2.gz IOWSTZCJVSYJEG-RBUKOAKNSA-N 1 2 349.438 1.740 20 30 EDEDLO COc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1C ZINC000274575062 268161940 /nfs/dbraw/zinc/16/19/40/268161940.db2.gz CVBLTTIANCDVIJ-UHFFFAOYSA-N 1 2 339.399 1.258 20 30 EDEDLO N#Cc1cccc(C[NH+]2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1 ZINC000298151430 268248045 /nfs/dbraw/zinc/24/80/45/268248045.db2.gz APBQCCSVTWUMSS-IBGZPJMESA-N 1 2 334.423 1.902 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NO[C@H]3CCCCO3)CC2)cc1 ZINC000275089777 268279264 /nfs/dbraw/zinc/27/92/64/268279264.db2.gz HRAFNLMOTKHLIQ-KRWDZBQOSA-N 1 2 344.415 1.844 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000528561139 268296675 /nfs/dbraw/zinc/29/66/75/268296675.db2.gz QPQHGPOFWUUKRE-UONOGXRCSA-N 1 2 344.333 1.951 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000528561139 268296677 /nfs/dbraw/zinc/29/66/77/268296677.db2.gz QPQHGPOFWUUKRE-UONOGXRCSA-N 1 2 344.333 1.951 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000528505228 268301951 /nfs/dbraw/zinc/30/19/51/268301951.db2.gz JEYKHAHMQSLNLE-RYRKJORJSA-N 1 2 332.400 1.178 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000528505228 268301953 /nfs/dbraw/zinc/30/19/53/268301953.db2.gz JEYKHAHMQSLNLE-RYRKJORJSA-N 1 2 332.400 1.178 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000528536460 268302631 /nfs/dbraw/zinc/30/26/31/268302631.db2.gz BKXLBDYRXWFQFZ-MRXNPFEDSA-N 1 2 337.379 1.752 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000528536460 268302632 /nfs/dbraw/zinc/30/26/32/268302632.db2.gz BKXLBDYRXWFQFZ-MRXNPFEDSA-N 1 2 337.379 1.752 20 30 EDEDLO Cc1nc(N2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000273539262 273042635 /nfs/dbraw/zinc/04/26/35/273042635.db2.gz WNDROYHPDBLMOW-UHFFFAOYSA-N 1 2 325.332 1.287 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CCN1C ZINC000450494129 302996763 /nfs/dbraw/zinc/99/67/63/302996763.db2.gz JITCJGUPASDACH-AWEZNQCLSA-N 1 2 326.360 1.693 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425873892 447343648 /nfs/dbraw/zinc/34/36/48/447343648.db2.gz QTMQIRKQRUPAQY-KBPBESRZSA-N 1 2 339.399 1.479 20 30 EDEDLO N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCCCn1cc[nH+]c1)CC2 ZINC000550197393 306151850 /nfs/dbraw/zinc/15/18/50/306151850.db2.gz OBRJAGTYIDLKSK-UHFFFAOYSA-N 1 2 337.383 1.240 20 30 EDEDLO Cn1ccnc1CN1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1=O ZINC000554969433 306199314 /nfs/dbraw/zinc/19/93/14/306199314.db2.gz LJWBHBWDEHDUPK-GFCCVEGCSA-N 1 2 330.417 1.029 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1)OCC ZINC000378279484 447413554 /nfs/dbraw/zinc/41/35/54/447413554.db2.gz CAGLJWIMBMKWHJ-INIZCTEOSA-N 1 2 334.464 1.826 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CCC[N@H+](Cc2nccn2C)CC1)OCC ZINC000378279484 447413559 /nfs/dbraw/zinc/41/35/59/447413559.db2.gz CAGLJWIMBMKWHJ-INIZCTEOSA-N 1 2 334.464 1.826 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1)OCC ZINC000378279484 447413565 /nfs/dbraw/zinc/41/35/65/447413565.db2.gz CAGLJWIMBMKWHJ-INIZCTEOSA-N 1 2 334.464 1.826 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000045184460 440959326 /nfs/dbraw/zinc/95/93/26/440959326.db2.gz ZBHXTKNNAWDOMN-RDJZCZTQSA-N 1 2 330.432 1.861 20 30 EDEDLO C=CCN(C(=O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000070448013 441112192 /nfs/dbraw/zinc/11/21/92/441112192.db2.gz HCSZXUMBIBKGQW-MRXNPFEDSA-N 1 2 336.457 1.320 20 30 EDEDLO C=CCN(C(=O)C[N@H+](C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000070448013 441112194 /nfs/dbraw/zinc/11/21/94/441112194.db2.gz HCSZXUMBIBKGQW-MRXNPFEDSA-N 1 2 336.457 1.320 20 30 EDEDLO N#CC1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000057431174 441114576 /nfs/dbraw/zinc/11/45/76/441114576.db2.gz IAUOUVPUDQGRBR-QGZVFWFLSA-N 1 2 337.489 1.785 20 30 EDEDLO C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(C#N)CC1 ZINC000057876897 441140101 /nfs/dbraw/zinc/14/01/01/441140101.db2.gz XBXXPELYAZLGES-DZGCQCFKSA-N 1 2 329.400 1.567 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)nc1 ZINC000080321208 441160718 /nfs/dbraw/zinc/16/07/18/441160718.db2.gz OGENRNSQMUJSNK-UHFFFAOYSA-N 1 2 339.403 1.072 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000060481696 441246551 /nfs/dbraw/zinc/24/65/51/441246551.db2.gz UKBUOWVQLWGHLV-UHFFFAOYSA-N 1 2 326.356 1.655 20 30 EDEDLO Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000060634242 441255363 /nfs/dbraw/zinc/25/53/63/441255363.db2.gz SKKXPJPMASQZQJ-UHFFFAOYSA-N 1 2 346.387 1.591 20 30 EDEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(C[C@H](C#N)CCC#N)CC2)C1 ZINC000072895276 441274612 /nfs/dbraw/zinc/27/46/12/441274612.db2.gz XWXDBYPNYAHAGU-BZSNNMDCSA-N 1 2 345.491 1.552 20 30 EDEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 ZINC000026402167 441376666 /nfs/dbraw/zinc/37/66/66/441376666.db2.gz WVJBMYFHTSIPRE-MAUKXSAKSA-N 1 2 342.443 1.953 20 30 EDEDLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000052508671 441454985 /nfs/dbraw/zinc/45/49/85/441454985.db2.gz CMMQEURXGWTVBQ-INIZCTEOSA-N 1 2 343.475 1.968 20 30 EDEDLO CS(=O)(=O)N1CCC[N@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000076192436 441608690 /nfs/dbraw/zinc/60/86/90/441608690.db2.gz YCLXPAFZJXZFDT-UHFFFAOYSA-N 1 2 332.429 1.278 20 30 EDEDLO CS(=O)(=O)N1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000076192436 441608693 /nfs/dbraw/zinc/60/86/93/441608693.db2.gz YCLXPAFZJXZFDT-UHFFFAOYSA-N 1 2 332.429 1.278 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000076270362 441620368 /nfs/dbraw/zinc/62/03/68/441620368.db2.gz OSNITBUZGKJKMJ-UHFFFAOYSA-N 1 2 345.374 1.083 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000076429942 441645610 /nfs/dbraw/zinc/64/56/10/441645610.db2.gz PTBUVZUKHCKZCJ-HNNXBMFYSA-N 1 2 332.423 1.956 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C(N)=O)cc1 ZINC000115598739 441764156 /nfs/dbraw/zinc/76/41/56/441764156.db2.gz LBOSYGIHKZILEE-INIZCTEOSA-N 1 2 326.331 1.452 20 30 EDEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000121848495 441793823 /nfs/dbraw/zinc/79/38/23/441793823.db2.gz UPFUFHCAGXLIRE-LBPRGKRZSA-N 1 2 348.384 1.101 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000143218910 441869110 /nfs/dbraw/zinc/86/91/10/441869110.db2.gz IFDMPYMWRNUTRG-LBPRGKRZSA-N 1 2 341.371 1.297 20 30 EDEDLO Cc1ccc(C#N)c(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000160440775 441883329 /nfs/dbraw/zinc/88/33/29/441883329.db2.gz WNXDFWYECJXJSP-UHFFFAOYSA-N 1 2 334.387 1.265 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[NH+](CCNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175361110 442050200 /nfs/dbraw/zinc/05/02/00/442050200.db2.gz GHGCEPDALDKIFW-UHFFFAOYSA-N 1 2 347.419 1.169 20 30 EDEDLO CCNC(=O)C[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000121273755 442198293 /nfs/dbraw/zinc/19/82/93/442198293.db2.gz AFXPJSDCLFNNSJ-UHFFFAOYSA-N 1 2 340.349 1.835 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)C#Cc3ccccc3)c[nH+]2)CCO1 ZINC000176027061 442162841 /nfs/dbraw/zinc/16/28/41/442162841.db2.gz VCEOVZUWWVJRJC-MRXNPFEDSA-N 1 2 335.407 1.975 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000176351847 442213095 /nfs/dbraw/zinc/21/30/95/442213095.db2.gz OXWHMFZFYVVPOR-MRXNPFEDSA-N 1 2 326.444 1.687 20 30 EDEDLO Cc1ccc(C#N)c(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)n1 ZINC000127687358 442219852 /nfs/dbraw/zinc/21/98/52/442219852.db2.gz LHPMTUVPBNYXBY-INIZCTEOSA-N 1 2 341.459 1.785 20 30 EDEDLO C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000171683988 442370303 /nfs/dbraw/zinc/37/03/03/442370303.db2.gz YSBINONLNOLCIN-HUUCEWRRSA-N 1 2 346.431 1.497 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Cn2cncn2)CC1 ZINC000186234797 442493343 /nfs/dbraw/zinc/49/33/43/442493343.db2.gz JETVFOPDBCKLPV-QGZVFWFLSA-N 1 2 339.399 1.776 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134339261 442471582 /nfs/dbraw/zinc/47/15/82/442471582.db2.gz PNYHLPXCBYGTOX-CABCVRRESA-N 1 2 345.509 1.202 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000134339261 442471585 /nfs/dbraw/zinc/47/15/85/442471585.db2.gz PNYHLPXCBYGTOX-CABCVRRESA-N 1 2 345.509 1.202 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000180177654 442554525 /nfs/dbraw/zinc/55/45/25/442554525.db2.gz KCGYAUZDRNDIAX-CQSZACIVSA-N 1 2 332.473 1.748 20 30 EDEDLO CC(C)C(=O)NCC[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000157273598 442566738 /nfs/dbraw/zinc/56/67/38/442566738.db2.gz DIKSVCAZSXEEQS-ZDUSSCGKSA-N 1 2 334.445 1.429 20 30 EDEDLO CC(C)C(=O)NCC[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000157273598 442566743 /nfs/dbraw/zinc/56/67/43/442566743.db2.gz DIKSVCAZSXEEQS-ZDUSSCGKSA-N 1 2 334.445 1.429 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000192234446 442620318 /nfs/dbraw/zinc/62/03/18/442620318.db2.gz KCHFQILLKJZHGM-UHFFFAOYSA-N 1 2 341.455 1.291 20 30 EDEDLO C#CC[N@H+](C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000192234446 442620324 /nfs/dbraw/zinc/62/03/24/442620324.db2.gz KCHFQILLKJZHGM-UHFFFAOYSA-N 1 2 341.455 1.291 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135712438 442626728 /nfs/dbraw/zinc/62/67/28/442626728.db2.gz NVHFXBNBCKWKOE-MRXNPFEDSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135712438 442626733 /nfs/dbraw/zinc/62/67/33/442626733.db2.gz NVHFXBNBCKWKOE-MRXNPFEDSA-N 1 2 337.420 1.697 20 30 EDEDLO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(C#N)c(O)c2)C[C@H](C)O1 ZINC000188241432 442727973 /nfs/dbraw/zinc/72/79/73/442727973.db2.gz PTEZKNBEPNZMHE-STQMWFEESA-N 1 2 331.416 1.881 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000188117611 442713419 /nfs/dbraw/zinc/71/34/19/442713419.db2.gz LCUZMNPLXBTGCO-GOSISDBHSA-N 1 2 333.432 1.763 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246394524 442778973 /nfs/dbraw/zinc/77/89/73/442778973.db2.gz JAZCTFNXRFVDGT-HUUCEWRRSA-N 1 2 346.456 1.132 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)C1=O ZINC000246394524 442778977 /nfs/dbraw/zinc/77/89/77/442778977.db2.gz JAZCTFNXRFVDGT-HUUCEWRRSA-N 1 2 346.456 1.132 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H](N2CC[C@@H]([NH+]3CCOCC3)C2)C1=O ZINC000246394524 442778981 /nfs/dbraw/zinc/77/89/81/442778981.db2.gz JAZCTFNXRFVDGT-HUUCEWRRSA-N 1 2 346.456 1.132 20 30 EDEDLO Cc1nc2sccn2c1C[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000268179930 442886411 /nfs/dbraw/zinc/88/64/11/442886411.db2.gz CERWXVKVBBBVGH-UHFFFAOYSA-N 1 2 344.444 1.792 20 30 EDEDLO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000268179930 442886414 /nfs/dbraw/zinc/88/64/14/442886414.db2.gz CERWXVKVBBBVGH-UHFFFAOYSA-N 1 2 344.444 1.792 20 30 EDEDLO NC(C[NH+]1CCN(c2ccccc2)CC1)=NOCC[C@@H]1CCCO1 ZINC000189249051 442905367 /nfs/dbraw/zinc/90/53/67/442905367.db2.gz POKACLNMLIKHJV-KRWDZBQOSA-N 1 2 332.448 1.667 20 30 EDEDLO O[C@H](C[NH+]1CCN(CC(F)(F)C(F)F)CC1)CC(F)(F)F ZINC000189317242 442918966 /nfs/dbraw/zinc/91/89/66/442918966.db2.gz LTQPLLGXICTTCB-QMMMGPOBSA-N 1 2 326.256 1.818 20 30 EDEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nnnn1-c1ccccc1 ZINC000184827217 318539043 /nfs/dbraw/zinc/53/90/43/318539043.db2.gz HDAWBGPRJCEVDE-ZDUSSCGKSA-N 1 2 347.382 1.823 20 30 EDEDLO COCc1noc(CN2CC[NH+](Cc3ccc(C#N)cc3C)CC2)n1 ZINC000189626493 442986802 /nfs/dbraw/zinc/98/68/02/442986802.db2.gz ZKLNJHDPRSTXQQ-UHFFFAOYSA-N 1 2 341.415 1.714 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)Cc2ccc(C#N)cc2)no1 ZINC000194760749 442950877 /nfs/dbraw/zinc/95/08/77/442950877.db2.gz LNASDFOGVCFMSU-UHFFFAOYSA-N 1 2 327.388 1.597 20 30 EDEDLO COC[C@](C)(C#N)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000268542786 443027928 /nfs/dbraw/zinc/02/79/28/443027928.db2.gz NCKMIIZJTHBWKA-HNNXBMFYSA-N 1 2 329.316 1.439 20 30 EDEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)s1 ZINC000185016002 443118486 /nfs/dbraw/zinc/11/84/86/443118486.db2.gz SYOPFLXZVYPMPV-GJZGRUSLSA-N 1 2 349.504 1.795 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1OCCc2ccccc21 ZINC000263759675 443238518 /nfs/dbraw/zinc/23/85/18/443238518.db2.gz UPFVHOFMABSCES-SFHVURJKSA-N 1 2 340.427 1.888 20 30 EDEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1OCCc2ccccc21 ZINC000263759675 443238520 /nfs/dbraw/zinc/23/85/20/443238520.db2.gz UPFVHOFMABSCES-SFHVURJKSA-N 1 2 340.427 1.888 20 30 EDEDLO CCOC(=O)C1(O)CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000266961837 443304241 /nfs/dbraw/zinc/30/42/41/443304241.db2.gz WSCNCKBFXZTGQR-UHFFFAOYSA-N 1 2 327.384 1.701 20 30 EDEDLO COc1cc(C[N@@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)ccc1C#N ZINC000282367437 443318342 /nfs/dbraw/zinc/31/83/42/443318342.db2.gz PZWZILALEBDQGV-QGZVFWFLSA-N 1 2 326.400 1.973 20 30 EDEDLO COc1cc(C[N@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)ccc1C#N ZINC000282367437 443318343 /nfs/dbraw/zinc/31/83/43/443318343.db2.gz PZWZILALEBDQGV-QGZVFWFLSA-N 1 2 326.400 1.973 20 30 EDEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000282385513 443323541 /nfs/dbraw/zinc/32/35/41/443323541.db2.gz REJKIOSKTOJNAA-CQSZACIVSA-N 1 2 341.481 1.494 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000264462431 443299782 /nfs/dbraw/zinc/29/97/82/443299782.db2.gz RVBXUDAFXLCJIJ-CABCVRRESA-N 1 2 330.432 1.078 20 30 EDEDLO C=CCNC(=O)c1ccc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)nc1 ZINC000267238253 443390060 /nfs/dbraw/zinc/39/00/60/443390060.db2.gz RKCDUBLGFHSSTJ-ZDUSSCGKSA-N 1 2 345.472 1.611 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000270712137 443479096 /nfs/dbraw/zinc/47/90/96/443479096.db2.gz ZWGPRAYKJPMLLE-JSGCOSHPSA-N 1 2 347.394 1.203 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270712137 443479099 /nfs/dbraw/zinc/47/90/99/443479099.db2.gz ZWGPRAYKJPMLLE-JSGCOSHPSA-N 1 2 347.394 1.203 20 30 EDEDLO C[C@]1(O)CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000271058408 443488775 /nfs/dbraw/zinc/48/87/75/443488775.db2.gz RTMUXSXULDZWHL-ACJLOTCBSA-N 1 2 340.383 1.358 20 30 EDEDLO C[C@]1(O)CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000271058408 443488780 /nfs/dbraw/zinc/48/87/80/443488780.db2.gz RTMUXSXULDZWHL-ACJLOTCBSA-N 1 2 340.383 1.358 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000272853324 443467107 /nfs/dbraw/zinc/46/71/07/443467107.db2.gz ODLZDIILTVNZBS-HNNXBMFYSA-N 1 2 339.461 1.189 20 30 EDEDLO C=CCCCNC(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000283293182 443591564 /nfs/dbraw/zinc/59/15/64/443591564.db2.gz ADDYSNZMGZHXOF-HNNXBMFYSA-N 1 2 344.390 1.847 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000283266545 443582852 /nfs/dbraw/zinc/58/28/52/443582852.db2.gz FPOLBNGXGAXDCP-CZUORRHYSA-N 1 2 342.399 1.048 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@H](c1nc(C(C)C)no1)C1CCOCC1 ZINC000275256452 443624251 /nfs/dbraw/zinc/62/42/51/443624251.db2.gz HMDTUWANXSLWKT-OCCSQVGLSA-N 1 2 334.420 1.388 20 30 EDEDLO N#CCSCC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275603342 443633315 /nfs/dbraw/zinc/63/33/15/443633315.db2.gz LACMBBCGMYFBJV-AWEZNQCLSA-N 1 2 346.456 1.918 20 30 EDEDLO C=CCCCNC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000279541706 443604086 /nfs/dbraw/zinc/60/40/86/443604086.db2.gz LUVRAQGARLJIMJ-UHFFFAOYSA-N 1 2 345.447 1.549 20 30 EDEDLO Cc1nc(C(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)ccc1C#N ZINC000276324588 443687215 /nfs/dbraw/zinc/68/72/15/443687215.db2.gz PLTCALSJJYYXGO-BBRMVZONSA-N 1 2 325.372 1.645 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000280191204 443675591 /nfs/dbraw/zinc/67/55/91/443675591.db2.gz ZXLZXWLNDJJTKG-DOTOQJQBSA-N 1 2 333.457 1.304 20 30 EDEDLO COc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)CCC#N)CC2)cc1 ZINC000276258211 443676467 /nfs/dbraw/zinc/67/64/67/443676467.db2.gz APMOVVCGJOAAPR-AWEZNQCLSA-N 1 2 337.445 1.694 20 30 EDEDLO Cc1ccc(CN(C(=O)CO[NH+]=C(N)[C@@H]2CCCO2)C2CC2)cc1 ZINC000283759717 443708898 /nfs/dbraw/zinc/70/88/98/443708898.db2.gz AVDNZKGDNCNFDV-INIZCTEOSA-N 1 2 331.416 1.954 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1ccnc(C#N)c1 ZINC000290916335 443710710 /nfs/dbraw/zinc/71/07/10/443710710.db2.gz HNNNADUQFQKIMX-BBRMVZONSA-N 1 2 328.395 1.736 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CCN1C ZINC000290925115 443713281 /nfs/dbraw/zinc/71/32/81/443713281.db2.gz IVAUXFZQPLVUSM-HNNXBMFYSA-N 1 2 326.360 1.693 20 30 EDEDLO Cc1sc(NC(=O)CN2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C#N)c1C ZINC000284962786 443800488 /nfs/dbraw/zinc/80/04/88/443800488.db2.gz XINPLLIOUZBDDV-LSDHHAIUSA-N 1 2 348.472 1.580 20 30 EDEDLO Cc1sc(NC(=O)CN2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c(C#N)c1C ZINC000284962786 443800489 /nfs/dbraw/zinc/80/04/89/443800489.db2.gz XINPLLIOUZBDDV-LSDHHAIUSA-N 1 2 348.472 1.580 20 30 EDEDLO C=C(C)CS(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000276567373 443749213 /nfs/dbraw/zinc/74/92/13/443749213.db2.gz MNESTWCGZXDGKC-KRWDZBQOSA-N 1 2 338.473 1.425 20 30 EDEDLO Cn1cc([C@@H](CO)[NH2+]Cc2ccc(Br)cc2C#N)cn1 ZINC000287702150 443754782 /nfs/dbraw/zinc/75/47/82/443754782.db2.gz JFGXWUZJJNUXFE-CQSZACIVSA-N 1 2 335.205 1.877 20 30 EDEDLO COc1ccc(OCCO[NH+]=C(N)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000284083487 443763492 /nfs/dbraw/zinc/76/34/92/443763492.db2.gz KPDJDBBIHVQQNF-CYBMUJFWSA-N 1 2 325.321 1.450 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Cc3cccc(OCC#N)c3)C[C@@H]21 ZINC000284190217 443769666 /nfs/dbraw/zinc/76/96/66/443769666.db2.gz SPOWOVSELMNIFN-IRXDYDNUSA-N 1 2 329.400 1.063 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Cc3cccc(OCC#N)c3)C[C@@H]21 ZINC000284190217 443769673 /nfs/dbraw/zinc/76/96/73/443769673.db2.gz SPOWOVSELMNIFN-IRXDYDNUSA-N 1 2 329.400 1.063 20 30 EDEDLO CC(C)NS(=O)(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000284398972 443774027 /nfs/dbraw/zinc/77/40/27/443774027.db2.gz WGFIOTLUOWNTRL-AWEZNQCLSA-N 1 2 336.461 1.480 20 30 EDEDLO CCCCOCCNC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292065292 443775701 /nfs/dbraw/zinc/77/57/01/443775701.db2.gz CGYDHHBWUIWASF-INIZCTEOSA-N 1 2 346.431 1.339 20 30 EDEDLO CCCCOCCNC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292065292 443775705 /nfs/dbraw/zinc/77/57/05/443775705.db2.gz CGYDHHBWUIWASF-INIZCTEOSA-N 1 2 346.431 1.339 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000292695708 443820409 /nfs/dbraw/zinc/82/04/09/443820409.db2.gz LHFLFLUBFXGHFA-UKRRQHHQSA-N 1 2 347.444 1.767 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000292695698 443820894 /nfs/dbraw/zinc/82/08/94/443820894.db2.gz LHFLFLUBFXGHFA-DZGCQCFKSA-N 1 2 347.444 1.767 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)n3c(C)csc3n2)C1=O ZINC000281323596 443880381 /nfs/dbraw/zinc/88/03/81/443880381.db2.gz LKQURQCGLNNFDQ-CYBMUJFWSA-N 1 2 332.429 1.283 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3c(C)csc3n2)C1=O ZINC000281323596 443880386 /nfs/dbraw/zinc/88/03/86/443880386.db2.gz LKQURQCGLNNFDQ-CYBMUJFWSA-N 1 2 332.429 1.283 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000276861165 443856115 /nfs/dbraw/zinc/85/61/15/443856115.db2.gz BDXHQUWFLMUAIW-INIZCTEOSA-N 1 2 349.456 1.290 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000276861165 443856121 /nfs/dbraw/zinc/85/61/21/443856121.db2.gz BDXHQUWFLMUAIW-INIZCTEOSA-N 1 2 349.456 1.290 20 30 EDEDLO COC(=O)[C@H]1CC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000285129029 443866434 /nfs/dbraw/zinc/86/64/34/443866434.db2.gz QKXHFTQMSPJKKL-SJORKVTESA-N 1 2 341.411 1.402 20 30 EDEDLO N#CCCOCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293024444 443905323 /nfs/dbraw/zinc/90/53/23/443905323.db2.gz FTVVXVSDUNXYPH-UHFFFAOYSA-N 1 2 332.360 1.283 20 30 EDEDLO COc1cc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cc(OC)c1 ZINC000299136442 443964310 /nfs/dbraw/zinc/96/43/10/443964310.db2.gz PJVNJNKLIBCDGW-GOSISDBHSA-N 1 2 331.416 1.944 20 30 EDEDLO COc1cc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cc(OC)c1 ZINC000299136442 443964315 /nfs/dbraw/zinc/96/43/15/443964315.db2.gz PJVNJNKLIBCDGW-GOSISDBHSA-N 1 2 331.416 1.944 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(c3nccs3)CC2)CCCCC1 ZINC000299223233 443988166 /nfs/dbraw/zinc/98/81/66/443988166.db2.gz AEUXQOZDWSAKRO-UHFFFAOYSA-N 1 2 347.488 1.998 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCN(c3nccs3)CC2)CCCCC1 ZINC000299223233 443988170 /nfs/dbraw/zinc/98/81/70/443988170.db2.gz AEUXQOZDWSAKRO-UHFFFAOYSA-N 1 2 347.488 1.998 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3ccc(Cl)nc3)CC2)C1=O ZINC000281932262 444042287 /nfs/dbraw/zinc/04/22/87/444042287.db2.gz ICNOUHRPDBFTOW-OAHLLOKOSA-N 1 2 334.851 1.640 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000281811619 444011765 /nfs/dbraw/zinc/01/17/65/444011765.db2.gz NTQUOFQNDUMDKQ-PMPSAXMXSA-N 1 2 347.463 1.399 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCOCc1ccccc1 ZINC000299520103 444068711 /nfs/dbraw/zinc/06/87/11/444068711.db2.gz LEJFRDXSKWXNEE-UHFFFAOYSA-N 1 2 345.443 1.668 20 30 EDEDLO Cc1cc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1C#N ZINC000277964308 444069947 /nfs/dbraw/zinc/06/99/47/444069947.db2.gz KXEBLYOIRZITJZ-HNNXBMFYSA-N 1 2 342.424 1.819 20 30 EDEDLO CO[C@H](C)C[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000285689041 444073744 /nfs/dbraw/zinc/07/37/44/444073744.db2.gz NQPHBNKRMLPYEW-DGCLKSJQSA-N 1 2 328.372 1.478 20 30 EDEDLO CO[C@H](C)C[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000285689041 444073749 /nfs/dbraw/zinc/07/37/49/444073749.db2.gz NQPHBNKRMLPYEW-DGCLKSJQSA-N 1 2 328.372 1.478 20 30 EDEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000570214881 321341283 /nfs/dbraw/zinc/34/12/83/321341283.db2.gz AXIVQOXVHBULEA-AWEZNQCLSA-N 1 2 337.401 1.866 20 30 EDEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000570214881 321341284 /nfs/dbraw/zinc/34/12/84/321341284.db2.gz AXIVQOXVHBULEA-AWEZNQCLSA-N 1 2 337.401 1.866 20 30 EDEDLO CCc1noc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000294310533 444112209 /nfs/dbraw/zinc/11/22/09/444112209.db2.gz UYPICHJIEMGKSS-UHFFFAOYSA-N 1 2 340.387 1.853 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000294400017 444115616 /nfs/dbraw/zinc/11/56/16/444115616.db2.gz JDKZIJYSCQOTTI-SJLPKXTDSA-N 1 2 330.428 1.523 20 30 EDEDLO C#CCNC(=O)c1ccc(NC2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000301231334 444156433 /nfs/dbraw/zinc/15/64/33/444156433.db2.gz JNRXTZHRFUKLTH-UHFFFAOYSA-N 1 2 335.411 1.921 20 30 EDEDLO COC[C@@]1(C(=O)OC)CC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000295063922 444164460 /nfs/dbraw/zinc/16/44/60/444164460.db2.gz CBXOJQSSIQHYOG-MAUKXSAKSA-N 1 2 346.383 1.284 20 30 EDEDLO COC[C@@]1(C(=O)OC)CC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000295063922 444164464 /nfs/dbraw/zinc/16/44/64/444164464.db2.gz CBXOJQSSIQHYOG-MAUKXSAKSA-N 1 2 346.383 1.284 20 30 EDEDLO C#CCO[C@H](C)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000295393232 444182308 /nfs/dbraw/zinc/18/23/08/444182308.db2.gz VHISGGWTPJDWRV-OAHLLOKOSA-N 1 2 343.427 1.328 20 30 EDEDLO C=CCC(C)(C)CNC(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000297529075 444297059 /nfs/dbraw/zinc/29/70/59/444297059.db2.gz XWRCOZBXGRHDIR-CQSZACIVSA-N 1 2 346.479 1.877 20 30 EDEDLO C=CCC(C)(C)CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000297529075 444297062 /nfs/dbraw/zinc/29/70/62/444297062.db2.gz XWRCOZBXGRHDIR-CQSZACIVSA-N 1 2 346.479 1.877 20 30 EDEDLO CC[C@@H](C)[NH+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000321987990 444338257 /nfs/dbraw/zinc/33/82/57/444338257.db2.gz VIPUCLIJBFGPGV-OAHLLOKOSA-N 1 2 335.473 1.748 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000328822609 444364531 /nfs/dbraw/zinc/36/45/31/444364531.db2.gz IDHHRTPDVCBNBC-ZDUSSCGKSA-N 1 2 333.436 1.004 20 30 EDEDLO CCN1CCN(C(=O)Nc2nc(C)c(C)o2)C[C@H]1c1[nH+]ccn1C ZINC000328631241 444403313 /nfs/dbraw/zinc/40/33/13/444403313.db2.gz QQSRGZQEPAQRLY-ZDUSSCGKSA-N 1 2 332.408 1.949 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000328632748 444404627 /nfs/dbraw/zinc/40/46/27/444404627.db2.gz SCIMMFNAKBUJIY-AWEZNQCLSA-N 1 2 330.413 1.604 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)ccn12 ZINC000578761773 321827165 /nfs/dbraw/zinc/82/71/65/321827165.db2.gz PVCQCENKRHGJTB-UHFFFAOYSA-N 1 2 346.394 1.872 20 30 EDEDLO CCC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328655344 444417484 /nfs/dbraw/zinc/41/74/84/444417484.db2.gz MVCSBIMCCROXCC-KBPBESRZSA-N 1 2 333.436 1.583 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccccc3NC(=O)C3CC3)C[C@@H]21 ZINC000328952990 444421260 /nfs/dbraw/zinc/42/12/60/444421260.db2.gz XUPYPTZOXDUHNM-HOTGVXAUSA-N 1 2 329.400 1.840 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)c3ccccc3NC(=O)C3CC3)C[C@@H]21 ZINC000328952990 444421264 /nfs/dbraw/zinc/42/12/64/444421264.db2.gz XUPYPTZOXDUHNM-HOTGVXAUSA-N 1 2 329.400 1.840 20 30 EDEDLO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)NC(=O)c1ccccc1 ZINC000328859753 444377310 /nfs/dbraw/zinc/37/73/10/444377310.db2.gz AERSBGBHJBPUMX-PVAVHDDUSA-N 1 2 345.443 1.701 20 30 EDEDLO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)NC(=O)c1ccccc1 ZINC000328859753 444377315 /nfs/dbraw/zinc/37/73/15/444377315.db2.gz AERSBGBHJBPUMX-PVAVHDDUSA-N 1 2 345.443 1.701 20 30 EDEDLO C#CCN(C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000297998168 444382493 /nfs/dbraw/zinc/38/24/93/444382493.db2.gz JXBRMRIRKFRXIQ-CQSZACIVSA-N 1 2 347.846 1.637 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000340453725 444388056 /nfs/dbraw/zinc/38/80/56/444388056.db2.gz HKDAHDDQUIOUCD-UHFFFAOYSA-N 1 2 338.411 1.748 20 30 EDEDLO CN1C(=O)NC2(CC[NH+](CC(=O)Nc3sccc3C#N)CC2)C1=O ZINC000328895777 444391590 /nfs/dbraw/zinc/39/15/90/444391590.db2.gz VKBSVLXAVVREFV-UHFFFAOYSA-N 1 2 347.400 1.428 20 30 EDEDLO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@H]3C1)CCC2 ZINC000328901909 444394882 /nfs/dbraw/zinc/39/48/82/444394882.db2.gz ZROGQTDEXOTJFA-JYJNAYRXSA-N 1 2 347.463 1.388 20 30 EDEDLO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@@H]3OCC[N@H+](C)[C@H]3C1)CCC2 ZINC000328901909 444394886 /nfs/dbraw/zinc/39/48/86/444394886.db2.gz ZROGQTDEXOTJFA-JYJNAYRXSA-N 1 2 347.463 1.388 20 30 EDEDLO COC[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C[C@H](C)O1 ZINC000331268502 444460216 /nfs/dbraw/zinc/46/02/16/444460216.db2.gz SBOVZHFSZZJLRM-ZFWWWQNUSA-N 1 2 349.431 1.701 20 30 EDEDLO COC[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C[C@H](C)O1 ZINC000331268502 444460219 /nfs/dbraw/zinc/46/02/19/444460219.db2.gz SBOVZHFSZZJLRM-ZFWWWQNUSA-N 1 2 349.431 1.701 20 30 EDEDLO CCN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000329088544 444468993 /nfs/dbraw/zinc/46/89/93/444468993.db2.gz VPJDYYGXODABOA-ZWKOTPCHSA-N 1 2 347.459 1.565 20 30 EDEDLO CCN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000329088544 444468996 /nfs/dbraw/zinc/46/89/96/444468996.db2.gz VPJDYYGXODABOA-ZWKOTPCHSA-N 1 2 347.459 1.565 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000331449140 444472402 /nfs/dbraw/zinc/47/24/02/444472402.db2.gz LMILVFMRDJLUFQ-PBHICJAKSA-N 1 2 336.436 1.518 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000331449140 444472405 /nfs/dbraw/zinc/47/24/05/444472405.db2.gz LMILVFMRDJLUFQ-PBHICJAKSA-N 1 2 336.436 1.518 20 30 EDEDLO Cc1noc([C@@H]2CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]3CCOCC3)C2)n1 ZINC000329131442 444479936 /nfs/dbraw/zinc/47/99/36/444479936.db2.gz OVXRLIIMJKRTKY-YRGRVCCFSA-N 1 2 337.424 1.191 20 30 EDEDLO O=C(NCc1cn2ccccc2[nH+]1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329134527 444480616 /nfs/dbraw/zinc/48/06/16/444480616.db2.gz ZQGAGRSPYNHXKP-CXAGYDPISA-N 1 2 330.388 1.676 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3c[nH]nc3-c3nccs3)C[C@H]21 ZINC000329144182 444483263 /nfs/dbraw/zinc/48/32/63/444483263.db2.gz WCZHFBULAGSUGZ-VXGBXAGGSA-N 1 2 348.432 1.484 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3c[nH]nc3-c3nccs3)C[C@H]21 ZINC000329144182 444483265 /nfs/dbraw/zinc/48/32/65/444483265.db2.gz WCZHFBULAGSUGZ-VXGBXAGGSA-N 1 2 348.432 1.484 20 30 EDEDLO CN(C)C(=O)C1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000329260233 444515116 /nfs/dbraw/zinc/51/51/16/444515116.db2.gz YXDKEWJACRZZPQ-HNNXBMFYSA-N 1 2 341.477 1.019 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[C@@H]1CCCCO1 ZINC000329266070 444516382 /nfs/dbraw/zinc/51/63/82/444516382.db2.gz HGQYPCOTSUZTEM-PMPSAXMXSA-N 1 2 325.453 1.655 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000329279859 444519592 /nfs/dbraw/zinc/51/95/92/444519592.db2.gz DKMZBEYEFGHGRE-NVXWUHKLSA-N 1 2 348.495 1.497 20 30 EDEDLO Cc1cnn(C[C@@H]2CN(C([O-])=[NH+][C@H]3CC[N@@H+](C4CC4)C3)CCO2)c1 ZINC000329308241 444529676 /nfs/dbraw/zinc/52/96/76/444529676.db2.gz QDKVREAAKNMFOW-HOCLYGCPSA-N 1 2 333.436 1.043 20 30 EDEDLO Cc1cnn(C[C@@H]2CN(C([O-])=[NH+][C@H]3CC[N@H+](C4CC4)C3)CCO2)c1 ZINC000329308241 444529680 /nfs/dbraw/zinc/52/96/80/444529680.db2.gz QDKVREAAKNMFOW-HOCLYGCPSA-N 1 2 333.436 1.043 20 30 EDEDLO O=S1(=O)CCC[C@@H]([NH+]=C([O-])N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000329409943 444568074 /nfs/dbraw/zinc/56/80/74/444568074.db2.gz XWPBYZAHNQUYET-GFCCVEGCSA-N 1 2 326.422 1.011 20 30 EDEDLO O=C(N[C@@H]1CCCS(=O)(=O)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000329409943 444568079 /nfs/dbraw/zinc/56/80/79/444568079.db2.gz XWPBYZAHNQUYET-GFCCVEGCSA-N 1 2 326.422 1.011 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1F ZINC000340912862 444572257 /nfs/dbraw/zinc/57/22/57/444572257.db2.gz SYRHBDHOWASOMJ-OAHLLOKOSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1cccc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1F ZINC000340912862 444572261 /nfs/dbraw/zinc/57/22/61/444572261.db2.gz SYRHBDHOWASOMJ-OAHLLOKOSA-N 1 2 337.420 1.697 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000332852994 444574006 /nfs/dbraw/zinc/57/40/06/444574006.db2.gz OLGIDFIPIBGVFV-KBPBESRZSA-N 1 2 341.477 1.084 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000332852994 444574008 /nfs/dbraw/zinc/57/40/08/444574008.db2.gz OLGIDFIPIBGVFV-KBPBESRZSA-N 1 2 341.477 1.084 20 30 EDEDLO Cc1c(C#N)cccc1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000338176347 444549462 /nfs/dbraw/zinc/54/94/62/444549462.db2.gz AJAUOOPRZVAERI-UHFFFAOYSA-N 1 2 327.388 1.976 20 30 EDEDLO CC#CCN(C)C(=O)[C@H]1CCC(=O)N(CCC)[C@@H]1c1c[nH+]cn1C ZINC000341012254 444631233 /nfs/dbraw/zinc/63/12/33/444631233.db2.gz WZOQJZCIQBJCKB-YOEHRIQHSA-N 1 2 330.432 1.592 20 30 EDEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329466266 444591652 /nfs/dbraw/zinc/59/16/52/444591652.db2.gz VNHQBTGBJIGZJA-HUUCEWRRSA-N 1 2 333.432 1.997 20 30 EDEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329466266 444591659 /nfs/dbraw/zinc/59/16/59/444591659.db2.gz VNHQBTGBJIGZJA-HUUCEWRRSA-N 1 2 333.432 1.997 20 30 EDEDLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343795413 444595920 /nfs/dbraw/zinc/59/59/20/444595920.db2.gz GNNSUCNSIRAGGM-UMVBOHGHSA-N 1 2 337.445 1.208 20 30 EDEDLO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343795413 444595921 /nfs/dbraw/zinc/59/59/21/444595921.db2.gz GNNSUCNSIRAGGM-UMVBOHGHSA-N 1 2 337.445 1.208 20 30 EDEDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)[C@]12CCCO2 ZINC000329507782 444608813 /nfs/dbraw/zinc/60/88/13/444608813.db2.gz JBRYEWPPMLGZDD-OIPACUDHSA-N 1 2 348.447 1.850 20 30 EDEDLO CO[C@](C)(CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C1CC1 ZINC000329613777 444649702 /nfs/dbraw/zinc/64/97/02/444649702.db2.gz KOCDDJINUROUIE-FRFSOERESA-N 1 2 325.453 1.511 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cn(C)nc1C1CC1 ZINC000329645685 444663206 /nfs/dbraw/zinc/66/32/06/444663206.db2.gz ZNSOXGNNNMAVEA-JSGCOSHPSA-N 1 2 333.436 1.638 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000329577035 444634658 /nfs/dbraw/zinc/63/46/58/444634658.db2.gz VYQAKPMPUPFUAA-PMPSAXMXSA-N 1 2 337.464 1.797 20 30 EDEDLO Cn1[nH]c(C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)nc1=O ZINC000329587012 444639293 /nfs/dbraw/zinc/63/92/93/444639293.db2.gz MQKRFNJQHRBIOI-UHFFFAOYSA-N 1 2 333.367 1.748 20 30 EDEDLO Cc1ccnn1-c1ccccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329750172 444700810 /nfs/dbraw/zinc/70/08/10/444700810.db2.gz HYTQLJWUXJKIMU-IAGOWNOFSA-N 1 2 341.415 1.741 20 30 EDEDLO Cc1ccnn1-c1ccccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329750172 444700815 /nfs/dbraw/zinc/70/08/15/444700815.db2.gz HYTQLJWUXJKIMU-IAGOWNOFSA-N 1 2 341.415 1.741 20 30 EDEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+]c1ccc(C(F)(F)F)nn1 ZINC000329831275 444733518 /nfs/dbraw/zinc/73/35/18/444733518.db2.gz KMXQRWUAQLNUKC-VIFPVBQESA-N 1 2 340.309 2.280 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)C[C@@H]21 ZINC000329925029 444770699 /nfs/dbraw/zinc/77/06/99/444770699.db2.gz HZRYDSXKAPKFTD-STQMWFEESA-N 1 2 338.795 1.784 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)C[C@@H]21 ZINC000329925029 444770702 /nfs/dbraw/zinc/77/07/02/444770702.db2.gz HZRYDSXKAPKFTD-STQMWFEESA-N 1 2 338.795 1.784 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3ccccc3SCC#N)C[C@H]21 ZINC000329929381 444773665 /nfs/dbraw/zinc/77/36/65/444773665.db2.gz NLCNNQGNRJWSKU-CABCVRRESA-N 1 2 346.456 1.905 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3ccccc3SCC#N)C[C@H]21 ZINC000329929381 444773670 /nfs/dbraw/zinc/77/36/70/444773670.db2.gz NLCNNQGNRJWSKU-CABCVRRESA-N 1 2 346.456 1.905 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cnn(-c4ccccc4F)c3)C[C@H]21 ZINC000329932680 444775399 /nfs/dbraw/zinc/77/53/99/444775399.db2.gz POJNYZOSBXMRCJ-HZPDHXFCSA-N 1 2 345.378 1.572 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cnn(-c4ccccc4F)c3)C[C@H]21 ZINC000329932680 444775401 /nfs/dbraw/zinc/77/54/01/444775401.db2.gz POJNYZOSBXMRCJ-HZPDHXFCSA-N 1 2 345.378 1.572 20 30 EDEDLO COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329945415 444781014 /nfs/dbraw/zinc/78/10/14/444781014.db2.gz FVLBYNBRWXKFNM-QRTARXTBSA-N 1 2 333.432 1.555 20 30 EDEDLO COc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329945415 444781017 /nfs/dbraw/zinc/78/10/17/444781017.db2.gz FVLBYNBRWXKFNM-QRTARXTBSA-N 1 2 333.432 1.555 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)n1cnc(C#N)n1 ZINC000341356049 444792971 /nfs/dbraw/zinc/79/29/71/444792971.db2.gz LURSAPDWWIPPQN-ZDUSSCGKSA-N 1 2 340.387 1.182 20 30 EDEDLO CCN1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329977567 444796768 /nfs/dbraw/zinc/79/67/68/444796768.db2.gz ZUNCWLUKPCFSNQ-OAGGEKHMSA-N 1 2 347.463 1.960 20 30 EDEDLO C=CCOc1cccnc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000341421217 444821078 /nfs/dbraw/zinc/82/10/78/444821078.db2.gz PODOUODUSMNMCG-HNNXBMFYSA-N 1 2 333.432 1.733 20 30 EDEDLO CO[C@@]1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCOC1 ZINC000330001389 444805937 /nfs/dbraw/zinc/80/59/37/444805937.db2.gz AGNLCOHDKKVBEP-KRWDZBQOSA-N 1 2 346.387 1.793 20 30 EDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000330001469 444805941 /nfs/dbraw/zinc/80/59/41/444805941.db2.gz XYVUCJSQPKSGHB-ZSHCYNCHSA-N 1 2 330.432 1.958 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCCCC1 ZINC000330001668 444806027 /nfs/dbraw/zinc/80/60/27/444806027.db2.gz YDVIYJBLVGRKSY-HNNXBMFYSA-N 1 2 325.478 1.960 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCCCC1 ZINC000330001668 444806028 /nfs/dbraw/zinc/80/60/28/444806028.db2.gz YDVIYJBLVGRKSY-HNNXBMFYSA-N 1 2 325.478 1.960 20 30 EDEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1(C)C ZINC000329965557 444790975 /nfs/dbraw/zinc/79/09/75/444790975.db2.gz RFYGUEQIDDERJH-APIJFGDWSA-N 1 2 349.479 1.682 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1)C1CC1 ZINC000330225658 444895578 /nfs/dbraw/zinc/89/55/78/444895578.db2.gz BEUGCNHEYXAMQH-SJKOYZFVSA-N 1 2 328.420 1.887 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1)C1CC1 ZINC000330225658 444895582 /nfs/dbraw/zinc/89/55/82/444895582.db2.gz BEUGCNHEYXAMQH-SJKOYZFVSA-N 1 2 328.420 1.887 20 30 EDEDLO C[C@H]1C(=O)NCCN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330241573 444903239 /nfs/dbraw/zinc/90/32/39/444903239.db2.gz JCGGFZPDZTWKPD-NSHDSACASA-N 1 2 337.449 1.988 20 30 EDEDLO COc1ccc(NC(=O)CN2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c(OC)c1 ZINC000330242153 444903559 /nfs/dbraw/zinc/90/35/59/444903559.db2.gz CASHRDNWXRMDHH-GDBMZVCRSA-N 1 2 335.404 1.307 20 30 EDEDLO COc1ccc(NC(=O)CN2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(OC)c1 ZINC000330242153 444903561 /nfs/dbraw/zinc/90/35/61/444903561.db2.gz CASHRDNWXRMDHH-GDBMZVCRSA-N 1 2 335.404 1.307 20 30 EDEDLO [O-]C(=[NH+]C1CCN(c2cccnn2)CC1)N1CCn2cc[nH+]c2C1 ZINC000330244633 444904645 /nfs/dbraw/zinc/90/46/45/444904645.db2.gz DHSURPYGAGBQNV-UHFFFAOYSA-N 1 2 327.392 1.072 20 30 EDEDLO C[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330263936 444913926 /nfs/dbraw/zinc/91/39/26/444913926.db2.gz XGDSEVNTFYXWEF-ZDUSSCGKSA-N 1 2 342.465 1.135 20 30 EDEDLO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000330263936 444913931 /nfs/dbraw/zinc/91/39/31/444913931.db2.gz XGDSEVNTFYXWEF-ZDUSSCGKSA-N 1 2 342.465 1.135 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@H]21 ZINC000330291045 444924777 /nfs/dbraw/zinc/92/47/77/444924777.db2.gz GHCSEYKKAIIIRG-PBHICJAKSA-N 1 2 347.415 1.451 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@H]21 ZINC000330291045 444924782 /nfs/dbraw/zinc/92/47/82/444924782.db2.gz GHCSEYKKAIIIRG-PBHICJAKSA-N 1 2 347.415 1.451 20 30 EDEDLO CN1CCO[C@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@H]21 ZINC000330291045 444924784 /nfs/dbraw/zinc/92/47/84/444924784.db2.gz GHCSEYKKAIIIRG-PBHICJAKSA-N 1 2 347.415 1.451 20 30 EDEDLO CN1CCO[C@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@H]21 ZINC000330291045 444924790 /nfs/dbraw/zinc/92/47/90/444924790.db2.gz GHCSEYKKAIIIRG-PBHICJAKSA-N 1 2 347.415 1.451 20 30 EDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@H]1CCCN(c2ncccn2)C1 ZINC000330191955 444880191 /nfs/dbraw/zinc/88/01/91/444880191.db2.gz XLJDPKOZWKLUEC-KGLIPLIRSA-N 1 2 341.419 1.161 20 30 EDEDLO [O-]C(N[C@H]1CCCN(c2ncccn2)C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330191955 444880197 /nfs/dbraw/zinc/88/01/97/444880197.db2.gz XLJDPKOZWKLUEC-KGLIPLIRSA-N 1 2 341.419 1.161 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)N2CC[C@H](O)C23CCCC3)CCO1 ZINC000330356761 444951229 /nfs/dbraw/zinc/95/12/29/444951229.db2.gz SAIMGVRYCCMENR-AWEZNQCLSA-N 1 2 325.453 1.391 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)N2CC[C@H](O)C23CCCC3)CCO1 ZINC000330356761 444951233 /nfs/dbraw/zinc/95/12/33/444951233.db2.gz SAIMGVRYCCMENR-AWEZNQCLSA-N 1 2 325.453 1.391 20 30 EDEDLO O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330307016 444930938 /nfs/dbraw/zinc/93/09/38/444930938.db2.gz LRADNIACTGAHHG-RWMBFGLXSA-N 1 2 330.388 1.330 20 30 EDEDLO C[C@](O)(CNC(=O)c1cc(O)ccc1Cl)C[NH+]1CCOCC1 ZINC000330546991 445029736 /nfs/dbraw/zinc/02/97/36/445029736.db2.gz VLMZXQQFSOECAN-HNNXBMFYSA-N 1 2 328.796 1.433 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337422658 445073516 /nfs/dbraw/zinc/07/35/16/445073516.db2.gz VGHZQJYWXKSODR-CABCVRRESA-N 1 2 330.494 1.699 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337422658 445073519 /nfs/dbraw/zinc/07/35/19/445073519.db2.gz VGHZQJYWXKSODR-CABCVRRESA-N 1 2 330.494 1.699 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000330761760 445130759 /nfs/dbraw/zinc/13/07/59/445130759.db2.gz NPZWYABPNPDFOM-NWDGAFQWSA-N 1 2 326.441 1.194 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000330761760 445130763 /nfs/dbraw/zinc/13/07/63/445130763.db2.gz NPZWYABPNPDFOM-NWDGAFQWSA-N 1 2 326.441 1.194 20 30 EDEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)[nH]1 ZINC000330724387 445113714 /nfs/dbraw/zinc/11/37/14/445113714.db2.gz GUKLZKLTORZNPF-MRRJBJDNSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)[nH]1 ZINC000330724387 445113717 /nfs/dbraw/zinc/11/37/17/445113717.db2.gz GUKLZKLTORZNPF-MRRJBJDNSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)n1 ZINC000330724387 445113721 /nfs/dbraw/zinc/11/37/21/445113721.db2.gz GUKLZKLTORZNPF-MRRJBJDNSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)n1 ZINC000330724387 445113724 /nfs/dbraw/zinc/11/37/24/445113724.db2.gz GUKLZKLTORZNPF-MRRJBJDNSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)n[nH]1 ZINC000330724387 445113728 /nfs/dbraw/zinc/11/37/28/445113728.db2.gz GUKLZKLTORZNPF-MRRJBJDNSA-N 1 2 332.452 1.736 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)n[nH]1 ZINC000330724387 445113732 /nfs/dbraw/zinc/11/37/32/445113732.db2.gz GUKLZKLTORZNPF-MRRJBJDNSA-N 1 2 332.452 1.736 20 30 EDEDLO C=CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000339921488 445183030 /nfs/dbraw/zinc/18/30/30/445183030.db2.gz YQZVHNYGYJIANN-MRXNPFEDSA-N 1 2 345.424 1.688 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2ccnc(C#N)c2)CC1)C1CCCCC1 ZINC000342058547 445149214 /nfs/dbraw/zinc/14/92/14/445149214.db2.gz HDSQYYOFZMSDTR-UHFFFAOYSA-N 1 2 341.459 1.866 20 30 EDEDLO C[C@H](C[NH+]1CCN(c2cccc(F)c2C#N)CC1)CS(C)(=O)=O ZINC000330952754 445200512 /nfs/dbraw/zinc/20/05/12/445200512.db2.gz QZFIBGRKFHHNPO-CYBMUJFWSA-N 1 2 339.436 1.500 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3ccccc3cc2CO)CC1 ZINC000346678703 445222592 /nfs/dbraw/zinc/22/25/92/445222592.db2.gz UEELZVMMUZPWPY-UHFFFAOYSA-N 1 2 340.427 1.151 20 30 EDEDLO Cc1nc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cs1 ZINC000348319213 445254715 /nfs/dbraw/zinc/25/47/15/445254715.db2.gz KWLNKTCKJCPNOD-CZUORRHYSA-N 1 2 349.504 1.795 20 30 EDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000343599485 445257776 /nfs/dbraw/zinc/25/77/76/445257776.db2.gz NZTRZJQNHCJQNR-CVEARBPZSA-N 1 2 344.459 1.911 20 30 EDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000343599485 445257778 /nfs/dbraw/zinc/25/77/78/445257778.db2.gz NZTRZJQNHCJQNR-CVEARBPZSA-N 1 2 344.459 1.911 20 30 EDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000362423831 445373799 /nfs/dbraw/zinc/37/37/99/445373799.db2.gz CHMLTKRVLZPVHS-HNNXBMFYSA-N 1 2 340.345 1.894 20 30 EDEDLO CC[N@H+]1CCOC[C@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000362423831 445373801 /nfs/dbraw/zinc/37/38/01/445373801.db2.gz CHMLTKRVLZPVHS-HNNXBMFYSA-N 1 2 340.345 1.894 20 30 EDEDLO Cn1ncc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1C#N ZINC000355791807 445480910 /nfs/dbraw/zinc/48/09/10/445480910.db2.gz JNRJXEZIPAPQNW-UHFFFAOYSA-N 1 2 338.415 1.997 20 30 EDEDLO Cc1cc(N2CCN(S(=O)(=O)[C@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC000352406111 445526920 /nfs/dbraw/zinc/52/69/20/445526920.db2.gz LBMYMODBBZROBT-CYBMUJFWSA-N 1 2 337.449 1.272 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000352814553 445557084 /nfs/dbraw/zinc/55/70/84/445557084.db2.gz IQNTXKFUUJYYEU-BPLDGKMQSA-N 1 2 349.456 1.711 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000352814553 445557088 /nfs/dbraw/zinc/55/70/88/445557088.db2.gz IQNTXKFUUJYYEU-BPLDGKMQSA-N 1 2 349.456 1.711 20 30 EDEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1COC[C@@H]1O ZINC000352814292 445557096 /nfs/dbraw/zinc/55/70/96/445557096.db2.gz GYGUWDPCGRYMOJ-WMZOPIPTSA-N 1 2 327.384 1.429 20 30 EDEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1COC[C@@H]1O ZINC000352814292 445557098 /nfs/dbraw/zinc/55/70/98/445557098.db2.gz GYGUWDPCGRYMOJ-WMZOPIPTSA-N 1 2 327.384 1.429 20 30 EDEDLO C=CCSc1ccccc1C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000362843238 445577676 /nfs/dbraw/zinc/57/76/76/445577676.db2.gz OUDRSIZXZIRZAS-AWEZNQCLSA-N 1 2 336.457 1.388 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000352696082 445549236 /nfs/dbraw/zinc/54/92/36/445549236.db2.gz ZODNMECBUUNRMM-UHFFFAOYSA-N 1 2 336.367 1.154 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360286477 445677200 /nfs/dbraw/zinc/67/72/00/445677200.db2.gz OSKMLIXRTTXEPY-CVEARBPZSA-N 1 2 328.416 1.321 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360286477 445677201 /nfs/dbraw/zinc/67/72/01/445677201.db2.gz OSKMLIXRTTXEPY-CVEARBPZSA-N 1 2 328.416 1.321 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363121910 445686862 /nfs/dbraw/zinc/68/68/62/445686862.db2.gz HTWUTYDDFLPVEF-UHFFFAOYSA-N 1 2 330.432 1.363 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363121910 445686865 /nfs/dbraw/zinc/68/68/65/445686865.db2.gz HTWUTYDDFLPVEF-UHFFFAOYSA-N 1 2 330.432 1.363 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC000363265343 445745646 /nfs/dbraw/zinc/74/56/46/445745646.db2.gz BKRRGOCWEBUZPF-INIZCTEOSA-N 1 2 347.390 1.204 20 30 EDEDLO C=CCCCNC(=O)N(C)C[C@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000350041467 445755928 /nfs/dbraw/zinc/75/59/28/445755928.db2.gz MSLZWBMIJYZARD-JKSUJKDBSA-N 1 2 337.443 1.940 20 30 EDEDLO C=CCCCNC(=O)N(C)C[C@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000350041467 445755932 /nfs/dbraw/zinc/75/59/32/445755932.db2.gz MSLZWBMIJYZARD-JKSUJKDBSA-N 1 2 337.443 1.940 20 30 EDEDLO COc1cc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)ccc1C#N ZINC000358952439 445862564 /nfs/dbraw/zinc/86/25/64/445862564.db2.gz LSPIVASOZHITNC-QGZVFWFLSA-N 1 2 343.427 1.826 20 30 EDEDLO COc1cc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)ccc1C#N ZINC000358952439 445862568 /nfs/dbraw/zinc/86/25/68/445862568.db2.gz LSPIVASOZHITNC-QGZVFWFLSA-N 1 2 343.427 1.826 20 30 EDEDLO N#Cc1ccc(CN2CC[N@@H+](CC[C@@H]3CCOC3=O)CC2=O)cc1 ZINC000365924850 445909674 /nfs/dbraw/zinc/90/96/74/445909674.db2.gz NQARFCRMLXFREE-MRXNPFEDSA-N 1 2 327.384 1.156 20 30 EDEDLO N#Cc1ccc(CN2CC[N@H+](CC[C@@H]3CCOC3=O)CC2=O)cc1 ZINC000365924850 445909683 /nfs/dbraw/zinc/90/96/83/445909683.db2.gz NQARFCRMLXFREE-MRXNPFEDSA-N 1 2 327.384 1.156 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366449260 446219848 /nfs/dbraw/zinc/21/98/48/446219848.db2.gz VUIIGLFQWRHFNW-LSDHHAIUSA-N 1 2 343.493 1.284 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366449260 446219854 /nfs/dbraw/zinc/21/98/54/446219854.db2.gz VUIIGLFQWRHFNW-LSDHHAIUSA-N 1 2 343.493 1.284 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@]2(CCOC2)O1 ZINC000366571861 446265340 /nfs/dbraw/zinc/26/53/40/446265340.db2.gz LMIVNKRTABDTLI-QFBILLFUSA-N 1 2 349.475 1.941 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@]2(CCOC2)O1 ZINC000366571861 446265343 /nfs/dbraw/zinc/26/53/43/446265343.db2.gz LMIVNKRTABDTLI-QFBILLFUSA-N 1 2 349.475 1.941 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000373592491 446274896 /nfs/dbraw/zinc/27/48/96/446274896.db2.gz KCOQMZVUSHNCTR-UHFFFAOYSA-N 1 2 338.346 2.188 20 30 EDEDLO CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000367040447 446482648 /nfs/dbraw/zinc/48/26/48/446482648.db2.gz JOLRCTFRBZHXRW-LSDHHAIUSA-N 1 2 338.371 1.859 20 30 EDEDLO CC(C)(CNC(=O)[C@]1(C#N)CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000367583928 446565215 /nfs/dbraw/zinc/56/52/15/446565215.db2.gz UFSHAKMHSHFTMQ-HXUWFJFHSA-N 1 2 341.455 1.912 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000433118700 446533537 /nfs/dbraw/zinc/53/35/37/446533537.db2.gz YNGCDOTUQDBWEU-AWEZNQCLSA-N 1 2 341.415 1.509 20 30 EDEDLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N(C)CC(C)(C)C#N ZINC000433303393 446554505 /nfs/dbraw/zinc/55/45/05/446554505.db2.gz LBZDKZZUYCCSQO-HNNXBMFYSA-N 1 2 329.448 1.600 20 30 EDEDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N1CC(C)(C#N)C1 ZINC000435931547 446714349 /nfs/dbraw/zinc/71/43/49/446714349.db2.gz XEAVOIGFODYNNM-UHFFFAOYSA-N 1 2 335.429 1.008 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(C(=O)c3cccc(F)c3C#N)CC2)C(=O)C1 ZINC000376906156 446788751 /nfs/dbraw/zinc/78/87/51/446788751.db2.gz DSIBDIUIROPGNQ-UHFFFAOYSA-N 1 2 344.390 1.076 20 30 EDEDLO C[N@H+]1CCN(C2CCN(C(=O)c3cccc(F)c3C#N)CC2)C(=O)C1 ZINC000376906156 446788755 /nfs/dbraw/zinc/78/87/55/446788755.db2.gz DSIBDIUIROPGNQ-UHFFFAOYSA-N 1 2 344.390 1.076 20 30 EDEDLO COC(=O)[C@@H]1CSCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000412061105 446822595 /nfs/dbraw/zinc/82/25/95/446822595.db2.gz AKDHAYMOFADBOC-ZDUSSCGKSA-N 1 2 333.413 1.335 20 30 EDEDLO COC(=O)[C@@H]1CSCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000412061105 446822601 /nfs/dbraw/zinc/82/26/01/446822601.db2.gz AKDHAYMOFADBOC-ZDUSSCGKSA-N 1 2 333.413 1.335 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412094416 446854667 /nfs/dbraw/zinc/85/46/67/446854667.db2.gz DZWFEMKLLYTDTH-IXPVHAAZSA-N 1 2 337.807 1.214 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412094416 446854672 /nfs/dbraw/zinc/85/46/72/446854672.db2.gz DZWFEMKLLYTDTH-IXPVHAAZSA-N 1 2 337.807 1.214 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2cc(OCC)ccc2C1 ZINC000441058045 446862534 /nfs/dbraw/zinc/86/25/34/446862534.db2.gz DRCZQFCIOXWJSF-ZDUSSCGKSA-N 1 2 331.416 1.844 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2cc(OCC)ccc2C1 ZINC000441058045 446862538 /nfs/dbraw/zinc/86/25/38/446862538.db2.gz DRCZQFCIOXWJSF-ZDUSSCGKSA-N 1 2 331.416 1.844 20 30 EDEDLO N#C[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CCN1C1CC1 ZINC000371622790 446939229 /nfs/dbraw/zinc/93/92/29/446939229.db2.gz XYLSJWFKRNXLOR-MRXNPFEDSA-N 1 2 338.415 1.259 20 30 EDEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000371782172 446964199 /nfs/dbraw/zinc/96/41/99/446964199.db2.gz UCBQMQOWDLFQDH-QRVBRYPASA-N 1 2 329.444 1.451 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000375791900 447051433 /nfs/dbraw/zinc/05/14/33/447051433.db2.gz ZDTDWYXJTIDBLR-CYBMUJFWSA-N 1 2 335.326 1.176 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000375791900 447051435 /nfs/dbraw/zinc/05/14/35/447051435.db2.gz ZDTDWYXJTIDBLR-CYBMUJFWSA-N 1 2 335.326 1.176 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000413266261 447103880 /nfs/dbraw/zinc/10/38/80/447103880.db2.gz OFEDUFXQGXHHCP-ROUUACIJSA-N 1 2 330.476 1.719 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000413266261 447103886 /nfs/dbraw/zinc/10/38/86/447103886.db2.gz OFEDUFXQGXHHCP-ROUUACIJSA-N 1 2 330.476 1.719 20 30 EDEDLO C=CCNc1ncc(C(=O)N2CC[NH+](C(C)(C)COC)CC2)s1 ZINC000425328311 447116360 /nfs/dbraw/zinc/11/63/60/447116360.db2.gz UASPFLPMZHUQEN-UHFFFAOYSA-N 1 2 338.477 1.924 20 30 EDEDLO C=CCCN(C)C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000444150367 447080709 /nfs/dbraw/zinc/08/07/09/447080709.db2.gz HWXLNSUCVKWJKO-UHFFFAOYSA-N 1 2 325.453 1.474 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(S(=O)(=O)Cc1ccc(C#N)cc1)C2 ZINC000377364697 447091697 /nfs/dbraw/zinc/09/16/97/447091697.db2.gz XENORBNELDQAMI-UHFFFAOYSA-N 1 2 330.413 1.717 20 30 EDEDLO N#Cc1cc(F)c(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000446110868 447234168 /nfs/dbraw/zinc/23/41/68/447234168.db2.gz CVTNPELVASKAEQ-UHFFFAOYSA-N 1 2 331.326 1.518 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)cn1 ZINC000455909436 447255697 /nfs/dbraw/zinc/25/56/97/447255697.db2.gz BMLXADFNZTYRLS-UHFFFAOYSA-N 1 2 338.415 1.836 20 30 EDEDLO Cc1cccc(-n2nnnc2SC[C@@H](O)C[N@H+](C)CCC#N)c1C ZINC000414095250 447274377 /nfs/dbraw/zinc/27/43/77/447274377.db2.gz JZCUQVMPDHMTAZ-AWEZNQCLSA-N 1 2 346.460 1.578 20 30 EDEDLO Cc1cccc(-n2nnnc2SC[C@@H](O)C[N@@H+](C)CCC#N)c1C ZINC000414095250 447274381 /nfs/dbraw/zinc/27/43/81/447274381.db2.gz JZCUQVMPDHMTAZ-AWEZNQCLSA-N 1 2 346.460 1.578 20 30 EDEDLO CSCC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414143991 447276218 /nfs/dbraw/zinc/27/62/18/447276218.db2.gz NWYXQDIOHVFKAM-CQSZACIVSA-N 1 2 337.445 1.573 20 30 EDEDLO CSCC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414143991 447276223 /nfs/dbraw/zinc/27/62/23/447276223.db2.gz NWYXQDIOHVFKAM-CQSZACIVSA-N 1 2 337.445 1.573 20 30 EDEDLO C=C(C)CNC(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000448011362 447301414 /nfs/dbraw/zinc/30/14/14/447301414.db2.gz PKVXKDODQXOYCV-CQSZACIVSA-N 1 2 341.452 1.246 20 30 EDEDLO C=C(C)CNC(=O)N1CCO[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000448011362 447301418 /nfs/dbraw/zinc/30/14/18/447301418.db2.gz PKVXKDODQXOYCV-CQSZACIVSA-N 1 2 341.452 1.246 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428468834 447703023 /nfs/dbraw/zinc/70/30/23/447703023.db2.gz QKLRYJBAGQDYJE-CYBMUJFWSA-N 1 2 330.407 1.482 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451272893 447721516 /nfs/dbraw/zinc/72/15/16/447721516.db2.gz WBKJMWRIOOULHT-KYJSFNMBSA-N 1 2 333.407 1.547 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451272893 447721519 /nfs/dbraw/zinc/72/15/19/447721519.db2.gz WBKJMWRIOOULHT-KYJSFNMBSA-N 1 2 333.407 1.547 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429357372 447742714 /nfs/dbraw/zinc/74/27/14/447742714.db2.gz YMCVUXBCZFYMKB-HUUCEWRRSA-N 1 2 336.480 1.716 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451861463 447765684 /nfs/dbraw/zinc/76/56/84/447765684.db2.gz AKCHJXZXTTYQIB-DZGCQCFKSA-N 1 2 348.413 1.857 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451861463 447765689 /nfs/dbraw/zinc/76/56/89/447765689.db2.gz AKCHJXZXTTYQIB-DZGCQCFKSA-N 1 2 348.413 1.857 20 30 EDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000489439012 447857221 /nfs/dbraw/zinc/85/72/21/447857221.db2.gz NBSHVSLQZLRYTH-LBPRGKRZSA-N 1 2 334.420 1.410 20 30 EDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000489439012 447857229 /nfs/dbraw/zinc/85/72/29/447857229.db2.gz NBSHVSLQZLRYTH-LBPRGKRZSA-N 1 2 334.420 1.410 20 30 EDEDLO C=CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000548951748 447857420 /nfs/dbraw/zinc/85/74/20/447857420.db2.gz JHIBCZXVEWHNOX-HNNXBMFYSA-N 1 2 340.431 1.690 20 30 EDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000491164462 447945026 /nfs/dbraw/zinc/94/50/26/447945026.db2.gz BZOSOBFMJIPBAA-AWEZNQCLSA-N 1 2 328.478 1.146 20 30 EDEDLO C#CC(C)(C)[N@H+](C)CC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000491164462 447945030 /nfs/dbraw/zinc/94/50/30/447945030.db2.gz BZOSOBFMJIPBAA-AWEZNQCLSA-N 1 2 328.478 1.146 20 30 EDEDLO COc1cccc(C(F)(F)C[NH2+]C[C@H]2CNc3c(C#N)cnn3C2)n1 ZINC000575923290 447929239 /nfs/dbraw/zinc/92/92/39/447929239.db2.gz BNSQAOFWKIQJKK-NSHDSACASA-N 1 2 348.357 1.582 20 30 EDEDLO C[N@@H+]1CCO[C@@H](C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)C1 ZINC000531052557 448008924 /nfs/dbraw/zinc/00/89/24/448008924.db2.gz MDGNGQJEZJDWSY-MRXNPFEDSA-N 1 2 331.372 1.035 20 30 EDEDLO C[N@H+]1CCO[C@@H](C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)C1 ZINC000531052557 448008929 /nfs/dbraw/zinc/00/89/29/448008929.db2.gz MDGNGQJEZJDWSY-MRXNPFEDSA-N 1 2 331.372 1.035 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)Cc1ccccc1S(C)(=O)=O ZINC000491252971 447973407 /nfs/dbraw/zinc/97/34/07/447973407.db2.gz KXXXGWAPZVYMEZ-OAHLLOKOSA-N 1 2 335.425 1.273 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cc1ccccc1S(C)(=O)=O ZINC000491252971 447973410 /nfs/dbraw/zinc/97/34/10/447973410.db2.gz KXXXGWAPZVYMEZ-OAHLLOKOSA-N 1 2 335.425 1.273 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCc2cccc(O)c21 ZINC000576449471 448057247 /nfs/dbraw/zinc/05/72/47/448057247.db2.gz UNDWJMBJLKRORV-INIZCTEOSA-N 1 2 343.427 1.496 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000491651272 448070804 /nfs/dbraw/zinc/07/08/04/448070804.db2.gz FWPOIOOBGJCMSS-QGZVFWFLSA-N 1 2 335.398 1.783 20 30 EDEDLO C#CCn1ccc(CN(CCOC)c2cc(N3CCCC3)[nH+]cn2)n1 ZINC000491652550 448071333 /nfs/dbraw/zinc/07/13/33/448071333.db2.gz ACRLTHZQVXXZQX-UHFFFAOYSA-N 1 2 340.431 1.560 20 30 EDEDLO C#CCn1ccc(CN(CCOC)c2cc(N3CCCC3)nc[nH+]2)n1 ZINC000491652550 448071335 /nfs/dbraw/zinc/07/13/35/448071335.db2.gz ACRLTHZQVXXZQX-UHFFFAOYSA-N 1 2 340.431 1.560 20 30 EDEDLO C#CCN(C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1)C1CC1 ZINC000491655920 448073861 /nfs/dbraw/zinc/07/38/61/448073861.db2.gz SBWOTKZPDCYYSZ-UHFFFAOYSA-N 1 2 328.412 1.686 20 30 EDEDLO C#CCN(C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1)C1CC1 ZINC000491655920 448073867 /nfs/dbraw/zinc/07/38/67/448073867.db2.gz SBWOTKZPDCYYSZ-UHFFFAOYSA-N 1 2 328.412 1.686 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2noc(C)c2C(=O)OCC)CC1 ZINC000491736688 448093933 /nfs/dbraw/zinc/09/39/33/448093933.db2.gz UYPDBHDPJVNDKV-UHFFFAOYSA-N 1 2 333.388 1.121 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)n1 ZINC000491737869 448094223 /nfs/dbraw/zinc/09/42/23/448094223.db2.gz OMBHBKNNMDTXTM-INIZCTEOSA-N 1 2 340.431 1.933 20 30 EDEDLO COc1ccc(C[NH+]2CCN(C(=O)CN3CC(C)(C#N)C3)CC2)cc1 ZINC000571103635 448108825 /nfs/dbraw/zinc/10/88/25/448108825.db2.gz FNHJVOFBOGRMRG-UHFFFAOYSA-N 1 2 342.443 1.185 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000531588157 448111582 /nfs/dbraw/zinc/11/15/82/448111582.db2.gz JAECHZHJZVSXLO-ZDUSSCGKSA-N 1 2 346.353 1.686 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000531588157 448111587 /nfs/dbraw/zinc/11/15/87/448111587.db2.gz JAECHZHJZVSXLO-ZDUSSCGKSA-N 1 2 346.353 1.686 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000491806706 448135162 /nfs/dbraw/zinc/13/51/62/448135162.db2.gz AQMWBIMYPWGGAN-FUHWJXTLSA-N 1 2 329.444 1.593 20 30 EDEDLO C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)Cc1c[nH+]cn1C ZINC000507525566 448144625 /nfs/dbraw/zinc/14/46/25/448144625.db2.gz CYFIMLUHFIHFNW-UHFFFAOYSA-N 1 2 344.400 1.234 20 30 EDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000527128478 448166387 /nfs/dbraw/zinc/16/63/87/448166387.db2.gz KBGCRULNGGDIPU-HNNXBMFYSA-N 1 2 326.400 1.286 20 30 EDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000527128478 448166394 /nfs/dbraw/zinc/16/63/94/448166394.db2.gz KBGCRULNGGDIPU-HNNXBMFYSA-N 1 2 326.400 1.286 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N(CCC#N)C(C)C)ccc2n1C ZINC000527354157 448214623 /nfs/dbraw/zinc/21/46/23/448214623.db2.gz AXXGLHHRPBONRK-UHFFFAOYSA-N 1 2 327.388 1.971 20 30 EDEDLO CC(C)CO[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000532346828 448242291 /nfs/dbraw/zinc/24/22/91/448242291.db2.gz RLABVAWASJKXRJ-IRXDYDNUSA-N 1 2 341.411 1.937 20 30 EDEDLO CC(C)CO[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000532346828 448242293 /nfs/dbraw/zinc/24/22/93/448242293.db2.gz RLABVAWASJKXRJ-IRXDYDNUSA-N 1 2 341.411 1.937 20 30 EDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1-c1cccc(F)c1 ZINC000582549935 448271801 /nfs/dbraw/zinc/27/18/01/448271801.db2.gz KVAUZQFKGFOIPE-KRWDZBQOSA-N 1 2 329.379 1.894 20 30 EDEDLO N#Cc1nccc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000582555772 448273704 /nfs/dbraw/zinc/27/37/04/448273704.db2.gz FONJINQXPNPYLW-UHFFFAOYSA-N 1 2 337.383 1.442 20 30 EDEDLO N#CCc1ccc(CS(=O)(=O)NCCNc2cccc[nH+]2)cc1 ZINC000563064088 448283952 /nfs/dbraw/zinc/28/39/52/448283952.db2.gz WEYBKEVOECQOJL-UHFFFAOYSA-N 1 2 330.413 1.679 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000582782990 448337476 /nfs/dbraw/zinc/33/74/76/448337476.db2.gz QDSCXVBISYKISS-FVQBIDKESA-N 1 2 325.478 1.637 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000582782990 448337481 /nfs/dbraw/zinc/33/74/81/448337481.db2.gz QDSCXVBISYKISS-FVQBIDKESA-N 1 2 325.478 1.637 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3cn[nH]c3C2)cc1 ZINC000572594827 448417020 /nfs/dbraw/zinc/41/70/20/448417020.db2.gz GMUJSZCJJKHWOP-AWEZNQCLSA-N 1 2 330.413 1.202 20 30 EDEDLO C=C[C@H]1CCCCN1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000578004175 448434784 /nfs/dbraw/zinc/43/47/84/448434784.db2.gz CKXYPYZOKKCMMP-KRWDZBQOSA-N 1 2 348.491 1.681 20 30 EDEDLO COc1cc(C[N@H+](CCC#N)C(C)C)cc(OC)c1OCC(N)=O ZINC000535077052 448485219 /nfs/dbraw/zinc/48/52/19/448485219.db2.gz IGMLTLUQPZNUTJ-UHFFFAOYSA-N 1 2 335.404 1.692 20 30 EDEDLO COc1cc(C[N@@H+](CCC#N)C(C)C)cc(OC)c1OCC(N)=O ZINC000535077052 448485225 /nfs/dbraw/zinc/48/52/25/448485225.db2.gz IGMLTLUQPZNUTJ-UHFFFAOYSA-N 1 2 335.404 1.692 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000573558229 448657164 /nfs/dbraw/zinc/65/71/64/448657164.db2.gz JJUNYUVOUNUKEP-HOTGVXAUSA-N 1 2 346.431 1.309 20 30 EDEDLO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C)(C#N)CC3)C2=O)cn1 ZINC000541859057 448696753 /nfs/dbraw/zinc/69/67/53/448696753.db2.gz VPWYHSJATJPBLV-ZDUSSCGKSA-N 1 2 328.372 1.348 20 30 EDEDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CC[C@](O)(CC#N)C3)c2c1 ZINC000592151080 448711915 /nfs/dbraw/zinc/71/19/15/448711915.db2.gz KFBILLSHNRCMNW-GOSISDBHSA-N 1 2 341.367 1.488 20 30 EDEDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CC[C@](O)(CC#N)C3)c2c1 ZINC000592151080 448711918 /nfs/dbraw/zinc/71/19/18/448711918.db2.gz KFBILLSHNRCMNW-GOSISDBHSA-N 1 2 341.367 1.488 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1C#N ZINC000544878353 448771420 /nfs/dbraw/zinc/77/14/20/448771420.db2.gz DTXQGARBOROCEY-CQSZACIVSA-N 1 2 342.399 1.381 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1C#N ZINC000544878353 448771423 /nfs/dbraw/zinc/77/14/23/448771423.db2.gz DTXQGARBOROCEY-CQSZACIVSA-N 1 2 342.399 1.381 20 30 EDEDLO C[C@H]1CN(c2ccc(CNc3ccc(C#N)c(N)n3)c[nH+]2)C[C@H](C)O1 ZINC000519552914 448785219 /nfs/dbraw/zinc/78/52/19/448785219.db2.gz NLYCQVPYWIJZGK-STQMWFEESA-N 1 2 338.415 2.156 20 30 EDEDLO N#CC1(CS(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CCC1 ZINC000574081088 448786811 /nfs/dbraw/zinc/78/68/11/448786811.db2.gz GKEYJVYCCFPZMX-CABCVRRESA-N 1 2 341.477 1.243 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587036186 448833489 /nfs/dbraw/zinc/83/34/89/448833489.db2.gz MPKOCIURFLDMSU-ZDUSSCGKSA-N 1 2 326.356 1.273 20 30 EDEDLO C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000574312826 448842452 /nfs/dbraw/zinc/84/24/52/448842452.db2.gz NSQVUXJESIBMDV-GDBMZVCRSA-N 1 2 343.431 1.517 20 30 EDEDLO C[C@@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000574312826 448842457 /nfs/dbraw/zinc/84/24/57/448842457.db2.gz NSQVUXJESIBMDV-GDBMZVCRSA-N 1 2 343.431 1.517 20 30 EDEDLO C[C@@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000574312826 448842464 /nfs/dbraw/zinc/84/24/64/448842464.db2.gz NSQVUXJESIBMDV-GDBMZVCRSA-N 1 2 343.431 1.517 20 30 EDEDLO CC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@H](C)CS(=O)(=O)CC ZINC000568632227 448899917 /nfs/dbraw/zinc/89/99/17/448899917.db2.gz MRJGTJILJIGNEX-GFCCVEGCSA-N 1 2 335.433 1.246 20 30 EDEDLO CC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H](C)CS(=O)(=O)CC ZINC000568632227 448899921 /nfs/dbraw/zinc/89/99/21/448899921.db2.gz MRJGTJILJIGNEX-GFCCVEGCSA-N 1 2 335.433 1.246 20 30 EDEDLO Cc1nc(N)c(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c[nH+]1 ZINC000574574431 448906338 /nfs/dbraw/zinc/90/63/38/448906338.db2.gz DTMBNZWWQNYRIV-MRXNPFEDSA-N 1 2 333.392 1.245 20 30 EDEDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@H](C)n2cnc(C#N)n2)c1 ZINC000574695175 448935407 /nfs/dbraw/zinc/93/54/07/448935407.db2.gz ZSJVVXAOUBRWAC-LBPRGKRZSA-N 1 2 336.359 1.371 20 30 EDEDLO C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000579939225 448913890 /nfs/dbraw/zinc/91/38/90/448913890.db2.gz QUZYOHOOUNHGSH-LLVKDONJSA-N 1 2 332.385 1.074 20 30 EDEDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[NH2+][C@@H]3CCC[C@@H]3C#N)n12 ZINC000589163654 448980996 /nfs/dbraw/zinc/98/09/96/448980996.db2.gz AOCXXTPKCZJWJU-TZMCWYRMSA-N 1 2 336.399 1.672 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ncccn3)CC2)cc1 ZINC000582274984 449052946 /nfs/dbraw/zinc/05/29/46/449052946.db2.gz PWYGNRHYRQTFPJ-UHFFFAOYSA-N 1 2 335.411 1.625 20 30 EDEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000548498898 449053036 /nfs/dbraw/zinc/05/30/36/449053036.db2.gz MQBHVUCKLFPPDN-INIZCTEOSA-N 1 2 327.384 1.567 20 30 EDEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000548498898 449053039 /nfs/dbraw/zinc/05/30/39/449053039.db2.gz MQBHVUCKLFPPDN-INIZCTEOSA-N 1 2 327.384 1.567 20 30 EDEDLO COc1cccc(OC)c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000589820219 449063807 /nfs/dbraw/zinc/06/38/07/449063807.db2.gz GGCPFTKMYXYJBB-UHFFFAOYSA-N 1 2 333.432 1.752 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590005441 449094003 /nfs/dbraw/zinc/09/40/03/449094003.db2.gz UDAPQQJBZIIYMH-OLRMPSLUSA-N 1 2 331.441 1.606 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590005441 449094009 /nfs/dbraw/zinc/09/40/09/449094009.db2.gz UDAPQQJBZIIYMH-OLRMPSLUSA-N 1 2 331.441 1.606 20 30 EDEDLO CC(C)n1cnnc1C[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000590026458 449098755 /nfs/dbraw/zinc/09/87/55/449098755.db2.gz WXXNAPPMNIPMMG-MRXNPFEDSA-N 1 2 343.431 1.797 20 30 EDEDLO CC(C)n1cnnc1C[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000590026458 449098758 /nfs/dbraw/zinc/09/87/58/449098758.db2.gz WXXNAPPMNIPMMG-MRXNPFEDSA-N 1 2 343.431 1.797 20 30 EDEDLO CN1CC[NH+]([C@H](CNC(=O)CC2(C#N)CC2)c2cccs2)CC1 ZINC000590245746 449120493 /nfs/dbraw/zinc/12/04/93/449120493.db2.gz UOWXKJIBOVMOCO-CQSZACIVSA-N 1 2 332.473 1.847 20 30 EDEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595834856 449197838 /nfs/dbraw/zinc/19/78/38/449197838.db2.gz MEKKGGZFSIKPDU-KXBFYZLASA-N 1 2 343.427 1.910 20 30 EDEDLO CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595834856 449197843 /nfs/dbraw/zinc/19/78/43/449197843.db2.gz MEKKGGZFSIKPDU-KXBFYZLASA-N 1 2 343.427 1.910 20 30 EDEDLO C[C@@]1(C#N)CC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000595841049 449200878 /nfs/dbraw/zinc/20/08/78/449200878.db2.gz USHDGGQAZPIVEN-YOEHRIQHSA-N 1 2 328.372 1.100 20 30 EDEDLO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000595841049 449200884 /nfs/dbraw/zinc/20/08/84/449200884.db2.gz USHDGGQAZPIVEN-YOEHRIQHSA-N 1 2 328.372 1.100 20 30 EDEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842404 449201979 /nfs/dbraw/zinc/20/19/79/449201979.db2.gz ZQMIDHVPHIGCBV-HBUWYVDXSA-N 1 2 329.400 1.567 20 30 EDEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842404 449201983 /nfs/dbraw/zinc/20/19/83/449201983.db2.gz ZQMIDHVPHIGCBV-HBUWYVDXSA-N 1 2 329.400 1.567 20 30 EDEDLO C[C@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)c1[nH+]ccn1C ZINC000595845900 449204299 /nfs/dbraw/zinc/20/42/99/449204299.db2.gz VPVNJXIHHBSDIM-ZDUSSCGKSA-N 1 2 339.403 1.280 20 30 EDEDLO CCOC[C@H](C(=O)OC)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000611208944 449215666 /nfs/dbraw/zinc/21/56/66/449215666.db2.gz WXYOAGIONQEIKE-GFCCVEGCSA-N 1 2 339.417 1.458 20 30 EDEDLO CCOC[C@H](C(=O)OC)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000611208944 449215672 /nfs/dbraw/zinc/21/56/72/449215672.db2.gz WXYOAGIONQEIKE-GFCCVEGCSA-N 1 2 339.417 1.458 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000598001295 449188232 /nfs/dbraw/zinc/18/82/32/449188232.db2.gz YXAYVCTYLNEPBV-CABCVRRESA-N 1 2 345.443 1.941 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000598001295 449188238 /nfs/dbraw/zinc/18/82/38/449188238.db2.gz YXAYVCTYLNEPBV-CABCVRRESA-N 1 2 345.443 1.941 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCc3c(cccc3C(N)=O)C2)cc1 ZINC000595902383 449243003 /nfs/dbraw/zinc/24/30/03/449243003.db2.gz IKTNMYOUMKVLAT-UHFFFAOYSA-N 1 2 348.406 1.332 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCc3c(cccc3C(N)=O)C2)cc1 ZINC000595902383 449243012 /nfs/dbraw/zinc/24/30/12/449243012.db2.gz IKTNMYOUMKVLAT-UHFFFAOYSA-N 1 2 348.406 1.332 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C1(C#N)CCCCC1 ZINC000600231497 449256600 /nfs/dbraw/zinc/25/66/00/449256600.db2.gz ISJBXLVGDRPTAV-GOSISDBHSA-N 1 2 335.448 1.192 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)C1(C#N)CCCCC1 ZINC000600231497 449256607 /nfs/dbraw/zinc/25/66/07/449256607.db2.gz ISJBXLVGDRPTAV-GOSISDBHSA-N 1 2 335.448 1.192 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000594012480 449320847 /nfs/dbraw/zinc/32/08/47/449320847.db2.gz FSPSRJMINIXTAN-CVEARBPZSA-N 1 2 329.444 1.916 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(CC)CC(=O)NCc1cccs1 ZINC000594009626 449320956 /nfs/dbraw/zinc/32/09/56/449320956.db2.gz GDYNJWRRVVFLLY-ZDUSSCGKSA-N 1 2 336.461 1.495 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000594017325 449323792 /nfs/dbraw/zinc/32/37/92/449323792.db2.gz DBYJYICKEHNCNL-ZDUSSCGKSA-N 1 2 347.293 1.838 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000594017325 449323800 /nfs/dbraw/zinc/32/38/00/449323800.db2.gz DBYJYICKEHNCNL-ZDUSSCGKSA-N 1 2 347.293 1.838 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)NCC2(C#N)CCCC2)CC1 ZINC000593433460 449282045 /nfs/dbraw/zinc/28/20/45/449282045.db2.gz WWTMSOPFWQOMMD-UHFFFAOYSA-N 1 2 338.452 1.061 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602026191 449283891 /nfs/dbraw/zinc/28/38/91/449283891.db2.gz JFZCZNXFZWUJGG-UHFFFAOYSA-N 1 2 343.362 1.805 20 30 EDEDLO N#Cc1nc(NC[C@@]2([NH+]3CCOCC3)CCSC2)sc1Cl ZINC000596090632 449358088 /nfs/dbraw/zinc/35/80/88/449358088.db2.gz ZKNVHSBQMBPUHK-ZDUSSCGKSA-N 1 2 344.893 2.288 20 30 EDEDLO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)ncc1C#N ZINC000590905347 449338823 /nfs/dbraw/zinc/33/88/23/449338823.db2.gz LKEQRQSOICIFER-MRXNPFEDSA-N 1 2 328.416 1.589 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N1Cc2ccc(C#N)cc2C1)[NH+]1CCOCC1 ZINC000594222688 449396441 /nfs/dbraw/zinc/39/64/41/449396441.db2.gz ZFICABZMUZIOOM-UONOGXRCSA-N 1 2 328.416 1.693 20 30 EDEDLO CC(C)(C)n1nnc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000594576855 449581635 /nfs/dbraw/zinc/58/16/35/449581635.db2.gz CDMZBTFWFYHZRX-AWEZNQCLSA-N 1 2 344.419 1.024 20 30 EDEDLO N#Cc1ccccc1N1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000601029465 449662085 /nfs/dbraw/zinc/66/20/85/449662085.db2.gz XULFNLGHPCHHHA-UHFFFAOYSA-N 1 2 340.427 1.072 20 30 EDEDLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC[C@](C)(C#N)C2)CC1 ZINC000612369854 449665167 /nfs/dbraw/zinc/66/51/67/449665167.db2.gz WJAGHQVILVAOSG-GOSISDBHSA-N 1 2 329.448 1.784 20 30 EDEDLO COc1cc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)ccc1C#N ZINC000601147721 449716916 /nfs/dbraw/zinc/71/69/16/449716916.db2.gz WLNIPTHRPQUGMJ-UHFFFAOYSA-N 1 2 327.388 1.869 20 30 EDEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000599193649 449789784 /nfs/dbraw/zinc/78/97/84/449789784.db2.gz NEXBPALEEINYLO-SFHVURJKSA-N 1 2 340.427 1.688 20 30 EDEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000599193649 449789789 /nfs/dbraw/zinc/78/97/89/449789789.db2.gz NEXBPALEEINYLO-SFHVURJKSA-N 1 2 340.427 1.688 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000614662890 449747303 /nfs/dbraw/zinc/74/73/03/449747303.db2.gz SFRVYGITHXZAPB-NVXWUHKLSA-N 1 2 335.411 1.855 20 30 EDEDLO Cc1cc(NCCNc2ncc([N+](=O)[O-])cc2C#N)nc(C(C)C)[nH+]1 ZINC000599146714 449763014 /nfs/dbraw/zinc/76/30/14/449763014.db2.gz BKZAEJUVRSGPRF-UHFFFAOYSA-N 1 2 341.375 1.451 20 30 EDEDLO CCn1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000597028500 449775646 /nfs/dbraw/zinc/77/56/46/449775646.db2.gz ZDSHPUPZKIOMNY-UHFFFAOYSA-N 1 2 338.415 2.124 20 30 EDEDLO C[C@@H](c1cccc(NS(C)(=O)=O)c1)[NH+]1CCN(CCC#N)CC1 ZINC000601314961 449824707 /nfs/dbraw/zinc/82/47/07/449824707.db2.gz CNEWHGXOPCVXNS-AWEZNQCLSA-N 1 2 336.461 1.650 20 30 EDEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4ccsc4C#N)CC3)cnc12 ZINC000597183632 449859832 /nfs/dbraw/zinc/85/98/32/449859832.db2.gz OHIXDNPNDRIZLC-UHFFFAOYSA-N 1 2 349.423 1.856 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)N(CCC#N)c2ccccc2)C[C@H](C)N1CC#N ZINC000602858073 449868246 /nfs/dbraw/zinc/86/82/46/449868246.db2.gz YOVJBSSDWOBDGM-IRXDYDNUSA-N 1 2 339.443 1.851 20 30 EDEDLO COC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602861067 449868813 /nfs/dbraw/zinc/86/88/13/449868813.db2.gz KIAUHKJRQFQMJO-OKILXGFUSA-N 1 2 344.415 1.330 20 30 EDEDLO COC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602861067 449868819 /nfs/dbraw/zinc/86/88/19/449868819.db2.gz KIAUHKJRQFQMJO-OKILXGFUSA-N 1 2 344.415 1.330 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)Nc2cccc3nsnc32)C[C@H](C)N1CC#N ZINC000602862184 449871666 /nfs/dbraw/zinc/87/16/66/449871666.db2.gz MVICDVVFDPBASS-RYUDHWBXSA-N 1 2 344.444 1.548 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599372327 449927493 /nfs/dbraw/zinc/92/74/93/449927493.db2.gz ZDEPKSMPBZLAIJ-BPUTZDHNSA-N 1 2 332.400 1.571 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000599372327 449927500 /nfs/dbraw/zinc/92/75/00/449927500.db2.gz ZDEPKSMPBZLAIJ-BPUTZDHNSA-N 1 2 332.400 1.571 20 30 EDEDLO C[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602975010 449977039 /nfs/dbraw/zinc/97/70/39/449977039.db2.gz XGSUHLSWLZPAHS-HUUCEWRRSA-N 1 2 344.415 1.188 20 30 EDEDLO C[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602975010 449977040 /nfs/dbraw/zinc/97/70/40/449977040.db2.gz XGSUHLSWLZPAHS-HUUCEWRRSA-N 1 2 344.415 1.188 20 30 EDEDLO CN(C[C@H]1C[N@H+](C)CCO1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000601489100 450010057 /nfs/dbraw/zinc/01/00/57/450010057.db2.gz KXWMBTBJTUYUTN-GFCCVEGCSA-N 1 2 343.836 1.163 20 30 EDEDLO CN(C[C@H]1C[N@@H+](C)CCO1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000601489100 450010064 /nfs/dbraw/zinc/01/00/64/450010064.db2.gz KXWMBTBJTUYUTN-GFCCVEGCSA-N 1 2 343.836 1.163 20 30 EDEDLO COC1CC[NH+](Cc2cn(Cc3cc(C#N)ccc3F)nn2)CC1 ZINC000603191087 450129405 /nfs/dbraw/zinc/12/94/05/450129405.db2.gz JBCXKOFPYDJAAZ-UHFFFAOYSA-N 1 2 329.379 1.948 20 30 EDEDLO Cc1nc(NC(=O)CCCn2cc[nH+]c2)n(-c2ccc(C#N)cc2)n1 ZINC000610231800 450155496 /nfs/dbraw/zinc/15/54/96/450155496.db2.gz AUSOCMNLVKWZLC-UHFFFAOYSA-N 1 2 335.371 1.485 20 30 EDEDLO CC(C)(C)c1ccc(C#N)c(N2CC[NH+](C(C)(C)C(N)=O)CC2)n1 ZINC000613427265 450175334 /nfs/dbraw/zinc/17/53/34/450175334.db2.gz YCGIRHYFIHIHPG-UHFFFAOYSA-N 1 2 329.448 1.637 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000599668769 450141314 /nfs/dbraw/zinc/14/13/14/450141314.db2.gz ZBKBWELHJFYSJO-OAHLLOKOSA-N 1 2 327.384 1.321 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000599668769 450141320 /nfs/dbraw/zinc/14/13/20/450141320.db2.gz ZBKBWELHJFYSJO-OAHLLOKOSA-N 1 2 327.384 1.321 20 30 EDEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)n1 ZINC000595517909 450201423 /nfs/dbraw/zinc/20/14/23/450201423.db2.gz GPOFSWOIZDQGDL-UHFFFAOYSA-N 1 2 339.399 1.503 20 30 EDEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCC(C)(C#N)CC2)C1 ZINC000603302834 450228201 /nfs/dbraw/zinc/22/82/01/450228201.db2.gz GKUANOOIMQLDDC-UHFFFAOYSA-N 1 2 333.457 1.989 20 30 EDEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCC(C)(C#N)CC2)C1 ZINC000603302834 450228207 /nfs/dbraw/zinc/22/82/07/450228207.db2.gz GKUANOOIMQLDDC-UHFFFAOYSA-N 1 2 333.457 1.989 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000601769392 450229070 /nfs/dbraw/zinc/22/90/70/450229070.db2.gz MSJVTAUXHLAEJT-MRXNPFEDSA-N 1 2 337.851 1.293 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000601769392 450229074 /nfs/dbraw/zinc/22/90/74/450229074.db2.gz MSJVTAUXHLAEJT-MRXNPFEDSA-N 1 2 337.851 1.293 20 30 EDEDLO N#C[C@@]1(F)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000615663923 450190454 /nfs/dbraw/zinc/19/04/54/450190454.db2.gz GZSBEDCDEGYWAZ-HNNXBMFYSA-N 1 2 329.291 1.858 20 30 EDEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000603310915 450235853 /nfs/dbraw/zinc/23/58/53/450235853.db2.gz WQPROMIVOBDNNL-QGZVFWFLSA-N 1 2 333.457 1.989 20 30 EDEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000603310915 450235860 /nfs/dbraw/zinc/23/58/60/450235860.db2.gz WQPROMIVOBDNNL-QGZVFWFLSA-N 1 2 333.457 1.989 20 30 EDEDLO N#CC1(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000619525724 450498851 /nfs/dbraw/zinc/49/88/51/450498851.db2.gz WYCVKXFJYYCZNP-INIZCTEOSA-N 1 2 328.416 1.663 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000624163767 450729921 /nfs/dbraw/zinc/72/99/21/450729921.db2.gz JZDXGGRRCPDFHP-CABCVRRESA-N 1 2 347.463 2.353 20 30 EDEDLO C=C(C)Cn1c(-c2cn[nH]c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000624992985 451100104 /nfs/dbraw/zinc/10/01/04/451100104.db2.gz WVYOAOLPSABOGX-UHFFFAOYSA-N 1 2 331.424 1.013 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NCCc2ccccc2C)nn1 ZINC000640911467 451687038 /nfs/dbraw/zinc/68/70/38/451687038.db2.gz DIZVUIBNNVZMEH-MRXNPFEDSA-N 1 2 339.443 1.619 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COCc2ccccc2F)nn1 ZINC000641196783 451776391 /nfs/dbraw/zinc/77/63/91/451776391.db2.gz INXQQMDWIDQMPH-MRXNPFEDSA-N 1 2 332.379 1.108 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)nn1 ZINC000648227487 452926939 /nfs/dbraw/zinc/92/69/39/452926939.db2.gz MAZMEQZLKYMBLW-MRXNPFEDSA-N 1 2 341.415 1.267 20 30 EDEDLO C=CCn1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)nn1 ZINC000648232373 452931414 /nfs/dbraw/zinc/93/14/14/452931414.db2.gz ZULLKADQNDTYJN-QGZVFWFLSA-N 1 2 341.415 1.267 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662300162 453020877 /nfs/dbraw/zinc/02/08/77/453020877.db2.gz PUGJEWVJFCDVCO-CQSZACIVSA-N 1 2 327.428 1.733 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662300162 453020880 /nfs/dbraw/zinc/02/08/80/453020880.db2.gz PUGJEWVJFCDVCO-CQSZACIVSA-N 1 2 327.428 1.733 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672763765 486794187 /nfs/dbraw/zinc/79/41/87/486794187.db2.gz MYEWHWMBRPLTSJ-UHFFFAOYSA-N 1 2 326.400 1.502 20 30 EDEDLO CC[N@@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)C[C@@H](C)C#N ZINC000353325224 485654998 /nfs/dbraw/zinc/65/49/98/485654998.db2.gz HYNISKMBENJNHM-HNNXBMFYSA-N 1 2 325.416 1.970 20 30 EDEDLO CC[N@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)C[C@@H](C)C#N ZINC000353325224 485655006 /nfs/dbraw/zinc/65/50/06/485655006.db2.gz HYNISKMBENJNHM-HNNXBMFYSA-N 1 2 325.416 1.970 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)s1 ZINC000570584149 485798062 /nfs/dbraw/zinc/79/80/62/485798062.db2.gz VEHPJBPMXTXEEU-CYBMUJFWSA-N 1 2 334.426 1.350 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000668782302 486190966 /nfs/dbraw/zinc/19/09/66/486190966.db2.gz REAZWUTUVSATSV-YJBOKZPZSA-N 1 2 344.459 1.758 20 30 EDEDLO C[C@H](O)C(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093706526 534039626 /nfs/dbraw/zinc/03/96/26/534039626.db2.gz CNAFEKGQWIGTEJ-HNNXBMFYSA-N 1 2 331.416 1.394 20 30 EDEDLO C=CCC[C@H](NC(=O)C(=O)NCc1[nH+]ccn1C)c1ccccc1 ZINC000286674181 534805415 /nfs/dbraw/zinc/80/54/15/534805415.db2.gz MWVVMMJUOHHVSN-HNNXBMFYSA-N 1 2 326.400 1.860 20 30 EDEDLO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H](CNC(C)=O)C2)ccc1OC ZINC000179718544 526659184 /nfs/dbraw/zinc/65/91/84/526659184.db2.gz NXZFJMFWZGFVRJ-KRWDZBQOSA-N 1 2 348.443 1.987 20 30 EDEDLO C=C(C)COc1cc(C[N@H+]2CCO[C@@H](CNC(C)=O)C2)ccc1OC ZINC000179718544 526659187 /nfs/dbraw/zinc/65/91/87/526659187.db2.gz NXZFJMFWZGFVRJ-KRWDZBQOSA-N 1 2 348.443 1.987 20 30 EDEDLO C#CC[NH+](CC#C)CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000174050273 526845091 /nfs/dbraw/zinc/84/50/91/526845091.db2.gz MGBXHJNMMKYUCH-UHFFFAOYSA-N 1 2 338.329 1.812 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2CCCCCC2)CC1 ZINC000176259866 526990514 /nfs/dbraw/zinc/99/05/14/526990514.db2.gz OABMWPZTOWEGFL-UHFFFAOYSA-N 1 2 333.476 1.631 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2CCCCCC2)CC1 ZINC000176259866 526990518 /nfs/dbraw/zinc/99/05/18/526990518.db2.gz OABMWPZTOWEGFL-UHFFFAOYSA-N 1 2 333.476 1.631 20 30 EDEDLO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000101564854 527953148 /nfs/dbraw/zinc/95/31/48/527953148.db2.gz GBPGLTCIKXKLLY-HNNXBMFYSA-N 1 2 334.464 1.710 20 30 EDEDLO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000101564854 527953158 /nfs/dbraw/zinc/95/31/58/527953158.db2.gz GBPGLTCIKXKLLY-HNNXBMFYSA-N 1 2 334.464 1.710 20 30 EDEDLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000158728891 529150335 /nfs/dbraw/zinc/15/03/35/529150335.db2.gz CNDLOZICGUCZMZ-UHFFFAOYSA-N 1 2 347.362 1.903 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247371564 536883663 /nfs/dbraw/zinc/88/36/63/536883663.db2.gz PELJXMWAKFXOBQ-CRAIPNDOSA-N 1 2 332.400 1.825 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247371564 536883666 /nfs/dbraw/zinc/88/36/66/536883666.db2.gz PELJXMWAKFXOBQ-CRAIPNDOSA-N 1 2 332.400 1.825 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC000329805195 546509474 /nfs/dbraw/zinc/50/94/74/546509474.db2.gz AMYPZWMKKBMKNL-CABCVRRESA-N 1 2 337.464 1.845 20 30 EDEDLO C#CCSCCNC(=O)N1CCN(Cc2[nH+]ccn2CC)CC1 ZINC000740487920 579352373 /nfs/dbraw/zinc/35/23/73/579352373.db2.gz QZROKERVTILSOL-UHFFFAOYSA-N 1 2 335.477 1.097 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(N3CCOC3=O)ccc2F)CC1 ZINC000741690992 579424397 /nfs/dbraw/zinc/42/43/97/579424397.db2.gz IDOFPKYTEIPOIY-UHFFFAOYSA-N 1 2 331.347 1.173 20 30 EDEDLO N#CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000726187356 578336134 /nfs/dbraw/zinc/33/61/34/578336134.db2.gz RXAPEPNHPVESMU-AWEZNQCLSA-N 1 2 333.367 1.051 20 30 EDEDLO N#CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000726187356 578336135 /nfs/dbraw/zinc/33/61/35/578336135.db2.gz RXAPEPNHPVESMU-AWEZNQCLSA-N 1 2 333.367 1.051 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)COc2cccc(C#N)c2)CC1 ZINC000729977609 578605038 /nfs/dbraw/zinc/60/50/38/578605038.db2.gz WWUKZEVMIMDOSL-UHFFFAOYSA-N 1 2 339.399 1.015 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000730095912 578613897 /nfs/dbraw/zinc/61/38/97/578613897.db2.gz LNOXFZIFTYMJQY-INIZCTEOSA-N 1 2 349.456 1.409 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 ZINC000730095912 578613900 /nfs/dbraw/zinc/61/39/00/578613900.db2.gz LNOXFZIFTYMJQY-INIZCTEOSA-N 1 2 349.456 1.409 20 30 EDEDLO N#Cc1cccc(OCC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000732127791 578693450 /nfs/dbraw/zinc/69/34/50/578693450.db2.gz OGMLDWXSSGAYRU-QGZVFWFLSA-N 1 2 343.427 1.650 20 30 EDEDLO N#C[C@H](C(=O)C[N@H+](CCO)CC1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000732204233 578697392 /nfs/dbraw/zinc/69/73/92/578697392.db2.gz RVNKFMYMHXBWBF-CQSZACIVSA-N 1 2 340.383 1.216 20 30 EDEDLO N#C[C@H](C(=O)C[N@@H+](CCO)CC1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000732204233 578697393 /nfs/dbraw/zinc/69/73/93/578697393.db2.gz RVNKFMYMHXBWBF-CQSZACIVSA-N 1 2 340.383 1.216 20 30 EDEDLO COc1ccc(OC)c([C@H](O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC000732203747 578697431 /nfs/dbraw/zinc/69/74/31/578697431.db2.gz HMCMYOZVVYZDAF-QZTJIDSGSA-N 1 2 347.459 1.903 20 30 EDEDLO C=CCN1CC(=O)N(Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)C1=O ZINC000761001323 580044130 /nfs/dbraw/zinc/04/41/30/580044130.db2.gz CLVRKKRAAFBOAE-OKILXGFUSA-N 1 2 344.415 1.645 20 30 EDEDLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NCc1ccc(C#N)cc1 ZINC000745088575 579537989 /nfs/dbraw/zinc/53/79/89/579537989.db2.gz WQEYGWPPBMCUPZ-MRXNPFEDSA-N 1 2 329.400 1.592 20 30 EDEDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NCc1ccc(C#N)cc1 ZINC000745088575 579537991 /nfs/dbraw/zinc/53/79/91/579537991.db2.gz WQEYGWPPBMCUPZ-MRXNPFEDSA-N 1 2 329.400 1.592 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC000746479906 579597474 /nfs/dbraw/zinc/59/74/74/579597474.db2.gz CFAOEDMEZCYPJJ-UHFFFAOYSA-N 1 2 349.475 1.991 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC000746479906 579597475 /nfs/dbraw/zinc/59/74/75/579597475.db2.gz CFAOEDMEZCYPJJ-UHFFFAOYSA-N 1 2 349.475 1.991 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)NCC#Cc2ccccc2)c(N(C)C)[nH+]1 ZINC000750255735 579757255 /nfs/dbraw/zinc/75/72/55/579757255.db2.gz TVVZPVBZLAYKDU-UHFFFAOYSA-N 1 2 336.395 1.562 20 30 EDEDLO N#Cc1ccc(CO[NH+]=C(N)CN2CCOCC2)c(OC(F)F)c1 ZINC000753119445 579872934 /nfs/dbraw/zinc/87/29/34/579872934.db2.gz YBOHMUKZBQOICG-UHFFFAOYSA-N 1 2 340.330 1.490 20 30 EDEDLO COc1cccc(NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)c1 ZINC000753829211 579888906 /nfs/dbraw/zinc/88/89/06/579888906.db2.gz HPQSALDLTMWBLK-UHFFFAOYSA-N 1 2 341.367 1.906 20 30 EDEDLO C#CCOCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000755905291 579937686 /nfs/dbraw/zinc/93/76/86/579937686.db2.gz OVXWTPHSIJRCMU-HNNXBMFYSA-N 1 2 335.473 1.193 20 30 EDEDLO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(F)cc(F)c1O ZINC000756704188 579955669 /nfs/dbraw/zinc/95/56/69/579955669.db2.gz GIAIYDCBDURYFC-UYSITSMJSA-N 1 2 337.326 1.847 20 30 EDEDLO C#CCCCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000757767364 579971048 /nfs/dbraw/zinc/97/10/48/579971048.db2.gz OHGVYQUIQXSKFS-UHFFFAOYSA-N 1 2 328.412 1.906 20 30 EDEDLO CC(=NNc1cnn(C)c1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000761867210 580062917 /nfs/dbraw/zinc/06/29/17/580062917.db2.gz OJSRFEUEADWKET-UHFFFAOYSA-N 1 2 329.404 1.794 20 30 EDEDLO CCN(CC)S(=O)(=O)c1ccc(N[NH+]=Cc2cccnc2N)nc1 ZINC000764664547 580126047 /nfs/dbraw/zinc/12/60/47/580126047.db2.gz BHVGSNGNKRHEOH-UHFFFAOYSA-N 1 2 348.432 1.535 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2c(cccc2C(=O)OC)[nH]1 ZINC000764945007 580131749 /nfs/dbraw/zinc/13/17/49/580131749.db2.gz MBQIRXPXVPBSLO-ZDUSSCGKSA-N 1 2 326.356 1.386 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2c(cccc2C(=O)OC)[nH]1 ZINC000764945007 580131750 /nfs/dbraw/zinc/13/17/50/580131750.db2.gz MBQIRXPXVPBSLO-ZDUSSCGKSA-N 1 2 326.356 1.386 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000764945007 580131751 /nfs/dbraw/zinc/13/17/51/580131751.db2.gz MBQIRXPXVPBSLO-ZDUSSCGKSA-N 1 2 326.356 1.386 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000764945007 580131752 /nfs/dbraw/zinc/13/17/52/580131752.db2.gz MBQIRXPXVPBSLO-ZDUSSCGKSA-N 1 2 326.356 1.386 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765700718 580149165 /nfs/dbraw/zinc/14/91/65/580149165.db2.gz ZTSFMQDXYMUEHH-OAHLLOKOSA-N 1 2 325.453 1.939 20 30 EDEDLO CCOC(=O)CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766611248 580170088 /nfs/dbraw/zinc/17/00/88/580170088.db2.gz HOECMRFRFMKHHK-UHFFFAOYSA-N 1 2 343.427 1.831 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000773923528 580349425 /nfs/dbraw/zinc/34/94/25/580349425.db2.gz QPEREBWDCXRUNC-INIZCTEOSA-N 1 2 341.411 1.717 20 30 EDEDLO C#CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000775657585 580396430 /nfs/dbraw/zinc/39/64/30/580396430.db2.gz CXFJCMJICQULFF-ZDUSSCGKSA-N 1 2 339.413 1.032 20 30 EDEDLO C#CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000775657585 580396431 /nfs/dbraw/zinc/39/64/31/580396431.db2.gz CXFJCMJICQULFF-ZDUSSCGKSA-N 1 2 339.413 1.032 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCCO1 ZINC000776226883 580411975 /nfs/dbraw/zinc/41/19/75/580411975.db2.gz HPUBQRXDGXWUPJ-DLBZAZTESA-N 1 2 328.416 1.090 20 30 EDEDLO C=CCN1C(=O)c2ccc(C(=O)OCCCn3cc[nH+]c3)cc2C1=O ZINC000781868598 580559162 /nfs/dbraw/zinc/55/91/62/580559162.db2.gz VTCNHAUPQPDCMQ-UHFFFAOYSA-N 1 2 339.351 1.912 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC(=O)N(C)C[C@@H]2C)c(OC)c1 ZINC000782593088 580579271 /nfs/dbraw/zinc/57/92/71/580579271.db2.gz CFDDGPJUQWHJTE-GOEBONIOSA-N 1 2 348.443 1.326 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC(=O)N(C)C[C@@H]2C)c(OC)c1 ZINC000782593088 580579272 /nfs/dbraw/zinc/57/92/72/580579272.db2.gz CFDDGPJUQWHJTE-GOEBONIOSA-N 1 2 348.443 1.326 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1)c1cccc(Cl)c1 ZINC000782622443 580580899 /nfs/dbraw/zinc/58/08/99/580580899.db2.gz UYDULTDWDTWZIW-SUMWQHHRSA-N 1 2 333.819 1.901 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1C[C@@H]2C[C@]2(CO)C1)c1cccc(Cl)c1 ZINC000782622443 580580900 /nfs/dbraw/zinc/58/09/00/580580900.db2.gz UYDULTDWDTWZIW-SUMWQHHRSA-N 1 2 333.819 1.901 20 30 EDEDLO N#Cc1cnn2c1[nH]c(COC(=O)c1ccc3[nH+]ccn3c1)cc2=O ZINC000783610098 580602111 /nfs/dbraw/zinc/60/21/11/580602111.db2.gz IMWDBFVFWPCCBW-UHFFFAOYSA-N 1 2 334.295 1.311 20 30 EDEDLO COC(=O)[C@@H]1[C@H](C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1(F)F ZINC000787769150 580704838 /nfs/dbraw/zinc/70/48/38/580704838.db2.gz AGENFWJCIDBGJL-JYJNAYRXSA-N 1 2 349.381 1.923 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](C[C@H](O)c3ccccc3F)CC2)c1C#N ZINC000788276167 580715657 /nfs/dbraw/zinc/71/56/57/580715657.db2.gz SDEBEXHUMCQEHD-KRWDZBQOSA-N 1 2 343.406 1.595 20 30 EDEDLO C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000790792345 580779038 /nfs/dbraw/zinc/77/90/38/580779038.db2.gz DYUKSPYDSJXETH-DOMZBBRYSA-N 1 2 340.345 1.892 20 30 EDEDLO C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000790792345 580779039 /nfs/dbraw/zinc/77/90/39/580779039.db2.gz DYUKSPYDSJXETH-DOMZBBRYSA-N 1 2 340.345 1.892 20 30 EDEDLO CCCCCCCCC[NH+]1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000792256943 580815353 /nfs/dbraw/zinc/81/53/53/580815353.db2.gz XJRSJHURYZOOPN-IRXDYDNUSA-N 1 2 346.537 1.513 20 30 EDEDLO Cc1nc(C#N)c(N2CCC(C(=O)OCc3c[nH+]cn3C)CC2)o1 ZINC000793162199 580837037 /nfs/dbraw/zinc/83/70/37/580837037.db2.gz NODJTUAHMZVXAG-UHFFFAOYSA-N 1 2 329.360 1.548 20 30 EDEDLO Cc1[nH+]c(C(C)N=Nc2ccccc2S(=O)(=O)N(C)C)cn1C ZINC000793181457 580837599 /nfs/dbraw/zinc/83/75/99/580837599.db2.gz RQPUEIDHFUUGEI-UHFFFAOYSA-N 1 2 335.433 1.815 20 30 EDEDLO COC(=O)CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793487757 580845444 /nfs/dbraw/zinc/84/54/44/580845444.db2.gz WDUBRBOSZCIFSH-UHFFFAOYSA-N 1 2 343.427 1.831 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000794953986 580908912 /nfs/dbraw/zinc/90/89/12/580908912.db2.gz UOFJGRAFDIYKMW-GCVYGYKWSA-N 1 2 347.802 1.889 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000794953986 580908913 /nfs/dbraw/zinc/90/89/13/580908913.db2.gz UOFJGRAFDIYKMW-GCVYGYKWSA-N 1 2 347.802 1.889 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000797207440 580970379 /nfs/dbraw/zinc/97/03/79/580970379.db2.gz KZWSTBKNMLYCHI-CYBMUJFWSA-N 1 2 332.375 1.993 20 30 EDEDLO C#CCCCS(=O)(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000798226084 580991474 /nfs/dbraw/zinc/99/14/74/580991474.db2.gz YHMAUWRKJKAZOG-MRXNPFEDSA-N 1 2 330.494 1.456 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000798355086 580995164 /nfs/dbraw/zinc/99/51/64/580995164.db2.gz STIPSOORVSASSD-CZUORRHYSA-N 1 2 344.390 1.722 20 30 EDEDLO CC(=[NH+]N[C@@H](C)CO)c1c[nH]c2ccc(Br)cc2c1=O ZINC000799881048 581038321 /nfs/dbraw/zinc/03/83/21/581038321.db2.gz HVKSOUXTINNRBH-QMMMGPOBSA-N 1 2 338.205 1.985 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc2[nH]c3ccccc3n21 ZINC000840735353 591362134 /nfs/dbraw/zinc/36/21/34/591362134.db2.gz QIBZGGRVGVNGAY-NSHDSACASA-N 1 2 330.417 1.509 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc2[nH]c3ccccc3n21 ZINC000840735353 591362138 /nfs/dbraw/zinc/36/21/38/591362138.db2.gz QIBZGGRVGVNGAY-NSHDSACASA-N 1 2 330.417 1.509 20 30 EDEDLO C#C[C@H]1CCCCN1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000896207900 591385027 /nfs/dbraw/zinc/38/50/27/591385027.db2.gz ZDUPRFDVNSOIFS-INIZCTEOSA-N 1 2 349.475 1.990 20 30 EDEDLO N#CCN1CCC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000896630660 591558067 /nfs/dbraw/zinc/55/80/67/591558067.db2.gz MHBGHIQLWULCRT-AWEZNQCLSA-N 1 2 339.399 1.543 20 30 EDEDLO COc1ccc(Br)c(C[NH2+][C@@H]2CCCN(O)C2=O)c1 ZINC000895163656 591629661 /nfs/dbraw/zinc/62/96/61/591629661.db2.gz XFJVUSMDJUSZBL-GFCCVEGCSA-N 1 2 329.194 1.928 20 30 EDEDLO Cc1cc(C#N)cc(C)c1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000895298388 591704702 /nfs/dbraw/zinc/70/47/02/591704702.db2.gz RTFOSBVJMDFSDT-UHFFFAOYSA-N 1 2 338.415 1.225 20 30 EDEDLO C=C(C)C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(=O)OCC ZINC000899209643 591732119 /nfs/dbraw/zinc/73/21/19/591732119.db2.gz UIKSOFFIBJJEJU-GJZGRUSLSA-N 1 2 334.420 1.804 20 30 EDEDLO C=C(C)C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(=O)OCC ZINC000899209643 591732123 /nfs/dbraw/zinc/73/21/23/591732123.db2.gz UIKSOFFIBJJEJU-GJZGRUSLSA-N 1 2 334.420 1.804 20 30 EDEDLO C=C(C)C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)C(=O)OCC ZINC000899209643 591732124 /nfs/dbraw/zinc/73/21/24/591732124.db2.gz UIKSOFFIBJJEJU-GJZGRUSLSA-N 1 2 334.420 1.804 20 30 EDEDLO C=C(C)C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)C(=O)OCC ZINC000899209643 591732128 /nfs/dbraw/zinc/73/21/28/591732128.db2.gz UIKSOFFIBJJEJU-GJZGRUSLSA-N 1 2 334.420 1.804 20 30 EDEDLO C[N@@H+]1CCOC[C@@]1(CO)CNc1c(C#N)cnc2c(Cl)cccc21 ZINC000895613209 591824978 /nfs/dbraw/zinc/82/49/78/591824978.db2.gz XABAJNPDGJVCOH-KRWDZBQOSA-N 1 2 346.818 1.865 20 30 EDEDLO C[N@H+]1CCOC[C@@]1(CO)CNc1c(C#N)cnc2c(Cl)cccc21 ZINC000895613209 591824981 /nfs/dbraw/zinc/82/49/81/591824981.db2.gz XABAJNPDGJVCOH-KRWDZBQOSA-N 1 2 346.818 1.865 20 30 EDEDLO NC(=NOC[C@H]1C[C@@]12CCOC2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902227081 591949617 /nfs/dbraw/zinc/94/96/17/591949617.db2.gz VJRZQFBKQKSMQG-IEBWSBKVSA-N 1 2 345.443 1.582 20 30 EDEDLO N#CCN1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000900777408 592121222 /nfs/dbraw/zinc/12/12/22/592121222.db2.gz OZSAVFJQXFBDMW-UHFFFAOYSA-N 1 2 338.415 1.277 20 30 EDEDLO C[C@H](NC(=O)c1ccccc1SCC#N)[C@H]1CN(C)CC[N@@H+]1C ZINC000900800425 592142331 /nfs/dbraw/zinc/14/23/31/592142331.db2.gz DQLGNCROEWSDIL-DZGCQCFKSA-N 1 2 332.473 1.666 20 30 EDEDLO C[C@H](NC(=O)c1ccccc1SCC#N)[C@H]1CN(C)CC[N@H+]1C ZINC000900800425 592142335 /nfs/dbraw/zinc/14/23/35/592142335.db2.gz DQLGNCROEWSDIL-DZGCQCFKSA-N 1 2 332.473 1.666 20 30 EDEDLO N#Cc1sccc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000906999789 592470347 /nfs/dbraw/zinc/47/03/47/592470347.db2.gz XTKWYYPDEROFTR-ZDUSSCGKSA-N 1 2 335.429 1.183 20 30 EDEDLO CCOC(=O)Nc1ccc(F)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000905494470 592552869 /nfs/dbraw/zinc/55/28/69/592552869.db2.gz CNVFRYGYWUJLQE-INIZCTEOSA-N 1 2 336.367 1.968 20 30 EDEDLO C=CC[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1)C(=O)OC ZINC000905774298 592641208 /nfs/dbraw/zinc/64/12/08/592641208.db2.gz OUXLLELUTVIHEW-CYBMUJFWSA-N 1 2 342.436 1.768 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)CC1(C#N)CC1 ZINC000907584915 592722514 /nfs/dbraw/zinc/72/25/14/592722514.db2.gz YICGIANUEVZFGG-MRXNPFEDSA-N 1 2 337.383 1.336 20 30 EDEDLO C=CCC1(C(=O)NCc2[nH+]ccn2C)CN(C(=O)OC(C)(C)C)C1 ZINC000906558588 592844481 /nfs/dbraw/zinc/84/44/81/592844481.db2.gz MYAKBTVIXOECSP-UHFFFAOYSA-N 1 2 334.420 1.850 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2nnc(-c3ccccc3)[nH]2)C1 ZINC000888352531 593033937 /nfs/dbraw/zinc/03/39/37/593033937.db2.gz WVAVLMWDRDWNPH-HNNXBMFYSA-N 1 2 338.415 1.369 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2nnc(-c3ccccc3)[nH]2)C1 ZINC000888352531 593033939 /nfs/dbraw/zinc/03/39/39/593033939.db2.gz WVAVLMWDRDWNPH-HNNXBMFYSA-N 1 2 338.415 1.369 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2n[nH]c(-c3ccccc3)n2)C1 ZINC000888352531 593033941 /nfs/dbraw/zinc/03/39/41/593033941.db2.gz WVAVLMWDRDWNPH-HNNXBMFYSA-N 1 2 338.415 1.369 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2n[nH]c(-c3ccccc3)n2)C1 ZINC000888352531 593033943 /nfs/dbraw/zinc/03/39/43/593033943.db2.gz WVAVLMWDRDWNPH-HNNXBMFYSA-N 1 2 338.415 1.369 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000888352531 593033945 /nfs/dbraw/zinc/03/39/45/593033945.db2.gz WVAVLMWDRDWNPH-HNNXBMFYSA-N 1 2 338.415 1.369 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000888352531 593033947 /nfs/dbraw/zinc/03/39/47/593033947.db2.gz WVAVLMWDRDWNPH-HNNXBMFYSA-N 1 2 338.415 1.369 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888408660 593052741 /nfs/dbraw/zinc/05/27/41/593052741.db2.gz ZWXFTNQJLMSBRL-QMMMGPOBSA-N 1 2 329.813 1.510 20 30 EDEDLO C#Cc1cccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000838721020 593207720 /nfs/dbraw/zinc/20/77/20/593207720.db2.gz JAMKLIIBXPJOLN-SFHVURJKSA-N 1 2 327.428 1.674 20 30 EDEDLO Cn1nncc1CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000809995219 593374407 /nfs/dbraw/zinc/37/44/07/593374407.db2.gz NVSJOMKBCCOLHD-UHFFFAOYSA-N 1 2 338.371 1.626 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000809999371 593374678 /nfs/dbraw/zinc/37/46/78/593374678.db2.gz LVHGUTZYVZRSBN-OAHLLOKOSA-N 1 2 339.439 1.022 20 30 EDEDLO CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810528282 593409851 /nfs/dbraw/zinc/40/98/51/593409851.db2.gz SIUVSLLSYMWLFA-CXAGYDPISA-N 1 2 341.427 1.451 20 30 EDEDLO CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810528282 593409854 /nfs/dbraw/zinc/40/98/54/593409854.db2.gz SIUVSLLSYMWLFA-CXAGYDPISA-N 1 2 341.427 1.451 20 30 EDEDLO CN(C)c1ncc(C=[NH+]NC(=S)Nc2ccc(N(C)C)cc2)n1C ZINC000811641788 593475510 /nfs/dbraw/zinc/47/55/10/593475510.db2.gz QKXDNYQAGWRTJH-UHFFFAOYSA-N 1 2 345.476 1.873 20 30 EDEDLO CC[N@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CCOC1 ZINC000812298514 593495380 /nfs/dbraw/zinc/49/53/80/593495380.db2.gz OQEWZIKLMVNFAR-QAPCUYQASA-N 1 2 342.399 1.394 20 30 EDEDLO CC[N@@H+](CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CCOC1 ZINC000812298514 593495381 /nfs/dbraw/zinc/49/53/81/593495381.db2.gz OQEWZIKLMVNFAR-QAPCUYQASA-N 1 2 342.399 1.394 20 30 EDEDLO O=C(NO)c1ccc(CNC(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000816402504 593522308 /nfs/dbraw/zinc/52/23/08/593522308.db2.gz KYDMNWVLIBMXRB-UHFFFAOYSA-N 1 2 341.358 1.399 20 30 EDEDLO Cn1c(N)nc(Cl)c1C=[NH+]Nc1nnc(-c2ccccc2)n1C ZINC000814806201 593603876 /nfs/dbraw/zinc/60/38/76/593603876.db2.gz RHGWAJIDWVYCCU-UHFFFAOYSA-N 1 2 330.783 1.897 20 30 EDEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(N)nc1 ZINC000814827686 593604234 /nfs/dbraw/zinc/60/42/34/593604234.db2.gz ASBPXXABRZQZLD-UHFFFAOYSA-N 1 2 345.428 1.941 20 30 EDEDLO COC(=O)N1CCN(c2ccc(Nc3ccc(C#N)nn3)c[nH+]2)CC1 ZINC000814934258 593607375 /nfs/dbraw/zinc/60/73/75/593607375.db2.gz QBIUYGGUQLJNFA-UHFFFAOYSA-N 1 2 339.359 1.375 20 30 EDEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(S(=O)(=O)N(C)C)cc2)cn1 ZINC000814934306 593607442 /nfs/dbraw/zinc/60/74/42/593607442.db2.gz ARGCGFOEJKYSNC-UHFFFAOYSA-N 1 2 348.432 1.239 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2(Cc3ccc(F)cc3)CCOCC2)CC1 ZINC000815594251 593643757 /nfs/dbraw/zinc/64/37/57/593643757.db2.gz KCKDXIZOHMVACD-UHFFFAOYSA-N 1 2 344.430 1.942 20 30 EDEDLO N#Cc1c(=O)n(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc2c1CCCC2 ZINC000819896702 593775122 /nfs/dbraw/zinc/77/51/22/593775122.db2.gz HIFLVORPYUYEOZ-HNNXBMFYSA-N 1 2 338.415 1.485 20 30 EDEDLO N#Cc1c(=O)n(C[N@H+]2CCC[C@H](n3ccnn3)C2)cc2c1CCCC2 ZINC000819896702 593775123 /nfs/dbraw/zinc/77/51/23/593775123.db2.gz HIFLVORPYUYEOZ-HNNXBMFYSA-N 1 2 338.415 1.485 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2CC)c1 ZINC000820721648 593871802 /nfs/dbraw/zinc/87/18/02/593871802.db2.gz KHUJYWMYZVKANH-MRXNPFEDSA-N 1 2 348.468 1.650 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)C[C@H]2CC)c1 ZINC000820721648 593871804 /nfs/dbraw/zinc/87/18/04/593871804.db2.gz KHUJYWMYZVKANH-MRXNPFEDSA-N 1 2 348.468 1.650 20 30 EDEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821689269 593915208 /nfs/dbraw/zinc/91/52/08/593915208.db2.gz SZBXMCAGRBKXHN-UHFFFAOYSA-N 1 2 343.391 1.057 20 30 EDEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821689269 593915210 /nfs/dbraw/zinc/91/52/10/593915210.db2.gz SZBXMCAGRBKXHN-UHFFFAOYSA-N 1 2 343.391 1.057 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000824279397 593974685 /nfs/dbraw/zinc/97/46/85/593974685.db2.gz UNMOKWVLSLRBAA-HUUCEWRRSA-N 1 2 330.432 1.981 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000824279397 593974686 /nfs/dbraw/zinc/97/46/86/593974686.db2.gz UNMOKWVLSLRBAA-HUUCEWRRSA-N 1 2 330.432 1.981 20 30 EDEDLO C#Cc1cccc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC000822016833 593982851 /nfs/dbraw/zinc/98/28/51/593982851.db2.gz FAIKTEFRRSCUNZ-MSOLQXFVSA-N 1 2 328.412 1.164 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)N(CCC)C(=O)OC(C)(C)C)CC1 ZINC000823306465 594182931 /nfs/dbraw/zinc/18/29/31/594182931.db2.gz UHONJAFPTZXWMY-HNNXBMFYSA-N 1 2 337.464 1.799 20 30 EDEDLO COc1ccc(C=NNC2=[NH+][C@H]3CCCC[C@H]3N2)cc1-c1nn[nH]n1 ZINC000826191018 594369226 /nfs/dbraw/zinc/36/92/26/594369226.db2.gz UPPYRNNYNNJGIT-BETUJISGSA-N 1 2 340.391 1.069 20 30 EDEDLO C#Cc1cnc(N2CC[NH+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)nc1 ZINC000827328293 594661449 /nfs/dbraw/zinc/66/14/49/594661449.db2.gz QZMOXQISKIWYKS-HOTGVXAUSA-N 1 2 341.459 1.084 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000831691657 594693106 /nfs/dbraw/zinc/69/31/06/594693106.db2.gz SYJCUTNGYTZZRO-HNNXBMFYSA-N 1 2 343.427 1.779 20 30 EDEDLO CN(c1nc(CON=C(N)C[NH+]2CCSCC2)cs1)C1CC1 ZINC000121434984 594866864 /nfs/dbraw/zinc/86/68/64/594866864.db2.gz OEPXZBKJWHZZHY-UHFFFAOYSA-N 1 2 341.506 1.579 20 30 EDEDLO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)N=S(C)(C)=O)C(C)C ZINC000867145754 594883868 /nfs/dbraw/zinc/88/38/68/594883868.db2.gz GZNYOPSJFMWCAJ-CYBMUJFWSA-N 1 2 337.511 1.247 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866496 595007281 /nfs/dbraw/zinc/00/72/81/595007281.db2.gz PYQNEMRMQLGKNS-OWCLPIDISA-N 1 2 325.453 1.937 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000836866496 595007283 /nfs/dbraw/zinc/00/72/83/595007283.db2.gz PYQNEMRMQLGKNS-OWCLPIDISA-N 1 2 325.453 1.937 20 30 EDEDLO COc1ccc([NH+]2CCC(NC(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 ZINC000106337918 595231111 /nfs/dbraw/zinc/23/11/11/595231111.db2.gz URFKSEKJJRRNPL-KRWDZBQOSA-N 1 2 344.415 1.598 20 30 EDEDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cccc(CC#N)c1 ZINC000842962213 595243774 /nfs/dbraw/zinc/24/37/74/595243774.db2.gz GOANYZJQNBEPHR-YOEHRIQHSA-N 1 2 332.400 1.645 20 30 EDEDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cccc(CC#N)c1 ZINC000842962213 595243776 /nfs/dbraw/zinc/24/37/76/595243776.db2.gz GOANYZJQNBEPHR-YOEHRIQHSA-N 1 2 332.400 1.645 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)OC[C@@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000835197822 595277794 /nfs/dbraw/zinc/27/77/94/595277794.db2.gz VVRNHWNVLJSIPL-AWEZNQCLSA-N 1 2 347.415 1.860 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)OC[C@@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000835197822 595277797 /nfs/dbraw/zinc/27/77/97/595277797.db2.gz VVRNHWNVLJSIPL-AWEZNQCLSA-N 1 2 347.415 1.860 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)CC2)cn1 ZINC000844325216 595324486 /nfs/dbraw/zinc/32/44/86/595324486.db2.gz VGFKEVRBWYPOFJ-MRXNPFEDSA-N 1 2 327.388 1.058 20 30 EDEDLO C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)c1cccc(Cl)c1 ZINC000848138167 595326880 /nfs/dbraw/zinc/32/68/80/595326880.db2.gz JYWLMCWXDDRARD-CHWSQXEVSA-N 1 2 325.796 1.439 20 30 EDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368897 595331922 /nfs/dbraw/zinc/33/19/22/595331922.db2.gz TYTYBAMNSCSCOA-OAHLLOKOSA-N 1 2 327.388 1.502 20 30 EDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368897 595331924 /nfs/dbraw/zinc/33/19/24/595331924.db2.gz TYTYBAMNSCSCOA-OAHLLOKOSA-N 1 2 327.388 1.502 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCOc3c(C)cc(C)cc32)CC1 ZINC000844422715 595340901 /nfs/dbraw/zinc/34/09/01/595340901.db2.gz IGVUNGLJHNPNRB-UHFFFAOYSA-N 1 2 327.428 1.280 20 30 EDEDLO C=C1c2ccccc2C(=O)N1CCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844528764 595355696 /nfs/dbraw/zinc/35/56/96/595355696.db2.gz LCTLAHSXTBLSLU-GOSISDBHSA-N 1 2 326.400 1.463 20 30 EDEDLO COc1cccc([C@H](C#N)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1OC ZINC000847444772 595420975 /nfs/dbraw/zinc/42/09/75/595420975.db2.gz KWPNFWVGIPMUHE-FZMZJTMJSA-N 1 2 328.372 1.987 20 30 EDEDLO COc1cccc([C@H](C#N)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1OC ZINC000847444772 595420977 /nfs/dbraw/zinc/42/09/77/595420977.db2.gz KWPNFWVGIPMUHE-FZMZJTMJSA-N 1 2 328.372 1.987 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)ccn12 ZINC000848780424 595446355 /nfs/dbraw/zinc/44/63/55/595446355.db2.gz HJGNBQHTEIOHPP-KRWDZBQOSA-N 1 2 326.356 1.608 20 30 EDEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000845226460 595464616 /nfs/dbraw/zinc/46/46/16/595464616.db2.gz REAYFNOLPXAGBH-CABCVRRESA-N 1 2 325.372 1.575 20 30 EDEDLO C#CCOc1ccc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000108521258 595513366 /nfs/dbraw/zinc/51/33/66/595513366.db2.gz QXKBOVKZTKAXNM-HUUCEWRRSA-N 1 2 331.416 1.929 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC000857620951 595560666 /nfs/dbraw/zinc/56/06/66/595560666.db2.gz ZQWBNCHIBJFPEI-OAHLLOKOSA-N 1 2 348.357 1.454 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCNc2cc(Cl)ccc2OC)CC1 ZINC000112920443 595569214 /nfs/dbraw/zinc/56/92/14/595569214.db2.gz BSWKNGQKLZCDPG-UHFFFAOYSA-N 1 2 335.835 1.928 20 30 EDEDLO N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000855304181 595667995 /nfs/dbraw/zinc/66/79/95/595667995.db2.gz GGEVMLYFIDKJCZ-LIRRHRJNSA-N 1 2 335.411 1.994 20 30 EDEDLO N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000855304181 595667999 /nfs/dbraw/zinc/66/79/99/595667999.db2.gz GGEVMLYFIDKJCZ-LIRRHRJNSA-N 1 2 335.411 1.994 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000857988313 595678874 /nfs/dbraw/zinc/67/88/74/595678874.db2.gz IIZAWYUQHGGCEJ-AWEZNQCLSA-N 1 2 346.412 1.222 20 30 EDEDLO C[C@@H]1C[N@H+](CCNc2cc(Br)cnc2C#N)CCO1 ZINC000853251390 595719947 /nfs/dbraw/zinc/71/99/47/595719947.db2.gz VXCWPGDVRBOEFH-SNVBAGLBSA-N 1 2 325.210 1.848 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNc2cc(Br)cnc2C#N)CCO1 ZINC000853251390 595719951 /nfs/dbraw/zinc/71/99/51/595719951.db2.gz VXCWPGDVRBOEFH-SNVBAGLBSA-N 1 2 325.210 1.848 20 30 EDEDLO C#CCCCOc1cccnc1N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000853290272 595729514 /nfs/dbraw/zinc/72/95/14/595729514.db2.gz VTKIZSVLHOPTKF-UHFFFAOYSA-N 1 2 339.443 1.930 20 30 EDEDLO O=C1Nc2cc(O)c(Cl)cc2C1=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000853324380 595735274 /nfs/dbraw/zinc/73/52/74/595735274.db2.gz DAPQWGPNYNKHLO-UWVGGRQHSA-N 1 2 333.779 1.562 20 30 EDEDLO C#CCCCOc1cccnc1N1CCC[N@@H+](CC(=O)OCC)CC1 ZINC000853374987 595744940 /nfs/dbraw/zinc/74/49/40/595744940.db2.gz XOSFTYVARAKVDY-UHFFFAOYSA-N 1 2 345.443 1.949 20 30 EDEDLO C#CCCCOc1cccnc1N1CCC[N@H+](CC(=O)OCC)CC1 ZINC000853374987 595744942 /nfs/dbraw/zinc/74/49/42/595744942.db2.gz XOSFTYVARAKVDY-UHFFFAOYSA-N 1 2 345.443 1.949 20 30 EDEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccncc2F)c(N2CCCC2)n1 ZINC000853402127 595747827 /nfs/dbraw/zinc/74/78/27/595747827.db2.gz OLEZUAHDSACPLW-UHFFFAOYSA-N 1 2 335.774 1.714 20 30 EDEDLO Cn1c(CC#N)nn(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1=S ZINC000853623896 595836754 /nfs/dbraw/zinc/83/67/54/595836754.db2.gz WECAIRPMRAWSAN-IYBDPMFKSA-N 1 2 333.461 1.867 20 30 EDEDLO Cn1c(CC#N)nn(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1=S ZINC000853623896 595836756 /nfs/dbraw/zinc/83/67/56/595836756.db2.gz WECAIRPMRAWSAN-IYBDPMFKSA-N 1 2 333.461 1.867 20 30 EDEDLO C=CCCONC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000856032829 595878523 /nfs/dbraw/zinc/87/85/23/595878523.db2.gz SDNWJMBTXWZSDE-UHFFFAOYSA-N 1 2 332.404 1.134 20 30 EDEDLO COc1ccc(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1C#N ZINC000853882042 595910251 /nfs/dbraw/zinc/91/02/51/595910251.db2.gz RKWNNDQGJGSMIZ-KGLIPLIRSA-N 1 2 346.431 1.475 20 30 EDEDLO COc1ccc(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1C#N ZINC000853882042 595910252 /nfs/dbraw/zinc/91/02/52/595910252.db2.gz RKWNNDQGJGSMIZ-KGLIPLIRSA-N 1 2 346.431 1.475 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCc1ccc(C#N)cn1)C(C)(C)CO ZINC000854009754 595951864 /nfs/dbraw/zinc/95/18/64/595951864.db2.gz FADZDQFHZCBBKZ-AWEZNQCLSA-N 1 2 342.403 1.246 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000854078474 595969490 /nfs/dbraw/zinc/96/94/90/595969490.db2.gz CLMUOKIBECDTTH-LBPRGKRZSA-N 1 2 332.404 1.254 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000854078474 595969493 /nfs/dbraw/zinc/96/94/93/595969493.db2.gz CLMUOKIBECDTTH-LBPRGKRZSA-N 1 2 332.404 1.254 20 30 EDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC000854102896 595976193 /nfs/dbraw/zinc/97/61/93/595976193.db2.gz BHZYGRAAYCSYEP-MRXNPFEDSA-N 1 2 341.415 1.784 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000859324461 596051293 /nfs/dbraw/zinc/05/12/93/596051293.db2.gz LJQWJRDYKAGNNU-OAHLLOKOSA-N 1 2 333.432 1.699 20 30 EDEDLO CS(=O)(=O)c1cccc(NC(=O)CO[NH+]=C(N)c2ccccc2)c1 ZINC000008221148 596064312 /nfs/dbraw/zinc/06/43/12/596064312.db2.gz ZSPWHULICILDDL-UHFFFAOYSA-N 1 2 347.396 1.366 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000852331415 596127991 /nfs/dbraw/zinc/12/79/91/596127991.db2.gz YRIUSFBQHQCRHV-VQIMIIECSA-N 1 2 345.443 1.495 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)COC2CCOCC2)C1 ZINC000852331415 596127994 /nfs/dbraw/zinc/12/79/94/596127994.db2.gz YRIUSFBQHQCRHV-VQIMIIECSA-N 1 2 345.443 1.495 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](N4CCOC4=O)C3)o2)c1 ZINC000852433702 596159184 /nfs/dbraw/zinc/15/91/84/596159184.db2.gz URLMKCOHJUESBB-AWEZNQCLSA-N 1 2 339.355 1.635 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H](N4CCOC4=O)C3)o2)c1 ZINC000852433702 596159185 /nfs/dbraw/zinc/15/91/85/596159185.db2.gz URLMKCOHJUESBB-AWEZNQCLSA-N 1 2 339.355 1.635 20 30 EDEDLO N#CCOc1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854730770 596178808 /nfs/dbraw/zinc/17/88/08/596178808.db2.gz QLRDUANKKHSCCV-OAHLLOKOSA-N 1 2 329.400 1.526 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000852680542 596226182 /nfs/dbraw/zinc/22/61/82/596226182.db2.gz XEYBNNREPIOUFZ-YJBOKZPZSA-N 1 2 341.411 1.717 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000852680542 596226183 /nfs/dbraw/zinc/22/61/83/596226183.db2.gz XEYBNNREPIOUFZ-YJBOKZPZSA-N 1 2 341.411 1.717 20 30 EDEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000852751652 596237749 /nfs/dbraw/zinc/23/77/49/596237749.db2.gz CMCMRGBRZLTNSE-UHFFFAOYSA-N 1 2 335.360 1.514 20 30 EDEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000852751652 596237750 /nfs/dbraw/zinc/23/77/50/596237750.db2.gz CMCMRGBRZLTNSE-UHFFFAOYSA-N 1 2 335.360 1.514 20 30 EDEDLO COc1cccc([C@@H](C#N)NC(=O)/C=C\C[NH+]2CCOCC2)c1OC ZINC000865175160 596500755 /nfs/dbraw/zinc/50/07/55/596500755.db2.gz OTBUZOZOXLPXKG-IJVDHGTGSA-N 1 2 345.399 1.273 20 30 EDEDLO CC(=[NH+]N[C@@H]1CCCS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1N ZINC000863135818 596508351 /nfs/dbraw/zinc/50/83/51/596508351.db2.gz PAORTVTVMRGTCU-SNVBAGLBSA-N 1 2 326.378 1.068 20 30 EDEDLO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCF)C2)ccc1C#N ZINC000867713036 596510765 /nfs/dbraw/zinc/51/07/65/596510765.db2.gz LKIOBDDVLDWEIE-CQSZACIVSA-N 1 2 325.409 1.579 20 30 EDEDLO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCF)C2)ccc1C#N ZINC000867713036 596510766 /nfs/dbraw/zinc/51/07/66/596510766.db2.gz LKIOBDDVLDWEIE-CQSZACIVSA-N 1 2 325.409 1.579 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2Cc2cc(C)on2)CC1 ZINC000871534546 596617448 /nfs/dbraw/zinc/61/74/48/596617448.db2.gz JNJRAVIGTGQJKK-UHFFFAOYSA-N 1 2 342.447 1.577 20 30 EDEDLO CO[C@H]1C[C@@H](CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000871729624 596679415 /nfs/dbraw/zinc/67/94/15/596679415.db2.gz WPQTXRUAZPECGJ-WOVMCDHWSA-N 1 2 333.432 1.581 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(CC#N)ccn1 ZINC000871732290 596680968 /nfs/dbraw/zinc/68/09/68/596680968.db2.gz XZCPPAXVVVUJEA-ZFWWWQNUSA-N 1 2 329.404 1.475 20 30 EDEDLO Fc1cncnc1N=NCc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872377011 596896308 /nfs/dbraw/zinc/89/63/08/596896308.db2.gz PYJFTZWNGOIXEH-UHFFFAOYSA-N 1 2 345.378 1.773 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3CCC4(CCC4)C3=O)CC2)nc1 ZINC000872565235 596967734 /nfs/dbraw/zinc/96/77/34/596967734.db2.gz QCRHALCEMGXAKK-UHFFFAOYSA-N 1 2 325.416 1.435 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000874348640 597026925 /nfs/dbraw/zinc/02/69/25/597026925.db2.gz YAIVTLFYQQOFTC-OAHLLOKOSA-N 1 2 344.415 1.032 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(C#N)ccc1C ZINC000874348640 597026928 /nfs/dbraw/zinc/02/69/28/597026928.db2.gz YAIVTLFYQQOFTC-OAHLLOKOSA-N 1 2 344.415 1.032 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)COc1ccc(C#N)cc1OC ZINC000874700475 597143689 /nfs/dbraw/zinc/14/36/89/597143689.db2.gz PRQKVWCPUDWKCT-OAHLLOKOSA-N 1 2 347.415 1.173 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)COc1ccc(C#N)cc1OC ZINC000874700475 597143692 /nfs/dbraw/zinc/14/36/92/597143692.db2.gz PRQKVWCPUDWKCT-OAHLLOKOSA-N 1 2 347.415 1.173 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000874705660 597150148 /nfs/dbraw/zinc/15/01/48/597150148.db2.gz GOQZVFDENOKYBJ-ROUUACIJSA-N 1 2 340.427 1.468 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000874705660 597150149 /nfs/dbraw/zinc/15/01/49/597150149.db2.gz GOQZVFDENOKYBJ-ROUUACIJSA-N 1 2 340.427 1.468 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000874711621 597156751 /nfs/dbraw/zinc/15/67/51/597156751.db2.gz MRQFGKSRFRTUOT-HNNXBMFYSA-N 1 2 326.400 1.880 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000874711621 597156753 /nfs/dbraw/zinc/15/67/53/597156753.db2.gz MRQFGKSRFRTUOT-HNNXBMFYSA-N 1 2 326.400 1.880 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC1 ZINC000876440471 597206820 /nfs/dbraw/zinc/20/68/20/597206820.db2.gz CUGLQWSTGJMTKB-SAABIXHNSA-N 1 2 333.476 1.932 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000124573339 597313264 /nfs/dbraw/zinc/31/32/64/597313264.db2.gz AKAAPXDXTUJNEW-CYBMUJFWSA-N 1 2 339.361 1.965 20 30 EDEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000877553083 597534634 /nfs/dbraw/zinc/53/46/34/597534634.db2.gz ZEJJKBKMDWGYIR-CQSZACIVSA-N 1 2 332.795 1.528 20 30 EDEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000877553083 597534636 /nfs/dbraw/zinc/53/46/36/597534636.db2.gz ZEJJKBKMDWGYIR-CQSZACIVSA-N 1 2 332.795 1.528 20 30 EDEDLO COc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)cc1C#N ZINC000877784574 597556110 /nfs/dbraw/zinc/55/61/10/597556110.db2.gz IHPBFVMGCHTCDV-IRXDYDNUSA-N 1 2 332.400 1.919 20 30 EDEDLO COc1ccc(C[N@H+]2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)cc1C#N ZINC000877784574 597556111 /nfs/dbraw/zinc/55/61/11/597556111.db2.gz IHPBFVMGCHTCDV-IRXDYDNUSA-N 1 2 332.400 1.919 20 30 EDEDLO C=CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000877909947 597563478 /nfs/dbraw/zinc/56/34/78/597563478.db2.gz MWTFCTWIOCSTPJ-ZDUSSCGKSA-N 1 2 339.417 1.866 20 30 EDEDLO C#C[C@H](CO)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878300793 597593805 /nfs/dbraw/zinc/59/38/05/597593805.db2.gz IHCDSVPIOBZTAB-IJEWVQPXSA-N 1 2 331.416 1.411 20 30 EDEDLO C#C[C@H](CO)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000878300793 597593806 /nfs/dbraw/zinc/59/38/06/597593806.db2.gz IHCDSVPIOBZTAB-IJEWVQPXSA-N 1 2 331.416 1.411 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)CC(=O)NC(C)C ZINC000131022793 597655562 /nfs/dbraw/zinc/65/55/62/597655562.db2.gz NOPBHLDDAYGZHH-UHFFFAOYSA-N 1 2 326.404 1.539 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)CC(=O)NC(C)C ZINC000131022793 597655565 /nfs/dbraw/zinc/65/55/65/597655565.db2.gz NOPBHLDDAYGZHH-UHFFFAOYSA-N 1 2 326.404 1.539 20 30 EDEDLO COC[C@]1(C(=O)OC)CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000879028699 597791266 /nfs/dbraw/zinc/79/12/66/597791266.db2.gz LCAGXLKHPWFAEX-WMZOPIPTSA-N 1 2 332.400 1.636 20 30 EDEDLO COC[C@]1(C(=O)OC)CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000879028699 597791269 /nfs/dbraw/zinc/79/12/69/597791269.db2.gz LCAGXLKHPWFAEX-WMZOPIPTSA-N 1 2 332.400 1.636 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880029725 597815641 /nfs/dbraw/zinc/81/56/41/597815641.db2.gz UTZVPKPKAQTFHY-UHFFFAOYSA-N 1 2 328.416 1.765 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880029725 597815643 /nfs/dbraw/zinc/81/56/43/597815643.db2.gz UTZVPKPKAQTFHY-UHFFFAOYSA-N 1 2 328.416 1.765 20 30 EDEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000880480619 597942146 /nfs/dbraw/zinc/94/21/46/597942146.db2.gz YUYMSYUXBJYBLV-UHFFFAOYSA-N 1 2 330.384 1.262 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880584691 597971399 /nfs/dbraw/zinc/97/13/99/597971399.db2.gz RBFLMWIIYJLGEX-ZDUSSCGKSA-N 1 2 335.429 1.422 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880584691 597971400 /nfs/dbraw/zinc/97/14/00/597971400.db2.gz RBFLMWIIYJLGEX-ZDUSSCGKSA-N 1 2 335.429 1.422 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCOc2c(OC)cccc21 ZINC000884119415 597999966 /nfs/dbraw/zinc/99/99/66/597999966.db2.gz LMJOSLPZSDHNGD-STQMWFEESA-N 1 2 334.372 1.082 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000884147152 598007895 /nfs/dbraw/zinc/00/78/95/598007895.db2.gz AUBMJWUUCLRDOP-XPKDYRNWSA-N 1 2 334.391 1.977 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](OC)c1ccc(Cl)cc1 ZINC000884153420 598009607 /nfs/dbraw/zinc/00/96/07/598009607.db2.gz KNHRVJGPDRFXSP-UONOGXRCSA-N 1 2 340.807 1.590 20 30 EDEDLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)CCCCC#N)CC1 ZINC000882735643 598037958 /nfs/dbraw/zinc/03/79/58/598037958.db2.gz OCVCSABAGTWTSP-UHFFFAOYSA-N 1 2 345.509 1.833 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000884306660 598060657 /nfs/dbraw/zinc/06/06/57/598060657.db2.gz KKTNONHNVWNCFB-INIZCTEOSA-N 1 2 345.443 1.399 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882837227 598074750 /nfs/dbraw/zinc/07/47/50/598074750.db2.gz BZMNIALTLLZDSC-HOCLYGCPSA-N 1 2 347.444 1.693 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnn(C)c2OC)[C@H]1C ZINC000994295156 696722813 /nfs/dbraw/zinc/72/28/13/696722813.db2.gz KSNUVTRYQRPRSL-YPMHNXCESA-N 1 2 326.828 1.764 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(C)c2OC)[C@H]1C ZINC000994295156 696722816 /nfs/dbraw/zinc/72/28/16/696722816.db2.gz KSNUVTRYQRPRSL-YPMHNXCESA-N 1 2 326.828 1.764 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000914351845 695372702 /nfs/dbraw/zinc/37/27/02/695372702.db2.gz NYQBVUSOPWPBKT-UHFFFAOYSA-N 1 2 330.413 1.758 20 30 EDEDLO C=CCn1cc(C(=O)NC2C[NH+]([C@H](C)c3ccccc3C)C2)nn1 ZINC001031069840 695460309 /nfs/dbraw/zinc/46/03/09/695460309.db2.gz BJWJBBVZHWPXQV-CQSZACIVSA-N 1 2 325.416 1.948 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001031088084 695494549 /nfs/dbraw/zinc/49/45/49/695494549.db2.gz JTPCKVIOEIJQGS-ROUUACIJSA-N 1 2 330.428 1.461 20 30 EDEDLO CC(=O)OC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000153395742 695674469 /nfs/dbraw/zinc/67/44/69/695674469.db2.gz MLOGJMQTHHCDML-CQSZACIVSA-N 1 2 333.413 1.753 20 30 EDEDLO Cc1cnc(C[N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)cn1 ZINC000993170859 695721384 /nfs/dbraw/zinc/72/13/84/695721384.db2.gz ODRDONTWGKWZNJ-XJKSGUPXSA-N 1 2 338.415 1.768 20 30 EDEDLO Cc1cnc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@@H]2C)cn1 ZINC000993170859 695721385 /nfs/dbraw/zinc/72/13/85/695721385.db2.gz ODRDONTWGKWZNJ-XJKSGUPXSA-N 1 2 338.415 1.768 20 30 EDEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](CCc2ccccc2)C1 ZINC001031276003 696102103 /nfs/dbraw/zinc/10/21/03/696102103.db2.gz GCRAPODMYGHXFG-UHFFFAOYSA-N 1 2 335.407 1.750 20 30 EDEDLO N#Cc1cncc(NC2CCC(NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001060597502 696202043 /nfs/dbraw/zinc/20/20/43/696202043.db2.gz MSZQTVIWKDRHGH-UHFFFAOYSA-N 1 2 325.376 1.084 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)CC)C1 ZINC000993636212 696271000 /nfs/dbraw/zinc/27/10/00/696271000.db2.gz MYSOZYVUJMMVBM-HBUWYVDXSA-N 1 2 332.448 1.843 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)[C@@H]2C)cc1 ZINC000993665399 696295572 /nfs/dbraw/zinc/29/55/72/696295572.db2.gz GQZFWTYNJKTJDK-RDTXWAMCSA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)[C@@H]2C)cc1 ZINC000993665399 696295574 /nfs/dbraw/zinc/29/55/74/696295574.db2.gz GQZFWTYNJKTJDK-RDTXWAMCSA-N 1 2 337.427 1.579 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccoc2CC(N)=O)[C@@H]1C ZINC000993699793 696334711 /nfs/dbraw/zinc/33/47/11/696334711.db2.gz ALVJSSNWUXXVHR-AAEUAGOBSA-N 1 2 339.823 1.643 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CC(N)=O)[C@@H]1C ZINC000993699793 696334714 /nfs/dbraw/zinc/33/47/14/696334714.db2.gz ALVJSSNWUXXVHR-AAEUAGOBSA-N 1 2 339.823 1.643 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccnn3C)[C@@H]2C)nc1 ZINC000994255729 696660198 /nfs/dbraw/zinc/66/01/98/696660198.db2.gz QPHOXFMHZNSGBJ-RHSMWYFYSA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccnn3C)[C@@H]2C)nc1 ZINC000994255729 696660199 /nfs/dbraw/zinc/66/01/99/696660199.db2.gz QPHOXFMHZNSGBJ-RHSMWYFYSA-N 1 2 337.427 1.579 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)C3CCOCC3)C2)c1 ZINC001031512955 697192737 /nfs/dbraw/zinc/19/27/37/697192737.db2.gz APQBREXSCMONAM-UHFFFAOYSA-N 1 2 331.391 1.672 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)c1cnns1 ZINC001031564403 697255406 /nfs/dbraw/zinc/25/54/06/697255406.db2.gz MMXYCLMOEKNEPR-UHFFFAOYSA-N 1 2 346.843 1.905 20 30 EDEDLO CC[N@H+]1[C@H](C)CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000919579912 697299749 /nfs/dbraw/zinc/29/97/49/697299749.db2.gz KIEYPBWWTTUKQT-TXEJJXNPSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@@H+]1[C@H](C)CN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000919579912 697299750 /nfs/dbraw/zinc/29/97/50/697299750.db2.gz KIEYPBWWTTUKQT-TXEJJXNPSA-N 1 2 325.409 1.801 20 30 EDEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001060736092 697332401 /nfs/dbraw/zinc/33/24/01/697332401.db2.gz VICWOIVKVYHIEJ-VGWMRTNUSA-N 1 2 345.447 1.785 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060754902 698219023 /nfs/dbraw/zinc/21/90/23/698219023.db2.gz KIKIUKRSNLBBAJ-IIDMSEBBSA-N 1 2 348.447 1.001 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C)on3)C[C@H]2C)nn1 ZINC000943480754 698388565 /nfs/dbraw/zinc/38/85/65/698388565.db2.gz GFEWJNWTXUGECK-IUODEOHRSA-N 1 2 344.419 1.401 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C)on3)C[C@H]2C)nn1 ZINC000943480754 698388569 /nfs/dbraw/zinc/38/85/69/698388569.db2.gz GFEWJNWTXUGECK-IUODEOHRSA-N 1 2 344.419 1.401 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000938712199 698557817 /nfs/dbraw/zinc/55/78/17/698557817.db2.gz PYIPVHCAWWLSDE-STQMWFEESA-N 1 2 330.432 1.759 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)CC2)C1 ZINC000941470778 701549866 /nfs/dbraw/zinc/54/98/66/701549866.db2.gz HFEYUZGKUFINQW-UHFFFAOYSA-N 1 2 343.475 1.173 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccnc3C(F)F)CC2)C1 ZINC000941483766 701554329 /nfs/dbraw/zinc/55/43/29/701554329.db2.gz HBKFHRMGJHAALN-UHFFFAOYSA-N 1 2 334.370 1.094 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3cccc(OC)c3)CC2)C1 ZINC000941484577 701554743 /nfs/dbraw/zinc/55/47/43/701554743.db2.gz AMSOVTZBSWAWDG-UHFFFAOYSA-N 1 2 341.455 1.089 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[C@H]3C3CC3)CC2)C1 ZINC000941499261 701560822 /nfs/dbraw/zinc/56/08/22/701560822.db2.gz PSAKMSIAEQNIDT-OALUTQOASA-N 1 2 329.488 1.664 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000939008597 699059956 /nfs/dbraw/zinc/05/99/56/699059956.db2.gz KNIJVJHAUHVCKH-CYBMUJFWSA-N 1 2 332.448 1.959 20 30 EDEDLO CC(C)(CNC(=O)NCc1ccc(OCC#N)cc1)[NH+]1CCOCC1 ZINC000069225552 699156409 /nfs/dbraw/zinc/15/64/09/699156409.db2.gz AVTPWFKGFAJHKC-UHFFFAOYSA-N 1 2 346.431 1.499 20 30 EDEDLO CO[C@H]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031793820 699277080 /nfs/dbraw/zinc/27/70/80/699277080.db2.gz OUQCYLSCVQPDHI-MSOLQXFVSA-N 1 2 327.428 1.921 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3(C(C)(F)F)CC3)CC2)C1 ZINC000941570981 701580867 /nfs/dbraw/zinc/58/08/67/701580867.db2.gz HVZHATYYIBCCPG-UHFFFAOYSA-N 1 2 325.403 1.274 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C(C)C)cn3)CC2)C1 ZINC000941566337 701585119 /nfs/dbraw/zinc/58/51/19/701585119.db2.gz BZFQPPNVEYJCCW-UHFFFAOYSA-N 1 2 326.444 1.280 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)CC2)C1 ZINC000941596957 701598455 /nfs/dbraw/zinc/59/84/55/701598455.db2.gz VBYUZIDNRJRCTG-HSALFYBXSA-N 1 2 335.451 1.034 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCO[C@H](CC)C3)CC2)C1 ZINC000941632653 701600914 /nfs/dbraw/zinc/60/09/14/701600914.db2.gz MXHHDRCMACADGE-SJLPKXTDSA-N 1 2 333.476 1.043 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3csnn3)C2)nc1 ZINC000939553793 699703959 /nfs/dbraw/zinc/70/39/59/699703959.db2.gz CHDMMURMXYTXPU-ABAIWWIYSA-N 1 2 327.413 1.165 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3)CC2)C1 ZINC000941660693 701608186 /nfs/dbraw/zinc/60/81/86/701608186.db2.gz VDBIHHRPYKXCHG-QGZVFWFLSA-N 1 2 341.455 1.224 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)C1 ZINC000941665378 701619181 /nfs/dbraw/zinc/61/91/81/701619181.db2.gz VLQQJTITKVDZQW-UHFFFAOYSA-N 1 2 337.467 1.641 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)n3c(C)ccc3C)CC2)C1 ZINC000941677709 701616056 /nfs/dbraw/zinc/61/60/56/701616056.db2.gz USMGSZYDBGBWTP-SFHVURJKSA-N 1 2 342.487 1.518 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)C1 ZINC000945431941 700278359 /nfs/dbraw/zinc/27/83/59/700278359.db2.gz MAYCSHYFWOLGQC-ZFWWWQNUSA-N 1 2 344.459 1.970 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3csc(CC(C)C)n3)CC2)C1 ZINC000941682274 701627125 /nfs/dbraw/zinc/62/71/25/701627125.db2.gz LOOOTOJZMKFKPH-UHFFFAOYSA-N 1 2 346.500 1.417 20 30 EDEDLO C=C(Cl)CN1CC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920442 701045649 /nfs/dbraw/zinc/04/56/49/701045649.db2.gz FSCLKSZKHCEGIR-MRXNPFEDSA-N 1 2 341.883 1.430 20 30 EDEDLO C=C(Cl)CN1CC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920442 701045650 /nfs/dbraw/zinc/04/56/50/701045650.db2.gz FSCLKSZKHCEGIR-MRXNPFEDSA-N 1 2 341.883 1.430 20 30 EDEDLO O=C(C#CC1CC1)N1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000941004314 701047657 /nfs/dbraw/zinc/04/76/57/701047657.db2.gz XSEBCZOVULHMQG-HNNXBMFYSA-N 1 2 340.427 1.304 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCN(C2C[NH+](Cc3ccccc3F)C2)CC1 ZINC000941345161 701480861 /nfs/dbraw/zinc/48/08/61/701480861.db2.gz PMZGMJQEGNFMGS-CQSZACIVSA-N 1 2 330.407 1.314 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3sccc3Cl)CC2)C1 ZINC000941417023 701530610 /nfs/dbraw/zinc/53/06/10/701530610.db2.gz SUVGSLBQPMRIBJ-UHFFFAOYSA-N 1 2 337.876 1.867 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)oc4ccccc43)CC2)C1 ZINC000941419753 701532309 /nfs/dbraw/zinc/53/23/09/701532309.db2.gz DCFRXZVSSUIPAI-UHFFFAOYSA-N 1 2 337.423 1.816 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)nc1 ZINC001032135415 701896542 /nfs/dbraw/zinc/89/65/42/701896542.db2.gz TYJRRMSLWDIFDT-UHFFFAOYSA-N 1 2 347.393 1.915 20 30 EDEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)C[C@@H]1C ZINC000944445590 702034144 /nfs/dbraw/zinc/03/41/44/702034144.db2.gz PYOOTXBODPXFQP-KBXCAEBGSA-N 1 2 338.411 1.620 20 30 EDEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](Cc2cnon2)C[C@@H]1C ZINC000944445590 702034149 /nfs/dbraw/zinc/03/41/49/702034149.db2.gz PYOOTXBODPXFQP-KBXCAEBGSA-N 1 2 338.411 1.620 20 30 EDEDLO CCn1ncc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)n1 ZINC000941967482 702227636 /nfs/dbraw/zinc/22/76/36/702227636.db2.gz SCPZOJWSXPXDRI-IUODEOHRSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)n1 ZINC000941967482 702227639 /nfs/dbraw/zinc/22/76/39/702227639.db2.gz SCPZOJWSXPXDRI-IUODEOHRSA-N 1 2 341.419 1.138 20 30 EDEDLO Cc1noc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)n1 ZINC000941967058 702227814 /nfs/dbraw/zinc/22/78/14/702227814.db2.gz PPBRYWHBTABBIT-MFKMUULPSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1noc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)n1 ZINC000941967058 702227817 /nfs/dbraw/zinc/22/78/17/702227817.db2.gz PPBRYWHBTABBIT-MFKMUULPSA-N 1 2 328.376 1.218 20 30 EDEDLO Cn1cncc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031986661 702385366 /nfs/dbraw/zinc/38/53/66/702385366.db2.gz BGHVQYXEIZBNMC-QZTJIDSGSA-N 1 2 349.438 1.643 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000942362929 702864452 /nfs/dbraw/zinc/86/44/52/702864452.db2.gz AMNDVMRNSHJSCR-ZIAGYGMSSA-N 1 2 342.443 1.903 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2c(c1)OCCO2 ZINC001032316738 703001450 /nfs/dbraw/zinc/00/14/50/703001450.db2.gz DVNRRMOCDLMDFK-SNPRPXQTSA-N 1 2 327.384 1.403 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2c(c1)OCCO2 ZINC001032316738 703001453 /nfs/dbraw/zinc/00/14/53/703001453.db2.gz DVNRRMOCDLMDFK-SNPRPXQTSA-N 1 2 327.384 1.403 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nonc3C)C[C@H]2C)cc1 ZINC000942553274 703065245 /nfs/dbraw/zinc/06/52/45/703065245.db2.gz NXONJWFZETXHCB-CXAGYDPISA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nonc3C)C[C@H]2C)cc1 ZINC000942553274 703065248 /nfs/dbraw/zinc/06/52/48/703065248.db2.gz NXONJWFZETXHCB-CXAGYDPISA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@@H]2C)cc1 ZINC000942553703 703066077 /nfs/dbraw/zinc/06/60/77/703066077.db2.gz SLPCUWAZTLFPOT-KSSFIOAISA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)n3)C[C@@H]2C)cc1 ZINC000942553703 703066079 /nfs/dbraw/zinc/06/60/79/703066079.db2.gz SLPCUWAZTLFPOT-KSSFIOAISA-N 1 2 337.427 1.437 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3cn(CC)nn3)C[C@H]2C)C1 ZINC000942608267 703124089 /nfs/dbraw/zinc/12/40/89/703124089.db2.gz SHLPWSQXABFROV-GDBMZVCRSA-N 1 2 331.464 1.981 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3cn(CC)nn3)C[C@H]2C)C1 ZINC000942608267 703124090 /nfs/dbraw/zinc/12/40/90/703124090.db2.gz SHLPWSQXABFROV-GDBMZVCRSA-N 1 2 331.464 1.981 20 30 EDEDLO C[C@](O)(CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001032363533 703232782 /nfs/dbraw/zinc/23/27/82/703232782.db2.gz LBFUTEUESWMUKB-DEYYWGMASA-N 1 2 345.468 1.956 20 30 EDEDLO C[C@](O)(CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)s1)C1CC1 ZINC001032363533 703232784 /nfs/dbraw/zinc/23/27/84/703232784.db2.gz LBFUTEUESWMUKB-DEYYWGMASA-N 1 2 345.468 1.956 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC001032047682 703303324 /nfs/dbraw/zinc/30/33/24/703303324.db2.gz GDYFZERBQJSGOT-UHFFFAOYSA-N 1 2 331.807 1.681 20 30 EDEDLO CO[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)C1CC1 ZINC001032383884 703365471 /nfs/dbraw/zinc/36/54/71/703365471.db2.gz XWGDLRYMYYXANQ-BZSNNMDCSA-N 1 2 325.412 1.768 20 30 EDEDLO CO[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)C1CC1 ZINC001032383884 703365472 /nfs/dbraw/zinc/36/54/72/703365472.db2.gz XWGDLRYMYYXANQ-BZSNNMDCSA-N 1 2 325.412 1.768 20 30 EDEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001060811738 703458940 /nfs/dbraw/zinc/45/89/40/703458940.db2.gz DZSNLCXEPVHEFV-XGUBFFRZSA-N 1 2 345.447 1.539 20 30 EDEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001060811738 703458941 /nfs/dbraw/zinc/45/89/41/703458941.db2.gz DZSNLCXEPVHEFV-XGUBFFRZSA-N 1 2 345.447 1.539 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C(N)=O)c[nH]2)c1 ZINC001032703591 706753080 /nfs/dbraw/zinc/75/30/80/706753080.db2.gz BHNMIIYPYXBUHH-HOTGVXAUSA-N 1 2 349.394 1.084 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C(N)=O)c[nH]2)c1 ZINC001032703591 706753082 /nfs/dbraw/zinc/75/30/82/706753082.db2.gz BHNMIIYPYXBUHH-HOTGVXAUSA-N 1 2 349.394 1.084 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC000997337073 703572323 /nfs/dbraw/zinc/57/23/23/703572323.db2.gz MZXZNXWHVOREOJ-HZPDHXFCSA-N 1 2 334.379 1.135 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC000997337073 703572324 /nfs/dbraw/zinc/57/23/24/703572324.db2.gz MZXZNXWHVOREOJ-HZPDHXFCSA-N 1 2 334.379 1.135 20 30 EDEDLO CCc1nn(C)cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032464507 703646315 /nfs/dbraw/zinc/64/63/15/703646315.db2.gz LPONIZFFCKCLNQ-IRXDYDNUSA-N 1 2 349.438 1.953 20 30 EDEDLO CCc1nn(C)cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032464507 703646317 /nfs/dbraw/zinc/64/63/17/703646317.db2.gz LPONIZFFCKCLNQ-IRXDYDNUSA-N 1 2 349.438 1.953 20 30 EDEDLO CCc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)CC[C@@H]3C2)no1 ZINC000946589403 704158635 /nfs/dbraw/zinc/15/86/35/704158635.db2.gz XLVNHNXDCDEHNM-IYBDPMFKSA-N 1 2 342.443 1.716 20 30 EDEDLO CCc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)C#CC4CC4)CC[C@@H]3C2)no1 ZINC000946589403 704158637 /nfs/dbraw/zinc/15/86/37/704158637.db2.gz XLVNHNXDCDEHNM-IYBDPMFKSA-N 1 2 342.443 1.716 20 30 EDEDLO Cc1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(C)nn1 ZINC001004450525 704435393 /nfs/dbraw/zinc/43/53/93/704435393.db2.gz MLUDEYPIZYFZOD-KRWDZBQOSA-N 1 2 327.432 1.934 20 30 EDEDLO Cc1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c(C)nn1 ZINC001004450525 704435394 /nfs/dbraw/zinc/43/53/94/704435394.db2.gz MLUDEYPIZYFZOD-KRWDZBQOSA-N 1 2 327.432 1.934 20 30 EDEDLO Cc1cc(OCC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)no1 ZINC001004466261 704457794 /nfs/dbraw/zinc/45/77/94/704457794.db2.gz UIUSBMCNLXNXAA-HNNXBMFYSA-N 1 2 332.404 1.588 20 30 EDEDLO Cc1cc(OCC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)no1 ZINC001004466261 704457796 /nfs/dbraw/zinc/45/77/96/704457796.db2.gz UIUSBMCNLXNXAA-HNNXBMFYSA-N 1 2 332.404 1.588 20 30 EDEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001032539543 704590541 /nfs/dbraw/zinc/59/05/41/704590541.db2.gz SHUSLZIUJNPCES-JYJNAYRXSA-N 1 2 341.883 1.525 20 30 EDEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001032539543 704590542 /nfs/dbraw/zinc/59/05/42/704590542.db2.gz SHUSLZIUJNPCES-JYJNAYRXSA-N 1 2 341.883 1.525 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NCC#N)C1 ZINC000998299885 705704186 /nfs/dbraw/zinc/70/41/86/705704186.db2.gz CYVVDWPRVWLTNG-ZYHUDNBSSA-N 1 2 329.326 1.153 20 30 EDEDLO C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC000998316563 705737411 /nfs/dbraw/zinc/73/74/11/705737411.db2.gz PHSJVOGURUYGGU-CRWXNKLISA-N 1 2 337.383 1.356 20 30 EDEDLO CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)o1 ZINC000998849620 706277620 /nfs/dbraw/zinc/27/76/20/706277620.db2.gz PBVGLAFCCFDDAX-CYBMUJFWSA-N 1 2 342.403 1.787 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2coc(C)n2)C1 ZINC000998928646 706357113 /nfs/dbraw/zinc/35/71/13/706357113.db2.gz PIAJDMXFKMSLPE-PREGVCBESA-N 1 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ZINC001033433327 707823058 /nfs/dbraw/zinc/82/30/58/707823058.db2.gz URQXJGIYJFXBQX-ZACQAIPSSA-N 1 2 332.448 1.527 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001033433327 707823061 /nfs/dbraw/zinc/82/30/61/707823061.db2.gz URQXJGIYJFXBQX-ZACQAIPSSA-N 1 2 332.448 1.527 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2nnc3c2CCCC3)C1 ZINC001033427395 707851028 /nfs/dbraw/zinc/85/10/28/707851028.db2.gz AVKGCYKREZAGKF-CYBMUJFWSA-N 1 2 337.855 1.442 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2nnc3c2CCCC3)C1 ZINC001033427395 707851031 /nfs/dbraw/zinc/85/10/31/707851031.db2.gz AVKGCYKREZAGKF-CYBMUJFWSA-N 1 2 337.855 1.442 20 30 EDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC2=CCN(CC#N)CC2)[nH]n1 ZINC001000708417 708062736 /nfs/dbraw/zinc/06/27/36/708062736.db2.gz FJNGLOZUULMIII-MRXNPFEDSA-N 1 2 328.420 1.062 20 30 EDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC2=CCN(CC#N)CC2)[nH]n1 ZINC001000708417 708062737 /nfs/dbraw/zinc/06/27/37/708062737.db2.gz FJNGLOZUULMIII-MRXNPFEDSA-N 1 2 328.420 1.062 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](CNc3nc(N(C)C)nc(C)[nH+]3)C2)C1 ZINC001060986457 708096352 /nfs/dbraw/zinc/09/63/52/708096352.db2.gz PSXRJAKKORPDJW-AWEZNQCLSA-N 1 2 344.463 1.863 20 30 EDEDLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033519034 708114993 /nfs/dbraw/zinc/11/49/93/708114993.db2.gz RIKOSRWALILQQF-ZDUSSCGKSA-N 1 2 328.351 1.162 20 30 EDEDLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033519034 708114995 /nfs/dbraw/zinc/11/49/95/708114995.db2.gz RIKOSRWALILQQF-ZDUSSCGKSA-N 1 2 328.351 1.162 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001005202576 708188738 /nfs/dbraw/zinc/18/87/38/708188738.db2.gz YAFFHLVEZBCIKD-UONOGXRCSA-N 1 2 332.448 1.908 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001033572662 708243233 /nfs/dbraw/zinc/24/32/33/708243233.db2.gz XPLWVYGZCUHZKW-ZDUSSCGKSA-N 1 2 349.822 1.818 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cn3cccn3)on2)C1 ZINC001033572662 708243235 /nfs/dbraw/zinc/24/32/35/708243235.db2.gz XPLWVYGZCUHZKW-ZDUSSCGKSA-N 1 2 349.822 1.818 20 30 EDEDLO Cc1noc(C[NH+]2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001005223174 708281569 /nfs/dbraw/zinc/28/15/69/708281569.db2.gz FHJVWNJMISRCCL-UHFFFAOYSA-N 1 2 328.376 1.314 20 30 EDEDLO N#Cc1cnccc1NC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001061025820 708297864 /nfs/dbraw/zinc/29/78/64/708297864.db2.gz WBRQTIAPYMICIS-CYBMUJFWSA-N 1 2 346.394 1.826 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]2C)C1 ZINC001005260510 708418196 /nfs/dbraw/zinc/41/81/96/708418196.db2.gz ZNVGXOMQRCRKBY-HOCLYGCPSA-N 1 2 344.459 1.672 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001033651156 708438258 /nfs/dbraw/zinc/43/82/58/708438258.db2.gz YGYYRMALGBSIIO-ZDUSSCGKSA-N 1 2 338.839 1.552 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(=O)n(CCC)n2)C1 ZINC001033651156 708438260 /nfs/dbraw/zinc/43/82/60/708438260.db2.gz YGYYRMALGBSIIO-ZDUSSCGKSA-N 1 2 338.839 1.552 20 30 EDEDLO C=C[C@@H](CC)CC(=O)N1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001061043328 708518565 /nfs/dbraw/zinc/51/85/65/708518565.db2.gz PPPVWZPRLJXXDR-INIZCTEOSA-N 1 2 344.459 1.936 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001033707764 708540319 /nfs/dbraw/zinc/54/03/19/708540319.db2.gz UCRCBYWJYRUKQE-CQSZACIVSA-N 1 2 346.822 1.561 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc(-n3cncn3)c2)C1 ZINC001033707764 708540320 /nfs/dbraw/zinc/54/03/20/708540320.db2.gz UCRCBYWJYRUKQE-CQSZACIVSA-N 1 2 346.822 1.561 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033797403 708728990 /nfs/dbraw/zinc/72/89/90/708728990.db2.gz ZHRCXPHKEJAENW-CQSZACIVSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033797403 708728991 /nfs/dbraw/zinc/72/89/91/708728991.db2.gz ZHRCXPHKEJAENW-CQSZACIVSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001033801898 708794790 /nfs/dbraw/zinc/79/47/90/708794790.db2.gz MQUATKNELQFOJD-ABAIWWIYSA-N 1 2 342.403 1.875 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001033801898 708794792 /nfs/dbraw/zinc/79/47/92/708794792.db2.gz MQUATKNELQFOJD-ABAIWWIYSA-N 1 2 342.403 1.875 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001033849620 708900109 /nfs/dbraw/zinc/90/01/09/708900109.db2.gz ZCWVDCBRNLWBDJ-ZIAGYGMSSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001033849620 708900110 /nfs/dbraw/zinc/90/01/10/708900110.db2.gz ZCWVDCBRNLWBDJ-ZIAGYGMSSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001033899851 709021351 /nfs/dbraw/zinc/02/13/51/709021351.db2.gz CODCRIQEJJJPQI-CYBMUJFWSA-N 1 2 348.838 1.652 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001033899851 709021354 /nfs/dbraw/zinc/02/13/54/709021354.db2.gz CODCRIQEJJJPQI-CYBMUJFWSA-N 1 2 348.838 1.652 20 30 EDEDLO C=CCn1cccc1C(=O)N(C)C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC001005510085 709346552 /nfs/dbraw/zinc/34/65/52/709346552.db2.gz IHVQUPLAXMVMLG-UHFFFAOYSA-N 1 2 342.447 1.539 20 30 EDEDLO Cn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034163588 709436518 /nfs/dbraw/zinc/43/65/18/709436518.db2.gz MXCPNJCHBGHZSC-CQSZACIVSA-N 1 2 326.404 1.404 20 30 EDEDLO Cn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034163588 709436519 /nfs/dbraw/zinc/43/65/19/709436519.db2.gz MXCPNJCHBGHZSC-CQSZACIVSA-N 1 2 326.404 1.404 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001002848254 709458011 /nfs/dbraw/zinc/45/80/11/709458011.db2.gz HJZBYFDALKUNID-CVEARBPZSA-N 1 2 330.432 1.538 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H](C)CO2)CC1 ZINC001003331880 710256257 /nfs/dbraw/zinc/25/62/57/710256257.db2.gz IRCRSOUGNIQZHT-ZWNOBZJWSA-N 1 2 331.254 1.901 20 30 EDEDLO C=CCn1cc(C(=O)NC2CC[NH+](Cc3ccn(CC)n3)CC2)nn1 ZINC001003755162 710537357 /nfs/dbraw/zinc/53/73/57/710537357.db2.gz RAGARXVTTCIFLE-UHFFFAOYSA-N 1 2 343.435 1.075 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCOC2)C1 ZINC001032953964 710936061 /nfs/dbraw/zinc/93/60/61/710936061.db2.gz SEWSFTOPXSUIBW-STQMWFEESA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCOC2)C1 ZINC001032953964 710936063 /nfs/dbraw/zinc/93/60/63/710936063.db2.gz SEWSFTOPXSUIBW-STQMWFEESA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001061797119 710953404 /nfs/dbraw/zinc/95/34/04/710953404.db2.gz KATJQHPSYAQAKR-HIFRSBDPSA-N 1 2 348.447 1.207 20 30 EDEDLO Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)oc1C ZINC001032992146 711177848 /nfs/dbraw/zinc/17/78/48/711177848.db2.gz OZRMDWUHKJOOLG-AWEZNQCLSA-N 1 2 327.388 1.838 20 30 EDEDLO Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)oc1C ZINC001032992146 711177851 /nfs/dbraw/zinc/17/78/51/711177851.db2.gz OZRMDWUHKJOOLG-AWEZNQCLSA-N 1 2 327.388 1.838 20 30 EDEDLO Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)nn1C ZINC001033023731 711380782 /nfs/dbraw/zinc/38/07/82/711380782.db2.gz XFTBRLWAOZKFIW-OAHLLOKOSA-N 1 2 326.404 1.275 20 30 EDEDLO Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3ccc(C#N)[nH]3)C2)nn1C ZINC001033023731 711380786 /nfs/dbraw/zinc/38/07/86/711380786.db2.gz XFTBRLWAOZKFIW-OAHLLOKOSA-N 1 2 326.404 1.275 20 30 EDEDLO C[C@]1(C(=O)NC[C@H](O)C[NH+]2CCOCC2)CCc2ccccc2C1 ZINC000328825744 539370556 /nfs/dbraw/zinc/37/05/56/539370556.db2.gz SAGBBMYFJVSZPJ-HKUYNNGSSA-N 1 2 332.444 1.831 20 30 EDEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCSc2ccccc21 ZINC000328843700 539371550 /nfs/dbraw/zinc/37/15/50/539371550.db2.gz WIVZYYYETCQHHJ-DZGCQCFKSA-N 1 2 336.457 1.916 20 30 EDEDLO O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328940212 539378663 /nfs/dbraw/zinc/37/86/63/539378663.db2.gz SHDQXNVZKNALMK-UONOGXRCSA-N 1 2 326.404 1.861 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000559691353 306257819 /nfs/dbraw/zinc/25/78/19/306257819.db2.gz PQWXWWSMRHLHGW-LBPRGKRZSA-N 1 2 340.387 1.519 20 30 EDEDLO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCCc4[nH]ncc43)CC2)C1=O ZINC000329163237 539418462 /nfs/dbraw/zinc/41/84/62/539418462.db2.gz GJQGUUZOYAVJGP-CJNGLKHVSA-N 1 2 345.447 1.481 20 30 EDEDLO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)sc2nccc(C)c12 ZINC000329417059 539435591 /nfs/dbraw/zinc/43/55/91/539435591.db2.gz ZJJRTFJMUGDDAE-ZDUSSCGKSA-N 1 2 349.456 1.911 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112351917 237120041 /nfs/dbraw/zinc/12/00/41/237120041.db2.gz LROORYCUNCBWLX-CQSZACIVSA-N 1 2 348.472 1.657 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112351917 237120047 /nfs/dbraw/zinc/12/00/47/237120047.db2.gz LROORYCUNCBWLX-CQSZACIVSA-N 1 2 348.472 1.657 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000174572381 237287291 /nfs/dbraw/zinc/28/72/91/237287291.db2.gz HZCQZGUCGUSBGI-GOSISDBHSA-N 1 2 326.444 1.928 20 30 EDEDLO Cn1ccc(N2CCC[C@H](O[NH+]=C(N)c3cccc(Cl)c3)C2=O)n1 ZINC000174100444 237273975 /nfs/dbraw/zinc/27/39/75/237273975.db2.gz VHULXLDHSGKCSB-ZDUSSCGKSA-N 1 2 347.806 1.906 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000565034189 306373490 /nfs/dbraw/zinc/37/34/90/306373490.db2.gz KKVSAXJOCPFEDT-KRWDZBQOSA-N 1 2 338.411 1.992 20 30 EDEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)C1 ZINC000565399140 306382752 /nfs/dbraw/zinc/38/27/52/306382752.db2.gz WJYQTMZFKZYMKN-HNNXBMFYSA-N 1 2 327.432 1.334 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000245400161 139072031 /nfs/dbraw/zinc/07/20/31/139072031.db2.gz BMJNUUARNLZJFR-WCQYABFASA-N 1 2 333.388 1.980 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000245400161 139072032 /nfs/dbraw/zinc/07/20/32/139072032.db2.gz BMJNUUARNLZJFR-WCQYABFASA-N 1 2 333.388 1.980 20 30 EDEDLO Cc1cccc(CNC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000171920114 227363075 /nfs/dbraw/zinc/36/30/75/227363075.db2.gz HQXCSRXTZIAYRB-UHFFFAOYSA-N 1 2 349.438 1.700 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246691530 249311219 /nfs/dbraw/zinc/31/12/19/249311219.db2.gz ZPBVBSJPXSIFBT-KSSFIOAISA-N 1 2 331.416 1.634 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246691530 249311221 /nfs/dbraw/zinc/31/12/21/249311221.db2.gz ZPBVBSJPXSIFBT-KSSFIOAISA-N 1 2 331.416 1.634 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](COC)C1 ZINC000247108597 249314053 /nfs/dbraw/zinc/31/40/53/249314053.db2.gz YGRBKEUGMBQBEN-HUUCEWRRSA-N 1 2 338.473 1.998 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](COC)C1 ZINC000247108597 249314055 /nfs/dbraw/zinc/31/40/55/249314055.db2.gz YGRBKEUGMBQBEN-HUUCEWRRSA-N 1 2 338.473 1.998 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000330507740 249876542 /nfs/dbraw/zinc/87/65/42/249876542.db2.gz FTJBACLJRUCSEH-AWEZNQCLSA-N 1 2 341.452 1.286 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000330507740 249876547 /nfs/dbraw/zinc/87/65/47/249876547.db2.gz FTJBACLJRUCSEH-AWEZNQCLSA-N 1 2 341.452 1.286 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(CC#N)cc2)CC1 ZINC000342764814 250009372 /nfs/dbraw/zinc/00/93/72/250009372.db2.gz JVQQQEYRLUHIET-UHFFFAOYSA-N 1 2 328.460 1.739 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000343141566 250011090 /nfs/dbraw/zinc/01/10/90/250011090.db2.gz ZVUICAQAUCUQBM-UHFFFAOYSA-N 1 2 330.363 1.662 20 30 EDEDLO C=CCSCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000355291231 250110846 /nfs/dbraw/zinc/11/08/46/250110846.db2.gz OAWCXPFKKTUFHK-INIZCTEOSA-N 1 2 347.484 1.537 20 30 EDEDLO C=CCSCCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000355291231 250110850 /nfs/dbraw/zinc/11/08/50/250110850.db2.gz OAWCXPFKKTUFHK-INIZCTEOSA-N 1 2 347.484 1.537 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000355651071 250119016 /nfs/dbraw/zinc/11/90/16/250119016.db2.gz BFYSCKCLKQJPRH-CQSZACIVSA-N 1 2 334.464 1.953 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 ZINC000355711844 250120660 /nfs/dbraw/zinc/12/06/60/250120660.db2.gz UQLAQHKTZXJGPV-SCLBCKFNSA-N 1 2 346.431 1.998 20 30 EDEDLO C=CCOC[C@@H]([NH2+]C1CCC(c2nc(CC)no2)CC1)C(=O)OC ZINC000361106717 250171674 /nfs/dbraw/zinc/17/16/74/250171674.db2.gz GIVXWHWKVIFWTL-JXQTWKCFSA-N 1 2 337.420 1.992 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C(=O)NCCCCC#N)C2 ZINC000359373247 250153197 /nfs/dbraw/zinc/15/31/97/250153197.db2.gz OCXHHXIUSAKACC-ZDUSSCGKSA-N 1 2 345.447 1.422 20 30 EDEDLO C#CCSCCNC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000370933390 250208454 /nfs/dbraw/zinc/20/84/54/250208454.db2.gz CKMPYNKPOVAHEE-UHFFFAOYSA-N 1 2 335.477 1.004 20 30 EDEDLO C#CCSCCNC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000370933390 250208458 /nfs/dbraw/zinc/20/84/58/250208458.db2.gz CKMPYNKPOVAHEE-UHFFFAOYSA-N 1 2 335.477 1.004 20 30 EDEDLO C#CCSCCNC(=O)N1CCC[N@H+](Cc2nccn2C)CC1 ZINC000370933390 250208464 /nfs/dbraw/zinc/20/84/64/250208464.db2.gz CKMPYNKPOVAHEE-UHFFFAOYSA-N 1 2 335.477 1.004 20 30 EDEDLO C=CCN1CC(=O)N([C@@H](c2[nH+]ccn2C)c2ccc(OC)cc2)C1=O ZINC000372873488 250227950 /nfs/dbraw/zinc/22/79/50/250227950.db2.gz OUGDFJBQHJXION-MRXNPFEDSA-N 1 2 340.383 1.968 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000459913065 255009477 /nfs/dbraw/zinc/00/94/77/255009477.db2.gz ZXCYWEIDCFHWMC-UHFFFAOYSA-N 1 2 335.473 1.599 20 30 EDEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1OC ZINC000488007198 255040563 /nfs/dbraw/zinc/04/05/63/255040563.db2.gz HZOVGVIKTSKLGV-HONMWMINSA-N 1 2 349.456 1.781 20 30 EDEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1OC ZINC000488007198 255040565 /nfs/dbraw/zinc/04/05/65/255040565.db2.gz HZOVGVIKTSKLGV-HONMWMINSA-N 1 2 349.456 1.781 20 30 EDEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000489489181 255068305 /nfs/dbraw/zinc/06/83/05/255068305.db2.gz YXNPWUGNYABEDD-CYBMUJFWSA-N 1 2 337.445 1.621 20 30 EDEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000489489181 255068307 /nfs/dbraw/zinc/06/83/07/255068307.db2.gz YXNPWUGNYABEDD-CYBMUJFWSA-N 1 2 337.445 1.621 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)cc1F ZINC000489690252 255071162 /nfs/dbraw/zinc/07/11/62/255071162.db2.gz LECOADAMNQZKJW-UHFFFAOYSA-N 1 2 330.344 1.824 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCO2)CC1 ZINC000491066493 255117285 /nfs/dbraw/zinc/11/72/85/255117285.db2.gz CPPVMEIHRFOLOL-CVEARBPZSA-N 1 2 331.464 1.726 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000490656992 255098279 /nfs/dbraw/zinc/09/82/79/255098279.db2.gz PXZBMEJZUOFYIM-UHFFFAOYSA-N 1 2 341.455 1.130 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000490656992 255098281 /nfs/dbraw/zinc/09/82/81/255098281.db2.gz PXZBMEJZUOFYIM-UHFFFAOYSA-N 1 2 341.455 1.130 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2cccc(F)c2)CC1 ZINC000490670338 255098564 /nfs/dbraw/zinc/09/85/64/255098564.db2.gz LTPWAEKKABVHSL-FPLPWBNLSA-N 1 2 343.402 1.123 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2cccc(F)c2)CC1 ZINC000490670338 255098567 /nfs/dbraw/zinc/09/85/67/255098567.db2.gz LTPWAEKKABVHSL-FPLPWBNLSA-N 1 2 343.402 1.123 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CSCc2ccc3c(c2)OCO3)CC1 ZINC000490739890 255104122 /nfs/dbraw/zinc/10/41/22/255104122.db2.gz LPUJBPCOTMSVJX-UHFFFAOYSA-N 1 2 332.425 1.426 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCO[C@@H](c3ccccc3C)C2)CC1 ZINC000490759298 255105124 /nfs/dbraw/zinc/10/51/24/255105124.db2.gz BREOEWFODXHRIZ-LJQANCHMSA-N 1 2 341.455 1.146 20 30 EDEDLO C#CCNC(=O)CC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000491635052 255135139 /nfs/dbraw/zinc/13/51/39/255135139.db2.gz KFKLXULXBXQXPT-LBPRGKRZSA-N 1 2 345.390 1.360 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000491642292 255137003 /nfs/dbraw/zinc/13/70/03/255137003.db2.gz AWWMPZFRKCGIRC-UHFFFAOYSA-N 1 2 348.406 1.571 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc(C(=O)OC)n(C)c2)n1 ZINC000491698576 255142525 /nfs/dbraw/zinc/14/25/25/255142525.db2.gz HWDBQFKZRJUFBA-UHFFFAOYSA-N 1 2 344.415 1.290 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc(C(=O)OC)n(C)c2)n1 ZINC000491698576 255142526 /nfs/dbraw/zinc/14/25/26/255142526.db2.gz HWDBQFKZRJUFBA-UHFFFAOYSA-N 1 2 344.415 1.290 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494032655 255232279 /nfs/dbraw/zinc/23/22/79/255232279.db2.gz JPCMVGZUQMYWMC-KGLIPLIRSA-N 1 2 334.420 1.244 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494032655 255232280 /nfs/dbraw/zinc/23/22/80/255232280.db2.gz JPCMVGZUQMYWMC-KGLIPLIRSA-N 1 2 334.420 1.244 20 30 EDEDLO CC(C)(C)OC(=O)NCC[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000495313284 255280795 /nfs/dbraw/zinc/28/07/95/255280795.db2.gz UYYLJCZUYMOMOJ-UHFFFAOYSA-N 1 2 331.420 1.600 20 30 EDEDLO C=C[C@@H]1CCCCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000494395376 255249048 /nfs/dbraw/zinc/24/90/48/255249048.db2.gz HJERUSORTORLOR-WBVHZDCISA-N 1 2 339.505 1.944 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496040931 255345339 /nfs/dbraw/zinc/34/53/39/255345339.db2.gz DYXSSMSNIGSOPI-LBPRGKRZSA-N 1 2 335.408 1.623 20 30 EDEDLO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000496353371 255385271 /nfs/dbraw/zinc/38/52/71/255385271.db2.gz ZTGLBYUTSZPZFE-OAHLLOKOSA-N 1 2 349.435 1.195 20 30 EDEDLO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000496353371 255385272 /nfs/dbraw/zinc/38/52/72/255385272.db2.gz ZTGLBYUTSZPZFE-OAHLLOKOSA-N 1 2 349.435 1.195 20 30 EDEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)c2nccnc2C#N)on1 ZINC000328630118 258029311 /nfs/dbraw/zinc/02/93/11/258029311.db2.gz JARWIVJSZRQPBY-STQMWFEESA-N 1 2 330.367 1.694 20 30 EDEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)c2nccnc2C#N)on1 ZINC000328630118 258029313 /nfs/dbraw/zinc/02/93/13/258029313.db2.gz JARWIVJSZRQPBY-STQMWFEESA-N 1 2 330.367 1.694 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000332246987 141146336 /nfs/dbraw/zinc/14/63/36/141146336.db2.gz BHFKUFAYFASZII-GOEBONIOSA-N 1 2 329.400 1.259 20 30 EDEDLO C[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[NH+]1CCOCC1 ZINC000332566251 141204787 /nfs/dbraw/zinc/20/47/87/141204787.db2.gz XGAKBHXUPRAIEZ-OAHLLOKOSA-N 1 2 325.412 1.895 20 30 EDEDLO N#Cc1cccc(CNC(=O)C(=O)NC[C@H]2CCCn3cc[nH+]c32)c1 ZINC000340155330 142285771 /nfs/dbraw/zinc/28/57/71/142285771.db2.gz UESGLTQXCDBYLL-OAHLLOKOSA-N 1 2 337.383 1.065 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000340363663 142360514 /nfs/dbraw/zinc/36/05/14/142360514.db2.gz KPGBWRFNCTXRTH-KRWDZBQOSA-N 1 2 328.416 1.217 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000340363663 142360517 /nfs/dbraw/zinc/36/05/17/142360517.db2.gz KPGBWRFNCTXRTH-KRWDZBQOSA-N 1 2 328.416 1.217 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCSC[C@H]3CCO)o2)c1 ZINC000347364732 143312975 /nfs/dbraw/zinc/31/29/75/143312975.db2.gz CIXRXTXJPOYXTM-CQSZACIVSA-N 1 2 330.413 1.908 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCSC[C@H]3CCO)o2)c1 ZINC000347364732 143312976 /nfs/dbraw/zinc/31/29/76/143312976.db2.gz CIXRXTXJPOYXTM-CQSZACIVSA-N 1 2 330.413 1.908 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000347976607 143386462 /nfs/dbraw/zinc/38/64/62/143386462.db2.gz KKXUDMFPBHDXGW-DZGCQCFKSA-N 1 2 341.333 1.562 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000347976607 143386463 /nfs/dbraw/zinc/38/64/63/143386463.db2.gz KKXUDMFPBHDXGW-DZGCQCFKSA-N 1 2 341.333 1.562 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2cccc(F)c2C#N)CCN1C ZINC000369803862 155184243 /nfs/dbraw/zinc/18/42/43/155184243.db2.gz CXEGZLXEXWRVEP-HNNXBMFYSA-N 1 2 327.363 1.560 20 30 EDEDLO Cc1[nH]nc2ncc(C[N@H+]3CCN(c4nccnc4C#N)C[C@H]3C)cc12 ZINC000354993973 150068849 /nfs/dbraw/zinc/06/88/49/150068849.db2.gz QHLNDZSCVXFSSR-GFCCVEGCSA-N 1 2 348.414 1.639 20 30 EDEDLO Cc1[nH]nc2ncc(C[N@@H+]3CCN(c4nccnc4C#N)C[C@H]3C)cc12 ZINC000354993973 150068850 /nfs/dbraw/zinc/06/88/50/150068850.db2.gz QHLNDZSCVXFSSR-GFCCVEGCSA-N 1 2 348.414 1.639 20 30 EDEDLO Cc1cccc(S(=O)(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1C#N ZINC000365017371 153399256 /nfs/dbraw/zinc/39/92/56/153399256.db2.gz JKHOQXKMLQPFEK-JKSUJKDBSA-N 1 2 349.456 1.086 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000370235095 155392860 /nfs/dbraw/zinc/39/28/60/155392860.db2.gz HHGBWLKWMRNNSP-KRWDZBQOSA-N 1 2 341.411 1.763 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1Cl ZINC000367470767 154137132 /nfs/dbraw/zinc/13/71/32/154137132.db2.gz WFXJXXBIGBNPNF-LLVKDONJSA-N 1 2 335.763 1.439 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000371974051 156191258 /nfs/dbraw/zinc/19/12/58/156191258.db2.gz RUUBTIKDTCJOFN-IAGOWNOFSA-N 1 2 329.400 1.054 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000371974051 156191261 /nfs/dbraw/zinc/19/12/61/156191261.db2.gz RUUBTIKDTCJOFN-IAGOWNOFSA-N 1 2 329.400 1.054 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCc4ccccc4[C@H]3C(N)=O)n2c1 ZINC000374308567 157235877 /nfs/dbraw/zinc/23/58/77/157235877.db2.gz KAKIMNGADUVXSZ-SFHVURJKSA-N 1 2 331.379 1.791 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374332158 157247742 /nfs/dbraw/zinc/24/77/42/157247742.db2.gz RHELIJTZOIJNBP-CQSZACIVSA-N 1 2 340.383 1.695 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159320230 225194042 /nfs/dbraw/zinc/19/40/42/225194042.db2.gz OOPHOVADMHRTRP-AWEZNQCLSA-N 1 2 328.397 1.510 20 30 EDEDLO CCC(=O)N1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000122674028 222135228 /nfs/dbraw/zinc/13/52/28/222135228.db2.gz VVIVXILYBAUNPH-CQSZACIVSA-N 1 2 328.416 1.830 20 30 EDEDLO CCC(=O)N1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000122674028 222135231 /nfs/dbraw/zinc/13/52/31/222135231.db2.gz VVIVXILYBAUNPH-CQSZACIVSA-N 1 2 328.416 1.830 20 30 EDEDLO C[C@H]1C[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C[N@@H+]1C1CC1 ZINC000124005499 222362857 /nfs/dbraw/zinc/36/28/57/222362857.db2.gz VPZCFMSWFONAGO-ONGXEEELSA-N 1 2 341.383 1.740 20 30 EDEDLO C[C@H]1C[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C[N@H+]1C1CC1 ZINC000124005499 222362861 /nfs/dbraw/zinc/36/28/61/222362861.db2.gz VPZCFMSWFONAGO-ONGXEEELSA-N 1 2 341.383 1.740 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(c2c(C#N)cccc2[N+](=O)[O-])CCN1C ZINC000425259875 269936227 /nfs/dbraw/zinc/93/62/27/269936227.db2.gz MTAYYZWHDXKQMI-AWEZNQCLSA-N 1 2 326.360 1.693 20 30 EDEDLO N#Cc1cncc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)n1 ZINC000420607374 270012142 /nfs/dbraw/zinc/01/21/42/270012142.db2.gz YZRPIEYOSOHMLJ-UHFFFAOYSA-N 1 2 345.410 1.856 20 30 EDEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC(=O)N1 ZINC000296275369 267048888 /nfs/dbraw/zinc/04/88/88/267048888.db2.gz QTRDIVNPXAPOPH-LLVKDONJSA-N 1 2 346.456 1.647 20 30 EDEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC(=O)N1 ZINC000296275369 267048893 /nfs/dbraw/zinc/04/88/93/267048893.db2.gz QTRDIVNPXAPOPH-LLVKDONJSA-N 1 2 346.456 1.647 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000349512190 267068914 /nfs/dbraw/zinc/06/89/14/267068914.db2.gz XAUKKUNJEZEZKT-RHSMWYFYSA-N 1 2 326.400 1.077 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000349512190 267068916 /nfs/dbraw/zinc/06/89/16/267068916.db2.gz XAUKKUNJEZEZKT-RHSMWYFYSA-N 1 2 326.400 1.077 20 30 EDEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3ccnc(C#N)c3)CC2)C1 ZINC000283678700 267074446 /nfs/dbraw/zinc/07/44/46/267074446.db2.gz XJJUSHOSFJQQNH-HZPDHXFCSA-N 1 2 341.459 1.580 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000394449162 267138139 /nfs/dbraw/zinc/13/81/39/267138139.db2.gz XMFLEVVCMSAVLJ-CRAIPNDOSA-N 1 2 342.443 1.682 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2n[nH]c(=O)o2)CC1 ZINC000284346595 267138250 /nfs/dbraw/zinc/13/82/50/267138250.db2.gz RNONMTSFXQCCAW-LLVKDONJSA-N 1 2 341.371 1.441 20 30 EDEDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC(=O)N1C ZINC000282403574 267228572 /nfs/dbraw/zinc/22/85/72/267228572.db2.gz XZMOYLBBWXIXAY-NSHDSACASA-N 1 2 334.807 1.703 20 30 EDEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC(=O)N1C ZINC000282403574 267228577 /nfs/dbraw/zinc/22/85/77/267228577.db2.gz XZMOYLBBWXIXAY-NSHDSACASA-N 1 2 334.807 1.703 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)COc2ccc(C#N)cc2OC)CCO1 ZINC000428080424 267230755 /nfs/dbraw/zinc/23/07/55/267230755.db2.gz SFBQCEPDKPBMRD-HNNXBMFYSA-N 1 2 347.415 1.173 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)COc2ccc(C#N)cc2OC)CCO1 ZINC000428080424 267230757 /nfs/dbraw/zinc/23/07/57/267230757.db2.gz SFBQCEPDKPBMRD-HNNXBMFYSA-N 1 2 347.415 1.173 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000456196931 267291861 /nfs/dbraw/zinc/29/18/61/267291861.db2.gz DMJNSASGIINQIW-CALCHBBNSA-N 1 2 328.416 1.217 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000456196931 267291866 /nfs/dbraw/zinc/29/18/66/267291866.db2.gz DMJNSASGIINQIW-CALCHBBNSA-N 1 2 328.416 1.217 20 30 EDEDLO Cc1cc(N2CCC(C(=O)N3CCOCC3)CC2)c(C#N)c(C)[nH+]1 ZINC000301694039 267334031 /nfs/dbraw/zinc/33/40/31/267334031.db2.gz XZHPUDIXWXNNSI-UHFFFAOYSA-N 1 2 328.416 1.645 20 30 EDEDLO COC(=O)[C@]1(C)CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000412105056 267393017 /nfs/dbraw/zinc/39/30/17/267393017.db2.gz OMSWKSYLZNWRPD-QGZVFWFLSA-N 1 2 333.388 1.982 20 30 EDEDLO COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000412105056 267393019 /nfs/dbraw/zinc/39/30/19/267393019.db2.gz OMSWKSYLZNWRPD-QGZVFWFLSA-N 1 2 333.388 1.982 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c1C#N ZINC000530465850 268091318 /nfs/dbraw/zinc/09/13/18/268091318.db2.gz WASXWZDTOHJTQV-AWEZNQCLSA-N 1 2 344.463 1.170 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(C(F)F)n1 ZINC000519680113 268127375 /nfs/dbraw/zinc/12/73/75/268127375.db2.gz ULVKVYRTJZHFAX-UHFFFAOYSA-N 1 2 332.358 1.947 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[C@@H](O)C3)CC2)cc1 ZINC000439250130 268220824 /nfs/dbraw/zinc/22/08/24/268220824.db2.gz LUFAFIXCUCPWHR-ZWKOTPCHSA-N 1 2 327.428 1.754 20 30 EDEDLO N#Cc1ccc2c(c1)N(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)CC2 ZINC000277621223 268221706 /nfs/dbraw/zinc/22/17/06/268221706.db2.gz BMZDNTDUVKWSSO-GOSISDBHSA-N 1 2 325.412 1.948 20 30 EDEDLO N#Cc1ccc2c(c1)N(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)CC2 ZINC000277621223 268221707 /nfs/dbraw/zinc/22/17/07/268221707.db2.gz BMZDNTDUVKWSSO-GOSISDBHSA-N 1 2 325.412 1.948 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496783557 268306444 /nfs/dbraw/zinc/30/64/44/268306444.db2.gz GANMSSDIFXSGAI-NSHDSACASA-N 1 2 334.401 1.332 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496783557 268306446 /nfs/dbraw/zinc/30/64/46/268306446.db2.gz GANMSSDIFXSGAI-NSHDSACASA-N 1 2 334.401 1.332 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2cc(C#N)cs2)C1 ZINC000275529704 268355526 /nfs/dbraw/zinc/35/55/26/268355526.db2.gz CRRIHGRZLBTTKU-LBPRGKRZSA-N 1 2 342.428 1.338 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2cc(C#N)cs2)C1 ZINC000275529704 268355527 /nfs/dbraw/zinc/35/55/27/268355527.db2.gz CRRIHGRZLBTTKU-LBPRGKRZSA-N 1 2 342.428 1.338 20 30 EDEDLO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000275882416 268380928 /nfs/dbraw/zinc/38/09/28/268380928.db2.gz LZYVAUMTCSOMNC-LBPRGKRZSA-N 1 2 343.399 1.988 20 30 EDEDLO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000275882416 268380930 /nfs/dbraw/zinc/38/09/30/268380930.db2.gz LZYVAUMTCSOMNC-LBPRGKRZSA-N 1 2 343.399 1.988 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC000491665559 275383434 /nfs/dbraw/zinc/38/34/34/275383434.db2.gz SGEGPCFPJDNBAH-DLBZAZTESA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC000491665559 275383435 /nfs/dbraw/zinc/38/34/35/275383435.db2.gz SGEGPCFPJDNBAH-DLBZAZTESA-N 1 2 333.476 1.487 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(c3nc4c(cc3C#N)CCC4)CC2)C(=O)C1 ZINC000374804316 277103671 /nfs/dbraw/zinc/10/36/71/277103671.db2.gz ZERIENLYBOQEHM-UHFFFAOYSA-N 1 2 339.443 1.185 20 30 EDEDLO C[N@H+]1CCN(C2CCN(c3nc4c(cc3C#N)CCC4)CC2)C(=O)C1 ZINC000374804316 277103673 /nfs/dbraw/zinc/10/36/73/277103673.db2.gz ZERIENLYBOQEHM-UHFFFAOYSA-N 1 2 339.443 1.185 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000359937543 278240911 /nfs/dbraw/zinc/24/09/11/278240911.db2.gz IWMMOAICSMHYGQ-YOEHRIQHSA-N 1 2 328.416 1.735 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)no1 ZINC000358217279 293259749 /nfs/dbraw/zinc/25/97/49/293259749.db2.gz YIMIXYQKDSYKKA-AWEZNQCLSA-N 1 2 342.403 1.705 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)no1 ZINC000358217279 293259752 /nfs/dbraw/zinc/25/97/52/293259752.db2.gz YIMIXYQKDSYKKA-AWEZNQCLSA-N 1 2 342.403 1.705 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000646322490 453316764 /nfs/dbraw/zinc/31/67/64/453316764.db2.gz QBKKBLWNIASCDL-CVEARBPZSA-N 1 2 342.505 1.634 20 30 EDEDLO COc1ccccc1CN1C(=O)C[C@@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000448557040 447330755 /nfs/dbraw/zinc/33/07/55/447330755.db2.gz RNWVSIGLFDDFSZ-OAHLLOKOSA-N 1 2 327.384 1.558 20 30 EDEDLO N#Cc1cnccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000546653529 306094802 /nfs/dbraw/zinc/09/48/02/306094802.db2.gz RKNTVJHQBJTZOL-UHFFFAOYSA-N 1 2 338.411 1.698 20 30 EDEDLO N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000548623229 306132785 /nfs/dbraw/zinc/13/27/85/306132785.db2.gz FVQCOKHYQYKULM-ZDUSSCGKSA-N 1 2 334.376 1.328 20 30 EDEDLO N#Cc1csc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000549448136 306146049 /nfs/dbraw/zinc/14/60/49/306146049.db2.gz JZAWYINPUJTDIP-UHFFFAOYSA-N 1 2 325.459 1.620 20 30 EDEDLO N#Cc1csc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000549448136 306146050 /nfs/dbraw/zinc/14/60/50/306146050.db2.gz JZAWYINPUJTDIP-UHFFFAOYSA-N 1 2 325.459 1.620 20 30 EDEDLO N#CCOc1ccc(/C=C\C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000493722006 447377245 /nfs/dbraw/zinc/37/72/45/447377245.db2.gz LIXDHYDSGHHBHB-MGDGFJSESA-N 1 2 341.411 1.582 20 30 EDEDLO N#CCOc1ccc(/C=C\C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000493722006 447377251 /nfs/dbraw/zinc/37/72/51/447377251.db2.gz LIXDHYDSGHHBHB-MGDGFJSESA-N 1 2 341.411 1.582 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC000426151565 447395944 /nfs/dbraw/zinc/39/59/44/447395944.db2.gz DBKCGUWXOJFIQO-GOSISDBHSA-N 1 2 346.471 1.955 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC000426151565 447395949 /nfs/dbraw/zinc/39/59/49/447395949.db2.gz DBKCGUWXOJFIQO-GOSISDBHSA-N 1 2 346.471 1.955 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1[nH+]cnc2c1cnn2C ZINC000011681745 441122816 /nfs/dbraw/zinc/12/28/16/441122816.db2.gz CITZQKHXWDVMEN-BONVTDFDSA-N 1 2 332.433 1.898 20 30 EDEDLO C[N@H+](C[C@H]1COc2ccccc2O1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000072556108 441237445 /nfs/dbraw/zinc/23/74/45/441237445.db2.gz CIQAGPFGBAYAHW-YJBOKZPZSA-N 1 2 337.379 1.856 20 30 EDEDLO C[N@@H+](C[C@H]1COc2ccccc2O1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000072556108 441237449 /nfs/dbraw/zinc/23/74/49/441237449.db2.gz CIQAGPFGBAYAHW-YJBOKZPZSA-N 1 2 337.379 1.856 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000047592215 441206159 /nfs/dbraw/zinc/20/61/59/441206159.db2.gz FMKTVHXXUWIAIX-RDTXWAMCSA-N 1 2 330.432 2.000 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000047592215 441206160 /nfs/dbraw/zinc/20/61/60/441206160.db2.gz FMKTVHXXUWIAIX-RDTXWAMCSA-N 1 2 330.432 2.000 20 30 EDEDLO N#Cc1ccc(NCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000080914321 441206546 /nfs/dbraw/zinc/20/65/46/441206546.db2.gz OMOYJJVQRULVJL-KRWDZBQOSA-N 1 2 328.416 1.293 20 30 EDEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+]1CCOCC1 ZINC000063398968 441327733 /nfs/dbraw/zinc/32/77/33/441327733.db2.gz FHYPMPRIOAXQEQ-UHFFFAOYSA-N 1 2 348.403 1.625 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC(=O)N(C)C)c1 ZINC000073643588 441338169 /nfs/dbraw/zinc/33/81/69/441338169.db2.gz HPJBXKMGFXKDMP-MRXNPFEDSA-N 1 2 344.459 1.959 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC(=O)N(C)C)c1 ZINC000073643588 441338172 /nfs/dbraw/zinc/33/81/72/441338172.db2.gz HPJBXKMGFXKDMP-MRXNPFEDSA-N 1 2 344.459 1.959 20 30 EDEDLO CCCNC(=O)NC(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754492 441350339 /nfs/dbraw/zinc/35/03/39/441350339.db2.gz RNUZUKOLUJHYGG-UHFFFAOYSA-N 1 2 332.404 1.242 20 30 EDEDLO CCCNC(=O)NC(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754492 441350342 /nfs/dbraw/zinc/35/03/42/441350342.db2.gz RNUZUKOLUJHYGG-UHFFFAOYSA-N 1 2 332.404 1.242 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000064248365 441367994 /nfs/dbraw/zinc/36/79/94/441367994.db2.gz LRJOKULGKYOZTN-HNNXBMFYSA-N 1 2 345.447 1.196 20 30 EDEDLO CCN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H](C)C#N ZINC000049982496 441368252 /nfs/dbraw/zinc/36/82/52/441368252.db2.gz IREPVNDUMCRQMP-INIZCTEOSA-N 1 2 344.459 1.939 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C)ccc2NC(C)=O)CC1 ZINC000085276048 441431792 /nfs/dbraw/zinc/43/17/92/441431792.db2.gz CFBLIMVNBDVIQJ-UHFFFAOYSA-N 1 2 328.416 1.143 20 30 EDEDLO N#CCc1cccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000052845302 441479726 /nfs/dbraw/zinc/47/97/26/441479726.db2.gz UVYLYVYKUGCYRO-GOSISDBHSA-N 1 2 345.468 1.690 20 30 EDEDLO COc1ccc([C@H](NC(=O)CSCC#N)c2[nH+]ccn2C)cc1 ZINC000031575897 441529693 /nfs/dbraw/zinc/52/96/93/441529693.db2.gz ZOORTNPDJVCFSD-HNNXBMFYSA-N 1 2 330.413 1.891 20 30 EDEDLO CC[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@H](C)C#N ZINC000066424404 441530962 /nfs/dbraw/zinc/53/09/62/441530962.db2.gz JIDFUGGLHXUIOV-CQSZACIVSA-N 1 2 332.404 1.046 20 30 EDEDLO CC[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@H](C)C#N ZINC000066424404 441530964 /nfs/dbraw/zinc/53/09/64/441530964.db2.gz JIDFUGGLHXUIOV-CQSZACIVSA-N 1 2 332.404 1.046 20 30 EDEDLO CC[N@@H+](CC(=O)NCc1ccc(NC(=O)OC)cc1)C[C@@H](C)C#N ZINC000066424724 441531233 /nfs/dbraw/zinc/53/12/33/441531233.db2.gz FKIDUWFWAVHYDQ-ZDUSSCGKSA-N 1 2 332.404 1.963 20 30 EDEDLO CC[N@H+](CC(=O)NCc1ccc(NC(=O)OC)cc1)C[C@@H](C)C#N ZINC000066424724 441531235 /nfs/dbraw/zinc/53/12/35/441531235.db2.gz FKIDUWFWAVHYDQ-ZDUSSCGKSA-N 1 2 332.404 1.963 20 30 EDEDLO COc1ccc(CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)C#N)cc1OC ZINC000066469236 441534077 /nfs/dbraw/zinc/53/40/77/441534077.db2.gz BPKPZHSFYPMCFY-KGLIPLIRSA-N 1 2 333.432 1.842 20 30 EDEDLO COc1ccc(CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C#N)cc1OC ZINC000066469236 441534080 /nfs/dbraw/zinc/53/40/80/441534080.db2.gz BPKPZHSFYPMCFY-KGLIPLIRSA-N 1 2 333.432 1.842 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000066867927 441577300 /nfs/dbraw/zinc/57/73/00/441577300.db2.gz KYXZLLIIJSVHFN-CQSZACIVSA-N 1 2 333.407 1.203 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000054992560 441610692 /nfs/dbraw/zinc/61/06/92/441610692.db2.gz AEEJQBGYDICIGW-QGZVFWFLSA-N 1 2 342.443 1.761 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000054992560 441610697 /nfs/dbraw/zinc/61/06/97/441610697.db2.gz AEEJQBGYDICIGW-QGZVFWFLSA-N 1 2 342.443 1.761 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC3(CCCC3)C2)CC1 ZINC000092619120 441815463 /nfs/dbraw/zinc/81/54/63/441815463.db2.gz YJYCUVZWWZZKNF-QGZVFWFLSA-N 1 2 348.491 1.324 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCOC3(CCCC3)C2)CC1 ZINC000092619120 441815468 /nfs/dbraw/zinc/81/54/68/441815468.db2.gz YJYCUVZWWZZKNF-QGZVFWFLSA-N 1 2 348.491 1.324 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158949143 441775376 /nfs/dbraw/zinc/77/53/76/441775376.db2.gz HDRDFIOUZIXWQI-GOSISDBHSA-N 1 2 329.400 1.172 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158949143 441775390 /nfs/dbraw/zinc/77/53/90/441775390.db2.gz HDRDFIOUZIXWQI-GOSISDBHSA-N 1 2 329.400 1.172 20 30 EDEDLO C=CCNC(=O)CN1CCN(Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000122257573 441842240 /nfs/dbraw/zinc/84/22/40/441842240.db2.gz VJPXVRNGHDMDGI-UHFFFAOYSA-N 1 2 327.432 1.063 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OCCOC)cc2)CC1 ZINC000122246927 441842869 /nfs/dbraw/zinc/84/28/69/441842869.db2.gz QKJYRZMVJGFQLM-UHFFFAOYSA-N 1 2 347.459 1.132 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cc(C#N)c[nH]3)c[nH+]2)C[C@@H](C)O1 ZINC000175327169 442042371 /nfs/dbraw/zinc/04/23/71/442042371.db2.gz QXGKIDQKROFGSU-CHWSQXEVSA-N 1 2 339.399 1.825 20 30 EDEDLO Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc[nH+]1 ZINC000127162019 442177148 /nfs/dbraw/zinc/17/71/48/442177148.db2.gz MXPTYPZYDJUGED-GFCCVEGCSA-N 1 2 344.396 1.567 20 30 EDEDLO COc1ccc(CNc2cnn(CC[NH+]3CCOCC3)c2)cc1C#N ZINC000127270753 442188277 /nfs/dbraw/zinc/18/82/77/442188277.db2.gz VOKRQGFDZRCUHL-UHFFFAOYSA-N 1 2 341.415 1.708 20 30 EDEDLO Cc1cc[nH+]c(N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1 ZINC000166118712 442214427 /nfs/dbraw/zinc/21/44/27/442214427.db2.gz MZRKSFNVDPMZOO-GOSISDBHSA-N 1 2 327.432 1.321 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166306013 442215540 /nfs/dbraw/zinc/21/55/40/442215540.db2.gz PIASANSRABPHFT-INIZCTEOSA-N 1 2 329.448 1.520 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCN(c4cccnn4)CC3)C2=O)cc1 ZINC000170649635 442241845 /nfs/dbraw/zinc/24/18/45/442241845.db2.gz KJFRSYRPHDWOQA-KRWDZBQOSA-N 1 2 348.410 1.276 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C2)CC1 ZINC000170949151 442293286 /nfs/dbraw/zinc/29/32/86/442293286.db2.gz XUBWYKFOLVETDN-GOSISDBHSA-N 1 2 326.444 1.339 20 30 EDEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000133871300 442437534 /nfs/dbraw/zinc/43/75/34/442437534.db2.gz FSYQCDJAAOMZIL-HOCLYGCPSA-N 1 2 334.416 1.764 20 30 EDEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000133871300 442437536 /nfs/dbraw/zinc/43/75/36/442437536.db2.gz FSYQCDJAAOMZIL-HOCLYGCPSA-N 1 2 334.416 1.764 20 30 EDEDLO N#CCNC(=O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134470963 442485983 /nfs/dbraw/zinc/48/59/83/442485983.db2.gz IQTCKSDDCCSWGC-SECBINFHSA-N 1 2 332.351 1.981 20 30 EDEDLO N#CCNC(=O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134470963 442485985 /nfs/dbraw/zinc/48/59/85/442485985.db2.gz IQTCKSDDCCSWGC-SECBINFHSA-N 1 2 332.351 1.981 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000178773124 442480574 /nfs/dbraw/zinc/48/05/74/442480574.db2.gz BHJNXEXIYCVXPW-OAHLLOKOSA-N 1 2 332.423 1.704 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178773124 442480579 /nfs/dbraw/zinc/48/05/79/442480579.db2.gz BHJNXEXIYCVXPW-OAHLLOKOSA-N 1 2 332.423 1.704 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000180079592 442537522 /nfs/dbraw/zinc/53/75/22/442537522.db2.gz VWXNFQLSHMRLNB-KGLIPLIRSA-N 1 2 332.404 1.820 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000156712182 442512344 /nfs/dbraw/zinc/51/23/44/442512344.db2.gz FAUYPIJEEICMEP-CQSZACIVSA-N 1 2 349.456 1.309 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000156712182 442512345 /nfs/dbraw/zinc/51/23/45/442512345.db2.gz FAUYPIJEEICMEP-CQSZACIVSA-N 1 2 349.456 1.309 20 30 EDEDLO CC(C)(C#N)CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000157585304 442594909 /nfs/dbraw/zinc/59/49/09/442594909.db2.gz NGLIXNSPYYKWEY-UHFFFAOYSA-N 1 2 346.456 1.804 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000136103278 442649773 /nfs/dbraw/zinc/64/97/73/442649773.db2.gz DLVPOKWPDABNMK-UHFFFAOYSA-N 1 2 329.448 1.416 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000192228440 442617976 /nfs/dbraw/zinc/61/79/76/442617976.db2.gz ZUHJCAOQIGTVGF-UHFFFAOYSA-N 1 2 328.153 1.795 20 30 EDEDLO C#CC[N@H+](C)CC(=O)Nc1cccc(I)c1 ZINC000192228440 442617979 /nfs/dbraw/zinc/61/79/79/442617979.db2.gz ZUHJCAOQIGTVGF-UHFFFAOYSA-N 1 2 328.153 1.795 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCOC4(CCOCC4)C3)C2=O)cc1 ZINC000135610249 442618058 /nfs/dbraw/zinc/61/80/58/442618058.db2.gz BMYYBCFOAFQNJX-QGZVFWFLSA-N 1 2 341.411 1.545 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCOC4(CCOCC4)C3)C2=O)cc1 ZINC000135610249 442618060 /nfs/dbraw/zinc/61/80/60/442618060.db2.gz BMYYBCFOAFQNJX-QGZVFWFLSA-N 1 2 341.411 1.545 20 30 EDEDLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1ccc(C#N)cc1F ZINC000180600820 442632132 /nfs/dbraw/zinc/63/21/32/442632132.db2.gz GULHRSDDPQHKOB-MRXNPFEDSA-N 1 2 348.422 1.680 20 30 EDEDLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ccc(C#N)cc1F ZINC000180600820 442632133 /nfs/dbraw/zinc/63/21/33/442632133.db2.gz GULHRSDDPQHKOB-MRXNPFEDSA-N 1 2 348.422 1.680 20 30 EDEDLO COc1ccc([C@H](NC(=O)NC[C@H](C)C#N)c2[nH+]ccn2C)cc1 ZINC000182383420 442762295 /nfs/dbraw/zinc/76/22/95/442762295.db2.gz LSTLSDCHIBSHKG-DOMZBBRYSA-N 1 2 327.388 1.977 20 30 EDEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[NH+](CC(N)=O)CC1 ZINC000193714627 442771852 /nfs/dbraw/zinc/77/18/52/442771852.db2.gz KOHCOQVDPUXTRF-UHFFFAOYSA-N 1 2 347.781 1.506 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCNC(=O)[C@H]2CC)c(OC)c1 ZINC000247251621 442844732 /nfs/dbraw/zinc/84/47/32/442844732.db2.gz ZXZFUJUTAQHGNY-HZPDHXFCSA-N 1 2 348.443 1.374 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCNC(=O)[C@H]2CC)c(OC)c1 ZINC000247251621 442844734 /nfs/dbraw/zinc/84/47/34/442844734.db2.gz ZXZFUJUTAQHGNY-HZPDHXFCSA-N 1 2 348.443 1.374 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000265731002 442898335 /nfs/dbraw/zinc/89/83/35/442898335.db2.gz BGZGJTJQFXWIEX-GFCCVEGCSA-N 1 2 341.415 1.857 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)ncn2)CC1 ZINC000184068403 442987495 /nfs/dbraw/zinc/98/74/95/442987495.db2.gz AFLCDVHVCVZEPE-OAHLLOKOSA-N 1 2 345.447 1.196 20 30 EDEDLO CCCCCCCS(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000195306832 443007245 /nfs/dbraw/zinc/00/72/45/443007245.db2.gz BRSPROOJOBTPRI-MRXNPFEDSA-N 1 2 332.510 1.941 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000625504860 450398690 /nfs/dbraw/zinc/39/86/90/450398690.db2.gz ZSAJXQFIPJBIFN-HNNXBMFYSA-N 1 2 337.464 1.028 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000269076919 443190795 /nfs/dbraw/zinc/19/07/95/443190795.db2.gz GVECVBFAXKUBEA-UHFFFAOYSA-N 1 2 332.791 1.457 20 30 EDEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000190834646 443191105 /nfs/dbraw/zinc/19/11/05/443191105.db2.gz QGJDYDKUURCMKW-OAHLLOKOSA-N 1 2 341.433 1.024 20 30 EDEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000190834646 443191110 /nfs/dbraw/zinc/19/11/10/443191110.db2.gz QGJDYDKUURCMKW-OAHLLOKOSA-N 1 2 341.433 1.024 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](C)c2ccco2)CC1 ZINC000245555117 443236086 /nfs/dbraw/zinc/23/60/86/443236086.db2.gz IAFMUCVNZWGHND-CVEARBPZSA-N 1 2 332.448 1.965 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H](C)c2ccco2)CC1 ZINC000245555117 443236091 /nfs/dbraw/zinc/23/60/91/443236091.db2.gz IAFMUCVNZWGHND-CVEARBPZSA-N 1 2 332.448 1.965 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191097662 443240992 /nfs/dbraw/zinc/24/09/92/443240992.db2.gz FMPSCIFGYWUHQK-OAHLLOKOSA-N 1 2 328.416 1.486 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191097662 443240996 /nfs/dbraw/zinc/24/09/96/443240996.db2.gz FMPSCIFGYWUHQK-OAHLLOKOSA-N 1 2 328.416 1.486 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185463273 443203474 /nfs/dbraw/zinc/20/34/74/443203474.db2.gz MQGKLRRQZAGGNN-RDTXWAMCSA-N 1 2 340.431 1.972 20 30 EDEDLO C=CCOc1cccc(NC(=O)NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000270581901 443476630 /nfs/dbraw/zinc/47/66/30/443476630.db2.gz SFVJCNLHGSDQRG-HNNXBMFYSA-N 1 2 335.404 1.066 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267415885 443449893 /nfs/dbraw/zinc/44/98/93/443449893.db2.gz SQKPJPRLUGBVMZ-OAHLLOKOSA-N 1 2 327.432 1.476 20 30 EDEDLO C=CCCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000279082526 443510465 /nfs/dbraw/zinc/51/04/65/443510465.db2.gz FDRPHDPDFUXZGI-UHFFFAOYSA-N 1 2 329.408 1.161 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+](CC(=O)OC)C2CC2)c(OC)c1 ZINC000267697268 443544908 /nfs/dbraw/zinc/54/49/08/443544908.db2.gz SWVDNXXWQKRPHS-MRXNPFEDSA-N 1 2 349.427 1.801 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+](CC(=O)OC)C2CC2)c(OC)c1 ZINC000267697268 443544909 /nfs/dbraw/zinc/54/49/09/443544909.db2.gz SWVDNXXWQKRPHS-MRXNPFEDSA-N 1 2 349.427 1.801 20 30 EDEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)O[NH+]=C(N)CCO ZINC000275435282 443628042 /nfs/dbraw/zinc/62/80/42/443628042.db2.gz GOKPIWDHTUUMMJ-VIFPVBQESA-N 1 2 329.784 1.655 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1)OCC ZINC000275534892 443630680 /nfs/dbraw/zinc/63/06/80/443630680.db2.gz CJSRESIGJLGWNP-JKSUJKDBSA-N 1 2 332.448 1.881 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1)OCC ZINC000275534892 443630685 /nfs/dbraw/zinc/63/06/85/443630685.db2.gz CJSRESIGJLGWNP-JKSUJKDBSA-N 1 2 332.448 1.881 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000279510990 443596106 /nfs/dbraw/zinc/59/61/06/443596106.db2.gz HJOKDXFTIFEOTC-HOCLYGCPSA-N 1 2 344.394 1.304 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000279510990 443596112 /nfs/dbraw/zinc/59/61/12/443596112.db2.gz HJOKDXFTIFEOTC-HOCLYGCPSA-N 1 2 344.394 1.304 20 30 EDEDLO C#CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)C1CC1 ZINC000274251156 443600593 /nfs/dbraw/zinc/60/05/93/443600593.db2.gz ZSQHBIOPDAXDPA-UHFFFAOYSA-N 1 2 333.819 1.835 20 30 EDEDLO C#CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)C1CC1 ZINC000274251156 443600597 /nfs/dbraw/zinc/60/05/97/443600597.db2.gz ZSQHBIOPDAXDPA-UHFFFAOYSA-N 1 2 333.819 1.835 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000279670930 443618868 /nfs/dbraw/zinc/61/88/68/443618868.db2.gz FHKBRTMULYCUEL-UHFFFAOYSA-N 1 2 336.395 1.634 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000279670930 443618872 /nfs/dbraw/zinc/61/88/72/443618872.db2.gz FHKBRTMULYCUEL-UHFFFAOYSA-N 1 2 336.395 1.634 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000280057317 443662997 /nfs/dbraw/zinc/66/29/97/443662997.db2.gz ARBAUIWJONVJMG-BFYDXBDKSA-N 1 2 330.432 1.491 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000280057317 443662998 /nfs/dbraw/zinc/66/29/98/443662998.db2.gz ARBAUIWJONVJMG-BFYDXBDKSA-N 1 2 330.432 1.491 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(F)c(C#N)c1 ZINC000286083456 443642651 /nfs/dbraw/zinc/64/26/51/443642651.db2.gz KFFIVYRVVOXJNX-CZUORRHYSA-N 1 2 341.346 1.181 20 30 EDEDLO CN1CCO[C@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000284693571 443784251 /nfs/dbraw/zinc/78/42/51/443784251.db2.gz IBYQNQQXGNTUTC-CVEARBPZSA-N 1 2 348.834 1.555 20 30 EDEDLO CN1CCO[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000284693571 443784254 /nfs/dbraw/zinc/78/42/54/443784254.db2.gz IBYQNQQXGNTUTC-CVEARBPZSA-N 1 2 348.834 1.555 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000284693571 443784257 /nfs/dbraw/zinc/78/42/57/443784257.db2.gz IBYQNQQXGNTUTC-CVEARBPZSA-N 1 2 348.834 1.555 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000284693571 443784259 /nfs/dbraw/zinc/78/42/59/443784259.db2.gz IBYQNQQXGNTUTC-CVEARBPZSA-N 1 2 348.834 1.555 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000292257109 443787431 /nfs/dbraw/zinc/78/74/31/443787431.db2.gz YGGUNFOLTJYUDO-CHWSQXEVSA-N 1 2 349.397 1.942 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000292257109 443787436 /nfs/dbraw/zinc/78/74/36/443787436.db2.gz YGGUNFOLTJYUDO-CHWSQXEVSA-N 1 2 349.397 1.942 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@](O)(c3cn[nH]n3)C2)c1C ZINC000284789571 443788912 /nfs/dbraw/zinc/78/89/12/443788912.db2.gz LJPXZATUNJHPPG-KRWDZBQOSA-N 1 2 329.404 1.185 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@](O)(c3cn[nH]n3)C2)c1C ZINC000284789571 443788916 /nfs/dbraw/zinc/78/89/16/443788916.db2.gz LJPXZATUNJHPPG-KRWDZBQOSA-N 1 2 329.404 1.185 20 30 EDEDLO C#CCOc1ccc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000276586094 443756001 /nfs/dbraw/zinc/75/60/01/443756001.db2.gz HXGRLONZZKUKRQ-QGZVFWFLSA-N 1 2 338.411 1.561 20 30 EDEDLO C=CC[N@@H+](Cc1ccc(O)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000283944059 443758997 /nfs/dbraw/zinc/75/89/97/443758997.db2.gz HUXOMXGJHPDQPF-CQSZACIVSA-N 1 2 325.430 1.966 20 30 EDEDLO C=CC[N@H+](Cc1ccc(O)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000283944059 443759000 /nfs/dbraw/zinc/75/90/00/443759000.db2.gz HUXOMXGJHPDQPF-CQSZACIVSA-N 1 2 325.430 1.966 20 30 EDEDLO Cc1oc(NC(=O)CN2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C#N)c1C ZINC000284965801 443801246 /nfs/dbraw/zinc/80/12/46/443801246.db2.gz XLZNUWCGYCAYLY-GJZGRUSLSA-N 1 2 332.404 1.112 20 30 EDEDLO Cc1oc(NC(=O)CN2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c(C#N)c1C ZINC000284965801 443801250 /nfs/dbraw/zinc/80/12/50/443801250.db2.gz XLZNUWCGYCAYLY-GJZGRUSLSA-N 1 2 332.404 1.112 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2ccccc2C#N)C1 ZINC000277015899 443889808 /nfs/dbraw/zinc/88/98/08/443889808.db2.gz YYFYPVJILPPBBK-MRXNPFEDSA-N 1 2 349.456 1.290 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2ccccc2C#N)C1 ZINC000277015899 443889811 /nfs/dbraw/zinc/88/98/11/443889811.db2.gz YYFYPVJILPPBBK-MRXNPFEDSA-N 1 2 349.456 1.290 20 30 EDEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccco1 ZINC000292994756 443898651 /nfs/dbraw/zinc/89/86/51/443898651.db2.gz MVAZGBBXZAICHS-AWEZNQCLSA-N 1 2 337.376 1.872 20 30 EDEDLO C=CC[C@H](CC)NC(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000281472701 443921935 /nfs/dbraw/zinc/92/19/35/443921935.db2.gz UUPKWVIMYIGRGF-KBPBESRZSA-N 1 2 332.452 1.629 20 30 EDEDLO C=CC[C@H](CC)NC(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000281472701 443921940 /nfs/dbraw/zinc/92/19/40/443921940.db2.gz UUPKWVIMYIGRGF-KBPBESRZSA-N 1 2 332.452 1.629 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1C ZINC000293265708 443967577 /nfs/dbraw/zinc/96/75/77/443967577.db2.gz HDODLWGDBWQJMA-GFCCVEGCSA-N 1 2 341.408 1.039 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1C ZINC000293265708 443967581 /nfs/dbraw/zinc/96/75/81/443967581.db2.gz HDODLWGDBWQJMA-GFCCVEGCSA-N 1 2 341.408 1.039 20 30 EDEDLO CC[N@H+](CCCNS(=O)(=O)N(C)C[C@@H](C)C#N)c1ccccc1 ZINC000281750653 443996782 /nfs/dbraw/zinc/99/67/82/443996782.db2.gz AHSAGOBKHCKSGG-HNNXBMFYSA-N 1 2 338.477 1.829 20 30 EDEDLO CC[N@@H+](CCCNS(=O)(=O)N(C)C[C@@H](C)C#N)c1ccccc1 ZINC000281750653 443996785 /nfs/dbraw/zinc/99/67/85/443996785.db2.gz AHSAGOBKHCKSGG-HNNXBMFYSA-N 1 2 338.477 1.829 20 30 EDEDLO Cn1nccc1C1=CC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000285539829 444021803 /nfs/dbraw/zinc/02/18/03/444021803.db2.gz HZFBZJSTBFGQMD-UHFFFAOYSA-N 1 2 327.432 1.852 20 30 EDEDLO Cn1nccc1C1=CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000285539829 444021806 /nfs/dbraw/zinc/02/18/06/444021806.db2.gz HZFBZJSTBFGQMD-UHFFFAOYSA-N 1 2 327.432 1.852 20 30 EDEDLO CO[C@@H](C)C[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000285689051 444074020 /nfs/dbraw/zinc/07/40/20/444074020.db2.gz NQPHBNKRMLPYEW-WCQYABFASA-N 1 2 328.372 1.478 20 30 EDEDLO CO[C@@H](C)C[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000285689051 444074023 /nfs/dbraw/zinc/07/40/23/444074023.db2.gz NQPHBNKRMLPYEW-WCQYABFASA-N 1 2 328.372 1.478 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3cccc(OCC)n3)CC2)C1=O ZINC000282065736 444077156 /nfs/dbraw/zinc/07/71/56/444077156.db2.gz SKJNJJWNHBYEHF-OAHLLOKOSA-N 1 2 330.432 1.389 20 30 EDEDLO N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000557746411 321006419 /nfs/dbraw/zinc/00/64/19/321006419.db2.gz GEDZXGOKDSVZMP-CQSZACIVSA-N 1 2 336.399 1.061 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)C[C@@H]21 ZINC000560445827 321028151 /nfs/dbraw/zinc/02/81/51/321028151.db2.gz JLBHEYKQYVLVNH-KBPBESRZSA-N 1 2 335.795 1.543 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)C[C@@H]21 ZINC000560445827 321028153 /nfs/dbraw/zinc/02/81/53/321028153.db2.gz JLBHEYKQYVLVNH-KBPBESRZSA-N 1 2 335.795 1.543 20 30 EDEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000566287183 321225561 /nfs/dbraw/zinc/22/55/61/321225561.db2.gz ZZCZHOKGGLRDGD-KRWDZBQOSA-N 1 2 338.411 1.992 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000570883817 321361502 /nfs/dbraw/zinc/36/15/02/321361502.db2.gz SZFNFUSVMBSKAB-UHFFFAOYSA-N 1 2 335.411 1.738 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1nccc(C#N)n1 ZINC000294937317 444161117 /nfs/dbraw/zinc/16/11/17/444161117.db2.gz JKBZEKQPLBEODI-WFASDCNBSA-N 1 2 329.383 1.131 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1nccc(C#N)n1 ZINC000294937317 444161121 /nfs/dbraw/zinc/16/11/21/444161121.db2.gz JKBZEKQPLBEODI-WFASDCNBSA-N 1 2 329.383 1.131 20 30 EDEDLO CC(C)(C)n1ncc2c1nc[nH+]c2NCCCc1[nH]nc(N)c1C#N ZINC000301836512 444193046 /nfs/dbraw/zinc/19/30/46/444193046.db2.gz LWVNAZVMISRXDT-UHFFFAOYSA-N 1 2 339.407 1.803 20 30 EDEDLO N#Cc1ncccc1OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000576326083 321556399 /nfs/dbraw/zinc/55/63/99/321556399.db2.gz GONZFOFOAGXHNP-UHFFFAOYSA-N 1 2 342.424 1.738 20 30 EDEDLO N#CC[N@@H+](C[C@H](O)Cn1c(=O)onc1-c1ccccc1)C1CCCC1 ZINC000304350388 444247576 /nfs/dbraw/zinc/24/75/76/444247576.db2.gz YUNRHPOUEJJKKW-INIZCTEOSA-N 1 2 342.399 1.632 20 30 EDEDLO N#CC[N@H+](C[C@H](O)Cn1c(=O)onc1-c1ccccc1)C1CCCC1 ZINC000304350388 444247577 /nfs/dbraw/zinc/24/75/77/444247577.db2.gz YUNRHPOUEJJKKW-INIZCTEOSA-N 1 2 342.399 1.632 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305134234 444259928 /nfs/dbraw/zinc/25/99/28/444259928.db2.gz KQSKCIAOGGNDBK-SMDDNHRTSA-N 1 2 335.370 1.630 20 30 EDEDLO C#Cc1ccc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000296539555 444237135 /nfs/dbraw/zinc/23/71/35/444237135.db2.gz AYSPRIXXUAVWAF-CRAIPNDOSA-N 1 2 327.428 1.673 20 30 EDEDLO C=CCN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000290694120 444311817 /nfs/dbraw/zinc/31/18/17/444311817.db2.gz MWQKMBUVFSKDGM-ZDUSSCGKSA-N 1 2 334.401 1.541 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000318392128 444319190 /nfs/dbraw/zinc/31/91/90/444319190.db2.gz DVONZIAKBFXTSO-LBPRGKRZSA-N 1 2 343.836 1.211 20 30 EDEDLO CC[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000318392128 444319192 /nfs/dbraw/zinc/31/91/92/444319192.db2.gz DVONZIAKBFXTSO-LBPRGKRZSA-N 1 2 343.836 1.211 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000297516234 444295523 /nfs/dbraw/zinc/29/55/23/444295523.db2.gz MTXARKOLSWOGST-MRXNPFEDSA-N 1 2 342.443 1.487 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000297808143 444337162 /nfs/dbraw/zinc/33/71/62/444337162.db2.gz KRNXJFFZHAOCPD-QGZVFWFLSA-N 1 2 329.444 1.926 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000297808143 444337163 /nfs/dbraw/zinc/33/71/63/444337163.db2.gz KRNXJFFZHAOCPD-QGZVFWFLSA-N 1 2 329.444 1.926 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330990462 444348951 /nfs/dbraw/zinc/34/89/51/444348951.db2.gz MPENWCNFHJXQCS-DYVFJYSZSA-N 1 2 337.468 1.361 20 30 EDEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000325251846 444362885 /nfs/dbraw/zinc/36/28/85/444362885.db2.gz KZVSZXLTHBWRCA-CVEARBPZSA-N 1 2 332.400 1.716 20 30 EDEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000325251846 444362888 /nfs/dbraw/zinc/36/28/88/444362888.db2.gz KZVSZXLTHBWRCA-CVEARBPZSA-N 1 2 332.400 1.716 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328664606 444420089 /nfs/dbraw/zinc/42/00/89/444420089.db2.gz BVZXLAHEUWNVOF-XJADACSNSA-N 1 2 335.448 1.405 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328664606 444420092 /nfs/dbraw/zinc/42/00/92/444420092.db2.gz BVZXLAHEUWNVOF-XJADACSNSA-N 1 2 335.448 1.405 20 30 EDEDLO CSC1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CCOCC1 ZINC000328877848 444385456 /nfs/dbraw/zinc/38/54/56/444385456.db2.gz KSJRCKWYNRJPDL-KGLIPLIRSA-N 1 2 343.493 1.218 20 30 EDEDLO CSC1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CCOCC1 ZINC000328877848 444385460 /nfs/dbraw/zinc/38/54/60/444385460.db2.gz KSJRCKWYNRJPDL-KGLIPLIRSA-N 1 2 343.493 1.218 20 30 EDEDLO COc1ccc(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)nn1 ZINC000328674613 444425293 /nfs/dbraw/zinc/42/52/93/444425293.db2.gz JZSMJJFAOIHAEY-CQSZACIVSA-N 1 2 347.463 1.890 20 30 EDEDLO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328886353 444388374 /nfs/dbraw/zinc/38/83/74/444388374.db2.gz ZRLSZXFNGFEAGG-STQMWFEESA-N 1 2 329.408 1.558 20 30 EDEDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccc3n[nH]c(=O)n3c1)CCC2 ZINC000328911904 444398891 /nfs/dbraw/zinc/39/88/91/444398891.db2.gz OOUPOCDLZRDVPH-LLVKDONJSA-N 1 2 326.360 1.822 20 30 EDEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000331112423 444399277 /nfs/dbraw/zinc/39/92/77/444399277.db2.gz CDOXJIDJNGIUOD-CYBMUJFWSA-N 1 2 348.447 1.008 20 30 EDEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000331112423 444399281 /nfs/dbraw/zinc/39/92/81/444399281.db2.gz CDOXJIDJNGIUOD-CYBMUJFWSA-N 1 2 348.447 1.008 20 30 EDEDLO CCN1CCN(S(=O)(=O)CC(C)(C)CC#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000331311594 444464812 /nfs/dbraw/zinc/46/48/12/444464812.db2.gz HSHVQNZUDGLCCC-ZDUSSCGKSA-N 1 2 339.465 1.358 20 30 EDEDLO CC[NH+]1C[C@H](C)N(CCS(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000331361058 444468827 /nfs/dbraw/zinc/46/88/27/444468827.db2.gz YONYHDKZDGDSBT-GJZGRUSLSA-N 1 2 335.473 1.746 20 30 EDEDLO CC(C)C(=O)NC1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000329088324 444469333 /nfs/dbraw/zinc/46/93/33/444469333.db2.gz HVIIYORUNKLVDE-UHFFFAOYSA-N 1 2 337.464 1.845 20 30 EDEDLO CC(=O)N1CC[NH+](CCNC(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000331171703 444429951 /nfs/dbraw/zinc/42/99/51/444429951.db2.gz CWINWHAUTBVWTJ-UHFFFAOYSA-N 1 2 335.795 1.075 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000331172655 444430868 /nfs/dbraw/zinc/43/08/68/444430868.db2.gz DDQVKUPERYOIHQ-HNNXBMFYSA-N 1 2 343.493 1.443 20 30 EDEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329122645 444477765 /nfs/dbraw/zinc/47/77/65/444477765.db2.gz RGOFMFUKHVFFES-RHSMWYFYSA-N 1 2 334.420 1.841 20 30 EDEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329122645 444477769 /nfs/dbraw/zinc/47/77/69/444477769.db2.gz RGOFMFUKHVFFES-RHSMWYFYSA-N 1 2 334.420 1.841 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N2CC[C@H](C3CCCC3)C2)CC1 ZINC000332000434 444494469 /nfs/dbraw/zinc/49/44/69/444494469.db2.gz XQFCYFRIUZHZSJ-INIZCTEOSA-N 1 2 346.475 1.471 20 30 EDEDLO CC1(C#N)CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000332036098 444497281 /nfs/dbraw/zinc/49/72/81/444497281.db2.gz PHVQXKNBWAIECL-AWEZNQCLSA-N 1 2 329.400 1.568 20 30 EDEDLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000329194841 444497826 /nfs/dbraw/zinc/49/78/26/444497826.db2.gz UWNVDFJYHOBWKU-RWMBFGLXSA-N 1 2 329.466 1.221 20 30 EDEDLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000329194841 444497829 /nfs/dbraw/zinc/49/78/29/444497829.db2.gz UWNVDFJYHOBWKU-RWMBFGLXSA-N 1 2 329.466 1.221 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000332180733 444503652 /nfs/dbraw/zinc/50/36/52/444503652.db2.gz OPHGJYIYJBFKMM-CQSZACIVSA-N 1 2 328.416 1.489 20 30 EDEDLO CC1CC[NH+](CC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000329222641 444504983 /nfs/dbraw/zinc/50/49/83/444504983.db2.gz WSYSGBCOUNHHSA-GDBMZVCRSA-N 1 2 344.477 1.411 20 30 EDEDLO CO[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1(C)C ZINC000329229328 444507063 /nfs/dbraw/zinc/50/70/63/444507063.db2.gz JGIIJJOITYIOEH-APIJFGDWSA-N 1 2 325.453 1.509 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)C[C@@H]21 ZINC000329235674 444508799 /nfs/dbraw/zinc/50/87/99/444508799.db2.gz NSRQYNSLGWHSAP-FJIDUMEYSA-N 1 2 345.443 1.693 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)C[C@@H]21 ZINC000329235674 444508800 /nfs/dbraw/zinc/50/88/00/444508800.db2.gz NSRQYNSLGWHSAP-FJIDUMEYSA-N 1 2 345.443 1.693 20 30 EDEDLO CCC1(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCOCC1 ZINC000329250001 444512856 /nfs/dbraw/zinc/51/28/56/444512856.db2.gz UDHLTNCOIRTWDD-UHFFFAOYSA-N 1 2 347.463 1.762 20 30 EDEDLO C[C@H](CNC(=O)N1CCCC[C@@H]1c1ccnn1C)[NH+]1CCOCC1 ZINC000329263363 444515832 /nfs/dbraw/zinc/51/58/32/444515832.db2.gz GKVIATJLSLABPK-GDBMZVCRSA-N 1 2 335.452 1.582 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332524213 444518277 /nfs/dbraw/zinc/51/82/77/444518277.db2.gz NXVYPKPAPNXVLC-SJORKVTESA-N 1 2 346.427 1.805 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332524213 444518279 /nfs/dbraw/zinc/51/82/79/444518279.db2.gz NXVYPKPAPNXVLC-SJORKVTESA-N 1 2 346.427 1.805 20 30 EDEDLO Cn1c(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)nnc1C1CC1 ZINC000329313319 444530607 /nfs/dbraw/zinc/53/06/07/444530607.db2.gz CFZLOJOFMAMJSB-CQSZACIVSA-N 1 2 333.436 1.792 20 30 EDEDLO Cn1c(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)nnc1C1CC1 ZINC000329313319 444530609 /nfs/dbraw/zinc/53/06/09/444530609.db2.gz CFZLOJOFMAMJSB-CQSZACIVSA-N 1 2 333.436 1.792 20 30 EDEDLO CC[C@H]1CCCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329448717 444583470 /nfs/dbraw/zinc/58/34/70/444583470.db2.gz OINKGLQDWWROAJ-HNNXBMFYSA-N 1 2 345.447 1.889 20 30 EDEDLO C[C@H](NC(=O)C1CCCC1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329387379 444559031 /nfs/dbraw/zinc/55/90/31/444559031.db2.gz QEJZEZSZCPOBCK-IJEWVQPXSA-N 1 2 337.464 1.843 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329426715 444574598 /nfs/dbraw/zinc/57/45/98/444574598.db2.gz GENVZPMVALMARK-HNNXBMFYSA-N 1 2 337.464 1.845 20 30 EDEDLO COc1cc(NC(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)ncn1 ZINC000329334181 444539621 /nfs/dbraw/zinc/53/96/21/444539621.db2.gz NXCQVEOKVMREOZ-LLVKDONJSA-N 1 2 348.407 1.156 20 30 EDEDLO O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329335371 444539745 /nfs/dbraw/zinc/53/97/45/444539745.db2.gz LCYVGVVHYGEYHO-CZUORRHYSA-N 1 2 344.415 1.460 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000342266438 444600206 /nfs/dbraw/zinc/60/02/06/444600206.db2.gz OZZGFEDQNSZNJN-YJBOKZPZSA-N 1 2 339.439 1.911 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCC2CCOCC2)CC1 ZINC000329643800 444663244 /nfs/dbraw/zinc/66/32/44/444663244.db2.gz YZRZGHFUSROECR-AWEZNQCLSA-N 1 2 337.464 1.845 20 30 EDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000329680122 444676945 /nfs/dbraw/zinc/67/69/45/444676945.db2.gz WHIUTKZKUZSKLU-AWEZNQCLSA-N 1 2 335.408 1.701 20 30 EDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1 ZINC000329680122 444676947 /nfs/dbraw/zinc/67/69/47/444676947.db2.gz WHIUTKZKUZSKLU-AWEZNQCLSA-N 1 2 335.408 1.701 20 30 EDEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329688425 444680005 /nfs/dbraw/zinc/68/00/05/444680005.db2.gz VKQQKCPDXMFIAY-ZBFHGGJFSA-N 1 2 346.431 1.462 20 30 EDEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329688425 444680009 /nfs/dbraw/zinc/68/00/09/444680009.db2.gz VKQQKCPDXMFIAY-ZBFHGGJFSA-N 1 2 346.431 1.462 20 30 EDEDLO Cn1cc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(-c2ccccc2)n1 ZINC000329589484 444640008 /nfs/dbraw/zinc/64/00/08/444640008.db2.gz ZJBHGDSHXWJRHR-HOTGVXAUSA-N 1 2 341.415 1.647 20 30 EDEDLO Cn1cc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(-c2ccccc2)n1 ZINC000329589484 444640011 /nfs/dbraw/zinc/64/00/11/444640011.db2.gz ZJBHGDSHXWJRHR-HOTGVXAUSA-N 1 2 341.415 1.647 20 30 EDEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329757416 444705026 /nfs/dbraw/zinc/70/50/26/444705026.db2.gz MXQOWGBNLSRVLY-XHSDSOJGSA-N 1 2 330.432 1.799 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)CN1CCOCC1=O)C2 ZINC000329827590 444731990 /nfs/dbraw/zinc/73/19/90/444731990.db2.gz CUSRPKVTPFDMQC-GFCCVEGCSA-N 1 2 334.420 1.311 20 30 EDEDLO O=C(NC[C@H]1CCCS(=O)(=O)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329713516 444689216 /nfs/dbraw/zinc/68/92/16/444689216.db2.gz RPZBTWJPSLLMKN-OLZOCXBDSA-N 1 2 340.449 1.676 20 30 EDEDLO COCC1(C#N)CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000341257189 444751396 /nfs/dbraw/zinc/75/13/96/444751396.db2.gz MWYOYYOOPQQDPI-UHFFFAOYSA-N 1 2 331.420 1.609 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341266514 444754187 /nfs/dbraw/zinc/75/41/87/444754187.db2.gz IHEBXFJAERTFOT-WMLDXEAASA-N 1 2 339.399 1.926 20 30 EDEDLO COc1c(F)cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1F ZINC000329913934 444765596 /nfs/dbraw/zinc/76/55/96/444765596.db2.gz CCYLWWQWZJSJBG-CHWSQXEVSA-N 1 2 327.331 1.534 20 30 EDEDLO COc1c(F)cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1F ZINC000329913934 444765600 /nfs/dbraw/zinc/76/56/00/444765600.db2.gz CCYLWWQWZJSJBG-CHWSQXEVSA-N 1 2 327.331 1.534 20 30 EDEDLO COCC1(C#N)CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000341308728 444772419 /nfs/dbraw/zinc/77/24/19/444772419.db2.gz WBRCBZYURJXVIS-UHFFFAOYSA-N 1 2 331.420 1.609 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC4CCCC4)nc3)C[C@@H]21 ZINC000329927847 444773309 /nfs/dbraw/zinc/77/33/09/444773309.db2.gz LYDBLUCVEGDHNK-JKSUJKDBSA-N 1 2 346.431 1.963 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc(OC4CCCC4)nc3)C[C@@H]21 ZINC000329927847 444773314 /nfs/dbraw/zinc/77/33/14/444773314.db2.gz LYDBLUCVEGDHNK-JKSUJKDBSA-N 1 2 346.431 1.963 20 30 EDEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329935024 444777137 /nfs/dbraw/zinc/77/71/37/444777137.db2.gz QWHIZHMPAKHBJB-KBMXLJTQSA-N 1 2 346.431 1.460 20 30 EDEDLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329935024 444777141 /nfs/dbraw/zinc/77/71/41/444777141.db2.gz QWHIZHMPAKHBJB-KBMXLJTQSA-N 1 2 346.431 1.460 20 30 EDEDLO Cc1nc(CNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)sc1C ZINC000329946282 444781891 /nfs/dbraw/zinc/78/18/91/444781891.db2.gz GHHXBBAMEAUATP-ZDUSSCGKSA-N 1 2 348.476 1.896 20 30 EDEDLO Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC000330162293 444868985 /nfs/dbraw/zinc/86/89/85/444868985.db2.gz SFRSNJITOXSNRY-OLZOCXBDSA-N 1 2 342.403 1.331 20 30 EDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCN1CC(F)F ZINC000330180283 444876244 /nfs/dbraw/zinc/87/62/44/444876244.db2.gz FXICFMSJPBSKHG-QWHCGFSZSA-N 1 2 341.406 1.773 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCOC2(CCOCC2)C1 ZINC000330181442 444876615 /nfs/dbraw/zinc/87/66/15/444876615.db2.gz OBUQYEOUBLTVCZ-UHFFFAOYSA-N 1 2 334.420 1.515 20 30 EDEDLO Cc1ccc2[nH+]c(CNC(=O)C(=O)Nc3cccc(C#N)c3)cn2c1 ZINC000342876691 444909980 /nfs/dbraw/zinc/90/99/80/444909980.db2.gz STUVFJWHGJTUQT-UHFFFAOYSA-N 1 2 333.351 1.769 20 30 EDEDLO CC(=O)N[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000330543439 445027110 /nfs/dbraw/zinc/02/71/10/445027110.db2.gz TXIPDLFBEODVNC-LLVKDONJSA-N 1 2 347.341 1.460 20 30 EDEDLO COc1cc(OC)cc(-n2nnnc2C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000339012805 444984766 /nfs/dbraw/zinc/98/47/66/444984766.db2.gz FAHNNOBXYSNELT-QWHCGFSZSA-N 1 2 342.403 1.804 20 30 EDEDLO COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000339012805 444984770 /nfs/dbraw/zinc/98/47/70/444984770.db2.gz FAHNNOBXYSNELT-QWHCGFSZSA-N 1 2 342.403 1.804 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000330486080 445001131 /nfs/dbraw/zinc/00/11/31/445001131.db2.gz CYFZGOUIMZXSRO-DRCTWCGVSA-N 1 2 341.358 1.511 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000330486080 445001133 /nfs/dbraw/zinc/00/11/33/445001133.db2.gz CYFZGOUIMZXSRO-DRCTWCGVSA-N 1 2 341.358 1.511 20 30 EDEDLO C=CCOCC[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000339046042 445006839 /nfs/dbraw/zinc/00/68/39/445006839.db2.gz UZNRFKLXMHCFAI-AWEZNQCLSA-N 1 2 330.384 1.186 20 30 EDEDLO C=CCOCC[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000339046042 445006843 /nfs/dbraw/zinc/00/68/43/445006843.db2.gz UZNRFKLXMHCFAI-AWEZNQCLSA-N 1 2 330.384 1.186 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339157627 445063209 /nfs/dbraw/zinc/06/32/09/445063209.db2.gz LSBOQTRGDNCWKF-IJEWVQPXSA-N 1 2 343.493 1.186 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339157627 445063213 /nfs/dbraw/zinc/06/32/13/445063213.db2.gz LSBOQTRGDNCWKF-IJEWVQPXSA-N 1 2 343.493 1.186 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000339177796 445074092 /nfs/dbraw/zinc/07/40/92/445074092.db2.gz WIDHZIYQCIKZEJ-ORAYPTAESA-N 1 2 349.394 1.225 20 30 EDEDLO CC(=O)N1CC[NH+](CCNC(=O)c2cc(CC(C)C)[nH]c(=O)c2)CC1 ZINC000330709698 445106536 /nfs/dbraw/zinc/10/65/36/445106536.db2.gz OMVDDWUXNHGDCQ-UHFFFAOYSA-N 1 2 348.447 1.454 20 30 EDEDLO N#CCCN(CC1CC1)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343277802 445174815 /nfs/dbraw/zinc/17/48/15/445174815.db2.gz YZKGVEAGSYAEAJ-UHFFFAOYSA-N 1 2 328.416 1.680 20 30 EDEDLO N#Cc1ccc(NCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)nc1 ZINC000345532551 445189310 /nfs/dbraw/zinc/18/93/10/445189310.db2.gz ASTOLDZZNAFYKN-UHFFFAOYSA-N 1 2 336.399 1.677 20 30 EDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(SCC#N)c1 ZINC000344982207 445154947 /nfs/dbraw/zinc/15/49/47/445154947.db2.gz FWICJOHJWCVHBQ-OAHLLOKOSA-N 1 2 349.456 1.067 20 30 EDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCN1CC(F)F ZINC000346571981 445218745 /nfs/dbraw/zinc/21/87/45/445218745.db2.gz QSBKXJOBALSYGT-CHWSQXEVSA-N 1 2 328.407 1.599 20 30 EDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCN1CC(F)F ZINC000346571981 445218746 /nfs/dbraw/zinc/21/87/46/445218746.db2.gz QSBKXJOBALSYGT-CHWSQXEVSA-N 1 2 328.407 1.599 20 30 EDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000347689389 445244948 /nfs/dbraw/zinc/24/49/48/445244948.db2.gz LHDXYTUAILDEAG-BBRMVZONSA-N 1 2 326.400 1.799 20 30 EDEDLO COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000347696437 445245453 /nfs/dbraw/zinc/24/54/53/445245453.db2.gz BLMRGMHEKBEJGF-KBPBESRZSA-N 1 2 344.415 1.185 20 30 EDEDLO N#Cc1cccc(CNC(=O)CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000348307793 445250824 /nfs/dbraw/zinc/25/08/24/445250824.db2.gz CYHXQJKQIPGLOP-UHFFFAOYSA-N 1 2 349.438 1.387 20 30 EDEDLO CCCc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccn1 ZINC000354723324 445351441 /nfs/dbraw/zinc/35/14/41/445351441.db2.gz SBUWHHFJMXRHQN-UHFFFAOYSA-N 1 2 330.432 1.722 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000362798208 445554468 /nfs/dbraw/zinc/55/44/68/445554468.db2.gz PFPHWITYRPVJQL-ZVZYQTTQSA-N 1 2 345.443 1.904 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc(C#N)s2)C1 ZINC000357798978 445583222 /nfs/dbraw/zinc/58/32/22/445583222.db2.gz INCMQJPFLXYYKL-GFCCVEGCSA-N 1 2 327.413 1.756 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc(C#N)s2)C1 ZINC000357798978 445583230 /nfs/dbraw/zinc/58/32/30/445583230.db2.gz INCMQJPFLXYYKL-GFCCVEGCSA-N 1 2 327.413 1.756 20 30 EDEDLO C=CCNc1nnc(SC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000353330491 445588821 /nfs/dbraw/zinc/58/88/21/445588821.db2.gz LCGSEQIHMDRUIC-GRYCIOLGSA-N 1 2 344.506 1.698 20 30 EDEDLO C=CCNc1nnc(SC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000353330491 445588826 /nfs/dbraw/zinc/58/88/26/445588826.db2.gz LCGSEQIHMDRUIC-GRYCIOLGSA-N 1 2 344.506 1.698 20 30 EDEDLO Cc1cc(C[NH+]2CCN(CC(=O)N3CCCCC3)CC2)ccc1C#N ZINC000362968400 445630524 /nfs/dbraw/zinc/63/05/24/445630524.db2.gz YUSMYJOKVBLMFL-UHFFFAOYSA-N 1 2 340.471 1.997 20 30 EDEDLO Cc1cc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)ccc1C#N ZINC000362968400 445630530 /nfs/dbraw/zinc/63/05/30/445630530.db2.gz YUSMYJOKVBLMFL-UHFFFAOYSA-N 1 2 340.471 1.997 20 30 EDEDLO CN(C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000353362960 445590861 /nfs/dbraw/zinc/59/08/61/445590861.db2.gz HJOKDXFTIFEOTC-ZBFHGGJFSA-N 1 2 344.394 1.304 20 30 EDEDLO CN(C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)c1c[nH]c(C#N)c1 ZINC000353362960 445590865 /nfs/dbraw/zinc/59/08/65/445590865.db2.gz HJOKDXFTIFEOTC-ZBFHGGJFSA-N 1 2 344.394 1.304 20 30 EDEDLO Cc1nc(C2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)no1 ZINC000363444533 445806454 /nfs/dbraw/zinc/80/64/54/445806454.db2.gz TYQNAQMKHYQHEK-UHFFFAOYSA-N 1 2 331.420 1.900 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](CC)CCCC)CC1 ZINC000364562011 445932742 /nfs/dbraw/zinc/93/27/42/445932742.db2.gz RFDDJKSQSNCAQU-KRWDZBQOSA-N 1 2 335.492 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](CC)CCCC)CC1 ZINC000364562011 445932747 /nfs/dbraw/zinc/93/27/47/445932747.db2.gz RFDDJKSQSNCAQU-KRWDZBQOSA-N 1 2 335.492 1.877 20 30 EDEDLO Cc1cc(C)c(C#N)c(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)n1 ZINC000365918422 445904780 /nfs/dbraw/zinc/90/47/80/445904780.db2.gz IPURNQPCZXKUSF-MRXNPFEDSA-N 1 2 327.432 1.361 20 30 EDEDLO C#CCC1(C(=O)N2CCO[C@H](C[NH+]3CCN(C)CC3)C2)CCCCC1 ZINC000364414964 445918329 /nfs/dbraw/zinc/91/83/29/445918329.db2.gz DVTHVOWHFNGZLA-GOSISDBHSA-N 1 2 347.503 1.435 20 30 EDEDLO CCc1nc(C[NH+]2C[C@H]3CN(c4c(C#N)cccc4C#N)C[C@@H]3C2)no1 ZINC000373064896 446002582 /nfs/dbraw/zinc/00/25/82/446002582.db2.gz ZEWRVHORAZQQJP-HOTGVXAUSA-N 1 2 348.410 1.944 20 30 EDEDLO CC(C)COC[C@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000361938767 446088059 /nfs/dbraw/zinc/08/80/59/446088059.db2.gz LJHKWJOAGOFTEX-GOSISDBHSA-N 1 2 345.443 1.236 20 30 EDEDLO CC(C)COC[C@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000361938767 446088064 /nfs/dbraw/zinc/08/80/64/446088064.db2.gz LJHKWJOAGOFTEX-GOSISDBHSA-N 1 2 345.443 1.236 20 30 EDEDLO COc1cncc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC000369354753 446098071 /nfs/dbraw/zinc/09/80/71/446098071.db2.gz NCIFDWJLYFUIRE-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1F ZINC000354327963 446116180 /nfs/dbraw/zinc/11/61/80/446116180.db2.gz SVFCHPRAFVIDDN-UHFFFAOYSA-N 1 2 341.346 1.765 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000354327963 446116191 /nfs/dbraw/zinc/11/61/91/446116191.db2.gz SVFCHPRAFVIDDN-UHFFFAOYSA-N 1 2 341.346 1.765 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365853711 446371512 /nfs/dbraw/zinc/37/15/12/446371512.db2.gz OIDKTFFNTOBWAA-KRWDZBQOSA-N 1 2 331.420 1.374 20 30 EDEDLO Cc1nnc2n1CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000374895584 446441051 /nfs/dbraw/zinc/44/10/51/446441051.db2.gz NGLSAHNTWJUTOS-UHFFFAOYSA-N 1 2 333.399 1.875 20 30 EDEDLO Cc1nnc2n1CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000374895584 446441056 /nfs/dbraw/zinc/44/10/56/446441056.db2.gz NGLSAHNTWJUTOS-UHFFFAOYSA-N 1 2 333.399 1.875 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432302163 446458539 /nfs/dbraw/zinc/45/85/39/446458539.db2.gz PEIFUPVINXYGOE-OAHLLOKOSA-N 1 2 347.444 1.911 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3nc(C)cc(C#N)n3)CC2)no1 ZINC000376395378 446472935 /nfs/dbraw/zinc/47/29/35/446472935.db2.gz NEGSEQPSSCTVFL-HNNXBMFYSA-N 1 2 341.419 1.839 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3nc(C)cc(C#N)n3)CC2)no1 ZINC000376395378 446472941 /nfs/dbraw/zinc/47/29/41/446472941.db2.gz NEGSEQPSSCTVFL-HNNXBMFYSA-N 1 2 341.419 1.839 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370906311 446511792 /nfs/dbraw/zinc/51/17/92/446511792.db2.gz VEKNILNEPZPXKM-MAUKXSAKSA-N 1 2 334.464 1.518 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000370906311 446511797 /nfs/dbraw/zinc/51/17/97/446511797.db2.gz VEKNILNEPZPXKM-MAUKXSAKSA-N 1 2 334.464 1.518 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000453581401 446563672 /nfs/dbraw/zinc/56/36/72/446563672.db2.gz RJJAYBAXQTZOBG-UHFFFAOYSA-N 1 2 344.415 1.032 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000376554842 446572489 /nfs/dbraw/zinc/57/24/89/446572489.db2.gz SVURWDIQCXXRIY-ZDUSSCGKSA-N 1 2 332.429 1.503 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000376554842 446572494 /nfs/dbraw/zinc/57/24/94/446572494.db2.gz SVURWDIQCXXRIY-ZDUSSCGKSA-N 1 2 332.429 1.503 20 30 EDEDLO C#CCN(C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1)C1CCCC1 ZINC000371167624 446667479 /nfs/dbraw/zinc/66/74/79/446667479.db2.gz VZIUGLOTGZKWGM-IBGZPJMESA-N 1 2 349.475 1.455 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000411980152 446773099 /nfs/dbraw/zinc/77/30/99/446773099.db2.gz ITWMOHIVECWTQM-KXBFYZLASA-N 1 2 326.396 1.883 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000411980152 446773107 /nfs/dbraw/zinc/77/31/07/446773107.db2.gz ITWMOHIVECWTQM-KXBFYZLASA-N 1 2 326.396 1.883 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCN4CCOC[C@@H]4C3)o2)cc1 ZINC000368330413 446789979 /nfs/dbraw/zinc/78/99/79/446789979.db2.gz VZFOFCITHIFJLN-HNNXBMFYSA-N 1 2 325.372 1.125 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCN4CCOC[C@@H]4C3)o2)cc1 ZINC000368330413 446789985 /nfs/dbraw/zinc/78/99/85/446789985.db2.gz VZFOFCITHIFJLN-HNNXBMFYSA-N 1 2 325.372 1.125 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000368402657 446839734 /nfs/dbraw/zinc/83/97/34/446839734.db2.gz MTGBTFGWQARMSS-SJLPKXTDSA-N 1 2 339.480 1.912 20 30 EDEDLO C=CCCn1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000424549207 446895576 /nfs/dbraw/zinc/89/55/76/446895576.db2.gz XGNUJFBGDVZGOT-UHFFFAOYSA-N 1 2 341.415 1.939 20 30 EDEDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C)c1cccc(C#N)c1 ZINC000442686025 446935693 /nfs/dbraw/zinc/93/56/93/446935693.db2.gz WDWXSOSRAMSIOT-CZUORRHYSA-N 1 2 349.456 1.244 20 30 EDEDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C)c1cccc(C#N)c1 ZINC000442686025 446935697 /nfs/dbraw/zinc/93/56/97/446935697.db2.gz WDWXSOSRAMSIOT-CZUORRHYSA-N 1 2 349.456 1.244 20 30 EDEDLO COCC(COC)[NH+]1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000412433674 446955078 /nfs/dbraw/zinc/95/50/78/446955078.db2.gz DHJJDOXHKCNTJP-UHFFFAOYSA-N 1 2 335.379 1.117 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)c(C(F)(F)F)c1 ZINC000443724302 447061302 /nfs/dbraw/zinc/06/13/02/447061302.db2.gz MUFOXUUBAQSBME-UHFFFAOYSA-N 1 2 333.335 1.561 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(c2ncc(C#N)cc2F)C1 ZINC000413271768 447107382 /nfs/dbraw/zinc/10/73/82/447107382.db2.gz QHNHWNZARWRDSK-QGZVFWFLSA-N 1 2 334.395 1.992 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000368746363 447081199 /nfs/dbraw/zinc/08/11/99/447081199.db2.gz OPEWYMLIKYGQHY-QGZVFWFLSA-N 1 2 348.451 1.369 20 30 EDEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000419365994 447129172 /nfs/dbraw/zinc/12/91/72/447129172.db2.gz XXZXBDHSZZOYOR-HNNXBMFYSA-N 1 2 334.803 1.445 20 30 EDEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000419365994 447129185 /nfs/dbraw/zinc/12/91/85/447129185.db2.gz XXZXBDHSZZOYOR-HNNXBMFYSA-N 1 2 334.803 1.445 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000368820273 447133928 /nfs/dbraw/zinc/13/39/28/447133928.db2.gz CUMDBOXAIQPYPU-CJNGLKHVSA-N 1 2 344.415 1.754 20 30 EDEDLO N#C[C@@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)C[C@]12c1ccccc1NC2=O ZINC000375964470 447178761 /nfs/dbraw/zinc/17/87/61/447178761.db2.gz XJGKLPRHEYJSPE-FOIQADDNSA-N 1 2 346.390 1.631 20 30 EDEDLO N#C[C@@H]1C[N@H+](Cc2cccc(C(N)=O)c2)C[C@]12c1ccccc1NC2=O ZINC000375964470 447178768 /nfs/dbraw/zinc/17/87/68/447178768.db2.gz XJGKLPRHEYJSPE-FOIQADDNSA-N 1 2 346.390 1.631 20 30 EDEDLO CC[C@](C)(C(=O)OC)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC1CC1 ZINC000425518690 447206544 /nfs/dbraw/zinc/20/65/44/447206544.db2.gz ZVOTUKHVQURFRJ-ZWKOTPCHSA-N 1 2 335.448 1.849 20 30 EDEDLO CC[C@](C)(C(=O)OC)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC1CC1 ZINC000425518690 447206549 /nfs/dbraw/zinc/20/65/49/447206549.db2.gz ZVOTUKHVQURFRJ-ZWKOTPCHSA-N 1 2 335.448 1.849 20 30 EDEDLO CCc1nc([C@@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)no1 ZINC000377501303 447169569 /nfs/dbraw/zinc/16/95/69/447169569.db2.gz VWKLPYUMPYJBEP-DYVFJYSZSA-N 1 2 333.436 1.866 20 30 EDEDLO CCc1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)no1 ZINC000377501303 447169572 /nfs/dbraw/zinc/16/95/72/447169572.db2.gz VWKLPYUMPYJBEP-DYVFJYSZSA-N 1 2 333.436 1.866 20 30 EDEDLO CCc1ncc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000414399909 447298687 /nfs/dbraw/zinc/29/86/87/447298687.db2.gz LXUDGGVHOBXBDW-AUUYWEPGSA-N 1 2 333.395 1.884 20 30 EDEDLO CCc1ncc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cn1 ZINC000414399909 447298693 /nfs/dbraw/zinc/29/86/93/447298693.db2.gz LXUDGGVHOBXBDW-AUUYWEPGSA-N 1 2 333.395 1.884 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000413993453 447271270 /nfs/dbraw/zinc/27/12/70/447271270.db2.gz ZPYVRHMLDUMBBF-WMZOPIPTSA-N 1 2 340.427 1.761 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000413993453 447271273 /nfs/dbraw/zinc/27/12/73/447271273.db2.gz ZPYVRHMLDUMBBF-WMZOPIPTSA-N 1 2 340.427 1.761 20 30 EDEDLO CCN(CC)C(=O)c1cccc(OC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000414144609 447278029 /nfs/dbraw/zinc/27/80/29/447278029.db2.gz JTCGEWODYQUCDP-INIZCTEOSA-N 1 2 333.432 1.754 20 30 EDEDLO CCN(CC)C(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414144609 447278039 /nfs/dbraw/zinc/27/80/39/447278039.db2.gz JTCGEWODYQUCDP-INIZCTEOSA-N 1 2 333.432 1.754 20 30 EDEDLO N#C[C@@H]1CSCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450400035 447478316 /nfs/dbraw/zinc/47/83/16/447478316.db2.gz BKNQTXJZOVGEFM-GFCCVEGCSA-N 1 2 343.368 1.862 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)NCC(C)(C)CC#N)C2 ZINC000422482178 447587056 /nfs/dbraw/zinc/58/70/56/447587056.db2.gz QZYAJHKJYFTERG-UHFFFAOYSA-N 1 2 345.447 1.484 20 30 EDEDLO C=CC(C)(C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000458990267 447530495 /nfs/dbraw/zinc/53/04/95/447530495.db2.gz RCPBGYBMIKOLJJ-GJZGRUSLSA-N 1 2 337.443 1.844 20 30 EDEDLO C=CC(C)(C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000458990267 447530501 /nfs/dbraw/zinc/53/05/01/447530501.db2.gz RCPBGYBMIKOLJJ-GJZGRUSLSA-N 1 2 337.443 1.844 20 30 EDEDLO C=CCC1(CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCCC1 ZINC000459049960 447552371 /nfs/dbraw/zinc/55/23/71/447552371.db2.gz MAHFCCQTNYWXTK-UHFFFAOYSA-N 1 2 336.480 1.714 20 30 EDEDLO C=CCOCCN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495724996 447563223 /nfs/dbraw/zinc/56/32/23/447563223.db2.gz DJSGNLKASVAUHH-MRXNPFEDSA-N 1 2 339.480 1.816 20 30 EDEDLO C=C(CC)CNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000459085157 447568262 /nfs/dbraw/zinc/56/82/62/447568262.db2.gz VJSBRIFZOBSCQW-KRWDZBQOSA-N 1 2 347.459 1.720 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000495868286 447610524 /nfs/dbraw/zinc/61/05/24/447610524.db2.gz JUSJSUXELRPNGH-CPUCHLNUSA-N 1 2 338.452 1.592 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000495868286 447610532 /nfs/dbraw/zinc/61/05/32/447610532.db2.gz JUSJSUXELRPNGH-CPUCHLNUSA-N 1 2 338.452 1.592 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000416583512 447654554 /nfs/dbraw/zinc/65/45/54/447654554.db2.gz CEUVGQAMMXSEMW-HNNXBMFYSA-N 1 2 333.457 1.826 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000416583512 447654561 /nfs/dbraw/zinc/65/45/61/447654561.db2.gz CEUVGQAMMXSEMW-HNNXBMFYSA-N 1 2 333.457 1.826 20 30 EDEDLO C=C(CC)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000458113182 447721680 /nfs/dbraw/zinc/72/16/80/447721680.db2.gz XHYYFNHXLZOVRF-UHFFFAOYSA-N 1 2 345.447 1.386 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000451640490 447742917 /nfs/dbraw/zinc/74/29/17/447742917.db2.gz DSTXJXLPTZAFEZ-GFCCVEGCSA-N 1 2 333.388 1.290 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000451640490 447742920 /nfs/dbraw/zinc/74/29/20/447742920.db2.gz DSTXJXLPTZAFEZ-GFCCVEGCSA-N 1 2 333.388 1.290 20 30 EDEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451993200 447797733 /nfs/dbraw/zinc/79/77/33/447797733.db2.gz MSOMFUAKHFMACY-HNNXBMFYSA-N 1 2 329.404 1.232 20 30 EDEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451993200 447797737 /nfs/dbraw/zinc/79/77/37/447797737.db2.gz MSOMFUAKHFMACY-HNNXBMFYSA-N 1 2 329.404 1.232 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCOC)Cc1scnc1C ZINC000489410592 447855469 /nfs/dbraw/zinc/85/54/69/447855469.db2.gz HXMGBHDONVSLBT-ZDUSSCGKSA-N 1 2 338.477 1.908 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCOC)Cc1scnc1C ZINC000489410592 447855470 /nfs/dbraw/zinc/85/54/70/447855470.db2.gz HXMGBHDONVSLBT-ZDUSSCGKSA-N 1 2 338.477 1.908 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1nccc(C#N)n1 ZINC000496600314 447830182 /nfs/dbraw/zinc/83/01/82/447830182.db2.gz NYEFZEUSTPUQEE-CYBMUJFWSA-N 1 2 332.408 1.311 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1nccc(C#N)n1 ZINC000496600314 447830184 /nfs/dbraw/zinc/83/01/84/447830184.db2.gz NYEFZEUSTPUQEE-CYBMUJFWSA-N 1 2 332.408 1.311 20 30 EDEDLO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@@H+]2CC(=O)NCC#N ZINC000496765083 447894153 /nfs/dbraw/zinc/89/41/53/447894153.db2.gz CXOOZBLNWCEKII-UHFFFAOYSA-N 1 2 336.436 1.395 20 30 EDEDLO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@H+]2CC(=O)NCC#N ZINC000496765083 447894160 /nfs/dbraw/zinc/89/41/60/447894160.db2.gz CXOOZBLNWCEKII-UHFFFAOYSA-N 1 2 336.436 1.395 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000491209866 447958762 /nfs/dbraw/zinc/95/87/62/447958762.db2.gz MWFOMRIQBOZMQX-UHFFFAOYSA-N 1 2 337.370 1.155 20 30 EDEDLO C[C@@H]1C[N@H+](Cn2cccc(C#N)c2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000497170903 447918854 /nfs/dbraw/zinc/91/88/54/447918854.db2.gz SSIYIPXORRNPFG-UKRRQHHQSA-N 1 2 346.431 1.913 20 30 EDEDLO C[C@@H]1C[N@@H+](Cn2cccc(C#N)c2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000497170903 447918858 /nfs/dbraw/zinc/91/88/58/447918858.db2.gz SSIYIPXORRNPFG-UKRRQHHQSA-N 1 2 346.431 1.913 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@]3(C)CCCO3)n2CC(=C)C)CC1 ZINC000491485209 448040884 /nfs/dbraw/zinc/04/08/84/448040884.db2.gz NDWJHNXASZJBJT-SFHVURJKSA-N 1 2 329.448 1.635 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000491524414 448053552 /nfs/dbraw/zinc/05/35/52/448053552.db2.gz LIINEWLLYZBWMC-CQSZACIVSA-N 1 2 330.388 1.093 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)Nc3ccc(C)cc3)CC2)C1=O ZINC000531094195 448017014 /nfs/dbraw/zinc/01/70/14/448017014.db2.gz WHYJMCOXDQOWPI-QGZVFWFLSA-N 1 2 342.443 1.931 20 30 EDEDLO CC[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000527135607 448168590 /nfs/dbraw/zinc/16/85/90/448168590.db2.gz XMWTWNUYBDOAJX-MRXNPFEDSA-N 1 2 340.427 1.676 20 30 EDEDLO CC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000527135607 448168591 /nfs/dbraw/zinc/16/85/91/448168591.db2.gz XMWTWNUYBDOAJX-MRXNPFEDSA-N 1 2 340.427 1.676 20 30 EDEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3ccnc(C#N)n3)CC2)CC1 ZINC000514949031 448231207 /nfs/dbraw/zinc/23/12/07/448231207.db2.gz ADSBCVAZRMDDCI-UHFFFAOYSA-N 1 2 342.447 1.165 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562361707 448249042 /nfs/dbraw/zinc/24/90/42/448249042.db2.gz YXZWKAJEBJYFND-UHFFFAOYSA-N 1 2 325.416 1.276 20 30 EDEDLO COc1ccc(-n2cnnc2SC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000591241256 448296991 /nfs/dbraw/zinc/29/69/91/448296991.db2.gz RIVJXFOJCCOVTG-CQSZACIVSA-N 1 2 347.444 1.574 20 30 EDEDLO COc1ccc(-n2cnnc2SC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000591241256 448296995 /nfs/dbraw/zinc/29/69/95/448296995.db2.gz RIVJXFOJCCOVTG-CQSZACIVSA-N 1 2 347.444 1.574 20 30 EDEDLO Cc1cc(F)ccc1-n1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1 ZINC000565052195 448353078 /nfs/dbraw/zinc/35/30/78/448353078.db2.gz VYAQMTZJIOHDOX-MRXNPFEDSA-N 1 2 330.367 1.289 20 30 EDEDLO N#Cc1cncc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)n1 ZINC000591458176 448370085 /nfs/dbraw/zinc/37/00/85/448370085.db2.gz HVDQBEQFPRHVRG-UHFFFAOYSA-N 1 2 336.399 1.863 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000577573156 448327846 /nfs/dbraw/zinc/32/78/46/448327846.db2.gz LJZMRJUWNUFMGP-SJORKVTESA-N 1 2 347.463 1.229 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000564391268 448328233 /nfs/dbraw/zinc/32/82/33/448328233.db2.gz ZRMCKEBIQVEQCU-YOEHRIQHSA-N 1 2 337.489 1.480 20 30 EDEDLO CN1C(=O)C[C@@H]([NH2+]Cc2ncc(C#N)cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000572467350 448384961 /nfs/dbraw/zinc/38/49/61/448384961.db2.gz AQBGWQBVCPSOAA-RHSMWYFYSA-N 1 2 343.337 1.688 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(NC(=O)C(C)(C)C)nc1 ZINC000516774283 448473354 /nfs/dbraw/zinc/47/33/54/448473354.db2.gz LGHIFZTXJRJSMY-KRWDZBQOSA-N 1 2 331.420 1.640 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(CO)ccc3F)CC2)n1 ZINC000528446348 448531896 /nfs/dbraw/zinc/53/18/96/448531896.db2.gz AQZFXBFTGPFGJJ-UHFFFAOYSA-N 1 2 326.375 1.907 20 30 EDEDLO Cc1nnc([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000566783371 448557356 /nfs/dbraw/zinc/55/73/56/448557356.db2.gz ASAAUOQKEZEKBN-HNNXBMFYSA-N 1 2 338.415 1.849 20 30 EDEDLO Cc1nnc([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)[nH]1 ZINC000566783371 448557360 /nfs/dbraw/zinc/55/73/60/448557360.db2.gz ASAAUOQKEZEKBN-HNNXBMFYSA-N 1 2 338.415 1.849 20 30 EDEDLO Cc1n[nH]c([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000566783371 448557365 /nfs/dbraw/zinc/55/73/65/448557365.db2.gz ASAAUOQKEZEKBN-HNNXBMFYSA-N 1 2 338.415 1.849 20 30 EDEDLO Cc1n[nH]c([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000566783371 448557370 /nfs/dbraw/zinc/55/73/70/448557370.db2.gz ASAAUOQKEZEKBN-HNNXBMFYSA-N 1 2 338.415 1.849 20 30 EDEDLO Cc1nc([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000566783371 448557375 /nfs/dbraw/zinc/55/73/75/448557375.db2.gz ASAAUOQKEZEKBN-HNNXBMFYSA-N 1 2 338.415 1.849 20 30 EDEDLO Cc1nc([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000566783371 448557381 /nfs/dbraw/zinc/55/73/81/448557381.db2.gz ASAAUOQKEZEKBN-HNNXBMFYSA-N 1 2 338.415 1.849 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000566852425 448570578 /nfs/dbraw/zinc/57/05/78/448570578.db2.gz DSZGHAZVPZZXNG-GFCCVEGCSA-N 1 2 346.456 1.827 20 30 EDEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528470514 448541923 /nfs/dbraw/zinc/54/19/23/448541923.db2.gz IBNLNBAZXGUNBB-HZPDHXFCSA-N 1 2 331.416 1.144 20 30 EDEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528470514 448541928 /nfs/dbraw/zinc/54/19/28/448541928.db2.gz IBNLNBAZXGUNBB-HZPDHXFCSA-N 1 2 331.416 1.144 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000567215876 448638573 /nfs/dbraw/zinc/63/85/73/448638573.db2.gz HVQQOQZFFJDKRG-MSOLQXFVSA-N 1 2 345.443 1.662 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@@H](Nc2ccc(Cl)c(C#N)n2)C1=O ZINC000541190712 448669418 /nfs/dbraw/zinc/66/94/18/448669418.db2.gz VQKVWATWWBCVTA-GFCCVEGCSA-N 1 2 344.806 1.943 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCC(=O)Nc1cc(C)ccc1OC ZINC000579001346 448690723 /nfs/dbraw/zinc/69/07/23/448690723.db2.gz PRGQKQSMCMFSNK-ZDUSSCGKSA-N 1 2 332.404 1.340 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000573737601 448701114 /nfs/dbraw/zinc/70/11/14/448701114.db2.gz PSSAFXFOYCHJLX-GFCCVEGCSA-N 1 2 347.362 1.701 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000573737601 448701118 /nfs/dbraw/zinc/70/11/18/448701118.db2.gz PSSAFXFOYCHJLX-GFCCVEGCSA-N 1 2 347.362 1.701 20 30 EDEDLO Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149855 448709817 /nfs/dbraw/zinc/70/98/17/448709817.db2.gz YFCFXGDHZDKCHA-GOSISDBHSA-N 1 2 331.416 1.149 20 30 EDEDLO Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149855 448709821 /nfs/dbraw/zinc/70/98/21/448709821.db2.gz YFCFXGDHZDKCHA-GOSISDBHSA-N 1 2 331.416 1.149 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000592151282 448712004 /nfs/dbraw/zinc/71/20/04/448712004.db2.gz LHKYVAZFYIBDDG-ZBFHGGJFSA-N 1 2 337.782 1.935 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000592151282 448712006 /nfs/dbraw/zinc/71/20/06/448712006.db2.gz LHKYVAZFYIBDDG-ZBFHGGJFSA-N 1 2 337.782 1.935 20 30 EDEDLO N#CCC1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000543826800 448749391 /nfs/dbraw/zinc/74/93/91/448749391.db2.gz ALRKWGXKKOYXSD-UHFFFAOYSA-N 1 2 346.435 1.373 20 30 EDEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586860056 448827099 /nfs/dbraw/zinc/82/70/99/448827099.db2.gz QYEBORIXDQYPJB-UHFFFAOYSA-N 1 2 343.362 1.059 20 30 EDEDLO N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)cc2)c1N ZINC000587045237 448833327 /nfs/dbraw/zinc/83/33/27/448833327.db2.gz JIQNIDIFRJKEQX-CQSZACIVSA-N 1 2 347.382 1.267 20 30 EDEDLO N#CCC(=O)N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000568249436 448844912 /nfs/dbraw/zinc/84/49/12/448844912.db2.gz QFHBLBFIDLOHJN-UHFFFAOYSA-N 1 2 347.382 1.378 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000547345343 448871975 /nfs/dbraw/zinc/87/19/75/448871975.db2.gz PHQQLQRDJZBJAG-CQSZACIVSA-N 1 2 335.370 1.774 20 30 EDEDLO C[C@@H](NC[C@H](O)C[N@H+](C)CCC#N)c1noc(Cc2ccccc2)n1 ZINC000568501126 448879185 /nfs/dbraw/zinc/87/91/85/448879185.db2.gz PZGPWXREPGRUIV-ZBFHGGJFSA-N 1 2 343.431 1.517 20 30 EDEDLO C[C@@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1noc(Cc2ccccc2)n1 ZINC000568501126 448879188 /nfs/dbraw/zinc/87/91/88/448879188.db2.gz PZGPWXREPGRUIV-ZBFHGGJFSA-N 1 2 343.431 1.517 20 30 EDEDLO N#CC1(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC000580024948 448931893 /nfs/dbraw/zinc/93/18/93/448931893.db2.gz PQKAZOMSRHOUBI-CYBMUJFWSA-N 1 2 334.445 1.724 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC000581014961 448962850 /nfs/dbraw/zinc/96/28/50/448962850.db2.gz RPIWUCXIBQZHEU-QAPCUYQASA-N 1 2 331.416 1.357 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000581320526 448972647 /nfs/dbraw/zinc/97/26/47/448972647.db2.gz GYLOAZYKYHITRT-HNNXBMFYSA-N 1 2 325.453 1.028 20 30 EDEDLO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc(O)cc(C#N)c3)C2)CC1 ZINC000589180601 448983638 /nfs/dbraw/zinc/98/36/38/448983638.db2.gz REZBXBAMZMHPAX-OAHLLOKOSA-N 1 2 328.416 1.162 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000580317441 448945389 /nfs/dbraw/zinc/94/53/89/448945389.db2.gz YLKCBCMDCJXASK-AWEZNQCLSA-N 1 2 326.303 1.376 20 30 EDEDLO N#CCNC(=O)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595722826 449132344 /nfs/dbraw/zinc/13/23/44/449132344.db2.gz LIKGTZTYHCBTAT-UHFFFAOYSA-N 1 2 337.221 1.211 20 30 EDEDLO N#Cc1ncn(-c2ccccc2NC(=O)[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000589958237 449088702 /nfs/dbraw/zinc/08/87/02/449088702.db2.gz XIJVDUKRGMNHNX-GFCCVEGCSA-N 1 2 333.355 1.537 20 30 EDEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)COC ZINC000595639633 449093732 /nfs/dbraw/zinc/09/37/32/449093732.db2.gz VTDWXGZBDUOGHR-CYBMUJFWSA-N 1 2 342.417 1.891 20 30 EDEDLO C=CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)COC ZINC000595639633 449093735 /nfs/dbraw/zinc/09/37/35/449093735.db2.gz VTDWXGZBDUOGHR-CYBMUJFWSA-N 1 2 342.417 1.891 20 30 EDEDLO CC1(C)C[N@H+](CCC(=O)Nc2sccc2C#N)[C@@H]2COC[C@H]2O1 ZINC000593115203 449141418 /nfs/dbraw/zinc/14/14/18/449141418.db2.gz DPZPGVZBZJVKPM-CHWSQXEVSA-N 1 2 335.429 1.827 20 30 EDEDLO CC1(C)C[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H]2COC[C@H]2O1 ZINC000593115203 449141420 /nfs/dbraw/zinc/14/14/20/449141420.db2.gz DPZPGVZBZJVKPM-CHWSQXEVSA-N 1 2 335.429 1.827 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncnc4c3OCCN4)CC2)cc1 ZINC000590570125 449195962 /nfs/dbraw/zinc/19/59/62/449195962.db2.gz VLVJLGGAGOHBPH-UHFFFAOYSA-N 1 2 336.399 1.475 20 30 EDEDLO CN(CCCNC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000611173726 449199120 /nfs/dbraw/zinc/19/91/20/449199120.db2.gz IFTOSFLJKGVOQJ-UHFFFAOYSA-N 1 2 343.475 1.160 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCN(CCC#N)CC2)cc1OC ZINC000611174445 449201093 /nfs/dbraw/zinc/20/10/93/449201093.db2.gz FKQOKXPUICMUQA-AWEZNQCLSA-N 1 2 346.431 1.562 20 30 EDEDLO C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCN(CCC#N)CC1 ZINC000611176169 449201769 /nfs/dbraw/zinc/20/17/69/449201769.db2.gz VDSYKTWTCFTAHL-MRXNPFEDSA-N 1 2 326.444 1.491 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000590600490 449213075 /nfs/dbraw/zinc/21/30/75/449213075.db2.gz POWBDZSTLLSANU-AWEZNQCLSA-N 1 2 340.387 1.352 20 30 EDEDLO N#CCSCCC[N@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000595884638 449231089 /nfs/dbraw/zinc/23/10/89/449231089.db2.gz JFAZPUSHKIUXAH-UHFFFAOYSA-N 1 2 331.488 1.400 20 30 EDEDLO N#CCSCCC[N@@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000595884638 449231097 /nfs/dbraw/zinc/23/10/97/449231097.db2.gz JFAZPUSHKIUXAH-UHFFFAOYSA-N 1 2 331.488 1.400 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc2ccsc2[nH]1 ZINC000604538554 449248204 /nfs/dbraw/zinc/24/82/04/449248204.db2.gz XZFUFJWXUKPWLS-UHFFFAOYSA-N 1 2 332.429 1.917 20 30 EDEDLO N#Cc1cc(F)cc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000602052573 449303980 /nfs/dbraw/zinc/30/39/80/449303980.db2.gz JUTDGADYSNJWMW-OAHLLOKOSA-N 1 2 341.346 1.524 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N(C)[C@@H]3CCC[C@H]3C#N)ccc2n1C ZINC000602066373 449317030 /nfs/dbraw/zinc/31/70/30/449317030.db2.gz GVURLEVQXYQRGF-SWLSCSKDSA-N 1 2 339.399 1.971 20 30 EDEDLO COc1ccc(CCN2C(=O)C[C@H]([N@@H+]3CC[C@](C)(C#N)C3)C2=O)cc1 ZINC000596014989 449317674 /nfs/dbraw/zinc/31/76/74/449317674.db2.gz XZXSSTHWZJCALN-QFBILLFUSA-N 1 2 341.411 1.601 20 30 EDEDLO COc1ccc(CCN2C(=O)C[C@H]([N@H+]3CC[C@](C)(C#N)C3)C2=O)cc1 ZINC000596014989 449317677 /nfs/dbraw/zinc/31/76/77/449317677.db2.gz XZXSSTHWZJCALN-QFBILLFUSA-N 1 2 341.411 1.601 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000594056239 449341039 /nfs/dbraw/zinc/34/10/39/449341039.db2.gz SVFRDXSSEKBODF-HIFRSBDPSA-N 1 2 342.399 1.948 20 30 EDEDLO N#Cc1ccc(CC(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000598342364 449357112 /nfs/dbraw/zinc/35/71/12/449357112.db2.gz HRCDBCWEPDPHOM-UHFFFAOYSA-N 1 2 327.428 1.672 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600422274 449367358 /nfs/dbraw/zinc/36/73/58/449367358.db2.gz UILXJQFYMYRWEE-HNNXBMFYSA-N 1 2 347.415 1.173 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000600422274 449367360 /nfs/dbraw/zinc/36/73/60/449367360.db2.gz UILXJQFYMYRWEE-HNNXBMFYSA-N 1 2 347.415 1.173 20 30 EDEDLO C[C@H]1C[C@H](Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)CCO1 ZINC000596285262 449455648 /nfs/dbraw/zinc/45/56/48/449455648.db2.gz LETZKZRKLWRICL-LSDHHAIUSA-N 1 2 331.416 1.367 20 30 EDEDLO Cc1nc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)n(-c2ccc(C#N)cc2)n1 ZINC000598685416 449542623 /nfs/dbraw/zinc/54/26/23/449542623.db2.gz HRGPAUCYAGGXAI-AWEZNQCLSA-N 1 2 347.382 1.267 20 30 EDEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000602371050 449547285 /nfs/dbraw/zinc/54/72/85/449547285.db2.gz GFYCFFPXUBACIO-KRWDZBQOSA-N 1 2 328.416 1.563 20 30 EDEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000602371050 449547286 /nfs/dbraw/zinc/54/72/86/449547286.db2.gz GFYCFFPXUBACIO-KRWDZBQOSA-N 1 2 328.416 1.563 20 30 EDEDLO C[C@](O)(C[C@@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000600846106 449573749 /nfs/dbraw/zinc/57/37/49/449573749.db2.gz LWQFSKPWDBEWHC-UXHICEINSA-N 1 2 343.471 1.588 20 30 EDEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)[nH]1 ZINC000602432787 449582968 /nfs/dbraw/zinc/58/29/68/449582968.db2.gz HNBMYATULNLYTA-UHFFFAOYSA-N 1 2 339.399 1.780 20 30 EDEDLO CN1C(=O)CC[C@@H]1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596658239 449591468 /nfs/dbraw/zinc/59/14/68/449591468.db2.gz UZQBCRZQCWDMNF-QGZVFWFLSA-N 1 2 340.427 1.213 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000596685645 449604855 /nfs/dbraw/zinc/60/48/55/449604855.db2.gz BFYVDTSVVZANEP-KZNAEPCWSA-N 1 2 349.438 1.933 20 30 EDEDLO N#CCc1ccccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000601010057 449650990 /nfs/dbraw/zinc/65/09/90/449650990.db2.gz GSEJLAGJGZOTLO-SFHVURJKSA-N 1 2 345.468 1.690 20 30 EDEDLO C[N@@H+]1CCOC[C@@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000599160912 449771272 /nfs/dbraw/zinc/77/12/72/449771272.db2.gz LMYQBNXBMGSWKK-AWEZNQCLSA-N 1 2 339.443 2.226 20 30 EDEDLO C[N@H+]1CCOC[C@@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000599160912 449771276 /nfs/dbraw/zinc/77/12/76/449771276.db2.gz LMYQBNXBMGSWKK-AWEZNQCLSA-N 1 2 339.443 2.226 20 30 EDEDLO C=CCNC(=O)NC(=O)CN1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000614778524 449813308 /nfs/dbraw/zinc/81/33/08/449813308.db2.gz NPISVHGNFNDTRX-HNNXBMFYSA-N 1 2 345.447 1.448 20 30 EDEDLO N#CC1(CC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CCOCC1 ZINC000597109753 449819774 /nfs/dbraw/zinc/81/97/74/449819774.db2.gz HPLZSNSDSSGFOS-UHFFFAOYSA-N 1 2 348.472 1.888 20 30 EDEDLO N#CC1(CC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CCOCC1 ZINC000597109753 449819778 /nfs/dbraw/zinc/81/97/78/449819778.db2.gz HPLZSNSDSSGFOS-UHFFFAOYSA-N 1 2 348.472 1.888 20 30 EDEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCN(c3ccccc3C#N)CC1)CC2 ZINC000599253187 449833817 /nfs/dbraw/zinc/83/38/17/449833817.db2.gz KSYUYFAHZYSETL-MRXNPFEDSA-N 1 2 349.438 1.974 20 30 EDEDLO C[C@@H]1C[NH+](Cc2csc(-c3cnn(C)c3)n2)C[C@@H](C)N1CC#N ZINC000602854179 449861016 /nfs/dbraw/zinc/86/10/16/449861016.db2.gz AHXCYXNJOZJYRX-CHWSQXEVSA-N 1 2 330.461 1.962 20 30 EDEDLO COc1ccccc1CNC(=O)[C@H](C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856163 449864691 /nfs/dbraw/zinc/86/46/91/449864691.db2.gz JDIPISSNOXXKIQ-OAGGEKHMSA-N 1 2 344.459 1.618 20 30 EDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000602863069 449873489 /nfs/dbraw/zinc/87/34/89/449873489.db2.gz NNWRENGPZVDPMH-LSDHHAIUSA-N 1 2 334.464 1.375 20 30 EDEDLO COc1ccccc1N1CC[C@@H]([N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602865001 449875340 /nfs/dbraw/zinc/87/53/40/449875340.db2.gz RSFXZGRFXIODTG-HLLBOEOZSA-N 1 2 342.443 1.719 20 30 EDEDLO COc1ccccc1N1CC[C@@H]([N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O ZINC000602865001 449875345 /nfs/dbraw/zinc/87/53/45/449875345.db2.gz RSFXZGRFXIODTG-HLLBOEOZSA-N 1 2 342.443 1.719 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000602878796 449887135 /nfs/dbraw/zinc/88/71/35/449887135.db2.gz ATVZMAXPYUQZGC-MRXNPFEDSA-N 1 2 330.413 1.892 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000602878796 449887137 /nfs/dbraw/zinc/88/71/37/449887137.db2.gz ATVZMAXPYUQZGC-MRXNPFEDSA-N 1 2 330.413 1.892 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(C(=O)OC)cn1 ZINC000599272163 449847956 /nfs/dbraw/zinc/84/79/56/449847956.db2.gz QXNLAUDAKSXPKG-UHFFFAOYSA-N 1 2 340.383 1.783 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(C(=O)OC)cn1 ZINC000599272163 449847961 /nfs/dbraw/zinc/84/79/61/449847961.db2.gz QXNLAUDAKSXPKG-UHFFFAOYSA-N 1 2 340.383 1.783 20 30 EDEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3cnccn3)CC2)c1 ZINC000595301491 450016095 /nfs/dbraw/zinc/01/60/95/450016095.db2.gz FTGMJNOCQYJQOC-UHFFFAOYSA-N 1 2 337.383 1.830 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000603101738 450067675 /nfs/dbraw/zinc/06/76/75/450067675.db2.gz PHVPRERTAPXEHO-ZIAGYGMSSA-N 1 2 325.416 1.790 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 ZINC000609486285 450036923 /nfs/dbraw/zinc/03/69/23/450036923.db2.gz HKIMLTGAIWBCSL-ZIAGYGMSSA-N 1 2 337.468 1.165 20 30 EDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599580083 450081010 /nfs/dbraw/zinc/08/10/10/450081010.db2.gz GOCMZJFMTMZSJF-GDBMZVCRSA-N 1 2 330.384 1.793 20 30 EDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599580083 450081012 /nfs/dbraw/zinc/08/10/12/450081012.db2.gz GOCMZJFMTMZSJF-GDBMZVCRSA-N 1 2 330.384 1.793 20 30 EDEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000599582853 450083048 /nfs/dbraw/zinc/08/30/48/450083048.db2.gz RTNNGPREHUMEJN-JKSUJKDBSA-N 1 2 330.384 1.527 20 30 EDEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000599582853 450083050 /nfs/dbraw/zinc/08/30/50/450083050.db2.gz RTNNGPREHUMEJN-JKSUJKDBSA-N 1 2 330.384 1.527 20 30 EDEDLO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)C[C@@H](C)O1 ZINC000599685555 450153096 /nfs/dbraw/zinc/15/30/96/450153096.db2.gz GCNDHONLDRBGCS-HUUCEWRRSA-N 1 2 327.428 1.747 20 30 EDEDLO C[C@@H]1CN(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)C[C@@H](C)O1 ZINC000599685555 450153101 /nfs/dbraw/zinc/15/31/01/450153101.db2.gz GCNDHONLDRBGCS-HUUCEWRRSA-N 1 2 327.428 1.747 20 30 EDEDLO C[C@@]1(C#N)CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000595425833 450133116 /nfs/dbraw/zinc/13/31/16/450133116.db2.gz MEDKDGJGMBVSEN-IBGZPJMESA-N 1 2 342.443 1.964 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000595432618 450139859 /nfs/dbraw/zinc/13/98/59/450139859.db2.gz SXXNLQGMUIIDDK-NEPJUHHUSA-N 1 2 334.424 1.055 20 30 EDEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)Nc2sccc2C#N)n1 ZINC000595525784 450208059 /nfs/dbraw/zinc/20/80/59/450208059.db2.gz HUEIEPLOTQGWAM-UHFFFAOYSA-N 1 2 331.401 1.887 20 30 EDEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N(CCC#N)CCC#N)C1 ZINC000603285308 450210847 /nfs/dbraw/zinc/21/08/47/450210847.db2.gz FKQZPEQFJHUZCU-UHFFFAOYSA-N 1 2 332.429 1.493 20 30 EDEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N(CCC#N)CCC#N)C1 ZINC000603285308 450210852 /nfs/dbraw/zinc/21/08/52/450210852.db2.gz FKQZPEQFJHUZCU-UHFFFAOYSA-N 1 2 332.429 1.493 20 30 EDEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000615800412 450245845 /nfs/dbraw/zinc/24/58/45/450245845.db2.gz GPJTXHDJTVZUKY-FZMZJTMJSA-N 1 2 333.354 1.981 20 30 EDEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000615800412 450245850 /nfs/dbraw/zinc/24/58/50/450245850.db2.gz GPJTXHDJTVZUKY-FZMZJTMJSA-N 1 2 333.354 1.981 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)n1 ZINC000610561614 450261498 /nfs/dbraw/zinc/26/14/98/450261498.db2.gz YWYUMUXKRQATGS-OAHLLOKOSA-N 1 2 349.398 2.131 20 30 EDEDLO CCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647425 450297842 /nfs/dbraw/zinc/29/78/42/450297842.db2.gz NSPJSOBVIFHDQZ-PBHICJAKSA-N 1 2 332.423 1.923 20 30 EDEDLO C=CCOCCCNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624369700 450814452 /nfs/dbraw/zinc/81/44/52/450814452.db2.gz MXNCNCXUTISNCF-KRWDZBQOSA-N 1 2 348.447 1.174 20 30 EDEDLO C=CCOCCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624369700 450814457 /nfs/dbraw/zinc/81/44/57/450814457.db2.gz MXNCNCXUTISNCF-KRWDZBQOSA-N 1 2 348.447 1.174 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)n1cc(C[NH+]2CCSCC2)nn1 ZINC000640921288 451691395 /nfs/dbraw/zinc/69/13/95/451691395.db2.gz SVFRGNRCGOFKRZ-CQSZACIVSA-N 1 2 335.477 1.589 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)c2ccc(S(C)(=O)=O)cc2)nn1 ZINC000641134033 451758700 /nfs/dbraw/zinc/75/87/00/451758700.db2.gz HZAORXHWHNVKCE-CYBMUJFWSA-N 1 2 332.429 1.404 20 30 EDEDLO COCCOCC[NH+]1CCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000651485906 451859727 /nfs/dbraw/zinc/85/97/27/451859727.db2.gz NEDQQWFXBGPCNH-UHFFFAOYSA-N 1 2 331.416 1.546 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)nn1 ZINC000653603335 452035525 /nfs/dbraw/zinc/03/55/25/452035525.db2.gz IKAIPURNKJEAGG-CYBMUJFWSA-N 1 2 349.460 1.613 20 30 EDEDLO C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000647371270 452194295 /nfs/dbraw/zinc/19/42/95/452194295.db2.gz NQZPDYVUARYMKB-HUUCEWRRSA-N 1 2 335.452 1.125 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000666148541 452642336 /nfs/dbraw/zinc/64/23/36/452642336.db2.gz FXGNQFTXXZGAGO-INIZCTEOSA-N 1 2 346.431 1.005 20 30 EDEDLO C=CCCNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000658387847 452906118 /nfs/dbraw/zinc/90/61/18/452906118.db2.gz HAWDBSINVDKLAF-AWEZNQCLSA-N 1 2 331.416 1.711 20 30 EDEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000665390889 453677902 /nfs/dbraw/zinc/67/79/02/453677902.db2.gz RRPVPNUUDAQZAS-SJORKVTESA-N 1 2 339.480 1.457 20 30 EDEDLO C=CCN(C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@H](C)COC ZINC000663537336 453818060 /nfs/dbraw/zinc/81/80/60/453818060.db2.gz AKAUKDWXTPKMIH-OAHLLOKOSA-N 1 2 348.447 1.651 20 30 EDEDLO C=C(C)Cn1c(COC)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000670213632 486684932 /nfs/dbraw/zinc/68/49/32/486684932.db2.gz QVACTWOXJPFUHI-UHFFFAOYSA-N 1 2 342.447 1.718 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3nccc(C(C)C)n3)CC2)C1=O ZINC000685003519 487212741 /nfs/dbraw/zinc/21/27/41/487212741.db2.gz KXCFAVZSHJQZDD-MRXNPFEDSA-N 1 2 329.448 1.509 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000668552469 485883919 /nfs/dbraw/zinc/88/39/19/485883919.db2.gz MVRGIEFXVZPNEA-OAHLLOKOSA-N 1 2 344.459 1.693 20 30 EDEDLO COC(=O)c1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078687671 534262489 /nfs/dbraw/zinc/26/24/89/534262489.db2.gz WULHBTOOSYFRLN-UHFFFAOYSA-N 1 2 331.416 1.521 20 30 EDEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245722359 536459029 /nfs/dbraw/zinc/45/90/29/536459029.db2.gz WJRSYWQWIVOOMW-HUUCEWRRSA-N 1 2 343.399 1.933 20 30 EDEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000245722359 536459031 /nfs/dbraw/zinc/45/90/31/536459031.db2.gz WJRSYWQWIVOOMW-HUUCEWRRSA-N 1 2 343.399 1.933 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000124038154 526634465 /nfs/dbraw/zinc/63/44/65/526634465.db2.gz VPVSANPXFVZCEH-AWEZNQCLSA-N 1 2 348.422 1.073 20 30 EDEDLO C#CCSCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000153539650 527145067 /nfs/dbraw/zinc/14/50/67/527145067.db2.gz MAHFCGNIGKBNNC-QGZVFWFLSA-N 1 2 347.484 1.726 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000091076755 527627945 /nfs/dbraw/zinc/62/79/45/527627945.db2.gz QSFSOSQCZQVPEH-QGZVFWFLSA-N 1 2 328.460 1.788 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](Cc2cccnc2)CC1 ZINC000091076755 527627951 /nfs/dbraw/zinc/62/79/51/527627951.db2.gz QSFSOSQCZQVPEH-QGZVFWFLSA-N 1 2 328.460 1.788 20 30 EDEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000092843990 528370327 /nfs/dbraw/zinc/37/03/27/528370327.db2.gz KSEKPMZGQTYLCE-OAHLLOKOSA-N 1 2 326.849 1.705 20 30 EDEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000092843990 528370334 /nfs/dbraw/zinc/37/03/34/528370334.db2.gz KSEKPMZGQTYLCE-OAHLLOKOSA-N 1 2 326.849 1.705 20 30 EDEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1 ZINC000129372895 528557219 /nfs/dbraw/zinc/55/72/19/528557219.db2.gz WHTRIGSJWCWNBB-UYCCVFBRSA-N 1 2 340.445 1.928 20 30 EDEDLO CC(C)Cn1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cn1 ZINC000183411058 528708961 /nfs/dbraw/zinc/70/89/61/528708961.db2.gz LVUCGGLBDKJCTJ-OAHLLOKOSA-N 1 2 339.447 1.911 20 30 EDEDLO CC(C)Cn1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cn1 ZINC000183411058 528708966 /nfs/dbraw/zinc/70/89/66/528708966.db2.gz LVUCGGLBDKJCTJ-OAHLLOKOSA-N 1 2 339.447 1.911 20 30 EDEDLO CC(C)NC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000172395146 529116066 /nfs/dbraw/zinc/11/60/66/529116066.db2.gz LMNZLCXNKSSYNB-CQSZACIVSA-N 1 2 328.416 1.288 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247371573 536884257 /nfs/dbraw/zinc/88/42/57/536884257.db2.gz PELJXMWAKFXOBQ-QAPCUYQASA-N 1 2 332.400 1.825 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247371573 536884260 /nfs/dbraw/zinc/88/42/60/536884260.db2.gz PELJXMWAKFXOBQ-QAPCUYQASA-N 1 2 332.400 1.825 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000741144357 579398884 /nfs/dbraw/zinc/39/88/84/579398884.db2.gz WOVHFGDYWJVKLZ-QHCPKHFHSA-N 1 2 333.457 1.014 20 30 EDEDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CC#N)c1ccccc1 ZINC000741147742 579399373 /nfs/dbraw/zinc/39/93/73/579399373.db2.gz LPTLFPPQHRZKQF-INIZCTEOSA-N 1 2 329.400 1.961 20 30 EDEDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N(CC#N)c1ccccc1 ZINC000741147742 579399374 /nfs/dbraw/zinc/39/93/74/579399374.db2.gz LPTLFPPQHRZKQF-INIZCTEOSA-N 1 2 329.400 1.961 20 30 EDEDLO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1CCNC1=O ZINC000759434593 580005730 /nfs/dbraw/zinc/00/57/30/580005730.db2.gz DCHWSRVYKRBDIT-SWLSCSKDSA-N 1 2 335.367 1.044 20 30 EDEDLO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)[C@@H]1CCNC1=O ZINC000759434593 580005731 /nfs/dbraw/zinc/00/57/31/580005731.db2.gz DCHWSRVYKRBDIT-SWLSCSKDSA-N 1 2 335.367 1.044 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)cs2)CC1 ZINC000760275711 580026881 /nfs/dbraw/zinc/02/68/81/580026881.db2.gz FWZNORPKVVHDAS-UHFFFAOYSA-N 1 2 339.848 1.299 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)cs2)CC1 ZINC000760275711 580026882 /nfs/dbraw/zinc/02/68/82/580026882.db2.gz FWZNORPKVVHDAS-UHFFFAOYSA-N 1 2 339.848 1.299 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C(F)F)cc2)CC1 ZINC000733149841 578744994 /nfs/dbraw/zinc/74/49/94/578744994.db2.gz UKZAZFQSAPEOJU-UHFFFAOYSA-N 1 2 349.381 1.522 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C(F)F)cc2)CC1 ZINC000733149841 578744996 /nfs/dbraw/zinc/74/49/96/578744996.db2.gz UKZAZFQSAPEOJU-UHFFFAOYSA-N 1 2 349.381 1.522 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCN(CCC#N)CC1 ZINC000760943168 580042091 /nfs/dbraw/zinc/04/20/91/580042091.db2.gz JBZKTGWJWOUHHI-GFCCVEGCSA-N 1 2 342.403 1.127 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC000761036231 580045088 /nfs/dbraw/zinc/04/50/88/580045088.db2.gz CIIJHUIYBOQGSI-INIZCTEOSA-N 1 2 339.436 1.362 20 30 EDEDLO NC(=[NH+]OCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000737729844 579126299 /nfs/dbraw/zinc/12/62/99/579126299.db2.gz DEARNMQCTNAGPH-UHFFFAOYSA-N 1 2 342.334 1.722 20 30 EDEDLO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000744398597 579509450 /nfs/dbraw/zinc/50/94/50/579509450.db2.gz VAAYFGADOKQRTF-CZUORRHYSA-N 1 2 326.400 1.655 20 30 EDEDLO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000744398597 579509451 /nfs/dbraw/zinc/50/94/51/579509451.db2.gz VAAYFGADOKQRTF-CZUORRHYSA-N 1 2 326.400 1.655 20 30 EDEDLO CN(C)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C#N)CC3)C2=O)cc1 ZINC000747034735 579624463 /nfs/dbraw/zinc/62/44/63/579624463.db2.gz WZBYJDBUCVHXNB-MRXNPFEDSA-N 1 2 326.400 1.620 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)Oc3ccc(C)cc32)CC1 ZINC000748823571 579702370 /nfs/dbraw/zinc/70/23/70/579702370.db2.gz ARWRPMFDXZJYPM-INIZCTEOSA-N 1 2 327.428 1.360 20 30 EDEDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000749465338 579727983 /nfs/dbraw/zinc/72/79/83/579727983.db2.gz ARYDVZICVSVBKM-ZDUSSCGKSA-N 1 2 340.383 1.448 20 30 EDEDLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000749465338 579727985 /nfs/dbraw/zinc/72/79/85/579727985.db2.gz ARYDVZICVSVBKM-ZDUSSCGKSA-N 1 2 340.383 1.448 20 30 EDEDLO N#Cc1cccn(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1=O ZINC000750608629 579772671 /nfs/dbraw/zinc/77/26/71/579772671.db2.gz ZRJBHAPYQWEQSI-UHFFFAOYSA-N 1 2 336.395 1.572 20 30 EDEDLO C=C(C)C[N@@H+](C)CN1C(=O)C(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000777959211 580453519 /nfs/dbraw/zinc/45/35/19/580453519.db2.gz AYIJLJMCQBBYIQ-UHFFFAOYSA-N 1 2 345.399 1.494 20 30 EDEDLO C=C(C)C[N@H+](C)CN1C(=O)C(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000777959211 580453520 /nfs/dbraw/zinc/45/35/20/580453520.db2.gz AYIJLJMCQBBYIQ-UHFFFAOYSA-N 1 2 345.399 1.494 20 30 EDEDLO N#Cc1ccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)nc1 ZINC000754308040 579901006 /nfs/dbraw/zinc/90/10/06/579901006.db2.gz VQSNDLQDLSROFO-UHFFFAOYSA-N 1 2 336.395 1.715 20 30 EDEDLO CCn1cc[nH+]c1CN=Nc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000755646884 579931732 /nfs/dbraw/zinc/93/17/32/579931732.db2.gz ZWWLFJHDAFATAL-UHFFFAOYSA-N 1 2 348.432 1.529 20 30 EDEDLO C#CCNC(=S)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000758243936 579978264 /nfs/dbraw/zinc/97/82/64/579978264.db2.gz QZYQTSUVJSMDRP-UHFFFAOYSA-N 1 2 333.457 1.199 20 30 EDEDLO N#Cc1ccc2ncc(CN=Nc3ccc(-n4cc[nH+]c4)nn3)n2c1 ZINC000761858016 580062661 /nfs/dbraw/zinc/06/26/61/580062661.db2.gz QOFYFQYKTJKFFZ-UHFFFAOYSA-N 1 2 329.327 1.628 20 30 EDEDLO C#CCNC(=S)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000765522163 580144792 /nfs/dbraw/zinc/14/47/92/580144792.db2.gz YWVUNGBMJYKJHC-CABCVRRESA-N 1 2 337.876 1.809 20 30 EDEDLO C#CCNC(=S)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000765522163 580144793 /nfs/dbraw/zinc/14/47/93/580144793.db2.gz YWVUNGBMJYKJHC-CABCVRRESA-N 1 2 337.876 1.809 20 30 EDEDLO C[C@H]1COCCC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000772819805 580321287 /nfs/dbraw/zinc/32/12/87/580321287.db2.gz DMMDSNUKHCRTEH-AWEZNQCLSA-N 1 2 342.399 1.391 20 30 EDEDLO C[C@H]1COCCC[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000772819805 580321288 /nfs/dbraw/zinc/32/12/88/580321288.db2.gz DMMDSNUKHCRTEH-AWEZNQCLSA-N 1 2 342.399 1.391 20 30 EDEDLO C#C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)[C@H]1CCCO1 ZINC000773792324 580346329 /nfs/dbraw/zinc/34/63/29/580346329.db2.gz UDJOUQGYBBWXDM-XJKSGUPXSA-N 1 2 340.383 1.117 20 30 EDEDLO C#C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@@H]1CCCO1 ZINC000775683868 580397140 /nfs/dbraw/zinc/39/71/40/580397140.db2.gz SUUFRFOCNYVZOY-ZBFHGGJFSA-N 1 2 344.415 1.529 20 30 EDEDLO C[C@H]1C[NH+]=C(NN=Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000779795210 580497421 /nfs/dbraw/zinc/49/74/21/580497421.db2.gz QADJWJKFQIEUCC-VIFPVBQESA-N 1 2 330.373 1.990 20 30 EDEDLO CC1(C)C[C@]2(NC(=O)N(C[NH+]3CCC(C)(C#N)CC3)C2=O)C(C)(C)O1 ZINC000779880288 580500738 /nfs/dbraw/zinc/50/07/38/580500738.db2.gz ZKBYDSCBQLWAJY-GOSISDBHSA-N 1 2 348.447 1.838 20 30 EDEDLO CC(Cc1ccccc1F)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000780195185 580515674 /nfs/dbraw/zinc/51/56/74/580515674.db2.gz RXUMORWECVLGGP-UHFFFAOYSA-N 1 2 338.452 1.540 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000782302308 580571452 /nfs/dbraw/zinc/57/14/52/580571452.db2.gz LMHHMNAJVYEBRH-SUMWQHHRSA-N 1 2 340.420 1.512 20 30 EDEDLO O=c1nc(NN=Cc2cc(-n3cc[nH+]c3)cs2)nc2[nH][nH]cc1-2 ZINC000783841963 580607407 /nfs/dbraw/zinc/60/74/07/580607407.db2.gz IAPSCIMKYDIUPQ-UHFFFAOYSA-N 1 2 326.345 1.125 20 30 EDEDLO N#CC1(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000784335459 580618780 /nfs/dbraw/zinc/61/87/80/580618780.db2.gz UAQGYWZKYUKSTQ-UHFFFAOYSA-N 1 2 343.387 1.279 20 30 EDEDLO C#CCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000784401663 580620352 /nfs/dbraw/zinc/62/03/52/580620352.db2.gz PGBOSZHSNAZSEV-HOTGVXAUSA-N 1 2 337.370 1.659 20 30 EDEDLO C#CCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000784401663 580620353 /nfs/dbraw/zinc/62/03/53/580620353.db2.gz PGBOSZHSNAZSEV-HOTGVXAUSA-N 1 2 337.370 1.659 20 30 EDEDLO C#CCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000784550130 580623683 /nfs/dbraw/zinc/62/36/83/580623683.db2.gz UXALCWKXTBRUAU-INIZCTEOSA-N 1 2 342.399 1.467 20 30 EDEDLO COc1ccc(C[NH2+]Cc2cn(Cc3cccnc3)nn2)cc1C#N ZINC000784587049 580624488 /nfs/dbraw/zinc/62/44/88/580624488.db2.gz JLVNMLRGMKERGB-UHFFFAOYSA-N 1 2 334.383 1.891 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000785639414 580648374 /nfs/dbraw/zinc/64/83/74/580648374.db2.gz HZNPVFMTALKWFB-HNNXBMFYSA-N 1 2 342.399 1.279 20 30 EDEDLO C=CCN(C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C(C)C ZINC000786496729 580672222 /nfs/dbraw/zinc/67/22/22/580672222.db2.gz JVSAJIGSGYADEK-UHFFFAOYSA-N 1 2 330.432 1.721 20 30 EDEDLO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1nnnn1C1CC1 ZINC000790556269 580772943 /nfs/dbraw/zinc/77/29/43/580772943.db2.gz ZASDJEOWIICXMH-JOYOIKCWSA-N 1 2 343.416 1.397 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)CC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000791742392 580800858 /nfs/dbraw/zinc/80/08/58/580800858.db2.gz AJRPICXXWVJEJK-UHFFFAOYSA-N 1 2 345.380 1.194 20 30 EDEDLO N#CCCNC(=O)C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000792485403 580821034 /nfs/dbraw/zinc/82/10/34/580821034.db2.gz ZRVMTHQIAYXYAU-UHFFFAOYSA-N 1 2 346.250 1.335 20 30 EDEDLO N#CCCNC(=O)C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000792485403 580821033 /nfs/dbraw/zinc/82/10/33/580821033.db2.gz ZRVMTHQIAYXYAU-UHFFFAOYSA-N 1 2 346.250 1.335 20 30 EDEDLO Cc1cc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)ncn1 ZINC000793836444 580857406 /nfs/dbraw/zinc/85/74/06/580857406.db2.gz WPWTWVOQKXBXNG-UHFFFAOYSA-N 1 2 341.415 1.454 20 30 EDEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1=S ZINC000794629596 580900535 /nfs/dbraw/zinc/90/05/35/580900535.db2.gz XWHWDEXCBVOJNA-CYBMUJFWSA-N 1 2 348.476 1.309 20 30 EDEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1=S ZINC000794629596 580900536 /nfs/dbraw/zinc/90/05/36/580900536.db2.gz XWHWDEXCBVOJNA-CYBMUJFWSA-N 1 2 348.476 1.309 20 30 EDEDLO COC(=O)c1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c[nH]1 ZINC000798274311 580992791 /nfs/dbraw/zinc/99/27/91/580992791.db2.gz CFDCHNSJCUZUTL-TZMCWYRMSA-N 1 2 348.403 1.650 20 30 EDEDLO C#C[C@H](NC(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@@H]1CCCO1 ZINC000798459827 580998160 /nfs/dbraw/zinc/99/81/60/580998160.db2.gz LZTIJHMCOCXYFL-RDJZCZTQSA-N 1 2 328.416 1.402 20 30 EDEDLO N#Cc1cnc2ccccc2c1N1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799119047 581017207 /nfs/dbraw/zinc/01/72/07/581017207.db2.gz GHATZCJLQQXOTJ-MRXNPFEDSA-N 1 2 349.394 1.034 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@H](c3ccccc3C)CC2=O)C1=O ZINC000799142073 581018580 /nfs/dbraw/zinc/01/85/80/581018580.db2.gz JUUMYLQFIDOGRO-AEFFLSMTSA-N 1 2 341.455 1.987 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@H](c3ccccc3C)CC2=O)C1=O ZINC000799142073 581018581 /nfs/dbraw/zinc/01/85/81/581018581.db2.gz JUUMYLQFIDOGRO-AEFFLSMTSA-N 1 2 341.455 1.987 20 30 EDEDLO C[C@H](C#N)OCCOC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000801842165 581086314 /nfs/dbraw/zinc/08/63/14/581086314.db2.gz HQGYLXUXGQLBCL-WBVHZDCISA-N 1 2 332.400 1.749 20 30 EDEDLO C[C@H](C#N)OCCOC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000801842165 581086315 /nfs/dbraw/zinc/08/63/15/581086315.db2.gz HQGYLXUXGQLBCL-WBVHZDCISA-N 1 2 332.400 1.749 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000801910633 581087728 /nfs/dbraw/zinc/08/77/28/581087728.db2.gz NUEMVWNZEZSFHY-ZDUSSCGKSA-N 1 2 341.408 1.061 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000801932664 581088483 /nfs/dbraw/zinc/08/84/83/581088483.db2.gz UCHHCGMLVMKGMG-BRWVUGGUSA-N 1 2 336.480 1.228 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)COc2cccc(C#N)c2)C[N@@H+]1C ZINC000893566866 590965792 /nfs/dbraw/zinc/96/57/92/590965792.db2.gz OSWLRBAYALGCJM-PBHICJAKSA-N 1 2 332.356 1.116 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)COc2cccc(C#N)c2)C[N@H+]1C ZINC000893566866 590965793 /nfs/dbraw/zinc/96/57/93/590965793.db2.gz OSWLRBAYALGCJM-PBHICJAKSA-N 1 2 332.356 1.116 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000891606915 591147578 /nfs/dbraw/zinc/14/75/78/591147578.db2.gz QMQXXSAJLRAGAM-CQSZACIVSA-N 1 2 329.400 1.156 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)ccc2OC)C1 ZINC000891606915 591147579 /nfs/dbraw/zinc/14/75/79/591147579.db2.gz QMQXXSAJLRAGAM-CQSZACIVSA-N 1 2 329.400 1.156 20 30 EDEDLO C#CC1(O)CN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2F)C1 ZINC000898724780 591490108 /nfs/dbraw/zinc/49/01/08/591490108.db2.gz AVAZUXOKKWSFOA-AWEZNQCLSA-N 1 2 346.337 1.177 20 30 EDEDLO O=C1[C@@H]([NH2+]Cc2ccccc2I)CCCN1O ZINC000895164675 591630692 /nfs/dbraw/zinc/63/06/92/591630692.db2.gz GEDUOLWFBKDNDC-NSHDSACASA-N 1 2 346.168 1.761 20 30 EDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899064097 591667995 /nfs/dbraw/zinc/66/79/95/591667995.db2.gz RAQXCZKIKCJOGV-HNNXBMFYSA-N 1 2 343.427 1.302 20 30 EDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899064097 591667998 /nfs/dbraw/zinc/66/79/98/591667998.db2.gz RAQXCZKIKCJOGV-HNNXBMFYSA-N 1 2 343.427 1.302 20 30 EDEDLO Cc1ccc2[nH+]cc(CN3C[C@@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2c1 ZINC000897061710 591729084 /nfs/dbraw/zinc/72/90/84/591729084.db2.gz XJKHZENALKTLIF-CJNGLKHVSA-N 1 2 330.413 1.013 20 30 EDEDLO O=C(c1cccc(C#CCO)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000900035885 591877029 /nfs/dbraw/zinc/87/70/29/591877029.db2.gz QPZMOJXGUMEOSV-UHFFFAOYSA-N 1 2 335.407 1.383 20 30 EDEDLO C#CC[NH+]1CCN(CN2CCN(Cc3cccc(Cl)c3)C2=O)CC1 ZINC000902042252 591901321 /nfs/dbraw/zinc/90/13/21/591901321.db2.gz SLCFGSYNRMDNPY-UHFFFAOYSA-N 1 2 346.862 1.786 20 30 EDEDLO N#C[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000902917398 592081121 /nfs/dbraw/zinc/08/11/21/592081121.db2.gz RDKNVXMWNPZCGY-CQSZACIVSA-N 1 2 329.404 1.363 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000906683265 592264597 /nfs/dbraw/zinc/26/45/97/592264597.db2.gz KLVSSKRGKYCHBK-INIZCTEOSA-N 1 2 328.460 1.470 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cn1nc(C(F)F)cc1C(F)F ZINC000905496024 592553671 /nfs/dbraw/zinc/55/36/71/592553671.db2.gz OOBOUMDMBOJEJZ-CYBMUJFWSA-N 1 2 335.305 1.718 20 30 EDEDLO N#CCC1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000907290167 592586979 /nfs/dbraw/zinc/58/69/79/592586979.db2.gz RSDHJCIVSUKOLD-UHFFFAOYSA-N 1 2 330.432 1.586 20 30 EDEDLO CC(C)(C#N)CS(=O)(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000907344427 592597518 /nfs/dbraw/zinc/59/75/18/592597518.db2.gz PNRGUZONETWNPC-UHFFFAOYSA-N 1 2 336.461 1.121 20 30 EDEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1=S ZINC000905707562 592618067 /nfs/dbraw/zinc/61/80/67/592618067.db2.gz JYEQMOUSZLUKKT-BXUZGUMPSA-N 1 2 338.437 1.163 20 30 EDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1=S ZINC000905707562 592618069 /nfs/dbraw/zinc/61/80/69/592618069.db2.gz JYEQMOUSZLUKKT-BXUZGUMPSA-N 1 2 338.437 1.163 20 30 EDEDLO C=CC[C@H]([NH2+]C[C@H](c1ccc(OC)cc1)N1CCOCC1)C(=O)OC ZINC000905747119 592628123 /nfs/dbraw/zinc/62/81/23/592628123.db2.gz JJRGMDSHYWNWRL-ZWKOTPCHSA-N 1 2 348.443 1.776 20 30 EDEDLO C=CC[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(=O)OC ZINC000905756108 592637630 /nfs/dbraw/zinc/63/76/30/592637630.db2.gz PIJOXSKUPOLQTI-WBVHZDCISA-N 1 2 345.443 1.596 20 30 EDEDLO C#CCNC(=O)[C@H](C)Nc1cc2n(n1)CC[N@H+](Cc1ccccc1)C2 ZINC000905812639 592644725 /nfs/dbraw/zinc/64/47/25/592644725.db2.gz JASXWSHYHXLLLL-HNNXBMFYSA-N 1 2 337.427 1.449 20 30 EDEDLO C#CCNC(=O)[C@H](C)Nc1cc2n(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000905812639 592644728 /nfs/dbraw/zinc/64/47/28/592644728.db2.gz JASXWSHYHXLLLL-HNNXBMFYSA-N 1 2 337.427 1.449 20 30 EDEDLO N#Cc1ccccc1N1CC[NH+](CC[S@](=O)C(F)(F)F)CC1 ZINC000905925108 592684756 /nfs/dbraw/zinc/68/47/56/592684756.db2.gz AAHBUBMLQCWLCT-QFIPXVFZSA-N 1 2 331.363 1.949 20 30 EDEDLO C=CC[N@H+](Cc1cn(Cc2ncon2)nn1)Cc1ccc(OC)cc1 ZINC000906258437 592776173 /nfs/dbraw/zinc/77/61/73/592776173.db2.gz LOXFCTAAZIRDIY-UHFFFAOYSA-N 1 2 340.387 1.906 20 30 EDEDLO C=CC[N@@H+](Cc1cn(Cc2ncon2)nn1)Cc1ccc(OC)cc1 ZINC000906258437 592776175 /nfs/dbraw/zinc/77/61/75/592776175.db2.gz LOXFCTAAZIRDIY-UHFFFAOYSA-N 1 2 340.387 1.906 20 30 EDEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CC[C@H](OCC)C1 ZINC000909296887 592793806 /nfs/dbraw/zinc/79/38/06/592793806.db2.gz KXTFBFCLIORVJS-JYJNAYRXSA-N 1 2 349.479 1.861 20 30 EDEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CC[C@H](OCC)C1 ZINC000909296887 592793807 /nfs/dbraw/zinc/79/38/07/592793807.db2.gz KXTFBFCLIORVJS-JYJNAYRXSA-N 1 2 349.479 1.861 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCc3c([nH+]cn3CC)C2)C1 ZINC000910892007 592901007 /nfs/dbraw/zinc/90/10/07/592901007.db2.gz NSWLXAABFQBWIJ-CQSZACIVSA-N 1 2 330.432 1.602 20 30 EDEDLO C#CC[N@H+](C)CCCNC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000838488343 593178715 /nfs/dbraw/zinc/17/87/15/593178715.db2.gz IUNJMYLNFXBRQF-UHFFFAOYSA-N 1 2 326.404 1.226 20 30 EDEDLO C#CC[N@@H+](C)CCCNC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000838488343 593178716 /nfs/dbraw/zinc/17/87/16/593178716.db2.gz IUNJMYLNFXBRQF-UHFFFAOYSA-N 1 2 326.404 1.226 20 30 EDEDLO C#CC[N@H+](C)CCCNC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000838488343 593178718 /nfs/dbraw/zinc/17/87/18/593178718.db2.gz IUNJMYLNFXBRQF-UHFFFAOYSA-N 1 2 326.404 1.226 20 30 EDEDLO C#CC[N@@H+](C)CCCNC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000838488343 593178719 /nfs/dbraw/zinc/17/87/19/593178719.db2.gz IUNJMYLNFXBRQF-UHFFFAOYSA-N 1 2 326.404 1.226 20 30 EDEDLO C[C@H](c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1)n1cnc(C#N)n1 ZINC000809273859 593328303 /nfs/dbraw/zinc/32/83/03/593328303.db2.gz YNMCHABJQKBGLY-SNVBAGLBSA-N 1 2 333.315 1.390 20 30 EDEDLO Cc1cc(C(N)=[NH+]OCc2nnn(CC(F)(F)F)n2)ccc1F ZINC000809995166 593374234 /nfs/dbraw/zinc/37/42/34/593374234.db2.gz MSBIVPIWXRLCSF-UHFFFAOYSA-N 1 2 332.261 1.520 20 30 EDEDLO CCN(C[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1)CC(F)(F)F ZINC000758230495 593397568 /nfs/dbraw/zinc/39/75/68/593397568.db2.gz JTKMFDIEZOHPDD-ZDUSSCGKSA-N 1 2 342.365 1.884 20 30 EDEDLO CCN(C[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1)CC(F)(F)F ZINC000758230495 593397570 /nfs/dbraw/zinc/39/75/70/593397570.db2.gz JTKMFDIEZOHPDD-ZDUSSCGKSA-N 1 2 342.365 1.884 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CN3C[C@@H]4CCC[C@@H]4C3=O)CC2)n1 ZINC000840046518 593416115 /nfs/dbraw/zinc/41/61/15/593416115.db2.gz BBGAXSHFVXYHKY-HOCLYGCPSA-N 1 2 325.416 1.291 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000811992119 593488019 /nfs/dbraw/zinc/48/80/19/593488019.db2.gz YEIXNKIPAXAVQJ-ZWKOTPCHSA-N 1 2 329.444 1.989 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000811992119 593488020 /nfs/dbraw/zinc/48/80/20/593488020.db2.gz YEIXNKIPAXAVQJ-ZWKOTPCHSA-N 1 2 329.444 1.989 20 30 EDEDLO Cn1c2ccc(C[NH+]3CCN(c4cnccc4C#N)CC3)cc2oc1=O ZINC000816616933 593535319 /nfs/dbraw/zinc/53/53/19/593535319.db2.gz JXZCDEYFYZZCMK-UHFFFAOYSA-N 1 2 349.394 1.720 20 30 EDEDLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000817375685 593598497 /nfs/dbraw/zinc/59/84/97/593598497.db2.gz QTWJGQGOYKAOLP-ZFWWWQNUSA-N 1 2 331.416 1.977 20 30 EDEDLO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000817375685 593598498 /nfs/dbraw/zinc/59/84/98/593598498.db2.gz QTWJGQGOYKAOLP-ZFWWWQNUSA-N 1 2 331.416 1.977 20 30 EDEDLO C[N@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)CC(C)(C)C#N ZINC000814667478 593600196 /nfs/dbraw/zinc/60/01/96/593600196.db2.gz ROICILLRFVXRSV-UHFFFAOYSA-N 1 2 342.443 1.911 20 30 EDEDLO C[N@@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)CC(C)(C)C#N ZINC000814667478 593600197 /nfs/dbraw/zinc/60/01/97/593600197.db2.gz ROICILLRFVXRSV-UHFFFAOYSA-N 1 2 342.443 1.911 20 30 EDEDLO C#CCn1cc(CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cn1 ZINC000819538377 593758192 /nfs/dbraw/zinc/75/81/92/593758192.db2.gz UYWBGSJPAQMLMI-UHFFFAOYSA-N 1 2 343.337 1.769 20 30 EDEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)c1ccc(F)cc1 ZINC000820464846 593820379 /nfs/dbraw/zinc/82/03/79/593820379.db2.gz WOTNZGDGEITZRA-KEYYUXOJSA-N 1 2 333.407 1.908 20 30 EDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)c1ccc(F)cc1 ZINC000820464846 593820380 /nfs/dbraw/zinc/82/03/80/593820380.db2.gz WOTNZGDGEITZRA-KEYYUXOJSA-N 1 2 333.407 1.908 20 30 EDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CCCN(O)C1=O ZINC000820475952 593822072 /nfs/dbraw/zinc/82/20/72/593822072.db2.gz DBUGYEYZNOBUOP-NSHDSACASA-N 1 2 338.314 1.119 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1NCCCNS(=O)(=O)CC ZINC000820645703 593852051 /nfs/dbraw/zinc/85/20/51/593852051.db2.gz YCJAQAFQHHPTTI-UHFFFAOYSA-N 1 2 325.434 1.615 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)C(F)(F)c2ccccc2NC(C)=O)CC1 ZINC000822935114 594125162 /nfs/dbraw/zinc/12/51/62/594125162.db2.gz MXBDRAZFTSJIHH-UHFFFAOYSA-N 1 2 349.381 1.904 20 30 EDEDLO COc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1C#N ZINC000828654489 594472969 /nfs/dbraw/zinc/47/29/69/594472969.db2.gz IXAPGWNIRZWNRM-WBVHZDCISA-N 1 2 345.399 1.385 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000829038455 594554973 /nfs/dbraw/zinc/55/49/73/594554973.db2.gz MQHWUKNAXQBSTG-IRXDYDNUSA-N 1 2 342.443 1.864 20 30 EDEDLO N#Cc1cc(F)ccc1N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000827420756 594670136 /nfs/dbraw/zinc/67/01/36/594670136.db2.gz XCGAULHWCAICPG-UHFFFAOYSA-N 1 2 327.363 1.633 20 30 EDEDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000831686845 594692567 /nfs/dbraw/zinc/69/25/67/594692567.db2.gz BRBFHMYCJCYLSI-HUUCEWRRSA-N 1 2 335.448 1.945 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000831687862 594692849 /nfs/dbraw/zinc/69/28/49/594692849.db2.gz XWESJBUKNKGEJF-HNNXBMFYSA-N 1 2 343.427 1.812 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000831691520 594693079 /nfs/dbraw/zinc/69/30/79/594693079.db2.gz PQKPKJISMVJNHJ-INIZCTEOSA-N 1 2 341.411 1.879 20 30 EDEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000832190489 594733927 /nfs/dbraw/zinc/73/39/27/594733927.db2.gz GALNVCPPYXWLBB-CYBMUJFWSA-N 1 2 340.387 1.319 20 30 EDEDLO CC1(C)C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@@H]2COC[C@@H]21 ZINC000832771678 594775636 /nfs/dbraw/zinc/77/56/36/594775636.db2.gz CEZLHVDWGFDNPE-GOEBONIOSA-N 1 2 338.411 1.777 20 30 EDEDLO CC1(C)C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@@H]2COC[C@@H]21 ZINC000832771678 594775637 /nfs/dbraw/zinc/77/56/37/594775637.db2.gz CEZLHVDWGFDNPE-GOEBONIOSA-N 1 2 338.411 1.777 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)OCC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000835367894 594818664 /nfs/dbraw/zinc/81/86/64/594818664.db2.gz CZNDBABUTPKJNW-OAHLLOKOSA-N 1 2 347.415 1.860 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)OCC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000835367894 594818666 /nfs/dbraw/zinc/81/86/66/594818666.db2.gz CZNDBABUTPKJNW-OAHLLOKOSA-N 1 2 347.415 1.860 20 30 EDEDLO Cc1ccc(C)c(NC(=O)CON=C(N)C[NH+]2CCSCC2)c1 ZINC000121507062 594900341 /nfs/dbraw/zinc/90/03/41/594900341.db2.gz FYBZBPLXDNHTRA-UHFFFAOYSA-N 1 2 336.461 1.580 20 30 EDEDLO C[C@H]1CCCC[C@H]1N(C)C(=O)CON=C(N)C[NH+]1CCSCC1 ZINC000121511259 594912817 /nfs/dbraw/zinc/91/28/17/594912817.db2.gz PRSVZVQQYGZLOS-UONOGXRCSA-N 1 2 342.509 1.361 20 30 EDEDLO CCn1c[nH+]cc1CN=Nc1ncnc2c1c(Br)nn2C ZINC000841623784 594930023 /nfs/dbraw/zinc/93/00/23/594930023.db2.gz KBXSGKYAEMJWNO-UHFFFAOYSA-N 1 2 349.196 1.788 20 30 EDEDLO C#CCOCCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000836396973 594959544 /nfs/dbraw/zinc/95/95/44/594959544.db2.gz OTQAIBHLGXHNGC-UHFFFAOYSA-N 1 2 332.791 1.975 20 30 EDEDLO C=C[C@@H](C)ONC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000845627525 595034140 /nfs/dbraw/zinc/03/41/40/595034140.db2.gz GZVULOCPPWMGJZ-OAHLLOKOSA-N 1 2 349.431 1.907 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H](C)C[NH3+])cc2[nH]c1=S ZINC000834341076 595097598 /nfs/dbraw/zinc/09/75/98/595097598.db2.gz MKEZYXXLBHKPQW-SNVBAGLBSA-N 1 2 332.429 1.196 20 30 EDEDLO C#CCn1cc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC000834610118 595174606 /nfs/dbraw/zinc/17/46/06/595174606.db2.gz XVBOAWXZKNYREX-UHFFFAOYSA-N 1 2 338.411 1.279 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(Cl)ccc2-n2cncn2)CC1 ZINC000843798757 595189484 /nfs/dbraw/zinc/18/94/84/595189484.db2.gz ZSEKUBGRXVFDEZ-UHFFFAOYSA-N 1 2 329.791 1.312 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)CC2)cn1 ZINC000834732800 595200824 /nfs/dbraw/zinc/20/08/24/595200824.db2.gz PBSLDSVBEICNPY-CYBMUJFWSA-N 1 2 336.399 1.130 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)CC2)cn1 ZINC000834732800 595200828 /nfs/dbraw/zinc/20/08/28/595200828.db2.gz PBSLDSVBEICNPY-CYBMUJFWSA-N 1 2 336.399 1.130 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC1(Br)CC1 ZINC000846815622 595320262 /nfs/dbraw/zinc/32/02/62/595320262.db2.gz PVHMUSNEOJRPGA-NSHDSACASA-N 1 2 336.237 1.786 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1(Br)CC1 ZINC000846815622 595320265 /nfs/dbraw/zinc/32/02/65/595320265.db2.gz PVHMUSNEOJRPGA-NSHDSACASA-N 1 2 336.237 1.786 20 30 EDEDLO Cc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000844566964 595360106 /nfs/dbraw/zinc/36/01/06/595360106.db2.gz LPFNBRMOMIKQLQ-UHFFFAOYSA-N 1 2 340.880 1.779 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000847155834 595368971 /nfs/dbraw/zinc/36/89/71/595368971.db2.gz NXTOZZWFJPVJCC-OAHLLOKOSA-N 1 2 331.420 1.092 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(c2cccc(-n3cccn3)c2C#N)CC1 ZINC000848667981 595425166 /nfs/dbraw/zinc/42/51/66/595425166.db2.gz MVVUSSCCRBWOJN-DEOSSOPVSA-N 1 2 343.456 1.244 20 30 EDEDLO COC[C@]1(C)NC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000113242902 595675038 /nfs/dbraw/zinc/67/50/38/595675038.db2.gz TUOJFFNFLNRDAI-SFHVURJKSA-N 1 2 344.415 1.683 20 30 EDEDLO COC[C@]1(C)NC(=O)N(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000113242902 595675040 /nfs/dbraw/zinc/67/50/40/595675040.db2.gz TUOJFFNFLNRDAI-SFHVURJKSA-N 1 2 344.415 1.683 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCO[C@H](CNC(=O)NC)C1 ZINC000858684207 595864201 /nfs/dbraw/zinc/86/42/01/595864201.db2.gz REKQVZODFLJTKT-CQSZACIVSA-N 1 2 332.404 1.008 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(OC3CCC3)cc2)CC1 ZINC000853744716 595869708 /nfs/dbraw/zinc/86/97/08/595869708.db2.gz DGUKRRICMCBVBL-UHFFFAOYSA-N 1 2 328.412 1.774 20 30 EDEDLO C#CC[C@@H](COC)Nc1nc(N[C@@H](CC#C)COC)c(F)c(C)[nH+]1 ZINC000858860856 595908360 /nfs/dbraw/zinc/90/83/60/595908360.db2.gz VGXVXLPDWUKGPT-KBPBESRZSA-N 1 2 334.395 1.825 20 30 EDEDLO C=C[C@@H](C)ONC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000854219908 596005805 /nfs/dbraw/zinc/00/58/05/596005805.db2.gz LGPPIQGVUSXLPV-OIISXLGYSA-N 1 2 331.416 1.787 20 30 EDEDLO C=C[C@@H](C)ONC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000854219908 596005808 /nfs/dbraw/zinc/00/58/08/596005808.db2.gz LGPPIQGVUSXLPV-OIISXLGYSA-N 1 2 331.416 1.787 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CCC[C@@](O)(Cc3nc(CC)no3)C2)nn1 ZINC000856596806 596029046 /nfs/dbraw/zinc/02/90/46/596029046.db2.gz MEKGTUNQOFBYTJ-QGZVFWFLSA-N 1 2 346.435 1.369 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@](O)(Cc3nc(CC)no3)C2)nn1 ZINC000856596806 596029051 /nfs/dbraw/zinc/02/90/51/596029051.db2.gz MEKGTUNQOFBYTJ-QGZVFWFLSA-N 1 2 346.435 1.369 20 30 EDEDLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)C1 ZINC000852333807 596128768 /nfs/dbraw/zinc/12/87/68/596128768.db2.gz VWAVGZLFBLMQHK-NVXWUHKLSA-N 1 2 348.472 1.220 20 30 EDEDLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)C1 ZINC000852333807 596128770 /nfs/dbraw/zinc/12/87/70/596128770.db2.gz VWAVGZLFBLMQHK-NVXWUHKLSA-N 1 2 348.472 1.220 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000852408331 596149486 /nfs/dbraw/zinc/14/94/86/596149486.db2.gz UTIJUARGUCXJLA-UHFFFAOYSA-N 1 2 326.227 1.865 20 30 EDEDLO COC(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000852570437 596200574 /nfs/dbraw/zinc/20/05/74/596200574.db2.gz QOXYQSBZRRZDMN-HNNXBMFYSA-N 1 2 346.431 1.952 20 30 EDEDLO COC(=O)N(C)CC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000852570437 596200575 /nfs/dbraw/zinc/20/05/75/596200575.db2.gz QOXYQSBZRRZDMN-HNNXBMFYSA-N 1 2 346.431 1.952 20 30 EDEDLO N#C[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCOC1 ZINC000864614160 596283469 /nfs/dbraw/zinc/28/34/69/596283469.db2.gz QZMYPPBUWJVGAJ-PKOBYXMFSA-N 1 2 343.427 1.324 20 30 EDEDLO N#C[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCOC1 ZINC000864614160 596283473 /nfs/dbraw/zinc/28/34/73/596283473.db2.gz QZMYPPBUWJVGAJ-PKOBYXMFSA-N 1 2 343.427 1.324 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000869105607 596410988 /nfs/dbraw/zinc/41/09/88/596410988.db2.gz WEPOLQICRXXUHT-WMZOPIPTSA-N 1 2 339.443 1.555 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000869105607 596410991 /nfs/dbraw/zinc/41/09/91/596410991.db2.gz WEPOLQICRXXUHT-WMZOPIPTSA-N 1 2 339.443 1.555 20 30 EDEDLO C=CCn1c(-c2cn[nH]c2)nnc1N1CCN(C)c2[nH+]cccc2C1 ZINC000871050604 596447215 /nfs/dbraw/zinc/44/72/15/596447215.db2.gz GRAYXQNDLBNRKD-UHFFFAOYSA-N 1 2 336.403 1.706 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1Cl ZINC000867710690 596508094 /nfs/dbraw/zinc/50/80/94/596508094.db2.gz DCJLQXWFTGKAGG-GFCCVEGCSA-N 1 2 345.827 1.924 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1Cl ZINC000867710690 596508095 /nfs/dbraw/zinc/50/80/95/596508095.db2.gz DCJLQXWFTGKAGG-GFCCVEGCSA-N 1 2 345.827 1.924 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000867733031 596522390 /nfs/dbraw/zinc/52/23/90/596522390.db2.gz GYPFQIDMJVUVEA-KRWDZBQOSA-N 1 2 338.473 1.691 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000867733031 596522392 /nfs/dbraw/zinc/52/23/92/596522392.db2.gz GYPFQIDMJVUVEA-KRWDZBQOSA-N 1 2 338.473 1.691 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000867751308 596530692 /nfs/dbraw/zinc/53/06/92/596530692.db2.gz GHMMSUFYQBQOOP-DZGCQCFKSA-N 1 2 349.460 1.345 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000867759992 596536022 /nfs/dbraw/zinc/53/60/22/596536022.db2.gz GHMMSUFYQBQOOP-ZFWWWQNUSA-N 1 2 349.460 1.345 20 30 EDEDLO C=C(Cl)C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(=O)OCC ZINC000870032119 596717989 /nfs/dbraw/zinc/71/79/89/596717989.db2.gz CZVLQWKKLRWNMR-MUBLQREKSA-N 1 2 330.812 1.065 20 30 EDEDLO C[C@H](NC(=O)N(C)CCc1cccc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000868285978 596766110 /nfs/dbraw/zinc/76/61/10/596766110.db2.gz LJLHGPJKHKIZPS-HOTGVXAUSA-N 1 2 344.459 1.851 20 30 EDEDLO COc1c(N)[nH+]cnc1N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000866212308 596829863 /nfs/dbraw/zinc/82/98/63/596829863.db2.gz UOIAOAQOTMIUMH-UHFFFAOYSA-N 1 2 328.351 1.405 20 30 EDEDLO COc1c(N)nc[nH+]c1N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000866212308 596829865 /nfs/dbraw/zinc/82/98/65/596829865.db2.gz UOIAOAQOTMIUMH-UHFFFAOYSA-N 1 2 328.351 1.405 20 30 EDEDLO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc(C#N)c1O ZINC000866251782 596838417 /nfs/dbraw/zinc/83/84/17/596838417.db2.gz RCNQBTATKWPFMT-LBPRGKRZSA-N 1 2 337.445 1.586 20 30 EDEDLO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1O ZINC000866253565 596838544 /nfs/dbraw/zinc/83/85/44/596838544.db2.gz KQUMBSIGQWZPLT-YOEHRIQHSA-N 1 2 344.459 1.857 20 30 EDEDLO C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1O ZINC000866253565 596838547 /nfs/dbraw/zinc/83/85/47/596838547.db2.gz KQUMBSIGQWZPLT-YOEHRIQHSA-N 1 2 344.459 1.857 20 30 EDEDLO C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1[O-] ZINC000866253565 596838550 /nfs/dbraw/zinc/83/85/50/596838550.db2.gz KQUMBSIGQWZPLT-YOEHRIQHSA-N 1 2 344.459 1.857 20 30 EDEDLO C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(C#N)c1[O-] ZINC000866253565 596838553 /nfs/dbraw/zinc/83/85/53/596838553.db2.gz KQUMBSIGQWZPLT-YOEHRIQHSA-N 1 2 344.459 1.857 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C=[NH+]NC(=S)NC[C@@H]1CCCO1 ZINC000872329996 596881994 /nfs/dbraw/zinc/88/19/94/596881994.db2.gz CGMSGKBZLFTIHC-AWEZNQCLSA-N 1 2 331.445 1.601 20 30 EDEDLO c1cnc(N=NCc2ccc(OCC[NH+]3CCOCC3)cc2)cn1 ZINC000872341693 596883068 /nfs/dbraw/zinc/88/30/68/596883068.db2.gz XPQZOORUCMMWGM-UHFFFAOYSA-N 1 2 327.388 1.634 20 30 EDEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(C#N)cc2Cl)C1 ZINC000866429362 596885128 /nfs/dbraw/zinc/88/51/28/596885128.db2.gz LOIXUFCUJUJKOP-NSHDSACASA-N 1 2 330.793 1.251 20 30 EDEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(C#N)cc2Cl)C1 ZINC000866429362 596885131 /nfs/dbraw/zinc/88/51/31/596885131.db2.gz LOIXUFCUJUJKOP-NSHDSACASA-N 1 2 330.793 1.251 20 30 EDEDLO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C#N)c1 ZINC000872471432 596924295 /nfs/dbraw/zinc/92/42/95/596924295.db2.gz MXSRXBKHFMTLGV-CVEARBPZSA-N 1 2 349.456 1.086 20 30 EDEDLO C=C(C)CONC(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@H]2C1 ZINC000875697677 596950913 /nfs/dbraw/zinc/95/09/13/596950913.db2.gz MFAJIORDCWZXSR-LSDHHAIUSA-N 1 2 332.404 1.708 20 30 EDEDLO C#CC[NH+]1CCN(Cn2ncc3c2ccc(C)c3C(=O)OC)CC1 ZINC000872558714 596964596 /nfs/dbraw/zinc/96/45/96/596964596.db2.gz YWRVNEWPXTWMCP-UHFFFAOYSA-N 1 2 326.400 1.340 20 30 EDEDLO CC1(C)C(=O)N(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)[C@H]1C1CC1 ZINC000872794340 597072315 /nfs/dbraw/zinc/07/23/15/597072315.db2.gz HTCWISMOLIBRPW-KRWDZBQOSA-N 1 2 339.443 1.680 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000874698583 597141197 /nfs/dbraw/zinc/14/11/97/597141197.db2.gz HZWBIIOVHCCMDK-HOCLYGCPSA-N 1 2 331.416 1.553 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000874698583 597141200 /nfs/dbraw/zinc/14/12/00/597141200.db2.gz HZWBIIOVHCCMDK-HOCLYGCPSA-N 1 2 331.416 1.553 20 30 EDEDLO CCCCCCCCNC(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000873781519 597388715 /nfs/dbraw/zinc/38/87/15/597388715.db2.gz QEKJFFBFTJDIJA-UHFFFAOYSA-N 1 2 335.452 1.744 20 30 EDEDLO CCCCCCCCNC(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000873781519 597388719 /nfs/dbraw/zinc/38/87/19/597388719.db2.gz QEKJFFBFTJDIJA-UHFFFAOYSA-N 1 2 335.452 1.744 20 30 EDEDLO Cc1cc(F)c(C#N)cc1NC(=O)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000873898450 597439590 /nfs/dbraw/zinc/43/95/90/597439590.db2.gz QWNREDPRMKUBKV-GFCCVEGCSA-N 1 2 327.319 1.402 20 30 EDEDLO C#C[C@H](CO)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000878300795 597593761 /nfs/dbraw/zinc/59/37/61/597593761.db2.gz IHCDSVPIOBZTAB-OFQRWUPVSA-N 1 2 331.416 1.411 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498586 597609211 /nfs/dbraw/zinc/60/92/11/597609211.db2.gz XCGDVBWXDIKFOI-APWZRJJASA-N 1 2 341.459 1.920 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498586 597609213 /nfs/dbraw/zinc/60/92/13/597609213.db2.gz XCGDVBWXDIKFOI-APWZRJJASA-N 1 2 341.459 1.920 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499947 597609630 /nfs/dbraw/zinc/60/96/30/597609630.db2.gz IYBOJSWWCDBHEM-GOEBONIOSA-N 1 2 339.443 1.817 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499947 597609632 /nfs/dbraw/zinc/60/96/32/597609632.db2.gz IYBOJSWWCDBHEM-GOEBONIOSA-N 1 2 339.443 1.817 20 30 EDEDLO C#CCC1(O)CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000883552628 597799372 /nfs/dbraw/zinc/79/93/72/597799372.db2.gz WMOLQOCTWWWRRX-OAHLLOKOSA-N 1 2 328.416 1.220 20 30 EDEDLO N#C[C@@H](C(=O)C[N@H+]1CC[C@H](CF)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000880297098 597894838 /nfs/dbraw/zinc/89/48/38/597894838.db2.gz JFVPIDYZPVKYOX-YPMHNXCESA-N 1 2 328.347 1.803 20 30 EDEDLO N#C[C@@H](C(=O)C[N@@H+]1CC[C@H](CF)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000880297098 597894840 /nfs/dbraw/zinc/89/48/40/597894840.db2.gz JFVPIDYZPVKYOX-YPMHNXCESA-N 1 2 328.347 1.803 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1OC(F)(F)F ZINC000884062259 597983282 /nfs/dbraw/zinc/98/32/82/597983282.db2.gz LUEDKUIKYSNWHQ-VIFPVBQESA-N 1 2 332.278 1.970 20 30 EDEDLO C#CCC1(O)CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000882529819 597986722 /nfs/dbraw/zinc/98/67/22/597986722.db2.gz YIPKYNZCHLTEIR-LBPRGKRZSA-N 1 2 329.322 1.753 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000884112103 597997912 /nfs/dbraw/zinc/99/79/12/597997912.db2.gz AYOWAMSMWKGNAN-ZDUSSCGKSA-N 1 2 348.399 1.256 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000884156228 598010058 /nfs/dbraw/zinc/01/00/58/598010058.db2.gz WHXUZUNYYAIBQR-RRFJBIMHSA-N 1 2 338.448 1.677 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(S(=O)(=O)Cc1csc(C#N)c1)C2 ZINC000914134795 695141880 /nfs/dbraw/zinc/14/18/80/695141880.db2.gz OEAVAAJAABCURL-UHFFFAOYSA-N 1 2 336.442 1.779 20 30 EDEDLO C#CCOc1ccc(C(=O)NC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)cc1 ZINC001031066902 695449660 /nfs/dbraw/zinc/44/96/60/695449660.db2.gz OKFMKRPJPGHDIG-GOSISDBHSA-N 1 2 342.439 1.928 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cncc(F)c3)C2)[nH]1 ZINC001007143772 695592926 /nfs/dbraw/zinc/59/29/26/695592926.db2.gz NYFCIXSGNZLKGH-HNNXBMFYSA-N 1 2 327.363 1.815 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cncc(F)c3)C2)[nH]1 ZINC001007143772 695592928 /nfs/dbraw/zinc/59/29/28/695592928.db2.gz NYFCIXSGNZLKGH-HNNXBMFYSA-N 1 2 327.363 1.815 20 30 EDEDLO Cc1nnsc1C[N@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000993165561 695711024 /nfs/dbraw/zinc/71/10/24/695711024.db2.gz AUBNWJNFGBQIQA-WCQYABFASA-N 1 2 344.444 1.829 20 30 EDEDLO Cc1nnsc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000993165561 695711027 /nfs/dbraw/zinc/71/10/27/695711027.db2.gz AUBNWJNFGBQIQA-WCQYABFASA-N 1 2 344.444 1.829 20 30 EDEDLO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)on1 ZINC000993192366 695767507 /nfs/dbraw/zinc/76/75/07/695767507.db2.gz BUCGIIHRPSCLBK-IAQYHMDHSA-N 1 2 343.387 1.666 20 30 EDEDLO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)on1 ZINC000993192366 695767509 /nfs/dbraw/zinc/76/75/09/695767509.db2.gz BUCGIIHRPSCLBK-IAQYHMDHSA-N 1 2 343.387 1.666 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)[C@H]1C ZINC000993510119 696187438 /nfs/dbraw/zinc/18/74/38/696187438.db2.gz LFFOPLHYDPPAHJ-DGCLKSJQSA-N 1 2 329.425 1.806 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)[C@H]1C ZINC000993510119 696187439 /nfs/dbraw/zinc/18/74/39/696187439.db2.gz LFFOPLHYDPPAHJ-DGCLKSJQSA-N 1 2 329.425 1.806 20 30 EDEDLO CC(C)(C)NC(=O)CON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000181842577 700075950 /nfs/dbraw/zinc/07/59/50/700075950.db2.gz WBCBQJMCNPLHKR-OAHLLOKOSA-N 1 2 348.447 1.091 20 30 EDEDLO CC(C)(C)NC(=O)CON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000181842577 700075952 /nfs/dbraw/zinc/07/59/52/700075952.db2.gz WBCBQJMCNPLHKR-OAHLLOKOSA-N 1 2 348.447 1.091 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CCS(C)(=O)=O)[C@H]2C)CC1 ZINC000993741024 696342511 /nfs/dbraw/zinc/34/25/11/696342511.db2.gz JMJHPSBDSRAWNI-HOCLYGCPSA-N 1 2 342.505 1.747 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CCS(C)(=O)=O)[C@H]2C)CC1 ZINC000993741024 696342512 /nfs/dbraw/zinc/34/25/12/696342512.db2.gz JMJHPSBDSRAWNI-HOCLYGCPSA-N 1 2 342.505 1.747 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)C1 ZINC000939985037 700103400 /nfs/dbraw/zinc/10/34/00/700103400.db2.gz IJZWEVOBLIMIRL-IUODEOHRSA-N 1 2 330.432 1.580 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(CC#Cc2ccc(Cl)cc2)C1 ZINC001031313833 696644018 /nfs/dbraw/zinc/64/40/18/696644018.db2.gz XVPKAIHDARZNGQ-UHFFFAOYSA-N 1 2 342.830 1.766 20 30 EDEDLO Cc1cnc(CON=C(N)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000181850086 700102641 /nfs/dbraw/zinc/10/26/41/700102641.db2.gz RZGWVUOOCQYCEC-HNNXBMFYSA-N 1 2 330.388 1.673 20 30 EDEDLO Cc1cnc(CON=C(N)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000181850086 700102642 /nfs/dbraw/zinc/10/26/42/700102642.db2.gz RZGWVUOOCQYCEC-HNNXBMFYSA-N 1 2 330.388 1.673 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@H]1C ZINC000994339832 696747395 /nfs/dbraw/zinc/74/73/95/696747395.db2.gz SFEKIUMNZAOKEA-CHWSQXEVSA-N 1 2 348.838 1.768 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@H]1C ZINC000994339832 696747397 /nfs/dbraw/zinc/74/73/97/696747397.db2.gz SFEKIUMNZAOKEA-CHWSQXEVSA-N 1 2 348.838 1.768 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2[C@H](C)C(=O)NC2CC2)cc1 ZINC001038581585 697131899 /nfs/dbraw/zinc/13/18/99/697131899.db2.gz LEBAGVJIUQAKFZ-CXAGYDPISA-N 1 2 325.412 1.139 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2[C@H](C)C(=O)NC2CC2)cc1 ZINC001038581585 697131900 /nfs/dbraw/zinc/13/19/00/697131900.db2.gz LEBAGVJIUQAKFZ-CXAGYDPISA-N 1 2 325.412 1.139 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000918843941 697215258 /nfs/dbraw/zinc/21/52/58/697215258.db2.gz AKOWYXRIBZQQJI-AWEZNQCLSA-N 1 2 347.444 1.618 20 30 EDEDLO CCO[C@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031564341 697255301 /nfs/dbraw/zinc/25/53/01/697255301.db2.gz DBRYMFNXBBSRLW-RDJZCZTQSA-N 1 2 331.391 1.670 20 30 EDEDLO COc1ccc(F)cc1C[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031619155 697336331 /nfs/dbraw/zinc/33/63/31/697336331.db2.gz LZKPBXSILFPXDL-UHFFFAOYSA-N 1 2 342.374 1.896 20 30 EDEDLO Cn1nncc1C(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001031642946 697395216 /nfs/dbraw/zinc/39/52/16/697395216.db2.gz GAEMUXUWFTVTMF-UHFFFAOYSA-N 1 2 343.818 1.182 20 30 EDEDLO Cn1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)nn1 ZINC001031650017 697409077 /nfs/dbraw/zinc/40/90/77/697409077.db2.gz QXJIWOICKHLHDI-UHFFFAOYSA-N 1 2 343.818 1.182 20 30 EDEDLO CCn1nncc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031654956 697420821 /nfs/dbraw/zinc/42/08/21/697420821.db2.gz PMJGWVIYPJQLBT-UHFFFAOYSA-N 1 2 342.378 1.171 20 30 EDEDLO CN(C)c1cnc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)cn1 ZINC001031669096 697464194 /nfs/dbraw/zinc/46/41/94/697464194.db2.gz AAQOCQOSPXKRFS-UHFFFAOYSA-N 1 2 349.438 1.256 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1COC2 ZINC001031686990 697517875 /nfs/dbraw/zinc/51/78/75/697517875.db2.gz IWJOQVZYKOIWTJ-LPHOPBHVSA-N 1 2 344.842 1.776 20 30 EDEDLO C=C(Cl)CN1CC(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001031688424 697524618 /nfs/dbraw/zinc/52/46/18/697524618.db2.gz BAJKTUNJDJHFAW-HNNXBMFYSA-N 1 2 337.855 1.591 20 30 EDEDLO C=C(Cl)CN1CC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031688424 697524621 /nfs/dbraw/zinc/52/46/21/697524621.db2.gz BAJKTUNJDJHFAW-HNNXBMFYSA-N 1 2 337.855 1.591 20 30 EDEDLO Cn1cc(Cl)c(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)n1 ZINC001031695586 697553114 /nfs/dbraw/zinc/55/31/14/697553114.db2.gz PGSHOVVIJSILRC-UHFFFAOYSA-N 1 2 342.830 1.787 20 30 EDEDLO C=C1CCC(C(=O)N2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC000938316341 697837650 /nfs/dbraw/zinc/83/76/50/697837650.db2.gz DDJVFYMUQKAKSL-HNNXBMFYSA-N 1 2 330.432 1.426 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000943341660 698161433 /nfs/dbraw/zinc/16/14/33/698161433.db2.gz CXKKDYXEDWYMRU-MAUKXSAKSA-N 1 2 332.448 1.983 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000938715115 698541710 /nfs/dbraw/zinc/54/17/10/698541710.db2.gz IJHVYPZNXGHYMS-OAHLLOKOSA-N 1 2 341.415 1.313 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000938715532 698542655 /nfs/dbraw/zinc/54/26/55/698542655.db2.gz RLSUFTKZQRDOCT-HNNXBMFYSA-N 1 2 330.432 1.758 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000938715532 698542657 /nfs/dbraw/zinc/54/26/57/698542657.db2.gz RLSUFTKZQRDOCT-HNNXBMFYSA-N 1 2 330.432 1.758 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ncc(C)cc3C)CC2)C1 ZINC000941498831 701560587 /nfs/dbraw/zinc/56/05/87/701560587.db2.gz IDDJEWCXYVKDBV-UHFFFAOYSA-N 1 2 326.444 1.164 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000941543241 701575407 /nfs/dbraw/zinc/57/54/07/701575407.db2.gz FDGYVNMICXKOIE-LBPRGKRZSA-N 1 2 325.372 1.397 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ncsc3C3CC3)CC2)C1 ZINC000941565352 701584655 /nfs/dbraw/zinc/58/46/55/701584655.db2.gz XQBJUFIMHQECKZ-UHFFFAOYSA-N 1 2 344.484 1.486 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ocnc3C(F)F)CC2)C1 ZINC000941566697 701585411 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ZINC001001771266 708293884 /nfs/dbraw/zinc/29/38/84/708293884.db2.gz CEBSMTHMIYQXCS-CYBMUJFWSA-N 1 2 337.855 1.805 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C2CCN(C(N)=O)CC2)C1 ZINC001033647826 708430689 /nfs/dbraw/zinc/43/06/89/708430689.db2.gz FTHHBEIKAGKCSZ-ZDUSSCGKSA-N 1 2 328.844 1.062 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(C(N)=O)CC2)C1 ZINC001033647826 708430691 /nfs/dbraw/zinc/43/06/91/708430691.db2.gz FTHHBEIKAGKCSZ-ZDUSSCGKSA-N 1 2 328.844 1.062 20 30 EDEDLO CN(C(=O)c1ccn(C)n1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033658638 708469257 /nfs/dbraw/zinc/46/92/57/708469257.db2.gz ZNCONBXNOZVVTN-OAHLLOKOSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1ccn(C)n1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033658638 708469260 /nfs/dbraw/zinc/46/92/60/708469260.db2.gz ZNCONBXNOZVVTN-OAHLLOKOSA-N 1 2 341.390 1.777 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001033700315 708526065 /nfs/dbraw/zinc/52/60/65/708526065.db2.gz XEWVFCIXWVCKSY-OAHLLOKOSA-N 1 2 335.835 1.613 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC001033700315 708526066 /nfs/dbraw/zinc/52/60/66/708526066.db2.gz XEWVFCIXWVCKSY-OAHLLOKOSA-N 1 2 335.835 1.613 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc3nnn(C)c32)C1 ZINC001033727525 708576572 /nfs/dbraw/zinc/57/65/72/708576572.db2.gz HVVMCSZNJFYVFC-LBPRGKRZSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3nnn(C)c32)C1 ZINC001033727525 708576574 /nfs/dbraw/zinc/57/65/74/708576574.db2.gz HVVMCSZNJFYVFC-LBPRGKRZSA-N 1 2 333.823 1.867 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3nnc(C)[nH]3)CC2)nc1 ZINC001002054657 708586767 /nfs/dbraw/zinc/58/67/67/708586767.db2.gz GDLCAELLZRIQMA-UHFFFAOYSA-N 1 2 338.415 1.131 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001005300541 708588380 /nfs/dbraw/zinc/58/83/80/708588380.db2.gz BKJSINYZWYGRRP-DZGCQCFKSA-N 1 2 332.448 1.908 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2ncc[nH]2)CC1 ZINC001005370183 708792496 /nfs/dbraw/zinc/79/24/96/708792496.db2.gz RPYDUMINQVLECP-UHFFFAOYSA-N 1 2 327.226 1.855 20 30 EDEDLO CCN(C(=O)c1[nH]nnc1C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033917708 709066817 /nfs/dbraw/zinc/06/68/17/709066817.db2.gz WXVWQTKRGTVJLO-LBPRGKRZSA-N 1 2 344.444 1.783 20 30 EDEDLO CCN(C(=O)c1[nH]nnc1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033917708 709066819 /nfs/dbraw/zinc/06/68/19/709066819.db2.gz WXVWQTKRGTVJLO-LBPRGKRZSA-N 1 2 344.444 1.783 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001033952901 709134130 /nfs/dbraw/zinc/13/41/30/709134130.db2.gz HJHVRVBVCZVPLY-MRXNPFEDSA-N 1 2 344.459 1.830 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(CN3CCCC3)on2)C1 ZINC001033952901 709134131 /nfs/dbraw/zinc/13/41/31/709134131.db2.gz HJHVRVBVCZVPLY-MRXNPFEDSA-N 1 2 344.459 1.830 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001034016133 709233272 /nfs/dbraw/zinc/23/32/72/709233272.db2.gz SOQXABSULCONOE-OLZOCXBDSA-N 1 2 337.855 1.585 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001034016133 709233275 /nfs/dbraw/zinc/23/32/75/709233275.db2.gz SOQXABSULCONOE-OLZOCXBDSA-N 1 2 337.855 1.585 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001034052060 709281069 /nfs/dbraw/zinc/28/10/69/709281069.db2.gz FLMJVIBGACUOSV-ZIAGYGMSSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001034052060 709281072 /nfs/dbraw/zinc/28/10/72/709281072.db2.gz FLMJVIBGACUOSV-ZIAGYGMSSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2c(C)ncn2C)CC1 ZINC001003084068 709946542 /nfs/dbraw/zinc/94/65/42/709946542.db2.gz JVRCDWFLNPADGR-UHFFFAOYSA-N 1 2 341.253 1.831 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nccn2CC)C1 ZINC001034403471 709949861 /nfs/dbraw/zinc/94/98/61/709949861.db2.gz HKPVRSQMGQDREN-BBWFWOEESA-N 1 2 346.475 1.965 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nccn2CC)C1 ZINC001034403471 709949864 /nfs/dbraw/zinc/94/98/64/709949864.db2.gz HKPVRSQMGQDREN-BBWFWOEESA-N 1 2 346.475 1.965 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1 ZINC001034477037 710084183 /nfs/dbraw/zinc/08/41/83/710084183.db2.gz IRBFPDLUQHIIOD-TZMCWYRMSA-N 1 2 327.856 1.578 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C2)C1 ZINC001034477037 710084187 /nfs/dbraw/zinc/08/41/87/710084187.db2.gz IRBFPDLUQHIIOD-TZMCWYRMSA-N 1 2 327.856 1.578 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CO[C@@H](C)C2)CC1 ZINC001003210275 710121141 /nfs/dbraw/zinc/12/11/41/710121141.db2.gz OUYVNVPIBXZGHB-RYUDHWBXSA-N 1 2 331.254 1.901 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cnn(CCOC)c2)C1 ZINC001034508334 710153356 /nfs/dbraw/zinc/15/33/56/710153356.db2.gz HNZCEHNPNUCXKK-OAHLLOKOSA-N 1 2 340.855 1.866 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(CCOC)c2)C1 ZINC001034508334 710153359 /nfs/dbraw/zinc/15/33/59/710153359.db2.gz HNZCEHNPNUCXKK-OAHLLOKOSA-N 1 2 340.855 1.866 20 30 EDEDLO CC#CC[NH+]1CCC(NC(=O)c2c(C)n[nH]c2C(F)(F)F)CC1 ZINC001003318358 710246856 /nfs/dbraw/zinc/24/68/56/710246856.db2.gz HTMVMEYMYHURHY-UHFFFAOYSA-N 1 2 328.338 1.954 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CC[NH+](Cc3nonc3C)CC2)c1 ZINC001003594009 710431625 /nfs/dbraw/zinc/43/16/25/710431625.db2.gz HXLIPRHSFVHESQ-UHFFFAOYSA-N 1 2 325.372 1.149 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CC[NH+]([C@@H](C)c3ncccn3)CC2)c1 ZINC001003598409 710435090 /nfs/dbraw/zinc/43/50/90/710435090.db2.gz JBEOIHSEWDPKBX-AWEZNQCLSA-N 1 2 335.411 1.808 20 30 EDEDLO C=CCn1cc(C(=O)NC2CC[NH+](Cc3nc(C)c(C)o3)CC2)nn1 ZINC001003760007 710532388 /nfs/dbraw/zinc/53/23/88/710532388.db2.gz RRBAQTWHMLMFGM-UHFFFAOYSA-N 1 2 344.419 1.463 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc1 ZINC001061770484 710607161 /nfs/dbraw/zinc/60/71/61/710607161.db2.gz KQUFXBCENIRXJU-RRFJBIMHSA-N 1 2 336.399 1.423 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc1 ZINC001061770484 710607164 /nfs/dbraw/zinc/60/71/64/710607164.db2.gz KQUFXBCENIRXJU-RRFJBIMHSA-N 1 2 336.399 1.423 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001005650835 710860876 /nfs/dbraw/zinc/86/08/76/710860876.db2.gz FDWZWOHGDAQGDO-UHFFFAOYSA-N 1 2 342.378 1.552 20 30 EDEDLO Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)oc1C ZINC001032992157 711177885 /nfs/dbraw/zinc/17/78/85/711177885.db2.gz OZRMDWUHKJOOLG-CQSZACIVSA-N 1 2 327.388 1.838 20 30 EDEDLO Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)oc1C ZINC001032992157 711177887 /nfs/dbraw/zinc/17/78/87/711177887.db2.gz OZRMDWUHKJOOLG-CQSZACIVSA-N 1 2 327.388 1.838 20 30 EDEDLO Cc1nc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)no1 ZINC001034896240 711318735 /nfs/dbraw/zinc/31/87/35/711318735.db2.gz XZFHQEOGSQBJGE-GXFFZTMASA-N 1 2 328.376 1.533 20 30 EDEDLO C=CCCC(=O)NC[C@H]1COCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001061410786 711597646 /nfs/dbraw/zinc/59/76/46/711597646.db2.gz UFVCSSVGHJTIAC-CABCVRRESA-N 1 2 334.420 1.144 20 30 EDEDLO CCc1c(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)cnn1C ZINC001004478118 711857763 /nfs/dbraw/zinc/85/77/63/711857763.db2.gz UUNWURUCWUQJOL-KRWDZBQOSA-N 1 2 329.448 1.823 20 30 EDEDLO CCc1c(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)cnn1C ZINC001004478118 711857765 /nfs/dbraw/zinc/85/77/65/711857765.db2.gz UUNWURUCWUQJOL-KRWDZBQOSA-N 1 2 329.448 1.823 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2coc(C(N)=O)c2)CC1 ZINC001004498219 711886359 /nfs/dbraw/zinc/88/63/59/711886359.db2.gz NRIZSBGTZYYFQL-AWEZNQCLSA-N 1 2 330.388 1.219 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2coc(C(N)=O)c2)CC1 ZINC001004498219 711886360 /nfs/dbraw/zinc/88/63/60/711886360.db2.gz NRIZSBGTZYYFQL-AWEZNQCLSA-N 1 2 330.388 1.219 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2coc(C(N)=O)c2)CC1 ZINC001004498221 711886484 /nfs/dbraw/zinc/88/64/84/711886484.db2.gz NRIZSBGTZYYFQL-CQSZACIVSA-N 1 2 330.388 1.219 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2coc(C(N)=O)c2)CC1 ZINC001004498221 711886487 /nfs/dbraw/zinc/88/64/87/711886487.db2.gz NRIZSBGTZYYFQL-CQSZACIVSA-N 1 2 330.388 1.219 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 ZINC001004627327 712085251 /nfs/dbraw/zinc/08/52/51/712085251.db2.gz YTCYWZWVPFMHRN-INIZCTEOSA-N 1 2 341.415 1.021 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)nc2)CC1 ZINC001004627327 712085254 /nfs/dbraw/zinc/08/52/54/712085254.db2.gz YTCYWZWVPFMHRN-INIZCTEOSA-N 1 2 341.415 1.021 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001061542785 712307178 /nfs/dbraw/zinc/30/71/78/712307178.db2.gz MVTGOJSXEULVNN-CABCVRRESA-N 1 2 348.447 1.288 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCNC(=O)C3)c[nH+]2)C[C@H](C)O1 ZINC000328878995 539374598 /nfs/dbraw/zinc/37/45/98/539374598.db2.gz UZFKGVWKMPSYPA-BETUJISGSA-N 1 2 347.419 1.381 20 30 EDEDLO Cc1cn2cc(NC(=O)N3CCN(C(=O)C(C)C)CC3)ccc2[nH+]1 ZINC000329450325 539437541 /nfs/dbraw/zinc/43/75/41/539437541.db2.gz OSDIXZMIFIVBDA-UHFFFAOYSA-N 1 2 329.404 1.988 20 30 EDEDLO O=C(NCc1ccc2c(c1)OCCO2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329588542 539445746 /nfs/dbraw/zinc/44/57/46/539445746.db2.gz NAPMCJNYHWLVEO-HNNXBMFYSA-N 1 2 347.415 1.278 20 30 EDEDLO O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCn2cc[nH+]c2C1 ZINC000329832203 539467271 /nfs/dbraw/zinc/46/72/71/539467271.db2.gz KIARUKUOLRDOCF-ZDUSSCGKSA-N 1 2 346.412 1.531 20 30 EDEDLO C#CCNC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000067004056 215102853 /nfs/dbraw/zinc/10/28/53/215102853.db2.gz CLTBREBCEPBLMC-UHFFFAOYSA-N 1 2 331.807 1.448 20 30 EDEDLO CN1C(=O)c2ccc(NC(=O)C[NH2+][C@H]3CCC[C@H]3C#N)cc2C1=O ZINC000333678649 539641677 /nfs/dbraw/zinc/64/16/77/539641677.db2.gz ZKRZITFEAQMLRP-HZMBPMFUSA-N 1 2 326.356 1.133 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc(OC(F)(F)F)cc1 ZINC000111182269 237113395 /nfs/dbraw/zinc/11/33/95/237113395.db2.gz YIURTHXRLIXUDV-UHFFFAOYSA-N 1 2 333.310 1.706 20 30 EDEDLO C[C@H]1CCCC[C@H]1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000112887865 237128123 /nfs/dbraw/zinc/12/81/23/237128123.db2.gz WWGKVQJRGHMZCZ-DLBZAZTESA-N 1 2 337.464 1.656 20 30 EDEDLO Cn1ccc(N2CCC[C@@H](O[NH+]=C(N)c3cccc(Cl)c3)C2=O)n1 ZINC000174100457 237274506 /nfs/dbraw/zinc/27/45/06/237274506.db2.gz VHULXLDHSGKCSB-CYBMUJFWSA-N 1 2 347.806 1.906 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nc1 ZINC000565155508 306376464 /nfs/dbraw/zinc/37/64/64/306376464.db2.gz FSDKHMYOGHYLBL-QGZVFWFLSA-N 1 2 348.472 1.780 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)nc1 ZINC000565155508 306376465 /nfs/dbraw/zinc/37/64/65/306376465.db2.gz FSDKHMYOGHYLBL-QGZVFWFLSA-N 1 2 348.472 1.780 20 30 EDEDLO N#Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)ccn1 ZINC000195052717 139005802 /nfs/dbraw/zinc/00/58/02/139005802.db2.gz OFYUJQBXXJMCQA-UHFFFAOYSA-N 1 2 336.395 1.715 20 30 EDEDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078655427 217095198 /nfs/dbraw/zinc/09/51/98/217095198.db2.gz XDVVANLSBMCNTD-HNNXBMFYSA-N 1 2 329.448 1.770 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1C[C@H](C)O ZINC000246205206 139099156 /nfs/dbraw/zinc/09/91/56/139099156.db2.gz QYKXQPKEKOAOMI-ZFWWWQNUSA-N 1 2 337.445 1.024 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1C[C@H](C)O ZINC000246205206 139099157 /nfs/dbraw/zinc/09/91/57/139099157.db2.gz QYKXQPKEKOAOMI-ZFWWWQNUSA-N 1 2 337.445 1.024 20 30 EDEDLO C#CC[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000270241456 249396807 /nfs/dbraw/zinc/39/68/07/249396807.db2.gz JOZPVHGVBDJWFD-QZTJIDSGSA-N 1 2 345.443 1.086 20 30 EDEDLO C=CCNC(=O)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000346823435 250046473 /nfs/dbraw/zinc/04/64/73/250046473.db2.gz CDFIFWNQGPDCOH-HNNXBMFYSA-N 1 2 345.378 1.250 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H](Cn3cncn3)C2)cc1OC ZINC000353643816 250082653 /nfs/dbraw/zinc/08/26/53/250082653.db2.gz KYNAKBIHURQOSZ-INIZCTEOSA-N 1 2 344.415 1.753 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H](Cn3cncn3)C2)cc1OC ZINC000353643816 250082658 /nfs/dbraw/zinc/08/26/58/250082658.db2.gz KYNAKBIHURQOSZ-INIZCTEOSA-N 1 2 344.415 1.753 20 30 EDEDLO CC(C)c1cccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000354443285 250089178 /nfs/dbraw/zinc/08/91/78/250089178.db2.gz NXPJXSNBXNIPNJ-UHFFFAOYSA-N 1 2 330.432 1.893 20 30 EDEDLO C=CCSCCNC(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000355288659 250111010 /nfs/dbraw/zinc/11/10/10/250111010.db2.gz CIENEWZGKRZLRF-AWEZNQCLSA-N 1 2 335.429 1.097 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)(C#N)CC1 ZINC000355669840 250119893 /nfs/dbraw/zinc/11/98/93/250119893.db2.gz IHCVIXNNVBBFAZ-HNNXBMFYSA-N 1 2 345.447 1.635 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)(C#N)CC1 ZINC000355669840 250119895 /nfs/dbraw/zinc/11/98/95/250119895.db2.gz IHCVIXNNVBBFAZ-HNNXBMFYSA-N 1 2 345.447 1.635 20 30 EDEDLO CC1(C#N)CC[NH+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1 ZINC000356446171 250125566 /nfs/dbraw/zinc/12/55/66/250125566.db2.gz KXJVSYCOAGKXDZ-UHFFFAOYSA-N 1 2 346.406 1.660 20 30 EDEDLO C=C(CC)C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000358626304 250139193 /nfs/dbraw/zinc/13/91/93/250139193.db2.gz RGIDJRQIVGABQD-UHFFFAOYSA-N 1 2 339.417 1.867 20 30 EDEDLO C#CC[C@@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000373888125 250247008 /nfs/dbraw/zinc/24/70/08/250247008.db2.gz RDVKQGQDBCGSLD-NXHRZFHOSA-N 1 2 327.428 1.693 20 30 EDEDLO C#CC[C@@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000373888125 250247011 /nfs/dbraw/zinc/24/70/11/250247011.db2.gz RDVKQGQDBCGSLD-NXHRZFHOSA-N 1 2 327.428 1.693 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000375162100 250279311 /nfs/dbraw/zinc/27/93/11/250279311.db2.gz UPAUNKNGMMMGDV-UHFFFAOYSA-N 1 2 333.392 1.138 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374353720 250260897 /nfs/dbraw/zinc/26/08/97/250260897.db2.gz VWKGBSVVEGEOLD-MRXNPFEDSA-N 1 2 335.363 1.335 20 30 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339.399 1.385 20 30 EDEDLO COCCO[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000331558121 141048037 /nfs/dbraw/zinc/04/80/37/141048037.db2.gz JZQLGZWVSCWMMU-CABCVRRESA-N 1 2 349.456 1.852 20 30 EDEDLO COCCO[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000331558121 141048038 /nfs/dbraw/zinc/04/80/38/141048038.db2.gz JZQLGZWVSCWMMU-CABCVRRESA-N 1 2 349.456 1.852 20 30 EDEDLO C[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCOCC1 ZINC000332564283 141204328 /nfs/dbraw/zinc/20/43/28/141204328.db2.gz UAMLMIGEIIHNMJ-OAHLLOKOSA-N 1 2 343.427 1.649 20 30 EDEDLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC000340217620 142308353 /nfs/dbraw/zinc/30/83/53/142308353.db2.gz IPCQZLQCFDVARR-IRXDYDNUSA-N 1 2 345.443 1.377 20 30 EDEDLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC000340217620 142308355 /nfs/dbraw/zinc/30/83/55/142308355.db2.gz IPCQZLQCFDVARR-IRXDYDNUSA-N 1 2 345.443 1.377 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000347242884 143299413 /nfs/dbraw/zinc/29/94/13/143299413.db2.gz BVHCUISVOHTKJB-QGZVFWFLSA-N 1 2 341.415 1.676 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000347242884 143299414 /nfs/dbraw/zinc/29/94/14/143299414.db2.gz BVHCUISVOHTKJB-QGZVFWFLSA-N 1 2 341.415 1.676 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000352614826 149086731 /nfs/dbraw/zinc/08/67/31/149086731.db2.gz DHULBOWISDRLSD-GFCCVEGCSA-N 1 2 325.409 1.553 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000352614826 149086732 /nfs/dbraw/zinc/08/67/32/149086732.db2.gz DHULBOWISDRLSD-GFCCVEGCSA-N 1 2 325.409 1.553 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@@]1=O ZINC000352618321 149087231 /nfs/dbraw/zinc/08/72/31/149087231.db2.gz OUVMSRARUSGNRW-NPMABZOXSA-N 1 2 328.441 1.912 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@@]1=O ZINC000352618321 149087233 /nfs/dbraw/zinc/08/72/33/149087233.db2.gz OUVMSRARUSGNRW-NPMABZOXSA-N 1 2 328.441 1.912 20 30 EDEDLO CN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355078862 150106988 /nfs/dbraw/zinc/10/69/88/150106988.db2.gz IZYDUASHHCFLHY-UHFFFAOYSA-N 1 2 349.438 1.734 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)NCc1c[nH+]cn1C ZINC000355269006 150192201 /nfs/dbraw/zinc/19/22/01/150192201.db2.gz QCMIAABBXQKISU-UHFFFAOYSA-N 1 2 328.372 1.776 20 30 EDEDLO N#Cc1ccnc(C(=O)N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC000357679234 151113547 /nfs/dbraw/zinc/11/35/47/151113547.db2.gz UGEJKXOTTPAAHL-OALUTQOASA-N 1 2 348.406 1.679 20 30 EDEDLO N#Cc1ccnc(C(=O)N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC000357679234 151113550 /nfs/dbraw/zinc/11/35/50/151113550.db2.gz UGEJKXOTTPAAHL-OALUTQOASA-N 1 2 348.406 1.679 20 30 EDEDLO N#Cc1ccsc1NC(=O)CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357735194 151131422 /nfs/dbraw/zinc/13/14/22/151131422.db2.gz GOVJQOSYWCESBD-UHFFFAOYSA-N 1 2 330.417 1.099 20 30 EDEDLO CCn1cc(C[N@H+](CCO)CC(=O)Nc2cccc(C#N)c2)cn1 ZINC000361340932 152365423 /nfs/dbraw/zinc/36/54/23/152365423.db2.gz KKWYNBDAIVTYAY-UHFFFAOYSA-N 1 2 327.388 1.208 20 30 EDEDLO CCn1cc(C[N@@H+](CCO)CC(=O)Nc2cccc(C#N)c2)cn1 ZINC000361340932 152365425 /nfs/dbraw/zinc/36/54/25/152365425.db2.gz KKWYNBDAIVTYAY-UHFFFAOYSA-N 1 2 327.388 1.208 20 30 EDEDLO CC1(C)[C@H](O)CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000361401511 152383365 /nfs/dbraw/zinc/38/33/65/152383365.db2.gz BMSMVJSUHINVRG-OAHLLOKOSA-N 1 2 339.399 1.528 20 30 EDEDLO CC1(C)[C@H](O)CC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000361401511 152383367 /nfs/dbraw/zinc/38/33/67/152383367.db2.gz BMSMVJSUHINVRG-OAHLLOKOSA-N 1 2 339.399 1.528 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(n3cccn3)CC2)nc1 ZINC000367384941 154098059 /nfs/dbraw/zinc/09/80/59/154098059.db2.gz INRJMNTUDOQHNV-UHFFFAOYSA-N 1 2 345.428 1.261 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)COCC(F)(F)F)CCO2)c1 ZINC000367779252 154267760 /nfs/dbraw/zinc/26/77/60/154267760.db2.gz NAAQCSWAUMMOSM-HUUCEWRRSA-N 1 2 344.333 1.871 20 30 EDEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)COCC(F)(F)F)CCO2)c1 ZINC000367779252 154267763 /nfs/dbraw/zinc/26/77/63/154267763.db2.gz NAAQCSWAUMMOSM-HUUCEWRRSA-N 1 2 344.333 1.871 20 30 EDEDLO N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000374009580 157105675 /nfs/dbraw/zinc/10/56/75/157105675.db2.gz ZGDRVNXFQNALFO-KRWDZBQOSA-N 1 2 343.427 1.650 20 30 EDEDLO Cc1nc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cs1 ZINC000575367650 306668520 /nfs/dbraw/zinc/66/85/20/306668520.db2.gz KPLOXFVOAMAZDT-UHFFFAOYSA-N 1 2 330.413 1.365 20 30 EDEDLO COc1nccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000294633614 270010928 /nfs/dbraw/zinc/01/09/28/270010928.db2.gz AQIGWTSBYWRQLI-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO CC[C@H](C)[NH+]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000296002876 270011295 /nfs/dbraw/zinc/01/12/95/270011295.db2.gz KTCSXMBSLIIEED-AWEZNQCLSA-N 1 2 336.461 1.143 20 30 EDEDLO N#Cc1ncn(CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)n1 ZINC000494551309 270014930 /nfs/dbraw/zinc/01/49/30/270014930.db2.gz YPUMJJZXFYXDQV-UHFFFAOYSA-N 1 2 339.403 1.242 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1C#N ZINC000534469444 270016241 /nfs/dbraw/zinc/01/62/41/270016241.db2.gz CAYRHNNRLBTBFN-OAHLLOKOSA-N 1 2 341.411 1.932 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c1C#N ZINC000534469444 270016242 /nfs/dbraw/zinc/01/62/42/270016242.db2.gz CAYRHNNRLBTBFN-OAHLLOKOSA-N 1 2 341.411 1.932 20 30 EDEDLO CCOC(=O)N1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000299561372 266260684 /nfs/dbraw/zinc/26/06/84/266260684.db2.gz NPMVRUKFCHBDIS-UHFFFAOYSA-N 1 2 344.415 1.339 20 30 EDEDLO CCOC(=O)N1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000299561372 266260687 /nfs/dbraw/zinc/26/06/87/266260687.db2.gz NPMVRUKFCHBDIS-UHFFFAOYSA-N 1 2 344.415 1.339 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000194577092 266327170 /nfs/dbraw/zinc/32/71/70/266327170.db2.gz FETWTEFOPLRRFQ-UHFFFAOYSA-N 1 2 342.399 1.202 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000283873214 267198295 /nfs/dbraw/zinc/19/82/95/267198295.db2.gz CCBUQOKUOQOWFQ-RRQGHBQHSA-N 1 2 329.400 1.257 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000283873214 267198299 /nfs/dbraw/zinc/19/82/99/267198299.db2.gz CCBUQOKUOQOWFQ-RRQGHBQHSA-N 1 2 329.400 1.257 20 30 EDEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000301787492 267330524 /nfs/dbraw/zinc/33/05/24/267330524.db2.gz PXNIJBHCGYJDIM-GFCCVEGCSA-N 1 2 341.390 1.550 20 30 EDEDLO Cc1cc(Nc2cnn(CC(=O)N3CCOCC3)c2)c(C#N)c(C)[nH+]1 ZINC000301792201 267350562 /nfs/dbraw/zinc/35/05/62/267350562.db2.gz RFACHFHTLBVPMC-UHFFFAOYSA-N 1 2 340.387 1.369 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C#N)n2C)nc[nH+]1 ZINC000449984424 267353794 /nfs/dbraw/zinc/35/37/94/267353794.db2.gz HZDFJPCUNQEXJR-CYBMUJFWSA-N 1 2 339.403 1.127 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(C#N)n2C)[nH+]cn1 ZINC000449984424 267353796 /nfs/dbraw/zinc/35/37/96/267353796.db2.gz HZDFJPCUNQEXJR-CYBMUJFWSA-N 1 2 339.403 1.127 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C#N)c2C)C1 ZINC000412376724 267363131 /nfs/dbraw/zinc/36/31/31/267363131.db2.gz XQDOKBLWLRYXLR-CQSZACIVSA-N 1 2 329.400 1.482 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(C#N)c2C)C1 ZINC000412376724 267363133 /nfs/dbraw/zinc/36/31/33/267363133.db2.gz XQDOKBLWLRYXLR-CQSZACIVSA-N 1 2 329.400 1.482 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000412362941 267363269 /nfs/dbraw/zinc/36/32/69/267363269.db2.gz VMTPJIUJILILPE-HOCLYGCPSA-N 1 2 343.427 1.663 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000412362941 267363271 /nfs/dbraw/zinc/36/32/71/267363271.db2.gz VMTPJIUJILILPE-HOCLYGCPSA-N 1 2 343.427 1.663 20 30 EDEDLO N#Cc1ccsc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000052050294 267390068 /nfs/dbraw/zinc/39/00/68/267390068.db2.gz SYQNSIXAXIQANN-HNNXBMFYSA-N 1 2 337.470 1.557 20 30 EDEDLO Cc1cn(C[C@@H](O)C[N@H+](C)CCC#N)c(=O)n1-c1ccc(C#N)cc1 ZINC000414168244 268069508 /nfs/dbraw/zinc/06/95/08/268069508.db2.gz UOQIIBGOIHQYAA-KRWDZBQOSA-N 1 2 339.399 1.025 20 30 EDEDLO Cc1cn(C[C@@H](O)C[N@@H+](C)CCC#N)c(=O)n1-c1ccc(C#N)cc1 ZINC000414168244 268069511 /nfs/dbraw/zinc/06/95/11/268069511.db2.gz UOQIIBGOIHQYAA-KRWDZBQOSA-N 1 2 339.399 1.025 20 30 EDEDLO N#Cc1ccc(NCC[NH+]2CCN(C(=O)C3CCCC3)CC2)nc1 ZINC000301293554 268155321 /nfs/dbraw/zinc/15/53/21/268155321.db2.gz UTMUWVMPVSNEJQ-UHFFFAOYSA-N 1 2 327.432 1.700 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCSC[C@@H]2CCO)cc1Cl ZINC000438644231 268242399 /nfs/dbraw/zinc/24/23/99/268242399.db2.gz HPDLJBOVXWHHQQ-ZDUSSCGKSA-N 1 2 339.848 1.950 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCSC[C@@H]2CCO)cc1Cl ZINC000438644231 268242401 /nfs/dbraw/zinc/24/24/01/268242401.db2.gz HPDLJBOVXWHHQQ-ZDUSSCGKSA-N 1 2 339.848 1.950 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000275002369 268261189 /nfs/dbraw/zinc/26/11/89/268261189.db2.gz PSERWPCXKODZCW-QRTARXTBSA-N 1 2 332.400 1.571 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000275002369 268261190 /nfs/dbraw/zinc/26/11/90/268261190.db2.gz PSERWPCXKODZCW-QRTARXTBSA-N 1 2 332.400 1.571 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000289382539 268314568 /nfs/dbraw/zinc/31/45/68/268314568.db2.gz CKBPTHCROJQWJF-UHFFFAOYSA-N 1 2 348.453 1.351 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000289382539 268314572 /nfs/dbraw/zinc/31/45/72/268314572.db2.gz CKBPTHCROJQWJF-UHFFFAOYSA-N 1 2 348.453 1.351 20 30 EDEDLO CC(=O)N1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 ZINC000279142341 268790008 /nfs/dbraw/zinc/79/00/08/268790008.db2.gz YKFNWQYOHQDXIA-KDOFPFPSSA-N 1 2 340.427 1.606 20 30 EDEDLO CC(=O)N1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 ZINC000279142341 268790011 /nfs/dbraw/zinc/79/00/11/268790011.db2.gz YKFNWQYOHQDXIA-KDOFPFPSSA-N 1 2 340.427 1.606 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000376200664 278015639 /nfs/dbraw/zinc/01/56/39/278015639.db2.gz UHLAGQSXNCNILN-QAPCUYQASA-N 1 2 339.439 1.911 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000420990874 278146822 /nfs/dbraw/zinc/14/68/22/278146822.db2.gz VFZPGKUUYGUOII-CZUORRHYSA-N 1 2 346.406 1.671 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000420990874 278146825 /nfs/dbraw/zinc/14/68/25/278146825.db2.gz VFZPGKUUYGUOII-CZUORRHYSA-N 1 2 346.406 1.671 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000366587166 288282115 /nfs/dbraw/zinc/28/21/15/288282115.db2.gz ZCGTYMYYXMTLCX-FUHWJXTLSA-N 1 2 348.447 1.302 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCCOC2)O1 ZINC000366587166 288282120 /nfs/dbraw/zinc/28/21/20/288282120.db2.gz ZCGTYMYYXMTLCX-FUHWJXTLSA-N 1 2 348.447 1.302 20 30 EDEDLO C[NH+](C)[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1c(F)cccc1F ZINC000115843716 289356372 /nfs/dbraw/zinc/35/63/72/289356372.db2.gz MXEMYQVNFFRKGL-SMDDNHRTSA-N 1 2 338.358 1.501 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000332929856 298136455 /nfs/dbraw/zinc/13/64/55/298136455.db2.gz BRFCAGBVMUHDJM-RKVPGOIHSA-N 1 2 335.448 1.597 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000332929856 298136458 /nfs/dbraw/zinc/13/64/58/298136458.db2.gz BRFCAGBVMUHDJM-RKVPGOIHSA-N 1 2 335.448 1.597 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414612949 447315431 /nfs/dbraw/zinc/31/54/31/447315431.db2.gz PXDFNTZTQHYACO-CVEARBPZSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414612949 447315436 /nfs/dbraw/zinc/31/54/36/447315436.db2.gz PXDFNTZTQHYACO-CVEARBPZSA-N 1 2 342.443 1.337 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CC#N ZINC000286071620 303006947 /nfs/dbraw/zinc/00/69/47/303006947.db2.gz DFZDERNXPGHNFU-GFCCVEGCSA-N 1 2 333.392 1.454 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458389138 447340319 /nfs/dbraw/zinc/34/03/19/447340319.db2.gz ZCLCQBFNNKFZTA-CALCHBBNSA-N 1 2 345.443 1.914 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458389138 447340324 /nfs/dbraw/zinc/34/03/24/447340324.db2.gz ZCLCQBFNNKFZTA-CALCHBBNSA-N 1 2 345.443 1.914 20 30 EDEDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000377786258 447356647 /nfs/dbraw/zinc/35/66/47/447356647.db2.gz ZMGITEZXJYUMGO-UHFFFAOYSA-N 1 2 340.424 1.011 20 30 EDEDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000377786258 447356652 /nfs/dbraw/zinc/35/66/52/447356652.db2.gz ZMGITEZXJYUMGO-UHFFFAOYSA-N 1 2 340.424 1.011 20 30 EDEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000554816473 306198322 /nfs/dbraw/zinc/19/83/22/306198322.db2.gz XEBQBSPWYMWGFL-MRXNPFEDSA-N 1 2 327.384 1.567 20 30 EDEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000554816473 306198323 /nfs/dbraw/zinc/19/83/23/306198323.db2.gz XEBQBSPWYMWGFL-MRXNPFEDSA-N 1 2 327.384 1.567 20 30 EDEDLO CCNc1nc(NC(C)(C)C)nc(NCc2ccc(C#N)cc2)[nH+]1 ZINC000557510232 306228639 /nfs/dbraw/zinc/22/86/39/306228639.db2.gz KHHZQMIGUPJOGG-UHFFFAOYSA-N 1 2 325.420 1.841 20 30 EDEDLO CCNc1nc(NCc2ccc(C#N)cc2)nc(NC(C)(C)C)[nH+]1 ZINC000557510232 306228640 /nfs/dbraw/zinc/22/86/40/306228640.db2.gz KHHZQMIGUPJOGG-UHFFFAOYSA-N 1 2 325.420 1.841 20 30 EDEDLO CCNc1nc(NCc2ccc(C#N)cc2)[nH+]c(NC(C)(C)C)n1 ZINC000557510232 306228641 /nfs/dbraw/zinc/22/86/41/306228641.db2.gz KHHZQMIGUPJOGG-UHFFFAOYSA-N 1 2 325.420 1.841 20 30 EDEDLO N#CCOc1ccc(/C=C\C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000493717083 447375062 /nfs/dbraw/zinc/37/50/62/447375062.db2.gz CRYFZPYZCNBDBK-JHAQOBCDSA-N 1 2 335.354 1.963 20 30 EDEDLO Cn1cc(I)c(C[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC000449602373 447378776 /nfs/dbraw/zinc/37/87/76/447378776.db2.gz CUWCOGXONNEZAN-BDAKNGLRSA-N 1 2 330.173 1.807 20 30 EDEDLO C=CCC1(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCCC1 ZINC000449773518 447393217 /nfs/dbraw/zinc/39/32/17/447393217.db2.gz IOTPPAODQLJXGD-UHFFFAOYSA-N 1 2 343.475 1.851 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1Cl ZINC000045096722 440949172 /nfs/dbraw/zinc/94/91/72/440949172.db2.gz LXSUINSJSRWKMS-HNNXBMFYSA-N 1 2 346.818 1.893 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)cc1Cl ZINC000045096722 440949182 /nfs/dbraw/zinc/94/91/82/440949182.db2.gz LXSUINSJSRWKMS-HNNXBMFYSA-N 1 2 346.818 1.893 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2SCC(=O)N(CCC#N)CCC#N ZINC000011678238 441122874 /nfs/dbraw/zinc/12/28/74/441122874.db2.gz PWFRAXGXOJWLGA-UHFFFAOYSA-N 1 2 329.389 1.111 20 30 EDEDLO CCOc1ccc(OCCNC(=O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000057906382 441142884 /nfs/dbraw/zinc/14/28/84/441142884.db2.gz SNLQGHKBVPBSCZ-UHFFFAOYSA-N 1 2 331.416 1.816 20 30 EDEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)CCC#N)cc1O ZINC000080985370 441217212 /nfs/dbraw/zinc/21/72/12/441217212.db2.gz HMRYANQYRJUWDI-UHFFFAOYSA-N 1 2 330.388 1.489 20 30 EDEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)CCC#N)cc1O ZINC000080985370 441217217 /nfs/dbraw/zinc/21/72/17/441217217.db2.gz HMRYANQYRJUWDI-UHFFFAOYSA-N 1 2 330.388 1.489 20 30 EDEDLO CC1CCN(C(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000060481831 441246594 /nfs/dbraw/zinc/24/65/94/441246594.db2.gz HRTFQQRPPNVHIT-UHFFFAOYSA-N 1 2 327.432 1.334 20 30 EDEDLO COCC[N@H+](CCC#N)CCC(=O)NC(=O)NCc1ccccc1 ZINC000072689850 441249929 /nfs/dbraw/zinc/24/99/29/441249929.db2.gz XFKMKOBHUAUMQY-UHFFFAOYSA-N 1 2 332.404 1.265 20 30 EDEDLO COCC[N@@H+](CCC#N)CCC(=O)NC(=O)NCc1ccccc1 ZINC000072689850 441249932 /nfs/dbraw/zinc/24/99/32/441249932.db2.gz XFKMKOBHUAUMQY-UHFFFAOYSA-N 1 2 332.404 1.265 20 30 EDEDLO CO/N=C(/C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccco1 ZINC000072883383 441272956 /nfs/dbraw/zinc/27/29/56/441272956.db2.gz FRMMJJIXAAIORL-CAPFRKAQSA-N 1 2 344.371 1.178 20 30 EDEDLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000073615389 441333196 /nfs/dbraw/zinc/33/31/96/441333196.db2.gz NIVOCDPVODIWEQ-BBRMVZONSA-N 1 2 349.456 1.024 20 30 EDEDLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000073615389 441333201 /nfs/dbraw/zinc/33/32/01/441333201.db2.gz NIVOCDPVODIWEQ-BBRMVZONSA-N 1 2 349.456 1.024 20 30 EDEDLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000088546675 441512378 /nfs/dbraw/zinc/51/23/78/441512378.db2.gz SBZVYNUDAIHUQB-KRWDZBQOSA-N 1 2 344.371 1.666 20 30 EDEDLO COC[C@](C)(C#N)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000137241748 441758518 /nfs/dbraw/zinc/75/85/18/441758518.db2.gz CBENGSLDABFGQO-INIZCTEOSA-N 1 2 332.429 1.921 20 30 EDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000143160959 441870004 /nfs/dbraw/zinc/87/00/04/441870004.db2.gz GEHAAYMVQNEYKX-NEPJUHHUSA-N 1 2 346.387 1.586 20 30 EDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000143160959 441870008 /nfs/dbraw/zinc/87/00/08/441870008.db2.gz GEHAAYMVQNEYKX-NEPJUHHUSA-N 1 2 346.387 1.586 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(Br)nc2)CC1 ZINC000123025283 441872759 /nfs/dbraw/zinc/87/27/59/441872759.db2.gz JVNNFRRXTGUEPU-UHFFFAOYSA-N 1 2 338.205 1.000 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(C)o1 ZINC000143461296 441873036 /nfs/dbraw/zinc/87/30/36/441873036.db2.gz FUTXBBPZQLFMSA-UHFFFAOYSA-N 1 2 340.383 1.964 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000160620408 441903183 /nfs/dbraw/zinc/90/31/83/441903183.db2.gz CMIOVVAHAZYBGG-ZDUSSCGKSA-N 1 2 330.407 1.482 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc(-c2ccoc2)no1 ZINC000174830831 441972817 /nfs/dbraw/zinc/97/28/17/441972817.db2.gz RKTCSLRBOJLWSE-UHFFFAOYSA-N 1 2 331.376 1.377 20 30 EDEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)C1CC1 ZINC000161379675 441992145 /nfs/dbraw/zinc/99/21/45/441992145.db2.gz MGSULKXOVMOACO-UONOGXRCSA-N 1 2 333.354 1.430 20 30 EDEDLO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125301211 442006569 /nfs/dbraw/zinc/00/65/69/442006569.db2.gz KCCMZULWGNKICY-LBPRGKRZSA-N 1 2 343.399 1.989 20 30 EDEDLO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125301211 442006573 /nfs/dbraw/zinc/00/65/73/442006573.db2.gz KCCMZULWGNKICY-LBPRGKRZSA-N 1 2 343.399 1.989 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(F)c1 ZINC000125687913 442040918 /nfs/dbraw/zinc/04/09/18/442040918.db2.gz RJUBUCCOMDVOOW-GFCCVEGCSA-N 1 2 339.367 1.471 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152182356 442177346 /nfs/dbraw/zinc/17/73/46/442177346.db2.gz YQCUGTAISCYSJF-ZFWWWQNUSA-N 1 2 344.463 1.870 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152182356 442177348 /nfs/dbraw/zinc/17/73/48/442177348.db2.gz YQCUGTAISCYSJF-ZFWWWQNUSA-N 1 2 344.463 1.870 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000121165298 442185768 /nfs/dbraw/zinc/18/57/68/442185768.db2.gz OKGBJZVBNJTXPG-LSDHHAIUSA-N 1 2 334.807 1.165 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000121165298 442185770 /nfs/dbraw/zinc/18/57/70/442185770.db2.gz OKGBJZVBNJTXPG-LSDHHAIUSA-N 1 2 334.807 1.165 20 30 EDEDLO NC(CCO)=[NH+]OCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000121364709 442208161 /nfs/dbraw/zinc/20/81/61/442208161.db2.gz UMGGXSACZRXNTP-QGZVFWFLSA-N 1 2 337.395 1.844 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCN1Cc1ccccc1 ZINC000132497837 442394972 /nfs/dbraw/zinc/39/49/72/442394972.db2.gz JIURJGGMNLOLKN-IEBWSBKVSA-N 1 2 349.438 1.682 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc(C#N)cn1C ZINC000155653260 442416333 /nfs/dbraw/zinc/41/63/33/442416333.db2.gz BXRMBJPPYLUFFM-UHFFFAOYSA-N 1 2 325.372 1.689 20 30 EDEDLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000135061076 442551883 /nfs/dbraw/zinc/55/18/83/442551883.db2.gz GCGFIAXZICYJDB-CYBMUJFWSA-N 1 2 341.864 1.197 20 30 EDEDLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135061076 442551888 /nfs/dbraw/zinc/55/18/88/442551888.db2.gz GCGFIAXZICYJDB-CYBMUJFWSA-N 1 2 341.864 1.197 20 30 EDEDLO C[N@H+](Cc1cc(C#N)ccc1Br)CC(C)(CO)CO ZINC000191810025 442515104 /nfs/dbraw/zinc/51/51/04/442515104.db2.gz DTMVMABWLQOAOG-UHFFFAOYSA-N 1 2 327.222 1.743 20 30 EDEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)CC(C)(CO)CO ZINC000191810025 442515106 /nfs/dbraw/zinc/51/51/06/442515106.db2.gz DTMVMABWLQOAOG-UHFFFAOYSA-N 1 2 327.222 1.743 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C(=O)OC)cc2F)CC1 ZINC000134826271 442526777 /nfs/dbraw/zinc/52/67/77/442526777.db2.gz FSVJLKAOKZWRGJ-UHFFFAOYSA-N 1 2 349.406 1.032 20 30 EDEDLO N#CC1(CS(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000180407298 442596906 /nfs/dbraw/zinc/59/69/06/442596906.db2.gz LRLVWZUNHHOYSY-UHFFFAOYSA-N 1 2 330.413 1.655 20 30 EDEDLO C=C(C)C[N@@H+](C)Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC ZINC000181244934 442686294 /nfs/dbraw/zinc/68/62/94/442686294.db2.gz CXXUREMEWPKIFL-UHFFFAOYSA-N 1 2 333.436 1.714 20 30 EDEDLO C=C(C)C[N@H+](C)Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC ZINC000181244934 442686296 /nfs/dbraw/zinc/68/62/96/442686296.db2.gz CXXUREMEWPKIFL-UHFFFAOYSA-N 1 2 333.436 1.714 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCC=CO3)CC2)cc1 ZINC000193638360 442762592 /nfs/dbraw/zinc/76/25/92/442762592.db2.gz DUDCJDMNVSQHSW-MRXNPFEDSA-N 1 2 347.440 1.557 20 30 EDEDLO COc1cc(C[NH+]2CCN(C(=O)NC[C@@H](C)C#N)CC2)cc(OC)c1 ZINC000182837127 442833384 /nfs/dbraw/zinc/83/33/84/442833384.db2.gz UHZTXHOFOFOYLG-AWEZNQCLSA-N 1 2 346.431 1.691 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000188802800 442817133 /nfs/dbraw/zinc/81/71/33/442817133.db2.gz KGVRRYNCSIWGPU-ZDUSSCGKSA-N 1 2 337.445 1.024 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1CC(C)(C)O ZINC000188802800 442817136 /nfs/dbraw/zinc/81/71/36/442817136.db2.gz KGVRRYNCSIWGPU-ZDUSSCGKSA-N 1 2 337.445 1.024 20 30 EDEDLO COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@@H](C)C#N)CC2)c1 ZINC000182848745 442835203 /nfs/dbraw/zinc/83/52/03/442835203.db2.gz GYZVUGQRJROZLZ-HNNXBMFYSA-N 1 2 346.431 1.561 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000268435793 442987976 /nfs/dbraw/zinc/98/79/76/442987976.db2.gz BYCPVUNSDGUSEN-UHFFFAOYSA-N 1 2 342.359 1.789 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000184841041 443085028 /nfs/dbraw/zinc/08/50/28/443085028.db2.gz XKJSPTDHDATYSJ-ZIAGYGMSSA-N 1 2 341.419 1.321 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000185273790 443174373 /nfs/dbraw/zinc/17/43/73/443174373.db2.gz GPCJVEYLNMNNML-LSDHHAIUSA-N 1 2 332.379 1.885 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245413619 443224387 /nfs/dbraw/zinc/22/43/87/443224387.db2.gz BOOHAPHHJYCYJR-LZWOXQAQSA-N 1 2 343.493 1.328 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245413619 443224391 /nfs/dbraw/zinc/22/43/91/443224391.db2.gz BOOHAPHHJYCYJR-LZWOXQAQSA-N 1 2 343.493 1.328 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000264306002 443259626 /nfs/dbraw/zinc/25/96/26/443259626.db2.gz XQGWWXWRVRETPE-CQSZACIVSA-N 1 2 341.415 1.710 20 30 EDEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267329994 443420851 /nfs/dbraw/zinc/42/08/51/443420851.db2.gz BPETZXBGNKIEMA-MRXNPFEDSA-N 1 2 341.459 1.866 20 30 EDEDLO C[C@@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccc(C#N)cc1 ZINC000267510621 443480956 /nfs/dbraw/zinc/48/09/56/443480956.db2.gz ZKKABIKHUSHUMQ-CYBMUJFWSA-N 1 2 343.431 1.210 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000272864024 443471487 /nfs/dbraw/zinc/47/14/87/443471487.db2.gz REPCOUOKFFYZPH-CYBMUJFWSA-N 1 2 345.490 1.251 20 30 EDEDLO COc1cc(O)c(CN(CCC#N)CC[NH+]2CCOCC2)cc1OC ZINC000271835005 443515755 /nfs/dbraw/zinc/51/57/55/443515755.db2.gz RTBIHPUFASVNNQ-UHFFFAOYSA-N 1 2 349.431 1.457 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000271830603 443515983 /nfs/dbraw/zinc/51/59/83/443515983.db2.gz WSYNDFOAXJGQDD-INIZCTEOSA-N 1 2 336.457 1.563 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC[C@H]2CCCO2)c1 ZINC000265091729 443530174 /nfs/dbraw/zinc/53/01/74/443530174.db2.gz AIQPFLZVEMIJMU-RHSMWYFYSA-N 1 2 343.427 1.222 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)NC[C@H]2CCCO2)c1 ZINC000265091729 443530178 /nfs/dbraw/zinc/53/01/78/443530178.db2.gz AIQPFLZVEMIJMU-RHSMWYFYSA-N 1 2 343.427 1.222 20 30 EDEDLO C[N@H+](CCN1CCOC(C)(C)C1)CC(=O)Nc1cccc(C#N)c1 ZINC000279743036 443626580 /nfs/dbraw/zinc/62/65/80/443626580.db2.gz PBWCYAIKLILYDG-UHFFFAOYSA-N 1 2 330.432 1.539 20 30 EDEDLO C[N@@H+](CCN1CCOC(C)(C)C1)CC(=O)Nc1cccc(C#N)c1 ZINC000279743036 443626581 /nfs/dbraw/zinc/62/65/81/443626581.db2.gz PBWCYAIKLILYDG-UHFFFAOYSA-N 1 2 330.432 1.539 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCCOCC)CC1 ZINC000283480702 443643689 /nfs/dbraw/zinc/64/36/89/443643689.db2.gz BZOWELKQRSCRCL-UHFFFAOYSA-N 1 2 342.447 1.455 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000276048926 443649993 /nfs/dbraw/zinc/64/99/93/443649993.db2.gz HZYDCMACWUKTOS-CYBMUJFWSA-N 1 2 333.392 1.216 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000276048926 443649995 /nfs/dbraw/zinc/64/99/95/443649995.db2.gz HZYDCMACWUKTOS-CYBMUJFWSA-N 1 2 333.392 1.216 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)COc2ccc(C#N)cc2)CCO1 ZINC000276359510 443690596 /nfs/dbraw/zinc/69/05/96/443690596.db2.gz RSBARZFHRZKSQL-RHSMWYFYSA-N 1 2 340.383 1.707 20 30 EDEDLO C#CCNc1nc(N[C@@H]2CCCOC2)[nH+]c(N[C@H]2CCCOC2)n1 ZINC000287162288 443737048 /nfs/dbraw/zinc/73/70/48/443737048.db2.gz GQTPXKGMVRGCMJ-BETUJISGSA-N 1 2 332.408 1.099 20 30 EDEDLO C#CCNc1nc(N[C@@H]2CCCOC2)nc(N[C@H]2CCCOC2)[nH+]1 ZINC000287162288 443737052 /nfs/dbraw/zinc/73/70/52/443737052.db2.gz GQTPXKGMVRGCMJ-BETUJISGSA-N 1 2 332.408 1.099 20 30 EDEDLO C#CCNc1nc(N[C@H]2CCCOC2)nc(N[C@@H]2CCCOC2)[nH+]1 ZINC000287162288 443737057 /nfs/dbraw/zinc/73/70/57/443737057.db2.gz GQTPXKGMVRGCMJ-BETUJISGSA-N 1 2 332.408 1.099 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000298293279 443739931 /nfs/dbraw/zinc/73/99/31/443739931.db2.gz XSAJEOVHLCDNFG-HNNXBMFYSA-N 1 2 347.434 1.893 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000298293279 443739937 /nfs/dbraw/zinc/73/99/37/443739937.db2.gz XSAJEOVHLCDNFG-HNNXBMFYSA-N 1 2 347.434 1.893 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C(=O)OC)C2CC2)c(OC)c1 ZINC000284849554 443790455 /nfs/dbraw/zinc/79/04/55/443790455.db2.gz COUOFHDKSARDFF-MAUKXSAKSA-N 1 2 349.427 1.705 20 30 EDEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000283873357 443751097 /nfs/dbraw/zinc/75/10/97/443751097.db2.gz LAEUTMLIGCBLBY-MRXNPFEDSA-N 1 2 340.427 1.645 20 30 EDEDLO CCOc1cccc(/C=[NH+]/C[C@H]2CCn3ncc(C(N)=O)c3C2)c1O ZINC000280847358 443757638 /nfs/dbraw/zinc/75/76/38/443757638.db2.gz BGHGYDNUBRPUOG-QDBSGRMGSA-N 1 2 342.399 1.768 20 30 EDEDLO C=CCCCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000283908307 443757684 /nfs/dbraw/zinc/75/76/84/443757684.db2.gz DMNOVOZKIPMOPN-UHFFFAOYSA-N 1 2 346.431 1.007 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000291591395 443762961 /nfs/dbraw/zinc/76/29/61/443762961.db2.gz HNHCZDAATVGRRI-JQHSSLGASA-N 1 2 342.443 1.656 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@H]2CCCc3occc32)CC1 ZINC000284212075 443769742 /nfs/dbraw/zinc/76/97/42/443769742.db2.gz SSQQLMZQBYBOLD-AWEZNQCLSA-N 1 2 344.415 1.220 20 30 EDEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H]2CCn3ncc(C(N)=O)c3C2)c1 ZINC000280904213 443771131 /nfs/dbraw/zinc/77/11/31/443771131.db2.gz GANXBZOBRYYWAK-QDBSGRMGSA-N 1 2 342.399 1.768 20 30 EDEDLO NC(=[NH+]OCC(=O)Nc1ccccc1OC(F)F)[C@@H]1CCCO1 ZINC000284408260 443774578 /nfs/dbraw/zinc/77/45/78/443774578.db2.gz NKKHYLNQYZBIIP-NSHDSACASA-N 1 2 329.303 1.694 20 30 EDEDLO C=CCN(C)C(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000284441504 443776095 /nfs/dbraw/zinc/77/60/95/443776095.db2.gz LPPNUCZUZZDJHF-UHFFFAOYSA-N 1 2 330.432 1.723 20 30 EDEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)NCc1ccccc1Cl ZINC000284546909 443779297 /nfs/dbraw/zinc/77/92/97/443779297.db2.gz VSQXHMTZFDXJAM-ZWNOBZJWSA-N 1 2 325.796 1.813 20 30 EDEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292670778 443813957 /nfs/dbraw/zinc/81/39/57/443813957.db2.gz BCEXMDYSCHWJAT-SFHVURJKSA-N 1 2 335.423 1.277 20 30 EDEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292670778 443813960 /nfs/dbraw/zinc/81/39/60/443813960.db2.gz BCEXMDYSCHWJAT-SFHVURJKSA-N 1 2 335.423 1.277 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292670778 443813963 /nfs/dbraw/zinc/81/39/63/443813963.db2.gz BCEXMDYSCHWJAT-SFHVURJKSA-N 1 2 335.423 1.277 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)c1ccc(C#N)[nH]1 ZINC000281133848 443828435 /nfs/dbraw/zinc/82/84/35/443828435.db2.gz GYESHSBIJWZIHW-JSGCOSHPSA-N 1 2 344.394 1.304 20 30 EDEDLO N#CCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000281138094 443829241 /nfs/dbraw/zinc/82/92/41/443829241.db2.gz YFKKHKPRZBZICT-SJORKVTESA-N 1 2 328.416 1.585 20 30 EDEDLO N#CCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000281138094 443829246 /nfs/dbraw/zinc/82/92/46/443829246.db2.gz YFKKHKPRZBZICT-SJORKVTESA-N 1 2 328.416 1.585 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)C1=O ZINC000281360860 443890486 /nfs/dbraw/zinc/89/04/86/443890486.db2.gz NUEUTEJHLRGPBO-UONOGXRCSA-N 1 2 344.440 1.444 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)C1=O ZINC000281360860 443890488 /nfs/dbraw/zinc/89/04/88/443890488.db2.gz NUEUTEJHLRGPBO-UONOGXRCSA-N 1 2 344.440 1.444 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)C1=O ZINC000281386112 443896350 /nfs/dbraw/zinc/89/63/50/443896350.db2.gz PLPKNQAHNRAJNQ-INIZCTEOSA-N 1 2 333.407 1.503 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)C1=O ZINC000281386112 443896355 /nfs/dbraw/zinc/89/63/55/443896355.db2.gz PLPKNQAHNRAJNQ-INIZCTEOSA-N 1 2 333.407 1.503 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC(=O)Nc2ccccc2)C1=O ZINC000281397358 443899348 /nfs/dbraw/zinc/89/93/48/443899348.db2.gz QHFPXRBYXMWLSU-UKRRQHHQSA-N 1 2 344.415 1.442 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC(=O)Nc2ccccc2)C1=O ZINC000281397358 443899350 /nfs/dbraw/zinc/89/93/50/443899350.db2.gz QHFPXRBYXMWLSU-UKRRQHHQSA-N 1 2 344.415 1.442 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1=O ZINC000281643989 443968340 /nfs/dbraw/zinc/96/83/40/443968340.db2.gz HPTCDGDFUNHTQP-AWEZNQCLSA-N 1 2 325.372 1.126 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000277383083 443972418 /nfs/dbraw/zinc/97/24/18/443972418.db2.gz JWCNIZPKTATBEA-INIZCTEOSA-N 1 2 330.453 1.900 20 30 EDEDLO C=CCSCCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000285583525 444036905 /nfs/dbraw/zinc/03/69/05/444036905.db2.gz RWPDTHJIGVIREQ-UHFFFAOYSA-N 1 2 332.429 1.294 20 30 EDEDLO N#Cc1ccc(CN2CC[C@H](NC(=O)CCn3cc[nH+]c3)C2=O)cc1 ZINC000277832585 444048150 /nfs/dbraw/zinc/04/81/50/444048150.db2.gz MIPLQHRVLFRNPZ-INIZCTEOSA-N 1 2 337.383 1.062 20 30 EDEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000285517507 444013336 /nfs/dbraw/zinc/01/33/36/444013336.db2.gz GLFSCQUIMHHMDA-AWEZNQCLSA-N 1 2 325.409 1.553 20 30 EDEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000285517507 444013341 /nfs/dbraw/zinc/01/33/41/444013341.db2.gz GLFSCQUIMHHMDA-AWEZNQCLSA-N 1 2 325.409 1.553 20 30 EDEDLO CO[C@H](C)CS(=O)(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000281838926 444019110 /nfs/dbraw/zinc/01/91/10/444019110.db2.gz SSYAXQYZXHIOGV-CQSZACIVSA-N 1 2 337.445 1.041 20 30 EDEDLO C=CCN1CC[C@@H](N(C)c2cc(N3CCSCC3)[nH+]cn2)C1=O ZINC000282055078 444073598 /nfs/dbraw/zinc/07/35/98/444073598.db2.gz ZPZLAOPYPJBOKB-CYBMUJFWSA-N 1 2 333.461 1.253 20 30 EDEDLO C=CCN1CC[C@@H](N(C)c2cc(N3CCSCC3)nc[nH+]2)C1=O ZINC000282055078 444073599 /nfs/dbraw/zinc/07/35/99/444073599.db2.gz ZPZLAOPYPJBOKB-CYBMUJFWSA-N 1 2 333.461 1.253 20 30 EDEDLO COC[C@@H]1CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000293677984 444084117 /nfs/dbraw/zinc/08/41/17/444084117.db2.gz VFEUHXRUPWEVGU-HNNXBMFYSA-N 1 2 340.345 1.894 20 30 EDEDLO COC[C@@H]1CC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000293677984 444084119 /nfs/dbraw/zinc/08/41/19/444084119.db2.gz VFEUHXRUPWEVGU-HNNXBMFYSA-N 1 2 340.345 1.894 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](CCO)Cc2ccc(OC)cc2OC)C1=O ZINC000282120824 444091734 /nfs/dbraw/zinc/09/17/34/444091734.db2.gz XTQYIDWEHKXBKR-INIZCTEOSA-N 1 2 334.416 1.285 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](CCO)Cc2ccc(OC)cc2OC)C1=O ZINC000282120824 444091736 /nfs/dbraw/zinc/09/17/36/444091736.db2.gz XTQYIDWEHKXBKR-INIZCTEOSA-N 1 2 334.416 1.285 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1cccc(OCC#N)c1 ZINC000285739507 444092231 /nfs/dbraw/zinc/09/22/31/444092231.db2.gz JIAYLQHZHCCPEE-DOTOQJQBSA-N 1 2 343.427 1.453 20 30 EDEDLO N#Cc1ccc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)s1 ZINC000565311887 321181022 /nfs/dbraw/zinc/18/10/22/321181022.db2.gz KZEABKGYYAQXLM-QWHCGFSZSA-N 1 2 340.470 1.788 20 30 EDEDLO N#Cc1ccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)s1 ZINC000565311887 321181023 /nfs/dbraw/zinc/18/10/23/321181023.db2.gz KZEABKGYYAQXLM-QWHCGFSZSA-N 1 2 340.470 1.788 20 30 EDEDLO C#CCNC(=O)CC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000294036368 444099888 /nfs/dbraw/zinc/09/98/88/444099888.db2.gz ILIJJRFKUVXNAB-UHFFFAOYSA-N 1 2 337.217 1.783 20 30 EDEDLO C#CCNC(=O)CC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000294036368 444099891 /nfs/dbraw/zinc/09/98/91/444099891.db2.gz ILIJJRFKUVXNAB-UHFFFAOYSA-N 1 2 337.217 1.783 20 30 EDEDLO C=CCn1c(C)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000282236724 444123186 /nfs/dbraw/zinc/12/31/86/444123186.db2.gz JSVLAYDIDSHTSS-OAHLLOKOSA-N 1 2 346.479 1.296 20 30 EDEDLO CCc1cc(N)nc(SCCS(=O)(=O)c2ccc(C#N)cn2)[nH+]1 ZINC000289785486 444203277 /nfs/dbraw/zinc/20/32/77/444203277.db2.gz XGTNXXIDXXGLND-UHFFFAOYSA-N 1 2 349.441 1.454 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000297686727 444318685 /nfs/dbraw/zinc/31/86/85/444318685.db2.gz BSSMBHPMTAGJSL-UHFFFAOYSA-N 1 2 329.444 1.674 20 30 EDEDLO C[C@H](NC(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)C(=O)N1CCCCC1 ZINC000328791304 444353641 /nfs/dbraw/zinc/35/36/41/444353641.db2.gz ZFSSHJAEWDGBRZ-ARFHVFGLSA-N 1 2 337.464 1.987 20 30 EDEDLO C[C@H](NC(=O)C[N@H+]1CCO[C@@H]2CCCC[C@H]21)C(=O)N1CCCCC1 ZINC000328791304 444353644 /nfs/dbraw/zinc/35/36/44/444353644.db2.gz ZFSSHJAEWDGBRZ-ARFHVFGLSA-N 1 2 337.464 1.987 20 30 EDEDLO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000326390833 444374792 /nfs/dbraw/zinc/37/47/92/444374792.db2.gz JLYKGECINHVXCP-RDJZCZTQSA-N 1 2 347.484 1.891 20 30 EDEDLO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000326390833 444374794 /nfs/dbraw/zinc/37/47/94/444374794.db2.gz JLYKGECINHVXCP-RDJZCZTQSA-N 1 2 347.484 1.891 20 30 EDEDLO C=CCn1c([C@H]2OCC[C@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000337822778 444424452 /nfs/dbraw/zinc/42/44/52/444424452.db2.gz SXTFVIGBZCVJMX-CABCVRRESA-N 1 2 335.452 1.330 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000340456041 444387768 /nfs/dbraw/zinc/38/77/68/444387768.db2.gz UBTZAXAURFKENL-UHFFFAOYSA-N 1 2 326.400 1.582 20 30 EDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC(N2CCCC2=O)CC1 ZINC000328619264 444396892 /nfs/dbraw/zinc/39/68/92/444396892.db2.gz VVBBQPYCBYQNDW-AWEZNQCLSA-N 1 2 345.447 1.761 20 30 EDEDLO O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328907892 444397394 /nfs/dbraw/zinc/39/73/94/444397394.db2.gz CMMPWOQRLBYUSM-HNNXBMFYSA-N 1 2 341.415 1.834 20 30 EDEDLO CCn1ccnc(N2CCC(NC(=O)c3c[nH+]c(C)[nH]3)CC2)c1=O ZINC000328628082 444401322 /nfs/dbraw/zinc/40/13/22/444401322.db2.gz GYIPORHSBHMXEE-UHFFFAOYSA-N 1 2 330.392 1.268 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H]1c1nncn1C)CCC2 ZINC000329015412 444446292 /nfs/dbraw/zinc/44/62/92/444446292.db2.gz QAULUOBGKSDCFM-UONOGXRCSA-N 1 2 343.435 1.949 20 30 EDEDLO Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC(=O)N1C ZINC000329044002 444456376 /nfs/dbraw/zinc/45/63/76/444456376.db2.gz JAVJWEXRERQTNK-HWWQOWPSSA-N 1 2 342.403 1.108 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000337967995 444475098 /nfs/dbraw/zinc/47/50/98/444475098.db2.gz UTKIFJBRVPUBNQ-CYBMUJFWSA-N 1 2 347.444 1.715 20 30 EDEDLO O=C(C[N@@H+]1CCO[C@]2(CCCOC2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000329065544 444462712 /nfs/dbraw/zinc/46/27/12/444462712.db2.gz KXBGYPMWHJOBDD-QFBILLFUSA-N 1 2 346.427 1.828 20 30 EDEDLO O=C(C[N@H+]1CCO[C@]2(CCCOC2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000329065544 444462715 /nfs/dbraw/zinc/46/27/15/444462715.db2.gz KXBGYPMWHJOBDD-QFBILLFUSA-N 1 2 346.427 1.828 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2cnns2)CCC(=O)N1C1CC1 ZINC000329085317 444468011 /nfs/dbraw/zinc/46/80/11/444468011.db2.gz UDGZJAXJZGVSBC-QMTHXVAHSA-N 1 2 346.416 1.471 20 30 EDEDLO CC(C)N1CC[C@H]([N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1=O ZINC000328681922 444428057 /nfs/dbraw/zinc/42/80/57/444428057.db2.gz OLAPZFBHZYKZAN-IYJAJMOOSA-N 1 2 338.411 1.991 20 30 EDEDLO CC(C)N1CC[C@H]([N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1=O ZINC000328681922 444428061 /nfs/dbraw/zinc/42/80/61/444428061.db2.gz OLAPZFBHZYKZAN-IYJAJMOOSA-N 1 2 338.411 1.991 20 30 EDEDLO CC(C)(CNC(=O)Nc1ccn(CC(F)F)n1)[NH+]1CCOCC1 ZINC000331183554 444435180 /nfs/dbraw/zinc/43/51/80/444435180.db2.gz SNCPVPBDSYXXNG-UHFFFAOYSA-N 1 2 331.367 1.585 20 30 EDEDLO O=C(NC[C@@H]1COCCO1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000329167451 444489678 /nfs/dbraw/zinc/48/96/78/444489678.db2.gz IHXUHYRLJVMMEO-MRXNPFEDSA-N 1 2 337.395 1.273 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCO[C@@H](C#N)C1)C2 ZINC000329271677 444518226 /nfs/dbraw/zinc/51/82/26/444518226.db2.gz JJIZTMFPXFYVGJ-STQMWFEESA-N 1 2 331.420 1.634 20 30 EDEDLO Cn1cc([C@@H]2CCCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)cn1 ZINC000342130967 444525149 /nfs/dbraw/zinc/52/51/49/444525149.db2.gz PMEYIPRGISYLAZ-INIZCTEOSA-N 1 2 328.420 1.603 20 30 EDEDLO Cn1cc([C@@H]2CCCC[N@H+]2CC(=O)N(CCC#N)CCC#N)cn1 ZINC000342130967 444525151 /nfs/dbraw/zinc/52/51/51/444525151.db2.gz PMEYIPRGISYLAZ-INIZCTEOSA-N 1 2 328.420 1.603 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCO)Cc1ccccc1OC ZINC000343698101 444527546 /nfs/dbraw/zinc/52/75/46/444527546.db2.gz AELGAZQTFYTKHD-OAHLLOKOSA-N 1 2 333.432 1.498 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCO)Cc1ccccc1OC ZINC000343698101 444527550 /nfs/dbraw/zinc/52/75/50/444527550.db2.gz AELGAZQTFYTKHD-OAHLLOKOSA-N 1 2 333.432 1.498 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340911168 444571205 /nfs/dbraw/zinc/57/12/05/444571205.db2.gz OVJGWINEGYGLAG-DOMZBBRYSA-N 1 2 348.447 1.407 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340911168 444571210 /nfs/dbraw/zinc/57/12/10/444571210.db2.gz OVJGWINEGYGLAG-DOMZBBRYSA-N 1 2 348.447 1.407 20 30 EDEDLO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000340916145 444573836 /nfs/dbraw/zinc/57/38/36/444573836.db2.gz ISBYKRHHMCJUMD-SWLSCSKDSA-N 1 2 325.372 1.138 20 30 EDEDLO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000340916145 444573840 /nfs/dbraw/zinc/57/38/40/444573840.db2.gz ISBYKRHHMCJUMD-SWLSCSKDSA-N 1 2 325.372 1.138 20 30 EDEDLO Cc1nc2n(n1)C[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)CC2 ZINC000329436825 444578303 /nfs/dbraw/zinc/57/83/03/444578303.db2.gz MANVADFRIYGJAD-LBPRGKRZSA-N 1 2 327.379 1.835 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCCCC#N)c[nH+]2)C[C@H](C)O1 ZINC000343787673 444591317 /nfs/dbraw/zinc/59/13/17/444591317.db2.gz ANUKFJAWVPXWTG-OKILXGFUSA-N 1 2 331.420 1.798 20 30 EDEDLO O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CCn2cc[nH+]c2C1 ZINC000329528415 444616382 /nfs/dbraw/zinc/61/63/82/444616382.db2.gz UQWRJNYKODSZGR-CQSZACIVSA-N 1 2 346.435 1.293 20 30 EDEDLO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[C@@H]1CCCOC1 ZINC000329535564 444618887 /nfs/dbraw/zinc/61/88/87/444618887.db2.gz ZMXQEQRPRVKQQQ-ARFHVFGLSA-N 1 2 325.453 1.512 20 30 EDEDLO C[C@@H]1C[C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000329542717 444621323 /nfs/dbraw/zinc/62/13/23/444621323.db2.gz DYJCLSNJPCOZJH-PMPSAXMXSA-N 1 2 325.453 1.512 20 30 EDEDLO CC(C)(C)n1cnc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000329762986 444707407 /nfs/dbraw/zinc/70/74/07/444707407.db2.gz TYUDIFFFJYBGLI-UHFFFAOYSA-N 1 2 343.435 2.423 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000329765411 444708550 /nfs/dbraw/zinc/70/85/50/444708550.db2.gz WYYYZLYSVOQLSG-OLZOCXBDSA-N 1 2 340.449 1.818 20 30 EDEDLO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCS(=O)(=O)C1 ZINC000329720143 444691745 /nfs/dbraw/zinc/69/17/45/444691745.db2.gz BNSAAVZMSJOQSC-ZDUSSCGKSA-N 1 2 330.450 1.165 20 30 EDEDLO C[C@H](C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N)[NH+]1CCSCC1 ZINC000329844645 444737997 /nfs/dbraw/zinc/73/79/97/444737997.db2.gz LKHDHUHBYHMMEG-BFYDXBDKSA-N 1 2 337.489 1.878 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(N4CCCC4=O)c3)C[C@H]21 ZINC000329915221 444767272 /nfs/dbraw/zinc/76/72/72/444767272.db2.gz CZSOLUUHRDERJN-HZPDHXFCSA-N 1 2 344.415 1.374 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(N4CCCC4=O)c3)C[C@H]21 ZINC000329915221 444767274 /nfs/dbraw/zinc/76/72/74/444767274.db2.gz CZSOLUUHRDERJN-HZPDHXFCSA-N 1 2 344.415 1.374 20 30 EDEDLO CC1CC(NC(=O)N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)C1 ZINC000329925754 444772357 /nfs/dbraw/zinc/77/23/57/444772357.db2.gz VRSAUAWVSJSZNA-LVBITLCTSA-N 1 2 337.443 1.977 20 30 EDEDLO CC1CC(NC(=O)N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)C1 ZINC000329925754 444772360 /nfs/dbraw/zinc/77/23/60/444772360.db2.gz VRSAUAWVSJSZNA-LVBITLCTSA-N 1 2 337.443 1.977 20 30 EDEDLO O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H]1CC[S@@](=O)C1 ZINC000329994496 444803773 /nfs/dbraw/zinc/80/37/73/444803773.db2.gz MGVJILRRXKTSIV-QKVFXAPYSA-N 1 2 327.475 1.131 20 30 EDEDLO O=C(NCC[N@H+]1CCc2sccc2C1)N[C@H]1CC[S@@](=O)C1 ZINC000329994496 444803777 /nfs/dbraw/zinc/80/37/77/444803777.db2.gz MGVJILRRXKTSIV-QKVFXAPYSA-N 1 2 327.475 1.131 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000336896345 444839425 /nfs/dbraw/zinc/83/94/25/444839425.db2.gz NNPOMYHUMHPVEV-KGLIPLIRSA-N 1 2 325.438 1.246 20 30 EDEDLO CC[S@](=O)[C@@H]1CCC[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330169456 444871736 /nfs/dbraw/zinc/87/17/36/444871736.db2.gz BLASDZQHAPECAY-QTLPULKOSA-N 1 2 338.477 1.781 20 30 EDEDLO CC[S@](=O)[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330169456 444871740 /nfs/dbraw/zinc/87/17/40/444871740.db2.gz BLASDZQHAPECAY-QTLPULKOSA-N 1 2 338.477 1.781 20 30 EDEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2nnn(C)n2)CC1 ZINC000330248682 444906301 /nfs/dbraw/zinc/90/63/01/444906301.db2.gz ZKHFZHIBXADIRX-LLVKDONJSA-N 1 2 335.437 1.064 20 30 EDEDLO C[C@H](CC#N)NC(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000344404752 444944826 /nfs/dbraw/zinc/94/48/26/444944826.db2.gz KOJYLGIZVDVRER-PVXIVEMSSA-N 1 2 329.404 1.281 20 30 EDEDLO C=CCOCC(=O)N1CCC[C@H](c2n[nH]cc2C[NH+]2CCOCC2)C1 ZINC000342949660 444960940 /nfs/dbraw/zinc/96/09/40/444960940.db2.gz FKXRADZTAOYZKJ-HNNXBMFYSA-N 1 2 348.447 1.151 20 30 EDEDLO N#Cc1ccnc(NC[C@]2([NH+]3CCOCC3)CCSC2)c1Cl ZINC000341839421 445027282 /nfs/dbraw/zinc/02/72/82/445027282.db2.gz KKBULRDEXJKCGB-OAHLLOKOSA-N 1 2 338.864 2.226 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000341894979 445058290 /nfs/dbraw/zinc/05/82/90/445058290.db2.gz VEUBNYIOFIKZTK-CQSZACIVSA-N 1 2 331.416 1.553 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000339157617 445063251 /nfs/dbraw/zinc/06/32/51/445063251.db2.gz LSBOQTRGDNCWKF-FMKPAKJESA-N 1 2 343.493 1.186 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000339157617 445063255 /nfs/dbraw/zinc/06/32/55/445063255.db2.gz LSBOQTRGDNCWKF-FMKPAKJESA-N 1 2 343.493 1.186 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337410093 445067350 /nfs/dbraw/zinc/06/73/50/445067350.db2.gz OPWBNEMDTRIBEA-CABCVRRESA-N 1 2 328.478 1.475 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337410093 445067355 /nfs/dbraw/zinc/06/73/55/445067355.db2.gz OPWBNEMDTRIBEA-CABCVRRESA-N 1 2 328.478 1.475 20 30 EDEDLO CNC(=O)C[NH+]1CCC(NC(=O)c2c(F)ccc(O)c2F)CC1 ZINC000330651466 445079700 /nfs/dbraw/zinc/07/97/00/445079700.db2.gz IEPCDLOVDPWPOS-UHFFFAOYSA-N 1 2 327.331 1.185 20 30 EDEDLO Cc1cc(C)n([C@@H](C)C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000343063149 445036134 /nfs/dbraw/zinc/03/61/34/445036134.db2.gz GEABAXBAFRNNPQ-INIZCTEOSA-N 1 2 333.436 1.135 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000339110622 445036954 /nfs/dbraw/zinc/03/69/54/445036954.db2.gz PZHJJTXGANKRPG-UHFFFAOYSA-N 1 2 337.427 1.993 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000339110622 445036958 /nfs/dbraw/zinc/03/69/58/445036958.db2.gz PZHJJTXGANKRPG-UHFFFAOYSA-N 1 2 337.427 1.993 20 30 EDEDLO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)CC(=O)N(CCC#N)CCC#N ZINC000342046210 445142486 /nfs/dbraw/zinc/14/24/86/445142486.db2.gz QOBYDTZEOVOBEG-HNNXBMFYSA-N 1 2 341.415 1.191 20 30 EDEDLO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)CC(=O)N(CCC#N)CCC#N ZINC000342046210 445142488 /nfs/dbraw/zinc/14/24/88/445142488.db2.gz QOBYDTZEOVOBEG-HNNXBMFYSA-N 1 2 341.415 1.191 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@@H](C#N)[C@@H](c2ccccc2)C1 ZINC000346387750 445213513 /nfs/dbraw/zinc/21/35/13/445213513.db2.gz SLTRZELFQFMXCM-IAGOWNOFSA-N 1 2 342.443 1.209 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@@H](C#N)[C@@H](c2ccccc2)C1 ZINC000346387750 445213514 /nfs/dbraw/zinc/21/35/14/445213514.db2.gz SLTRZELFQFMXCM-IAGOWNOFSA-N 1 2 342.443 1.209 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(C(=O)NC)CC1 ZINC000346494989 445217038 /nfs/dbraw/zinc/21/70/38/445217038.db2.gz IZPAQOYFVOOYRW-MRXNPFEDSA-N 1 2 333.432 1.112 20 30 EDEDLO CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000330933340 445196811 /nfs/dbraw/zinc/19/68/11/445196811.db2.gz CKBKUGGFNXLINJ-OAHLLOKOSA-N 1 2 347.463 1.894 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCSC[C@H]1CCO)c1ccccc1 ZINC000347363213 445236868 /nfs/dbraw/zinc/23/68/68/445236868.db2.gz AZLSLOJUXJQYSM-MRXNPFEDSA-N 1 2 333.457 1.733 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCSC[C@H]1CCO)c1ccccc1 ZINC000347363213 445236869 /nfs/dbraw/zinc/23/68/69/445236869.db2.gz AZLSLOJUXJQYSM-MRXNPFEDSA-N 1 2 333.457 1.733 20 30 EDEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000348310942 445252419 /nfs/dbraw/zinc/25/24/19/445252419.db2.gz XANCQTWOTUPSQQ-CVEARBPZSA-N 1 2 332.835 1.801 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000354676732 445336715 /nfs/dbraw/zinc/33/67/15/445336715.db2.gz IEWMHPJINORZSH-HIFRSBDPSA-N 1 2 328.416 1.876 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000354676732 445336717 /nfs/dbraw/zinc/33/67/17/445336717.db2.gz IEWMHPJINORZSH-HIFRSBDPSA-N 1 2 328.416 1.876 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000351970989 445408494 /nfs/dbraw/zinc/40/84/94/445408494.db2.gz MXGGGUGJTPJDGD-HNNXBMFYSA-N 1 2 346.431 1.884 20 30 EDEDLO N#Cc1cc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)ccn1 ZINC000357175766 445468119 /nfs/dbraw/zinc/46/81/19/445468119.db2.gz YGROXRULFPUJEK-UHFFFAOYSA-N 1 2 335.367 1.049 20 30 EDEDLO N#Cc1cc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)ccn1 ZINC000357175766 445468121 /nfs/dbraw/zinc/46/81/21/445468121.db2.gz YGROXRULFPUJEK-UHFFFAOYSA-N 1 2 335.367 1.049 20 30 EDEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000360029886 445536984 /nfs/dbraw/zinc/53/69/84/445536984.db2.gz SEWXZYPFTLJUIF-RYUDHWBXSA-N 1 2 325.409 1.552 20 30 EDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000360029886 445536989 /nfs/dbraw/zinc/53/69/89/445536989.db2.gz SEWXZYPFTLJUIF-RYUDHWBXSA-N 1 2 325.409 1.552 20 30 EDEDLO COCCOc1ccc(CNC(=O)C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352484666 445533091 /nfs/dbraw/zinc/53/30/91/445533091.db2.gz RZGDUBDLNUYMJF-UHFFFAOYSA-N 1 2 349.406 1.656 20 30 EDEDLO C=C(C)C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(CO)o1 ZINC000352813909 445556901 /nfs/dbraw/zinc/55/69/01/445556901.db2.gz DNNOFTUGRWRLBF-SFHVURJKSA-N 1 2 331.416 1.958 20 30 EDEDLO C=C(C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(CO)o1 ZINC000352813909 445556904 /nfs/dbraw/zinc/55/69/04/445556904.db2.gz DNNOFTUGRWRLBF-SFHVURJKSA-N 1 2 331.416 1.958 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(C#N)ccn3)CC2)cc1 ZINC000349389603 445577641 /nfs/dbraw/zinc/57/76/41/445577641.db2.gz ZPRUNFQCUXLJAT-UHFFFAOYSA-N 1 2 331.379 1.783 20 30 EDEDLO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)N1CCCCCC1 ZINC000353172288 445579245 /nfs/dbraw/zinc/57/92/45/445579245.db2.gz NLUVLWJDKVPVNV-SFHVURJKSA-N 1 2 334.464 1.519 20 30 EDEDLO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(=O)N1CCCCCC1 ZINC000353172288 445579247 /nfs/dbraw/zinc/57/92/47/445579247.db2.gz NLUVLWJDKVPVNV-SFHVURJKSA-N 1 2 334.464 1.519 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)NCc1cccs1 ZINC000353269728 445584809 /nfs/dbraw/zinc/58/48/09/445584809.db2.gz CEZKPYZSQCOAKT-INIZCTEOSA-N 1 2 336.461 1.351 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000353269728 445584812 /nfs/dbraw/zinc/58/48/12/445584812.db2.gz CEZKPYZSQCOAKT-INIZCTEOSA-N 1 2 336.461 1.351 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)C1CC1 ZINC000352669801 445547042 /nfs/dbraw/zinc/54/70/42/445547042.db2.gz BSRKXUPOVAETRX-SCDSUCTJSA-N 1 2 333.354 1.288 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)C1CC1 ZINC000352669801 445547049 /nfs/dbraw/zinc/54/70/49/445547049.db2.gz BSRKXUPOVAETRX-SCDSUCTJSA-N 1 2 333.354 1.288 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000360060512 445548934 /nfs/dbraw/zinc/54/89/34/445548934.db2.gz MUOLDFRQKJIQEL-UHFFFAOYSA-N 1 2 339.380 1.617 20 30 EDEDLO Cc1cc(C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)ccc1C#N ZINC000362935575 445615920 /nfs/dbraw/zinc/61/59/20/445615920.db2.gz QGZVVAVYEKGGBB-UHFFFAOYSA-N 1 2 340.427 1.133 20 30 EDEDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3cc(C#N)cn3C)CC2)oc1C ZINC000363119895 445686147 /nfs/dbraw/zinc/68/61/47/445686147.db2.gz LHNCQYBRXPPFIR-UHFFFAOYSA-N 1 2 341.415 1.850 20 30 EDEDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cc(C#N)cn3C)CC2)oc1C ZINC000363119895 445686149 /nfs/dbraw/zinc/68/61/49/445686149.db2.gz LHNCQYBRXPPFIR-UHFFFAOYSA-N 1 2 341.415 1.850 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000353651033 445693012 /nfs/dbraw/zinc/69/30/12/445693012.db2.gz BGGUQEZIHLKYPR-IBGZPJMESA-N 1 2 335.407 1.766 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000353651033 445693013 /nfs/dbraw/zinc/69/30/13/445693013.db2.gz BGGUQEZIHLKYPR-IBGZPJMESA-N 1 2 335.407 1.766 20 30 EDEDLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349849212 445697994 /nfs/dbraw/zinc/69/79/94/445697994.db2.gz BQRORTJAAYHGME-HIFRSBDPSA-N 1 2 346.479 1.416 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1C#N ZINC000349871003 445705718 /nfs/dbraw/zinc/70/57/18/445705718.db2.gz ADEVOOCEBDAACQ-UHFFFAOYSA-N 1 2 338.390 1.933 20 30 EDEDLO Cc1nc(NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc[nH+]1 ZINC000360516328 445712017 /nfs/dbraw/zinc/71/20/17/445712017.db2.gz DVPKGEINDLPYOZ-UHFFFAOYSA-N 1 2 333.399 2.469 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000356330929 445738017 /nfs/dbraw/zinc/73/80/17/445738017.db2.gz CETUWUCBSWXMJX-GUYCJALGSA-N 1 2 339.436 1.085 20 30 EDEDLO Cn1cc(C[NH2+]Cc2cc(C(N)=O)no2)c(-c2ccc(C#N)cc2)n1 ZINC000350391329 445821009 /nfs/dbraw/zinc/82/10/09/445821009.db2.gz LZJDFHPGJXVOGP-UHFFFAOYSA-N 1 2 336.355 1.335 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1C ZINC000363382141 445782601 /nfs/dbraw/zinc/78/26/01/445782601.db2.gz PYVBKZXSORKMFX-MRXNPFEDSA-N 1 2 344.459 1.963 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1C ZINC000363382141 445782606 /nfs/dbraw/zinc/78/26/06/445782606.db2.gz PYVBKZXSORKMFX-MRXNPFEDSA-N 1 2 344.459 1.963 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000361771343 445930713 /nfs/dbraw/zinc/93/07/13/445930713.db2.gz OQLWDLUJRUZXEF-AWEZNQCLSA-N 1 2 334.416 1.711 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000361771343 445930720 /nfs/dbraw/zinc/93/07/20/445930720.db2.gz OQLWDLUJRUZXEF-AWEZNQCLSA-N 1 2 334.416 1.711 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000364551225 445930844 /nfs/dbraw/zinc/93/08/44/445930844.db2.gz TZYOXWXCMMKZMC-UHFFFAOYSA-N 1 2 332.448 1.587 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000364551225 445930851 /nfs/dbraw/zinc/93/08/51/445930851.db2.gz TZYOXWXCMMKZMC-UHFFFAOYSA-N 1 2 332.448 1.587 20 30 EDEDLO C[C@H]1CN(C(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)C[C@H](C)O1 ZINC000369205316 445993017 /nfs/dbraw/zinc/99/30/17/445993017.db2.gz JEGLZJCKKUVXDB-HOTGVXAUSA-N 1 2 342.443 1.575 20 30 EDEDLO C#CCOCCC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000364713810 445948255 /nfs/dbraw/zinc/94/82/55/445948255.db2.gz XANFZTJLZWDLHK-INIZCTEOSA-N 1 2 343.427 1.701 20 30 EDEDLO Cc1cc(S(=O)(=O)N2CC[C@H](c3[nH+]ccn3C)C2)ccc1C#N ZINC000365228943 446089829 /nfs/dbraw/zinc/08/98/29/446089829.db2.gz MKYYDVNUKXRPDQ-AWEZNQCLSA-N 1 2 330.413 1.778 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000366220916 446089928 /nfs/dbraw/zinc/08/99/28/446089928.db2.gz GRXMXDBVBGYUPJ-DLBZAZTESA-N 1 2 349.456 1.480 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2OC)C[C@H]1C ZINC000361962931 446110568 /nfs/dbraw/zinc/11/05/68/446110568.db2.gz RIORWZPGCPHSCV-CHWSQXEVSA-N 1 2 337.445 1.670 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2OC)C[C@H]1C ZINC000361962931 446110572 /nfs/dbraw/zinc/11/05/72/446110572.db2.gz RIORWZPGCPHSCV-CHWSQXEVSA-N 1 2 337.445 1.670 20 30 EDEDLO CCCn1nc2c(cc1=O)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000365394752 446184941 /nfs/dbraw/zinc/18/49/41/446184941.db2.gz RZOHAQATPSHSFL-GOSISDBHSA-N 1 2 345.447 1.066 20 30 EDEDLO CCCn1nc2c(cc1=O)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2 ZINC000365394752 446184946 /nfs/dbraw/zinc/18/49/46/446184946.db2.gz RZOHAQATPSHSFL-GOSISDBHSA-N 1 2 345.447 1.066 20 30 EDEDLO C[C@@H]1COCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000374356570 446365780 /nfs/dbraw/zinc/36/57/80/446365780.db2.gz HMHCKKQREYZVDL-AWEZNQCLSA-N 1 2 339.399 1.651 20 30 EDEDLO C[C@@H]1COCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000374356570 446365785 /nfs/dbraw/zinc/36/57/85/446365785.db2.gz HMHCKKQREYZVDL-AWEZNQCLSA-N 1 2 339.399 1.651 20 30 EDEDLO C#CCCCC(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000365842417 446365992 /nfs/dbraw/zinc/36/59/92/446365992.db2.gz BVAOPGXKSLYVBU-HNNXBMFYSA-N 1 2 338.448 1.291 20 30 EDEDLO C#CCCCC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000365842417 446365997 /nfs/dbraw/zinc/36/59/97/446365997.db2.gz BVAOPGXKSLYVBU-HNNXBMFYSA-N 1 2 338.448 1.291 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)NCc2[nH+]ccn2CC)c1 ZINC000452575156 446429374 /nfs/dbraw/zinc/42/93/74/446429374.db2.gz PHNJKWYLQCSZOP-UHFFFAOYSA-N 1 2 348.428 1.297 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1F ZINC000376345842 446444004 /nfs/dbraw/zinc/44/40/04/446444004.db2.gz DAAIOOGRQLHSCM-IUODEOHRSA-N 1 2 339.798 1.783 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1F ZINC000376345842 446444008 /nfs/dbraw/zinc/44/40/08/446444008.db2.gz DAAIOOGRQLHSCM-IUODEOHRSA-N 1 2 339.798 1.783 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000432058809 446448790 /nfs/dbraw/zinc/44/87/90/446448790.db2.gz BVZSQHYUKDZNFK-UONOGXRCSA-N 1 2 344.371 1.445 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1 ZINC000432058809 446448800 /nfs/dbraw/zinc/44/88/00/446448800.db2.gz BVZSQHYUKDZNFK-UONOGXRCSA-N 1 2 344.371 1.445 20 30 EDEDLO N#CC1(CC[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)CCCCC1 ZINC000411173971 446418143 /nfs/dbraw/zinc/41/81/43/446418143.db2.gz RGGAMCKFUUQNQI-UHFFFAOYSA-N 1 2 346.475 1.617 20 30 EDEDLO Cc1cn2c([nH+]1)CN(C(=O)NCc1ccc(OCC#N)cc1)CC2 ZINC000367797461 446591290 /nfs/dbraw/zinc/59/12/90/446591290.db2.gz ZQZDSAIFDAMBJU-UHFFFAOYSA-N 1 2 325.372 1.819 20 30 EDEDLO Cc1cccc2ncc(CN(CCC#N)CC[NH+]3CCOCC3)n21 ZINC000434981417 446671079 /nfs/dbraw/zinc/67/10/79/446671079.db2.gz GDIJPAQSSRFMPR-UHFFFAOYSA-N 1 2 327.432 1.691 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1cncc(C#N)n1 ZINC000420614297 446703451 /nfs/dbraw/zinc/70/34/51/446703451.db2.gz WVKWQSRDJWUKRM-WFASDCNBSA-N 1 2 329.383 1.131 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1cncc(C#N)n1 ZINC000420614297 446703457 /nfs/dbraw/zinc/70/34/57/446703457.db2.gz WVKWQSRDJWUKRM-WFASDCNBSA-N 1 2 329.383 1.131 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1ncc(C#N)cc1Cl ZINC000375364555 446751123 /nfs/dbraw/zinc/75/11/23/446751123.db2.gz CANVWKSJAKATST-BXUZGUMPSA-N 1 2 330.779 1.772 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccnc2C#N)C1 ZINC000375441197 446801213 /nfs/dbraw/zinc/80/12/13/446801213.db2.gz MIHVQIVHJITNPX-OAHLLOKOSA-N 1 2 328.397 1.418 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccnc2C#N)C1 ZINC000375441197 446801219 /nfs/dbraw/zinc/80/12/19/446801219.db2.gz MIHVQIVHJITNPX-OAHLLOKOSA-N 1 2 328.397 1.418 20 30 EDEDLO CC1(C)C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](CO)O1 ZINC000420936245 446908308 /nfs/dbraw/zinc/90/83/08/446908308.db2.gz KSEIBJBJDNNTSZ-DLBZAZTESA-N 1 2 343.427 1.525 20 30 EDEDLO CC1(C)C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](CO)O1 ZINC000420936245 446908313 /nfs/dbraw/zinc/90/83/13/446908313.db2.gz KSEIBJBJDNNTSZ-DLBZAZTESA-N 1 2 343.427 1.525 20 30 EDEDLO Cc1nnc(N2CCC[N@@H+](Cc3nccn3C)CC2)c(C#N)c1C ZINC000368679019 447030507 /nfs/dbraw/zinc/03/05/07/447030507.db2.gz ZIWNZPYDMSVHNO-UHFFFAOYSA-N 1 2 325.420 1.411 20 30 EDEDLO Cc1nnc(N2CCC[N@H+](Cc3nccn3C)CC2)c(C#N)c1C ZINC000368679019 447030512 /nfs/dbraw/zinc/03/05/12/447030512.db2.gz ZIWNZPYDMSVHNO-UHFFFAOYSA-N 1 2 325.420 1.411 20 30 EDEDLO C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000425400491 447146875 /nfs/dbraw/zinc/14/68/75/447146875.db2.gz XZNAPVBVXLVYSN-GJZGRUSLSA-N 1 2 330.432 1.981 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)c[nH+]2)CCO1 ZINC000425420271 447156403 /nfs/dbraw/zinc/15/64/03/447156403.db2.gz KWHXYXLCSNANGL-IJEWVQPXSA-N 1 2 343.431 1.798 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444716414 447127315 /nfs/dbraw/zinc/12/73/15/447127315.db2.gz FXHHZOBOWQUEIW-YUTCNCBUSA-N 1 2 335.370 1.676 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444716414 447127321 /nfs/dbraw/zinc/12/73/21/447127321.db2.gz FXHHZOBOWQUEIW-YUTCNCBUSA-N 1 2 335.370 1.676 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCc1cccc(C#N)c1 ZINC000413522326 447204503 /nfs/dbraw/zinc/20/45/03/447204503.db2.gz XMDGNQDOZNFAQI-UHFFFAOYSA-N 1 2 330.432 1.511 20 30 EDEDLO Cc1onc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000455683721 447209462 /nfs/dbraw/zinc/20/94/62/447209462.db2.gz HOXDDQUOTWSBNM-UHFFFAOYSA-N 1 2 339.399 2.513 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000414112540 447274652 /nfs/dbraw/zinc/27/46/52/447274652.db2.gz RDVNOXFCXCAWMK-CQSZACIVSA-N 1 2 345.424 1.555 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000414112540 447274655 /nfs/dbraw/zinc/27/46/55/447274655.db2.gz RDVNOXFCXCAWMK-CQSZACIVSA-N 1 2 345.424 1.555 20 30 EDEDLO CC[C@H]1CN(c2ncc(C#N)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000450388720 447473705 /nfs/dbraw/zinc/47/37/05/447473705.db2.gz IWLIKDHIHFNHNL-ZFWWWQNUSA-N 1 2 331.376 1.408 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)c2ccc(C#N)n2C)C1 ZINC000450874146 447602557 /nfs/dbraw/zinc/60/25/57/447602557.db2.gz DOVKHFAAHHNXHK-AWEZNQCLSA-N 1 2 339.399 1.651 20 30 EDEDLO C[C@H]1C[C@@]1(C#N)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000450949232 447629913 /nfs/dbraw/zinc/62/99/13/447629913.db2.gz SAPLSRKJDOVOCX-WSMBLCCSSA-N 1 2 333.411 1.341 20 30 EDEDLO CC(C)[C@H](CNC(=O)c1ncc(C#N)cc1Cl)[NH+]1CCOCC1 ZINC000427938995 447671165 /nfs/dbraw/zinc/67/11/65/447671165.db2.gz SSSJCGRKOKHATF-AWEZNQCLSA-N 1 2 336.823 1.693 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCOC)Cc1c(C)nn(C)c1C ZINC000459568091 447707975 /nfs/dbraw/zinc/70/79/75/447707975.db2.gz KKGASYMDCGREJG-UHFFFAOYSA-N 1 2 336.480 1.910 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCOC)Cc1c(C)nn(C)c1C ZINC000459568091 447707981 /nfs/dbraw/zinc/70/79/81/447707981.db2.gz KKGASYMDCGREJG-UHFFFAOYSA-N 1 2 336.480 1.910 20 30 EDEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1O ZINC000451763953 447750519 /nfs/dbraw/zinc/75/05/19/447750519.db2.gz UFZLIDBPJMFRSX-OASPWFOLSA-N 1 2 335.429 1.127 20 30 EDEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1O ZINC000451763953 447750521 /nfs/dbraw/zinc/75/05/21/447750521.db2.gz UFZLIDBPJMFRSX-OASPWFOLSA-N 1 2 335.429 1.127 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000459819954 447763057 /nfs/dbraw/zinc/76/30/57/447763057.db2.gz WBLHNEBAQNUBBM-UHFFFAOYSA-N 1 2 341.455 1.840 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000430410400 447773465 /nfs/dbraw/zinc/77/34/65/447773465.db2.gz WHYFMLMCSGOGJL-GOEBONIOSA-N 1 2 346.431 1.144 20 30 EDEDLO COCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCO[C@@H]1C ZINC000489514044 447861779 /nfs/dbraw/zinc/86/17/79/447861779.db2.gz PZEWHHIHULTHBI-UKRRQHHQSA-N 1 2 335.404 1.832 20 30 EDEDLO COCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCO[C@@H]1C ZINC000489514044 447861781 /nfs/dbraw/zinc/86/17/81/447861781.db2.gz PZEWHHIHULTHBI-UKRRQHHQSA-N 1 2 335.404 1.832 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)OCC ZINC000478878114 447821613 /nfs/dbraw/zinc/82/16/13/447821613.db2.gz YDBXLXUXSHUXCV-IAGOWNOFSA-N 1 2 340.464 1.307 20 30 EDEDLO C#CCN1CCN(C(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000490854068 447900395 /nfs/dbraw/zinc/90/03/95/447900395.db2.gz XFQLMZHONAAAPS-OAQYLSRUSA-N 1 2 348.450 1.538 20 30 EDEDLO CC#CCCNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497173356 447922579 /nfs/dbraw/zinc/92/25/79/447922579.db2.gz SVXZPJJNXZLENV-AWEZNQCLSA-N 1 2 338.452 1.250 20 30 EDEDLO CC#CCCNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497173356 447922582 /nfs/dbraw/zinc/92/25/82/447922582.db2.gz SVXZPJJNXZLENV-AWEZNQCLSA-N 1 2 338.452 1.250 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cnc3c(C#N)cnn3c1)C[C@@H](C)O2 ZINC000575923274 447929494 /nfs/dbraw/zinc/92/94/94/447929494.db2.gz AEGTXRJSUBYOFO-IGCXYCKISA-N 1 2 327.388 1.369 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cnc3c(C#N)cnn3c1)C[C@@H](C)O2 ZINC000575923274 447929498 /nfs/dbraw/zinc/92/94/98/447929498.db2.gz AEGTXRJSUBYOFO-IGCXYCKISA-N 1 2 327.388 1.369 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000491373748 448006870 /nfs/dbraw/zinc/00/68/70/448006870.db2.gz OEYVLWIEGXWUBM-AWEZNQCLSA-N 1 2 326.404 1.480 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1 ZINC000491373748 448006879 /nfs/dbraw/zinc/00/68/79/448006879.db2.gz OEYVLWIEGXWUBM-AWEZNQCLSA-N 1 2 326.404 1.480 20 30 EDEDLO C[N@@H+]1CCO[C@H](C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)C1 ZINC000531052556 448009243 /nfs/dbraw/zinc/00/92/43/448009243.db2.gz MDGNGQJEZJDWSY-INIZCTEOSA-N 1 2 331.372 1.035 20 30 EDEDLO C[N@H+]1CCO[C@H](C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)C1 ZINC000531052556 448009245 /nfs/dbraw/zinc/00/92/45/448009245.db2.gz MDGNGQJEZJDWSY-INIZCTEOSA-N 1 2 331.372 1.035 20 30 EDEDLO Cn1cc([C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)c2ccc(F)cc2)cn1 ZINC000525876712 448045500 /nfs/dbraw/zinc/04/55/00/448045500.db2.gz XZKIKTNGOOIXDP-KRWDZBQOSA-N 1 2 341.390 1.801 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(F)c(C(=O)OC)c2C)CC1 ZINC000491753858 448106449 /nfs/dbraw/zinc/10/64/49/448106449.db2.gz QCUPOFNHLTUSTF-UHFFFAOYSA-N 1 2 347.390 1.110 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2oc(=O)[nH]c21 ZINC000571102400 448108652 /nfs/dbraw/zinc/10/86/52/448108652.db2.gz LMNAXOAYKPOKRD-UHFFFAOYSA-N 1 2 344.371 1.221 20 30 EDEDLO CC1CC(C#N)(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000532067434 448193922 /nfs/dbraw/zinc/19/39/22/448193922.db2.gz ZVZKTAHYYKKXMX-UHFFFAOYSA-N 1 2 340.427 1.370 20 30 EDEDLO Cc1cnc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)s1 ZINC000527297794 448204975 /nfs/dbraw/zinc/20/49/75/448204975.db2.gz DBBOEBCKAZVLMM-CYBMUJFWSA-N 1 2 333.461 1.525 20 30 EDEDLO CCc1cnc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)s1 ZINC000527296817 448204979 /nfs/dbraw/zinc/20/49/79/448204979.db2.gz VJIFRYBMSWKDRZ-CYBMUJFWSA-N 1 2 347.488 1.778 20 30 EDEDLO N#CC1(NC(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)CCC1 ZINC000527128423 448166002 /nfs/dbraw/zinc/16/60/02/448166002.db2.gz ZDYZWGRXAFPDFB-YWEYNIOJSA-N 1 2 338.455 1.880 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000577342871 448268445 /nfs/dbraw/zinc/26/84/45/448268445.db2.gz WSJQQFPOVNZKMP-CVEARBPZSA-N 1 2 346.431 1.451 20 30 EDEDLO CC1CC(C#N)(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)C1 ZINC000562606379 448262321 /nfs/dbraw/zinc/26/23/21/448262321.db2.gz RMZSBVRUKVECMD-UHFFFAOYSA-N 1 2 326.400 1.408 20 30 EDEDLO CC1CC(C#N)(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)C1 ZINC000562606379 448262327 /nfs/dbraw/zinc/26/23/27/448262327.db2.gz RMZSBVRUKVECMD-UHFFFAOYSA-N 1 2 326.400 1.408 20 30 EDEDLO C[C@H](NC(=O)NCc1ccc(CC#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000515469309 448318467 /nfs/dbraw/zinc/31/84/67/448318467.db2.gz IYJFQNUZFCBKCJ-GJZGRUSLSA-N 1 2 330.432 1.661 20 30 EDEDLO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ncc(Br)cn1 ZINC000563001530 448279935 /nfs/dbraw/zinc/27/99/35/448279935.db2.gz WGDFGTJOGFTKNK-JQWIXIFHSA-N 1 2 342.241 1.096 20 30 EDEDLO C[C@H](NC[C@H](O)C[N@H+](C)CCC#N)c1ncc(Br)cn1 ZINC000563001530 448279939 /nfs/dbraw/zinc/27/99/39/448279939.db2.gz WGDFGTJOGFTKNK-JQWIXIFHSA-N 1 2 342.241 1.096 20 30 EDEDLO C[C@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1ncc(Br)cn1 ZINC000563001530 448279943 /nfs/dbraw/zinc/27/99/43/448279943.db2.gz WGDFGTJOGFTKNK-JQWIXIFHSA-N 1 2 342.241 1.096 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000563415496 448300236 /nfs/dbraw/zinc/30/02/36/448300236.db2.gz CKHVIQZXYKEHTJ-UHFFFAOYSA-N 1 2 330.432 1.593 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC(C)(C(N)=O)C1 ZINC000564916801 448347341 /nfs/dbraw/zinc/34/73/41/448347341.db2.gz SRLFPHYSLVLYFZ-LBPRGKRZSA-N 1 2 332.379 1.268 20 30 EDEDLO COc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000565050427 448353417 /nfs/dbraw/zinc/35/34/17/448353417.db2.gz CFACGYLZTUMAEJ-OAHLLOKOSA-N 1 2 336.348 1.186 20 30 EDEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)CC2(CC#N)CC2)C1 ZINC000565462805 448368641 /nfs/dbraw/zinc/36/86/41/448368641.db2.gz XBLOYFCAXPXRBM-UHFFFAOYSA-N 1 2 333.457 1.826 20 30 EDEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)CC2(CC#N)CC2)C1 ZINC000565462805 448368645 /nfs/dbraw/zinc/36/86/45/448368645.db2.gz XBLOYFCAXPXRBM-UHFFFAOYSA-N 1 2 333.457 1.826 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1C#N ZINC000572395915 448369057 /nfs/dbraw/zinc/36/90/57/448369057.db2.gz NTSVFIKPEFEKIB-CQSZACIVSA-N 1 2 325.372 1.773 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1C#N ZINC000572395915 448369063 /nfs/dbraw/zinc/36/90/63/448369063.db2.gz NTSVFIKPEFEKIB-CQSZACIVSA-N 1 2 325.372 1.773 20 30 EDEDLO Cc1cc(C)c(C#N)c(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)n1 ZINC000528133885 448442737 /nfs/dbraw/zinc/44/27/37/448442737.db2.gz QKUKKRDMVCOVLP-GOSISDBHSA-N 1 2 330.432 1.598 20 30 EDEDLO Cc1cc(C)c(C#N)c(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)n1 ZINC000528133885 448442741 /nfs/dbraw/zinc/44/27/41/448442741.db2.gz QKUKKRDMVCOVLP-GOSISDBHSA-N 1 2 330.432 1.598 20 30 EDEDLO CCn1ccnc1[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000591769844 448487534 /nfs/dbraw/zinc/48/75/34/448487534.db2.gz MYJAUYKVLDBMBP-CYBMUJFWSA-N 1 2 332.429 1.899 20 30 EDEDLO N#Cc1ccc2c(c1)CCC[C@H]2N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000572826535 448472515 /nfs/dbraw/zinc/47/25/15/448472515.db2.gz HUXATBLLIWTUBY-JKSUJKDBSA-N 1 2 335.367 1.822 20 30 EDEDLO N#Cc1ccc2c(c1)CCC[C@H]2N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000572826535 448472519 /nfs/dbraw/zinc/47/25/19/448472519.db2.gz HUXATBLLIWTUBY-JKSUJKDBSA-N 1 2 335.367 1.822 20 30 EDEDLO CCS(=O)(=O)c1cccc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000534985931 448472845 /nfs/dbraw/zinc/47/28/45/448472845.db2.gz FGRPMOSMBUZVSR-UHFFFAOYSA-N 1 2 335.429 1.198 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000540883453 448648122 /nfs/dbraw/zinc/64/81/22/448648122.db2.gz OXKMEIAKVOYDLC-UHFFFAOYSA-N 1 2 348.834 1.496 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000540883453 448648125 /nfs/dbraw/zinc/64/81/25/448648125.db2.gz OXKMEIAKVOYDLC-UHFFFAOYSA-N 1 2 348.834 1.496 20 30 EDEDLO CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000578753647 448627336 /nfs/dbraw/zinc/62/73/36/448627336.db2.gz ALZIJHIPCNTXGD-HNAYVOBHSA-N 1 2 345.443 1.936 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000573448577 448631451 /nfs/dbraw/zinc/63/14/51/448631451.db2.gz INEAXHGKSWCQHM-DEYYWGMASA-N 1 2 329.400 1.521 20 30 EDEDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1OCC ZINC000592144995 448705428 /nfs/dbraw/zinc/70/54/28/448705428.db2.gz LMCHQHQZRYMMIZ-SFHVURJKSA-N 1 2 347.415 1.773 20 30 EDEDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)cc1OCC ZINC000592144995 448705433 /nfs/dbraw/zinc/70/54/33/448705433.db2.gz LMCHQHQZRYMMIZ-SFHVURJKSA-N 1 2 347.415 1.773 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000592147080 448707370 /nfs/dbraw/zinc/70/73/70/448707370.db2.gz LQQSUPMTQGBMCQ-CQSZACIVSA-N 1 2 339.298 1.297 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000592147080 448707377 /nfs/dbraw/zinc/70/73/77/448707377.db2.gz LQQSUPMTQGBMCQ-CQSZACIVSA-N 1 2 339.298 1.297 20 30 EDEDLO CS(=O)(=O)c1ccc(OCCC[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592150978 448712201 /nfs/dbraw/zinc/71/22/01/448712201.db2.gz LIBUHUNVHFSLNC-MRXNPFEDSA-N 1 2 338.429 1.209 20 30 EDEDLO CS(=O)(=O)c1ccc(OCCC[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592150978 448712205 /nfs/dbraw/zinc/71/22/05/448712205.db2.gz LIBUHUNVHFSLNC-MRXNPFEDSA-N 1 2 338.429 1.209 20 30 EDEDLO C[C@H](C#N)CNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000542876427 448729616 /nfs/dbraw/zinc/72/96/16/448729616.db2.gz AGIPXZSTWHYCMV-CQSZACIVSA-N 1 2 326.404 1.321 20 30 EDEDLO C[C@@](O)(C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1)C(F)(F)F ZINC000545224518 448779781 /nfs/dbraw/zinc/77/97/81/448779781.db2.gz GYBNCJPSYSHXIF-HUUCEWRRSA-N 1 2 347.381 1.820 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000546708023 448844271 /nfs/dbraw/zinc/84/42/71/448844271.db2.gz RVHPMORZHUCCEH-UHFFFAOYSA-N 1 2 332.404 1.799 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000546708023 448844273 /nfs/dbraw/zinc/84/42/73/448844273.db2.gz RVHPMORZHUCCEH-UHFFFAOYSA-N 1 2 332.404 1.799 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000588668311 448910024 /nfs/dbraw/zinc/91/00/24/448910024.db2.gz RHXVPJZGZORBDL-OAHLLOKOSA-N 1 2 342.434 1.656 20 30 EDEDLO CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000581072757 448965367 /nfs/dbraw/zinc/96/53/67/448965367.db2.gz BRXMOCORKYVIAN-IBGZPJMESA-N 1 2 344.459 1.875 20 30 EDEDLO CCn1c2nnc(C[NH2+][C@@H]3CCC[C@@H]3C#N)n2c2ccccc2c1=O ZINC000589164118 448980732 /nfs/dbraw/zinc/98/07/32/448980732.db2.gz QIWXUZHIIRHSEB-TZMCWYRMSA-N 1 2 336.399 1.846 20 30 EDEDLO N#Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)n1 ZINC000589313813 449006743 /nfs/dbraw/zinc/00/67/43/449006743.db2.gz XMFZBCOGLVKFNU-UHFFFAOYSA-N 1 2 349.394 1.010 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1=O ZINC000589515803 449028543 /nfs/dbraw/zinc/02/85/43/449028543.db2.gz FPASPWBAQILBNX-HNNXBMFYSA-N 1 2 347.371 1.600 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1=O ZINC000589515803 449028549 /nfs/dbraw/zinc/02/85/49/449028549.db2.gz FPASPWBAQILBNX-HNNXBMFYSA-N 1 2 347.371 1.600 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000589892173 449073291 /nfs/dbraw/zinc/07/32/91/449073291.db2.gz KAJJIQAIYSTTKM-ZDUSSCGKSA-N 1 2 334.376 1.920 20 30 EDEDLO N#C[C@]1(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CC12CCCC2 ZINC000569544516 449039065 /nfs/dbraw/zinc/03/90/65/449039065.db2.gz ZWTOEBTULVHKLT-APWZRJJASA-N 1 2 347.459 1.410 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccsc2C#N)C(C)(C)C1 ZINC000593657424 449133415 /nfs/dbraw/zinc/13/34/15/449133415.db2.gz MNMJOSZVWTWKRO-UHFFFAOYSA-N 1 2 343.474 1.351 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccsc2C#N)C(C)(C)C1 ZINC000593657424 449133419 /nfs/dbraw/zinc/13/34/19/449133419.db2.gz MNMJOSZVWTWKRO-UHFFFAOYSA-N 1 2 343.474 1.351 20 30 EDEDLO N#Cc1ccnc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)c1 ZINC000590354431 449136537 /nfs/dbraw/zinc/13/65/37/449136537.db2.gz XDSUUSDARRIZAO-UHFFFAOYSA-N 1 2 326.360 1.252 20 30 EDEDLO COc1cc(NC(=O)C(=O)NCCCn2cc[nH+]c2)c(F)cc1C#N ZINC000599931240 449112784 /nfs/dbraw/zinc/11/27/84/449112784.db2.gz VUDOFDBMAGIRLN-UHFFFAOYSA-N 1 2 345.334 1.047 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc(C#N)cc1)C(C)(C)CO ZINC000597846402 449120424 /nfs/dbraw/zinc/12/04/24/449120424.db2.gz LGOUVLHDARERGK-INIZCTEOSA-N 1 2 326.400 1.710 20 30 EDEDLO C[C@@]12COC[C@]1(C)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C2 ZINC000595689622 449120709 /nfs/dbraw/zinc/12/07/09/449120709.db2.gz SRKKLZLNHXDULZ-CALCHBBNSA-N 1 2 334.441 1.690 20 30 EDEDLO C[C@@]12COC[C@]1(C)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C2 ZINC000595689622 449120712 /nfs/dbraw/zinc/12/07/12/449120712.db2.gz SRKKLZLNHXDULZ-CALCHBBNSA-N 1 2 334.441 1.690 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cccc(F)c1C#N)C2 ZINC000593702986 449153161 /nfs/dbraw/zinc/15/31/61/449153161.db2.gz ZFBKDORMRRKEMB-LBPRGKRZSA-N 1 2 342.374 1.482 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000601806880 449163205 /nfs/dbraw/zinc/16/32/05/449163205.db2.gz JGJPNOFQENNPEV-HZPDHXFCSA-N 1 2 327.432 1.354 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC(=O)N(C)CC2)c1 ZINC000595782781 449163733 /nfs/dbraw/zinc/16/37/33/449163733.db2.gz MBENYAWGXPYYDF-UHFFFAOYSA-N 1 2 342.443 1.714 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC(=O)N(C)CC2)c1 ZINC000595782781 449163739 /nfs/dbraw/zinc/16/37/39/449163739.db2.gz MBENYAWGXPYYDF-UHFFFAOYSA-N 1 2 342.443 1.714 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](CC#N)C1 ZINC000597900073 449138599 /nfs/dbraw/zinc/13/85/99/449138599.db2.gz IJYKWPZMWGQSSV-GDBMZVCRSA-N 1 2 345.447 1.635 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](CC#N)C1 ZINC000597900073 449138602 /nfs/dbraw/zinc/13/86/02/449138602.db2.gz IJYKWPZMWGQSSV-GDBMZVCRSA-N 1 2 345.447 1.635 20 30 EDEDLO C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000611173850 449199661 /nfs/dbraw/zinc/19/96/61/449199661.db2.gz NZRFCGJYTSUKRG-HNNXBMFYSA-N 1 2 332.423 1.404 20 30 EDEDLO COc1cccc(CNC(=O)[C@H](C)[NH+]2CCN(CCC#N)CC2)c1 ZINC000611175557 449201896 /nfs/dbraw/zinc/20/18/96/449201896.db2.gz IEOIAJLQILSMGJ-HNNXBMFYSA-N 1 2 330.432 1.231 20 30 EDEDLO N#CCCN1CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000611175653 449202254 /nfs/dbraw/zinc/20/22/54/449202254.db2.gz KMBQPRYMJVWBFE-UHFFFAOYSA-N 1 2 326.444 1.713 20 30 EDEDLO Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593279874 449204209 /nfs/dbraw/zinc/20/42/09/449204209.db2.gz BDOBZZDZSATCDN-UHFFFAOYSA-N 1 2 332.429 1.742 20 30 EDEDLO N#CC1(C[NH2+]Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)CC1 ZINC000600153940 449217133 /nfs/dbraw/zinc/21/71/33/449217133.db2.gz TULNVAGRQYKGBY-UHFFFAOYSA-N 1 2 335.367 1.599 20 30 EDEDLO C[C@@H](NC(=O)N1Cc2cccc(C#N)c2C1)[C@H](C)[NH+]1CCOCC1 ZINC000593340258 449233928 /nfs/dbraw/zinc/23/39/28/449233928.db2.gz XPWHPHWSVKQZCF-KGLIPLIRSA-N 1 2 328.416 1.693 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1C#N ZINC000604511224 449241067 /nfs/dbraw/zinc/24/10/67/449241067.db2.gz HUPDYSRCSAQIRV-UHFFFAOYSA-N 1 2 346.416 1.391 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(N(C)C)nc1 ZINC000611285754 449250759 /nfs/dbraw/zinc/25/07/59/449250759.db2.gz CGMVIPDCJNOLEV-AWEZNQCLSA-N 1 2 337.431 1.520 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000611285754 449250766 /nfs/dbraw/zinc/25/07/66/449250766.db2.gz CGMVIPDCJNOLEV-AWEZNQCLSA-N 1 2 337.431 1.520 20 30 EDEDLO CN(C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[C@@H]1C#N ZINC000602078552 449326241 /nfs/dbraw/zinc/32/62/41/449326241.db2.gz WMUHZISQYRJBTP-CJNGLKHVSA-N 1 2 337.383 1.961 20 30 EDEDLO CN1CCC[C@H]([NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O ZINC000611516590 449319246 /nfs/dbraw/zinc/31/92/46/449319246.db2.gz XMLWUBFQYJBCGS-AWEZNQCLSA-N 1 2 329.404 1.166 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC2CCN(CC#N)CC2)cc1 ZINC000602094683 449340102 /nfs/dbraw/zinc/34/01/02/449340102.db2.gz CXRSFZWJAPHHII-SFHVURJKSA-N 1 2 342.443 1.374 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC2CCN(CC#N)CC2)cc1 ZINC000602094683 449340107 /nfs/dbraw/zinc/34/01/07/449340107.db2.gz CXRSFZWJAPHHII-SFHVURJKSA-N 1 2 342.443 1.374 20 30 EDEDLO CCc1nc(C#N)cc(N2CC[NH+](Cc3c(C)noc3C)CC2)n1 ZINC000596079769 449353483 /nfs/dbraw/zinc/35/34/83/449353483.db2.gz XQUSSUMHFWHZES-UHFFFAOYSA-N 1 2 326.404 1.838 20 30 EDEDLO N#C[C@@H](c1ccc(F)cc1)N1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000611552687 449333364 /nfs/dbraw/zinc/33/33/64/449333364.db2.gz IJFWGFXPJPKYRR-IBGZPJMESA-N 1 2 346.450 1.730 20 30 EDEDLO COc1ccc([C@H](CNc2c(C#N)cnn2C)[NH+]2CCOCC2)cc1 ZINC000596052872 449338105 /nfs/dbraw/zinc/33/81/05/449338105.db2.gz AHSJRJJXVLYXPT-KRWDZBQOSA-N 1 2 341.415 1.786 20 30 EDEDLO CC(C)(CNC(=O)N1Cc2ccc(C#N)cc2C1)[NH+]1CCOCC1 ZINC000594222885 449397113 /nfs/dbraw/zinc/39/71/13/449397113.db2.gz SNPSEBORWJBXGO-UHFFFAOYSA-N 1 2 328.416 1.694 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598460207 449406340 /nfs/dbraw/zinc/40/63/40/449406340.db2.gz SNWDVVNBTYCWSW-GFCCVEGCSA-N 1 2 327.388 1.819 20 30 EDEDLO Cc1cc(N2C[C@@H](O)C(C)(C)C2)c(C#N)c(N2C[C@@H](O)C(C)(C)C2)[nH+]1 ZINC000596216023 449420867 /nfs/dbraw/zinc/42/08/67/449420867.db2.gz GSDKPJFZLAMDNU-HZPDHXFCSA-N 1 2 344.459 1.676 20 30 EDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602192999 449421831 /nfs/dbraw/zinc/42/18/31/449421831.db2.gz TWAFDJKAMVIAIQ-SFHVURJKSA-N 1 2 342.443 1.682 20 30 EDEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602192999 449421834 /nfs/dbraw/zinc/42/18/34/449421834.db2.gz TWAFDJKAMVIAIQ-SFHVURJKSA-N 1 2 342.443 1.682 20 30 EDEDLO C=C(C)C[C@@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C(=O)OC ZINC000602197621 449426172 /nfs/dbraw/zinc/42/61/72/449426172.db2.gz VXPOCGYEFDKEIR-IAGOWNOFSA-N 1 2 346.427 1.894 20 30 EDEDLO C=C(C)C[C@@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)C(=O)OC ZINC000602197621 449426178 /nfs/dbraw/zinc/42/61/78/449426178.db2.gz VXPOCGYEFDKEIR-IAGOWNOFSA-N 1 2 346.427 1.894 20 30 EDEDLO CCc1c[nH]c(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH+]1 ZINC000602154024 449388800 /nfs/dbraw/zinc/38/88/00/449388800.db2.gz RLWZKPVXLONJHC-CQSZACIVSA-N 1 2 325.372 1.461 20 30 EDEDLO COC(=O)[C@H]1CCC[N@H+](Cc2cn(-c3cccc(C#N)c3)nn2)C1 ZINC000600970115 449623166 /nfs/dbraw/zinc/62/31/66/449623166.db2.gz GAAZWLIWYOEHLE-AWEZNQCLSA-N 1 2 325.372 1.524 20 30 EDEDLO COC(=O)[C@H]1CCC[N@@H+](Cc2cn(-c3cccc(C#N)c3)nn2)C1 ZINC000600970115 449623168 /nfs/dbraw/zinc/62/31/68/449623168.db2.gz GAAZWLIWYOEHLE-AWEZNQCLSA-N 1 2 325.372 1.524 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602481229 449625359 /nfs/dbraw/zinc/62/53/59/449625359.db2.gz CAEBTRLEJRKOIS-HNNXBMFYSA-N 1 2 327.432 1.082 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000614468515 449630315 /nfs/dbraw/zinc/63/03/15/449630315.db2.gz RBMZIECUXUYTBI-AWEZNQCLSA-N 1 2 349.435 1.143 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)NCC3(C#N)CCCCC3)CC2)cn1 ZINC000596866575 449695716 /nfs/dbraw/zinc/69/57/16/449695716.db2.gz OBHYOHZRHCFIIX-UHFFFAOYSA-N 1 2 344.463 1.721 20 30 EDEDLO C[C@@H](CC#N)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000596937473 449725606 /nfs/dbraw/zinc/72/56/06/449725606.db2.gz PAHWXXSATUJCOU-HNNXBMFYSA-N 1 2 331.416 1.564 20 30 EDEDLO N#Cc1ccc(C(F)(F)F)nc1N[C@@H](CO)C[NH+]1CCOCC1 ZINC000601177537 449735499 /nfs/dbraw/zinc/73/54/99/449735499.db2.gz WJNLCNJZHSKHBQ-LLVKDONJSA-N 1 2 330.310 1.077 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)C2(C#N)CC3(CC3)C2)nc[nH+]1 ZINC000601258454 449781589 /nfs/dbraw/zinc/78/15/89/449781589.db2.gz HGUIKJVLZBWPCC-CYBMUJFWSA-N 1 2 340.431 1.687 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)C2(C#N)CC3(CC3)C2)[nH+]cn1 ZINC000601258454 449781592 /nfs/dbraw/zinc/78/15/92/449781592.db2.gz HGUIKJVLZBWPCC-CYBMUJFWSA-N 1 2 340.431 1.687 20 30 EDEDLO Cc1cn(C)nc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000597138950 449832049 /nfs/dbraw/zinc/83/20/49/449832049.db2.gz UZQOOXYIJUSBPZ-UHFFFAOYSA-N 1 2 338.415 1.950 20 30 EDEDLO CNS(=O)(=O)c1ccccc1N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602774459 449796651 /nfs/dbraw/zinc/79/66/51/449796651.db2.gz ZRMWINOWGCBSOC-UHFFFAOYSA-N 1 2 348.472 1.411 20 30 EDEDLO COCCOC1C[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000597073966 449799234 /nfs/dbraw/zinc/79/92/34/449799234.db2.gz LQBLBDWAVJQPSZ-UHFFFAOYSA-N 1 2 341.415 1.706 20 30 EDEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)C[C@H](C)N1CC#N ZINC000602848783 449855725 /nfs/dbraw/zinc/85/57/25/449855725.db2.gz IGRDKFWYTIMRBA-JKIFEVAISA-N 1 2 330.407 1.849 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)C[C@H](C)N1CC#N ZINC000602848783 449855729 /nfs/dbraw/zinc/85/57/29/449855729.db2.gz IGRDKFWYTIMRBA-JKIFEVAISA-N 1 2 330.407 1.849 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2csc(-c3cnn(C)c3)n2)C[C@H](C)N1CC#N ZINC000602854177 449861189 /nfs/dbraw/zinc/86/11/89/449861189.db2.gz AHXCYXNJOZJYRX-BETUJISGSA-N 1 2 330.461 1.962 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2csc(-c3cnn(C)c3)n2)C[C@H](C)N1CC#N ZINC000602854177 449861192 /nfs/dbraw/zinc/86/11/92/449861192.db2.gz AHXCYXNJOZJYRX-BETUJISGSA-N 1 2 330.461 1.962 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856214 449864611 /nfs/dbraw/zinc/86/46/11/449864611.db2.gz JHBYWCBWDUIOQM-XHSDSOJGSA-N 1 2 331.464 1.636 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856214 449864617 /nfs/dbraw/zinc/86/46/17/449864617.db2.gz JHBYWCBWDUIOQM-XHSDSOJGSA-N 1 2 331.464 1.636 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)N[C@H]2CCOc3ccccc32)C[C@@H](C)N1CC#N ZINC000602858221 449868140 /nfs/dbraw/zinc/86/81/40/449868140.db2.gz QIIGFSNYUCADQY-INMHGKMJSA-N 1 2 342.443 1.545 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000599304891 449877132 /nfs/dbraw/zinc/87/71/32/449877132.db2.gz SMPPKSHSLGCMDK-UPJWGTAASA-N 1 2 336.354 1.709 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC000599304891 449877137 /nfs/dbraw/zinc/87/71/37/449877137.db2.gz SMPPKSHSLGCMDK-UPJWGTAASA-N 1 2 336.354 1.709 20 30 EDEDLO N#CCN1CCC[C@H](CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602895816 449903354 /nfs/dbraw/zinc/90/33/54/449903354.db2.gz MCVDABRUCZSEKI-CHWSQXEVSA-N 1 2 343.353 1.728 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)CCCCC1 ZINC000602987332 449983136 /nfs/dbraw/zinc/98/31/36/449983136.db2.gz CAQSIMFIZRASOQ-NWDGAFQWSA-N 1 2 333.354 1.432 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)CCCCC1 ZINC000602987332 449983143 /nfs/dbraw/zinc/98/31/43/449983143.db2.gz CAQSIMFIZRASOQ-NWDGAFQWSA-N 1 2 333.354 1.432 20 30 EDEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCCC[C@H]4NC3=O)CC2)nc1 ZINC000595296215 450010529 /nfs/dbraw/zinc/01/05/29/450010529.db2.gz XWNHWDSEEWWZGB-BRWVUGGUSA-N 1 2 339.443 1.523 20 30 EDEDLO N#CCCN1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000601561435 450073118 /nfs/dbraw/zinc/07/31/18/450073118.db2.gz KVUVEIQAHBZATP-UHFFFAOYSA-N 1 2 338.415 1.613 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000609631494 450076794 /nfs/dbraw/zinc/07/67/94/450076794.db2.gz NADHUIQQXHFVFF-RDJZCZTQSA-N 1 2 348.516 1.961 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccccc1CC#N)C2 ZINC000601572380 450082469 /nfs/dbraw/zinc/08/24/69/450082469.db2.gz WUCVBSCJMOMQEV-OAHLLOKOSA-N 1 2 338.411 1.537 20 30 EDEDLO CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000603159662 450102011 /nfs/dbraw/zinc/10/20/11/450102011.db2.gz XPNSWDWKPATSHS-SFHVURJKSA-N 1 2 337.427 1.962 20 30 EDEDLO Cc1cc(C(=O)N2CCc3[nH]c[nH+]c3C23CCOCC3)ncc1C#N ZINC000601657133 450147912 /nfs/dbraw/zinc/14/79/12/450147912.db2.gz WRMNUIPDYCJQOL-UHFFFAOYSA-N 1 2 337.383 1.689 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cccc(C#N)c1 ZINC000599705101 450167044 /nfs/dbraw/zinc/16/70/44/450167044.db2.gz AZIGJBFPBKCANK-GOSISDBHSA-N 1 2 344.415 1.296 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Nc1cccc(C#N)c1 ZINC000599705101 450167050 /nfs/dbraw/zinc/16/70/50/450167050.db2.gz AZIGJBFPBKCANK-GOSISDBHSA-N 1 2 344.415 1.296 20 30 EDEDLO CN1CCN(c2cc(N[C@@H]3CCc4cc(C#N)ccc43)[nH+]cn2)CC1=O ZINC000618693306 450274624 /nfs/dbraw/zinc/27/46/24/450274624.db2.gz DJHACMBZTPIZTF-MRXNPFEDSA-N 1 2 348.410 1.726 20 30 EDEDLO CN1CCN(c2cc(N[C@@H]3CCc4cc(C#N)ccc43)nc[nH+]2)CC1=O ZINC000618693306 450274628 /nfs/dbraw/zinc/27/46/28/450274628.db2.gz DJHACMBZTPIZTF-MRXNPFEDSA-N 1 2 348.410 1.726 20 30 EDEDLO CC(C)N1CC[C@@H]([NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O ZINC000610481070 450236238 /nfs/dbraw/zinc/23/62/38/450236238.db2.gz PWUNERHAEVWJDD-OAHLLOKOSA-N 1 2 343.431 1.555 20 30 EDEDLO CC(C)OC[C@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000613753274 450299691 /nfs/dbraw/zinc/29/96/91/450299691.db2.gz AWRLTQIPAYZNGX-PKOBYXMFSA-N 1 2 348.443 1.618 20 30 EDEDLO CC(C)OC[C@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000613753274 450299692 /nfs/dbraw/zinc/29/96/92/450299692.db2.gz AWRLTQIPAYZNGX-PKOBYXMFSA-N 1 2 348.443 1.618 20 30 EDEDLO N#Cc1cnc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)cn1 ZINC000613878707 450347596 /nfs/dbraw/zinc/34/75/96/450347596.db2.gz DXHKPEHHAKHLMB-INIZCTEOSA-N 1 2 343.818 1.857 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619940499 450380069 /nfs/dbraw/zinc/38/00/69/450380069.db2.gz BAERQNPDNHXNNT-IBGZPJMESA-N 1 2 332.444 1.578 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619940499 450380072 /nfs/dbraw/zinc/38/00/72/450380072.db2.gz BAERQNPDNHXNNT-IBGZPJMESA-N 1 2 332.444 1.578 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000619433384 450472467 /nfs/dbraw/zinc/47/24/67/450472467.db2.gz WQGQVBMWKXFVBR-ROUUACIJSA-N 1 2 348.491 1.322 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000619433384 450472470 /nfs/dbraw/zinc/47/24/70/450472470.db2.gz WQGQVBMWKXFVBR-ROUUACIJSA-N 1 2 348.491 1.322 20 30 EDEDLO C=CC[C@H]1CC[N@@H+](CC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625699945 450481901 /nfs/dbraw/zinc/48/19/01/450481901.db2.gz IPLNCENFKWPMRX-HOTGVXAUSA-N 1 2 342.505 1.700 20 30 EDEDLO C=CC[C@H]1CC[N@H+](CC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625699945 450481902 /nfs/dbraw/zinc/48/19/02/450481902.db2.gz IPLNCENFKWPMRX-HOTGVXAUSA-N 1 2 342.505 1.700 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1=O ZINC000635890996 451336649 /nfs/dbraw/zinc/33/66/49/451336649.db2.gz DQYFBVKJBAHBPT-OAHLLOKOSA-N 1 2 340.383 1.437 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634510323 451377191 /nfs/dbraw/zinc/37/71/91/451377191.db2.gz WIJLKYFGVFGSNJ-SFHVURJKSA-N 1 2 332.448 1.392 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000636673556 451403845 /nfs/dbraw/zinc/40/38/45/451403845.db2.gz VFCBCOJKKFYANQ-LSDHHAIUSA-N 1 2 339.480 1.320 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2cc(OC)ccc2OC)nn1 ZINC000640758090 451556501 /nfs/dbraw/zinc/55/65/01/451556501.db2.gz JQRZPWYKQYCPPZ-UHFFFAOYSA-N 1 2 343.387 1.047 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000636498832 451738406 /nfs/dbraw/zinc/73/84/06/451738406.db2.gz DSKGKQAZJYOLFW-HNNXBMFYSA-N 1 2 339.480 1.178 20 30 EDEDLO C=CCNS(=O)(=O)c1ccccc1N1CCn2cc(C)[nH+]c2C1 ZINC000641486631 452017623 /nfs/dbraw/zinc/01/76/23/452017623.db2.gz XMPZTHRKLQGJAL-UHFFFAOYSA-N 1 2 332.429 1.676 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639856251 452188943 /nfs/dbraw/zinc/18/89/43/452188943.db2.gz PGRRYTRYSZXWHS-DYVFJYSZSA-N 1 2 336.457 1.721 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639856251 452188950 /nfs/dbraw/zinc/18/89/50/452188950.db2.gz PGRRYTRYSZXWHS-DYVFJYSZSA-N 1 2 336.457 1.721 20 30 EDEDLO C=CC[N@@H+](Cc1ccc2oc(=O)n(C)c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000637962236 452207655 /nfs/dbraw/zinc/20/76/55/452207655.db2.gz JPBRNBQHMICMMX-ZDUSSCGKSA-N 1 2 336.413 1.307 20 30 EDEDLO C=CC[N@H+](Cc1ccc2oc(=O)n(C)c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000637962236 452207660 /nfs/dbraw/zinc/20/76/60/452207660.db2.gz JPBRNBQHMICMMX-ZDUSSCGKSA-N 1 2 336.413 1.307 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648353997 453026751 /nfs/dbraw/zinc/02/67/51/453026751.db2.gz QTHSDPJECFRTIE-UHFFFAOYSA-N 1 2 348.834 1.901 20 30 EDEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000665390888 453677947 /nfs/dbraw/zinc/67/79/47/453677947.db2.gz RRPVPNUUDAQZAS-IRXDYDNUSA-N 1 2 339.480 1.457 20 30 EDEDLO Cn1cnnc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000286706166 491241904 /nfs/dbraw/zinc/24/19/04/491241904.db2.gz FEQAQIAUBKIYTP-UHFFFAOYSA-N 1 2 332.795 1.801 20 30 EDEDLO Cn1cnnc1C[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000286706166 491241906 /nfs/dbraw/zinc/24/19/06/491241906.db2.gz FEQAQIAUBKIYTP-UHFFFAOYSA-N 1 2 332.795 1.801 20 30 EDEDLO Cc1c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cnn1C(C)C ZINC000092369086 533740567 /nfs/dbraw/zinc/74/05/67/533740567.db2.gz FQKZJXJPOHYHMF-UHFFFAOYSA-N 1 2 333.436 1.461 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCOCC3(CCOCC3)C2)c(C#N)c1C ZINC000184125636 534547189 /nfs/dbraw/zinc/54/71/89/534547189.db2.gz UGKJFMAWRVYLFE-UHFFFAOYSA-N 1 2 347.415 1.836 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCOCC3(CCOCC3)C2)c(C#N)c1C ZINC000184125636 534547194 /nfs/dbraw/zinc/54/71/94/534547194.db2.gz UGKJFMAWRVYLFE-UHFFFAOYSA-N 1 2 347.415 1.836 20 30 EDEDLO CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000331681774 534664900 /nfs/dbraw/zinc/66/49/00/534664900.db2.gz PZFGGGWEYHSTGV-DOTOQJQBSA-N 1 2 326.400 1.264 20 30 EDEDLO CC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000331681774 534664910 /nfs/dbraw/zinc/66/49/10/534664910.db2.gz PZFGGGWEYHSTGV-DOTOQJQBSA-N 1 2 326.400 1.264 20 30 EDEDLO C=C(C)CN(CC)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000129824871 526518506 /nfs/dbraw/zinc/51/85/06/526518506.db2.gz QEPKEVDXVSIHDV-UHFFFAOYSA-N 1 2 344.459 1.935 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000174860832 526623033 /nfs/dbraw/zinc/62/30/33/526623033.db2.gz SWVQXCQOOWEAKF-OAHLLOKOSA-N 1 2 330.432 1.835 20 30 EDEDLO C=CC1CC[NH+]([C@@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000111258576 526982508 /nfs/dbraw/zinc/98/25/08/526982508.db2.gz GLCAVMBVYCYTOV-GOEBONIOSA-N 1 2 342.505 1.699 20 30 EDEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000132329392 527325392 /nfs/dbraw/zinc/32/53/92/527325392.db2.gz KEUYAINVRRPQAS-UHFFFAOYSA-N 1 2 325.390 1.477 20 30 EDEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000132329810 527326590 /nfs/dbraw/zinc/32/65/90/527326590.db2.gz NBMRAXQJYFAGIS-UHFFFAOYSA-N 1 2 338.429 1.340 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(C#N)s2)C1 ZINC000130186282 528055735 /nfs/dbraw/zinc/05/57/35/528055735.db2.gz SDLDSCRWBQAPBO-ZDUSSCGKSA-N 1 2 349.456 1.853 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000130186282 528055738 /nfs/dbraw/zinc/05/57/38/528055738.db2.gz SDLDSCRWBQAPBO-ZDUSSCGKSA-N 1 2 349.456 1.853 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246603305 536882669 /nfs/dbraw/zinc/88/26/69/536882669.db2.gz MTAVBNHWTMSJOC-LSDHHAIUSA-N 1 2 329.400 1.689 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246603305 536882675 /nfs/dbraw/zinc/88/26/75/536882675.db2.gz MTAVBNHWTMSJOC-LSDHHAIUSA-N 1 2 329.400 1.689 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C1CCCOc2ccccc21 ZINC000728427614 578547659 /nfs/dbraw/zinc/54/76/59/578547659.db2.gz SUFUGALPDUIIDM-UHFFFAOYSA-N 1 2 348.472 1.360 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000728801923 578552220 /nfs/dbraw/zinc/55/22/20/578552220.db2.gz HKWKMJXOAMZHLZ-LJQANCHMSA-N 1 2 335.407 1.694 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000728801923 578552221 /nfs/dbraw/zinc/55/22/21/578552221.db2.gz HKWKMJXOAMZHLZ-LJQANCHMSA-N 1 2 335.407 1.694 20 30 EDEDLO CC(CSC(C)(C)C)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000729633428 578585991 /nfs/dbraw/zinc/58/59/91/578585991.db2.gz NPSUCXGFOKEWIC-UHFFFAOYSA-N 1 2 332.539 1.690 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CN3C(=O)[C@H]4CCCCC[C@@H]43)CC2)n1 ZINC000760552296 580033550 /nfs/dbraw/zinc/03/35/50/580033550.db2.gz QCHJDWOLBXAVCY-IRXDYDNUSA-N 1 2 339.443 1.824 20 30 EDEDLO CC1C=C(N=Nc2ncccc2S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000734751676 578835445 /nfs/dbraw/zinc/83/54/45/578835445.db2.gz XISDAXMANZQJAI-UHFFFAOYSA-N 1 2 349.460 1.526 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000746813215 579611861 /nfs/dbraw/zinc/61/18/61/579611861.db2.gz NSQMPBLPUCACTH-UHFFFAOYSA-N 1 2 346.390 1.921 20 30 EDEDLO CCOCCCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(Cl)cc1 ZINC000749787193 579739594 /nfs/dbraw/zinc/73/95/94/579739594.db2.gz GEWVTQFTOKWVAW-LLVKDONJSA-N 1 2 327.812 1.908 20 30 EDEDLO CO[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000751938088 579828981 /nfs/dbraw/zinc/82/89/81/579828981.db2.gz CULBRUXWNVCCMW-PBHICJAKSA-N 1 2 328.372 1.003 20 30 EDEDLO CO[C@@H]1CC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000751938088 579828982 /nfs/dbraw/zinc/82/89/82/579828982.db2.gz CULBRUXWNVCCMW-PBHICJAKSA-N 1 2 328.372 1.003 20 30 EDEDLO COc1cc2c(cc1OC)C(=NNC1=[NH+][C@H]3CCCC[C@@H]3N1)C(=O)N2 ZINC000753930989 579891369 /nfs/dbraw/zinc/89/13/69/579891369.db2.gz XMDOZGUDWOYUCQ-QWRGUYRKSA-N 1 2 343.387 1.220 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000754842629 579914114 /nfs/dbraw/zinc/91/41/14/579914114.db2.gz UMUIUHOAMLJWNH-SFHVURJKSA-N 1 2 327.428 1.555 20 30 EDEDLO Cc1ccc2[nH+]cc(C=NNc3ccc(S(N)(=O)=O)cc3)n2c1 ZINC000755456707 579927431 /nfs/dbraw/zinc/92/74/31/579927431.db2.gz WMQSDDMQVMERJN-UHFFFAOYSA-N 1 2 329.385 1.736 20 30 EDEDLO Cc1ccc2[nH+]cc(C=NN=C3NS(=O)(=O)c4ccccc43)n2c1 ZINC000755641455 579931578 /nfs/dbraw/zinc/93/15/78/579931578.db2.gz YDEGPOFTDVVUOI-UHFFFAOYSA-N 1 2 339.380 1.715 20 30 EDEDLO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(F)cc(F)c1O ZINC000756704187 579955606 /nfs/dbraw/zinc/95/56/06/579955606.db2.gz GIAIYDCBDURYFC-LAZURVMCSA-N 1 2 337.326 1.847 20 30 EDEDLO C[C@H]1CC(N=Nc2nc3[nH][nH]cc-3c(=O)n2)C[N@@H+]1Cc1ccccc1 ZINC000757576438 579968255 /nfs/dbraw/zinc/96/82/55/579968255.db2.gz UYEYQJBJARYTNF-NSHDSACASA-N 1 2 337.387 1.494 20 30 EDEDLO C[C@H]1CC(N=Nc2nc3[nH][nH]cc-3c(=O)n2)C[N@H+]1Cc1ccccc1 ZINC000757576438 579968256 /nfs/dbraw/zinc/96/82/56/579968256.db2.gz UYEYQJBJARYTNF-NSHDSACASA-N 1 2 337.387 1.494 20 30 EDEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758202421 579976763 /nfs/dbraw/zinc/97/67/63/579976763.db2.gz HSFWUFUBSHSCDD-GDBMZVCRSA-N 1 2 330.432 1.694 20 30 EDEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758202421 579976764 /nfs/dbraw/zinc/97/67/64/579976764.db2.gz HSFWUFUBSHSCDD-GDBMZVCRSA-N 1 2 330.432 1.694 20 30 EDEDLO Cc1ccn(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000758215424 579977030 /nfs/dbraw/zinc/97/70/30/579977030.db2.gz JHHUCMLXRLUDOG-AWEZNQCLSA-N 1 2 346.431 1.833 20 30 EDEDLO Cc1ccn(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(=O)c1C#N ZINC000758215424 579977031 /nfs/dbraw/zinc/97/70/31/579977031.db2.gz JHHUCMLXRLUDOG-AWEZNQCLSA-N 1 2 346.431 1.833 20 30 EDEDLO C[C@@]1(CCc2ccccc2)NC(=O)N(N=Cc2ccc[nH+]c2N)C1=O ZINC000764669350 580126188 /nfs/dbraw/zinc/12/61/88/580126188.db2.gz LYUDFMTUXCJVOD-SFHVURJKSA-N 1 2 337.383 1.941 20 30 EDEDLO Cc1cc(C(N)=[NH+]OCC(=O)N2CCOC[C@H]2C2CC2)ccc1F ZINC000765532988 580145086 /nfs/dbraw/zinc/14/50/86/580145086.db2.gz YHTQGMODSWBECY-HNNXBMFYSA-N 1 2 335.379 1.408 20 30 EDEDLO Cc1cccc2c1ncc(C#N)c2N1CC[NH+](CC[S@](C)=O)CC1 ZINC000771146921 580280956 /nfs/dbraw/zinc/28/09/56/580280956.db2.gz NQWOOPJYUQBRAX-DEOSSOPVSA-N 1 2 342.468 1.915 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CCCO1 ZINC000773166097 580329348 /nfs/dbraw/zinc/32/93/48/580329348.db2.gz RQKHLKPPLSAOSL-HOTGVXAUSA-N 1 2 328.416 1.662 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000777006399 580432189 /nfs/dbraw/zinc/43/21/89/580432189.db2.gz JDDDAURRKARFNI-CYBMUJFWSA-N 1 2 347.382 1.347 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000779346124 580484090 /nfs/dbraw/zinc/48/40/90/580484090.db2.gz VBQFUBWVIIPGAC-GVDBMIGSSA-N 1 2 345.443 1.939 20 30 EDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000780044387 580509135 /nfs/dbraw/zinc/50/91/35/580509135.db2.gz LXIYMTHYTJTQEP-ZDUSSCGKSA-N 1 2 341.371 1.319 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000780914959 580537401 /nfs/dbraw/zinc/53/74/01/580537401.db2.gz ICYMOGYNORHAGY-KRWDZBQOSA-N 1 2 333.351 1.489 20 30 EDEDLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780951636 580538572 /nfs/dbraw/zinc/53/85/72/580538572.db2.gz FSKAHCFMATTYOA-INIZCTEOSA-N 1 2 337.370 1.780 20 30 EDEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780951636 580538573 /nfs/dbraw/zinc/53/85/73/580538573.db2.gz FSKAHCFMATTYOA-INIZCTEOSA-N 1 2 337.370 1.780 20 30 EDEDLO N#Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000782029639 580564549 /nfs/dbraw/zinc/56/45/49/580564549.db2.gz YUULDSDWKPCQOX-UHFFFAOYSA-N 1 2 336.395 1.715 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2cccnc2N=NCC2(C)CC2)CC1 ZINC000782229676 580569559 /nfs/dbraw/zinc/56/95/59/580569559.db2.gz AISPRLWYLAMNMK-UHFFFAOYSA-N 1 2 337.449 1.216 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000782302306 580571407 /nfs/dbraw/zinc/57/14/07/580571407.db2.gz LMHHMNAJVYEBRH-DYVFJYSZSA-N 1 2 340.420 1.512 20 30 EDEDLO C[C@H](C(=O)OCC(=O)NC1(C#N)CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000784228215 580615902 /nfs/dbraw/zinc/61/59/02/580615902.db2.gz GYXYTDTZVDBCNR-CQSZACIVSA-N 1 2 341.411 1.539 20 30 EDEDLO C[C@H](C(=O)OCC(=O)NC1(C#N)CCC1)[N@H+]1CCc2ccccc2C1 ZINC000784228215 580615903 /nfs/dbraw/zinc/61/59/03/580615903.db2.gz GYXYTDTZVDBCNR-CQSZACIVSA-N 1 2 341.411 1.539 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2CO)cc1C ZINC000784232565 580616132 /nfs/dbraw/zinc/61/61/32/580616132.db2.gz ANLDRYAJHLOGJH-QGZVFWFLSA-N 1 2 347.484 1.960 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2CO)cc1C ZINC000784232565 580616133 /nfs/dbraw/zinc/61/61/33/580616133.db2.gz ANLDRYAJHLOGJH-QGZVFWFLSA-N 1 2 347.484 1.960 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000785639416 580648417 /nfs/dbraw/zinc/64/84/17/580648417.db2.gz HZNPVFMTALKWFB-OAHLLOKOSA-N 1 2 342.399 1.279 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)C1CCC(F)(F)CC1 ZINC000788700075 580728193 /nfs/dbraw/zinc/72/81/93/580728193.db2.gz NXZIZERHPDLXJA-UHFFFAOYSA-N 1 2 348.463 1.984 20 30 EDEDLO N#Cc1c(=O)n(C[NH+]2CCC3(COC(=O)N3)CC2)cc2c1CCCC2 ZINC000793511042 580846555 /nfs/dbraw/zinc/84/65/55/580846555.db2.gz IBUFETLOBSEINT-UHFFFAOYSA-N 1 2 342.399 1.131 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(O)cc3)C2)nc1 ZINC000794831714 580906627 /nfs/dbraw/zinc/90/66/27/580906627.db2.gz IEOIKOVYMNUEPF-MRXNPFEDSA-N 1 2 338.367 1.751 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc(O)cc3)C2)nc1 ZINC000794831714 580906628 /nfs/dbraw/zinc/90/66/28/580906628.db2.gz IEOIKOVYMNUEPF-MRXNPFEDSA-N 1 2 338.367 1.751 20 30 EDEDLO CN(CC#CC[N@H+](C)[C@@H]1CC(C)(C)OC1=O)[C@@H]1CC(C)(C)OC1=O ZINC000795687312 580933945 /nfs/dbraw/zinc/93/39/45/580933945.db2.gz PZTKGNXOOQGYFX-ZIAGYGMSSA-N 1 2 336.432 1.042 20 30 EDEDLO CN(CC#CC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O)[C@@H]1CC(C)(C)OC1=O ZINC000795687312 580933946 /nfs/dbraw/zinc/93/39/46/580933946.db2.gz PZTKGNXOOQGYFX-ZIAGYGMSSA-N 1 2 336.432 1.042 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000799142938 581018591 /nfs/dbraw/zinc/01/85/91/581018591.db2.gz CWWRUHWZOJZWOJ-OAHLLOKOSA-N 1 2 343.387 1.929 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000799142938 581018592 /nfs/dbraw/zinc/01/85/92/581018592.db2.gz CWWRUHWZOJZWOJ-OAHLLOKOSA-N 1 2 343.387 1.929 20 30 EDEDLO N#CC1(c2ccccn2)CC[NH+](CN2C[C@@]3(CCOC3)CC2=O)CC1 ZINC000799942495 581039455 /nfs/dbraw/zinc/03/94/55/581039455.db2.gz CGNIRGSEJVMSBL-GOSISDBHSA-N 1 2 340.427 1.535 20 30 EDEDLO C[C@H]1C[N@H+](CCOC(=O)c2ccc(NC(=O)CC#N)cc2)CCO1 ZINC000800096824 581042693 /nfs/dbraw/zinc/04/26/93/581042693.db2.gz NIKYUCMAUVGYMW-ZDUSSCGKSA-N 1 2 331.372 1.416 20 30 EDEDLO C[C@H]1C[N@@H+](CCOC(=O)c2ccc(NC(=O)CC#N)cc2)CCO1 ZINC000800096824 581042694 /nfs/dbraw/zinc/04/26/94/581042694.db2.gz NIKYUCMAUVGYMW-ZDUSSCGKSA-N 1 2 331.372 1.416 20 30 EDEDLO C[C@@H]1C[N@H+](CCOC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CCO1 ZINC000800160441 581045628 /nfs/dbraw/zinc/04/56/28/581045628.db2.gz PXPSJFVXNUWXNR-CRAIPNDOSA-N 1 2 343.427 1.791 20 30 EDEDLO C[C@@H]1C[N@@H+](CCOC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CCO1 ZINC000800160441 581045629 /nfs/dbraw/zinc/04/56/29/581045629.db2.gz PXPSJFVXNUWXNR-CRAIPNDOSA-N 1 2 343.427 1.791 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)Nc2cc[nH+]cc2N(C)C)c1 ZINC000801922781 581088086 /nfs/dbraw/zinc/08/80/86/581088086.db2.gz OMOUWTQUQWZEKT-UHFFFAOYSA-N 1 2 337.383 1.311 20 30 EDEDLO CCO[C@@H](C)c1noc(CN2CC[NH+](CCO[C@H](C)C#N)CC2)n1 ZINC000801923587 581088121 /nfs/dbraw/zinc/08/81/21/581088121.db2.gz LGRWAKAFHMZDIG-KGLIPLIRSA-N 1 2 337.424 1.213 20 30 EDEDLO C=CCOc1ccc(OS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000866892285 590843091 /nfs/dbraw/zinc/84/30/91/590843091.db2.gz SEDIVGZOOQBWGS-HNNXBMFYSA-N 1 2 327.402 1.291 20 30 EDEDLO C=CCOc1ccc(OS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000866892285 590843093 /nfs/dbraw/zinc/84/30/93/590843093.db2.gz SEDIVGZOOQBWGS-HNNXBMFYSA-N 1 2 327.402 1.291 20 30 EDEDLO Cc1ccc([C@@H](NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)C2CC2)cc1 ZINC000592147718 590852186 /nfs/dbraw/zinc/85/21/86/590852186.db2.gz RNSQCPSTZDAMTC-MOPGFXCFSA-N 1 2 327.428 1.913 20 30 EDEDLO Cc1ccc([C@@H](NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)C2CC2)cc1 ZINC000592147718 590852189 /nfs/dbraw/zinc/85/21/89/590852189.db2.gz RNSQCPSTZDAMTC-MOPGFXCFSA-N 1 2 327.428 1.913 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)CCc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893564941 590963390 /nfs/dbraw/zinc/96/33/90/590963390.db2.gz CVWGMYMEKNJGEB-MAUKXSAKSA-N 1 2 330.384 1.670 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)CCc2ccc(C#N)cc2)C[N@H+]1C ZINC000893564941 590963392 /nfs/dbraw/zinc/96/33/92/590963392.db2.gz CVWGMYMEKNJGEB-MAUKXSAKSA-N 1 2 330.384 1.670 20 30 EDEDLO C=CCOc1ccc(CC(=O)O[C@H]2C[N@H+](C)[C@@](C)(C(=O)OC)C2)cc1 ZINC000893581286 590985533 /nfs/dbraw/zinc/98/55/33/590985533.db2.gz XASCYSREHPWAPL-VQIMIIECSA-N 1 2 347.411 1.973 20 30 EDEDLO C=CCOc1ccc(CC(=O)O[C@H]2C[N@@H+](C)[C@@](C)(C(=O)OC)C2)cc1 ZINC000893581286 590985537 /nfs/dbraw/zinc/98/55/37/590985537.db2.gz XASCYSREHPWAPL-VQIMIIECSA-N 1 2 347.411 1.973 20 30 EDEDLO CN(C(=O)[C@@H](O)c1ccc(C#N)cc1)C(C)(C)C[NH+]1CCOCC1 ZINC000840567962 591004754 /nfs/dbraw/zinc/00/47/54/591004754.db2.gz FURDUNANDJZADD-INIZCTEOSA-N 1 2 331.416 1.161 20 30 EDEDLO N#CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccn1 ZINC000892472062 591039341 /nfs/dbraw/zinc/03/93/41/591039341.db2.gz YUZRQDAWKPOEGH-KRWDZBQOSA-N 1 2 336.395 1.839 20 30 EDEDLO N#CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccn1 ZINC000892472062 591039345 /nfs/dbraw/zinc/03/93/45/591039345.db2.gz YUZRQDAWKPOEGH-KRWDZBQOSA-N 1 2 336.395 1.839 20 30 EDEDLO O=C(NCC#C[C@@H]1CCCCO1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892563197 591074296 /nfs/dbraw/zinc/07/42/96/591074296.db2.gz PYZLXEWUHVCDKJ-INIZCTEOSA-N 1 2 339.399 1.639 20 30 EDEDLO C#CCNC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2cc[nH+]c21 ZINC000891568256 591130313 /nfs/dbraw/zinc/13/03/13/591130313.db2.gz PEZWVRLPIKBXPV-GFCCVEGCSA-N 1 2 345.403 1.206 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(SC)c2)C1 ZINC000891606521 591147329 /nfs/dbraw/zinc/14/73/29/591147329.db2.gz OLECZDAURKQVCA-CQSZACIVSA-N 1 2 331.441 1.561 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(SC)c2)C1 ZINC000891606521 591147331 /nfs/dbraw/zinc/14/73/31/591147331.db2.gz OLECZDAURKQVCA-CQSZACIVSA-N 1 2 331.441 1.561 20 30 EDEDLO C#CC[NH+]1CCC(Nc2ccc3c(c2)S(=O)(=O)N=C3Cl)CC1 ZINC000895808818 591274407 /nfs/dbraw/zinc/27/44/07/591274407.db2.gz SJXVYLVIKIMXLJ-UHFFFAOYSA-N 1 2 337.832 1.884 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000898537067 591397411 /nfs/dbraw/zinc/39/74/11/591397411.db2.gz WJUYGHDSPXISOL-INIZCTEOSA-N 1 2 326.400 1.775 20 30 EDEDLO C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C(=O)O1 ZINC000896327731 591428458 /nfs/dbraw/zinc/42/84/58/591428458.db2.gz BDBVATNSBHUITL-CJNGLKHVSA-N 1 2 342.399 1.089 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1F ZINC000898727249 591491550 /nfs/dbraw/zinc/49/15/50/591491550.db2.gz SMTXQTZHLLWCQU-WFASDCNBSA-N 1 2 348.353 1.471 20 30 EDEDLO N#CCC(=O)N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000895066149 591560412 /nfs/dbraw/zinc/56/04/12/591560412.db2.gz OGXBJCJSBRBISH-UHFFFAOYSA-N 1 2 338.205 1.713 20 30 EDEDLO COc1ccc(C[NH2+][C@H]2CCCN(O)C2=O)c(Br)c1 ZINC000895157715 591624074 /nfs/dbraw/zinc/62/40/74/591624074.db2.gz FBWKCOYPIWQMAC-LBPRGKRZSA-N 1 2 329.194 1.928 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)N2CCOC2=O)CC1 ZINC000728314254 591685571 /nfs/dbraw/zinc/68/55/71/591685571.db2.gz MQIRXIAVMYSNKM-KRWDZBQOSA-N 1 2 341.411 1.347 20 30 EDEDLO C#CCOc1ccccc1C[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000895265703 591691180 /nfs/dbraw/zinc/69/11/80/591691180.db2.gz BAXTWAZCFAOFAO-UHFFFAOYSA-N 1 2 325.416 1.443 20 30 EDEDLO CCOc1ccc(/C=[NH+]\CCCCn2cc(C(N)=O)nn2)c(O)c1 ZINC000840712611 591741979 /nfs/dbraw/zinc/74/19/79/591741979.db2.gz KBXATRKDVGJGTI-ZDLGFXPLSA-N 1 2 331.376 1.381 20 30 EDEDLO C(#C[C@H]1CCCCO1)CNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000899262356 591753060 /nfs/dbraw/zinc/75/30/60/591753060.db2.gz JPJAGKQCMIWGKR-CYBMUJFWSA-N 1 2 335.371 1.590 20 30 EDEDLO CC[C@]1(C(C)C)NC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902599370 592021943 /nfs/dbraw/zinc/02/19/43/592021943.db2.gz ARRZKZYSXCJXOF-GOSISDBHSA-N 1 2 349.431 1.638 20 30 EDEDLO CC(C)[C@H]1N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C(=O)[C@]12CCCO2 ZINC000902599609 592022460 /nfs/dbraw/zinc/02/24/60/592022460.db2.gz HQXJVHAARAXLNX-APWZRJJASA-N 1 2 348.443 1.698 20 30 EDEDLO CN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccc(C#N)cc1 ZINC000903637022 592258227 /nfs/dbraw/zinc/25/82/27/592258227.db2.gz QETHWHCVRKSBCQ-SJORKVTESA-N 1 2 329.400 1.401 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(C[C@@]2(C)CC2(Cl)Cl)no1 ZINC000904123341 592431361 /nfs/dbraw/zinc/43/13/61/592431361.db2.gz KLKXICKRQMQYDR-UFBFGSQYSA-N 1 2 334.203 1.795 20 30 EDEDLO CO[C@H]1CC[N@H+](Cc2nc(C(=O)N(C[C@H](C)C#N)C3CC3)co2)C1 ZINC000907120322 592519728 /nfs/dbraw/zinc/51/97/28/592519728.db2.gz BWFMNCBMGCECHJ-OCCSQVGLSA-N 1 2 332.404 1.660 20 30 EDEDLO CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N(C[C@H](C)C#N)C3CC3)co2)C1 ZINC000907120322 592519731 /nfs/dbraw/zinc/51/97/31/592519731.db2.gz BWFMNCBMGCECHJ-OCCSQVGLSA-N 1 2 332.404 1.660 20 30 EDEDLO CCO[C@@H]1CCCC(=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000905421403 592526148 /nfs/dbraw/zinc/52/61/48/592526148.db2.gz AVVJMNQIWWQJIQ-CQSZACIVSA-N 1 2 328.482 1.118 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CC[NH+](C(C)(C)COC)CC2)cc1 ZINC000907252381 592572310 /nfs/dbraw/zinc/57/23/10/592572310.db2.gz BTNURSOCQXGMKM-UHFFFAOYSA-N 1 2 336.457 1.399 20 30 EDEDLO C=CC[C@@H]([NH2+]C[C@H](Cc1ccc(F)cc1C)C(=O)NC)C(=O)OC ZINC000905779731 592636542 /nfs/dbraw/zinc/63/65/42/592636542.db2.gz OASZHAVEQNEEIA-GOEBONIOSA-N 1 2 336.407 1.746 20 30 EDEDLO C[C@@H]1CN(C(=O)C(F)(F)c2ccccc2C#N)C[C@H](C)[N@H+]1CCO ZINC000909031940 592708257 /nfs/dbraw/zinc/70/82/57/592708257.db2.gz FXRPXMFFLNJEPK-BETUJISGSA-N 1 2 337.370 1.564 20 30 EDEDLO C[C@@H]1CN(C(=O)C(F)(F)c2ccccc2C#N)C[C@H](C)[N@@H+]1CCO ZINC000909031940 592708258 /nfs/dbraw/zinc/70/82/58/592708258.db2.gz FXRPXMFFLNJEPK-BETUJISGSA-N 1 2 337.370 1.564 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C(CO)CO ZINC000909304299 592803547 /nfs/dbraw/zinc/80/35/47/592803547.db2.gz QNWBORMWSKKIOE-PBHICJAKSA-N 1 2 345.399 1.400 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000840738810 593061863 /nfs/dbraw/zinc/06/18/63/593061863.db2.gz HCDBMSYTWRLTCS-CQSZACIVSA-N 1 2 336.436 1.228 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000840738810 593061865 /nfs/dbraw/zinc/06/18/65/593061865.db2.gz HCDBMSYTWRLTCS-CQSZACIVSA-N 1 2 336.436 1.228 20 30 EDEDLO C#Cc1ccc(CNC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000838641836 593200288 /nfs/dbraw/zinc/20/02/88/593200288.db2.gz CKFIMGMTGHVNCZ-UHFFFAOYSA-N 1 2 337.427 1.429 20 30 EDEDLO C=CC[N@@H+](CN1C(=O)N[C@](C)(CCC(=O)OCC)C1=O)C(C)C ZINC000808142492 593227107 /nfs/dbraw/zinc/22/71/07/593227107.db2.gz UARVVXSRCHPRAL-MRXNPFEDSA-N 1 2 325.409 1.494 20 30 EDEDLO C=CC[N@H+](CN1C(=O)N[C@](C)(CCC(=O)OCC)C1=O)C(C)C ZINC000808142492 593227109 /nfs/dbraw/zinc/22/71/09/593227109.db2.gz UARVVXSRCHPRAL-MRXNPFEDSA-N 1 2 325.409 1.494 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3cc(O)cc(C#N)c3)CC2)S1 ZINC000809687591 593354616 /nfs/dbraw/zinc/35/46/16/593354616.db2.gz KXPWBCCLRKXUPH-UHFFFAOYSA-N 1 2 344.440 1.903 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000803781186 593363044 /nfs/dbraw/zinc/36/30/44/593363044.db2.gz DZGDDHOTKDFGIN-KRWDZBQOSA-N 1 2 333.388 1.407 20 30 EDEDLO COC(=O)[C@@H]1CSCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000840186587 593366299 /nfs/dbraw/zinc/36/62/99/593366299.db2.gz PQICKTGLUNQDEW-ZDUSSCGKSA-N 1 2 347.440 1.004 20 30 EDEDLO COC(=O)[C@@H]1CSCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000840186587 593366302 /nfs/dbraw/zinc/36/63/02/593366302.db2.gz PQICKTGLUNQDEW-ZDUSSCGKSA-N 1 2 347.440 1.004 20 30 EDEDLO C#CCNC(=S)N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000758230293 593397599 /nfs/dbraw/zinc/39/75/99/593397599.db2.gz NKMJJGZBRUTKFN-HNNXBMFYSA-N 1 2 337.876 1.499 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000813376603 593530419 /nfs/dbraw/zinc/53/04/19/593530419.db2.gz RBRPGCKUFHRLNG-GOSISDBHSA-N 1 2 341.415 1.125 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000816673030 593538970 /nfs/dbraw/zinc/53/89/70/593538970.db2.gz POFDKUVVXXGUIW-INIZCTEOSA-N 1 2 340.383 1.026 20 30 EDEDLO C#CCC(CC#C)C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000816683126 593540337 /nfs/dbraw/zinc/54/03/37/593540337.db2.gz UBQJNMLIKQOQOD-KRWDZBQOSA-N 1 2 334.485 1.316 20 30 EDEDLO O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000816758350 593549105 /nfs/dbraw/zinc/54/91/05/593549105.db2.gz NPLMSVBMNLPFTO-CVEARBPZSA-N 1 2 349.406 1.677 20 30 EDEDLO O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000816758350 593549107 /nfs/dbraw/zinc/54/91/07/593549107.db2.gz NPLMSVBMNLPFTO-CVEARBPZSA-N 1 2 349.406 1.677 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NN=Cc3cocn3)cc2)CC1 ZINC000814833955 593604416 /nfs/dbraw/zinc/60/44/16/593604416.db2.gz MUGMZVGZFRGISG-UHFFFAOYSA-N 1 2 349.416 1.057 20 30 EDEDLO CN(C)c1ncc(C=[NH+]Nc2ccccc2S(=O)(=O)N(C)C)cn1 ZINC000814939530 593607743 /nfs/dbraw/zinc/60/77/43/593607743.db2.gz UCERRVXUVDQQIB-UHFFFAOYSA-N 1 2 348.432 1.239 20 30 EDEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](CCOCCC#N)CCO1 ZINC000815063129 593612772 /nfs/dbraw/zinc/61/27/72/593612772.db2.gz WGKLCXMMJKGJOV-ZIAGYGMSSA-N 1 2 327.425 1.531 20 30 EDEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCOCCC#N)CCO1 ZINC000815063129 593612774 /nfs/dbraw/zinc/61/27/74/593612774.db2.gz WGKLCXMMJKGJOV-ZIAGYGMSSA-N 1 2 327.425 1.531 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000815697648 593648021 /nfs/dbraw/zinc/64/80/21/593648021.db2.gz JCBJDXWTRMTBDR-LBPRGKRZSA-N 1 2 329.429 1.511 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000820641018 593851160 /nfs/dbraw/zinc/85/11/60/593851160.db2.gz YSTGNITVKIFGOK-CQSZACIVSA-N 1 2 337.445 1.710 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1nccc2[nH]ccc21 ZINC000824900514 594094127 /nfs/dbraw/zinc/09/41/27/594094127.db2.gz BKCPXJYXIYLPQY-UHFFFAOYSA-N 1 2 327.388 1.251 20 30 EDEDLO CON=Cc1ccc(C(=O)N2CC[NH+](Cc3cn[nH]c3)CC2)cc1 ZINC000823053004 594145340 /nfs/dbraw/zinc/14/53/40/594145340.db2.gz SWNFRLJUDWOZNZ-UHFFFAOYSA-N 1 2 327.388 1.348 20 30 EDEDLO C#CC[C@H]1CCC[N@@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C1 ZINC000829800007 594267077 /nfs/dbraw/zinc/26/70/77/594267077.db2.gz SRJODTOPMNOHKZ-LBPRGKRZSA-N 1 2 341.440 1.878 20 30 EDEDLO C#CC[C@H]1CCC[N@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)C1 ZINC000829800007 594267079 /nfs/dbraw/zinc/26/70/79/594267079.db2.gz SRJODTOPMNOHKZ-LBPRGKRZSA-N 1 2 341.440 1.878 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C2 ZINC000829491343 594625063 /nfs/dbraw/zinc/62/50/63/594625063.db2.gz FQOWBTGFMWDHJP-HKUYNNGSSA-N 1 2 339.439 1.785 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C2 ZINC000829491343 594625065 /nfs/dbraw/zinc/62/50/65/594625065.db2.gz FQOWBTGFMWDHJP-HKUYNNGSSA-N 1 2 339.439 1.785 20 30 EDEDLO C[NH+]1CCN(C2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)CC1 ZINC000827440420 594672282 /nfs/dbraw/zinc/67/22/82/594672282.db2.gz XLSBCOBYTPHXFI-UHFFFAOYSA-N 1 2 328.416 1.116 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000836627127 594981744 /nfs/dbraw/zinc/98/17/44/594981744.db2.gz HIZRIDSLOZVSHJ-WFASDCNBSA-N 1 2 337.383 1.808 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1CON=C(N)C[NH+]1CCSCC1 ZINC000842040648 595007732 /nfs/dbraw/zinc/00/77/32/595007732.db2.gz KFXSVMQHXPBDEB-UHFFFAOYSA-N 1 2 335.389 1.514 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000843248106 595050685 /nfs/dbraw/zinc/05/06/85/595050685.db2.gz JCFKFPPDOZMGAD-HZPDHXFCSA-N 1 2 328.416 1.309 20 30 EDEDLO C#CC[C@H]1NC(=O)N([C@@H](c2[nH+]ccn2C)c2ccccc2OC)C1=O ZINC000843304731 595068290 /nfs/dbraw/zinc/06/82/90/595068290.db2.gz AUHLRCMMXQEEPO-UKRRQHHQSA-N 1 2 338.367 1.462 20 30 EDEDLO C#CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)CC1 ZINC000843707541 595170549 /nfs/dbraw/zinc/17/05/49/595170549.db2.gz VUQSLQFVYDWNJW-LJQANCHMSA-N 1 2 325.456 1.847 20 30 EDEDLO C#CC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C(=O)OC ZINC000837942227 595233566 /nfs/dbraw/zinc/23/35/66/595233566.db2.gz CHMXEHOUQUHNLJ-IRXDYDNUSA-N 1 2 346.402 1.861 20 30 EDEDLO C#CC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C(=O)OC ZINC000837942227 595233569 /nfs/dbraw/zinc/23/35/69/595233569.db2.gz CHMXEHOUQUHNLJ-IRXDYDNUSA-N 1 2 346.402 1.861 20 30 EDEDLO C#Cc1ccccc1CC(=O)O[C@H](COC)C[N@@H+]1CCO[C@@H](C)C1 ZINC000842962069 595243628 /nfs/dbraw/zinc/24/36/28/595243628.db2.gz CNFZZHHCIFCBAO-YJBOKZPZSA-N 1 2 331.412 1.489 20 30 EDEDLO C#Cc1ccccc1CC(=O)O[C@H](COC)C[N@H+]1CCO[C@@H](C)C1 ZINC000842962069 595243630 /nfs/dbraw/zinc/24/36/30/595243630.db2.gz CNFZZHHCIFCBAO-YJBOKZPZSA-N 1 2 331.412 1.489 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCO[C@@H]3C)n2CC(=C)C)CC1 ZINC000843015438 595264866 /nfs/dbraw/zinc/26/48/66/595264866.db2.gz WEPNXWZRXJUADR-CVEARBPZSA-N 1 2 329.448 1.502 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)CC2)n1 ZINC000844317889 595322958 /nfs/dbraw/zinc/32/29/58/595322958.db2.gz PUARQASMPCSIEG-OAHLLOKOSA-N 1 2 327.388 1.058 20 30 EDEDLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000844393126 595335985 /nfs/dbraw/zinc/33/59/85/595335985.db2.gz ORAQDGFTTFNBPP-KDARVREZSA-N 1 2 344.455 1.949 20 30 EDEDLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000844393126 595335988 /nfs/dbraw/zinc/33/59/88/595335988.db2.gz ORAQDGFTTFNBPP-KDARVREZSA-N 1 2 344.455 1.949 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000847036010 595354622 /nfs/dbraw/zinc/35/46/22/595354622.db2.gz OEVCLVDFAGZRQU-CQSZACIVSA-N 1 2 334.441 1.052 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000847036010 595354624 /nfs/dbraw/zinc/35/46/24/595354624.db2.gz OEVCLVDFAGZRQU-CQSZACIVSA-N 1 2 334.441 1.052 20 30 EDEDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNCCCn1cc[nH+]c1 ZINC000848418206 595375548 /nfs/dbraw/zinc/37/55/48/595375548.db2.gz JQRZCBYNUBUKCI-UHFFFAOYSA-N 1 2 346.435 1.662 20 30 EDEDLO C#CCNC(=O)c1ccccc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845308887 595477579 /nfs/dbraw/zinc/47/75/79/595477579.db2.gz BMCRCZFMUFYMOH-UHFFFAOYSA-N 1 2 336.395 1.764 20 30 EDEDLO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857885335 595641784 /nfs/dbraw/zinc/64/17/84/595641784.db2.gz RNACMENAZTVEIT-JSGCOSHPSA-N 1 2 347.419 1.511 20 30 EDEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000113240811 595674393 /nfs/dbraw/zinc/67/43/93/595674393.db2.gz GPZSDUIGOXPUJH-SFHVURJKSA-N 1 2 344.415 1.685 20 30 EDEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000113240811 595674394 /nfs/dbraw/zinc/67/43/94/595674394.db2.gz GPZSDUIGOXPUJH-SFHVURJKSA-N 1 2 344.415 1.685 20 30 EDEDLO CCCCCCCNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000858109661 595702470 /nfs/dbraw/zinc/70/24/70/595702470.db2.gz ZGVKEFZMCDOYDR-HNNXBMFYSA-N 1 2 338.496 1.951 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000858117038 595703182 /nfs/dbraw/zinc/70/31/82/595703182.db2.gz XOAMHOMMKRDSDH-ROUUACIJSA-N 1 2 345.443 1.397 20 30 EDEDLO COc1ccc(CNC(=S)NN=Cc2c[nH+]c3n2CCC3)cc1 ZINC000853269436 595723928 /nfs/dbraw/zinc/72/39/28/595723928.db2.gz QCMPLMVWOKYLLW-UHFFFAOYSA-N 1 2 329.429 1.836 20 30 EDEDLO C#CCOCCO[NH+]=C(N)C(C)(C)NC(=O)c1cccc(Cl)c1 ZINC000853670671 595851359 /nfs/dbraw/zinc/85/13/59/595851359.db2.gz PDUKMUYXTRKQJW-UHFFFAOYSA-N 1 2 337.807 1.997 20 30 EDEDLO N#Cc1ccc([C@@H](O)C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000856072320 595888106 /nfs/dbraw/zinc/88/81/06/595888106.db2.gz KZTLZISHQVTKNR-GOSISDBHSA-N 1 2 343.427 1.162 20 30 EDEDLO C#CCCOC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000858884246 595914385 /nfs/dbraw/zinc/91/43/85/595914385.db2.gz KRZYSVOYJXGBJH-UHFFFAOYSA-N 1 2 330.384 1.735 20 30 EDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000853990916 595943846 /nfs/dbraw/zinc/94/38/46/595943846.db2.gz XPUFWSXONJCVPO-WCQYABFASA-N 1 2 348.407 1.310 20 30 EDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000853990916 595943848 /nfs/dbraw/zinc/94/38/48/595943848.db2.gz XPUFWSXONJCVPO-WCQYABFASA-N 1 2 348.407 1.310 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000859023431 595952481 /nfs/dbraw/zinc/95/24/81/595952481.db2.gz ZEPRALCNHDIHBZ-AEFFLSMTSA-N 1 2 344.459 1.898 20 30 EDEDLO C#Cc1cncc(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856613716 596035492 /nfs/dbraw/zinc/03/54/92/596035492.db2.gz FHXSSJBGCMCPQI-DLBZAZTESA-N 1 2 334.379 1.054 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1)C(C)C ZINC000852303870 596118493 /nfs/dbraw/zinc/11/84/93/596118493.db2.gz BJUSHWQDICFVCK-OALUTQOASA-N 1 2 342.487 1.760 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1)C(C)C ZINC000852303870 596118494 /nfs/dbraw/zinc/11/84/94/596118494.db2.gz BJUSHWQDICFVCK-OALUTQOASA-N 1 2 342.487 1.760 20 30 EDEDLO CON=Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000854731129 596178721 /nfs/dbraw/zinc/17/87/21/596178721.db2.gz XKTFJPPKMHOEFQ-KRWDZBQOSA-N 1 2 331.416 1.604 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000859823384 596203354 /nfs/dbraw/zinc/20/33/54/596203354.db2.gz CVACQKXYFXQQOO-RYQLBKOJSA-N 1 2 332.400 1.085 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000859823384 596203356 /nfs/dbraw/zinc/20/33/56/596203356.db2.gz CVACQKXYFXQQOO-RYQLBKOJSA-N 1 2 332.400 1.085 20 30 EDEDLO C#CCC[N@@H+](CCOC)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000852751752 596237769 /nfs/dbraw/zinc/23/77/69/596237769.db2.gz MBEMMWQWYOWZML-INIZCTEOSA-N 1 2 325.430 1.095 20 30 EDEDLO C#CCC[N@H+](CCOC)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000852751752 596237770 /nfs/dbraw/zinc/23/77/70/596237770.db2.gz MBEMMWQWYOWZML-INIZCTEOSA-N 1 2 325.430 1.095 20 30 EDEDLO C#CCOc1ccc(C[NH+]2CCN(CC(=O)NCC=C)CC2)cc1 ZINC000122237095 596246866 /nfs/dbraw/zinc/24/68/66/596246866.db2.gz CHOWPWZDOMQULU-UHFFFAOYSA-N 1 2 327.428 1.118 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000869100888 596408861 /nfs/dbraw/zinc/40/88/61/596408861.db2.gz LKLHAMVKVAMUFL-ROUUACIJSA-N 1 2 347.459 1.432 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000869100888 596408863 /nfs/dbraw/zinc/40/88/63/596408863.db2.gz LKLHAMVKVAMUFL-ROUUACIJSA-N 1 2 347.459 1.432 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1F ZINC000867713136 596511066 /nfs/dbraw/zinc/51/10/66/596511066.db2.gz MTBDRUQIINBASB-LBPRGKRZSA-N 1 2 329.372 1.410 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1F ZINC000867713136 596511069 /nfs/dbraw/zinc/51/10/69/596511069.db2.gz MTBDRUQIINBASB-LBPRGKRZSA-N 1 2 329.372 1.410 20 30 EDEDLO COC(=O)CCN(CC#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000871344659 596537985 /nfs/dbraw/zinc/53/79/85/596537985.db2.gz UTVLMGJKBFZZAA-HNNXBMFYSA-N 1 2 340.383 1.847 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)C1=O ZINC000865325281 596539855 /nfs/dbraw/zinc/53/98/55/596539855.db2.gz YMWHHLZRTGGHNS-IRXDYDNUSA-N 1 2 341.411 1.140 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)C1=O ZINC000865325281 596539857 /nfs/dbraw/zinc/53/98/57/596539857.db2.gz YMWHHLZRTGGHNS-IRXDYDNUSA-N 1 2 341.411 1.140 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)c2ccc(Br)cc2)nn1 ZINC000871619392 596652245 /nfs/dbraw/zinc/65/22/45/596652245.db2.gz ODFBHDYYMKFYIJ-OAHLLOKOSA-N 1 2 349.232 1.887 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)COC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000869973034 596694314 /nfs/dbraw/zinc/69/43/14/596694314.db2.gz XKYOUCAOTMIZNT-QGZVFWFLSA-N 1 2 346.362 1.614 20 30 EDEDLO CO[C@H]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)Cc3ccc[nH+]c3N2C1 ZINC000866080306 596780341 /nfs/dbraw/zinc/78/03/41/596780341.db2.gz PZMVPCCMZZCETI-HOTGVXAUSA-N 1 2 337.383 1.531 20 30 EDEDLO C#CCCCCNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000868395905 596819675 /nfs/dbraw/zinc/81/96/75/596819675.db2.gz DGXOTMRPQBQGQS-UHFFFAOYSA-N 1 2 337.464 1.895 20 30 EDEDLO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866228162 596834165 /nfs/dbraw/zinc/83/41/65/596834165.db2.gz GJKLFPZFCXQALQ-AWEZNQCLSA-N 1 2 344.459 1.905 20 30 EDEDLO Cn1ncc2c1nc(N=NC1CCC[N@@H+]3CCSC[C@@H]13)[nH]c2=O ZINC000872352396 596884177 /nfs/dbraw/zinc/88/41/77/596884177.db2.gz PXTGBGCPCVUDOI-NSHDSACASA-N 1 2 333.421 1.048 20 30 EDEDLO Cn1ncc2c1nc(N=NC1CCC[N@H+]3CCSC[C@@H]13)[nH]c2=O ZINC000872352396 596884178 /nfs/dbraw/zinc/88/41/78/596884178.db2.gz PXTGBGCPCVUDOI-NSHDSACASA-N 1 2 333.421 1.048 20 30 EDEDLO Cc1cc([N-][NH+]=Cc2ccc(N3CCC(O)CC3)cc2)nc(N)[nH+]1 ZINC000872421527 596902850 /nfs/dbraw/zinc/90/28/50/596902850.db2.gz NOGSBAXZOWORGI-UHFFFAOYSA-N 1 2 326.404 1.774 20 30 EDEDLO C=CC(C)(C)CCCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000875831742 597001340 /nfs/dbraw/zinc/00/13/40/597001340.db2.gz KNQVTZOGJDCDSH-UHFFFAOYSA-N 1 2 339.480 1.322 20 30 EDEDLO C=CC(C)(C)CCCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000875831742 597001341 /nfs/dbraw/zinc/00/13/41/597001341.db2.gz KNQVTZOGJDCDSH-UHFFFAOYSA-N 1 2 339.480 1.322 20 30 EDEDLO Cc1cc(N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c(C#N)c[nH+]1 ZINC000872682649 597031712 /nfs/dbraw/zinc/03/17/12/597031712.db2.gz QMLWKRLSCNGXFS-OIISXLGYSA-N 1 2 342.443 1.898 20 30 EDEDLO CCC[C@@H]1CC(=O)N(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000872793279 597072487 /nfs/dbraw/zinc/07/24/87/597072487.db2.gz QVDOFIDMAWBRQY-OAHLLOKOSA-N 1 2 327.432 1.681 20 30 EDEDLO C=CCc1cc(OC)cc(C[NH+]2CCN([S@@](C)(=N)=O)CC2)c1O ZINC000872797033 597074635 /nfs/dbraw/zinc/07/46/35/597074635.db2.gz OLVSCGRRBIXOIL-HSZRJFAPSA-N 1 2 339.461 1.838 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)[C@@H](C)CO1 ZINC000876278159 597159182 /nfs/dbraw/zinc/15/91/82/597159182.db2.gz CPRYFJDTOOYWAT-IYOUNJFTSA-N 1 2 342.443 1.434 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)[C@@H](C)CO1 ZINC000876278159 597159184 /nfs/dbraw/zinc/15/91/84/597159184.db2.gz CPRYFJDTOOYWAT-IYOUNJFTSA-N 1 2 342.443 1.434 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1C#N ZINC000874843309 597196088 /nfs/dbraw/zinc/19/60/88/597196088.db2.gz NJJHQNSYQQOGJG-QWHCGFSZSA-N 1 2 332.429 1.689 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1C#N ZINC000874843309 597196091 /nfs/dbraw/zinc/19/60/91/597196091.db2.gz NJJHQNSYQQOGJG-QWHCGFSZSA-N 1 2 332.429 1.689 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875291979 597371292 /nfs/dbraw/zinc/37/12/92/597371292.db2.gz RYQUQQAJYVNQPR-KRWDZBQOSA-N 1 2 345.443 1.609 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875291979 597371296 /nfs/dbraw/zinc/37/12/96/597371296.db2.gz RYQUQQAJYVNQPR-KRWDZBQOSA-N 1 2 345.443 1.609 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000875405348 597415166 /nfs/dbraw/zinc/41/51/66/597415166.db2.gz SNNWANTXNQLZOM-MRXNPFEDSA-N 1 2 346.431 1.477 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(OC)c(C#N)c1 ZINC000875405348 597415168 /nfs/dbraw/zinc/41/51/68/597415168.db2.gz SNNWANTXNQLZOM-MRXNPFEDSA-N 1 2 346.431 1.477 20 30 EDEDLO CO[C@@H]1C[C@H]2CN(C(=O)NC[C@@H](C)C#N)Cc3ccc[nH+]c3N2C1 ZINC000875476740 597444703 /nfs/dbraw/zinc/44/47/03/597444703.db2.gz QMYNKAWFULGHAH-AEGPPILISA-N 1 2 329.404 1.360 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000877656439 597545474 /nfs/dbraw/zinc/54/54/74/597545474.db2.gz INDXLXYWGBJBAL-CVEARBPZSA-N 1 2 333.457 1.776 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000877656439 597545475 /nfs/dbraw/zinc/54/54/75/597545475.db2.gz INDXLXYWGBJBAL-CVEARBPZSA-N 1 2 333.457 1.776 20 30 EDEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)n1 ZINC000877799923 597558554 /nfs/dbraw/zinc/55/85/54/597558554.db2.gz AEDKQTNOHAOTQL-UMVBOHGHSA-N 1 2 348.472 1.646 20 30 EDEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)n1 ZINC000877799923 597558555 /nfs/dbraw/zinc/55/85/55/597558555.db2.gz AEDKQTNOHAOTQL-UMVBOHGHSA-N 1 2 348.472 1.646 20 30 EDEDLO C=C(C)C[C@H](CO)NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000883794666 597904035 /nfs/dbraw/zinc/90/40/35/597904035.db2.gz KDQAPHAANFWWKS-CQSZACIVSA-N 1 2 335.452 1.947 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000127791380 597928933 /nfs/dbraw/zinc/92/89/33/597928933.db2.gz UCRLFGDCOOIWHC-UHFFFAOYSA-N 1 2 337.826 1.688 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000127791380 597928934 /nfs/dbraw/zinc/92/89/34/597928934.db2.gz UCRLFGDCOOIWHC-UHFFFAOYSA-N 1 2 337.826 1.688 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(c2ccccc2OC)CC1 ZINC000884117232 597999088 /nfs/dbraw/zinc/99/90/88/597999088.db2.gz UMCRJTVXIKUVLV-AWEZNQCLSA-N 1 2 332.400 1.290 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(Cl)ccc1N(C)C ZINC000884195671 598023259 /nfs/dbraw/zinc/02/32/59/598023259.db2.gz VTOKHGRCPJPLJR-NSHDSACASA-N 1 2 325.796 1.791 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(C2CC2)c2ccccc21 ZINC000884316280 598063107 /nfs/dbraw/zinc/06/31/07/598063107.db2.gz OEOXANIQYJTRJU-AWEZNQCLSA-N 1 2 329.400 1.449 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000884323996 598067339 /nfs/dbraw/zinc/06/73/39/598067339.db2.gz DTOASZNZLHRDAJ-DLBZAZTESA-N 1 2 346.427 1.596 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000884418934 598099847 /nfs/dbraw/zinc/09/98/47/598099847.db2.gz APAIJLBINROXQA-DCAQKATOSA-N 1 2 338.326 1.001 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@@H+]1Cc1ccn(C)n1 ZINC000993211731 695810194 /nfs/dbraw/zinc/81/01/94/695810194.db2.gz YIZWPJYIPQIOST-SWLSCSKDSA-N 1 2 326.404 1.403 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CCC[N@H+]1Cc1ccn(C)n1 ZINC000993211731 695810195 /nfs/dbraw/zinc/81/01/95/695810195.db2.gz YIZWPJYIPQIOST-SWLSCSKDSA-N 1 2 326.404 1.403 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(CCOC)nn2)[C@@H]1C ZINC000993346244 695998651 /nfs/dbraw/zinc/99/86/51/695998651.db2.gz ILLSXSVQVAIAGH-QWHCGFSZSA-N 1 2 341.843 1.260 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(CCOC)nn2)[C@@H]1C ZINC000993346244 695998652 /nfs/dbraw/zinc/99/86/52/695998652.db2.gz ILLSXSVQVAIAGH-QWHCGFSZSA-N 1 2 341.843 1.260 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2OC)[C@H]1C ZINC000993685917 696308918 /nfs/dbraw/zinc/30/89/18/696308918.db2.gz SZMOTEIPNOVHRR-DGCLKSJQSA-N 1 2 326.828 1.764 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2OC)[C@H]1C ZINC000993685917 696308920 /nfs/dbraw/zinc/30/89/20/696308920.db2.gz SZMOTEIPNOVHRR-DGCLKSJQSA-N 1 2 326.828 1.764 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031314369 696655794 /nfs/dbraw/zinc/65/57/94/696655794.db2.gz RNKNEIZAVKEGEM-GOSISDBHSA-N 1 2 326.440 1.826 20 30 EDEDLO Cc1nnsc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031543069 697229028 /nfs/dbraw/zinc/22/90/28/697229028.db2.gz IBLALXDSEIDHPU-UHFFFAOYSA-N 1 2 345.403 1.719 20 30 EDEDLO Cn1cccc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031553060 697238546 /nfs/dbraw/zinc/23/85/46/697238546.db2.gz UYMGKSSYPNAJMD-UHFFFAOYSA-N 1 2 326.375 1.898 20 30 EDEDLO O=C(C#CC1CC1)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060729883 697257524 /nfs/dbraw/zinc/25/75/24/697257524.db2.gz PWAQTWYUCIDNGI-SHTZXODSSA-N 1 2 328.416 1.157 20 30 EDEDLO Cc1nn(C)cc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031585848 697281450 /nfs/dbraw/zinc/28/14/50/697281450.db2.gz MRNZPBMDMRQPJC-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO CCn1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)cn1 ZINC001031587025 697282827 /nfs/dbraw/zinc/28/28/27/697282827.db2.gz BSDYUHZDJAJTPQ-UHFFFAOYSA-N 1 2 341.390 1.776 20 30 EDEDLO Cc1nc(C[NH+]2CC(CNC(=O)c3cc(C#N)c[nH]3)C2)sc1C ZINC001031603382 697303457 /nfs/dbraw/zinc/30/34/57/697303457.db2.gz NOIIHHFVSOSFBR-UHFFFAOYSA-N 1 2 329.429 1.822 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCCCO3)C2)ccc1F ZINC001031610603 697318997 /nfs/dbraw/zinc/31/89/97/697318997.db2.gz NHWFTNQGXIIDRR-KRWDZBQOSA-N 1 2 331.391 1.814 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000919804736 697336197 /nfs/dbraw/zinc/33/61/97/697336197.db2.gz CAARKWIJVXJNOS-CZUORRHYSA-N 1 2 349.394 1.434 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000919804736 697336199 /nfs/dbraw/zinc/33/61/99/697336199.db2.gz CAARKWIJVXJNOS-CZUORRHYSA-N 1 2 349.394 1.434 20 30 EDEDLO CCn1nncc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031654748 697420575 /nfs/dbraw/zinc/42/05/75/697420575.db2.gz HIMHNRKLKMFEDG-UHFFFAOYSA-N 1 2 342.378 1.171 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2n[nH]cc2C)C1 ZINC001031659873 697432832 /nfs/dbraw/zinc/43/28/32/697432832.db2.gz UTAYWQNJKMJPKL-UHFFFAOYSA-N 1 2 339.399 1.460 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)c1cnon1 ZINC001032063809 697694780 /nfs/dbraw/zinc/69/47/80/697694780.db2.gz QHWKFLWLADHVDD-UHFFFAOYSA-N 1 2 330.775 1.436 20 30 EDEDLO C=CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060751577 697793959 /nfs/dbraw/zinc/79/39/59/697793959.db2.gz SKXWMOLFHHIZNK-RBSFLKMASA-N 1 2 348.447 1.335 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2cccnn2)C1 ZINC001032066235 697812390 /nfs/dbraw/zinc/81/23/90/697812390.db2.gz LZDSMZCERPWJMN-UHFFFAOYSA-N 1 2 337.383 1.219 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000994842974 698226730 /nfs/dbraw/zinc/22/67/30/698226730.db2.gz SLOVGCBOAPFCSE-GOSISDBHSA-N 1 2 332.448 1.856 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccon3)C[C@@H]2C)nn1 ZINC000943483406 698394590 /nfs/dbraw/zinc/39/45/90/698394590.db2.gz WSAIWOVCJNRUQI-GXTWGEPZSA-N 1 2 330.392 1.093 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccon3)C[C@@H]2C)nn1 ZINC000943483406 698394594 /nfs/dbraw/zinc/39/45/94/698394594.db2.gz WSAIWOVCJNRUQI-GXTWGEPZSA-N 1 2 330.392 1.093 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(C)(C)C)on3)CC2)C1 ZINC000941483577 701554309 /nfs/dbraw/zinc/55/43/09/701554309.db2.gz BYSGVJPWHWKWAK-UHFFFAOYSA-N 1 2 330.432 1.047 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001031776116 699151375 /nfs/dbraw/zinc/15/13/75/699151375.db2.gz PGFNIJZIWUUUDZ-INIZCTEOSA-N 1 2 349.438 1.565 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC(=O)N[C@H](CC(C)C)C2)C1 ZINC001031801337 699346011 /nfs/dbraw/zinc/34/60/11/699346011.db2.gz CLOLSOKKBVKQAP-HUUCEWRRSA-N 1 2 341.883 1.728 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CCc3ccccc3C)CC2)C1 ZINC000941582546 701589449 /nfs/dbraw/zinc/58/94/49/701589449.db2.gz QQYOQMWQEJWAAW-UHFFFAOYSA-N 1 2 339.483 1.779 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3nc(CC)oc3C)CC2)C1 ZINC000941600008 701592321 /nfs/dbraw/zinc/59/23/21/701592321.db2.gz QWILAAVGIPEYEY-UHFFFAOYSA-N 1 2 330.432 1.011 20 30 EDEDLO CCc1nnsc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031822879 699594461 /nfs/dbraw/zinc/59/44/61/699594461.db2.gz GHRYONPYSHWDBB-UHFFFAOYSA-N 1 2 347.469 1.895 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCCOC3)CC2)C1 ZINC000941620110 701603777 /nfs/dbraw/zinc/60/37/77/701603777.db2.gz AXUHJWJEBCGSRW-KRWDZBQOSA-N 1 2 333.476 1.045 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3n[nH]c4ccccc43)CC2)C1 ZINC000941656622 701606437 /nfs/dbraw/zinc/60/64/37/701606437.db2.gz FCPZQAXJCSMVIN-UHFFFAOYSA-N 1 2 337.427 1.028 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCN(C3C[NH+](C[C@@H](F)CC)C3)CC2)nc1 ZINC000941641461 701608607 /nfs/dbraw/zinc/60/86/07/701608607.db2.gz BSUZLKHNAKPANM-INIZCTEOSA-N 1 2 344.434 1.253 20 30 EDEDLO Cc1n[nH]cc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031888236 700640256 /nfs/dbraw/zinc/64/02/56/700640256.db2.gz BKRVVZZNVCNDKD-UHFFFAOYSA-N 1 2 326.375 1.571 20 30 EDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000940916074 700985118 /nfs/dbraw/zinc/98/51/18/700985118.db2.gz ZHOZXBREBYDDKX-CABCVRRESA-N 1 2 340.489 1.194 20 30 EDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCS2(=O)=O)C(C)(C)C1 ZINC000940916074 700985119 /nfs/dbraw/zinc/98/51/19/700985119.db2.gz ZHOZXBREBYDDKX-CABCVRRESA-N 1 2 340.489 1.194 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nonc2C)CC1(C)C ZINC000941039307 701061661 /nfs/dbraw/zinc/06/16/61/701061661.db2.gz OJIDBUSTUSOUKC-KBMXLJTQSA-N 1 2 348.447 1.686 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nonc2C)CC1(C)C ZINC000941039307 701061662 /nfs/dbraw/zinc/06/16/62/701061662.db2.gz OJIDBUSTUSOUKC-KBMXLJTQSA-N 1 2 348.447 1.686 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000941088374 701131725 /nfs/dbraw/zinc/13/17/25/701131725.db2.gz BGRRQVHEOISLIE-OAHLLOKOSA-N 1 2 341.415 1.361 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000941088374 701131727 /nfs/dbraw/zinc/13/17/27/701131727.db2.gz BGRRQVHEOISLIE-OAHLLOKOSA-N 1 2 341.415 1.361 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000945999512 701344350 /nfs/dbraw/zinc/34/43/50/701344350.db2.gz AOPZMHPDAMIKCT-GJZGRUSLSA-N 1 2 330.432 1.545 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc(C4CC4)o3)CC2)C1 ZINC000941440552 701541768 /nfs/dbraw/zinc/54/17/68/701541768.db2.gz NEEVTJOHYKOADQ-UHFFFAOYSA-N 1 2 328.416 1.017 20 30 EDEDLO C=C1CCC(C(=O)NC[C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000944329439 701741242 /nfs/dbraw/zinc/74/12/42/701741242.db2.gz UEPSVYLYFGDVAM-MRXNPFEDSA-N 1 2 330.432 1.806 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001032138054 701905473 /nfs/dbraw/zinc/90/54/73/701905473.db2.gz JUMPIUJFJRGVON-INIZCTEOSA-N 1 2 345.830 1.018 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC2(CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000944402663 701907846 /nfs/dbraw/zinc/90/78/46/701907846.db2.gz RHLYVHZVROSWKU-UHFFFAOYSA-N 1 2 344.459 1.936 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC001032173073 702090933 /nfs/dbraw/zinc/09/09/33/702090933.db2.gz LWUYWFBKZWPFMH-UHFFFAOYSA-N 1 2 332.795 1.076 20 30 EDEDLO CCn1ncnc1C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](C)C1 ZINC000941929293 702155751 /nfs/dbraw/zinc/15/57/51/702155751.db2.gz KPZVYIRSEBDIHE-JSGCOSHPSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncnc1C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](C)C1 ZINC000941929293 702155753 /nfs/dbraw/zinc/15/57/53/702155753.db2.gz KPZVYIRSEBDIHE-JSGCOSHPSA-N 1 2 341.419 1.138 20 30 EDEDLO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2-c2cnn(C)c2)[C@H](C)C1 ZINC000944077610 702213445 /nfs/dbraw/zinc/21/34/45/702213445.db2.gz BURLWFMIQNJPFN-CZUORRHYSA-N 1 2 340.431 1.274 20 30 EDEDLO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2-c2cnn(C)c2)[C@H](C)C1 ZINC000944077610 702213453 /nfs/dbraw/zinc/21/34/53/702213453.db2.gz BURLWFMIQNJPFN-CZUORRHYSA-N 1 2 340.431 1.274 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CC(=O)N2CCCCCC2)C1 ZINC001031987354 702416214 /nfs/dbraw/zinc/41/62/14/702416214.db2.gz JVDJGECBLBBEFZ-SJORKVTESA-N 1 2 349.475 1.028 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@H]2C)nc1 ZINC000944191688 702482761 /nfs/dbraw/zinc/48/27/61/702482761.db2.gz DOBPLJQNHFTYCE-DOMZBBRYSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)o3)C[C@H]2C)nc1 ZINC000944191688 702482765 /nfs/dbraw/zinc/48/27/65/702482765.db2.gz DOBPLJQNHFTYCE-DOMZBBRYSA-N 1 2 339.399 1.395 20 30 EDEDLO Cc1nn[nH]c1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1 ZINC000996117956 702546513 /nfs/dbraw/zinc/54/65/13/702546513.db2.gz HBXGPCUUQHRKFH-OAHLLOKOSA-N 1 2 338.415 1.625 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@H]3COCC[N@H+]3CCCC)C2)C1 ZINC000996331549 702715891 /nfs/dbraw/zinc/71/58/91/702715891.db2.gz NLAAWIDROAPVMW-MRXNPFEDSA-N 1 2 349.475 1.171 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@H]3COCC[N@@H+]3CCCC)C2)C1 ZINC000996331549 702715894 /nfs/dbraw/zinc/71/58/94/702715894.db2.gz NLAAWIDROAPVMW-MRXNPFEDSA-N 1 2 349.475 1.171 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nc(C)no2)CC1 ZINC000996688425 702985450 /nfs/dbraw/zinc/98/54/50/702985450.db2.gz BXMPEUHNQJDZGY-CJNGLKHVSA-N 1 2 345.447 1.117 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](C)C1 ZINC000942496390 702986114 /nfs/dbraw/zinc/98/61/14/702986114.db2.gz KPDFTFIEGKQLOL-ZYHUDNBSSA-N 1 2 339.823 1.576 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](C)C1 ZINC000942496390 702986115 /nfs/dbraw/zinc/98/61/15/702986115.db2.gz KPDFTFIEGKQLOL-ZYHUDNBSSA-N 1 2 339.823 1.576 20 30 EDEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060784866 703293140 /nfs/dbraw/zinc/29/31/40/703293140.db2.gz RBVMOPNBDAXGSA-QAQDUYKDSA-N 1 2 344.459 1.868 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)cc1 ZINC000997336384 703560686 /nfs/dbraw/zinc/56/06/86/703560686.db2.gz CNLJCBVRVABVRU-CYBMUJFWSA-N 1 2 336.395 1.210 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000997336384 703560687 /nfs/dbraw/zinc/56/06/87/703560687.db2.gz CNLJCBVRVABVRU-CYBMUJFWSA-N 1 2 336.395 1.210 20 30 EDEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCCN(C)C1=O ZINC001032446216 703615099 /nfs/dbraw/zinc/61/50/99/703615099.db2.gz LOLFAMFIBIAZPZ-ZOBUZTSGSA-N 1 2 342.443 1.194 20 30 EDEDLO C=CCn1cccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCCN(C)C1=O ZINC001032446216 703615100 /nfs/dbraw/zinc/61/51/00/703615100.db2.gz LOLFAMFIBIAZPZ-ZOBUZTSGSA-N 1 2 342.443 1.194 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1c1ccnn1CC ZINC001032456010 703633627 /nfs/dbraw/zinc/63/36/27/703633627.db2.gz HXZDHSHRZDURSL-LISAXSMJSA-N 1 2 342.443 1.289 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1c1ccnn1CC ZINC001032456010 703633629 /nfs/dbraw/zinc/63/36/29/703633629.db2.gz HXZDHSHRZDURSL-LISAXSMJSA-N 1 2 342.443 1.289 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033089821 704159639 /nfs/dbraw/zinc/15/96/39/704159639.db2.gz DIXKUUAHPOAQJX-ZACQAIPSSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033089821 704159641 /nfs/dbraw/zinc/15/96/41/704159641.db2.gz DIXKUUAHPOAQJX-ZACQAIPSSA-N 1 2 333.432 1.997 20 30 EDEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)c(C)[nH+]1 ZINC000944707909 704552732 /nfs/dbraw/zinc/55/27/32/704552732.db2.gz 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C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000998025337 705210823 /nfs/dbraw/zinc/21/08/23/705210823.db2.gz IUQCHCGXXHVOOY-JKSUJKDBSA-N 1 2 340.489 1.290 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000998025337 705210825 /nfs/dbraw/zinc/21/08/25/705210825.db2.gz IUQCHCGXXHVOOY-JKSUJKDBSA-N 1 2 340.489 1.290 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001038526632 705531266 /nfs/dbraw/zinc/53/12/66/705531266.db2.gz RKRFVZXMDYBUGW-QRVBRYPASA-N 1 2 326.440 1.991 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC001038526632 705531270 /nfs/dbraw/zinc/53/12/70/705531270.db2.gz RKRFVZXMDYBUGW-QRVBRYPASA-N 1 2 326.440 1.991 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]Cc2ccon2)C1 ZINC000998257457 705613730 /nfs/dbraw/zinc/61/37/30/705613730.db2.gz DYHGJRWGZMRBOQ-ZIAGYGMSSA-N 1 2 341.333 1.957 20 30 EDEDLO CC(C)Cc1noc(C[NH2+][C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999129449 706531068 /nfs/dbraw/zinc/53/10/68/706531068.db2.gz QHQWMKDLDZQNFQ-HNNXBMFYSA-N 1 2 330.432 1.762 20 30 EDEDLO C[C@H]([NH2+]Cc1nc(N(C)C)no1)[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC001004855918 707474323 /nfs/dbraw/zinc/47/43/23/707474323.db2.gz SRHLBCGOHJULFQ-ZFWWWQNUSA-N 1 2 345.447 1.408 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001033309375 707476968 /nfs/dbraw/zinc/47/69/68/707476968.db2.gz MISDWRAZYKGNMW-CHWSQXEVSA-N 1 2 338.839 1.812 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001033309375 707476969 /nfs/dbraw/zinc/47/69/69/707476969.db2.gz MISDWRAZYKGNMW-CHWSQXEVSA-N 1 2 338.839 1.812 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](CNc2ccncc2C#N)C1 ZINC001060906645 707748518 /nfs/dbraw/zinc/74/85/18/707748518.db2.gz ZKPHMWPMFIIEOS-CQSZACIVSA-N 1 2 338.415 1.002 20 30 EDEDLO CN(C(=O)c1n[nH]cc1F)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033400103 707806900 /nfs/dbraw/zinc/80/69/00/707806900.db2.gz NFDVIGVYABSFBK-ZDUSSCGKSA-N 1 2 345.353 1.906 20 30 EDEDLO CN(C(=O)c1n[nH]cc1F)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033400103 707806904 /nfs/dbraw/zinc/80/69/04/707806904.db2.gz NFDVIGVYABSFBK-ZDUSSCGKSA-N 1 2 345.353 1.906 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C2)c1 ZINC001033405986 707816995 /nfs/dbraw/zinc/81/69/95/707816995.db2.gz QXLCADWYFKNWHA-IBGZPJMESA-N 1 2 349.438 1.552 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)C2)c1 ZINC001033405986 707816996 /nfs/dbraw/zinc/81/69/96/707816996.db2.gz QXLCADWYFKNWHA-IBGZPJMESA-N 1 2 349.438 1.552 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001033432302 707819292 /nfs/dbraw/zinc/81/92/92/707819292.db2.gz MJBZROHXMDMBGA-XHSDSOJGSA-N 1 2 333.432 1.915 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001033432302 707819295 /nfs/dbraw/zinc/81/92/95/707819295.db2.gz MJBZROHXMDMBGA-XHSDSOJGSA-N 1 2 333.432 1.915 20 30 EDEDLO C#CCCCCC(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001060976533 708073656 /nfs/dbraw/zinc/07/36/56/708073656.db2.gz XHSUSJXHIHZFDE-UHFFFAOYSA-N 1 2 342.443 1.597 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001033543138 708203143 /nfs/dbraw/zinc/20/31/43/708203143.db2.gz IJIZGMSQXVYCHB-TZMCWYRMSA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001033543138 708203146 /nfs/dbraw/zinc/20/31/46/708203146.db2.gz IJIZGMSQXVYCHB-TZMCWYRMSA-N 1 2 331.254 1.854 20 30 EDEDLO C[C@H](c1nncn1C)[NH+]1CCC(N(C)C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001005217915 708241638 /nfs/dbraw/zinc/24/16/38/708241638.db2.gz CTCOOXIRTLHNQM-GFCCVEGCSA-N 1 2 341.419 1.312 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3snnc3C)C2)nc1 ZINC001033597012 708302561 /nfs/dbraw/zinc/30/25/61/708302561.db2.gz QGKNIOXMJGWGFU-CQSZACIVSA-N 1 2 341.440 1.569 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3snnc3C)C2)nc1 ZINC001033597012 708302565 /nfs/dbraw/zinc/30/25/65/708302565.db2.gz QGKNIOXMJGWGFU-CQSZACIVSA-N 1 2 341.440 1.569 20 30 EDEDLO C=C1CCC(C(=O)NCC2CC[NH+](Cc3nncn3C)CC2)CC1 ZINC001001796145 708310949 /nfs/dbraw/zinc/31/09/49/708310949.db2.gz BTUFHTCNIIUJRF-UHFFFAOYSA-N 1 2 331.464 1.890 20 30 EDEDLO N#Cc1ccc(NC[C@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)nn1 ZINC001061025142 708314524 /nfs/dbraw/zinc/31/45/24/708314524.db2.gz LSFUKSZPJIMVJH-GFCCVEGCSA-N 1 2 347.382 1.799 20 30 EDEDLO N#Cc1cnccc1N1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001061679986 708420794 /nfs/dbraw/zinc/42/07/94/708420794.db2.gz FTIOYTJNBQVNGN-AWEZNQCLSA-N 1 2 346.394 1.857 20 30 EDEDLO C=CCOc1ccc(C(=O)N(CC)[C@H]2CC[N@H+](CC(N)=O)C2)cc1 ZINC001033879958 708976213 /nfs/dbraw/zinc/97/62/13/708976213.db2.gz IIZGNEDVVRRNSS-HNNXBMFYSA-N 1 2 331.416 1.273 20 30 EDEDLO C=CCOc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](CC(N)=O)C2)cc1 ZINC001033879958 708976214 /nfs/dbraw/zinc/97/62/14/708976214.db2.gz IIZGNEDVVRRNSS-HNNXBMFYSA-N 1 2 331.416 1.273 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H](Nc2ccc(C#N)nc2)C1 ZINC001061096558 709041043 /nfs/dbraw/zinc/04/10/43/709041043.db2.gz UXMVUULFHJFXQT-KGLIPLIRSA-N 1 2 338.415 1.769 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H](Nc2nccnc2C#N)C1 ZINC001061098626 709057662 /nfs/dbraw/zinc/05/76/62/709057662.db2.gz OYDMLNHTIVSVRE-STQMWFEESA-N 1 2 339.403 1.462 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001061107062 709131421 /nfs/dbraw/zinc/13/14/21/709131421.db2.gz GQCJYKWCCBTYGS-VXGBXAGGSA-N 1 2 325.376 1.153 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)C2CCN(C(N)=O)CC2)C1 ZINC001034035083 709265457 /nfs/dbraw/zinc/26/54/57/709265457.db2.gz QWVUGCXZTCVSIH-AWEZNQCLSA-N 1 2 342.871 1.452 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CCN(C(N)=O)CC2)C1 ZINC001034035083 709265460 /nfs/dbraw/zinc/26/54/60/709265460.db2.gz QWVUGCXZTCVSIH-AWEZNQCLSA-N 1 2 342.871 1.452 20 30 EDEDLO CCn1ccnc1C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034166037 709439556 /nfs/dbraw/zinc/43/95/56/709439556.db2.gz ZKZJIMDEKHBIST-OAHLLOKOSA-N 1 2 340.431 1.887 20 30 EDEDLO CCn1ccnc1C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001034166037 709439557 /nfs/dbraw/zinc/43/95/57/709439557.db2.gz ZKZJIMDEKHBIST-OAHLLOKOSA-N 1 2 340.431 1.887 20 30 EDEDLO Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1C ZINC001034170726 709483126 /nfs/dbraw/zinc/48/31/26/709483126.db2.gz ANXIDBQDIAEQQO-HNNXBMFYSA-N 1 2 340.431 1.713 20 30 EDEDLO Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)nn1C ZINC001034170726 709483129 /nfs/dbraw/zinc/48/31/29/709483129.db2.gz ANXIDBQDIAEQQO-HNNXBMFYSA-N 1 2 340.431 1.713 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001061735562 709579510 /nfs/dbraw/zinc/57/95/10/709579510.db2.gz SRGQEPBSTXQYKH-JKSUJKDBSA-N 1 2 348.447 1.219 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CC[NH+](Cc3nccs3)CC2)c1 ZINC001003594964 710432303 /nfs/dbraw/zinc/43/23/03/710432303.db2.gz WYHHYBKWBCGUBE-UHFFFAOYSA-N 1 2 326.425 1.914 20 30 EDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000922241002 710499093 /nfs/dbraw/zinc/49/90/93/710499093.db2.gz GSOMXPCRTGXGJH-FUHWJXTLSA-N 1 2 342.443 1.956 20 30 EDEDLO CN(C(=O)[C@@H]1CCOC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032944397 710920142 /nfs/dbraw/zinc/92/01/42/710920142.db2.gz XLLSCAOTQNEVDZ-RHSMWYFYSA-N 1 2 331.391 1.767 20 30 EDEDLO CN(C(=O)[C@@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032944397 710920148 /nfs/dbraw/zinc/92/01/48/710920148.db2.gz XLLSCAOTQNEVDZ-RHSMWYFYSA-N 1 2 331.391 1.767 20 30 EDEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001003999384 711217528 /nfs/dbraw/zinc/21/75/28/711217528.db2.gz LGEWFLQSROTMMR-INIZCTEOSA-N 1 2 344.390 1.057 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC001004474731 711850662 /nfs/dbraw/zinc/85/06/62/711850662.db2.gz DGRZSLKEQVTGFW-CVEARBPZSA-N 1 2 347.463 1.004 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1 ZINC001004474731 711850663 /nfs/dbraw/zinc/85/06/63/711850663.db2.gz DGRZSLKEQVTGFW-CVEARBPZSA-N 1 2 347.463 1.004 20 30 EDEDLO Cc1cc(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n(C)n1 ZINC001004482103 711852839 /nfs/dbraw/zinc/85/28/39/711852839.db2.gz BELRTMTYZJAYDK-KRWDZBQOSA-N 1 2 329.448 1.498 20 30 EDEDLO Cc1cc(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n(C)n1 ZINC001004482103 711852840 /nfs/dbraw/zinc/85/28/40/711852840.db2.gz BELRTMTYZJAYDK-KRWDZBQOSA-N 1 2 329.448 1.498 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001033130263 711882021 /nfs/dbraw/zinc/88/20/21/711882021.db2.gz UWVYNGZNJFBEHC-LSDHHAIUSA-N 1 2 341.883 1.776 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CC(C)C)C2)C1 ZINC001033130263 711882024 /nfs/dbraw/zinc/88/20/24/711882024.db2.gz UWVYNGZNJFBEHC-LSDHHAIUSA-N 1 2 341.883 1.776 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001004520839 711919889 /nfs/dbraw/zinc/91/98/89/711919889.db2.gz PUPBBPKWYOVJFH-CLCXKQKWSA-N 1 2 344.459 1.701 20 30 EDEDLO C[C@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004571910 711996152 /nfs/dbraw/zinc/99/61/52/711996152.db2.gz XGJBWWHNSACKMI-RDJZCZTQSA-N 1 2 346.475 1.471 20 30 EDEDLO C[C@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004571910 711996155 /nfs/dbraw/zinc/99/61/55/711996155.db2.gz XGJBWWHNSACKMI-RDJZCZTQSA-N 1 2 346.475 1.471 20 30 EDEDLO CC(C)c1nnnn1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004582826 712015220 /nfs/dbraw/zinc/01/52/20/712015220.db2.gz YXEHXTZOIYOZNM-HNNXBMFYSA-N 1 2 345.451 1.023 20 30 EDEDLO CC(C)c1nnnn1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004582826 712015221 /nfs/dbraw/zinc/01/52/21/712015221.db2.gz YXEHXTZOIYOZNM-HNNXBMFYSA-N 1 2 345.451 1.023 20 30 EDEDLO COc1c(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)cnn1C ZINC001004598694 712042779 /nfs/dbraw/zinc/04/27/79/712042779.db2.gz DVWMGHQQFFRQIL-HNNXBMFYSA-N 1 2 331.420 1.269 20 30 EDEDLO COc1c(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)cnn1C ZINC001004598694 712042780 /nfs/dbraw/zinc/04/27/80/712042780.db2.gz DVWMGHQQFFRQIL-HNNXBMFYSA-N 1 2 331.420 1.269 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001004620914 712082788 /nfs/dbraw/zinc/08/27/88/712082788.db2.gz SPXZXOSCVCQMCQ-CVEARBPZSA-N 1 2 342.447 1.067 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001004620914 712082791 /nfs/dbraw/zinc/08/27/91/712082791.db2.gz SPXZXOSCVCQMCQ-CVEARBPZSA-N 1 2 342.447 1.067 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001033173826 712337786 /nfs/dbraw/zinc/33/77/86/712337786.db2.gz FJLDGDFCBIGPNN-JTQLQIEISA-N 1 2 341.209 1.237 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001033173826 712337787 /nfs/dbraw/zinc/33/77/87/712337787.db2.gz FJLDGDFCBIGPNN-JTQLQIEISA-N 1 2 341.209 1.237 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3C(=O)NC3CC3)o2)cc1 ZINC000173740665 231020481 /nfs/dbraw/zinc/02/04/81/231020481.db2.gz XXIOUKSIJQFXKT-OAHLLOKOSA-N 1 2 337.383 1.851 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3C(=O)NC3CC3)o2)cc1 ZINC000173740665 231020483 /nfs/dbraw/zinc/02/04/83/231020483.db2.gz XXIOUKSIJQFXKT-OAHLLOKOSA-N 1 2 337.383 1.851 20 30 EDEDLO CC[C@@]1(CO)CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000187534535 529551512 /nfs/dbraw/zinc/55/15/12/529551512.db2.gz RPIFFLLDLUENRY-QGZVFWFLSA-N 1 2 336.457 1.816 20 30 EDEDLO CC[C@@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000187534535 529551514 /nfs/dbraw/zinc/55/15/14/529551514.db2.gz RPIFFLLDLUENRY-QGZVFWFLSA-N 1 2 336.457 1.816 20 30 EDEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N[C@H]1CCCNC1=O ZINC000328676909 539350523 /nfs/dbraw/zinc/35/05/23/539350523.db2.gz LTJJWRGMNDRSHN-ZDUSSCGKSA-N 1 2 333.392 1.041 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C2(C#N)CCOCC2)C1 ZINC000275788115 282327726 /nfs/dbraw/zinc/32/77/26/282327726.db2.gz ZDARARQBIFWJDJ-CQSZACIVSA-N 1 2 344.415 1.448 20 30 EDEDLO Cc1noc([C@@H]2CCCCN2C(=O)NC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000329227885 539421367 /nfs/dbraw/zinc/42/13/67/539421367.db2.gz BJIYRLTVFIPXOK-OCCSQVGLSA-N 1 2 337.424 1.540 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC[C@@]2(C)CCOC2)CC1 ZINC000329326625 539429012 /nfs/dbraw/zinc/42/90/12/539429012.db2.gz JLSRADDIPWTLOA-GOSISDBHSA-N 1 2 349.479 1.495 20 30 EDEDLO CC(C)N1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000329322479 539429081 /nfs/dbraw/zinc/42/90/81/539429081.db2.gz UTNUEZDMTZDZTI-QGZVFWFLSA-N 1 2 345.443 1.833 20 30 EDEDLO CC(C)CC(=O)N1CCC(NC([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329607496 539449036 /nfs/dbraw/zinc/44/90/36/539449036.db2.gz MUGGUQKTRCHSCT-CQSZACIVSA-N 1 2 347.463 1.808 20 30 EDEDLO CC(C)CC(=O)N1CCC(NC([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329607496 539449039 /nfs/dbraw/zinc/44/90/39/539449039.db2.gz MUGGUQKTRCHSCT-CQSZACIVSA-N 1 2 347.463 1.808 20 30 EDEDLO C[C@@H](CC#N)[N@H+](C)CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000129615498 237204887 /nfs/dbraw/zinc/20/48/87/237204887.db2.gz NKEHAEJNWZWISW-ZDUSSCGKSA-N 1 2 325.434 1.550 20 30 EDEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000129615498 237204894 /nfs/dbraw/zinc/20/48/94/237204894.db2.gz NKEHAEJNWZWISW-ZDUSSCGKSA-N 1 2 325.434 1.550 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCc1cccnc1-n1cc[nH+]c1 ZINC000129726640 237206650 /nfs/dbraw/zinc/20/66/50/237206650.db2.gz CFFFYGDEGMVCCQ-UHFFFAOYSA-N 1 2 346.346 1.664 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)c(Cl)c1 ZINC000227301539 139022360 /nfs/dbraw/zinc/02/23/60/139022360.db2.gz YAXWDVJDTLTXSG-UHFFFAOYSA-N 1 2 345.877 1.539 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C(C)(C)c1cc(C(=O)OC)on1 ZINC000352035982 250068604 /nfs/dbraw/zinc/06/86/04/250068604.db2.gz CSCGGSWWCPTYIZ-LLVKDONJSA-N 1 2 336.392 1.294 20 30 EDEDLO CC[N@@H+](Cc1cc(OC)c(OCC(N)=O)c(OC)c1)C[C@@H](C)C#N ZINC000352091593 250072274 /nfs/dbraw/zinc/07/22/74/250072274.db2.gz LDEXSUYRKHABEG-LBPRGKRZSA-N 1 2 335.404 1.549 20 30 EDEDLO CC[N@H+](Cc1cc(OC)c(OCC(N)=O)c(OC)c1)C[C@@H](C)C#N ZINC000352091593 250072279 /nfs/dbraw/zinc/07/22/79/250072279.db2.gz LDEXSUYRKHABEG-LBPRGKRZSA-N 1 2 335.404 1.549 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(N(CC)CCOC)n2)C1=O ZINC000352103634 250072529 /nfs/dbraw/zinc/07/25/29/250072529.db2.gz QBWOIGFFTSKPLE-QGZVFWFLSA-N 1 2 346.475 1.773 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(N(CC)CCOC)n2)C1=O ZINC000352103634 250072533 /nfs/dbraw/zinc/07/25/33/250072533.db2.gz QBWOIGFFTSKPLE-QGZVFWFLSA-N 1 2 346.475 1.773 20 30 EDEDLO CS(=O)(=O)NCC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000352241415 250076125 /nfs/dbraw/zinc/07/61/25/250076125.db2.gz LZKIFSGUOLKODH-UHFFFAOYSA-N 1 2 340.876 1.953 20 30 EDEDLO N#CC1CC[NH+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000352272908 250078372 /nfs/dbraw/zinc/07/83/72/250078372.db2.gz XOYLECLOMODRQS-CQSZACIVSA-N 1 2 328.328 1.462 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)NCc2[nH]c[nH+]c2C)cc1 ZINC000353108259 250080976 /nfs/dbraw/zinc/08/09/76/250080976.db2.gz QBVULWFHMDTAMV-UHFFFAOYSA-N 1 2 334.401 1.112 20 30 EDEDLO C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000354685431 250097422 /nfs/dbraw/zinc/09/74/22/250097422.db2.gz FVEOPUZVJJNJJX-LBPRGKRZSA-N 1 2 327.340 1.476 20 30 EDEDLO C=C[C@@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000358467001 250135929 /nfs/dbraw/zinc/13/59/29/250135929.db2.gz ODLONAAJYLIGSD-ZFWWWQNUSA-N 1 2 330.388 1.364 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000361479551 250174415 /nfs/dbraw/zinc/17/44/15/250174415.db2.gz SJWIBDKAFHAKML-MRXNPFEDSA-N 1 2 339.480 1.370 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000361479551 250174419 /nfs/dbraw/zinc/17/44/19/250174419.db2.gz SJWIBDKAFHAKML-MRXNPFEDSA-N 1 2 339.480 1.370 20 30 EDEDLO C=CCN(CCC#N)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000359435833 250156135 /nfs/dbraw/zinc/15/61/35/250156135.db2.gz FZTLBADFRMVYJO-UHFFFAOYSA-N 1 2 343.427 1.990 20 30 EDEDLO C=CCN(CCC#N)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000359435833 250156143 /nfs/dbraw/zinc/15/61/43/250156143.db2.gz FZTLBADFRMVYJO-UHFFFAOYSA-N 1 2 343.427 1.990 20 30 EDEDLO C=CCOC[C@H](NC(=O)Cn1c(CC)[nH+]c2ccccc21)C(=O)OC ZINC000360749679 250164960 /nfs/dbraw/zinc/16/49/60/250164960.db2.gz ZXDGENFQMPNCRQ-AWEZNQCLSA-N 1 2 345.399 1.459 20 30 EDEDLO CN(CCC#N)S(=O)(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000360782015 250165504 /nfs/dbraw/zinc/16/55/04/250165504.db2.gz BMSGBBZSYOWHEJ-UHFFFAOYSA-N 1 2 347.444 1.453 20 30 EDEDLO C=CC[N@H+](CC(=O)Nc1nc(C2CC2)no1)Cc1cccc(C#N)c1 ZINC000362219071 250180233 /nfs/dbraw/zinc/18/02/33/250180233.db2.gz OWNJISGHOVZQOS-UHFFFAOYSA-N 1 2 337.383 1.867 20 30 EDEDLO C=CC[N@@H+](CC(=O)Nc1nc(C2CC2)no1)Cc1cccc(C#N)c1 ZINC000362219071 250180237 /nfs/dbraw/zinc/18/02/37/250180237.db2.gz OWNJISGHOVZQOS-UHFFFAOYSA-N 1 2 337.383 1.867 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000373182598 250233312 /nfs/dbraw/zinc/23/33/12/250233312.db2.gz KBLTZWDDIRENCD-UHFFFAOYSA-N 1 2 336.367 1.076 20 30 EDEDLO Cc1ncccc1O[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000375967241 250283022 /nfs/dbraw/zinc/28/30/22/250283022.db2.gz HGGCRRZROPWOLW-QAPCUYQASA-N 1 2 330.432 1.898 20 30 EDEDLO Cc1ncccc1O[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000375967241 250283023 /nfs/dbraw/zinc/28/30/23/250283023.db2.gz HGGCRRZROPWOLW-QAPCUYQASA-N 1 2 330.432 1.898 20 30 EDEDLO C=C(Br)C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000374336377 250260996 /nfs/dbraw/zinc/26/09/96/250260996.db2.gz FGZMXLHAEWCHHL-UHFFFAOYSA-N 1 2 337.283 1.785 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378099618 250296646 /nfs/dbraw/zinc/29/66/46/250296646.db2.gz RXUSGQAKVIDCGQ-AWEZNQCLSA-N 1 2 337.383 1.186 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378099618 250296651 /nfs/dbraw/zinc/29/66/51/250296651.db2.gz RXUSGQAKVIDCGQ-AWEZNQCLSA-N 1 2 337.383 1.186 20 30 EDEDLO COCC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000263670640 139351522 /nfs/dbraw/zinc/35/15/22/139351522.db2.gz IDULRVMXXNKFLS-OAHLLOKOSA-N 1 2 330.432 1.810 20 30 EDEDLO CO[C@@H](C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000263736883 139356705 /nfs/dbraw/zinc/35/67/05/139356705.db2.gz IUYMVKLEUTWMDU-HNNXBMFYSA-N 1 2 330.432 1.810 20 30 EDEDLO COc1ccccc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000471821061 255015995 /nfs/dbraw/zinc/01/59/95/255015995.db2.gz JQHJCRYEDKDCOV-UHFFFAOYSA-N 1 2 325.416 1.931 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000489023545 255062345 /nfs/dbraw/zinc/06/23/45/255062345.db2.gz ZUUHIYFLOYFICN-INIZCTEOSA-N 1 2 344.459 1.443 20 30 EDEDLO C#CCn1ccc(CN(CCOC)c2cc(NC3CC3)[nH+]cn2)n1 ZINC000491382675 255124378 /nfs/dbraw/zinc/12/43/78/255124378.db2.gz JJBMJJANBXJYGL-UHFFFAOYSA-N 1 2 326.404 1.534 20 30 EDEDLO C#CCn1ccc(CN(CCOC)c2cc(NC3CC3)nc[nH+]2)n1 ZINC000491382675 255124379 /nfs/dbraw/zinc/12/43/79/255124379.db2.gz JJBMJJANBXJYGL-UHFFFAOYSA-N 1 2 326.404 1.534 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2N2CCCCC2)CC1 ZINC000490778853 255107027 /nfs/dbraw/zinc/10/70/27/255107027.db2.gz MUCDGAZCZCBMCN-UHFFFAOYSA-N 1 2 340.471 1.866 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(CC(C)C)c[nH]2)CC1 ZINC000491728582 255145904 /nfs/dbraw/zinc/14/59/04/255145904.db2.gz HLYRZDVHQWCNPF-UHFFFAOYSA-N 1 2 344.459 1.111 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(CC(C)C)c[nH]2)CC1 ZINC000491728582 255145905 /nfs/dbraw/zinc/14/59/05/255145905.db2.gz HLYRZDVHQWCNPF-UHFFFAOYSA-N 1 2 344.459 1.111 20 30 EDEDLO COc1cc(/C=C/C(=O)N2CC(n3cc[nH+]c3)C2)ccc1OCC#N ZINC000491838526 255151381 /nfs/dbraw/zinc/15/13/81/255151381.db2.gz NGVHIGMLTFLJMQ-HWKANZROSA-N 1 2 338.367 1.891 20 30 EDEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000495306287 255279974 /nfs/dbraw/zinc/27/99/74/255279974.db2.gz CTXLRRPYZIQCFS-AWEZNQCLSA-N 1 2 346.431 1.914 20 30 EDEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000495306287 255279975 /nfs/dbraw/zinc/27/99/75/255279975.db2.gz CTXLRRPYZIQCFS-AWEZNQCLSA-N 1 2 346.431 1.914 20 30 EDEDLO C[N@@H+]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000494743093 255260322 /nfs/dbraw/zinc/26/03/22/255260322.db2.gz VQXUSVAUTJUWEG-AWEZNQCLSA-N 1 2 347.419 1.167 20 30 EDEDLO C[N@H+]1CCN(C(=O)c2c[nH]c(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000494743093 255260323 /nfs/dbraw/zinc/26/03/23/255260323.db2.gz VQXUSVAUTJUWEG-AWEZNQCLSA-N 1 2 347.419 1.167 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000117370074 221058375 /nfs/dbraw/zinc/05/83/75/221058375.db2.gz ZPAOOGFRLSHLCJ-LBPRGKRZSA-N 1 2 341.408 1.039 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000117370074 221058378 /nfs/dbraw/zinc/05/83/78/221058378.db2.gz ZPAOOGFRLSHLCJ-LBPRGKRZSA-N 1 2 341.408 1.039 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173755161 292045768 /nfs/dbraw/zinc/04/57/68/292045768.db2.gz HDJISQAOZMWSCX-INIZCTEOSA-N 1 2 349.456 1.352 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c(O)c2)CCO1 ZINC000332390064 141173614 /nfs/dbraw/zinc/17/36/14/141173614.db2.gz JPTHJDADERYKOU-BBRMVZONSA-N 1 2 326.356 1.647 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2ccc(C#N)c(O)c2)CCO1 ZINC000332390066 141173705 /nfs/dbraw/zinc/17/37/05/141173705.db2.gz JPTHJDADERYKOU-CZUORRHYSA-N 1 2 326.356 1.647 20 30 EDEDLO Cc1nc(N2CCN(C(=O)c3ncc(C#N)cc3Cl)CC2)cc[nH+]1 ZINC000332402840 141175909 /nfs/dbraw/zinc/17/59/09/141175909.db2.gz VBDIQZZKSGXBNV-UHFFFAOYSA-N 1 2 342.790 1.668 20 30 EDEDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc(C#N)o1 ZINC000340483172 142407572 /nfs/dbraw/zinc/40/75/72/142407572.db2.gz ICYRXVLCQXVDOL-AWEZNQCLSA-N 1 2 339.399 1.487 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cn1C ZINC000347683298 143349204 /nfs/dbraw/zinc/34/92/04/143349204.db2.gz ZARBGTJNVGTVTG-UHFFFAOYSA-N 1 2 339.399 1.401 20 30 EDEDLO N#Cc1cnn2cc(C[NH+]3CCN(Cc4cscn4)CC3)cnc12 ZINC000573001958 306607834 /nfs/dbraw/zinc/60/78/34/306607834.db2.gz RWRAGFVAIAUKOR-UHFFFAOYSA-N 1 2 339.428 1.375 20 30 EDEDLO N#Cc1csc(C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000352836651 149185694 /nfs/dbraw/zinc/18/56/94/149185694.db2.gz VYYXSTVYXKHZAJ-UHFFFAOYSA-N 1 2 341.440 1.453 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000352903521 149210828 /nfs/dbraw/zinc/21/08/28/149210828.db2.gz VOBDAAUDASZYGU-AWEZNQCLSA-N 1 2 328.416 1.567 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000352903521 149210830 /nfs/dbraw/zinc/21/08/30/149210830.db2.gz VOBDAAUDASZYGU-AWEZNQCLSA-N 1 2 328.416 1.567 20 30 EDEDLO Cn1nccc1CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000355357010 150231584 /nfs/dbraw/zinc/23/15/84/150231584.db2.gz UCIKFKBUXZPAAD-UHFFFAOYSA-N 1 2 337.427 1.569 20 30 EDEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1cccc(C#N)c1F ZINC000358031769 151240801 /nfs/dbraw/zinc/24/08/01/151240801.db2.gz BKOXEHFPWBUUGY-HNNXBMFYSA-N 1 2 348.422 1.680 20 30 EDEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1cccc(C#N)c1F ZINC000358031769 151240803 /nfs/dbraw/zinc/24/08/03/151240803.db2.gz BKOXEHFPWBUUGY-HNNXBMFYSA-N 1 2 348.422 1.680 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000364740820 153320027 /nfs/dbraw/zinc/32/00/27/153320027.db2.gz SHSAZDBJMSEDBT-SJLPKXTDSA-N 1 2 349.394 1.795 20 30 EDEDLO Cc1cccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1C#N ZINC000367089798 154005869 /nfs/dbraw/zinc/00/58/69/154005869.db2.gz PLZSYHSMVQGGRY-GJZGRUSLSA-N 1 2 349.456 1.398 20 30 EDEDLO Cc1cccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1C#N ZINC000367089798 154005873 /nfs/dbraw/zinc/00/58/73/154005873.db2.gz PLZSYHSMVQGGRY-GJZGRUSLSA-N 1 2 349.456 1.398 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159372561 225204901 /nfs/dbraw/zinc/20/49/01/225204901.db2.gz YYFICERVOSIXFV-HNNXBMFYSA-N 1 2 342.424 1.819 20 30 EDEDLO Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)[nH]2)[NH+]2CCOCC2)cc1 ZINC000159758814 225272636 /nfs/dbraw/zinc/27/26/36/225272636.db2.gz HIOUHOVIVVEAEO-GOSISDBHSA-N 1 2 338.411 1.998 20 30 EDEDLO N#Cc1cncc(N2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)n1 ZINC000420583123 270012252 /nfs/dbraw/zinc/01/22/52/270012252.db2.gz IPLXMEVASKSMLX-UHFFFAOYSA-N 1 2 348.410 1.060 20 30 EDEDLO CCCNC(=O)C[N@H+](CCC)CC(=O)NCc1ccc(C#N)cc1 ZINC000298783136 266056403 /nfs/dbraw/zinc/05/64/03/266056403.db2.gz GWNHQXGZAKWQOL-UHFFFAOYSA-N 1 2 330.432 1.413 20 30 EDEDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)NCc1ccc(C#N)cc1 ZINC000298783136 266056404 /nfs/dbraw/zinc/05/64/04/266056404.db2.gz GWNHQXGZAKWQOL-UHFFFAOYSA-N 1 2 330.432 1.413 20 30 EDEDLO CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428784795 267008932 /nfs/dbraw/zinc/00/89/32/267008932.db2.gz KTDUCMXBSOZWES-AWEZNQCLSA-N 1 2 345.403 1.032 20 30 EDEDLO CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428784795 267008937 /nfs/dbraw/zinc/00/89/37/267008937.db2.gz KTDUCMXBSOZWES-AWEZNQCLSA-N 1 2 345.403 1.032 20 30 EDEDLO CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)Cc1cccc(F)c1C#N ZINC000428353712 267023746 /nfs/dbraw/zinc/02/37/46/267023746.db2.gz WIKCEOWXQAFVJL-MRXNPFEDSA-N 1 2 348.422 1.680 20 30 EDEDLO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1cccc(F)c1C#N ZINC000428353712 267023751 /nfs/dbraw/zinc/02/37/51/267023751.db2.gz WIKCEOWXQAFVJL-MRXNPFEDSA-N 1 2 348.422 1.680 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cn(C)nc1C(F)F ZINC000274450042 267065472 /nfs/dbraw/zinc/06/54/72/267065472.db2.gz DYIVMVFNTSMEPU-LLVKDONJSA-N 1 2 347.373 1.730 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cn(C)nc1C(F)F ZINC000274450042 267065476 /nfs/dbraw/zinc/06/54/76/267065476.db2.gz DYIVMVFNTSMEPU-LLVKDONJSA-N 1 2 347.373 1.730 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000427795321 267233395 /nfs/dbraw/zinc/23/33/95/267233395.db2.gz YWSGPSTXERSXEO-RDJZCZTQSA-N 1 2 349.456 1.290 20 30 EDEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000492448415 267256449 /nfs/dbraw/zinc/25/64/49/267256449.db2.gz MMPARMWPRFOPTG-WAYWQWQTSA-N 1 2 336.399 1.532 20 30 EDEDLO Cc1cc(NCC2(CS(C)(=O)=O)CCOCC2)c(C#N)c(C)[nH+]1 ZINC000301826139 267347449 /nfs/dbraw/zinc/34/74/49/267347449.db2.gz DZKKZFXVPFCNCW-UHFFFAOYSA-N 1 2 337.445 1.823 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)NCc2cn3c([nH+]2)CCCC3)cc1 ZINC000288273215 268080897 /nfs/dbraw/zinc/08/08/97/268080897.db2.gz IEBKGQIWIHKPQL-UHFFFAOYSA-N 1 2 330.413 1.711 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1O ZINC000525951376 268203328 /nfs/dbraw/zinc/20/33/28/268203328.db2.gz RQUKBCACRDOOFI-HOTGVXAUSA-N 1 2 329.400 1.637 20 30 EDEDLO N#Cc1cccc(C2([NH2+]Cc3nnnn3CC3CCOCC3)CC2)c1 ZINC000278939109 268241384 /nfs/dbraw/zinc/24/13/84/268241384.db2.gz XXPONMPMENQUJO-UHFFFAOYSA-N 1 2 338.415 1.750 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)o2)c1 ZINC000527056488 268264448 /nfs/dbraw/zinc/26/44/48/268264448.db2.gz LCGQCROGRVEDIM-LZWOXQAQSA-N 1 2 337.383 1.694 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)o2)c1 ZINC000527056488 268264450 /nfs/dbraw/zinc/26/44/50/268264450.db2.gz LCGQCROGRVEDIM-LZWOXQAQSA-N 1 2 337.383 1.694 20 30 EDEDLO N#Cc1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)cc1Cl ZINC000275926074 273135678 /nfs/dbraw/zinc/13/56/78/273135678.db2.gz QNSNIUCXGVGSTB-UHFFFAOYSA-N 1 2 344.820 1.643 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)NCC[N@H+]2CC=CCC2)c(F)c1 ZINC000280199328 273351083 /nfs/dbraw/zinc/35/10/83/273351083.db2.gz JGSCGIIQXKKHFJ-UHFFFAOYSA-N 1 2 327.356 1.377 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c(F)c1 ZINC000280199328 273351084 /nfs/dbraw/zinc/35/10/84/273351084.db2.gz JGSCGIIQXKKHFJ-UHFFFAOYSA-N 1 2 327.356 1.377 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000332817486 277795979 /nfs/dbraw/zinc/79/59/79/277795979.db2.gz NPFAUWCWYZTXOF-YVSFHVDLSA-N 1 2 337.464 1.472 20 30 EDEDLO C=CCCN(C)C(=O)N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000346844622 277831190 /nfs/dbraw/zinc/83/11/90/277831190.db2.gz CRSSQAPXNQNUPF-WMLDXEAASA-N 1 2 345.447 1.832 20 30 EDEDLO C=CCCCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343247 453107173 /nfs/dbraw/zinc/10/71/73/453107173.db2.gz MBVICCNFYPYFSL-KFWWJZLASA-N 1 2 325.453 1.073 20 30 EDEDLO C=CCCCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343247 453107185 /nfs/dbraw/zinc/10/71/85/453107185.db2.gz MBVICCNFYPYFSL-KFWWJZLASA-N 1 2 325.453 1.073 20 30 EDEDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000377756862 447338599 /nfs/dbraw/zinc/33/85/99/447338599.db2.gz APCZKAHQISZOOT-UHFFFAOYSA-N 1 2 340.424 1.011 20 30 EDEDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000377756862 447338602 /nfs/dbraw/zinc/33/86/02/447338602.db2.gz APCZKAHQISZOOT-UHFFFAOYSA-N 1 2 340.424 1.011 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000425873894 447343308 /nfs/dbraw/zinc/34/33/08/447343308.db2.gz QTMQIRKQRUPAQY-UONOGXRCSA-N 1 2 339.399 1.479 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2F)C[C@@H]1C ZINC000536554755 306022341 /nfs/dbraw/zinc/02/23/41/306022341.db2.gz BZNBVDUCLGPKAN-RYUDHWBXSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2F)C[C@@H]1C ZINC000536554755 306022342 /nfs/dbraw/zinc/02/23/42/306022342.db2.gz BZNBVDUCLGPKAN-RYUDHWBXSA-N 1 2 325.409 1.801 20 30 EDEDLO N#Cc1ccc2ncc(C[NH2+]Cc3n[nH]cc3Br)n2c1 ZINC000537310807 306026676 /nfs/dbraw/zinc/02/66/76/306026676.db2.gz KYWQPSLSRGFZAJ-UHFFFAOYSA-N 1 2 331.177 1.981 20 30 EDEDLO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000378293858 447414410 /nfs/dbraw/zinc/41/44/10/447414410.db2.gz UUNFTPZCJAURSY-NJSLBKSFSA-N 1 2 340.427 1.589 20 30 EDEDLO CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000378293858 447414418 /nfs/dbraw/zinc/41/44/18/447414418.db2.gz UUNFTPZCJAURSY-NJSLBKSFSA-N 1 2 340.427 1.589 20 30 EDEDLO C#CC[NH+]1CCN(Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)CC1 ZINC000045911575 441059369 /nfs/dbraw/zinc/05/93/69/441059369.db2.gz FMQGRKYENZJMSD-UHFFFAOYSA-N 1 2 342.468 1.614 20 30 EDEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCn1cc[nH+]c1 ZINC000046432120 441107534 /nfs/dbraw/zinc/10/75/34/441107534.db2.gz BPPHEHQUWZMJTR-UHFFFAOYSA-N 1 2 337.387 1.163 20 30 EDEDLO C#CC[N@@H+](CCC(=O)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000104092853 441189541 /nfs/dbraw/zinc/18/95/41/441189541.db2.gz IAAQWQXXEFPTQB-MRXNPFEDSA-N 1 2 346.452 1.088 20 30 EDEDLO C#CC[N@H+](CCC(=O)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000104092853 441189546 /nfs/dbraw/zinc/18/95/46/441189546.db2.gz IAAQWQXXEFPTQB-MRXNPFEDSA-N 1 2 346.452 1.088 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000083536973 441362696 /nfs/dbraw/zinc/36/26/96/441362696.db2.gz GGFYWYGXEVZDMK-UHFFFAOYSA-N 1 2 333.335 1.513 20 30 EDEDLO CC[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)C[C@H](C)C#N ZINC000049982238 441368653 /nfs/dbraw/zinc/36/86/53/441368653.db2.gz FHXXXYGESSBKLZ-GFCCVEGCSA-N 1 2 346.387 1.587 20 30 EDEDLO CC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)C[C@H](C)C#N ZINC000049982238 441368656 /nfs/dbraw/zinc/36/86/56/441368656.db2.gz FHXXXYGESSBKLZ-GFCCVEGCSA-N 1 2 346.387 1.587 20 30 EDEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000026209454 441371531 /nfs/dbraw/zinc/37/15/31/441371531.db2.gz SUXCDYWXLCGVLW-GOSISDBHSA-N 1 2 329.400 1.713 20 30 EDEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)cc1 ZINC000026209454 441371532 /nfs/dbraw/zinc/37/15/32/441371532.db2.gz SUXCDYWXLCGVLW-GOSISDBHSA-N 1 2 329.400 1.713 20 30 EDEDLO CCN(CC)C(=O)CN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000051502105 441412773 /nfs/dbraw/zinc/41/27/73/441412773.db2.gz HQPARWODXVSDJC-UHFFFAOYSA-N 1 2 344.459 1.423 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000051502105 441412777 /nfs/dbraw/zinc/41/27/77/441412777.db2.gz HQPARWODXVSDJC-UHFFFAOYSA-N 1 2 344.459 1.423 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc1 ZINC000051868754 441427037 /nfs/dbraw/zinc/42/70/37/441427037.db2.gz CWFYEOAOEVUMFK-UHFFFAOYSA-N 1 2 339.355 1.753 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2OCC2CC2)CC1 ZINC000085278445 441431616 /nfs/dbraw/zinc/43/16/16/441431616.db2.gz LMPISOYPWOVLMZ-UHFFFAOYSA-N 1 2 327.428 1.665 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000051154260 441401070 /nfs/dbraw/zinc/40/10/70/441401070.db2.gz DTUJLBLTEZASAQ-HNNXBMFYSA-N 1 2 330.432 1.522 20 30 EDEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029859734 441475927 /nfs/dbraw/zinc/47/59/27/441475927.db2.gz CAZMAFMVWIHPQG-AWEZNQCLSA-N 1 2 348.422 1.361 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(F)c(F)c1 ZINC000087225001 441484089 /nfs/dbraw/zinc/48/40/89/441484089.db2.gz ZSJDVWDUABOKML-UHFFFAOYSA-N 1 2 337.370 1.582 20 30 EDEDLO N#CC1(NC(=O)C[NH+]2CCC(O)(C(F)(F)F)CC2)CCCCC1 ZINC000089970138 441607288 /nfs/dbraw/zinc/60/72/88/441607288.db2.gz DPAXWHZRMZKFKD-UHFFFAOYSA-N 1 2 333.354 1.718 20 30 EDEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000113943809 441628870 /nfs/dbraw/zinc/62/88/70/441628870.db2.gz DUCTXCKZXONIIG-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO C#CCSCCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000121455090 441708852 /nfs/dbraw/zinc/70/88/52/441708852.db2.gz ANVUWYCLVGZDLB-UHFFFAOYSA-N 1 2 347.484 1.889 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000115533179 441752430 /nfs/dbraw/zinc/75/24/30/441752430.db2.gz BDGHGTSCMFZFQX-GOSISDBHSA-N 1 2 335.411 1.297 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000115604648 441765937 /nfs/dbraw/zinc/76/59/37/441765937.db2.gz MJAIDLPISIKWLE-CABCVRRESA-N 1 2 340.431 1.902 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCOC3(CCCC3)C2)CC1 ZINC000092619122 441815306 /nfs/dbraw/zinc/81/53/06/441815306.db2.gz YJYCUVZWWZZKNF-KRWDZBQOSA-N 1 2 348.491 1.324 20 30 EDEDLO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361462 441793714 /nfs/dbraw/zinc/79/37/14/441793714.db2.gz DODPDTRJNMVUMJ-AWEZNQCLSA-N 1 2 325.430 1.879 20 30 EDEDLO C=CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000092361462 441793722 /nfs/dbraw/zinc/79/37/22/441793722.db2.gz DODPDTRJNMVUMJ-AWEZNQCLSA-N 1 2 325.430 1.879 20 30 EDEDLO C=CC[N@@H+](Cc1cn(C)nc1-c1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361188 441794402 /nfs/dbraw/zinc/79/44/02/441794402.db2.gz QRGUENVVAFENHF-INIZCTEOSA-N 1 2 346.456 1.657 20 30 EDEDLO C=CC[N@H+](Cc1cn(C)nc1-c1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361188 441794410 /nfs/dbraw/zinc/79/44/10/441794410.db2.gz QRGUENVVAFENHF-INIZCTEOSA-N 1 2 346.456 1.657 20 30 EDEDLO C=CC[N@@H+](Cc1cn(C)nc1-c1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361187 441794702 /nfs/dbraw/zinc/79/47/02/441794702.db2.gz QRGUENVVAFENHF-MRXNPFEDSA-N 1 2 346.456 1.657 20 30 EDEDLO C=CC[N@H+](Cc1cn(C)nc1-c1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361187 441794703 /nfs/dbraw/zinc/79/47/03/441794703.db2.gz QRGUENVVAFENHF-MRXNPFEDSA-N 1 2 346.456 1.657 20 30 EDEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@@H]3CCN(C)C3=O)c2)n1 ZINC000116267783 441806732 /nfs/dbraw/zinc/80/67/32/441806732.db2.gz PYICDSIOGTVGCO-MRXNPFEDSA-N 1 2 341.415 1.416 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC3(CCCC3)C2)CC1 ZINC000092619122 441815302 /nfs/dbraw/zinc/81/53/02/441815302.db2.gz YJYCUVZWWZZKNF-KRWDZBQOSA-N 1 2 348.491 1.324 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000094158686 441908761 /nfs/dbraw/zinc/90/87/61/441908761.db2.gz IQLJNXOCOJENNJ-SFHVURJKSA-N 1 2 347.422 1.881 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000077868698 441881422 /nfs/dbraw/zinc/88/14/22/441881422.db2.gz GFMLWVJJLIESPM-UHFFFAOYSA-N 1 2 337.383 1.388 20 30 EDEDLO Cc1ccc(C#N)c(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)n1 ZINC000161189028 441969436 /nfs/dbraw/zinc/96/94/36/441969436.db2.gz QROSMPVIEMPYGJ-OAHLLOKOSA-N 1 2 341.459 1.831 20 30 EDEDLO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000119928829 441977118 /nfs/dbraw/zinc/97/71/18/441977118.db2.gz YIOOLVSDEVDZPX-MRXNPFEDSA-N 1 2 346.431 1.302 20 30 EDEDLO Cc1sc(NC(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)c(C#N)c1C ZINC000078720776 441965844 /nfs/dbraw/zinc/96/58/44/441965844.db2.gz WRNSPONJFJTIGO-UHFFFAOYSA-N 1 2 348.472 1.975 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000151270604 442035109 /nfs/dbraw/zinc/03/51/09/442035109.db2.gz HCFCWMVKHLSURV-PKOBYXMFSA-N 1 2 349.438 1.855 20 30 EDEDLO CCOC(=O)[C@H]1CSCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000164655324 442200461 /nfs/dbraw/zinc/20/04/61/442200461.db2.gz LFQIAYOGLAXYPS-OAHLLOKOSA-N 1 2 347.440 1.867 20 30 EDEDLO CCOC(=O)[C@H]1CSCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000164655324 442200465 /nfs/dbraw/zinc/20/04/65/442200465.db2.gz LFQIAYOGLAXYPS-OAHLLOKOSA-N 1 2 347.440 1.867 20 30 EDEDLO NC(CCO)=[NH+]OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000121353923 442206913 /nfs/dbraw/zinc/20/69/13/442206913.db2.gz LHRCLKAEXWFHDN-UHFFFAOYSA-N 1 2 339.701 1.969 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000127508860 442207939 /nfs/dbraw/zinc/20/79/39/442207939.db2.gz DQPUOTBZDNERIV-AWEZNQCLSA-N 1 2 338.452 1.690 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000127508860 442207940 /nfs/dbraw/zinc/20/79/40/442207940.db2.gz DQPUOTBZDNERIV-AWEZNQCLSA-N 1 2 338.452 1.690 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2O[C@@H]2CCOC2)CC1 ZINC000127570200 442212949 /nfs/dbraw/zinc/21/29/49/442212949.db2.gz ONEUFMKBOWGLKI-MRXNPFEDSA-N 1 2 343.427 1.044 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc(OCC#N)cc1 ZINC000170834809 442272349 /nfs/dbraw/zinc/27/23/49/442272349.db2.gz OGXXRAZEDDPFPE-UHFFFAOYSA-N 1 2 346.431 1.499 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc(OCC#N)cc1 ZINC000170834809 442272351 /nfs/dbraw/zinc/27/23/51/442272351.db2.gz OGXXRAZEDDPFPE-UHFFFAOYSA-N 1 2 346.431 1.499 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000177000223 442283056 /nfs/dbraw/zinc/28/30/56/442283056.db2.gz LVBXJNODJALBBE-CYBMUJFWSA-N 1 2 333.413 1.564 20 30 EDEDLO COC(=O)c1coc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000171033998 442301959 /nfs/dbraw/zinc/30/19/59/442301959.db2.gz QYWFPAYJQVUGKG-UHFFFAOYSA-N 1 2 326.356 1.655 20 30 EDEDLO N#Cc1csc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000177400333 442337258 /nfs/dbraw/zinc/33/72/58/442337258.db2.gz LTOSGBCCOIANRE-UHFFFAOYSA-N 1 2 346.456 1.390 20 30 EDEDLO N#Cc1csc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000177400333 442337261 /nfs/dbraw/zinc/33/72/61/442337261.db2.gz LTOSGBCCOIANRE-UHFFFAOYSA-N 1 2 346.456 1.390 20 30 EDEDLO COCCN1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179896245 442516452 /nfs/dbraw/zinc/51/64/52/442516452.db2.gz JEQZMBDUHBXOSB-UHFFFAOYSA-N 1 2 339.443 1.723 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCn3cccc3[C@H]2C)CC1 ZINC000180494485 442611750 /nfs/dbraw/zinc/61/17/50/442611750.db2.gz WNAUHCAKFWFZMJ-AEFFLSMTSA-N 1 2 343.475 1.557 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCn3cccc3[C@H]2C)CC1 ZINC000180494485 442611755 /nfs/dbraw/zinc/61/17/55/442611755.db2.gz WNAUHCAKFWFZMJ-AEFFLSMTSA-N 1 2 343.475 1.557 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCOC4(CCOCC4)C3)o2)cc1 ZINC000135622553 442619026 /nfs/dbraw/zinc/61/90/26/442619026.db2.gz TWZPZHMBWLMBEX-UHFFFAOYSA-N 1 2 340.383 1.990 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCOC4(CCOCC4)C3)o2)cc1 ZINC000135622553 442619028 /nfs/dbraw/zinc/61/90/28/442619028.db2.gz TWZPZHMBWLMBEX-UHFFFAOYSA-N 1 2 340.383 1.990 20 30 EDEDLO C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H](C(N)=O)C1 ZINC000187426787 442676214 /nfs/dbraw/zinc/67/62/14/442676214.db2.gz LLZMIBVYLNZAHZ-ZBFHGGJFSA-N 1 2 328.416 1.519 20 30 EDEDLO C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H](C(N)=O)C1 ZINC000187426787 442676217 /nfs/dbraw/zinc/67/62/17/442676217.db2.gz LLZMIBVYLNZAHZ-ZBFHGGJFSA-N 1 2 328.416 1.519 20 30 EDEDLO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182632731 442798184 /nfs/dbraw/zinc/79/81/84/442798184.db2.gz MGIYJQYZNNXXSP-MRXNPFEDSA-N 1 2 326.400 1.264 20 30 EDEDLO C[N@@H+](CC(=O)NC1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182632731 442798187 /nfs/dbraw/zinc/79/81/87/442798187.db2.gz MGIYJQYZNNXXSP-MRXNPFEDSA-N 1 2 326.400 1.264 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC000182640328 442799610 /nfs/dbraw/zinc/79/96/10/442799610.db2.gz IDQUQTXZFDJDPZ-MRXNPFEDSA-N 1 2 327.428 1.074 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC000182640328 442799612 /nfs/dbraw/zinc/79/96/12/442799612.db2.gz IDQUQTXZFDJDPZ-MRXNPFEDSA-N 1 2 327.428 1.074 20 30 EDEDLO C#CC[NH+]1CCN(CN2CC[C@](C)(Cc3ccccc3)C2=O)CC1 ZINC000188631585 442773984 /nfs/dbraw/zinc/77/39/84/442773984.db2.gz USVKMCRTHJLDNV-HXUWFJFHSA-N 1 2 325.456 1.676 20 30 EDEDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193768706 442783165 /nfs/dbraw/zinc/78/31/65/442783165.db2.gz XYBDOTMLXOMSEM-HNNXBMFYSA-N 1 2 329.448 1.770 20 30 EDEDLO C=C(C)CN(C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182542515 442783772 /nfs/dbraw/zinc/78/37/72/442783772.db2.gz WJKUQZZKXWLQRU-UHFFFAOYSA-N 1 2 345.447 1.338 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(CC)n(-c3ccccc3)n2)CC1 ZINC000265526823 442810514 /nfs/dbraw/zinc/81/05/14/442810514.db2.gz DQTUAYJGWAJFBY-UHFFFAOYSA-N 1 2 337.427 1.611 20 30 EDEDLO Cc1cccnc1/C=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000183481232 442933917 /nfs/dbraw/zinc/93/39/17/442933917.db2.gz JHCPOKINFAMOEZ-AATRIKPKSA-N 1 2 328.416 1.478 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000194841961 442960352 /nfs/dbraw/zinc/96/03/52/442960352.db2.gz RFERWPNFVPPFGB-UHFFFAOYSA-N 1 2 342.443 1.113 20 30 EDEDLO COc1cc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)ncn1 ZINC000184078991 442990088 /nfs/dbraw/zinc/99/00/88/442990088.db2.gz OFIUVGBYOLLYAO-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)COc3ccc(C#N)cc3)CC2)S1 ZINC000266044957 442997983 /nfs/dbraw/zinc/99/79/83/442997983.db2.gz BONRGPXLWBCSDC-ZDUSSCGKSA-N 1 2 344.440 1.573 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000268521914 443019876 /nfs/dbraw/zinc/01/98/76/443019876.db2.gz VGLQGSOHBINACA-NEPJUHHUSA-N 1 2 330.363 1.973 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000266155380 443037625 /nfs/dbraw/zinc/03/76/25/443037625.db2.gz HTTGHJCZHJAVFJ-VKJFTORMSA-N 1 2 343.427 1.505 20 30 EDEDLO COc1ccccc1CNC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000266211436 443059162 /nfs/dbraw/zinc/05/91/62/443059162.db2.gz ONCNYSPUDXEAGR-CYBMUJFWSA-N 1 2 337.420 1.661 20 30 EDEDLO C=CCN(CCOC)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000190550458 443135250 /nfs/dbraw/zinc/13/52/50/443135250.db2.gz JHKVUTJNRCADGD-UHFFFAOYSA-N 1 2 347.459 1.863 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000266573640 443172484 /nfs/dbraw/zinc/17/24/84/443172484.db2.gz FFEMOBOOBPBXMJ-AWEZNQCLSA-N 1 2 349.862 1.717 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000266573640 443172488 /nfs/dbraw/zinc/17/24/88/443172488.db2.gz FFEMOBOOBPBXMJ-AWEZNQCLSA-N 1 2 349.862 1.717 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000263705808 443236252 /nfs/dbraw/zinc/23/62/52/443236252.db2.gz MIXJZHURBGNDTB-UHFFFAOYSA-N 1 2 337.464 1.987 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000263705808 443236254 /nfs/dbraw/zinc/23/62/54/443236254.db2.gz MIXJZHURBGNDTB-UHFFFAOYSA-N 1 2 337.464 1.987 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000263685102 443236453 /nfs/dbraw/zinc/23/64/53/443236453.db2.gz JWUXCWWGDASCQP-HNNXBMFYSA-N 1 2 331.416 1.884 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000263685102 443236455 /nfs/dbraw/zinc/23/64/55/443236455.db2.gz JWUXCWWGDASCQP-HNNXBMFYSA-N 1 2 331.416 1.884 20 30 EDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000191083576 443237389 /nfs/dbraw/zinc/23/73/89/443237389.db2.gz YBEPVZCPNHIGQM-UHFFFAOYSA-N 1 2 331.416 1.886 20 30 EDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000191083576 443237392 /nfs/dbraw/zinc/23/73/92/443237392.db2.gz YBEPVZCPNHIGQM-UHFFFAOYSA-N 1 2 331.416 1.886 20 30 EDEDLO C=CC[N@@H+](CCOC)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000191086994 443238831 /nfs/dbraw/zinc/23/88/31/443238831.db2.gz BADNKCYOQOHSPF-ZDUSSCGKSA-N 1 2 338.429 1.774 20 30 EDEDLO C=CC[N@H+](CCOC)[C@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000191086994 443238835 /nfs/dbraw/zinc/23/88/35/443238835.db2.gz BADNKCYOQOHSPF-ZDUSSCGKSA-N 1 2 338.429 1.774 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000185701336 443240697 /nfs/dbraw/zinc/24/06/97/443240697.db2.gz HHEHOYFSWNUENG-HOCLYGCPSA-N 1 2 335.423 1.389 20 30 EDEDLO C=CCN(CCOC)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000190919319 443209763 /nfs/dbraw/zinc/20/97/63/443209763.db2.gz FRJPWOARUDUHQC-HNNXBMFYSA-N 1 2 348.447 1.651 20 30 EDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000245811892 443250066 /nfs/dbraw/zinc/25/00/66/443250066.db2.gz ZKXNGERZDDYENG-DLBZAZTESA-N 1 2 331.416 1.799 20 30 EDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000245811892 443250071 /nfs/dbraw/zinc/25/00/71/443250071.db2.gz ZKXNGERZDDYENG-DLBZAZTESA-N 1 2 331.416 1.799 20 30 EDEDLO N#Cc1cc(F)ccc1S(=O)(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000269654735 443381391 /nfs/dbraw/zinc/38/13/91/443381391.db2.gz JEOIKXOTHKZBQC-UHFFFAOYSA-N 1 2 334.376 1.709 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)CC1 ZINC000278524319 443353077 /nfs/dbraw/zinc/35/30/77/443353077.db2.gz DBEJMESMYZZEKS-IAGOWNOFSA-N 1 2 344.463 1.239 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)CC1 ZINC000278524319 443353079 /nfs/dbraw/zinc/35/30/79/443353079.db2.gz DBEJMESMYZZEKS-IAGOWNOFSA-N 1 2 344.463 1.239 20 30 EDEDLO C[C@](O)(C[NH+]1CCC(C)(C#N)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000272567655 443366774 /nfs/dbraw/zinc/36/67/74/443366774.db2.gz MPYBAIUJZAKNAM-KRWDZBQOSA-N 1 2 336.457 1.923 20 30 EDEDLO C#CCN(C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)C1CC1 ZINC000274038431 443591515 /nfs/dbraw/zinc/59/15/15/443591515.db2.gz AQFNLQLLHOGWOI-SFHVURJKSA-N 1 2 327.428 1.867 20 30 EDEDLO N#CCCn1cc(C[NH+]2CCN(CC#N)CC2)c(-c2ccncc2)n1 ZINC000279422213 443584675 /nfs/dbraw/zinc/58/46/75/443584675.db2.gz PEZMFHGYEPDUPV-UHFFFAOYSA-N 1 2 335.415 1.500 20 30 EDEDLO C#CC[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)C1CC1 ZINC000274152994 443596007 /nfs/dbraw/zinc/59/60/07/443596007.db2.gz LDXFXNLLRBIXAN-UHFFFAOYSA-N 1 2 343.383 1.594 20 30 EDEDLO C#CC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)C1CC1 ZINC000274152994 443596010 /nfs/dbraw/zinc/59/60/10/443596010.db2.gz LDXFXNLLRBIXAN-UHFFFAOYSA-N 1 2 343.383 1.594 20 30 EDEDLO N#CCCCOc1cccnc1NC(=O)NCC[NH+]1CCOCC1 ZINC000274875496 443613482 /nfs/dbraw/zinc/61/34/82/443613482.db2.gz DWIMZVQHWWJGEC-UHFFFAOYSA-N 1 2 333.392 1.218 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000276085374 443651187 /nfs/dbraw/zinc/65/11/87/443651187.db2.gz XKJQFGQIBZZNKB-KDOFPFPSSA-N 1 2 347.463 1.320 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000276085374 443651189 /nfs/dbraw/zinc/65/11/89/443651189.db2.gz XKJQFGQIBZZNKB-KDOFPFPSSA-N 1 2 347.463 1.320 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000286583038 443717951 /nfs/dbraw/zinc/71/79/51/443717951.db2.gz WRTIBTKIIDLXFV-DZGCQCFKSA-N 1 2 341.390 1.925 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCc2cccc(C#N)c2)C1 ZINC000276484208 443721751 /nfs/dbraw/zinc/72/17/51/443721751.db2.gz OHKIXBXVAHDGHU-SFHVURJKSA-N 1 2 342.443 1.810 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCc2cccc(C#N)c2)C1 ZINC000276484208 443721754 /nfs/dbraw/zinc/72/17/54/443721754.db2.gz OHKIXBXVAHDGHU-SFHVURJKSA-N 1 2 342.443 1.810 20 30 EDEDLO Cc1ccnc(C)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000287427519 443743968 /nfs/dbraw/zinc/74/39/68/443743968.db2.gz GKWHXWZLTGZEGB-UHFFFAOYSA-N 1 2 331.420 1.778 20 30 EDEDLO CCn1cc[nH+]c1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000298533783 443793259 /nfs/dbraw/zinc/79/32/59/443793259.db2.gz VIJVDRBCZSQHEL-AWEZNQCLSA-N 1 2 340.387 1.533 20 30 EDEDLO CC(=O)N1CC[NH+](CCNc2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000291752203 443765587 /nfs/dbraw/zinc/76/55/87/443765587.db2.gz ZZVNVDQHKAMVHN-UHFFFAOYSA-N 1 2 337.427 1.991 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)c1ccc(C#N)cc1 ZINC000284148278 443767894 /nfs/dbraw/zinc/76/78/94/443767894.db2.gz VODUVSOEGGESIH-JQFCIGGWSA-N 1 2 328.416 1.734 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1ccc(C#N)cc1 ZINC000284148278 443767897 /nfs/dbraw/zinc/76/78/97/443767897.db2.gz VODUVSOEGGESIH-JQFCIGGWSA-N 1 2 328.416 1.734 20 30 EDEDLO C=CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000284378891 443774109 /nfs/dbraw/zinc/77/41/09/443774109.db2.gz MABJQIARNKLBAI-QGZVFWFLSA-N 1 2 345.443 1.086 20 30 EDEDLO C=CCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000284378891 443774112 /nfs/dbraw/zinc/77/41/12/443774112.db2.gz MABJQIARNKLBAI-QGZVFWFLSA-N 1 2 345.443 1.086 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000284560887 443779725 /nfs/dbraw/zinc/77/97/25/443779725.db2.gz HFRRGCHCUMZEMW-IRXDYDNUSA-N 1 2 343.427 1.779 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](OC)C[C@H]1C(=O)N1CCCC1 ZINC000284560887 443779729 /nfs/dbraw/zinc/77/97/29/443779729.db2.gz HFRRGCHCUMZEMW-IRXDYDNUSA-N 1 2 343.427 1.779 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCc2ccc(F)cc2)C1=O ZINC000281335056 443883269 /nfs/dbraw/zinc/88/32/69/443883269.db2.gz MDGDJMIDSWZEAB-CZUORRHYSA-N 1 2 333.407 1.549 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCc2ccc(F)cc2)C1=O ZINC000281335056 443883272 /nfs/dbraw/zinc/88/32/72/443883272.db2.gz MDGDJMIDSWZEAB-CZUORRHYSA-N 1 2 333.407 1.549 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1=O ZINC000281372854 443893068 /nfs/dbraw/zinc/89/30/68/443893068.db2.gz OPLQYBYOENAFTD-HNNXBMFYSA-N 1 2 345.399 1.130 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1=O ZINC000281372854 443893071 /nfs/dbraw/zinc/89/30/71/443893071.db2.gz OPLQYBYOENAFTD-HNNXBMFYSA-N 1 2 345.399 1.130 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000281233257 443855227 /nfs/dbraw/zinc/85/52/27/443855227.db2.gz FOJQYVJXDMZRCE-SWLSCSKDSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000281233257 443855232 /nfs/dbraw/zinc/85/52/32/443855232.db2.gz FOJQYVJXDMZRCE-SWLSCSKDSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)C1=O ZINC000281301478 443873535 /nfs/dbraw/zinc/87/35/35/443873535.db2.gz JXIYXRNLJAQBBN-IEBWSBKVSA-N 1 2 341.455 1.973 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C2CC2)C1=O ZINC000281301478 443873540 /nfs/dbraw/zinc/87/35/40/443873540.db2.gz JXIYXRNLJAQBBN-IEBWSBKVSA-N 1 2 341.455 1.973 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000292912597 443876863 /nfs/dbraw/zinc/87/68/63/443876863.db2.gz FNUMHOBXWIDSSV-NSHDSACASA-N 1 2 328.294 1.032 20 30 EDEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000292912597 443876868 /nfs/dbraw/zinc/87/68/68/443876868.db2.gz FNUMHOBXWIDSSV-NSHDSACASA-N 1 2 328.294 1.032 20 30 EDEDLO CN(C)c1ncc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)s1 ZINC000299058352 443941578 /nfs/dbraw/zinc/94/15/78/443941578.db2.gz RPHMEYVHKBJBSS-UHFFFAOYSA-N 1 2 328.445 1.798 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000293018968 443904472 /nfs/dbraw/zinc/90/44/72/443904472.db2.gz QNRDKILSJIWMBM-SFHVURJKSA-N 1 2 341.455 1.620 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000293018968 443904476 /nfs/dbraw/zinc/90/44/76/443904476.db2.gz QNRDKILSJIWMBM-SFHVURJKSA-N 1 2 341.455 1.620 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2C)C1=O ZINC000281416719 443904610 /nfs/dbraw/zinc/90/46/10/443904610.db2.gz RNDWHADINUNDRS-KRWDZBQOSA-N 1 2 329.444 1.672 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2C)C1=O ZINC000281416719 443904615 /nfs/dbraw/zinc/90/46/15/443904615.db2.gz RNDWHADINUNDRS-KRWDZBQOSA-N 1 2 329.444 1.672 20 30 EDEDLO N#C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC000293076750 443918910 /nfs/dbraw/zinc/91/89/10/443918910.db2.gz YAENSOGGBZPTQL-SJORKVTESA-N 1 2 328.416 1.267 20 30 EDEDLO C=CCC(F)(F)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000293079639 443919984 /nfs/dbraw/zinc/91/99/84/443919984.db2.gz NTUFRGRLSUFMME-UHFFFAOYSA-N 1 2 336.346 1.223 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)C1=O ZINC000281527739 443936011 /nfs/dbraw/zinc/93/60/11/443936011.db2.gz ZUJYAWFYZVRPNL-HNNXBMFYSA-N 1 2 328.368 1.717 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)C1=O ZINC000281527739 443936015 /nfs/dbraw/zinc/93/60/15/443936015.db2.gz ZUJYAWFYZVRPNL-HNNXBMFYSA-N 1 2 328.368 1.717 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281600084 443955758 /nfs/dbraw/zinc/95/57/58/443955758.db2.gz GFZQOADTYPWPBL-IRXDYDNUSA-N 1 2 344.390 1.589 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281600084 443955761 /nfs/dbraw/zinc/95/57/61/443955761.db2.gz GFZQOADTYPWPBL-IRXDYDNUSA-N 1 2 344.390 1.589 20 30 EDEDLO C=CCOc1ccc(/C=C/C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1OC ZINC000299436032 444045797 /nfs/dbraw/zinc/04/57/97/444045797.db2.gz QNHWMMCOOSNRKK-BVBGJJFLSA-N 1 2 346.427 1.720 20 30 EDEDLO C=CCOc1ccc(/C=C/C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1OC ZINC000299436032 444045799 /nfs/dbraw/zinc/04/57/99/444045799.db2.gz QNHWMMCOOSNRKK-BVBGJJFLSA-N 1 2 346.427 1.720 20 30 EDEDLO C#CC[N@@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1ccccc1 ZINC000285526921 444016922 /nfs/dbraw/zinc/01/69/22/444016922.db2.gz FDJCWYBLQJNTDO-QGZVFWFLSA-N 1 2 341.455 1.639 20 30 EDEDLO C#CC[N@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1ccccc1 ZINC000285526921 444016925 /nfs/dbraw/zinc/01/69/25/444016925.db2.gz FDJCWYBLQJNTDO-QGZVFWFLSA-N 1 2 341.455 1.639 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)c1 ZINC000285545988 444023720 /nfs/dbraw/zinc/02/37/20/444023720.db2.gz LXGAWOWSVUMLAK-IAGOWNOFSA-N 1 2 331.416 1.242 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)c1 ZINC000285545988 444023724 /nfs/dbraw/zinc/02/37/24/444023724.db2.gz LXGAWOWSVUMLAK-IAGOWNOFSA-N 1 2 331.416 1.242 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cn1cnc2ccccc21 ZINC000299534971 444072309 /nfs/dbraw/zinc/07/23/09/444072309.db2.gz PAOPPDHEWARNCX-UHFFFAOYSA-N 1 2 341.415 1.111 20 30 EDEDLO CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000277915696 444064245 /nfs/dbraw/zinc/06/42/45/444064245.db2.gz XRGWUDMGWSJWQH-LBPRGKRZSA-N 1 2 330.392 1.604 20 30 EDEDLO N#Cc1csc(C[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)n1 ZINC000569860872 321330522 /nfs/dbraw/zinc/33/05/22/321330522.db2.gz NLMRIQGEHBKDAY-ZDUSSCGKSA-N 1 2 328.397 1.744 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CC(=O)Nc1cccc(C#N)c1 ZINC000285812569 444115709 /nfs/dbraw/zinc/11/57/09/444115709.db2.gz GKBWRAFDFZRXEC-YOEHRIQHSA-N 1 2 328.416 1.292 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000294625742 444130535 /nfs/dbraw/zinc/13/05/35/444130535.db2.gz RXVLGARDVJWMCS-UHFFFAOYSA-N 1 2 335.335 1.524 20 30 EDEDLO Cc1noc(CCC[NH+]2CCN(c3snc(C)c3C#N)CC2)n1 ZINC000289446845 444146433 /nfs/dbraw/zinc/14/64/33/444146433.db2.gz KSPHCQJKCXNFAP-UHFFFAOYSA-N 1 2 332.433 1.769 20 30 EDEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000282339989 444152225 /nfs/dbraw/zinc/15/22/25/444152225.db2.gz RMYVVHUVMYCYHF-UHFFFAOYSA-N 1 2 328.420 1.960 20 30 EDEDLO C=CCOc1ccc(CC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000296114495 444205879 /nfs/dbraw/zinc/20/58/79/444205879.db2.gz FEKUUYYUGJRGPO-MRXNPFEDSA-N 1 2 332.444 1.973 20 30 EDEDLO Cc1cc(C)c2ncc(C#N)c(N3CC[NH+]([C@H](C)C(N)=O)CC3)c2c1 ZINC000301755459 444188682 /nfs/dbraw/zinc/18/86/82/444188682.db2.gz CYCQKLOEQYPHJW-CQSZACIVSA-N 1 2 337.427 1.719 20 30 EDEDLO CCC1(CO)CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000305753279 444277886 /nfs/dbraw/zinc/27/78/86/444277886.db2.gz UMMASZMJAAWUIR-UHFFFAOYSA-N 1 2 336.457 1.816 20 30 EDEDLO Cn1cc(C[NH+]2CC(NC(=O)C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000297328786 444282981 /nfs/dbraw/zinc/28/29/81/444282981.db2.gz DTTPNEMNLSWFOM-UHFFFAOYSA-N 1 2 335.411 1.669 20 30 EDEDLO COc1cccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000290496290 444288254 /nfs/dbraw/zinc/28/82/54/444288254.db2.gz XYSSKVHLTXRRMF-UHFFFAOYSA-N 1 2 345.424 1.868 20 30 EDEDLO COc1cccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000290496290 444288256 /nfs/dbraw/zinc/28/82/56/444288256.db2.gz XYSSKVHLTXRRMF-UHFFFAOYSA-N 1 2 345.424 1.868 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)S1 ZINC000297559873 444301556 /nfs/dbraw/zinc/30/15/56/444301556.db2.gz RLFKIGVVZVRSLR-UHFFFAOYSA-N 1 2 346.416 1.865 20 30 EDEDLO CC1(C)CC[N@H+](C[C@H](O)COc2ccccc2C#N)CC[S@]1=O ZINC000322026304 444338743 /nfs/dbraw/zinc/33/87/43/444338743.db2.gz KEEVPFUKLTZFSD-NPMXOYFQSA-N 1 2 336.457 1.531 20 30 EDEDLO CC1(C)CC[N@@H+](C[C@H](O)COc2ccccc2C#N)CC[S@]1=O ZINC000322026304 444338744 /nfs/dbraw/zinc/33/87/44/444338744.db2.gz KEEVPFUKLTZFSD-NPMXOYFQSA-N 1 2 336.457 1.531 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](C2CCOCC2)C1 ZINC000328811358 444361367 /nfs/dbraw/zinc/36/13/67/444361367.db2.gz FHSBWDYNZIAGTN-ZBFHGGJFSA-N 1 2 325.453 1.370 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)cn1 ZINC000328825326 444365606 /nfs/dbraw/zinc/36/56/06/444365606.db2.gz HHMMYYGCOIJTEU-HZPDHXFCSA-N 1 2 333.436 1.019 20 30 EDEDLO CC(C)Cn1ccnc1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328853695 444375119 /nfs/dbraw/zinc/37/51/19/444375119.db2.gz CEJWHJOMJJUYSK-GJZGRUSLSA-N 1 2 335.452 1.358 20 30 EDEDLO CC(C)Cn1ccnc1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328853695 444375125 /nfs/dbraw/zinc/37/51/25/444375125.db2.gz CEJWHJOMJJUYSK-GJZGRUSLSA-N 1 2 335.452 1.358 20 30 EDEDLO Cn1c2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2n(C)c1=O ZINC000328933251 444409616 /nfs/dbraw/zinc/40/96/16/444409616.db2.gz DUPLDENZDQBKQG-NSHDSACASA-N 1 2 325.372 1.924 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000328933936 444411063 /nfs/dbraw/zinc/41/10/63/444411063.db2.gz CAXLFBPYCWULQT-ZNMIVQPWSA-N 1 2 344.415 1.769 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000328933936 444411064 /nfs/dbraw/zinc/41/10/64/444411064.db2.gz CAXLFBPYCWULQT-ZNMIVQPWSA-N 1 2 344.415 1.769 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC3(c4ccccc4)CC3)CC[C@@H]21 ZINC000328967190 444426737 /nfs/dbraw/zinc/42/67/37/444426737.db2.gz NHVNDJNYYJFBKY-CVEARBPZSA-N 1 2 342.443 1.977 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NCC3(c4ccccc4)CC3)CC[C@@H]21 ZINC000328967190 444426741 /nfs/dbraw/zinc/42/67/41/444426741.db2.gz NHVNDJNYYJFBKY-CVEARBPZSA-N 1 2 342.443 1.977 20 30 EDEDLO C=CCn1c(-c2cccnc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000337818888 444421832 /nfs/dbraw/zinc/42/18/32/444421832.db2.gz QGXUFUBKDKOUBV-UHFFFAOYSA-N 1 2 328.420 1.295 20 30 EDEDLO C=CCn1c([C@H]2OCC[C@@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000337822779 444424981 /nfs/dbraw/zinc/42/49/81/444424981.db2.gz SXTFVIGBZCVJMX-GJZGRUSLSA-N 1 2 335.452 1.330 20 30 EDEDLO CC(C)(C(=O)N[C@@H]1CCOC2(CCOCC2)C1)[NH+]1CCOCC1 ZINC000328674899 444425156 /nfs/dbraw/zinc/42/51/56/444425156.db2.gz KFJBVGBJSFWTDN-CQSZACIVSA-N 1 2 326.437 1.782 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000340454125 444387832 /nfs/dbraw/zinc/38/78/32/444387832.db2.gz FHVPEEKGMAFNLM-UHFFFAOYSA-N 1 2 340.427 1.972 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC[C@H](C)[S@@](C)=O)CCC2 ZINC000331302090 444463592 /nfs/dbraw/zinc/46/35/92/444463592.db2.gz XFKRIJYULVYYMP-UTWWPYJBSA-N 1 2 326.466 1.730 20 30 EDEDLO Cn1cnc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c1 ZINC000329073289 444465062 /nfs/dbraw/zinc/46/50/62/444465062.db2.gz OTGMGPYSVLGMFQ-MLGOLLRUSA-N 1 2 342.403 1.353 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cn(C)nc1C(F)(F)F ZINC000331319103 444465333 /nfs/dbraw/zinc/46/53/33/444465333.db2.gz HYXOYFHWLUDZFZ-SECBINFHSA-N 1 2 335.330 1.486 20 30 EDEDLO CC(C)(C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000328704217 444435646 /nfs/dbraw/zinc/43/56/46/444435646.db2.gz YDSTULRVBPVSLP-AWEZNQCLSA-N 1 2 337.464 1.987 20 30 EDEDLO Cc1ccn2cc(CNC(=O)N3CCCS(=O)(=O)CC3)[nH+]c2c1 ZINC000329011193 444444765 /nfs/dbraw/zinc/44/47/65/444444765.db2.gz OQFRPHCWSJGGAQ-UHFFFAOYSA-N 1 2 336.417 1.177 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccnc(NC(=O)C4CC4)c3)C[C@H]21 ZINC000329172777 444491753 /nfs/dbraw/zinc/49/17/53/444491753.db2.gz LCEKIAREHHRIDR-ZIAGYGMSSA-N 1 2 330.388 1.235 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccnc(NC(=O)C4CC4)c3)C[C@H]21 ZINC000329172777 444491756 /nfs/dbraw/zinc/49/17/56/444491756.db2.gz LCEKIAREHHRIDR-ZIAGYGMSSA-N 1 2 330.388 1.235 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000580451946 322054054 /nfs/dbraw/zinc/05/40/54/322054054.db2.gz MJWIXFYAEQQUEE-LBPRGKRZSA-N 1 2 325.372 1.459 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000580451946 322054056 /nfs/dbraw/zinc/05/40/56/322054056.db2.gz MJWIXFYAEQQUEE-LBPRGKRZSA-N 1 2 325.372 1.459 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000580452274 322054491 /nfs/dbraw/zinc/05/44/91/322054491.db2.gz VVAPHWOWPQTPSD-UHFFFAOYSA-N 1 2 345.403 1.109 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000332216934 444505581 /nfs/dbraw/zinc/50/55/81/444505581.db2.gz KWQPPQPWISUPST-UHFFFAOYSA-N 1 2 344.440 1.843 20 30 EDEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1C ZINC000332299070 444508697 /nfs/dbraw/zinc/50/86/97/444508697.db2.gz KWMGZNFSZCVRIK-UHFFFAOYSA-N 1 2 338.415 1.950 20 30 EDEDLO C[C@@H]1C[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCO1 ZINC000329241329 444510658 /nfs/dbraw/zinc/51/06/58/444510658.db2.gz ROKOTGODVJTTDE-IIAWOOMASA-N 1 2 328.478 1.966 20 30 EDEDLO Cc1noc([C@@H]2CCCN2C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)n1 ZINC000329247975 444512212 /nfs/dbraw/zinc/51/22/12/444512212.db2.gz WMCJCMQNYOWDEQ-BZPMIXESSA-N 1 2 337.424 1.538 20 30 EDEDLO Cc1ccn2cc(CNC(=O)N3CCOC[C@@H]3[C@H]3CCCO3)[nH+]c2c1 ZINC000329247633 444512235 /nfs/dbraw/zinc/51/22/35/444512235.db2.gz WFENNLNYKUVVQO-HZPDHXFCSA-N 1 2 344.415 1.937 20 30 EDEDLO CO[C@H](C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)C1CC1 ZINC000329277052 444519122 /nfs/dbraw/zinc/51/91/22/444519122.db2.gz CGDBUSOBDWBEHP-XYPHTWIQSA-N 1 2 346.431 1.996 20 30 EDEDLO CN(C)C(=O)CC1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000329343033 444542727 /nfs/dbraw/zinc/54/27/27/444542727.db2.gz PWNUPQAXHCALAI-OAHLLOKOSA-N 1 2 347.463 1.865 20 30 EDEDLO CC(C)(C)c1nc(=NC(=O)NCC[N@@H+]2CCOCC2(C)C)s[nH]1 ZINC000329353947 444547369 /nfs/dbraw/zinc/54/73/69/444547369.db2.gz YEKKITYFVIJSQU-UHFFFAOYSA-N 1 2 341.481 1.694 20 30 EDEDLO CC(C)(C)c1nc(=NC(=O)NCC[N@H+]2CCOCC2(C)C)s[nH]1 ZINC000329353947 444547371 /nfs/dbraw/zinc/54/73/71/444547371.db2.gz YEKKITYFVIJSQU-UHFFFAOYSA-N 1 2 341.481 1.694 20 30 EDEDLO O=C(C[N@@H+]1CCC[C@H](C2CC2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000329685499 444678728 /nfs/dbraw/zinc/67/87/28/444678728.db2.gz ZZPOYCDXFALAMC-STQMWFEESA-N 1 2 343.449 1.166 20 30 EDEDLO O=C(C[N@H+]1CCC[C@H](C2CC2)C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000329685499 444678733 /nfs/dbraw/zinc/67/87/33/444678733.db2.gz ZZPOYCDXFALAMC-STQMWFEESA-N 1 2 343.449 1.166 20 30 EDEDLO Cn1cc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(-c2ccccc2)n1 ZINC000329589487 444640184 /nfs/dbraw/zinc/64/01/84/444640184.db2.gz ZJBHGDSHXWJRHR-JKSUJKDBSA-N 1 2 341.415 1.647 20 30 EDEDLO Cn1cc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(-c2ccccc2)n1 ZINC000329589487 444640187 /nfs/dbraw/zinc/64/01/87/444640187.db2.gz ZJBHGDSHXWJRHR-JKSUJKDBSA-N 1 2 341.415 1.647 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2csc(-c3ccccn3)n2)C1 ZINC000329806184 444724355 /nfs/dbraw/zinc/72/43/55/444724355.db2.gz AYXPOSORGKOTQR-NSHDSACASA-N 1 2 333.417 1.862 20 30 EDEDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2csc(-c3ccccn3)n2)C1 ZINC000329806184 444724359 /nfs/dbraw/zinc/72/43/59/444724359.db2.gz AYXPOSORGKOTQR-NSHDSACASA-N 1 2 333.417 1.862 20 30 EDEDLO Cc1[nH]ncc1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000329814961 444727486 /nfs/dbraw/zinc/72/74/86/444727486.db2.gz DHRJGDPAJXXDAD-UHFFFAOYSA-N 1 2 335.452 1.709 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3C[C@H]4CCC[C@H]43)ccn2)CC1 ZINC000329845836 444737713 /nfs/dbraw/zinc/73/77/13/444737713.db2.gz OTAYBCCOUDZWOM-CZUORRHYSA-N 1 2 343.431 1.499 20 30 EDEDLO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cc(C#N)n1 ZINC000342562041 444745345 /nfs/dbraw/zinc/74/53/45/444745345.db2.gz HICPQTICSWTLPH-HNNXBMFYSA-N 1 2 327.432 1.395 20 30 EDEDLO CC(=O)N[C@H](CC1CCC1)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000329906689 444762925 /nfs/dbraw/zinc/76/29/25/444762925.db2.gz SIPXCAPYGKOBBS-IAOVAPTHSA-N 1 2 337.464 1.701 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]21 ZINC000329927084 444772103 /nfs/dbraw/zinc/77/21/03/444772103.db2.gz LIJTUSOIWWTWKD-GWCFXTLKSA-N 1 2 341.314 1.568 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]21 ZINC000329927084 444772105 /nfs/dbraw/zinc/77/21/05/444772105.db2.gz LIJTUSOIWWTWKD-GWCFXTLKSA-N 1 2 341.314 1.568 20 30 EDEDLO O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@H]1CC[S@@](=O)C1 ZINC000330024425 444815270 /nfs/dbraw/zinc/81/52/70/444815270.db2.gz JUSWTGUMFRDDTF-PSLXWICFSA-N 1 2 343.493 1.046 20 30 EDEDLO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@]2(CCOC2)O1 ZINC000330076659 444836062 /nfs/dbraw/zinc/83/60/62/444836062.db2.gz MLWRWIWAWNZSIL-SCLBCKFNSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@]2(CCOC2)O1 ZINC000330076659 444836064 /nfs/dbraw/zinc/83/60/64/444836064.db2.gz MLWRWIWAWNZSIL-SCLBCKFNSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@H](CNC(=O)N1CCO[C@H](c2cccc(O)c2)C1)[NH+]1CCOCC1 ZINC000330090172 444840064 /nfs/dbraw/zinc/84/00/64/444840064.db2.gz WOVOPGQWQDWITD-PBHICJAKSA-N 1 2 349.431 1.400 20 30 EDEDLO C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000330153788 444865654 /nfs/dbraw/zinc/86/56/54/444865654.db2.gz OGRCBHJZPULRGA-KGLIPLIRSA-N 1 2 346.493 1.800 20 30 EDEDLO C[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000330153788 444865657 /nfs/dbraw/zinc/86/56/57/444865657.db2.gz OGRCBHJZPULRGA-KGLIPLIRSA-N 1 2 346.493 1.800 20 30 EDEDLO CC(C)C(=O)N1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330202277 444887005 /nfs/dbraw/zinc/88/70/05/444887005.db2.gz ZBWFUJUVPYEBBZ-AWEZNQCLSA-N 1 2 333.436 1.302 20 30 EDEDLO CCCc1nc(C)c(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)o1 ZINC000330256952 444910172 /nfs/dbraw/zinc/91/01/72/444910172.db2.gz LBMFMQYJGIOUOX-KGLIPLIRSA-N 1 2 336.436 1.754 20 30 EDEDLO CCCc1nc(C)c(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)o1 ZINC000330256952 444910178 /nfs/dbraw/zinc/91/01/78/444910178.db2.gz LBMFMQYJGIOUOX-KGLIPLIRSA-N 1 2 336.436 1.754 20 30 EDEDLO 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N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](NC(=O)C3CCC3)C2)c1 ZINC000369065282 445905705 /nfs/dbraw/zinc/90/57/05/445905705.db2.gz OXUKAVOWVNXVCS-KRWDZBQOSA-N 1 2 340.427 1.165 20 30 EDEDLO CC(C)(C(=O)N1CC(Oc2ccc(C#N)cc2)C1)[NH+]1CCOCC1 ZINC000365997247 445952019 /nfs/dbraw/zinc/95/20/19/445952019.db2.gz ADBOHMBMCMQTQX-UHFFFAOYSA-N 1 2 329.400 1.259 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1C#N ZINC000361851545 446005772 /nfs/dbraw/zinc/00/57/72/446005772.db2.gz XJPNJYBGPUALDE-UHFFFAOYSA-N 1 2 338.390 1.933 20 30 EDEDLO COc1cc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1C#N ZINC000583354712 326054780 /nfs/dbraw/zinc/05/47/80/326054780.db2.gz GJAWNTILIJBHDC-CQSZACIVSA-N 1 2 325.372 1.578 20 30 EDEDLO C=CCC1(C(=O)N2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)CCC1 ZINC000365155747 446057885 /nfs/dbraw/zinc/05/78/85/446057885.db2.gz LIGSGIYKQIHZHB-IRXDYDNUSA-N 1 2 335.492 1.596 20 30 EDEDLO C=CCC1(C(=O)N2CC[N@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)CCC1 ZINC000365155747 446057893 /nfs/dbraw/zinc/05/78/93/446057893.db2.gz LIGSGIYKQIHZHB-IRXDYDNUSA-N 1 2 335.492 1.596 20 30 EDEDLO CC[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000366390619 446188966 /nfs/dbraw/zinc/18/89/66/446188966.db2.gz XLWGTKHCSINCTE-DLBZAZTESA-N 1 2 348.491 1.372 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@@]2(CCCOC2)O1 ZINC000369800497 446157598 /nfs/dbraw/zinc/15/75/98/446157598.db2.gz VLVLNAGGXLRNJF-KBAYOESNSA-N 1 2 335.448 1.455 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@@]2(CCCOC2)O1 ZINC000369800497 446157602 /nfs/dbraw/zinc/15/76/02/446157602.db2.gz VLVLNAGGXLRNJF-KBAYOESNSA-N 1 2 335.448 1.455 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000370376405 446253605 /nfs/dbraw/zinc/25/36/05/446253605.db2.gz AAUGYZAOZGQHRH-SJORKVTESA-N 1 2 329.400 1.054 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000370376405 446253610 /nfs/dbraw/zinc/25/36/10/446253610.db2.gz AAUGYZAOZGQHRH-SJORKVTESA-N 1 2 329.400 1.054 20 30 EDEDLO C[N@H+]([C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCCCNC1=O ZINC000365559839 446254908 /nfs/dbraw/zinc/25/49/08/446254908.db2.gz KJYUKEOSCKWQSB-IRXDYDNUSA-N 1 2 340.427 1.654 20 30 EDEDLO C[N@@H+]([C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCCCNC1=O ZINC000365559839 446254909 /nfs/dbraw/zinc/25/49/09/446254909.db2.gz KJYUKEOSCKWQSB-IRXDYDNUSA-N 1 2 340.427 1.654 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)nc1 ZINC000370544101 446326036 /nfs/dbraw/zinc/32/60/36/446326036.db2.gz OZAXBVQJYVIJJI-CQSZACIVSA-N 1 2 336.399 1.445 20 30 EDEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000374029020 446348074 /nfs/dbraw/zinc/34/80/74/446348074.db2.gz VGFLSTQPVSDVCP-GPMSIDNRSA-N 1 2 349.475 1.987 20 30 EDEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000374029020 446348078 /nfs/dbraw/zinc/34/80/78/446348078.db2.gz VGFLSTQPVSDVCP-GPMSIDNRSA-N 1 2 349.475 1.987 20 30 EDEDLO CCc1nc(C[N@H+]2C[C@H]3CN(c4nc(C)ccc4C#N)C[C@H]3C2)no1 ZINC000376107030 446337986 /nfs/dbraw/zinc/33/79/86/446337986.db2.gz OQAAYIZNLNUPNG-GASCZTMLSA-N 1 2 338.415 1.775 20 30 EDEDLO CCc1nc(C[N@@H+]2C[C@H]3CN(c4nc(C)ccc4C#N)C[C@H]3C2)no1 ZINC000376107030 446337993 /nfs/dbraw/zinc/33/79/93/446337993.db2.gz OQAAYIZNLNUPNG-GASCZTMLSA-N 1 2 338.415 1.775 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)C[N@@H+]2CCc3sccc3C2)C1=O ZINC000366853342 446383289 /nfs/dbraw/zinc/38/32/89/446383289.db2.gz RCPLUSZGTJSDON-AWEZNQCLSA-N 1 2 333.457 1.352 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)C[N@H+]2CCc3sccc3C2)C1=O ZINC000366853342 446383294 /nfs/dbraw/zinc/38/32/94/446383294.db2.gz RCPLUSZGTJSDON-AWEZNQCLSA-N 1 2 333.457 1.352 20 30 EDEDLO C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)C#N ZINC000433292114 446552070 /nfs/dbraw/zinc/55/20/70/446552070.db2.gz YSJGEFZFBAOZFV-KBPBESRZSA-N 1 2 331.416 1.813 20 30 EDEDLO C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)C#N ZINC000433292114 446552075 /nfs/dbraw/zinc/55/20/75/446552075.db2.gz YSJGEFZFBAOZFV-KBPBESRZSA-N 1 2 331.416 1.813 20 30 EDEDLO C=CCn1c(N(C)CC[NH+]2CCOCC2)nnc1[C@]1(C)CCCO1 ZINC000453444510 446556819 /nfs/dbraw/zinc/55/68/19/446556819.db2.gz SGQUYTCATYQQMG-KRWDZBQOSA-N 1 2 335.452 1.258 20 30 EDEDLO CCCNC(=O)NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376593946 446596307 /nfs/dbraw/zinc/59/63/07/446596307.db2.gz BOYIYAIHVMYCMG-UHFFFAOYSA-N 1 2 329.404 1.175 20 30 EDEDLO C=CCNC(=O)c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)nc1 ZINC000368109015 446646783 /nfs/dbraw/zinc/64/67/83/446646783.db2.gz MOGLJLOEBGOELD-UHFFFAOYSA-N 1 2 334.383 2.190 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434695052 446658799 /nfs/dbraw/zinc/65/87/99/446658799.db2.gz OXIRIGFKHFRZCC-KYHPRHEASA-N 1 2 338.496 1.470 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000434695052 446658807 /nfs/dbraw/zinc/65/88/07/446658807.db2.gz OXIRIGFKHFRZCC-KYHPRHEASA-N 1 2 338.496 1.470 20 30 EDEDLO C#CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000368444540 446866616 /nfs/dbraw/zinc/86/66/16/446866616.db2.gz CJRAXGJNGRYKMT-JJRVBVJISA-N 1 2 330.432 1.638 20 30 EDEDLO CN(C)c1ncc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000371465439 446873983 /nfs/dbraw/zinc/87/39/83/446873983.db2.gz DNXSTQDCDRBZGG-LIRRHRJNSA-N 1 2 348.410 1.388 20 30 EDEDLO CN(C)c1ncc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000371465439 446873985 /nfs/dbraw/zinc/87/39/85/446873985.db2.gz DNXSTQDCDRBZGG-LIRRHRJNSA-N 1 2 348.410 1.388 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1N(CCC#N)Cc1ccccn1 ZINC000377059047 446894498 /nfs/dbraw/zinc/89/44/98/446894498.db2.gz BDLXNEIGMFDERN-SJLPKXTDSA-N 1 2 329.448 1.507 20 30 EDEDLO Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1C#N ZINC000375583639 446906034 /nfs/dbraw/zinc/90/60/34/446906034.db2.gz KTFAJYCJPGRMMZ-UHFFFAOYSA-N 1 2 328.416 1.103 20 30 EDEDLO Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)cc1C#N ZINC000375583639 446906040 /nfs/dbraw/zinc/90/60/40/446906040.db2.gz KTFAJYCJPGRMMZ-UHFFFAOYSA-N 1 2 328.416 1.103 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](OCC3CC3)C2)nc1 ZINC000368578429 446954943 /nfs/dbraw/zinc/95/49/43/446954943.db2.gz MZPTVYPHMXBNHZ-INIZCTEOSA-N 1 2 349.456 1.618 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](OCC3CC3)C2)nc1 ZINC000368578429 446954946 /nfs/dbraw/zinc/95/49/46/446954946.db2.gz MZPTVYPHMXBNHZ-INIZCTEOSA-N 1 2 349.456 1.618 20 30 EDEDLO N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443010537 446996493 /nfs/dbraw/zinc/99/64/93/446996493.db2.gz FNCVFWHIIXOUCP-DZGCQCFKSA-N 1 2 330.413 1.902 20 30 EDEDLO CC(C)(CC#N)CNC(=O)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000421171254 447049230 /nfs/dbraw/zinc/04/92/30/447049230.db2.gz IFYZFYBGZSXVTN-UHFFFAOYSA-N 1 2 327.388 1.049 20 30 EDEDLO COCCCS(=O)(=O)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444638391 447113892 /nfs/dbraw/zinc/11/38/92/447113892.db2.gz KXWWBNSFXLVVJN-UHFFFAOYSA-N 1 2 345.509 1.690 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000425487746 447187456 /nfs/dbraw/zinc/18/74/56/447187456.db2.gz MJJYVAYESAAJEQ-WDEREUQCSA-N 1 2 338.433 1.588 20 30 EDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000368913091 447199533 /nfs/dbraw/zinc/19/95/33/447199533.db2.gz UCRCQRAYDXTLJR-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000368913091 447199537 /nfs/dbraw/zinc/19/95/37/447199537.db2.gz UCRCQRAYDXTLJR-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO CCC[C@@]1(CO)CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000377607309 447241191 /nfs/dbraw/zinc/24/11/91/447241191.db2.gz NWOZEDWKUKBVOK-QGZVFWFLSA-N 1 2 336.457 1.816 20 30 EDEDLO CCC[C@@]1(CO)CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000377607309 447241197 /nfs/dbraw/zinc/24/11/97/447241197.db2.gz NWOZEDWKUKBVOK-QGZVFWFLSA-N 1 2 336.457 1.816 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000447815066 447291643 /nfs/dbraw/zinc/29/16/43/447291643.db2.gz BKULJRQVRCDLPK-PGZVSCLCSA-N 1 2 337.464 1.698 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000447815066 447291649 /nfs/dbraw/zinc/29/16/49/447291649.db2.gz BKULJRQVRCDLPK-PGZVSCLCSA-N 1 2 337.464 1.698 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000369030367 447276973 /nfs/dbraw/zinc/27/69/73/447276973.db2.gz WCAHDDXWPIVRFS-RYRKJORJSA-N 1 2 341.411 1.448 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000369030367 447276979 /nfs/dbraw/zinc/27/69/79/447276979.db2.gz WCAHDDXWPIVRFS-RYRKJORJSA-N 1 2 341.411 1.448 20 30 EDEDLO CCCNC(=O)Nc1cccc(OC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000414151518 447278126 /nfs/dbraw/zinc/27/81/26/447278126.db2.gz QFFAVNIPORPEHY-OAHLLOKOSA-N 1 2 334.420 1.803 20 30 EDEDLO CCCNC(=O)Nc1cccc(OC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000414151518 447278135 /nfs/dbraw/zinc/27/81/35/447278135.db2.gz QFFAVNIPORPEHY-OAHLLOKOSA-N 1 2 334.420 1.803 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000456001957 447282260 /nfs/dbraw/zinc/28/22/60/447282260.db2.gz MOXUDXLDLNSIAR-UHFFFAOYSA-N 1 2 338.415 1.950 20 30 EDEDLO CC(C)(CC#N)CNC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000422474937 447581703 /nfs/dbraw/zinc/58/17/03/447581703.db2.gz FOTQXWCNIPCPMA-CQSZACIVSA-N 1 2 330.388 1.117 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428463151 447703589 /nfs/dbraw/zinc/70/35/89/447703589.db2.gz OYOHICUACRJNGT-ZDUSSCGKSA-N 1 2 325.409 1.601 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428463151 447703594 /nfs/dbraw/zinc/70/35/94/447703594.db2.gz OYOHICUACRJNGT-ZDUSSCGKSA-N 1 2 325.409 1.601 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(O)(C(F)F)CC1 ZINC000408367680 447655178 /nfs/dbraw/zinc/65/51/78/447655178.db2.gz XRFRTTSKZSPPLL-LBPRGKRZSA-N 1 2 329.391 1.810 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000408453594 447662333 /nfs/dbraw/zinc/66/23/33/447662333.db2.gz UKGPSUKLMPBUNR-VYDXJSESSA-N 1 2 337.464 1.699 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000408453594 447662337 /nfs/dbraw/zinc/66/23/37/447662337.db2.gz UKGPSUKLMPBUNR-VYDXJSESSA-N 1 2 337.464 1.699 20 30 EDEDLO CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459470607 447678410 /nfs/dbraw/zinc/67/84/10/447678410.db2.gz SRSMMRBFOWMXGX-HUUCEWRRSA-N 1 2 328.416 1.586 20 30 EDEDLO CCC[N@H+](CC(N)=O)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000429170656 447733192 /nfs/dbraw/zinc/73/31/92/447733192.db2.gz YCOWQWKYNCZRJE-UHFFFAOYSA-N 1 2 330.432 1.747 20 30 EDEDLO CCC[N@@H+](CC(N)=O)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000429170656 447733197 /nfs/dbraw/zinc/73/31/97/447733197.db2.gz YCOWQWKYNCZRJE-UHFFFAOYSA-N 1 2 330.432 1.747 20 30 EDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000489444896 447857639 /nfs/dbraw/zinc/85/76/39/447857639.db2.gz XLIYIWVXEWJOON-LBPRGKRZSA-N 1 2 330.367 1.780 20 30 EDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000489444896 447857646 /nfs/dbraw/zinc/85/76/46/447857646.db2.gz XLIYIWVXEWJOON-LBPRGKRZSA-N 1 2 330.367 1.780 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C(C)=O)cc2Cl)CC1 ZINC000490986622 447912570 /nfs/dbraw/zinc/91/25/70/447912570.db2.gz UYJSBEYLFYGVER-UHFFFAOYSA-N 1 2 334.803 1.699 20 30 EDEDLO C[C@H]1C[N@H+](Cn2cccc(C#N)c2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000497170904 447919319 /nfs/dbraw/zinc/91/93/19/447919319.db2.gz SSIYIPXORRNPFG-ZFWWWQNUSA-N 1 2 346.431 1.913 20 30 EDEDLO C[C@H]1C[N@@H+](Cn2cccc(C#N)c2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000497170904 447919325 /nfs/dbraw/zinc/91/93/25/447919325.db2.gz SSIYIPXORRNPFG-ZFWWWQNUSA-N 1 2 346.431 1.913 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nnc3n2CCCC3)cc1 ZINC000575924046 447929262 /nfs/dbraw/zinc/92/92/62/447929262.db2.gz WDTAPCVFXZHCRO-UHFFFAOYSA-N 1 2 345.428 1.050 20 30 EDEDLO C#CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)C1CCCC1 ZINC000491277703 447981098 /nfs/dbraw/zinc/98/10/98/447981098.db2.gz PODFDUWJDJAAKD-QGZVFWFLSA-N 1 2 344.459 1.888 20 30 EDEDLO C#CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)C1CCCC1 ZINC000491277703 447981103 /nfs/dbraw/zinc/98/11/03/447981103.db2.gz PODFDUWJDJAAKD-QGZVFWFLSA-N 1 2 344.459 1.888 20 30 EDEDLO COc1cc(C[NH+]2CCN(c3ncncc3C#N)CC2)cc(OC)c1 ZINC000570327607 447986593 /nfs/dbraw/zinc/98/65/93/447986593.db2.gz ZPCKOHBJMHJURL-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO C#C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)C(C)(C)C ZINC000491351879 448001961 /nfs/dbraw/zinc/00/19/61/448001961.db2.gz WFNXBNHJTZDEES-GJZGRUSLSA-N 1 2 332.448 1.647 20 30 EDEDLO C#C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)C(C)(C)C ZINC000491351879 448001967 /nfs/dbraw/zinc/00/19/67/448001967.db2.gz WFNXBNHJTZDEES-GJZGRUSLSA-N 1 2 332.448 1.647 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3scnc3C)n2C2CC2)CC1 ZINC000491553955 448055728 /nfs/dbraw/zinc/05/57/28/448055728.db2.gz FCEKDPYIONGJGE-UHFFFAOYSA-N 1 2 328.445 1.800 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000491656465 448074819 /nfs/dbraw/zinc/07/48/19/448074819.db2.gz SPQDQLXQMFVRDW-MEDUHNTESA-N 1 2 330.344 1.273 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000491656465 448074822 /nfs/dbraw/zinc/07/48/22/448074822.db2.gz SPQDQLXQMFVRDW-MEDUHNTESA-N 1 2 330.344 1.273 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCCCO2)CC1 ZINC000491661849 448078236 /nfs/dbraw/zinc/07/82/36/448078236.db2.gz BAAWLWZTHKYLPI-KRWDZBQOSA-N 1 2 343.475 1.870 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000555650876 448088661 /nfs/dbraw/zinc/08/86/61/448088661.db2.gz UBWJAPJJGGLFIR-CQSZACIVSA-N 1 2 338.415 1.026 20 30 EDEDLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(CCC#N)CC1 ZINC000576581460 448089803 /nfs/dbraw/zinc/08/98/03/448089803.db2.gz VJJKPGJCHGBHDJ-ZFWWWQNUSA-N 1 2 341.477 1.036 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCC[Si](C)(C)C)CC1 ZINC000491766510 448113698 /nfs/dbraw/zinc/11/36/98/448113698.db2.gz DTTJZKCNFTXMRH-UHFFFAOYSA-N 1 2 337.540 1.389 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC[Si](C)(C)C)CC1 ZINC000491766510 448113702 /nfs/dbraw/zinc/11/37/02/448113702.db2.gz DTTJZKCNFTXMRH-UHFFFAOYSA-N 1 2 337.540 1.389 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C2CC2)CC1 ZINC000491783139 448121522 /nfs/dbraw/zinc/12/15/22/448121522.db2.gz QDCDPUMMHAEWKV-UHFFFAOYSA-N 1 2 339.447 1.230 20 30 EDEDLO C#CCN(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C1CC1 ZINC000491795882 448128405 /nfs/dbraw/zinc/12/84/05/448128405.db2.gz XTJNZDUATLMNQD-KRWDZBQOSA-N 1 2 342.443 1.642 20 30 EDEDLO C#CCN(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C1CC1 ZINC000491795882 448128408 /nfs/dbraw/zinc/12/84/08/448128408.db2.gz XTJNZDUATLMNQD-KRWDZBQOSA-N 1 2 342.443 1.642 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)c2c[nH]c3ncccc23)C1=O ZINC000531948800 448175907 /nfs/dbraw/zinc/17/59/07/448175907.db2.gz VLEYCDMRFOOPFY-DOMZBBRYSA-N 1 2 326.400 1.853 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)c2c[nH]c3ncccc23)C1=O ZINC000531948800 448175908 /nfs/dbraw/zinc/17/59/08/448175908.db2.gz VLEYCDMRFOOPFY-DOMZBBRYSA-N 1 2 326.400 1.853 20 30 EDEDLO C=CC[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000492256485 448201049 /nfs/dbraw/zinc/20/10/49/448201049.db2.gz GAJPNBAIBFPKIO-STQMWFEESA-N 1 2 332.466 1.575 20 30 EDEDLO C=CC[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000492256485 448201052 /nfs/dbraw/zinc/20/10/52/448201052.db2.gz GAJPNBAIBFPKIO-STQMWFEESA-N 1 2 332.466 1.575 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 ZINC000514540447 448163578 /nfs/dbraw/zinc/16/35/78/448163578.db2.gz IUYNRJORJYKARK-UHFFFAOYSA-N 1 2 343.353 1.228 20 30 EDEDLO Cc1nc(N)c(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)c[nH+]1 ZINC000556844258 448165706 /nfs/dbraw/zinc/16/57/06/448165706.db2.gz VUABCQYEPGHMDQ-UHFFFAOYSA-N 1 2 325.372 1.713 20 30 EDEDLO C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000562519859 448257484 /nfs/dbraw/zinc/25/74/84/448257484.db2.gz QSPRPNNVSJLSIF-GTNSWQLSSA-N 1 2 325.372 1.888 20 30 EDEDLO Cc1cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1-c1nc(C)cc(C)n1 ZINC000563816072 448314892 /nfs/dbraw/zinc/31/48/92/448314892.db2.gz ZQUBBBKGFLLBDS-KRWDZBQOSA-N 1 2 341.419 1.161 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1nccc(C#N)c1Cl ZINC000564226411 448324961 /nfs/dbraw/zinc/32/49/61/448324961.db2.gz XAKISVZKOUDSKU-QMTHXVAHSA-N 1 2 330.779 1.772 20 30 EDEDLO C[C@@H]1C(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C(=O)N1c1ccccc1 ZINC000582892239 448369503 /nfs/dbraw/zinc/36/95/03/448369503.db2.gz AUWMUVRSOXQMCK-UKRRQHHQSA-N 1 2 330.388 1.050 20 30 EDEDLO C[C@@H]1C(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C(=O)N1c1ccccc1 ZINC000582892239 448369508 /nfs/dbraw/zinc/36/95/08/448369508.db2.gz AUWMUVRSOXQMCK-UKRRQHHQSA-N 1 2 330.388 1.050 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000577572921 448326864 /nfs/dbraw/zinc/32/68/64/448326864.db2.gz JRBMBMDSJLWDKE-WFASDCNBSA-N 1 2 328.372 1.370 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000577927941 448416952 /nfs/dbraw/zinc/41/69/52/448416952.db2.gz IZHMAKKDFLQWEX-MZMPZRCHSA-N 1 2 329.400 1.355 20 30 EDEDLO C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000577927941 448416955 /nfs/dbraw/zinc/41/69/55/448416955.db2.gz IZHMAKKDFLQWEX-MZMPZRCHSA-N 1 2 329.400 1.355 20 30 EDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000572820161 448471454 /nfs/dbraw/zinc/47/14/54/448471454.db2.gz VSKYBJFKOVNPLE-GBESFXJTSA-N 1 2 339.439 1.985 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000591817973 448497334 /nfs/dbraw/zinc/49/73/34/448497334.db2.gz BFFZJZIRSYDIFW-CYBMUJFWSA-N 1 2 339.443 1.231 20 30 EDEDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@@](O)(CC#N)C2)c[nH+]1 ZINC000591906640 448561005 /nfs/dbraw/zinc/56/10/05/448561005.db2.gz WFICUCQPETUBJD-KRWDZBQOSA-N 1 2 331.420 1.488 20 30 EDEDLO Cc1nc(C)n(C2C[NH+](C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000573082702 448538620 /nfs/dbraw/zinc/53/86/20/448538620.db2.gz VPWBCVLWSVSJJN-MRXNPFEDSA-N 1 2 327.388 1.063 20 30 EDEDLO C[C@H]1COC(C)(C)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528471553 448540630 /nfs/dbraw/zinc/54/06/30/448540630.db2.gz GBLROXUFMKZPDU-AWEZNQCLSA-N 1 2 326.396 1.785 20 30 EDEDLO C[C@H]1COC(C)(C)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528471553 448540637 /nfs/dbraw/zinc/54/06/37/448540637.db2.gz GBLROXUFMKZPDU-AWEZNQCLSA-N 1 2 326.396 1.785 20 30 EDEDLO CC(=O)N1CC[NH+](CCNC(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000539785576 448619516 /nfs/dbraw/zinc/61/95/16/448619516.db2.gz NKPZBWYEVQCYTA-UHFFFAOYSA-N 1 2 334.807 1.106 20 30 EDEDLO N#Cc1cnn2cc(C[N@H+]3CC[C@@H](n4cc(Cl)cn4)C3)cnc12 ZINC000567352834 448674679 /nfs/dbraw/zinc/67/46/79/448674679.db2.gz PIWNDMQZFWVVJH-CQSZACIVSA-N 1 2 327.779 1.898 20 30 EDEDLO N#Cc1cnn2cc(C[N@@H+]3CC[C@@H](n4cc(Cl)cn4)C3)cnc12 ZINC000567352834 448674684 /nfs/dbraw/zinc/67/46/84/448674684.db2.gz PIWNDMQZFWVVJH-CQSZACIVSA-N 1 2 327.779 1.898 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000592147467 448707306 /nfs/dbraw/zinc/70/73/06/448707306.db2.gz OUMHOZJHNLQACO-AWEZNQCLSA-N 1 2 335.205 1.947 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000592147467 448707310 /nfs/dbraw/zinc/70/73/10/448707310.db2.gz OUMHOZJHNLQACO-AWEZNQCLSA-N 1 2 335.205 1.947 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000592148557 448709417 /nfs/dbraw/zinc/70/94/17/448709417.db2.gz ZMLNPDAPSPRIHR-MRXNPFEDSA-N 1 2 345.428 1.282 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000592148557 448709418 /nfs/dbraw/zinc/70/94/18/448709418.db2.gz ZMLNPDAPSPRIHR-MRXNPFEDSA-N 1 2 345.428 1.282 20 30 EDEDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149124 448709423 /nfs/dbraw/zinc/70/94/23/448709423.db2.gz JEFREVRGPGFXAL-MEDUHNTESA-N 1 2 334.351 1.213 20 30 EDEDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149124 448709426 /nfs/dbraw/zinc/70/94/26/448709426.db2.gz JEFREVRGPGFXAL-MEDUHNTESA-N 1 2 334.351 1.213 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152483 448713094 /nfs/dbraw/zinc/71/30/94/448713094.db2.gz YAJAOFSXISIKQQ-ACJLOTCBSA-N 1 2 339.399 1.754 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152483 448713096 /nfs/dbraw/zinc/71/30/96/448713096.db2.gz YAJAOFSXISIKQQ-ACJLOTCBSA-N 1 2 339.399 1.754 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000592151470 448713294 /nfs/dbraw/zinc/71/32/94/448713294.db2.gz PIICPOZTJXSJFI-FUHWJXTLSA-N 1 2 347.390 1.076 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000592151470 448713300 /nfs/dbraw/zinc/71/33/00/448713300.db2.gz PIICPOZTJXSJFI-FUHWJXTLSA-N 1 2 347.390 1.076 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000592152325 448713369 /nfs/dbraw/zinc/71/33/69/448713369.db2.gz XLHIXPBDKKKROZ-ZBFHGGJFSA-N 1 2 337.782 1.935 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000592152325 448713372 /nfs/dbraw/zinc/71/33/72/448713372.db2.gz XLHIXPBDKKKROZ-ZBFHGGJFSA-N 1 2 337.782 1.935 20 30 EDEDLO CN1CC[NH+]([C@H](CNC(=O)NCCCC#N)c2cccs2)CC1 ZINC000544253907 448757426 /nfs/dbraw/zinc/75/74/26/448757426.db2.gz XODCBADEVCDWRI-CQSZACIVSA-N 1 2 335.477 1.640 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000592387432 448819284 /nfs/dbraw/zinc/81/92/84/448819284.db2.gz BKWGMGATOWCWHL-OAHLLOKOSA-N 1 2 328.397 1.288 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000587056516 448833690 /nfs/dbraw/zinc/83/36/90/448833690.db2.gz HPYJMFPVAIISJL-CRAIPNDOSA-N 1 2 335.411 1.855 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000568518549 448883564 /nfs/dbraw/zinc/88/35/64/448883564.db2.gz GYZXGCZPIMVJJV-INIZCTEOSA-N 1 2 349.822 1.443 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000588282710 448890968 /nfs/dbraw/zinc/89/09/68/448890968.db2.gz VXCQRWDHWMKIPA-UHFFFAOYSA-N 1 2 340.387 1.428 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000580887800 448960441 /nfs/dbraw/zinc/96/04/41/448960441.db2.gz PKMULNRMNRUDFB-SJORKVTESA-N 1 2 349.475 1.028 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000581694380 448982828 /nfs/dbraw/zinc/98/28/28/448982828.db2.gz ONGCJINFQVWNDC-SFHVURJKSA-N 1 2 330.432 1.289 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000581694380 448982833 /nfs/dbraw/zinc/98/28/33/448982833.db2.gz ONGCJINFQVWNDC-SFHVURJKSA-N 1 2 330.432 1.289 20 30 EDEDLO COc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000548368870 449033122 /nfs/dbraw/zinc/03/31/22/449033122.db2.gz YVXWFWPLSBWEDA-UHFFFAOYSA-N 1 2 346.412 1.824 20 30 EDEDLO N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)n1 ZINC000592947370 449072191 /nfs/dbraw/zinc/07/21/91/449072191.db2.gz FNQDESRDTHRJLW-CQSZACIVSA-N 1 2 336.399 1.061 20 30 EDEDLO CSc1nc(C)c(CCC(=O)N[C@](C)(C#N)C[NH+](C)C)c(C)n1 ZINC000589826921 449065240 /nfs/dbraw/zinc/06/52/40/449065240.db2.gz FIFAYHNFBLTQRC-MRXNPFEDSA-N 1 2 335.477 1.708 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(C3(O)CC3)CC2)cc1 ZINC000593050088 449114371 /nfs/dbraw/zinc/11/43/71/449114371.db2.gz OOCQCKVKIVNFMM-UHFFFAOYSA-N 1 2 334.441 1.569 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593076386 449124834 /nfs/dbraw/zinc/12/48/34/449124834.db2.gz ATVYVKJTPJPQRQ-UHFFFAOYSA-N 1 2 326.360 1.970 20 30 EDEDLO C[C@H](c1ccccc1)N1C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1=O ZINC000593155558 449154309 /nfs/dbraw/zinc/15/43/09/449154309.db2.gz BWFNVPAHXGJJDQ-OGWOLHLISA-N 1 2 342.443 1.556 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000593155764 449154318 /nfs/dbraw/zinc/15/43/18/449154318.db2.gz AUZJSXDWGFQWPC-KRWDZBQOSA-N 1 2 327.388 1.228 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@H]1COCCO1 ZINC000595735941 449139054 /nfs/dbraw/zinc/13/90/54/449139054.db2.gz JLAUTMORVZGMPD-NEPJUHHUSA-N 1 2 349.456 1.783 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@H]1COCCO1 ZINC000595735941 449139056 /nfs/dbraw/zinc/13/90/56/449139056.db2.gz JLAUTMORVZGMPD-NEPJUHHUSA-N 1 2 349.456 1.783 20 30 EDEDLO N#Cc1nc(NCc2ccc[nH+]c2N2CCOCC2)sc1Cl ZINC000590571044 449196066 /nfs/dbraw/zinc/19/60/66/449196066.db2.gz JPQRIABXHPMLNS-UHFFFAOYSA-N 1 2 335.820 2.512 20 30 EDEDLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595838847 449199956 /nfs/dbraw/zinc/19/99/56/449199956.db2.gz XXZFRAJXZYMIPN-IBGZPJMESA-N 1 2 348.491 1.623 20 30 EDEDLO CC(C)CCNC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595838847 449199962 /nfs/dbraw/zinc/19/99/62/449199962.db2.gz XXZFRAJXZYMIPN-IBGZPJMESA-N 1 2 348.491 1.623 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CCN(CCC#N)CC2)c1 ZINC000611174693 449200406 /nfs/dbraw/zinc/20/04/06/449200406.db2.gz KZZOODRWNBKIIA-AWEZNQCLSA-N 1 2 343.431 1.503 20 30 EDEDLO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCN(CCC#N)CC1 ZINC000611174707 449200576 /nfs/dbraw/zinc/20/05/76/449200576.db2.gz PASRBNVRCFQVLM-RDJZCZTQSA-N 1 2 342.443 1.546 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ncc[nH]3)CC2)cc1 ZINC000590589958 449205288 /nfs/dbraw/zinc/20/52/88/449205288.db2.gz QHSGZRIZTZJMAP-UHFFFAOYSA-N 1 2 345.428 1.178 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ncc[nH]3)CC2)cc1 ZINC000590589958 449205297 /nfs/dbraw/zinc/20/52/97/449205297.db2.gz QHSGZRIZTZJMAP-UHFFFAOYSA-N 1 2 345.428 1.178 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601888697 449206931 /nfs/dbraw/zinc/20/69/31/449206931.db2.gz VPBHFRNMJFKXBZ-UHFFFAOYSA-N 1 2 325.372 1.250 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)s1 ZINC000601887992 449207305 /nfs/dbraw/zinc/20/73/05/449207305.db2.gz MGGQVERTVGKNBI-UHFFFAOYSA-N 1 2 327.413 1.410 20 30 EDEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000593846288 449233986 /nfs/dbraw/zinc/23/39/86/449233986.db2.gz SESFNEPOJJXEFE-OAHLLOKOSA-N 1 2 337.387 1.718 20 30 EDEDLO Cc1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)nn1CCC#N ZINC000611481945 449302037 /nfs/dbraw/zinc/30/20/37/449302037.db2.gz HRSXZDPBHXJQBG-AWEZNQCLSA-N 1 2 327.392 2.171 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000593966678 449307846 /nfs/dbraw/zinc/30/78/46/449307846.db2.gz QKOGPUMENNPCIX-ZDUSSCGKSA-N 1 2 343.391 1.844 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000593966678 449307853 /nfs/dbraw/zinc/30/78/53/449307853.db2.gz QKOGPUMENNPCIX-ZDUSSCGKSA-N 1 2 343.391 1.844 20 30 EDEDLO N#CCC(=O)N1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000594003517 449319270 /nfs/dbraw/zinc/31/92/70/449319270.db2.gz PXCKFEJLMRTACA-UHFFFAOYSA-N 1 2 325.771 1.916 20 30 EDEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](OC(F)F)C3)C2=O)cc1 ZINC000611567824 449340716 /nfs/dbraw/zinc/34/07/16/449340716.db2.gz RVYNVYNYEHKDHG-KGLIPLIRSA-N 1 2 349.337 1.894 20 30 EDEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](OC(F)F)C3)C2=O)cc1 ZINC000611567824 449340721 /nfs/dbraw/zinc/34/07/21/449340721.db2.gz RVYNVYNYEHKDHG-KGLIPLIRSA-N 1 2 349.337 1.894 20 30 EDEDLO CCc1nc(C#N)cc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)n1 ZINC000596060402 449341853 /nfs/dbraw/zinc/34/18/53/449341853.db2.gz HPPCUHZXCGSNNH-UHFFFAOYSA-N 1 2 347.426 1.881 20 30 EDEDLO CCc1nc(C#N)cc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)n1 ZINC000596060402 449341856 /nfs/dbraw/zinc/34/18/56/449341856.db2.gz HPPCUHZXCGSNNH-UHFFFAOYSA-N 1 2 347.426 1.881 20 30 EDEDLO N#Cc1cnnc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000596066761 449345623 /nfs/dbraw/zinc/34/56/23/449345623.db2.gz QIVCARQARQNSSF-UHFFFAOYSA-N 1 2 336.399 1.863 20 30 EDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000593534511 449331370 /nfs/dbraw/zinc/33/13/70/449331370.db2.gz BTRSSUXZCVWGOC-HNNXBMFYSA-N 1 2 331.416 1.768 20 30 EDEDLO CC(C)N1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1=O ZINC000611554093 449334471 /nfs/dbraw/zinc/33/44/71/449334471.db2.gz RREZKMGNDUNSKC-INIZCTEOSA-N 1 2 331.416 1.045 20 30 EDEDLO CC(C)N1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1=O ZINC000611554093 449334474 /nfs/dbraw/zinc/33/44/74/449334474.db2.gz RREZKMGNDUNSKC-INIZCTEOSA-N 1 2 331.416 1.045 20 30 EDEDLO Cc1cc(NCCNC(=O)N2CC[C@@](F)(C#N)C2)nc(C(C)C)[nH+]1 ZINC000602356991 449537744 /nfs/dbraw/zinc/53/77/44/449537744.db2.gz HCVAISNJBKTWJR-MRXNPFEDSA-N 1 2 334.399 1.968 20 30 EDEDLO COC(=O)[C@@H]([NH3+])Cc1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1 ZINC000594656159 449610810 /nfs/dbraw/zinc/61/08/10/449610810.db2.gz GAUSTDMPOZWQDA-LBPRGKRZSA-N 1 2 339.277 1.201 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596703677 449614539 /nfs/dbraw/zinc/61/45/39/449614539.db2.gz QZRYYVURZBZWNU-HNNXBMFYSA-N 1 2 344.415 1.895 20 30 EDEDLO CCOC(=O)C1CC[NH+](Cc2cn([C@@H]3CC[C@@H](C#N)C3)nn2)CC1 ZINC000600973062 449625616 /nfs/dbraw/zinc/62/56/16/449625616.db2.gz JCGZJYCRZGMMSP-CZUORRHYSA-N 1 2 331.420 1.918 20 30 EDEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598945338 449662366 /nfs/dbraw/zinc/66/23/66/449662366.db2.gz ZBGDEMHFNSCSDL-CQSZACIVSA-N 1 2 349.398 1.088 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000596945264 449729961 /nfs/dbraw/zinc/72/99/61/449729961.db2.gz GSDNUBQXNRHCLA-SJLPKXTDSA-N 1 2 343.475 1.604 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000596945264 449729967 /nfs/dbraw/zinc/72/99/67/449729967.db2.gz GSDNUBQXNRHCLA-SJLPKXTDSA-N 1 2 343.475 1.604 20 30 EDEDLO C[N@@H+]1CCOC[C@@H]1CNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000599161242 449771263 /nfs/dbraw/zinc/77/12/63/449771263.db2.gz WSUWEDZQPQUVER-LBPRGKRZSA-N 1 2 348.353 1.872 20 30 EDEDLO C[N@H+]1CCOC[C@@H]1CNc1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000599161242 449771267 /nfs/dbraw/zinc/77/12/67/449771267.db2.gz WSUWEDZQPQUVER-LBPRGKRZSA-N 1 2 348.353 1.872 20 30 EDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)CCOCC1 ZINC000599322371 449890679 /nfs/dbraw/zinc/89/06/79/449890679.db2.gz ZFMAVELSZULPCR-ZWKOTPCHSA-N 1 2 346.427 1.837 20 30 EDEDLO N#CC1(C[C@H](O)C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)CCOCC1 ZINC000599322371 449890683 /nfs/dbraw/zinc/89/06/83/449890683.db2.gz ZFMAVELSZULPCR-ZWKOTPCHSA-N 1 2 346.427 1.837 20 30 EDEDLO CC(C)CN1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)[C@H](C)C1=O ZINC000599379855 449931922 /nfs/dbraw/zinc/93/19/22/449931922.db2.gz VESDXOBIYXFAHG-HZPDHXFCSA-N 1 2 337.464 1.246 20 30 EDEDLO CC(C)CN1CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)[C@H](C)C1=O ZINC000599379855 449931927 /nfs/dbraw/zinc/93/19/27/449931927.db2.gz VESDXOBIYXFAHG-HZPDHXFCSA-N 1 2 337.464 1.246 20 30 EDEDLO C[N@H+](CC(=O)N1CCC(C(=O)N2CCCC2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602975417 449976847 /nfs/dbraw/zinc/97/68/47/449976847.db2.gz ARBUFGGXEAWHLI-IRXDYDNUSA-N 1 2 346.475 1.471 20 30 EDEDLO C[N@@H+](CC(=O)N1CCC(C(=O)N2CCCC2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602975417 449976849 /nfs/dbraw/zinc/97/68/49/449976849.db2.gz ARBUFGGXEAWHLI-IRXDYDNUSA-N 1 2 346.475 1.471 20 30 EDEDLO Cc1nnc2n1C[C@@H](CNc1[nH+]cnc3c1cnn3CCC#N)CC2 ZINC000609257413 449983075 /nfs/dbraw/zinc/98/30/75/449983075.db2.gz VSIPAKMAPFMQNJ-GFCCVEGCSA-N 1 2 337.391 1.314 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000602987848 449984135 /nfs/dbraw/zinc/98/41/35/449984135.db2.gz SXYRSYCIOQRUGM-UONOGXRCSA-N 1 2 341.333 1.277 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000602987848 449984140 /nfs/dbraw/zinc/98/41/40/449984140.db2.gz SXYRSYCIOQRUGM-UONOGXRCSA-N 1 2 341.333 1.277 20 30 EDEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC1(C#N)CCCCC1 ZINC000597397048 449995033 /nfs/dbraw/zinc/99/50/33/449995033.db2.gz OEOYGRPDHBBSIN-UHFFFAOYSA-N 1 2 331.420 1.322 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000609538321 450046442 /nfs/dbraw/zinc/04/64/42/450046442.db2.gz QFJQMBMTSIDJJW-YJBOKZPZSA-N 1 2 332.492 1.942 20 30 EDEDLO N#C[C@H]1CCC[C@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000613146265 450048765 /nfs/dbraw/zinc/04/87/65/450048765.db2.gz LTBAGBYPGDQTNC-UKRRQHHQSA-N 1 2 332.408 1.029 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(CCC#N)c2ccccc2)nn1 ZINC000603164723 450104425 /nfs/dbraw/zinc/10/44/25/450104425.db2.gz FSNPCHRVXXLQLQ-UHFFFAOYSA-N 1 2 336.399 1.338 20 30 EDEDLO N#Cc1c(F)cccc1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000597622622 450152770 /nfs/dbraw/zinc/15/27/70/450152770.db2.gz XVMYAOWEQODLQY-UHFFFAOYSA-N 1 2 343.362 1.996 20 30 EDEDLO Cc1nc(NCc2cccc(C(=O)N3CC[C@](F)(C#N)C3)c2)cc[nH+]1 ZINC000615826340 450253699 /nfs/dbraw/zinc/25/36/99/450253699.db2.gz RVPCUHHSSKJQGS-SFHVURJKSA-N 1 2 339.374 2.475 20 30 EDEDLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1)n1cnc(C#N)n1 ZINC000619777488 450332025 /nfs/dbraw/zinc/33/20/25/450332025.db2.gz BXOKGKDRTPBXNY-FZMZJTMJSA-N 1 2 344.806 1.537 20 30 EDEDLO N#C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000619784611 450333402 /nfs/dbraw/zinc/33/34/02/450333402.db2.gz FIQPHIFWMYKBTM-MRXNPFEDSA-N 1 2 332.835 1.801 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(N(C)C)nc3)CC2)c1C#N ZINC000615968148 450286499 /nfs/dbraw/zinc/28/64/99/450286499.db2.gz GOZVTUKFERXFRX-UHFFFAOYSA-N 1 2 339.447 1.383 20 30 EDEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000619717344 450318504 /nfs/dbraw/zinc/31/85/04/450318504.db2.gz BJMVEFBRGOQBBE-INIZCTEOSA-N 1 2 337.464 1.123 20 30 EDEDLO CC1(C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000619516457 450498137 /nfs/dbraw/zinc/49/81/37/450498137.db2.gz LIBUMZFPRLRQML-QAPCUYQASA-N 1 2 329.400 1.355 20 30 EDEDLO CC1(C)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000619516457 450498138 /nfs/dbraw/zinc/49/81/38/450498138.db2.gz LIBUMZFPRLRQML-QAPCUYQASA-N 1 2 329.400 1.355 20 30 EDEDLO C=C(C)C[C@@H]1NC(=O)N(c2ccc(N3CCOCC3)[nH+]c2C)C1=O ZINC000630517404 451229385 /nfs/dbraw/zinc/22/93/85/451229385.db2.gz VIWDSEPSFXAUKK-ZDUSSCGKSA-N 1 2 330.388 1.618 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000636605981 451344930 /nfs/dbraw/zinc/34/49/30/451344930.db2.gz FVFPABYKVXJIKR-UHFFFAOYSA-N 1 2 349.500 1.941 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000636605981 451344935 /nfs/dbraw/zinc/34/49/35/451344935.db2.gz FVFPABYKVXJIKR-UHFFFAOYSA-N 1 2 349.500 1.941 20 30 EDEDLO C=C(C)C[C@@H]1NC(=O)N(C[C@]2([NH+]3CCOCC3)CCSC2)C1=O ZINC000630973303 451518030 /nfs/dbraw/zinc/51/80/30/451518030.db2.gz ZFPSMTNVCQDRDF-XJKSGUPXSA-N 1 2 339.461 1.081 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](C)c2ccccc2OC)nn1 ZINC000640856722 451642326 /nfs/dbraw/zinc/64/23/26/451642326.db2.gz ZUTHQEZWNFOMER-CQSZACIVSA-N 1 2 341.415 1.277 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](C)c2ccccc2OC)nn1 ZINC000640856721 451642491 /nfs/dbraw/zinc/64/24/91/451642491.db2.gz ZUTHQEZWNFOMER-AWEZNQCLSA-N 1 2 341.415 1.277 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCc2ccccc2F)nn1 ZINC000640914694 451689015 /nfs/dbraw/zinc/68/90/15/451689015.db2.gz ZBLZSVRSYYQLTO-ZDUSSCGKSA-N 1 2 329.379 1.408 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N(C)Cc2ccccc2C)nn1 ZINC000640923098 451692319 /nfs/dbraw/zinc/69/23/19/451692319.db2.gz DRFWHZCDULCTBZ-MRXNPFEDSA-N 1 2 339.443 1.919 20 30 EDEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000649229416 451920219 /nfs/dbraw/zinc/92/02/19/451920219.db2.gz ALKYVQSJBWBJDE-HNNXBMFYSA-N 1 2 334.416 1.399 20 30 EDEDLO C=CCCn1cc(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)nn1 ZINC000653577934 452023841 /nfs/dbraw/zinc/02/38/41/452023841.db2.gz NHBWZRQISCNEJE-CYBMUJFWSA-N 1 2 349.460 1.695 20 30 EDEDLO C=CCCn1cc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)nn1 ZINC000653577934 452023847 /nfs/dbraw/zinc/02/38/47/452023847.db2.gz NHBWZRQISCNEJE-CYBMUJFWSA-N 1 2 349.460 1.695 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000652013663 452224005 /nfs/dbraw/zinc/22/40/05/452224005.db2.gz MEDZMLOSMRGRSR-GOSISDBHSA-N 1 2 345.447 1.874 20 30 EDEDLO C=CCN(CC=C)C(=O)CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000640110720 452436196 /nfs/dbraw/zinc/43/61/96/452436196.db2.gz TUBIZXIGMVZHPD-UHFFFAOYSA-N 1 2 329.444 1.710 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000640110720 452436201 /nfs/dbraw/zinc/43/62/01/452436201.db2.gz TUBIZXIGMVZHPD-UHFFFAOYSA-N 1 2 329.444 1.710 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662300161 453019862 /nfs/dbraw/zinc/01/98/62/453019862.db2.gz PUGJEWVJFCDVCO-AWEZNQCLSA-N 1 2 327.428 1.733 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662300161 453019871 /nfs/dbraw/zinc/01/98/71/453019871.db2.gz PUGJEWVJFCDVCO-AWEZNQCLSA-N 1 2 327.428 1.733 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)nn1 ZINC000657334734 453767779 /nfs/dbraw/zinc/76/77/79/453767779.db2.gz FVOFVTVIPPTZIN-QGZVFWFLSA-N 1 2 325.416 1.745 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2ccccc2CS(C)(=O)=O)nn1 ZINC000657387604 453779495 /nfs/dbraw/zinc/77/94/95/453779495.db2.gz XUDMUSVPJMZVSF-UHFFFAOYSA-N 1 2 334.445 1.689 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000684793040 487162241 /nfs/dbraw/zinc/16/22/41/487162241.db2.gz RPFRARUKPTYJFU-FPCVCCKLSA-N 1 2 325.453 1.376 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)c1C ZINC000284317849 486241557 /nfs/dbraw/zinc/24/15/57/486241557.db2.gz AVXYOHFDBYAKPP-IEBWSBKVSA-N 1 2 331.460 1.879 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H]3OCCN(C)[C@@H]3C2)c1C ZINC000284317849 486241562 /nfs/dbraw/zinc/24/15/62/486241562.db2.gz AVXYOHFDBYAKPP-IEBWSBKVSA-N 1 2 331.460 1.879 20 30 EDEDLO C=CCn1c(CC(C)(C)C)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000669813962 486461257 /nfs/dbraw/zinc/46/12/57/486461257.db2.gz DBMKXCWYLQWTHC-UHFFFAOYSA-N 1 2 348.495 1.263 20 30 EDEDLO CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000331681776 534664756 /nfs/dbraw/zinc/66/47/56/534664756.db2.gz PZFGGGWEYHSTGV-RDJZCZTQSA-N 1 2 326.400 1.264 20 30 EDEDLO CC(=O)N[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000331681776 534664760 /nfs/dbraw/zinc/66/47/60/534664760.db2.gz PZFGGGWEYHSTGV-RDJZCZTQSA-N 1 2 326.400 1.264 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)ccc2C)CC1 ZINC000104007923 526997339 /nfs/dbraw/zinc/99/73/39/526997339.db2.gz VUYZIKOBQQNDAY-UHFFFAOYSA-N 1 2 327.428 1.201 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)ccc2C)CC1 ZINC000104007923 526997343 /nfs/dbraw/zinc/99/73/43/526997343.db2.gz VUYZIKOBQQNDAY-UHFFFAOYSA-N 1 2 327.428 1.201 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000182821841 527091976 /nfs/dbraw/zinc/09/19/76/527091976.db2.gz GJYFNLXKTHLYJA-KRWDZBQOSA-N 1 2 333.432 1.255 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000182863575 527196831 /nfs/dbraw/zinc/19/68/31/527196831.db2.gz ZNROIXDCEIZYKK-SJORKVTESA-N 1 2 333.432 1.296 20 30 EDEDLO C=CCC[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000190157414 527422267 /nfs/dbraw/zinc/42/22/67/527422267.db2.gz NVCDHRDDCGPWGN-RBUKOAKNSA-N 1 2 346.471 1.888 20 30 EDEDLO C=CCC[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000190157428 527422944 /nfs/dbraw/zinc/42/29/44/527422944.db2.gz NVCDHRDDCGPWGN-RTBURBONSA-N 1 2 346.471 1.888 20 30 EDEDLO CC(C)CCc1nc(CO[NH+]=C(N)CN2CCOCC2)cs1 ZINC000177595498 527871503 /nfs/dbraw/zinc/87/15/03/527871503.db2.gz WAAIRVNZQNAOOH-UHFFFAOYSA-N 1 2 326.466 1.853 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000125281178 528621535 /nfs/dbraw/zinc/62/15/35/528621535.db2.gz FRBFJNOVWDGCCF-INIZCTEOSA-N 1 2 329.448 1.207 20 30 EDEDLO COc1cccc(C(N)=[NH+]OCC(=O)NCc2cccc(C#N)c2)c1 ZINC000742364430 579449977 /nfs/dbraw/zinc/44/99/77/579449977.db2.gz DQMHRTUDRTUSJB-UHFFFAOYSA-N 1 2 338.367 1.730 20 30 EDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000743854620 579492419 /nfs/dbraw/zinc/49/24/19/579492419.db2.gz FUPGDDDTLNUKIL-UHFFFAOYSA-N 1 2 343.858 1.947 20 30 EDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000743854620 579492420 /nfs/dbraw/zinc/49/24/20/579492420.db2.gz FUPGDDDTLNUKIL-UHFFFAOYSA-N 1 2 343.858 1.947 20 30 EDEDLO Cc1noc(C)c1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725791936 578282036 /nfs/dbraw/zinc/28/20/36/578282036.db2.gz AKDBEDDRWMZZND-UHFFFAOYSA-N 1 2 344.415 1.961 20 30 EDEDLO Cc1cccc2c1CCC2=NNC(=S)NCC[NH+]1CCOCC1 ZINC000729140419 578559724 /nfs/dbraw/zinc/55/97/24/578559724.db2.gz GJXBZYQRUXBJAP-UHFFFAOYSA-N 1 2 332.473 1.442 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000730104151 578614772 /nfs/dbraw/zinc/61/47/72/578614772.db2.gz JBOCYWJHUSIRGV-LBPRGKRZSA-N 1 2 339.317 1.256 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000730104151 578614774 /nfs/dbraw/zinc/61/47/74/578614774.db2.gz JBOCYWJHUSIRGV-LBPRGKRZSA-N 1 2 339.317 1.256 20 30 EDEDLO C#CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000731213058 578671004 /nfs/dbraw/zinc/67/10/04/578671004.db2.gz TWQRXMJPDDZZPR-MRXNPFEDSA-N 1 2 332.425 1.449 20 30 EDEDLO C#CC[N@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000731213058 578671005 /nfs/dbraw/zinc/67/10/05/578671005.db2.gz TWQRXMJPDDZZPR-MRXNPFEDSA-N 1 2 332.425 1.449 20 30 EDEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]OC[C@H]1CCOC1 ZINC000788034359 578673907 /nfs/dbraw/zinc/67/39/07/578673907.db2.gz PZAJUNAELRJIOH-LBPRGKRZSA-N 1 2 326.356 1.871 20 30 EDEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000735426780 578883558 /nfs/dbraw/zinc/88/35/58/578883558.db2.gz WPQOVYJRVUONLG-AWEZNQCLSA-N 1 2 333.417 1.042 20 30 EDEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000735426780 578883559 /nfs/dbraw/zinc/88/35/59/578883559.db2.gz WPQOVYJRVUONLG-AWEZNQCLSA-N 1 2 333.417 1.042 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000739916462 579267745 /nfs/dbraw/zinc/26/77/45/579267745.db2.gz YEIJIUNSLYZEQA-NVXWUHKLSA-N 1 2 339.399 1.776 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000739916462 579267746 /nfs/dbraw/zinc/26/77/46/579267746.db2.gz YEIJIUNSLYZEQA-NVXWUHKLSA-N 1 2 339.399 1.776 20 30 EDEDLO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000748453748 579686923 /nfs/dbraw/zinc/68/69/23/579686923.db2.gz AQDNECYFGLZOQR-WFASDCNBSA-N 1 2 331.372 1.149 20 30 EDEDLO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000748453748 579686924 /nfs/dbraw/zinc/68/69/24/579686924.db2.gz AQDNECYFGLZOQR-WFASDCNBSA-N 1 2 331.372 1.149 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(OCC)cc2C)CC1 ZINC000749257520 579719491 /nfs/dbraw/zinc/71/94/91/579719491.db2.gz XSIGNNRYTYXENE-UHFFFAOYSA-N 1 2 336.457 1.723 20 30 EDEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000750217153 579756117 /nfs/dbraw/zinc/75/61/17/579756117.db2.gz MNJFOVCNLXNUQU-ZDUSSCGKSA-N 1 2 343.836 1.366 20 30 EDEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000750217153 579756118 /nfs/dbraw/zinc/75/61/18/579756118.db2.gz MNJFOVCNLXNUQU-ZDUSSCGKSA-N 1 2 343.836 1.366 20 30 EDEDLO N#C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCN1C1CC1 ZINC000753128140 579873178 /nfs/dbraw/zinc/87/31/78/579873178.db2.gz RJHFKTHNEFLZMZ-GOEBONIOSA-N 1 2 340.431 1.042 20 30 EDEDLO NC(=[NH+]OCc1nc(CC(F)(F)F)no1)c1ccc2c(c1)CCO2 ZINC000753822630 579888704 /nfs/dbraw/zinc/88/87/04/579888704.db2.gz YIYGDELCWLWDMM-UHFFFAOYSA-N 1 2 342.277 1.946 20 30 EDEDLO Cc1nc(NCc2cccc(C(=O)OCC(=O)NCC#N)c2)cc[nH+]1 ZINC000754949832 579916770 /nfs/dbraw/zinc/91/67/70/579916770.db2.gz FVVAESLUJWMHJQ-UHFFFAOYSA-N 1 2 339.355 1.194 20 30 EDEDLO COc1ccc([C@]2(C)NC(=O)N(N=Cc3[nH+]c[nH]c3C)C2=O)cc1 ZINC000755554842 579929493 /nfs/dbraw/zinc/92/94/93/579929493.db2.gz MYVHAXIRCLQRQH-INIZCTEOSA-N 1 2 327.344 1.528 20 30 EDEDLO CCN(CC)S(=O)(=O)c1ccc(N=NCc2c[nH+]cn2C)nc1 ZINC000755562978 579929685 /nfs/dbraw/zinc/92/96/85/579929685.db2.gz KOWDTYWBFUWSJO-UHFFFAOYSA-N 1 2 336.421 1.292 20 30 EDEDLO CC(C)S(=O)(=O)NN=Cc1c(-n2cc[nH+]c2)nc2ccccn12 ZINC000755678730 579932383 /nfs/dbraw/zinc/93/23/83/579932383.db2.gz LPHVFCJZXZLWFX-UHFFFAOYSA-N 1 2 332.389 1.182 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000766666538 580171493 /nfs/dbraw/zinc/17/14/93/580171493.db2.gz UWXMCVFVJUDTAG-YJYMSZOUSA-N 1 2 325.412 1.853 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000766666538 580171494 /nfs/dbraw/zinc/17/14/94/580171494.db2.gz UWXMCVFVJUDTAG-YJYMSZOUSA-N 1 2 325.412 1.853 20 30 EDEDLO C[N@H+](CC(=O)OCC(=O)NCc1cccc(C#N)c1)[C@@H]1CCSC1 ZINC000767115290 580181956 /nfs/dbraw/zinc/18/19/56/580181956.db2.gz HOJBZVOUGHHHCU-OAHLLOKOSA-N 1 2 347.440 1.155 20 30 EDEDLO C[N@@H+](CC(=O)OCC(=O)NCc1cccc(C#N)c1)[C@@H]1CCSC1 ZINC000767115290 580181957 /nfs/dbraw/zinc/18/19/57/580181957.db2.gz HOJBZVOUGHHHCU-OAHLLOKOSA-N 1 2 347.440 1.155 20 30 EDEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)c3cccn3C)CC2)cc1 ZINC000768218916 580209211 /nfs/dbraw/zinc/20/92/11/580209211.db2.gz BIVYDLKEWKGZIB-UHFFFAOYSA-N 1 2 337.423 1.995 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000772112879 580303523 /nfs/dbraw/zinc/30/35/23/580303523.db2.gz BOJSQLCNPMRLEW-UHFFFAOYSA-N 1 2 342.395 1.716 20 30 EDEDLO Cc1ccc(COC(=O)CCNC(=O)C2N=CC=CC2=O)c(C)[nH+]1 ZINC000772141285 580304119 /nfs/dbraw/zinc/30/41/19/580304119.db2.gz GFDUMHUJNSPXDF-MSUUIHNZSA-N 1 2 329.356 1.658 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CCCO1 ZINC000773271918 580332263 /nfs/dbraw/zinc/33/22/63/580332263.db2.gz FMXHDLQDPAMSBS-GHMZBOCLSA-N 1 2 330.310 1.425 20 30 EDEDLO Cn1ccc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000778592781 580468179 /nfs/dbraw/zinc/46/81/79/580468179.db2.gz REOAALHIXHQXNS-UHFFFAOYSA-N 1 2 329.404 1.089 20 30 EDEDLO COc1[nH+]c(N)nc(N2CCCC2)c1CN=Nc1ncncc1Cl ZINC000780279456 580517414 /nfs/dbraw/zinc/51/74/14/580517414.db2.gz DTRWXKZGFUYOBH-UHFFFAOYSA-N 1 2 348.798 1.557 20 30 EDEDLO C[C@H](C=NNC(=S)NCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000783797444 580606634 /nfs/dbraw/zinc/60/66/34/580606634.db2.gz UXMPCPXZAXIVSX-HNNXBMFYSA-N 1 2 334.489 1.647 20 30 EDEDLO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000787611629 580699353 /nfs/dbraw/zinc/69/93/53/580699353.db2.gz XLYORJQJPVJXPN-CQSZACIVSA-N 1 2 325.372 1.773 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)Nc1cc(Br)cnc1C#N ZINC000787896959 580708525 /nfs/dbraw/zinc/70/85/25/580708525.db2.gz FRAGTRIVQZRMHK-SNVBAGLBSA-N 1 2 325.210 1.848 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cc(C#N)ccc1F ZINC000789039806 580735434 /nfs/dbraw/zinc/73/54/34/580735434.db2.gz PROOUYSNZXQKCK-ZDUSSCGKSA-N 1 2 334.395 1.559 20 30 EDEDLO C=CC[C@@H](NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccncc1 ZINC000789752612 580752685 /nfs/dbraw/zinc/75/26/85/580752685.db2.gz JRMBHRUYAWZINS-DZGCQCFKSA-N 1 2 327.388 1.216 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(OC)c2O)n1 ZINC000789761195 580752906 /nfs/dbraw/zinc/75/29/06/580752906.db2.gz XFSQIIPCONQWEW-UHFFFAOYSA-N 1 2 329.400 1.879 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(OC)c2O)n1 ZINC000789761195 580752907 /nfs/dbraw/zinc/75/29/07/580752907.db2.gz XFSQIIPCONQWEW-UHFFFAOYSA-N 1 2 329.400 1.879 20 30 EDEDLO CC(C)[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589507 580848469 /nfs/dbraw/zinc/84/84/69/580848469.db2.gz HLXJWHMBPDTORL-CVEARBPZSA-N 1 2 328.416 1.868 20 30 EDEDLO CC(C)[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589507 580848470 /nfs/dbraw/zinc/84/84/70/580848470.db2.gz HLXJWHMBPDTORL-CVEARBPZSA-N 1 2 328.416 1.868 20 30 EDEDLO C=CCN(C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1)C(C)C ZINC000793717367 580853481 /nfs/dbraw/zinc/85/34/81/580853481.db2.gz JNORKJQACZWGQN-UHFFFAOYSA-N 1 2 326.400 1.912 20 30 EDEDLO C[C@@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C[C@]2(CCOC2)O1 ZINC000794704578 580903653 /nfs/dbraw/zinc/90/36/53/580903653.db2.gz NASNUCNTZIGXAL-ACJLOTCBSA-N 1 2 329.400 1.046 20 30 EDEDLO C[C@@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C[C@]2(CCOC2)O1 ZINC000794704578 580903654 /nfs/dbraw/zinc/90/36/54/580903654.db2.gz NASNUCNTZIGXAL-ACJLOTCBSA-N 1 2 329.400 1.046 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000795045245 580911222 /nfs/dbraw/zinc/91/12/22/580911222.db2.gz WZPYGOXRBSDABM-KRWDZBQOSA-N 1 2 327.363 1.343 20 30 EDEDLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](CCO[C@@H](C)C#N)CC2)c1 ZINC000801922512 581088137 /nfs/dbraw/zinc/08/81/37/581088137.db2.gz KFHCHHJXSSFEQM-IRXDYDNUSA-N 1 2 345.443 1.835 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000801930292 581088400 /nfs/dbraw/zinc/08/84/00/581088400.db2.gz LKCPTQGSGBINCV-OAHLLOKOSA-N 1 2 341.415 1.783 20 30 EDEDLO COC(=O)C[N@H+](CCO[C@@H](C)C#N)Cc1cc(Cl)ccc1O ZINC000801932672 581088501 /nfs/dbraw/zinc/08/85/01/581088501.db2.gz UHWMPYZRYOXFDG-NSHDSACASA-N 1 2 326.780 1.949 20 30 EDEDLO COC(=O)C[N@@H+](CCO[C@@H](C)C#N)Cc1cc(Cl)ccc1O ZINC000801932672 581088502 /nfs/dbraw/zinc/08/85/02/581088502.db2.gz UHWMPYZRYOXFDG-NSHDSACASA-N 1 2 326.780 1.949 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc4n3CCOC4)CC2)c(F)c1 ZINC000891825716 590639838 /nfs/dbraw/zinc/63/98/38/590639838.db2.gz KHMJFNAAVANKIY-UHFFFAOYSA-N 1 2 341.390 1.746 20 30 EDEDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000892014201 590745410 /nfs/dbraw/zinc/74/54/10/590745410.db2.gz OIGFEJKJZBQNMQ-UHFFFAOYSA-N 1 2 327.475 1.866 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CSC)cc2)C1 ZINC000891606610 591147197 /nfs/dbraw/zinc/14/71/97/591147197.db2.gz NWEGUXQRIXWCPZ-INIZCTEOSA-N 1 2 345.468 1.702 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(CSC)cc2)C1 ZINC000891606610 591147199 /nfs/dbraw/zinc/14/71/99/591147199.db2.gz NWEGUXQRIXWCPZ-INIZCTEOSA-N 1 2 345.468 1.702 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000894124285 591202023 /nfs/dbraw/zinc/20/20/23/591202023.db2.gz HYSHGFJBXJUNNJ-UHFFFAOYSA-N 1 2 336.417 1.043 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1cc(C#N)cs1 ZINC000892868765 591209206 /nfs/dbraw/zinc/20/92/06/591209206.db2.gz IRSASRJOBNYCGJ-ZDUSSCGKSA-N 1 2 335.477 1.397 20 30 EDEDLO N#C[C@@]12CN(c3cc[nH+]c4c(O)cccc34)C[C@@H]1CS(=O)(=O)C2 ZINC000896403413 591455087 /nfs/dbraw/zinc/45/50/87/591455087.db2.gz DZAWEFDPWQKJNU-BZNIZROVSA-N 1 2 329.381 1.315 20 30 EDEDLO CC(C)Cn1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000896623197 591556949 /nfs/dbraw/zinc/55/69/49/591556949.db2.gz APYZLWDNOFLOFG-UHFFFAOYSA-N 1 2 333.436 1.227 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NC[C@H]([NH3+])C3CC3)cc2[nH]c1=S ZINC000137457824 591634737 /nfs/dbraw/zinc/63/47/37/591634737.db2.gz ZUDJDRUSNAJURI-ZDUSSCGKSA-N 1 2 344.440 1.338 20 30 EDEDLO C#CCNC(=O)c1ccccc1NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900403171 592009043 /nfs/dbraw/zinc/00/90/43/592009043.db2.gz WQPHURXFOBJQHU-FYWRMAATSA-N 1 2 341.411 1.267 20 30 EDEDLO O=C1[C@H](C2CC2)[C@H](C2CC2)N1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902609186 592024880 /nfs/dbraw/zinc/02/48/80/592024880.db2.gz NWVOINPJYKYRKB-SJORKVTESA-N 1 2 330.428 1.929 20 30 EDEDLO N#Cc1ccccc1C(F)(F)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000900603969 592066980 /nfs/dbraw/zinc/06/69/80/592066980.db2.gz ZPAJEOPLPKFZTG-JKSUJKDBSA-N 1 2 349.381 1.708 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@](C)(O)C(F)(F)C(F)(F)F)nn1 ZINC000900621691 592073751 /nfs/dbraw/zinc/07/37/51/592073751.db2.gz KLYVDHHBTBQGLI-JTQLQIEISA-N 1 2 326.269 1.340 20 30 EDEDLO C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000903205900 592137249 /nfs/dbraw/zinc/13/72/49/592137249.db2.gz ASDAZEZBPTZUOK-TXEJJXNPSA-N 1 2 325.821 1.679 20 30 EDEDLO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000903205900 592137250 /nfs/dbraw/zinc/13/72/50/592137250.db2.gz ASDAZEZBPTZUOK-TXEJJXNPSA-N 1 2 325.821 1.679 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000900846253 592145654 /nfs/dbraw/zinc/14/56/54/592145654.db2.gz YEQDYKFYPJSCNT-LXXRFIIISA-N 1 2 342.439 1.915 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1 ZINC000906674646 592256083 /nfs/dbraw/zinc/25/60/83/592256083.db2.gz CWOLOABLKJUDSC-ARFHVFGLSA-N 1 2 347.459 1.267 20 30 EDEDLO Cn1nc2c(c1C(=O)N1CC[NH+](Cc3ccc(C#N)cc3)CC1)CCC2 ZINC000905247961 592476075 /nfs/dbraw/zinc/47/60/75/592476075.db2.gz BIFCBIAAXWQFLH-UHFFFAOYSA-N 1 2 349.438 1.738 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1nccc2c1CCCC2 ZINC000905421492 592525821 /nfs/dbraw/zinc/52/58/21/592525821.db2.gz CNBLFIHDLFCTSU-UHFFFAOYSA-N 1 2 347.488 1.091 20 30 EDEDLO C=CCn1c([C@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N(C)Cc1ccns1 ZINC000908695862 592574982 /nfs/dbraw/zinc/57/49/82/592574982.db2.gz VGWGQCPOLDMFSN-GXTWGEPZSA-N 1 2 348.476 1.949 20 30 EDEDLO C=CCn1c([C@H]2C[N@H+](C)C[C@H](C)O2)nnc1N(C)Cc1ccns1 ZINC000908695862 592574985 /nfs/dbraw/zinc/57/49/85/592574985.db2.gz VGWGQCPOLDMFSN-GXTWGEPZSA-N 1 2 348.476 1.949 20 30 EDEDLO C=CC[C@H]([NH2+]C[C@H]1CC(=O)N(CC)[C@@H]1c1ccncc1)C(=O)OC ZINC000905775354 592635738 /nfs/dbraw/zinc/63/57/38/592635738.db2.gz VOWNDGVSMUVCCJ-HLLBOEOZSA-N 1 2 331.416 1.698 20 30 EDEDLO N#CCOc1cccc(OC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC000905946470 592696165 /nfs/dbraw/zinc/69/61/65/592696165.db2.gz COUJMDQGTMXDGX-SJORKVTESA-N 1 2 346.383 1.374 20 30 EDEDLO COCCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CCC[C@@H](C#N)C1 ZINC000909167605 592758913 /nfs/dbraw/zinc/75/89/13/592758913.db2.gz SDLWAQNRVZCJMD-KKUMJFAQSA-N 1 2 348.451 1.056 20 30 EDEDLO COCCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CCC[C@@H](C#N)C1 ZINC000909167605 592758917 /nfs/dbraw/zinc/75/89/17/592758917.db2.gz SDLWAQNRVZCJMD-KKUMJFAQSA-N 1 2 348.451 1.056 20 30 EDEDLO CC(C)(C)N(Cc1cccc(F)c1)C(=O)CO[NH+]=C(N)CCO ZINC000121327902 593129959 /nfs/dbraw/zinc/12/99/59/593129959.db2.gz FKWRDJLZSNIVSA-UHFFFAOYSA-N 1 2 325.384 1.624 20 30 EDEDLO C=CC[C@H](NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000805811810 593146949 /nfs/dbraw/zinc/14/69/49/593146949.db2.gz UMQLBKORDHIWMI-INIZCTEOSA-N 1 2 328.416 1.122 20 30 EDEDLO CN(C)c1c(C=[NH+]N[C@H]2CCCCC2(C)C)c(=O)n(C)c(=O)n1C ZINC000807984590 593213953 /nfs/dbraw/zinc/21/39/53/593213953.db2.gz BLQTWUJYKLMIFT-ZDUSSCGKSA-N 1 2 335.452 1.042 20 30 EDEDLO N#Cc1cccc(-n2ccc(C(=O)O[C@H]3CC[N@@H+](CCF)C3)n2)c1 ZINC000802238750 593237636 /nfs/dbraw/zinc/23/76/36/593237636.db2.gz HEZXRTRJMQPGFM-HNNXBMFYSA-N 1 2 328.347 1.945 20 30 EDEDLO N#Cc1cccc(-n2ccc(C(=O)O[C@H]3CC[N@H+](CCF)C3)n2)c1 ZINC000802238750 593237637 /nfs/dbraw/zinc/23/76/37/593237637.db2.gz HEZXRTRJMQPGFM-HNNXBMFYSA-N 1 2 328.347 1.945 20 30 EDEDLO C=CCN1CCN(C[N@@H+](Cc2ccc(C(=O)NC)cc2)C2CC2)C1=O ZINC000839959887 593240217 /nfs/dbraw/zinc/24/02/17/593240217.db2.gz NQMKPFWGOAYPIB-UHFFFAOYSA-N 1 2 342.443 1.892 20 30 EDEDLO C=CCN1CCN(C[N@H+](Cc2ccc(C(=O)NC)cc2)C2CC2)C1=O ZINC000839959887 593240219 /nfs/dbraw/zinc/24/02/19/593240219.db2.gz NQMKPFWGOAYPIB-UHFFFAOYSA-N 1 2 342.443 1.892 20 30 EDEDLO C#CCCS(=O)(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000808281631 593247586 /nfs/dbraw/zinc/24/75/86/593247586.db2.gz KDQVMEUFORKGOH-ZIAGYGMSSA-N 1 2 337.445 1.138 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)C1=O ZINC000839968021 593255008 /nfs/dbraw/zinc/25/50/08/593255008.db2.gz DBHLXIBSYNJAQZ-UHFFFAOYSA-N 1 2 348.472 1.777 20 30 EDEDLO C=CCN1CCN(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)C1=O ZINC000839968021 593255010 /nfs/dbraw/zinc/25/50/10/593255010.db2.gz DBHLXIBSYNJAQZ-UHFFFAOYSA-N 1 2 348.472 1.777 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000839170308 593270108 /nfs/dbraw/zinc/27/01/08/593270108.db2.gz LDRVKVJUVXWKFN-KUNZLEBZSA-N 1 2 330.428 1.152 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000839170308 593270110 /nfs/dbraw/zinc/27/01/10/593270110.db2.gz LDRVKVJUVXWKFN-KUNZLEBZSA-N 1 2 330.428 1.152 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2nc(C)sc2Br)CC1 ZINC000839575240 593341651 /nfs/dbraw/zinc/34/16/51/593341651.db2.gz HOPFGMCYPHVNHT-UHFFFAOYSA-N 1 2 342.262 1.995 20 30 EDEDLO N#Cc1cccn(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1=O ZINC000758231016 593397616 /nfs/dbraw/zinc/39/76/16/593397616.db2.gz NGTROWZGNCXLOC-KRWDZBQOSA-N 1 2 331.416 1.728 20 30 EDEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000758245507 593398899 /nfs/dbraw/zinc/39/88/99/593398899.db2.gz HLSNDISGQBJPHN-NPMXOYFQSA-N 1 2 345.509 1.480 20 30 EDEDLO C=CCN1CCN(C[N@@H+](C)Cc2ccc(OCC(=O)OC)cc2)C1=O ZINC000840054293 593428562 /nfs/dbraw/zinc/42/85/62/593428562.db2.gz KUXFBLXTPGSISX-UHFFFAOYSA-N 1 2 347.415 1.551 20 30 EDEDLO C=CCN1CCN(C[N@H+](C)Cc2ccc(OCC(=O)OC)cc2)C1=O ZINC000840054293 593428563 /nfs/dbraw/zinc/42/85/63/593428563.db2.gz KUXFBLXTPGSISX-UHFFFAOYSA-N 1 2 347.415 1.551 20 30 EDEDLO C=CCN(C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1)C(C)C ZINC000806537745 593456577 /nfs/dbraw/zinc/45/65/77/593456577.db2.gz VMCDJOHLVRNRGE-UHFFFAOYSA-N 1 2 328.416 1.724 20 30 EDEDLO CN(C)c1[nH+]cc(C=NNC(=S)NCc2ccc(F)cc2)n1C ZINC000811636276 593475507 /nfs/dbraw/zinc/47/55/07/593475507.db2.gz BRGORCKIXKKDLB-UHFFFAOYSA-N 1 2 334.424 1.623 20 30 EDEDLO CN(C)c1ncc(C=[NH+]NC(=S)NCc2ccc(F)cc2)n1C ZINC000811636276 593475508 /nfs/dbraw/zinc/47/55/08/593475508.db2.gz BRGORCKIXKKDLB-UHFFFAOYSA-N 1 2 334.424 1.623 20 30 EDEDLO C#C[C@H](CC)NC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000812037542 593489106 /nfs/dbraw/zinc/48/91/06/593489106.db2.gz YNNBPOLCNCMRIW-CZUORRHYSA-N 1 2 339.399 1.237 20 30 EDEDLO CCc1ccc(N2C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC2=O)cc1 ZINC000813376004 593530066 /nfs/dbraw/zinc/53/00/66/593530066.db2.gz BYQQYDLKEXAFRK-HNAYVOBHSA-N 1 2 342.443 1.562 20 30 EDEDLO CON=C(C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1csc(N)n1 ZINC000820860440 593908788 /nfs/dbraw/zinc/90/87/88/593908788.db2.gz MRHMZEOXEZOFNK-CMPLNLGQSA-N 1 2 348.432 1.382 20 30 EDEDLO C#C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C1CCOCC1 ZINC000824693481 594057702 /nfs/dbraw/zinc/05/77/02/594057702.db2.gz OPCTUYDYTPCQAU-STQMWFEESA-N 1 2 329.322 1.921 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccccc2O[C@H]2CCOC2)CC1 ZINC000825559932 594200545 /nfs/dbraw/zinc/20/05/45/594200545.db2.gz FHQRNIYTHWTWHE-KRWDZBQOSA-N 1 2 328.412 1.174 20 30 EDEDLO N#CC1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCSCC1 ZINC000825625393 594208395 /nfs/dbraw/zinc/20/83/95/594208395.db2.gz LWXLHRDZVZHJEG-UHFFFAOYSA-N 1 2 337.489 1.594 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000829991845 594309205 /nfs/dbraw/zinc/30/92/05/594309205.db2.gz ONRLANJCVMDNFS-KBPBESRZSA-N 1 2 325.206 1.833 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000829991845 594309207 /nfs/dbraw/zinc/30/92/07/594309207.db2.gz ONRLANJCVMDNFS-KBPBESRZSA-N 1 2 325.206 1.833 20 30 EDEDLO N#Cc1cnccc1COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828871358 594521397 /nfs/dbraw/zinc/52/13/97/594521397.db2.gz AIGKTEISLDFYMF-SFHVURJKSA-N 1 2 337.379 1.897 20 30 EDEDLO N#Cc1cnccc1COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828871358 594521398 /nfs/dbraw/zinc/52/13/98/594521398.db2.gz AIGKTEISLDFYMF-SFHVURJKSA-N 1 2 337.379 1.897 20 30 EDEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000832130459 594728727 /nfs/dbraw/zinc/72/87/27/594728727.db2.gz XYIVJFKZMXBYSO-GJZGRUSLSA-N 1 2 337.370 1.827 20 30 EDEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000832130459 594728728 /nfs/dbraw/zinc/72/87/28/594728728.db2.gz XYIVJFKZMXBYSO-GJZGRUSLSA-N 1 2 337.370 1.827 20 30 EDEDLO COc1cc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)ccc1C#N ZINC000832172388 594732272 /nfs/dbraw/zinc/73/22/72/594732272.db2.gz ZXRPLLJRTQPWBX-UHFFFAOYSA-N 1 2 337.383 1.628 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)c(N(C)C)[nH+]1 ZINC000832415274 594748692 /nfs/dbraw/zinc/74/86/92/594748692.db2.gz SRSWEAHWHJNUKR-UHFFFAOYSA-N 1 2 349.394 1.856 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000840764227 594815496 /nfs/dbraw/zinc/81/54/96/594815496.db2.gz PZLQRGGNPGDGPA-VIFPVBQESA-N 1 2 331.731 1.972 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000840764227 594815498 /nfs/dbraw/zinc/81/54/98/594815498.db2.gz PZLQRGGNPGDGPA-VIFPVBQESA-N 1 2 331.731 1.972 20 30 EDEDLO COCC(COC)N1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000840955168 594832574 /nfs/dbraw/zinc/83/25/74/594832574.db2.gz RPHRNFCQEWDOQF-INIZCTEOSA-N 1 2 347.459 1.756 20 30 EDEDLO C[C@H](ON=C(N)C[NH+]1CCSCC1)C(=O)N(C)C1CCCCC1 ZINC000121439848 594875079 /nfs/dbraw/zinc/87/50/79/594875079.db2.gz OEJBPFFTEAZAHR-ZDUSSCGKSA-N 1 2 342.509 1.504 20 30 EDEDLO C=C[C@@H](C)ONC(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000845637306 595036581 /nfs/dbraw/zinc/03/65/81/595036581.db2.gz YEICIEUGIBIUOY-GFCCVEGCSA-N 1 2 347.419 1.089 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000843247366 595050170 /nfs/dbraw/zinc/05/01/70/595050170.db2.gz GQOHHPJSRFGLPT-DOTOQJQBSA-N 1 2 341.411 1.323 20 30 EDEDLO CCCCCCCCCS(=O)(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000845952101 595104110 /nfs/dbraw/zinc/10/41/10/595104110.db2.gz OFZHBIQWSVSSGQ-MRXNPFEDSA-N 1 2 332.510 1.818 20 30 EDEDLO CCCCCCCCCS(=O)(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000845952101 595104114 /nfs/dbraw/zinc/10/41/14/595104114.db2.gz OFZHBIQWSVSSGQ-MRXNPFEDSA-N 1 2 332.510 1.818 20 30 EDEDLO C#CCn1cc(CNC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)cn1 ZINC000834614697 595175585 /nfs/dbraw/zinc/17/55/85/595175585.db2.gz NOJXJXUQWWUSGW-GFCCVEGCSA-N 1 2 339.321 1.602 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000844006328 595240555 /nfs/dbraw/zinc/24/05/55/595240555.db2.gz WAKNEEJXGYAIFE-MRXNPFEDSA-N 1 2 327.428 1.789 20 30 EDEDLO Cc1ccc(N[NH+]=Cc2c(=O)n(C)c(=O)n(C)c2N(C)C)c(Cl)c1 ZINC000835011150 595245965 /nfs/dbraw/zinc/24/59/65/595245965.db2.gz GGWGWTINSKUHSM-UHFFFAOYSA-N 1 2 349.822 1.558 20 30 EDEDLO N#Cc1cccc([C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CCO2)c1 ZINC000844136592 595283221 /nfs/dbraw/zinc/28/32/21/595283221.db2.gz GTHLVWOYMGBGSR-FUHWJXTLSA-N 1 2 336.395 1.917 20 30 EDEDLO C[NH+](C)[C@H](C(=O)N[C@H]1CCCN(O)C1=O)c1ccc(Cl)cc1 ZINC000848131159 595323733 /nfs/dbraw/zinc/32/37/33/595323733.db2.gz ZNZJABRYSPCQMV-STQMWFEESA-N 1 2 325.796 1.439 20 30 EDEDLO C[NH+](C)[C@H](C(=O)N[C@H]1CCCN(O)C1=O)c1cccc(Cl)c1 ZINC000848138170 595326478 /nfs/dbraw/zinc/32/64/78/595326478.db2.gz JYWLMCWXDDRARD-STQMWFEESA-N 1 2 325.796 1.439 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000844528742 595355642 /nfs/dbraw/zinc/35/56/42/595355642.db2.gz YGWSWCFHGKLRLL-ZDUSSCGKSA-N 1 2 326.303 1.647 20 30 EDEDLO CCc1cccc(C=NNC(=S)NCC[NH+]2CCOCC2)c1O ZINC000848400126 595374022 /nfs/dbraw/zinc/37/40/22/595374022.db2.gz DELZMRMYEAWXDW-UHFFFAOYSA-N 1 2 336.461 1.085 20 30 EDEDLO Cc1cc2c(c(C)c1)C(=NNC(=S)NCC[NH+]1CCOCC1)CC2 ZINC000848401357 595374273 /nfs/dbraw/zinc/37/42/73/595374273.db2.gz YUULVSQGJVWFHT-UHFFFAOYSA-N 1 2 346.500 1.750 20 30 EDEDLO Cc1c2c(ccc1Br)C(=NNC1=[NH+]C[C@@H](C)N1)C(=O)N2 ZINC000848407901 595374703 /nfs/dbraw/zinc/37/47/03/595374703.db2.gz DLOHHKHEUXTQKO-ZCFIWIBFSA-N 1 2 336.193 1.351 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](Cn2nc(CCC(N)=O)n(CC(C)C)c2=S)C1 ZINC000848493705 595395374 /nfs/dbraw/zinc/39/53/74/595395374.db2.gz PWUCOIONQJVBMR-AWEZNQCLSA-N 1 2 349.504 1.791 20 30 EDEDLO C#C[C@H]1CCC[N@H+](Cn2nc(CCC(N)=O)n(CC(C)C)c2=S)C1 ZINC000848493705 595395375 /nfs/dbraw/zinc/39/53/75/595395375.db2.gz PWUCOIONQJVBMR-AWEZNQCLSA-N 1 2 349.504 1.791 20 30 EDEDLO C#C[C@@H]1CCC[N@@H+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1 ZINC000848492891 595395728 /nfs/dbraw/zinc/39/57/28/595395728.db2.gz HNBKPFYFQQXOMJ-CQSZACIVSA-N 1 2 347.488 1.888 20 30 EDEDLO C#C[C@@H]1CCC[N@H+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1 ZINC000848492891 595395729 /nfs/dbraw/zinc/39/57/29/595395729.db2.gz HNBKPFYFQQXOMJ-CQSZACIVSA-N 1 2 347.488 1.888 20 30 EDEDLO CCc1ccc(/N=C2\NC(=O)[C@H](CC(=O)NCC[NH+](C)C)S2)cc1 ZINC000106898563 595433479 /nfs/dbraw/zinc/43/34/79/595433479.db2.gz PMUAMQOJJBNMOL-AWEZNQCLSA-N 1 2 348.472 1.536 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(CC)nn(C)c2Cl)CC1 ZINC000105870339 595481767 /nfs/dbraw/zinc/48/17/67/595481767.db2.gz RHTBCXWVYJYHKW-UHFFFAOYSA-N 1 2 339.871 1.056 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000860078031 595568262 /nfs/dbraw/zinc/56/82/62/595568262.db2.gz YIECZRNRHVGNDN-CQSZACIVSA-N 1 2 342.447 1.422 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000108902878 595663360 /nfs/dbraw/zinc/66/33/60/595663360.db2.gz ZEHJJCPZQAJTBE-GOSISDBHSA-N 1 2 339.439 1.316 20 30 EDEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@](C)(COC)C1=O ZINC000113240809 595674445 /nfs/dbraw/zinc/67/44/45/595674445.db2.gz GPZSDUIGOXPUJH-GOSISDBHSA-N 1 2 344.415 1.685 20 30 EDEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@](C)(COC)C1=O ZINC000113240809 595674449 /nfs/dbraw/zinc/67/44/49/595674449.db2.gz GPZSDUIGOXPUJH-GOSISDBHSA-N 1 2 344.415 1.685 20 30 EDEDLO Cc1ccc2c(c1Br)NC(=O)C2=NNC1=[NH+]C[C@@H](C)N1 ZINC000853330634 595736995 /nfs/dbraw/zinc/73/69/95/595736995.db2.gz RETUVPNWLCWRBP-SSDOTTSWSA-N 1 2 336.193 1.351 20 30 EDEDLO C#CC[NH+]1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1 ZINC000858337948 595767717 /nfs/dbraw/zinc/76/77/17/595767717.db2.gz QHJAIEWBWZCRRK-UHFFFAOYSA-N 1 2 336.374 1.686 20 30 EDEDLO C#CCO[C@H](C)C(=O)OCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000861023619 595867888 /nfs/dbraw/zinc/86/78/88/595867888.db2.gz MGLTWNNZISMEOR-MRXNPFEDSA-N 1 2 344.411 1.026 20 30 EDEDLO C#C[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)C1CCOCC1 ZINC000851942593 595978974 /nfs/dbraw/zinc/97/89/74/595978974.db2.gz LRLYMTJCDRNFSJ-MRXNPFEDSA-N 1 2 326.400 1.604 20 30 EDEDLO C=CCOCCCC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856611247 596034442 /nfs/dbraw/zinc/03/44/42/596034442.db2.gz NFYJJAYFNQYJAJ-JKSUJKDBSA-N 1 2 331.416 1.346 20 30 EDEDLO N#Cc1csc(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856612294 596034656 /nfs/dbraw/zinc/03/46/56/596034656.db2.gz VPOKRJNKUBJTEN-UONOGXRCSA-N 1 2 340.408 1.610 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](N4CCOC4=O)C3)C2=O)cc1 ZINC000852436293 596161405 /nfs/dbraw/zinc/16/14/05/596161405.db2.gz XLPMGTWJDVKMAX-HOTGVXAUSA-N 1 2 340.383 1.190 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](N4CCOC4=O)C3)C2=O)cc1 ZINC000852436293 596161407 /nfs/dbraw/zinc/16/14/07/596161407.db2.gz XLPMGTWJDVKMAX-HOTGVXAUSA-N 1 2 340.383 1.190 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](N3CCOC3=O)C2)C1=O ZINC000852436675 596162140 /nfs/dbraw/zinc/16/21/40/596162140.db2.gz LOCVROBMIKXOLU-STQMWFEESA-N 1 2 346.412 1.252 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](N3CCOC3=O)C2)C1=O ZINC000852436675 596162142 /nfs/dbraw/zinc/16/21/42/596162142.db2.gz LOCVROBMIKXOLU-STQMWFEESA-N 1 2 346.412 1.252 20 30 EDEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2CC(=O)NC1(C#N)CCC1 ZINC000852529147 596190138 /nfs/dbraw/zinc/19/01/38/596190138.db2.gz PDBIAZWVZUXXOE-UHFFFAOYSA-N 1 2 348.447 1.538 20 30 EDEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2CC(=O)NC1(C#N)CCC1 ZINC000852529147 596190140 /nfs/dbraw/zinc/19/01/40/596190140.db2.gz PDBIAZWVZUXXOE-UHFFFAOYSA-N 1 2 348.447 1.538 20 30 EDEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@](C)(C#N)C1)cc2=O ZINC000852686759 596227603 /nfs/dbraw/zinc/22/76/03/596227603.db2.gz LAWGYMJVHJDSDI-MRXNPFEDSA-N 1 2 329.360 1.347 20 30 EDEDLO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@](C)(C#N)C1)cc2=O ZINC000852686759 596227605 /nfs/dbraw/zinc/22/76/05/596227605.db2.gz LAWGYMJVHJDSDI-MRXNPFEDSA-N 1 2 329.360 1.347 20 30 EDEDLO CCCCCCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000862359420 596308540 /nfs/dbraw/zinc/30/85/40/596308540.db2.gz MGYWEBIXJKDZPL-MRXNPFEDSA-N 1 2 339.480 1.254 20 30 EDEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000862456615 596331744 /nfs/dbraw/zinc/33/17/44/596331744.db2.gz PXMPOSSYHPDSNG-AWEZNQCLSA-N 1 2 349.456 1.587 20 30 EDEDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000862460509 596332821 /nfs/dbraw/zinc/33/28/21/596332821.db2.gz HDGWRJIMNCYWES-QGZVFWFLSA-N 1 2 345.447 1.166 20 30 EDEDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000862460509 596332822 /nfs/dbraw/zinc/33/28/22/596332822.db2.gz HDGWRJIMNCYWES-QGZVFWFLSA-N 1 2 345.447 1.166 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@]1(C#N)CCCOC1 ZINC000866792688 596349085 /nfs/dbraw/zinc/34/90/85/596349085.db2.gz ISDMNJQMZIHIET-QGZVFWFLSA-N 1 2 330.388 1.486 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000864800611 596362116 /nfs/dbraw/zinc/36/21/16/596362116.db2.gz AYGPUDXOAGCTIL-IHWYPQMZSA-N 1 2 343.427 1.422 20 30 EDEDLO C#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)nc1 ZINC000870991847 596431717 /nfs/dbraw/zinc/43/17/17/596431717.db2.gz MCRHYUNXSKCJDE-UHFFFAOYSA-N 1 2 338.436 1.941 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C[C@@H]1CCc2ccccc2C1 ZINC000863067267 596499612 /nfs/dbraw/zinc/49/96/12/596499612.db2.gz QGKHUJRNWLHKRS-OAHLLOKOSA-N 1 2 346.500 1.574 20 30 EDEDLO Cc1ccc([C@@H](C)C=NNC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000863067480 596499689 /nfs/dbraw/zinc/49/96/89/596499689.db2.gz ZJOMTFWCNZIVKB-HNNXBMFYSA-N 1 2 334.489 1.881 20 30 EDEDLO C#CCOc1ccc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000119270990 596502158 /nfs/dbraw/zinc/50/21/58/596502158.db2.gz XATJRSUWQHHDET-UHFFFAOYSA-N 1 2 338.411 1.390 20 30 EDEDLO C[C@H]1C[N@H+](Cn2cccc(C#N)c2=O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000863302080 596544670 /nfs/dbraw/zinc/54/46/70/596544670.db2.gz IORZMAUONJDTFX-ZFWWWQNUSA-N 1 2 331.416 1.977 20 30 EDEDLO C[C@H]1C[N@@H+](Cn2cccc(C#N)c2=O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000863302080 596544671 /nfs/dbraw/zinc/54/46/71/596544671.db2.gz IORZMAUONJDTFX-ZFWWWQNUSA-N 1 2 331.416 1.977 20 30 EDEDLO C=CCCS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000867791027 596551946 /nfs/dbraw/zinc/55/19/46/596551946.db2.gz AGHYZTZGFGGABZ-KRWDZBQOSA-N 1 2 338.473 1.691 20 30 EDEDLO C=CCCS(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000867791027 596551949 /nfs/dbraw/zinc/55/19/49/596551949.db2.gz AGHYZTZGFGGABZ-KRWDZBQOSA-N 1 2 338.473 1.691 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)cc1 ZINC000871419173 596576483 /nfs/dbraw/zinc/57/64/83/596576483.db2.gz AMTUCMMNLBSEPZ-MSOLQXFVSA-N 1 2 348.406 1.998 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@H](Cc3ccccc3)CC2=O)C1=O ZINC000872604492 596985738 /nfs/dbraw/zinc/98/57/38/596985738.db2.gz VLNWUJUPCOUQCI-QZTJIDSGSA-N 1 2 341.455 1.754 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@H](Cc3ccccc3)CC2=O)C1=O ZINC000872604492 596985739 /nfs/dbraw/zinc/98/57/39/596985739.db2.gz VLNWUJUPCOUQCI-QZTJIDSGSA-N 1 2 341.455 1.754 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3C[C@@H]4CCCCN4C3=O)C2)nc1 ZINC000872612657 596990360 /nfs/dbraw/zinc/99/03/60/596990360.db2.gz IATZSUAPEIUMKK-HOTGVXAUSA-N 1 2 341.415 1.654 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3C[C@@H]4CCCCN4C3=O)C2)nc1 ZINC000872612657 596990361 /nfs/dbraw/zinc/99/03/61/596990361.db2.gz IATZSUAPEIUMKK-HOTGVXAUSA-N 1 2 341.415 1.654 20 30 EDEDLO CC#CCN(C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000876195436 597128696 /nfs/dbraw/zinc/12/86/96/597128696.db2.gz OLACSVVFUSDXNV-GOSISDBHSA-N 1 2 329.444 1.861 20 30 EDEDLO CC#CCN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000876195436 597128697 /nfs/dbraw/zinc/12/86/97/597128697.db2.gz OLACSVVFUSDXNV-GOSISDBHSA-N 1 2 329.444 1.861 20 30 EDEDLO N#Cc1cnc(Cl)c(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000876546632 597235253 /nfs/dbraw/zinc/23/52/53/597235253.db2.gz ODHGOZIHEUSDSO-UHFFFAOYSA-N 1 2 347.850 1.347 20 30 EDEDLO C#Cc1cccc(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000878115984 597579548 /nfs/dbraw/zinc/57/95/48/597579548.db2.gz IQQNDIVWTZFDQK-UHFFFAOYSA-N 1 2 335.411 1.850 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879589511 597646718 /nfs/dbraw/zinc/64/67/18/597646718.db2.gz GTWLYQAATHXDRB-OAHLLOKOSA-N 1 2 332.423 1.540 20 30 EDEDLO C#C[C@H](NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(C)(C)C ZINC000878850547 597734101 /nfs/dbraw/zinc/73/41/01/597734101.db2.gz ZAGLSHWENKPAFH-HNNXBMFYSA-N 1 2 333.436 1.385 20 30 EDEDLO COC[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000883857827 597921795 /nfs/dbraw/zinc/92/17/95/597921795.db2.gz VSNLRVSDOWXZKN-HDICACEKSA-N 1 2 342.443 1.810 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCSc1ccc(Cl)cc1 ZINC000884059623 597982405 /nfs/dbraw/zinc/98/24/05/597982405.db2.gz YURLSUFSGIJETC-ZDUSSCGKSA-N 1 2 342.848 1.995 20 30 EDEDLO COc1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1C#N ZINC000880876235 598023303 /nfs/dbraw/zinc/02/33/03/598023303.db2.gz SBDODAVSFOERRP-UHFFFAOYSA-N 1 2 332.404 1.799 20 30 EDEDLO COc1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1C#N ZINC000880876235 598023307 /nfs/dbraw/zinc/02/33/07/598023307.db2.gz SBDODAVSFOERRP-UHFFFAOYSA-N 1 2 332.404 1.799 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000884388603 598089595 /nfs/dbraw/zinc/08/95/95/598089595.db2.gz AIAUNSJYGFAGJY-WBMJQRKESA-N 1 2 334.391 1.761 20 30 EDEDLO N#C[C@@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000914329339 695362330 /nfs/dbraw/zinc/36/23/30/695362330.db2.gz ZBSPCJQAFVHOEL-HOCLYGCPSA-N 1 2 338.477 1.139 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC000993049468 695558023 /nfs/dbraw/zinc/55/80/23/695558023.db2.gz SQCVLVXBUGYPEH-IFXJQAMLSA-N 1 2 344.459 1.861 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000993049468 695558024 /nfs/dbraw/zinc/55/80/24/695558024.db2.gz SQCVLVXBUGYPEH-IFXJQAMLSA-N 1 2 344.459 1.861 20 30 EDEDLO CN(CCO)c1ccc(C=[NH+]Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000914835497 695659005 /nfs/dbraw/zinc/65/90/05/695659005.db2.gz GHWAXDHDKTZCKF-UHFFFAOYSA-N 1 2 347.440 1.965 20 30 EDEDLO C[C@@H]1C[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CCN1CC#N ZINC000948061043 695780767 /nfs/dbraw/zinc/78/07/67/695780767.db2.gz NXTANCLITGTHPE-UKRRQHHQSA-N 1 2 332.473 1.599 20 30 EDEDLO C[C@@H]1C[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)CCN1CC#N ZINC000948061043 695780768 /nfs/dbraw/zinc/78/07/68/695780768.db2.gz NXTANCLITGTHPE-UKRRQHHQSA-N 1 2 332.473 1.599 20 30 EDEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000939911671 700032405 /nfs/dbraw/zinc/03/24/05/700032405.db2.gz WGVLPOSHSBQRQA-MRXNPFEDSA-N 1 2 330.432 1.758 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)NC1CN(CC#Cc2ccccc2Cl)C1 ZINC001031258570 696065603 /nfs/dbraw/zinc/06/56/03/696065603.db2.gz MJBWCZMESKNUJD-UHFFFAOYSA-N 1 2 342.830 1.468 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(CC#Cc2cccc(Cl)c2)C1 ZINC001031313245 696641578 /nfs/dbraw/zinc/64/15/78/696641578.db2.gz FKZSHVZTQVYPMC-UHFFFAOYSA-N 1 2 342.830 1.766 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000994572486 697164517 /nfs/dbraw/zinc/16/45/17/697164517.db2.gz TYFHOYZSNQJIAV-ZDUSSCGKSA-N 1 2 328.416 1.129 20 30 EDEDLO C#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001060719605 697182802 /nfs/dbraw/zinc/18/28/02/697182802.db2.gz JVJXXGBFZJHNNB-WKILWMFISA-N 1 2 344.459 1.557 20 30 EDEDLO C#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060720697 697188497 /nfs/dbraw/zinc/18/84/97/697188497.db2.gz SKHUQPNOCAPUBN-SHTZXODSSA-N 1 2 330.432 1.547 20 30 EDEDLO Cc1cc(=NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)[nH]n1CCC#N ZINC000444955800 697202813 /nfs/dbraw/zinc/20/28/13/697202813.db2.gz AAVGSOKIKLGQTG-AWEZNQCLSA-N 1 2 341.419 1.672 20 30 EDEDLO Cn1nccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031575864 697272407 /nfs/dbraw/zinc/27/24/07/697272407.db2.gz KKXMBPKQHLEBJP-UHFFFAOYSA-N 1 2 327.363 1.293 20 30 EDEDLO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031579254 697274805 /nfs/dbraw/zinc/27/48/05/697274805.db2.gz PPMPRCAZLJLHDR-IRXDYDNUSA-N 1 2 344.386 1.034 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cc[nH]c(=O)c3)C2)cc1F ZINC001031607809 697312728 /nfs/dbraw/zinc/31/27/28/697312728.db2.gz KMRVXZAIODWPQP-UHFFFAOYSA-N 1 2 340.358 1.660 20 30 EDEDLO Cc1nc(C[NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)sc1C ZINC001031622573 697344205 /nfs/dbraw/zinc/34/42/05/697344205.db2.gz YBSKWLNWXFBACS-UHFFFAOYSA-N 1 2 329.429 1.822 20 30 EDEDLO CCn1ccnc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031635797 697383025 /nfs/dbraw/zinc/38/30/25/697383025.db2.gz FCTDSHWDPBMMMM-UHFFFAOYSA-N 1 2 341.390 1.776 20 30 EDEDLO C#CCN(C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC000920836853 697484663 /nfs/dbraw/zinc/48/46/63/697484663.db2.gz WPYHBJPAFVPDJM-AWEZNQCLSA-N 1 2 330.436 1.540 20 30 EDEDLO C#CCN(C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)C ZINC000920836853 697484665 /nfs/dbraw/zinc/48/46/65/697484665.db2.gz WPYHBJPAFVPDJM-AWEZNQCLSA-N 1 2 330.436 1.540 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000921438007 697612960 /nfs/dbraw/zinc/61/29/60/697612960.db2.gz NWQGHLCYJHUBGP-UHFFFAOYSA-N 1 2 329.403 1.032 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000921439131 697613561 /nfs/dbraw/zinc/61/35/61/697613561.db2.gz SSQBENBESLGDLT-UHFFFAOYSA-N 1 2 330.812 1.855 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000921440165 697614190 /nfs/dbraw/zinc/61/41/90/697614190.db2.gz STBXIJVNNGCHPD-UHFFFAOYSA-N 1 2 332.347 1.480 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccon3)C[C@@H]2C)nn1 ZINC000943483407 698394321 /nfs/dbraw/zinc/39/43/21/698394321.db2.gz WSAIWOVCJNRUQI-JSGCOSHPSA-N 1 2 330.392 1.093 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccon3)C[C@@H]2C)nn1 ZINC000943483407 698394324 /nfs/dbraw/zinc/39/43/24/698394324.db2.gz WSAIWOVCJNRUQI-JSGCOSHPSA-N 1 2 330.392 1.093 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 ZINC000943548411 698493081 /nfs/dbraw/zinc/49/30/81/698493081.db2.gz NICCOVIHKGONBP-MWLCHTKSSA-N 1 2 342.241 1.164 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 ZINC000943548411 698493083 /nfs/dbraw/zinc/49/30/83/698493083.db2.gz NICCOVIHKGONBP-MWLCHTKSSA-N 1 2 342.241 1.164 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC000938698076 698519420 /nfs/dbraw/zinc/51/94/20/698519420.db2.gz JMYBVPAUPWRFDC-GJZGRUSLSA-N 1 2 330.432 1.908 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)[C@@H](C)C1 ZINC000943750411 698797662 /nfs/dbraw/zinc/79/76/62/698797662.db2.gz OCEIDUJUXQMGLQ-JQWIXIFHSA-N 1 2 339.237 1.825 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cccnn2)[C@@H](C)C1 ZINC000943750411 698797666 /nfs/dbraw/zinc/79/76/66/698797666.db2.gz OCEIDUJUXQMGLQ-JQWIXIFHSA-N 1 2 339.237 1.825 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cnc[nH]c3=O)C2)c(F)c1 ZINC001031758707 699011094 /nfs/dbraw/zinc/01/10/94/699011094.db2.gz LBEOQOVXJBXMCA-UHFFFAOYSA-N 1 2 341.346 1.055 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCN(C2C[NH+](Cc3ccccn3)C2)CC1 ZINC000941515701 701567047 /nfs/dbraw/zinc/56/70/47/701567047.db2.gz CLWTZMSSYJNMGY-UHFFFAOYSA-N 1 2 328.460 1.622 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nnn(C(C)(C)C)n3)C2)C1 ZINC000939103516 699178053 /nfs/dbraw/zinc/17/80/53/699178053.db2.gz UDESKPHHSKBZJW-KGLIPLIRSA-N 1 2 346.479 1.721 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000948199085 699237207 /nfs/dbraw/zinc/23/72/07/699237207.db2.gz DVJHOXOHBTZUHB-GOSISDBHSA-N 1 2 332.448 1.970 20 30 EDEDLO C[C@@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)CO1 ZINC001031790559 699257765 /nfs/dbraw/zinc/25/77/65/699257765.db2.gz UQWNKAUYZAJXHC-MLGOLLRUSA-N 1 2 331.391 1.670 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3cccs3)CC2)C1 ZINC000941590356 701591908 /nfs/dbraw/zinc/59/19/08/701591908.db2.gz MKARZVSUGJNQNT-MRXNPFEDSA-N 1 2 345.512 1.778 20 30 EDEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000939308397 699495686 /nfs/dbraw/zinc/49/56/86/699495686.db2.gz VLRHZUHISABSQR-AWEZNQCLSA-N 1 2 341.415 1.313 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnn(CC(C)C)c3)CC2)C1 ZINC000941617817 701597886 /nfs/dbraw/zinc/59/78/86/701597886.db2.gz IAAAGXUHXZOYMC-UHFFFAOYSA-N 1 2 343.475 1.004 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)CC2)C1 ZINC000941596483 701598205 /nfs/dbraw/zinc/59/82/05/701598205.db2.gz IIAJEPKAACDTHJ-PWRODBHTSA-N 1 2 349.478 1.424 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnn([C@@H](C)CC)c3C)CC2)C1 ZINC000941632954 701600994 /nfs/dbraw/zinc/60/09/94/701600994.db2.gz XRCLTGRRJXTXKV-HNNXBMFYSA-N 1 2 343.475 1.238 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3ccc(C)s3)CC2)C1 ZINC000941639619 701603166 /nfs/dbraw/zinc/60/31/66/701603166.db2.gz SZSHFGUFMPGKMF-HNNXBMFYSA-N 1 2 331.485 1.622 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3csnn3)C2)cn1 ZINC000939567781 699710723 /nfs/dbraw/zinc/71/07/23/699710723.db2.gz NFMDLFNQZLTQLG-XHDPSFHLSA-N 1 2 327.413 1.165 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3cc(C)ccc3C)CC2)C1 ZINC000941661664 701608479 /nfs/dbraw/zinc/60/84/79/701608479.db2.gz GOCSUAZHXGQNED-UHFFFAOYSA-N 1 2 341.455 1.144 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnc(C4CC4)s3)CC2)C1 ZINC000941643595 701609337 /nfs/dbraw/zinc/60/93/37/701609337.db2.gz WNCCPFDFBLSNQS-UHFFFAOYSA-N 1 2 330.457 1.096 20 30 EDEDLO COc1nn(C)cc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031896697 700734828 /nfs/dbraw/zinc/73/48/28/700734828.db2.gz IRAWMQQVQAJKCN-UHFFFAOYSA-N 1 2 338.411 1.142 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000940918164 700995750 /nfs/dbraw/zinc/99/57/50/700995750.db2.gz MPCFAQUYIWOIBE-DLBZAZTESA-N 1 2 348.491 1.228 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000940918164 700995751 /nfs/dbraw/zinc/99/57/51/700995751.db2.gz MPCFAQUYIWOIBE-DLBZAZTESA-N 1 2 348.491 1.228 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC000945968455 701324633 /nfs/dbraw/zinc/32/46/33/701324633.db2.gz DZZHGFRYXJOMBG-WBVHZDCISA-N 1 2 340.427 1.205 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000945968455 701324635 /nfs/dbraw/zinc/32/46/35/701324635.db2.gz DZZHGFRYXJOMBG-WBVHZDCISA-N 1 2 340.427 1.205 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000946001007 701353933 /nfs/dbraw/zinc/35/39/33/701353933.db2.gz KQPAYGOARTXTJE-HIFRSBDPSA-N 1 2 330.432 1.614 20 30 EDEDLO C[C@H]1C[C@@H]1C(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941296976 701453507 /nfs/dbraw/zinc/45/35/07/701453507.db2.gz XCKZCKYLZYAPKX-KXBFYZLASA-N 1 2 338.455 1.543 20 30 EDEDLO CC(C)C(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941316727 701461021 /nfs/dbraw/zinc/46/10/21/701461021.db2.gz SGFQXUAQDNAFJV-UHFFFAOYSA-N 1 2 326.444 1.543 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000941390444 701500653 /nfs/dbraw/zinc/50/06/53/701500653.db2.gz RAHTVJFIKQLUNW-UHFFFAOYSA-N 1 2 341.415 1.314 20 30 EDEDLO CC[C@@H](F)C[NH+]1CC(N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C1 ZINC000941383880 701509165 /nfs/dbraw/zinc/50/91/65/701509165.db2.gz MFNKHVFKHSPSGK-CQSZACIVSA-N 1 2 333.411 1.076 20 30 EDEDLO Cc1ncc(C[NH+]2CC(N3CCN(C(=O)C#CC4CC4)CC3)C2)s1 ZINC000941404053 701518687 /nfs/dbraw/zinc/51/86/87/701518687.db2.gz PBYJMWCHXQUSHI-UHFFFAOYSA-N 1 2 344.484 1.193 20 30 EDEDLO C=C1CCC(C(=O)NCC2C[NH+](CC(=O)NC3CCOCC3)C2)CC1 ZINC001031952011 701542857 /nfs/dbraw/zinc/54/28/57/701542857.db2.gz URKCJDGCDPRQHM-UHFFFAOYSA-N 1 2 349.475 1.076 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)cn1 ZINC001032136530 701899928 /nfs/dbraw/zinc/89/99/28/701899928.db2.gz BKXYQRCCEICSLM-UHFFFAOYSA-N 1 2 348.381 1.935 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cc(C)ns3)C2)nc1 ZINC001032137787 701904211 /nfs/dbraw/zinc/90/42/11/701904211.db2.gz ZCGVJVAQSIKWPB-UHFFFAOYSA-N 1 2 326.425 1.690 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)s1 ZINC000941965225 702257598 /nfs/dbraw/zinc/25/75/98/702257598.db2.gz XAIOVUCBTJPHCL-QMTHXVAHSA-N 1 2 344.444 1.687 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)s1 ZINC000941965225 702257603 /nfs/dbraw/zinc/25/76/03/702257603.db2.gz XAIOVUCBTJPHCL-QMTHXVAHSA-N 1 2 344.444 1.687 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccncc2Cl)C1 ZINC001031987501 702419733 /nfs/dbraw/zinc/41/97/33/702419733.db2.gz QKTNGLKKNUWQIA-ZBFHGGJFSA-N 1 2 335.835 1.874 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@H]([NH2+]Cc3cnsn3)C(C)(C)C2)c1 ZINC000996270449 702662136 /nfs/dbraw/zinc/66/21/36/702662136.db2.gz BRJYQYIAKVWTGA-HNNXBMFYSA-N 1 2 341.440 1.555 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@H]([NH2+]Cc3csnn3)C(C)(C)C2)c1 ZINC000996271358 702662701 /nfs/dbraw/zinc/66/27/01/702662701.db2.gz DSAPBLMJJJMUBN-HNNXBMFYSA-N 1 2 341.440 1.555 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000996328521 702713662 /nfs/dbraw/zinc/71/36/62/702713662.db2.gz CMURIUUDSUGOIA-RDBSUJKOSA-N 1 2 334.420 1.296 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C[C@H]2C)CC1 ZINC000942599763 703115010 /nfs/dbraw/zinc/11/50/10/703115010.db2.gz FEVTURPAOWVVMM-RHSMWYFYSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)n3)C[C@H]2C)CC1 ZINC000942599763 703115011 /nfs/dbraw/zinc/11/50/11/703115011.db2.gz FEVTURPAOWVVMM-RHSMWYFYSA-N 1 2 331.464 1.888 20 30 EDEDLO CCn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)n1 ZINC001032390572 703380898 /nfs/dbraw/zinc/38/08/98/703380898.db2.gz QPPBPPLKHJRGPL-HOTGVXAUSA-N 1 2 336.399 1.269 20 30 EDEDLO CCn1ncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)n1 ZINC001032390572 703380899 /nfs/dbraw/zinc/38/08/99/703380899.db2.gz QPPBPPLKHJRGPL-HOTGVXAUSA-N 1 2 336.399 1.269 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC(F)(F)F)n1 ZINC001032461478 703642916 /nfs/dbraw/zinc/64/29/16/703642916.db2.gz LQMHPIMKGKEMLC-RYUDHWBXSA-N 1 2 326.322 1.367 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC(F)(F)F)n1 ZINC001032461478 703642917 /nfs/dbraw/zinc/64/29/17/703642917.db2.gz LQMHPIMKGKEMLC-RYUDHWBXSA-N 1 2 326.322 1.367 20 30 EDEDLO C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCN(CC#N)CC1 ZINC000997372708 703651068 /nfs/dbraw/zinc/65/10/68/703651068.db2.gz LTIQHPVXDYWERO-CQSZACIVSA-N 1 2 338.415 1.621 20 30 EDEDLO CCc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)cnn1C ZINC001032496368 703789610 /nfs/dbraw/zinc/78/96/10/703789610.db2.gz WQUSRJRGUCWNHI-IRXDYDNUSA-N 1 2 349.438 1.953 20 30 EDEDLO CCc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)cnn1C ZINC001032496368 703789611 /nfs/dbraw/zinc/78/96/11/703789611.db2.gz WQUSRJRGUCWNHI-IRXDYDNUSA-N 1 2 349.438 1.953 20 30 EDEDLO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033061608 703976010 /nfs/dbraw/zinc/97/60/10/703976010.db2.gz PJSNMXGFKOFGLA-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1ncn(C)n1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033061608 703976013 /nfs/dbraw/zinc/97/60/13/703976013.db2.gz PJSNMXGFKOFGLA-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033088601 704163983 /nfs/dbraw/zinc/16/39/83/704163983.db2.gz PIWZDLFMRBMIKE-OAGGEKHMSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033088601 704163984 /nfs/dbraw/zinc/16/39/84/704163984.db2.gz PIWZDLFMRBMIKE-OAGGEKHMSA-N 1 2 333.432 1.997 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3n[nH]nc3c2)CC1 ZINC001004457442 704450619 /nfs/dbraw/zinc/45/06/19/704450619.db2.gz KVTQWYQIGXEREU-OAHLLOKOSA-N 1 2 339.403 1.193 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3n[nH]nc3c2)CC1 ZINC001004457442 704450621 /nfs/dbraw/zinc/45/06/21/704450621.db2.gz KVTQWYQIGXEREU-OAHLLOKOSA-N 1 2 339.403 1.193 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)c1cccc(OC)c1 ZINC001032539991 704593659 /nfs/dbraw/zinc/59/36/59/704593659.db2.gz MHKJSAHKXDELJL-XYJFISCASA-N 1 2 328.412 1.691 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](OC)c1cccc(OC)c1 ZINC001032539991 704593661 /nfs/dbraw/zinc/59/36/61/704593661.db2.gz MHKJSAHKXDELJL-XYJFISCASA-N 1 2 328.412 1.691 20 30 EDEDLO C[C@H]([NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C)c1csnn1 ZINC000995638843 704641550 /nfs/dbraw/zinc/64/15/50/704641550.db2.gz RYTSAZLPSUGYHO-HZMBPMFUSA-N 1 2 344.444 1.939 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@]2(F)CCOC2)c1 ZINC001032587022 705106808 /nfs/dbraw/zinc/10/68/08/705106808.db2.gz GZUPFOOBIJTGOD-XYJFISCASA-N 1 2 329.375 1.472 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@]2(F)CCOC2)c1 ZINC001032587022 705106810 /nfs/dbraw/zinc/10/68/10/705106810.db2.gz GZUPFOOBIJTGOD-XYJFISCASA-N 1 2 329.375 1.472 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000997978443 705115911 /nfs/dbraw/zinc/11/59/11/705115911.db2.gz UORATFJOYYZXLU-MRXNPFEDSA-N 1 2 342.403 1.786 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000997978443 705115915 /nfs/dbraw/zinc/11/59/15/705115915.db2.gz UORATFJOYYZXLU-MRXNPFEDSA-N 1 2 342.403 1.786 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000186313610 705262037 /nfs/dbraw/zinc/26/20/37/705262037.db2.gz VITWAXOKNMGMHC-INIZCTEOSA-N 1 2 346.475 1.958 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](C(F)(F)F)[C@H](NCC#N)C1 ZINC000998308047 705720352 /nfs/dbraw/zinc/72/03/52/705720352.db2.gz XQBKBBKVTUGSTP-CHWSQXEVSA-N 1 2 343.353 1.245 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC000998757690 706193078 /nfs/dbraw/zinc/19/30/78/706193078.db2.gz YLAHKPYWOYWEJM-GJZGRUSLSA-N 1 2 338.415 1.508 20 30 EDEDLO Cc1noc([C@H](C)[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998959043 706399466 /nfs/dbraw/zinc/39/94/66/706399466.db2.gz XERFJBFCBVDTIH-GWCFXTLKSA-N 1 2 328.376 1.533 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999357497 706847667 /nfs/dbraw/zinc/84/76/67/706847667.db2.gz FNXAHDVLHHDUGA-CQSZACIVSA-N 1 2 329.404 1.760 20 30 EDEDLO C#CCOc1ncccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](F)CC ZINC001032740495 707768780 /nfs/dbraw/zinc/76/87/80/707768780.db2.gz ROQPYYBSPXWDRQ-KKUMJFAQSA-N 1 2 331.391 1.740 20 30 EDEDLO C#CCOc1ncccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](F)CC ZINC001032740495 707768782 /nfs/dbraw/zinc/76/87/82/707768782.db2.gz ROQPYYBSPXWDRQ-KKUMJFAQSA-N 1 2 331.391 1.740 20 30 EDEDLO CN(C(=O)c1n[nH]cc1F)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033401756 707809394 /nfs/dbraw/zinc/80/93/94/707809394.db2.gz XDTOUTICZJWESK-CYBMUJFWSA-N 1 2 345.353 1.906 20 30 EDEDLO CN(C(=O)c1n[nH]cc1F)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033401756 707809395 /nfs/dbraw/zinc/80/93/95/707809395.db2.gz XDTOUTICZJWESK-CYBMUJFWSA-N 1 2 345.353 1.906 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001033500646 707966978 /nfs/dbraw/zinc/96/69/78/707966978.db2.gz MWWKUVHHHCJKDW-GFCCVEGCSA-N 1 2 349.822 1.230 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn3nc(C)cc3[nH]c2=O)C1 ZINC001033500646 707966981 /nfs/dbraw/zinc/96/69/81/707966981.db2.gz MWWKUVHHHCJKDW-GFCCVEGCSA-N 1 2 349.822 1.230 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001033497149 707992665 /nfs/dbraw/zinc/99/26/65/707992665.db2.gz KJJGIPIFTRLBFU-BZSNNMDCSA-N 1 2 346.475 1.917 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001033497149 707992666 /nfs/dbraw/zinc/99/26/66/707992666.db2.gz KJJGIPIFTRLBFU-BZSNNMDCSA-N 1 2 346.475 1.917 20 30 EDEDLO N#Cc1ccc(NC[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)nn1 ZINC001060944591 708011405 /nfs/dbraw/zinc/01/14/05/708011405.db2.gz ROGRDTPEARXQRP-ZDUSSCGKSA-N 1 2 347.382 1.570 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(NC(C)=O)c1 ZINC001032809491 708104308 /nfs/dbraw/zinc/10/43/08/708104308.db2.gz OVFRPXONESOVIW-GJZGRUSLSA-N 1 2 329.375 1.706 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(NC(C)=O)c1 ZINC001032809491 708104309 /nfs/dbraw/zinc/10/43/09/708104309.db2.gz OVFRPXONESOVIW-GJZGRUSLSA-N 1 2 329.375 1.706 20 30 EDEDLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033516191 708129758 /nfs/dbraw/zinc/12/97/58/708129758.db2.gz RHXBJRQOJFAZDV-ZDUSSCGKSA-N 1 2 328.351 1.162 20 30 EDEDLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033516191 708129760 /nfs/dbraw/zinc/12/97/60/708129760.db2.gz RHXBJRQOJFAZDV-ZDUSSCGKSA-N 1 2 328.351 1.162 20 30 EDEDLO C[C@H](CC(=O)N1CC[C@@H](CNc2cncc(C#N)n2)C1)n1cc[nH+]c1 ZINC001061001293 708138612 /nfs/dbraw/zinc/13/86/12/708138612.db2.gz JUAJREGYGUFPJB-KGLIPLIRSA-N 1 2 339.403 1.456 20 30 EDEDLO Cc1noc([C@@H](C)[NH+]2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001005219575 708247056 /nfs/dbraw/zinc/24/70/56/708247056.db2.gz XVFWCKKKUMIMJC-LLVKDONJSA-N 1 2 342.403 1.875 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(NC(C)=O)ccc1C ZINC001032821632 708323688 /nfs/dbraw/zinc/32/36/88/708323688.db2.gz TXMZNCOYSADSGM-IRXDYDNUSA-N 1 2 325.412 1.875 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(NC(C)=O)ccc1C ZINC001032821632 708323690 /nfs/dbraw/zinc/32/36/90/708323690.db2.gz TXMZNCOYSADSGM-IRXDYDNUSA-N 1 2 325.412 1.875 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC001033615310 708340312 /nfs/dbraw/zinc/34/03/12/708340312.db2.gz BMUPXKUURSHZPW-KBPBESRZSA-N 1 2 327.856 1.721 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC001033615310 708340314 /nfs/dbraw/zinc/34/03/14/708340314.db2.gz BMUPXKUURSHZPW-KBPBESRZSA-N 1 2 327.856 1.721 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2nc(C)no2)CC1 ZINC001001844719 708349198 /nfs/dbraw/zinc/34/91/98/708349198.db2.gz QMSMKIZIHKFPAG-CABCVRRESA-N 1 2 334.420 1.297 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3nnn(C)c32)C1 ZINC001033727517 708576589 /nfs/dbraw/zinc/57/65/89/708576589.db2.gz HVVMCSZNJFYVFC-GFCCVEGCSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3nnn(C)c32)C1 ZINC001033727517 708576592 /nfs/dbraw/zinc/57/65/92/708576592.db2.gz HVVMCSZNJFYVFC-GFCCVEGCSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005406969 708936426 /nfs/dbraw/zinc/93/64/26/708936426.db2.gz UDHHMULBPYMFRW-SJORKVTESA-N 1 2 344.459 1.881 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002790621 709389361 /nfs/dbraw/zinc/38/93/61/709389361.db2.gz DOGKXDWOKPWWLF-HZPDHXFCSA-N 1 2 328.372 1.304 20 30 EDEDLO Cn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034163587 709436358 /nfs/dbraw/zinc/43/63/58/709436358.db2.gz MXCPNJCHBGHZSC-AWEZNQCLSA-N 1 2 326.404 1.404 20 30 EDEDLO Cn1ccc(C[N@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034163587 709436360 /nfs/dbraw/zinc/43/63/60/709436360.db2.gz MXCPNJCHBGHZSC-AWEZNQCLSA-N 1 2 326.404 1.404 20 30 EDEDLO CCn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034164052 709437277 /nfs/dbraw/zinc/43/72/77/709437277.db2.gz DQFSPCBKVVNOCY-CQSZACIVSA-N 1 2 341.419 1.282 20 30 EDEDLO CCn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034164052 709437278 /nfs/dbraw/zinc/43/72/78/709437278.db2.gz DQFSPCBKVVNOCY-CQSZACIVSA-N 1 2 341.419 1.282 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001002849103 709458517 /nfs/dbraw/zinc/45/85/17/709458517.db2.gz OTBMAKSFCGZYIN-CVEARBPZSA-N 1 2 332.448 1.482 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001034219523 709577161 /nfs/dbraw/zinc/57/71/61/709577161.db2.gz NZKMEEZUXBINGY-GFCCVEGCSA-N 1 2 340.859 1.765 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001034219523 709577164 /nfs/dbraw/zinc/57/71/64/709577164.db2.gz NZKMEEZUXBINGY-GFCCVEGCSA-N 1 2 340.859 1.765 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2c(C)nnn2CC)C1 ZINC001034242712 709630281 /nfs/dbraw/zinc/63/02/81/709630281.db2.gz DXAONPVVNOSLBF-CYBMUJFWSA-N 1 2 325.844 1.943 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)nnn2CC)C1 ZINC001034242712 709630283 /nfs/dbraw/zinc/63/02/83/709630283.db2.gz DXAONPVVNOSLBF-CYBMUJFWSA-N 1 2 325.844 1.943 20 30 EDEDLO CN(c1ncc(C#N)cc1F)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001061217652 709754472 /nfs/dbraw/zinc/75/44/72/709754472.db2.gz KNAWGSDOMDZNOI-CQSZACIVSA-N 1 2 342.378 1.416 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC001003035370 709848388 /nfs/dbraw/zinc/84/83/88/709848388.db2.gz YUAPWZPBAJABEJ-UHFFFAOYSA-N 1 2 348.366 1.265 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CCCNC2=O)CC1 ZINC001003071644 709936973 /nfs/dbraw/zinc/93/69/73/709936973.db2.gz JVAPBEAXQXSWNO-GFCCVEGCSA-N 1 2 344.253 1.002 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001061760734 710242064 /nfs/dbraw/zinc/24/20/64/710242064.db2.gz VGFVBTLGTIBROE-VYDXJSESSA-N 1 2 330.432 1.709 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC001061795951 710940045 /nfs/dbraw/zinc/94/00/45/710940045.db2.gz ACNNPJZOAUAEOE-JKSUJKDBSA-N 1 2 348.447 1.219 20 30 EDEDLO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)on1 ZINC001033025805 711420337 /nfs/dbraw/zinc/42/03/37/711420337.db2.gz LBIKIYFTQKDRNG-MRXNPFEDSA-N 1 2 339.395 1.881 20 30 EDEDLO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)on1 ZINC001033025805 711420340 /nfs/dbraw/zinc/42/03/40/711420340.db2.gz LBIKIYFTQKDRNG-MRXNPFEDSA-N 1 2 339.395 1.881 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001034942004 711447389 /nfs/dbraw/zinc/44/73/89/711447389.db2.gz UIIAKRTVFBBIQT-KFWWJZLASA-N 1 2 348.447 1.694 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 ZINC001004484807 711864136 /nfs/dbraw/zinc/86/41/36/711864136.db2.gz MILLKYDEBPRXCT-ZDUSSCGKSA-N 1 2 330.388 1.219 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 ZINC001004484807 711864137 /nfs/dbraw/zinc/86/41/37/711864137.db2.gz MILLKYDEBPRXCT-ZDUSSCGKSA-N 1 2 330.388 1.219 20 30 EDEDLO CO[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004499180 711889744 /nfs/dbraw/zinc/88/97/44/711889744.db2.gz QRLXJVRGOAVNEU-IRXDYDNUSA-N 1 2 345.447 1.334 20 30 EDEDLO CO[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004499180 711889746 /nfs/dbraw/zinc/88/97/46/711889746.db2.gz QRLXJVRGOAVNEU-IRXDYDNUSA-N 1 2 345.447 1.334 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000051407955 214092074 /nfs/dbraw/zinc/09/20/74/214092074.db2.gz SCWKZSDXAMPXDC-UHFFFAOYSA-N 1 2 346.431 1.718 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000051407955 214092076 /nfs/dbraw/zinc/09/20/76/214092076.db2.gz SCWKZSDXAMPXDC-UHFFFAOYSA-N 1 2 346.431 1.718 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000173894774 231063923 /nfs/dbraw/zinc/06/39/23/231063923.db2.gz CEWIYPXISOJKJC-INIZCTEOSA-N 1 2 349.456 1.434 20 30 EDEDLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000328875788 539374472 /nfs/dbraw/zinc/37/44/72/539374472.db2.gz GBCUNBQMKBXGKP-GFCCVEGCSA-N 1 2 329.466 1.223 20 30 EDEDLO C[C@H](CNC(=O)N=c1nc(C(C)(C)C)[nH]s1)C[NH+]1CCOCC1 ZINC000329858067 539470513 /nfs/dbraw/zinc/47/05/13/539470513.db2.gz VUVLHXVJTACMPX-LLVKDONJSA-N 1 2 341.481 1.552 20 30 EDEDLO COC(=O)CC[N@@H+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@H]1C ZINC000450586314 291027192 /nfs/dbraw/zinc/02/71/92/291027192.db2.gz HHZRRRNSJIZOPQ-KBXCAEBGSA-N 1 2 333.432 1.556 20 30 EDEDLO COC(=O)CC[N@H+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@H]1C ZINC000450586314 291027194 /nfs/dbraw/zinc/02/71/94/291027194.db2.gz HHZRRRNSJIZOPQ-KBXCAEBGSA-N 1 2 333.432 1.556 20 30 EDEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCNC(=O)[C@@H]2c2cccs2)cc1 ZINC000370556234 283187151 /nfs/dbraw/zinc/18/71/51/283187151.db2.gz GUSPRJGGHDOYON-HOCLYGCPSA-N 1 2 327.409 1.826 20 30 EDEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCNC(=O)[C@@H]2c2cccs2)cc1 ZINC000370556234 283187152 /nfs/dbraw/zinc/18/71/52/283187152.db2.gz GUSPRJGGHDOYON-HOCLYGCPSA-N 1 2 327.409 1.826 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc2c1OCO2 ZINC000091936604 138285910 /nfs/dbraw/zinc/28/59/10/138285910.db2.gz BRKFKOSYQHEXFP-CYBMUJFWSA-N 1 2 337.383 1.788 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc2c1OCO2 ZINC000091936604 138285911 /nfs/dbraw/zinc/28/59/11/138285911.db2.gz BRKFKOSYQHEXFP-CYBMUJFWSA-N 1 2 337.383 1.788 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCN(CC(F)F)CC2)CCCCC1 ZINC000091082975 237010563 /nfs/dbraw/zinc/01/05/63/237010563.db2.gz PKKAQIPCQPOJDZ-UHFFFAOYSA-N 1 2 328.407 1.602 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(CC(F)F)CC2)CCCCC1 ZINC000091082975 237010571 /nfs/dbraw/zinc/01/05/71/237010571.db2.gz PKKAQIPCQPOJDZ-UHFFFAOYSA-N 1 2 328.407 1.602 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc(F)c(Br)c1 ZINC000111181714 237111789 /nfs/dbraw/zinc/11/17/89/237111789.db2.gz YHYIBGQJGPKBFC-UHFFFAOYSA-N 1 2 346.200 1.709 20 30 EDEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]O[C@H](C)C(=O)NC3CC3)cn2)n1 ZINC000113249913 237127024 /nfs/dbraw/zinc/12/70/24/237127024.db2.gz KYTRMTHRVJBHGH-GFCCVEGCSA-N 1 2 342.403 1.188 20 30 EDEDLO N#CC1(NC(=O)CN2CC[NH+](Cc3cccnc3)CC2)CCCCC1 ZINC000125310385 237161574 /nfs/dbraw/zinc/16/15/74/237161574.db2.gz LHXMSSHUOSCXAL-UHFFFAOYSA-N 1 2 341.459 1.542 20 30 EDEDLO COC(=O)C1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000028708901 212632710 /nfs/dbraw/zinc/63/27/10/212632710.db2.gz ACMYOIMHSFYMQD-MRXNPFEDSA-N 1 2 327.384 1.549 20 30 EDEDLO CO/N=C/c1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000287307502 283706864 /nfs/dbraw/zinc/70/68/64/283706864.db2.gz LRTDDXVRKRPCLH-RBIFKOBWSA-N 1 2 331.416 1.602 20 30 EDEDLO N#Cc1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccn1 ZINC000195038117 139005372 /nfs/dbraw/zinc/00/53/72/139005372.db2.gz SFFZUJUWTHQFLD-UHFFFAOYSA-N 1 2 336.395 1.790 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000266913240 249352915 /nfs/dbraw/zinc/35/29/15/249352915.db2.gz DTGDYUROZHWJLZ-OAHLLOKOSA-N 1 2 344.463 1.273 20 30 EDEDLO COc1cc(C[NH+]2CCN(C(=O)CSCC#N)CC2)cc(OC)c1 ZINC000266949819 249352934 /nfs/dbraw/zinc/35/29/34/249352934.db2.gz HBTDMCOFYUVLQD-UHFFFAOYSA-N 1 2 349.456 1.605 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329302817 249832998 /nfs/dbraw/zinc/83/29/98/249832998.db2.gz WOYSGZXUELREBF-HUUCEWRRSA-N 1 2 334.420 1.513 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000352301783 250079776 /nfs/dbraw/zinc/07/97/76/250079776.db2.gz HUYOBJLLKZNMPI-AAEUAGOBSA-N 1 2 325.438 1.187 20 30 EDEDLO N#CCCCOc1cccc(C[N@@H+]2CCO[C@H](Cn3cncn3)C2)c1 ZINC000353642282 250082637 /nfs/dbraw/zinc/08/26/37/250082637.db2.gz HQUXKHBFXKPGSA-SFHVURJKSA-N 1 2 341.415 1.862 20 30 EDEDLO N#CCCCOc1cccc(C[N@H+]2CCO[C@H](Cn3cncn3)C2)c1 ZINC000353642282 250082641 /nfs/dbraw/zinc/08/26/41/250082641.db2.gz HQUXKHBFXKPGSA-SFHVURJKSA-N 1 2 341.415 1.862 20 30 EDEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)CCOC)CC2)cc1OC ZINC000355042941 250103965 /nfs/dbraw/zinc/10/39/65/250103965.db2.gz FHDNVAACQDAHFE-UHFFFAOYSA-N 1 2 348.443 1.941 20 30 EDEDLO N#CCCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000355586513 250117155 /nfs/dbraw/zinc/11/71/55/250117155.db2.gz LGBAAZVUDCGYDE-OAHLLOKOSA-N 1 2 331.420 1.437 20 30 EDEDLO N#CCCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000355586513 250117161 /nfs/dbraw/zinc/11/71/61/250117161.db2.gz LGBAAZVUDCGYDE-OAHLLOKOSA-N 1 2 331.420 1.437 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC000374874438 250273285 /nfs/dbraw/zinc/27/32/85/250273285.db2.gz JMOPNSXYFZMYEU-AWEZNQCLSA-N 1 2 349.456 1.094 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000410892534 250396702 /nfs/dbraw/zinc/39/67/02/250396702.db2.gz OGDLDKWJDGLUNF-HNNXBMFYSA-N 1 2 340.427 1.980 20 30 EDEDLO COc1ccnc(N2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)n1 ZINC000159876798 533067568 /nfs/dbraw/zinc/06/75/68/533067568.db2.gz KMOWEAWKWJNYSE-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)c(Cl)c1 ZINC000490280148 255082855 /nfs/dbraw/zinc/08/28/55/255082855.db2.gz VXJMIWURBUSWEX-UHFFFAOYSA-N 1 2 331.763 1.553 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCOC2)CC1 ZINC000491067510 255118346 /nfs/dbraw/zinc/11/83/46/255118346.db2.gz IRBCPIMSEHQGOA-MRXNPFEDSA-N 1 2 331.464 1.268 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccccc2OC(C)C)CC1 ZINC000491073008 255118581 /nfs/dbraw/zinc/11/85/81/255118581.db2.gz WZGANBGDFXVKOX-UHFFFAOYSA-N 1 2 329.444 1.341 20 30 EDEDLO C#C[C@H](C)N(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000491643182 255136931 /nfs/dbraw/zinc/13/69/31/255136931.db2.gz ZRHFPZCZZWKFHH-KKUMJFAQSA-N 1 2 330.432 1.858 20 30 EDEDLO N#Cc1ccc(CN2CC[C@H](NC(=O)C=Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000493562663 255216084 /nfs/dbraw/zinc/21/60/84/255216084.db2.gz VQOPHKZUWABADW-KJPDOMRESA-N 1 2 335.367 1.212 20 30 EDEDLO Cc1cc(C)nc(N2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)n1 ZINC000571404781 306564673 /nfs/dbraw/zinc/56/46/73/306564673.db2.gz YPMJKCAWCLYHNT-UHFFFAOYSA-N 1 2 348.414 1.330 20 30 EDEDLO N#Cc1ccc(C(F)(F)F)nc1NCCC[N@@H+]1CCNC(=O)C1 ZINC000269946978 140023061 /nfs/dbraw/zinc/02/30/61/140023061.db2.gz HXMATLKBJDRKOP-UHFFFAOYSA-N 1 2 327.310 1.206 20 30 EDEDLO N#Cc1ccc(C(F)(F)F)nc1NCCC[N@H+]1CCNC(=O)C1 ZINC000269946978 140023062 /nfs/dbraw/zinc/02/30/62/140023062.db2.gz HXMATLKBJDRKOP-UHFFFAOYSA-N 1 2 327.310 1.206 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000331448855 141031057 /nfs/dbraw/zinc/03/10/57/141031057.db2.gz CJGHKHNOXIHMRY-HBUWYVDXSA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000331448855 141031059 /nfs/dbraw/zinc/03/10/59/141031059.db2.gz CJGHKHNOXIHMRY-HBUWYVDXSA-N 1 2 329.400 1.765 20 30 EDEDLO COc1ccc([C@@H](CNc2ccnc(C#N)c2)[NH+]2CCOCC2)cc1 ZINC000339969150 142215824 /nfs/dbraw/zinc/21/58/24/142215824.db2.gz MYHJJJWRPPENQO-LJQANCHMSA-N 1 2 338.411 1.869 20 30 EDEDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000340030318 142240752 /nfs/dbraw/zinc/24/07/52/142240752.db2.gz NXAKEWHFQXSZQU-UHFFFAOYSA-N 1 2 335.371 1.332 20 30 EDEDLO C[C@@H](NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000345088979 143048552 /nfs/dbraw/zinc/04/85/52/143048552.db2.gz GFONNEKBMXQGEY-MRXNPFEDSA-N 1 2 349.438 1.953 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@H](F)C[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000353305358 149358635 /nfs/dbraw/zinc/35/86/35/149358635.db2.gz BODRIZDELQQXNC-UKRRQHHQSA-N 1 2 345.378 1.834 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@H](F)C[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000353305358 149358639 /nfs/dbraw/zinc/35/86/39/149358639.db2.gz BODRIZDELQQXNC-UKRRQHHQSA-N 1 2 345.378 1.834 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000355432628 150265750 /nfs/dbraw/zinc/26/57/50/150265750.db2.gz VHLGUXMOPAUONV-VKJFTORMSA-N 1 2 343.427 1.647 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)c(Cl)c1 ZINC000355630102 150344131 /nfs/dbraw/zinc/34/41/31/150344131.db2.gz HHMKGYKWHCHQAH-UHFFFAOYSA-N 1 2 348.771 1.754 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c(OC(F)F)c1 ZINC000357394656 151018005 /nfs/dbraw/zinc/01/80/05/151018005.db2.gz WPONTXPKPYSMDM-NSHDSACASA-N 1 2 331.344 1.022 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c(OC(F)F)c1 ZINC000357394656 151018006 /nfs/dbraw/zinc/01/80/06/151018006.db2.gz WPONTXPKPYSMDM-NSHDSACASA-N 1 2 331.344 1.022 20 30 EDEDLO CCOCCC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000357608925 151083790 /nfs/dbraw/zinc/08/37/90/151083790.db2.gz UBDRKBMPYDKBJH-UHFFFAOYSA-N 1 2 337.445 1.291 20 30 EDEDLO COc1cc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)ccc1C#N ZINC000358286359 151326264 /nfs/dbraw/zinc/32/62/64/151326264.db2.gz ZPPHSBYXLANDOB-MRXNPFEDSA-N 1 2 344.415 1.183 20 30 EDEDLO COc1cc(CNC(=O)N(C)CC[NH+]2CCOCC2)ccc1C#N ZINC000360650053 152138748 /nfs/dbraw/zinc/13/87/48/152138748.db2.gz XTQJVPYVFVRLKK-UHFFFAOYSA-N 1 2 332.404 1.040 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C1 ZINC000360669985 152146779 /nfs/dbraw/zinc/14/67/79/152146779.db2.gz SBRDCMOWZVSEDV-FZKQIMNGSA-N 1 2 348.406 1.605 20 30 EDEDLO Cn1cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000361049766 152289250 /nfs/dbraw/zinc/28/92/50/152289250.db2.gz DPOIPXJOESGQRP-INIZCTEOSA-N 1 2 337.383 1.595 20 30 EDEDLO Cn1cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000361049766 152289253 /nfs/dbraw/zinc/28/92/53/152289253.db2.gz DPOIPXJOESGQRP-INIZCTEOSA-N 1 2 337.383 1.595 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1F ZINC000364471180 153247368 /nfs/dbraw/zinc/24/73/68/153247368.db2.gz FTEPLCNDZCJKBN-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1F ZINC000364471180 153247371 /nfs/dbraw/zinc/24/73/71/153247371.db2.gz FTEPLCNDZCJKBN-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1(C)C ZINC000370228219 155389200 /nfs/dbraw/zinc/38/92/00/155389200.db2.gz UDJOLXWQQPGLAN-STQMWFEESA-N 1 2 347.440 1.856 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1(C)C ZINC000370228219 155389202 /nfs/dbraw/zinc/38/92/02/155389202.db2.gz UDJOLXWQQPGLAN-STQMWFEESA-N 1 2 347.440 1.856 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)nc1 ZINC000574455658 306650980 /nfs/dbraw/zinc/65/09/80/306650980.db2.gz GBZOSSBTSOWWLB-GDBMZVCRSA-N 1 2 337.383 1.392 20 30 EDEDLO N#Cc1c(NC[C@]2([NH+]3CCOCC3)CCCOC2)nc2ccccn21 ZINC000371735243 156082575 /nfs/dbraw/zinc/08/25/75/156082575.db2.gz RJOWMMGSLBLUHW-GOSISDBHSA-N 1 2 341.415 1.499 20 30 EDEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccccc1C#N)CCC2 ZINC000372132883 156235556 /nfs/dbraw/zinc/23/55/56/156235556.db2.gz ZKQUGNJPSZZCIV-CQSZACIVSA-N 1 2 330.413 1.919 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000372179351 156259717 /nfs/dbraw/zinc/25/97/17/156259717.db2.gz GLAFGJHAICBKFX-QGZVFWFLSA-N 1 2 340.427 1.293 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000372181849 156259804 /nfs/dbraw/zinc/25/98/04/156259804.db2.gz WBXOZJDOUDMGDU-LJQANCHMSA-N 1 2 343.427 1.478 20 30 EDEDLO N#Cc1c(F)cccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000372293317 156317053 /nfs/dbraw/zinc/31/70/53/156317053.db2.gz DEYRZFKVTYTXSF-SFHVURJKSA-N 1 2 347.390 1.309 20 30 EDEDLO COCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H](C)C(N)=O ZINC000160033659 225323397 /nfs/dbraw/zinc/32/33/97/225323397.db2.gz PQLGWCYUUSWUPF-GFCCVEGCSA-N 1 2 344.333 1.759 20 30 EDEDLO COCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H](C)C(N)=O ZINC000160033659 225323403 /nfs/dbraw/zinc/32/34/03/225323403.db2.gz PQLGWCYUUSWUPF-GFCCVEGCSA-N 1 2 344.333 1.759 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280869088 270009176 /nfs/dbraw/zinc/00/91/76/270009176.db2.gz LGKJEKDHLSIZOO-QGZVFWFLSA-N 1 2 340.427 1.468 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280869088 270009177 /nfs/dbraw/zinc/00/91/77/270009177.db2.gz LGKJEKDHLSIZOO-QGZVFWFLSA-N 1 2 340.427 1.468 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491352000 270014466 /nfs/dbraw/zinc/01/44/66/270014466.db2.gz MNLKBLRAQMHLCB-SREVYHEPSA-N 1 2 338.411 1.646 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000534126964 270016160 /nfs/dbraw/zinc/01/61/60/270016160.db2.gz SEAVSYZFKIRYEZ-HNNXBMFYSA-N 1 2 347.440 1.029 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000534126964 270016161 /nfs/dbraw/zinc/01/61/61/270016161.db2.gz SEAVSYZFKIRYEZ-HNNXBMFYSA-N 1 2 347.440 1.029 20 30 EDEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000282369788 266358267 /nfs/dbraw/zinc/35/82/67/266358267.db2.gz QFWTYKPFYFREGM-OAHLLOKOSA-N 1 2 344.459 1.599 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000282369788 266358273 /nfs/dbraw/zinc/35/82/73/266358273.db2.gz QFWTYKPFYFREGM-OAHLLOKOSA-N 1 2 344.459 1.599 20 30 EDEDLO COC(=O)N1CCN(c2ccc(Nc3nccnc3C#N)c[nH+]2)CC1 ZINC000292840432 266634790 /nfs/dbraw/zinc/63/47/90/266634790.db2.gz QOFFLPUVVWISEB-UHFFFAOYSA-N 1 2 339.359 1.375 20 30 EDEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC(=O)N1C ZINC000282132646 267047944 /nfs/dbraw/zinc/04/79/44/267047944.db2.gz KEAXQPWAMUFBFK-LLVKDONJSA-N 1 2 346.456 1.600 20 30 EDEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC(=O)N1C ZINC000282132646 267047947 /nfs/dbraw/zinc/04/79/47/267047947.db2.gz KEAXQPWAMUFBFK-LLVKDONJSA-N 1 2 346.456 1.600 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1[NH+]1CCOCC1 ZINC000427795320 267203708 /nfs/dbraw/zinc/20/37/08/267203708.db2.gz YWSGPSTXERSXEO-NVXWUHKLSA-N 1 2 349.456 1.290 20 30 EDEDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCOC2)O1 ZINC000280580811 267233825 /nfs/dbraw/zinc/23/38/25/267233825.db2.gz STWGDFVHFCEPCN-SCLBCKFNSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@]2(CCOC2)O1 ZINC000280580811 267233828 /nfs/dbraw/zinc/23/38/28/267233828.db2.gz STWGDFVHFCEPCN-SCLBCKFNSA-N 1 2 340.383 1.988 20 30 EDEDLO C[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(c2cc(C#N)ccn2)CCO1 ZINC000418932683 267299764 /nfs/dbraw/zinc/29/97/64/267299764.db2.gz GZIOXGOUFCYMMF-HNNXBMFYSA-N 1 2 346.431 1.432 20 30 EDEDLO C[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CN(c2cc(C#N)ccn2)CCO1 ZINC000418932683 267299767 /nfs/dbraw/zinc/29/97/67/267299767.db2.gz GZIOXGOUFCYMMF-HNNXBMFYSA-N 1 2 346.431 1.432 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000287913521 267315204 /nfs/dbraw/zinc/31/52/04/267315204.db2.gz ONISHGGCEKKRTI-UHFFFAOYSA-N 1 2 339.447 1.930 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(F)c(C#N)c1 ZINC000529755167 267330189 /nfs/dbraw/zinc/33/01/89/267330189.db2.gz ZAZCYYBCTVUWOA-SFHVURJKSA-N 1 2 347.390 1.043 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(F)c(C#N)c1 ZINC000529755167 267330192 /nfs/dbraw/zinc/33/01/92/267330192.db2.gz ZAZCYYBCTVUWOA-SFHVURJKSA-N 1 2 347.390 1.043 20 30 EDEDLO Cc1cc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)c(C#N)cc1N(C)C ZINC000331235481 267334189 /nfs/dbraw/zinc/33/41/89/267334189.db2.gz LNULTOKUKXEQCZ-CQSZACIVSA-N 1 2 345.447 1.979 20 30 EDEDLO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442856723 267356288 /nfs/dbraw/zinc/35/62/88/267356288.db2.gz RMAYKLCLNKCROP-UHFFFAOYSA-N 1 2 331.416 1.636 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)nn1 ZINC000301845895 268117322 /nfs/dbraw/zinc/11/73/22/268117322.db2.gz TYUYJQBVQGSHKE-UHFFFAOYSA-N 1 2 348.410 1.060 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC34CC(C3)CO4)CC2)cc1 ZINC000528251462 268218702 /nfs/dbraw/zinc/21/87/02/268218702.db2.gz OWRJRCJLJPUBRC-UHFFFAOYSA-N 1 2 340.427 1.564 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)NC3CC3)CC2)c(Cl)c1 ZINC000439445481 268220362 /nfs/dbraw/zinc/22/03/62/268220362.db2.gz CSPTTWNYNQKSDY-UHFFFAOYSA-N 1 2 332.835 1.608 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H](O)C3)CC2)cc1 ZINC000439250126 268220451 /nfs/dbraw/zinc/22/04/51/268220451.db2.gz LUFAFIXCUCPWHR-QZTJIDSGSA-N 1 2 327.428 1.754 20 30 EDEDLO N#Cc1ccnc(NCc2ccccc2OCC[NH+]2CCOCC2)n1 ZINC000295495617 268298173 /nfs/dbraw/zinc/29/81/73/268298173.db2.gz KIOJCXZQVSOQNT-UHFFFAOYSA-N 1 2 339.399 1.671 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC(F)(F)[C@H](CO)C2)C1=O ZINC000291770841 268304098 /nfs/dbraw/zinc/30/40/98/268304098.db2.gz LQYMBKOKYSERAM-RYUDHWBXSA-N 1 2 341.383 1.675 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC(F)(F)[C@H](CO)C2)C1=O ZINC000291770841 268304103 /nfs/dbraw/zinc/30/41/03/268304103.db2.gz LQYMBKOKYSERAM-RYUDHWBXSA-N 1 2 341.383 1.675 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000428405855 268324512 /nfs/dbraw/zinc/32/45/12/268324512.db2.gz YIBKRWSFKJKWRM-UHFFFAOYSA-N 1 2 339.380 1.822 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000275942849 268385772 /nfs/dbraw/zinc/38/57/72/268385772.db2.gz LJYORFNSXKMXHQ-KRWDZBQOSA-N 1 2 335.411 1.624 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000275942849 268385774 /nfs/dbraw/zinc/38/57/74/268385774.db2.gz LJYORFNSXKMXHQ-KRWDZBQOSA-N 1 2 335.411 1.624 20 30 EDEDLO C[C@H](NC(=O)N1CCCC[C@@H]1c1ccnn1C)[C@H](C)[NH+]1CCOCC1 ZINC000329286182 297945600 /nfs/dbraw/zinc/94/56/00/297945600.db2.gz GUFNWXNBFDAGEL-YQQAZPJKSA-N 1 2 349.479 1.970 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414612952 447315387 /nfs/dbraw/zinc/31/53/87/447315387.db2.gz PXDFNTZTQHYACO-JKSUJKDBSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414612952 447315392 /nfs/dbraw/zinc/31/53/92/447315392.db2.gz PXDFNTZTQHYACO-JKSUJKDBSA-N 1 2 342.443 1.337 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000366220919 303199090 /nfs/dbraw/zinc/19/90/90/303199090.db2.gz GRXMXDBVBGYUPJ-SJORKVTESA-N 1 2 349.456 1.480 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000448604229 447335278 /nfs/dbraw/zinc/33/52/78/447335278.db2.gz LZEZWORRFRTKTP-GOSISDBHSA-N 1 2 338.411 1.998 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000434848171 305131716 /nfs/dbraw/zinc/13/17/16/305131716.db2.gz HYHGHGFZVAUGHO-UHFFFAOYSA-N 1 2 328.376 1.103 20 30 EDEDLO N#CCc1cccc(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)c1 ZINC000377946187 447391604 /nfs/dbraw/zinc/39/16/04/447391604.db2.gz BPGKYCTXCIRCSS-KRWDZBQOSA-N 1 2 340.427 1.179 20 30 EDEDLO N#C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2=O)C[C@@]12C(=O)Nc1ccccc12 ZINC000378291013 447414427 /nfs/dbraw/zinc/41/44/27/447414427.db2.gz NPBNDMJLGCSUIV-SNUQEOBHSA-N 1 2 325.368 1.285 20 30 EDEDLO N#C[C@@H]1C[N@H+](CC[C@@H]2CCOC2=O)C[C@@]12C(=O)Nc1ccccc12 ZINC000378291013 447414430 /nfs/dbraw/zinc/41/44/30/447414430.db2.gz NPBNDMJLGCSUIV-SNUQEOBHSA-N 1 2 325.368 1.285 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)nc1 ZINC000378445853 447429298 /nfs/dbraw/zinc/42/92/98/447429298.db2.gz VABUJASKMJNLHO-DJJJIMSYSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)nc1 ZINC000378445853 447429303 /nfs/dbraw/zinc/42/93/03/447429303.db2.gz VABUJASKMJNLHO-DJJJIMSYSA-N 1 2 334.379 1.936 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000378451213 447429743 /nfs/dbraw/zinc/42/97/43/447429743.db2.gz JRDYBOWQKPOYER-OAHLLOKOSA-N 1 2 336.480 1.857 20 30 EDEDLO COc1ccccc1[C@@H](NC(=O)CSCC#N)c1[nH+]ccn1C ZINC000046025471 441070194 /nfs/dbraw/zinc/07/01/94/441070194.db2.gz SODUTHCVCQIQTE-OAHLLOKOSA-N 1 2 330.413 1.891 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081011239 441219805 /nfs/dbraw/zinc/21/98/05/441219805.db2.gz XVXXEOXOHCVMCO-IBGZPJMESA-N 1 2 344.459 1.564 20 30 EDEDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060480823 441246390 /nfs/dbraw/zinc/24/63/90/441246390.db2.gz FKYOFDVYJHXMBD-CQSZACIVSA-N 1 2 329.448 1.769 20 30 EDEDLO C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000105301419 441249316 /nfs/dbraw/zinc/24/93/16/441249316.db2.gz HTVXDZYKPJVJDH-HUUCEWRRSA-N 1 2 330.432 1.809 20 30 EDEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NCc2ccccc2F)cs1 ZINC000063456828 441329927 /nfs/dbraw/zinc/32/99/27/441329927.db2.gz BVUUFGIRFYFOLD-UHFFFAOYSA-N 1 2 336.392 1.738 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000073640840 441337193 /nfs/dbraw/zinc/33/71/93/441337193.db2.gz VMXQQBUEFYDBPF-INIZCTEOSA-N 1 2 339.361 1.657 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000050173169 441376980 /nfs/dbraw/zinc/37/69/80/441376980.db2.gz WWMAODRXNBVAFQ-UHFFFAOYSA-N 1 2 341.371 1.298 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000051148236 441400336 /nfs/dbraw/zinc/40/03/36/441400336.db2.gz CFZIDHZKPBDQSM-UHFFFAOYSA-N 1 2 348.403 1.023 20 30 EDEDLO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000030135504 441484735 /nfs/dbraw/zinc/48/47/35/441484735.db2.gz LHRJHNYIFHQQJJ-UHFFFAOYSA-N 1 2 339.436 1.991 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000030538404 441495156 /nfs/dbraw/zinc/49/51/56/441495156.db2.gz MRJUBTDWVKYQEN-CYBMUJFWSA-N 1 2 332.404 1.266 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000030538404 441495157 /nfs/dbraw/zinc/49/51/57/441495157.db2.gz MRJUBTDWVKYQEN-CYBMUJFWSA-N 1 2 332.404 1.266 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccc3)n(C)c2=S)CC1 ZINC000029436325 441459222 /nfs/dbraw/zinc/45/92/22/441459222.db2.gz VDHNIGMYCBRUSM-UHFFFAOYSA-N 1 2 327.457 1.826 20 30 EDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075620647 441542852 /nfs/dbraw/zinc/54/28/52/441542852.db2.gz CVOOOMJRNRHDFZ-AWEZNQCLSA-N 1 2 325.372 1.661 20 30 EDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075620647 441542854 /nfs/dbraw/zinc/54/28/54/441542854.db2.gz CVOOOMJRNRHDFZ-AWEZNQCLSA-N 1 2 325.372 1.661 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000066560302 441543875 /nfs/dbraw/zinc/54/38/75/441543875.db2.gz SPVBEHPDZNWHGX-MRXNPFEDSA-N 1 2 328.416 1.500 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000066560302 441543877 /nfs/dbraw/zinc/54/38/77/441543877.db2.gz SPVBEHPDZNWHGX-MRXNPFEDSA-N 1 2 328.416 1.500 20 30 EDEDLO CCCC(=O)NCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000054042251 441555548 /nfs/dbraw/zinc/55/55/48/441555548.db2.gz FGPWKWPDHOBJNU-UHFFFAOYSA-N 1 2 328.416 1.119 20 30 EDEDLO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCS(C)(=O)=O ZINC000076306487 441626953 /nfs/dbraw/zinc/62/69/53/441626953.db2.gz UKUPOMNJXIHMPG-UHFFFAOYSA-N 1 2 343.836 1.517 20 30 EDEDLO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCS(C)(=O)=O ZINC000076306487 441626954 /nfs/dbraw/zinc/62/69/54/441626954.db2.gz UKUPOMNJXIHMPG-UHFFFAOYSA-N 1 2 343.836 1.517 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858182 441692171 /nfs/dbraw/zinc/69/21/71/441692171.db2.gz SETZIHKYWVFENL-CXAGYDPISA-N 1 2 329.400 1.305 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000114858182 441692176 /nfs/dbraw/zinc/69/21/76/441692176.db2.gz SETZIHKYWVFENL-CXAGYDPISA-N 1 2 329.400 1.305 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc2cnccn12 ZINC000091936572 441755057 /nfs/dbraw/zinc/75/50/57/441755057.db2.gz OIUNEQCZOVUHOF-ZDUSSCGKSA-N 1 2 334.387 1.102 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc2cnccn12 ZINC000091936572 441755065 /nfs/dbraw/zinc/75/50/65/441755065.db2.gz OIUNEQCZOVUHOF-ZDUSSCGKSA-N 1 2 334.387 1.102 20 30 EDEDLO CC[C@](C)(C#N)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000158328763 441725159 /nfs/dbraw/zinc/72/51/59/441725159.db2.gz PSGJFYQXONLONU-GOSISDBHSA-N 1 2 343.431 1.319 20 30 EDEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@H]3CCN(C)C3=O)c2)n1 ZINC000116267786 441806841 /nfs/dbraw/zinc/80/68/41/441806841.db2.gz PYICDSIOGTVGCO-INIZCTEOSA-N 1 2 341.415 1.416 20 30 EDEDLO C#CCN(CC)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000139707117 441823440 /nfs/dbraw/zinc/82/34/40/441823440.db2.gz OFOSNXXBQNUQAR-UHFFFAOYSA-N 1 2 345.443 1.562 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000122224748 441841132 /nfs/dbraw/zinc/84/11/32/441841132.db2.gz SGNSGHPYCNLEAH-UHFFFAOYSA-N 1 2 343.471 1.820 20 30 EDEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000068766934 441848379 /nfs/dbraw/zinc/84/83/79/441848379.db2.gz XRMBBKKYIZIODL-UHFFFAOYSA-N 1 2 325.409 1.618 20 30 EDEDLO C#CCSCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160913236 441935806 /nfs/dbraw/zinc/93/58/06/441935806.db2.gz CKXJBVKMOBHWMD-QGZVFWFLSA-N 1 2 347.484 1.553 20 30 EDEDLO C#CCSCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160913236 441935810 /nfs/dbraw/zinc/93/58/10/441935810.db2.gz CKXJBVKMOBHWMD-QGZVFWFLSA-N 1 2 347.484 1.553 20 30 EDEDLO CCc1noc(C)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000119969557 441985000 /nfs/dbraw/zinc/98/50/00/441985000.db2.gz HXVOKVBZURLDBS-LBPRGKRZSA-N 1 2 326.404 1.918 20 30 EDEDLO CCc1noc(C)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000119969557 441985004 /nfs/dbraw/zinc/98/50/04/441985004.db2.gz HXVOKVBZURLDBS-LBPRGKRZSA-N 1 2 326.404 1.918 20 30 EDEDLO COc1cc(C#N)ccc1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000120491125 442081318 /nfs/dbraw/zinc/08/13/18/442081318.db2.gz TYAJGIPRTWLRAD-UHFFFAOYSA-N 1 2 342.443 1.307 20 30 EDEDLO COc1cc(C#N)ccc1CN1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000120572178 442095821 /nfs/dbraw/zinc/09/58/21/442095821.db2.gz RAZWIRQAYMBFCN-UHFFFAOYSA-N 1 2 330.432 1.209 20 30 EDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC000120572178 442095827 /nfs/dbraw/zinc/09/58/27/442095827.db2.gz RAZWIRQAYMBFCN-UHFFFAOYSA-N 1 2 330.432 1.209 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000126722204 442137819 /nfs/dbraw/zinc/13/78/19/442137819.db2.gz LAEKNCJLPMLYKJ-ZDUSSCGKSA-N 1 2 337.826 1.735 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2cccs2)CC1 ZINC000121184683 442188867 /nfs/dbraw/zinc/18/88/67/442188867.db2.gz HQKMTBKDZJIMTG-UHFFFAOYSA-N 1 2 331.445 1.526 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000164387984 442195991 /nfs/dbraw/zinc/19/59/91/442195991.db2.gz XGLZCQZFYWBVQE-UHFFFAOYSA-N 1 2 325.459 1.499 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000166150459 442214036 /nfs/dbraw/zinc/21/40/36/442214036.db2.gz LCHOTPNMVCMTDZ-HNNXBMFYSA-N 1 2 342.424 1.901 20 30 EDEDLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000171401458 442345355 /nfs/dbraw/zinc/34/53/55/442345355.db2.gz KJKBHHBTNAODPQ-MRXNPFEDSA-N 1 2 328.416 1.534 20 30 EDEDLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000171401458 442345358 /nfs/dbraw/zinc/34/53/58/442345358.db2.gz KJKBHHBTNAODPQ-MRXNPFEDSA-N 1 2 328.416 1.534 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000154664890 442350891 /nfs/dbraw/zinc/35/08/91/442350891.db2.gz ZPRZSGXJWONWJF-UHFFFAOYSA-N 1 2 330.388 1.529 20 30 EDEDLO N#CCCn1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000130600357 442351155 /nfs/dbraw/zinc/35/11/55/442351155.db2.gz GMIHCGZJEPOUML-CQSZACIVSA-N 1 2 326.360 1.877 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(C)C(=O)C1(C)C ZINC000132400039 442392822 /nfs/dbraw/zinc/39/28/22/442392822.db2.gz YYNLMFNGRPTJSU-MRXNPFEDSA-N 1 2 332.444 1.707 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000132400039 442392826 /nfs/dbraw/zinc/39/28/26/442392826.db2.gz YYNLMFNGRPTJSU-MRXNPFEDSA-N 1 2 332.444 1.707 20 30 EDEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000186170175 442477720 /nfs/dbraw/zinc/47/77/20/442477720.db2.gz UQNZNYKMYZEMSU-UHFFFAOYSA-N 1 2 340.427 1.133 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000156841590 442526011 /nfs/dbraw/zinc/52/60/11/442526011.db2.gz WDWZZWKLDPJCEL-AWEZNQCLSA-N 1 2 348.410 1.939 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000156841590 442526017 /nfs/dbraw/zinc/52/60/17/442526017.db2.gz WDWZZWKLDPJCEL-AWEZNQCLSA-N 1 2 348.410 1.939 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000158163181 442650814 /nfs/dbraw/zinc/65/08/14/442650814.db2.gz OEEKIMCCXRTOOO-KRWDZBQOSA-N 1 2 343.427 1.780 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000158163181 442650819 /nfs/dbraw/zinc/65/08/19/442650819.db2.gz OEEKIMCCXRTOOO-KRWDZBQOSA-N 1 2 343.427 1.780 20 30 EDEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000192480946 442652060 /nfs/dbraw/zinc/65/20/60/442652060.db2.gz GWRHRPZDNNYWJP-UHFFFAOYSA-N 1 2 342.403 1.456 20 30 EDEDLO C[C@H](C[S@](C)=O)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000181285238 442687984 /nfs/dbraw/zinc/68/79/84/442687984.db2.gz NZTCEVGNFXRXKS-JNDILOIQSA-N 1 2 346.456 1.413 20 30 EDEDLO CC(C)C[C@@H](CNC(=O)c1ccc(C#N)c(O)c1)[NH+]1CCOCC1 ZINC000188244969 442728458 /nfs/dbraw/zinc/72/84/58/442728458.db2.gz ODMMEUYWKAXSPG-INIZCTEOSA-N 1 2 331.416 1.741 20 30 EDEDLO Cc1ccc([C@H](CNC(=O)NC[C@H](C)C#N)[NH+]2CCOCC2)cc1 ZINC000182595316 442792919 /nfs/dbraw/zinc/79/29/19/442792919.db2.gz RNTAZOUQDCWGLE-WBVHZDCISA-N 1 2 330.432 1.827 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(O)CCCCC3)CC2)cc1 ZINC000267942988 442795356 /nfs/dbraw/zinc/79/53/56/442795356.db2.gz SXLNSBGECGMIMY-UHFFFAOYSA-N 1 2 327.428 1.898 20 30 EDEDLO C[C@@H](C#N)CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000182394603 442763295 /nfs/dbraw/zinc/76/32/95/442763295.db2.gz SBFMMHVUWHQWAJ-AWEZNQCLSA-N 1 2 343.431 1.548 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246810667 442814861 /nfs/dbraw/zinc/81/48/61/442814861.db2.gz AAUSVJCSBHGQED-GAJHUEQPSA-N 1 2 335.473 1.910 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246810667 442814867 /nfs/dbraw/zinc/81/48/67/442814867.db2.gz AAUSVJCSBHGQED-GAJHUEQPSA-N 1 2 335.473 1.910 20 30 EDEDLO C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C(N)=O)C1 ZINC000248708931 442919926 /nfs/dbraw/zinc/91/99/26/442919926.db2.gz BNDACBIZESLXMG-KBRIMQKVSA-N 1 2 340.427 1.639 20 30 EDEDLO C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C(N)=O)C1 ZINC000248708931 442919930 /nfs/dbraw/zinc/91/99/30/442919930.db2.gz BNDACBIZESLXMG-KBRIMQKVSA-N 1 2 340.427 1.639 20 30 EDEDLO COc1cc(C#N)ccc1OCCO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000265815136 442931274 /nfs/dbraw/zinc/93/12/74/442931274.db2.gz GORCGYAROPZMEC-UHFFFAOYSA-N 1 2 334.376 1.149 20 30 EDEDLO CC(C)(CNC(=O)C1(c2ccc(C#N)cc2)CC1)[NH+]1CCOCC1 ZINC000187190647 318553554 /nfs/dbraw/zinc/55/35/54/318553554.db2.gz JMHZFYMFWBUCGG-UHFFFAOYSA-N 1 2 327.428 1.817 20 30 EDEDLO Cc1nc(N2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000184927735 443100349 /nfs/dbraw/zinc/10/03/49/443100349.db2.gz IJWIXKMTYRDVNG-UHFFFAOYSA-N 1 2 336.399 1.689 20 30 EDEDLO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1O ZINC000610989494 450399505 /nfs/dbraw/zinc/39/95/05/450399505.db2.gz SBCGLYYTCUKTAR-UHFFFAOYSA-N 1 2 327.388 1.499 20 30 EDEDLO CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000245726729 443245840 /nfs/dbraw/zinc/24/58/40/443245840.db2.gz BRXJJHVWMUGPNZ-ILXRZTDVSA-N 1 2 331.416 1.813 20 30 EDEDLO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000245726729 443245843 /nfs/dbraw/zinc/24/58/43/443245843.db2.gz BRXJJHVWMUGPNZ-ILXRZTDVSA-N 1 2 331.416 1.813 20 30 EDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000245726742 443246059 /nfs/dbraw/zinc/24/60/59/443246059.db2.gz BRXJJHVWMUGPNZ-RBSFLKMASA-N 1 2 331.416 1.813 20 30 EDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000245726742 443246066 /nfs/dbraw/zinc/24/60/66/443246066.db2.gz BRXJJHVWMUGPNZ-RBSFLKMASA-N 1 2 331.416 1.813 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@H](C#N)C1)c1ccccc1F ZINC000264398744 443277521 /nfs/dbraw/zinc/27/75/21/443277521.db2.gz OLMMYCSKDRPYPL-IUODEOHRSA-N 1 2 343.362 1.583 20 30 EDEDLO N#C[C@@H]1CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCO1 ZINC000264430126 443289532 /nfs/dbraw/zinc/28/95/32/443289532.db2.gz WUCULMZDNZITSW-MRXNPFEDSA-N 1 2 325.372 1.365 20 30 EDEDLO NC(COc1ccc(Cl)cc1Cl)=[NH+]OC[C@@H]1CNC(=O)O1 ZINC000282385695 443323460 /nfs/dbraw/zinc/32/34/60/443323460.db2.gz ZJGBMHQGJDNCNO-QMMMGPOBSA-N 1 2 334.159 1.769 20 30 EDEDLO COCC[N@H+](CCO)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000267075063 443333183 /nfs/dbraw/zinc/33/31/83/443333183.db2.gz WNSHNEKDJUXYPL-UHFFFAOYSA-N 1 2 333.432 1.491 20 30 EDEDLO COCC[N@@H+](CCO)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000267075063 443333189 /nfs/dbraw/zinc/33/31/89/443333189.db2.gz WNSHNEKDJUXYPL-UHFFFAOYSA-N 1 2 333.432 1.491 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000264685469 443373740 /nfs/dbraw/zinc/37/37/40/443373740.db2.gz CAPUGEXOQPQSSO-DOMZBBRYSA-N 1 2 333.819 1.515 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000264685469 443373748 /nfs/dbraw/zinc/37/37/48/443373748.db2.gz CAPUGEXOQPQSSO-DOMZBBRYSA-N 1 2 333.819 1.515 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+](CCO)Cc3cccnc3)C2=O)cc1 ZINC000269572372 443351769 /nfs/dbraw/zinc/35/17/69/443351769.db2.gz BHMLLEBFWPECSJ-SFHVURJKSA-N 1 2 336.395 1.553 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+](CCO)Cc3cccnc3)C2=O)cc1 ZINC000269572372 443351774 /nfs/dbraw/zinc/35/17/74/443351774.db2.gz BHMLLEBFWPECSJ-SFHVURJKSA-N 1 2 336.395 1.553 20 30 EDEDLO COC(C[N@H+](CCCO)CC(=O)Nc1oc(C)c(C)c1C#N)OC ZINC000272780013 443442786 /nfs/dbraw/zinc/44/27/86/443442786.db2.gz YLXDIHKKMSJWIV-UHFFFAOYSA-N 1 2 339.392 1.010 20 30 EDEDLO COC(C[N@@H+](CCCO)CC(=O)Nc1oc(C)c(C)c1C#N)OC ZINC000272780013 443442791 /nfs/dbraw/zinc/44/27/91/443442791.db2.gz YLXDIHKKMSJWIV-UHFFFAOYSA-N 1 2 339.392 1.010 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000267481043 443472974 /nfs/dbraw/zinc/47/29/74/443472974.db2.gz JCWNXVAZKYFKIZ-UHFFFAOYSA-N 1 2 329.404 1.166 20 30 EDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000267540875 443490331 /nfs/dbraw/zinc/49/03/31/443490331.db2.gz PKORINZQOPAILP-CQSZACIVSA-N 1 2 343.349 1.706 20 30 EDEDLO CO/N=C/C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000282920449 443470589 /nfs/dbraw/zinc/47/05/89/443470589.db2.gz ISQYDFWHYWQKBG-ZNBBLSJYSA-N 1 2 332.360 1.275 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CC2CCS(=O)(=O)CC2)c1 ZINC000271353547 443502371 /nfs/dbraw/zinc/50/23/71/443502371.db2.gz YZMIRBCTCPFQEO-UHFFFAOYSA-N 1 2 334.441 1.363 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CC2CCS(=O)(=O)CC2)c1 ZINC000271353547 443502373 /nfs/dbraw/zinc/50/23/73/443502373.db2.gz YZMIRBCTCPFQEO-UHFFFAOYSA-N 1 2 334.441 1.363 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000271385538 443503194 /nfs/dbraw/zinc/50/31/94/443503194.db2.gz UKXQUFPGFFOTGR-GFCCVEGCSA-N 1 2 345.399 1.232 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000271385538 443503197 /nfs/dbraw/zinc/50/31/97/443503197.db2.gz UKXQUFPGFFOTGR-GFCCVEGCSA-N 1 2 345.399 1.232 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000271519037 443505095 /nfs/dbraw/zinc/50/50/95/443505095.db2.gz IZYXLYIDYKLHSQ-UHFFFAOYSA-N 1 2 331.342 1.639 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000271519037 443505098 /nfs/dbraw/zinc/50/50/98/443505098.db2.gz IZYXLYIDYKLHSQ-UHFFFAOYSA-N 1 2 331.342 1.639 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000273109611 443540248 /nfs/dbraw/zinc/54/02/48/443540248.db2.gz NMZXMVXGGMPHOU-XJKSGUPXSA-N 1 2 325.359 1.642 20 30 EDEDLO CC(C)[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1nc(C2CC2)no1 ZINC000272005114 443521208 /nfs/dbraw/zinc/52/12/08/443521208.db2.gz IWPCHSUZRLKCNQ-HNNXBMFYSA-N 1 2 344.419 1.890 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000265185844 443562702 /nfs/dbraw/zinc/56/27/02/443562702.db2.gz QYBUQRYBJULQGY-CVEARBPZSA-N 1 2 345.443 1.607 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CCC)CC(=O)OC(C)(C)C ZINC000273439596 443572457 /nfs/dbraw/zinc/57/24/57/443572457.db2.gz NBEWWQTWBIZFJZ-LBPRGKRZSA-N 1 2 327.425 1.440 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CCC)CC(=O)OC(C)(C)C ZINC000273439596 443572461 /nfs/dbraw/zinc/57/24/61/443572461.db2.gz NBEWWQTWBIZFJZ-LBPRGKRZSA-N 1 2 327.425 1.440 20 30 EDEDLO Cn1cc(C[NH+]2CCN(CCO)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272329511 443593591 /nfs/dbraw/zinc/59/35/91/443593591.db2.gz WDGPEFKBAZDRQJ-UHFFFAOYSA-N 1 2 325.416 1.069 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(OCC)ccc2[N+](=O)[O-])CC1 ZINC000283549724 443659085 /nfs/dbraw/zinc/65/90/85/443659085.db2.gz TWFIXEACMLGSQO-UHFFFAOYSA-N 1 2 331.372 1.775 20 30 EDEDLO CC(C)(CNC(=O)CSc1ccc(C#N)cn1)[NH+]1CCOCC1 ZINC000298321353 443745934 /nfs/dbraw/zinc/74/59/34/443745934.db2.gz UROWSKLDNCBKGO-UHFFFAOYSA-N 1 2 334.445 1.272 20 30 EDEDLO C=C[C@H](CO)NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000290968909 443723136 /nfs/dbraw/zinc/72/31/36/443723136.db2.gz IJJKYJMWPYLGAH-MCIONIFRSA-N 1 2 339.461 1.356 20 30 EDEDLO C=C[C@H](CO)NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000290968909 443723139 /nfs/dbraw/zinc/72/31/39/443723139.db2.gz IJJKYJMWPYLGAH-MCIONIFRSA-N 1 2 339.461 1.356 20 30 EDEDLO N#Cc1cc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)ccc1F ZINC000283820895 443730702 /nfs/dbraw/zinc/73/07/02/443730702.db2.gz KBMYTZGNFMMUKL-UHFFFAOYSA-N 1 2 340.358 1.859 20 30 EDEDLO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292269413 443787841 /nfs/dbraw/zinc/78/78/41/443787841.db2.gz SBJCILZSWQLGGL-ZDUSSCGKSA-N 1 2 345.403 1.031 20 30 EDEDLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292269413 443787847 /nfs/dbraw/zinc/78/78/47/443787847.db2.gz SBJCILZSWQLGGL-ZDUSSCGKSA-N 1 2 345.403 1.031 20 30 EDEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1c[nH+]cn1C ZINC000291138849 443750093 /nfs/dbraw/zinc/75/00/93/443750093.db2.gz FTNYULQVBPKZJP-UHFFFAOYSA-N 1 2 337.387 1.200 20 30 EDEDLO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@H](C)OC ZINC000291275666 443754667 /nfs/dbraw/zinc/75/46/67/443754667.db2.gz PXKKFZSHTYKCKW-JSGCOSHPSA-N 1 2 342.399 1.868 20 30 EDEDLO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@H](C)OC ZINC000291275666 443754670 /nfs/dbraw/zinc/75/46/70/443754670.db2.gz PXKKFZSHTYKCKW-JSGCOSHPSA-N 1 2 342.399 1.868 20 30 EDEDLO C=CCNC(=O)C[NH+](CCc1ccc(F)cc1)CC(=O)NCC=C ZINC000298404651 443762257 /nfs/dbraw/zinc/76/22/57/443762257.db2.gz HTDQYBADEOWESY-UHFFFAOYSA-N 1 2 333.407 1.275 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])cnc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000298412967 443764747 /nfs/dbraw/zinc/76/47/47/443764747.db2.gz IXNSOHJOJMNOGM-UHFFFAOYSA-N 1 2 340.343 1.705 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCOc2ccccc2C#N)C1 ZINC000284484870 443776713 /nfs/dbraw/zinc/77/67/13/443776713.db2.gz CDHMLTQHBNLNKN-CABCVRRESA-N 1 2 327.388 1.826 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000284484870 443776714 /nfs/dbraw/zinc/77/67/14/443776714.db2.gz CDHMLTQHBNLNKN-CABCVRRESA-N 1 2 327.388 1.826 20 30 EDEDLO COCC(C)(C)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000292133420 443777606 /nfs/dbraw/zinc/77/76/06/443777606.db2.gz LOKGAVUPEKCTRD-CYBMUJFWSA-N 1 2 342.399 1.868 20 30 EDEDLO COCC(C)(C)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000292133420 443777612 /nfs/dbraw/zinc/77/76/12/443777612.db2.gz LOKGAVUPEKCTRD-CYBMUJFWSA-N 1 2 342.399 1.868 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000284647703 443782753 /nfs/dbraw/zinc/78/27/53/443782753.db2.gz PFFRXHNEJWDHTC-PMPSAXMXSA-N 1 2 327.388 1.480 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000284647703 443782758 /nfs/dbraw/zinc/78/27/58/443782758.db2.gz PFFRXHNEJWDHTC-PMPSAXMXSA-N 1 2 327.388 1.480 20 30 EDEDLO C=CCC(C)(C)CNC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000292782746 443842075 /nfs/dbraw/zinc/84/20/75/443842075.db2.gz QVINRMAFNIJAFY-IUODEOHRSA-N 1 2 333.436 1.641 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)C1=O ZINC000281197651 443845201 /nfs/dbraw/zinc/84/52/01/443845201.db2.gz CFETVJCVVCOXHM-DGCLKSJQSA-N 1 2 336.823 1.781 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)C1=O ZINC000281197651 443845205 /nfs/dbraw/zinc/84/52/05/443845205.db2.gz CFETVJCVVCOXHM-DGCLKSJQSA-N 1 2 336.823 1.781 20 30 EDEDLO N#CCCCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000292640986 443805533 /nfs/dbraw/zinc/80/55/33/443805533.db2.gz OSKUTBFOGMPDEY-UHFFFAOYSA-N 1 2 328.416 1.900 20 30 EDEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000276880631 443862187 /nfs/dbraw/zinc/86/21/87/443862187.db2.gz AUGHMEBLSXXSHD-NSHDSACASA-N 1 2 332.356 1.152 20 30 EDEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000276880631 443862190 /nfs/dbraw/zinc/86/21/90/443862190.db2.gz AUGHMEBLSXXSHD-NSHDSACASA-N 1 2 332.356 1.152 20 30 EDEDLO COc1cccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1OC ZINC000298791461 443869460 /nfs/dbraw/zinc/86/94/60/443869460.db2.gz FPXDBBSHUKXUCT-UHFFFAOYSA-N 1 2 347.415 1.392 20 30 EDEDLO Cc1noc(C2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)n1 ZINC000299071482 443945692 /nfs/dbraw/zinc/94/56/92/443945692.db2.gz OVIWCBWZOXZVBF-UHFFFAOYSA-N 1 2 339.399 1.746 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2nc(-c3cccnc3)no2)C1=O ZINC000281489247 443925009 /nfs/dbraw/zinc/92/50/09/443925009.db2.gz XHEKQPHJPUZVAF-TZMCWYRMSA-N 1 2 327.388 1.911 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2nc(-c3cccnc3)no2)C1=O ZINC000281489247 443925013 /nfs/dbraw/zinc/92/50/13/443925013.db2.gz XHEKQPHJPUZVAF-TZMCWYRMSA-N 1 2 327.388 1.911 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1=O ZINC000281518942 443933927 /nfs/dbraw/zinc/93/39/27/443933927.db2.gz ZFHGBFZYULSGRY-WFASDCNBSA-N 1 2 344.415 1.814 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1=O ZINC000281518942 443933931 /nfs/dbraw/zinc/93/39/31/443933931.db2.gz ZFHGBFZYULSGRY-WFASDCNBSA-N 1 2 344.415 1.814 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc(OC)cc3)CC2)C1=O ZINC000282120892 444091685 /nfs/dbraw/zinc/09/16/85/444091685.db2.gz XVNSXFITNAXRAU-KRWDZBQOSA-N 1 2 343.427 1.240 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](c3nnc[nH]3)C2)C1=O ZINC000564881070 321154048 /nfs/dbraw/zinc/15/40/48/321154048.db2.gz LSFPHMSAKGEYIF-RYUDHWBXSA-N 1 2 328.401 1.333 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](c3nnc[nH]3)C2)C1=O ZINC000564881070 321154049 /nfs/dbraw/zinc/15/40/49/321154049.db2.gz LSFPHMSAKGEYIF-RYUDHWBXSA-N 1 2 328.401 1.333 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)NCc2c[nH+]ccc2OC)n1 ZINC000294201164 444105751 /nfs/dbraw/zinc/10/57/51/444105751.db2.gz LALPVOZMBJTMTN-UHFFFAOYSA-N 1 2 327.388 1.652 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1CC(=O)Nc1cccc(C#N)c1 ZINC000285812562 444115335 /nfs/dbraw/zinc/11/53/35/444115335.db2.gz GKBWRAFDFZRXEC-WMLDXEAASA-N 1 2 328.416 1.292 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cn(-c3cccc(OC)c3)nn2)CC1 ZINC000294652873 444133692 /nfs/dbraw/zinc/13/36/92/444133692.db2.gz USRGDHBLFCMRHA-UHFFFAOYSA-N 1 2 339.399 1.057 20 30 EDEDLO CO[C@@H]1COC[C@H]1n1cc(C[NH2+]Cc2ccc(C#N)cc2F)nn1 ZINC000289420520 444137827 /nfs/dbraw/zinc/13/78/27/444137827.db2.gz BIQRKKABORWZHR-HZPDHXFCSA-N 1 2 331.351 1.165 20 30 EDEDLO C[NH+]1CCC(n2ccc(NS(=O)(=O)c3cccc(C#N)c3)n2)CC1 ZINC000575826579 321530141 /nfs/dbraw/zinc/53/01/41/321530141.db2.gz AXQFDQZGIVVJRE-UHFFFAOYSA-N 1 2 345.428 1.822 20 30 EDEDLO CSC[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289634071 444183556 /nfs/dbraw/zinc/18/35/56/444183556.db2.gz BTFQXFSOISHVRO-CYBMUJFWSA-N 1 2 325.459 1.554 20 30 EDEDLO CSC[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289634071 444183558 /nfs/dbraw/zinc/18/35/58/444183558.db2.gz BTFQXFSOISHVRO-CYBMUJFWSA-N 1 2 325.459 1.554 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1N(C(=O)C(=O)Nc2cccc(C#N)c2)CC1(C)C ZINC000296362366 444223575 /nfs/dbraw/zinc/22/35/75/444223575.db2.gz ZQUFLUBWSCQXRL-CQSZACIVSA-N 1 2 337.383 1.840 20 30 EDEDLO C#Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000297710275 444322256 /nfs/dbraw/zinc/32/22/56/444322256.db2.gz RSPPQLGDWNCGMN-SFHVURJKSA-N 1 2 327.428 1.674 20 30 EDEDLO COCC1(O)C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000297284067 444280875 /nfs/dbraw/zinc/28/08/75/444280875.db2.gz AIXVDZSJGZYWFJ-UHFFFAOYSA-N 1 2 326.400 1.657 20 30 EDEDLO C[C@]1(O)CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC000328797914 444356472 /nfs/dbraw/zinc/35/64/72/444356472.db2.gz WEZJCLVTGMEAAM-YJBOKZPZSA-N 1 2 348.447 1.841 20 30 EDEDLO C[C@]1(O)CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1 ZINC000328797914 444356474 /nfs/dbraw/zinc/35/64/74/444356474.db2.gz WEZJCLVTGMEAAM-YJBOKZPZSA-N 1 2 348.447 1.841 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCNC(=O)c3ccsc3)C[C@@H]21 ZINC000328923796 444404348 /nfs/dbraw/zinc/40/43/48/444404348.db2.gz VBFJJYBOAUIZCK-UONOGXRCSA-N 1 2 337.445 1.374 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCNC(=O)c3ccsc3)C[C@@H]21 ZINC000328923796 444404354 /nfs/dbraw/zinc/40/43/54/444404354.db2.gz VBFJJYBOAUIZCK-UONOGXRCSA-N 1 2 337.445 1.374 20 30 EDEDLO C[N@H+]1CCN(CC/[NH+]=C(/[O-])Cc2cn3ccsc3n2)CC1(C)C ZINC000328651665 444414930 /nfs/dbraw/zinc/41/49/30/444414930.db2.gz BPYPNINWLZMIIJ-UHFFFAOYSA-N 1 2 335.477 1.921 20 30 EDEDLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000328946423 444416711 /nfs/dbraw/zinc/41/67/11/444416711.db2.gz VJXKILMTSHZDCJ-ZIAGYGMSSA-N 1 2 345.447 1.097 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2cc3c(cc2Cl)OCO3)C1 ZINC000328895345 444391981 /nfs/dbraw/zinc/39/19/81/444391981.db2.gz WEBOKKFTICLEMI-SNVBAGLBSA-N 1 2 340.811 1.640 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2cc3c(cc2Cl)OCO3)C1 ZINC000328895345 444391983 /nfs/dbraw/zinc/39/19/83/444391983.db2.gz WEBOKKFTICLEMI-SNVBAGLBSA-N 1 2 340.811 1.640 20 30 EDEDLO CCn1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)c(C(F)(F)F)n1 ZINC000331220165 444448495 /nfs/dbraw/zinc/44/84/95/444448495.db2.gz JFWLWTXMPDWACB-SNVBAGLBSA-N 1 2 334.342 1.947 20 30 EDEDLO CCn1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)c(C(F)(F)F)n1 ZINC000331220165 444448497 /nfs/dbraw/zinc/44/84/97/444448497.db2.gz JFWLWTXMPDWACB-SNVBAGLBSA-N 1 2 334.342 1.947 20 30 EDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000329025140 444450228 /nfs/dbraw/zinc/45/02/28/444450228.db2.gz NPPRYHQQQVUYRP-UMVBOHGHSA-N 1 2 328.416 1.874 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329036894 444453529 /nfs/dbraw/zinc/45/35/29/444453529.db2.gz NCORABLPHYHORZ-BWRBCVJASA-N 1 2 346.475 1.612 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000329036894 444453530 /nfs/dbraw/zinc/45/35/30/444453530.db2.gz NCORABLPHYHORZ-BWRBCVJASA-N 1 2 346.475 1.612 20 30 EDEDLO C=CCn1c(CC(C)(C)C)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000337918204 444459614 /nfs/dbraw/zinc/45/96/14/444459614.db2.gz WLJCAMWDOAWCPF-UHFFFAOYSA-N 1 2 348.495 1.311 20 30 EDEDLO CC(C)(CC#N)CS(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000331325553 444465813 /nfs/dbraw/zinc/46/58/13/444465813.db2.gz MLLXRONICVCLAC-OAHLLOKOSA-N 1 2 343.493 1.300 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cn1 ZINC000337846136 444434778 /nfs/dbraw/zinc/43/47/78/444434778.db2.gz OZDIEAPJJRCMEH-UHFFFAOYSA-N 1 2 347.787 1.733 20 30 EDEDLO Cc1cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)nn1CCC#N ZINC000331758095 444487085 /nfs/dbraw/zinc/48/70/85/444487085.db2.gz MSMNMADCDAWGCU-ZDUSSCGKSA-N 1 2 327.392 2.240 20 30 EDEDLO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329166743 444489654 /nfs/dbraw/zinc/48/96/54/444489654.db2.gz IEHPRMGYUIEDHV-CORIIIEPSA-N 1 2 340.420 1.790 20 30 EDEDLO C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329166743 444489655 /nfs/dbraw/zinc/48/96/55/444489655.db2.gz IEHPRMGYUIEDHV-CORIIIEPSA-N 1 2 340.420 1.790 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329191774 444496387 /nfs/dbraw/zinc/49/63/87/444496387.db2.gz QOONEQZWAKKKPJ-XQQFMLRXSA-N 1 2 345.407 1.000 20 30 EDEDLO CCn1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)ccc1=O ZINC000329206791 444501758 /nfs/dbraw/zinc/50/17/58/444501758.db2.gz YICVNWQNHAEWBB-HIFRSBDPSA-N 1 2 334.420 1.209 20 30 EDEDLO NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)O1 ZINC000329243851 444511079 /nfs/dbraw/zinc/51/10/79/444511079.db2.gz PKKZQLFPUBZDBI-YWPYICTPSA-N 1 2 343.449 1.234 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000329258721 444514628 /nfs/dbraw/zinc/51/46/28/444514628.db2.gz CLTRBEAEAAFBHJ-SNPRPXQTSA-N 1 2 333.436 1.496 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(S(=O)(=O)N2CCc3ccccc3C2)CC1 ZINC000332500553 444516896 /nfs/dbraw/zinc/51/68/96/444516896.db2.gz CYTAVOUHNXILRW-UHFFFAOYSA-N 1 2 348.472 1.209 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342185869 444554028 /nfs/dbraw/zinc/55/40/28/444554028.db2.gz UAJVTNIJXSAVRJ-GFCCVEGCSA-N 1 2 330.344 1.695 20 30 EDEDLO Cn1nnnc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000329381508 444557496 /nfs/dbraw/zinc/55/74/96/444557496.db2.gz NYGMMEUYHDPURL-UHFFFAOYSA-N 1 2 334.449 1.683 20 30 EDEDLO CC[C@@H]1CCCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329448720 444584099 /nfs/dbraw/zinc/58/40/99/444584099.db2.gz OINKGLQDWWROAJ-OAHLLOKOSA-N 1 2 345.447 1.889 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000342224128 444573753 /nfs/dbraw/zinc/57/37/53/444573753.db2.gz CCSWTFXLVYPAQI-UHFFFAOYSA-N 1 2 341.375 1.104 20 30 EDEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)[nH]1 ZINC000329424777 444575169 /nfs/dbraw/zinc/57/51/69/444575169.db2.gz GOPBTZJGTHFOHU-OAHLLOKOSA-N 1 2 344.463 1.977 20 30 EDEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)[nH]1 ZINC000329424777 444575174 /nfs/dbraw/zinc/57/51/74/444575174.db2.gz GOPBTZJGTHFOHU-OAHLLOKOSA-N 1 2 344.463 1.977 20 30 EDEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n1 ZINC000329424777 444575179 /nfs/dbraw/zinc/57/51/79/444575179.db2.gz GOPBTZJGTHFOHU-OAHLLOKOSA-N 1 2 344.463 1.977 20 30 EDEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n1 ZINC000329424777 444575183 /nfs/dbraw/zinc/57/51/83/444575183.db2.gz GOPBTZJGTHFOHU-OAHLLOKOSA-N 1 2 344.463 1.977 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n[nH]1 ZINC000329424777 444575189 /nfs/dbraw/zinc/57/51/89/444575189.db2.gz GOPBTZJGTHFOHU-OAHLLOKOSA-N 1 2 344.463 1.977 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n[nH]1 ZINC000329424777 444575194 /nfs/dbraw/zinc/57/51/94/444575194.db2.gz GOPBTZJGTHFOHU-OAHLLOKOSA-N 1 2 344.463 1.977 20 30 EDEDLO Cc1nn(C)c(C)c1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000338183169 444552623 /nfs/dbraw/zinc/55/26/23/444552623.db2.gz YHXXHYWKESLNHQ-LIRRHRJNSA-N 1 2 335.411 1.882 20 30 EDEDLO Cc1nn(C)c(C)c1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000338183169 444552627 /nfs/dbraw/zinc/55/26/27/444552627.db2.gz YHXXHYWKESLNHQ-LIRRHRJNSA-N 1 2 335.411 1.882 20 30 EDEDLO C[C@H]1CCCN1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329457479 444587704 /nfs/dbraw/zinc/58/77/04/444587704.db2.gz QNAZHJUKGYILST-ZDUSSCGKSA-N 1 2 331.420 1.499 20 30 EDEDLO Cn1cnn(CC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)c1=O ZINC000329471940 444594301 /nfs/dbraw/zinc/59/43/01/444594301.db2.gz ZXHMENJNHOTNGU-NSHDSACASA-N 1 2 332.408 1.047 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC000333359399 444660997 /nfs/dbraw/zinc/66/09/97/444660997.db2.gz GXPFRPMIPMTCRH-NWANDNLSSA-N 1 2 331.420 1.879 20 30 EDEDLO C=CCC(CC=C)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341118773 444682577 /nfs/dbraw/zinc/68/25/77/444682577.db2.gz MNVRPMHQXREFPR-HNNXBMFYSA-N 1 2 330.432 1.796 20 30 EDEDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329576152 444633548 /nfs/dbraw/zinc/63/35/48/444633548.db2.gz SEMSIZNPQUSIID-ZVZYQTTQSA-N 1 2 345.443 1.767 20 30 EDEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329800596 444721997 /nfs/dbraw/zinc/72/19/97/444721997.db2.gz YJOBJTDLVCSVGG-LBPRGKRZSA-N 1 2 326.422 1.080 20 30 EDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CCN1CC(F)F ZINC000329724687 444693298 /nfs/dbraw/zinc/69/32/98/444693298.db2.gz NZTRPNNHFGFLEP-VXGBXAGGSA-N 1 2 341.406 1.842 20 30 EDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CCN1CC(F)F ZINC000329724687 444693301 /nfs/dbraw/zinc/69/33/01/444693301.db2.gz NZTRPNNHFGFLEP-VXGBXAGGSA-N 1 2 341.406 1.842 20 30 EDEDLO COCC1(C#N)CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000341240337 444745149 /nfs/dbraw/zinc/74/51/49/444745149.db2.gz UPVPBUQMXCCJJO-UHFFFAOYSA-N 1 2 338.452 1.059 20 30 EDEDLO CCC(=O)N1CSC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000329890108 444754997 /nfs/dbraw/zinc/75/49/97/444754997.db2.gz FPLHQQOTQNCBBT-GFCCVEGCSA-N 1 2 327.450 1.119 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338623765 444779160 /nfs/dbraw/zinc/77/91/60/444779160.db2.gz CXRPMOLNFNHHKW-HTUOJYHCSA-N 1 2 325.428 1.712 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338623765 444779163 /nfs/dbraw/zinc/77/91/63/444779163.db2.gz CXRPMOLNFNHHKW-HTUOJYHCSA-N 1 2 325.428 1.712 20 30 EDEDLO CC(=O)N1CC(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1 ZINC000329989242 444801101 /nfs/dbraw/zinc/80/11/01/444801101.db2.gz VBRJFPUBDOMNAZ-GOSISDBHSA-N 1 2 345.443 1.803 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC000329992256 444802693 /nfs/dbraw/zinc/80/26/93/444802693.db2.gz XLCPGMDLFAVZHN-DOTOQJQBSA-N 1 2 331.416 1.093 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC000329992256 444802695 /nfs/dbraw/zinc/80/26/95/444802695.db2.gz XLCPGMDLFAVZHN-DOTOQJQBSA-N 1 2 331.416 1.093 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC#Cc1cccc(F)c1 ZINC000338729063 444824172 /nfs/dbraw/zinc/82/41/72/444824172.db2.gz XEKAUXBLXBDNRA-OAHLLOKOSA-N 1 2 333.407 1.539 20 30 EDEDLO C[C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)n1cnc(C#N)n1 ZINC000336893814 444838655 /nfs/dbraw/zinc/83/86/55/444838655.db2.gz PVLMCUBFEVMWJM-CYBMUJFWSA-N 1 2 339.403 1.412 20 30 EDEDLO COCC1(C#N)CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000341496620 444860452 /nfs/dbraw/zinc/86/04/52/444860452.db2.gz JVBJLUGXFJXGDR-HNNXBMFYSA-N 1 2 343.431 1.622 20 30 EDEDLO CN1CCC[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1=O ZINC000330158682 444866769 /nfs/dbraw/zinc/86/67/69/444866769.db2.gz QDJWAFPKAFUINE-INIZCTEOSA-N 1 2 331.416 1.444 20 30 EDEDLO COCC1(C#N)CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000341560333 444895177 /nfs/dbraw/zinc/89/51/77/444895177.db2.gz FBDBOPZSWRNHDO-LSDHHAIUSA-N 1 2 338.452 1.057 20 30 EDEDLO O=C(C[N@@H+]1CCN2C(=O)NC[C@@H]2C1)NC12CC3CC(CC(C3)C1)C2 ZINC000330243098 444903579 /nfs/dbraw/zinc/90/35/79/444903579.db2.gz CKDLZCZSTWHKCX-GNFNDJEDSA-N 1 2 332.448 1.826 20 30 EDEDLO O=C(C[N@H+]1CCN2C(=O)NC[C@@H]2C1)NC12CC3CC(CC(C3)C1)C2 ZINC000330243098 444903580 /nfs/dbraw/zinc/90/35/80/444903580.db2.gz CKDLZCZSTWHKCX-GNFNDJEDSA-N 1 2 332.448 1.826 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1=O ZINC000337042004 444913815 /nfs/dbraw/zinc/91/38/15/444913815.db2.gz BVHSZTTYUQTMML-CJNGLKHVSA-N 1 2 344.459 1.883 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1=O ZINC000337042004 444913819 /nfs/dbraw/zinc/91/38/19/444913819.db2.gz BVHSZTTYUQTMML-CJNGLKHVSA-N 1 2 344.459 1.883 20 30 EDEDLO COC[C@H]1C[C@@H](OC)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000344363570 444920762 /nfs/dbraw/zinc/92/07/62/444920762.db2.gz ZQSBGEPRAQQKSG-HUUCEWRRSA-N 1 2 338.429 1.068 20 30 EDEDLO COC[C@H]1C[C@@H](OC)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000344363570 444920765 /nfs/dbraw/zinc/92/07/65/444920765.db2.gz ZQSBGEPRAQQKSG-HUUCEWRRSA-N 1 2 338.429 1.068 20 30 EDEDLO COCc1ccc(CNC(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000330298870 444927710 /nfs/dbraw/zinc/92/77/10/444927710.db2.gz LXNBKWKUIARCAD-SJORKVTESA-N 1 2 333.432 1.304 20 30 EDEDLO COCc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)cc1 ZINC000330298870 444927711 /nfs/dbraw/zinc/92/77/11/444927711.db2.gz LXNBKWKUIARCAD-SJORKVTESA-N 1 2 333.432 1.304 20 30 EDEDLO COCc1ccc(CNC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1 ZINC000330298870 444927713 /nfs/dbraw/zinc/92/77/13/444927713.db2.gz LXNBKWKUIARCAD-SJORKVTESA-N 1 2 333.432 1.304 20 30 EDEDLO COCc1ccc(CNC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1 ZINC000330298870 444927715 /nfs/dbraw/zinc/92/77/15/444927715.db2.gz LXNBKWKUIARCAD-SJORKVTESA-N 1 2 333.432 1.304 20 30 EDEDLO COC(=O)[C@]1(C)CN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000330406649 444969238 /nfs/dbraw/zinc/96/92/38/444969238.db2.gz IMABIEDWIPJKQE-VMUDFCTBSA-N 1 2 341.452 1.141 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[NH+]1CCOCC1 ZINC000341732380 444976711 /nfs/dbraw/zinc/97/67/11/444976711.db2.gz SRPQVHCTZZYVIU-QGZVFWFLSA-N 1 2 331.416 1.410 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000330545067 445028369 /nfs/dbraw/zinc/02/83/69/445028369.db2.gz ZOKZKWGRXUFTFZ-KDOFPFPSSA-N 1 2 347.438 1.786 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c(F)c1 ZINC000339101569 445033769 /nfs/dbraw/zinc/03/37/69/445033769.db2.gz AOPQIOKBGQKNQB-UHFFFAOYSA-N 1 2 339.374 1.513 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCc2cc(F)cc(F)c2)C1=O ZINC000337224928 444992804 /nfs/dbraw/zinc/99/28/04/444992804.db2.gz NWAFTNWGVKBGAX-HNNXBMFYSA-N 1 2 337.370 1.300 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCc2cc(F)cc(F)c2)C1=O ZINC000337224928 444992806 /nfs/dbraw/zinc/99/28/06/444992806.db2.gz NWAFTNWGVKBGAX-HNNXBMFYSA-N 1 2 337.370 1.300 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000337232131 444996102 /nfs/dbraw/zinc/99/61/02/444996102.db2.gz XUWFNOIXEKCOBD-MRXNPFEDSA-N 1 2 333.480 1.351 20 30 EDEDLO N#Cc1cnn(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000339116159 445039110 /nfs/dbraw/zinc/03/91/10/445039110.db2.gz ZOQNUQMPVDKPBA-UHFFFAOYSA-N 1 2 343.818 1.753 20 30 EDEDLO CO[C@H]1C[C@H](CO)[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000344703797 445134320 /nfs/dbraw/zinc/13/43/20/445134320.db2.gz HEHPSPBOIRYMGH-CABCVRRESA-N 1 2 341.411 1.819 20 30 EDEDLO CO[C@H]1C[C@H](CO)[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000344703797 445134324 /nfs/dbraw/zinc/13/43/24/445134324.db2.gz HEHPSPBOIRYMGH-CABCVRRESA-N 1 2 341.411 1.819 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337470773 445094221 /nfs/dbraw/zinc/09/42/21/445094221.db2.gz VYTXETVXTGAQCJ-INIZCTEOSA-N 1 2 344.459 1.900 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337470773 445094226 /nfs/dbraw/zinc/09/42/26/445094226.db2.gz VYTXETVXTGAQCJ-INIZCTEOSA-N 1 2 344.459 1.900 20 30 EDEDLO CN(C[C@H](O)C(F)(F)F)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000330854259 445167243 /nfs/dbraw/zinc/16/72/43/445167243.db2.gz OUCPNJUYEMFEIW-NSHDSACASA-N 1 2 334.342 1.531 20 30 EDEDLO CN(C)C(=O)Nc1cccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000330895176 445185680 /nfs/dbraw/zinc/18/56/80/445185680.db2.gz KNCSIZSSJSVZQG-INIZCTEOSA-N 1 2 346.431 1.340 20 30 EDEDLO C=CC[C@H](C)NC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000345006856 445156773 /nfs/dbraw/zinc/15/67/73/445156773.db2.gz DFFJRGFNVLYSJB-QEORTHHSSA-N 1 2 345.447 1.878 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(C(=O)NCC[C@H](C)[S@](C)=O)CC1 ZINC000330938797 445197929 /nfs/dbraw/zinc/19/79/29/445197929.db2.gz CECBOSHFCROBHV-PSLXWICFSA-N 1 2 338.477 1.583 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000345771272 445199469 /nfs/dbraw/zinc/19/94/69/445199469.db2.gz NACSFRPTQDIRCS-AWEZNQCLSA-N 1 2 330.407 1.899 20 30 EDEDLO COC(=O)c1sc2[nH]c(C[NH2+][C@@H]3CCC[C@H]3C#N)nc(=O)c2c1C ZINC000347711229 445245822 /nfs/dbraw/zinc/24/58/22/445245822.db2.gz YZVADDLAZWOZIW-VHSXEESVSA-N 1 2 346.412 1.862 20 30 EDEDLO CC[C@@H](NC(=O)N(CCC#N)CC[NH+]1CCOCC1)C(F)(F)F ZINC000347797674 445248402 /nfs/dbraw/zinc/24/84/02/445248402.db2.gz KGZJUICVJRIJCT-GFCCVEGCSA-N 1 2 336.358 1.585 20 30 EDEDLO Cc1onc(CC(=O)NCc2[nH+]ccn2CC(F)(F)F)c1C#N ZINC000354483173 445256807 /nfs/dbraw/zinc/25/68/07/445256807.db2.gz ZICKARCORZCOOH-UHFFFAOYSA-N 1 2 327.266 1.472 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCCCOc3cccc(C#N)c3)C[C@H]21 ZINC000351705554 445282297 /nfs/dbraw/zinc/28/22/97/445282297.db2.gz YMHHSMHSMUHMOK-MSOLQXFVSA-N 1 2 343.427 1.649 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)CCCCOc3cccc(C#N)c3)C[C@H]21 ZINC000351705554 445282299 /nfs/dbraw/zinc/28/22/99/445282299.db2.gz YMHHSMHSMUHMOK-MSOLQXFVSA-N 1 2 343.427 1.649 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2cscc2C#N)C1 ZINC000348290563 445340181 /nfs/dbraw/zinc/34/01/81/445340181.db2.gz CHROCKIMEDGQLE-ZDUSSCGKSA-N 1 2 327.413 1.756 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2cscc2C#N)C1 ZINC000348290563 445340183 /nfs/dbraw/zinc/34/01/83/445340183.db2.gz CHROCKIMEDGQLE-ZDUSSCGKSA-N 1 2 327.413 1.756 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000348997392 445470507 /nfs/dbraw/zinc/47/05/07/445470507.db2.gz YPNBXDGBUQCEGE-UHFFFAOYSA-N 1 2 342.399 1.197 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000352314809 445519582 /nfs/dbraw/zinc/51/95/82/445519582.db2.gz LKNWFDGUOKHJKV-HUUCEWRRSA-N 1 2 330.432 1.638 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352550244 445537130 /nfs/dbraw/zinc/53/71/30/445537130.db2.gz LQFDMJXFMMSLRT-LSDHHAIUSA-N 1 2 345.509 1.155 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352550244 445537134 /nfs/dbraw/zinc/53/71/34/445537134.db2.gz LQFDMJXFMMSLRT-LSDHHAIUSA-N 1 2 345.509 1.155 20 30 EDEDLO C=CCCCCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000352898268 445563963 /nfs/dbraw/zinc/56/39/63/445563963.db2.gz BYJUDVYTRDPRKW-UHFFFAOYSA-N 1 2 345.447 1.947 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]CC(=O)N2CCc3ccccc3C2)C(N)=O)cc1 ZINC000360060070 445549196 /nfs/dbraw/zinc/54/91/96/445549196.db2.gz KUOQGBWCDSIMMG-IBGZPJMESA-N 1 2 348.406 1.259 20 30 EDEDLO C=CCCC1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000356084721 445610517 /nfs/dbraw/zinc/61/05/17/445610517.db2.gz DWEVYXYQZKCRMQ-UHFFFAOYSA-N 1 2 333.476 1.890 20 30 EDEDLO C=CCCC1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000356084721 445610522 /nfs/dbraw/zinc/61/05/22/445610522.db2.gz DWEVYXYQZKCRMQ-UHFFFAOYSA-N 1 2 333.476 1.890 20 30 EDEDLO C=C[C@H](CO)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000358541372 445642344 /nfs/dbraw/zinc/64/23/44/445642344.db2.gz VGQPZMNNZPMEGY-SJORKVTESA-N 1 2 333.432 1.214 20 30 EDEDLO CC(C)(CCC#N)CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000360404867 445705629 /nfs/dbraw/zinc/70/56/29/445705629.db2.gz BGZCPSUUHUJEBZ-UHFFFAOYSA-N 1 2 329.448 1.650 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000356270456 445710234 /nfs/dbraw/zinc/71/02/34/445710234.db2.gz CKCVCUAMAGNHIO-DLBZAZTESA-N 1 2 326.437 1.236 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1C#N ZINC000349757063 445668148 /nfs/dbraw/zinc/66/81/48/445668148.db2.gz JNBGLPKSKPKDAM-GXFFZTMASA-N 1 2 334.445 1.793 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1C#N ZINC000349757063 445668152 /nfs/dbraw/zinc/66/81/52/445668152.db2.gz JNBGLPKSKPKDAM-GXFFZTMASA-N 1 2 334.445 1.793 20 30 EDEDLO Cn1ccnc1CN1C[C@H](F)C[C@@H]1C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356399835 445772568 /nfs/dbraw/zinc/77/25/68/445772568.db2.gz UHFHXNVMHAJTPL-TZMCWYRMSA-N 1 2 348.451 1.793 20 30 EDEDLO Cn1ccnc1CN1C[C@H](F)C[C@@H]1C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356399835 445772571 /nfs/dbraw/zinc/77/25/71/445772571.db2.gz UHFHXNVMHAJTPL-TZMCWYRMSA-N 1 2 348.451 1.793 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCc1cccc(C#N)c1 ZINC000358782100 445772599 /nfs/dbraw/zinc/77/25/99/445772599.db2.gz ARXRMABCHOLQDN-UHFFFAOYSA-N 1 2 330.432 1.511 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCCc1cccc(C#N)c1 ZINC000358782100 445772604 /nfs/dbraw/zinc/77/26/04/445772604.db2.gz ARXRMABCHOLQDN-UHFFFAOYSA-N 1 2 330.432 1.511 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CCC[N@H+](CC(=O)OCC)CC1)OCC ZINC000363443365 445805769 /nfs/dbraw/zinc/80/57/69/445805769.db2.gz WRNSDZJZAWBGSF-HNNXBMFYSA-N 1 2 326.437 1.455 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CCC[N@@H+](CC(=O)OCC)CC1)OCC ZINC000363443365 445805770 /nfs/dbraw/zinc/80/57/70/445805770.db2.gz WRNSDZJZAWBGSF-HNNXBMFYSA-N 1 2 326.437 1.455 20 30 EDEDLO CCOC(=O)[C@H]1CCCCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000363846642 445879204 /nfs/dbraw/zinc/87/92/04/445879204.db2.gz MVQJANFWOWZKNZ-OAHLLOKOSA-N 1 2 334.420 1.450 20 30 EDEDLO CCOC(=O)[C@H]1CCCCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000363846642 445879207 /nfs/dbraw/zinc/87/92/07/445879207.db2.gz MVQJANFWOWZKNZ-OAHLLOKOSA-N 1 2 334.420 1.450 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCN4C(=O)OC[C@@H]4C3)C2=O)cc1 ZINC000365016445 445974825 /nfs/dbraw/zinc/97/48/25/445974825.db2.gz UMURMIGGALAZSR-HOTGVXAUSA-N 1 2 340.383 1.190 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCN4C(=O)OC[C@@H]4C3)C2=O)cc1 ZINC000365016445 445974830 /nfs/dbraw/zinc/97/48/30/445974830.db2.gz UMURMIGGALAZSR-HOTGVXAUSA-N 1 2 340.383 1.190 20 30 EDEDLO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2c2nc(C(N)=O)no2)cc1 ZINC000364715720 445948402 /nfs/dbraw/zinc/94/84/02/445948402.db2.gz TWGCJYYRSPLAAP-HNNXBMFYSA-N 1 2 340.383 1.908 20 30 EDEDLO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C(N)=O)no2)cc1 ZINC000364715720 445948407 /nfs/dbraw/zinc/94/84/07/445948407.db2.gz TWGCJYYRSPLAAP-HNNXBMFYSA-N 1 2 340.383 1.908 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000373272728 446136597 /nfs/dbraw/zinc/13/65/97/446136597.db2.gz UQNPUYRDWFAKNT-RCCFBDPRSA-N 1 2 335.492 1.454 20 30 EDEDLO COc1cncc(N2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)n1 ZINC000369354089 446096705 /nfs/dbraw/zinc/09/67/05/446096705.db2.gz JZBGVFOHYATKQX-UHFFFAOYSA-N 1 2 348.410 1.932 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000359456922 446233609 /nfs/dbraw/zinc/23/36/09/446233609.db2.gz JUNYMJFNAFUHHT-UHFFFAOYSA-N 1 2 333.351 1.769 20 30 EDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000370415433 446269002 /nfs/dbraw/zinc/26/90/02/446269002.db2.gz OAVOYGSLIJANMP-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000370415433 446269007 /nfs/dbraw/zinc/26/90/07/446269007.db2.gz OAVOYGSLIJANMP-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000362225330 446272674 /nfs/dbraw/zinc/27/26/74/446272674.db2.gz QPDFIPDWNHQHIK-OAHLLOKOSA-N 1 2 327.428 1.769 20 30 EDEDLO Cc1cc(C)c(C#N)c(N2CCO[C@H](C[NH+]3CCN(C)CC3)C2)n1 ZINC000373672880 446297264 /nfs/dbraw/zinc/29/72/64/446297264.db2.gz KBNDPDVTVJWJQJ-MRXNPFEDSA-N 1 2 329.448 1.023 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](n3cncn3)C2)c(C#N)c1C ZINC000376338029 446438009 /nfs/dbraw/zinc/43/80/09/446438009.db2.gz YVUXGLISYZGKHY-AAEUAGOBSA-N 1 2 328.376 1.634 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](n3cncn3)C2)c(C#N)c1C ZINC000376338029 446438015 /nfs/dbraw/zinc/43/80/15/446438015.db2.gz YVUXGLISYZGKHY-AAEUAGOBSA-N 1 2 328.376 1.634 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000432302595 446458341 /nfs/dbraw/zinc/45/83/41/446458341.db2.gz NEZYGXJRMGKNGV-UHFFFAOYSA-N 1 2 338.415 1.950 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)N2CCc3c([nH+]cn3C)C2)c(C#N)c1C ZINC000370890082 446500200 /nfs/dbraw/zinc/50/02/00/446500200.db2.gz BRHDZIBNKSGLLW-LLVKDONJSA-N 1 2 327.388 1.887 20 30 EDEDLO CC#CCCNC(=O)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000411421278 446533344 /nfs/dbraw/zinc/53/33/44/446533344.db2.gz RMIAQUKNSMZCAS-UHFFFAOYSA-N 1 2 340.383 1.430 20 30 EDEDLO C=CCCOCCCCC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000433121259 446533960 /nfs/dbraw/zinc/53/39/60/446533960.db2.gz NAULKTGOZYCAFB-INIZCTEOSA-N 1 2 334.464 1.998 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000376554841 446573341 /nfs/dbraw/zinc/57/33/41/446573341.db2.gz SVURWDIQCXXRIY-CYBMUJFWSA-N 1 2 332.429 1.503 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000376554841 446573350 /nfs/dbraw/zinc/57/33/50/446573350.db2.gz SVURWDIQCXXRIY-CYBMUJFWSA-N 1 2 332.429 1.503 20 30 EDEDLO CC[C@H]1CN(C(=O)c2ccc(C#N)c(C)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000371069546 446609473 /nfs/dbraw/zinc/60/94/73/446609473.db2.gz OGQRKEKMDXBVIH-YOEHRIQHSA-N 1 2 328.416 1.445 20 30 EDEDLO COC(=O)c1cc(C#N)c(=O)n(Cc2[nH+]ccn2-c2ccccc2)c1 ZINC000434645499 446658484 /nfs/dbraw/zinc/65/84/84/446658484.db2.gz ZXVKNLUXRBBCSN-UHFFFAOYSA-N 1 2 334.335 1.741 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434693332 446658703 /nfs/dbraw/zinc/65/87/03/446658703.db2.gz DUNHZIMGYLJQRD-MRXNPFEDSA-N 1 2 325.497 1.842 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000434693332 446658709 /nfs/dbraw/zinc/65/87/09/446658709.db2.gz DUNHZIMGYLJQRD-MRXNPFEDSA-N 1 2 325.497 1.842 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435018393 446672247 /nfs/dbraw/zinc/67/22/47/446672247.db2.gz WWDVILIXZOPFAN-OAHLLOKOSA-N 1 2 326.444 1.342 20 30 EDEDLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000411905341 446714749 /nfs/dbraw/zinc/71/47/49/446714749.db2.gz BUUZTRCYBSIROV-KBPBESRZSA-N 1 2 325.206 1.902 20 30 EDEDLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000411905341 446714754 /nfs/dbraw/zinc/71/47/54/446714754.db2.gz BUUZTRCYBSIROV-KBPBESRZSA-N 1 2 325.206 1.902 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000376916769 446796261 /nfs/dbraw/zinc/79/62/61/446796261.db2.gz GIOPZJHGOMJFBP-QGZVFWFLSA-N 1 2 331.391 1.814 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000376916769 446796266 /nfs/dbraw/zinc/79/62/66/446796266.db2.gz GIOPZJHGOMJFBP-QGZVFWFLSA-N 1 2 331.391 1.814 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2ccnc(-n3cc[nH+]c3)c2)s1 ZINC000377066266 446898591 /nfs/dbraw/zinc/89/85/91/446898591.db2.gz HMLVSPCKRVNENG-UHFFFAOYSA-N 1 2 345.409 1.679 20 30 EDEDLO C=CCC1(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CCOCC1 ZINC000424783404 446936660 /nfs/dbraw/zinc/93/66/60/446936660.db2.gz PTXRYHVKDWOFJN-UHFFFAOYSA-N 1 2 330.432 1.807 20 30 EDEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000371651442 446943159 /nfs/dbraw/zinc/94/31/59/446943159.db2.gz PRCGSCAIZAKKGX-QGZVFWFLSA-N 1 2 349.475 1.194 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1=O ZINC000375637248 446943903 /nfs/dbraw/zinc/94/39/03/446943903.db2.gz WTOMVCACFZFKDL-HUUCEWRRSA-N 1 2 345.447 1.497 20 30 EDEDLO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)Cc2ccccc21 ZINC000372175842 447021769 /nfs/dbraw/zinc/02/17/69/447021769.db2.gz MSOYCBDMMBWHDQ-PBHICJAKSA-N 1 2 343.427 1.909 20 30 EDEDLO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)N(C)CCC#N)Cc2ccccc21 ZINC000372175842 447021777 /nfs/dbraw/zinc/02/17/77/447021777.db2.gz MSOYCBDMMBWHDQ-PBHICJAKSA-N 1 2 343.427 1.909 20 30 EDEDLO CC(=O)N1CC[NH+](CCNc2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000413058281 446989427 /nfs/dbraw/zinc/98/94/27/446989427.db2.gz ZVXCAMMXJNWTOL-UHFFFAOYSA-N 1 2 331.376 1.351 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000377305699 447053265 /nfs/dbraw/zinc/05/32/65/447053265.db2.gz MOYGZGHQDGQMTQ-MRXNPFEDSA-N 1 2 325.372 1.575 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000425400769 447146532 /nfs/dbraw/zinc/14/65/32/447146532.db2.gz GDHUUMIJOCMQPQ-LSDHHAIUSA-N 1 2 330.432 1.981 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@]4(CNC(=O)O4)C3)o2)cc1 ZINC000372618924 447187528 /nfs/dbraw/zinc/18/75/28/447187528.db2.gz LWTKUIDRFRTAEA-KRWDZBQOSA-N 1 2 339.355 1.683 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@]4(CNC(=O)O4)C3)o2)cc1 ZINC000372618924 447187534 /nfs/dbraw/zinc/18/75/34/447187534.db2.gz LWTKUIDRFRTAEA-KRWDZBQOSA-N 1 2 339.355 1.683 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425546298 447224275 /nfs/dbraw/zinc/22/42/75/447224275.db2.gz GTXBLRSBLOTTMQ-UKRRQHHQSA-N 1 2 337.807 1.460 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425546298 447224276 /nfs/dbraw/zinc/22/42/76/447224276.db2.gz GTXBLRSBLOTTMQ-UKRRQHHQSA-N 1 2 337.807 1.460 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1=O ZINC000419989224 447531151 /nfs/dbraw/zinc/53/11/51/447531151.db2.gz AOFAPCHLGURFLK-STQMWFEESA-N 1 2 344.419 1.374 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(C[C@@H]2CCCN2c2cc(NC)nc[nH+]2)C1=O ZINC000419989224 447531154 /nfs/dbraw/zinc/53/11/54/447531154.db2.gz AOFAPCHLGURFLK-STQMWFEESA-N 1 2 344.419 1.374 20 30 EDEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H]1C ZINC000408314830 447648858 /nfs/dbraw/zinc/64/88/58/447648858.db2.gz CXPHGJGCRUIPGQ-CABCVRRESA-N 1 2 343.493 1.177 20 30 EDEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H]1C ZINC000408314830 447648860 /nfs/dbraw/zinc/64/88/60/447648860.db2.gz CXPHGJGCRUIPGQ-CABCVRRESA-N 1 2 343.493 1.177 20 30 EDEDLO COC(=O)[C@H]([NH+]1CCN(c2cccc(C#N)n2)CC1)C1(OC)CCC1 ZINC000459401326 447653089 /nfs/dbraw/zinc/65/30/89/447653089.db2.gz LYASLGKZUPMPGC-INIZCTEOSA-N 1 2 344.415 1.186 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000408453592 447662206 /nfs/dbraw/zinc/66/22/06/447662206.db2.gz UKGPSUKLMPBUNR-HLLBOEOZSA-N 1 2 337.464 1.699 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000408453592 447662211 /nfs/dbraw/zinc/66/22/11/447662211.db2.gz UKGPSUKLMPBUNR-HLLBOEOZSA-N 1 2 337.464 1.699 20 30 EDEDLO CN(C(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000416643704 447666070 /nfs/dbraw/zinc/66/60/70/447666070.db2.gz ITTPDCLJWKNASF-UHFFFAOYSA-N 1 2 337.445 1.290 20 30 EDEDLO CCOC(=O)CN(C(=O)C[NH2+][C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000459461061 447673534 /nfs/dbraw/zinc/67/35/34/447673534.db2.gz JYZZIPKHFVYFCL-ZBFHGGJFSA-N 1 2 329.400 1.865 20 30 EDEDLO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000459469819 447679075 /nfs/dbraw/zinc/67/90/75/447679075.db2.gz SUACWSQGLLENHS-AVGNSLFASA-N 1 2 335.429 1.699 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451988494 447797384 /nfs/dbraw/zinc/79/73/84/447797384.db2.gz HFQFIBMGBIDNRX-LSDHHAIUSA-N 1 2 349.479 1.453 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451988494 447797385 /nfs/dbraw/zinc/79/73/85/447797385.db2.gz HFQFIBMGBIDNRX-LSDHHAIUSA-N 1 2 349.479 1.453 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451995766 447798485 /nfs/dbraw/zinc/79/84/85/447798485.db2.gz OYZRBOLUHSIYEB-ZFWWWQNUSA-N 1 2 343.431 1.621 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451995766 447798489 /nfs/dbraw/zinc/79/84/89/447798489.db2.gz OYZRBOLUHSIYEB-ZFWWWQNUSA-N 1 2 343.431 1.621 20 30 EDEDLO Cc1nc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)nc(N(C)C)[nH+]1 ZINC000489016242 447851128 /nfs/dbraw/zinc/85/11/28/447851128.db2.gz RPJWSIMLFXSIQD-ZDUSSCGKSA-N 1 2 325.376 1.170 20 30 EDEDLO Cc1nc(N(C)C)nc(N2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH+]1 ZINC000489016242 447851129 /nfs/dbraw/zinc/85/11/29/447851129.db2.gz RPJWSIMLFXSIQD-ZDUSSCGKSA-N 1 2 325.376 1.170 20 30 EDEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000489444895 447857242 /nfs/dbraw/zinc/85/72/42/447857242.db2.gz XLIYIWVXEWJOON-GFCCVEGCSA-N 1 2 330.367 1.780 20 30 EDEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000489444895 447857247 /nfs/dbraw/zinc/85/72/47/447857247.db2.gz XLIYIWVXEWJOON-GFCCVEGCSA-N 1 2 330.367 1.780 20 30 EDEDLO COc1ccccc1CN1C(=O)C[C@@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000569793672 447890990 /nfs/dbraw/zinc/89/09/90/447890990.db2.gz BQPWFONQPYDGEG-OAHLLOKOSA-N 1 2 341.411 1.948 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(c2ccc(N3CCOCC3)[nH+]c2C)C1=O ZINC000575773863 447896178 /nfs/dbraw/zinc/89/61/78/447896178.db2.gz RTWYCTDTUOKKPY-ZDUSSCGKSA-N 1 2 330.388 1.618 20 30 EDEDLO CC[C@](C)(C#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496829135 447949725 /nfs/dbraw/zinc/94/97/25/447949725.db2.gz QSPMBAGOILEPCU-SUMWQHHRSA-N 1 2 338.452 1.594 20 30 EDEDLO CC[C@](C)(C#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496829135 447949728 /nfs/dbraw/zinc/94/97/28/447949728.db2.gz QSPMBAGOILEPCU-SUMWQHHRSA-N 1 2 338.452 1.594 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000491210824 447959098 /nfs/dbraw/zinc/95/90/98/447959098.db2.gz ZFWRFYFHPVKBAG-CYBMUJFWSA-N 1 2 339.388 1.484 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000491210824 447959101 /nfs/dbraw/zinc/95/91/01/447959101.db2.gz ZFWRFYFHPVKBAG-CYBMUJFWSA-N 1 2 339.388 1.484 20 30 EDEDLO CC[N@H+](CC(=O)N1CCCCCC1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000552028712 447930208 /nfs/dbraw/zinc/93/02/08/447930208.db2.gz DTHDUVXGNJRHBW-HNNXBMFYSA-N 1 2 334.464 1.662 20 30 EDEDLO CC[N@@H+](CC(=O)N1CCCCCC1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000552028712 447930213 /nfs/dbraw/zinc/93/02/13/447930213.db2.gz DTHDUVXGNJRHBW-HNNXBMFYSA-N 1 2 334.464 1.662 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000491242678 447970261 /nfs/dbraw/zinc/97/02/61/447970261.db2.gz RPYIBSOXXGYULD-AWEZNQCLSA-N 1 2 344.415 1.083 20 30 EDEDLO C=CCCCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000554355439 448023575 /nfs/dbraw/zinc/02/35/75/448023575.db2.gz FOATYPBLXINLIC-HZPDHXFCSA-N 1 2 337.464 1.219 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000491514939 448050252 /nfs/dbraw/zinc/05/02/52/448050252.db2.gz KTDJZMFYVBBHIJ-LLVKDONJSA-N 1 2 342.378 1.571 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000491514939 448050255 /nfs/dbraw/zinc/05/02/55/448050255.db2.gz KTDJZMFYVBBHIJ-LLVKDONJSA-N 1 2 342.378 1.571 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000491659727 448076888 /nfs/dbraw/zinc/07/68/88/448076888.db2.gz ISDGHDNAYSGAHX-HOTGVXAUSA-N 1 2 334.464 1.126 20 30 EDEDLO C#C[C@H](NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1)C(C)C ZINC000491660948 448077073 /nfs/dbraw/zinc/07/70/73/448077073.db2.gz PEZGPAATAOBSEF-KRWDZBQOSA-N 1 2 333.432 1.781 20 30 EDEDLO C#CCN(C(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1)C1CCCC1 ZINC000491803269 448131014 /nfs/dbraw/zinc/13/10/14/448131014.db2.gz IDSQZZKPYVOWFA-UHFFFAOYSA-N 1 2 328.416 1.168 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000558571120 448198290 /nfs/dbraw/zinc/19/82/90/448198290.db2.gz HDQVXCBCRPHUIP-SJLPKXTDSA-N 1 2 345.443 1.625 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527135576 448168666 /nfs/dbraw/zinc/16/86/66/448168666.db2.gz RCDMFFFSIDFWLU-CVEARBPZSA-N 1 2 347.459 1.993 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527135576 448168670 /nfs/dbraw/zinc/16/86/70/448168670.db2.gz RCDMFFFSIDFWLU-CVEARBPZSA-N 1 2 347.459 1.993 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCC3(O)CCC3)CC2)cc1 ZINC000591011294 448230050 /nfs/dbraw/zinc/23/00/50/448230050.db2.gz LIZHRCFJADCIIE-UHFFFAOYSA-N 1 2 349.456 1.170 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000532422140 448256935 /nfs/dbraw/zinc/25/69/35/448256935.db2.gz ZCIHJPFCRMUEHC-DLBZAZTESA-N 1 2 349.456 1.480 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000563788244 448314172 /nfs/dbraw/zinc/31/41/72/448314172.db2.gz HKJHOPGIQJWSJL-CABCVRRESA-N 1 2 332.404 1.061 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000565050486 448353513 /nfs/dbraw/zinc/35/35/13/448353513.db2.gz DFKSABDUPPOPNF-QGZVFWFLSA-N 1 2 329.379 1.514 20 30 EDEDLO COc1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(Cl)c1OC ZINC000566309630 448443115 /nfs/dbraw/zinc/44/31/15/448443115.db2.gz PJDHNSBZAOIIBU-INIZCTEOSA-N 1 2 339.823 1.860 20 30 EDEDLO C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1nc(C2CCCCC2)no1 ZINC000578063846 448452002 /nfs/dbraw/zinc/45/20/02/448452002.db2.gz BEXSJSCZHWEYFA-UKRRQHHQSA-N 1 2 335.452 1.974 20 30 EDEDLO C[C@@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1nc(C2CCCCC2)no1 ZINC000578063846 448452010 /nfs/dbraw/zinc/45/20/10/448452010.db2.gz BEXSJSCZHWEYFA-UKRRQHHQSA-N 1 2 335.452 1.974 20 30 EDEDLO C[C@@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1nc(C2CCCCC2)no1 ZINC000578063846 448452015 /nfs/dbraw/zinc/45/20/15/448452015.db2.gz BEXSJSCZHWEYFA-UKRRQHHQSA-N 1 2 335.452 1.974 20 30 EDEDLO COc1ccccc1-n1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1C ZINC000578196444 448482800 /nfs/dbraw/zinc/48/28/00/448482800.db2.gz IAAKOKTZFONXNL-SFHVURJKSA-N 1 2 341.415 1.763 20 30 EDEDLO CN1CCN(c2cc(NCc3ccc(C#N)c(F)c3)[nH+]cn2)CC1=O ZINC000578310866 448511012 /nfs/dbraw/zinc/51/10/12/448511012.db2.gz VSFSKWAAVASIHU-UHFFFAOYSA-N 1 2 340.362 1.378 20 30 EDEDLO CN1CCN(c2cc(NCc3ccc(C#N)c(F)c3)nc[nH+]2)CC1=O ZINC000578310866 448511017 /nfs/dbraw/zinc/51/10/17/448511017.db2.gz VSFSKWAAVASIHU-UHFFFAOYSA-N 1 2 340.362 1.378 20 30 EDEDLO N#Cc1ccc(N2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)nc1 ZINC000536538599 448526953 /nfs/dbraw/zinc/52/69/53/448526953.db2.gz DCWMQDQAZPVDIJ-UHFFFAOYSA-N 1 2 331.383 1.805 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149518 448710461 /nfs/dbraw/zinc/71/04/61/448710461.db2.gz QJKXQXREGVYNDV-QAPCUYQASA-N 1 2 326.400 1.672 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149518 448710467 /nfs/dbraw/zinc/71/04/67/448710467.db2.gz QJKXQXREGVYNDV-QAPCUYQASA-N 1 2 326.400 1.672 20 30 EDEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150528 448711653 /nfs/dbraw/zinc/71/16/53/448711653.db2.gz FXJMVHPPSJTOJL-YVEFUNNKSA-N 1 2 337.370 1.835 20 30 EDEDLO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150528 448711659 /nfs/dbraw/zinc/71/16/59/448711659.db2.gz FXJMVHPPSJTOJL-YVEFUNNKSA-N 1 2 337.370 1.835 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000567664132 448728728 /nfs/dbraw/zinc/72/87/28/448728728.db2.gz BKYBWSCDVDBGQA-GOSISDBHSA-N 1 2 325.416 1.765 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc2c1OCO2 ZINC000543891917 448750733 /nfs/dbraw/zinc/75/07/33/448750733.db2.gz LHBPPGJTKOFATB-UHFFFAOYSA-N 1 2 346.387 1.495 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000520528513 448906638 /nfs/dbraw/zinc/90/66/38/448906638.db2.gz BCQGPNJRUVYRAJ-ZDUSSCGKSA-N 1 2 334.445 1.010 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(CC#N)c1 ZINC000529751061 448947181 /nfs/dbraw/zinc/94/71/81/448947181.db2.gz HOFJUQNBHOJFBD-IBGZPJMESA-N 1 2 343.427 1.098 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(CC#N)c1 ZINC000529751061 448947188 /nfs/dbraw/zinc/94/71/88/448947188.db2.gz HOFJUQNBHOJFBD-IBGZPJMESA-N 1 2 343.427 1.098 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC000581014960 448963090 /nfs/dbraw/zinc/96/30/90/448963090.db2.gz RPIWUCXIBQZHEU-MAUKXSAKSA-N 1 2 331.416 1.357 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000581141560 448968033 /nfs/dbraw/zinc/96/80/33/448968033.db2.gz YURBTBXDZYNHFX-SWLSCSKDSA-N 1 2 334.395 1.401 20 30 EDEDLO CC1(C)C[NH+](CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000521269123 448968581 /nfs/dbraw/zinc/96/85/81/448968581.db2.gz RDCGNOPEXOQVKK-INIZCTEOSA-N 1 2 340.427 1.117 20 30 EDEDLO Cc1cc(NCCNC(=O)c2cc(C)c(C#N)cn2)nc(C(C)C)[nH+]1 ZINC000529846487 448984732 /nfs/dbraw/zinc/98/47/32/448984732.db2.gz QAZNOJOJWWWPQF-UHFFFAOYSA-N 1 2 338.415 2.325 20 30 EDEDLO N#CCc1ccc(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000582064725 449002261 /nfs/dbraw/zinc/00/22/61/449002261.db2.gz ORFDVRWDNHYCJM-UHFFFAOYSA-N 1 2 349.438 1.586 20 30 EDEDLO CCCN(C(=O)c1cc(C#N)c(SC)[nH]c1=O)[C@@H]1CC[N@H+](C)C1 ZINC000592832192 449008831 /nfs/dbraw/zinc/00/88/31/449008831.db2.gz STYDXIXMPVYWFV-GFCCVEGCSA-N 1 2 334.445 1.937 20 30 EDEDLO CCCN(C(=O)c1cc(C#N)c(SC)[nH]c1=O)[C@@H]1CC[N@@H+](C)C1 ZINC000592832192 449008837 /nfs/dbraw/zinc/00/88/37/449008837.db2.gz STYDXIXMPVYWFV-GFCCVEGCSA-N 1 2 334.445 1.937 20 30 EDEDLO COCCN(CCC#N)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000589431473 449016154 /nfs/dbraw/zinc/01/61/54/449016154.db2.gz DIALRBFKAKCBEI-UHFFFAOYSA-N 1 2 326.400 1.863 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1=O ZINC000589515804 449028851 /nfs/dbraw/zinc/02/88/51/449028851.db2.gz FPASPWBAQILBNX-OAHLLOKOSA-N 1 2 347.371 1.600 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1=O ZINC000589515804 449028855 /nfs/dbraw/zinc/02/88/55/449028855.db2.gz FPASPWBAQILBNX-OAHLLOKOSA-N 1 2 347.371 1.600 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@]1(C#N)CC13CCCC3)C2 ZINC000569250314 448988533 /nfs/dbraw/zinc/98/85/33/448988533.db2.gz OOQRSMCUBYYWDR-IFXJQAMLSA-N 1 2 342.443 1.631 20 30 EDEDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000575113848 449038623 /nfs/dbraw/zinc/03/86/23/449038623.db2.gz JJMVOUMFUCCUFR-CQSZACIVSA-N 1 2 329.448 1.769 20 30 EDEDLO Cc1ccc(CN2C[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC2=O)cc1 ZINC000589827852 449064845 /nfs/dbraw/zinc/06/48/45/449064845.db2.gz RWAOIOCXQCMHFK-QFBILLFUSA-N 1 2 342.443 1.304 20 30 EDEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632724 449090756 /nfs/dbraw/zinc/09/07/56/449090756.db2.gz PXPRLDZGSGZTSF-CYBMUJFWSA-N 1 2 336.461 1.283 20 30 EDEDLO COc1cccc(CN(C)C(=O)C[NH+]2CCN(CCC#N)CC2)c1 ZINC000611176193 449202314 /nfs/dbraw/zinc/20/23/14/449202314.db2.gz VMOLWAQAQDKMHY-UHFFFAOYSA-N 1 2 330.432 1.185 20 30 EDEDLO CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1[nH]cc[nH+]1 ZINC000611191061 449209819 /nfs/dbraw/zinc/20/98/19/449209819.db2.gz DDPIOENBAMWDMR-UHFFFAOYSA-N 1 2 335.371 1.538 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000593412836 449272194 /nfs/dbraw/zinc/27/21/94/449272194.db2.gz SMWXSKAFGGVASR-HOTGVXAUSA-N 1 2 338.452 1.059 20 30 EDEDLO N#CCCN1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000611516829 449318615 /nfs/dbraw/zinc/31/86/15/449318615.db2.gz MLRNNIMXLWUTLF-SFHVURJKSA-N 1 2 337.427 1.585 20 30 EDEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](OC(F)F)C3)C2=O)cc1 ZINC000611567826 449340282 /nfs/dbraw/zinc/34/02/82/449340282.db2.gz RVYNVYNYEHKDHG-ZIAGYGMSSA-N 1 2 349.337 1.894 20 30 EDEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](OC(F)F)C3)C2=O)cc1 ZINC000611567826 449340288 /nfs/dbraw/zinc/34/02/88/449340288.db2.gz RVYNVYNYEHKDHG-ZIAGYGMSSA-N 1 2 349.337 1.894 20 30 EDEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](OC(F)F)C3)C2=O)cc1 ZINC000611567823 449340791 /nfs/dbraw/zinc/34/07/91/449340791.db2.gz RVYNVYNYEHKDHG-KBPBESRZSA-N 1 2 349.337 1.894 20 30 EDEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](OC(F)F)C3)C2=O)cc1 ZINC000611567823 449340799 /nfs/dbraw/zinc/34/07/99/449340799.db2.gz RVYNVYNYEHKDHG-KBPBESRZSA-N 1 2 349.337 1.894 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1OCc2ccccc21 ZINC000594257457 449414256 /nfs/dbraw/zinc/41/42/56/449414256.db2.gz CAEWAEROFBSHHC-GOSISDBHSA-N 1 2 343.427 1.722 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[C@](C)(C#N)C1)CC2 ZINC000598412174 449385031 /nfs/dbraw/zinc/38/50/31/449385031.db2.gz SBHBKRVLYOLSLK-LJQANCHMSA-N 1 2 343.427 1.824 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@](C)(C#N)C1)CC2 ZINC000598412174 449385036 /nfs/dbraw/zinc/38/50/36/449385036.db2.gz SBHBKRVLYOLSLK-LJQANCHMSA-N 1 2 343.427 1.824 20 30 EDEDLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C1CCN(CC#N)CC1 ZINC000600591229 449453421 /nfs/dbraw/zinc/45/34/21/449453421.db2.gz MUFMCFPLBGJSKJ-KRWDZBQOSA-N 1 2 333.407 1.877 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594337420 449456159 /nfs/dbraw/zinc/45/61/59/449456159.db2.gz UNVRGDJDCKMUQD-WBMJQRKESA-N 1 2 340.383 1.360 20 30 EDEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594337420 449456166 /nfs/dbraw/zinc/45/61/66/449456166.db2.gz UNVRGDJDCKMUQD-WBMJQRKESA-N 1 2 340.383 1.360 20 30 EDEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000598595442 449482383 /nfs/dbraw/zinc/48/23/83/449482383.db2.gz NTXROPQLQYBMFI-GJZGRUSLSA-N 1 2 349.398 1.102 20 30 EDEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000598595442 449482386 /nfs/dbraw/zinc/48/23/86/449482386.db2.gz NTXROPQLQYBMFI-GJZGRUSLSA-N 1 2 349.398 1.102 20 30 EDEDLO CC(C)n1nnnc1-c1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000600746096 449530382 /nfs/dbraw/zinc/53/03/82/449530382.db2.gz LCXIXGFZCFGEQF-MRXNPFEDSA-N 1 2 343.435 1.539 20 30 EDEDLO CC(C)n1nnnc1-c1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000600746096 449530384 /nfs/dbraw/zinc/53/03/84/449530384.db2.gz LCXIXGFZCFGEQF-MRXNPFEDSA-N 1 2 343.435 1.539 20 30 EDEDLO COC(=O)[C@@H](NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000594556274 449574403 /nfs/dbraw/zinc/57/44/03/449574403.db2.gz LMGKPCOPUPVUPW-BSXFFOKHSA-N 1 2 345.443 1.860 20 30 EDEDLO COC(=O)[C@@H](NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000594556274 449574409 /nfs/dbraw/zinc/57/44/09/449574409.db2.gz LMGKPCOPUPVUPW-BSXFFOKHSA-N 1 2 345.443 1.860 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)CCN1c1nccn2cnnc12 ZINC000602483777 449627115 /nfs/dbraw/zinc/62/71/15/449627115.db2.gz LETYSIMXFJJEML-CYBMUJFWSA-N 1 2 334.387 1.102 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CCN1c1nccn2cnnc12 ZINC000602483777 449627120 /nfs/dbraw/zinc/62/71/20/449627120.db2.gz LETYSIMXFJJEML-CYBMUJFWSA-N 1 2 334.387 1.102 20 30 EDEDLO C[C@@H](CC#N)NC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000601022169 449658031 /nfs/dbraw/zinc/65/80/31/449658031.db2.gz HAGADQOWLNRWPT-ZDUSSCGKSA-N 1 2 334.395 1.602 20 30 EDEDLO COCc1sccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000601024091 449659192 /nfs/dbraw/zinc/65/91/92/449659192.db2.gz QWLMSTDHVVGUAU-UHFFFAOYSA-N 1 2 337.445 1.583 20 30 EDEDLO N#Cc1c(F)cccc1N1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602760563 449787370 /nfs/dbraw/zinc/78/73/70/449787370.db2.gz XDWOZLNVDYSMGV-GOSISDBHSA-N 1 2 342.418 1.973 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000599130850 449753809 /nfs/dbraw/zinc/75/38/09/449753809.db2.gz LTHMAFLDQYAJOE-KRWDZBQOSA-N 1 2 346.387 1.494 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000599130850 449753816 /nfs/dbraw/zinc/75/38/16/449753816.db2.gz LTHMAFLDQYAJOE-KRWDZBQOSA-N 1 2 346.387 1.494 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N2CCC(c3ccccc3)=N2)C[C@H](C)N1CC#N ZINC000602854638 449861093 /nfs/dbraw/zinc/86/10/93/449861093.db2.gz CPVVZWDFELGDIH-IYBDPMFKSA-N 1 2 339.443 1.541 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N2CCC(c3ccccc3)=N2)C[C@H](C)N1CC#N ZINC000602854638 449861094 /nfs/dbraw/zinc/86/10/94/449861094.db2.gz CPVVZWDFELGDIH-IYBDPMFKSA-N 1 2 339.443 1.541 20 30 EDEDLO COc1ccc(C)cc1NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855581 449862248 /nfs/dbraw/zinc/86/22/48/449862248.db2.gz IEJLXHKVSJKXAU-GJZGRUSLSA-N 1 2 330.432 1.860 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)N2CCc3sccc3C2)C[C@@H](C)N1CC#N ZINC000602856930 449865345 /nfs/dbraw/zinc/86/53/45/449865345.db2.gz MWKYNBAHMIKIAP-ZIAGYGMSSA-N 1 2 332.473 1.551 20 30 EDEDLO COc1ccccc1CCNC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602857327 449865544 /nfs/dbraw/zinc/86/55/44/449865544.db2.gz QUOOQKUYXSRRLI-HZPDHXFCSA-N 1 2 344.459 1.272 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)N2CCc3ccccc3C2)C[C@H](C)N1CC#N ZINC000602858658 449867841 /nfs/dbraw/zinc/86/78/41/449867841.db2.gz CNQORHCKNOAYNY-HOTGVXAUSA-N 1 2 326.444 1.489 20 30 EDEDLO COc1ccc(NC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1OC ZINC000602866548 449876708 /nfs/dbraw/zinc/87/67/08/449876708.db2.gz VWLLXZJYWUYKBX-ZIAGYGMSSA-N 1 2 346.431 1.560 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)CCCCC1 ZINC000602922700 449923659 /nfs/dbraw/zinc/92/36/59/449923659.db2.gz BYWAMKAEAUNSQE-IAGOWNOFSA-N 1 2 343.427 1.453 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)CCCCC1 ZINC000602922700 449923664 /nfs/dbraw/zinc/92/36/64/449923664.db2.gz BYWAMKAEAUNSQE-IAGOWNOFSA-N 1 2 343.427 1.453 20 30 EDEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000609128560 449962250 /nfs/dbraw/zinc/96/22/50/449962250.db2.gz MSHZSTGWNOSYHZ-INIZCTEOSA-N 1 2 345.468 1.974 20 30 EDEDLO CO[C@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@@](C)(CO)C1 ZINC000602964525 449965485 /nfs/dbraw/zinc/96/54/85/449965485.db2.gz QVNWBPJRMDPUBE-MLGOLLRUSA-N 1 2 337.445 1.647 20 30 EDEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@@](C)(CO)C1 ZINC000602964525 449965493 /nfs/dbraw/zinc/96/54/93/449965493.db2.gz QVNWBPJRMDPUBE-MLGOLLRUSA-N 1 2 337.445 1.647 20 30 EDEDLO CN(CCC#N)C(=O)CCN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603006736 450003027 /nfs/dbraw/zinc/00/30/27/450003027.db2.gz KJGIXENAMHJNIP-UHFFFAOYSA-N 1 2 330.432 1.272 20 30 EDEDLO N#CCN1CCC(NC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000609340221 450014444 /nfs/dbraw/zinc/01/44/44/450014444.db2.gz KWNJHGGKOYSQSM-UHFFFAOYSA-N 1 2 330.436 1.561 20 30 EDEDLO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000599563210 450062516 /nfs/dbraw/zinc/06/25/16/450062516.db2.gz BHTOZTYHPLXWAY-MRXNPFEDSA-N 1 2 340.326 1.924 20 30 EDEDLO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000599563210 450062520 /nfs/dbraw/zinc/06/25/20/450062520.db2.gz BHTOZTYHPLXWAY-MRXNPFEDSA-N 1 2 340.326 1.924 20 30 EDEDLO N#Cc1cnc(Nc2ccn(CC[NH+]3CCOCC3)n2)c(Cl)c1 ZINC000609631248 450077284 /nfs/dbraw/zinc/07/72/84/450077284.db2.gz SZSPZWVPTSQUGZ-UHFFFAOYSA-N 1 2 332.795 1.879 20 30 EDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000599612639 450103918 /nfs/dbraw/zinc/10/39/18/450103918.db2.gz CCLADXYSSAKVDV-HNNXBMFYSA-N 1 2 349.431 1.946 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@](F)(C#N)C3)c[nH+]2)CCO1 ZINC000615534417 450127692 /nfs/dbraw/zinc/12/76/92/450127692.db2.gz AQCDCMSDENVYNS-GUYCJALGSA-N 1 2 347.394 1.454 20 30 EDEDLO COC(=O)[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000599668768 450141885 /nfs/dbraw/zinc/14/18/85/450141885.db2.gz ZBKBWELHJFYSJO-HNNXBMFYSA-N 1 2 327.384 1.321 20 30 EDEDLO COC(=O)[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000599668768 450141887 /nfs/dbraw/zinc/14/18/87/450141887.db2.gz ZBKBWELHJFYSJO-HNNXBMFYSA-N 1 2 327.384 1.321 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000613342686 450142357 /nfs/dbraw/zinc/14/23/57/450142357.db2.gz QBAYBKZMYQGXJR-AWEZNQCLSA-N 1 2 346.412 1.789 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H](n3cc(Cn4cc[nH+]c4)nn3)C2=O)cc1 ZINC000603234944 450164830 /nfs/dbraw/zinc/16/48/30/450164830.db2.gz DPGNEMUIHDVIDE-QGZVFWFLSA-N 1 2 347.382 1.763 20 30 EDEDLO C=C[C@H](O)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000613405591 450166718 /nfs/dbraw/zinc/16/67/18/450166718.db2.gz RTWUCDNJGJEGOM-YDHLFZDLSA-N 1 2 328.334 1.902 20 30 EDEDLO C=C[C@H](O)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000613405591 450166724 /nfs/dbraw/zinc/16/67/24/450166724.db2.gz RTWUCDNJGJEGOM-YDHLFZDLSA-N 1 2 328.334 1.902 20 30 EDEDLO CN(C)C(=O)C[NH+]1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613411256 450167682 /nfs/dbraw/zinc/16/76/82/450167682.db2.gz KWYOVCMTZFLOEE-UHFFFAOYSA-N 1 2 329.448 1.461 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000595489695 450181211 /nfs/dbraw/zinc/18/12/11/450181211.db2.gz NNRAVGUSHMPQDQ-UHFFFAOYSA-N 1 2 327.348 1.546 20 30 EDEDLO Cc1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1[N+](=O)[O-] ZINC000595501765 450189655 /nfs/dbraw/zinc/18/96/55/450189655.db2.gz MRRRGBPXRUJBAB-GFCCVEGCSA-N 1 2 329.316 1.811 20 30 EDEDLO Cc1noc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1[N+](=O)[O-] ZINC000595501765 450189661 /nfs/dbraw/zinc/18/96/61/450189661.db2.gz MRRRGBPXRUJBAB-GFCCVEGCSA-N 1 2 329.316 1.811 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610586791 450267782 /nfs/dbraw/zinc/26/77/82/450267782.db2.gz IPHXWWQIQNZQAD-AWEZNQCLSA-N 1 2 341.346 1.696 20 30 EDEDLO CCc1nn(C)cc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000615968499 450286056 /nfs/dbraw/zinc/28/60/56/450286056.db2.gz SGXJGTVLPYPZFW-UHFFFAOYSA-N 1 2 327.436 1.218 20 30 EDEDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000610848478 450354962 /nfs/dbraw/zinc/35/49/62/450354962.db2.gz ANRNFRVZKIXNKU-MRXNPFEDSA-N 1 2 347.415 1.785 20 30 EDEDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000610848478 450354966 /nfs/dbraw/zinc/35/49/66/450354966.db2.gz ANRNFRVZKIXNKU-MRXNPFEDSA-N 1 2 347.415 1.785 20 30 EDEDLO COC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000603896244 450371051 /nfs/dbraw/zinc/37/10/51/450371051.db2.gz XNQVZGQUJNVWCC-MNOVXSKESA-N 1 2 347.440 1.930 20 30 EDEDLO COC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000603896244 450371052 /nfs/dbraw/zinc/37/10/52/450371052.db2.gz XNQVZGQUJNVWCC-MNOVXSKESA-N 1 2 347.440 1.930 20 30 EDEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)OCC ZINC000629437112 450683160 /nfs/dbraw/zinc/68/31/60/450683160.db2.gz HGCSNIKVHKBRKS-ZWKOTPCHSA-N 1 2 347.459 1.770 20 30 EDEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)OCC ZINC000629437112 450683163 /nfs/dbraw/zinc/68/31/63/450683163.db2.gz HGCSNIKVHKBRKS-ZWKOTPCHSA-N 1 2 347.459 1.770 20 30 EDEDLO C=C(C)C[C@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000630966101 451512056 /nfs/dbraw/zinc/51/20/56/451512056.db2.gz WOACJQNNCOXFGF-QGZVFWFLSA-N 1 2 343.427 1.905 20 30 EDEDLO C=C(C)C[C@@H]1NC(=O)N(Cc2ccc[nH+]c2N2CCOCC2)C1=O ZINC000630968754 451514242 /nfs/dbraw/zinc/51/42/42/451514242.db2.gz WYPRLVWQTFSYQE-AWEZNQCLSA-N 1 2 330.388 1.305 20 30 EDEDLO C=CCCCNC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000636832046 451542345 /nfs/dbraw/zinc/54/23/45/451542345.db2.gz SBMOZOBOUVPPRU-INIZCTEOSA-N 1 2 345.443 1.468 20 30 EDEDLO C=CCCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000636832046 451542347 /nfs/dbraw/zinc/54/23/47/451542347.db2.gz SBMOZOBOUVPPRU-INIZCTEOSA-N 1 2 345.443 1.468 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(c3ccc(F)cc3)C2=O)nn1 ZINC000641107533 451752113 /nfs/dbraw/zinc/75/21/13/451752113.db2.gz UCOLSSYAKGUQFR-INIZCTEOSA-N 1 2 327.363 1.508 20 30 EDEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000649223710 451915387 /nfs/dbraw/zinc/91/53/87/451915387.db2.gz LLLCKHNNYBVOST-AWEZNQCLSA-N 1 2 340.370 1.983 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639856253 452189223 /nfs/dbraw/zinc/18/92/23/452189223.db2.gz PGRRYTRYSZXWHS-SUMWQHHRSA-N 1 2 336.457 1.721 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639856253 452189228 /nfs/dbraw/zinc/18/92/28/452189228.db2.gz PGRRYTRYSZXWHS-SUMWQHHRSA-N 1 2 336.457 1.721 20 30 EDEDLO C=C(C)Cn1c([C@@H]2CCO[C@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000647403108 452204570 /nfs/dbraw/zinc/20/45/70/452204570.db2.gz CVNHOLNTQZLUDV-JKSUJKDBSA-N 1 2 349.479 1.515 20 30 EDEDLO C=CCCCCCNC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000654390401 452443120 /nfs/dbraw/zinc/44/31/20/452443120.db2.gz BMFLJFAZSHFBPC-UHFFFAOYSA-N 1 2 346.479 1.644 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000662080392 452827144 /nfs/dbraw/zinc/82/71/44/452827144.db2.gz PMAFREFPFFVMLL-KBXIAJHMSA-N 1 2 326.462 1.203 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000662080392 452827149 /nfs/dbraw/zinc/82/71/49/452827149.db2.gz PMAFREFPFFVMLL-KBXIAJHMSA-N 1 2 326.462 1.203 20 30 EDEDLO C=CCNC(=O)CNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662512906 453230736 /nfs/dbraw/zinc/23/07/36/453230736.db2.gz NCCZOPCLUZWCFX-ZDUSSCGKSA-N 1 2 330.215 1.672 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nccnc2-c2ccccc2)CC1 ZINC000663360918 453778451 /nfs/dbraw/zinc/77/84/51/453778451.db2.gz XIYMUCAOYIZGKQ-UHFFFAOYSA-N 1 2 337.427 1.568 20 30 EDEDLO C=CCNC(=O)CN1CCN(c2nc(C3CC3)[nH+]c(C)c2OC)CC1 ZINC000566478618 486711926 /nfs/dbraw/zinc/71/19/26/486711926.db2.gz PLZSZYSEOUSSRU-UHFFFAOYSA-N 1 2 345.447 1.095 20 30 EDEDLO COCC#CC[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000679435147 487425432 /nfs/dbraw/zinc/42/54/32/487425432.db2.gz NFHAWOZSURSJQW-QGZVFWFLSA-N 1 2 348.468 1.493 20 30 EDEDLO COCC#CC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000679435147 487425435 /nfs/dbraw/zinc/42/54/35/487425435.db2.gz NFHAWOZSURSJQW-QGZVFWFLSA-N 1 2 348.468 1.493 20 30 EDEDLO C=CCOCCNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000679483188 487430390 /nfs/dbraw/zinc/43/03/90/487430390.db2.gz SGRGPXUXOHSGTH-SFHVURJKSA-N 1 2 347.459 1.870 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](CCO)CCN2CCOCC2)c1C ZINC000086168995 491189654 /nfs/dbraw/zinc/18/96/54/491189654.db2.gz GLSWXHSUTYSADA-UHFFFAOYSA-N 1 2 349.475 1.100 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](CCO)CCN2CCOCC2)c1C ZINC000086168995 491189659 /nfs/dbraw/zinc/18/96/59/491189659.db2.gz GLSWXHSUTYSADA-UHFFFAOYSA-N 1 2 349.475 1.100 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@]1(C#N)C[C@H]1C)CC2 ZINC000449813583 486160189 /nfs/dbraw/zinc/16/01/89/486160189.db2.gz YGXDTWFHFUSEMY-YJYMSZOUSA-N 1 2 343.427 1.728 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@]1(C#N)C[C@H]1C)CC2 ZINC000449813583 486160196 /nfs/dbraw/zinc/16/01/96/486160196.db2.gz YGXDTWFHFUSEMY-YJYMSZOUSA-N 1 2 343.427 1.728 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@]1(C#N)C[C@@H]1C)CC2 ZINC000449813579 486160939 /nfs/dbraw/zinc/16/09/39/486160939.db2.gz YGXDTWFHFUSEMY-DJJJIMSYSA-N 1 2 343.427 1.728 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@]1(C#N)C[C@@H]1C)CC2 ZINC000449813579 486160944 /nfs/dbraw/zinc/16/09/44/486160944.db2.gz YGXDTWFHFUSEMY-DJJJIMSYSA-N 1 2 343.427 1.728 20 30 EDEDLO C=C(C)[C@H](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)OCC ZINC000270010973 534337559 /nfs/dbraw/zinc/33/75/59/534337559.db2.gz AUBUVJVSZMOWCE-INIZCTEOSA-N 1 2 336.436 1.525 20 30 EDEDLO C=CC[NH+]1CCC(NC(=O)c2ccccc2S(=O)(=O)CC)CC1 ZINC000171722033 526449192 /nfs/dbraw/zinc/44/91/92/526449192.db2.gz FCXGXQZTZWFJEL-UHFFFAOYSA-N 1 2 336.457 1.860 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1O ZINC000188484188 526590724 /nfs/dbraw/zinc/59/07/24/526590724.db2.gz UDTWEEDLTBPPJS-CQSZACIVSA-N 1 2 329.400 1.448 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106370791 526604090 /nfs/dbraw/zinc/60/40/90/526604090.db2.gz PUIBARFRXUWZBA-GFCCVEGCSA-N 1 2 333.436 1.302 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000183702200 527196705 /nfs/dbraw/zinc/19/67/05/527196705.db2.gz RMECXNJZFWHYJO-RISCZKNCSA-N 1 2 327.375 1.804 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000183702215 527196779 /nfs/dbraw/zinc/19/67/79/527196779.db2.gz RMECXNJZFWHYJO-BXUZGUMPSA-N 1 2 327.375 1.804 20 30 EDEDLO C=CCc1cc(C[N@H+](CC)CCS(C)(=O)=O)cc(OC)c1O ZINC000093816006 527236893 /nfs/dbraw/zinc/23/68/93/527236893.db2.gz RNURWCXCUDEGRF-UHFFFAOYSA-N 1 2 327.446 1.996 20 30 EDEDLO C=CCc1cc(C[N@@H+](CC)CCS(C)(=O)=O)cc(OC)c1O ZINC000093816006 527236900 /nfs/dbraw/zinc/23/69/00/527236900.db2.gz RNURWCXCUDEGRF-UHFFFAOYSA-N 1 2 327.446 1.996 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)[NH+]2CCSCC2)c1 ZINC000131305256 527453961 /nfs/dbraw/zinc/45/39/61/527453961.db2.gz VZXLRHLMOPSBJV-ZDUSSCGKSA-N 1 2 331.441 1.160 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000101523801 528807865 /nfs/dbraw/zinc/80/78/65/528807865.db2.gz PWCBQGIHXKLCFH-BQYQJAHWSA-N 1 2 341.411 1.669 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000101523801 528807868 /nfs/dbraw/zinc/80/78/68/528807868.db2.gz PWCBQGIHXKLCFH-BQYQJAHWSA-N 1 2 341.411 1.669 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000168994548 529150378 /nfs/dbraw/zinc/15/03/78/529150378.db2.gz DKKNDVSIDJVOET-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000168994548 529150379 /nfs/dbraw/zinc/15/03/79/529150379.db2.gz DKKNDVSIDJVOET-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)CCN1CC(F)F ZINC000153655987 529285862 /nfs/dbraw/zinc/28/58/62/529285862.db2.gz VJFGQAVNUCBIEG-AWEZNQCLSA-N 1 2 342.434 1.990 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)CCN1CC(F)F ZINC000153655987 529285866 /nfs/dbraw/zinc/28/58/66/529285866.db2.gz VJFGQAVNUCBIEG-AWEZNQCLSA-N 1 2 342.434 1.990 20 30 EDEDLO COc1ccc(Cl)cc1NC(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284598626 536576240 /nfs/dbraw/zinc/57/62/40/536576240.db2.gz YJKCMLRSUILNBW-GFCCVEGCSA-N 1 2 327.768 1.755 20 30 EDEDLO COCCC1N=NC(=S)N1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000743445905 579480194 /nfs/dbraw/zinc/48/01/94/579480194.db2.gz IMIGVTAAWRONOM-UHFFFAOYSA-N 1 2 328.401 1.824 20 30 EDEDLO COC1CC[NH+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000725768583 578280736 /nfs/dbraw/zinc/28/07/36/578280736.db2.gz MGPNUKSFVJENSV-SFHVURJKSA-N 1 2 342.399 1.394 20 30 EDEDLO Cc1nc(N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000760095622 580022863 /nfs/dbraw/zinc/02/28/63/580022863.db2.gz VIDDNQPFWZPWCO-QGZVFWFLSA-N 1 2 337.383 1.039 20 30 EDEDLO C=CCN(C(=O)C[N@@H+](C)CCCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000731897775 578682901 /nfs/dbraw/zinc/68/29/01/578682901.db2.gz ZBAWNTCEHGDRDM-HNNXBMFYSA-N 1 2 330.494 1.700 20 30 EDEDLO C=CCN(C(=O)C[N@H+](C)CCCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000731897775 578682902 /nfs/dbraw/zinc/68/29/02/578682902.db2.gz ZBAWNTCEHGDRDM-HNNXBMFYSA-N 1 2 330.494 1.700 20 30 EDEDLO C=CCN(CC=C)C(=O)COC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000731913650 578683053 /nfs/dbraw/zinc/68/30/53/578683053.db2.gz ABOOJAFLRWGSHM-UHFFFAOYSA-N 1 2 327.384 1.929 20 30 EDEDLO C=C(C)CNC(=S)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000731951505 578684841 /nfs/dbraw/zinc/68/48/41/578684841.db2.gz ITDISUXSBXHHDM-QGZVFWFLSA-N 1 2 333.501 1.970 20 30 EDEDLO CC(C)C[C@@H]1CC(=O)N(C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000760550837 580033512 /nfs/dbraw/zinc/03/35/12/580033512.db2.gz JPOZADCLPYRPSC-MRXNPFEDSA-N 1 2 341.459 1.927 20 30 EDEDLO N#C[C@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)CCN1C1CC1 ZINC000732674853 578723831 /nfs/dbraw/zinc/72/38/31/578723831.db2.gz MZIPQAMHAYGJPL-SFHVURJKSA-N 1 2 339.443 1.384 20 30 EDEDLO Cc1cn2cc(NC(=O)CCNC(=O)C3N=CC=CC3=O)ccc2[nH+]1 ZINC000746197927 579576014 /nfs/dbraw/zinc/57/60/14/579576014.db2.gz WGRVLORIJWXSQH-MSUUIHNZSA-N 1 2 339.355 1.498 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(CC(C)C)c2ccc(C#N)cc2)CC1 ZINC000748814994 579701257 /nfs/dbraw/zinc/70/12/57/579701257.db2.gz JIEPHFSCGGNXLR-UHFFFAOYSA-N 1 2 338.455 1.798 20 30 EDEDLO Cc1ccc(NC(=O)NCCNc2ccc(C#N)cn2)c(N(C)C)[nH+]1 ZINC000750424458 579763697 /nfs/dbraw/zinc/76/36/97/579763697.db2.gz PQOUHXSYZIYRMU-UHFFFAOYSA-N 1 2 339.403 1.956 20 30 EDEDLO COc1ccc(O)c(C=[NH+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000751891357 579826484 /nfs/dbraw/zinc/82/64/84/579826484.db2.gz YGLYFAIZGMWEDE-QMQOZSLOSA-N 1 2 331.372 1.540 20 30 EDEDLO N#CCCNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000752082708 579837243 /nfs/dbraw/zinc/83/72/43/579837243.db2.gz GBDRRBWDOBMCIO-UHFFFAOYSA-N 1 2 340.349 1.857 20 30 EDEDLO N#Cc1cccn(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c1=O ZINC000758190450 579976494 /nfs/dbraw/zinc/97/64/94/579976494.db2.gz FXOFIGDIRCPKBI-UHFFFAOYSA-N 1 2 342.443 1.838 20 30 EDEDLO Cc1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)ccc1-n1cncn1 ZINC000761839405 580062547 /nfs/dbraw/zinc/06/25/47/580062547.db2.gz SOXIPMBSENIWJL-UHFFFAOYSA-N 1 2 345.370 1.997 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000764531802 580122857 /nfs/dbraw/zinc/12/28/57/580122857.db2.gz JLYHYZKXOSHNFT-ZBFHGGJFSA-N 1 2 338.411 1.935 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000764531802 580122858 /nfs/dbraw/zinc/12/28/58/580122858.db2.gz JLYHYZKXOSHNFT-ZBFHGGJFSA-N 1 2 338.411 1.935 20 30 EDEDLO C#C[C@@H](NC(=O)NCCn1c(C)[nH+]c2ccccc21)[C@@H]1CCCO1 ZINC000773130337 580327924 /nfs/dbraw/zinc/32/79/24/580327924.db2.gz SYMWIVPSTRWXCG-PBHICJAKSA-N 1 2 326.400 1.825 20 30 EDEDLO C#C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)[C@H]1CCCO1 ZINC000773151857 580328474 /nfs/dbraw/zinc/32/84/74/580328474.db2.gz LBPYXVCIXJADEU-BBWFWOEESA-N 1 2 338.411 1.990 20 30 EDEDLO O=S1(=O)CCC(NN=C2CCCC[C@@H]2[NH+]2CCCCC2)CC1 ZINC000776791027 580429128 /nfs/dbraw/zinc/42/91/28/580429128.db2.gz IJEQSHMRRRLPJC-INIZCTEOSA-N 1 2 327.494 1.938 20 30 EDEDLO CCC(CC)[C@@H](C(=O)OCCn1ncc(C#N)c1N)[NH+]1CCOCC1 ZINC000778633519 580469205 /nfs/dbraw/zinc/46/92/05/580469205.db2.gz FVOBVZUCRGRGAR-HNNXBMFYSA-N 1 2 349.435 1.017 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000780091586 580512585 /nfs/dbraw/zinc/51/25/85/580512585.db2.gz HHAOKJXEXFZUBW-WMLDXEAASA-N 1 2 331.416 1.841 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000780876407 580536290 /nfs/dbraw/zinc/53/62/90/580536290.db2.gz WHJHZYBPLUUAKX-INIZCTEOSA-N 1 2 333.351 1.489 20 30 EDEDLO Cc1c(O)cc(O)c(C=NNc2ccc(-n3cc[nH+]c3)nn2)c1O ZINC000782284383 580570888 /nfs/dbraw/zinc/57/08/88/580570888.db2.gz DPGFCMAINVCRAV-UHFFFAOYSA-N 1 2 326.316 1.534 20 30 EDEDLO C#CCOCCNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000784203821 580615308 /nfs/dbraw/zinc/61/53/08/580615308.db2.gz FVWXFDBTKYEEQO-UHFFFAOYSA-N 1 2 330.432 1.767 20 30 EDEDLO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000784449836 580621215 /nfs/dbraw/zinc/62/12/15/580621215.db2.gz HOJVTXVSZBNCRL-IHWMJMDHSA-N 1 2 337.445 1.592 20 30 EDEDLO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000784449836 580621216 /nfs/dbraw/zinc/62/12/16/580621216.db2.gz HOJVTXVSZBNCRL-IHWMJMDHSA-N 1 2 337.445 1.592 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)S1 ZINC000785409076 580642986 /nfs/dbraw/zinc/64/29/86/580642986.db2.gz CMFLCCKOPHOJOS-UHFFFAOYSA-N 1 2 344.440 1.903 20 30 EDEDLO COCC1(O)CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793511864 580846565 /nfs/dbraw/zinc/84/65/65/580846565.db2.gz NOCHLZMUMOFOKS-UHFFFAOYSA-N 1 2 331.416 1.030 20 30 EDEDLO Cn1c2ccccc2n(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1=O ZINC000793590985 580848426 /nfs/dbraw/zinc/84/84/26/580848426.db2.gz NRNVREHVYQNYOM-HNNXBMFYSA-N 1 2 349.394 1.717 20 30 EDEDLO Cn1c2ccccc2n(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1=O ZINC000793590985 580848427 /nfs/dbraw/zinc/84/84/27/580848427.db2.gz NRNVREHVYQNYOM-HNNXBMFYSA-N 1 2 349.394 1.717 20 30 EDEDLO C#CCN(C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)C1CCCC1 ZINC000793866485 580858490 /nfs/dbraw/zinc/85/84/90/580858490.db2.gz PZSCMIGOVGXXRE-UHFFFAOYSA-N 1 2 339.439 1.523 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C[C@@H]21 ZINC000794987421 580910142 /nfs/dbraw/zinc/91/01/42/580910142.db2.gz SWSXFMYOQDFMQU-OLRMPSLUSA-N 1 2 331.372 1.446 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C[C@@H]21 ZINC000794987421 580910143 /nfs/dbraw/zinc/91/01/43/580910143.db2.gz SWSXFMYOQDFMQU-OLRMPSLUSA-N 1 2 331.372 1.446 20 30 EDEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000796307100 580950565 /nfs/dbraw/zinc/95/05/65/580950565.db2.gz ZTEBYHIGPJJSNM-QMTHXVAHSA-N 1 2 347.337 1.365 20 30 EDEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000796307100 580950566 /nfs/dbraw/zinc/95/05/66/580950566.db2.gz ZTEBYHIGPJJSNM-QMTHXVAHSA-N 1 2 347.337 1.365 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000798274460 580992796 /nfs/dbraw/zinc/99/27/96/580992796.db2.gz FJUIYHPGZIPFEU-LSDHHAIUSA-N 1 2 344.415 1.634 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000798326449 580994045 /nfs/dbraw/zinc/99/40/45/580994045.db2.gz GRWJBFKPRULYOX-UHFFFAOYSA-N 1 2 331.372 1.450 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000798355258 580995120 /nfs/dbraw/zinc/99/51/20/580995120.db2.gz UVVBVNCBABAPHI-MSOLQXFVSA-N 1 2 345.443 1.133 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000798464760 580998292 /nfs/dbraw/zinc/99/82/92/580998292.db2.gz KFSUBFAWVFHWJJ-HNNXBMFYSA-N 1 2 349.862 1.772 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000798464760 580998293 /nfs/dbraw/zinc/99/82/93/580998293.db2.gz KFSUBFAWVFHWJJ-HNNXBMFYSA-N 1 2 349.862 1.772 20 30 EDEDLO CC(=[NH+]Nc1ccc(S(N)(=O)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799105227 581016887 /nfs/dbraw/zinc/01/68/87/581016887.db2.gz PQWIXNIVZZZHOC-UHFFFAOYSA-N 1 2 349.372 1.661 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@@](C)(c3ccccn3)CC2=O)C1=O ZINC000799143657 581018705 /nfs/dbraw/zinc/01/87/05/581018705.db2.gz NKEFKPOKGLFROB-BEFAXECRSA-N 1 2 342.443 1.248 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@@](C)(c3ccccn3)CC2=O)C1=O ZINC000799143657 581018706 /nfs/dbraw/zinc/01/87/06/581018706.db2.gz NKEFKPOKGLFROB-BEFAXECRSA-N 1 2 342.443 1.248 20 30 EDEDLO C#CC[NH+](CC#C)CCNC(=O)NC(C)(C)COCc1ccccc1 ZINC000799303120 581024736 /nfs/dbraw/zinc/02/47/36/581024736.db2.gz BUYSRWBGKZTTSS-UHFFFAOYSA-N 1 2 341.455 1.849 20 30 EDEDLO Oc1c(Br)cccc1C=NNCCC[NH+]1CCOCC1 ZINC000799486625 581029084 /nfs/dbraw/zinc/02/90/84/581029084.db2.gz IWTIEGMCEMDSBP-UHFFFAOYSA-N 1 2 342.237 1.801 20 30 EDEDLO CCc1cc(C#N)ccc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000799826880 581037702 /nfs/dbraw/zinc/03/77/02/581037702.db2.gz WIYMAPCTPFHJHW-UHFFFAOYSA-N 1 2 338.429 1.552 20 30 EDEDLO COc1ccc(C(=O)N2CC[NH+](CCO[C@@H](C)C#N)CC2)cc1OC ZINC000801910392 581087620 /nfs/dbraw/zinc/08/76/20/581087620.db2.gz KDUXVCGDUKVOCV-AWEZNQCLSA-N 1 2 347.415 1.390 20 30 EDEDLO COc1ccc(CCC(=O)N2CC[NH+](CCO[C@@H](C)C#N)CC2)cc1 ZINC000801914798 581087798 /nfs/dbraw/zinc/08/77/98/581087798.db2.gz FIJPTCKKYDDRIE-INIZCTEOSA-N 1 2 345.443 1.701 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)c2cc(C#N)cc(N(C)C)c2)C[N@@H+]1C ZINC000893574808 590976540 /nfs/dbraw/zinc/97/65/40/590976540.db2.gz MXNGQWJSYRULLL-CRAIPNDOSA-N 1 2 345.399 1.417 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)c2cc(C#N)cc(N(C)C)c2)C[N@H+]1C ZINC000893574808 590976541 /nfs/dbraw/zinc/97/65/41/590976541.db2.gz MXNGQWJSYRULLL-CRAIPNDOSA-N 1 2 345.399 1.417 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[N@@H+]1C ZINC000893577501 590980445 /nfs/dbraw/zinc/98/04/45/590980445.db2.gz NMVVLFLQWNTYHV-YYAJDYIMSA-N 1 2 342.395 1.841 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[N@H+]1C ZINC000893577501 590980448 /nfs/dbraw/zinc/98/04/48/590980448.db2.gz NMVVLFLQWNTYHV-YYAJDYIMSA-N 1 2 342.395 1.841 20 30 EDEDLO COC(=O)[C@H]1[C@@H](C[NH+]2CCN(c3ncccc3C#N)CC2)C1(F)F ZINC000893916487 591137174 /nfs/dbraw/zinc/13/71/74/591137174.db2.gz ITMSKOPLVWQOMC-CHWSQXEVSA-N 1 2 336.342 1.130 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C#N)c(F)cc2C)C1 ZINC000891604187 591145140 /nfs/dbraw/zinc/14/51/40/591145140.db2.gz VWMZGPPSJBTYAR-AWEZNQCLSA-N 1 2 342.374 1.158 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C#N)c(F)cc2C)C1 ZINC000891604187 591145143 /nfs/dbraw/zinc/14/51/43/591145143.db2.gz VWMZGPPSJBTYAR-AWEZNQCLSA-N 1 2 342.374 1.158 20 30 EDEDLO C#CCSCC(=O)OC[C@@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000892794900 591182601 /nfs/dbraw/zinc/18/26/01/591182601.db2.gz YIRSBBAEAFPZFO-ZDUSSCGKSA-N 1 2 327.446 1.702 20 30 EDEDLO C#CCSCC(=O)OC[C@@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000892794900 591182602 /nfs/dbraw/zinc/18/26/02/591182602.db2.gz YIRSBBAEAFPZFO-ZDUSSCGKSA-N 1 2 327.446 1.702 20 30 EDEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ncc(C#N)s2)CC1 ZINC000896480019 591479354 /nfs/dbraw/zinc/47/93/54/591479354.db2.gz UGBSPABYSDLYFS-UHFFFAOYSA-N 1 2 330.417 1.599 20 30 EDEDLO N#CCN1CCC[C@H](CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000896628836 591557805 /nfs/dbraw/zinc/55/78/05/591557805.db2.gz AYTGMRLKGBLICF-QGZVFWFLSA-N 1 2 337.427 1.767 20 30 EDEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)CSCc1ccc(C#N)cc1 ZINC000898884383 591577449 /nfs/dbraw/zinc/57/74/49/591577449.db2.gz QCECUECLCICAEE-AWEZNQCLSA-N 1 2 330.413 1.375 20 30 EDEDLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)CSCc1ccc(C#N)cc1 ZINC000898884384 591578704 /nfs/dbraw/zinc/57/87/04/591578704.db2.gz QCECUECLCICAEE-CQSZACIVSA-N 1 2 330.413 1.375 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC000896978539 591699039 /nfs/dbraw/zinc/69/90/39/591699039.db2.gz IAXPYRUAIWNXRW-GOSISDBHSA-N 1 2 328.412 1.231 20 30 EDEDLO N#Cc1cc(C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cs1 ZINC000895498962 591781869 /nfs/dbraw/zinc/78/18/69/591781869.db2.gz LHLLYSSXBRMSJE-LSDHHAIUSA-N 1 2 326.425 1.970 20 30 EDEDLO N#Cc1cc(C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cs1 ZINC000895498962 591781870 /nfs/dbraw/zinc/78/18/70/591781870.db2.gz LHLLYSSXBRMSJE-LSDHHAIUSA-N 1 2 326.425 1.970 20 30 EDEDLO C[N@@H+]1CCOC[C@]1(CO)CNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000895610238 591822591 /nfs/dbraw/zinc/82/25/91/591822591.db2.gz SDVAJMJZBVRXGW-CYBMUJFWSA-N 1 2 330.310 1.077 20 30 EDEDLO C[N@H+]1CCOC[C@]1(CO)CNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000895610238 591822594 /nfs/dbraw/zinc/82/25/94/591822594.db2.gz SDVAJMJZBVRXGW-CYBMUJFWSA-N 1 2 330.310 1.077 20 30 EDEDLO CC(C)[C@]1(C)CC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902599620 592022376 /nfs/dbraw/zinc/02/23/76/592022376.db2.gz HYQCBOWFVKWNSQ-KRWDZBQOSA-N 1 2 334.416 1.703 20 30 EDEDLO C[C@H](NC(=O)C(F)(F)c1ccccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000900592741 592062562 /nfs/dbraw/zinc/06/25/62/592062562.db2.gz LTKYGHMVPYVDNL-STQMWFEESA-N 1 2 337.370 1.875 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2ccc3cc[nH]c3c2)nn1 ZINC000900613745 592071295 /nfs/dbraw/zinc/07/12/95/592071295.db2.gz ULULZLNLLGHOAO-INIZCTEOSA-N 1 2 339.399 1.312 20 30 EDEDLO Cc1nc(Br)c(C=NNCCC[NH+]2CCOCC2)[nH]1 ZINC000901234779 592297462 /nfs/dbraw/zinc/29/74/62/592297462.db2.gz NPTNBWMZVAYVMS-UHFFFAOYSA-N 1 2 330.230 1.126 20 30 EDEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]N[C@@H]1CCC[C@H]1O ZINC000901333794 592331883 /nfs/dbraw/zinc/33/18/83/592331883.db2.gz NIKAZLZUWHTPMZ-HUUCEWRRSA-N 1 2 325.372 1.321 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000906996370 592467505 /nfs/dbraw/zinc/46/75/05/592467505.db2.gz LJFOXBJPSICDQN-INIZCTEOSA-N 1 2 334.441 1.153 20 30 EDEDLO C#CCNC(=S)Nc1cc2n(n1)CC[N@H+](Cc1ccccc1)C2 ZINC000905561918 592567028 /nfs/dbraw/zinc/56/70/28/592567028.db2.gz JTYIOXNRYYZGAS-UHFFFAOYSA-N 1 2 325.441 1.819 20 30 EDEDLO C#CCNC(=S)Nc1cc2n(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000905561918 592567030 /nfs/dbraw/zinc/56/70/30/592567030.db2.gz JTYIOXNRYYZGAS-UHFFFAOYSA-N 1 2 325.441 1.819 20 30 EDEDLO Cc1ccn(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c(=O)c1C#N ZINC000905701816 592615367 /nfs/dbraw/zinc/61/53/67/592615367.db2.gz RVVOAJGSVIDRBR-DYVFJYSZSA-N 1 2 330.388 1.196 20 30 EDEDLO Cc1ccn(C[N@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c(=O)c1C#N ZINC000905701816 592615369 /nfs/dbraw/zinc/61/53/69/592615369.db2.gz RVVOAJGSVIDRBR-DYVFJYSZSA-N 1 2 330.388 1.196 20 30 EDEDLO Cc1nc(N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc[nH+]1 ZINC000907373297 592615607 /nfs/dbraw/zinc/61/56/07/592615607.db2.gz HIGBSAQPHIIGQU-UHFFFAOYSA-N 1 2 336.395 1.091 20 30 EDEDLO C=CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)OC ZINC000905766971 592640233 /nfs/dbraw/zinc/64/02/33/592640233.db2.gz KDTXAYNBISIBDM-SNVBAGLBSA-N 1 2 344.355 1.008 20 30 EDEDLO N#Cc1cccc(CNC(=O)c2cccn2CC[NH+]2CCOCC2)c1 ZINC000905963240 592702602 /nfs/dbraw/zinc/70/26/02/592702602.db2.gz QXHDLDHHULNNCM-UHFFFAOYSA-N 1 2 338.411 1.622 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+]([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000026892804 592741793 /nfs/dbraw/zinc/74/17/93/592741793.db2.gz AYDQASCODJMCIQ-AWEZNQCLSA-N 1 2 342.468 1.724 20 30 EDEDLO COCCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CCC[C@H](C#N)C1 ZINC000909167610 592759302 /nfs/dbraw/zinc/75/93/02/592759302.db2.gz SDLWAQNRVZCJMD-ZNMIVQPWSA-N 1 2 348.451 1.056 20 30 EDEDLO COCCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CCC[C@H](C#N)C1 ZINC000909167610 592759303 /nfs/dbraw/zinc/75/93/03/592759303.db2.gz SDLWAQNRVZCJMD-ZNMIVQPWSA-N 1 2 348.451 1.056 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2cc(C#N)ccc2F)CC1 ZINC000888356749 593034621 /nfs/dbraw/zinc/03/46/21/593034621.db2.gz VMAXLVFFPSOPPR-UHFFFAOYSA-N 1 2 342.378 1.781 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000730276294 593108369 /nfs/dbraw/zinc/10/83/69/593108369.db2.gz JMTKUIABHYXGSG-INIZCTEOSA-N 1 2 347.440 1.263 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000730276294 593108370 /nfs/dbraw/zinc/10/83/70/593108370.db2.gz JMTKUIABHYXGSG-INIZCTEOSA-N 1 2 347.440 1.263 20 30 EDEDLO C#CCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000806913557 593127123 /nfs/dbraw/zinc/12/71/23/593127123.db2.gz ZKHNYFWJSDGRCU-CVEARBPZSA-N 1 2 349.381 1.356 20 30 EDEDLO C#CCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000806913557 593127126 /nfs/dbraw/zinc/12/71/26/593127126.db2.gz ZKHNYFWJSDGRCU-CVEARBPZSA-N 1 2 349.381 1.356 20 30 EDEDLO COC[C@@H]1CC[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000840082619 593141170 /nfs/dbraw/zinc/14/11/70/593141170.db2.gz FIKDZJAZQHWZPG-HNNXBMFYSA-N 1 2 328.372 1.001 20 30 EDEDLO COC[C@@H]1CC[N@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000840082619 593141171 /nfs/dbraw/zinc/14/11/71/593141171.db2.gz FIKDZJAZQHWZPG-HNNXBMFYSA-N 1 2 328.372 1.001 20 30 EDEDLO COCCCNC(=O)C(C#N)=C(O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000805852183 593155918 /nfs/dbraw/zinc/15/59/18/593155918.db2.gz WQPVONXIEKEVBL-KRWDZBQOSA-N 1 2 343.427 1.758 20 30 EDEDLO C#Cc1cncc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1 ZINC000807436063 593171587 /nfs/dbraw/zinc/17/15/87/593171587.db2.gz BGHLOQDAGYTXOE-UHFFFAOYSA-N 1 2 334.379 1.159 20 30 EDEDLO C#Cc1cncc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1 ZINC000807436063 593171588 /nfs/dbraw/zinc/17/15/88/593171588.db2.gz BGHLOQDAGYTXOE-UHFFFAOYSA-N 1 2 334.379 1.159 20 30 EDEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)Nc1ccccc1Br ZINC000121339670 593202261 /nfs/dbraw/zinc/20/22/61/593202261.db2.gz YCMNVDQBXBSZAK-QMMMGPOBSA-N 1 2 330.182 1.447 20 30 EDEDLO C=CCN1CCN(CN2CC[NH+](Cc3ccccc3OC)CC2)C1=O ZINC000839989632 593299840 /nfs/dbraw/zinc/29/98/40/593299840.db2.gz XYQCZAIUFAARBH-UHFFFAOYSA-N 1 2 344.459 1.694 20 30 EDEDLO C[C@H](O)c1ncc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)s1 ZINC000809638519 593351060 /nfs/dbraw/zinc/35/10/60/593351060.db2.gz AWVYDQXVHSZMDF-LBPRGKRZSA-N 1 2 329.429 1.785 20 30 EDEDLO CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1c[nH+]c(N(C)C)n1C ZINC000811638620 593475495 /nfs/dbraw/zinc/47/54/95/593475495.db2.gz SUMPNHSSVJVFBS-UHFFFAOYSA-N 1 2 349.464 1.339 20 30 EDEDLO C#C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)C(C)C ZINC000812039840 593489184 /nfs/dbraw/zinc/48/91/84/593489184.db2.gz VITSLCIVESWXNM-RBUKOAKNSA-N 1 2 343.471 1.887 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cccc2cc[nH]c21 ZINC000814717124 593601275 /nfs/dbraw/zinc/60/12/75/593601275.db2.gz PKHIHTRWSLSYRX-UHFFFAOYSA-N 1 2 331.445 1.298 20 30 EDEDLO CC(C)(C#N)[C@H]1CCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000814717348 593601287 /nfs/dbraw/zinc/60/12/87/593601287.db2.gz UVJDVTHPOGOSKF-ZDUSSCGKSA-N 1 2 337.493 1.489 20 30 EDEDLO C=CCn1cc(CNc2[nH+]cnc3c2c(Br)nn3C)nn1 ZINC000819936002 593778180 /nfs/dbraw/zinc/77/81/80/593778180.db2.gz FVDMRVUMFUYJMV-UHFFFAOYSA-N 1 2 349.196 1.515 20 30 EDEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821689152 593915148 /nfs/dbraw/zinc/91/51/48/593915148.db2.gz NGYQFMSJXATGSI-UHFFFAOYSA-N 1 2 343.391 1.057 20 30 EDEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821689152 593915149 /nfs/dbraw/zinc/91/51/49/593915149.db2.gz NGYQFMSJXATGSI-UHFFFAOYSA-N 1 2 343.391 1.057 20 30 EDEDLO N#CCCc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1 ZINC000830106328 594337985 /nfs/dbraw/zinc/33/79/85/594337985.db2.gz SYWGVPSADSHICH-MSOLQXFVSA-N 1 2 343.427 1.961 20 30 EDEDLO C#CCC[NH+]1CCC(NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)CC1 ZINC000828472808 594429853 /nfs/dbraw/zinc/42/98/53/594429853.db2.gz MFTFGLDWNVGJOF-UHFFFAOYSA-N 1 2 340.383 1.247 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC(CC#N)CC2)c(-c2nn[nH]n2)c1C ZINC000826341779 594435403 /nfs/dbraw/zinc/43/54/03/594435403.db2.gz PSIZUSRLFGADJQ-UHFFFAOYSA-N 1 2 343.391 1.641 20 30 EDEDLO N#Cc1cc(NC(=O)c2cccc3[nH+]ccn32)ccc1-c1nn[nH]n1 ZINC000826384335 594453321 /nfs/dbraw/zinc/45/33/21/594453321.db2.gz RBCWPAJSGICPPH-UHFFFAOYSA-N 1 2 330.311 1.638 20 30 EDEDLO C#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCCO1 ZINC000828853334 594518039 /nfs/dbraw/zinc/51/80/39/594518039.db2.gz XXHPGQHBURRZDV-CJNGLKHVSA-N 1 2 340.339 1.691 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)CC(F)(F)F)CC1 ZINC000826549663 594522810 /nfs/dbraw/zinc/52/28/10/594522810.db2.gz KXVPGGWHZWVRLR-UHFFFAOYSA-N 1 2 347.381 1.249 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)CC(F)(F)F)CC1 ZINC000826549663 594522811 /nfs/dbraw/zinc/52/28/11/594522811.db2.gz KXVPGGWHZWVRLR-UHFFFAOYSA-N 1 2 347.381 1.249 20 30 EDEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CSCC#N)C2)c1 ZINC000826568592 594529302 /nfs/dbraw/zinc/52/93/02/594529302.db2.gz ILYONLFTDKRFBU-MRXNPFEDSA-N 1 2 333.457 1.569 20 30 EDEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CSCC#N)C2)c1 ZINC000826568592 594529304 /nfs/dbraw/zinc/52/93/04/594529304.db2.gz ILYONLFTDKRFBU-MRXNPFEDSA-N 1 2 333.457 1.569 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000831687695 594692844 /nfs/dbraw/zinc/69/28/44/594692844.db2.gz VYXWQGNEQFYURC-CQSZACIVSA-N 1 2 341.411 1.743 20 30 EDEDLO C#CCN(CC(=O)N1CCn2cc(C)[nH+]c2C1)C(=O)OC(C)(C)C ZINC000831972123 594715658 /nfs/dbraw/zinc/71/56/58/594715658.db2.gz BIDJXMYTVWGNGC-UHFFFAOYSA-N 1 2 332.404 1.404 20 30 EDEDLO C[C@@H](ON=C(N)C[NH+]1CCSCC1)C(=O)N(C)c1ccccc1 ZINC000121461923 594991690 /nfs/dbraw/zinc/99/16/90/594991690.db2.gz CWRZTPDESFLSCA-CYBMUJFWSA-N 1 2 336.461 1.376 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C ZINC000837141731 595043264 /nfs/dbraw/zinc/04/32/64/595043264.db2.gz LTFFYFNHUKWALE-HNNXBMFYSA-N 1 2 349.456 1.281 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C ZINC000837141731 595043268 /nfs/dbraw/zinc/04/32/68/595043268.db2.gz LTFFYFNHUKWALE-HNNXBMFYSA-N 1 2 349.456 1.281 20 30 EDEDLO C#CCCCC(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000843515079 595139067 /nfs/dbraw/zinc/13/90/67/595139067.db2.gz YIZOFVUGHVMLCE-UHFFFAOYSA-N 1 2 332.469 1.671 20 30 EDEDLO N#Cc1ccc(NC(=O)CO[NH+]=C(N)COC[C@@H]2CCCO2)cc1 ZINC000842654612 595158695 /nfs/dbraw/zinc/15/86/95/595158695.db2.gz ABQCINMCOXYBGN-AWEZNQCLSA-N 1 2 332.360 1.191 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000834785870 595211829 /nfs/dbraw/zinc/21/18/29/595211829.db2.gz JBTNXUUMAUHXQX-CRAIPNDOSA-N 1 2 339.439 1.551 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000834785870 595211833 /nfs/dbraw/zinc/21/18/33/595211833.db2.gz JBTNXUUMAUHXQX-CRAIPNDOSA-N 1 2 339.439 1.551 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2c3ccccc3N(C)CC[C@@H]2C)CC1 ZINC000121480591 595256167 /nfs/dbraw/zinc/25/61/67/595256167.db2.gz ORAXMDZLRPPWHC-KRWDZBQOSA-N 1 2 340.471 1.499 20 30 EDEDLO N#Cc1ccccc1N1CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844286986 595316555 /nfs/dbraw/zinc/31/65/55/595316555.db2.gz BENMYBSRGHSKIS-INIZCTEOSA-N 1 2 326.400 1.663 20 30 EDEDLO C=C[C@H](C)ONC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000844500193 595350926 /nfs/dbraw/zinc/35/09/26/595350926.db2.gz YDJYLXKKDHCFFU-ZDUSSCGKSA-N 1 2 332.404 1.702 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000847026578 595352712 /nfs/dbraw/zinc/35/27/12/595352712.db2.gz FWNBFUGBYPCHDB-ZDUSSCGKSA-N 1 2 331.441 1.548 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000847026578 595352715 /nfs/dbraw/zinc/35/27/15/595352715.db2.gz FWNBFUGBYPCHDB-ZDUSSCGKSA-N 1 2 331.441 1.548 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1sc(N2CCCC2)nc1Cl ZINC000844528898 595355591 /nfs/dbraw/zinc/35/55/91/595355591.db2.gz MMEMDBZYUCXDMF-AWEZNQCLSA-N 1 2 341.868 1.970 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cccc2c1CCC2 ZINC000844567813 595359881 /nfs/dbraw/zinc/35/98/81/595359881.db2.gz VHIRFTRURTXOKN-UHFFFAOYSA-N 1 2 332.473 1.306 20 30 EDEDLO C#CCN(C)c1cnc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)cn1 ZINC000844867833 595404933 /nfs/dbraw/zinc/40/49/33/595404933.db2.gz IGZHGXKTCSLFKX-UHFFFAOYSA-N 1 2 349.398 1.720 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(C(=O)OC(C)(C)C)nc2)CC1 ZINC000845500862 595508228 /nfs/dbraw/zinc/50/82/28/595508228.db2.gz ORJNRVVSUPKQOQ-UHFFFAOYSA-N 1 2 329.400 1.428 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000845505124 595508606 /nfs/dbraw/zinc/50/86/06/595508606.db2.gz PCVPYHMLJFISCE-IAGOWNOFSA-N 1 2 338.411 1.748 20 30 EDEDLO C=CCN(C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@@H](C)COC ZINC000850587182 595539150 /nfs/dbraw/zinc/53/91/50/595539150.db2.gz RLWLSRCDTUHRQM-ZDUSSCGKSA-N 1 2 334.420 1.444 20 30 EDEDLO CN(CC1CC1)C(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000112969375 595588762 /nfs/dbraw/zinc/58/87/62/595588762.db2.gz SZTXBVAVLWCAMV-UHFFFAOYSA-N 1 2 345.447 1.577 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCC[C@@H](OC(=O)CC2(C#N)CCOCC2)C1 ZINC000850865375 595659170 /nfs/dbraw/zinc/65/91/70/595659170.db2.gz YXKRQSYMOFJMMN-CQSZACIVSA-N 1 2 338.404 1.268 20 30 EDEDLO CCOC(=O)C[N@H+]1CCC[C@@H](OC(=O)CC2(C#N)CCOCC2)C1 ZINC000850865375 595659173 /nfs/dbraw/zinc/65/91/73/595659173.db2.gz YXKRQSYMOFJMMN-CQSZACIVSA-N 1 2 338.404 1.268 20 30 EDEDLO COc1cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc1OC(F)F ZINC000853120637 595671975 /nfs/dbraw/zinc/67/19/75/595671975.db2.gz NLTOZLMSTWHTNV-LBPRGKRZSA-N 1 2 329.347 1.915 20 30 EDEDLO COc1cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc1OC(F)F ZINC000853120637 595671978 /nfs/dbraw/zinc/67/19/78/595671978.db2.gz NLTOZLMSTWHTNV-LBPRGKRZSA-N 1 2 329.347 1.915 20 30 EDEDLO C#CCCN(CCOC)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000853280855 595726552 /nfs/dbraw/zinc/72/65/52/595726552.db2.gz RBLQDLODLKQQKC-UHFFFAOYSA-N 1 2 330.432 1.863 20 30 EDEDLO O=[N+]([O-])c1ccc(CS(=O)(=O)NN=Cc2c[nH+]c3n2CCC3)cc1 ZINC000853297563 595731125 /nfs/dbraw/zinc/73/11/25/595731125.db2.gz HMXBUUUYNFGKAT-UHFFFAOYSA-N 1 2 349.372 1.191 20 30 EDEDLO C#CCCN(CCOC)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000853317471 595734151 /nfs/dbraw/zinc/73/41/51/595734151.db2.gz ZPHPTQKZCMJVIN-UHFFFAOYSA-N 1 2 346.431 1.100 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000853326141 595736003 /nfs/dbraw/zinc/73/60/03/595736003.db2.gz UFTMMAAIXVRVAH-UHFFFAOYSA-N 1 2 336.417 1.226 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000853326141 595736006 /nfs/dbraw/zinc/73/60/06/595736006.db2.gz UFTMMAAIXVRVAH-UHFFFAOYSA-N 1 2 336.417 1.226 20 30 EDEDLO Cc1ccc(F)cc1N[NH+]=Cc1c(=O)n(C)c(=O)n(C)c1N(C)C ZINC000853393325 595746426 /nfs/dbraw/zinc/74/64/26/595746426.db2.gz CFUGXRDCKYNUOK-UHFFFAOYSA-N 1 2 333.367 1.044 20 30 EDEDLO Cc1nc(C)c(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000853657259 595848194 /nfs/dbraw/zinc/84/81/94/595848194.db2.gz BQTMHSFFCNCNAF-UHFFFAOYSA-N 1 2 344.415 1.961 20 30 EDEDLO CC(C)(C)C#CC(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000856077082 595888881 /nfs/dbraw/zinc/88/88/81/595888881.db2.gz AKCKHIBQMDOLAZ-HXUWFJFHSA-N 1 2 344.455 1.416 20 30 EDEDLO CC(C)(C)C#CC(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000856077082 595888883 /nfs/dbraw/zinc/88/88/83/595888883.db2.gz AKCKHIBQMDOLAZ-HXUWFJFHSA-N 1 2 344.455 1.416 20 30 EDEDLO C#C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C1CCOCC1 ZINC000856108308 595897168 /nfs/dbraw/zinc/89/71/68/595897168.db2.gz GTIANFPQMSRAKG-LJQANCHMSA-N 1 2 342.439 1.677 20 30 EDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000851737611 595902064 /nfs/dbraw/zinc/90/20/64/595902064.db2.gz JJAKFFPBHDTYMB-MRXNPFEDSA-N 1 2 332.375 1.425 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000851737611 595902067 /nfs/dbraw/zinc/90/20/67/595902067.db2.gz JJAKFFPBHDTYMB-MRXNPFEDSA-N 1 2 332.375 1.425 20 30 EDEDLO N#CC1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000858924194 595923688 /nfs/dbraw/zinc/92/36/88/595923688.db2.gz LQKAGMGFPVMZRO-QGZVFWFLSA-N 1 2 343.431 1.228 20 30 EDEDLO N#CC1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000858924194 595923692 /nfs/dbraw/zinc/92/36/92/595923692.db2.gz LQKAGMGFPVMZRO-QGZVFWFLSA-N 1 2 343.431 1.228 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000859027897 595954452 /nfs/dbraw/zinc/95/44/52/595954452.db2.gz NHFCJAJMAHVYBJ-XJKSGUPXSA-N 1 2 344.390 1.986 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000852129145 596054641 /nfs/dbraw/zinc/05/46/41/596054641.db2.gz MBYNXMWEMQJOJL-CQSZACIVSA-N 1 2 335.427 1.551 20 30 EDEDLO C=CC[N@H+](Cc1c(C)nn(CCS(C)(=O)=O)c1C)[C@H](C)COC ZINC000852356784 596135278 /nfs/dbraw/zinc/13/52/78/596135278.db2.gz OACRIAAUDSXWGC-CYBMUJFWSA-N 1 2 343.493 1.567 20 30 EDEDLO C=CC[N@@H+](Cc1c(C)nn(CCS(C)(=O)=O)c1C)[C@H](C)COC ZINC000852356784 596135279 /nfs/dbraw/zinc/13/52/79/596135279.db2.gz OACRIAAUDSXWGC-CYBMUJFWSA-N 1 2 343.493 1.567 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(O)(CO)CC2)cc1C ZINC000852499680 596183835 /nfs/dbraw/zinc/18/38/35/596183835.db2.gz WBMWOOYLJJZEQO-UHFFFAOYSA-N 1 2 345.443 1.369 20 30 EDEDLO COC(=O)c1cccc(C[NH+]2CCC(N3CCOC3=O)CC2)c1C#N ZINC000852721314 596232836 /nfs/dbraw/zinc/23/28/36/596232836.db2.gz MAHQBMUQPFMKEL-UHFFFAOYSA-N 1 2 343.383 1.761 20 30 EDEDLO CO[C@H]1C[C@@H]2CN(C(=O)C3(C#N)CC(C)C3)Cc3ccc[nH+]c3N2C1 ZINC000870538206 596275916 /nfs/dbraw/zinc/27/59/16/596275916.db2.gz NPUYMZDODZSKDT-VTLRXDCVSA-N 1 2 340.427 1.957 20 30 EDEDLO N#C[C@@]1(NC(=O)/C=C\C[NH+]2CCOCC2)CCc2ccccc2C1 ZINC000867473202 596385292 /nfs/dbraw/zinc/38/52/92/596385292.db2.gz FJLRMZULBJSIBS-WSGSOLELSA-N 1 2 325.412 1.442 20 30 EDEDLO C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1OC ZINC000862972662 596470739 /nfs/dbraw/zinc/47/07/39/596470739.db2.gz FDGPUNURAIVSAB-IQIBNGDESA-N 1 2 346.427 1.720 20 30 EDEDLO C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2COCC[N@H+]2C)cc1OC ZINC000862972662 596470742 /nfs/dbraw/zinc/47/07/42/596470742.db2.gz FDGPUNURAIVSAB-IQIBNGDESA-N 1 2 346.427 1.720 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000867710744 596508041 /nfs/dbraw/zinc/50/80/41/596508041.db2.gz DZKLUSDZFVORAA-OAHLLOKOSA-N 1 2 325.409 1.412 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1 ZINC000867710744 596508042 /nfs/dbraw/zinc/50/80/42/596508042.db2.gz DZKLUSDZFVORAA-OAHLLOKOSA-N 1 2 325.409 1.412 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 ZINC000865193257 596509398 /nfs/dbraw/zinc/50/93/98/596509398.db2.gz DGJOLCMMHUHXPZ-UHFFFAOYSA-N 1 2 348.410 1.731 20 30 EDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N(CC#N)CCC(=O)OC ZINC000871339492 596535273 /nfs/dbraw/zinc/53/52/73/596535273.db2.gz MJVNUZJYYGDTOI-UHFFFAOYSA-N 1 2 328.372 1.514 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871543559 596622635 /nfs/dbraw/zinc/62/26/35/596622635.db2.gz OGLSWKQQXKNXTI-UHFFFAOYSA-N 1 2 347.415 1.996 20 30 EDEDLO C=CCn1cc(C[NH2+]Cc2cc(Br)cnc2OC)nn1 ZINC000865608457 596625790 /nfs/dbraw/zinc/62/57/90/596625790.db2.gz JZLIMPIJEBSJGI-UHFFFAOYSA-N 1 2 338.209 1.920 20 30 EDEDLO C#CCn1ccc(CN(CC)c2nc(N)[nH+]c(C3CCCC3)n2)n1 ZINC000865736958 596664488 /nfs/dbraw/zinc/66/44/88/596664488.db2.gz VXEYQKUKDANQDX-UHFFFAOYSA-N 1 2 325.420 1.968 20 30 EDEDLO C#CCn1ccc(CN(CC)c2nc(N)nc(C3CCCC3)[nH+]2)n1 ZINC000865736958 596664491 /nfs/dbraw/zinc/66/44/91/596664491.db2.gz VXEYQKUKDANQDX-UHFFFAOYSA-N 1 2 325.420 1.968 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OCC)CC1 ZINC000865795554 596686536 /nfs/dbraw/zinc/68/65/36/596686536.db2.gz KCMWNHRBMIUGQM-KRWDZBQOSA-N 1 2 343.427 1.121 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000865796287 596687565 /nfs/dbraw/zinc/68/75/65/596687565.db2.gz ZTIPGGLJRINKRC-UHFFFAOYSA-N 1 2 338.411 1.065 20 30 EDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)NCCCCC#N)CC1 ZINC000868212077 596726229 /nfs/dbraw/zinc/72/62/29/596726229.db2.gz UWSAPGDULRPARZ-UHFFFAOYSA-N 1 2 338.452 1.786 20 30 EDEDLO C#CCCCNC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000868323166 596787493 /nfs/dbraw/zinc/78/74/93/596787493.db2.gz AKGYODWZQUUXSU-SFHVURJKSA-N 1 2 329.444 1.908 20 30 EDEDLO C#CCCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000868323166 596787496 /nfs/dbraw/zinc/78/74/96/596787496.db2.gz AKGYODWZQUUXSU-SFHVURJKSA-N 1 2 329.444 1.908 20 30 EDEDLO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866233893 596835063 /nfs/dbraw/zinc/83/50/63/596835063.db2.gz UYQZCPQYKIDRAC-GFCCVEGCSA-N 1 2 325.434 1.586 20 30 EDEDLO C=CCc1ccc(OS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)c(OC)c1 ZINC000866408863 596878650 /nfs/dbraw/zinc/87/86/50/596878650.db2.gz QAPASBJVFBBFQU-CQSZACIVSA-N 1 2 341.429 1.463 20 30 EDEDLO C=CCc1ccc(OS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)c(OC)c1 ZINC000866408863 596878652 /nfs/dbraw/zinc/87/86/52/596878652.db2.gz QAPASBJVFBBFQU-CQSZACIVSA-N 1 2 341.429 1.463 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cccc2ncccc12 ZINC000872329161 596881342 /nfs/dbraw/zinc/88/13/42/596881342.db2.gz KWZPABGLIMBONQ-UHFFFAOYSA-N 1 2 343.456 1.365 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCc1ccc(C#N)cc1 ZINC000875717018 596959272 /nfs/dbraw/zinc/95/92/72/596959272.db2.gz UMNFCNIHHQCEIY-KRWDZBQOSA-N 1 2 330.432 1.511 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCCc1ccc(C#N)cc1 ZINC000875717018 596959274 /nfs/dbraw/zinc/95/92/74/596959274.db2.gz UMNFCNIHHQCEIY-KRWDZBQOSA-N 1 2 330.432 1.511 20 30 EDEDLO CC1(C)C(=O)N(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)[C@@H]1C1CC1 ZINC000872794341 597072420 /nfs/dbraw/zinc/07/24/20/597072420.db2.gz HTCWISMOLIBRPW-QGZVFWFLSA-N 1 2 339.443 1.680 20 30 EDEDLO CC(C)[C@@H]1CCN(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1=O ZINC000872795761 597073842 /nfs/dbraw/zinc/07/38/42/597073842.db2.gz NNWCHHYJGWLPTR-KRWDZBQOSA-N 1 2 327.432 1.537 20 30 EDEDLO C=CC(C)(C)CCCNC(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000872907460 597119806 /nfs/dbraw/zinc/11/98/06/597119806.db2.gz OJROKMPFIFWHAA-HNNXBMFYSA-N 1 2 339.480 1.274 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CSc1ccc(C#N)cc1 ZINC000874702839 597146592 /nfs/dbraw/zinc/14/65/92/597146592.db2.gz KXVVPJOIMMVBGI-OAHLLOKOSA-N 1 2 333.457 1.877 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)CSc1ccc(C#N)cc1 ZINC000874702839 597146593 /nfs/dbraw/zinc/14/65/93/597146593.db2.gz KXVVPJOIMMVBGI-OAHLLOKOSA-N 1 2 333.457 1.877 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CC1 ZINC000876443971 597207085 /nfs/dbraw/zinc/20/70/85/597207085.db2.gz MQAMOAFFGKRKJK-JCNLHEQBSA-N 1 2 329.448 1.439 20 30 EDEDLO CCCCCCCNC(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000875088362 597276878 /nfs/dbraw/zinc/27/68/78/597276878.db2.gz LHVZYTRGASEJLD-UHFFFAOYSA-N 1 2 334.464 1.965 20 30 EDEDLO CO[C@H]1C[C@H]2CN(C(=O)NCCCCC#N)Cc3ccc[nH+]c3N2C1 ZINC000875235826 597345054 /nfs/dbraw/zinc/34/50/54/597345054.db2.gz QFKFOGGTJNSUML-HOTGVXAUSA-N 1 2 343.431 1.894 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3C[C@H]([NH3+])C[C@@H]3C)cc2[nH]c1=S ZINC000877174300 597452467 /nfs/dbraw/zinc/45/24/67/597452467.db2.gz RPKDSAGZMKAFAQ-CMPLNLGQSA-N 1 2 344.440 1.433 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000875541802 597470769 /nfs/dbraw/zinc/47/07/69/597470769.db2.gz QGPCGWNLADTSRE-SJLPKXTDSA-N 1 2 342.443 1.956 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000875541802 597470772 /nfs/dbraw/zinc/47/07/72/597470772.db2.gz QGPCGWNLADTSRE-SJLPKXTDSA-N 1 2 342.443 1.956 20 30 EDEDLO COCCOCCN1CC[NH+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000877615596 597541708 /nfs/dbraw/zinc/54/17/08/597541708.db2.gz TXNXZBPCZWJJKR-UHFFFAOYSA-N 1 2 346.475 1.405 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)CC(=O)N1CCCC1)c1ccccc1 ZINC000877893790 597562207 /nfs/dbraw/zinc/56/22/07/597562207.db2.gz WRWWYNQBJCLYQC-LJQANCHMSA-N 1 2 327.428 1.981 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@H+](C)CC(=O)N1CCCC1)c1ccccc1 ZINC000877893790 597562208 /nfs/dbraw/zinc/56/22/08/597562208.db2.gz WRWWYNQBJCLYQC-LJQANCHMSA-N 1 2 327.428 1.981 20 30 EDEDLO CC(C)N1CC[C@@H]([NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1=O ZINC000879588247 597646045 /nfs/dbraw/zinc/64/60/45/597646045.db2.gz BLEVMYJHDGWDBV-QGZVFWFLSA-N 1 2 330.407 1.829 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000884170942 598013425 /nfs/dbraw/zinc/01/34/25/598013425.db2.gz JQTUXPJQTXAUGZ-IFOZYUSPSA-N 1 2 332.400 1.502 20 30 EDEDLO N#CCc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000881150540 598087845 /nfs/dbraw/zinc/08/78/45/598087845.db2.gz PKQDJELVCWHLBD-OAHLLOKOSA-N 1 2 329.404 1.476 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H]2CN(C3CCCCC3)C(=O)O2)nn1 ZINC000881370564 598135172 /nfs/dbraw/zinc/13/51/72/598135172.db2.gz ZDUKRABXKOGEFZ-INIZCTEOSA-N 1 2 331.420 1.545 20 30 EDEDLO C#CCN(C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(C)C ZINC000914328238 695361710 /nfs/dbraw/zinc/36/17/10/695361710.db2.gz JZEBUIPYSKDOME-MRXNPFEDSA-N 1 2 325.478 1.248 20 30 EDEDLO CCn1nncc1C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC000993209151 695805902 /nfs/dbraw/zinc/80/59/02/695805902.db2.gz YQZCNQFSNSPODN-LRDDRELGSA-N 1 2 341.419 1.281 20 30 EDEDLO CCn1nncc1C[N@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC000993209151 695805905 /nfs/dbraw/zinc/80/59/05/695805905.db2.gz YQZCNQFSNSPODN-LRDDRELGSA-N 1 2 341.419 1.281 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)cn1 ZINC001060535741 695835288 /nfs/dbraw/zinc/83/52/88/695835288.db2.gz SWVRXFRPLBYUFH-IAOVAPTHSA-N 1 2 336.399 1.499 20 30 EDEDLO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@H]1C ZINC000993339770 695994326 /nfs/dbraw/zinc/99/43/26/695994326.db2.gz SZORSSNAXJHJQD-TZMCWYRMSA-N 1 2 340.445 1.842 20 30 EDEDLO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@H]1C ZINC000993339770 695994327 /nfs/dbraw/zinc/99/43/27/695994327.db2.gz SZORSSNAXJHJQD-TZMCWYRMSA-N 1 2 340.445 1.842 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H](Cc3ccccc3)OC)C2)cn1 ZINC001031278261 696109048 /nfs/dbraw/zinc/10/90/48/696109048.db2.gz JLAYNTMZFATGLU-FQEVSTJZSA-N 1 2 349.434 1.735 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2c(C)nnn2CC)[C@H]1C ZINC000993427311 696109270 /nfs/dbraw/zinc/10/92/70/696109270.db2.gz GZBSACVVLGYQCH-CHWSQXEVSA-N 1 2 325.844 1.942 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2c(C)nnn2CC)[C@H]1C ZINC000993427311 696109271 /nfs/dbraw/zinc/10/92/71/696109271.db2.gz GZBSACVVLGYQCH-CHWSQXEVSA-N 1 2 325.844 1.942 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)CCCN1CC#N ZINC000993921737 696461715 /nfs/dbraw/zinc/46/17/15/696461715.db2.gz XNPKRWYXEQFLIU-CVEARBPZSA-N 1 2 334.464 1.124 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cnon2)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000994036171 696501685 /nfs/dbraw/zinc/50/16/85/696501685.db2.gz GLIGGJVKNPFJAK-NHYWBVRUSA-N 1 2 343.362 1.863 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cnon2)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000994036171 696501686 /nfs/dbraw/zinc/50/16/86/696501686.db2.gz GLIGGJVKNPFJAK-NHYWBVRUSA-N 1 2 343.362 1.863 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)C1CCOCC1 ZINC001031513937 697195092 /nfs/dbraw/zinc/19/50/92/697195092.db2.gz VTIJPCCXPFTOCQ-UHFFFAOYSA-N 1 2 330.403 1.652 20 30 EDEDLO CN(CCC#N)S(=O)(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000918852013 697216782 /nfs/dbraw/zinc/21/67/82/697216782.db2.gz FXGXVLJPKBBMKZ-UHFFFAOYSA-N 1 2 333.417 1.230 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)Cc2c(C)cc(C#N)cc2C)C1 ZINC000919875389 697357120 /nfs/dbraw/zinc/35/71/20/697357120.db2.gz STBOJHHPWNPZMI-KRWDZBQOSA-N 1 2 345.468 1.692 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2c(C)cc(C#N)cc2C)C1 ZINC000919875389 697357123 /nfs/dbraw/zinc/35/71/23/697357123.db2.gz STBOJHHPWNPZMI-KRWDZBQOSA-N 1 2 345.468 1.692 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000921322668 697551672 /nfs/dbraw/zinc/55/16/72/697551672.db2.gz WQQCLOQGRHFYHG-CABCVRRESA-N 1 2 337.470 1.416 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000921322668 697551674 /nfs/dbraw/zinc/55/16/74/697551674.db2.gz WQQCLOQGRHFYHG-CABCVRRESA-N 1 2 337.470 1.416 20 30 EDEDLO C=C1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000994828521 698092565 /nfs/dbraw/zinc/09/25/65/698092565.db2.gz UNMIARJDPOFDJT-HUUCEWRRSA-N 1 2 328.416 1.587 20 30 EDEDLO C=C1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000994828521 698092571 /nfs/dbraw/zinc/09/25/71/698092571.db2.gz UNMIARJDPOFDJT-HUUCEWRRSA-N 1 2 328.416 1.587 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3scnc3C(F)F)CC2)C1 ZINC000941483616 701554331 /nfs/dbraw/zinc/55/43/31/701554331.db2.gz DZGBJQZJRUXCAS-UHFFFAOYSA-N 1 2 340.399 1.156 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)CC2)C1 ZINC000941536703 701574421 /nfs/dbraw/zinc/57/44/21/701574421.db2.gz CIKXWUBSSWZDJO-KGLIPLIRSA-N 1 2 343.393 1.427 20 30 EDEDLO C[C@@H]1COCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031959921 701582962 /nfs/dbraw/zinc/58/29/62/701582962.db2.gz HESJISQQBIYCDM-DYVFJYSZSA-N 1 2 345.418 1.918 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3cc(C)oc3C)CC2)C1 ZINC000941607491 701595047 /nfs/dbraw/zinc/59/50/47/701595047.db2.gz PLJBZPTWLQIXCB-HNNXBMFYSA-N 1 2 329.444 1.462 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4cnccc4c3)CC2)C1 ZINC000941629917 701599908 /nfs/dbraw/zinc/59/99/08/701599908.db2.gz AGRUNGCMCKULLM-UHFFFAOYSA-N 1 2 334.423 1.310 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4c([nH]3)CCCC4)CC2)C1 ZINC000941632478 701600734 /nfs/dbraw/zinc/60/07/34/701600734.db2.gz HISVKNPXRHESIQ-UHFFFAOYSA-N 1 2 340.471 1.359 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)noc3CC)CC2)C1 ZINC000941665383 701619106 /nfs/dbraw/zinc/61/91/06/701619106.db2.gz VTFHRVWAQUWLQS-UHFFFAOYSA-N 1 2 330.432 1.011 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940795791 700915063 /nfs/dbraw/zinc/91/50/63/700915063.db2.gz SRHOMOMYHVGZKG-HUUCEWRRSA-N 1 2 340.489 1.194 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940795791 700915065 /nfs/dbraw/zinc/91/50/65/700915065.db2.gz SRHOMOMYHVGZKG-HUUCEWRRSA-N 1 2 340.489 1.194 20 30 EDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C(C)(C)C1 ZINC000941142370 701202529 /nfs/dbraw/zinc/20/25/29/701202529.db2.gz SBHGLKWJINPUSW-MRXNPFEDSA-N 1 2 337.427 1.935 20 30 EDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C(C)(C)C1 ZINC000941142370 701202531 /nfs/dbraw/zinc/20/25/31/701202531.db2.gz SBHGLKWJINPUSW-MRXNPFEDSA-N 1 2 337.427 1.935 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCN(C(=O)C#CC3CC3)C2)c[nH+]1 ZINC000941269139 701430222 /nfs/dbraw/zinc/43/02/22/701430222.db2.gz HSRPYXZBVNTGGT-OAHLLOKOSA-N 1 2 328.416 1.057 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)C1 ZINC000941457406 701543381 /nfs/dbraw/zinc/54/33/81/701543381.db2.gz XRPMJNSXQWKOKV-FQEVSTJZSA-N 1 2 337.467 1.568 20 30 EDEDLO C=C1CCC(C(=O)NCC2C[NH+](C[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001031951834 701548511 /nfs/dbraw/zinc/54/85/11/701548511.db2.gz QAKVTLWKGGTMAO-AWEZNQCLSA-N 1 2 340.489 1.216 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](C)C1 ZINC000941851165 701958263 /nfs/dbraw/zinc/95/82/63/701958263.db2.gz RNRDPWVSPRLAEF-BXKDBHETSA-N 1 2 327.226 1.759 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](C)C1 ZINC000941851165 701958266 /nfs/dbraw/zinc/95/82/66/701958266.db2.gz RNRDPWVSPRLAEF-BXKDBHETSA-N 1 2 327.226 1.759 20 30 EDEDLO CCn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)nn1 ZINC000941929357 702155810 /nfs/dbraw/zinc/15/58/10/702155810.db2.gz LJZDXNKBYPQNNJ-IUODEOHRSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1cc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)nn1 ZINC000941929357 702155811 /nfs/dbraw/zinc/15/58/11/702155811.db2.gz LJZDXNKBYPQNNJ-IUODEOHRSA-N 1 2 341.419 1.138 20 30 EDEDLO Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC000941967105 702227757 /nfs/dbraw/zinc/22/77/57/702227757.db2.gz QLFQTGCEBCLZHK-GXFFZTMASA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC000941967105 702227759 /nfs/dbraw/zinc/22/77/59/702227759.db2.gz QLFQTGCEBCLZHK-GXFFZTMASA-N 1 2 328.376 1.218 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@@H](C)C1 ZINC000941979690 702269012 /nfs/dbraw/zinc/26/90/12/702269012.db2.gz MSLIZOMQOIAQNY-GXFFZTMASA-N 1 2 339.237 1.825 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cncnc2)[C@@H](C)C1 ZINC000941979690 702269017 /nfs/dbraw/zinc/26/90/17/702269017.db2.gz MSLIZOMQOIAQNY-GXFFZTMASA-N 1 2 339.237 1.825 20 30 EDEDLO COc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)n1 ZINC001032667656 706682792 /nfs/dbraw/zinc/68/27/92/706682792.db2.gz LLKNASUSWXSQEZ-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO COc1cncc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)n1 ZINC001032667656 706682794 /nfs/dbraw/zinc/68/27/94/706682794.db2.gz LLKNASUSWXSQEZ-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](Cc2cnon2)C[C@@H]1C ZINC000942129334 702632608 /nfs/dbraw/zinc/63/26/08/702632608.db2.gz IZBIPLGJKQIITL-ZFWWWQNUSA-N 1 2 329.404 1.698 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2cnon2)C[C@@H]1C ZINC000942129334 702632611 /nfs/dbraw/zinc/63/26/11/702632611.db2.gz IZBIPLGJKQIITL-ZFWWWQNUSA-N 1 2 329.404 1.698 20 30 EDEDLO CN(C)c1nc(C[NH2+]C2CCN(C(=O)C#CC3CC3)CC2)ns1 ZINC000996383766 702748632 /nfs/dbraw/zinc/74/86/32/702748632.db2.gz OXZCCBGITFAAJZ-UHFFFAOYSA-N 1 2 333.461 1.098 20 30 EDEDLO CC1(C)CN(C(=O)Cc2ncn[nH]2)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC000996506540 702827721 /nfs/dbraw/zinc/82/77/21/702827721.db2.gz MXSFWBSRQIDYJY-OAHLLOKOSA-N 1 2 338.415 1.246 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000942447693 702943512 /nfs/dbraw/zinc/94/35/12/702943512.db2.gz BRZAXQBIEIBEQT-MGPQQGTHSA-N 1 2 330.432 1.453 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC(=O)Nc3ccon3)C[C@H]2C)C1 ZINC000942607380 703123143 /nfs/dbraw/zinc/12/31/43/703123143.db2.gz DOOHHCNWAQPOJV-KGLIPLIRSA-N 1 2 346.431 1.796 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(=O)Nc3ccon3)C[C@H]2C)C1 ZINC000942607380 703123144 /nfs/dbraw/zinc/12/31/44/703123144.db2.gz DOOHHCNWAQPOJV-KGLIPLIRSA-N 1 2 346.431 1.796 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)C[C@@H]2C)c1 ZINC000942619178 703148704 /nfs/dbraw/zinc/14/87/04/703148704.db2.gz ZRXOYMGMMWJVEU-WMLDXEAASA-N 1 2 335.411 1.493 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)C[C@@H]2C)c1 ZINC000942619178 703148707 /nfs/dbraw/zinc/14/87/07/703148707.db2.gz ZRXOYMGMMWJVEU-WMLDXEAASA-N 1 2 335.411 1.493 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2snnc2C)C1 ZINC001032047857 703325270 /nfs/dbraw/zinc/32/52/70/703325270.db2.gz PUNQICWAQFVAOI-ZFWWWQNUSA-N 1 2 336.461 1.376 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCN(C)C1=O ZINC001032423186 703582787 /nfs/dbraw/zinc/58/27/87/703582787.db2.gz ZFFXEBCAOKUHKE-RWMBFGLXSA-N 1 2 325.840 1.281 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCN(C)C1=O ZINC001032423186 703582789 /nfs/dbraw/zinc/58/27/89/703582789.db2.gz ZFFXEBCAOKUHKE-RWMBFGLXSA-N 1 2 325.840 1.281 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001032454877 703631995 /nfs/dbraw/zinc/63/19/95/703631995.db2.gz OAYVXMGIFIBGQX-FJIDUMEYSA-N 1 2 343.471 1.476 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC001032454877 703631996 /nfs/dbraw/zinc/63/19/96/703631996.db2.gz OAYVXMGIFIBGQX-FJIDUMEYSA-N 1 2 343.471 1.476 20 30 EDEDLO C=CC[NH+]1CCC([C@@H](C)NC(=O)c2cn[nH]c2-c2cnn(C)c2)CC1 ZINC000997387291 703656279 /nfs/dbraw/zinc/65/62/79/703656279.db2.gz YHOQRYMFUGPARK-CYBMUJFWSA-N 1 2 342.447 1.827 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)c3c(C)cc(C)[nH+]c3C)C2)nc1 ZINC000997556960 703829249 /nfs/dbraw/zinc/82/92/49/703829249.db2.gz NOSZJNATPOLJQJ-UHFFFAOYSA-N 1 2 348.406 1.638 20 30 EDEDLO Cn1cc[nH+]c1CCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](NCC#N)C1 ZINC000998275994 705660184 /nfs/dbraw/zinc/66/01/84/705660184.db2.gz KYGPURSCPPPATM-RYUDHWBXSA-N 1 2 343.353 1.245 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(F)(F)F)s2)C1 ZINC000998757219 706192278 /nfs/dbraw/zinc/19/22/78/706192278.db2.gz WIWJHGRNLFNWNS-IUCAKERBSA-N 1 2 347.366 1.797 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000999360068 706850290 /nfs/dbraw/zinc/85/02/90/706850290.db2.gz ZZBRRSWHZSFWPV-ACJLOTCBSA-N 1 2 330.432 1.759 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC000999390809 706904144 /nfs/dbraw/zinc/90/41/44/706904144.db2.gz IETRBNIERASNOL-AEFFLSMTSA-N 1 2 344.459 1.470 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001033249167 707229955 /nfs/dbraw/zinc/22/99/55/707229955.db2.gz RXNIWEDWNRYVMN-OLZOCXBDSA-N 1 2 328.844 1.062 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001033249167 707229956 /nfs/dbraw/zinc/22/99/56/707229956.db2.gz RXNIWEDWNRYVMN-OLZOCXBDSA-N 1 2 328.844 1.062 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001033309376 707476622 /nfs/dbraw/zinc/47/66/22/707476622.db2.gz MISDWRAZYKGNMW-OLZOCXBDSA-N 1 2 338.839 1.812 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC001033309376 707476625 /nfs/dbraw/zinc/47/66/25/707476625.db2.gz MISDWRAZYKGNMW-OLZOCXBDSA-N 1 2 338.839 1.812 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](C)[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001005112735 707592481 /nfs/dbraw/zinc/59/24/81/707592481.db2.gz RAVMWPOMCKORHT-XJKSGUPXSA-N 1 2 344.459 1.970 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001005112951 707593223 /nfs/dbraw/zinc/59/32/23/707593223.db2.gz RNUYITAIZRJLDO-SWLSCSKDSA-N 1 2 332.448 1.826 20 30 EDEDLO C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001061591719 707613302 /nfs/dbraw/zinc/61/33/02/707613302.db2.gz JYVMTFSJCBDTBX-HZPDHXFCSA-N 1 2 348.447 1.534 20 30 EDEDLO C#Cc1cncc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C)o3)C2)c1 ZINC001000135674 707755324 /nfs/dbraw/zinc/75/53/24/707755324.db2.gz DUOJSYLNNGDXEP-OAHLLOKOSA-N 1 2 325.372 1.149 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cnccc2C)cn1 ZINC001032737760 707762232 /nfs/dbraw/zinc/76/22/32/707762232.db2.gz FNHUUTZMBHYXIK-OALUTQOASA-N 1 2 332.407 1.865 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cnccc2C)cn1 ZINC001032737760 707762235 /nfs/dbraw/zinc/76/22/35/707762235.db2.gz FNHUUTZMBHYXIK-OALUTQOASA-N 1 2 332.407 1.865 20 30 EDEDLO N#Cc1c(F)cccc1NC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001060913429 707802532 /nfs/dbraw/zinc/80/25/32/707802532.db2.gz IOUIDXLLXXVNAI-GFCCVEGCSA-N 1 2 327.363 1.924 20 30 EDEDLO CN(C(=O)c1n[nH]cc1F)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033400100 707806611 /nfs/dbraw/zinc/80/66/11/707806611.db2.gz NFDVIGVYABSFBK-CYBMUJFWSA-N 1 2 345.353 1.906 20 30 EDEDLO CN(C(=O)c1n[nH]cc1F)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033400100 707806614 /nfs/dbraw/zinc/80/66/14/707806614.db2.gz NFDVIGVYABSFBK-CYBMUJFWSA-N 1 2 345.353 1.906 20 30 EDEDLO Cc1nsc(NC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1C#N ZINC001060997502 708130540 /nfs/dbraw/zinc/13/05/40/708130540.db2.gz CJWVKCMPXMJSBM-LLVKDONJSA-N 1 2 330.417 1.549 20 30 EDEDLO N#Cc1cncc(N2CC[C@@H](CNC(=O)c3cccc4[nH+]ccn43)C2)n1 ZINC001061681401 708447420 /nfs/dbraw/zinc/44/74/20/708447420.db2.gz XYQLIQIDXVLSKA-ZDUSSCGKSA-N 1 2 347.382 1.252 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CCC(CNC(=O)c3nnc[nH]3)CC2)c1 ZINC001001953201 708454865 /nfs/dbraw/zinc/45/48/65/708454865.db2.gz WRNIYGFYBBWVCR-UHFFFAOYSA-N 1 2 342.378 1.457 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001033796932 708727686 /nfs/dbraw/zinc/72/76/86/708727686.db2.gz WENSNUYLYKANSX-AWEZNQCLSA-N 1 2 341.419 1.234 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001033796932 708727687 /nfs/dbraw/zinc/72/76/87/708727687.db2.gz WENSNUYLYKANSX-AWEZNQCLSA-N 1 2 341.419 1.234 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2=COCCO2)CC1 ZINC001002282060 708761191 /nfs/dbraw/zinc/76/11/91/708761191.db2.gz GUBUQHBMUYMCSW-UHFFFAOYSA-N 1 2 331.210 1.364 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033801883 708794879 /nfs/dbraw/zinc/79/48/79/708794879.db2.gz MGBLEBAGHILMFM-MRXNPFEDSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033801883 708794880 /nfs/dbraw/zinc/79/48/80/708794880.db2.gz MGBLEBAGHILMFM-MRXNPFEDSA-N 1 2 327.388 1.919 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnc(N(C)C)cn2)C1 ZINC001033833584 708859760 /nfs/dbraw/zinc/85/97/60/708859760.db2.gz QCDRDKGUWBRCKY-CYBMUJFWSA-N 1 2 337.855 1.832 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc(N(C)C)cn2)C1 ZINC001033833584 708859765 /nfs/dbraw/zinc/85/97/65/708859765.db2.gz QCDRDKGUWBRCKY-CYBMUJFWSA-N 1 2 337.855 1.832 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cc(C)n[nH]2)CC1 ZINC001002409653 708932372 /nfs/dbraw/zinc/93/23/72/708932372.db2.gz FZWPEXKLUSEEJM-UHFFFAOYSA-N 1 2 327.226 1.821 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn3c(n2)COCC3)C1 ZINC001033871958 708962425 /nfs/dbraw/zinc/96/24/25/708962425.db2.gz IXXQQPDOCCPGPN-ZDUSSCGKSA-N 1 2 338.839 1.702 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn3c(n2)COCC3)C1 ZINC001033871958 708962428 /nfs/dbraw/zinc/96/24/28/708962428.db2.gz IXXQQPDOCCPGPN-ZDUSSCGKSA-N 1 2 338.839 1.702 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(N)=O)o2)C1 ZINC001033895112 709012098 /nfs/dbraw/zinc/01/20/98/709012098.db2.gz CPUMVXGEDBNIRZ-LLVKDONJSA-N 1 2 325.796 1.667 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(N)=O)o2)C1 ZINC001033895112 709012102 /nfs/dbraw/zinc/01/21/02/709012102.db2.gz CPUMVXGEDBNIRZ-LLVKDONJSA-N 1 2 325.796 1.667 20 30 EDEDLO Cc1nc(N[C@H]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)ccc1C#N ZINC001061096279 709038223 /nfs/dbraw/zinc/03/82/23/709038223.db2.gz RYTLRXMZVMXKNC-HOTGVXAUSA-N 1 2 338.415 1.998 20 30 EDEDLO N#Cc1cnc(N[C@@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001061096842 709042880 /nfs/dbraw/zinc/04/28/80/709042880.db2.gz YFHDELPHCAGLNO-CHWSQXEVSA-N 1 2 325.376 1.084 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001002551787 709099215 /nfs/dbraw/zinc/09/92/15/709099215.db2.gz RDZWABSTMZUHIY-UHFFFAOYSA-N 1 2 337.221 1.989 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001061107059 709131366 /nfs/dbraw/zinc/13/13/66/709131366.db2.gz GQCJYKWCCBTYGS-NEPJUHHUSA-N 1 2 325.376 1.153 20 30 EDEDLO CCN(C(=O)c1cnon1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033995795 709207141 /nfs/dbraw/zinc/20/71/41/709207141.db2.gz JZKPRFJPOSCYRD-AWEZNQCLSA-N 1 2 343.362 1.817 20 30 EDEDLO CCN(C(=O)c1cnon1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033995795 709207142 /nfs/dbraw/zinc/20/71/42/709207142.db2.gz JZKPRFJPOSCYRD-AWEZNQCLSA-N 1 2 343.362 1.817 20 30 EDEDLO N#Cc1cncc(N[C@H]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001061136157 709346054 /nfs/dbraw/zinc/34/60/54/709346054.db2.gz LAAUGVYNKQGLCP-RYUDHWBXSA-N 1 2 325.376 1.153 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H](NC(=O)c3ccns3)C2)C1=O ZINC001034229864 709585859 /nfs/dbraw/zinc/58/58/59/709585859.db2.gz WNCIGRSPKCKLIV-KGLIPLIRSA-N 1 2 348.472 1.514 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H](NC(=O)c3ccns3)C2)C1=O ZINC001034229864 709585862 /nfs/dbraw/zinc/58/58/62/709585862.db2.gz WNCIGRSPKCKLIV-KGLIPLIRSA-N 1 2 348.472 1.514 20 30 EDEDLO CN(c1ccc(C#N)nc1)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001061203347 709647800 /nfs/dbraw/zinc/64/78/00/709647800.db2.gz LPROZGMVNDWKDR-INIZCTEOSA-N 1 2 338.415 1.736 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cn[nH]n3)C2)c(F)c1 ZINC001034284832 709687160 /nfs/dbraw/zinc/68/71/60/709687160.db2.gz IFURMUDXDJAERG-CQSZACIVSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3cn[nH]n3)C2)c(F)c1 ZINC001034284832 709687164 /nfs/dbraw/zinc/68/71/64/709687164.db2.gz IFURMUDXDJAERG-CQSZACIVSA-N 1 2 342.378 1.600 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCC[C@H](N(C)c3cc[nH+]c(C)n3)C2)nc1 ZINC001061220243 709768391 /nfs/dbraw/zinc/76/83/91/709768391.db2.gz YNHLWILVABYFSO-INIZCTEOSA-N 1 2 335.411 1.902 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](N(C)c2cncc(C#N)n2)C1 ZINC001061223853 709782201 /nfs/dbraw/zinc/78/22/01/709782201.db2.gz PSJUFZSEKDIBSV-CQSZACIVSA-N 1 2 339.403 1.050 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C(N)=O)co2)C1 ZINC001034391390 709892366 /nfs/dbraw/zinc/89/23/66/709892366.db2.gz LHKGAPZNGRHYEK-LBPRGKRZSA-N 1 2 325.796 1.715 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(C(N)=O)co2)C1 ZINC001034391390 709892370 /nfs/dbraw/zinc/89/23/70/709892370.db2.gz LHKGAPZNGRHYEK-LBPRGKRZSA-N 1 2 325.796 1.715 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001003209001 710119374 /nfs/dbraw/zinc/11/93/74/710119374.db2.gz FDANRDXCGXRDOE-UHFFFAOYSA-N 1 2 326.400 1.735 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001034549734 710225287 /nfs/dbraw/zinc/22/52/87/710225287.db2.gz AXCOJNORRUCUIE-ZDUSSCGKSA-N 1 2 325.844 1.943 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2nn(CC)nc2C)C1 ZINC001034549734 710225291 /nfs/dbraw/zinc/22/52/91/710225291.db2.gz AXCOJNORRUCUIE-ZDUSSCGKSA-N 1 2 325.844 1.943 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CC[NH+]([C@@H](C)c3nc(C)no3)CC2)c1 ZINC001003598997 710435752 /nfs/dbraw/zinc/43/57/52/710435752.db2.gz RZBKCLRFLWCUSH-LBPRGKRZSA-N 1 2 339.399 1.710 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)C#N)c[nH+]1 ZINC001003699857 710494419 /nfs/dbraw/zinc/49/44/19/710494419.db2.gz IJQUESQXMPYUQW-NGFQHRJXSA-N 1 2 343.431 1.334 20 30 EDEDLO CN(C(=O)[C@H]1COCCO1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032920111 710768027 /nfs/dbraw/zinc/76/80/27/710768027.db2.gz MYDCGQGAOVVFSZ-NVXWUHKLSA-N 1 2 347.390 1.145 20 30 EDEDLO CN(C(=O)[C@H]1COCCO1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032920111 710768033 /nfs/dbraw/zinc/76/80/33/710768033.db2.gz MYDCGQGAOVVFSZ-NVXWUHKLSA-N 1 2 347.390 1.145 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](N(C)C(=O)C(C)C)C2)c1 ZINC001032918636 710785262 /nfs/dbraw/zinc/78/52/62/710785262.db2.gz NLQZANBXEPVDOC-QGZVFWFLSA-N 1 2 327.428 1.795 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](N(C)C(=O)C(C)C)C2)c1 ZINC001032918636 710785264 /nfs/dbraw/zinc/78/52/64/710785264.db2.gz NLQZANBXEPVDOC-QGZVFWFLSA-N 1 2 327.428 1.795 20 30 EDEDLO CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)o1 ZINC001034894670 711316889 /nfs/dbraw/zinc/31/68/89/711316889.db2.gz HEYOAKBUXIMMJW-CYBMUJFWSA-N 1 2 342.403 1.787 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC001004474566 711851081 /nfs/dbraw/zinc/85/10/81/711851081.db2.gz PWSYUXOTIQNNIH-KRWDZBQOSA-N 1 2 340.427 1.626 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC001004474566 711851083 /nfs/dbraw/zinc/85/10/83/711851083.db2.gz PWSYUXOTIQNNIH-KRWDZBQOSA-N 1 2 340.427 1.626 20 30 EDEDLO COc1cnc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)nc1 ZINC001004482690 711872890 /nfs/dbraw/zinc/87/28/90/711872890.db2.gz DODGOTDCIHVOMR-OAHLLOKOSA-N 1 2 329.404 1.325 20 30 EDEDLO COc1cnc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)nc1 ZINC001004482690 711872892 /nfs/dbraw/zinc/87/28/92/711872892.db2.gz DODGOTDCIHVOMR-OAHLLOKOSA-N 1 2 329.404 1.325 20 30 EDEDLO COc1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)ccn1 ZINC001004482733 711873455 /nfs/dbraw/zinc/87/34/55/711873455.db2.gz RIHUQSNFDOVHBJ-MRXNPFEDSA-N 1 2 328.416 1.930 20 30 EDEDLO COc1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)ccn1 ZINC001004482733 711873456 /nfs/dbraw/zinc/87/34/56/711873456.db2.gz RIHUQSNFDOVHBJ-MRXNPFEDSA-N 1 2 328.416 1.930 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nn3c(c2C)OCCC3)C1 ZINC001033134749 711916747 /nfs/dbraw/zinc/91/67/47/711916747.db2.gz ZBQVUTDRINFWPR-CYBMUJFWSA-N 1 2 338.839 1.873 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nn3c(c2C)OCCC3)C1 ZINC001033134749 711916748 /nfs/dbraw/zinc/91/67/48/711916748.db2.gz ZBQVUTDRINFWPR-CYBMUJFWSA-N 1 2 338.839 1.873 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1 ZINC001004544562 711955560 /nfs/dbraw/zinc/95/55/60/711955560.db2.gz VFUMJUCNQRDKQL-CVEARBPZSA-N 1 2 332.448 1.272 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCCC(=O)N2)CC1 ZINC001004544562 711955561 /nfs/dbraw/zinc/95/55/61/711955561.db2.gz VFUMJUCNQRDKQL-CVEARBPZSA-N 1 2 332.448 1.272 20 30 EDEDLO C[C@@H](CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)N1CCCC1=O ZINC001004596726 712037936 /nfs/dbraw/zinc/03/79/36/712037936.db2.gz OIUINTQPTWZIQP-DOTOQJQBSA-N 1 2 346.475 1.614 20 30 EDEDLO C[C@@H](CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)N1CCCC1=O ZINC001004596726 712037937 /nfs/dbraw/zinc/03/79/37/712037937.db2.gz OIUINTQPTWZIQP-DOTOQJQBSA-N 1 2 346.475 1.614 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC001004614307 712048978 /nfs/dbraw/zinc/04/89/78/712048978.db2.gz ADXROICJXPPMKH-MAUKXSAKSA-N 1 2 341.459 1.741 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC001004614307 712048979 /nfs/dbraw/zinc/04/89/79/712048979.db2.gz ADXROICJXPPMKH-MAUKXSAKSA-N 1 2 341.459 1.741 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCCN2C(N)=O)CC1 ZINC001004602707 712050731 /nfs/dbraw/zinc/05/07/31/712050731.db2.gz NQSLCEIJUVRXFT-JKSUJKDBSA-N 1 2 347.463 1.146 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCCN2C(N)=O)CC1 ZINC001004602707 712050735 /nfs/dbraw/zinc/05/07/35/712050735.db2.gz NQSLCEIJUVRXFT-JKSUJKDBSA-N 1 2 347.463 1.146 20 30 EDEDLO CN(CCC#N)S(=O)(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000123317128 529869105 /nfs/dbraw/zinc/86/91/05/529869105.db2.gz XEPGUUDZBLZBLM-UHFFFAOYSA-N 1 2 340.424 1.034 20 30 EDEDLO COc1ccc2[nH]c(=NC(=O)NC[C@H]3C[N@H+](C)CCO3)sc2c1 ZINC000329126777 539413304 /nfs/dbraw/zinc/41/33/04/539413304.db2.gz UMSLVSRFPGQIFK-NSHDSACASA-N 1 2 336.417 1.961 20 30 EDEDLO COc1ccc2[nH]c(=NC(=O)NC[C@H]3C[N@@H+](C)CCO3)sc2c1 ZINC000329126777 539413309 /nfs/dbraw/zinc/41/33/09/539413309.db2.gz UMSLVSRFPGQIFK-NSHDSACASA-N 1 2 336.417 1.961 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCO[C@@H](Cn2cccn2)C1 ZINC000329481368 539439527 /nfs/dbraw/zinc/43/95/27/539439527.db2.gz RESKSNUBCJPPTE-OAHLLOKOSA-N 1 2 344.419 1.231 20 30 EDEDLO CC(C)N1C[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1=O ZINC000329699127 539458147 /nfs/dbraw/zinc/45/81/47/539458147.db2.gz ZAINSTCFDODFIC-KRWDZBQOSA-N 1 2 345.443 1.833 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000103139713 219260598 /nfs/dbraw/zinc/26/05/98/219260598.db2.gz INSHDWPSQNBINU-CQSZACIVSA-N 1 2 332.423 1.730 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c(C#N)c1C ZINC000295402010 539650258 /nfs/dbraw/zinc/65/02/58/539650258.db2.gz MBYOZOFKQIXFMX-CABCVRRESA-N 1 2 332.404 1.112 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c(C#N)c1C ZINC000295402010 539650263 /nfs/dbraw/zinc/65/02/63/539650263.db2.gz MBYOZOFKQIXFMX-CABCVRRESA-N 1 2 332.404 1.112 20 30 EDEDLO C=C[C@@H](CC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccccc1 ZINC000340263882 539724067 /nfs/dbraw/zinc/72/40/67/539724067.db2.gz AFLKTBFSFAUEMF-KRWDZBQOSA-N 1 2 332.444 1.499 20 30 EDEDLO CCn1ccnc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000562998652 306315235 /nfs/dbraw/zinc/31/52/35/306315235.db2.gz PEKHOLOHJZSXPZ-ZDUSSCGKSA-N 1 2 332.429 1.899 20 30 EDEDLO CCCCCNC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000067459963 138187769 /nfs/dbraw/zinc/18/77/69/138187769.db2.gz WXYQJFFONRELFR-UHFFFAOYSA-N 1 2 329.448 1.772 20 30 EDEDLO CCCCCNC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000067459963 138187771 /nfs/dbraw/zinc/18/77/71/138187771.db2.gz WXYQJFFONRELFR-UHFFFAOYSA-N 1 2 329.448 1.772 20 30 EDEDLO Cc1cccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1C#N ZINC000090202228 138278036 /nfs/dbraw/zinc/27/80/36/138278036.db2.gz PLZSYHSMVQGGRY-CABCVRRESA-N 1 2 349.456 1.398 20 30 EDEDLO Cc1cccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1C#N ZINC000090202228 138278037 /nfs/dbraw/zinc/27/80/37/138278037.db2.gz PLZSYHSMVQGGRY-CABCVRRESA-N 1 2 349.456 1.398 20 30 EDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(N3CCCNC3=O)CC2)cc1 ZINC000135448449 138424579 /nfs/dbraw/zinc/42/45/79/138424579.db2.gz FFYDCLBPFNINRV-UHFFFAOYSA-N 1 2 341.415 1.376 20 30 EDEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000187004940 236092185 /nfs/dbraw/zinc/09/21/85/236092185.db2.gz KANNVEYQPYVXAL-NSHDSACASA-N 1 2 342.852 1.217 20 30 EDEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000187004940 236092187 /nfs/dbraw/zinc/09/21/87/236092187.db2.gz KANNVEYQPYVXAL-NSHDSACASA-N 1 2 342.852 1.217 20 30 EDEDLO C[C@H](NS(=O)(=O)CCCC#N)C1([NH+]2CCOCC2)CCCC1 ZINC000125432068 237161223 /nfs/dbraw/zinc/16/12/23/237161223.db2.gz GTITWGDQCAHYDB-AWEZNQCLSA-N 1 2 329.466 1.243 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000176998481 237365678 /nfs/dbraw/zinc/36/56/78/237365678.db2.gz DVHBSRXKFWQHNO-OAHLLOKOSA-N 1 2 345.874 1.976 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1)C1CC1 ZINC000177416389 237380479 /nfs/dbraw/zinc/38/04/79/237380479.db2.gz RDIGFVQYNUIADD-DLBZAZTESA-N 1 2 348.834 1.439 20 30 EDEDLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000183442136 138784265 /nfs/dbraw/zinc/78/42/65/138784265.db2.gz AOYRJGSVYXVPHD-UHFFFAOYSA-N 1 2 343.836 1.164 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129604345 223074153 /nfs/dbraw/zinc/07/41/53/223074153.db2.gz CSOVMUCSGAXPSP-MRXNPFEDSA-N 1 2 328.416 1.151 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129604345 223074156 /nfs/dbraw/zinc/07/41/56/223074156.db2.gz CSOVMUCSGAXPSP-MRXNPFEDSA-N 1 2 328.416 1.151 20 30 EDEDLO C[C@H]([NH2+][C@@H](C)c1nncn1C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000494790579 299347554 /nfs/dbraw/zinc/34/75/54/299347554.db2.gz AGBZBWBZLUGVPM-STQMWFEESA-N 1 2 344.394 1.940 20 30 EDEDLO C#Cc1cccc(NC(=O)N2CC[NH+](CC(=O)N(CC)CC)CC2)c1 ZINC000078801025 217125431 /nfs/dbraw/zinc/12/54/31/217125431.db2.gz UNNCRYWSJFOLLR-UHFFFAOYSA-N 1 2 342.443 1.686 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@@H+]1C[C@H](C)O ZINC000246095154 139094724 /nfs/dbraw/zinc/09/47/24/139094724.db2.gz KXZMEIZZQPRJOG-DZGCQCFKSA-N 1 2 337.445 1.024 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O ZINC000246095154 139094725 /nfs/dbraw/zinc/09/47/25/139094725.db2.gz KXZMEIZZQPRJOG-DZGCQCFKSA-N 1 2 337.445 1.024 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1C[C@H](C)O ZINC000246205200 139099123 /nfs/dbraw/zinc/09/91/23/139099123.db2.gz QYKXQPKEKOAOMI-DZGCQCFKSA-N 1 2 337.445 1.024 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1C[C@H](C)O ZINC000246205200 139099124 /nfs/dbraw/zinc/09/91/24/139099124.db2.gz QYKXQPKEKOAOMI-DZGCQCFKSA-N 1 2 337.445 1.024 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352237819 250075368 /nfs/dbraw/zinc/07/53/68/250075368.db2.gz LKWWZGCAGDOADG-OAGGEKHMSA-N 1 2 339.480 1.415 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352237819 250075372 /nfs/dbraw/zinc/07/53/72/250075372.db2.gz LKWWZGCAGDOADG-OAGGEKHMSA-N 1 2 339.480 1.415 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CC#N)c2)C1 ZINC000354896646 250101825 /nfs/dbraw/zinc/10/18/25/250101825.db2.gz JEYBXTPROPGKSJ-OAHLLOKOSA-N 1 2 329.400 1.367 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(CC#N)c2)C1 ZINC000354896646 250101828 /nfs/dbraw/zinc/10/18/28/250101828.db2.gz JEYBXTPROPGKSJ-OAHLLOKOSA-N 1 2 329.400 1.367 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355044024 250104342 /nfs/dbraw/zinc/10/43/42/250104342.db2.gz HFCWECITPHJOKU-CQSZACIVSA-N 1 2 347.463 1.183 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355044024 250104346 /nfs/dbraw/zinc/10/43/46/250104346.db2.gz HFCWECITPHJOKU-CQSZACIVSA-N 1 2 347.463 1.183 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1)OCC ZINC000371054801 250211502 /nfs/dbraw/zinc/21/15/02/250211502.db2.gz MPZZXNALTPWSBX-ROUUACIJSA-N 1 2 337.508 1.844 20 30 EDEDLO C=CCOCCCC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000369725750 250204399 /nfs/dbraw/zinc/20/43/99/250204399.db2.gz OHYSBAXYHGSEMB-UHFFFAOYSA-N 1 2 349.475 1.710 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1OC ZINC000377690523 250291262 /nfs/dbraw/zinc/29/12/62/250291262.db2.gz CTSDRZXPOCJPQM-WMLDXEAASA-N 1 2 337.441 1.879 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1OC ZINC000377690523 250291268 /nfs/dbraw/zinc/29/12/68/250291268.db2.gz CTSDRZXPOCJPQM-WMLDXEAASA-N 1 2 337.441 1.879 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1ncc(C#N)cc1F ZINC000413251542 250691826 /nfs/dbraw/zinc/69/18/26/250691826.db2.gz URFLFQRAIZEOTO-GJZGRUSLSA-N 1 2 346.385 1.875 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1ncc(C#N)cc1F ZINC000413251542 250691828 /nfs/dbraw/zinc/69/18/28/250691828.db2.gz URFLFQRAIZEOTO-GJZGRUSLSA-N 1 2 346.385 1.875 20 30 EDEDLO C=CCC1(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCOCC1 ZINC000424560552 252257233 /nfs/dbraw/zinc/25/72/33/252257233.db2.gz BNQSONROWOCCAF-UHFFFAOYSA-N 1 2 345.443 1.907 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000345830850 285041198 /nfs/dbraw/zinc/04/11/98/285041198.db2.gz LUWYCJFVCXQKCJ-MLGOLLRUSA-N 1 2 349.435 1.444 20 30 EDEDLO COc1ccnc(N2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)n1 ZINC000135046806 533066391 /nfs/dbraw/zinc/06/63/91/533066391.db2.gz LUXBDYRPNNAJBK-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)Cc3[nH]cc[nH+]3)C2)n1 ZINC000471970173 255018331 /nfs/dbraw/zinc/01/83/31/255018331.db2.gz MWNXFNKNYDLRTC-HNNXBMFYSA-N 1 2 338.415 1.860 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)C1CC1 ZINC000491450663 255125865 /nfs/dbraw/zinc/12/58/65/255125865.db2.gz BGZRZETUGIWCAV-UHFFFAOYSA-N 1 2 339.439 1.636 20 30 EDEDLO C#CC[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)C1CC1 ZINC000491450663 255125866 /nfs/dbraw/zinc/12/58/66/255125866.db2.gz BGZRZETUGIWCAV-UHFFFAOYSA-N 1 2 339.439 1.636 20 30 EDEDLO C#CC[N@@H+](CCc1ccccc1C(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000491039022 255115496 /nfs/dbraw/zinc/11/54/96/255115496.db2.gz MGSRLLDQZBQCNW-HNNXBMFYSA-N 1 2 335.425 1.138 20 30 EDEDLO C#CC[N@H+](CCc1ccccc1C(=O)OC)[C@H]1CCS(=O)(=O)C1 ZINC000491039022 255115498 /nfs/dbraw/zinc/11/54/98/255115498.db2.gz MGSRLLDQZBQCNW-HNNXBMFYSA-N 1 2 335.425 1.138 20 30 EDEDLO C#C[C@@H](NC(=O)NCC[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000491668860 255138000 /nfs/dbraw/zinc/13/80/00/255138000.db2.gz TZJBRUBXRKYGDP-OAHLLOKOSA-N 1 2 339.798 1.785 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1CCOC ZINC000117371899 221059312 /nfs/dbraw/zinc/05/93/12/221059312.db2.gz MWESSTYICZBJIK-HNNXBMFYSA-N 1 2 337.445 1.290 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1CCOC ZINC000117371899 221059314 /nfs/dbraw/zinc/05/93/14/221059314.db2.gz MWESSTYICZBJIK-HNNXBMFYSA-N 1 2 337.445 1.290 20 30 EDEDLO CNS(=O)(=O)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000264656520 139422906 /nfs/dbraw/zinc/42/29/06/139422906.db2.gz UIZVVQMFKHQSEJ-UHFFFAOYSA-N 1 2 332.429 1.325 20 30 EDEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000331795393 141081827 /nfs/dbraw/zinc/08/18/27/141081827.db2.gz PEQVMTOJPSBRKM-CQSZACIVSA-N 1 2 330.413 1.919 20 30 EDEDLO N#Cc1ccc(N2CCn3cc[nH+]c3C2)nc1N1CCn2ccnc2C1 ZINC000333282132 141292306 /nfs/dbraw/zinc/29/23/06/141292306.db2.gz PPZYDQVBGYJADT-UHFFFAOYSA-N 1 2 346.398 1.387 20 30 EDEDLO N#Cc1ccc(N2CCn3ccnc3C2)nc1N1CCn2cc[nH+]c2C1 ZINC000333282132 141292307 /nfs/dbraw/zinc/29/23/07/141292307.db2.gz PPZYDQVBGYJADT-UHFFFAOYSA-N 1 2 346.398 1.387 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000345431898 143090464 /nfs/dbraw/zinc/09/04/64/143090464.db2.gz PFGMYPDUIFILGD-BZUAXINKSA-N 1 2 345.443 1.893 20 30 EDEDLO CC[C@@H](C(=O)OC)[NH+]1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000352726898 149131402 /nfs/dbraw/zinc/13/14/02/149131402.db2.gz VTLHEPHOJQKIKT-KRWDZBQOSA-N 1 2 340.427 1.880 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000360734498 152175790 /nfs/dbraw/zinc/17/57/90/152175790.db2.gz ODMUILIJWFOXRK-UHFFFAOYSA-N 1 2 349.456 1.482 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000363925516 153098396 /nfs/dbraw/zinc/09/83/96/153098396.db2.gz PZRRSVDRJYCXOT-VCBZYWHSSA-N 1 2 343.427 1.443 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000363925516 153098401 /nfs/dbraw/zinc/09/84/01/153098401.db2.gz PZRRSVDRJYCXOT-VCBZYWHSSA-N 1 2 343.427 1.443 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364782215 153331399 /nfs/dbraw/zinc/33/13/99/153331399.db2.gz ZFHKSHVWOWXWIA-SJKOYZFVSA-N 1 2 328.372 1.460 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364782215 153331402 /nfs/dbraw/zinc/33/14/02/153331402.db2.gz ZFHKSHVWOWXWIA-SJKOYZFVSA-N 1 2 328.372 1.460 20 30 EDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000367801639 154277157 /nfs/dbraw/zinc/27/71/57/154277157.db2.gz BNWFIHMYDQJKFH-LBPRGKRZSA-N 1 2 334.401 1.528 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000371974047 156190910 /nfs/dbraw/zinc/19/09/10/156190910.db2.gz RUUBTIKDTCJOFN-DLBZAZTESA-N 1 2 329.400 1.054 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000371974047 156190915 /nfs/dbraw/zinc/19/09/15/156190915.db2.gz RUUBTIKDTCJOFN-DLBZAZTESA-N 1 2 329.400 1.054 20 30 EDEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)CCC2 ZINC000372131894 156235802 /nfs/dbraw/zinc/23/58/02/156235802.db2.gz LOTDFDSTDOFPSH-GFCCVEGCSA-N 1 2 331.401 1.314 20 30 EDEDLO Cc1cccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1C#N ZINC000122321593 222060837 /nfs/dbraw/zinc/06/08/37/222060837.db2.gz JOABCHZLAXIKJX-HNNXBMFYSA-N 1 2 349.456 1.210 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1C[C@@H](C)O ZINC000122691831 222139670 /nfs/dbraw/zinc/13/96/70/222139670.db2.gz QYKXQPKEKOAOMI-UKRRQHHQSA-N 1 2 337.445 1.024 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1C[C@@H](C)O ZINC000122691831 222139671 /nfs/dbraw/zinc/13/96/71/222139671.db2.gz QYKXQPKEKOAOMI-UKRRQHHQSA-N 1 2 337.445 1.024 20 30 EDEDLO COC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCCO1 ZINC000434799783 269752268 /nfs/dbraw/zinc/75/22/68/269752268.db2.gz WGPWYLVXBBWGFA-LSDHHAIUSA-N 1 2 328.372 1.892 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000425388998 270012410 /nfs/dbraw/zinc/01/24/10/270012410.db2.gz SXLZXGNOUDRSIV-CYBMUJFWSA-N 1 2 339.399 1.470 20 30 EDEDLO CCc1nc(C)c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)o1 ZINC000428225169 270012763 /nfs/dbraw/zinc/01/27/63/270012763.db2.gz RRAAYFJUJFYIIG-GFCCVEGCSA-N 1 2 326.404 1.918 20 30 EDEDLO CCc1nc(C)c(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)o1 ZINC000428225169 270012764 /nfs/dbraw/zinc/01/27/64/270012764.db2.gz RRAAYFJUJFYIIG-GFCCVEGCSA-N 1 2 326.404 1.918 20 30 EDEDLO N#Cc1nn(CC(=O)N2CC[NH+](Cc3ccco3)CC2)c2ccccc12 ZINC000432491829 270013048 /nfs/dbraw/zinc/01/30/48/270013048.db2.gz SMCDFQOGWHXVJX-UHFFFAOYSA-N 1 2 349.394 1.845 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccc(C#N)c(F)c3)C2)CC1 ZINC000290263354 270010580 /nfs/dbraw/zinc/01/05/80/270010580.db2.gz VJWYWFAFZJTSDY-MRXNPFEDSA-N 1 2 345.422 1.941 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](n3ccnn3)C2)C1=O ZINC000516053641 270015232 /nfs/dbraw/zinc/01/52/32/270015232.db2.gz HJSCKEZYAMUWEU-ZIAGYGMSSA-N 1 2 342.428 1.654 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](n3ccnn3)C2)C1=O ZINC000516053641 270015233 /nfs/dbraw/zinc/01/52/33/270015233.db2.gz HJSCKEZYAMUWEU-ZIAGYGMSSA-N 1 2 342.428 1.654 20 30 EDEDLO C[N@H+](CCN1CCCC1=O)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000533295755 270015785 /nfs/dbraw/zinc/01/57/85/270015785.db2.gz NGFGDZPHSFCTFG-UHFFFAOYSA-N 1 2 334.807 1.704 20 30 EDEDLO C[N@@H+](CCN1CCCC1=O)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000533295755 270015786 /nfs/dbraw/zinc/01/57/86/270015786.db2.gz NGFGDZPHSFCTFG-UHFFFAOYSA-N 1 2 334.807 1.704 20 30 EDEDLO CCCS(=O)(=O)NC1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301679661 266062659 /nfs/dbraw/zinc/06/26/59/266062659.db2.gz RMJOYSSIXZSNFO-UHFFFAOYSA-N 1 2 336.461 1.868 20 30 EDEDLO CCC[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@@H+]1CCOC ZINC000188746480 266080457 /nfs/dbraw/zinc/08/04/57/266080457.db2.gz DJKKGRWHAPCQIW-INIZCTEOSA-N 1 2 331.416 1.837 20 30 EDEDLO CCC[C@H]1CN(C(=O)c2ccc(C#N)c(O)c2)CC[N@H+]1CCOC ZINC000188746480 266080461 /nfs/dbraw/zinc/08/04/61/266080461.db2.gz DJKKGRWHAPCQIW-INIZCTEOSA-N 1 2 331.416 1.837 20 30 EDEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)oc2C)CC1 ZINC000280602519 266110716 /nfs/dbraw/zinc/11/07/16/266110716.db2.gz JKIHPCMGDKONFL-UHFFFAOYSA-N 1 2 346.431 1.476 20 30 EDEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)oc2C)CC1 ZINC000280602519 266110722 /nfs/dbraw/zinc/11/07/22/266110722.db2.gz JKIHPCMGDKONFL-UHFFFAOYSA-N 1 2 346.431 1.476 20 30 EDEDLO CCOc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000294447801 266308821 /nfs/dbraw/zinc/30/88/21/266308821.db2.gz SNMMVKYJWOECED-UHFFFAOYSA-N 1 2 340.383 1.903 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450228636 267055780 /nfs/dbraw/zinc/05/57/80/267055780.db2.gz MFXBBYPTLYSLSH-UHFFFAOYSA-N 1 2 345.403 1.457 20 30 EDEDLO CCO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C ZINC000451537912 267147562 /nfs/dbraw/zinc/14/75/62/267147562.db2.gz IWVJRPGQAIOWIP-UKRRQHHQSA-N 1 2 337.445 1.474 20 30 EDEDLO CCO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C ZINC000451537912 267147566 /nfs/dbraw/zinc/14/75/66/267147566.db2.gz IWVJRPGQAIOWIP-UKRRQHHQSA-N 1 2 337.445 1.474 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425211780 267186868 /nfs/dbraw/zinc/18/68/68/267186868.db2.gz UYXVDSNGNVEHAD-CQSZACIVSA-N 1 2 341.459 1.479 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2cc(C#N)ccc2C)CCO1 ZINC000427852449 267231454 /nfs/dbraw/zinc/23/14/54/267231454.db2.gz MJBUDACROOHUKF-HNNXBMFYSA-N 1 2 344.415 1.032 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cc(C#N)ccc2C)CCO1 ZINC000427852449 267231458 /nfs/dbraw/zinc/23/14/58/267231458.db2.gz MJBUDACROOHUKF-HNNXBMFYSA-N 1 2 344.415 1.032 20 30 EDEDLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000451045203 267280619 /nfs/dbraw/zinc/28/06/19/267280619.db2.gz LRHAYHWDGZVPAF-UHFFFAOYSA-N 1 2 337.380 1.256 20 30 EDEDLO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)c(C)c2)[C@@H]1C(=O)OC ZINC000488153856 267384209 /nfs/dbraw/zinc/38/42/09/267384209.db2.gz STRQQDJEGSAEAB-HOTGVXAUSA-N 1 2 330.384 1.793 20 30 EDEDLO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(C)c2)[C@@H]1C(=O)OC ZINC000488153856 267384211 /nfs/dbraw/zinc/38/42/11/267384211.db2.gz STRQQDJEGSAEAB-HOTGVXAUSA-N 1 2 330.384 1.793 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000425378331 267722881 /nfs/dbraw/zinc/72/28/81/267722881.db2.gz APZOBPYNTVUCCJ-ZDUSSCGKSA-N 1 2 337.383 1.317 20 30 EDEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC(=O)N1 ZINC000451641593 267752207 /nfs/dbraw/zinc/75/22/07/267752207.db2.gz NXNQTCMOMJJTEF-SNVBAGLBSA-N 1 2 332.429 1.257 20 30 EDEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC(=O)N1 ZINC000451641593 267752209 /nfs/dbraw/zinc/75/22/09/267752209.db2.gz NXNQTCMOMJJTEF-SNVBAGLBSA-N 1 2 332.429 1.257 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000448646540 268113091 /nfs/dbraw/zinc/11/30/91/268113091.db2.gz CIFGAZDDWSADFT-SFHVURJKSA-N 1 2 338.411 1.700 20 30 EDEDLO N#Cc1ccnc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000282871423 268290043 /nfs/dbraw/zinc/29/00/43/268290043.db2.gz DPLCPABKHCGGIQ-GOSISDBHSA-N 1 2 336.395 1.757 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@](O)(c3cn[nH]n3)C2)c(Br)c1 ZINC000284941744 274396032 /nfs/dbraw/zinc/39/60/32/274396032.db2.gz WNZDATUOMXLYOF-CQSZACIVSA-N 1 2 348.204 1.532 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@](O)(c3cn[nH]n3)C2)c(Br)c1 ZINC000284941744 274396034 /nfs/dbraw/zinc/39/60/34/274396034.db2.gz WNZDATUOMXLYOF-CQSZACIVSA-N 1 2 348.204 1.532 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@](O)(c3c[nH]nn3)C2)c(Br)c1 ZINC000284941744 274396036 /nfs/dbraw/zinc/39/60/36/274396036.db2.gz WNZDATUOMXLYOF-CQSZACIVSA-N 1 2 348.204 1.532 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@](O)(c3c[nH]nn3)C2)c(Br)c1 ZINC000284941744 274396038 /nfs/dbraw/zinc/39/60/38/274396038.db2.gz WNZDATUOMXLYOF-CQSZACIVSA-N 1 2 348.204 1.532 20 30 EDEDLO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000330703531 277335029 /nfs/dbraw/zinc/33/50/29/277335029.db2.gz ISRUWLPSOCPYLX-INIZCTEOSA-N 1 2 347.463 1.853 20 30 EDEDLO CC(C)C(=O)Nc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000330703531 277335031 /nfs/dbraw/zinc/33/50/31/277335031.db2.gz ISRUWLPSOCPYLX-INIZCTEOSA-N 1 2 347.463 1.853 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)[C@H]1C(=O)OC ZINC000342760232 277347744 /nfs/dbraw/zinc/34/77/44/277347744.db2.gz YZKKHMBYEHRHIE-HZPDHXFCSA-N 1 2 330.384 1.679 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)[C@H]1C(=O)OC ZINC000342760232 277347746 /nfs/dbraw/zinc/34/77/46/277347746.db2.gz YZKKHMBYEHRHIE-HZPDHXFCSA-N 1 2 330.384 1.679 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000330206827 277805782 /nfs/dbraw/zinc/80/57/82/277805782.db2.gz FNRSHHBVIPBOAG-FVQBIDKESA-N 1 2 335.448 1.619 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C(C)(C)C1 ZINC000271065898 290051681 /nfs/dbraw/zinc/05/16/81/290051681.db2.gz UICOGLUDKYIWNE-UHFFFAOYSA-N 1 2 329.372 1.551 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C(C)(C)C1 ZINC000271065898 290051684 /nfs/dbraw/zinc/05/16/84/290051684.db2.gz UICOGLUDKYIWNE-UHFFFAOYSA-N 1 2 329.372 1.551 20 30 EDEDLO C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCNC1=O ZINC000372850903 447314654 /nfs/dbraw/zinc/31/46/54/447314654.db2.gz UAROVAGQBUHSQM-LJQANCHMSA-N 1 2 340.427 1.119 20 30 EDEDLO C=CCOc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000456214278 447332765 /nfs/dbraw/zinc/33/27/65/447332765.db2.gz JQGUBMLBMFPXOY-IYBDPMFKSA-N 1 2 346.427 1.853 20 30 EDEDLO C=CCOc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000456214278 447332769 /nfs/dbraw/zinc/33/27/69/447332769.db2.gz JQGUBMLBMFPXOY-IYBDPMFKSA-N 1 2 346.427 1.853 20 30 EDEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cccnc2C#N)C1 ZINC000551986007 306172944 /nfs/dbraw/zinc/17/29/44/306172944.db2.gz LKSLJRSNUQBPPI-UHFFFAOYSA-N 1 2 342.424 1.458 20 30 EDEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2cccnc2C#N)C1 ZINC000551986007 306172945 /nfs/dbraw/zinc/17/29/45/306172945.db2.gz LKSLJRSNUQBPPI-UHFFFAOYSA-N 1 2 342.424 1.458 20 30 EDEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000378190050 447406065 /nfs/dbraw/zinc/40/60/65/447406065.db2.gz NALVMHGXGJAMLA-UHFFFAOYSA-N 1 2 329.404 1.152 20 30 EDEDLO CNC(=O)C[N@H+]1CCCN(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000378190050 447406077 /nfs/dbraw/zinc/40/60/77/447406077.db2.gz NALVMHGXGJAMLA-UHFFFAOYSA-N 1 2 329.404 1.152 20 30 EDEDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C(N)=O)C1 ZINC000426271225 447411516 /nfs/dbraw/zinc/41/15/16/447411516.db2.gz MKRIHYHCXNAMFG-RISCZKNCSA-N 1 2 325.372 1.694 20 30 EDEDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C(N)=O)C1 ZINC000426271225 447411520 /nfs/dbraw/zinc/41/15/20/447411520.db2.gz MKRIHYHCXNAMFG-RISCZKNCSA-N 1 2 325.372 1.694 20 30 EDEDLO C=CCOc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000449959537 447419537 /nfs/dbraw/zinc/41/95/37/447419537.db2.gz MBQAAACCURMFRJ-QGZVFWFLSA-N 1 2 330.428 1.727 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)CC1 ZINC000057170560 441094961 /nfs/dbraw/zinc/09/49/61/441094961.db2.gz GMJRNUKXERADKQ-UHFFFAOYSA-N 1 2 339.399 1.764 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+](CC(N)=O)C2CCCC2)cc1Cl ZINC000047274315 441172038 /nfs/dbraw/zinc/17/20/38/441172038.db2.gz CSLJOPWLHTVTPQ-UHFFFAOYSA-N 1 2 334.807 1.880 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+](CC(N)=O)C2CCCC2)cc1Cl ZINC000047274315 441172041 /nfs/dbraw/zinc/17/20/41/441172041.db2.gz CSLJOPWLHTVTPQ-UHFFFAOYSA-N 1 2 334.807 1.880 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000103139465 441176872 /nfs/dbraw/zinc/17/68/72/441176872.db2.gz XYVBPCUSKKLDCH-ZDUSSCGKSA-N 1 2 330.407 1.482 20 30 EDEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000059930974 441231802 /nfs/dbraw/zinc/23/18/02/441231802.db2.gz KVQBRATWIZHIQL-UHFFFAOYSA-N 1 2 325.368 1.988 20 30 EDEDLO COc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1O ZINC000080964299 441214079 /nfs/dbraw/zinc/21/40/79/441214079.db2.gz IKWWCUZYUKJYQZ-QGZVFWFLSA-N 1 2 325.368 1.931 20 30 EDEDLO COc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1O ZINC000080964299 441214085 /nfs/dbraw/zinc/21/40/85/441214085.db2.gz IKWWCUZYUKJYQZ-QGZVFWFLSA-N 1 2 325.368 1.931 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744171 441223834 /nfs/dbraw/zinc/22/38/34/441223834.db2.gz FNEJAFGOYBQKEA-CQSZACIVSA-N 1 2 345.403 1.477 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1)C1CCCCC1 ZINC000060481330 441246655 /nfs/dbraw/zinc/24/66/55/441246655.db2.gz ANQQGGZGKCBFTL-UHFFFAOYSA-N 1 2 341.459 1.866 20 30 EDEDLO CCn1cc(N2C(=O)C[C@H]([N@H+](C)Cc3cccc(C#N)c3)C2=O)cn1 ZINC000105409334 441255180 /nfs/dbraw/zinc/25/51/80/441255180.db2.gz DWKLSOMEIOEFET-INIZCTEOSA-N 1 2 337.383 1.539 20 30 EDEDLO CCn1cc(N2C(=O)C[C@H]([N@@H+](C)Cc3cccc(C#N)c3)C2=O)cn1 ZINC000105409334 441255185 /nfs/dbraw/zinc/25/51/85/441255185.db2.gz DWKLSOMEIOEFET-INIZCTEOSA-N 1 2 337.383 1.539 20 30 EDEDLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nc(N)c(C#N)cc2C#N)CC1 ZINC000073998388 441379691 /nfs/dbraw/zinc/37/96/91/441379691.db2.gz ZTABBRVMPKFJGS-NSHDSACASA-N 1 2 344.444 1.052 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000084116383 441383243 /nfs/dbraw/zinc/38/32/43/441383243.db2.gz LBWXGEGAIBKHNH-HNNXBMFYSA-N 1 2 341.415 1.722 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000084116383 441383245 /nfs/dbraw/zinc/38/32/45/441383245.db2.gz LBWXGEGAIBKHNH-HNNXBMFYSA-N 1 2 341.415 1.722 20 30 EDEDLO C[C@H](C#N)CN(C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000064796581 441392683 /nfs/dbraw/zinc/39/26/83/441392683.db2.gz OFBKJPBZIFILIB-OAHLLOKOSA-N 1 2 330.432 1.549 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3nnc[nH]3)CC2)cc1 ZINC000083424131 441360994 /nfs/dbraw/zinc/36/09/94/441360994.db2.gz WNOTVIIRQVACLR-UHFFFAOYSA-N 1 2 345.428 1.330 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nnn(-c3ccc(C)cc3C)c2=S)CC1 ZINC000074171281 441402711 /nfs/dbraw/zinc/40/27/11/441402711.db2.gz XYGOGTQOQIRVOP-UHFFFAOYSA-N 1 2 342.472 1.623 20 30 EDEDLO C[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876139 441475463 /nfs/dbraw/zinc/47/54/63/441475463.db2.gz ZZFBGFDMZVBGSC-CJNGLKHVSA-N 1 2 325.372 1.867 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[NH2+]C3(C(N)=O)CCCCC3)o2)cc1 ZINC000088545240 441511871 /nfs/dbraw/zinc/51/18/71/441511871.db2.gz SHBALVSIKJGYKE-UHFFFAOYSA-N 1 2 325.372 1.886 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000067229654 441619566 /nfs/dbraw/zinc/61/95/66/441619566.db2.gz WIJSBAGELFKAEK-SFHVURJKSA-N 1 2 336.480 1.621 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000067229654 441619570 /nfs/dbraw/zinc/61/95/70/441619570.db2.gz WIJSBAGELFKAEK-SFHVURJKSA-N 1 2 336.480 1.621 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000076495505 441651482 /nfs/dbraw/zinc/65/14/82/441651482.db2.gz BYGPGRXNBJNUFG-HZPDHXFCSA-N 1 2 340.489 1.146 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000076877409 441691131 /nfs/dbraw/zinc/69/11/31/441691131.db2.gz LEJDXUKBLJSZRL-AWEZNQCLSA-N 1 2 349.504 1.577 20 30 EDEDLO CC(C)N1CC[C@H]([NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1=O ZINC000121497780 441718693 /nfs/dbraw/zinc/71/86/93/441718693.db2.gz ZCCFDIMZQAAIBS-ROUUACIJSA-N 1 2 326.444 1.878 20 30 EDEDLO CN(CC[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000091768444 441737660 /nfs/dbraw/zinc/73/76/60/441737660.db2.gz KCDKDRLSLGLKSU-OAHLLOKOSA-N 1 2 346.431 1.883 20 30 EDEDLO CN(CC[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000091768444 441737666 /nfs/dbraw/zinc/73/76/66/441737666.db2.gz KCDKDRLSLGLKSU-OAHLLOKOSA-N 1 2 346.431 1.883 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000173540406 441785338 /nfs/dbraw/zinc/78/53/38/441785338.db2.gz ULFOUOPAXPFNKE-INIZCTEOSA-N 1 2 349.456 1.210 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000043051151 441809602 /nfs/dbraw/zinc/80/96/02/441809602.db2.gz ULHJRIXDKOINOO-UHFFFAOYSA-N 1 2 340.383 1.723 20 30 EDEDLO C=CC[C@@H](C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000117041525 441862951 /nfs/dbraw/zinc/86/29/51/441862951.db2.gz HPPOLWHGBDKMPH-OAHLLOKOSA-N 1 2 345.447 1.384 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CSc2ccccc21 ZINC000118324478 441893551 /nfs/dbraw/zinc/89/35/51/441893551.db2.gz ALUMYGUYFBKATM-INIZCTEOSA-N 1 2 345.468 1.950 20 30 EDEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000118391193 441894503 /nfs/dbraw/zinc/89/45/03/441894503.db2.gz JVZAAMKWHFQBCJ-INIZCTEOSA-N 1 2 326.444 1.859 20 30 EDEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nnc[nH]1 ZINC000174813745 441970914 /nfs/dbraw/zinc/97/09/14/441970914.db2.gz RFRGVXUKZRBHHP-UHFFFAOYSA-N 1 2 330.417 1.687 20 30 EDEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nnc[nH]1 ZINC000174813745 441970918 /nfs/dbraw/zinc/97/09/18/441970918.db2.gz RFRGVXUKZRBHHP-UHFFFAOYSA-N 1 2 330.417 1.687 20 30 EDEDLO COc1ccccc1N1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000078797700 441973053 /nfs/dbraw/zinc/97/30/53/441973053.db2.gz YYCOBVAPICCZLO-LJQANCHMSA-N 1 2 342.443 1.626 20 30 EDEDLO C[N@H+](CCc1ccncc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000163158097 442147340 /nfs/dbraw/zinc/14/73/40/442147340.db2.gz WDQRXNFEZPUWGK-UHFFFAOYSA-N 1 2 329.425 1.901 20 30 EDEDLO C[N@@H+](CCc1ccncc1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000163158097 442147345 /nfs/dbraw/zinc/14/73/45/442147345.db2.gz WDQRXNFEZPUWGK-UHFFFAOYSA-N 1 2 329.425 1.901 20 30 EDEDLO COc1ccc(OCCN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000096971661 442152668 /nfs/dbraw/zinc/15/26/68/442152668.db2.gz TVYOCIPJLQOUHZ-UHFFFAOYSA-N 1 2 333.432 1.622 20 30 EDEDLO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000171061910 442305728 /nfs/dbraw/zinc/30/57/28/442305728.db2.gz BMJNUUARNLZJFR-AAEUAGOBSA-N 1 2 333.388 1.980 20 30 EDEDLO COC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000171061910 442305729 /nfs/dbraw/zinc/30/57/29/442305729.db2.gz BMJNUUARNLZJFR-AAEUAGOBSA-N 1 2 333.388 1.980 20 30 EDEDLO CC[C@H](C(N)=O)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000171076927 442307213 /nfs/dbraw/zinc/30/72/13/442307213.db2.gz NDRFVRCHJHQKBY-GFCCVEGCSA-N 1 2 329.360 1.192 20 30 EDEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1ccco1 ZINC000156127442 442449431 /nfs/dbraw/zinc/44/94/31/442449431.db2.gz OIRBCTWDSFPNQE-CYBMUJFWSA-N 1 2 337.376 1.872 20 30 EDEDLO C[N@H+](CCc1nccs1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156944201 442535947 /nfs/dbraw/zinc/53/59/47/442535947.db2.gz LNQVGBWAFPZFPQ-UHFFFAOYSA-N 1 2 335.454 1.963 20 30 EDEDLO C[N@@H+](CCc1nccs1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156944201 442535951 /nfs/dbraw/zinc/53/59/51/442535951.db2.gz LNQVGBWAFPZFPQ-UHFFFAOYSA-N 1 2 335.454 1.963 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000180079609 442538097 /nfs/dbraw/zinc/53/80/97/442538097.db2.gz VWXNFQLSHMRLNB-UONOGXRCSA-N 1 2 332.404 1.820 20 30 EDEDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000157392377 442578899 /nfs/dbraw/zinc/57/88/99/442578899.db2.gz BESQQYFQIJXEHG-UHFFFAOYSA-N 1 2 336.823 1.854 20 30 EDEDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000157392377 442578902 /nfs/dbraw/zinc/57/89/02/442578902.db2.gz BESQQYFQIJXEHG-UHFFFAOYSA-N 1 2 336.823 1.854 20 30 EDEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000180352801 442585082 /nfs/dbraw/zinc/58/50/82/442585082.db2.gz VLAXOIRBAKXZJM-ZDUSSCGKSA-N 1 2 342.378 1.194 20 30 EDEDLO NC(=[NH+]OCC(=O)NCC1CCCCC1)c1ccc2c(c1)CCO2 ZINC000158180810 442652475 /nfs/dbraw/zinc/65/24/75/442652475.db2.gz LRVPRUMBBHALLR-UHFFFAOYSA-N 1 2 331.416 1.955 20 30 EDEDLO C[C@@H](O)C[C@H]1COCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192786331 442686648 /nfs/dbraw/zinc/68/66/48/442686648.db2.gz ALPYYKMTYFTRDZ-FHLIZLRMSA-N 1 2 343.427 1.525 20 30 EDEDLO C[C@@H](O)C[C@H]1COCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192786331 442686650 /nfs/dbraw/zinc/68/66/50/442686650.db2.gz ALPYYKMTYFTRDZ-FHLIZLRMSA-N 1 2 343.427 1.525 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000181419839 442696160 /nfs/dbraw/zinc/69/61/60/442696160.db2.gz NBMWGNUVNQMIJQ-INIZCTEOSA-N 1 2 336.480 1.681 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccc(C#N)c(O)c2)no1 ZINC000188362591 442743247 /nfs/dbraw/zinc/74/32/47/442743247.db2.gz AZXMGNSDQJFMQW-UHFFFAOYSA-N 1 2 329.360 1.374 20 30 EDEDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193768749 442783744 /nfs/dbraw/zinc/78/37/44/442783744.db2.gz YJIYINFDYKWGEW-AWEZNQCLSA-N 1 2 329.448 1.769 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265665138 442870411 /nfs/dbraw/zinc/87/04/11/442870411.db2.gz UVKSZTUNSIQJLU-GOEBONIOSA-N 1 2 328.416 1.484 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265665138 442870417 /nfs/dbraw/zinc/87/04/17/442870417.db2.gz UVKSZTUNSIQJLU-GOEBONIOSA-N 1 2 328.416 1.484 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)c3c[nH]c(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000181214705 318480638 /nfs/dbraw/zinc/48/06/38/318480638.db2.gz LLZZKRFUUZYRFG-STQMWFEESA-N 1 2 339.399 1.825 20 30 EDEDLO Cc1nc(N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000183771303 442963033 /nfs/dbraw/zinc/96/30/33/442963033.db2.gz FVIHXTPJKYEKHP-UHFFFAOYSA-N 1 2 336.399 1.417 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189660682 442990616 /nfs/dbraw/zinc/99/06/16/442990616.db2.gz GUQZCBKTGJTABR-UHFFFAOYSA-N 1 2 330.436 1.171 20 30 EDEDLO C[C@H](c1nccs1)N1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000184584062 443044486 /nfs/dbraw/zinc/04/44/86/443044486.db2.gz FQAWLVIDIHRIOF-KGLIPLIRSA-N 1 2 335.477 1.582 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\C2CCCCC2)CC1 ZINC000255536793 443101711 /nfs/dbraw/zinc/10/17/11/443101711.db2.gz ZSMGCPRXHFQHMW-KTKRTIGZSA-N 1 2 331.460 1.407 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\C2CCCCC2)CC1 ZINC000255536793 443101715 /nfs/dbraw/zinc/10/17/15/443101715.db2.gz ZSMGCPRXHFQHMW-KTKRTIGZSA-N 1 2 331.460 1.407 20 30 EDEDLO CCc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(O)c1 ZINC000190715349 443169443 /nfs/dbraw/zinc/16/94/43/443169443.db2.gz KIFORHGPKOFEMJ-UHFFFAOYSA-N 1 2 331.416 1.643 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000185395173 443193869 /nfs/dbraw/zinc/19/38/69/443193869.db2.gz LGGCOFKTAZABAK-CYBMUJFWSA-N 1 2 349.412 1.741 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263665001 443235001 /nfs/dbraw/zinc/23/50/01/443235001.db2.gz FJGZJMNJIGVOGQ-IBGZPJMESA-N 1 2 339.443 1.735 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000264353583 443261306 /nfs/dbraw/zinc/26/13/06/443261306.db2.gz GCKRVEXAOODFSY-STQMWFEESA-N 1 2 338.452 1.013 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000264353583 443261311 /nfs/dbraw/zinc/26/13/11/443261311.db2.gz GCKRVEXAOODFSY-STQMWFEESA-N 1 2 338.452 1.013 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000264708511 443383899 /nfs/dbraw/zinc/38/38/99/443383899.db2.gz FEZXVXZBQGMCAR-KRWDZBQOSA-N 1 2 344.459 1.469 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000264708511 443383903 /nfs/dbraw/zinc/38/39/03/443383903.db2.gz FEZXVXZBQGMCAR-KRWDZBQOSA-N 1 2 344.459 1.469 20 30 EDEDLO CC(C)(CNc1ccc([N+](=O)[O-])c(C#N)c1)[NH+]1CCS(=O)CC1 ZINC000269742379 443419471 /nfs/dbraw/zinc/41/94/71/443419471.db2.gz XKYISTNHGNGKAP-UHFFFAOYSA-N 1 2 336.417 1.721 20 30 EDEDLO N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269768837 443433382 /nfs/dbraw/zinc/43/33/82/443433382.db2.gz FHRRXENQIVYQSX-LLVKDONJSA-N 1 2 334.376 1.989 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1)OCC ZINC000270182872 443462205 /nfs/dbraw/zinc/46/22/05/443462205.db2.gz NHBZVFZVPAUFEP-GJZGRUSLSA-N 1 2 347.463 1.975 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)OCC ZINC000270182872 443462209 /nfs/dbraw/zinc/46/22/09/443462209.db2.gz NHBZVFZVPAUFEP-GJZGRUSLSA-N 1 2 347.463 1.975 20 30 EDEDLO C=CCNC(=O)CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000272036772 443523291 /nfs/dbraw/zinc/52/32/91/443523291.db2.gz CYYSNOCGJWNWET-AWEZNQCLSA-N 1 2 346.431 1.504 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273589229 443582102 /nfs/dbraw/zinc/58/21/02/443582102.db2.gz FZAXJUSKHOAQDT-AWEZNQCLSA-N 1 2 335.427 1.551 20 30 EDEDLO CC(C)(CNC(=O)/C=C/c1ccc(C#N)cc1)[NH+]1CCS(=O)CC1 ZINC000265155104 443552191 /nfs/dbraw/zinc/55/21/91/443552191.db2.gz ZYSASILIHMSJRB-BQYQJAHWSA-N 1 2 345.468 1.531 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCC#Cc2ccccc2)CCN1C ZINC000275466501 443627725 /nfs/dbraw/zinc/62/77/25/443627725.db2.gz XRLBYTMDUGFVLD-QGZVFWFLSA-N 1 2 337.427 1.470 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000279536230 443604262 /nfs/dbraw/zinc/60/42/62/443604262.db2.gz SMIOHJSAXSSBFE-UHFFFAOYSA-N 1 2 343.427 1.176 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC000279536230 443604265 /nfs/dbraw/zinc/60/42/65/443604265.db2.gz SMIOHJSAXSSBFE-UHFFFAOYSA-N 1 2 343.427 1.176 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000274533677 443607188 /nfs/dbraw/zinc/60/71/88/443607188.db2.gz YUFXTDKQESUKRS-UHFFFAOYSA-N 1 2 344.365 1.932 20 30 EDEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000276315754 443685892 /nfs/dbraw/zinc/68/58/92/443685892.db2.gz NFOSFJMZSMRGEC-CYBMUJFWSA-N 1 2 347.444 1.561 20 30 EDEDLO Cc1ccc(CN(C(=O)CO[NH+]=C(N)[C@H]2CCCO2)C2CC2)cc1 ZINC000283759719 443709039 /nfs/dbraw/zinc/70/90/39/443709039.db2.gz AVDNZKGDNCNFDV-MRXNPFEDSA-N 1 2 331.416 1.954 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC#Cc1ccccc1 ZINC000286519428 443714756 /nfs/dbraw/zinc/71/47/56/443714756.db2.gz JONKYGAWQKAIHO-AEFFLSMTSA-N 1 2 327.428 1.543 20 30 EDEDLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000290971536 443723903 /nfs/dbraw/zinc/72/39/03/443723903.db2.gz XMUWCJYWDGKXID-HNNXBMFYSA-N 1 2 347.444 1.672 20 30 EDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000298521415 443790506 /nfs/dbraw/zinc/79/05/06/443790506.db2.gz LKXGHIIPRHKGTR-INIZCTEOSA-N 1 2 327.428 1.201 20 30 EDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000298521415 443790507 /nfs/dbraw/zinc/79/05/07/443790507.db2.gz LKXGHIIPRHKGTR-INIZCTEOSA-N 1 2 327.428 1.201 20 30 EDEDLO CC[C@H](C(=O)OC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000276702064 443796900 /nfs/dbraw/zinc/79/69/00/443796900.db2.gz PEDKLHGBMYGXAD-INIZCTEOSA-N 1 2 329.400 1.402 20 30 EDEDLO Cc1ccc(S(=O)(=O)CCCO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284030837 443762122 /nfs/dbraw/zinc/76/21/22/443762122.db2.gz INTQQGNQZWTJBA-AWEZNQCLSA-N 1 2 326.418 1.627 20 30 EDEDLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3ccnc(C#N)c3)CC2)C1 ZINC000288019658 443764095 /nfs/dbraw/zinc/76/40/95/443764095.db2.gz SQCSQZQEXPUWBH-SFHVURJKSA-N 1 2 329.448 1.184 20 30 EDEDLO CS(=O)(=O)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000292067552 443775437 /nfs/dbraw/zinc/77/54/37/443775437.db2.gz BHFFYADQSRAVRI-GDBMZVCRSA-N 1 2 347.440 1.030 20 30 EDEDLO CS(=O)(=O)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000292067552 443775440 /nfs/dbraw/zinc/77/54/40/443775440.db2.gz BHFFYADQSRAVRI-GDBMZVCRSA-N 1 2 347.440 1.030 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000292116415 443777801 /nfs/dbraw/zinc/77/78/01/443777801.db2.gz JQWDMWSBJINTDI-AWEZNQCLSA-N 1 2 328.478 1.332 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000292159938 443780102 /nfs/dbraw/zinc/78/01/02/443780102.db2.gz FDTMLEFVOGCFGH-UHFFFAOYSA-N 1 2 341.459 1.479 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CCOCC3)CC2)cc1 ZINC000298890852 443894067 /nfs/dbraw/zinc/89/40/67/443894067.db2.gz QNFSRNGRWYUWRB-UHFFFAOYSA-N 1 2 328.416 1.564 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C)c(F)c2)C1=O ZINC000281273826 443866203 /nfs/dbraw/zinc/86/62/03/443866203.db2.gz IDQQCQIKMIITCP-MRXNPFEDSA-N 1 2 333.407 1.469 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C)c(F)c2)C1=O ZINC000281273826 443866206 /nfs/dbraw/zinc/86/62/06/443866206.db2.gz IDQQCQIKMIITCP-MRXNPFEDSA-N 1 2 333.407 1.469 20 30 EDEDLO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000298989119 443922219 /nfs/dbraw/zinc/92/22/19/443922219.db2.gz PWDLODYOTWUNRG-UONOGXRCSA-N 1 2 340.445 1.002 20 30 EDEDLO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000298989119 443922221 /nfs/dbraw/zinc/92/22/21/443922221.db2.gz PWDLODYOTWUNRG-UONOGXRCSA-N 1 2 340.445 1.002 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2)C1CC1 ZINC000288756966 443974099 /nfs/dbraw/zinc/97/40/99/443974099.db2.gz GXYUSAINUYMQFH-QGZVFWFLSA-N 1 2 327.384 1.668 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2)C1CC1 ZINC000288756966 443974104 /nfs/dbraw/zinc/97/41/04/443974104.db2.gz GXYUSAINUYMQFH-QGZVFWFLSA-N 1 2 327.384 1.668 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000299419539 444041771 /nfs/dbraw/zinc/04/17/71/444041771.db2.gz BMGWDSNJHWVZRU-OAHLLOKOSA-N 1 2 347.415 1.173 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000299419539 444041775 /nfs/dbraw/zinc/04/17/75/444041775.db2.gz BMGWDSNJHWVZRU-OAHLLOKOSA-N 1 2 347.415 1.173 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2Cc3c(OC)ccc(OC)c3[C@H](O)C2)C1=O ZINC000281948754 444046843 /nfs/dbraw/zinc/04/68/43/444046843.db2.gz JJOZBQDQRVMVJC-ZIAGYGMSSA-N 1 2 332.400 1.340 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2Cc3c(OC)ccc(OC)c3[C@H](O)C2)C1=O ZINC000281948754 444046845 /nfs/dbraw/zinc/04/68/45/444046845.db2.gz JJOZBQDQRVMVJC-ZIAGYGMSSA-N 1 2 332.400 1.340 20 30 EDEDLO N#CCSCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000299292668 444008008 /nfs/dbraw/zinc/00/80/08/444008008.db2.gz JVXWCXBCJFFLBT-UHFFFAOYSA-N 1 2 349.456 1.271 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000288899706 444009248 /nfs/dbraw/zinc/00/92/48/444009248.db2.gz ZTYHMBFDIJMAMR-UHFFFAOYSA-N 1 2 345.443 1.915 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)[C@@H]2COC[C@H]2O)cc1 ZINC000285536200 444020248 /nfs/dbraw/zinc/02/02/48/444020248.db2.gz LGOGUBDOERGSKP-USXIJHARSA-N 1 2 331.416 1.322 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)[C@@H]2COC[C@H]2O)cc1 ZINC000285536200 444020253 /nfs/dbraw/zinc/02/02/53/444020253.db2.gz LGOGUBDOERGSKP-USXIJHARSA-N 1 2 331.416 1.322 20 30 EDEDLO C[C@@H](O)c1ncc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)s1 ZINC000289206909 444076521 /nfs/dbraw/zinc/07/65/21/444076521.db2.gz IGJJNXUDEXYVRF-VXGBXAGGSA-N 1 2 344.444 1.569 20 30 EDEDLO C[C@@H](O)c1ncc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)s1 ZINC000289206909 444076525 /nfs/dbraw/zinc/07/65/25/444076525.db2.gz IGJJNXUDEXYVRF-VXGBXAGGSA-N 1 2 344.444 1.569 20 30 EDEDLO COc1ccc(OC)c(C[NH+]2CCN(c3ccnc(C#N)n3)CC2)c1 ZINC000562114476 321046298 /nfs/dbraw/zinc/04/62/98/321046298.db2.gz CVKPLGFFJBBENK-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000565311885 321181141 /nfs/dbraw/zinc/18/11/41/321181141.db2.gz KZEABKGYYAQXLM-OLZOCXBDSA-N 1 2 340.470 1.788 20 30 EDEDLO N#Cc1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)s1 ZINC000565311885 321181143 /nfs/dbraw/zinc/18/11/43/321181143.db2.gz KZEABKGYYAQXLM-OLZOCXBDSA-N 1 2 340.470 1.788 20 30 EDEDLO CC(C)n1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000566116468 321217479 /nfs/dbraw/zinc/21/74/79/321217479.db2.gz JDSYHJWJPFMJJD-UHFFFAOYSA-N 1 2 333.417 1.294 20 30 EDEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3cnn(C)n3)c2)n1 ZINC000289410313 444134750 /nfs/dbraw/zinc/13/47/50/444134750.db2.gz PGDZTVMLMKDXRH-UHFFFAOYSA-N 1 2 339.403 1.514 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000294705453 444139312 /nfs/dbraw/zinc/13/93/12/444139312.db2.gz LLCBMXKMSIVRKO-LBPRGKRZSA-N 1 2 338.205 1.381 20 30 EDEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000294705453 444139318 /nfs/dbraw/zinc/13/93/18/444139318.db2.gz LLCBMXKMSIVRKO-LBPRGKRZSA-N 1 2 338.205 1.381 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000289388074 444127254 /nfs/dbraw/zinc/12/72/54/444127254.db2.gz LHGVVCCAWJGSHI-CABCVRRESA-N 1 2 334.420 1.002 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(C#N)c1C ZINC000295378470 444181043 /nfs/dbraw/zinc/18/10/43/444181043.db2.gz PYKJEJQLTBMFGG-LLVKDONJSA-N 1 2 345.359 1.263 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(C#N)c1C ZINC000295378470 444181045 /nfs/dbraw/zinc/18/10/45/444181045.db2.gz PYKJEJQLTBMFGG-LLVKDONJSA-N 1 2 345.359 1.263 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289693163 444191807 /nfs/dbraw/zinc/19/18/07/444191807.db2.gz QLFSROWVHJFKJB-LSDHHAIUSA-N 1 2 337.370 1.471 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289693163 444191809 /nfs/dbraw/zinc/19/18/09/444191809.db2.gz QLFSROWVHJFKJB-LSDHHAIUSA-N 1 2 337.370 1.471 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305134232 444260188 /nfs/dbraw/zinc/26/01/88/444260188.db2.gz KQSKCIAOGGNDBK-RISCZKNCSA-N 1 2 335.370 1.630 20 30 EDEDLO CN1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)c2ccc[nH+]c21 ZINC000296384881 444224572 /nfs/dbraw/zinc/22/45/72/444224572.db2.gz SFYOSBRZRQSJDX-UHFFFAOYSA-N 1 2 346.387 1.879 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000290695901 444312287 /nfs/dbraw/zinc/31/22/87/444312287.db2.gz JDQGJHFCULDJMF-QGZVFWFLSA-N 1 2 349.438 1.316 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000290695901 444312289 /nfs/dbraw/zinc/31/22/89/444312289.db2.gz JDQGJHFCULDJMF-QGZVFWFLSA-N 1 2 349.438 1.316 20 30 EDEDLO CC[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000318392124 444319505 /nfs/dbraw/zinc/31/95/05/444319505.db2.gz DVONZIAKBFXTSO-GFCCVEGCSA-N 1 2 343.836 1.211 20 30 EDEDLO CC[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000318392124 444319508 /nfs/dbraw/zinc/31/95/08/444319508.db2.gz DVONZIAKBFXTSO-GFCCVEGCSA-N 1 2 343.836 1.211 20 30 EDEDLO C=CCN(CCc1ccco1)C(=O)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000297700014 444320858 /nfs/dbraw/zinc/32/08/58/444320858.db2.gz IGWKJFUEDNULDM-UHFFFAOYSA-N 1 2 344.415 1.582 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000290454467 444282594 /nfs/dbraw/zinc/28/25/94/444282594.db2.gz XSNLGRVFXYFWQW-LJQANCHMSA-N 1 2 348.443 1.675 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000339988568 444349176 /nfs/dbraw/zinc/34/91/76/444349176.db2.gz WTGCJIRNGLBYNU-INIZCTEOSA-N 1 2 337.464 1.050 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F)C1CC1 ZINC000340198154 444369180 /nfs/dbraw/zinc/36/91/80/444369180.db2.gz HHEKGZIPUMEDJC-KWCYVHTRSA-N 1 2 333.354 1.573 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F)C1CC1 ZINC000340198154 444369186 /nfs/dbraw/zinc/36/91/86/444369186.db2.gz HHEKGZIPUMEDJC-KWCYVHTRSA-N 1 2 333.354 1.573 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000328920251 444403774 /nfs/dbraw/zinc/40/37/74/444403774.db2.gz BVUBJLZDMAEECM-FDYHWXHSSA-N 1 2 344.415 1.787 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000328920251 444403777 /nfs/dbraw/zinc/40/37/77/444403777.db2.gz BVUBJLZDMAEECM-FDYHWXHSSA-N 1 2 344.415 1.787 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CC(=O)N([C@@H]3C[C@H]3C)C1)CCC2 ZINC000328654833 444416081 /nfs/dbraw/zinc/41/60/81/444416081.db2.gz MDGXMJSGDVFMQA-FAAHXZRKSA-N 1 2 345.447 1.582 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000340512605 444419890 /nfs/dbraw/zinc/41/98/90/444419890.db2.gz UDZVBUOXWINCMD-HOCLYGCPSA-N 1 2 346.431 1.097 20 30 EDEDLO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)NC(=O)C1CCCC1 ZINC000328903900 444396174 /nfs/dbraw/zinc/39/61/74/444396174.db2.gz INZKSEALDKGMCA-KBMXLJTQSA-N 1 2 337.464 1.843 20 30 EDEDLO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)NC(=O)C1CCCC1 ZINC000328903900 444396175 /nfs/dbraw/zinc/39/61/75/444396175.db2.gz INZKSEALDKGMCA-KBMXLJTQSA-N 1 2 337.464 1.843 20 30 EDEDLO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000328919349 444402266 /nfs/dbraw/zinc/40/22/66/444402266.db2.gz BODFAVAIZAKHTL-VIFPVBQESA-N 1 2 327.344 1.420 20 30 EDEDLO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000328919349 444402272 /nfs/dbraw/zinc/40/22/72/444402272.db2.gz BODFAVAIZAKHTL-VIFPVBQESA-N 1 2 327.344 1.420 20 30 EDEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CCCC2(C)C)CCO1 ZINC000331222698 444448827 /nfs/dbraw/zinc/44/88/27/444448827.db2.gz CSNAUYLKKKIZFE-CHWSQXEVSA-N 1 2 326.441 1.647 20 30 EDEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)N[C@@H]2CCCC2(C)C)CCO1 ZINC000331222698 444448832 /nfs/dbraw/zinc/44/88/32/444448832.db2.gz CSNAUYLKKKIZFE-CHWSQXEVSA-N 1 2 326.441 1.647 20 30 EDEDLO Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)n[nH]1 ZINC000328750440 444448872 /nfs/dbraw/zinc/44/88/72/444448872.db2.gz REXWXJTYSQZQGP-HUUCEWRRSA-N 1 2 334.468 1.057 20 30 EDEDLO Cc1cc([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)n[nH]1 ZINC000328750440 444448874 /nfs/dbraw/zinc/44/88/74/444448874.db2.gz REXWXJTYSQZQGP-HUUCEWRRSA-N 1 2 334.468 1.057 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000337967996 444475012 /nfs/dbraw/zinc/47/50/12/444475012.db2.gz UTKIFJBRVPUBNQ-ZDUSSCGKSA-N 1 2 347.444 1.715 20 30 EDEDLO CCc1c(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)[nH]c(C)c1C(N)=O ZINC000331264837 444460295 /nfs/dbraw/zinc/46/02/95/444460295.db2.gz OXDPRGKQAWGTDZ-LLVKDONJSA-N 1 2 335.452 1.709 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000337961959 444473240 /nfs/dbraw/zinc/47/32/40/444473240.db2.gz DYHDGKOGOBMZQQ-CYBMUJFWSA-N 1 2 333.417 1.441 20 30 EDEDLO Cc1cn2cc(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)ccc2[nH+]1 ZINC000328984146 444434600 /nfs/dbraw/zinc/43/46/00/444434600.db2.gz ZBYXQDLBUBPTQD-CYBMUJFWSA-N 1 2 336.417 1.350 20 30 EDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1csc(N2CCCC2)n1 ZINC000328993044 444436656 /nfs/dbraw/zinc/43/66/56/444436656.db2.gz FWKBXGHBCQXOHZ-CQSZACIVSA-N 1 2 338.477 1.963 20 30 EDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1csc(N2CCCC2)n1 ZINC000328993044 444436660 /nfs/dbraw/zinc/43/66/60/444436660.db2.gz FWKBXGHBCQXOHZ-CQSZACIVSA-N 1 2 338.477 1.963 20 30 EDEDLO Cc1noc([C@H]2CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)n1 ZINC000329118683 444477118 /nfs/dbraw/zinc/47/71/18/444477118.db2.gz JNPGBHOGPDPPKT-LBPRGKRZSA-N 1 2 330.392 1.814 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000329143894 444483410 /nfs/dbraw/zinc/48/34/10/444483410.db2.gz MNDQQKAJRARYOV-UHFFFAOYSA-N 1 2 331.424 1.134 20 30 EDEDLO CC(=O)N1CCC[C@](O)(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000329148645 444484203 /nfs/dbraw/zinc/48/42/03/444484203.db2.gz YKZTVTPWFSYWFK-RHSMWYFYSA-N 1 2 334.420 1.399 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329191773 444496592 /nfs/dbraw/zinc/49/65/92/444496592.db2.gz QOONEQZWAKKKPJ-UPJWGTAASA-N 1 2 345.407 1.000 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cnc(C3CC3)o2)cc1 ZINC000580305452 322033884 /nfs/dbraw/zinc/03/38/84/322033884.db2.gz DRYUTERIUUZUJA-UHFFFAOYSA-N 1 2 331.397 1.987 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000581765985 322217588 /nfs/dbraw/zinc/21/75/88/322217588.db2.gz KCVMTUSDKIDACU-CZUORRHYSA-N 1 2 329.400 1.355 20 30 EDEDLO C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000581765985 322217590 /nfs/dbraw/zinc/21/75/90/322217590.db2.gz KCVMTUSDKIDACU-CZUORRHYSA-N 1 2 329.400 1.355 20 30 EDEDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C(=O)N1CCCCC1 ZINC000329250256 444512716 /nfs/dbraw/zinc/51/27/16/444512716.db2.gz UEYUFWXMVYAUAO-HOCLYGCPSA-N 1 2 337.464 1.845 20 30 EDEDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C(=O)N1CCCCC1 ZINC000329250256 444512718 /nfs/dbraw/zinc/51/27/18/444512718.db2.gz UEYUFWXMVYAUAO-HOCLYGCPSA-N 1 2 337.464 1.845 20 30 EDEDLO C[C@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C(=O)N1CCCCC1 ZINC000329250255 444512943 /nfs/dbraw/zinc/51/29/43/444512943.db2.gz UEYUFWXMVYAUAO-GOEBONIOSA-N 1 2 337.464 1.845 20 30 EDEDLO C[C@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C(=O)N1CCCCC1 ZINC000329250255 444512945 /nfs/dbraw/zinc/51/29/45/444512945.db2.gz UEYUFWXMVYAUAO-GOEBONIOSA-N 1 2 337.464 1.845 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332524211 444518111 /nfs/dbraw/zinc/51/81/11/444518111.db2.gz NXVYPKPAPNXVLC-IRXDYDNUSA-N 1 2 346.427 1.805 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332524211 444518114 /nfs/dbraw/zinc/51/81/14/444518114.db2.gz NXVYPKPAPNXVLC-IRXDYDNUSA-N 1 2 346.427 1.805 20 30 EDEDLO C=CC[C@@H]1N(C(=O)C(=O)N2CCn3c[nH+]cc3C2)CCCC1(C)C ZINC000332693366 444527585 /nfs/dbraw/zinc/52/75/85/444527585.db2.gz RCQKYSMFCFSRRM-HNNXBMFYSA-N 1 2 330.432 1.819 20 30 EDEDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[C@@H]1CCCCO1 ZINC000329308095 444529712 /nfs/dbraw/zinc/52/97/12/444529712.db2.gz YQPYXQNFIKIBCX-JONQDZQNSA-N 1 2 325.453 1.653 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(CCC#N)CCC[NH+](C)C)cc1C#N ZINC000343704533 444532131 /nfs/dbraw/zinc/53/21/31/444532131.db2.gz LHYZKVXUMZGTOA-UHFFFAOYSA-N 1 2 347.444 1.688 20 30 EDEDLO CC(=O)N[C@H](CC1CCC1)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329395835 444562448 /nfs/dbraw/zinc/56/24/48/444562448.db2.gz UFAHIDSRISDLJI-IAOVAPTHSA-N 1 2 337.464 1.843 20 30 EDEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCO[C@]2(CCCOC2)C1 ZINC000329442610 444580639 /nfs/dbraw/zinc/58/06/39/444580639.db2.gz NGUGXZSELXFULD-RHSMWYFYSA-N 1 2 336.436 1.623 20 30 EDEDLO CC(=O)NC1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000329335908 444539231 /nfs/dbraw/zinc/53/92/31/444539231.db2.gz LLUOTITUWZROEP-AWEZNQCLSA-N 1 2 335.408 1.462 20 30 EDEDLO CC(C)c1nnc2n1C[C@@H](NC(=O)C1([NH+]3CCOCC3)CCC1)CC2 ZINC000329480186 444597164 /nfs/dbraw/zinc/59/71/64/444597164.db2.gz VMIWXIKVOMZKFM-AWEZNQCLSA-N 1 2 347.463 1.928 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000342266429 444599951 /nfs/dbraw/zinc/59/99/51/444599951.db2.gz OZZGFEDQNSZNJN-CRAIPNDOSA-N 1 2 339.439 1.911 20 30 EDEDLO Cc1ccc(NC(=O)C2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)nc1 ZINC000329568714 444632494 /nfs/dbraw/zinc/63/24/94/444632494.db2.gz IDFPNGMCFCDOOG-UHFFFAOYSA-N 1 2 330.392 1.312 20 30 EDEDLO C[C@H](C#N)CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)C1CC1 ZINC000338293749 444615814 /nfs/dbraw/zinc/61/58/14/444615814.db2.gz BGUIROAJGMUZSA-CQSZACIVSA-N 1 2 329.448 1.783 20 30 EDEDLO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000329633695 444657810 /nfs/dbraw/zinc/65/78/10/444657810.db2.gz SPQQNPJSQNULSA-SQWLQELKSA-N 1 2 335.452 1.438 20 30 EDEDLO Cn1cc([C@@H]2CSCCN2C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000329634525 444658703 /nfs/dbraw/zinc/65/87/03/444658703.db2.gz TYYNDYPTKFZURU-DOMZBBRYSA-N 1 2 346.460 1.705 20 30 EDEDLO Cn1cc([C@@H]2CSCCN2C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000329634525 444658704 /nfs/dbraw/zinc/65/87/04/444658704.db2.gz TYYNDYPTKFZURU-DOMZBBRYSA-N 1 2 346.460 1.705 20 30 EDEDLO N#C[C@@H]1C[N@@H+](CCO[C@@H]2CCCCO2)C[C@]12C(=O)Nc1ccccc12 ZINC000333388891 444662401 /nfs/dbraw/zinc/66/24/01/444662401.db2.gz YVWLXPMUDHBYFJ-BJZITVGISA-N 1 2 341.411 1.875 20 30 EDEDLO N#C[C@@H]1C[N@H+](CCO[C@@H]2CCCCO2)C[C@]12C(=O)Nc1ccccc12 ZINC000333388891 444662404 /nfs/dbraw/zinc/66/24/04/444662404.db2.gz YVWLXPMUDHBYFJ-BJZITVGISA-N 1 2 341.411 1.875 20 30 EDEDLO C=CCC(CC=C)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341118775 444683016 /nfs/dbraw/zinc/68/30/16/444683016.db2.gz MNVRPMHQXREFPR-OAHLLOKOSA-N 1 2 330.432 1.796 20 30 EDEDLO CO[C@H](C)c1nc(CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cs1 ZINC000329602909 444644547 /nfs/dbraw/zinc/64/45/47/444644547.db2.gz LCKKPCHDUUCHGT-KGYLQXTDSA-N 1 2 340.449 1.279 20 30 EDEDLO CO[C@H](C)c1nc(CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cs1 ZINC000329602909 444644549 /nfs/dbraw/zinc/64/45/49/444644549.db2.gz LCKKPCHDUUCHGT-KGYLQXTDSA-N 1 2 340.449 1.279 20 30 EDEDLO O=C(NC[C@H]1CCCCS1(=O)=O)N1CC[NH+](C2CCC2)CC1 ZINC000329766514 444708836 /nfs/dbraw/zinc/70/88/36/444708836.db2.gz YGLMLRSKKLTEQA-CQSZACIVSA-N 1 2 329.466 1.038 20 30 EDEDLO O=C(NCc1noc2c1CCCC2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329700650 444684699 /nfs/dbraw/zinc/68/46/99/444684699.db2.gz GVHBBUXEBRVZPG-CQSZACIVSA-N 1 2 348.447 1.764 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@@H](c2nccs2)C1 ZINC000329732818 444695975 /nfs/dbraw/zinc/69/59/75/444695975.db2.gz JDDTXVRKTWRABD-ZWNOBZJWSA-N 1 2 333.417 1.711 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@@H](c2nccs2)C1 ZINC000329732818 444695980 /nfs/dbraw/zinc/69/59/80/444695980.db2.gz JDDTXVRKTWRABD-ZWNOBZJWSA-N 1 2 333.417 1.711 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)NC[C@@]3(C)CCCS3)CC2)cn1 ZINC000329881558 444751656 /nfs/dbraw/zinc/75/16/56/444751656.db2.gz ORHRPZAYMZVQMA-MRXNPFEDSA-N 1 2 337.493 1.737 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)NC[C@H]1Cc3ccccc3O1)CCO2 ZINC000329908215 444763581 /nfs/dbraw/zinc/76/35/81/444763581.db2.gz LMQAJGLDGCFJCY-GMBSWORKSA-N 1 2 346.427 1.826 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)NC[C@H]1Cc3ccccc3O1)CCO2 ZINC000329908215 444763586 /nfs/dbraw/zinc/76/35/86/444763586.db2.gz LMQAJGLDGCFJCY-GMBSWORKSA-N 1 2 346.427 1.826 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]21 ZINC000329914515 444765883 /nfs/dbraw/zinc/76/58/83/444765883.db2.gz CMPYOONDDIWWJD-CVEARBPZSA-N 1 2 345.447 1.632 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]21 ZINC000329914515 444765889 /nfs/dbraw/zinc/76/58/89/444765889.db2.gz CMPYOONDDIWWJD-CVEARBPZSA-N 1 2 345.447 1.632 20 30 EDEDLO CNC(=O)c1ccc(C)c(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329927418 444772053 /nfs/dbraw/zinc/77/20/53/444772053.db2.gz LOKXSKAVXZKYDW-GJZGRUSLSA-N 1 2 332.404 1.490 20 30 EDEDLO CNC(=O)c1ccc(C)c(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329927418 444772057 /nfs/dbraw/zinc/77/20/57/444772057.db2.gz LOKXSKAVXZKYDW-GJZGRUSLSA-N 1 2 332.404 1.490 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]21 ZINC000329927086 444772272 /nfs/dbraw/zinc/77/22/72/444772272.db2.gz LIJTUSOIWWTWKD-MFKMUULPSA-N 1 2 341.314 1.568 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]21 ZINC000329927086 444772275 /nfs/dbraw/zinc/77/22/75/444772275.db2.gz LIJTUSOIWWTWKD-MFKMUULPSA-N 1 2 341.314 1.568 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000329986289 444800762 /nfs/dbraw/zinc/80/07/62/444800762.db2.gz FCLGVEXJESSUBP-SWHMAYCHSA-N 1 2 335.473 1.628 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000329986289 444800763 /nfs/dbraw/zinc/80/07/63/444800763.db2.gz FCLGVEXJESSUBP-SWHMAYCHSA-N 1 2 335.473 1.628 20 30 EDEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)C1CCOCC1 ZINC000329989640 444801812 /nfs/dbraw/zinc/80/18/12/444801812.db2.gz IFXBBYVQBAFEBI-CQSZACIVSA-N 1 2 335.452 1.267 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000336908837 444846328 /nfs/dbraw/zinc/84/63/28/444846328.db2.gz GNWNVUKIQHWLLG-UHFFFAOYSA-N 1 2 347.444 1.501 20 30 EDEDLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)n1cnc(C#N)n1 ZINC000336910282 444847269 /nfs/dbraw/zinc/84/72/69/444847269.db2.gz WXVXAXJJSZFMMY-NSHDSACASA-N 1 2 339.334 1.352 20 30 EDEDLO CC(=O)N1CC[NH+](CCNC(=O)Cc2csc3nccn23)CC1 ZINC000330150046 444863415 /nfs/dbraw/zinc/86/34/15/444863415.db2.gz MXXKDFWHHXCUIY-UHFFFAOYSA-N 1 2 335.433 1.059 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000336945832 444867942 /nfs/dbraw/zinc/86/79/42/444867942.db2.gz NTXZTSJXNVAIQX-LBPRGKRZSA-N 1 2 333.417 1.503 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccccc2)CC1 ZINC000330182255 444877563 /nfs/dbraw/zinc/87/75/63/444877563.db2.gz HEAKPNZDEFSIRR-HNNXBMFYSA-N 1 2 325.416 1.934 20 30 EDEDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccccc2)CC1 ZINC000330182255 444877567 /nfs/dbraw/zinc/87/75/67/444877567.db2.gz HEAKPNZDEFSIRR-HNNXBMFYSA-N 1 2 325.416 1.934 20 30 EDEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330191916 444880362 /nfs/dbraw/zinc/88/03/62/444880362.db2.gz NJPXHDVICSYTTE-CABCVRRESA-N 1 2 328.420 1.781 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)NCC3CC(F)(F)C3)CC2)cn1 ZINC000330220665 444894223 /nfs/dbraw/zinc/89/42/23/444894223.db2.gz QLMMNYOHDUETPA-UHFFFAOYSA-N 1 2 327.379 1.497 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000330230202 444897765 /nfs/dbraw/zinc/89/77/65/444897765.db2.gz WJMNCOLDVDKLJX-FMKPAKJESA-N 1 2 343.493 1.265 20 30 EDEDLO O=C(NCC[NH+]1CCOCC1)NC[C@@H]1SCCc2ccccc21 ZINC000330231560 444898725 /nfs/dbraw/zinc/89/87/25/444898725.db2.gz WYDHJYXJHPOTGW-INIZCTEOSA-N 1 2 335.473 1.853 20 30 EDEDLO CC(=O)N1CCC(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000330264384 444913537 /nfs/dbraw/zinc/91/35/37/444913537.db2.gz XWIQUQMFAMRIAS-MRXNPFEDSA-N 1 2 333.436 1.520 20 30 EDEDLO CC(=O)N1CCC(C[NH+]=C([O-])N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000330264384 444913541 /nfs/dbraw/zinc/91/35/41/444913541.db2.gz XWIQUQMFAMRIAS-MRXNPFEDSA-N 1 2 333.436 1.520 20 30 EDEDLO COC[C@H]1C[C@H](OC)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000344363555 444920302 /nfs/dbraw/zinc/92/03/02/444920302.db2.gz ZQSBGEPRAQQKSG-CABCVRRESA-N 1 2 338.429 1.068 20 30 EDEDLO COC[C@H]1C[C@H](OC)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000344363555 444920306 /nfs/dbraw/zinc/92/03/06/444920306.db2.gz ZQSBGEPRAQQKSG-CABCVRRESA-N 1 2 338.429 1.068 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000338907226 444925454 /nfs/dbraw/zinc/92/54/54/444925454.db2.gz IFSGZHFITBRAGI-UHFFFAOYSA-N 1 2 339.355 1.889 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)CCC3CCCC3)CC2)C1=O ZINC000337125976 444953453 /nfs/dbraw/zinc/95/34/53/444953453.db2.gz FJFYTGNSFUEIJJ-KRWDZBQOSA-N 1 2 333.476 1.888 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330371341 444956366 /nfs/dbraw/zinc/95/63/66/444956366.db2.gz INAAJLSTJVIVLY-UKRRQHHQSA-N 1 2 338.433 1.261 20 30 EDEDLO Cc1nc(C(=O)N(C)C)ccc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000330607539 445059160 /nfs/dbraw/zinc/05/91/60/445059160.db2.gz PGUNMAVJJBTGFA-GFCCVEGCSA-N 1 2 334.420 1.117 20 30 EDEDLO CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000330644457 445076154 /nfs/dbraw/zinc/07/61/54/445076154.db2.gz SMXMKDRBBQWUKO-QLFBSQMISA-N 1 2 340.468 1.000 20 30 EDEDLO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000342007175 445120821 /nfs/dbraw/zinc/12/08/21/445120821.db2.gz AIAAGPVPLONTDM-ZDUSSCGKSA-N 1 2 334.445 1.939 20 30 EDEDLO CCNC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000342007175 445120822 /nfs/dbraw/zinc/12/08/22/445120822.db2.gz AIAAGPVPLONTDM-ZDUSSCGKSA-N 1 2 334.445 1.939 20 30 EDEDLO CNC(=O)c1ccc(OC)c(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000330746097 445123956 /nfs/dbraw/zinc/12/39/56/445123956.db2.gz TUGOFBKYZYNGNR-CYBMUJFWSA-N 1 2 349.435 1.201 20 30 EDEDLO CNC(=O)c1ccc(OC)c(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000330746097 445123960 /nfs/dbraw/zinc/12/39/60/445123960.db2.gz TUGOFBKYZYNGNR-CYBMUJFWSA-N 1 2 349.435 1.201 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000339860046 445175427 /nfs/dbraw/zinc/17/54/27/445175427.db2.gz RZAFKGGIEHPLPS-CQSZACIVSA-N 1 2 330.363 1.409 20 30 EDEDLO N#Cc1ccc(CNC(=O)Cn2c3ccccc3[nH+]c2NCCO)cc1 ZINC000346370202 445212778 /nfs/dbraw/zinc/21/27/78/445212778.db2.gz HLFLUCLODDFUBJ-UHFFFAOYSA-N 1 2 349.394 1.629 20 30 EDEDLO CC#CCCNC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000347937970 445257132 /nfs/dbraw/zinc/25/71/32/445257132.db2.gz BVLVTRGUKLEEPK-PBHICJAKSA-N 1 2 343.431 1.327 20 30 EDEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000348044956 445263887 /nfs/dbraw/zinc/26/38/87/445263887.db2.gz CDIOPUXLTDBGKS-UHFFFAOYSA-N 1 2 345.490 1.351 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000348543749 445321290 /nfs/dbraw/zinc/32/12/90/445321290.db2.gz MGVDUEDZBWYQOO-SWLSCSKDSA-N 1 2 327.450 1.021 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000348543749 445321295 /nfs/dbraw/zinc/32/12/95/445321295.db2.gz MGVDUEDZBWYQOO-SWLSCSKDSA-N 1 2 327.450 1.021 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N(Cc2[nH+]ccn2CC(F)(F)F)C1=O ZINC000348423874 445285493 /nfs/dbraw/zinc/28/54/93/445285493.db2.gz OVHWYEKWKVDWKD-VIFPVBQESA-N 1 2 332.282 1.068 20 30 EDEDLO C[C@](O)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000362461055 445393859 /nfs/dbraw/zinc/39/38/59/445393859.db2.gz QOVSMAWGYAIDFD-LJQANCHMSA-N 1 2 327.428 1.754 20 30 EDEDLO CC#CCCCC(=O)N(C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000351953243 445396559 /nfs/dbraw/zinc/39/65/59/445396559.db2.gz CUKHPZKVILFZFF-CVEARBPZSA-N 1 2 334.439 1.985 20 30 EDEDLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000348929048 445444958 /nfs/dbraw/zinc/44/49/58/445444958.db2.gz UKHQGPCWINWHFB-UHFFFAOYSA-N 1 2 331.420 1.136 20 30 EDEDLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000348929048 445444960 /nfs/dbraw/zinc/44/49/60/445444960.db2.gz UKHQGPCWINWHFB-UHFFFAOYSA-N 1 2 331.420 1.136 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000355446548 445460363 /nfs/dbraw/zinc/46/03/63/445460363.db2.gz RAGYCSOQJRMNFB-UHFFFAOYSA-N 1 2 334.376 1.028 20 30 EDEDLO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352491657 445533660 /nfs/dbraw/zinc/53/36/60/445533660.db2.gz RXWKCEGYXBHCOU-CYBMUJFWSA-N 1 2 325.384 1.258 20 30 EDEDLO COC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000355934132 445535621 /nfs/dbraw/zinc/53/56/21/445535621.db2.gz FTNBKOOBLYGWTJ-UHFFFAOYSA-N 1 2 342.443 1.955 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352794874 445556434 /nfs/dbraw/zinc/55/64/34/445556434.db2.gz SAHOXRMMZULOOA-WQVCFCJDSA-N 1 2 335.379 1.152 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352794874 445556436 /nfs/dbraw/zinc/55/64/36/445556436.db2.gz SAHOXRMMZULOOA-WQVCFCJDSA-N 1 2 335.379 1.152 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2COC[C@@H]2O)c1C ZINC000352815625 445557172 /nfs/dbraw/zinc/55/71/72/445557172.db2.gz KVUBMFMLAGSXDH-SJORKVTESA-N 1 2 331.416 1.242 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2COC[C@@H]2O)c1C ZINC000352815625 445557176 /nfs/dbraw/zinc/55/71/76/445557176.db2.gz KVUBMFMLAGSXDH-SJORKVTESA-N 1 2 331.416 1.242 20 30 EDEDLO C=CCOc1ccc(C[N@@H+](CCOC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000349252037 445547253 /nfs/dbraw/zinc/54/72/53/445547253.db2.gz SDNUHVIZGQAKPZ-INIZCTEOSA-N 1 2 339.457 1.887 20 30 EDEDLO C=CCOc1ccc(C[N@H+](CCOC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000349252037 445547259 /nfs/dbraw/zinc/54/72/59/445547259.db2.gz SDNUHVIZGQAKPZ-INIZCTEOSA-N 1 2 339.457 1.887 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)C(N)=O)cc1 ZINC000360061640 445549776 /nfs/dbraw/zinc/54/97/76/445549776.db2.gz SNBLWODRYRXTOT-YJBOKZPZSA-N 1 2 334.379 1.480 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000356077013 445605780 /nfs/dbraw/zinc/60/57/80/445605780.db2.gz KEZILSNFJPPPGX-VYDXJSESSA-N 1 2 343.427 1.647 20 30 EDEDLO Cc1cc(C[NH+]2CCN(C(=O)C(=O)NC(C)C)CC2)ccc1C#N ZINC000362957097 445628084 /nfs/dbraw/zinc/62/80/84/445628084.db2.gz GWKTZHMHURFSPX-UHFFFAOYSA-N 1 2 328.416 1.036 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000356050505 445590738 /nfs/dbraw/zinc/59/07/38/445590738.db2.gz JPZGCWLBBRHUIR-VBQJREDUSA-N 1 2 338.427 1.118 20 30 EDEDLO CCOC(=O)C1([N@H+](C)CC(=O)N(CCC#N)CCC#N)CCCCC1 ZINC000357923166 445594121 /nfs/dbraw/zinc/59/41/21/445594121.db2.gz CPIJSAAHXOIJCU-UHFFFAOYSA-N 1 2 348.447 1.840 20 30 EDEDLO CCOC(=O)C1([N@@H+](C)CC(=O)N(CCC#N)CCC#N)CCCCC1 ZINC000357923166 445594127 /nfs/dbraw/zinc/59/41/27/445594127.db2.gz CPIJSAAHXOIJCU-UHFFFAOYSA-N 1 2 348.447 1.840 20 30 EDEDLO Cc1cc(NC(=O)C2CC[NH+](Cc3nc(C#N)cs3)CC2)no1 ZINC000356056443 445594684 /nfs/dbraw/zinc/59/46/84/445594684.db2.gz MLMCPGNJTFUJPL-UHFFFAOYSA-N 1 2 331.401 2.162 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)cn1 ZINC000353560325 445657214 /nfs/dbraw/zinc/65/72/14/445657214.db2.gz NCPWQTKQCPODGK-UHFFFAOYSA-N 1 2 342.378 1.781 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000358702877 445727892 /nfs/dbraw/zinc/72/78/92/445727892.db2.gz GNTQJUDTNSPBRO-UHFFFAOYSA-N 1 2 339.334 1.938 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000360738161 445730493 /nfs/dbraw/zinc/73/04/93/445730493.db2.gz ZIGAAEFMKSNRHB-BXUZGUMPSA-N 1 2 339.342 1.084 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000360738161 445730495 /nfs/dbraw/zinc/73/04/95/445730495.db2.gz ZIGAAEFMKSNRHB-BXUZGUMPSA-N 1 2 339.342 1.084 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)CC2CCCC2)CC1 ZINC000363344767 445773743 /nfs/dbraw/zinc/77/37/43/445773743.db2.gz LAWHGKJBKDJVSM-MRXNPFEDSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)CC2CCCC2)CC1 ZINC000363344767 445773747 /nfs/dbraw/zinc/77/37/47/445773747.db2.gz LAWHGKJBKDJVSM-MRXNPFEDSA-N 1 2 333.476 1.487 20 30 EDEDLO CC[C@@H]1CN(CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000363451290 445810714 /nfs/dbraw/zinc/81/07/14/445810714.db2.gz TVYSJNDUJRLUJJ-SOLBZPMBSA-N 1 2 336.480 1.083 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]1c1cccnc1 ZINC000363693658 445868819 /nfs/dbraw/zinc/86/88/19/445868819.db2.gz MXUBYRYHCKRXCV-SJORKVTESA-N 1 2 328.416 1.260 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(C#N)CCc2ccccc2C1 ZINC000364183654 445900400 /nfs/dbraw/zinc/90/04/00/445900400.db2.gz YDPZCWSYUOMHHJ-OXQOHEQNSA-N 1 2 341.455 1.864 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)c1 ZINC000366012699 445961511 /nfs/dbraw/zinc/96/15/11/445961511.db2.gz VXPMQCXNFISSKY-OAHLLOKOSA-N 1 2 336.395 1.908 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000356717239 445964045 /nfs/dbraw/zinc/96/40/45/445964045.db2.gz VIBTXNKSVGHFAD-DZGCQCFKSA-N 1 2 336.436 1.372 20 30 EDEDLO CCc1nc(C[N@H+]2C[C@H]3CN(c4c(C#N)cccc4C#N)C[C@H]3C2)no1 ZINC000373064898 446002964 /nfs/dbraw/zinc/00/29/64/446002964.db2.gz ZEWRVHORAZQQJP-IYBDPMFKSA-N 1 2 348.410 1.944 20 30 EDEDLO CCc1nc(C[N@@H+]2C[C@H]3CN(c4c(C#N)cccc4C#N)C[C@H]3C2)no1 ZINC000373064898 446002966 /nfs/dbraw/zinc/00/29/66/446002966.db2.gz ZEWRVHORAZQQJP-IYBDPMFKSA-N 1 2 348.410 1.944 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000583761227 326134841 /nfs/dbraw/zinc/13/48/41/326134841.db2.gz KMSHYRQSLDBJNA-CYBMUJFWSA-N 1 2 341.390 1.948 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000583761227 326134845 /nfs/dbraw/zinc/13/48/45/326134845.db2.gz KMSHYRQSLDBJNA-CYBMUJFWSA-N 1 2 341.390 1.948 20 30 EDEDLO CO[C@H](C)c1noc(CN(C)Cc2c[nH+]c3ccc(C#N)cn23)n1 ZINC000354318372 446108885 /nfs/dbraw/zinc/10/88/85/446108885.db2.gz KITPIYWHVFTSID-LLVKDONJSA-N 1 2 326.360 1.928 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000369948002 446169933 /nfs/dbraw/zinc/16/99/33/446169933.db2.gz JGNUUGQGVTVHKP-CYBMUJFWSA-N 1 2 339.465 1.378 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000366422858 446205598 /nfs/dbraw/zinc/20/55/98/446205598.db2.gz SPHBGKZEBZZNOP-QGZVFWFLSA-N 1 2 347.378 1.917 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000366422858 446205601 /nfs/dbraw/zinc/20/56/01/446205601.db2.gz SPHBGKZEBZZNOP-QGZVFWFLSA-N 1 2 347.378 1.917 20 30 EDEDLO N#Cc1c(F)cccc1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000362304289 446312613 /nfs/dbraw/zinc/31/26/13/446312613.db2.gz FWRVWWJPMGZZNM-UHFFFAOYSA-N 1 2 331.391 1.768 20 30 EDEDLO COc1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)ccc1C#N ZINC000367037689 446480740 /nfs/dbraw/zinc/48/07/40/446480740.db2.gz UQRMZIAVZOWJMM-OAHLLOKOSA-N 1 2 337.445 1.469 20 30 EDEDLO COc1cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)ccc1C#N ZINC000367037689 446480744 /nfs/dbraw/zinc/48/07/44/446480744.db2.gz UQRMZIAVZOWJMM-OAHLLOKOSA-N 1 2 337.445 1.469 20 30 EDEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000367522907 446558077 /nfs/dbraw/zinc/55/80/77/446558077.db2.gz KHDSIKQZSXFHQV-KGLIPLIRSA-N 1 2 349.353 1.468 20 30 EDEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000367522907 446558079 /nfs/dbraw/zinc/55/80/79/446558079.db2.gz KHDSIKQZSXFHQV-KGLIPLIRSA-N 1 2 349.353 1.468 20 30 EDEDLO C[N@H+](C[C@H](O)C(F)(F)F)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411439561 446544257 /nfs/dbraw/zinc/54/42/57/446544257.db2.gz PYCUAQBDTXSHRT-STQMWFEESA-N 1 2 327.306 1.519 20 30 EDEDLO C[N@@H+](C[C@H](O)C(F)(F)F)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411439561 446544261 /nfs/dbraw/zinc/54/42/61/446544261.db2.gz PYCUAQBDTXSHRT-STQMWFEESA-N 1 2 327.306 1.519 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000367485386 446553957 /nfs/dbraw/zinc/55/39/57/446553957.db2.gz XOECOGVYRNLALA-IXDOHACOSA-N 1 2 349.475 1.845 20 30 EDEDLO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000367485386 446553959 /nfs/dbraw/zinc/55/39/59/446553959.db2.gz XOECOGVYRNLALA-IXDOHACOSA-N 1 2 349.475 1.845 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000453674860 446593490 /nfs/dbraw/zinc/59/34/90/446593490.db2.gz QXSCWNQQXMIBQL-UHFFFAOYSA-N 1 2 337.383 1.935 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000453674860 446593498 /nfs/dbraw/zinc/59/34/98/446593498.db2.gz QXSCWNQQXMIBQL-UHFFFAOYSA-N 1 2 337.383 1.935 20 30 EDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000434694816 446658081 /nfs/dbraw/zinc/65/80/81/446658081.db2.gz WGDBXCLFHQUULW-MRXNPFEDSA-N 1 2 330.432 1.127 20 30 EDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000434694816 446658084 /nfs/dbraw/zinc/65/80/84/446658084.db2.gz WGDBXCLFHQUULW-MRXNPFEDSA-N 1 2 330.432 1.127 20 30 EDEDLO C[N@H+](CCN1CCOC(C)(C)C1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000434694816 446658091 /nfs/dbraw/zinc/65/80/91/446658091.db2.gz WGDBXCLFHQUULW-MRXNPFEDSA-N 1 2 330.432 1.127 20 30 EDEDLO C[N@@H+](CCN1CCOC(C)(C)C1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000434694816 446658097 /nfs/dbraw/zinc/65/80/97/446658097.db2.gz WGDBXCLFHQUULW-MRXNPFEDSA-N 1 2 330.432 1.127 20 30 EDEDLO C=CCOc1cccc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000435125726 446679936 /nfs/dbraw/zinc/67/99/36/446679936.db2.gz GTPZLADTKQAZGA-MRXNPFEDSA-N 1 2 349.431 1.408 20 30 EDEDLO C=CCCCCNC(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000376883297 446775702 /nfs/dbraw/zinc/77/57/02/446775702.db2.gz GOHWCXIPIUBHPW-UHFFFAOYSA-N 1 2 338.496 1.975 20 30 EDEDLO C=CCCCCNC(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000376883297 446775710 /nfs/dbraw/zinc/77/57/10/446775710.db2.gz GOHWCXIPIUBHPW-UHFFFAOYSA-N 1 2 338.496 1.975 20 30 EDEDLO CC#CCNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000377027195 446869249 /nfs/dbraw/zinc/86/92/49/446869249.db2.gz HAZKVCADJYPELJ-UHFFFAOYSA-N 1 2 334.379 1.680 20 30 EDEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000371782169 446964406 /nfs/dbraw/zinc/96/44/06/446964406.db2.gz UCBQMQOWDLFQDH-GUDVDZBRSA-N 1 2 329.444 1.451 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1 ZINC000377311905 447058693 /nfs/dbraw/zinc/05/86/93/447058693.db2.gz SICGWOGESIVTMC-SJORKVTESA-N 1 2 349.456 1.231 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1 ZINC000377311905 447058696 /nfs/dbraw/zinc/05/86/96/447058696.db2.gz SICGWOGESIVTMC-SJORKVTESA-N 1 2 349.456 1.231 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(c3ncc4c(c3C#N)CCC4)C2)CC1 ZINC000425231821 447072698 /nfs/dbraw/zinc/07/26/98/447072698.db2.gz SYPRURBHLBUGNJ-MRXNPFEDSA-N 1 2 325.460 1.658 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNc1cc(NC[C@@H]2CCO[C@H]2C=C)[nH+]cn1 ZINC000425256498 447082478 /nfs/dbraw/zinc/08/24/78/447082478.db2.gz AGCAPMIWJVOMDY-VGWMRTNUSA-N 1 2 330.432 2.483 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)c[nH+]2)CCO1 ZINC000425420272 447156305 /nfs/dbraw/zinc/15/63/05/447156305.db2.gz KWHXYXLCSNANGL-OFQRWUPVSA-N 1 2 343.431 1.798 20 30 EDEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000425480153 447184210 /nfs/dbraw/zinc/18/42/10/447184210.db2.gz DYCOAXCPYJEYRR-RFAUZJTJSA-N 1 2 336.417 1.389 20 30 EDEDLO C=C[C@H](CO)NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455857737 447244714 /nfs/dbraw/zinc/24/47/14/447244714.db2.gz AFDMRPWBLGYCHQ-MRVPVSSYSA-N 1 2 329.198 1.579 20 30 EDEDLO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000446832069 447258967 /nfs/dbraw/zinc/25/89/67/447258967.db2.gz LQPYVEAJFFGMSI-HNNXBMFYSA-N 1 2 332.429 1.605 20 30 EDEDLO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000446832069 447258973 /nfs/dbraw/zinc/25/89/73/447258973.db2.gz LQPYVEAJFFGMSI-HNNXBMFYSA-N 1 2 332.429 1.605 20 30 EDEDLO CS(=O)(=O)[C@H]1CCCCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000446832069 447258975 /nfs/dbraw/zinc/25/89/75/447258975.db2.gz LQPYVEAJFFGMSI-HNNXBMFYSA-N 1 2 332.429 1.605 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000495081360 447476334 /nfs/dbraw/zinc/47/63/34/447476334.db2.gz SZYXJCXZHMOOAH-IAGOWNOFSA-N 1 2 349.427 1.419 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC000495081360 447476336 /nfs/dbraw/zinc/47/63/36/447476336.db2.gz SZYXJCXZHMOOAH-IAGOWNOFSA-N 1 2 349.427 1.419 20 30 EDEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)c2nccc(C#N)n2)on1 ZINC000450468944 447498474 /nfs/dbraw/zinc/49/84/74/447498474.db2.gz PQAXCPLCRULRKJ-JSGCOSHPSA-N 1 2 330.367 1.694 20 30 EDEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)c2nccc(C#N)n2)on1 ZINC000450468944 447498484 /nfs/dbraw/zinc/49/84/84/447498484.db2.gz PQAXCPLCRULRKJ-JSGCOSHPSA-N 1 2 330.367 1.694 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000450543471 447520326 /nfs/dbraw/zinc/52/03/26/447520326.db2.gz YQAPBWJVGJOSEM-GFCCVEGCSA-N 1 2 332.360 1.763 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000450543471 447520331 /nfs/dbraw/zinc/52/03/31/447520331.db2.gz YQAPBWJVGJOSEM-GFCCVEGCSA-N 1 2 332.360 1.763 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000459037470 447548080 /nfs/dbraw/zinc/54/80/80/447548080.db2.gz FTFMXSKCYIHADX-ZACQAIPSSA-N 1 2 336.480 1.141 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000495841306 447605809 /nfs/dbraw/zinc/60/58/09/447605809.db2.gz HAUDORIKOIDEDB-AWEZNQCLSA-N 1 2 349.435 1.099 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000496065986 447703875 /nfs/dbraw/zinc/70/38/75/447703875.db2.gz MPDXEEASOWRFIU-OCCSQVGLSA-N 1 2 347.419 1.560 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000496065986 447703879 /nfs/dbraw/zinc/70/38/79/447703879.db2.gz MPDXEEASOWRFIU-OCCSQVGLSA-N 1 2 347.419 1.560 20 30 EDEDLO CC(C)[C@@H](CNS(=O)(=O)CC(C)(C)CC#N)[NH+]1CCN(C)CC1 ZINC000451244488 447710990 /nfs/dbraw/zinc/71/09/90/447710990.db2.gz NHDFESWYRHNPCC-OAHLLOKOSA-N 1 2 344.525 1.118 20 30 EDEDLO CC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C(C)C ZINC000428798566 447716749 /nfs/dbraw/zinc/71/67/49/447716749.db2.gz BLIJDWKOIFNQCZ-YJBOKZPZSA-N 1 2 344.415 1.136 20 30 EDEDLO CC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C(C)C ZINC000428798566 447716752 /nfs/dbraw/zinc/71/67/52/447716752.db2.gz BLIJDWKOIFNQCZ-YJBOKZPZSA-N 1 2 344.415 1.136 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451260820 447717866 /nfs/dbraw/zinc/71/78/66/447717866.db2.gz JAIFSTMFIYVQRX-MJGOQNOKSA-N 1 2 332.419 1.987 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451260820 447717869 /nfs/dbraw/zinc/71/78/69/447717869.db2.gz JAIFSTMFIYVQRX-MJGOQNOKSA-N 1 2 332.419 1.987 20 30 EDEDLO CCC(CC)(NC(=O)C1C[NH+](Cc2cc(C#N)cs2)C1)C(N)=O ZINC000459632462 447725985 /nfs/dbraw/zinc/72/59/85/447725985.db2.gz NFXSWYAVSVETSI-UHFFFAOYSA-N 1 2 334.445 1.212 20 30 EDEDLO COC(=O)[C@H]1C[N@H+](CC2(C#N)CCC2)[C@H](C)CN1CC1(C#N)CCC1 ZINC000451730080 447748285 /nfs/dbraw/zinc/74/82/85/447748285.db2.gz WTPZGUXZBAGDNC-HZPDHXFCSA-N 1 2 344.459 1.922 20 30 EDEDLO COC(=O)[C@H]1C[N@@H+](CC2(C#N)CCC2)[C@H](C)CN1CC1(C#N)CCC1 ZINC000451730080 447748288 /nfs/dbraw/zinc/74/82/88/447748288.db2.gz WTPZGUXZBAGDNC-HZPDHXFCSA-N 1 2 344.459 1.922 20 30 EDEDLO CC[C@@H]1C[N@H+](CC)CCN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000451729160 447748609 /nfs/dbraw/zinc/74/86/09/447748609.db2.gz JNPOJNZANLGEBI-MRXNPFEDSA-N 1 2 335.473 1.748 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC)CCN1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000451729160 447748615 /nfs/dbraw/zinc/74/86/15/447748615.db2.gz JNPOJNZANLGEBI-MRXNPFEDSA-N 1 2 335.473 1.748 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451746962 447750000 /nfs/dbraw/zinc/75/00/00/447750000.db2.gz DHYXFZGWELJJKM-FRFSOERESA-N 1 2 347.415 1.022 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451746962 447750003 /nfs/dbraw/zinc/75/00/03/447750003.db2.gz DHYXFZGWELJJKM-FRFSOERESA-N 1 2 347.415 1.022 20 30 EDEDLO CO[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1O ZINC000451749738 447750103 /nfs/dbraw/zinc/75/01/03/447750103.db2.gz NXYMHRDRASOESH-IAGOWNOFSA-N 1 2 331.416 1.242 20 30 EDEDLO CO[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1O ZINC000451749738 447750109 /nfs/dbraw/zinc/75/01/09/447750109.db2.gz NXYMHRDRASOESH-IAGOWNOFSA-N 1 2 331.416 1.242 20 30 EDEDLO CN(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000451984318 447797115 /nfs/dbraw/zinc/79/71/15/447797115.db2.gz DAYLHMADBBWHGN-HNNXBMFYSA-N 1 2 349.479 1.407 20 30 EDEDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000451984318 447797120 /nfs/dbraw/zinc/79/71/20/447797120.db2.gz DAYLHMADBBWHGN-HNNXBMFYSA-N 1 2 349.479 1.407 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)NCC(=O)Nc1cccc(Cl)c1C ZINC000569705977 447873212 /nfs/dbraw/zinc/87/32/12/447873212.db2.gz GYHRYBORHJIXOQ-GFCCVEGCSA-N 1 2 336.823 1.985 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000491165783 447945997 /nfs/dbraw/zinc/94/59/97/447945997.db2.gz NEICBGHPHRNFNA-HOCLYGCPSA-N 1 2 347.436 1.588 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000491165783 447946000 /nfs/dbraw/zinc/94/60/00/447946000.db2.gz NEICBGHPHRNFNA-HOCLYGCPSA-N 1 2 347.436 1.588 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccoc3)n2C[C@@H]2CCOC2)CC1 ZINC000491201474 447953751 /nfs/dbraw/zinc/95/37/51/447953751.db2.gz ICGUROUBBXJRTJ-HNNXBMFYSA-N 1 2 341.415 1.330 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2cccnc2Cl)CC1 ZINC000491101133 447922430 /nfs/dbraw/zinc/92/24/30/447922430.db2.gz IZIFZARDBCBELC-UHFFFAOYSA-N 1 2 334.807 1.135 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2cc(F)ccc2F)n1 ZINC000491285831 447982809 /nfs/dbraw/zinc/98/28/09/447982809.db2.gz FRKXYNWUSCEMBP-GOSISDBHSA-N 1 2 349.381 1.977 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2cc(F)ccc2F)n1 ZINC000491285831 447982812 /nfs/dbraw/zinc/98/28/12/447982812.db2.gz FRKXYNWUSCEMBP-GOSISDBHSA-N 1 2 349.381 1.977 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)C)CC1 ZINC000491251918 447972462 /nfs/dbraw/zinc/97/24/62/447972462.db2.gz DDHUWCCTKIZSLC-INIZCTEOSA-N 1 2 331.464 1.931 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000491253852 447973608 /nfs/dbraw/zinc/97/36/08/447973608.db2.gz PVNLIMLTPKMVNX-CQSZACIVSA-N 1 2 328.347 1.555 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000491438575 448028637 /nfs/dbraw/zinc/02/86/37/448028637.db2.gz DOWHAFOJUATYPM-QGZVFWFLSA-N 1 2 336.395 1.871 20 30 EDEDLO Cc1nnc([C@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000570780295 448062364 /nfs/dbraw/zinc/06/23/64/448062364.db2.gz VYTRMBTWWCYCGG-GOEBONIOSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1nnc([C@H]2CC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000570780295 448062368 /nfs/dbraw/zinc/06/23/68/448062368.db2.gz VYTRMBTWWCYCGG-GOEBONIOSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000570780295 448062371 /nfs/dbraw/zinc/06/23/71/448062371.db2.gz VYTRMBTWWCYCGG-GOEBONIOSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1n[nH]c([C@H]2CC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000570780295 448062375 /nfs/dbraw/zinc/06/23/75/448062375.db2.gz VYTRMBTWWCYCGG-GOEBONIOSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1nc([C@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000570780295 448062380 /nfs/dbraw/zinc/06/23/80/448062380.db2.gz VYTRMBTWWCYCGG-GOEBONIOSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1nc([C@H]2CC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000570780295 448062383 /nfs/dbraw/zinc/06/23/83/448062383.db2.gz VYTRMBTWWCYCGG-GOEBONIOSA-N 1 2 336.399 1.580 20 30 EDEDLO C#C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000491711514 448085632 /nfs/dbraw/zinc/08/56/32/448085632.db2.gz VKUKCINFZHHCNP-INIZCTEOSA-N 1 2 340.420 1.142 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(C)C ZINC000491711450 448085691 /nfs/dbraw/zinc/08/56/91/448085691.db2.gz UTPSVXQKCDPUIK-JYJNAYRXSA-N 1 2 335.427 1.290 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(C)C ZINC000491711450 448085695 /nfs/dbraw/zinc/08/56/95/448085695.db2.gz UTPSVXQKCDPUIK-JYJNAYRXSA-N 1 2 335.427 1.290 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cn2c3cccc(C)c3sc2=O)CC1 ZINC000491750610 448104534 /nfs/dbraw/zinc/10/45/34/448104534.db2.gz IONWJIMAXJAFML-UHFFFAOYSA-N 1 2 329.425 1.149 20 30 EDEDLO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000576765530 448135502 /nfs/dbraw/zinc/13/55/02/448135502.db2.gz KHHWIVUOMPHFOY-INIZCTEOSA-N 1 2 331.416 1.101 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000558571121 448198305 /nfs/dbraw/zinc/19/83/05/448198305.db2.gz HDQVXCBCRPHUIP-WMZOPIPTSA-N 1 2 345.443 1.625 20 30 EDEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000571766480 448203137 /nfs/dbraw/zinc/20/31/37/448203137.db2.gz WDBGCTZPOQGWRQ-BLLLJJGKSA-N 1 2 336.461 1.919 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000562027758 448242225 /nfs/dbraw/zinc/24/22/25/448242225.db2.gz DAISYOJWSDHBLF-HOTGVXAUSA-N 1 2 337.464 1.171 20 30 EDEDLO N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000562484998 448254973 /nfs/dbraw/zinc/25/49/73/448254973.db2.gz RQNPDSIAUADTRO-UHFFFAOYSA-N 1 2 337.339 1.808 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000532422142 448257610 /nfs/dbraw/zinc/25/76/10/448257610.db2.gz ZCIHJPFCRMUEHC-IRXDYDNUSA-N 1 2 349.456 1.480 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1nc2ncccn2n1 ZINC000563008452 448281236 /nfs/dbraw/zinc/28/12/36/448281236.db2.gz ZASGHENELXJPHQ-OAHLLOKOSA-N 1 2 339.399 1.382 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](n3ccnn3)C2)C1=O ZINC000516053634 448373438 /nfs/dbraw/zinc/37/34/38/448373438.db2.gz HJSCKEZYAMUWEU-KBPBESRZSA-N 1 2 342.428 1.654 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](n3ccnn3)C2)C1=O ZINC000516053634 448373444 /nfs/dbraw/zinc/37/34/44/448373444.db2.gz HJSCKEZYAMUWEU-KBPBESRZSA-N 1 2 342.428 1.654 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000566443335 448472033 /nfs/dbraw/zinc/47/20/33/448472033.db2.gz ZPZBSJUPEVIIND-YJBOKZPZSA-N 1 2 337.427 1.825 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000566443335 448472028 /nfs/dbraw/zinc/47/20/28/448472028.db2.gz ZPZBSJUPEVIIND-YJBOKZPZSA-N 1 2 337.427 1.825 20 30 EDEDLO COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C2=O)c1 ZINC000583969485 448467082 /nfs/dbraw/zinc/46/70/82/448467082.db2.gz RADZZEZNOZTBQJ-DYVFJYSZSA-N 1 2 342.399 1.842 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Nc2ccccn2)CC1)C1CC1 ZINC000535577057 448496118 /nfs/dbraw/zinc/49/61/18/448496118.db2.gz ZAMSFOJGVYNLTO-SFHVURJKSA-N 1 2 327.432 1.766 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146482 448705119 /nfs/dbraw/zinc/70/51/19/448705119.db2.gz IIQKZFHDNBGXPK-BDJLRTHQSA-N 1 2 339.342 1.965 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146482 448705122 /nfs/dbraw/zinc/70/51/22/448705122.db2.gz IIQKZFHDNBGXPK-BDJLRTHQSA-N 1 2 339.342 1.965 20 30 EDEDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149136 448709132 /nfs/dbraw/zinc/70/91/32/448709132.db2.gz JHZZBWJMBPWZFL-INIZCTEOSA-N 1 2 337.807 1.946 20 30 EDEDLO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149136 448709136 /nfs/dbraw/zinc/70/91/36/448709136.db2.gz JHZZBWJMBPWZFL-INIZCTEOSA-N 1 2 337.807 1.946 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)c1C ZINC000592201996 448739586 /nfs/dbraw/zinc/73/95/86/448739586.db2.gz OOICWFRONSKZJM-LSDHHAIUSA-N 1 2 334.416 1.329 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)c1C ZINC000592201996 448739589 /nfs/dbraw/zinc/73/95/89/448739589.db2.gz OOICWFRONSKZJM-LSDHHAIUSA-N 1 2 334.416 1.329 20 30 EDEDLO N#CCC1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000543810335 448749222 /nfs/dbraw/zinc/74/92/22/448749222.db2.gz IRUIRZZAWBWLFV-UHFFFAOYSA-N 1 2 346.343 1.888 20 30 EDEDLO COCc1ccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1C#N ZINC000529215411 448793547 /nfs/dbraw/zinc/79/35/47/448793547.db2.gz ZJWNGGNEXGKJMO-UHFFFAOYSA-N 1 2 346.431 1.937 20 30 EDEDLO COCc1ccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1C#N ZINC000529215411 448793552 /nfs/dbraw/zinc/79/35/52/448793552.db2.gz ZJWNGGNEXGKJMO-UHFFFAOYSA-N 1 2 346.431 1.937 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000587056527 448833869 /nfs/dbraw/zinc/83/38/69/448833869.db2.gz HPYJMFPVAIISJL-MAUKXSAKSA-N 1 2 335.411 1.855 20 30 EDEDLO N#Cc1cnc(NCC2([NH+]3CCOCC3)CCOCC2)c(Cl)c1 ZINC000579930295 448912159 /nfs/dbraw/zinc/91/21/59/448912159.db2.gz MYDXDNWTSGVBIT-UHFFFAOYSA-N 1 2 336.823 1.900 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000568822882 448922686 /nfs/dbraw/zinc/92/26/86/448922686.db2.gz DSUSEOIAHXCLFI-YVEFUNNKSA-N 1 2 332.379 1.139 20 30 EDEDLO N#CCCCS(=O)(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000520392531 448890621 /nfs/dbraw/zinc/89/06/21/448890621.db2.gz BSSOKKLSLHMBAB-UHFFFAOYSA-N 1 2 336.461 1.032 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNCc1nc(-c2ccc(Cl)cc2)no1 ZINC000520397269 448891002 /nfs/dbraw/zinc/89/10/02/448891002.db2.gz AAEURWHTMSHRAY-CQSZACIVSA-N 1 2 349.822 1.686 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNCc1nc(-c2ccc(Cl)cc2)no1 ZINC000520397269 448891008 /nfs/dbraw/zinc/89/10/08/448891008.db2.gz AAEURWHTMSHRAY-CQSZACIVSA-N 1 2 349.822 1.686 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000569426823 449023088 /nfs/dbraw/zinc/02/30/88/449023088.db2.gz HTDFNXPUWVTFCS-INIZCTEOSA-N 1 2 328.478 1.312 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000569426823 449023091 /nfs/dbraw/zinc/02/30/91/449023091.db2.gz HTDFNXPUWVTFCS-INIZCTEOSA-N 1 2 328.478 1.312 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)CSCc2ccc(C#N)cc2)CCO1 ZINC000522268671 449072566 /nfs/dbraw/zinc/07/25/66/449072566.db2.gz OUHGDIDVDIRNDW-AWEZNQCLSA-N 1 2 333.457 1.628 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)CSCc2ccc(C#N)cc2)CCO1 ZINC000522268671 449072572 /nfs/dbraw/zinc/07/25/72/449072572.db2.gz OUHGDIDVDIRNDW-AWEZNQCLSA-N 1 2 333.457 1.628 20 30 EDEDLO N#Cc1ccc(=O)n(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000575138861 449046997 /nfs/dbraw/zinc/04/69/97/449046997.db2.gz OVVBKFVCQQAVNC-UHFFFAOYSA-N 1 2 342.424 1.126 20 30 EDEDLO Cc1ccc(CN2C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC2=O)cc1 ZINC000589827850 449065294 /nfs/dbraw/zinc/06/52/94/449065294.db2.gz RWAOIOCXQCMHFK-LPHOPBHVSA-N 1 2 342.443 1.304 20 30 EDEDLO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](Cc1nc(C#N)cs1)C2 ZINC000595719967 449130595 /nfs/dbraw/zinc/13/05/95/449130595.db2.gz FVDVQEMCJVBNPK-BDJLRTHQSA-N 1 2 335.429 1.805 20 30 EDEDLO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@@H+](Cc1nc(C#N)cs1)C2 ZINC000595719967 449130598 /nfs/dbraw/zinc/13/05/98/449130598.db2.gz FVDVQEMCJVBNPK-BDJLRTHQSA-N 1 2 335.429 1.805 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595727317 449133368 /nfs/dbraw/zinc/13/33/68/449133368.db2.gz APQASOBLQGLDPL-ZOBUZTSGSA-N 1 2 327.384 1.373 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595727317 449133372 /nfs/dbraw/zinc/13/33/72/449133372.db2.gz APQASOBLQGLDPL-ZOBUZTSGSA-N 1 2 327.384 1.373 20 30 EDEDLO Cn1c[nH+]cc1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593598708 449098997 /nfs/dbraw/zinc/09/89/97/449098997.db2.gz NDANPYTWMRGLBC-UHFFFAOYSA-N 1 2 347.216 1.956 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CC)c1nnc2n1CCCCC2 ZINC000595805377 449177066 /nfs/dbraw/zinc/17/70/66/449177066.db2.gz QBZYUNOPXYNAAJ-OLZOCXBDSA-N 1 2 348.451 1.446 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccccc1-n1ncc(C#N)c1N ZINC000590544088 449183337 /nfs/dbraw/zinc/18/33/37/449183337.db2.gz QCPJXGSWDSCKHY-UHFFFAOYSA-N 1 2 335.371 1.631 20 30 EDEDLO Cn1cccc1C(=O)N1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000611253358 449238568 /nfs/dbraw/zinc/23/85/68/449238568.db2.gz ARTOJARTOJRYLR-UHFFFAOYSA-N 1 2 348.410 1.502 20 30 EDEDLO CN(CCC#N)C(=O)CC[NH2+]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000595896553 449239151 /nfs/dbraw/zinc/23/91/51/449239151.db2.gz FWOYRWBTEJBSFD-UHFFFAOYSA-N 1 2 339.436 1.229 20 30 EDEDLO C[C@]1(C(F)F)C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000595915077 449250292 /nfs/dbraw/zinc/25/02/92/449250292.db2.gz HKDZDOXMCWERSA-RHSMWYFYSA-N 1 2 340.370 1.848 20 30 EDEDLO C[C@]1(C(F)F)C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000595915077 449250295 /nfs/dbraw/zinc/25/02/95/449250295.db2.gz HKDZDOXMCWERSA-RHSMWYFYSA-N 1 2 340.370 1.848 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2[C@@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)nn1 ZINC000593986157 449313524 /nfs/dbraw/zinc/31/35/24/449313524.db2.gz XVNDJWIRCUDLOB-DMRZNYOFSA-N 1 2 334.420 1.538 20 30 EDEDLO C=CCCn1cc(C[N@H+]2[C@@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)nn1 ZINC000593986157 449313527 /nfs/dbraw/zinc/31/35/27/449313527.db2.gz XVNDJWIRCUDLOB-DMRZNYOFSA-N 1 2 334.420 1.538 20 30 EDEDLO N#Cc1c(F)cccc1-n1ccc(NC(=O)CCCn2cc[nH+]c2)n1 ZINC000611572593 449342630 /nfs/dbraw/zinc/34/26/30/449342630.db2.gz MVSGODOFLASPJP-UHFFFAOYSA-N 1 2 338.346 2.498 20 30 EDEDLO N#Cc1sccc1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000593556703 449346892 /nfs/dbraw/zinc/34/68/92/449346892.db2.gz MMFPSOKVPBJZJL-UHFFFAOYSA-N 1 2 341.458 1.105 20 30 EDEDLO CNc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1F ZINC000602087825 449335192 /nfs/dbraw/zinc/33/51/92/449335192.db2.gz ZWNUZKYYIPBMJT-UHFFFAOYSA-N 1 2 334.395 1.555 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000611794856 449423968 /nfs/dbraw/zinc/42/39/68/449423968.db2.gz KSXWBBCUTICMGT-MRXNPFEDSA-N 1 2 328.416 1.772 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000594282404 449428222 /nfs/dbraw/zinc/42/82/22/449428222.db2.gz YWTOLCDGKDFQPH-CYBMUJFWSA-N 1 2 338.415 1.640 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000594282404 449428230 /nfs/dbraw/zinc/42/82/30/449428230.db2.gz YWTOLCDGKDFQPH-CYBMUJFWSA-N 1 2 338.415 1.640 20 30 EDEDLO N#CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCCC1 ZINC000600680235 449488143 /nfs/dbraw/zinc/48/81/43/449488143.db2.gz FBCGACGJYMXIKC-MRXNPFEDSA-N 1 2 328.416 1.483 20 30 EDEDLO N#CC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCC1 ZINC000600680235 449488148 /nfs/dbraw/zinc/48/81/48/449488148.db2.gz FBCGACGJYMXIKC-MRXNPFEDSA-N 1 2 328.416 1.483 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)cc1 ZINC000600680194 449488310 /nfs/dbraw/zinc/48/83/10/449488310.db2.gz DXNUCZRJSOSOLY-GOSISDBHSA-N 1 2 336.395 1.584 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)cc1 ZINC000600680194 449488314 /nfs/dbraw/zinc/48/83/14/449488314.db2.gz DXNUCZRJSOSOLY-GOSISDBHSA-N 1 2 336.395 1.584 20 30 EDEDLO N#Cc1ccc2c(c1)CN(C(=O)C[NH+]1CCN(c3ccccn3)CC1)C2 ZINC000594403859 449496806 /nfs/dbraw/zinc/49/68/06/449496806.db2.gz AIKDBGRMBOQGAL-UHFFFAOYSA-N 1 2 347.422 1.618 20 30 EDEDLO CC1(C)CC[C@@H](CO)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000598650461 449519341 /nfs/dbraw/zinc/51/93/41/449519341.db2.gz YHVUEGXJYRCJMM-AWEZNQCLSA-N 1 2 337.445 1.210 20 30 EDEDLO CC1(C)CC[C@@H](CO)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000598650461 449519346 /nfs/dbraw/zinc/51/93/46/449519346.db2.gz YHVUEGXJYRCJMM-AWEZNQCLSA-N 1 2 337.445 1.210 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1ccc(C#N)cc1 ZINC000596676314 449601702 /nfs/dbraw/zinc/60/17/02/449601702.db2.gz YOYXCTWMBUDBSR-OAHLLOKOSA-N 1 2 330.432 1.463 20 30 EDEDLO CC(C)[C@@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)[NH+]1CCOCC1 ZINC000596699122 449612761 /nfs/dbraw/zinc/61/27/61/449612761.db2.gz AMULMPKXJGDANX-MRXNPFEDSA-N 1 2 337.370 1.923 20 30 EDEDLO COC(=O)[C@H](NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1cccc(C#N)c1 ZINC000594710355 449639144 /nfs/dbraw/zinc/63/91/44/449639144.db2.gz IAXYIKNXZWBDQA-CKEIUWERSA-N 1 2 331.416 1.471 20 30 EDEDLO COC(=O)[C@H](NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1cccc(C#N)c1 ZINC000594710355 449639150 /nfs/dbraw/zinc/63/91/50/449639150.db2.gz IAXYIKNXZWBDQA-CKEIUWERSA-N 1 2 331.416 1.471 20 30 EDEDLO COC(=O)[C@H](NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1cccc(C#N)c1 ZINC000594710358 449639373 /nfs/dbraw/zinc/63/93/73/449639373.db2.gz IAXYIKNXZWBDQA-GRDNDAEWSA-N 1 2 331.416 1.471 20 30 EDEDLO COC(=O)[C@H](NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1cccc(C#N)c1 ZINC000594710358 449639378 /nfs/dbraw/zinc/63/93/78/449639378.db2.gz IAXYIKNXZWBDQA-GRDNDAEWSA-N 1 2 331.416 1.471 20 30 EDEDLO N#Cc1cccc(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000601246925 449773030 /nfs/dbraw/zinc/77/30/30/449773030.db2.gz TWGVKDZEBKGJSJ-UHFFFAOYSA-N 1 2 336.399 1.740 20 30 EDEDLO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccccc1CC#N ZINC000601349172 449861625 /nfs/dbraw/zinc/86/16/25/449861625.db2.gz IEHWUNGZDIQSKH-GOEBONIOSA-N 1 2 333.457 2.000 20 30 EDEDLO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccccc1CC#N ZINC000601349172 449861631 /nfs/dbraw/zinc/86/16/31/449861631.db2.gz IEHWUNGZDIQSKH-GOEBONIOSA-N 1 2 333.457 2.000 20 30 EDEDLO C[C@H]1C[NH+](CC(=O)NCc2cc(F)cc(F)c2)C[C@H](C)N1CC#N ZINC000602855556 449862810 /nfs/dbraw/zinc/86/28/10/449862810.db2.gz IBWXUAHEGVPKST-STQMWFEESA-N 1 2 336.386 1.499 20 30 EDEDLO COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856442 449864277 /nfs/dbraw/zinc/86/42/77/449864277.db2.gz JRMTZCKEWZYJBD-OWCLPIDISA-N 1 2 344.459 1.791 20 30 EDEDLO COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856442 449864281 /nfs/dbraw/zinc/86/42/81/449864281.db2.gz JRMTZCKEWZYJBD-OWCLPIDISA-N 1 2 344.459 1.791 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602863261 449873338 /nfs/dbraw/zinc/87/33/38/449873338.db2.gz PGJUIYRXQOINBO-JHJVBQTASA-N 1 2 335.839 1.980 20 30 EDEDLO C[C@H](CC#N)[NH2+]CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000602868303 449877685 /nfs/dbraw/zinc/87/76/85/449877685.db2.gz IZXSYRKNGDYZRA-CYBMUJFWSA-N 1 2 346.456 1.706 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000602842588 449850121 /nfs/dbraw/zinc/85/01/21/449850121.db2.gz WIZCWVPOGKVJQG-MRXNPFEDSA-N 1 2 325.416 1.229 20 30 EDEDLO COC(=O)[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000599372592 449926969 /nfs/dbraw/zinc/92/69/69/449926969.db2.gz XDTLKKUHDPCHCQ-HZPDHXFCSA-N 1 2 338.448 1.769 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599440468 449977571 /nfs/dbraw/zinc/97/75/71/449977571.db2.gz LLAXVHPAGYKIRK-OAHLLOKOSA-N 1 2 344.463 1.258 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000599440468 449977577 /nfs/dbraw/zinc/97/75/77/449977577.db2.gz LLAXVHPAGYKIRK-OAHLLOKOSA-N 1 2 344.463 1.258 20 30 EDEDLO Cn1cc(C[NH+]2CCN(Cc3cn4ccccc4c3C#N)CC2)cn1 ZINC000609261798 449994596 /nfs/dbraw/zinc/99/45/96/449994596.db2.gz VPOXRIYGSYZAMO-UHFFFAOYSA-N 1 2 334.427 1.862 20 30 EDEDLO C[C@H]1CN(CC[NH+]2CCN(c3ncccc3C#N)CC2)C[C@H](C)O1 ZINC000595289879 450005638 /nfs/dbraw/zinc/00/56/38/450005638.db2.gz WKAMZKVHBSPJBU-HOTGVXAUSA-N 1 2 329.448 1.184 20 30 EDEDLO CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000615223965 450007129 /nfs/dbraw/zinc/00/71/29/450007129.db2.gz JRZLTHRELJNWJN-UHFFFAOYSA-N 1 2 326.400 1.566 20 30 EDEDLO CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)NC1(C#N)CCC1)C2 ZINC000615223965 450007133 /nfs/dbraw/zinc/00/71/33/450007133.db2.gz JRZLTHRELJNWJN-UHFFFAOYSA-N 1 2 326.400 1.566 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609387281 450022578 /nfs/dbraw/zinc/02/25/78/450022578.db2.gz FTPSFRUZGWRNLY-MRXNPFEDSA-N 1 2 330.413 1.922 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N(C)Cc2ccccc2)CC1 ZINC000609485848 450036171 /nfs/dbraw/zinc/03/61/71/450036171.db2.gz YSDHIFAPCPEWKT-GOSISDBHSA-N 1 2 328.460 1.811 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2)CC1 ZINC000609487201 450037276 /nfs/dbraw/zinc/03/72/76/450037276.db2.gz YIUCPWRCHJLEIF-WMZOPIPTSA-N 1 2 328.460 1.857 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CCC1 ZINC000601521526 450043356 /nfs/dbraw/zinc/04/33/56/450043356.db2.gz MTXHUGFVPRVYSP-UHFFFAOYSA-N 1 2 349.456 1.533 20 30 EDEDLO C[C@@H]1CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C[C@H](C)N1CC#N ZINC000603088153 450058491 /nfs/dbraw/zinc/05/84/91/450058491.db2.gz CIFUUIRTRJESJV-FRRDWIJNSA-N 1 2 343.353 1.821 20 30 EDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000613164284 450060230 /nfs/dbraw/zinc/06/02/30/450060230.db2.gz XCMXBARHYPTCRB-UHFFFAOYSA-N 1 2 348.370 1.692 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCC23CCC[NH+]2CCC3)cc1C#N ZINC000597586332 450129267 /nfs/dbraw/zinc/12/92/67/450129267.db2.gz AFEXQXPKQMLULN-UHFFFAOYSA-N 1 2 332.429 1.739 20 30 EDEDLO N#Cc1ccc(OCCn2cc(C[NH+]3CCSCC3)nn2)cc1 ZINC000603178347 450116713 /nfs/dbraw/zinc/11/67/13/450116713.db2.gz SRWCZGPXBVUDEC-UHFFFAOYSA-N 1 2 329.429 1.778 20 30 EDEDLO Cc1cccc2[nH+]c(CCNC(=O)N3CCN(CCC#N)CC3)cn21 ZINC000601627678 450123411 /nfs/dbraw/zinc/12/34/11/450123411.db2.gz WFJYILMKVSXRLO-UHFFFAOYSA-N 1 2 340.431 1.426 20 30 EDEDLO N#CC[C@@H]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000595441806 450144926 /nfs/dbraw/zinc/14/49/26/450144926.db2.gz ZXAWWQMPQJFEBW-HNNXBMFYSA-N 1 2 343.431 1.753 20 30 EDEDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000601736814 450201989 /nfs/dbraw/zinc/20/19/89/450201989.db2.gz RQQRYJSMXBAHDR-MRXNPFEDSA-N 1 2 331.416 1.505 20 30 EDEDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000601736814 450201994 /nfs/dbraw/zinc/20/19/94/450201994.db2.gz RQQRYJSMXBAHDR-MRXNPFEDSA-N 1 2 331.416 1.505 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000610349590 450197457 /nfs/dbraw/zinc/19/74/57/450197457.db2.gz IJDQMLXZIBWKMY-UHFFFAOYSA-N 1 2 327.388 1.913 20 30 EDEDLO N#CCC(=O)N1CC[NH+](CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000595512081 450197502 /nfs/dbraw/zinc/19/75/02/450197502.db2.gz MJKKPSIEDYXRBD-UHFFFAOYSA-N 1 2 337.326 1.608 20 30 EDEDLO Cc1nnc([C@@H](C)[NH2+]CC#CCN2C(=O)c3ccccc3C2=O)s1 ZINC000625324529 450291864 /nfs/dbraw/zinc/29/18/64/450291864.db2.gz RVDKHYNLFREKFO-LLVKDONJSA-N 1 2 340.408 1.797 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618798357 450304895 /nfs/dbraw/zinc/30/48/95/450304895.db2.gz VWCCZHXGAQKZPC-CXAGYDPISA-N 1 2 328.416 1.565 20 30 EDEDLO N#C[C@@]1(F)CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000619681702 450306679 /nfs/dbraw/zinc/30/66/79/450306679.db2.gz HRNSARLOKMSFNC-HNNXBMFYSA-N 1 2 334.376 1.558 20 30 EDEDLO N#Cc1cc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)ccn1 ZINC000619724170 450320207 /nfs/dbraw/zinc/32/02/07/450320207.db2.gz VUYRXDFUPZMEMP-UHFFFAOYSA-N 1 2 334.445 1.343 20 30 EDEDLO CC1(C)C[N@H+](CCNS(=O)(=O)c2cccc(CC#N)c2)CCO1 ZINC000619498515 450492478 /nfs/dbraw/zinc/49/24/78/450492478.db2.gz RZLVNBAFDJPQCG-UHFFFAOYSA-N 1 2 337.445 1.142 20 30 EDEDLO CC1(C)C[N@@H+](CCNS(=O)(=O)c2cccc(CC#N)c2)CCO1 ZINC000619498515 450492481 /nfs/dbraw/zinc/49/24/81/450492481.db2.gz RZLVNBAFDJPQCG-UHFFFAOYSA-N 1 2 337.445 1.142 20 30 EDEDLO CN(C)c1ccc(CNS(=O)(=O)c2ccccc2CC#N)c[nH+]1 ZINC000619572398 450508848 /nfs/dbraw/zinc/50/88/48/450508848.db2.gz AURFJTMZXBQAAZ-UHFFFAOYSA-N 1 2 330.413 1.692 20 30 EDEDLO C=CCCCN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624936130 451069143 /nfs/dbraw/zinc/06/91/43/451069143.db2.gz LHVONXRCFWDPHE-KRWDZBQOSA-N 1 2 332.448 1.890 20 30 EDEDLO C=CCCCN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624936130 451069145 /nfs/dbraw/zinc/06/91/45/451069145.db2.gz LHVONXRCFWDPHE-KRWDZBQOSA-N 1 2 332.448 1.890 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000636787225 451508326 /nfs/dbraw/zinc/50/83/26/451508326.db2.gz MYMVGYXKKIXKKE-AWEZNQCLSA-N 1 2 330.432 1.495 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N2CCc3ccccc3C2)nn1 ZINC000640835664 451621703 /nfs/dbraw/zinc/62/17/03/451621703.db2.gz KDRGQLWGUOQNJW-OAHLLOKOSA-N 1 2 337.427 1.537 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2ccc(C)cc2C)nn1 ZINC000641206998 451781791 /nfs/dbraw/zinc/78/17/91/451781791.db2.gz GGJQNQMQZRWTOE-QGZVFWFLSA-N 1 2 328.416 1.448 20 30 EDEDLO C=CC(C)(C)CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000637325154 451789542 /nfs/dbraw/zinc/78/95/42/451789542.db2.gz QCQYQPXGZPZBKU-GOSISDBHSA-N 1 2 339.480 1.504 20 30 EDEDLO C=CC(C)(C)CCNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000637325154 451789545 /nfs/dbraw/zinc/78/95/45/451789545.db2.gz QCQYQPXGZPZBKU-GOSISDBHSA-N 1 2 339.480 1.504 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000649188723 451894670 /nfs/dbraw/zinc/89/46/70/451894670.db2.gz QIRHRZQTMSVCQK-DLBZAZTESA-N 1 2 332.469 1.667 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC#CCO)C[C@H](C)O1 ZINC000639567828 451949463 /nfs/dbraw/zinc/94/94/63/451949463.db2.gz PPXYNBJRZLXQPO-GASCZTMLSA-N 1 2 331.416 1.413 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC#CCO)C[C@H](C)O1 ZINC000639567828 451949468 /nfs/dbraw/zinc/94/94/68/451949468.db2.gz PPXYNBJRZLXQPO-GASCZTMLSA-N 1 2 331.416 1.413 20 30 EDEDLO C=CCCn1cc(C[NH+]2CCC(N(C)S(=O)(=O)CC)CC2)nn1 ZINC000653579688 452025415 /nfs/dbraw/zinc/02/54/15/452025415.db2.gz HVBWPGRYQPTTAU-UHFFFAOYSA-N 1 2 341.481 1.100 20 30 EDEDLO C=CC[N@@H+](CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661755217 452554366 /nfs/dbraw/zinc/55/43/66/452554366.db2.gz JIIAROAUZRDWAI-OAHLLOKOSA-N 1 2 344.521 1.945 20 30 EDEDLO C=CC[N@H+](CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)C(C)(C)C ZINC000661755217 452554373 /nfs/dbraw/zinc/55/43/73/452554373.db2.gz JIIAROAUZRDWAI-OAHLLOKOSA-N 1 2 344.521 1.945 20 30 EDEDLO C=CCCCS(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000660037045 452946790 /nfs/dbraw/zinc/94/67/90/452946790.db2.gz ZXZSIUNTVLITCV-HUUCEWRRSA-N 1 2 328.478 1.515 20 30 EDEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000660105115 453027629 /nfs/dbraw/zinc/02/76/29/453027629.db2.gz WBXKABZTLANAGK-LBPRGKRZSA-N 1 2 348.428 1.375 20 30 EDEDLO C=CCOCCCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000660388052 453263771 /nfs/dbraw/zinc/26/37/71/453263771.db2.gz JFKJMFQEKMXUTO-OAHLLOKOSA-N 1 2 348.447 1.699 20 30 EDEDLO C=CCCn1cc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nn1 ZINC000657292409 453758360 /nfs/dbraw/zinc/75/83/60/453758360.db2.gz JZYRPFDHRQFMPG-LJQANCHMSA-N 1 2 341.459 1.845 20 30 EDEDLO C=CCCn1cc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000657292409 453758364 /nfs/dbraw/zinc/75/83/64/453758364.db2.gz JZYRPFDHRQFMPG-LJQANCHMSA-N 1 2 341.459 1.845 20 30 EDEDLO CCC#C[C@H](C)[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000677047630 486964273 /nfs/dbraw/zinc/96/42/73/486964273.db2.gz DIIBHJMLDHQOHH-KRWDZBQOSA-N 1 2 325.456 1.995 20 30 EDEDLO C=CCOCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000679481080 487430673 /nfs/dbraw/zinc/43/06/73/487430673.db2.gz ZIOPVHIPHMVDBY-QGZVFWFLSA-N 1 2 333.432 1.562 20 30 EDEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000668505288 485817039 /nfs/dbraw/zinc/81/70/39/485817039.db2.gz ZZHYJKLRZRPLNA-OAGGEKHMSA-N 1 2 337.464 1.074 20 30 EDEDLO C#CC[C@@H]([NH2+]Cc1nnnn1CC1CCOCC1)c1ccccc1 ZINC000278948393 486002924 /nfs/dbraw/zinc/00/29/24/486002924.db2.gz YQGTUIPJRYLQLI-QGZVFWFLSA-N 1 2 325.416 1.954 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000491767158 486588807 /nfs/dbraw/zinc/58/88/07/486588807.db2.gz HYFTZXGSYHTZKX-QAPCUYQASA-N 1 2 329.448 1.781 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n1 ZINC000491767158 486588810 /nfs/dbraw/zinc/58/88/10/486588810.db2.gz HYFTZXGSYHTZKX-QAPCUYQASA-N 1 2 329.448 1.781 20 30 EDEDLO Cc1cc(NC(=O)CO[NH+]=C(N)CCO)ccc1Br ZINC000136074053 533945110 /nfs/dbraw/zinc/94/51/10/533945110.db2.gz QRRWEQCMZAKBHP-UHFFFAOYSA-N 1 2 330.182 1.367 20 30 EDEDLO C=CC[N@@H+](Cc1cnc2c(c1)c(C)nn2C)[C@H]1CCS(=O)(=O)C1 ZINC000108871397 526381430 /nfs/dbraw/zinc/38/14/30/526381430.db2.gz JQKDTBMGMYRABL-AWEZNQCLSA-N 1 2 334.445 1.452 20 30 EDEDLO C=CC[N@H+](Cc1cnc2c(c1)c(C)nn2C)[C@H]1CCS(=O)(=O)C1 ZINC000108871397 526381434 /nfs/dbraw/zinc/38/14/34/526381434.db2.gz JQKDTBMGMYRABL-AWEZNQCLSA-N 1 2 334.445 1.452 20 30 EDEDLO C=CC[NH+]1CCC(NC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)CC1 ZINC000171566160 526448440 /nfs/dbraw/zinc/44/84/40/526448440.db2.gz FBKSDAQILFJKQN-UHFFFAOYSA-N 1 2 344.440 1.592 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554430 526600851 /nfs/dbraw/zinc/60/08/51/526600851.db2.gz OWPKBILOTWTYKH-CQSZACIVSA-N 1 2 341.415 1.081 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153434383 526608787 /nfs/dbraw/zinc/60/87/87/526608787.db2.gz RVWSQZDXNJOKHE-RYUDHWBXSA-N 1 2 332.395 1.048 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153434383 526608792 /nfs/dbraw/zinc/60/87/92/526608792.db2.gz RVWSQZDXNJOKHE-RYUDHWBXSA-N 1 2 332.395 1.048 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CCOc2cccc(OC)c2)CC1 ZINC000164546915 526634523 /nfs/dbraw/zinc/63/45/23/526634523.db2.gz RLBYPBRCCVNMTK-INIZCTEOSA-N 1 2 347.459 1.382 20 30 EDEDLO C=C(C)COc1cc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)ccc1OC ZINC000091865649 526659136 /nfs/dbraw/zinc/65/91/36/526659136.db2.gz ROJMXVWLLVRVCQ-OAHLLOKOSA-N 1 2 331.416 1.860 20 30 EDEDLO C=C(C)COc1cc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)ccc1OC ZINC000091865649 526659140 /nfs/dbraw/zinc/65/91/40/526659140.db2.gz ROJMXVWLLVRVCQ-OAHLLOKOSA-N 1 2 331.416 1.860 20 30 EDEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)NCCOC)CC2)c1 ZINC000171926370 526900755 /nfs/dbraw/zinc/90/07/55/526900755.db2.gz MUMCDHYHZCDVPR-UHFFFAOYSA-N 1 2 347.459 1.132 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(C(=O)NCC)CC1 ZINC000176706853 527261948 /nfs/dbraw/zinc/26/19/48/527261948.db2.gz DXVARKWFKDGKNZ-KRWDZBQOSA-N 1 2 347.459 1.502 20 30 EDEDLO CC1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)c[nH+]2)CC1 ZINC000106330883 528264458 /nfs/dbraw/zinc/26/44/58/528264458.db2.gz VEIKKHOYFOPUBW-INIZCTEOSA-N 1 2 343.431 1.752 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000171751133 528379590 /nfs/dbraw/zinc/37/95/90/528379590.db2.gz OIYIVWRLFMCUHC-AWEZNQCLSA-N 1 2 345.447 1.714 20 30 EDEDLO CCOc1ccc(O)c(/C=[NH+]/C[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000133098595 528556998 /nfs/dbraw/zinc/55/69/98/528556998.db2.gz GJEVHOCVIJPPGK-HMHNVIDESA-N 1 2 326.418 1.491 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554315 528622172 /nfs/dbraw/zinc/62/21/72/528622172.db2.gz LKBBOJBOEGDWSQ-INIZCTEOSA-N 1 2 339.443 1.688 20 30 EDEDLO CCN1CCN(S(=O)(=O)c2cccc(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332266562 535725549 /nfs/dbraw/zinc/72/55/49/535725549.db2.gz FVBUIDLIKGRURO-HNNXBMFYSA-N 1 2 345.428 1.349 20 30 EDEDLO C#CCC[NH+]1CCC(NC(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)CC1 ZINC000740748519 579384251 /nfs/dbraw/zinc/38/42/51/579384251.db2.gz MTNLLMCWMAGWCY-UHFFFAOYSA-N 1 2 338.411 1.861 20 30 EDEDLO C#CCC[NH+]1CCC(NC(=O)c2c[nH]c3nc(C)ccc3c2=O)CC1 ZINC000740748519 579384253 /nfs/dbraw/zinc/38/42/53/579384253.db2.gz MTNLLMCWMAGWCY-UHFFFAOYSA-N 1 2 338.411 1.861 20 30 EDEDLO CC(=[NH+]NCCS(C)(=O)=O)c1c(F)cccc1N1CCOCC1 ZINC000741164234 579400080 /nfs/dbraw/zinc/40/00/80/579400080.db2.gz COCGYCWEEFKOMO-UHFFFAOYSA-N 1 2 343.424 1.021 20 30 EDEDLO C=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)OCC ZINC000741384720 579414065 /nfs/dbraw/zinc/41/40/65/579414065.db2.gz QSMUSCVMMAJVCD-MRXNPFEDSA-N 1 2 333.384 1.550 20 30 EDEDLO C=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)OCC ZINC000741384720 579414066 /nfs/dbraw/zinc/41/40/66/579414066.db2.gz QSMUSCVMMAJVCD-MRXNPFEDSA-N 1 2 333.384 1.550 20 30 EDEDLO Cc1noc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000742357250 579449690 /nfs/dbraw/zinc/44/96/90/579449690.db2.gz SJENECPDBOPBBK-UHFFFAOYSA-N 1 2 331.376 1.047 20 30 EDEDLO COC1CC[NH+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000725768575 578280764 /nfs/dbraw/zinc/28/07/64/578280764.db2.gz MGPNUKSFVJENSV-GOSISDBHSA-N 1 2 342.399 1.394 20 30 EDEDLO CC[N@H+](CCOC)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000725770408 578280858 /nfs/dbraw/zinc/28/08/58/578280858.db2.gz ZJRHMUOGDCAPRJ-QGZVFWFLSA-N 1 2 330.388 1.251 20 30 EDEDLO CC[N@@H+](CCOC)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000725770408 578280859 /nfs/dbraw/zinc/28/08/59/578280859.db2.gz ZJRHMUOGDCAPRJ-QGZVFWFLSA-N 1 2 330.388 1.251 20 30 EDEDLO COCCOC1CC[NH+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1 ZINC000739913657 578369595 /nfs/dbraw/zinc/36/95/95/578369595.db2.gz DDUVUOZCLBACJI-QGZVFWFLSA-N 1 2 332.400 1.900 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000729922113 578600261 /nfs/dbraw/zinc/60/02/61/578600261.db2.gz TYTHWMYZOLIGJJ-LJQANCHMSA-N 1 2 335.407 1.554 20 30 EDEDLO N#Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000737719967 578657412 /nfs/dbraw/zinc/65/74/12/578657412.db2.gz YXKGEPYRFPFZMY-HNNXBMFYSA-N 1 2 333.355 1.055 20 30 EDEDLO C#CCOc1cccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000731126027 578668527 /nfs/dbraw/zinc/66/85/27/578668527.db2.gz QDPLPFFJXKBNLH-UHFFFAOYSA-N 1 2 338.367 1.260 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cn1 ZINC000732165229 578695376 /nfs/dbraw/zinc/69/53/76/578695376.db2.gz JVSNASJFQZMFPY-FQEVSTJZSA-N 1 2 349.434 1.736 20 30 EDEDLO COC(=O)CCCc1nc(CO[NH+]=C(N)c2ccc(F)cc2)no1 ZINC000732193750 578696907 /nfs/dbraw/zinc/69/69/07/578696907.db2.gz ISYWYZOLTJFOFP-UHFFFAOYSA-N 1 2 336.323 1.542 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000732799979 578730094 /nfs/dbraw/zinc/73/00/94/578730094.db2.gz HUGYPBMNTJOZNK-ZDUSSCGKSA-N 1 2 328.372 1.616 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000732799979 578730095 /nfs/dbraw/zinc/73/00/95/578730095.db2.gz HUGYPBMNTJOZNK-ZDUSSCGKSA-N 1 2 328.372 1.616 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ccccc2F)CC1 ZINC000733149158 578744814 /nfs/dbraw/zinc/74/48/14/578744814.db2.gz ZSZXNSGKCHWXIT-HJWRWDBZSA-N 1 2 343.402 1.123 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ccccc2F)CC1 ZINC000733149158 578744815 /nfs/dbraw/zinc/74/48/15/578744815.db2.gz ZSZXNSGKCHWXIT-HJWRWDBZSA-N 1 2 343.402 1.123 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000739860218 579260888 /nfs/dbraw/zinc/26/08/88/579260888.db2.gz VJXBUIRRJODKBW-VXMWWYGOSA-N 1 2 343.456 1.924 20 30 EDEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000739860218 579260889 /nfs/dbraw/zinc/26/08/89/579260889.db2.gz VJXBUIRRJODKBW-VXMWWYGOSA-N 1 2 343.456 1.924 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000747022161 579623503 /nfs/dbraw/zinc/62/35/03/579623503.db2.gz DDIUCVZXNBBJLL-INIZCTEOSA-N 1 2 334.441 1.310 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CCS(C)(=O)=O)cc1 ZINC000747022161 579623505 /nfs/dbraw/zinc/62/35/05/579623505.db2.gz DDIUCVZXNBBJLL-INIZCTEOSA-N 1 2 334.441 1.310 20 30 EDEDLO C=C(C)CN(CC)C(=O)COC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000748470000 579688796 /nfs/dbraw/zinc/68/87/96/579688796.db2.gz NMHQZUKUTLHKRN-QGZVFWFLSA-N 1 2 340.464 1.747 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)CC(C)(C)C#N)C[C@H](C)O1 ZINC000777819451 580451311 /nfs/dbraw/zinc/45/13/11/580451311.db2.gz PZYSOUXRJOKYMR-ZNMIVQPWSA-N 1 2 343.493 1.440 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)CC(C)(C)C#N)C[C@H](C)O1 ZINC000777819451 580451312 /nfs/dbraw/zinc/45/13/12/580451312.db2.gz PZYSOUXRJOKYMR-ZNMIVQPWSA-N 1 2 343.493 1.440 20 30 EDEDLO COC[C@@H](C)N[NH+]=Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O ZINC000777892771 580452573 /nfs/dbraw/zinc/45/25/73/580452573.db2.gz CADDTYAFYZJLLL-LLVKDONJSA-N 1 2 337.383 1.919 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2(c3ccc(OC)c(OC)c3)CCC2)CC1 ZINC000754374496 579902133 /nfs/dbraw/zinc/90/21/33/579902133.db2.gz IARLFUZYOAPQFE-UHFFFAOYSA-N 1 2 342.439 1.903 20 30 EDEDLO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)O[C@H](C)C(=O)N(C)CCC#N ZINC000754505942 579904607 /nfs/dbraw/zinc/90/46/07/579904607.db2.gz PYXSIBYDEJDORN-UKRRQHHQSA-N 1 2 339.436 1.083 20 30 EDEDLO C#CCOCCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000755424632 579926777 /nfs/dbraw/zinc/92/67/77/579926777.db2.gz CJJYMQWILLIEON-GOSISDBHSA-N 1 2 330.428 1.524 20 30 EDEDLO COc1nc(N)nc(N2CCCC2)c1C=[NH+]Nc1cc(C)ccn1 ZINC000755902736 579937673 /nfs/dbraw/zinc/93/76/73/579937673.db2.gz NIHUAAJZIXRQAR-UHFFFAOYSA-N 1 2 327.392 1.817 20 30 EDEDLO CCN1c2ccccc2C(=NNc2ccc(-n3cc[nH+]c3)nn2)C1=O ZINC000761860538 580062754 /nfs/dbraw/zinc/06/27/54/580062754.db2.gz LMRBOWSALDGLRG-UHFFFAOYSA-N 1 2 333.355 1.845 20 30 EDEDLO N#Cc1cccnc1NCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000764790266 580128807 /nfs/dbraw/zinc/12/88/07/580128807.db2.gz IYPRSKUXSLEYGR-UHFFFAOYSA-N 1 2 325.376 1.104 20 30 EDEDLO N#Cc1cccnc1NCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000764790266 580128808 /nfs/dbraw/zinc/12/88/08/580128808.db2.gz IYPRSKUXSLEYGR-UHFFFAOYSA-N 1 2 325.376 1.104 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1nc([C@H](C)SCC)no1 ZINC000766789271 580173997 /nfs/dbraw/zinc/17/39/97/580173997.db2.gz HCTMPMZYHFGYKV-STQMWFEESA-N 1 2 336.461 1.940 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1nc([C@H](C)SCC)no1 ZINC000766789271 580173998 /nfs/dbraw/zinc/17/39/98/580173998.db2.gz HCTMPMZYHFGYKV-STQMWFEESA-N 1 2 336.461 1.940 20 30 EDEDLO N#CCCNC(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000767786290 580199514 /nfs/dbraw/zinc/19/95/14/580199514.db2.gz FOFTUQOIFQJRCT-UHFFFAOYSA-N 1 2 330.215 1.818 20 30 EDEDLO N#CCCNC(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000767786290 580199515 /nfs/dbraw/zinc/19/95/15/580199515.db2.gz FOFTUQOIFQJRCT-UHFFFAOYSA-N 1 2 330.215 1.818 20 30 EDEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000767800807 580200106 /nfs/dbraw/zinc/20/01/06/580200106.db2.gz CQRRHCZUXZKNBF-UHFFFAOYSA-N 1 2 333.304 1.949 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(C(=O)OC)cc2)CC1 ZINC000768693083 580218677 /nfs/dbraw/zinc/21/86/77/580218677.db2.gz MZZUULAPCFBVJF-UHFFFAOYSA-N 1 2 343.379 1.544 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000770666615 580267142 /nfs/dbraw/zinc/26/71/42/580267142.db2.gz RDYPHXILNLUGGR-LQZLSNDWSA-N 1 2 330.428 1.295 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000770666615 580267143 /nfs/dbraw/zinc/26/71/43/580267143.db2.gz RDYPHXILNLUGGR-LQZLSNDWSA-N 1 2 330.428 1.295 20 30 EDEDLO C#C[C@@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCO1 ZINC000775541104 580393283 /nfs/dbraw/zinc/39/32/83/580393283.db2.gz VXQJBCPFDPMYHQ-SJLPKXTDSA-N 1 2 343.427 1.821 20 30 EDEDLO C#C[C@H]([NH2+][C@@H](C)C(=O)N1CC(=O)Nc2ccccc21)[C@@H]1CCCO1 ZINC000775791876 580400705 /nfs/dbraw/zinc/40/07/05/580400705.db2.gz XKKRLJWKKXIDIH-XEZPLFJOSA-N 1 2 327.384 1.131 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000777006401 580432196 /nfs/dbraw/zinc/43/21/96/580432196.db2.gz JDDDAURRKARFNI-ZDUSSCGKSA-N 1 2 347.382 1.347 20 30 EDEDLO Cn1nc(Br)cc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000782284727 580570920 /nfs/dbraw/zinc/57/09/20/580570920.db2.gz IGQCFMGWAFULEV-UHFFFAOYSA-N 1 2 347.180 1.604 20 30 EDEDLO Cn1nc(Br)cc1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000782284727 580570921 /nfs/dbraw/zinc/57/09/21/580570921.db2.gz IGQCFMGWAFULEV-UHFFFAOYSA-N 1 2 347.180 1.604 20 30 EDEDLO C#CCCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000786461795 580671221 /nfs/dbraw/zinc/67/12/21/580671221.db2.gz FFFBONRKRUVQTA-UHFFFAOYSA-N 1 2 328.416 1.218 20 30 EDEDLO C#Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cn1 ZINC000790158660 580763645 /nfs/dbraw/zinc/76/36/45/580763645.db2.gz QFFCJHYRJAKMDW-UHFFFAOYSA-N 1 2 334.379 1.159 20 30 EDEDLO C#Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cn1 ZINC000790158660 580763646 /nfs/dbraw/zinc/76/36/46/580763646.db2.gz QFFCJHYRJAKMDW-UHFFFAOYSA-N 1 2 334.379 1.159 20 30 EDEDLO CN(CC[NH+]1CCOCC1)c1cc(Br)cnc1C#N ZINC000791407439 580791851 /nfs/dbraw/zinc/79/18/51/580791851.db2.gz JNVXVAGGEGHJGT-UHFFFAOYSA-N 1 2 325.210 1.484 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@@H]1C ZINC000793515267 580846719 /nfs/dbraw/zinc/84/67/19/580846719.db2.gz IQAVOTBPGHMMSG-TZMCWYRMSA-N 1 2 329.400 1.440 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@@H]1C ZINC000793515267 580846720 /nfs/dbraw/zinc/84/67/20/580846720.db2.gz IQAVOTBPGHMMSG-TZMCWYRMSA-N 1 2 329.400 1.440 20 30 EDEDLO CC1(C)SC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000793594542 580848643 /nfs/dbraw/zinc/84/86/43/580848643.db2.gz ZZQUSWZDEAYFFY-LBPRGKRZSA-N 1 2 346.412 1.838 20 30 EDEDLO CC1(C)SC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000793594542 580848644 /nfs/dbraw/zinc/84/86/44/580848644.db2.gz ZZQUSWZDEAYFFY-LBPRGKRZSA-N 1 2 346.412 1.838 20 30 EDEDLO C[C@@H](SCCO[C@@H](C)C#N)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000793963931 580862370 /nfs/dbraw/zinc/86/23/70/580862370.db2.gz CVCXGZGADKZAMB-LSDHHAIUSA-N 1 2 348.472 1.781 20 30 EDEDLO Cn1c[nH+]c(CN=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1 ZINC000794487097 580894267 /nfs/dbraw/zinc/89/42/67/580894267.db2.gz XDUBGSHCCBOSER-UHFFFAOYSA-N 1 2 348.432 1.436 20 30 EDEDLO C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795664960 580933345 /nfs/dbraw/zinc/93/33/45/580933345.db2.gz GNFOVCFTMDMGGX-GDBMZVCRSA-N 1 2 332.400 1.518 20 30 EDEDLO C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000795664960 580933346 /nfs/dbraw/zinc/93/33/46/580933346.db2.gz GNFOVCFTMDMGGX-GDBMZVCRSA-N 1 2 332.400 1.518 20 30 EDEDLO CC[C@H]1CC[C@H](C)CC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000797399936 580974545 /nfs/dbraw/zinc/97/45/45/580974545.db2.gz IXHOIDWKEFPORB-KBPBESRZSA-N 1 2 326.510 1.985 20 30 EDEDLO C=CCN1CC[C@@H](OC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C1=O ZINC000798623131 581003121 /nfs/dbraw/zinc/00/31/21/581003121.db2.gz AFMNYNGDEUZGFV-WMLDXEAASA-N 1 2 328.412 1.763 20 30 EDEDLO C=CCN1CC[C@@H](OC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C1=O ZINC000798623131 581003122 /nfs/dbraw/zinc/00/31/22/581003122.db2.gz AFMNYNGDEUZGFV-WMLDXEAASA-N 1 2 328.412 1.763 20 30 EDEDLO CCNc1nc(NCC)[nH+]c(NNC2=CC(=O)N3CCCC[C@@H]23)n1 ZINC000799469621 581028634 /nfs/dbraw/zinc/02/86/34/581028634.db2.gz WJQYFUMQJVUURC-NSHDSACASA-N 1 2 332.412 1.288 20 30 EDEDLO COc1ccc(C(=O)N2CC[NH+](CCO[C@H](C)C#N)CC2)c(OC)c1 ZINC000801913286 581087796 /nfs/dbraw/zinc/08/77/96/581087796.db2.gz SFBDBKBYWAPYGY-CQSZACIVSA-N 1 2 347.415 1.390 20 30 EDEDLO C[C@H](C#N)OCC[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000801940973 581088728 /nfs/dbraw/zinc/08/87/28/581088728.db2.gz VKHHSUVHYYQDBA-ZWNOBZJWSA-N 1 2 340.221 1.836 20 30 EDEDLO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000801940973 581088729 /nfs/dbraw/zinc/08/87/29/581088729.db2.gz VKHHSUVHYYQDBA-ZWNOBZJWSA-N 1 2 340.221 1.836 20 30 EDEDLO C#CCSCC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000893176995 590697640 /nfs/dbraw/zinc/69/76/40/590697640.db2.gz SAJBKEWUXIOBPE-KRWDZBQOSA-N 1 2 332.469 1.678 20 30 EDEDLO C#CCSCC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000893176995 590697643 /nfs/dbraw/zinc/69/76/43/590697643.db2.gz SAJBKEWUXIOBPE-KRWDZBQOSA-N 1 2 332.469 1.678 20 30 EDEDLO C=CCOc1ccc(OS(=O)(=O)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000866892288 590842772 /nfs/dbraw/zinc/84/27/72/590842772.db2.gz SEDIVGZOOQBWGS-OAHLLOKOSA-N 1 2 327.402 1.291 20 30 EDEDLO C=CCOc1ccc(OS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000866892288 590842775 /nfs/dbraw/zinc/84/27/75/590842775.db2.gz SEDIVGZOOQBWGS-OAHLLOKOSA-N 1 2 327.402 1.291 20 30 EDEDLO C=CC(C)(C)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892543925 591067103 /nfs/dbraw/zinc/06/71/03/591067103.db2.gz KWOIDBNUYCXMEU-UHFFFAOYSA-N 1 2 345.447 1.384 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3ncsc3c2)C1 ZINC000891605565 591146563 /nfs/dbraw/zinc/14/65/63/591146563.db2.gz GFYAVSLNEUIGBT-CYBMUJFWSA-N 1 2 342.424 1.449 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3ncsc3c2)C1 ZINC000891605565 591146567 /nfs/dbraw/zinc/14/65/67/591146567.db2.gz GFYAVSLNEUIGBT-CYBMUJFWSA-N 1 2 342.424 1.449 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2OC(C)C)C1 ZINC000891605928 591146925 /nfs/dbraw/zinc/14/69/25/591146925.db2.gz CDUNXKMZBGSXGM-AWEZNQCLSA-N 1 2 344.415 1.021 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccnc2OC(C)C)C1 ZINC000891605928 591146928 /nfs/dbraw/zinc/14/69/28/591146928.db2.gz CDUNXKMZBGSXGM-AWEZNQCLSA-N 1 2 344.415 1.021 20 30 EDEDLO C#C[C@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000891696281 591188541 /nfs/dbraw/zinc/18/85/41/591188541.db2.gz OQVLQLKJGBMTCJ-INIZCTEOSA-N 1 2 328.416 1.616 20 30 EDEDLO C[C@@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896531293 591487307 /nfs/dbraw/zinc/48/73/07/591487307.db2.gz PDLWOBVNOPRCCM-RHSMWYFYSA-N 1 2 328.460 1.586 20 30 EDEDLO C[C@@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000896531293 591487311 /nfs/dbraw/zinc/48/73/11/591487311.db2.gz PDLWOBVNOPRCCM-RHSMWYFYSA-N 1 2 328.460 1.586 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000896623391 591556940 /nfs/dbraw/zinc/55/69/40/591556940.db2.gz DMPMPBPYYYCPNB-INIZCTEOSA-N 1 2 335.448 1.410 20 30 EDEDLO Cc1ccc(-c2nn(C)cc2C[NH+]2CCN(C(=O)CC#N)CC2)o1 ZINC000895066408 591561018 /nfs/dbraw/zinc/56/10/18/591561018.db2.gz KLBHWDNUXYYQDG-UHFFFAOYSA-N 1 2 327.388 1.546 20 30 EDEDLO O=C1C=COC2(CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000896880703 591645331 /nfs/dbraw/zinc/64/53/31/591645331.db2.gz LVCCGLLPLUIPHE-UHFFFAOYSA-N 1 2 330.388 1.155 20 30 EDEDLO O=C1C=COC2(CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000896880703 591645332 /nfs/dbraw/zinc/64/53/32/591645332.db2.gz LVCCGLLPLUIPHE-UHFFFAOYSA-N 1 2 330.388 1.155 20 30 EDEDLO N#Cc1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1Cl ZINC000899062259 591666398 /nfs/dbraw/zinc/66/63/98/591666398.db2.gz ODBKVNHGHHKGRD-UHFFFAOYSA-N 1 2 335.791 1.390 20 30 EDEDLO N#Cc1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1Cl ZINC000899062259 591666402 /nfs/dbraw/zinc/66/64/02/591666402.db2.gz ODBKVNHGHHKGRD-UHFFFAOYSA-N 1 2 335.791 1.390 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1ccc(O)c(C)c1 ZINC000728224911 591673875 /nfs/dbraw/zinc/67/38/75/591673875.db2.gz DNIPZKGYUGIMBR-UHFFFAOYSA-N 1 2 336.461 1.221 20 30 EDEDLO N#Cc1csc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)n1 ZINC000896930382 591686903 /nfs/dbraw/zinc/68/69/03/591686903.db2.gz NRGQATKTPRMQBL-GFCCVEGCSA-N 1 2 330.417 1.768 20 30 EDEDLO N#Cc1csc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)n1 ZINC000896930382 591686908 /nfs/dbraw/zinc/68/69/08/591686908.db2.gz NRGQATKTPRMQBL-GFCCVEGCSA-N 1 2 330.417 1.768 20 30 EDEDLO C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@H](C)N1CC#N ZINC000898132520 591794827 /nfs/dbraw/zinc/79/48/27/591794827.db2.gz JZKCQXDMGMEILF-KBPBESRZSA-N 1 2 339.399 1.636 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000899958583 591844189 /nfs/dbraw/zinc/84/41/89/591844189.db2.gz LQKDHGRRTKULRF-CMDGGOBGSA-N 1 2 330.428 1.961 20 30 EDEDLO CC1(C)C(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)[C@@H]1[C@@H]1CCCO1 ZINC000902607254 592024329 /nfs/dbraw/zinc/02/43/29/592024329.db2.gz HEOWGYPMFWNGIV-JKSUJKDBSA-N 1 2 348.443 1.698 20 30 EDEDLO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902609654 592025216 /nfs/dbraw/zinc/02/52/16/592025216.db2.gz RWMPEBPSDXAEEG-GASCZTMLSA-N 1 2 330.384 1.233 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2nnc(-c3ccc(F)cn3)o2)C1 ZINC000902968130 592088248 /nfs/dbraw/zinc/08/82/48/592088248.db2.gz XJWFJRGMFWAYAA-LBPRGKRZSA-N 1 2 329.335 1.098 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2nnc(-c3ccc(F)cn3)o2)C1 ZINC000902968130 592088249 /nfs/dbraw/zinc/08/82/49/592088249.db2.gz XJWFJRGMFWAYAA-LBPRGKRZSA-N 1 2 329.335 1.098 20 30 EDEDLO C/C(=C\C(=O)NC1(c2cccc(C#N)c2)CC1)C[NH+]1CCOCC1 ZINC000901168544 592274222 /nfs/dbraw/zinc/27/42/22/592274222.db2.gz GXNXAOREHWESAG-RVDMUPIBSA-N 1 2 325.412 1.942 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)CC1 ZINC000906784089 592332812 /nfs/dbraw/zinc/33/28/12/592332812.db2.gz VXNUJOVJGJPKKG-ZKFGBMLESA-N 1 2 337.489 1.229 20 30 EDEDLO COC(=O)C1C/C(=C\c2cncn2C)C(=O)/C(=C/c2c[nH+]cn2C)C1 ZINC000901500291 592376800 /nfs/dbraw/zinc/37/68/00/592376800.db2.gz QEPGLZOAPJXQCM-PWHKKFIBSA-N 1 2 340.383 1.773 20 30 EDEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N(C)[C@@H]1CC[C@H]1OC ZINC000909297218 592793800 /nfs/dbraw/zinc/79/38/00/592793800.db2.gz MXATUUKASADDCQ-JJXSEGSLSA-N 1 2 349.479 1.859 20 30 EDEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N(C)[C@@H]1CC[C@H]1OC ZINC000909297218 592793801 /nfs/dbraw/zinc/79/38/01/592793801.db2.gz MXATUUKASADDCQ-JJXSEGSLSA-N 1 2 349.479 1.859 20 30 EDEDLO C#CCN(C(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1)C1CCCCC1 ZINC000906438512 592817979 /nfs/dbraw/zinc/81/79/79/592817979.db2.gz FEUDLODGEKIKHS-HNNXBMFYSA-N 1 2 331.416 1.649 20 30 EDEDLO C#CCN(C(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1)C1CCCCC1 ZINC000906438512 592817981 /nfs/dbraw/zinc/81/79/81/592817981.db2.gz FEUDLODGEKIKHS-HNNXBMFYSA-N 1 2 331.416 1.649 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000907947715 592854201 /nfs/dbraw/zinc/85/42/01/592854201.db2.gz KFWQKNDVJWFLQI-ZQIUZPCESA-N 1 2 349.431 1.606 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000907947715 592854202 /nfs/dbraw/zinc/85/42/02/592854202.db2.gz KFWQKNDVJWFLQI-ZQIUZPCESA-N 1 2 349.431 1.606 20 30 EDEDLO CC[C@H](C(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911712171 592985851 /nfs/dbraw/zinc/98/58/51/592985851.db2.gz SWTPQVFCCNTOMJ-YYIAUSFCSA-N 1 2 336.480 1.321 20 30 EDEDLO CC[C@H](C(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911712171 592985853 /nfs/dbraw/zinc/98/58/53/592985853.db2.gz SWTPQVFCCNTOMJ-YYIAUSFCSA-N 1 2 336.480 1.321 20 30 EDEDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000736817519 593040587 /nfs/dbraw/zinc/04/05/87/593040587.db2.gz BQDCZRQQPDRWNX-MRXNPFEDSA-N 1 2 347.382 1.397 20 30 EDEDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000736817519 593040588 /nfs/dbraw/zinc/04/05/88/593040588.db2.gz BQDCZRQQPDRWNX-MRXNPFEDSA-N 1 2 347.382 1.397 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000807247139 593156556 /nfs/dbraw/zinc/15/65/56/593156556.db2.gz RSGYZARUVGOEHY-NEPJUHHUSA-N 1 2 333.392 1.218 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000807335750 593164510 /nfs/dbraw/zinc/16/45/10/593164510.db2.gz NADJBJQINMALHT-OAHLLOKOSA-N 1 2 337.379 1.780 20 30 EDEDLO C=CCONC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000838712824 593206398 /nfs/dbraw/zinc/20/63/98/593206398.db2.gz ZENZKLOARGNAFS-UHFFFAOYSA-N 1 2 335.404 1.649 20 30 EDEDLO N#Cc1ccc(N2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)cn1 ZINC000808062442 593218703 /nfs/dbraw/zinc/21/87/03/593218703.db2.gz MCIQGCPWMUZSJL-UHFFFAOYSA-N 1 2 331.383 1.805 20 30 EDEDLO N#Cc1cccc(-n2ccc(C(=O)O[C@@H]3CC[N@@H+](CCF)C3)n2)c1 ZINC000802238751 593237395 /nfs/dbraw/zinc/23/73/95/593237395.db2.gz HEZXRTRJMQPGFM-OAHLLOKOSA-N 1 2 328.347 1.945 20 30 EDEDLO N#Cc1cccc(-n2ccc(C(=O)O[C@@H]3CC[N@H+](CCF)C3)n2)c1 ZINC000802238751 593237396 /nfs/dbraw/zinc/23/73/96/593237396.db2.gz HEZXRTRJMQPGFM-OAHLLOKOSA-N 1 2 328.347 1.945 20 30 EDEDLO C=CCN(C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1)C(C)C ZINC000839247154 593279607 /nfs/dbraw/zinc/27/96/07/593279607.db2.gz CFKNBQWEGMLDMY-UHFFFAOYSA-N 1 2 335.473 1.815 20 30 EDEDLO COc1cc[nH+]cc1COC(=O)CCNC(=O)C1N=CC=CC1=O ZINC000805464000 593453292 /nfs/dbraw/zinc/45/32/92/593453292.db2.gz QRWIMOPAMLHKHO-FOCLMDBBSA-N 1 2 331.328 1.050 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2[nH]cnc2C(=O)c2ccccc2)CC1 ZINC000806592483 593458819 /nfs/dbraw/zinc/45/88/19/593458819.db2.gz BOXFFBMKAWXHAB-UHFFFAOYSA-N 1 2 336.395 1.422 20 30 EDEDLO Nc1nc(Cl)c(C=[NH+]NC[C@H]2CCSC2)c(N2CCCC2)n1 ZINC000811661176 593475914 /nfs/dbraw/zinc/47/59/14/593475914.db2.gz FUXWXPHNUOXOEK-SNVBAGLBSA-N 1 2 340.884 1.989 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2CC[C@@H](Cc3ccccc3)C2=O)C1=O ZINC000811770711 593480808 /nfs/dbraw/zinc/48/08/08/593480808.db2.gz GCHWBZHANPLPER-ZWKOTPCHSA-N 1 2 341.455 1.754 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2CC[C@@H](Cc3ccccc3)C2=O)C1=O ZINC000811770711 593480809 /nfs/dbraw/zinc/48/08/09/593480809.db2.gz GCHWBZHANPLPER-ZWKOTPCHSA-N 1 2 341.455 1.754 20 30 EDEDLO O=C(N[C@@H]1CCCN(O)C1=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000816757115 593548709 /nfs/dbraw/zinc/54/87/09/593548709.db2.gz LWTXSXBGUGFSKD-HUUCEWRRSA-N 1 2 349.456 1.273 20 30 EDEDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000817375684 593598649 /nfs/dbraw/zinc/59/86/49/593598649.db2.gz QTWJGQGOYKAOLP-UKRRQHHQSA-N 1 2 331.416 1.977 20 30 EDEDLO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000817375684 593598651 /nfs/dbraw/zinc/59/86/51/593598651.db2.gz QTWJGQGOYKAOLP-UKRRQHHQSA-N 1 2 331.416 1.977 20 30 EDEDLO CC[C@@H](C=NNC(=S)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000814716432 593601024 /nfs/dbraw/zinc/60/10/24/593601024.db2.gz CIRCSXHGECFOCI-HNNXBMFYSA-N 1 2 334.489 1.962 20 30 EDEDLO C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1c[nH]c2ccc(-c3nn[nH]n3)cc12 ZINC000823861235 593874373 /nfs/dbraw/zinc/87/43/73/593874373.db2.gz AJRDCMXHKKSSIS-HUUCEWRRSA-N 1 2 349.402 1.542 20 30 EDEDLO C#CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000824601424 594045843 /nfs/dbraw/zinc/04/58/43/594045843.db2.gz JLHHSPBGOWZNOQ-QGZVFWFLSA-N 1 2 328.437 1.864 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000824601424 594045845 /nfs/dbraw/zinc/04/58/45/594045845.db2.gz JLHHSPBGOWZNOQ-QGZVFWFLSA-N 1 2 328.437 1.864 20 30 EDEDLO C#CCN(CC(=O)N1CCC(n2cc[nH+]c2)CC1)C(=O)OC(C)(C)C ZINC000824855883 594084999 /nfs/dbraw/zinc/08/49/99/594084999.db2.gz RNRSLDLYGQEEFF-UHFFFAOYSA-N 1 2 346.431 1.917 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000823306658 594183044 /nfs/dbraw/zinc/18/30/44/594183044.db2.gz WCDORIFRKWQGIS-UHFFFAOYSA-N 1 2 336.819 1.677 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000831691833 594692986 /nfs/dbraw/zinc/69/29/86/594692986.db2.gz XLJQVPCNPXBYDZ-UHFFFAOYSA-N 1 2 343.383 1.724 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H](O)C2CCC2)CC1=O ZINC000840703847 594811547 /nfs/dbraw/zinc/81/15/47/594811547.db2.gz KCEVZKYYAGPZJS-OAHLLOKOSA-N 1 2 340.427 1.807 20 30 EDEDLO CC(C)N(C(=O)[C@H](C)ON=C(N)C[NH+]1CCSCC1)C(C)C ZINC000121438624 594874445 /nfs/dbraw/zinc/87/44/45/594874445.db2.gz JVIVISLBIDQVKP-ZDUSSCGKSA-N 1 2 330.498 1.358 20 30 EDEDLO Cc1ccccc1-c1nc(CON=C(N)C[NH+]2CCSCC2)no1 ZINC000121457989 594989215 /nfs/dbraw/zinc/98/92/15/594989215.db2.gz AFBRLRWDMLMUJT-UHFFFAOYSA-N 1 2 347.444 1.883 20 30 EDEDLO N#Cc1cnc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000842082192 595014701 /nfs/dbraw/zinc/01/47/01/595014701.db2.gz UPPGXCLNIVSDCJ-INIZCTEOSA-N 1 2 338.367 1.292 20 30 EDEDLO N#Cc1cnc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000842082192 595014702 /nfs/dbraw/zinc/01/47/02/595014702.db2.gz UPPGXCLNIVSDCJ-INIZCTEOSA-N 1 2 338.367 1.292 20 30 EDEDLO C=C[C@@H](C)ONC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000845621344 595033770 /nfs/dbraw/zinc/03/37/70/595033770.db2.gz FYBKHZLPCZPDAK-VQCLRJIVSA-N 1 2 327.425 1.062 20 30 EDEDLO C#CC[C@H]1NC(=O)N([C@@H](C[NH+]2CCOCC2)c2ccccc2)C1=O ZINC000842235691 595048044 /nfs/dbraw/zinc/04/80/44/595048044.db2.gz MLXRWIMRFHQGBA-CVEARBPZSA-N 1 2 327.384 1.004 20 30 EDEDLO N#Cc1cnn2cc(C[N@@H+]3CCn4c(nnc4C(F)(F)F)C3)cnc12 ZINC000843394862 595099724 /nfs/dbraw/zinc/09/97/24/595099724.db2.gz CYXCSRBCOGNUGE-UHFFFAOYSA-N 1 2 348.292 1.227 20 30 EDEDLO N#Cc1cnn2cc(C[N@H+]3CCn4c(nnc4C(F)(F)F)C3)cnc12 ZINC000843394862 595099726 /nfs/dbraw/zinc/09/97/26/595099726.db2.gz CYXCSRBCOGNUGE-UHFFFAOYSA-N 1 2 348.292 1.227 20 30 EDEDLO CN(C(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1nccs1 ZINC000844371313 595332579 /nfs/dbraw/zinc/33/25/79/595332579.db2.gz XZMSAXCPICRTSL-CQSZACIVSA-N 1 2 330.413 1.643 20 30 EDEDLO CN(C(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1nccs1 ZINC000844371313 595332581 /nfs/dbraw/zinc/33/25/81/595332581.db2.gz XZMSAXCPICRTSL-CQSZACIVSA-N 1 2 330.413 1.643 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844456396 595345816 /nfs/dbraw/zinc/34/58/16/595345816.db2.gz RBCWQAGEJBIJAN-OKILXGFUSA-N 1 2 343.337 1.879 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844456396 595345818 /nfs/dbraw/zinc/34/58/18/595345818.db2.gz RBCWQAGEJBIJAN-OKILXGFUSA-N 1 2 343.337 1.879 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC000844527697 595355118 /nfs/dbraw/zinc/35/51/18/595355118.db2.gz BLCVOYQGIRFVGN-BBRMVZONSA-N 1 2 336.342 1.418 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN[C@H](c2ccc(C)o2)C(F)(F)F)CC1 ZINC000847066971 595358698 /nfs/dbraw/zinc/35/86/98/595358698.db2.gz YPPYJPKXCUUFFF-OAHLLOKOSA-N 1 2 343.349 1.558 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000847295649 595389448 /nfs/dbraw/zinc/38/94/48/595389448.db2.gz NKJSQHPWSRBLNU-RDJZCZTQSA-N 1 2 337.489 1.249 20 30 EDEDLO C/C(=C/c1ccncc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000847411279 595414064 /nfs/dbraw/zinc/41/40/64/595414064.db2.gz FWBBWTQFIGSCBU-NXVVXOECSA-N 1 2 328.416 1.559 20 30 EDEDLO COc1cccc([C@H](C#N)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1OC ZINC000847444773 595420941 /nfs/dbraw/zinc/42/09/41/595420941.db2.gz KWPNFWVGIPMUHE-RISCZKNCSA-N 1 2 328.372 1.987 20 30 EDEDLO COc1cccc([C@H](C#N)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1OC ZINC000847444773 595420942 /nfs/dbraw/zinc/42/09/42/595420942.db2.gz KWPNFWVGIPMUHE-RISCZKNCSA-N 1 2 328.372 1.987 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000847730227 595475068 /nfs/dbraw/zinc/47/50/68/595475068.db2.gz PNFJXFUNCMFTJJ-DYEKYZERSA-N 1 2 347.419 1.464 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000847730227 595475069 /nfs/dbraw/zinc/47/50/69/595475069.db2.gz PNFJXFUNCMFTJJ-DYEKYZERSA-N 1 2 347.419 1.464 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC000845442616 595498258 /nfs/dbraw/zinc/49/82/58/595498258.db2.gz NGYJBIAMBBKSRO-IAGOWNOFSA-N 1 2 331.460 1.096 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC000845442616 595498259 /nfs/dbraw/zinc/49/82/59/595498259.db2.gz NGYJBIAMBBKSRO-IAGOWNOFSA-N 1 2 331.460 1.096 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1coc(-c2cccc(F)c2)n1 ZINC000111181880 595712252 /nfs/dbraw/zinc/71/22/52/595712252.db2.gz SFGHDHCNPXCTNJ-UHFFFAOYSA-N 1 2 334.351 1.602 20 30 EDEDLO N#CC1(CC(=O)OCC[NH+]2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000861023259 595867948 /nfs/dbraw/zinc/86/79/48/595867948.db2.gz FNQNSZHDOFBHSN-UHFFFAOYSA-N 1 2 341.411 1.681 20 30 EDEDLO COC1(C(N)=[NH+]OCCCC2(C#N)CCOCC2)CCOCC1 ZINC000853742331 595869044 /nfs/dbraw/zinc/86/90/44/595869044.db2.gz JUWJVSNUBNVASU-UHFFFAOYSA-N 1 2 325.409 1.781 20 30 EDEDLO Cc1cc(NC[C@H]2COCCN2C(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000858772243 595887055 /nfs/dbraw/zinc/88/70/55/595887055.db2.gz GDAROXHVKDCEGF-AWEZNQCLSA-N 1 2 332.404 1.731 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000859031932 595956833 /nfs/dbraw/zinc/95/68/33/595956833.db2.gz LZUNKBYWHCJIOP-KRWDZBQOSA-N 1 2 333.407 1.691 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)C1CCOCC1 ZINC000851946162 595980762 /nfs/dbraw/zinc/98/07/62/595980762.db2.gz HKXCHOGCQMUNQL-MRXNPFEDSA-N 1 2 339.399 1.495 20 30 EDEDLO N#Cc1ccc(F)c(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000852153390 596063207 /nfs/dbraw/zinc/06/32/07/596063207.db2.gz IKBRBMJHRSWFHV-OAHLLOKOSA-N 1 2 332.379 1.313 20 30 EDEDLO C=CC[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@@H](C)COC ZINC000852356639 596135141 /nfs/dbraw/zinc/13/51/41/596135141.db2.gz KKGWVXREXQKMEW-AWEZNQCLSA-N 1 2 326.400 1.943 20 30 EDEDLO C=CC[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@@H](C)COC ZINC000852356639 596135144 /nfs/dbraw/zinc/13/51/44/596135144.db2.gz KKGWVXREXQKMEW-AWEZNQCLSA-N 1 2 326.400 1.943 20 30 EDEDLO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)ccc1C#N ZINC000854729781 596178142 /nfs/dbraw/zinc/17/81/42/596178142.db2.gz DMMHNFGRWYDPAH-INIZCTEOSA-N 1 2 329.400 1.504 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000852689335 596228008 /nfs/dbraw/zinc/22/80/08/596228008.db2.gz XVKDWVLOBHXGCP-AWEZNQCLSA-N 1 2 344.419 1.169 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000866598395 596265199 /nfs/dbraw/zinc/26/51/99/596265199.db2.gz BJABPOPMBMOGIY-UHFFFAOYSA-N 1 2 348.255 1.718 20 30 EDEDLO N#C[C@]1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCOC1 ZINC000864567082 596266879 /nfs/dbraw/zinc/26/68/79/596266879.db2.gz YGHZSNUMFDAUSW-GOSISDBHSA-N 1 2 329.400 1.778 20 30 EDEDLO COC(=O)CCN(CC#N)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000871343304 596536967 /nfs/dbraw/zinc/53/69/67/596536967.db2.gz HISWTJQLVWRCQW-UHFFFAOYSA-N 1 2 340.383 1.389 20 30 EDEDLO C#CC[C@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)C1=O ZINC000865331067 596542255 /nfs/dbraw/zinc/54/22/55/596542255.db2.gz OSHLEVBYQGOPNY-DLBZAZTESA-N 1 2 341.411 1.140 20 30 EDEDLO C#CC[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)C1=O ZINC000865331067 596542258 /nfs/dbraw/zinc/54/22/58/596542258.db2.gz OSHLEVBYQGOPNY-DLBZAZTESA-N 1 2 341.411 1.140 20 30 EDEDLO N#CCc1cccc2c1CC[N@@H+](CN1C[C@]3(CCOC3)CC1=O)C2 ZINC000863336794 596554880 /nfs/dbraw/zinc/55/48/80/596554880.db2.gz UUGRZYLVZOQAGB-IBGZPJMESA-N 1 2 325.412 1.707 20 30 EDEDLO N#CCc1cccc2c1CC[N@H+](CN1C[C@]3(CCOC3)CC1=O)C2 ZINC000863336794 596554881 /nfs/dbraw/zinc/55/48/81/596554881.db2.gz UUGRZYLVZOQAGB-IBGZPJMESA-N 1 2 325.412 1.707 20 30 EDEDLO C#CC[NH+]1CCN(c2ncc(C(=O)OC)cc2C(F)(F)F)CC1 ZINC000865427017 596571543 /nfs/dbraw/zinc/57/15/43/596571543.db2.gz KWWZRGAKTSPSDJ-UHFFFAOYSA-N 1 2 327.306 1.642 20 30 EDEDLO C#CCOCCC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000119468015 596588428 /nfs/dbraw/zinc/58/84/28/596588428.db2.gz DYFDLSIOQPIKNP-SFHVURJKSA-N 1 2 330.428 1.524 20 30 EDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2coc(C#N)c2)CC1 ZINC000871541464 596619760 /nfs/dbraw/zinc/61/97/60/596619760.db2.gz XTZGBAJXGGNYKT-UHFFFAOYSA-N 1 2 333.388 1.687 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC000865794906 596686806 /nfs/dbraw/zinc/68/68/06/596686806.db2.gz IZQSZDDCXXRDDX-HNNXBMFYSA-N 1 2 343.374 1.066 20 30 EDEDLO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c(C#N)c1 ZINC000871806765 596704669 /nfs/dbraw/zinc/70/46/69/596704669.db2.gz GKDKYMAXFDGCQL-INIZCTEOSA-N 1 2 342.424 1.597 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000123981071 596826691 /nfs/dbraw/zinc/82/66/91/596826691.db2.gz SBRXRFZWFJEPAN-IUODEOHRSA-N 1 2 331.482 1.184 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000123981071 596826693 /nfs/dbraw/zinc/82/66/93/596826693.db2.gz SBRXRFZWFJEPAN-IUODEOHRSA-N 1 2 331.482 1.184 20 30 EDEDLO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866233894 596834809 /nfs/dbraw/zinc/83/48/09/596834809.db2.gz UYQZCPQYKIDRAC-LBPRGKRZSA-N 1 2 325.434 1.586 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cc2c([nH]1)CCCC2 ZINC000872328886 596881267 /nfs/dbraw/zinc/88/12/67/596881267.db2.gz GIZIPIVLWHWWLC-UHFFFAOYSA-N 1 2 335.477 1.024 20 30 EDEDLO FC(F)c1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)cn1 ZINC000872329189 596881311 /nfs/dbraw/zinc/88/13/11/596881311.db2.gz LDPFXLAINSSLND-UHFFFAOYSA-N 1 2 343.403 1.149 20 30 EDEDLO S=C(NC[C@H]1CCCO1)NN=C1CCC[N@@H+]2CCSC[C@H]12 ZINC000872330818 596881764 /nfs/dbraw/zinc/88/17/64/596881764.db2.gz WAVBZMXORQPVEK-DGCLKSJQSA-N 1 2 328.507 1.197 20 30 EDEDLO S=C(NC[C@H]1CCCO1)NN=C1CCC[N@H+]2CCSC[C@H]12 ZINC000872330818 596881768 /nfs/dbraw/zinc/88/17/68/596881768.db2.gz WAVBZMXORQPVEK-DGCLKSJQSA-N 1 2 328.507 1.197 20 30 EDEDLO C#C[C@H](NC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)C(C)C ZINC000868575600 596887755 /nfs/dbraw/zinc/88/77/55/596887755.db2.gz FPPRNXBRDQVLFR-HNNXBMFYSA-N 1 2 337.464 1.750 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCc2ccc(N(C)C)[nH+]c2)c(C#N)c1 ZINC000872435393 596905976 /nfs/dbraw/zinc/90/59/76/596905976.db2.gz STEDKIDNAISPHX-UHFFFAOYSA-N 1 2 330.413 1.806 20 30 EDEDLO C#CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000874146867 596941423 /nfs/dbraw/zinc/94/14/23/596941423.db2.gz CLCOAFCKDCVUPD-LSDHHAIUSA-N 1 2 337.445 1.119 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000875704989 596953321 /nfs/dbraw/zinc/95/33/21/596953321.db2.gz KCXPWAXMLPOBCU-GUYCJALGSA-N 1 2 336.436 1.560 20 30 EDEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2c(C#N)ccc3ccccc32)C1 ZINC000872661424 597017338 /nfs/dbraw/zinc/01/73/38/597017338.db2.gz RPVMBBIAFZFUQJ-HNNXBMFYSA-N 1 2 346.408 1.751 20 30 EDEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2c(C#N)ccc3ccccc32)C1 ZINC000872661424 597017339 /nfs/dbraw/zinc/01/73/39/597017339.db2.gz RPVMBBIAFZFUQJ-HNNXBMFYSA-N 1 2 346.408 1.751 20 30 EDEDLO C=CCN1CCN(C[N@H+]2CCc3ccc(NC(C)=O)cc3C2)C1=O ZINC000872813489 597081891 /nfs/dbraw/zinc/08/18/91/597081891.db2.gz MUCFPGNNROEKCC-UHFFFAOYSA-N 1 2 328.416 1.884 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2CCc3ccc(NC(C)=O)cc3C2)C1=O ZINC000872813489 597081892 /nfs/dbraw/zinc/08/18/92/597081892.db2.gz MUCFPGNNROEKCC-UHFFFAOYSA-N 1 2 328.416 1.884 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000873362358 597266065 /nfs/dbraw/zinc/26/60/65/597266065.db2.gz AXEHXPXMJGANLQ-IEBWSBKVSA-N 1 2 344.411 1.691 20 30 EDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000873362358 597266067 /nfs/dbraw/zinc/26/60/67/597266067.db2.gz AXEHXPXMJGANLQ-IEBWSBKVSA-N 1 2 344.411 1.691 20 30 EDEDLO COC(=O)C1(O)CC[NH+](CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878338540 597596649 /nfs/dbraw/zinc/59/66/49/597596649.db2.gz XMNDMEGSMZHCNC-SFHVURJKSA-N 1 2 344.411 1.427 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000878429484 597601078 /nfs/dbraw/zinc/60/10/78/597601078.db2.gz HZFJQTNAHANCCG-RBUKOAKNSA-N 1 2 327.428 1.443 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCN2CCOC[C@@H]2C1)c1ccccc1 ZINC000878429484 597601079 /nfs/dbraw/zinc/60/10/79/597601079.db2.gz HZFJQTNAHANCCG-RBUKOAKNSA-N 1 2 327.428 1.443 20 30 EDEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(C#N)cn2)C1 ZINC000882104268 597870154 /nfs/dbraw/zinc/87/01/54/597870154.db2.gz SKFUBRYWHIXYID-UHFFFAOYSA-N 1 2 342.424 1.420 20 30 EDEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(C#N)cn2)C1 ZINC000882104268 597870156 /nfs/dbraw/zinc/87/01/56/597870156.db2.gz SKFUBRYWHIXYID-UHFFFAOYSA-N 1 2 342.424 1.420 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880311865 597899333 /nfs/dbraw/zinc/89/93/33/597899333.db2.gz OZPIADTXEQFFQX-IXDOHACOSA-N 1 2 327.384 1.182 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880311865 597899334 /nfs/dbraw/zinc/89/93/34/597899334.db2.gz OZPIADTXEQFFQX-IXDOHACOSA-N 1 2 327.384 1.182 20 30 EDEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000880480351 597941871 /nfs/dbraw/zinc/94/18/71/597941871.db2.gz PVMCFYANGLMXAM-UHFFFAOYSA-N 1 2 331.372 1.692 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000025551306 598032382 /nfs/dbraw/zinc/03/23/82/598032382.db2.gz UQSNWJQQORXVMC-CYBMUJFWSA-N 1 2 339.361 1.965 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(OC)c(OC(C)C)c1 ZINC000884332121 598070814 /nfs/dbraw/zinc/07/08/14/598070814.db2.gz FUXJBIGANPFPKQ-ZDUSSCGKSA-N 1 2 336.388 1.868 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(Br)o1 ZINC000884380281 598086597 /nfs/dbraw/zinc/08/65/97/598086597.db2.gz ZSEQCGLPVOWNJW-JTQLQIEISA-N 1 2 345.193 1.447 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)COc1c(F)cccc1F ZINC000884405437 598095336 /nfs/dbraw/zinc/09/53/36/598095336.db2.gz PXXSMLRMQHHIPT-MFKMUULPSA-N 1 2 342.342 1.295 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000884469198 598113881 /nfs/dbraw/zinc/11/38/81/598113881.db2.gz ZMZNPDZGPZWBDD-GJZGRUSLSA-N 1 2 336.363 1.252 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@@H]2CN(c3ccccc3)C(=O)O2)nn1 ZINC000881337242 598129074 /nfs/dbraw/zinc/12/90/74/598129074.db2.gz BYCOMIVEORJBKJ-MRXNPFEDSA-N 1 2 325.372 1.416 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCOc2ccccc2)C1 ZINC001031088704 695494817 /nfs/dbraw/zinc/49/48/17/695494817.db2.gz HRJWRQCMZOXOEN-ROUUACIJSA-N 1 2 330.428 1.847 20 30 EDEDLO COc1c(C)c[nH+]c(CNC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1C ZINC000915488285 695842520 /nfs/dbraw/zinc/84/25/20/695842520.db2.gz QFRSRKUWACYUEZ-OKILXGFUSA-N 1 2 345.447 1.835 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000993312334 695950391 /nfs/dbraw/zinc/95/03/91/695950391.db2.gz CAFFKLJCOOCAPQ-IFXJQAMLSA-N 1 2 344.459 1.861 20 30 EDEDLO C=CCOc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)[C@H]2C)cc1 ZINC000993518734 696200247 /nfs/dbraw/zinc/20/02/47/696200247.db2.gz IWLFWGFIDXMCGR-BBRMVZONSA-N 1 2 331.416 1.319 20 30 EDEDLO C=CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)[C@H]2C)cc1 ZINC000993518734 696200250 /nfs/dbraw/zinc/20/02/50/696200250.db2.gz IWLFWGFIDXMCGR-BBRMVZONSA-N 1 2 331.416 1.319 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccn(CCOC)n2)[C@@H]1C ZINC000993574325 696228921 /nfs/dbraw/zinc/22/89/21/696228921.db2.gz NHXPCZSFZZCTCV-UONOGXRCSA-N 1 2 340.855 1.865 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CCOC)n2)[C@@H]1C ZINC000993574325 696228922 /nfs/dbraw/zinc/22/89/22/696228922.db2.gz NHXPCZSFZZCTCV-UONOGXRCSA-N 1 2 340.855 1.865 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)C2(C)CCC2)C1 ZINC000993636397 696271208 /nfs/dbraw/zinc/27/12/08/696271208.db2.gz OYIAYXWPULNQJJ-BFHYXJOUSA-N 1 2 343.431 1.181 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3cnsn3)C2)c1 ZINC001031561843 697252568 /nfs/dbraw/zinc/25/25/68/697252568.db2.gz CNJKNIXLSNUSGC-UHFFFAOYSA-N 1 2 331.376 1.411 20 30 EDEDLO Cc1nn(C)cc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031585998 697281539 /nfs/dbraw/zinc/28/15/39/697281539.db2.gz RBVHBKBGWFFJHA-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO Cc1ncoc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031600713 697300616 /nfs/dbraw/zinc/30/06/16/697300616.db2.gz DMALARSBEAFZSS-UHFFFAOYSA-N 1 2 327.359 1.835 20 30 EDEDLO C=C1CCC(C(=O)N2CC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)CC1 ZINC000994621042 697335074 /nfs/dbraw/zinc/33/50/74/697335074.db2.gz BTXIGEVJRPRXEY-HNNXBMFYSA-N 1 2 342.443 1.519 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)ncn1 ZINC001031619533 697335883 /nfs/dbraw/zinc/33/58/83/697335883.db2.gz CCUFVKSHHQRUAT-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)C3CCC(O)CC3)C2)ccc1F ZINC001031640517 697390368 /nfs/dbraw/zinc/39/03/68/697390368.db2.gz SRSAEAURDBIYMT-UHFFFAOYSA-N 1 2 345.418 1.796 20 30 EDEDLO Cc1cn(C)nc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031660135 697434363 /nfs/dbraw/zinc/43/43/63/697434363.db2.gz BGPPZDTVUNXZDO-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO N#Cc1sccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921321885 697550700 /nfs/dbraw/zinc/55/07/00/697550700.db2.gz LAEGCVCZDUQZIY-QWRGUYRKSA-N 1 2 343.499 1.478 20 30 EDEDLO N#Cc1sccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921321885 697550701 /nfs/dbraw/zinc/55/07/01/697550701.db2.gz LAEGCVCZDUQZIY-QWRGUYRKSA-N 1 2 343.499 1.478 20 30 EDEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060749846 697726754 /nfs/dbraw/zinc/72/67/54/697726754.db2.gz BTGWBYLFBONAOS-MGPQQGTHSA-N 1 2 331.420 1.293 20 30 EDEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060749846 697726756 /nfs/dbraw/zinc/72/67/56/697726756.db2.gz BTGWBYLFBONAOS-MGPQQGTHSA-N 1 2 331.420 1.293 20 30 EDEDLO C=CCCOCC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060751541 697793621 /nfs/dbraw/zinc/79/36/21/697793621.db2.gz QTZRZJKRDVFPGB-WKILWMFISA-N 1 2 348.447 1.267 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2nnc3ccccc3c2O)[C@H](C)C1 ZINC000943289249 698049490 /nfs/dbraw/zinc/04/94/90/698049490.db2.gz OUOSRDGJWRXIAJ-UKRRQHHQSA-N 1 2 338.411 1.799 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nnc3ccccc3c2O)[C@H](C)C1 ZINC000943289249 698049494 /nfs/dbraw/zinc/04/94/94/698049494.db2.gz OUOSRDGJWRXIAJ-UKRRQHHQSA-N 1 2 338.411 1.799 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000943349933 698131094 /nfs/dbraw/zinc/13/10/94/698131094.db2.gz QMQXTKMTTPGFBT-TZMCWYRMSA-N 1 2 339.399 1.833 20 30 EDEDLO C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032078439 698215241 /nfs/dbraw/zinc/21/52/41/698215241.db2.gz LWETXFNQFGZGQD-BLLLJJGKSA-N 1 2 331.391 1.670 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938573549 698299455 /nfs/dbraw/zinc/29/94/55/698299455.db2.gz IAPIIIBQCVPBCF-GFCCVEGCSA-N 1 2 338.839 1.790 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000938712198 698557761 /nfs/dbraw/zinc/55/77/61/698557761.db2.gz PYIPVHCAWWLSDE-QWHCGFSZSA-N 1 2 330.432 1.759 20 30 EDEDLO C=C1CCC(C(=O)N(C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000938780537 698683567 /nfs/dbraw/zinc/68/35/67/698683567.db2.gz YGWBNOIUHYHSJR-INIZCTEOSA-N 1 2 330.432 1.689 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)c1cnon1 ZINC000943726552 698781275 /nfs/dbraw/zinc/78/12/75/698781275.db2.gz JTBWUKTXIMTDKO-XHDPSFHLSA-N 1 2 343.362 1.721 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)c1cnon1 ZINC000943726552 698781280 /nfs/dbraw/zinc/78/12/80/698781280.db2.gz JTBWUKTXIMTDKO-XHDPSFHLSA-N 1 2 343.362 1.721 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@]34CCOC4)C2)cc1F ZINC001032116003 698976714 /nfs/dbraw/zinc/97/67/14/698976714.db2.gz QBDCQYGEHLGWPH-LPHOPBHVSA-N 1 2 343.402 1.672 20 30 EDEDLO C[C@@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CO1 ZINC001031785001 699210440 /nfs/dbraw/zinc/21/04/40/699210440.db2.gz ADWQDDUPTPPIJW-MLGOLLRUSA-N 1 2 331.391 1.670 20 30 EDEDLO C[C@@H]1C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)CO1 ZINC001031785006 699210635 /nfs/dbraw/zinc/21/06/35/699210635.db2.gz ADWQDDUPTPPIJW-WBMJQRKESA-N 1 2 331.391 1.670 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc4ccccc4n3C)CC2)C1 ZINC000941536986 701574494 /nfs/dbraw/zinc/57/44/94/701574494.db2.gz FXAONQUUCGFZDL-UHFFFAOYSA-N 1 2 336.439 1.254 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC34CC(OCC)C4)CC2)C1 ZINC000941564445 701584430 /nfs/dbraw/zinc/58/44/30/701584430.db2.gz JLWGTNFKFWRNIA-FDYSRKEFSA-N 1 2 345.487 1.043 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CO[C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000941592927 701586396 /nfs/dbraw/zinc/58/63/96/701586396.db2.gz LRRXKMDBZIGQEN-FUHWJXTLSA-N 1 2 333.476 1.043 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)C1 ZINC000941579684 701588364 /nfs/dbraw/zinc/58/83/64/701588364.db2.gz GAFNKILKDQDFCM-RBUKOAKNSA-N 1 2 338.455 1.037 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](CC)OC3CCCC3)CC2)C1 ZINC000941590336 701591902 /nfs/dbraw/zinc/59/19/02/701591902.db2.gz LTEUGKXFDPEZOF-SFHVURJKSA-N 1 2 333.476 1.186 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3n[nH]c4c3CCC4)C2)s1 ZINC001031808957 699466930 /nfs/dbraw/zinc/46/69/30/699466930.db2.gz YWZPGVQDDQZRQC-UHFFFAOYSA-N 1 2 341.440 1.693 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OC)c(C)c3)CC2)C1 ZINC000941605581 701594151 /nfs/dbraw/zinc/59/41/51/701594151.db2.gz OZQNMYXUYHXRGT-UHFFFAOYSA-N 1 2 341.455 1.469 20 30 EDEDLO Cn1cncc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031819268 699541704 /nfs/dbraw/zinc/54/17/04/699541704.db2.gz PNEOGENLOBUPHZ-UHFFFAOYSA-N 1 2 327.363 1.293 20 30 EDEDLO C=C1CCC(C(=O)N2CC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC000939469598 699614138 /nfs/dbraw/zinc/61/41/38/699614138.db2.gz YLPUBJKFRSYRSZ-MRXNPFEDSA-N 1 2 344.459 1.768 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccc(C(N)=O)o2)C1 ZINC001031831853 699721863 /nfs/dbraw/zinc/72/18/63/699721863.db2.gz DZNZKWSQXFNZKY-UHFFFAOYSA-N 1 2 338.367 1.112 20 30 EDEDLO Cc1nccc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001032193833 701630574 /nfs/dbraw/zinc/63/05/74/701630574.db2.gz IHNNLXLTEFSGHW-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO Cc1noc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)n1 ZINC000995702613 700456770 /nfs/dbraw/zinc/45/67/70/700456770.db2.gz BEDHTQBGQHCRNV-ZDUSSCGKSA-N 1 2 328.376 1.218 20 30 EDEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000944274160 701659065 /nfs/dbraw/zinc/65/90/65/701659065.db2.gz FRPBNWPZJCDSAI-RBSFLKMASA-N 1 2 342.443 1.977 20 30 EDEDLO C=C1CC(C)(C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000944274160 701659067 /nfs/dbraw/zinc/65/90/67/701659067.db2.gz FRPBNWPZJCDSAI-RBSFLKMASA-N 1 2 342.443 1.977 20 30 EDEDLO CC1(C)C[N@H+](Cc2ncccn2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940686593 700829766 /nfs/dbraw/zinc/82/97/66/700829766.db2.gz OMPSUXAPNXWANQ-HNNXBMFYSA-N 1 2 338.415 1.707 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ncccn2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000940686593 700829770 /nfs/dbraw/zinc/82/97/70/700829770.db2.gz OMPSUXAPNXWANQ-HNNXBMFYSA-N 1 2 338.415 1.707 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3nnnn3C)CC2(C)C)C1 ZINC000941018549 701058108 /nfs/dbraw/zinc/05/81/08/701058108.db2.gz XTYCPRKKUMHCAB-KGLIPLIRSA-N 1 2 346.479 1.844 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3nnnn3C)CC2(C)C)C1 ZINC000941018549 701058110 /nfs/dbraw/zinc/05/81/10/701058110.db2.gz XTYCPRKKUMHCAB-KGLIPLIRSA-N 1 2 346.479 1.844 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000946001008 701353930 /nfs/dbraw/zinc/35/39/30/701353930.db2.gz KQPAYGOARTXTJE-UKRRQHHQSA-N 1 2 330.432 1.614 20 30 EDEDLO C[C@@H]1C[C@@H]1C(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941296973 701453447 /nfs/dbraw/zinc/45/34/47/701453447.db2.gz XCKZCKYLZYAPKX-BEFAXECRSA-N 1 2 338.455 1.543 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCN(C2C[NH+](Cc3cccc(Cl)c3)C2)CC1 ZINC000941348624 701483177 /nfs/dbraw/zinc/48/31/77/701483177.db2.gz QMQYIDWQHOANKP-CQSZACIVSA-N 1 2 346.862 1.828 20 30 EDEDLO N#Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c[nH]1 ZINC000941386550 701510874 /nfs/dbraw/zinc/51/08/74/701510874.db2.gz ONFPHFQPDFBIDE-CYBMUJFWSA-N 1 2 348.366 1.407 20 30 EDEDLO O=C(C#CC1CC1)N1CCN(C2C[NH+](Cc3cccc(F)c3)C2)CC1 ZINC000941401045 701516865 /nfs/dbraw/zinc/51/68/65/701516865.db2.gz ORUZOSPZQZYAJK-UHFFFAOYSA-N 1 2 341.430 1.568 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C(F)F)nc3)CC2)C1 ZINC000941432034 701538285 /nfs/dbraw/zinc/53/82/85/701538285.db2.gz ZEUBRRKXWJICDR-UHFFFAOYSA-N 1 2 348.397 1.485 20 30 EDEDLO CN(C)S(=O)(=O)c1cccc(CO[NH+]=C(N)c2ccccc2)c1 ZINC000072807333 701858719 /nfs/dbraw/zinc/85/87/19/701858719.db2.gz FXZHQPHQBYRNCT-UHFFFAOYSA-N 1 2 333.413 1.774 20 30 EDEDLO CCc1noc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1 ZINC000941929351 702155656 /nfs/dbraw/zinc/15/56/56/702155656.db2.gz LIONOMXMYUUUMW-YPMHNXCESA-N 1 2 342.403 1.472 20 30 EDEDLO CCc1noc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1 ZINC000941929351 702155659 /nfs/dbraw/zinc/15/56/59/702155659.db2.gz LIONOMXMYUUUMW-YPMHNXCESA-N 1 2 342.403 1.472 20 30 EDEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2-c2cnn(C)c2)[C@H](C)C1 ZINC000944081937 702170065 /nfs/dbraw/zinc/17/00/65/702170065.db2.gz TTWWUPCIZLBBGA-CJNGLKHVSA-N 1 2 342.447 1.827 20 30 EDEDLO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2-c2cnn(C)c2)[C@H](C)C1 ZINC000944081937 702170068 /nfs/dbraw/zinc/17/00/68/702170068.db2.gz TTWWUPCIZLBBGA-CJNGLKHVSA-N 1 2 342.447 1.827 20 30 EDEDLO CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)o1 ZINC000941965219 702257816 /nfs/dbraw/zinc/25/78/16/702257816.db2.gz XAFITOZUZXNKRJ-BXUZGUMPSA-N 1 2 342.403 1.472 20 30 EDEDLO CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)o1 ZINC000941965219 702257818 /nfs/dbraw/zinc/25/78/18/702257818.db2.gz XAFITOZUZXNKRJ-BXUZGUMPSA-N 1 2 342.403 1.472 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccn3C)C[C@@H]2C)nc1 ZINC000944192407 702484163 /nfs/dbraw/zinc/48/41/63/702484163.db2.gz LMLCZPUVTNUAHR-GOEBONIOSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)C[C@@H]2C)nc1 ZINC000944192407 702484166 /nfs/dbraw/zinc/48/41/66/702484166.db2.gz LMLCZPUVTNUAHR-GOEBONIOSA-N 1 2 337.427 1.437 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000942216522 702731185 /nfs/dbraw/zinc/73/11/85/702731185.db2.gz NJBSNLAMDUVAOT-ZWNOBZJWSA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000942216522 702731187 /nfs/dbraw/zinc/73/11/87/702731187.db2.gz NJBSNLAMDUVAOT-ZWNOBZJWSA-N 1 2 330.417 1.378 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C(C)(C)C2)nc1 ZINC000996530026 702845936 /nfs/dbraw/zinc/84/59/36/702845936.db2.gz ZCPKZQVTFGWPDT-OAHLLOKOSA-N 1 2 341.440 1.555 20 30 EDEDLO CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)cn1 ZINC001032320494 703022496 /nfs/dbraw/zinc/02/24/96/703022496.db2.gz LBECSXHEXZNQHS-ROUUACIJSA-N 1 2 335.411 1.874 20 30 EDEDLO CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)cn1 ZINC001032320494 703022499 /nfs/dbraw/zinc/02/24/99/703022499.db2.gz LBECSXHEXZNQHS-ROUUACIJSA-N 1 2 335.411 1.874 20 30 EDEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3cc(C)ns3)C2)nn1 ZINC001032035315 703110218 /nfs/dbraw/zinc/11/02/18/703110218.db2.gz UPWXLYXQUYRVHU-UHFFFAOYSA-N 1 2 332.433 1.091 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(CC)n3)C[C@H]2C)C1 ZINC000942602610 703119326 /nfs/dbraw/zinc/11/93/26/703119326.db2.gz LKVBBYLUQNOGLK-ZBFHGGJFSA-N 1 2 331.464 1.981 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cnn(CC)n3)C[C@H]2C)C1 ZINC000942602610 703119327 /nfs/dbraw/zinc/11/93/27/703119327.db2.gz LKVBBYLUQNOGLK-ZBFHGGJFSA-N 1 2 331.464 1.981 20 30 EDEDLO N#CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cccnn2)cc1 ZINC001032696126 706727690 /nfs/dbraw/zinc/72/76/90/706727690.db2.gz BBLWSDYKOMHUIO-HOTGVXAUSA-N 1 2 349.394 1.478 20 30 EDEDLO N#CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cccnn2)cc1 ZINC001032696126 706727694 /nfs/dbraw/zinc/72/76/94/706727694.db2.gz BBLWSDYKOMHUIO-HOTGVXAUSA-N 1 2 349.394 1.478 20 30 EDEDLO Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)c3cc(C#N)c[nH]3)CC2)o1 ZINC000997532980 703786195 /nfs/dbraw/zinc/78/61/95/703786195.db2.gz GDLKEKCJGPKWJO-NSHDSACASA-N 1 2 342.403 1.608 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC000999283091 706775765 /nfs/dbraw/zinc/77/57/65/706775765.db2.gz ARLSHCOYVXMGDY-CYBMUJFWSA-N 1 2 328.416 1.513 20 30 EDEDLO O=C(CCc1cncnc1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032520009 703957314 /nfs/dbraw/zinc/95/73/14/703957314.db2.gz YOLWBHBZBHIORD-PMACEKPBSA-N 1 2 346.434 1.746 20 30 EDEDLO O=C(CCc1cncnc1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032520009 703957316 /nfs/dbraw/zinc/95/73/16/703957316.db2.gz YOLWBHBZBHIORD-PMACEKPBSA-N 1 2 346.434 1.746 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C(C)(C)C1 ZINC000995567034 704006632 /nfs/dbraw/zinc/00/66/32/704006632.db2.gz VPAYVJHJZHMPKY-DGCLKSJQSA-N 1 2 331.420 1.508 20 30 EDEDLO COc1nc(C)ncc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004454906 704448365 /nfs/dbraw/zinc/44/83/65/704448365.db2.gz AUFSMPJWKKRFCB-MRXNPFEDSA-N 1 2 343.431 1.634 20 30 EDEDLO COc1nc(C)ncc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004454906 704448366 /nfs/dbraw/zinc/44/83/66/704448366.db2.gz AUFSMPJWKKRFCB-MRXNPFEDSA-N 1 2 343.431 1.634 20 30 EDEDLO Cc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)n1 ZINC000995633908 704607588 /nfs/dbraw/zinc/60/75/88/704607588.db2.gz JSHLMAJWLROUPD-QMTHXVAHSA-N 1 2 342.403 1.779 20 30 EDEDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cn1)C1CCN(CC#N)CC1 ZINC000997832267 704750694 /nfs/dbraw/zinc/75/06/94/704750694.db2.gz GRLCNICCFZOFCY-AWEZNQCLSA-N 1 2 338.415 1.621 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC2(CN(C(=O)C#CC3CC3)C2)CC1 ZINC000944992598 704896801 /nfs/dbraw/zinc/89/68/01/704896801.db2.gz KHFKSLXWLWMHFM-UHFFFAOYSA-N 1 2 340.427 1.125 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CCOCC2)c1 ZINC001032245664 705371349 /nfs/dbraw/zinc/37/13/49/705371349.db2.gz QYYAWUFHLYUVOF-ROUUACIJSA-N 1 2 325.412 1.770 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CCOCC2)c1 ZINC001032245664 705371353 /nfs/dbraw/zinc/37/13/53/705371353.db2.gz QYYAWUFHLYUVOF-ROUUACIJSA-N 1 2 325.412 1.770 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC000998757242 706192107 /nfs/dbraw/zinc/19/21/07/706192107.db2.gz WPHDDAULZDIXKJ-GXTWGEPZSA-N 1 2 331.420 1.967 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](C)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001005057945 707235657 /nfs/dbraw/zinc/23/56/57/707235657.db2.gz SOXJNYQVZUZXBV-GOEBONIOSA-N 1 2 344.459 1.672 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001033271576 707304825 /nfs/dbraw/zinc/30/48/25/707304825.db2.gz VWZMIGQASZZVPD-GFCCVEGCSA-N 1 2 334.811 1.262 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc3c(c2)nnn3C)C1 ZINC001033271576 707304830 /nfs/dbraw/zinc/30/48/30/707304830.db2.gz VWZMIGQASZZVPD-GFCCVEGCSA-N 1 2 334.811 1.262 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001033204750 707623611 /nfs/dbraw/zinc/62/36/11/707623611.db2.gz CFLBTYOSMWKYFN-AWEZNQCLSA-N 1 2 349.866 1.976 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(N3CCCC3)n2)C1 ZINC001033204750 707623615 /nfs/dbraw/zinc/62/36/15/707623615.db2.gz CFLBTYOSMWKYFN-AWEZNQCLSA-N 1 2 349.866 1.976 20 30 EDEDLO Cc1nsc(NC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)c1C#N ZINC001060894375 707641886 /nfs/dbraw/zinc/64/18/86/707641886.db2.gz KPMGMBJJDVXZHH-LBPRGKRZSA-N 1 2 344.444 1.560 20 30 EDEDLO C=CCOc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001033204078 707647371 /nfs/dbraw/zinc/64/73/71/707647371.db2.gz PFXZLDJVTUZSSU-CQSZACIVSA-N 1 2 331.416 1.144 20 30 EDEDLO C=CCOc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001033204078 707647374 /nfs/dbraw/zinc/64/73/74/707647374.db2.gz PFXZLDJVTUZSSU-CQSZACIVSA-N 1 2 331.416 1.144 20 30 EDEDLO N#Cc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)c(F)c1 ZINC001032815162 708152715 /nfs/dbraw/zinc/15/27/15/708152715.db2.gz GIPLEEYOZYZEFG-HOTGVXAUSA-N 1 2 339.374 1.379 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]2C)C1 ZINC001005268106 708443183 /nfs/dbraw/zinc/44/31/83/708443183.db2.gz OENHEWHQFSWPHN-JKSUJKDBSA-N 1 2 344.459 1.983 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001005300545 708588353 /nfs/dbraw/zinc/58/83/53/708588353.db2.gz BKJSINYZWYGRRP-ZFWWWQNUSA-N 1 2 332.448 1.908 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001033801088 708793327 /nfs/dbraw/zinc/79/33/27/708793327.db2.gz CSTHAUUWZJUJGW-XJKSGUPXSA-N 1 2 338.415 1.974 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001033801088 708793330 /nfs/dbraw/zinc/79/33/30/708793330.db2.gz CSTHAUUWZJUJGW-XJKSGUPXSA-N 1 2 338.415 1.974 20 30 EDEDLO C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001033837621 708867261 /nfs/dbraw/zinc/86/72/61/708867261.db2.gz IOUAHVYZJGMEMD-AWEZNQCLSA-N 1 2 340.445 1.796 20 30 EDEDLO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001033837621 708867263 /nfs/dbraw/zinc/86/72/63/708867263.db2.gz IOUAHVYZJGMEMD-AWEZNQCLSA-N 1 2 340.445 1.796 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001033876979 708946049 /nfs/dbraw/zinc/94/60/49/708946049.db2.gz GFXCOOOHTPGJJW-LBPRGKRZSA-N 1 2 349.822 1.952 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001033876979 708946050 /nfs/dbraw/zinc/94/60/50/708946050.db2.gz GFXCOOOHTPGJJW-LBPRGKRZSA-N 1 2 349.822 1.952 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3nnnc3c2)C1 ZINC001033918744 709068785 /nfs/dbraw/zinc/06/87/85/709068785.db2.gz GKRBLVYABHYMCG-CYBMUJFWSA-N 1 2 334.811 1.413 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3nnnc3c2)C1 ZINC001033918744 709068788 /nfs/dbraw/zinc/06/87/88/709068788.db2.gz GKRBLVYABHYMCG-CYBMUJFWSA-N 1 2 334.811 1.413 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccoc2CC(N)=O)C1 ZINC001033933977 709111920 /nfs/dbraw/zinc/11/19/20/709111920.db2.gz MAJQZQSPBPNFIZ-LBPRGKRZSA-N 1 2 339.823 1.596 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccoc2CC(N)=O)C1 ZINC001033933977 709111921 /nfs/dbraw/zinc/11/19/21/709111921.db2.gz MAJQZQSPBPNFIZ-LBPRGKRZSA-N 1 2 339.823 1.596 20 30 EDEDLO C=C(Cl)CN1CC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001038549644 709126770 /nfs/dbraw/zinc/12/67/70/709126770.db2.gz BGHSNZAYKOKTSK-HZPDHXFCSA-N 1 2 341.883 1.430 20 30 EDEDLO C=C(Cl)CN1CC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001038549644 709126772 /nfs/dbraw/zinc/12/67/72/709126772.db2.gz BGHSNZAYKOKTSK-HZPDHXFCSA-N 1 2 341.883 1.430 20 30 EDEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](Cc3cnnn3C)C2)CC1 ZINC001033946262 709154515 /nfs/dbraw/zinc/15/45/15/709154515.db2.gz TZIAWYYAHDYWBF-INIZCTEOSA-N 1 2 331.464 1.984 20 30 EDEDLO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](Cc3cnnn3C)C2)CC1 ZINC001033946262 709154518 /nfs/dbraw/zinc/15/45/18/709154518.db2.gz TZIAWYYAHDYWBF-INIZCTEOSA-N 1 2 331.464 1.984 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cn(C)cn2)CC1 ZINC001002600982 709161388 /nfs/dbraw/zinc/16/13/88/709161388.db2.gz LSYUVYDOSXBIIJ-UHFFFAOYSA-N 1 2 327.226 1.523 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001034031034 709258996 /nfs/dbraw/zinc/25/89/96/709258996.db2.gz CYCBMOAZSRQIPT-KBPBESRZSA-N 1 2 327.856 1.673 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001034031034 709258998 /nfs/dbraw/zinc/25/89/98/709258998.db2.gz CYCBMOAZSRQIPT-KBPBESRZSA-N 1 2 327.856 1.673 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001034052471 709281634 /nfs/dbraw/zinc/28/16/34/709281634.db2.gz KKFABWDDGQFNQO-LBPRGKRZSA-N 1 2 326.828 1.013 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001034052471 709281636 /nfs/dbraw/zinc/28/16/36/709281636.db2.gz KKFABWDDGQFNQO-LBPRGKRZSA-N 1 2 326.828 1.013 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2nccc(C)n2)CC1 ZINC001002693641 709288624 /nfs/dbraw/zinc/28/86/24/709288624.db2.gz WIJMIESRPDUEKQ-UHFFFAOYSA-N 1 2 339.237 1.888 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC001002866781 709475806 /nfs/dbraw/zinc/47/58/06/709475806.db2.gz IBKVEWNSMJRHHV-IAGOWNOFSA-N 1 2 348.406 1.383 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC001002866781 709475807 /nfs/dbraw/zinc/47/58/07/709475807.db2.gz IBKVEWNSMJRHHV-IAGOWNOFSA-N 1 2 348.406 1.383 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nonc2C)C1 ZINC001034211559 709562199 /nfs/dbraw/zinc/56/21/99/709562199.db2.gz BYIFUXWWVSQKRF-INMHGKMJSA-N 1 2 348.447 1.830 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nonc2C)C1 ZINC001034211559 709562202 /nfs/dbraw/zinc/56/22/02/709562202.db2.gz BYIFUXWWVSQKRF-INMHGKMJSA-N 1 2 348.447 1.830 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001034271016 709676551 /nfs/dbraw/zinc/67/65/51/709676551.db2.gz HQCMTXUWDLZPQY-ZDUSSCGKSA-N 1 2 338.839 1.750 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cn3c(n2)COCC3)C1 ZINC001034271016 709676553 /nfs/dbraw/zinc/67/65/53/709676553.db2.gz HQCMTXUWDLZPQY-ZDUSSCGKSA-N 1 2 338.839 1.750 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cnns2)C1 ZINC001034405348 709950026 /nfs/dbraw/zinc/95/00/26/709950026.db2.gz AFCXXRZKPPQNIF-YUELXQCFSA-N 1 2 336.461 1.600 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cnns2)C1 ZINC001034405348 709950027 /nfs/dbraw/zinc/95/00/27/709950027.db2.gz AFCXXRZKPPQNIF-YUELXQCFSA-N 1 2 336.461 1.600 20 30 EDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001061750518 709960057 /nfs/dbraw/zinc/96/00/57/709960057.db2.gz XTGONHCUXYITCM-CQSZACIVSA-N 1 2 348.447 1.207 20 30 EDEDLO C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001034428039 709964971 /nfs/dbraw/zinc/96/49/71/709964971.db2.gz LOMXJRMJCNRWAD-CYBMUJFWSA-N 1 2 338.429 1.291 20 30 EDEDLO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001034428039 709964974 /nfs/dbraw/zinc/96/49/74/709964974.db2.gz LOMXJRMJCNRWAD-CYBMUJFWSA-N 1 2 338.429 1.291 20 30 EDEDLO N#Cc1cc(C[NH+]2CCC(NC(=O)c3cn[nH]n3)CC2)ccc1F ZINC001003231274 710152833 /nfs/dbraw/zinc/15/28/33/710152833.db2.gz KWNZVCIKUIVFDT-UHFFFAOYSA-N 1 2 328.351 1.210 20 30 EDEDLO N#Cc1cc(C[NH+]2CCC(NC(=O)c3cnn[nH]3)CC2)ccc1F ZINC001003231274 710152835 /nfs/dbraw/zinc/15/28/35/710152835.db2.gz KWNZVCIKUIVFDT-UHFFFAOYSA-N 1 2 328.351 1.210 20 30 EDEDLO C=CCn1cc(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)nn1 ZINC000425561878 710391475 /nfs/dbraw/zinc/39/14/75/710391475.db2.gz DHAMJJDDLDLMPZ-ZDUSSCGKSA-N 1 2 329.408 1.287 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001003651415 710468929 /nfs/dbraw/zinc/46/89/29/710468929.db2.gz CYSQOSCPSDCTBG-BMFZPTHFSA-N 1 2 330.432 1.709 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](N(C)C(=O)C3CCC3)C2)c1 ZINC001032853418 710537075 /nfs/dbraw/zinc/53/70/75/710537075.db2.gz QZDKQJBUOBBLIK-SFHVURJKSA-N 1 2 339.439 1.939 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](N(C)C(=O)C3CCC3)C2)c1 ZINC001032853418 710537077 /nfs/dbraw/zinc/53/70/77/710537077.db2.gz QZDKQJBUOBBLIK-SFHVURJKSA-N 1 2 339.439 1.939 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2=COCCO2)C1 ZINC001032877518 710582007 /nfs/dbraw/zinc/58/20/07/710582007.db2.gz XOGAVUZQBVKYEM-LLVKDONJSA-N 1 2 331.210 1.316 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2=COCCO2)C1 ZINC001032877518 710582009 /nfs/dbraw/zinc/58/20/09/710582009.db2.gz XOGAVUZQBVKYEM-LLVKDONJSA-N 1 2 331.210 1.316 20 30 EDEDLO Cc1nn(C)cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032961042 710971819 /nfs/dbraw/zinc/97/18/19/710971819.db2.gz BOJHISBYIPLDLF-KRWDZBQOSA-N 1 2 337.427 1.947 20 30 EDEDLO Cc1nn(C)cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032961042 710971823 /nfs/dbraw/zinc/97/18/23/710971823.db2.gz BOJHISBYIPLDLF-KRWDZBQOSA-N 1 2 337.427 1.947 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001061798289 710973755 /nfs/dbraw/zinc/97/37/55/710973755.db2.gz XPHKUCOMRQKAKM-GDBMZVCRSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001061798289 710973757 /nfs/dbraw/zinc/97/37/57/710973757.db2.gz XPHKUCOMRQKAKM-GDBMZVCRSA-N 1 2 348.447 1.288 20 30 EDEDLO Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)oc1C ZINC001033021132 711323223 /nfs/dbraw/zinc/32/32/23/711323223.db2.gz WEIOYRLXMARZCP-OAHLLOKOSA-N 1 2 327.388 1.838 20 30 EDEDLO Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)oc1C ZINC001033021132 711323226 /nfs/dbraw/zinc/32/32/26/711323226.db2.gz WEIOYRLXMARZCP-OAHLLOKOSA-N 1 2 327.388 1.838 20 30 EDEDLO C=CCCC(=O)NC[C@@H]1COCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001061401997 711517438 /nfs/dbraw/zinc/51/74/38/711517438.db2.gz PJKCUEANVOOYMH-CQSZACIVSA-N 1 2 342.399 1.486 20 30 EDEDLO COc1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)nn1C ZINC001004486598 711866078 /nfs/dbraw/zinc/86/60/78/711866078.db2.gz XDUVKIYVLFNVGG-HNNXBMFYSA-N 1 2 331.420 1.269 20 30 EDEDLO COc1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)nn1C ZINC001004486598 711866080 /nfs/dbraw/zinc/86/60/80/711866080.db2.gz XDUVKIYVLFNVGG-HNNXBMFYSA-N 1 2 331.420 1.269 20 30 EDEDLO COc1ccnc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1 ZINC001004508096 711897687 /nfs/dbraw/zinc/89/76/87/711897687.db2.gz QXLKYVWPRUKXFJ-QGZVFWFLSA-N 1 2 328.416 1.930 20 30 EDEDLO COc1ccnc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1 ZINC001004508096 711897688 /nfs/dbraw/zinc/89/76/88/711897688.db2.gz QXLKYVWPRUKXFJ-QGZVFWFLSA-N 1 2 328.416 1.930 20 30 EDEDLO CN(C)c1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)ccn1 ZINC001004572127 711996585 /nfs/dbraw/zinc/99/65/85/711996585.db2.gz ZSJLCPMCDNHDIB-QGZVFWFLSA-N 1 2 341.459 1.988 20 30 EDEDLO CN(C)c1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)ccn1 ZINC001004572127 711996587 /nfs/dbraw/zinc/99/65/87/711996587.db2.gz ZSJLCPMCDNHDIB-QGZVFWFLSA-N 1 2 341.459 1.988 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2ncccn2)CC1 ZINC001004578641 712010019 /nfs/dbraw/zinc/01/00/19/712010019.db2.gz XAIAFVZIKXRPFC-MRXNPFEDSA-N 1 2 327.432 1.636 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2ncccn2)CC1 ZINC001004578641 712010021 /nfs/dbraw/zinc/01/00/21/712010021.db2.gz XAIAFVZIKXRPFC-MRXNPFEDSA-N 1 2 327.432 1.636 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cccnc3C)C2)nn1 ZINC001033485027 712605894 /nfs/dbraw/zinc/60/58/94/712605894.db2.gz VRAJARQCKIEMCK-INIZCTEOSA-N 1 2 340.431 1.514 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cccnc3C)C2)nn1 ZINC001033485027 712605895 /nfs/dbraw/zinc/60/58/95/712605895.db2.gz VRAJARQCKIEMCK-INIZCTEOSA-N 1 2 340.431 1.514 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CC(N)=O)C(C)C)c1C ZINC000051477154 214095869 /nfs/dbraw/zinc/09/58/69/214095869.db2.gz NIHFLEPEYMLDSY-UHFFFAOYSA-N 1 2 330.432 1.746 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CC(N)=O)C(C)C)c1C ZINC000051477154 214095872 /nfs/dbraw/zinc/09/58/72/214095872.db2.gz NIHFLEPEYMLDSY-UHFFFAOYSA-N 1 2 330.432 1.746 20 30 EDEDLO CCc1nnc(CO[NH+]=C(N)c2ccc(-n3nc(C)cc3C)nc2)o1 ZINC000136642706 529769123 /nfs/dbraw/zinc/76/91/23/529769123.db2.gz ABTNLDHTRUTDBU-UHFFFAOYSA-N 1 2 341.375 1.667 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=O)CN([C@H]2CC[C@H](O)CC2)C1=[NH2+] ZINC000133205832 529833180 /nfs/dbraw/zinc/83/31/80/529833180.db2.gz KABHFHYXFNPYDA-BETUJISGSA-N 1 2 340.427 1.950 20 30 EDEDLO O=C(Nc1cccc(-n2cccn2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329614371 539450071 /nfs/dbraw/zinc/45/00/71/539450071.db2.gz FBRCJAWOHCQUQK-QGZVFWFLSA-N 1 2 341.415 1.824 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000329659086 539454801 /nfs/dbraw/zinc/45/48/01/539454801.db2.gz NRPDVUDVTIWNFJ-DOTOQJQBSA-N 1 2 344.463 1.761 20 30 EDEDLO CC[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1c(C)nn(C)c1C ZINC000329792975 539465065 /nfs/dbraw/zinc/46/50/65/539465065.db2.gz APVQIBGIAGFCAR-CABCVRRESA-N 1 2 336.484 1.237 20 30 EDEDLO CC[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1c(C)nn(C)c1C ZINC000329792975 539465068 /nfs/dbraw/zinc/46/50/68/539465068.db2.gz APVQIBGIAGFCAR-CABCVRRESA-N 1 2 336.484 1.237 20 30 EDEDLO CC(C)(CNC(=O)COc1ccc(C#N)c(F)c1)[NH+]1CCOCC1 ZINC000066749345 215075614 /nfs/dbraw/zinc/07/56/14/215075614.db2.gz VRXUMSGJIDTXMW-UHFFFAOYSA-N 1 2 335.379 1.303 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)nc1 ZINC000561102039 306282401 /nfs/dbraw/zinc/28/24/01/306282401.db2.gz NIWVFCPRZQECAV-GJZGRUSLSA-N 1 2 337.383 1.392 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[C@@H]1C#N)C1CCOCC1 ZINC000332782105 539604629 /nfs/dbraw/zinc/60/46/29/539604629.db2.gz IAUNADPISGNBIU-QLFBSQMISA-N 1 2 331.420 1.879 20 30 EDEDLO N#Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c[nH]1 ZINC000181292325 234143478 /nfs/dbraw/zinc/14/34/78/234143478.db2.gz ZGLZPOPPLUXUFU-SFHVURJKSA-N 1 2 338.411 1.560 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000563342745 306328419 /nfs/dbraw/zinc/32/84/19/306328419.db2.gz QXCPHEBOCDWXMU-DLBZAZTESA-N 1 2 327.428 1.889 20 30 EDEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000054485809 138143522 /nfs/dbraw/zinc/14/35/22/138143522.db2.gz SDBULXGLKDHLDM-UHFFFAOYSA-N 1 2 336.395 1.676 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cnc4ccc(C#N)cn34)[C@@H]2C1 ZINC000092095981 138286582 /nfs/dbraw/zinc/28/65/82/138286582.db2.gz VBBHQNXSRWYEDZ-BRWVUGGUSA-N 1 2 326.400 1.974 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cnc4ccc(C#N)cn34)[C@@H]2C1 ZINC000092095981 138286583 /nfs/dbraw/zinc/28/65/83/138286583.db2.gz VBBHQNXSRWYEDZ-BRWVUGGUSA-N 1 2 326.400 1.974 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000092965127 138291046 /nfs/dbraw/zinc/29/10/46/138291046.db2.gz MMNBTSBGZWMEJY-UHFFFAOYSA-N 1 2 349.456 1.853 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000092965127 138291047 /nfs/dbraw/zinc/29/10/47/138291047.db2.gz MMNBTSBGZWMEJY-UHFFFAOYSA-N 1 2 349.456 1.853 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247404926 249316620 /nfs/dbraw/zinc/31/66/20/249316620.db2.gz RHZWOXPEWDYAHG-OAGGEKHMSA-N 1 2 335.448 1.597 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247404926 249316623 /nfs/dbraw/zinc/31/66/23/249316623.db2.gz RHZWOXPEWDYAHG-OAGGEKHMSA-N 1 2 335.448 1.597 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[C@H]([NH2+]C)C3)cc2[nH]c1=S ZINC000269131510 249376073 /nfs/dbraw/zinc/37/60/73/249376073.db2.gz OONGZMHMNCNAQT-LBPRGKRZSA-N 1 2 344.440 1.305 20 30 EDEDLO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000248042134 139157534 /nfs/dbraw/zinc/15/75/34/139157534.db2.gz VTTMRMJICGIHAU-GOSISDBHSA-N 1 2 349.438 1.905 20 30 EDEDLO C[C@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC(=O)N1C ZINC000330414471 249865377 /nfs/dbraw/zinc/86/53/77/249865377.db2.gz NAWUPCQQDFAMMC-VIFPVBQESA-N 1 2 333.314 1.022 20 30 EDEDLO Cc1cc(C[NH+]2CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)on1 ZINC000330638600 249888053 /nfs/dbraw/zinc/88/80/53/249888053.db2.gz BDDFMUJIZDARBS-YJBOKZPZSA-N 1 2 347.463 1.544 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](c1nc(C)no1)C1CCOCC1 ZINC000345815507 250035968 /nfs/dbraw/zinc/03/59/68/250035968.db2.gz KHPWFNQKZKLVGI-HNNXBMFYSA-N 1 2 335.408 1.198 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@H](c1nc(C)no1)C1CCOCC1 ZINC000345865296 250037769 /nfs/dbraw/zinc/03/77/69/250037769.db2.gz ZSUCRNQANHADPK-MRXNPFEDSA-N 1 2 334.420 1.636 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000346018915 250038873 /nfs/dbraw/zinc/03/88/73/250038873.db2.gz CRHBIPJIOQOIID-WCQYABFASA-N 1 2 332.326 1.030 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000346018915 250038876 /nfs/dbraw/zinc/03/88/76/250038876.db2.gz CRHBIPJIOQOIID-WCQYABFASA-N 1 2 332.326 1.030 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000346246509 250042272 /nfs/dbraw/zinc/04/22/72/250042272.db2.gz TXLGSFVLTLURAF-ZIAGYGMSSA-N 1 2 334.464 1.564 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000346246509 250042275 /nfs/dbraw/zinc/04/22/75/250042275.db2.gz TXLGSFVLTLURAF-ZIAGYGMSSA-N 1 2 334.464 1.564 20 30 EDEDLO C=CCNC(=O)CNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000347886986 250054805 /nfs/dbraw/zinc/05/48/05/250054805.db2.gz BFJCDDILLOSDEX-UHFFFAOYSA-N 1 2 326.400 1.722 20 30 EDEDLO C=CCc1ccc(OCC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c(OC)c1 ZINC000351716803 250063264 /nfs/dbraw/zinc/06/32/64/250063264.db2.gz CBRNKOUMJUVCCZ-CRAIPNDOSA-N 1 2 346.427 1.344 20 30 EDEDLO C=CCc1ccc(OCC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(OC)c1 ZINC000351716803 250063269 /nfs/dbraw/zinc/06/32/69/250063269.db2.gz CBRNKOUMJUVCCZ-CRAIPNDOSA-N 1 2 346.427 1.344 20 30 EDEDLO COc1cc(C[N@H+](C)C[C@@H](C)C#N)cc(Cl)c1OCC(N)=O ZINC000352080470 250070657 /nfs/dbraw/zinc/07/06/57/250070657.db2.gz ZEZXTXBRZBNXJV-JTQLQIEISA-N 1 2 325.796 1.804 20 30 EDEDLO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc(Cl)c1OCC(N)=O ZINC000352080470 250070663 /nfs/dbraw/zinc/07/06/63/250070663.db2.gz ZEZXTXBRZBNXJV-JTQLQIEISA-N 1 2 325.796 1.804 20 30 EDEDLO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)OC)C2)cc1 ZINC000354895607 250101731 /nfs/dbraw/zinc/10/17/31/250101731.db2.gz IBSQNXYMMHOTLY-HNNXBMFYSA-N 1 2 346.427 1.866 20 30 EDEDLO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)OC)C2)cc1 ZINC000354895607 250101733 /nfs/dbraw/zinc/10/17/33/250101733.db2.gz IBSQNXYMMHOTLY-HNNXBMFYSA-N 1 2 346.427 1.866 20 30 EDEDLO CC[C@](C)(C#N)C(=O)N(C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354946645 250102762 /nfs/dbraw/zinc/10/27/62/250102762.db2.gz JTOJCVRHNLBTDH-JKIFEVAISA-N 1 2 335.427 1.731 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OCC)C1 ZINC000374411610 250263460 /nfs/dbraw/zinc/26/34/60/250263460.db2.gz MCSUTMWAOOILGU-HNNXBMFYSA-N 1 2 345.399 1.161 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)OCC)C1 ZINC000374411610 250263463 /nfs/dbraw/zinc/26/34/63/250263463.db2.gz MCSUTMWAOOILGU-HNNXBMFYSA-N 1 2 345.399 1.161 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000376177152 250286657 /nfs/dbraw/zinc/28/66/57/250286657.db2.gz ZUOGARIFFYPLDY-GOSISDBHSA-N 1 2 326.440 1.992 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000337206388 284850401 /nfs/dbraw/zinc/85/04/01/284850401.db2.gz MJITWJNGCSHFSF-CQSZACIVSA-N 1 2 339.465 1.910 20 30 EDEDLO Cc1csc(=O)n1CC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000263842814 139364148 /nfs/dbraw/zinc/36/41/48/139364148.db2.gz LKJPMBPGDKVWNT-UHFFFAOYSA-N 1 2 342.468 1.908 20 30 EDEDLO Cc1ncc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1C#N ZINC000489071326 255063622 /nfs/dbraw/zinc/06/36/22/255063622.db2.gz KQDHENAAXMNSIZ-CQSZACIVSA-N 1 2 334.401 1.436 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1 ZINC000491068162 255118145 /nfs/dbraw/zinc/11/81/45/255118145.db2.gz MRVKWUFVOVJYKK-UHFFFAOYSA-N 1 2 329.375 1.200 20 30 EDEDLO C#C[C@@H]1COCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000491634532 255135277 /nfs/dbraw/zinc/13/52/77/255135277.db2.gz TWMZQKNHHFXHKW-QGZVFWFLSA-N 1 2 345.418 1.198 20 30 EDEDLO C#C[C@@H]1COCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000491634532 255135279 /nfs/dbraw/zinc/13/52/79/255135279.db2.gz TWMZQKNHHFXHKW-QGZVFWFLSA-N 1 2 345.418 1.198 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCCN(CC(F)(F)F)C2=O)n1 ZINC000491774801 255146939 /nfs/dbraw/zinc/14/69/39/255146939.db2.gz CSCFWEFDTRHGGH-AWEZNQCLSA-N 1 2 342.365 1.892 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)[C@H]2CCCN(CC(F)(F)F)C2=O)n1 ZINC000491774801 255146941 /nfs/dbraw/zinc/14/69/41/255146941.db2.gz CSCFWEFDTRHGGH-AWEZNQCLSA-N 1 2 342.365 1.892 20 30 EDEDLO COC(=O)C(C)(C)N1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000494392024 255248748 /nfs/dbraw/zinc/24/87/48/255248748.db2.gz MRKCHKRBNRRBHG-UHFFFAOYSA-N 1 2 331.416 1.636 20 30 EDEDLO C=C[C@@H](C)ONC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496154866 255358120 /nfs/dbraw/zinc/35/81/20/255358120.db2.gz YYDMGZACZAUTJN-OLZOCXBDSA-N 1 2 342.440 1.343 20 30 EDEDLO C=C[C@@H](C)ONC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496154866 255358121 /nfs/dbraw/zinc/35/81/21/255358121.db2.gz YYDMGZACZAUTJN-OLZOCXBDSA-N 1 2 342.440 1.343 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(CN2CCOC2=O)cc1 ZINC000496273856 255373382 /nfs/dbraw/zinc/37/33/82/255373382.db2.gz JYAHWWNHQIPBBG-INIZCTEOSA-N 1 2 332.404 1.257 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(CN2CCOC2=O)cc1 ZINC000496273856 255373383 /nfs/dbraw/zinc/37/33/83/255373383.db2.gz JYAHWWNHQIPBBG-INIZCTEOSA-N 1 2 332.404 1.257 20 30 EDEDLO Cc1ncsc1CCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000570865739 306553136 /nfs/dbraw/zinc/55/31/36/306553136.db2.gz BOZRBISBRASVBK-UHFFFAOYSA-N 1 2 344.440 1.560 20 30 EDEDLO CS(=O)(=O)CCCO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000103136168 533355500 /nfs/dbraw/zinc/35/55/00/533355500.db2.gz HXZSDBVGYSOTNM-UHFFFAOYSA-N 1 2 340.449 1.144 20 30 EDEDLO COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3C#N)CC[C@@H]21 ZINC000332623449 141217313 /nfs/dbraw/zinc/21/73/13/141217313.db2.gz XJJZZNHNFVZSAH-CVEARBPZSA-N 1 2 348.834 1.826 20 30 EDEDLO COCCN1C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)cc3C#N)CC[C@@H]21 ZINC000332623449 141217314 /nfs/dbraw/zinc/21/73/14/141217314.db2.gz XJJZZNHNFVZSAH-CVEARBPZSA-N 1 2 348.834 1.826 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2sccc2C#N)C1 ZINC000340141594 142279988 /nfs/dbraw/zinc/27/99/88/142279988.db2.gz BNDQFPJVRCOISL-NSHDSACASA-N 1 2 329.385 1.308 20 30 EDEDLO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCCCNC1=O ZINC000369829890 155195596 /nfs/dbraw/zinc/19/55/96/155195596.db2.gz MZQPAHUWNQEJQJ-AWEZNQCLSA-N 1 2 325.372 1.709 20 30 EDEDLO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCCCNC1=O ZINC000369829890 155195601 /nfs/dbraw/zinc/19/56/01/155195601.db2.gz MZQPAHUWNQEJQJ-AWEZNQCLSA-N 1 2 325.372 1.709 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000352671428 149110900 /nfs/dbraw/zinc/11/09/00/149110900.db2.gz NJQMWDTWCWWXJW-TZMCWYRMSA-N 1 2 341.333 1.989 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000352671428 149110903 /nfs/dbraw/zinc/11/09/03/149110903.db2.gz NJQMWDTWCWWXJW-TZMCWYRMSA-N 1 2 341.333 1.989 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC000353180645 149314911 /nfs/dbraw/zinc/31/49/11/149314911.db2.gz KDWJDZKNUPLGGX-QGZVFWFLSA-N 1 2 329.400 1.122 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@H](F)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000353305356 149359232 /nfs/dbraw/zinc/35/92/32/149359232.db2.gz BODRIZDELQQXNC-HIFRSBDPSA-N 1 2 345.378 1.834 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@H](F)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000353305356 149359234 /nfs/dbraw/zinc/35/92/34/149359234.db2.gz BODRIZDELQQXNC-HIFRSBDPSA-N 1 2 345.378 1.834 20 30 EDEDLO CC1(C)NC(=O)N(CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O ZINC000372342860 156343063 /nfs/dbraw/zinc/34/30/63/156343063.db2.gz ZROKMCPTMRLPHZ-OAHLLOKOSA-N 1 2 342.399 1.262 20 30 EDEDLO CC1(C)NC(=O)N(CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O ZINC000372342860 156343068 /nfs/dbraw/zinc/34/30/68/156343068.db2.gz ZROKMCPTMRLPHZ-OAHLLOKOSA-N 1 2 342.399 1.262 20 30 EDEDLO N#Cc1cccc(CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000374276712 157223133 /nfs/dbraw/zinc/22/31/33/157223133.db2.gz DLVJTTWADUTGQX-KRWDZBQOSA-N 1 2 328.416 1.217 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC3CCCCCC3)CC2)cn1 ZINC000374639748 157352962 /nfs/dbraw/zinc/35/29/62/157352962.db2.gz VPIWOCZUKUEXND-UHFFFAOYSA-N 1 2 341.459 1.914 20 30 EDEDLO N#Cc1csc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)n1 ZINC000575400781 306669185 /nfs/dbraw/zinc/66/91/85/306669185.db2.gz WADKTNWKTVYFAM-NSHDSACASA-N 1 2 335.410 1.339 20 30 EDEDLO N#Cc1ccc(C(=O)NCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000378072658 158071731 /nfs/dbraw/zinc/07/17/31/158071731.db2.gz GYEXSZXLPBIUGV-UHFFFAOYSA-N 1 2 337.383 1.417 20 30 EDEDLO N#Cc1ccc(C(=O)NCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378072658 158071732 /nfs/dbraw/zinc/07/17/32/158071732.db2.gz GYEXSZXLPBIUGV-UHFFFAOYSA-N 1 2 337.383 1.417 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(C#N)c1C ZINC000364954972 162344415 /nfs/dbraw/zinc/34/44/15/162344415.db2.gz MLPJWHSPJPEKJN-HUBLWGQQSA-N 1 2 346.456 1.761 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(C#N)c1C ZINC000364954972 162344419 /nfs/dbraw/zinc/34/44/19/162344419.db2.gz MLPJWHSPJPEKJN-HUBLWGQQSA-N 1 2 346.456 1.761 20 30 EDEDLO Cn1nncc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000092704415 287334975 /nfs/dbraw/zinc/33/49/75/287334975.db2.gz XSXQTAWPAQOZFO-UHFFFAOYSA-N 1 2 333.399 1.557 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111295811 287336948 /nfs/dbraw/zinc/33/69/48/287336948.db2.gz YLLPCYCXCHEMSR-ZDUSSCGKSA-N 1 2 332.429 1.645 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111295811 287336951 /nfs/dbraw/zinc/33/69/51/287336951.db2.gz YLLPCYCXCHEMSR-ZDUSSCGKSA-N 1 2 332.429 1.645 20 30 EDEDLO CS(=O)(=O)C[C@H]1CCCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000449527253 269800757 /nfs/dbraw/zinc/80/07/57/269800757.db2.gz HCTXKXWWLHUJCW-CQSZACIVSA-N 1 2 332.429 1.605 20 30 EDEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000277114572 269821796 /nfs/dbraw/zinc/82/17/96/269821796.db2.gz YKBYLJSIVAVPOM-HNNXBMFYSA-N 1 2 327.432 1.476 20 30 EDEDLO COc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1C#N ZINC000154792413 270008775 /nfs/dbraw/zinc/00/87/75/270008775.db2.gz AXQNTZVCVIJJSE-UHFFFAOYSA-N 1 2 328.416 1.615 20 30 EDEDLO N#Cc1ccc2nc(N3CC[NH+](CC(=O)NC4CC4)CC3)ccc2c1 ZINC000301820075 270011476 /nfs/dbraw/zinc/01/14/76/270011476.db2.gz LFZODYIFLVJJKB-UHFFFAOYSA-N 1 2 335.411 1.507 20 30 EDEDLO COc1cc(C[NH+]2CCN(c3nc(N)ns3)CC2)ccc1C#N ZINC000282360147 266812271 /nfs/dbraw/zinc/81/22/71/266812271.db2.gz PSKSOCDMWNCDRT-UHFFFAOYSA-N 1 2 330.417 1.323 20 30 EDEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000301532060 267017430 /nfs/dbraw/zinc/01/74/30/267017430.db2.gz SCNKIJVPKGAXQC-CVEARBPZSA-N 1 2 341.459 1.770 20 30 EDEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000294188704 267019890 /nfs/dbraw/zinc/01/98/90/267019890.db2.gz UNGDFFQDMHJNGF-OCCSQVGLSA-N 1 2 338.371 1.198 20 30 EDEDLO C[C@@H]1C[N@@H+](CCN(C)CC(=O)NCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000279675605 267049793 /nfs/dbraw/zinc/04/97/93/267049793.db2.gz FVZPDJIIFKVURD-IYBDPMFKSA-N 1 2 344.459 1.215 20 30 EDEDLO C[C@@H]1C[N@H+](CCN(C)CC(=O)NCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000279675605 267049794 /nfs/dbraw/zinc/04/97/94/267049794.db2.gz FVZPDJIIFKVURD-IYBDPMFKSA-N 1 2 344.459 1.215 20 30 EDEDLO C[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000280770538 267161301 /nfs/dbraw/zinc/16/13/01/267161301.db2.gz JMSVZKZCIKBCGE-RHSMWYFYSA-N 1 2 326.400 1.077 20 30 EDEDLO C[C@H]([C@H](C)NS(=O)(=O)Cc1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000288324746 267206965 /nfs/dbraw/zinc/20/69/65/267206965.db2.gz LGOVUIBQULRMQL-UONOGXRCSA-N 1 2 337.445 1.087 20 30 EDEDLO CN(C)c1ccc(CNS(=O)(=O)c2ccc(C#N)cc2F)c[nH+]1 ZINC000524149495 267292966 /nfs/dbraw/zinc/29/29/66/267292966.db2.gz UHNSTOKCZKSQCH-UHFFFAOYSA-N 1 2 334.376 1.637 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000288327722 268077804 /nfs/dbraw/zinc/07/78/04/268077804.db2.gz LMTUDVGLAUCVMC-UHFFFAOYSA-N 1 2 330.413 1.991 20 30 EDEDLO N#Cc1ccc(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)nn1 ZINC000301965178 268120222 /nfs/dbraw/zinc/12/02/22/268120222.db2.gz KAPXBBRSBSTYCQ-QGZVFWFLSA-N 1 2 348.410 1.276 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NCc3cccnc3)C2)nc1 ZINC000292309990 268184925 /nfs/dbraw/zinc/18/49/25/268184925.db2.gz VHIMQUTUIHAYJD-INIZCTEOSA-N 1 2 337.383 1.118 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NCc3cccnc3)C2)nc1 ZINC000292309990 268184927 /nfs/dbraw/zinc/18/49/27/268184927.db2.gz VHIMQUTUIHAYJD-INIZCTEOSA-N 1 2 337.383 1.118 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000274702746 268187191 /nfs/dbraw/zinc/18/71/91/268187191.db2.gz QLTHLRRHDQGVDU-UHFFFAOYSA-N 1 2 340.349 1.963 20 30 EDEDLO N#Cc1ccc(CC(=O)N2CCC[N@H+](Cc3cscn3)CC2)cn1 ZINC000528376629 268213963 /nfs/dbraw/zinc/21/39/63/268213963.db2.gz BRGIEUWICFKMFH-UHFFFAOYSA-N 1 2 341.440 1.687 20 30 EDEDLO N#Cc1ccc(CC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)cn1 ZINC000528376629 268213965 /nfs/dbraw/zinc/21/39/65/268213965.db2.gz BRGIEUWICFKMFH-UHFFFAOYSA-N 1 2 341.440 1.687 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(Br)c1 ZINC000412110071 268222166 /nfs/dbraw/zinc/22/21/66/268222166.db2.gz UPUZDQPKMYLDSX-TZMCWYRMSA-N 1 2 325.206 1.496 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(Br)c1 ZINC000412110071 268222167 /nfs/dbraw/zinc/22/21/67/268222167.db2.gz UPUZDQPKMYLDSX-TZMCWYRMSA-N 1 2 325.206 1.496 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(C)nc3scc(C)c32)CC1 ZINC000355442486 275430029 /nfs/dbraw/zinc/43/00/29/275430029.db2.gz KUTUTELQSYUOLX-UHFFFAOYSA-N 1 2 345.472 1.732 20 30 EDEDLO CC#CCCNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000346154908 276930914 /nfs/dbraw/zinc/93/09/14/276930914.db2.gz DXFFKIJUMSKBMF-RHSMWYFYSA-N 1 2 328.416 1.392 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2[nH]c1=S ZINC000178556939 277894108 /nfs/dbraw/zinc/89/41/08/277894108.db2.gz XKIHLVIIJDRZKR-LLVKDONJSA-N 1 2 344.440 1.292 20 30 EDEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343740259 289006533 /nfs/dbraw/zinc/00/65/33/289006533.db2.gz FAQPOZXCZYRRCW-ZYHUDNBSSA-N 1 2 347.362 2.000 20 30 EDEDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343740259 289006536 /nfs/dbraw/zinc/00/65/36/289006536.db2.gz FAQPOZXCZYRRCW-ZYHUDNBSSA-N 1 2 347.362 2.000 20 30 EDEDLO C[C@H](C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1)n1cnc(C#N)n1 ZINC000352784247 289256146 /nfs/dbraw/zinc/25/61/46/289256146.db2.gz NJUDSECWYPTCAC-DOMZBBRYSA-N 1 2 335.371 1.682 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000368840761 303196539 /nfs/dbraw/zinc/19/65/39/303196539.db2.gz GQAVEQMDDSJCAP-UHFFFAOYSA-N 1 2 334.441 1.834 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000368840761 303196541 /nfs/dbraw/zinc/19/65/41/303196541.db2.gz GQAVEQMDDSJCAP-UHFFFAOYSA-N 1 2 334.441 1.834 20 30 EDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000448706533 447345616 /nfs/dbraw/zinc/34/56/16/447345616.db2.gz GYWRHHASERHESA-ZXTQRBJTSA-N 1 2 328.416 1.861 20 30 EDEDLO C=CCCOCCNC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000378277300 447413510 /nfs/dbraw/zinc/41/35/10/447413510.db2.gz LLIGFPJJPGYVAU-UHFFFAOYSA-N 1 2 335.452 1.230 20 30 EDEDLO C=CCCOCCNC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000378277300 447413514 /nfs/dbraw/zinc/41/35/14/447413514.db2.gz LLIGFPJJPGYVAU-UHFFFAOYSA-N 1 2 335.452 1.230 20 30 EDEDLO C=CCCOCCNC(=O)N1CCC[N@H+](Cc2nccn2C)CC1 ZINC000378277300 447413519 /nfs/dbraw/zinc/41/35/19/447413519.db2.gz LLIGFPJJPGYVAU-UHFFFAOYSA-N 1 2 335.452 1.230 20 30 EDEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000057431258 441114643 /nfs/dbraw/zinc/11/46/43/441114643.db2.gz UHJCDEUCIIXXKQ-UHFFFAOYSA-N 1 2 334.464 1.519 20 30 EDEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000057431258 441114648 /nfs/dbraw/zinc/11/46/48/441114648.db2.gz UHJCDEUCIIXXKQ-UHFFFAOYSA-N 1 2 334.464 1.519 20 30 EDEDLO CCN1C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000046148436 441086247 /nfs/dbraw/zinc/08/62/47/441086247.db2.gz MIHASBBWCFXWEQ-QGZVFWFLSA-N 1 2 340.427 1.071 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000057844926 441138122 /nfs/dbraw/zinc/13/81/22/441138122.db2.gz JWUXIXXGGBEHTQ-AWEZNQCLSA-N 1 2 345.369 1.932 20 30 EDEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000058340386 441181708 /nfs/dbraw/zinc/18/17/08/441181708.db2.gz FRNUIIUCJBIVFV-UHFFFAOYSA-N 1 2 343.399 1.965 20 30 EDEDLO CO/N=C/c1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000080913071 441206994 /nfs/dbraw/zinc/20/69/94/441206994.db2.gz FOPMWROWBOZIJS-AMRJIULGSA-N 1 2 331.416 1.604 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)nc1 ZINC000060481823 441246481 /nfs/dbraw/zinc/24/64/81/441246481.db2.gz JUOBXUVLJHAAGQ-UHFFFAOYSA-N 1 2 327.432 1.524 20 30 EDEDLO N#Cc1cccc(NC(=O)CN2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000072767974 441257322 /nfs/dbraw/zinc/25/73/22/441257322.db2.gz OJSIFLKYXRQQDN-QGZVFWFLSA-N 1 2 328.416 1.293 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000105818747 441277972 /nfs/dbraw/zinc/27/79/72/441277972.db2.gz JMZBLDXJNPQCFR-CQSZACIVSA-N 1 2 326.400 1.396 20 30 EDEDLO CC1CCN(C(=O)C[NH+]2CCN(c3ncccc3C#N)CC2)CC1 ZINC000073108214 441294463 /nfs/dbraw/zinc/29/44/63/441294463.db2.gz DSXJYHXJNDFPAH-UHFFFAOYSA-N 1 2 327.432 1.334 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000083243644 441357101 /nfs/dbraw/zinc/35/71/01/441357101.db2.gz MHJXUYYVRPBZEB-UHFFFAOYSA-N 1 2 329.444 1.456 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000083243644 441357106 /nfs/dbraw/zinc/35/71/06/441357106.db2.gz MHJXUYYVRPBZEB-UHFFFAOYSA-N 1 2 329.444 1.456 20 30 EDEDLO CC[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)C[C@@H](C)C#N ZINC000049982349 441368181 /nfs/dbraw/zinc/36/81/81/441368181.db2.gz MSVHNWGNEHNDOP-NSHDSACASA-N 1 2 332.360 1.545 20 30 EDEDLO CC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)C[C@@H](C)C#N ZINC000049982349 441368184 /nfs/dbraw/zinc/36/81/84/441368184.db2.gz MSVHNWGNEHNDOP-NSHDSACASA-N 1 2 332.360 1.545 20 30 EDEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000027947799 441419360 /nfs/dbraw/zinc/41/93/60/441419360.db2.gz ZCKROWXCWXBJSR-MRXNPFEDSA-N 1 2 329.444 1.341 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000027947799 441419363 /nfs/dbraw/zinc/41/93/63/441419363.db2.gz ZCKROWXCWXBJSR-MRXNPFEDSA-N 1 2 329.444 1.341 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051148222 441400311 /nfs/dbraw/zinc/40/03/11/441400311.db2.gz GOCHMVNTYFMORI-UHFFFAOYSA-N 1 2 332.404 1.323 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[NH2+]C3(C(N)=O)CCCCC3)o2)c1 ZINC000088545652 441512737 /nfs/dbraw/zinc/51/27/37/441512737.db2.gz BAUPWLUEXPJZDK-UHFFFAOYSA-N 1 2 325.372 1.886 20 30 EDEDLO N#CCCCS(=O)(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000111327237 441534007 /nfs/dbraw/zinc/53/40/07/441534007.db2.gz AJJBDAGRLVLADS-UHFFFAOYSA-N 1 2 332.429 1.697 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000053685881 441536587 /nfs/dbraw/zinc/53/65/87/441536587.db2.gz OCABSEZNHMPSNB-UHFFFAOYSA-N 1 2 347.465 1.956 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000053685881 441536591 /nfs/dbraw/zinc/53/65/91/441536591.db2.gz OCABSEZNHMPSNB-UHFFFAOYSA-N 1 2 347.465 1.956 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000088305214 441503520 /nfs/dbraw/zinc/50/35/20/441503520.db2.gz QUBYUASIFYPVQV-KRWDZBQOSA-N 1 2 339.439 1.193 20 30 EDEDLO CC(C)OC(=O)CC[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000075768161 441554797 /nfs/dbraw/zinc/55/47/97/441554797.db2.gz XLRXSQJRCIADLY-UHFFFAOYSA-N 1 2 329.400 1.544 20 30 EDEDLO CC(C)OC(=O)CC[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000075768161 441554798 /nfs/dbraw/zinc/55/47/98/441554798.db2.gz XLRXSQJRCIADLY-UHFFFAOYSA-N 1 2 329.400 1.544 20 30 EDEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000113001754 441577387 /nfs/dbraw/zinc/57/73/87/441577387.db2.gz HKIWBLRTXXRYFW-ZFWWWQNUSA-N 1 2 340.445 1.053 20 30 EDEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000113001754 441577391 /nfs/dbraw/zinc/57/73/91/441577391.db2.gz HKIWBLRTXXRYFW-ZFWWWQNUSA-N 1 2 340.445 1.053 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000076381227 441638589 /nfs/dbraw/zinc/63/85/89/441638589.db2.gz FBBSMIISCFSSFX-LLVKDONJSA-N 1 2 334.445 1.842 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000076381227 441638594 /nfs/dbraw/zinc/63/85/94/441638594.db2.gz FBBSMIISCFSSFX-LLVKDONJSA-N 1 2 334.445 1.842 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCN2CCOCC2)c(C#N)c1C ZINC000114463765 441659603 /nfs/dbraw/zinc/65/96/03/441659603.db2.gz UOUGEMNWDITUDD-CYBMUJFWSA-N 1 2 334.420 1.359 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCN2CCOCC2)c(C#N)c1C ZINC000114463765 441659606 /nfs/dbraw/zinc/65/96/06/441659606.db2.gz UOUGEMNWDITUDD-CYBMUJFWSA-N 1 2 334.420 1.359 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000114731447 441679985 /nfs/dbraw/zinc/67/99/85/441679985.db2.gz ILYRYENARSCSNM-UHFFFAOYSA-N 1 2 337.370 1.415 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000114731447 441679989 /nfs/dbraw/zinc/67/99/89/441679989.db2.gz ILYRYENARSCSNM-UHFFFAOYSA-N 1 2 337.370 1.415 20 30 EDEDLO C[C@H]1C[C@H](C)CN(C(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)C1 ZINC000158215236 441706674 /nfs/dbraw/zinc/70/66/74/441706674.db2.gz XLCPEXNHCWHZPE-STQMWFEESA-N 1 2 331.416 1.763 20 30 EDEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000122041534 441831507 /nfs/dbraw/zinc/83/15/07/441831507.db2.gz WJRSYWQWIVOOMW-GJZGRUSLSA-N 1 2 343.399 1.933 20 30 EDEDLO C[N@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000122041534 441831514 /nfs/dbraw/zinc/83/15/14/441831514.db2.gz WJRSYWQWIVOOMW-GJZGRUSLSA-N 1 2 343.399 1.933 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000122252817 441842631 /nfs/dbraw/zinc/84/26/31/441842631.db2.gz LDCWAWJPTOBRIT-UHFFFAOYSA-N 1 2 325.815 1.899 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000118835400 441905428 /nfs/dbraw/zinc/90/54/28/441905428.db2.gz HAPPEHQTDNBWKS-VQIMIIECSA-N 1 2 343.475 1.815 20 30 EDEDLO Cc1cc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)on1 ZINC000078366730 441925183 /nfs/dbraw/zinc/92/51/83/441925183.db2.gz ATTJAZKBUIKBSK-UHFFFAOYSA-N 1 2 328.332 1.480 20 30 EDEDLO C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000093706825 441893248 /nfs/dbraw/zinc/89/32/48/441893248.db2.gz DFQCBCBTBUWRMW-OAHLLOKOSA-N 1 2 330.432 1.061 20 30 EDEDLO CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000378577811 447443984 /nfs/dbraw/zinc/44/39/84/447443984.db2.gz KLKWBANKBQYVSW-CVEARBPZSA-N 1 2 325.453 1.937 20 30 EDEDLO CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000378577811 447443987 /nfs/dbraw/zinc/44/39/87/447443987.db2.gz KLKWBANKBQYVSW-CVEARBPZSA-N 1 2 325.453 1.937 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccn(C2CCCC2)n1 ZINC000151228438 442028799 /nfs/dbraw/zinc/02/87/99/442028799.db2.gz ADFPGEQEGPGVMQ-UHFFFAOYSA-N 1 2 345.447 1.686 20 30 EDEDLO N#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000151383727 442053720 /nfs/dbraw/zinc/05/37/20/442053720.db2.gz SATNJMXCQYAWAZ-MRXNPFEDSA-N 1 2 336.351 1.572 20 30 EDEDLO CCN(CC#N)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000121066191 442172412 /nfs/dbraw/zinc/17/24/12/442172412.db2.gz NRGIRJYXOYLSAW-UHFFFAOYSA-N 1 2 344.463 1.403 20 30 EDEDLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000152008547 442153474 /nfs/dbraw/zinc/15/34/74/442153474.db2.gz VWWXYFGDQJYEAT-UHFFFAOYSA-N 1 2 335.360 1.934 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2O[C@H]2CCOC2)CC1 ZINC000127570416 442213009 /nfs/dbraw/zinc/21/30/09/442213009.db2.gz ONEUFMKBOWGLKI-INIZCTEOSA-N 1 2 343.427 1.044 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2cccnn2)CC1)C1(C#N)CCCCC1 ZINC000170650199 442242113 /nfs/dbraw/zinc/24/21/13/442242113.db2.gz HXJCNWLKTVRJAT-UHFFFAOYSA-N 1 2 342.447 1.283 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000170812190 442267687 /nfs/dbraw/zinc/26/76/87/442267687.db2.gz YRAVQRUGXGDYMM-HOCLYGCPSA-N 1 2 328.416 1.292 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000170812190 442267689 /nfs/dbraw/zinc/26/76/89/442267689.db2.gz YRAVQRUGXGDYMM-HOCLYGCPSA-N 1 2 328.416 1.292 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000170812190 442267693 /nfs/dbraw/zinc/26/76/93/442267693.db2.gz YRAVQRUGXGDYMM-HOCLYGCPSA-N 1 2 328.416 1.292 20 30 EDEDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000177118022 442299817 /nfs/dbraw/zinc/29/98/17/442299817.db2.gz BLGVJQDRZSKKMR-UHFFFAOYSA-N 1 2 343.399 1.799 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000178556602 442444007 /nfs/dbraw/zinc/44/40/07/442444007.db2.gz HBOWSSVJJDKXPG-HNNXBMFYSA-N 1 2 332.404 1.024 20 30 EDEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000180094287 442540196 /nfs/dbraw/zinc/54/01/96/442540196.db2.gz TYURQBVKEUZBJT-GJZGRUSLSA-N 1 2 345.447 1.735 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000186812165 442616283 /nfs/dbraw/zinc/61/62/83/442616283.db2.gz LHXDQFZRYRTYEI-UHFFFAOYSA-N 1 2 327.428 1.771 20 30 EDEDLO C#CC[N@@H+](C)CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000192232064 442619379 /nfs/dbraw/zinc/61/93/79/442619379.db2.gz ZIAABABACQMGON-MRXNPFEDSA-N 1 2 327.384 1.423 20 30 EDEDLO C#CC[N@H+](C)CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000192232064 442619384 /nfs/dbraw/zinc/61/93/84/442619384.db2.gz ZIAABABACQMGON-MRXNPFEDSA-N 1 2 327.384 1.423 20 30 EDEDLO C#CC[N@@H+](C)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000192232064 442619387 /nfs/dbraw/zinc/61/93/87/442619387.db2.gz ZIAABABACQMGON-MRXNPFEDSA-N 1 2 327.384 1.423 20 30 EDEDLO C#CC[N@H+](C)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000192232064 442619391 /nfs/dbraw/zinc/61/93/91/442619391.db2.gz ZIAABABACQMGON-MRXNPFEDSA-N 1 2 327.384 1.423 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000192237491 442620668 /nfs/dbraw/zinc/62/06/68/442620668.db2.gz VLDWAHCFCUSWKO-UHFFFAOYSA-N 1 2 331.391 1.242 20 30 EDEDLO C#CC[N@H+](C)CC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000192237491 442620672 /nfs/dbraw/zinc/62/06/72/442620672.db2.gz VLDWAHCFCUSWKO-UHFFFAOYSA-N 1 2 331.391 1.242 20 30 EDEDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C(N)=O)C1 ZINC000187414978 442675645 /nfs/dbraw/zinc/67/56/45/442675645.db2.gz WSFMANSAUYSRJL-RISCZKNCSA-N 1 2 325.372 1.694 20 30 EDEDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C(N)=O)C1 ZINC000187414978 442675646 /nfs/dbraw/zinc/67/56/46/442675646.db2.gz WSFMANSAUYSRJL-RISCZKNCSA-N 1 2 325.372 1.694 20 30 EDEDLO CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000192710357 442679215 /nfs/dbraw/zinc/67/92/15/442679215.db2.gz CTKZAGUDFVJGHV-UHFFFAOYSA-N 1 2 325.372 1.439 20 30 EDEDLO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193771402 442783728 /nfs/dbraw/zinc/78/37/28/442783728.db2.gz MQAAFNOZVNIPNI-HOTGVXAUSA-N 1 2 341.459 1.865 20 30 EDEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc([S@@](C)=O)cc1 ZINC000246831895 442816574 /nfs/dbraw/zinc/81/65/74/442816574.db2.gz BDRXGPDZYDXOPO-UZUQRXQVSA-N 1 2 333.457 1.664 20 30 EDEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc([S@@](C)=O)cc1 ZINC000246831895 442816578 /nfs/dbraw/zinc/81/65/78/442816578.db2.gz BDRXGPDZYDXOPO-UZUQRXQVSA-N 1 2 333.457 1.664 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000248775686 442925322 /nfs/dbraw/zinc/92/53/22/442925322.db2.gz BCUYLVFFCYGFDX-UXLLHSPISA-N 1 2 347.459 1.945 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000248775686 442925323 /nfs/dbraw/zinc/92/53/23/442925323.db2.gz BCUYLVFFCYGFDX-UXLLHSPISA-N 1 2 347.459 1.945 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)CCO1 ZINC000189380953 442933954 /nfs/dbraw/zinc/93/39/54/442933954.db2.gz RWFRNBKPXAYIIN-UHFFFAOYSA-N 1 2 327.428 1.817 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)C2(c3ccc(C#N)cc3)CC2)CCO1 ZINC000189380953 442933956 /nfs/dbraw/zinc/93/39/56/442933956.db2.gz RWFRNBKPXAYIIN-UHFFFAOYSA-N 1 2 327.428 1.817 20 30 EDEDLO C[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)[NH+]1CCSCC1 ZINC000183654788 442950015 /nfs/dbraw/zinc/95/00/15/442950015.db2.gz KWPYZQBHABPZFW-GFCCVEGCSA-N 1 2 342.428 1.515 20 30 EDEDLO N#Cc1ccccc1OCC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000268325067 442947769 /nfs/dbraw/zinc/94/77/69/442947769.db2.gz VKHGMZXIGAURSV-UHFFFAOYSA-N 1 2 330.417 1.193 20 30 EDEDLO N#Cc1ccc(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000194872060 442964120 /nfs/dbraw/zinc/96/41/20/442964120.db2.gz HTNISWNEQSLTNJ-GOSISDBHSA-N 1 2 345.468 1.425 20 30 EDEDLO CCC[C@@H]1C[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CCO1 ZINC000183973895 442979589 /nfs/dbraw/zinc/97/95/89/442979589.db2.gz KROFFNKGBDFBAN-DLBZAZTESA-N 1 2 337.464 1.656 20 30 EDEDLO C=C(C)CS(=O)(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000184323655 443012163 /nfs/dbraw/zinc/01/21/63/443012163.db2.gz OZUYFQQBYBOPRD-UHFFFAOYSA-N 1 2 338.477 1.936 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000268518026 443018402 /nfs/dbraw/zinc/01/84/02/443018402.db2.gz VZNJPSBQPBVFOU-YJBOKZPZSA-N 1 2 334.464 1.781 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000268518026 443018406 /nfs/dbraw/zinc/01/84/06/443018406.db2.gz VZNJPSBQPBVFOU-YJBOKZPZSA-N 1 2 334.464 1.781 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000253373661 443050875 /nfs/dbraw/zinc/05/08/75/443050875.db2.gz JTZJDBUGCXZIRR-CYBMUJFWSA-N 1 2 330.407 1.482 20 30 EDEDLO Cc1cc(N2CC[C@H](O[NH+]=C(N)[C@H](C)OCC(C)C)C2=O)n(C)n1 ZINC000266191777 443051834 /nfs/dbraw/zinc/05/18/34/443051834.db2.gz IQNVTGUEOQOYEA-STQMWFEESA-N 1 2 337.424 1.184 20 30 EDEDLO CSc1ccc(OCCO[NH+]=C(N)CN2CCOCC2)cc1 ZINC000266335245 443100457 /nfs/dbraw/zinc/10/04/57/443100457.db2.gz UERMCGITSOYATP-UHFFFAOYSA-N 1 2 325.434 1.408 20 30 EDEDLO C#CCN(CC#C)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000190440286 443109333 /nfs/dbraw/zinc/10/93/33/443109333.db2.gz ZAURLKUZDZANAK-UHFFFAOYSA-N 1 2 333.347 1.907 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000263685105 443236560 /nfs/dbraw/zinc/23/65/60/443236560.db2.gz JWUXCWWGDASCQP-OAHLLOKOSA-N 1 2 331.416 1.884 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000263685105 443236563 /nfs/dbraw/zinc/23/65/63/443236563.db2.gz JWUXCWWGDASCQP-OAHLLOKOSA-N 1 2 331.416 1.884 20 30 EDEDLO C[C@@H](c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)n1cnc(C#N)n1 ZINC000350324353 319047154 /nfs/dbraw/zinc/04/71/54/319047154.db2.gz SVJXYCBJDAWGRN-QJPTWQEYSA-N 1 2 329.364 1.068 20 30 EDEDLO C[C@@H](c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)n1cnc(C#N)n1 ZINC000350324353 319047156 /nfs/dbraw/zinc/04/71/56/319047156.db2.gz SVJXYCBJDAWGRN-QJPTWQEYSA-N 1 2 329.364 1.068 20 30 EDEDLO CN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1[nH+]ccn1CC(F)(F)F ZINC000264107963 443248613 /nfs/dbraw/zinc/24/86/13/443248613.db2.gz SOLJIXBMTPBBDF-AWEZNQCLSA-N 1 2 343.353 1.686 20 30 EDEDLO C[C@H](NC(=O)Nc1cccc(OCC#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000264213625 443254897 /nfs/dbraw/zinc/25/48/97/443254897.db2.gz HTDMBZPCRGDFDW-KBPBESRZSA-N 1 2 332.404 1.820 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000264190419 443255122 /nfs/dbraw/zinc/25/51/22/443255122.db2.gz QJRVGCZIMSVOJD-UHFFFAOYSA-N 1 2 347.846 1.166 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000264190419 443255126 /nfs/dbraw/zinc/25/51/26/443255126.db2.gz QJRVGCZIMSVOJD-UHFFFAOYSA-N 1 2 347.846 1.166 20 30 EDEDLO CN(C)c1ncc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cn1 ZINC000269366612 443294986 /nfs/dbraw/zinc/29/49/86/443294986.db2.gz RDSJUNNXCYCNCZ-GOSISDBHSA-N 1 2 336.443 1.925 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)N(C)C[C@H](C)C#N ZINC000282754558 443424896 /nfs/dbraw/zinc/42/48/96/443424896.db2.gz GPWIJKGBICDFSQ-CYBMUJFWSA-N 1 2 349.460 1.661 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000278766128 443431364 /nfs/dbraw/zinc/43/13/64/443431364.db2.gz GILAGAWXQXJZFV-HKUYNNGSSA-N 1 2 332.444 1.812 20 30 EDEDLO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1C#N ZINC000269769728 443433333 /nfs/dbraw/zinc/43/33/33/443433333.db2.gz BTVISJHZDNNRGX-AWEZNQCLSA-N 1 2 332.360 1.396 20 30 EDEDLO CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1C#N ZINC000269769728 443433337 /nfs/dbraw/zinc/43/33/37/443433337.db2.gz BTVISJHZDNNRGX-AWEZNQCLSA-N 1 2 332.360 1.396 20 30 EDEDLO CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000272653415 443397888 /nfs/dbraw/zinc/39/78/88/443397888.db2.gz HIWRTGZKINYKBU-UHFFFAOYSA-N 1 2 337.383 1.963 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000264746225 443402700 /nfs/dbraw/zinc/40/27/00/443402700.db2.gz JHAIJUJVEFELTF-MRXNPFEDSA-N 1 2 329.448 1.855 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000264746225 443402703 /nfs/dbraw/zinc/40/27/03/443402703.db2.gz JHAIJUJVEFELTF-MRXNPFEDSA-N 1 2 329.448 1.855 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(c3nc4ccccn4c3C#N)CC2)S1 ZINC000272892568 443481771 /nfs/dbraw/zinc/48/17/71/443481771.db2.gz KBKPRIXMRQJISL-GFCCVEGCSA-N 1 2 326.429 1.819 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2(O)CCCC2)CC1=O ZINC000269801676 443446673 /nfs/dbraw/zinc/44/66/73/443446673.db2.gz DFCHNTGUZCQBAA-UHFFFAOYSA-N 1 2 340.427 1.951 20 30 EDEDLO C=CCNC(=O)c1ccc(N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)nc1 ZINC000278820230 443451835 /nfs/dbraw/zinc/45/18/35/443451835.db2.gz TWFPXUMMXLTUFI-KRWDZBQOSA-N 1 2 344.459 1.544 20 30 EDEDLO C=CCNC(=O)c1ccc(N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC000278820230 443451836 /nfs/dbraw/zinc/45/18/36/443451836.db2.gz TWFPXUMMXLTUFI-KRWDZBQOSA-N 1 2 344.459 1.544 20 30 EDEDLO COC(=O)c1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000271291297 443499415 /nfs/dbraw/zinc/49/94/15/443499415.db2.gz CFFHBUQQUIEZOR-CYBMUJFWSA-N 1 2 329.400 1.592 20 30 EDEDLO COC(=O)c1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000271291297 443499417 /nfs/dbraw/zinc/49/94/17/443499417.db2.gz CFFHBUQQUIEZOR-CYBMUJFWSA-N 1 2 329.400 1.592 20 30 EDEDLO C=CC[N@@H+](CC(=O)Nc1cc(-n2nnnc2C)ccc1F)C1CC1 ZINC000271329159 443500779 /nfs/dbraw/zinc/50/07/79/443500779.db2.gz AHMZSLJFYFOODB-UHFFFAOYSA-N 1 2 330.367 1.699 20 30 EDEDLO C=CC[N@H+](CC(=O)Nc1cc(-n2nnnc2C)ccc1F)C1CC1 ZINC000271329159 443500784 /nfs/dbraw/zinc/50/07/84/443500784.db2.gz AHMZSLJFYFOODB-UHFFFAOYSA-N 1 2 330.367 1.699 20 30 EDEDLO C=CCN(C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)C1CC1 ZINC000271618828 443506921 /nfs/dbraw/zinc/50/69/21/443506921.db2.gz YCCPXJIGOZMWCB-CQSZACIVSA-N 1 2 330.436 1.847 20 30 EDEDLO C=CCN(C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)C1CC1 ZINC000271618828 443506926 /nfs/dbraw/zinc/50/69/26/443506926.db2.gz YCCPXJIGOZMWCB-CQSZACIVSA-N 1 2 330.436 1.847 20 30 EDEDLO Cc1cc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)nn1CCC#N ZINC000272116671 443531882 /nfs/dbraw/zinc/53/18/82/443531882.db2.gz RLHMJZLWFQTZRA-UHFFFAOYSA-N 1 2 334.424 1.338 20 30 EDEDLO Cc1cc(NC(=O)NCC[N@H+]2CCOCC2(C)C)nn1CCC#N ZINC000272116671 443531886 /nfs/dbraw/zinc/53/18/86/443531886.db2.gz RLHMJZLWFQTZRA-UHFFFAOYSA-N 1 2 334.424 1.338 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000265103322 443533729 /nfs/dbraw/zinc/53/37/29/443533729.db2.gz FOKDWTIMWZEXRO-UHFFFAOYSA-N 1 2 330.413 1.806 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000273358022 443567137 /nfs/dbraw/zinc/56/71/37/443567137.db2.gz DRUZYZIVJOZGHG-SWLSCSKDSA-N 1 2 332.379 1.885 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CSc1ccc(C#N)cc1 ZINC000279403309 443578267 /nfs/dbraw/zinc/57/82/67/443578267.db2.gz WIAXMEISRNHNSJ-AWEZNQCLSA-N 1 2 333.457 1.829 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 ZINC000272179794 443549481 /nfs/dbraw/zinc/54/94/81/443549481.db2.gz ITWNBDICOIUFTQ-UHFFFAOYSA-N 1 2 348.255 1.718 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1)OCC ZINC000275678544 443638031 /nfs/dbraw/zinc/63/80/31/443638031.db2.gz MAFINCDMZLRFNP-HUUCEWRRSA-N 1 2 347.463 1.463 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1)OCC ZINC000275678544 443638034 /nfs/dbraw/zinc/63/80/34/443638034.db2.gz MAFINCDMZLRFNP-HUUCEWRRSA-N 1 2 347.463 1.463 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000274151417 443595814 /nfs/dbraw/zinc/59/58/14/443595814.db2.gz KYFRUZYWWOCBKE-UHFFFAOYSA-N 1 2 327.428 1.441 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000274151417 443595817 /nfs/dbraw/zinc/59/58/17/443595817.db2.gz KYFRUZYWWOCBKE-UHFFFAOYSA-N 1 2 327.428 1.441 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)C2=Cc3ccccc3OCC2)CC1 ZINC000274667712 443609427 /nfs/dbraw/zinc/60/94/27/443609427.db2.gz XBRUVTHLVWZFMH-UHFFFAOYSA-N 1 2 346.452 1.781 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000275891906 443646310 /nfs/dbraw/zinc/64/63/10/443646310.db2.gz HSSGDWFFPIGVPL-HNNXBMFYSA-N 1 2 346.435 1.371 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000275891906 443646313 /nfs/dbraw/zinc/64/63/13/443646313.db2.gz HSSGDWFFPIGVPL-HNNXBMFYSA-N 1 2 346.435 1.371 20 30 EDEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000280125786 443668442 /nfs/dbraw/zinc/66/84/42/443668442.db2.gz VLVGAFZAMODNNQ-CYBMUJFWSA-N 1 2 337.420 1.254 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000283768335 443712826 /nfs/dbraw/zinc/71/28/26/443712826.db2.gz CLXXUGWNMIEWMK-STQMWFEESA-N 1 2 325.372 1.137 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286682390 443720564 /nfs/dbraw/zinc/72/05/64/443720564.db2.gz AGTNIBWSQSTHPP-CQSZACIVSA-N 1 2 338.205 1.133 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000286682390 443720566 /nfs/dbraw/zinc/72/05/66/443720566.db2.gz AGTNIBWSQSTHPP-CQSZACIVSA-N 1 2 338.205 1.133 20 30 EDEDLO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000286717530 443722327 /nfs/dbraw/zinc/72/23/27/443722327.db2.gz CFAXHSJTVFICAJ-UONOGXRCSA-N 1 2 325.206 1.902 20 30 EDEDLO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000286717530 443722331 /nfs/dbraw/zinc/72/23/31/443722331.db2.gz CFAXHSJTVFICAJ-UONOGXRCSA-N 1 2 325.206 1.902 20 30 EDEDLO CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292360336 443791719 /nfs/dbraw/zinc/79/17/19/443791719.db2.gz XZPCBYDOEYLHLH-OAHLLOKOSA-N 1 2 337.445 1.620 20 30 EDEDLO CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292360336 443791722 /nfs/dbraw/zinc/79/17/22/443791722.db2.gz XZPCBYDOEYLHLH-OAHLLOKOSA-N 1 2 337.445 1.620 20 30 EDEDLO N#CCCCCNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000284945243 443794562 /nfs/dbraw/zinc/79/45/62/443794562.db2.gz HKUGPMJWDYBKQQ-UHFFFAOYSA-N 1 2 325.372 1.299 20 30 EDEDLO C=C(C)CS(=O)(=O)N[C@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000284406025 443773623 /nfs/dbraw/zinc/77/36/23/443773623.db2.gz BFITVFNLTQIRJT-AWEZNQCLSA-N 1 2 327.450 1.866 20 30 EDEDLO CCS(=O)(=O)CCCCCO[NH+]=C(N)COc1ccccc1 ZINC000276636895 443773716 /nfs/dbraw/zinc/77/37/16/443773716.db2.gz VTGRXBDXQJZFOS-UHFFFAOYSA-N 1 2 328.434 1.959 20 30 EDEDLO C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292165879 443779831 /nfs/dbraw/zinc/77/98/31/443779831.db2.gz LLBPFKWIASWXRE-WCQYABFASA-N 1 2 343.412 1.890 20 30 EDEDLO C[C@@H](C(=O)Nc1nccs1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292165879 443779835 /nfs/dbraw/zinc/77/98/35/443779835.db2.gz LLBPFKWIASWXRE-WCQYABFASA-N 1 2 343.412 1.890 20 30 EDEDLO C=CCCCS(=O)(=O)N(C)c1ccc(N2CCOCC2)[nH+]c1 ZINC000292724731 443827752 /nfs/dbraw/zinc/82/77/52/443827752.db2.gz URUUUIBBYKOSMV-UHFFFAOYSA-N 1 2 325.434 1.650 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000292771128 443839173 /nfs/dbraw/zinc/83/91/73/443839173.db2.gz LEKZHSSQPBSNKB-UHFFFAOYSA-N 1 2 349.438 1.977 20 30 EDEDLO CC(=O)NCC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000298712902 443846313 /nfs/dbraw/zinc/84/63/13/443846313.db2.gz AZEDJLKEGAKMAR-GFCCVEGCSA-N 1 2 346.431 1.943 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)c1cc(C#N)c[nH]1 ZINC000281261170 443863096 /nfs/dbraw/zinc/86/30/96/443863096.db2.gz QPQXCRJEGNWSIK-KBPBESRZSA-N 1 2 344.394 1.304 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccccc2)C1=O ZINC000281403523 443901851 /nfs/dbraw/zinc/90/18/51/443901851.db2.gz QRJDPYAAMAQHTM-UXLLHSPISA-N 1 2 329.444 1.971 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccccc2)C1=O ZINC000281403523 443901854 /nfs/dbraw/zinc/90/18/54/443901854.db2.gz QRJDPYAAMAQHTM-UXLLHSPISA-N 1 2 329.444 1.971 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2COC[C@H]2O)cc1C ZINC000285594691 444041364 /nfs/dbraw/zinc/04/13/64/444041364.db2.gz PEEDQINSSQIEBG-IAGOWNOFSA-N 1 2 331.416 1.242 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2COC[C@H]2O)cc1C ZINC000285594691 444041367 /nfs/dbraw/zinc/04/13/67/444041367.db2.gz PEEDQINSSQIEBG-IAGOWNOFSA-N 1 2 331.416 1.242 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ncnc4ccsc43)CC2)C1=O ZINC000282007448 444061618 /nfs/dbraw/zinc/06/16/18/444061618.db2.gz OBIVYTAOBWQOLA-CQSZACIVSA-N 1 2 343.456 1.600 20 30 EDEDLO COC(=O)c1ccc(N2CC[NH+](Cc3cccnc3)CC2)c(C#N)n1 ZINC000564239972 321123939 /nfs/dbraw/zinc/12/39/39/321123939.db2.gz QQGWELNKUSGPLR-UHFFFAOYSA-N 1 2 337.383 1.457 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1C#N ZINC000567686212 321252109 /nfs/dbraw/zinc/25/21/09/321252109.db2.gz CTBYGBYNXOQNKJ-AWEZNQCLSA-N 1 2 344.415 1.580 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1C#N ZINC000567686212 321252110 /nfs/dbraw/zinc/25/21/10/321252110.db2.gz CTBYGBYNXOQNKJ-AWEZNQCLSA-N 1 2 344.415 1.580 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)C(C)C ZINC000282355598 444155974 /nfs/dbraw/zinc/15/59/74/444155974.db2.gz VUBGWACNUTZPBB-ZBFHGGJFSA-N 1 2 330.432 1.764 20 30 EDEDLO COC(=O)CC1(C[NH+]2CCN(c3snc(C)c3C#N)CC2)CC1 ZINC000289564948 444172905 /nfs/dbraw/zinc/17/29/05/444172905.db2.gz VHCLRCJXBWDQEF-UHFFFAOYSA-N 1 2 334.445 1.789 20 30 EDEDLO C=CCNC(=O)C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295387779 444181622 /nfs/dbraw/zinc/18/16/22/444181622.db2.gz RFWFGQSZSFYFNB-CYBMUJFWSA-N 1 2 327.222 1.717 20 30 EDEDLO C=CCNC(=O)C[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295387779 444181623 /nfs/dbraw/zinc/18/16/23/444181623.db2.gz RFWFGQSZSFYFNB-CYBMUJFWSA-N 1 2 327.222 1.717 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCOC[C@H](O)C1)c1cccc(Cl)c1 ZINC000295479033 444185900 /nfs/dbraw/zinc/18/59/00/444185900.db2.gz GMIOVVJLZWGPIY-OAHLLOKOSA-N 1 2 337.807 1.280 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCOC[C@H](O)C1)c1cccc(Cl)c1 ZINC000295479033 444185902 /nfs/dbraw/zinc/18/59/02/444185902.db2.gz GMIOVVJLZWGPIY-OAHLLOKOSA-N 1 2 337.807 1.280 20 30 EDEDLO C[C@@H](C(N)=O)[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301784651 444190184 /nfs/dbraw/zinc/19/01/84/444190184.db2.gz OWSYZMBJBXQHQI-JTQLQIEISA-N 1 2 326.322 1.573 20 30 EDEDLO C[C@@H](CNc1ncc(Br)cc1C#N)[NH+]1CCOCC1 ZINC000296574146 444239047 /nfs/dbraw/zinc/23/90/47/444239047.db2.gz QQEFPZMHHVQYKA-JTQLQIEISA-N 1 2 325.210 1.848 20 30 EDEDLO C[N@H+](CCc1ccccn1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290127396 444245767 /nfs/dbraw/zinc/24/57/67/444245767.db2.gz ZHCNPNJHCVQHLF-UHFFFAOYSA-N 1 2 330.413 1.296 20 30 EDEDLO C[N@@H+](CCc1ccccn1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290127396 444245769 /nfs/dbraw/zinc/24/57/69/444245769.db2.gz ZHCNPNJHCVQHLF-UHFFFAOYSA-N 1 2 330.413 1.296 20 30 EDEDLO CC(=O)N1CC[C@H](CN(C)C(=O)NCc2cn3ccc(C)cc3[nH+]2)C1 ZINC000328802649 444358084 /nfs/dbraw/zinc/35/80/84/444358084.db2.gz CGTFNMMBOPBJNL-OAHLLOKOSA-N 1 2 343.431 1.857 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCCOCC(F)(F)F)CCN1C ZINC000331024741 444363238 /nfs/dbraw/zinc/36/32/38/444363238.db2.gz NZTCPPKAAUBBGN-LLVKDONJSA-N 1 2 349.357 1.202 20 30 EDEDLO O=C(N[C@@H]1CCCC12CCOCC2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000328830751 444367606 /nfs/dbraw/zinc/36/76/06/444367606.db2.gz RERXAJAXFATZGV-HZPDHXFCSA-N 1 2 337.464 1.656 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCCn4ccnc43)C[C@H]21 ZINC000328847858 444373587 /nfs/dbraw/zinc/37/35/87/444373587.db2.gz AUFPWYHVAWXDJH-RRFJBIMHSA-N 1 2 333.436 1.079 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCCn4ccnc43)C[C@H]21 ZINC000328847858 444373588 /nfs/dbraw/zinc/37/35/88/444373588.db2.gz AUFPWYHVAWXDJH-RRFJBIMHSA-N 1 2 333.436 1.079 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)CCO1 ZINC000328662593 444419590 /nfs/dbraw/zinc/41/95/90/444419590.db2.gz AUVQKCZBUXNEGY-ZFWWWQNUSA-N 1 2 336.436 1.708 20 30 EDEDLO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@@H]([NH+]3CCOCC3)C1)CCC2 ZINC000328665946 444420615 /nfs/dbraw/zinc/42/06/15/444420615.db2.gz ZNWDCAKKAQIMJL-JKSUJKDBSA-N 1 2 347.463 1.389 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328863549 444379168 /nfs/dbraw/zinc/37/91/68/444379168.db2.gz BDHIBOOJSPMAMS-SNPRPXQTSA-N 1 2 347.415 1.797 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328863549 444379173 /nfs/dbraw/zinc/37/91/73/444379173.db2.gz BDHIBOOJSPMAMS-SNPRPXQTSA-N 1 2 347.415 1.797 20 30 EDEDLO CN1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000328961823 444425170 /nfs/dbraw/zinc/42/51/70/444425170.db2.gz QFRKIJYIQZVWBO-QGZVFWFLSA-N 1 2 333.432 1.306 20 30 EDEDLO C[C@H]1C[C@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC1=O ZINC000328893778 444390983 /nfs/dbraw/zinc/39/09/83/444390983.db2.gz AKJZLMFWBPWCMV-UONOGXRCSA-N 1 2 334.420 1.809 20 30 EDEDLO C[C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)[C@@H]1C ZINC000331221195 444449321 /nfs/dbraw/zinc/44/93/21/444449321.db2.gz BTDNCXIGJDIHNS-TUVASFSCSA-N 1 2 340.468 1.893 20 30 EDEDLO C[C@@H]1CCC[C@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)[C@@H]1C ZINC000331221195 444449323 /nfs/dbraw/zinc/44/93/23/444449323.db2.gz BTDNCXIGJDIHNS-TUVASFSCSA-N 1 2 340.468 1.893 20 30 EDEDLO C=CCn1c(N2CC[NH+](CC(=O)NCC)CC2)nnc1C(C)(C)C ZINC000337912323 444457670 /nfs/dbraw/zinc/45/76/70/444457670.db2.gz QQWRPODCBUJRKF-UHFFFAOYSA-N 1 2 334.468 1.020 20 30 EDEDLO CO[C@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000331263896 444459736 /nfs/dbraw/zinc/45/97/36/444459736.db2.gz FSGBIFRXPNHNMP-IHRRRGAJSA-N 1 2 342.440 1.026 20 30 EDEDLO CO[C@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000331263896 444459738 /nfs/dbraw/zinc/45/97/38/444459738.db2.gz FSGBIFRXPNHNMP-IHRRRGAJSA-N 1 2 342.440 1.026 20 30 EDEDLO Cc1c(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cnn1CC(C)C ZINC000328966358 444427097 /nfs/dbraw/zinc/42/70/97/444427097.db2.gz MVCDDANZMPFNCM-JKSUJKDBSA-N 1 2 335.452 1.798 20 30 EDEDLO Cc1c(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cnn1CC(C)C ZINC000328966358 444427101 /nfs/dbraw/zinc/42/71/01/444427101.db2.gz MVCDDANZMPFNCM-JKSUJKDBSA-N 1 2 335.452 1.798 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)c2coc(C3CCOCC3)n2)CCO1 ZINC000328735282 444444649 /nfs/dbraw/zinc/44/46/49/444444649.db2.gz IXJIXLGTTPKUAC-UHFFFAOYSA-N 1 2 337.420 1.984 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)c2coc(C3CCOCC3)n2)CCO1 ZINC000328735282 444444652 /nfs/dbraw/zinc/44/46/52/444444652.db2.gz IXJIXLGTTPKUAC-UHFFFAOYSA-N 1 2 337.420 1.984 20 30 EDEDLO Cc1cn2c([nH+]1)[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)CCC2 ZINC000580366155 322041768 /nfs/dbraw/zinc/04/17/68/322041768.db2.gz ORQXXCXGVVJHLY-CYBMUJFWSA-N 1 2 331.401 1.314 20 30 EDEDLO CCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000581492110 322184377 /nfs/dbraw/zinc/18/43/77/322184377.db2.gz UFEKMEYIGVIBMG-AWEZNQCLSA-N 1 2 337.401 1.866 20 30 EDEDLO CCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000581492110 322184378 /nfs/dbraw/zinc/18/43/78/322184378.db2.gz UFEKMEYIGVIBMG-AWEZNQCLSA-N 1 2 337.401 1.866 20 30 EDEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000340806566 444517524 /nfs/dbraw/zinc/51/75/24/444517524.db2.gz XJIYGCKUDSCCKK-KGLIPLIRSA-N 1 2 331.416 1.709 20 30 EDEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000342209409 444565927 /nfs/dbraw/zinc/56/59/27/444565927.db2.gz RZXDPADYBMPLCK-DOTOQJQBSA-N 1 2 341.459 1.770 20 30 EDEDLO Cn1cncc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329424074 444574135 /nfs/dbraw/zinc/57/41/35/444574135.db2.gz IKVGFMUIESHLPR-MLGOLLRUSA-N 1 2 342.403 1.353 20 30 EDEDLO N#CCc1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000343765870 444575326 /nfs/dbraw/zinc/57/53/26/444575326.db2.gz NINJDSIVFDNYOE-MSOLQXFVSA-N 1 2 348.468 1.921 20 30 EDEDLO N#CCc1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000343765870 444575327 /nfs/dbraw/zinc/57/53/27/444575327.db2.gz NINJDSIVFDNYOE-MSOLQXFVSA-N 1 2 348.468 1.921 20 30 EDEDLO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nccs1 ZINC000343718247 444542710 /nfs/dbraw/zinc/54/27/10/444542710.db2.gz APCMWZGVRBWFPY-LBPRGKRZSA-N 1 2 336.442 1.924 20 30 EDEDLO CC(C)(C)c1nc(=NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)s[nH]1 ZINC000329352138 444545850 /nfs/dbraw/zinc/54/58/50/444545850.db2.gz XLQRKSFRMIODPF-UHFFFAOYSA-N 1 2 341.481 1.694 20 30 EDEDLO CC(C)(C)c1nc(=NC(=O)NCC[N@H+]2CCOC(C)(C)C2)s[nH]1 ZINC000329352138 444545853 /nfs/dbraw/zinc/54/58/53/444545853.db2.gz XLQRKSFRMIODPF-UHFFFAOYSA-N 1 2 341.481 1.694 20 30 EDEDLO C[C@H](C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O)[NH+]1CCSCC1 ZINC000329459590 444588442 /nfs/dbraw/zinc/58/84/42/444588442.db2.gz OXIKOPWXCVLGRB-RISCZKNCSA-N 1 2 337.420 1.935 20 30 EDEDLO COc1cnc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)s1 ZINC000329499318 444605253 /nfs/dbraw/zinc/60/52/53/444605253.db2.gz FQXFMAPROIRYJL-NSHDSACASA-N 1 2 326.422 1.494 20 30 EDEDLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000338278699 444607718 /nfs/dbraw/zinc/60/77/18/444607718.db2.gz OIZQVDFLPCGWSY-NVXWUHKLSA-N 1 2 349.456 1.213 20 30 EDEDLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000338278699 444607720 /nfs/dbraw/zinc/60/77/20/444607720.db2.gz OIZQVDFLPCGWSY-NVXWUHKLSA-N 1 2 349.456 1.213 20 30 EDEDLO CC#CCN(C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000341067954 444660399 /nfs/dbraw/zinc/66/03/99/444660399.db2.gz RRDRXXBSQZZOGQ-INIZCTEOSA-N 1 2 330.432 1.499 20 30 EDEDLO CC#CCN(C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000341067954 444660402 /nfs/dbraw/zinc/66/04/02/444660402.db2.gz RRDRXXBSQZZOGQ-INIZCTEOSA-N 1 2 330.432 1.499 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)NCc2c[nH+]ccc2OC)c1 ZINC000342375556 444664149 /nfs/dbraw/zinc/66/41/49/444664149.db2.gz PZNOWCUMZHYFEF-UHFFFAOYSA-N 1 2 341.367 1.910 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)C[C@H]21 ZINC000329691497 444681379 /nfs/dbraw/zinc/68/13/79/444681379.db2.gz DLMJFPWQJWJUQJ-CVEARBPZSA-N 1 2 327.388 1.637 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)C[C@H]21 ZINC000329691497 444681384 /nfs/dbraw/zinc/68/13/84/444681384.db2.gz DLMJFPWQJWJUQJ-CVEARBPZSA-N 1 2 327.388 1.637 20 30 EDEDLO C[C@H](NC(=O)N1CCC[C@]2(CNC(=O)C2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000329785787 444716316 /nfs/dbraw/zinc/71/63/16/444716316.db2.gz XGUQLJYUKBUTAA-ZQIUZPCESA-N 1 2 338.452 1.452 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc4c3OCC(=O)N4)C[C@H]21 ZINC000329798833 444720902 /nfs/dbraw/zinc/72/09/02/444720902.db2.gz XPFPVCMWZIAJMN-OLZOCXBDSA-N 1 2 332.360 1.227 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc4c3OCC(=O)N4)C[C@H]21 ZINC000329798833 444720906 /nfs/dbraw/zinc/72/09/06/444720906.db2.gz XPFPVCMWZIAJMN-OLZOCXBDSA-N 1 2 332.360 1.227 20 30 EDEDLO CO[C@]1(C)C[C@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1(C)C ZINC000329817271 444727944 /nfs/dbraw/zinc/72/79/44/444727944.db2.gz WOXXTTBMHSGHON-MAUKXSAKSA-N 1 2 349.479 1.655 20 30 EDEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000329858017 444742575 /nfs/dbraw/zinc/74/25/75/444742575.db2.gz VTCNFSAYPBLRBL-RYUDHWBXSA-N 1 2 337.445 1.586 20 30 EDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000329858017 444742582 /nfs/dbraw/zinc/74/25/82/444742582.db2.gz VTCNFSAYPBLRBL-RYUDHWBXSA-N 1 2 337.445 1.586 20 30 EDEDLO C[C@@H]1OCC[C@]12CN(C([O-])=[NH+]C[C@@H]1CCc3[nH+]ccn3C1)C[C@@H](C)O2 ZINC000329897183 444757831 /nfs/dbraw/zinc/75/78/31/444757831.db2.gz CTUJFCAUXDQBQA-LLDVTBCESA-N 1 2 348.447 1.628 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000334042536 444758744 /nfs/dbraw/zinc/75/87/44/444758744.db2.gz OVDAMRPWJULRNQ-UHFFFAOYSA-N 1 2 337.420 1.697 20 30 EDEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCC(c2cc[nH]n2)CC1 ZINC000329911946 444764559 /nfs/dbraw/zinc/76/45/59/444764559.db2.gz OCKRNJZEQMMPNL-ZDUSSCGKSA-N 1 2 328.420 1.962 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)C[C@H]21 ZINC000329930123 444774095 /nfs/dbraw/zinc/77/40/95/444774095.db2.gz ODEIIXLXXHJNJX-DOMZBBRYSA-N 1 2 333.388 1.754 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)C[C@H]21 ZINC000329930123 444774099 /nfs/dbraw/zinc/77/40/99/444774099.db2.gz ODEIIXLXXHJNJX-DOMZBBRYSA-N 1 2 333.388 1.754 20 30 EDEDLO C[C@H](CC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)NC(=O)c1ccccc1 ZINC000329935463 444777047 /nfs/dbraw/zinc/77/70/47/444777047.db2.gz RBAHXOCXWKDQEW-KBMXLJTQSA-N 1 2 331.416 1.311 20 30 EDEDLO C[C@H](CC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)NC(=O)c1ccccc1 ZINC000329935463 444777051 /nfs/dbraw/zinc/77/70/51/444777051.db2.gz RBAHXOCXWKDQEW-KBMXLJTQSA-N 1 2 331.416 1.311 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC(F)F)c(F)c3)C[C@H]21 ZINC000329982082 444797895 /nfs/dbraw/zinc/79/78/95/444797895.db2.gz OLZLWHOEEXRXAN-YPMHNXCESA-N 1 2 345.321 1.987 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC(F)F)c(F)c3)C[C@H]21 ZINC000329982082 444797898 /nfs/dbraw/zinc/79/78/98/444797898.db2.gz OLZLWHOEEXRXAN-YPMHNXCESA-N 1 2 345.321 1.987 20 30 EDEDLO CC(=O)N[C@@H](C)C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000330030950 444818256 /nfs/dbraw/zinc/81/82/56/444818256.db2.gz SIWDREZWDRUQKQ-AWEZNQCLSA-N 1 2 337.464 1.845 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2CCO[C@H](c3cccc(O)c3)C2)C1 ZINC000330091720 444841384 /nfs/dbraw/zinc/84/13/84/444841384.db2.gz YAAQXKYAJHYEHL-CVEARBPZSA-N 1 2 335.404 1.010 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@H](c3cccc(O)c3)C2)C1 ZINC000330091720 444841386 /nfs/dbraw/zinc/84/13/86/444841386.db2.gz YAAQXKYAJHYEHL-CVEARBPZSA-N 1 2 335.404 1.010 20 30 EDEDLO O=S1(=O)CCC[C@H]1C[NH+]=C([O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000330156328 444866092 /nfs/dbraw/zinc/86/60/92/444866092.db2.gz YTJLVUZOIGHRDK-ZDUSSCGKSA-N 1 2 326.422 1.011 20 30 EDEDLO O=C(NC[C@@H]1CCCS1(=O)=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000330156328 444866098 /nfs/dbraw/zinc/86/60/98/444866098.db2.gz YTJLVUZOIGHRDK-ZDUSSCGKSA-N 1 2 326.422 1.011 20 30 EDEDLO CC1(C)CCC[C@H]1NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000330228858 444896363 /nfs/dbraw/zinc/89/63/63/444896363.db2.gz CRVGTEZZUWNFJB-CQSZACIVSA-N 1 2 335.452 2.120 20 30 EDEDLO Cc1cn2cc(NC(=O)N3CC[C@@H](C)S(=O)(=O)CC3)ccc2[nH+]1 ZINC000330255687 444909346 /nfs/dbraw/zinc/90/93/46/444909346.db2.gz PSJHWDFAYMAMJI-GFCCVEGCSA-N 1 2 336.417 1.697 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)CN2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000330274468 444917060 /nfs/dbraw/zinc/91/70/60/444917060.db2.gz KDOMDRLZESXILV-HOTGVXAUSA-N 1 2 332.404 1.897 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)CN2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000330274468 444917061 /nfs/dbraw/zinc/91/70/61/444917061.db2.gz KDOMDRLZESXILV-HOTGVXAUSA-N 1 2 332.404 1.897 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000330274468 444917063 /nfs/dbraw/zinc/91/70/63/444917063.db2.gz KDOMDRLZESXILV-HOTGVXAUSA-N 1 2 332.404 1.897 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000330274468 444917065 /nfs/dbraw/zinc/91/70/65/444917065.db2.gz KDOMDRLZESXILV-HOTGVXAUSA-N 1 2 332.404 1.897 20 30 EDEDLO CC[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000330275889 444917814 /nfs/dbraw/zinc/91/78/14/444917814.db2.gz MDVHZQGJRZOXGG-BPUTZDHNSA-N 1 2 337.464 1.843 20 30 EDEDLO CNC(=O)[C@H]1CCCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330411317 444970419 /nfs/dbraw/zinc/97/04/19/444970419.db2.gz ANPIKHJVXCIRSY-SECBINFHSA-N 1 2 333.314 1.070 20 30 EDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)N(C)[C@H](C)CC#N ZINC000330414503 444972159 /nfs/dbraw/zinc/97/21/59/444972159.db2.gz NEYUJOLXTAFOQU-KGLIPLIRSA-N 1 2 339.465 1.909 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCc1[nH+]ccn1C ZINC000342966392 444974574 /nfs/dbraw/zinc/97/45/74/444974574.db2.gz QRCZBEZFKXHDLY-UHFFFAOYSA-N 1 2 337.383 1.123 20 30 EDEDLO CC[C@H](NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)C1CCOCC1 ZINC000330331939 444940217 /nfs/dbraw/zinc/94/02/17/444940217.db2.gz OMWUTZZXECYCLF-HOTGVXAUSA-N 1 2 349.479 1.828 20 30 EDEDLO CN(C)c1cnc(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cn1 ZINC000330333664 444941251 /nfs/dbraw/zinc/94/12/51/444941251.db2.gz PYYPHDOTSSXZEG-BXUZGUMPSA-N 1 2 330.392 1.501 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000337221452 444992108 /nfs/dbraw/zinc/99/21/08/444992108.db2.gz MKDURBHFZAIEKO-MRXNPFEDSA-N 1 2 331.464 1.127 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)Cc2ccccc2C)C1=O ZINC000337225534 444993210 /nfs/dbraw/zinc/99/32/10/444993210.db2.gz OJPLKNOIQPBUSZ-AEFFLSMTSA-N 1 2 343.471 1.761 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)Cc2ccccc2C)C1=O ZINC000337225534 444993212 /nfs/dbraw/zinc/99/32/12/444993212.db2.gz OJPLKNOIQPBUSZ-AEFFLSMTSA-N 1 2 343.471 1.761 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCc2ccc(C)cc2)C1=O ZINC000337240823 444999422 /nfs/dbraw/zinc/99/94/22/444999422.db2.gz GNJXFCUCESYQET-WBVHZDCISA-N 1 2 329.444 1.718 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCc2ccc(C)cc2)C1=O ZINC000337240823 444999427 /nfs/dbraw/zinc/99/94/27/444999427.db2.gz GNJXFCUCESYQET-WBVHZDCISA-N 1 2 329.444 1.718 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000330762152 445130529 /nfs/dbraw/zinc/13/05/29/445130529.db2.gz NWGDGGQVZKEVDA-LSDHHAIUSA-N 1 2 334.464 1.708 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000330762152 445130531 /nfs/dbraw/zinc/13/05/31/445130531.db2.gz NWGDGGQVZKEVDA-LSDHHAIUSA-N 1 2 334.464 1.708 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000330686194 445096386 /nfs/dbraw/zinc/09/63/86/445096386.db2.gz VEDFSZJXQMBIOS-AEFFLSMTSA-N 1 2 336.480 1.228 20 30 EDEDLO CC(=O)Nc1cc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)ccc1C ZINC000330706139 445104613 /nfs/dbraw/zinc/10/46/13/445104613.db2.gz KVVUKCZFGLLIGG-HNNXBMFYSA-N 1 2 333.436 1.525 20 30 EDEDLO CC(=O)Nc1cc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)ccc1C ZINC000330706139 445104619 /nfs/dbraw/zinc/10/46/19/445104619.db2.gz KVVUKCZFGLLIGG-HNNXBMFYSA-N 1 2 333.436 1.525 20 30 EDEDLO COc1cnc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)s1 ZINC000330726405 445114440 /nfs/dbraw/zinc/11/44/40/445114440.db2.gz KUTFBCGOSUAMEP-UHFFFAOYSA-N 1 2 327.410 1.629 20 30 EDEDLO CN(CCC#N)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339252021 445115721 /nfs/dbraw/zinc/11/57/21/445115721.db2.gz FBZDCPIEXDMTIR-HNNXBMFYSA-N 1 2 331.420 1.389 20 30 EDEDLO CN(CCC#N)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339252021 445115723 /nfs/dbraw/zinc/11/57/23/445115723.db2.gz FBZDCPIEXDMTIR-HNNXBMFYSA-N 1 2 331.420 1.389 20 30 EDEDLO C[C@@H](NC(=O)CNc1ccc(C#N)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000345343075 445182102 /nfs/dbraw/zinc/18/21/02/445182102.db2.gz ITXCEDVFLOOVJB-CQSZACIVSA-N 1 2 346.394 2.428 20 30 EDEDLO C[C@@H](O)C1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000330897871 445186921 /nfs/dbraw/zinc/18/69/21/445186921.db2.gz UOOSSKWLCCKEPA-SNVBAGLBSA-N 1 2 334.342 1.952 20 30 EDEDLO COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000330899013 445187137 /nfs/dbraw/zinc/18/71/37/445187137.db2.gz VNGUUJXMKQZOJS-DZGCQCFKSA-N 1 2 341.452 1.333 20 30 EDEDLO COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000330899013 445187139 /nfs/dbraw/zinc/18/71/39/445187139.db2.gz VNGUUJXMKQZOJS-DZGCQCFKSA-N 1 2 341.452 1.333 20 30 EDEDLO C=CCOC[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C)C(=O)OC ZINC000346648544 445221498 /nfs/dbraw/zinc/22/14/98/445221498.db2.gz FGZNDTLRKTWCCD-ZNMIVQPWSA-N 1 2 347.415 1.014 20 30 EDEDLO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1nc(Cc2ccccc2)no1 ZINC000347240547 445234733 /nfs/dbraw/zinc/23/47/33/445234733.db2.gz WQABDSPQODBMCJ-ZDUSSCGKSA-N 1 2 339.399 1.873 20 30 EDEDLO CCc1cnc(N2CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC2)s1 ZINC000347501660 445239832 /nfs/dbraw/zinc/23/98/32/445239832.db2.gz IANMWFZTVOBBGY-AWEZNQCLSA-N 1 2 349.504 1.836 20 30 EDEDLO C[C@@H](C(=O)NC(N)=O)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348306464 445250605 /nfs/dbraw/zinc/25/06/05/445250605.db2.gz MGDGUZWYTSLREU-SMDDNHRTSA-N 1 2 349.822 1.106 20 30 EDEDLO Cn1c2cc(Br)ccc2[nH+]c1Cn1cncc(C#N)c1=O ZINC000351766361 445313231 /nfs/dbraw/zinc/31/32/31/445313231.db2.gz CDVYTVYECTWSEL-UHFFFAOYSA-N 1 2 344.172 1.812 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000348586836 445332770 /nfs/dbraw/zinc/33/27/70/445332770.db2.gz HBHHPUNDRSUWLV-UHFFFAOYSA-N 1 2 349.297 1.148 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000352008312 445434252 /nfs/dbraw/zinc/43/42/52/445434252.db2.gz OSEUUUZPWYBJOO-DAYGRLMNSA-N 1 2 342.443 1.680 20 30 EDEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000352371595 445523931 /nfs/dbraw/zinc/52/39/31/445523931.db2.gz KREBTODLJRFGCO-KRWDZBQOSA-N 1 2 342.443 1.230 20 30 EDEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000352371595 445523934 /nfs/dbraw/zinc/52/39/34/445523934.db2.gz KREBTODLJRFGCO-KRWDZBQOSA-N 1 2 342.443 1.230 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(C#N)cc1 ZINC000359937542 445496728 /nfs/dbraw/zinc/49/67/28/445496728.db2.gz IWMMOAICSMHYGQ-WMLDXEAASA-N 1 2 328.416 1.735 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2COC[C@H]2O)c1 ZINC000352802190 445555787 /nfs/dbraw/zinc/55/57/87/445555787.db2.gz LXGAWOWSVUMLAK-DLBZAZTESA-N 1 2 331.416 1.242 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2COC[C@H]2O)c1 ZINC000352802190 445555793 /nfs/dbraw/zinc/55/57/93/445555793.db2.gz LXGAWOWSVUMLAK-DLBZAZTESA-N 1 2 331.416 1.242 20 30 EDEDLO C=CCOC[C@H](NC(=O)CCn1c(C)[nH+]c2ccccc21)C(=O)OC ZINC000357694154 445576573 /nfs/dbraw/zinc/57/65/73/445576573.db2.gz GZIYLONPGOTCTI-HNNXBMFYSA-N 1 2 345.399 1.595 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000357836419 445586002 /nfs/dbraw/zinc/58/60/02/445586002.db2.gz BPIFURRADNOUMS-WMLDXEAASA-N 1 2 349.479 1.409 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000357836419 445586007 /nfs/dbraw/zinc/58/60/07/445586007.db2.gz BPIFURRADNOUMS-WMLDXEAASA-N 1 2 349.479 1.409 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000349658215 445636832 /nfs/dbraw/zinc/63/68/32/445636832.db2.gz TXOJXBRVCUORCL-UHFFFAOYSA-N 1 2 334.445 1.536 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360616816 445717973 /nfs/dbraw/zinc/71/79/73/445717973.db2.gz GJIUPNKONAWSFK-UHFFFAOYSA-N 1 2 332.379 1.236 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCN(c2cccc(F)c2)C(=O)C1 ZINC000360616816 445717975 /nfs/dbraw/zinc/71/79/75/445717975.db2.gz GJIUPNKONAWSFK-UHFFFAOYSA-N 1 2 332.379 1.236 20 30 EDEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356535031 445846712 /nfs/dbraw/zinc/84/67/12/445846712.db2.gz QXGQCDTTYLIIJW-GDBMZVCRSA-N 1 2 340.383 1.698 20 30 EDEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000356535031 445846717 /nfs/dbraw/zinc/84/67/17/445846717.db2.gz QXGQCDTTYLIIJW-GDBMZVCRSA-N 1 2 340.383 1.698 20 30 EDEDLO C=CCOCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000365017340 445974750 /nfs/dbraw/zinc/97/47/50/445974750.db2.gz NJSFXRMETVKBBS-KRWDZBQOSA-N 1 2 333.432 1.389 20 30 EDEDLO C=CCOCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000365017340 445974753 /nfs/dbraw/zinc/97/47/53/445974753.db2.gz NJSFXRMETVKBBS-KRWDZBQOSA-N 1 2 333.432 1.389 20 30 EDEDLO C=CCCCC(=O)N1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000359173521 446000436 /nfs/dbraw/zinc/00/04/36/446000436.db2.gz VARGNIJNSBXBTI-HNNXBMFYSA-N 1 2 325.453 1.028 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC000369334147 446079804 /nfs/dbraw/zinc/07/98/04/446079804.db2.gz CFBIKAVEAMWXAA-SFHVURJKSA-N 1 2 347.503 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC000369334147 446079811 /nfs/dbraw/zinc/07/98/11/446079811.db2.gz CFBIKAVEAMWXAA-SFHVURJKSA-N 1 2 347.503 1.877 20 30 EDEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H]1CCCCNC1=O ZINC000369832511 446158907 /nfs/dbraw/zinc/15/89/07/446158907.db2.gz ZKXZDUSXZGDXCR-CQSZACIVSA-N 1 2 346.456 1.841 20 30 EDEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H]1CCCCNC1=O ZINC000369832511 446158912 /nfs/dbraw/zinc/15/89/12/446158912.db2.gz ZKXZDUSXZGDXCR-CQSZACIVSA-N 1 2 346.456 1.841 20 30 EDEDLO CCCn1nc2c(cc1=O)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000365394753 446185013 /nfs/dbraw/zinc/18/50/13/446185013.db2.gz RZOHAQATPSHSFL-SFHVURJKSA-N 1 2 345.447 1.066 20 30 EDEDLO CCCn1nc2c(cc1=O)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2 ZINC000365394753 446185016 /nfs/dbraw/zinc/18/50/16/446185016.db2.gz RZOHAQATPSHSFL-SFHVURJKSA-N 1 2 345.447 1.066 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000351593664 446189137 /nfs/dbraw/zinc/18/91/37/446189137.db2.gz DZPOTWWCBRPVSC-DZGCQCFKSA-N 1 2 342.378 1.029 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000366468133 446226387 /nfs/dbraw/zinc/22/63/87/446226387.db2.gz NKBFTUHLMSHQRK-UHFFFAOYSA-N 1 2 342.443 1.539 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000366468133 446226391 /nfs/dbraw/zinc/22/63/91/446226391.db2.gz NKBFTUHLMSHQRK-UHFFFAOYSA-N 1 2 342.443 1.539 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000370462783 446289596 /nfs/dbraw/zinc/28/95/96/446289596.db2.gz SUSRRUGMXKKLSE-QGZVFWFLSA-N 1 2 333.388 1.071 20 30 EDEDLO CCn1cc[nH+]c1CN1CCCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000376191288 446374106 /nfs/dbraw/zinc/37/41/06/446374106.db2.gz NLDBTVXYXZDLGZ-UHFFFAOYSA-N 1 2 338.415 1.518 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000370771681 446430053 /nfs/dbraw/zinc/43/00/53/446430053.db2.gz GGRRPMDLLJJJSJ-UHFFFAOYSA-N 1 2 335.408 1.384 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1F ZINC000376345844 446444813 /nfs/dbraw/zinc/44/48/13/446444813.db2.gz DAAIOOGRQLHSCM-WFASDCNBSA-N 1 2 339.798 1.783 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1F ZINC000376345844 446444820 /nfs/dbraw/zinc/44/48/20/446444820.db2.gz DAAIOOGRQLHSCM-WFASDCNBSA-N 1 2 339.798 1.783 20 30 EDEDLO Cc1cc(C)c(C#N)c(N2CCC(N3CC[N@@H+](C)CC3=O)CC2)n1 ZINC000374837671 446413443 /nfs/dbraw/zinc/41/34/43/446413443.db2.gz JPZYTLXCXIWPJW-UHFFFAOYSA-N 1 2 327.432 1.313 20 30 EDEDLO Cc1cc(C)c(C#N)c(N2CCC(N3CC[N@H+](C)CC3=O)CC2)n1 ZINC000374837671 446413446 /nfs/dbraw/zinc/41/34/46/446413446.db2.gz JPZYTLXCXIWPJW-UHFFFAOYSA-N 1 2 327.432 1.313 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCCC(C)(C)C)CC1 ZINC000367520619 446557985 /nfs/dbraw/zinc/55/79/85/446557985.db2.gz YFMLMGQQESWGHA-UHFFFAOYSA-N 1 2 335.492 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCCC(C)(C)C)CC1 ZINC000367520619 446557993 /nfs/dbraw/zinc/55/79/93/446557993.db2.gz YFMLMGQQESWGHA-UHFFFAOYSA-N 1 2 335.492 1.877 20 30 EDEDLO C[C@H](CNC(=O)[C@]1(C#N)CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000367681644 446575158 /nfs/dbraw/zinc/57/51/58/446575158.db2.gz GALNRCXRRJQAHO-DNVCBOLYSA-N 1 2 327.428 1.522 20 30 EDEDLO C[C@@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000435092210 446678138 /nfs/dbraw/zinc/67/81/38/446678138.db2.gz SDWVWAREDRUZHO-CRAIPNDOSA-N 1 2 339.439 1.769 20 30 EDEDLO C[N@@H+]1CCc2ncnc(N3CCO[C@H](c4cccc(C#N)c4)C3)c2C1 ZINC000371287392 446745636 /nfs/dbraw/zinc/74/56/36/446745636.db2.gz OIZQKHBZDHBRGZ-SFHVURJKSA-N 1 2 335.411 1.914 20 30 EDEDLO C[N@H+]1CCc2ncnc(N3CCO[C@H](c4cccc(C#N)c4)C3)c2C1 ZINC000371287392 446745641 /nfs/dbraw/zinc/74/56/41/446745641.db2.gz OIZQKHBZDHBRGZ-SFHVURJKSA-N 1 2 335.411 1.914 20 30 EDEDLO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000368357896 446810197 /nfs/dbraw/zinc/81/01/97/446810197.db2.gz OPKCDJQVHMMBOI-KRWDZBQOSA-N 1 2 345.443 1.378 20 30 EDEDLO CC(C)(C)OC[C@@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000368357896 446810202 /nfs/dbraw/zinc/81/02/02/446810202.db2.gz OPKCDJQVHMMBOI-KRWDZBQOSA-N 1 2 345.443 1.378 20 30 EDEDLO C=CCCC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439290362 446812624 /nfs/dbraw/zinc/81/26/24/446812624.db2.gz WNAGUVLHDUYCLU-UHFFFAOYSA-N 1 2 329.388 1.403 20 30 EDEDLO Cc1cc(N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c(C#N)c[nH+]1 ZINC000425224126 447071456 /nfs/dbraw/zinc/07/14/56/447071456.db2.gz CVFRYZLGYAEOCW-MRXNPFEDSA-N 1 2 336.395 1.775 20 30 EDEDLO C#CCCCNC(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000372328766 447039420 /nfs/dbraw/zinc/03/94/20/447039420.db2.gz CVLBZVJVIXUVFY-UHFFFAOYSA-N 1 2 343.475 1.768 20 30 EDEDLO Cc1cc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413181408 447052808 /nfs/dbraw/zinc/05/28/08/447052808.db2.gz QLVOHABPTYDMEJ-GUYCJALGSA-N 1 2 330.388 1.932 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1 ZINC000377311902 447058596 /nfs/dbraw/zinc/05/85/96/447058596.db2.gz SICGWOGESIVTMC-DLBZAZTESA-N 1 2 349.456 1.231 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc1 ZINC000377311902 447058603 /nfs/dbraw/zinc/05/86/03/447058603.db2.gz SICGWOGESIVTMC-DLBZAZTESA-N 1 2 349.456 1.231 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000372220099 447029078 /nfs/dbraw/zinc/02/90/78/447029078.db2.gz XUCKLSSFIDZHQG-FKEKPDDDSA-N 1 2 334.441 1.425 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000372220099 447029086 /nfs/dbraw/zinc/02/90/86/447029086.db2.gz XUCKLSSFIDZHQG-FKEKPDDDSA-N 1 2 334.441 1.425 20 30 EDEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1 ZINC000368775495 447097074 /nfs/dbraw/zinc/09/70/74/447097074.db2.gz QZGPLBBBWAZNSX-OAHLLOKOSA-N 1 2 343.387 1.257 20 30 EDEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CC[S@](=O)C1 ZINC000375930044 447157438 /nfs/dbraw/zinc/15/74/38/447157438.db2.gz DVAKRHIYWPUFQR-FIKIJFGZSA-N 1 2 325.459 1.649 20 30 EDEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CC[S@](=O)C1 ZINC000375930044 447157443 /nfs/dbraw/zinc/15/74/43/447157443.db2.gz DVAKRHIYWPUFQR-FIKIJFGZSA-N 1 2 325.459 1.649 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000375932954 447158158 /nfs/dbraw/zinc/15/81/58/447158158.db2.gz PHJCHGYADGZRFG-UHFFFAOYSA-N 1 2 336.395 1.798 20 30 EDEDLO CN1CC[NH+](C[C@@H]2CN(c3c(Cl)cccc3C#N)CCO2)CC1 ZINC000375985304 447193504 /nfs/dbraw/zinc/19/35/04/447193504.db2.gz MNJCVZCOIFJLJO-OAHLLOKOSA-N 1 2 334.851 1.664 20 30 EDEDLO N#CC1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CCCC1 ZINC000368874181 447171823 /nfs/dbraw/zinc/17/18/23/447171823.db2.gz DFXNQSULOFLHPQ-UHFFFAOYSA-N 1 2 332.448 1.227 20 30 EDEDLO N#CC1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CCCC1 ZINC000368874181 447171830 /nfs/dbraw/zinc/17/18/30/447171830.db2.gz DFXNQSULOFLHPQ-UHFFFAOYSA-N 1 2 332.448 1.227 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(Cc2ccccc2)[nH]1 ZINC000414121499 447276100 /nfs/dbraw/zinc/27/61/00/447276100.db2.gz HCJAHGGHLJEYLR-AWEZNQCLSA-N 1 2 331.445 1.694 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(Cc2ccccc2)[nH]1 ZINC000414121499 447276105 /nfs/dbraw/zinc/27/61/05/447276105.db2.gz HCJAHGGHLJEYLR-AWEZNQCLSA-N 1 2 331.445 1.694 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc(Cc2ccccc2)n[nH]1 ZINC000414121499 447276111 /nfs/dbraw/zinc/27/61/11/447276111.db2.gz HCJAHGGHLJEYLR-AWEZNQCLSA-N 1 2 331.445 1.694 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc(Cc2ccccc2)n[nH]1 ZINC000414121499 447276115 /nfs/dbraw/zinc/27/61/15/447276115.db2.gz HCJAHGGHLJEYLR-AWEZNQCLSA-N 1 2 331.445 1.694 20 30 EDEDLO C=CCC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456767039 447457370 /nfs/dbraw/zinc/45/73/70/447457370.db2.gz LUVWIZAPAXQXOU-CYBMUJFWSA-N 1 2 330.344 1.837 20 30 EDEDLO COCCN(CC#N)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000457185776 447537972 /nfs/dbraw/zinc/53/79/72/447537972.db2.gz WDXZANKMUOHACO-OAHLLOKOSA-N 1 2 348.422 1.335 20 30 EDEDLO C[C@H](C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)S(C)(=O)=O ZINC000450989654 447643656 /nfs/dbraw/zinc/64/36/56/447643656.db2.gz FKRRBYCSRUTECM-GFCCVEGCSA-N 1 2 340.420 1.974 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000416479490 447617893 /nfs/dbraw/zinc/61/78/93/447617893.db2.gz KAKDYWMZAGWSEW-AGIUHOORSA-N 1 2 345.465 1.834 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000416479490 447617899 /nfs/dbraw/zinc/61/78/99/447617899.db2.gz KAKDYWMZAGWSEW-AGIUHOORSA-N 1 2 345.465 1.834 20 30 EDEDLO CCN1CCN(C(=O)Nc2snc(C)c2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000459575108 447710173 /nfs/dbraw/zinc/71/01/73/447710173.db2.gz ZAJPKKIMDZUAOO-LBPRGKRZSA-N 1 2 345.432 1.957 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428701619 447714690 /nfs/dbraw/zinc/71/46/90/447714690.db2.gz PSUPXGWBIWEXHU-UHFFFAOYSA-N 1 2 341.477 1.039 20 30 EDEDLO NC(=O)C[C@@H]1COCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000452092274 447814906 /nfs/dbraw/zinc/81/49/06/447814906.db2.gz WNYKCMGJYRXJDY-CQSZACIVSA-N 1 2 326.318 1.633 20 30 EDEDLO NC(=O)C[C@@H]1COCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000452092274 447814908 /nfs/dbraw/zinc/81/49/08/447814908.db2.gz WNYKCMGJYRXJDY-CQSZACIVSA-N 1 2 326.318 1.633 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000466390980 447801892 /nfs/dbraw/zinc/80/18/92/447801892.db2.gz XCTPRRPDWHJQGG-XHSDSOJGSA-N 1 2 337.443 1.986 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000466390980 447801894 /nfs/dbraw/zinc/80/18/94/447801894.db2.gz XCTPRRPDWHJQGG-XHSDSOJGSA-N 1 2 337.443 1.986 20 30 EDEDLO CN1C[C@H](C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)OC1=O ZINC000497123972 447872520 /nfs/dbraw/zinc/87/25/20/447872520.db2.gz CKLVGQAEFMRXCT-CVEARBPZSA-N 1 2 348.834 1.973 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)cn3)c[nH+]2)CCO1 ZINC000523306975 447877451 /nfs/dbraw/zinc/87/74/51/447877451.db2.gz QMXDSAUHOLFGPV-CYBMUJFWSA-N 1 2 337.383 1.503 20 30 EDEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000491164463 447944906 /nfs/dbraw/zinc/94/49/06/447944906.db2.gz BZOSOBFMJIPBAA-CQSZACIVSA-N 1 2 328.478 1.146 20 30 EDEDLO C#CC(C)(C)[N@H+](C)CC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000491164463 447944908 /nfs/dbraw/zinc/94/49/08/447944908.db2.gz BZOSOBFMJIPBAA-CQSZACIVSA-N 1 2 328.478 1.146 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCOC2)CC1 ZINC000491165661 447945346 /nfs/dbraw/zinc/94/53/46/447945346.db2.gz MQSLDSSECFKUPE-HOTGVXAUSA-N 1 2 331.464 1.583 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN[C@H](c2nccs2)C(F)(F)F)CC1 ZINC000491210479 447959444 /nfs/dbraw/zinc/95/94/44/447959444.db2.gz VBHKYOWILGDADW-GFCCVEGCSA-N 1 2 346.378 1.114 20 30 EDEDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]2COC[C@@H]21 ZINC000570365978 447993928 /nfs/dbraw/zinc/99/39/28/447993928.db2.gz CFGJMLYRYCHQMB-UONOGXRCSA-N 1 2 335.429 1.084 20 30 EDEDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]2COC[C@@H]21 ZINC000570365978 447993935 /nfs/dbraw/zinc/99/39/35/447993935.db2.gz CFGJMLYRYCHQMB-UONOGXRCSA-N 1 2 335.429 1.084 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cn2ccnc2[C@H](O)C2CCCCC2)CC1 ZINC000491430938 448027645 /nfs/dbraw/zinc/02/76/45/448027645.db2.gz ZTIYXMUBKUUIMB-GOSISDBHSA-N 1 2 344.459 1.274 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)O[C@](C)(c2ccccc2)C1=O ZINC000496936190 448050598 /nfs/dbraw/zinc/05/05/98/448050598.db2.gz DEDQXZCSRMEUFN-RHSMWYFYSA-N 1 2 331.372 1.087 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)O[C@](C)(c2ccccc2)C1=O ZINC000496936190 448050604 /nfs/dbraw/zinc/05/06/04/448050604.db2.gz DEDQXZCSRMEUFN-RHSMWYFYSA-N 1 2 331.372 1.087 20 30 EDEDLO C#CCNC(=O)c1cccc(-c2noc([C@H]3C[N@H+](CC)CCO3)n2)c1 ZINC000491695491 448080744 /nfs/dbraw/zinc/08/07/44/448080744.db2.gz CEJKOYFPWVAARX-OAHLLOKOSA-N 1 2 340.383 1.493 20 30 EDEDLO C#CCNC(=O)c1cccc(-c2noc([C@H]3C[N@@H+](CC)CCO3)n2)c1 ZINC000491695491 448080746 /nfs/dbraw/zinc/08/07/46/448080746.db2.gz CEJKOYFPWVAARX-OAHLLOKOSA-N 1 2 340.383 1.493 20 30 EDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496991800 448102600 /nfs/dbraw/zinc/10/26/00/448102600.db2.gz COQJXBOFDQDKSP-GFCCVEGCSA-N 1 2 335.408 1.922 20 30 EDEDLO C#CCN(C(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)C1CCCC1 ZINC000491620284 448067613 /nfs/dbraw/zinc/06/76/13/448067613.db2.gz FIBIAPBRTPAOIJ-OAHLLOKOSA-N 1 2 342.443 1.590 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N(C[C@H](C)C#N)C3CC3)ccc2n1C ZINC000526681896 448113661 /nfs/dbraw/zinc/11/36/61/448113661.db2.gz ZIMHXMCPXNSEHT-LLVKDONJSA-N 1 2 339.399 1.971 20 30 EDEDLO C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@](C)(C#N)C[NH+](C)C)C1=O ZINC000571350575 448139116 /nfs/dbraw/zinc/13/91/16/448139116.db2.gz RLTJPVGKQOQZQG-UGSOOPFHSA-N 1 2 344.415 1.151 20 30 EDEDLO C=CCCS(=O)(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000531938838 448174555 /nfs/dbraw/zinc/17/45/55/448174555.db2.gz HJEONINTMDXQJM-NVXWUHKLSA-N 1 2 338.473 1.771 20 30 EDEDLO C=CCCS(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000531938838 448174561 /nfs/dbraw/zinc/17/45/61/448174561.db2.gz HJEONINTMDXQJM-NVXWUHKLSA-N 1 2 338.473 1.771 20 30 EDEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000532069517 448194765 /nfs/dbraw/zinc/19/47/65/448194765.db2.gz OYHYYJCNOMISFT-UHFFFAOYSA-N 1 2 334.464 1.329 20 30 EDEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000532069517 448194771 /nfs/dbraw/zinc/19/47/71/448194771.db2.gz OYHYYJCNOMISFT-UHFFFAOYSA-N 1 2 334.464 1.329 20 30 EDEDLO Cc1nnc([C@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)[nH]1 ZINC000591053729 448246184 /nfs/dbraw/zinc/24/61/84/448246184.db2.gz GYDCHTQZGFWERF-QWHCGFSZSA-N 1 2 342.428 1.641 20 30 EDEDLO Cc1nnc([C@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)[nH]1 ZINC000591053729 448246188 /nfs/dbraw/zinc/24/61/88/448246188.db2.gz GYDCHTQZGFWERF-QWHCGFSZSA-N 1 2 342.428 1.641 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000582550963 448272855 /nfs/dbraw/zinc/27/28/55/448272855.db2.gz ZZJOOKPGBCBKRQ-GOSISDBHSA-N 1 2 344.415 1.686 20 30 EDEDLO CCOC(=O)c1csc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)n1 ZINC000562409958 448250939 /nfs/dbraw/zinc/25/09/39/448250939.db2.gz TWPMYRUQIDQIQJ-UHFFFAOYSA-N 1 2 348.432 1.561 20 30 EDEDLO CCOC(=O)c1csc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)n1 ZINC000562409958 448250948 /nfs/dbraw/zinc/25/09/48/448250948.db2.gz TWPMYRUQIDQIQJ-UHFFFAOYSA-N 1 2 348.432 1.561 20 30 EDEDLO Cc1ccc([C@H](CNC(=O)NCC2(C#N)CC2)[NH+]2CCOCC2)cc1 ZINC000582523361 448261095 /nfs/dbraw/zinc/26/10/95/448261095.db2.gz IEHINKLLHGICCA-KRWDZBQOSA-N 1 2 342.443 1.971 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(C[C@]2([NH+]3CCOCC3)CCSC2)C1=O ZINC000563648129 448309939 /nfs/dbraw/zinc/30/99/39/448309939.db2.gz KBKACPMHFSNMCJ-XJKSGUPXSA-N 1 2 339.461 1.081 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000564198020 448324197 /nfs/dbraw/zinc/32/41/97/448324197.db2.gz YYRMGQXJLBBXTR-UHFFFAOYSA-N 1 2 333.457 1.828 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCC3(C#N)CC3)c[nH+]2)C[C@@H](C)O1 ZINC000515276692 448283028 /nfs/dbraw/zinc/28/30/28/448283028.db2.gz VJERJOLMZFCVSU-ZIAGYGMSSA-N 1 2 343.431 1.798 20 30 EDEDLO C[C@]12CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C[C@H]1C2(F)F ZINC000577457559 448299129 /nfs/dbraw/zinc/29/91/29/448299129.db2.gz IASVWQYTQPEJOB-OCCSQVGLSA-N 1 2 341.383 1.704 20 30 EDEDLO C[C@]12CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C[C@H]1C2(F)F ZINC000577457559 448299137 /nfs/dbraw/zinc/29/91/37/448299137.db2.gz IASVWQYTQPEJOB-OCCSQVGLSA-N 1 2 341.383 1.704 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000577468773 448303374 /nfs/dbraw/zinc/30/33/74/448303374.db2.gz RYPDCUJIALGPGJ-KLIQENQMSA-N 1 2 339.439 1.983 20 30 EDEDLO CC(=O)N1CCN(c2ccccc2CNc2cc(C)[nH+]cc2C#N)CC1 ZINC000516279174 448407563 /nfs/dbraw/zinc/40/75/63/448407563.db2.gz SOKZDYMXSBIMKJ-UHFFFAOYSA-N 1 2 349.438 1.964 20 30 EDEDLO C=C[C@H]1CCCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000572552303 448408420 /nfs/dbraw/zinc/40/84/20/448408420.db2.gz WRLQFAFCDNMUPG-INIZCTEOSA-N 1 2 344.463 1.349 20 30 EDEDLO C=CCC1(C(=O)N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CCC1 ZINC000583178942 448426097 /nfs/dbraw/zinc/42/60/97/448426097.db2.gz WLJGIOCHBCJAQV-CQSZACIVSA-N 1 2 330.432 1.774 20 30 EDEDLO COc1ccc(C[C@H](C)C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC ZINC000566308582 448441791 /nfs/dbraw/zinc/44/17/91/448441791.db2.gz IZACYRIKGKQRQR-SCLBCKFNSA-N 1 2 333.432 1.842 20 30 EDEDLO N#CCC1(CS(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000578079058 448457650 /nfs/dbraw/zinc/45/76/50/448457650.db2.gz SJDBZMTUZUCAOY-UHFFFAOYSA-N 1 2 334.445 1.795 20 30 EDEDLO C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c2nccn21 ZINC000591769824 448487472 /nfs/dbraw/zinc/48/74/72/448487472.db2.gz KIYNIKFGEFRVDK-WCQYABFASA-N 1 2 331.401 1.219 20 30 EDEDLO C=CCNC(=O)Nc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000591773655 448488268 /nfs/dbraw/zinc/48/82/68/448488268.db2.gz ZDTGMDMPDIGZHE-MRXNPFEDSA-N 1 2 331.420 1.612 20 30 EDEDLO C=CCNC(=O)Nc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000591773655 448488274 /nfs/dbraw/zinc/48/82/74/448488274.db2.gz ZDTGMDMPDIGZHE-MRXNPFEDSA-N 1 2 331.420 1.612 20 30 EDEDLO CCc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1S(C)(=O)=O ZINC000535735879 448502668 /nfs/dbraw/zinc/50/26/68/448502668.db2.gz FDNSHYCVRXCOKC-UHFFFAOYSA-N 1 2 349.456 1.370 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000540883620 448648009 /nfs/dbraw/zinc/64/80/09/448648009.db2.gz RIYFSWJNARFGLO-UHFFFAOYSA-N 1 2 346.818 1.900 20 30 EDEDLO Cc1nn(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1-c1ccccc1 ZINC000578873084 448658216 /nfs/dbraw/zinc/65/82/16/448658216.db2.gz LGJQYZGORXZFKW-GOSISDBHSA-N 1 2 325.416 1.819 20 30 EDEDLO Cc1cc(N2CCOCC2)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000573439661 448627667 /nfs/dbraw/zinc/62/76/67/448627667.db2.gz YBLQTWCEUFKJMW-QGZVFWFLSA-N 1 2 332.448 1.450 20 30 EDEDLO Cc1cc(N2CCOCC2)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000573439661 448627671 /nfs/dbraw/zinc/62/76/71/448627671.db2.gz YBLQTWCEUFKJMW-QGZVFWFLSA-N 1 2 332.448 1.450 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(Oc2cnccn2)c1 ZINC000567170906 448629725 /nfs/dbraw/zinc/62/97/25/448629725.db2.gz PGNXYLWPZPGWKI-QGZVFWFLSA-N 1 2 325.372 1.843 20 30 EDEDLO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000573737602 448701384 /nfs/dbraw/zinc/70/13/84/448701384.db2.gz PSSAFXFOYCHJLX-LBPRGKRZSA-N 1 2 347.362 1.701 20 30 EDEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000573737602 448701391 /nfs/dbraw/zinc/70/13/91/448701391.db2.gz PSSAFXFOYCHJLX-LBPRGKRZSA-N 1 2 347.362 1.701 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CC(C)(C(N)=O)C1 ZINC000592136138 448702025 /nfs/dbraw/zinc/70/20/25/448702025.db2.gz BODNXPKDGWDFLC-ZDUSSCGKSA-N 1 2 344.415 1.138 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)Cn1cnc2c(Cl)scc2c1=O ZINC000573921250 448748515 /nfs/dbraw/zinc/74/85/15/448748515.db2.gz OOZPCZWCWFCEDG-VIFPVBQESA-N 1 2 326.809 1.318 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)Cn1cnc2c(Cl)scc2c1=O ZINC000573921250 448748519 /nfs/dbraw/zinc/74/85/19/448748519.db2.gz OOZPCZWCWFCEDG-VIFPVBQESA-N 1 2 326.809 1.318 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCOC[C@H]2C2CCC2)CC1 ZINC000574154897 448803742 /nfs/dbraw/zinc/80/37/42/448803742.db2.gz XMSOSEVHRWQWQO-MSOLQXFVSA-N 1 2 348.491 1.180 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCOC[C@H]2C2CCC2)CC1 ZINC000574154897 448803746 /nfs/dbraw/zinc/80/37/46/448803746.db2.gz XMSOSEVHRWQWQO-MSOLQXFVSA-N 1 2 348.491 1.180 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1C#N ZINC000544878352 448771221 /nfs/dbraw/zinc/77/12/21/448771221.db2.gz DTXQGARBOROCEY-AWEZNQCLSA-N 1 2 342.399 1.381 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1C#N ZINC000544878352 448771224 /nfs/dbraw/zinc/77/12/24/448771224.db2.gz DTXQGARBOROCEY-AWEZNQCLSA-N 1 2 342.399 1.381 20 30 EDEDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1)CC2 ZINC000587741004 448846193 /nfs/dbraw/zinc/84/61/93/448846193.db2.gz OBALSDOYOKYTFU-ZDUSSCGKSA-N 1 2 337.383 1.283 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)n1 ZINC000587872753 448846303 /nfs/dbraw/zinc/84/63/03/448846303.db2.gz BYRNHJOACQDMQQ-CQSZACIVSA-N 1 2 342.447 1.226 20 30 EDEDLO CN1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)c2ccc[nH+]c21 ZINC000520805003 448931131 /nfs/dbraw/zinc/93/11/31/448931131.db2.gz HAYDYYFLUIPRFB-UHFFFAOYSA-N 1 2 342.424 1.934 20 30 EDEDLO C[C@]1(C#N)CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000589487527 449024560 /nfs/dbraw/zinc/02/45/60/449024560.db2.gz SWXHRWXFLLKNAG-GOSISDBHSA-N 1 2 328.416 1.680 20 30 EDEDLO COc1cc(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1C#N ZINC000582036013 448992488 /nfs/dbraw/zinc/99/24/88/448992488.db2.gz JHHKDEUTFPYPAY-ZDUSSCGKSA-N 1 2 325.372 1.647 20 30 EDEDLO COc1cc(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1C#N ZINC000582036013 448992497 /nfs/dbraw/zinc/99/24/97/448992497.db2.gz JHHKDEUTFPYPAY-ZDUSSCGKSA-N 1 2 325.372 1.647 20 30 EDEDLO N#Cc1nc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)[nH]c1C#N ZINC000522203995 449062552 /nfs/dbraw/zinc/06/25/52/449062552.db2.gz NAUMBRJXBRGPQJ-CYBMUJFWSA-N 1 2 335.371 1.399 20 30 EDEDLO N#Cc1nc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH]c1C#N ZINC000522203995 449062558 /nfs/dbraw/zinc/06/25/58/449062558.db2.gz NAUMBRJXBRGPQJ-CYBMUJFWSA-N 1 2 335.371 1.399 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc(O)cc(C#N)c1)C2 ZINC000593696799 449151018 /nfs/dbraw/zinc/15/10/18/449151018.db2.gz GTLBECJSTLOLCN-CQSZACIVSA-N 1 2 340.383 1.048 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000611171891 449198292 /nfs/dbraw/zinc/19/82/92/449198292.db2.gz QQPZNCPUFIRAHM-SJLPKXTDSA-N 1 2 347.484 1.694 20 30 EDEDLO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611173716 449199531 /nfs/dbraw/zinc/19/95/31/449199531.db2.gz HWANHGCDKJWLOC-CVEARBPZSA-N 1 2 344.459 1.792 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601888644 449207275 /nfs/dbraw/zinc/20/72/75/449207275.db2.gz SGFAVIRAHYUXMF-UHFFFAOYSA-N 1 2 335.411 1.657 20 30 EDEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOc3ccc(O)cc3C2)cc1 ZINC000595856552 449209363 /nfs/dbraw/zinc/20/93/63/449209363.db2.gz IJHGWVDAXNXLEY-KRWDZBQOSA-N 1 2 340.379 1.898 20 30 EDEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCOc3ccc(O)cc3C2)cc1 ZINC000595856552 449209374 /nfs/dbraw/zinc/20/93/74/449209374.db2.gz IJHGWVDAXNXLEY-KRWDZBQOSA-N 1 2 340.379 1.898 20 30 EDEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)[nH]1 ZINC000601851289 449184089 /nfs/dbraw/zinc/18/40/89/449184089.db2.gz KEERVPWEIIYLIH-UHFFFAOYSA-N 1 2 327.413 1.765 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000598001150 449187544 /nfs/dbraw/zinc/18/75/44/449187544.db2.gz WZZCNIMLVNKBHY-KGLIPLIRSA-N 1 2 347.415 1.171 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000598001150 449187547 /nfs/dbraw/zinc/18/75/47/449187547.db2.gz WZZCNIMLVNKBHY-KGLIPLIRSA-N 1 2 347.415 1.171 20 30 EDEDLO Cc1nnc(C[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)s1 ZINC000595886680 449232727 /nfs/dbraw/zinc/23/27/27/449232727.db2.gz YBFCUYYKDRPJTC-CQSZACIVSA-N 1 2 332.429 1.784 20 30 EDEDLO Cc1nnc(C[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)s1 ZINC000595886680 449232730 /nfs/dbraw/zinc/23/27/30/449232730.db2.gz YBFCUYYKDRPJTC-CQSZACIVSA-N 1 2 332.429 1.784 20 30 EDEDLO N#CC1(c2ccc(C[NH+]3CCN(S(=O)(=O)C4CC4)CC3)cc2)CC1 ZINC000600192334 449236629 /nfs/dbraw/zinc/23/66/29/449236629.db2.gz GTCMHBBYZAYHGZ-UHFFFAOYSA-N 1 2 345.468 1.852 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902705 449242548 /nfs/dbraw/zinc/24/25/48/449242548.db2.gz LQUFXHKUSPVHPM-LBPRGKRZSA-N 1 2 326.400 1.095 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902705 449242557 /nfs/dbraw/zinc/24/25/57/449242557.db2.gz LQUFXHKUSPVHPM-LBPRGKRZSA-N 1 2 326.400 1.095 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600422643 449367039 /nfs/dbraw/zinc/36/70/39/449367039.db2.gz WUNPCFXQASLMKG-DOTOQJQBSA-N 1 2 331.416 1.408 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600422643 449367045 /nfs/dbraw/zinc/36/70/45/449367045.db2.gz WUNPCFXQASLMKG-DOTOQJQBSA-N 1 2 331.416 1.408 20 30 EDEDLO C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1[nH+]ccn1C ZINC000598460639 449406311 /nfs/dbraw/zinc/40/63/11/449406311.db2.gz UVEHGAXHKKBJMK-GFCCVEGCSA-N 1 2 346.412 1.084 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCN(CCC#N)CC2)cc1 ZINC000602198636 449428075 /nfs/dbraw/zinc/42/80/75/449428075.db2.gz JMUGRIIKGJZJTP-SFHVURJKSA-N 1 2 342.443 1.327 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCN(CCC#N)CC2)cc1 ZINC000602198636 449428077 /nfs/dbraw/zinc/42/80/77/449428077.db2.gz JMUGRIIKGJZJTP-SFHVURJKSA-N 1 2 342.443 1.327 20 30 EDEDLO Cc1ccc(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cc1C#N ZINC000600557326 449443512 /nfs/dbraw/zinc/44/35/12/449443512.db2.gz CKUPRSQXPGDTJY-UHFFFAOYSA-N 1 2 348.406 1.781 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[C@@H](C)CO1 ZINC000596580409 449560312 /nfs/dbraw/zinc/56/03/12/449560312.db2.gz IBVJDMWFEOMTFZ-PMUMKWKESA-N 1 2 342.443 1.954 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[C@@H](C)CO1 ZINC000596580409 449560315 /nfs/dbraw/zinc/56/03/15/449560315.db2.gz IBVJDMWFEOMTFZ-PMUMKWKESA-N 1 2 342.443 1.954 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612166783 449594647 /nfs/dbraw/zinc/59/46/47/449594647.db2.gz ZBPGXCTZOSBNOB-AEFFLSMTSA-N 1 2 331.464 1.304 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612166783 449594656 /nfs/dbraw/zinc/59/46/56/449594656.db2.gz ZBPGXCTZOSBNOB-AEFFLSMTSA-N 1 2 331.464 1.304 20 30 EDEDLO N#Cc1sccc1N1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000594687779 449626254 /nfs/dbraw/zinc/62/62/54/449626254.db2.gz TZFQKGREJYGKSJ-UHFFFAOYSA-N 1 2 344.444 1.738 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598941900 449660721 /nfs/dbraw/zinc/66/07/21/449660721.db2.gz HGQKDSVJAPQATL-LBPRGKRZSA-N 1 2 325.372 1.146 20 30 EDEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000598949738 449666738 /nfs/dbraw/zinc/66/67/38/449666738.db2.gz NHWPBGAMLDYCNM-ZBFHGGJFSA-N 1 2 343.427 1.901 20 30 EDEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000598949738 449666743 /nfs/dbraw/zinc/66/67/43/449666743.db2.gz NHWPBGAMLDYCNM-ZBFHGGJFSA-N 1 2 343.427 1.901 20 30 EDEDLO N#CCC1(CS(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000594802934 449715765 /nfs/dbraw/zinc/71/57/65/449715765.db2.gz FEMYBDQSDIPPCP-UHFFFAOYSA-N 1 2 334.445 1.795 20 30 EDEDLO N#Cc1cncc(NCc2ccc(C[NH+]3CCS(=O)CC3)cc2)n1 ZINC000601178739 449735969 /nfs/dbraw/zinc/73/59/69/449735969.db2.gz YIEXNPQNBWRHQM-UHFFFAOYSA-N 1 2 341.440 1.525 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCC2(C#N)CCCCC2)CC1 ZINC000596861028 449692818 /nfs/dbraw/zinc/69/28/18/449692818.db2.gz BQJJMWWPKMDRRH-UHFFFAOYSA-N 1 2 335.452 1.052 20 30 EDEDLO N#CC1(C[C@H](O)CN2CC[NH+](Cc3cccs3)CC2)CCOCC1 ZINC000599261086 449840107 /nfs/dbraw/zinc/84/01/07/449840107.db2.gz MKCBAYFVGXGEHW-INIZCTEOSA-N 1 2 349.500 1.937 20 30 EDEDLO C[C@@H]1C[NH+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)C[C@@H](C)N1CC#N ZINC000602848759 449855803 /nfs/dbraw/zinc/85/58/03/449855803.db2.gz IGRDKFWYTIMRBA-CKEIUWERSA-N 1 2 330.407 1.849 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)NCCc2ccc(F)cc2)C[C@@H](C)N1CC#N ZINC000602856596 449864356 /nfs/dbraw/zinc/86/43/56/449864356.db2.gz LILXEWIGWMKMQV-HUUCEWRRSA-N 1 2 332.423 1.403 20 30 EDEDLO CN1CCN(S(=O)(=O)c2ccccc2CC#N)c2ccc[nH+]c21 ZINC000601363948 449877471 /nfs/dbraw/zinc/87/74/71/449877471.db2.gz BNVQPEYLZVNUTI-UHFFFAOYSA-N 1 2 328.397 1.793 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000601377756 449892346 /nfs/dbraw/zinc/89/23/46/449892346.db2.gz FISRUKMPMWGVJU-LBPRGKRZSA-N 1 2 348.403 1.918 20 30 EDEDLO Cn1cc(C2=CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)cn1 ZINC000602887502 449894177 /nfs/dbraw/zinc/89/41/77/449894177.db2.gz LYVIOGSOYHJRIX-UHFFFAOYSA-N 1 2 327.432 1.852 20 30 EDEDLO Cn1cc(C2=CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)cn1 ZINC000602887502 449894179 /nfs/dbraw/zinc/89/41/79/449894179.db2.gz LYVIOGSOYHJRIX-UHFFFAOYSA-N 1 2 327.432 1.852 20 30 EDEDLO CC(C)OC(=O)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C(C)C ZINC000599433491 449971194 /nfs/dbraw/zinc/97/11/94/449971194.db2.gz SUYJXASXJWGVEL-WBVHZDCISA-N 1 2 334.416 1.864 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000599499185 450025544 /nfs/dbraw/zinc/02/55/44/450025544.db2.gz XCTHSFUULDZQQX-INIZCTEOSA-N 1 2 325.409 1.194 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000599499185 450025548 /nfs/dbraw/zinc/02/55/48/450025548.db2.gz XCTHSFUULDZQQX-INIZCTEOSA-N 1 2 325.409 1.194 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000609484918 450034769 /nfs/dbraw/zinc/03/47/69/450034769.db2.gz GXGJSBWMBMQFFI-BZSNNMDCSA-N 1 2 348.491 1.322 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000609486708 450036629 /nfs/dbraw/zinc/03/66/29/450036629.db2.gz POBFOKIPPUGYON-QAPCUYQASA-N 1 2 346.450 1.996 20 30 EDEDLO N#Cc1nccnc1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564241 450052774 /nfs/dbraw/zinc/05/27/74/450052774.db2.gz ZMMAFRIAMCDHOG-MRXNPFEDSA-N 1 2 343.818 1.857 20 30 EDEDLO C[C@]1(C#N)CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000595371062 450084682 /nfs/dbraw/zinc/08/46/82/450084682.db2.gz BYNKVUYARIGJMD-MRXNPFEDSA-N 1 2 330.413 1.856 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599669349 450140918 /nfs/dbraw/zinc/14/09/18/450140918.db2.gz OADDDFXKUHXONH-IUODEOHRSA-N 1 2 345.399 1.159 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599669349 450140919 /nfs/dbraw/zinc/14/09/19/450140919.db2.gz OADDDFXKUHXONH-IUODEOHRSA-N 1 2 345.399 1.159 20 30 EDEDLO C[C@@H]1C[N@H+](CCNc2cc(C#N)c(Br)cn2)CCO1 ZINC000603284442 450209221 /nfs/dbraw/zinc/20/92/21/450209221.db2.gz PIYGMYNJVKCETR-SNVBAGLBSA-N 1 2 325.210 1.848 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNc2cc(C#N)c(Br)cn2)CCO1 ZINC000603284442 450209225 /nfs/dbraw/zinc/20/92/25/450209225.db2.gz PIYGMYNJVKCETR-SNVBAGLBSA-N 1 2 325.210 1.848 20 30 EDEDLO C=C[C@@H](O)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000613480179 450193911 /nfs/dbraw/zinc/19/39/11/450193911.db2.gz JOYMDZDPMYZUSC-GFCCVEGCSA-N 1 2 338.205 1.611 20 30 EDEDLO N#Cc1ccc2c(c1)CCN2C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000597777810 450249476 /nfs/dbraw/zinc/24/94/76/450249476.db2.gz QYCVUZXJSHFWQC-UHFFFAOYSA-N 1 2 347.422 1.665 20 30 EDEDLO Cc1cccn2cc(CCNS(=O)(=O)N(C)C[C@H](C)C#N)[nH+]c12 ZINC000619711392 450315290 /nfs/dbraw/zinc/31/52/90/450315290.db2.gz YMLQWMBQOOBNFE-GFCCVEGCSA-N 1 2 335.433 1.111 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000619717821 450318246 /nfs/dbraw/zinc/31/82/46/450318246.db2.gz MQXUKFQCEIFDHM-IAGOWNOFSA-N 1 2 343.427 1.137 20 30 EDEDLO CCS(=O)(=O)CCCCC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000616111661 450325012 /nfs/dbraw/zinc/32/50/12/450325012.db2.gz MMHIQZWXAHHIGJ-INIZCTEOSA-N 1 2 329.510 1.757 20 30 EDEDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000610848496 450354631 /nfs/dbraw/zinc/35/46/31/450354631.db2.gz BHHDSNJQIHSWLY-MRXNPFEDSA-N 1 2 347.415 1.785 20 30 EDEDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000610848496 450354639 /nfs/dbraw/zinc/35/46/39/450354639.db2.gz BHHDSNJQIHSWLY-MRXNPFEDSA-N 1 2 347.415 1.785 20 30 EDEDLO C=CCCCN(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624936132 451068997 /nfs/dbraw/zinc/06/89/97/451068997.db2.gz LHVONXRCFWDPHE-QGZVFWFLSA-N 1 2 332.448 1.890 20 30 EDEDLO C=CCCCN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624936132 451069000 /nfs/dbraw/zinc/06/90/00/451069000.db2.gz LHVONXRCFWDPHE-QGZVFWFLSA-N 1 2 332.448 1.890 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000636787797 451509035 /nfs/dbraw/zinc/50/90/35/451509035.db2.gz RPNAEBGYVQVMCZ-HNNXBMFYSA-N 1 2 344.459 1.885 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCCc2ccc(F)cc2)nn1 ZINC000640829424 451613822 /nfs/dbraw/zinc/61/38/22/451613822.db2.gz GDZOFVRQYBFYGW-AWEZNQCLSA-N 1 2 343.406 1.450 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nn1 ZINC000640833253 451618770 /nfs/dbraw/zinc/61/87/70/451618770.db2.gz JXGRGKKKNXZXCZ-LJIGWXMPSA-N 1 2 331.464 1.893 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2nc(-c3ccc(F)cc3)no2)nn1 ZINC000640852426 451638990 /nfs/dbraw/zinc/63/89/90/451638990.db2.gz GDGXNDDRWFUKIG-UHFFFAOYSA-N 1 2 326.335 1.628 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)nn1 ZINC000640896773 451680193 /nfs/dbraw/zinc/68/01/93/451680193.db2.gz LWBPCPMVBBJDSR-CQSZACIVSA-N 1 2 343.406 1.750 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NCc2cccc(OC)c2)nn1 ZINC000640910894 451685956 /nfs/dbraw/zinc/68/59/56/451685956.db2.gz ACBZEOVZLFMLEY-CQSZACIVSA-N 1 2 341.415 1.277 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)Cc2ccc(CC)cc2)nn1 ZINC000640884326 451671979 /nfs/dbraw/zinc/67/19/79/451671979.db2.gz NJSGOXHIZJHIMH-UHFFFAOYSA-N 1 2 339.443 1.612 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2c(C)cccc2Cl)nn1 ZINC000641147159 451761647 /nfs/dbraw/zinc/76/16/47/451761647.db2.gz XCYBPEUVFVQRFC-UHFFFAOYSA-N 1 2 331.807 1.992 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000642648258 451907994 /nfs/dbraw/zinc/90/79/94/451907994.db2.gz JRJIIYKMGLGWOJ-MRXNPFEDSA-N 1 2 344.459 1.372 20 30 EDEDLO C=CCCn1cc(CN2CC[NH+](Cc3cccc(O)c3)CC2)nn1 ZINC000653581532 452025114 /nfs/dbraw/zinc/02/51/14/452025114.db2.gz VAXKVSFJHRQADF-UHFFFAOYSA-N 1 2 327.432 1.878 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2nc(C)no2)c(OC)c1 ZINC000653891979 452163382 /nfs/dbraw/zinc/16/33/82/452163382.db2.gz YWYBPGLYZUDJOT-HNNXBMFYSA-N 1 2 347.415 1.987 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2nc(C)no2)c(OC)c1 ZINC000653891979 452163389 /nfs/dbraw/zinc/16/33/89/452163389.db2.gz YWYBPGLYZUDJOT-HNNXBMFYSA-N 1 2 347.415 1.987 20 30 EDEDLO C=CCOCCCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000661796215 452581379 /nfs/dbraw/zinc/58/13/79/452581379.db2.gz QVLKUIPHTIWNJH-UHFFFAOYSA-N 1 2 334.420 1.310 20 30 EDEDLO C=CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000654565910 452649580 /nfs/dbraw/zinc/64/95/80/452649580.db2.gz IKCZIFYQKVEZFJ-CQSZACIVSA-N 1 2 333.413 1.458 20 30 EDEDLO C=CCn1cc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)nn1 ZINC000648244436 452940820 /nfs/dbraw/zinc/94/08/20/452940820.db2.gz HJRZPTJSCBMQIL-CYBMUJFWSA-N 1 2 342.403 1.014 20 30 EDEDLO C=CCOCCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000658616276 453190892 /nfs/dbraw/zinc/19/08/92/453190892.db2.gz YXFUZMYBPBHDMI-UHFFFAOYSA-N 1 2 330.388 1.529 20 30 EDEDLO C=CC[C@@]1(C(=O)NCc2n[nH]c(-c3ccc(OC)cc3)n2)CCC[NH2+]1 ZINC000662578986 453306097 /nfs/dbraw/zinc/30/60/97/453306097.db2.gz IUOLNNGFWSILAN-SFHVURJKSA-N 1 2 341.415 1.795 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)nn1 ZINC000657358923 453774010 /nfs/dbraw/zinc/77/40/10/453774010.db2.gz HVPWCQQUEOIWHN-OAHLLOKOSA-N 1 2 329.379 1.888 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(c3ccccc3OC)C2=O)nn1 ZINC000657394380 453780499 /nfs/dbraw/zinc/78/04/99/453780499.db2.gz JIENOHPAOVWMCQ-HNNXBMFYSA-N 1 2 341.415 1.758 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523059292 486868841 /nfs/dbraw/zinc/86/88/41/486868841.db2.gz WLOSQYHYQXRGMN-MAUKXSAKSA-N 1 2 345.443 1.799 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523059292 486868848 /nfs/dbraw/zinc/86/88/48/486868848.db2.gz WLOSQYHYQXRGMN-MAUKXSAKSA-N 1 2 345.443 1.799 20 30 EDEDLO COCC#CC[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000677818065 487174839 /nfs/dbraw/zinc/17/48/39/487174839.db2.gz YVIGJLMZSUKJBL-UHFFFAOYSA-N 1 2 330.472 1.997 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000668495379 485804784 /nfs/dbraw/zinc/80/47/84/485804784.db2.gz QSOLBVNLGZCSAE-CQSZACIVSA-N 1 2 330.432 1.579 20 30 EDEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295519151 485921744 /nfs/dbraw/zinc/92/17/44/485921744.db2.gz UMTRHGOYYJPPAA-CVEARBPZSA-N 1 2 348.834 1.555 20 30 EDEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295519151 485921750 /nfs/dbraw/zinc/92/17/50/485921750.db2.gz UMTRHGOYYJPPAA-CVEARBPZSA-N 1 2 348.834 1.555 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@]1(C#N)C[C@@H]1C)CC2 ZINC000449813581 486160371 /nfs/dbraw/zinc/16/03/71/486160371.db2.gz YGXDTWFHFUSEMY-ORAYPTAESA-N 1 2 343.427 1.728 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@]1(C#N)C[C@@H]1C)CC2 ZINC000449813581 486160378 /nfs/dbraw/zinc/16/03/78/486160378.db2.gz YGXDTWFHFUSEMY-ORAYPTAESA-N 1 2 343.427 1.728 20 30 EDEDLO Cc1cc(C)c(NC(=O)CO[NH+]=C(N)CN2CCOCC2)c(C)c1 ZINC000111181910 534071688 /nfs/dbraw/zinc/07/16/88/534071688.db2.gz USBQUEMSQWLABO-UHFFFAOYSA-N 1 2 334.420 1.171 20 30 EDEDLO C#CC[NH+](CC#C)CC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1 ZINC000174047462 526845933 /nfs/dbraw/zinc/84/59/33/526845933.db2.gz FIGILZIZEDGMCI-OAHLLOKOSA-N 1 2 328.412 1.840 20 30 EDEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000129016081 527642944 /nfs/dbraw/zinc/64/29/44/527642944.db2.gz YDMSOFSZBWRAIQ-UHFFFAOYSA-N 1 2 343.836 1.600 20 30 EDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ncc(C#N)cc1Cl ZINC000331343146 536374844 /nfs/dbraw/zinc/37/48/44/536374844.db2.gz OODCENDUELKOHN-UHFFFAOYSA-N 1 2 336.823 1.789 20 30 EDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ncc(C#N)cc1Cl ZINC000331343146 536374845 /nfs/dbraw/zinc/37/48/45/536374845.db2.gz OODCENDUELKOHN-UHFFFAOYSA-N 1 2 336.823 1.789 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1nccc2ccccc21 ZINC000740761564 579385101 /nfs/dbraw/zinc/38/51/01/579385101.db2.gz YPZVAPZKJRECAU-UHFFFAOYSA-N 1 2 343.456 1.365 20 30 EDEDLO Cc1cc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)ncn1 ZINC000741810682 579429439 /nfs/dbraw/zinc/42/94/39/579429439.db2.gz WPFABEBJHLFMBQ-UHFFFAOYSA-N 1 2 337.387 1.715 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000729853927 578595739 /nfs/dbraw/zinc/59/57/39/578595739.db2.gz NGORJZGIMQAYKC-UHFFFAOYSA-N 1 2 332.347 1.434 20 30 EDEDLO O=S(=O)(NC1CCCC1)c1ccc(N=NCc2[nH]cc[nH+]2)nc1 ZINC000731152136 578668601 /nfs/dbraw/zinc/66/86/01/578668601.db2.gz WZONIRBDTSCNKN-UHFFFAOYSA-N 1 2 334.405 1.472 20 30 EDEDLO C[NH+](C)CCCNC(=S)NN=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000731930693 578684462 /nfs/dbraw/zinc/68/44/62/578684462.db2.gz IECYFUQXLUYISU-UHFFFAOYSA-N 1 2 325.394 1.050 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2cnn(CCOC)c2c1 ZINC000732062219 578688806 /nfs/dbraw/zinc/68/88/06/578688806.db2.gz HLFXEFVGUJCIHI-INIZCTEOSA-N 1 2 326.400 1.719 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2cnn(CCOC)c2c1 ZINC000732062219 578688807 /nfs/dbraw/zinc/68/88/07/578688807.db2.gz HLFXEFVGUJCIHI-INIZCTEOSA-N 1 2 326.400 1.719 20 30 EDEDLO N#C[C@@H](C(=O)C[N@H+](CCO)CC1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000732204231 578697403 /nfs/dbraw/zinc/69/74/03/578697403.db2.gz RVNKFMYMHXBWBF-AWEZNQCLSA-N 1 2 340.383 1.216 20 30 EDEDLO N#C[C@@H](C(=O)C[N@@H+](CCO)CC1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000732204231 578697404 /nfs/dbraw/zinc/69/74/04/578697404.db2.gz RVNKFMYMHXBWBF-AWEZNQCLSA-N 1 2 340.383 1.216 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000733161379 578746229 /nfs/dbraw/zinc/74/62/29/578746229.db2.gz OQVUIWXHGWJGDS-UHFFFAOYSA-N 1 2 347.469 1.073 20 30 EDEDLO C[C@H](C(=O)OCCn1ncc(C#N)c1N)[N@@H+]1CCc2ccccc2C1 ZINC000760983569 580043477 /nfs/dbraw/zinc/04/34/77/580043477.db2.gz AXJLSRIZAOBPGB-CYBMUJFWSA-N 1 2 339.399 1.327 20 30 EDEDLO C[C@H](C(=O)OCCn1ncc(C#N)c1N)[N@H+]1CCc2ccccc2C1 ZINC000760983569 580043478 /nfs/dbraw/zinc/04/34/78/580043478.db2.gz AXJLSRIZAOBPGB-CYBMUJFWSA-N 1 2 339.399 1.327 20 30 EDEDLO C=CC[N@@H+](CCS(=O)(=O)CC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735419573 578883235 /nfs/dbraw/zinc/88/32/35/578883235.db2.gz WEXIFEPBTXZIIL-UHFFFAOYSA-N 1 2 335.433 1.289 20 30 EDEDLO C=CC[N@H+](CCS(=O)(=O)CC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735419573 578883236 /nfs/dbraw/zinc/88/32/36/578883236.db2.gz WEXIFEPBTXZIIL-UHFFFAOYSA-N 1 2 335.433 1.289 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000761038721 580045148 /nfs/dbraw/zinc/04/51/48/580045148.db2.gz SKGUVWRWWLSORF-UHFFFAOYSA-N 1 2 333.413 1.018 20 30 EDEDLO C[C@H]1C[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCCO1 ZINC000738163576 579166932 /nfs/dbraw/zinc/16/69/32/579166932.db2.gz ZUMWXURWPMREIX-SCLBCKFNSA-N 1 2 342.399 1.394 20 30 EDEDLO C[C@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCCO1 ZINC000738163576 579166933 /nfs/dbraw/zinc/16/69/33/579166933.db2.gz ZUMWXURWPMREIX-SCLBCKFNSA-N 1 2 342.399 1.394 20 30 EDEDLO C=CC[N@@H+](C)CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O ZINC000777541751 580444053 /nfs/dbraw/zinc/44/40/53/580444053.db2.gz RKDNDQJTAUNKAY-SFHVURJKSA-N 1 2 345.399 1.734 20 30 EDEDLO C=CC[N@H+](C)CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O ZINC000777541751 580444054 /nfs/dbraw/zinc/44/40/54/580444054.db2.gz RKDNDQJTAUNKAY-SFHVURJKSA-N 1 2 345.399 1.734 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](CC)Oc3ccccc32)CC1 ZINC000748825367 579702626 /nfs/dbraw/zinc/70/26/26/579702626.db2.gz SUIFIGZMIVLLEW-INIZCTEOSA-N 1 2 327.428 1.441 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc3ncccc32)CC1 ZINC000749693584 579735581 /nfs/dbraw/zinc/73/55/81/579735581.db2.gz WMPAMDDHUHSEMH-UHFFFAOYSA-N 1 2 329.425 1.564 20 30 EDEDLO C[C@H]1CC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@H]1F ZINC000777962531 580453618 /nfs/dbraw/zinc/45/36/18/580453618.db2.gz DCOYKXOJLPTXMR-XJKSGUPXSA-N 1 2 344.390 1.960 20 30 EDEDLO C[C@H]1CC[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@H]1F ZINC000777962531 580453619 /nfs/dbraw/zinc/45/36/19/580453619.db2.gz DCOYKXOJLPTXMR-XJKSGUPXSA-N 1 2 344.390 1.960 20 30 EDEDLO C[C@@H]1COCC[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000753984911 579892885 /nfs/dbraw/zinc/89/28/85/579892885.db2.gz GQMQHAKPERBNRH-SCLBCKFNSA-N 1 2 342.399 1.251 20 30 EDEDLO C[C@@H]1COCC[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000753984911 579892886 /nfs/dbraw/zinc/89/28/86/579892886.db2.gz GQMQHAKPERBNRH-SCLBCKFNSA-N 1 2 342.399 1.251 20 30 EDEDLO COc1cccc([C@@]2(C)NC(=O)N(N=Cc3c[nH+]cn3C)C2=O)c1 ZINC000755568425 579929754 /nfs/dbraw/zinc/92/97/54/579929754.db2.gz ALVSJFAXDUIPTC-MRXNPFEDSA-N 1 2 327.344 1.230 20 30 EDEDLO Cc1nn(C)c(Cl)c1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000755910354 579937913 /nfs/dbraw/zinc/93/79/13/579937913.db2.gz YISGDIKMCNTPSV-UHFFFAOYSA-N 1 2 330.823 1.971 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764076185 580112744 /nfs/dbraw/zinc/11/27/44/580112744.db2.gz IUGONBUXKITOBW-OKZBNKHCSA-N 1 2 347.409 1.924 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000764076185 580112745 /nfs/dbraw/zinc/11/27/45/580112745.db2.gz IUGONBUXKITOBW-OKZBNKHCSA-N 1 2 347.409 1.924 20 30 EDEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634686 580170853 /nfs/dbraw/zinc/17/08/53/580170853.db2.gz XHCIHMIVGMJAKO-QGZVFWFLSA-N 1 2 337.427 1.909 20 30 EDEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634686 580170854 /nfs/dbraw/zinc/17/08/54/580170854.db2.gz XHCIHMIVGMJAKO-QGZVFWFLSA-N 1 2 337.427 1.909 20 30 EDEDLO C[N@H+](CC(=O)OCC(=O)Nc1sccc1C#N)[C@@H]1CCSC1 ZINC000772050346 580301864 /nfs/dbraw/zinc/30/18/64/580301864.db2.gz QFUFQUZHOMLNRZ-LLVKDONJSA-N 1 2 339.442 1.539 20 30 EDEDLO C[N@@H+](CC(=O)OCC(=O)Nc1sccc1C#N)[C@@H]1CCSC1 ZINC000772050346 580301865 /nfs/dbraw/zinc/30/18/65/580301865.db2.gz QFUFQUZHOMLNRZ-LLVKDONJSA-N 1 2 339.442 1.539 20 30 EDEDLO C[N@H+](CC(=O)OCC(=O)Nc1sccc1C#N)[C@H]1CCSC1 ZINC000772050347 580301876 /nfs/dbraw/zinc/30/18/76/580301876.db2.gz QFUFQUZHOMLNRZ-NSHDSACASA-N 1 2 339.442 1.539 20 30 EDEDLO C[N@@H+](CC(=O)OCC(=O)Nc1sccc1C#N)[C@H]1CCSC1 ZINC000772050347 580301877 /nfs/dbraw/zinc/30/18/77/580301877.db2.gz QFUFQUZHOMLNRZ-NSHDSACASA-N 1 2 339.442 1.539 20 30 EDEDLO C[N@H+](CC(=O)[C@H](C#N)C(=O)NCc1ccccc1)[C@H]1CCSC1 ZINC000773973491 580350766 /nfs/dbraw/zinc/35/07/66/580350766.db2.gz FIEXTMLJLQAGLS-GJZGRUSLSA-N 1 2 331.441 1.449 20 30 EDEDLO C[N@@H+](CC(=O)[C@H](C#N)C(=O)NCc1ccccc1)[C@H]1CCSC1 ZINC000773973491 580350767 /nfs/dbraw/zinc/35/07/67/580350767.db2.gz FIEXTMLJLQAGLS-GJZGRUSLSA-N 1 2 331.441 1.449 20 30 EDEDLO C=CC[N@@H+](CCc1ccco1)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000778585578 580467992 /nfs/dbraw/zinc/46/79/92/580467992.db2.gz SAYOIXSCYJFEKY-UHFFFAOYSA-N 1 2 333.388 1.714 20 30 EDEDLO C=CC[N@H+](CCc1ccco1)CN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000778585578 580467993 /nfs/dbraw/zinc/46/79/93/580467993.db2.gz SAYOIXSCYJFEKY-UHFFFAOYSA-N 1 2 333.388 1.714 20 30 EDEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000779126617 580480053 /nfs/dbraw/zinc/48/00/53/580480053.db2.gz HMBPNRFWAACUGD-CYBMUJFWSA-N 1 2 342.399 1.389 20 30 EDEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000779126617 580480054 /nfs/dbraw/zinc/48/00/54/580480054.db2.gz HMBPNRFWAACUGD-CYBMUJFWSA-N 1 2 342.399 1.389 20 30 EDEDLO CC[N@H+](C)[C@@H](C(=O)OCCn1ncc(C#N)c1N)c1ccccc1 ZINC000780353723 580519469 /nfs/dbraw/zinc/51/94/69/580519469.db2.gz GHAONYVXGIMGRY-OAHLLOKOSA-N 1 2 327.388 1.573 20 30 EDEDLO CC[N@@H+](C)[C@@H](C(=O)OCCn1ncc(C#N)c1N)c1ccccc1 ZINC000780353723 580519470 /nfs/dbraw/zinc/51/94/70/580519470.db2.gz GHAONYVXGIMGRY-OAHLLOKOSA-N 1 2 327.388 1.573 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H](O)c2ccc(C#N)cc2)no1 ZINC000780921577 580537661 /nfs/dbraw/zinc/53/76/61/580537661.db2.gz MMEGTLVVLNITTE-AWEZNQCLSA-N 1 2 343.387 1.088 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000787239347 580690380 /nfs/dbraw/zinc/69/03/80/580690380.db2.gz NGHQYXGJPKXLKC-GHMZBOCLSA-N 1 2 346.353 1.032 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000787239347 580690381 /nfs/dbraw/zinc/69/03/81/580690381.db2.gz NGHQYXGJPKXLKC-GHMZBOCLSA-N 1 2 346.353 1.032 20 30 EDEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 ZINC000787918543 580709209 /nfs/dbraw/zinc/70/92/09/580709209.db2.gz OSSWMFWFTDOUGP-UHFFFAOYSA-N 1 2 335.473 1.992 20 30 EDEDLO CC(N=Nc1ccccc1S(=O)(=O)N1CCOCC1)c1[nH]cc[nH+]1 ZINC000790168287 580763799 /nfs/dbraw/zinc/76/37/99/580763799.db2.gz QZPWCRUURUMSKE-UHFFFAOYSA-N 1 2 349.416 1.267 20 30 EDEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1=S ZINC000794639218 580901216 /nfs/dbraw/zinc/90/12/16/580901216.db2.gz IWRXKDRWRGJGJC-MRXNPFEDSA-N 1 2 347.419 1.707 20 30 EDEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1=S ZINC000794639218 580901217 /nfs/dbraw/zinc/90/12/17/580901217.db2.gz IWRXKDRWRGJGJC-MRXNPFEDSA-N 1 2 347.419 1.707 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000795041952 580911192 /nfs/dbraw/zinc/91/11/92/580911192.db2.gz MDPIWGLVVCTYTQ-GOSISDBHSA-N 1 2 326.375 1.948 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000798351640 580995010 /nfs/dbraw/zinc/99/50/10/580995010.db2.gz XBJUNDUADGEEQT-OAHLLOKOSA-N 1 2 328.416 1.808 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000799938175 581039299 /nfs/dbraw/zinc/03/92/99/581039299.db2.gz BUGVAMRDWPIOAM-QHCPKHFHSA-N 1 2 346.378 1.473 20 30 EDEDLO CCn1cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)n1 ZINC000892224563 590873089 /nfs/dbraw/zinc/87/30/89/590873089.db2.gz XHBMSHGZCRTJKZ-ZDUSSCGKSA-N 1 2 325.420 1.584 20 30 EDEDLO CCn1cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)n1 ZINC000892224563 590873091 /nfs/dbraw/zinc/87/30/91/590873091.db2.gz XHBMSHGZCRTJKZ-ZDUSSCGKSA-N 1 2 325.420 1.584 20 30 EDEDLO C[C@@]1(C#N)CN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CCO1 ZINC000892562562 591073042 /nfs/dbraw/zinc/07/30/42/591073042.db2.gz HHTCQYHGKZVINS-MRXNPFEDSA-N 1 2 326.360 1.091 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(CC(C)C)nc2)CC1 ZINC000891536947 591112464 /nfs/dbraw/zinc/11/24/64/591112464.db2.gz PGYSAXLRVUWOGS-UHFFFAOYSA-N 1 2 330.476 1.700 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(CC(C)C)nc2)CC1 ZINC000891536947 591112468 /nfs/dbraw/zinc/11/24/68/591112468.db2.gz PGYSAXLRVUWOGS-UHFFFAOYSA-N 1 2 330.476 1.700 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc2oc(=O)oc2c1 ZINC000893864056 591119563 /nfs/dbraw/zinc/11/95/63/591119563.db2.gz QQHLEMDFUHGGJO-UHFFFAOYSA-N 1 2 331.372 1.434 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(n2)CCCC3)C1 ZINC000891603374 591144375 /nfs/dbraw/zinc/14/43/75/591144375.db2.gz OXAICCWLBYDQNF-HNNXBMFYSA-N 1 2 340.427 1.113 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(n2)CCCC3)C1 ZINC000891603374 591144376 /nfs/dbraw/zinc/14/43/76/591144376.db2.gz OXAICCWLBYDQNF-HNNXBMFYSA-N 1 2 340.427 1.113 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C(C)C)C1 ZINC000891608078 591145755 /nfs/dbraw/zinc/14/57/55/591145755.db2.gz WYWOUBGGWNCJQG-HNNXBMFYSA-N 1 2 327.428 1.962 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C(C)C)C1 ZINC000891608078 591145757 /nfs/dbraw/zinc/14/57/57/591145757.db2.gz WYWOUBGGWNCJQG-HNNXBMFYSA-N 1 2 327.428 1.962 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(C)cccc2CC)C1 ZINC000891606076 591146676 /nfs/dbraw/zinc/14/66/76/591146676.db2.gz KRFBLQJFUZCDJD-INIZCTEOSA-N 1 2 327.428 1.710 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2c(C)cccc2CC)C1 ZINC000891606076 591146679 /nfs/dbraw/zinc/14/66/79/591146679.db2.gz KRFBLQJFUZCDJD-INIZCTEOSA-N 1 2 327.428 1.710 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c1 ZINC000891609138 591148802 /nfs/dbraw/zinc/14/88/02/591148802.db2.gz NARKEPKJAJIFAI-UHFFFAOYSA-N 1 2 327.432 1.396 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCCc2ccc(OC)c(OC)c2)CC1 ZINC000895898308 591299065 /nfs/dbraw/zinc/29/90/65/591299065.db2.gz MMYYXSRAJBGZKN-UHFFFAOYSA-N 1 2 330.428 1.804 20 30 EDEDLO COC(=O)[C@H]1[C@@H](C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1(F)F ZINC000894468397 591320213 /nfs/dbraw/zinc/32/02/13/591320213.db2.gz UXJVQBLZGDRHSS-TZMCWYRMSA-N 1 2 336.342 1.130 20 30 EDEDLO Cn1c[nH+]c(CNC(=O)NC2CCN(c3ccccc3C#N)CC2)c1 ZINC000896103206 591346069 /nfs/dbraw/zinc/34/60/69/591346069.db2.gz LZPKKFROVXCGRG-UHFFFAOYSA-N 1 2 338.415 1.760 20 30 EDEDLO C#CCCOc1ccc(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000896539001 591502019 /nfs/dbraw/zinc/50/20/19/591502019.db2.gz JFJPSJWDVRPCAZ-QAPCUYQASA-N 1 2 329.444 1.453 20 30 EDEDLO C#CCCOc1ccc(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)cc1 ZINC000896539001 591502021 /nfs/dbraw/zinc/50/20/21/591502021.db2.gz JFJPSJWDVRPCAZ-QAPCUYQASA-N 1 2 329.444 1.453 20 30 EDEDLO O=C1C=COC2(CC[NH+](Cc3cn(C[C@H]4CCCO4)nn3)CC2)C1 ZINC000897599844 591575621 /nfs/dbraw/zinc/57/56/21/591575621.db2.gz XQQXGSZUIAIOTF-MRXNPFEDSA-N 1 2 332.404 1.295 20 30 EDEDLO O=C1[C@@H]([NH2+]Cc2ncc(Br)cc2Cl)CCCN1O ZINC000895156870 591624069 /nfs/dbraw/zinc/62/40/69/591624069.db2.gz HYMUFNRQVZXVAS-VIFPVBQESA-N 1 2 334.601 1.967 20 30 EDEDLO N#Cc1ccc(C2(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)CC2)cc1 ZINC000899062702 591667114 /nfs/dbraw/zinc/66/71/14/591667114.db2.gz XRPIZMHLXABOHL-UHFFFAOYSA-N 1 2 341.411 1.155 20 30 EDEDLO N#Cc1ccc(C2(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)CC2)cc1 ZINC000899062702 591667115 /nfs/dbraw/zinc/66/71/15/591667115.db2.gz XRPIZMHLXABOHL-UHFFFAOYSA-N 1 2 341.411 1.155 20 30 EDEDLO C#CCOc1ccccc1C[NH2+][C@@H](C)c1nc(C(=O)OCC)n[nH]1 ZINC000895237330 591672411 /nfs/dbraw/zinc/67/24/11/591672411.db2.gz TWPRFVGJXPJVCI-LBPRGKRZSA-N 1 2 328.372 1.844 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)nc1 ZINC000728807137 591831087 /nfs/dbraw/zinc/83/10/87/591831087.db2.gz KUVXSCPSEWISGX-LJQANCHMSA-N 1 2 335.407 1.866 20 30 EDEDLO Cn1c[nH+]cc1CCCN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000902236252 591952584 /nfs/dbraw/zinc/95/25/84/591952584.db2.gz QUMRRYFXIYPVEX-GOSISDBHSA-N 1 2 337.383 1.692 20 30 EDEDLO CCn1c[nH+]c2c1CCN(Cn1cc3c(c(C#N)c1=O)CCCC3)C2 ZINC000902556432 592012160 /nfs/dbraw/zinc/01/21/60/592012160.db2.gz ABUYPVWUKKQUSG-UHFFFAOYSA-N 1 2 337.427 1.831 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2c(F)cc(F)cc2[N+](=O)[O-])CC1 ZINC000902698255 592044791 /nfs/dbraw/zinc/04/47/91/592044791.db2.gz LHNTVWRQRVVSAH-UHFFFAOYSA-N 1 2 339.298 1.029 20 30 EDEDLO C[C@H]1CN(C(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)CC(C)(C)O1 ZINC000902721606 592052362 /nfs/dbraw/zinc/05/23/62/592052362.db2.gz CPESBSJSEBPICU-LBPRGKRZSA-N 1 2 347.415 1.284 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000903028209 592109099 /nfs/dbraw/zinc/10/90/99/592109099.db2.gz KKHCYCHJXGWTIN-INIZCTEOSA-N 1 2 336.399 1.151 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000903028209 592109101 /nfs/dbraw/zinc/10/91/01/592109101.db2.gz KKHCYCHJXGWTIN-INIZCTEOSA-N 1 2 336.399 1.151 20 30 EDEDLO C[C@@H]1CN(C(=O)C(F)(F)c2ccccc2C#N)C[C@H]1[NH+]1CCOCC1 ZINC000900881404 592155197 /nfs/dbraw/zinc/15/51/97/592155197.db2.gz SYGQVUZTBAROBO-CZUORRHYSA-N 1 2 349.381 1.829 20 30 EDEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000908071569 592305322 /nfs/dbraw/zinc/30/53/22/592305322.db2.gz FABWVFCQLGGQJC-GVWYBQPMSA-N 1 2 328.412 1.665 20 30 EDEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000908071569 592305327 /nfs/dbraw/zinc/30/53/27/592305327.db2.gz FABWVFCQLGGQJC-GVWYBQPMSA-N 1 2 328.412 1.665 20 30 EDEDLO C=CC[C@@H]([NH2+]C[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC ZINC000901596888 592406410 /nfs/dbraw/zinc/40/64/10/592406410.db2.gz SHAYIIZBEWCNEH-CXAGYDPISA-N 1 2 342.436 1.720 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000907155177 592540083 /nfs/dbraw/zinc/54/00/83/592540083.db2.gz WZQWKSZLGUWVJT-KRWDZBQOSA-N 1 2 348.468 1.399 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000907155177 592540086 /nfs/dbraw/zinc/54/00/86/592540086.db2.gz WZQWKSZLGUWVJT-KRWDZBQOSA-N 1 2 348.468 1.399 20 30 EDEDLO Cc1nc([C@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)no1 ZINC000905680815 592610691 /nfs/dbraw/zinc/61/06/91/592610691.db2.gz AUJOKNALNFWTIL-AWEZNQCLSA-N 1 2 339.399 1.737 20 30 EDEDLO Cc1nc([C@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCCC4)C2)no1 ZINC000905680815 592610694 /nfs/dbraw/zinc/61/06/94/592610694.db2.gz AUJOKNALNFWTIL-AWEZNQCLSA-N 1 2 339.399 1.737 20 30 EDEDLO C=CC[C@H]([NH2+]CCOc1ccc(NS(C)(=O)=O)cc1)C(=O)OC ZINC000905761523 592638963 /nfs/dbraw/zinc/63/89/63/592638963.db2.gz HEXMVJINNIRBMA-AWEZNQCLSA-N 1 2 342.417 1.144 20 30 EDEDLO C=CC[C@@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)C(=O)OC ZINC000905765985 592640114 /nfs/dbraw/zinc/64/01/14/592640114.db2.gz AARNEEWZAGHURX-GDBMZVCRSA-N 1 2 332.400 1.374 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000906588291 592852322 /nfs/dbraw/zinc/85/23/22/592852322.db2.gz VUHNMFCDMADAPI-OTWHNJEPSA-N 1 2 344.455 1.845 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2nnc(-c3ccccc3)[nH]2)C1 ZINC000888352532 593033911 /nfs/dbraw/zinc/03/39/11/593033911.db2.gz WVAVLMWDRDWNPH-OAHLLOKOSA-N 1 2 338.415 1.369 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nnc(-c3ccccc3)[nH]2)C1 ZINC000888352532 593033913 /nfs/dbraw/zinc/03/39/13/593033913.db2.gz WVAVLMWDRDWNPH-OAHLLOKOSA-N 1 2 338.415 1.369 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2n[nH]c(-c3ccccc3)n2)C1 ZINC000888352532 593033915 /nfs/dbraw/zinc/03/39/15/593033915.db2.gz WVAVLMWDRDWNPH-OAHLLOKOSA-N 1 2 338.415 1.369 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2n[nH]c(-c3ccccc3)n2)C1 ZINC000888352532 593033916 /nfs/dbraw/zinc/03/39/16/593033916.db2.gz WVAVLMWDRDWNPH-OAHLLOKOSA-N 1 2 338.415 1.369 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000888352532 593033918 /nfs/dbraw/zinc/03/39/18/593033918.db2.gz WVAVLMWDRDWNPH-OAHLLOKOSA-N 1 2 338.415 1.369 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000888352532 593033920 /nfs/dbraw/zinc/03/39/20/593033920.db2.gz WVAVLMWDRDWNPH-OAHLLOKOSA-N 1 2 338.415 1.369 20 30 EDEDLO C=CC[C@@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)c1ccncc1 ZINC000805807126 593145783 /nfs/dbraw/zinc/14/57/83/593145783.db2.gz AAFMJVPUHXTXHY-MRXNPFEDSA-N 1 2 349.394 1.779 20 30 EDEDLO C=CCONC(=O)N(C)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000838707893 593206218 /nfs/dbraw/zinc/20/62/18/593206218.db2.gz SEHBGTAPWRHJGE-UHFFFAOYSA-N 1 2 342.440 1.298 20 30 EDEDLO C=CCONC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000838711051 593206562 /nfs/dbraw/zinc/20/65/62/593206562.db2.gz FUJLUMVQGULPAM-UHFFFAOYSA-N 1 2 335.404 1.519 20 30 EDEDLO C=CCN(C(=O)C(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC000839247405 593279717 /nfs/dbraw/zinc/27/97/17/593279717.db2.gz HIDJAOUWELJLPX-UHFFFAOYSA-N 1 2 335.473 1.815 20 30 EDEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H]1COC(=O)c1cccc(C#N)n1 ZINC000810603612 593416038 /nfs/dbraw/zinc/41/60/38/593416038.db2.gz AOUTXHLFLHTDAY-CQSZACIVSA-N 1 2 345.399 1.916 20 30 EDEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H]1COC(=O)c1cccc(C#N)n1 ZINC000810603612 593416039 /nfs/dbraw/zinc/41/60/39/593416039.db2.gz AOUTXHLFLHTDAY-CQSZACIVSA-N 1 2 345.399 1.916 20 30 EDEDLO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000813376779 593530389 /nfs/dbraw/zinc/53/03/89/593530389.db2.gz XJAUKUVEZZZBAM-MJGOQNOKSA-N 1 2 340.427 1.911 20 30 EDEDLO C=CCCCS(=O)(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000813680447 593548076 /nfs/dbraw/zinc/54/80/76/593548076.db2.gz QMWVWOIGMSZIMI-UHFFFAOYSA-N 1 2 331.507 1.781 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1ccncc1Cl ZINC000817321995 593592438 /nfs/dbraw/zinc/59/24/38/593592438.db2.gz HBHWTETXTHHSFX-UHFFFAOYSA-N 1 2 341.868 1.255 20 30 EDEDLO COC(=O)c1conc1C(C)(C)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000823681387 593832763 /nfs/dbraw/zinc/83/27/63/593832763.db2.gz WUCGIVOOLQAWFG-AWEZNQCLSA-N 1 2 329.356 1.891 20 30 EDEDLO COc1cc(C#N)ccc1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000824271999 593973168 /nfs/dbraw/zinc/97/31/68/593973168.db2.gz ZKENHJDMHIGQOM-MELADBBJSA-N 1 2 331.416 1.794 20 30 EDEDLO COc1cc(C#N)ccc1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000824271999 593973170 /nfs/dbraw/zinc/97/31/70/593973170.db2.gz ZKENHJDMHIGQOM-MELADBBJSA-N 1 2 331.416 1.794 20 30 EDEDLO C#C[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@@H]1CCCO1 ZINC000822072090 593989772 /nfs/dbraw/zinc/98/97/72/593989772.db2.gz CXHRWNNZURTGDV-KSZLIROESA-N 1 2 328.412 1.567 20 30 EDEDLO C#C[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@@H]1CCCO1 ZINC000822072090 593989773 /nfs/dbraw/zinc/98/97/73/593989773.db2.gz CXHRWNNZURTGDV-KSZLIROESA-N 1 2 328.412 1.567 20 30 EDEDLO N#Cc1cnc2ccccc2c1N1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000824969064 594107125 /nfs/dbraw/zinc/10/71/25/594107125.db2.gz HWQNWWAANMTWHA-UHFFFAOYSA-N 1 2 346.394 1.721 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCc3nnc(-c4ccccc4)n3C2)CC1 ZINC000825561211 594200747 /nfs/dbraw/zinc/20/07/47/594200747.db2.gz ZKYLDNCKHOZLGE-QGZVFWFLSA-N 1 2 349.438 1.285 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)o1 ZINC000826384782 594454225 /nfs/dbraw/zinc/45/42/25/594454225.db2.gz JQCSWXNGEIZBKZ-UHFFFAOYSA-N 1 2 336.359 1.049 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3O)n2CC)CC1 ZINC000828614451 594463666 /nfs/dbraw/zinc/46/36/66/594463666.db2.gz JQEMETZRURIBGG-UHFFFAOYSA-N 1 2 325.416 1.350 20 30 EDEDLO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830886975 594505680 /nfs/dbraw/zinc/50/56/80/594505680.db2.gz XTBBOECLTKECQP-JSGCOSHPSA-N 1 2 338.791 1.598 20 30 EDEDLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830886975 594505683 /nfs/dbraw/zinc/50/56/83/594505683.db2.gz XTBBOECLTKECQP-JSGCOSHPSA-N 1 2 338.791 1.598 20 30 EDEDLO CC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000827417020 594669920 /nfs/dbraw/zinc/66/99/20/594669920.db2.gz REICLMXUOXZNFA-KRWDZBQOSA-N 1 2 346.406 1.067 20 30 EDEDLO CC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000827417020 594669921 /nfs/dbraw/zinc/66/99/21/594669921.db2.gz REICLMXUOXZNFA-KRWDZBQOSA-N 1 2 346.406 1.067 20 30 EDEDLO CNC(=O)C[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000840704785 594811987 /nfs/dbraw/zinc/81/19/87/594811987.db2.gz QCOVILYXYAXSQF-NSHDSACASA-N 1 2 341.415 1.171 20 30 EDEDLO C[C@@H](ON=C(N)C[NH+]1CCSCC1)C(=O)N(C)C1CCCCC1 ZINC000121440009 594875222 /nfs/dbraw/zinc/87/52/22/594875222.db2.gz OEJBPFFTEAZAHR-CYBMUJFWSA-N 1 2 342.509 1.504 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000836627125 594981772 /nfs/dbraw/zinc/98/17/72/594981772.db2.gz HIZRIDSLOZVSHJ-SWLSCSKDSA-N 1 2 337.383 1.808 20 30 EDEDLO COc1ccc(C(N)=[NH+]O[C@H](C(=O)N2CCOCC2)C(C)C)cc1 ZINC000842021524 595003863 /nfs/dbraw/zinc/00/38/63/595003863.db2.gz PVMSCQIDOLCKBN-HNNXBMFYSA-N 1 2 335.404 1.216 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000837019786 595024610 /nfs/dbraw/zinc/02/46/10/595024610.db2.gz BYNKVRBFCUXAPF-DAYGRLMNSA-N 1 2 339.439 1.567 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000837019786 595024613 /nfs/dbraw/zinc/02/46/13/595024613.db2.gz BYNKVRBFCUXAPF-DAYGRLMNSA-N 1 2 339.439 1.567 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000843675649 595165862 /nfs/dbraw/zinc/16/58/62/595165862.db2.gz MAYYYXUCZRCRFG-MRXNPFEDSA-N 1 2 328.460 1.894 20 30 EDEDLO Nc1ccc2c(c1)CCCC2=[NH+]NC(=S)NCCN1CCOCC1 ZINC000834919789 595238522 /nfs/dbraw/zinc/23/85/22/595238522.db2.gz LBWLNBOSEQTBIH-UHFFFAOYSA-N 1 2 347.488 1.106 20 30 EDEDLO C#CCOc1ccc(C(=O)N2CC[NH+](CCOCCOC)CC2)cc1 ZINC000846617220 595287219 /nfs/dbraw/zinc/28/72/19/595287219.db2.gz MEYSXGRMKGDFAX-UHFFFAOYSA-N 1 2 346.427 1.119 20 30 EDEDLO C=CCCn1cc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)nn1 ZINC000846831253 595323151 /nfs/dbraw/zinc/32/31/51/595323151.db2.gz IAVXKNOWCMJJJW-INIZCTEOSA-N 1 2 330.436 1.533 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(N2CCOC2=O)ccc1F ZINC000844528813 595355880 /nfs/dbraw/zinc/35/58/80/595355880.db2.gz LSCJRYHEUGMHQF-MRXNPFEDSA-N 1 2 334.351 1.356 20 30 EDEDLO COC(=O)CCn1nc(C)c(C=NNCCCn2cc[nH+]c2)c1C ZINC000848418993 595376165 /nfs/dbraw/zinc/37/61/65/595376165.db2.gz WXLWSUMFPNFALA-UHFFFAOYSA-N 1 2 332.408 1.273 20 30 EDEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000845132111 595448429 /nfs/dbraw/zinc/44/84/29/595448429.db2.gz ZBVXSPFCOWCSRV-CVEARBPZSA-N 1 2 339.399 1.445 20 30 EDEDLO CC[C@@H](C#N)C(=O)N(C)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000845439859 595497775 /nfs/dbraw/zinc/49/77/75/595497775.db2.gz MMPWEDRAGOPFJB-AWEZNQCLSA-N 1 2 338.452 1.547 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC000845442615 595498222 /nfs/dbraw/zinc/49/82/22/595498222.db2.gz NGYJBIAMBBKSRO-DLBZAZTESA-N 1 2 331.460 1.096 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC000845442615 595498223 /nfs/dbraw/zinc/49/82/23/595498223.db2.gz NGYJBIAMBBKSRO-DLBZAZTESA-N 1 2 331.460 1.096 20 30 EDEDLO N#Cc1cccnc1NCCOC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845458856 595501258 /nfs/dbraw/zinc/50/12/58/595501258.db2.gz KKJKTBNGQMLGBG-UHFFFAOYSA-N 1 2 325.372 1.684 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)C[C@@H](OC)C2CCCC2)CC1 ZINC000849372560 595515187 /nfs/dbraw/zinc/51/51/87/595515187.db2.gz QFAOCWJERQVZKF-MRXNPFEDSA-N 1 2 328.478 1.162 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112920234 595563283 /nfs/dbraw/zinc/56/32/83/595563283.db2.gz LBQRJXIFXNRHLY-UHFFFAOYSA-N 1 2 330.388 1.564 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(N3CCC(C)CC3)nc2)CC1 ZINC000112920259 595563300 /nfs/dbraw/zinc/56/33/00/595563300.db2.gz KGPHCAYCCGERCD-UHFFFAOYSA-N 1 2 326.444 1.709 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCc2c(C)nc(SC)nc2C)CC1 ZINC000112920232 595563505 /nfs/dbraw/zinc/56/35/05/595563505.db2.gz WZZMITAGSBDINY-UHFFFAOYSA-N 1 2 332.473 1.525 20 30 EDEDLO C=C(C)CNC(=S)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000853027408 595644643 /nfs/dbraw/zinc/64/46/43/595644643.db2.gz BSJKQOSOWCCZSX-GOSISDBHSA-N 1 2 349.500 1.290 20 30 EDEDLO C=C(C)CNC(=S)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000853027408 595644646 /nfs/dbraw/zinc/64/46/46/595644646.db2.gz BSJKQOSOWCCZSX-GOSISDBHSA-N 1 2 349.500 1.290 20 30 EDEDLO N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000855304180 595668283 /nfs/dbraw/zinc/66/82/83/595668283.db2.gz GGEVMLYFIDKJCZ-KUHUBIRLSA-N 1 2 335.411 1.994 20 30 EDEDLO N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000855304180 595668287 /nfs/dbraw/zinc/66/82/87/595668287.db2.gz GGEVMLYFIDKJCZ-KUHUBIRLSA-N 1 2 335.411 1.994 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)O[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000850994192 595697141 /nfs/dbraw/zinc/69/71/41/595697141.db2.gz BTTGIFJNEIHMKC-HOTGVXAUSA-N 1 2 346.431 1.455 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)O[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000850994192 595697144 /nfs/dbraw/zinc/69/71/44/595697144.db2.gz BTTGIFJNEIHMKC-HOTGVXAUSA-N 1 2 346.431 1.455 20 30 EDEDLO CC(C)[C@@H]1CCN(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000853513794 595778339 /nfs/dbraw/zinc/77/83/39/595778339.db2.gz DBBDFSQIQJNIAM-CVEARBPZSA-N 1 2 328.416 1.868 20 30 EDEDLO CC(C)[C@@H]1CCN(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O ZINC000853513794 595778343 /nfs/dbraw/zinc/77/83/43/595778343.db2.gz DBBDFSQIQJNIAM-CVEARBPZSA-N 1 2 328.416 1.868 20 30 EDEDLO N#Cc1ncc(Br)cc1NCC1([NH+]2CCOCC2)CC1 ZINC000853538726 595790619 /nfs/dbraw/zinc/79/06/19/595790619.db2.gz UFTKPEARBKJAFT-UHFFFAOYSA-N 1 2 337.221 1.992 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)c1ccc(Cl)cc1F ZINC000858448061 595797744 /nfs/dbraw/zinc/79/77/44/595797744.db2.gz KSGMCWRCVDGCFI-IUODEOHRSA-N 1 2 339.798 1.783 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)c1ccc(Cl)cc1F ZINC000858448061 595797745 /nfs/dbraw/zinc/79/77/45/595797745.db2.gz KSGMCWRCVDGCFI-IUODEOHRSA-N 1 2 339.798 1.783 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC000853620974 595835369 /nfs/dbraw/zinc/83/53/69/595835369.db2.gz LGLOZSGQQYZSMO-JLVBRIDZSA-N 1 2 335.448 1.662 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC000853620974 595835372 /nfs/dbraw/zinc/83/53/72/595835372.db2.gz LGLOZSGQQYZSMO-JLVBRIDZSA-N 1 2 335.448 1.662 20 30 EDEDLO C#C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000851983969 595996282 /nfs/dbraw/zinc/99/62/82/595996282.db2.gz OAFGHDMMWSFNND-QGZVFWFLSA-N 1 2 342.443 1.778 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000859223433 596009184 /nfs/dbraw/zinc/00/91/84/596009184.db2.gz XQMUWEYNZATAGJ-MRXNPFEDSA-N 1 2 334.379 1.846 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000859223433 596009190 /nfs/dbraw/zinc/00/91/90/596009190.db2.gz XQMUWEYNZATAGJ-MRXNPFEDSA-N 1 2 334.379 1.846 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000859223433 596009195 /nfs/dbraw/zinc/00/91/95/596009195.db2.gz XQMUWEYNZATAGJ-MRXNPFEDSA-N 1 2 334.379 1.846 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)C1CCOCC1 ZINC000852031642 596015782 /nfs/dbraw/zinc/01/57/82/596015782.db2.gz UQXIGXMOYZMPMA-OAHLLOKOSA-N 1 2 331.416 1.935 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2(N(C)C(=O)OC(C)(C)C)CCC2)CC1 ZINC000859357480 596062937 /nfs/dbraw/zinc/06/29/37/596062937.db2.gz QBYQBYLMGXZUDR-UHFFFAOYSA-N 1 2 335.448 1.553 20 30 EDEDLO C#C[C@@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)C1CCOCC1 ZINC000852167229 596067644 /nfs/dbraw/zinc/06/76/44/596067644.db2.gz XOYMYMHVAYHFGS-QGZVFWFLSA-N 1 2 340.427 1.913 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000116762816 596108013 /nfs/dbraw/zinc/10/80/13/596108013.db2.gz NYFGCTOHJPVRGI-FQEVSTJZSA-N 1 2 339.439 1.459 20 30 EDEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000859598651 596142788 /nfs/dbraw/zinc/14/27/88/596142788.db2.gz JLEXYUOAPIYJAQ-GOEBONIOSA-N 1 2 346.383 1.516 20 30 EDEDLO COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000859598651 596142789 /nfs/dbraw/zinc/14/27/89/596142789.db2.gz JLEXYUOAPIYJAQ-GOEBONIOSA-N 1 2 346.383 1.516 20 30 EDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000859598652 596142814 /nfs/dbraw/zinc/14/28/14/596142814.db2.gz JLEXYUOAPIYJAQ-HOCLYGCPSA-N 1 2 346.383 1.516 20 30 EDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000859598652 596142816 /nfs/dbraw/zinc/14/28/16/596142816.db2.gz JLEXYUOAPIYJAQ-HOCLYGCPSA-N 1 2 346.383 1.516 20 30 EDEDLO C=CCOCCCNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000852565040 596198814 /nfs/dbraw/zinc/19/88/14/596198814.db2.gz XDOZKAWWVHBDRT-UHFFFAOYSA-N 1 2 340.493 1.788 20 30 EDEDLO CO[C@H]1C[C@H]2CN(C(=O)C3(C#N)CC(C)C3)Cc3ccc[nH+]c3N2C1 ZINC000870538207 596275809 /nfs/dbraw/zinc/27/58/09/596275809.db2.gz NPUYMZDODZSKDT-ZAKOAHRUSA-N 1 2 340.427 1.957 20 30 EDEDLO C#CCCCS(=O)(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000867770417 596540536 /nfs/dbraw/zinc/54/05/36/596540536.db2.gz VDDZLQCXYOCFCN-UHFFFAOYSA-N 1 2 344.477 1.125 20 30 EDEDLO C#CC[C@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1=O ZINC000865330631 596542164 /nfs/dbraw/zinc/54/21/64/596542164.db2.gz FWBAOHJVIGAJRN-DLBZAZTESA-N 1 2 341.411 1.140 20 30 EDEDLO C#CC[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1=O ZINC000865330631 596542166 /nfs/dbraw/zinc/54/21/66/596542166.db2.gz FWBAOHJVIGAJRN-DLBZAZTESA-N 1 2 341.411 1.140 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)c3[nH+]cccc3C2)C1 ZINC000867877083 596597225 /nfs/dbraw/zinc/59/72/25/596597225.db2.gz AGGDGRMAJVJHKJ-OAHLLOKOSA-N 1 2 340.427 1.122 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2Cc2cc(C)on2)CC1 ZINC000871537123 596617926 /nfs/dbraw/zinc/61/79/26/596617926.db2.gz ZAIFWZWNZASGTK-UHFFFAOYSA-N 1 2 328.420 1.501 20 30 EDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)CSCC#N)CC1 ZINC000871541641 596620624 /nfs/dbraw/zinc/62/06/24/596620624.db2.gz DRLFXRITKFEIPZ-UHFFFAOYSA-N 1 2 327.450 1.165 20 30 EDEDLO CN(CCc1cccc(C#N)c1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000867956594 596634705 /nfs/dbraw/zinc/63/47/05/596634705.db2.gz RRJVSGFRODCHEP-UHFFFAOYSA-N 1 2 344.459 1.853 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)C1=O ZINC000868017192 596656300 /nfs/dbraw/zinc/65/63/00/596656300.db2.gz WUMFVPMRULIUHZ-OLZOCXBDSA-N 1 2 329.391 1.209 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)C1=O ZINC000868017192 596656302 /nfs/dbraw/zinc/65/63/02/596656302.db2.gz WUMFVPMRULIUHZ-OLZOCXBDSA-N 1 2 329.391 1.209 20 30 EDEDLO C[C@H]1OCC[C@@H]1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000871729421 596679638 /nfs/dbraw/zinc/67/96/38/596679638.db2.gz NWYZNGVVZNXINI-RHSMWYFYSA-N 1 2 333.432 1.581 20 30 EDEDLO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(C#N)c1O ZINC000866262181 596841171 /nfs/dbraw/zinc/84/11/71/596841171.db2.gz KJLVDJMEVFLWNW-ZDUSSCGKSA-N 1 2 330.432 1.467 20 30 EDEDLO CC(C)(C=NNC(=S)NCC[NH+]1CCOCC1)[C@@H]1CCCCO1 ZINC000872329206 596881406 /nfs/dbraw/zinc/88/14/06/596881406.db2.gz LTQUQOPXTGWJDL-AWEZNQCLSA-N 1 2 342.509 1.364 20 30 EDEDLO C(=NN=c1[nH]c2cc[nH+]cc2s1)c1cn(C[C@@H]2CCOC2)nn1 ZINC000872411722 596900076 /nfs/dbraw/zinc/90/00/76/596900076.db2.gz RLKYESRPWBFMLB-JTQLQIEISA-N 1 2 329.389 1.765 20 30 EDEDLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c(C#N)c1 ZINC000872491609 596934531 /nfs/dbraw/zinc/93/45/31/596934531.db2.gz PMHVNNDNKCQOMR-MRXNPFEDSA-N 1 2 349.456 1.352 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000872654356 597012222 /nfs/dbraw/zinc/01/22/22/597012222.db2.gz SGVJZCNJKMYGIZ-HUUCEWRRSA-N 1 2 334.441 1.745 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000875915513 597032761 /nfs/dbraw/zinc/03/27/61/597032761.db2.gz YOFXVGPTKGLYOW-KRWDZBQOSA-N 1 2 337.464 1.169 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000875916548 597033283 /nfs/dbraw/zinc/03/32/83/597033283.db2.gz JBZTZCSGFVOLPY-OAHLLOKOSA-N 1 2 331.420 1.045 20 30 EDEDLO C=CC(C)(C)CCCNC(=O)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000872925299 597126081 /nfs/dbraw/zinc/12/60/81/597126081.db2.gz PPAVZVZRNIFLCU-CQSZACIVSA-N 1 2 332.448 1.845 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3nc4ccccc4s3)n2C)CC1 ZINC000873648502 597330711 /nfs/dbraw/zinc/33/07/11/597330711.db2.gz WIBBGAWBWNVXDE-UHFFFAOYSA-N 1 2 338.440 1.847 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccn(C(F)F)c2=O)CC1 ZINC000877567414 597536867 /nfs/dbraw/zinc/53/68/67/597536867.db2.gz XIGYLOXCAKMRAX-UHFFFAOYSA-N 1 2 325.315 1.522 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877789448 597556980 /nfs/dbraw/zinc/55/69/80/597556980.db2.gz IUIDCFHYFHEHFK-ZBFHGGJFSA-N 1 2 333.457 1.491 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877789448 597556981 /nfs/dbraw/zinc/55/69/81/597556981.db2.gz IUIDCFHYFHEHFK-ZBFHGGJFSA-N 1 2 333.457 1.491 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000881438554 597619164 /nfs/dbraw/zinc/61/91/64/597619164.db2.gz YXJVIEKXHMWGGZ-HXUWFJFHSA-N 1 2 338.451 1.975 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000881438554 597619166 /nfs/dbraw/zinc/61/91/66/597619166.db2.gz YXJVIEKXHMWGGZ-HXUWFJFHSA-N 1 2 338.451 1.975 20 30 EDEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000879766485 597718454 /nfs/dbraw/zinc/71/84/54/597718454.db2.gz YUEJOEQYRFMMOT-UKRRQHHQSA-N 1 2 341.333 1.735 20 30 EDEDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000879766485 597718455 /nfs/dbraw/zinc/71/84/55/597718455.db2.gz YUEJOEQYRFMMOT-UKRRQHHQSA-N 1 2 341.333 1.735 20 30 EDEDLO C#CC1(F)CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000883800480 597906915 /nfs/dbraw/zinc/90/69/15/597906915.db2.gz HBAZQCQULDKENZ-UHFFFAOYSA-N 1 2 334.420 1.502 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000884097590 597993988 /nfs/dbraw/zinc/99/39/88/597993988.db2.gz JXBKLPOPURGWID-BQFCYCMXSA-N 1 2 346.427 1.717 20 30 EDEDLO C[C@@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H](C)N1CC#N ZINC000914167906 695254644 /nfs/dbraw/zinc/25/46/44/695254644.db2.gz BQBHEFNVXPEQCV-GASCZTMLSA-N 1 2 344.463 1.390 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](NC(=O)C3CC3)[C@@H]2C)c1 ZINC000992952813 695474220 /nfs/dbraw/zinc/47/42/20/695474220.db2.gz DFUPMJAGCYLNEG-KSSFIOAISA-N 1 2 339.439 1.986 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](NC(=O)C3CC3)[C@@H]2C)c1 ZINC000992952813 695474221 /nfs/dbraw/zinc/47/42/21/695474221.db2.gz DFUPMJAGCYLNEG-KSSFIOAISA-N 1 2 339.439 1.986 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2coc(C(N)=O)c2)[C@H]1C ZINC000993627522 696291013 /nfs/dbraw/zinc/29/10/13/696291013.db2.gz YPAZCKKRSKANJC-PWSUYJOCSA-N 1 2 325.796 1.714 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2coc(C(N)=O)c2)[C@H]1C ZINC000993627522 696291014 /nfs/dbraw/zinc/29/10/14/696291014.db2.gz YPAZCKKRSKANJC-PWSUYJOCSA-N 1 2 325.796 1.714 20 30 EDEDLO N#Cc1cnc(NC2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)c(F)c1 ZINC001060624892 696438596 /nfs/dbraw/zinc/43/85/96/696438596.db2.gz PBDVRJXSEGNOPX-UHFFFAOYSA-N 1 2 342.378 1.897 20 30 EDEDLO C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@@H]1C ZINC000993929315 696448539 /nfs/dbraw/zinc/44/85/39/696448539.db2.gz OWZZZVDHFRNWNH-STQMWFEESA-N 1 2 338.429 1.289 20 30 EDEDLO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@@H]1C ZINC000993929315 696448540 /nfs/dbraw/zinc/44/85/40/696448540.db2.gz OWZZZVDHFRNWNH-STQMWFEESA-N 1 2 338.429 1.289 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2nnnc2C(C)C)[C@H]1C ZINC000993957469 696463624 /nfs/dbraw/zinc/46/36/24/696463624.db2.gz CBDWLFMSNWSFLV-OLZOCXBDSA-N 1 2 340.859 1.518 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2nnnc2C(C)C)[C@H]1C ZINC000993957469 696463625 /nfs/dbraw/zinc/46/36/25/696463625.db2.gz CBDWLFMSNWSFLV-OLZOCXBDSA-N 1 2 340.859 1.518 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993995411 696486147 /nfs/dbraw/zinc/48/61/47/696486147.db2.gz PVBCMMGNMHEGJO-CZUORRHYSA-N 1 2 338.415 1.470 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993995411 696486148 /nfs/dbraw/zinc/48/61/48/696486148.db2.gz PVBCMMGNMHEGJO-CZUORRHYSA-N 1 2 338.415 1.470 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2c(C)csc2=O)[C@H]1C ZINC000994399898 696822527 /nfs/dbraw/zinc/82/25/27/696822527.db2.gz KZSYRPBDXNEZHA-OLZOCXBDSA-N 1 2 343.880 1.940 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2c(C)csc2=O)[C@H]1C ZINC000994399898 696822530 /nfs/dbraw/zinc/82/25/30/696822530.db2.gz KZSYRPBDXNEZHA-OLZOCXBDSA-N 1 2 343.880 1.940 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@H]1C ZINC000994428343 696855538 /nfs/dbraw/zinc/85/55/38/696855538.db2.gz KZHGRKWNZIMCQE-CHWSQXEVSA-N 1 2 348.838 1.388 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nc3ncccn3n2)[C@H]1C ZINC000994428343 696855540 /nfs/dbraw/zinc/85/55/40/696855540.db2.gz KZHGRKWNZIMCQE-CHWSQXEVSA-N 1 2 348.838 1.388 20 30 EDEDLO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2nc(C3CC3)no2)cc1 ZINC000917013653 696876930 /nfs/dbraw/zinc/87/69/30/696876930.db2.gz RXOGMGILUHBQCQ-CQSZACIVSA-N 1 2 328.372 1.543 20 30 EDEDLO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)CC1 ZINC000917098249 696921778 /nfs/dbraw/zinc/92/17/78/696921778.db2.gz UGBFPSUDXIDCDR-UHFFFAOYSA-N 1 2 348.451 1.440 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CCC2(C1)CC[NH+](Cc1nnnn1C)CC2 ZINC001040831585 697192209 /nfs/dbraw/zinc/19/22/09/697192209.db2.gz VRGGVXXJXZHFNV-KRWDZBQOSA-N 1 2 346.479 1.627 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)nn1C ZINC001031569976 697264869 /nfs/dbraw/zinc/26/48/69/697264869.db2.gz KUVGPTKUCUEGGY-UHFFFAOYSA-N 1 2 340.402 1.581 20 30 EDEDLO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031577659 697274062 /nfs/dbraw/zinc/27/40/62/697274062.db2.gz CPCMLLHMIFPPTO-GJZGRUSLSA-N 1 2 345.374 1.054 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000994616814 697320333 /nfs/dbraw/zinc/32/03/33/697320333.db2.gz SHLFAWLIBUIPPC-FZKQIMNGSA-N 1 2 330.432 1.375 20 30 EDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000919804735 697336311 /nfs/dbraw/zinc/33/63/11/697336311.db2.gz CAARKWIJVXJNOS-CJNGLKHVSA-N 1 2 349.394 1.434 20 30 EDEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000919804735 697336313 /nfs/dbraw/zinc/33/63/13/697336313.db2.gz CAARKWIJVXJNOS-CJNGLKHVSA-N 1 2 349.394 1.434 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921093577 697513578 /nfs/dbraw/zinc/51/35/78/697513578.db2.gz QBUNZPIBSWAPJV-NSHDSACASA-N 1 2 345.494 1.021 20 30 EDEDLO C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000921413783 697597995 /nfs/dbraw/zinc/59/79/95/697597995.db2.gz UIPNMAWDSORUCA-LLVKDONJSA-N 1 2 344.234 1.303 20 30 EDEDLO C[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000921413783 697597997 /nfs/dbraw/zinc/59/79/97/697597997.db2.gz UIPNMAWDSORUCA-LLVKDONJSA-N 1 2 344.234 1.303 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2c(F)cc(C)cc2F)CC1 ZINC000921436974 697612615 /nfs/dbraw/zinc/61/26/15/697612615.db2.gz JAEGWPJJCVQKJS-UHFFFAOYSA-N 1 2 328.384 1.649 20 30 EDEDLO CCn1cc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)nn1 ZINC001032081240 698347527 /nfs/dbraw/zinc/34/75/27/698347527.db2.gz IRVNDJNVLWOVQX-UHFFFAOYSA-N 1 2 342.378 1.171 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000938715533 698542660 /nfs/dbraw/zinc/54/26/60/698542660.db2.gz RLSUFTKZQRDOCT-OAHLLOKOSA-N 1 2 330.432 1.758 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000938715533 698542661 /nfs/dbraw/zinc/54/26/61/698542661.db2.gz RLSUFTKZQRDOCT-OAHLLOKOSA-N 1 2 330.432 1.758 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCCC3(F)F)CC2)C1 ZINC000941501410 701561296 /nfs/dbraw/zinc/56/12/96/701561296.db2.gz CQZPAHYVZBJECA-HNNXBMFYSA-N 1 2 325.403 1.274 20 30 EDEDLO Cn1ncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c1Cl ZINC001031771627 699092308 /nfs/dbraw/zinc/09/23/08/699092308.db2.gz CQLOBNFVROUBLP-UHFFFAOYSA-N 1 2 349.847 1.868 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3cccs3)CC2)C1 ZINC000941513559 701566346 /nfs/dbraw/zinc/56/63/46/701566346.db2.gz IVIOHEZNRUIRTR-UHFFFAOYSA-N 1 2 345.512 1.877 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001031783348 699209768 /nfs/dbraw/zinc/20/97/68/699209768.db2.gz VZKNHTOPDOKHCH-GOSISDBHSA-N 1 2 349.438 1.565 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ncsc3C3CC3)CC2)C1 ZINC000941565031 701584533 /nfs/dbraw/zinc/58/45/33/701584533.db2.gz QUQGJIRODVJMTP-UHFFFAOYSA-N 1 2 330.457 1.096 20 30 EDEDLO CN(C)c1ccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)cn1 ZINC001031804706 699407871 /nfs/dbraw/zinc/40/78/71/699407871.db2.gz JKJRRODFVMHXFY-UHFFFAOYSA-N 1 2 349.438 1.881 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3F)CC2)C1 ZINC000941599942 701592419 /nfs/dbraw/zinc/59/24/19/701592419.db2.gz NPLMGVGITYIYHA-ZWKOTPCHSA-N 1 2 341.430 1.391 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)CC2)C1 ZINC000941600124 701592444 /nfs/dbraw/zinc/59/24/44/701592444.db2.gz VVJLXQVJIDDYQG-IAGOWNOFSA-N 1 2 343.496 1.622 20 30 EDEDLO Cn1cncc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031819696 699560172 /nfs/dbraw/zinc/56/01/72/699560172.db2.gz YVPKTRYDUKXRPU-UHFFFAOYSA-N 1 2 327.363 1.293 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@]3(CC)C(C)C)CC2)C1 ZINC000941622312 701604396 /nfs/dbraw/zinc/60/43/96/701604396.db2.gz GSORWIIXKMIUDL-QUCCMNQESA-N 1 2 331.504 1.910 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nc(C)no3)C2)nc1 ZINC000939554386 699704522 /nfs/dbraw/zinc/70/45/22/699704522.db2.gz HOJZSZWGJNXPKV-ABAIWWIYSA-N 1 2 325.372 1.005 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nc(C)no3)C2)cn1 ZINC000939566322 699708916 /nfs/dbraw/zinc/70/89/16/699708916.db2.gz ADPIQPZTLLBDGA-ABAIWWIYSA-N 1 2 325.372 1.005 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cnsn3)C2)cn1 ZINC000939569445 699712698 /nfs/dbraw/zinc/71/26/98/699712698.db2.gz ZZRHYVOPRQSEBW-ABAIWWIYSA-N 1 2 327.413 1.165 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3ccccc3Cl)CC2)C1 ZINC000941665230 701619130 /nfs/dbraw/zinc/61/91/30/701619130.db2.gz NVADUEFMQFGLLB-UHFFFAOYSA-N 1 2 347.846 1.180 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cnc3cc(OC)ccn32)C1 ZINC001031847570 699910417 /nfs/dbraw/zinc/91/04/17/699910417.db2.gz WWWWAVQDQAMEMQ-UHFFFAOYSA-N 1 2 334.807 1.757 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cn3ccc4ccccc43)CC2)C1 ZINC000941668034 701622168 /nfs/dbraw/zinc/62/21/68/701622168.db2.gz CLFWHHKOQKRHTO-UHFFFAOYSA-N 1 2 336.439 1.103 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000945437388 700288531 /nfs/dbraw/zinc/28/85/31/700288531.db2.gz HXPIRFBPFROQQQ-GOEBONIOSA-N 1 2 346.475 1.918 20 30 EDEDLO C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001060766870 700511940 /nfs/dbraw/zinc/51/19/40/700511940.db2.gz HTGQPISYEFZDKO-QAQDUYKDSA-N 1 2 344.459 1.868 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(OC)nn3)C2)cc1 ZINC001031892605 700688704 /nfs/dbraw/zinc/68/87/04/700688704.db2.gz LGZHMZWQAYTCQR-UHFFFAOYSA-N 1 2 336.395 1.328 20 30 EDEDLO Cn1ncc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)n1 ZINC000940659274 700820657 /nfs/dbraw/zinc/82/06/57/700820657.db2.gz VHYBRSFHRIJOKV-HNNXBMFYSA-N 1 2 341.419 1.045 20 30 EDEDLO Cn1ncc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)n1 ZINC000940659274 700820659 /nfs/dbraw/zinc/82/06/59/700820659.db2.gz VHYBRSFHRIJOKV-HNNXBMFYSA-N 1 2 341.419 1.045 20 30 EDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940795789 700915016 /nfs/dbraw/zinc/91/50/16/700915016.db2.gz SRHOMOMYHVGZKG-CABCVRRESA-N 1 2 340.489 1.194 20 30 EDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCS2(=O)=O)C(C)(C)C1 ZINC000940795789 700915018 /nfs/dbraw/zinc/91/50/18/700915018.db2.gz SRHOMOMYHVGZKG-CABCVRRESA-N 1 2 340.489 1.194 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000941183078 701388718 /nfs/dbraw/zinc/38/87/18/701388718.db2.gz BRLGQNBIWYWDHC-CQSZACIVSA-N 1 2 332.448 1.861 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000941183078 701388719 /nfs/dbraw/zinc/38/87/19/701388719.db2.gz BRLGQNBIWYWDHC-CQSZACIVSA-N 1 2 332.448 1.861 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3C3CCCC3)CC2)C1 ZINC000941427299 701525951 /nfs/dbraw/zinc/52/59/51/701525951.db2.gz VNNUCLVQOKZYPX-UHFFFAOYSA-N 1 2 341.459 1.073 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3oc(C(F)F)cc3C)CC2)C1 ZINC000941444488 701536279 /nfs/dbraw/zinc/53/62/79/701536279.db2.gz OWODYUHUSSVZFA-UHFFFAOYSA-N 1 2 337.370 1.601 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000943989342 701815851 /nfs/dbraw/zinc/81/58/51/701815851.db2.gz RMADQYBOGXTULZ-KFWWJZLASA-N 1 2 346.431 1.041 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)o1 ZINC000941968263 702229578 /nfs/dbraw/zinc/22/95/78/702229578.db2.gz WCWPLVLOEHKUJW-MFKMUULPSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)o1 ZINC000941968263 702229583 /nfs/dbraw/zinc/22/95/83/702229583.db2.gz WCWPLVLOEHKUJW-MFKMUULPSA-N 1 2 328.376 1.218 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nccn3C)C[C@@H]2C)nc1 ZINC000944192409 702484337 /nfs/dbraw/zinc/48/43/37/702484337.db2.gz LMLCZPUVTNUAHR-HOCLYGCPSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nccn3C)C[C@@H]2C)nc1 ZINC000944192409 702484343 /nfs/dbraw/zinc/48/43/43/702484343.db2.gz LMLCZPUVTNUAHR-HOCLYGCPSA-N 1 2 337.427 1.437 20 30 EDEDLO CCN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000942863692 703376810 /nfs/dbraw/zinc/37/68/10/703376810.db2.gz COCKPPJIPQODFN-UONOGXRCSA-N 1 2 339.399 1.557 20 30 EDEDLO C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795195 703378906 /nfs/dbraw/zinc/37/89/06/703378906.db2.gz GXEOISRQBUXNHA-SHTZXODSSA-N 1 2 330.432 1.547 20 30 EDEDLO CCn1nncc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032392407 703384743 /nfs/dbraw/zinc/38/47/43/703384743.db2.gz XQEYPNWQFWMBSU-HOTGVXAUSA-N 1 2 336.399 1.269 20 30 EDEDLO CCn1nncc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032392407 703384746 /nfs/dbraw/zinc/38/47/46/703384746.db2.gz XQEYPNWQFWMBSU-HOTGVXAUSA-N 1 2 336.399 1.269 20 30 EDEDLO COCc1nocc1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001015980403 703489666 /nfs/dbraw/zinc/48/96/66/703489666.db2.gz DHZACSMSHUMTNZ-MRXNPFEDSA-N 1 2 339.395 1.677 20 30 EDEDLO COCc1nocc1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001015980403 703489667 /nfs/dbraw/zinc/48/96/67/703489667.db2.gz DHZACSMSHUMTNZ-MRXNPFEDSA-N 1 2 339.395 1.677 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)cc1 ZINC000997334051 703562328 /nfs/dbraw/zinc/56/23/28/703562328.db2.gz GRXQMHRUEOGBFQ-IAGOWNOFSA-N 1 2 348.406 1.146 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3n[nH]nc3c2)CC1 ZINC001004457439 704450615 /nfs/dbraw/zinc/45/06/15/704450615.db2.gz KVTQWYQIGXEREU-HNNXBMFYSA-N 1 2 339.403 1.193 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cnc3n[nH]nc3c2)CC1 ZINC001004457439 704450616 /nfs/dbraw/zinc/45/06/16/704450616.db2.gz KVTQWYQIGXEREU-HNNXBMFYSA-N 1 2 339.403 1.193 20 30 EDEDLO Cc1cc(OCC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)no1 ZINC001004466267 704457814 /nfs/dbraw/zinc/45/78/14/704457814.db2.gz UIUSBMCNLXNXAA-OAHLLOKOSA-N 1 2 332.404 1.588 20 30 EDEDLO Cc1cc(OCC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)no1 ZINC001004466267 704457816 /nfs/dbraw/zinc/45/78/16/704457816.db2.gz UIUSBMCNLXNXAA-OAHLLOKOSA-N 1 2 332.404 1.588 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C(N)=O)c1 ZINC001032562856 704818003 /nfs/dbraw/zinc/81/80/03/704818003.db2.gz GNUUXVATGBSIRC-HOTGVXAUSA-N 1 2 327.428 1.783 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C(N)=O)c1 ZINC001032562856 704818011 /nfs/dbraw/zinc/81/80/11/704818011.db2.gz GNUUXVATGBSIRC-HOTGVXAUSA-N 1 2 327.428 1.783 20 30 EDEDLO CCc1noc(C[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)n1 ZINC000995688585 705529124 /nfs/dbraw/zinc/52/91/24/705529124.db2.gz LONFBVVQPQVBMO-ZDUSSCGKSA-N 1 2 342.403 1.472 20 30 EDEDLO N#CCN[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000998273779 705654247 /nfs/dbraw/zinc/65/42/47/705654247.db2.gz CSMIMQCZRPDQKM-NEPJUHHUSA-N 1 2 329.326 1.166 20 30 EDEDLO Cc1nc([C@H](C)[NH2+]C2CC(N(C)C(=O)c3c[nH]c(C#N)c3)C2)no1 ZINC000998660499 706091162 /nfs/dbraw/zinc/09/11/62/706091162.db2.gz LTRKHYWTYWTJGL-VOALNZTBSA-N 1 2 328.376 1.532 20 30 EDEDLO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C3)C1 ZINC000999738614 707285600 /nfs/dbraw/zinc/28/56/00/707285600.db2.gz OYNKQMPCDDQHEY-RDBSUJKOSA-N 1 2 328.416 1.557 20 30 EDEDLO CCc1noc(C[NH2+][C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998960731 706380561 /nfs/dbraw/zinc/38/05/61/706380561.db2.gz IIMXJWAHXYGNFC-LBPRGKRZSA-N 1 2 328.376 1.226 20 30 EDEDLO N#Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)c[nH]1 ZINC000998957313 706397189 /nfs/dbraw/zinc/39/71/89/706397189.db2.gz PHQJMWCIKDVXQG-CYBMUJFWSA-N 1 2 340.387 1.541 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001033249312 707230488 /nfs/dbraw/zinc/23/04/88/707230488.db2.gz RXNIWEDWNRYVMN-STQMWFEESA-N 1 2 328.844 1.062 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001033249312 707230491 /nfs/dbraw/zinc/23/04/91/707230491.db2.gz RXNIWEDWNRYVMN-STQMWFEESA-N 1 2 328.844 1.062 20 30 EDEDLO N#Cc1c(F)cccc1NC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001060885354 707273996 /nfs/dbraw/zinc/27/39/96/707273996.db2.gz OQWUWRNBZPXOKI-ZDUSSCGKSA-N 1 2 327.363 1.854 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033311657 707467636 /nfs/dbraw/zinc/46/76/36/707467636.db2.gz GKODAVKFBFTMMJ-ZDUSSCGKSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033311657 707467637 /nfs/dbraw/zinc/46/76/37/707467637.db2.gz GKODAVKFBFTMMJ-ZDUSSCGKSA-N 1 2 345.403 1.895 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001061591166 707605427 /nfs/dbraw/zinc/60/54/27/707605427.db2.gz CGIBZVYGRPPKFK-JKSUJKDBSA-N 1 2 348.447 1.534 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CNc2ncc(C#N)cc2F)C1 ZINC001060901918 707705525 /nfs/dbraw/zinc/70/55/25/707705525.db2.gz HVUMBISVWJJKMD-GFCCVEGCSA-N 1 2 342.378 1.627 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO[C@H]2CC2(F)F)cn1 ZINC001032739825 707766197 /nfs/dbraw/zinc/76/61/97/707766197.db2.gz NOKYXUITXANWQR-JYJNAYRXSA-N 1 2 347.365 1.386 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO[C@H]2CC2(F)F)cn1 ZINC001032739825 707766200 /nfs/dbraw/zinc/76/62/00/707766200.db2.gz NOKYXUITXANWQR-JYJNAYRXSA-N 1 2 347.365 1.386 20 30 EDEDLO N#Cc1cnc(NC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC001060913449 707802667 /nfs/dbraw/zinc/80/26/67/707802667.db2.gz JBEMQXGLNRAKBY-LLVKDONJSA-N 1 2 344.806 1.833 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)cn3)C2)c1 ZINC001033404997 707813915 /nfs/dbraw/zinc/81/39/15/707813915.db2.gz HVQWWZAWLFAOJV-SFHVURJKSA-N 1 2 338.386 1.944 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)c1 ZINC001033404997 707813921 /nfs/dbraw/zinc/81/39/21/707813921.db2.gz HVQWWZAWLFAOJV-SFHVURJKSA-N 1 2 338.386 1.944 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(F)cn3)C2)c1 ZINC001033404996 707814358 /nfs/dbraw/zinc/81/43/58/707814358.db2.gz HVQWWZAWLFAOJV-GOSISDBHSA-N 1 2 338.386 1.944 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)c1 ZINC001033404996 707814362 /nfs/dbraw/zinc/81/43/62/707814362.db2.gz HVQWWZAWLFAOJV-GOSISDBHSA-N 1 2 338.386 1.944 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001004990565 707851963 /nfs/dbraw/zinc/85/19/63/707851963.db2.gz LQGUIEXSYBVXGS-CABCVRRESA-N 1 2 332.448 1.839 20 30 EDEDLO N#Cc1cncc(NC[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)C2)n1 ZINC001060944311 708010381 /nfs/dbraw/zinc/01/03/81/708010381.db2.gz INNCCRICPBWWIH-ZDUSSCGKSA-N 1 2 347.382 1.570 20 30 EDEDLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033517675 708131758 /nfs/dbraw/zinc/13/17/58/708131758.db2.gz HWYYZMRESWQOSI-ZDUSSCGKSA-N 1 2 328.351 1.162 20 30 EDEDLO CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033517675 708131761 /nfs/dbraw/zinc/13/17/61/708131761.db2.gz HWYYZMRESWQOSI-ZDUSSCGKSA-N 1 2 328.351 1.162 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001033543133 708203157 /nfs/dbraw/zinc/20/31/57/708203157.db2.gz IJIZGMSQXVYCHB-JSGCOSHPSA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001033543133 708203158 /nfs/dbraw/zinc/20/31/58/708203158.db2.gz IJIZGMSQXVYCHB-JSGCOSHPSA-N 1 2 331.254 1.854 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(C)n(C)n3)C2)nc1 ZINC001033588980 708283424 /nfs/dbraw/zinc/28/34/24/708283424.db2.gz AAWGDJONRPNMAO-KRWDZBQOSA-N 1 2 337.427 1.451 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C2)nc1 ZINC001033588980 708283426 /nfs/dbraw/zinc/28/34/26/708283426.db2.gz AAWGDJONRPNMAO-KRWDZBQOSA-N 1 2 337.427 1.451 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccn(CC)n3)C2)cn1 ZINC001033603831 708325177 /nfs/dbraw/zinc/32/51/77/708325177.db2.gz OJJRKKTVGBGRSG-SFHVURJKSA-N 1 2 337.427 1.626 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccn(CC)n3)C2)cn1 ZINC001033603831 708325179 /nfs/dbraw/zinc/32/51/79/708325179.db2.gz OJJRKKTVGBGRSG-SFHVURJKSA-N 1 2 337.427 1.626 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001033797761 708729007 /nfs/dbraw/zinc/72/90/07/708729007.db2.gz HFHSUDPCFVRWCU-SMDDNHRTSA-N 1 2 342.403 1.875 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001033797761 708729009 /nfs/dbraw/zinc/72/90/09/708729009.db2.gz HFHSUDPCFVRWCU-SMDDNHRTSA-N 1 2 342.403 1.875 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H](Nc2ncccc2C#N)C1 ZINC001061094480 709029501 /nfs/dbraw/zinc/02/95/01/709029501.db2.gz FZSFNFPLYWCMPT-LSDHHAIUSA-N 1 2 338.415 1.769 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001033953341 709133993 /nfs/dbraw/zinc/13/39/93/709133993.db2.gz CBZAONVSNGWLLT-MJBXVCDLSA-N 1 2 327.856 1.386 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001033953341 709133995 /nfs/dbraw/zinc/13/39/95/709133995.db2.gz CBZAONVSNGWLLT-MJBXVCDLSA-N 1 2 327.856 1.386 20 30 EDEDLO Cc1noc([C@H](C)[N@@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001034164887 709438163 /nfs/dbraw/zinc/43/81/63/709438163.db2.gz IXYJQAYLWQKDFA-FZMZJTMJSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1noc([C@H](C)[N@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001034164887 709438165 /nfs/dbraw/zinc/43/81/65/709438165.db2.gz IXYJQAYLWQKDFA-FZMZJTMJSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1nnc([C@@H](C)[N@@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001034170879 709483835 /nfs/dbraw/zinc/48/38/35/709483835.db2.gz FGKROIJXJIUHEK-RISCZKNCSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1nnc([C@@H](C)[N@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001034170879 709483836 /nfs/dbraw/zinc/48/38/36/709483836.db2.gz FGKROIJXJIUHEK-RISCZKNCSA-N 1 2 342.403 1.923 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC001003029419 709835726 /nfs/dbraw/zinc/83/57/26/709835726.db2.gz AKRROJXRVQTLJR-AWEZNQCLSA-N 1 2 342.447 1.758 20 30 EDEDLO CN(c1cnc(C#N)cn1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001061244769 709925188 /nfs/dbraw/zinc/92/51/88/709925188.db2.gz PXZCYIGTWZDJAS-HNNXBMFYSA-N 1 2 339.403 1.062 20 30 EDEDLO C=C(C)CCC(=O)NCCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001058081599 709990839 /nfs/dbraw/zinc/99/08/39/709990839.db2.gz OZQKLDAGDYDEDR-UHFFFAOYSA-N 1 2 344.415 1.241 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061755560 710150295 /nfs/dbraw/zinc/15/02/95/710150295.db2.gz MQSAUCPEXJFSSM-MGPQQGTHSA-N 1 2 346.431 1.069 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061755560 710150296 /nfs/dbraw/zinc/15/02/96/710150296.db2.gz MQSAUCPEXJFSSM-MGPQQGTHSA-N 1 2 346.431 1.069 20 30 EDEDLO C#CCC1(NC(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)CCC1 ZINC000922214552 710456068 /nfs/dbraw/zinc/45/60/68/710456068.db2.gz ZSCDCJQGBUCBEQ-UHFFFAOYSA-N 1 2 349.475 1.502 20 30 EDEDLO C=CCn1cc(C(=O)NC2CC[NH+]([C@@H](C)c3ncccn3)CC2)nn1 ZINC001003755167 710537292 /nfs/dbraw/zinc/53/72/92/710537292.db2.gz RGEOBOLBTMXSMR-ZDUSSCGKSA-N 1 2 341.419 1.210 20 30 EDEDLO C=CCCn1cc(C(=O)NC2CC[NH+](Cc3ncc(C)o3)CC2)nn1 ZINC001003766401 710543267 /nfs/dbraw/zinc/54/32/67/710543267.db2.gz KTGWKBIMJKHYQZ-UHFFFAOYSA-N 1 2 344.419 1.545 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032979464 711102345 /nfs/dbraw/zinc/10/23/45/711102345.db2.gz DFCVQQKUEANRSV-MRXNPFEDSA-N 1 2 341.390 1.696 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032979464 711102348 /nfs/dbraw/zinc/10/23/48/711102348.db2.gz DFCVQQKUEANRSV-MRXNPFEDSA-N 1 2 341.390 1.696 20 30 EDEDLO COc1cncc(C[N@@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001032984553 711141430 /nfs/dbraw/zinc/14/14/30/711141430.db2.gz BFSNLBHGPPXJDL-AWEZNQCLSA-N 1 2 340.387 1.031 20 30 EDEDLO COc1cncc(C[N@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001032984553 711141433 /nfs/dbraw/zinc/14/14/33/711141433.db2.gz BFSNLBHGPPXJDL-AWEZNQCLSA-N 1 2 340.387 1.031 20 30 EDEDLO C=CCC(CC=C)C(=O)N1CCOC[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001061817308 711277049 /nfs/dbraw/zinc/27/70/49/711277049.db2.gz FPBDQFBQXOJWQA-OAHLLOKOSA-N 1 2 346.431 1.064 20 30 EDEDLO CCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)n1 ZINC001034895738 711318069 /nfs/dbraw/zinc/31/80/69/711318069.db2.gz PQCFUSYXXNOYBX-CYBMUJFWSA-N 1 2 342.403 1.616 20 30 EDEDLO CCO[C@H](C)c1noc(C[NH2+]C[C@H]2CCCN2C(=O)C#CC2CC2)n1 ZINC001034930661 711353138 /nfs/dbraw/zinc/35/31/38/711353138.db2.gz YRJHTPPXMOTNIV-UKRRQHHQSA-N 1 2 346.431 1.661 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001004056559 711358383 /nfs/dbraw/zinc/35/83/83/711358383.db2.gz SMUBYQGFOFQBGI-UHFFFAOYSA-N 1 2 337.427 1.120 20 30 EDEDLO Cc1nnsc1C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001033023922 711394409 /nfs/dbraw/zinc/39/44/09/711394409.db2.gz ZDSGHIWDRKHHNL-GFCCVEGCSA-N 1 2 330.417 1.393 20 30 EDEDLO Cc1nnsc1C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001033023922 711394411 /nfs/dbraw/zinc/39/44/11/711394411.db2.gz ZDSGHIWDRKHHNL-GFCCVEGCSA-N 1 2 330.417 1.393 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CC2OCCCO2)C1 ZINC001033035544 711488173 /nfs/dbraw/zinc/48/81/73/711488173.db2.gz IDFPEHDLOBKEKB-GFCCVEGCSA-N 1 2 347.253 1.581 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2OCCCO2)C1 ZINC001033035544 711488175 /nfs/dbraw/zinc/48/81/75/711488175.db2.gz IDFPEHDLOBKEKB-GFCCVEGCSA-N 1 2 347.253 1.581 20 30 EDEDLO C=CCCC(=O)NC[C@H]1COCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001061410787 711597768 /nfs/dbraw/zinc/59/77/68/711597768.db2.gz UFVCSSVGHJTIAC-GJZGRUSLSA-N 1 2 334.420 1.144 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001004492785 711876819 /nfs/dbraw/zinc/87/68/19/711876819.db2.gz ITIOMRMMRCJZNM-SUMCQTLJSA-N 1 2 329.444 1.636 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001004492785 711876822 /nfs/dbraw/zinc/87/68/22/711876822.db2.gz ITIOMRMMRCJZNM-SUMCQTLJSA-N 1 2 329.444 1.636 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CCN(C(N)=O)CC2)CC1 ZINC001004623173 712069973 /nfs/dbraw/zinc/06/99/73/712069973.db2.gz PYWGCRVFACVPEI-INIZCTEOSA-N 1 2 347.463 1.004 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CCN(C(N)=O)CC2)CC1 ZINC001004623173 712069974 /nfs/dbraw/zinc/06/99/74/712069974.db2.gz PYWGCRVFACVPEI-INIZCTEOSA-N 1 2 347.463 1.004 20 30 EDEDLO CC(=O)NC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000050991146 214075005 /nfs/dbraw/zinc/07/50/05/214075005.db2.gz SIKSPXNNKOUCLN-NSHDSACASA-N 1 2 332.404 1.696 20 30 EDEDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000055290687 214303172 /nfs/dbraw/zinc/30/31/72/214303172.db2.gz IBTYVCIFDHFSJE-ZIAGYGMSSA-N 1 2 337.445 1.336 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)NCc2ccc[nH+]c2N(C)C)c1C#N ZINC000174631535 231262353 /nfs/dbraw/zinc/26/23/53/231262353.db2.gz QCWQNZMBYFWKQM-UHFFFAOYSA-N 1 2 337.383 1.583 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000098134803 219084646 /nfs/dbraw/zinc/08/46/46/219084646.db2.gz MKYZIVRFRNKZJU-CQSZACIVSA-N 1 2 347.846 1.626 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000098134803 219084648 /nfs/dbraw/zinc/08/46/48/219084648.db2.gz MKYZIVRFRNKZJU-CQSZACIVSA-N 1 2 347.846 1.626 20 30 EDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NC[C@H]1COCCO1 ZINC000329094662 539406203 /nfs/dbraw/zinc/40/62/03/539406203.db2.gz BAKWRWRIDYHVIA-JTQLQIEISA-N 1 2 336.314 1.207 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2csc(Br)c2)C1 ZINC000329114399 539632402 /nfs/dbraw/zinc/63/24/02/539632402.db2.gz SHEDJMVUVXTNNQ-JTQLQIEISA-N 1 2 348.266 1.845 20 30 EDEDLO C[N@H+]1CCO[C@@H](CNC(=O)NCc2csc(Br)c2)C1 ZINC000329114399 539632405 /nfs/dbraw/zinc/63/24/05/539632405.db2.gz SHEDJMVUVXTNNQ-JTQLQIEISA-N 1 2 348.266 1.845 20 30 EDEDLO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1ncc(C#N)cn1 ZINC000561239105 306285067 /nfs/dbraw/zinc/28/50/67/306285067.db2.gz MRTYBRMTSCDZBO-DNVCBOLYSA-N 1 2 338.411 1.890 20 30 EDEDLO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ncc(C#N)cn1 ZINC000561239105 306285068 /nfs/dbraw/zinc/28/50/68/306285068.db2.gz MRTYBRMTSCDZBO-DNVCBOLYSA-N 1 2 338.411 1.890 20 30 EDEDLO C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1ncc(C#N)cn1 ZINC000561239106 306285150 /nfs/dbraw/zinc/28/51/50/306285150.db2.gz MRTYBRMTSCDZBO-HNAYVOBHSA-N 1 2 338.411 1.890 20 30 EDEDLO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ncc(C#N)cn1 ZINC000561239106 306285151 /nfs/dbraw/zinc/28/51/51/306285151.db2.gz MRTYBRMTSCDZBO-HNAYVOBHSA-N 1 2 338.411 1.890 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000133391481 138392639 /nfs/dbraw/zinc/39/26/39/138392639.db2.gz RQHBUOUQAUDULL-AWEZNQCLSA-N 1 2 344.415 1.052 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc(Br)cc1F ZINC000078639927 236971235 /nfs/dbraw/zinc/97/12/35/236971235.db2.gz IQKAARNFOTYOFF-UHFFFAOYSA-N 1 2 346.200 1.709 20 30 EDEDLO Cn1cc(C[NH+]2CCN(CC#N)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092936088 237020143 /nfs/dbraw/zinc/02/01/43/237020143.db2.gz UVPCZJVJPNCTJH-UHFFFAOYSA-N 1 2 340.387 1.636 20 30 EDEDLO N#CCOc1ccccc1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000124191793 237146478 /nfs/dbraw/zinc/14/64/78/237146478.db2.gz APRRRHULQKSDML-INIZCTEOSA-N 1 2 343.427 1.916 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000037845984 213170916 /nfs/dbraw/zinc/17/09/16/213170916.db2.gz VWOFFRNWCAFJLH-UHFFFAOYSA-N 1 2 325.181 1.979 20 30 EDEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)C1 ZINC000565399142 306382681 /nfs/dbraw/zinc/38/26/81/306382681.db2.gz WJYQTMZFKZYMKN-OAHLLOKOSA-N 1 2 327.432 1.334 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2ncc3c(c2C#N)CCC3)C1 ZINC000566135850 306399835 /nfs/dbraw/zinc/39/98/35/306399835.db2.gz JEDXEROPKAQDIU-MRXNPFEDSA-N 1 2 326.444 1.989 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)c2ncc3c(c2C#N)CCC3)C1 ZINC000566135850 306399836 /nfs/dbraw/zinc/39/98/36/306399836.db2.gz JEDXEROPKAQDIU-MRXNPFEDSA-N 1 2 326.444 1.989 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195310773 139013523 /nfs/dbraw/zinc/01/35/23/139013523.db2.gz FMNXMVSMTMJKQZ-XHSDSOJGSA-N 1 2 344.459 1.926 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195310773 139013524 /nfs/dbraw/zinc/01/35/24/139013524.db2.gz FMNXMVSMTMJKQZ-XHSDSOJGSA-N 1 2 344.459 1.926 20 30 EDEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000230343091 139024425 /nfs/dbraw/zinc/02/44/25/139024425.db2.gz PHELXZHNJSGARA-VXGBXAGGSA-N 1 2 325.459 1.867 20 30 EDEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)s1 ZINC000230343091 139024426 /nfs/dbraw/zinc/02/44/26/139024426.db2.gz PHELXZHNJSGARA-VXGBXAGGSA-N 1 2 325.459 1.867 20 30 EDEDLO CNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000247416409 139148157 /nfs/dbraw/zinc/14/81/57/139148157.db2.gz DCXJPXWRJCQUIE-DGCLKSJQSA-N 1 2 332.404 1.553 20 30 EDEDLO CNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000247416409 139148158 /nfs/dbraw/zinc/14/81/58/139148158.db2.gz DCXJPXWRJCQUIE-DGCLKSJQSA-N 1 2 332.404 1.553 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000341887273 250002733 /nfs/dbraw/zinc/00/27/33/250002733.db2.gz OVNKJPLCRDKQSQ-CABCVRRESA-N 1 2 333.432 1.904 20 30 EDEDLO CC(C)(C#N)CCCC[N@@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000346070000 250039821 /nfs/dbraw/zinc/03/98/21/250039821.db2.gz PADRJAPRBGMGBJ-CABCVRRESA-N 1 2 325.428 1.978 20 30 EDEDLO CC(C)(C#N)CCCC[N@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000346070000 250039824 /nfs/dbraw/zinc/03/98/24/250039824.db2.gz PADRJAPRBGMGBJ-CABCVRRESA-N 1 2 325.428 1.978 20 30 EDEDLO C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000347027527 250052595 /nfs/dbraw/zinc/05/25/95/250052595.db2.gz IFNMQDOTULETHT-INIZCTEOSA-N 1 2 338.411 1.529 20 30 EDEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347053922 250052957 /nfs/dbraw/zinc/05/29/57/250052957.db2.gz LIKMTZOGPJPNOG-NPMABZOXSA-N 1 2 333.457 1.979 20 30 EDEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347053922 250052959 /nfs/dbraw/zinc/05/29/59/250052959.db2.gz LIKMTZOGPJPNOG-NPMABZOXSA-N 1 2 333.457 1.979 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C#N)CCCCC1 ZINC000352169461 250074341 /nfs/dbraw/zinc/07/43/41/250074341.db2.gz XMPFTSPJOVQVRM-OAHLLOKOSA-N 1 2 345.447 1.826 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C#N)CCCCC1 ZINC000352169461 250074343 /nfs/dbraw/zinc/07/43/43/250074343.db2.gz XMPFTSPJOVQVRM-OAHLLOKOSA-N 1 2 345.447 1.826 20 30 EDEDLO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)OC)C2)cc1 ZINC000354895608 250101844 /nfs/dbraw/zinc/10/18/44/250101844.db2.gz IBSQNXYMMHOTLY-OAHLLOKOSA-N 1 2 346.427 1.866 20 30 EDEDLO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(=O)OC)C2)cc1 ZINC000354895608 250101846 /nfs/dbraw/zinc/10/18/46/250101846.db2.gz IBSQNXYMMHOTLY-OAHLLOKOSA-N 1 2 346.427 1.866 20 30 EDEDLO N#CCCCOc1cccc(C[N@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000355330440 250111659 /nfs/dbraw/zinc/11/16/59/250111659.db2.gz XJRXUDGWLBCRGJ-OAHLLOKOSA-N 1 2 328.372 1.105 20 30 EDEDLO N#CCCCOc1cccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)c1 ZINC000355330440 250111664 /nfs/dbraw/zinc/11/16/64/250111664.db2.gz XJRXUDGWLBCRGJ-OAHLLOKOSA-N 1 2 328.372 1.105 20 30 EDEDLO C=CCC[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)c1ccccc1 ZINC000372480724 250221392 /nfs/dbraw/zinc/22/13/92/250221392.db2.gz CWQJEODTUOOUNL-QGZVFWFLSA-N 1 2 329.444 1.756 20 30 EDEDLO C=CCC[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)c1ccccc1 ZINC000372480724 250221395 /nfs/dbraw/zinc/22/13/95/250221395.db2.gz CWQJEODTUOOUNL-QGZVFWFLSA-N 1 2 329.444 1.756 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC2CCCCC2)CC1 ZINC000373970266 250248757 /nfs/dbraw/zinc/24/87/57/250248757.db2.gz MQJDVICAIXODNX-UHFFFAOYSA-N 1 2 333.476 1.631 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCC2CCCCC2)CC1 ZINC000373970266 250248761 /nfs/dbraw/zinc/24/87/61/250248761.db2.gz MQJDVICAIXODNX-UHFFFAOYSA-N 1 2 333.476 1.631 20 30 EDEDLO C#CCC(CC#C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000377321337 250289064 /nfs/dbraw/zinc/28/90/64/250289064.db2.gz GDJUCQSUGATORK-QGZVFWFLSA-N 1 2 342.443 1.854 20 30 EDEDLO C#CCC(CC#C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000377321337 250289066 /nfs/dbraw/zinc/28/90/66/250289066.db2.gz GDJUCQSUGATORK-QGZVFWFLSA-N 1 2 342.443 1.854 20 30 EDEDLO C#CC[C@@H](C)NC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000376227363 250285989 /nfs/dbraw/zinc/28/59/89/250285989.db2.gz QMSBKOBYBILPCT-WBMJQRKESA-N 1 2 339.399 1.237 20 30 EDEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000416655110 251097322 /nfs/dbraw/zinc/09/73/22/251097322.db2.gz DCWWMKCPSJQZCD-LSDHHAIUSA-N 1 2 343.493 1.177 20 30 EDEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000416655110 251097327 /nfs/dbraw/zinc/09/73/27/251097327.db2.gz DCWWMKCPSJQZCD-LSDHHAIUSA-N 1 2 343.493 1.177 20 30 EDEDLO C=CCn1cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)nn1 ZINC000424294940 252191964 /nfs/dbraw/zinc/19/19/64/252191964.db2.gz LXBNAHBFIAPJEF-GFCCVEGCSA-N 1 2 335.433 1.223 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424450209 252236664 /nfs/dbraw/zinc/23/66/64/252236664.db2.gz WHCQCJADJZYREN-GFCCVEGCSA-N 1 2 336.342 1.166 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCOC2)CC1 ZINC000491066553 255117477 /nfs/dbraw/zinc/11/74/77/255117477.db2.gz DLDASHMISQSBMD-HNNXBMFYSA-N 1 2 340.431 1.065 20 30 EDEDLO C#CCN(CC#CC)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000490679984 255099197 /nfs/dbraw/zinc/09/91/97/255099197.db2.gz WORFGEWPFLUIJQ-UHFFFAOYSA-N 1 2 326.400 1.086 20 30 EDEDLO C#CC[N@@H+](CC#CC)CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000490715478 255102234 /nfs/dbraw/zinc/10/22/34/255102234.db2.gz WUUUARBQTZUWKN-UHFFFAOYSA-N 1 2 331.460 1.050 20 30 EDEDLO C#CC[N@H+](CC#CC)CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000490715478 255102236 /nfs/dbraw/zinc/10/22/36/255102236.db2.gz WUUUARBQTZUWKN-UHFFFAOYSA-N 1 2 331.460 1.050 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc3c2OC(C)(C)C3)CC1 ZINC000490741354 255104424 /nfs/dbraw/zinc/10/44/24/255104424.db2.gz QVZLNDWEYHIHAI-UHFFFAOYSA-N 1 2 327.428 1.589 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(C[C@H](O)CC)c2ccccc2)CC1 ZINC000490741788 255104990 /nfs/dbraw/zinc/10/49/90/255104990.db2.gz UKEUNZAKUYYUAZ-GOSISDBHSA-N 1 2 329.444 1.041 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCC[C@@H]2c2csc(C)n2)CC1 ZINC000491043990 255116071 /nfs/dbraw/zinc/11/60/71/255116071.db2.gz FVYZZYNTCMWMLH-MRXNPFEDSA-N 1 2 332.473 1.366 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2csc(C)n2)CC1 ZINC000491043990 255116073 /nfs/dbraw/zinc/11/60/73/255116073.db2.gz FVYZZYNTCMWMLH-MRXNPFEDSA-N 1 2 332.473 1.366 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2csc(C)n2)CC1 ZINC000491043990 255116075 /nfs/dbraw/zinc/11/60/75/255116075.db2.gz FVYZZYNTCMWMLH-MRXNPFEDSA-N 1 2 332.473 1.366 20 30 EDEDLO C=CCN1CCN(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000496489188 255398272 /nfs/dbraw/zinc/39/82/72/255398272.db2.gz WDFAKRVAQNKBSU-AWEZNQCLSA-N 1 2 338.452 1.809 20 30 EDEDLO C=CCN1CCN(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O ZINC000496489188 255398273 /nfs/dbraw/zinc/39/82/73/255398273.db2.gz WDFAKRVAQNKBSU-AWEZNQCLSA-N 1 2 338.452 1.809 20 30 EDEDLO C=C[C@@H](C)ONC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000497227696 255478621 /nfs/dbraw/zinc/47/86/21/255478621.db2.gz OVFDOVFPBLLTOD-CYBMUJFWSA-N 1 2 342.440 1.344 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1C ZINC000117370251 221059329 /nfs/dbraw/zinc/05/93/29/221059329.db2.gz FSNKOPFOKWUCKT-AWEZNQCLSA-N 1 2 337.445 1.041 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@@H]1C ZINC000117370251 221059331 /nfs/dbraw/zinc/05/93/31/221059331.db2.gz FSNKOPFOKWUCKT-AWEZNQCLSA-N 1 2 337.445 1.041 20 30 EDEDLO N#Cc1cc(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)ccc1F ZINC000264138053 139382332 /nfs/dbraw/zinc/38/23/32/139382332.db2.gz YBGCRLURJBSBPW-UHFFFAOYSA-N 1 2 334.376 1.709 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000352631046 285327817 /nfs/dbraw/zinc/32/78/17/285327817.db2.gz TWVYJLQCPILLFZ-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000352631046 285327824 /nfs/dbraw/zinc/32/78/24/285327824.db2.gz TWVYJLQCPILLFZ-NSHDSACASA-N 1 2 327.837 1.926 20 30 EDEDLO Cc1cc(NC(=O)Cn2cnc(C#N)n2)c[nH+]c1N1CCCC[C@@H]1C ZINC000331894014 141094829 /nfs/dbraw/zinc/09/48/29/141094829.db2.gz UECDDYOBNGEMHA-ZDUSSCGKSA-N 1 2 339.403 1.871 20 30 EDEDLO C[N@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000332123617 141127122 /nfs/dbraw/zinc/12/71/22/141127122.db2.gz IYMRNFVWTJRBFX-GOEBONIOSA-N 1 2 347.440 1.030 20 30 EDEDLO C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000332123617 141127123 /nfs/dbraw/zinc/12/71/23/141127123.db2.gz IYMRNFVWTJRBFX-GOEBONIOSA-N 1 2 347.440 1.030 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000339730118 142136216 /nfs/dbraw/zinc/13/62/16/142136216.db2.gz KUTMUDNZRNHFKJ-UHFFFAOYSA-N 1 2 344.459 1.752 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000339730118 142136217 /nfs/dbraw/zinc/13/62/17/142136217.db2.gz KUTMUDNZRNHFKJ-UHFFFAOYSA-N 1 2 344.459 1.752 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(OCCO)CC1 ZINC000339826910 142169446 /nfs/dbraw/zinc/16/94/46/142169446.db2.gz CTTVICJEVXMCGE-UHFFFAOYSA-N 1 2 337.807 1.623 20 30 EDEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000342348692 142712664 /nfs/dbraw/zinc/71/26/64/142712664.db2.gz SHSLZPZYIZWIGS-UHFFFAOYSA-N 1 2 344.758 1.870 20 30 EDEDLO CC(C)C(=O)NCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000347972708 143385493 /nfs/dbraw/zinc/38/54/93/143385493.db2.gz JPPDAOCVSBWPDP-UHFFFAOYSA-N 1 2 327.388 1.812 20 30 EDEDLO CC(C)C(=O)NCC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000347972708 143385494 /nfs/dbraw/zinc/38/54/94/143385494.db2.gz JPPDAOCVSBWPDP-UHFFFAOYSA-N 1 2 327.388 1.812 20 30 EDEDLO CCN1CCO[C@@H](C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1 ZINC000369697481 155138274 /nfs/dbraw/zinc/13/82/74/155138274.db2.gz QQEOBXHPMFZYFY-QGZVFWFLSA-N 1 2 332.423 1.540 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC000353180642 149315097 /nfs/dbraw/zinc/31/50/97/149315097.db2.gz KDWJDZKNUPLGGX-KRWDZBQOSA-N 1 2 329.400 1.122 20 30 EDEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000341986676 292208917 /nfs/dbraw/zinc/20/89/17/292208917.db2.gz ZYZQPRBMRVIMHK-OAHLLOKOSA-N 1 2 332.448 1.970 20 30 EDEDLO CCN1CCN(C(=O)Cc2c(F)cccc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000354984312 150064877 /nfs/dbraw/zinc/06/48/77/150064877.db2.gz HOWJSYSRPPSTJP-INIZCTEOSA-N 1 2 341.390 1.868 20 30 EDEDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355099016 150115745 /nfs/dbraw/zinc/11/57/45/150115745.db2.gz FWFYPDFWKNNZCL-LSDHHAIUSA-N 1 2 329.448 1.769 20 30 EDEDLO Cn1cc[nH+]c1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000355114360 150122758 /nfs/dbraw/zinc/12/27/58/150122758.db2.gz VGUIRLQXXGYFPP-UHFFFAOYSA-N 1 2 344.318 1.789 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)n1 ZINC000355447683 150271026 /nfs/dbraw/zinc/27/10/26/150271026.db2.gz BBTWUQNHSHAZKL-UHFFFAOYSA-N 1 2 327.413 1.436 20 30 EDEDLO COc1cc(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)ccc1C#N ZINC000357616901 151086642 /nfs/dbraw/zinc/08/66/42/151086642.db2.gz KKPGOOLBEFJWRS-UHFFFAOYSA-N 1 2 346.431 1.477 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000361436845 152394968 /nfs/dbraw/zinc/39/49/68/152394968.db2.gz CSEPZROEKBLMRL-GOSISDBHSA-N 1 2 348.447 1.408 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000361436845 152394969 /nfs/dbraw/zinc/39/49/69/152394969.db2.gz CSEPZROEKBLMRL-GOSISDBHSA-N 1 2 348.447 1.408 20 30 EDEDLO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000367833776 154290541 /nfs/dbraw/zinc/29/05/41/154290541.db2.gz SMANSFPUWIOVNZ-HNNXBMFYSA-N 1 2 346.456 1.995 20 30 EDEDLO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000367833776 154290546 /nfs/dbraw/zinc/29/05/46/154290546.db2.gz SMANSFPUWIOVNZ-HNNXBMFYSA-N 1 2 346.456 1.995 20 30 EDEDLO CS(=O)(=O)CC[C@@H]1CCCCN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000367833776 154290550 /nfs/dbraw/zinc/29/05/50/154290550.db2.gz SMANSFPUWIOVNZ-HNNXBMFYSA-N 1 2 346.456 1.995 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)NCc1cccc(C#N)c1)CCO2 ZINC000369393532 155010473 /nfs/dbraw/zinc/01/04/73/155010473.db2.gz XISCNVMXNBKQRB-KBXCAEBGSA-N 1 2 329.400 1.054 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)NCc1cccc(C#N)c1)CCO2 ZINC000369393532 155010476 /nfs/dbraw/zinc/01/04/76/155010476.db2.gz XISCNVMXNBKQRB-KBXCAEBGSA-N 1 2 329.400 1.054 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000371974054 156190644 /nfs/dbraw/zinc/19/06/44/156190644.db2.gz RUUBTIKDTCJOFN-IRXDYDNUSA-N 1 2 329.400 1.054 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000371974054 156190648 /nfs/dbraw/zinc/19/06/48/156190648.db2.gz RUUBTIKDTCJOFN-IRXDYDNUSA-N 1 2 329.400 1.054 20 30 EDEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCc3c[nH+]cn3C)C2)n1 ZINC000378142524 158090534 /nfs/dbraw/zinc/09/05/34/158090534.db2.gz YSYKMKFLVIRAST-HNNXBMFYSA-N 1 2 338.415 1.528 20 30 EDEDLO Cn1c[nH+]c2c1CCN(S(=O)(=O)c1ccc(C#N)cc1Cl)C2 ZINC000378610825 158218916 /nfs/dbraw/zinc/21/89/16/158218916.db2.gz WLXKGWBCAZNYDL-UHFFFAOYSA-N 1 2 336.804 1.692 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000365192200 162355893 /nfs/dbraw/zinc/35/58/93/162355893.db2.gz WDBVVGHPEYRERY-AWEZNQCLSA-N 1 2 336.233 1.837 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000365192200 162355899 /nfs/dbraw/zinc/35/58/99/162355899.db2.gz WDBVVGHPEYRERY-AWEZNQCLSA-N 1 2 336.233 1.837 20 30 EDEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC000124238877 222397060 /nfs/dbraw/zinc/39/70/60/222397060.db2.gz XNUWELAKDXFTFQ-LSDHHAIUSA-N 1 2 342.447 1.165 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)CCN1C ZINC000492722355 269936094 /nfs/dbraw/zinc/93/60/94/269936094.db2.gz UXKDJKMDYPOEGF-TUYSUELWSA-N 1 2 335.411 1.820 20 30 EDEDLO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000088546155 264281087 /nfs/dbraw/zinc/28/10/87/264281087.db2.gz OPVYXDWCEGAJHU-QGZVFWFLSA-N 1 2 344.371 1.666 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425232937 270012575 /nfs/dbraw/zinc/01/25/75/270012575.db2.gz WNMUSVBGGLJABS-UHFFFAOYSA-N 1 2 326.360 1.522 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329932026 266327125 /nfs/dbraw/zinc/32/71/25/266327125.db2.gz PILLHSVCQNWEBB-GOEBONIOSA-N 1 2 330.388 1.517 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329932026 266327126 /nfs/dbraw/zinc/32/71/26/266327126.db2.gz PILLHSVCQNWEBB-GOEBONIOSA-N 1 2 330.388 1.517 20 30 EDEDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(C#N)o1 ZINC000287974609 266531383 /nfs/dbraw/zinc/53/13/83/266531383.db2.gz YFKKWNDXXSTEIR-UHFFFAOYSA-N 1 2 341.433 1.130 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000280539729 267047921 /nfs/dbraw/zinc/04/79/21/267047921.db2.gz PQDROTREDMGURY-KDOFPFPSSA-N 1 2 329.400 1.054 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000280539729 267047924 /nfs/dbraw/zinc/04/79/24/267047924.db2.gz PQDROTREDMGURY-KDOFPFPSSA-N 1 2 329.400 1.054 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)S1 ZINC000286648041 267068851 /nfs/dbraw/zinc/06/88/51/267068851.db2.gz CDTOSEDKJRLZMG-SNVBAGLBSA-N 1 2 346.416 1.662 20 30 EDEDLO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000456337766 267231436 /nfs/dbraw/zinc/23/14/36/267231436.db2.gz CCKXARAADOVXGR-LBPRGKRZSA-N 1 2 334.445 1.937 20 30 EDEDLO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000456337766 267231441 /nfs/dbraw/zinc/23/14/41/267231441.db2.gz CCKXARAADOVXGR-LBPRGKRZSA-N 1 2 334.445 1.937 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)n1 ZINC000286008765 267314881 /nfs/dbraw/zinc/31/48/81/267314881.db2.gz DZFWPVJJLMVVKR-UHFFFAOYSA-N 1 2 342.447 1.181 20 30 EDEDLO Cc1cc(C#N)nc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)n1 ZINC000280958939 267314967 /nfs/dbraw/zinc/31/49/67/267314967.db2.gz KSRCULRLALSDRC-UHFFFAOYSA-N 1 2 333.399 1.627 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)n1 ZINC000280958939 267314970 /nfs/dbraw/zinc/31/49/70/267314970.db2.gz KSRCULRLALSDRC-UHFFFAOYSA-N 1 2 333.399 1.627 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1nc2c(cc1C#N)CCC2 ZINC000528135683 267331952 /nfs/dbraw/zinc/33/19/52/267331952.db2.gz YDFSSBARXHVDOR-LJQANCHMSA-N 1 2 342.443 1.470 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1nc2c(cc1C#N)CCC2 ZINC000528135683 267331953 /nfs/dbraw/zinc/33/19/53/267331953.db2.gz YDFSSBARXHVDOR-LJQANCHMSA-N 1 2 342.443 1.470 20 30 EDEDLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292128708 267345878 /nfs/dbraw/zinc/34/58/78/267345878.db2.gz IMKJNSVMZNMMIO-OCCSQVGLSA-N 1 2 341.371 1.730 20 30 EDEDLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292128708 267345883 /nfs/dbraw/zinc/34/58/83/267345883.db2.gz IMKJNSVMZNMMIO-OCCSQVGLSA-N 1 2 341.371 1.730 20 30 EDEDLO COC(=O)[C@H]1CSCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000412085124 267391088 /nfs/dbraw/zinc/39/10/88/267391088.db2.gz UCAMEKYRGMZQBV-GFCCVEGCSA-N 1 2 335.385 1.804 20 30 EDEDLO COC(=O)[C@H]1CSCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000412085124 267391089 /nfs/dbraw/zinc/39/10/89/267391089.db2.gz UCAMEKYRGMZQBV-GFCCVEGCSA-N 1 2 335.385 1.804 20 30 EDEDLO Cc1nsc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1C#N ZINC000297444224 267703990 /nfs/dbraw/zinc/70/39/90/267703990.db2.gz OLYKDGFZSJHMRT-GXFFZTMASA-N 1 2 335.433 1.508 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000298365298 268068166 /nfs/dbraw/zinc/06/81/66/268068166.db2.gz ARYQNPSUQQODJS-UHFFFAOYSA-N 1 2 334.423 1.997 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000448602409 268113678 /nfs/dbraw/zinc/11/36/78/268113678.db2.gz CMUVFUHGHOHIAK-QGZVFWFLSA-N 1 2 338.411 1.700 20 30 EDEDLO Cn1cc(C[NH+]2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)cn1 ZINC000459347757 268127319 /nfs/dbraw/zinc/12/73/19/268127319.db2.gz LTDMKBWGHNTNKU-UHFFFAOYSA-N 1 2 340.387 1.518 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3nccs3)C2)nc1 ZINC000292214490 268182171 /nfs/dbraw/zinc/18/21/71/268182171.db2.gz OOFOBZHFBPGYAB-GFCCVEGCSA-N 1 2 329.385 1.502 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3nccs3)C2)nc1 ZINC000292214490 268182175 /nfs/dbraw/zinc/18/21/75/268182175.db2.gz OOFOBZHFBPGYAB-GFCCVEGCSA-N 1 2 329.385 1.502 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)nc1 ZINC000292292610 268182784 /nfs/dbraw/zinc/18/27/84/268182784.db2.gz UIXUVUBBOXLNSA-WBVHZDCISA-N 1 2 340.358 1.772 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)nc1 ZINC000292292610 268182785 /nfs/dbraw/zinc/18/27/85/268182785.db2.gz UIXUVUBBOXLNSA-WBVHZDCISA-N 1 2 340.358 1.772 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000276945197 268188927 /nfs/dbraw/zinc/18/89/27/268188927.db2.gz NWDUWIBIIBGJTL-UHFFFAOYSA-N 1 2 343.408 1.491 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000276945197 268188929 /nfs/dbraw/zinc/18/89/29/268188929.db2.gz NWDUWIBIIBGJTL-UHFFFAOYSA-N 1 2 343.408 1.491 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000186108056 268191067 /nfs/dbraw/zinc/19/10/67/268191067.db2.gz IUVQFZADHZLZQH-UHFFFAOYSA-N 1 2 342.424 1.854 20 30 EDEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000274318750 268215782 /nfs/dbraw/zinc/21/57/82/268215782.db2.gz JTRKVGMNRKTJKM-UHFFFAOYSA-N 1 2 343.387 1.211 20 30 EDEDLO N#Cc1cccc(C(=O)N2CC[NH+](CCO)CC2)c1Br ZINC000448672223 268271368 /nfs/dbraw/zinc/27/13/68/268271368.db2.gz ASYRCFIJVYICQO-UHFFFAOYSA-N 1 2 338.205 1.071 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ccco2)CC1 ZINC000528344210 268301033 /nfs/dbraw/zinc/30/10/33/268301033.db2.gz HNDHOGXXVLUJAC-QGZVFWFLSA-N 1 2 341.411 1.709 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000528344210 268301036 /nfs/dbraw/zinc/30/10/36/268301036.db2.gz HNDHOGXXVLUJAC-QGZVFWFLSA-N 1 2 341.411 1.709 20 30 EDEDLO N#Cc1ncc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1Cl ZINC000455774686 268322326 /nfs/dbraw/zinc/32/23/26/268322326.db2.gz CZEASXAQJMDVQI-ZDUSSCGKSA-N 1 2 349.822 1.935 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)S1 ZINC000268505311 288315207 /nfs/dbraw/zinc/31/52/07/288315207.db2.gz QUPSAYQDTULFFP-SNVBAGLBSA-N 1 2 332.389 1.475 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@]2(CCOC2)O1 ZINC000373796747 300237659 /nfs/dbraw/zinc/23/76/59/300237659.db2.gz LAEBDLCVHJWICO-YJBOKZPZSA-N 1 2 335.448 1.551 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@]2(CCOC2)O1 ZINC000373796747 300237660 /nfs/dbraw/zinc/23/76/60/300237660.db2.gz LAEBDLCVHJWICO-YJBOKZPZSA-N 1 2 335.448 1.551 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425873893 447343817 /nfs/dbraw/zinc/34/38/17/447343817.db2.gz QTMQIRKQRUPAQY-KGLIPLIRSA-N 1 2 339.399 1.479 20 30 EDEDLO CCn1nnc(C)c1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000449022558 447359166 /nfs/dbraw/zinc/35/91/66/447359166.db2.gz YPNPFKJFYACQNB-UHFFFAOYSA-N 1 2 328.395 1.939 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2F)C[C@H]1C ZINC000536554757 306022366 /nfs/dbraw/zinc/02/23/66/306022366.db2.gz BZNBVDUCLGPKAN-VXGBXAGGSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2F)C[C@H]1C ZINC000536554757 306022367 /nfs/dbraw/zinc/02/23/67/306022367.db2.gz BZNBVDUCLGPKAN-VXGBXAGGSA-N 1 2 325.409 1.801 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCN(CC(=O)OC)CC2)c1C ZINC000377947627 447391450 /nfs/dbraw/zinc/39/14/50/447391450.db2.gz CSKBANCOLZRSMF-UHFFFAOYSA-N 1 2 347.459 1.654 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCN(CC(=O)OC)CC2)c1C ZINC000377947627 447391457 /nfs/dbraw/zinc/39/14/57/447391457.db2.gz CSKBANCOLZRSMF-UHFFFAOYSA-N 1 2 347.459 1.654 20 30 EDEDLO Cc1ccc(NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nc1C#N ZINC000378015545 447396731 /nfs/dbraw/zinc/39/67/31/447396731.db2.gz OLMDIUNIPLHEPJ-KBPBESRZSA-N 1 2 328.395 2.020 20 30 EDEDLO C#CCNC(=O)c1ccc(NCc2cccnc2-n2cc[nH+]c2)nc1 ZINC000378046678 447398188 /nfs/dbraw/zinc/39/81/88/447398188.db2.gz UXJHEGHAAORWJM-UHFFFAOYSA-N 1 2 332.367 1.637 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)Nc3ccccc3)CC2)cc1 ZINC000045016828 440938043 /nfs/dbraw/zinc/93/80/43/440938043.db2.gz UMILIGHYRTUVFF-UHFFFAOYSA-N 1 2 348.406 1.841 20 30 EDEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000046052362 441075980 /nfs/dbraw/zinc/07/59/80/441075980.db2.gz CAOWMRSKQHUVLU-UHFFFAOYSA-N 1 2 342.443 1.575 20 30 EDEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000046052362 441075982 /nfs/dbraw/zinc/07/59/82/441075982.db2.gz CAOWMRSKQHUVLU-UHFFFAOYSA-N 1 2 342.443 1.575 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nccc3c(OC)cccc32)CC1 ZINC000450230659 447437181 /nfs/dbraw/zinc/43/71/81/447437181.db2.gz GKXJMCYMZBJELU-UHFFFAOYSA-N 1 2 340.427 1.668 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000057665354 441125821 /nfs/dbraw/zinc/12/58/21/441125821.db2.gz FLWXJTVSYGTBSG-UHFFFAOYSA-N 1 2 337.383 1.583 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCOC3)CC2)cc1 ZINC000057151291 441093059 /nfs/dbraw/zinc/09/30/59/441093059.db2.gz NHIJYFITOBMZOQ-GOSISDBHSA-N 1 2 342.443 1.812 20 30 EDEDLO COc1ccccc1N(CCC(N)=O)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057880404 441141198 /nfs/dbraw/zinc/14/11/98/441141198.db2.gz IIILGWBRVHGZCL-UHFFFAOYSA-N 1 2 344.415 1.139 20 30 EDEDLO CCCCNC(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000060197378 441234047 /nfs/dbraw/zinc/23/40/47/441234047.db2.gz STGPCNLLRDYBFQ-UHFFFAOYSA-N 1 2 348.447 1.072 20 30 EDEDLO CCO[C@@H](C)c1noc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000081158573 441237177 /nfs/dbraw/zinc/23/71/77/441237177.db2.gz NOONIRNTAQHLJK-AWEZNQCLSA-N 1 2 337.424 1.215 20 30 EDEDLO C#CC[N@@H+](CC(=O)N(C)CC(=O)NCCC)[C@@H]1CCc2ccccc21 ZINC000072577968 441239400 /nfs/dbraw/zinc/23/94/00/441239400.db2.gz WKSLWXLWFNCRRS-GOSISDBHSA-N 1 2 341.455 1.594 20 30 EDEDLO C#CC[N@H+](CC(=O)N(C)CC(=O)NCCC)[C@@H]1CCc2ccccc21 ZINC000072577968 441239403 /nfs/dbraw/zinc/23/94/03/441239403.db2.gz WKSLWXLWFNCRRS-GOSISDBHSA-N 1 2 341.455 1.594 20 30 EDEDLO CN(C)c1nc(N)nc(CO[NH+]=C(N)Cc2ccccc2Cl)n1 ZINC000058497851 441199074 /nfs/dbraw/zinc/19/90/74/441199074.db2.gz PFWLKWVLQPZCOE-UHFFFAOYSA-N 1 2 335.799 1.205 20 30 EDEDLO CN(C)C(=O)c1cccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000060593432 441252696 /nfs/dbraw/zinc/25/26/96/441252696.db2.gz XQSBENWPVVEHHN-UHFFFAOYSA-N 1 2 349.438 1.977 20 30 EDEDLO C[C@H](Oc1ccccc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000072622543 441243009 /nfs/dbraw/zinc/24/30/09/441243009.db2.gz IFLBDGJPHRTWDF-INIZCTEOSA-N 1 2 331.416 1.528 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000024371352 441310030 /nfs/dbraw/zinc/31/00/30/441310030.db2.gz YEEOCPJQPXMTTC-GFCCVEGCSA-N 1 2 335.404 1.536 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC000024371352 441310034 /nfs/dbraw/zinc/31/00/34/441310034.db2.gz YEEOCPJQPXMTTC-GFCCVEGCSA-N 1 2 335.404 1.536 20 30 EDEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](O)C2)c1C#N ZINC000074313557 441420239 /nfs/dbraw/zinc/42/02/39/441420239.db2.gz PGNLVMZWNPRSHP-INIZCTEOSA-N 1 2 338.411 1.971 20 30 EDEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](O)C2)c1C#N ZINC000074313557 441420242 /nfs/dbraw/zinc/42/02/42/441420242.db2.gz PGNLVMZWNPRSHP-INIZCTEOSA-N 1 2 338.411 1.971 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000030155072 441485247 /nfs/dbraw/zinc/48/52/47/441485247.db2.gz RCJBTFFBWOPXLR-CYBMUJFWSA-N 1 2 337.826 1.735 20 30 EDEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450340 441460362 /nfs/dbraw/zinc/46/03/62/441460362.db2.gz DGKQCLOOXXUJIX-GJZGRUSLSA-N 1 2 329.448 1.769 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000088592383 441513917 /nfs/dbraw/zinc/51/39/17/441513917.db2.gz PHZAMLVIAUMYNI-HNNXBMFYSA-N 1 2 344.434 1.826 20 30 EDEDLO COc1ccccc1[C@H](NS(=O)(=O)CCCC#N)c1[nH+]ccn1C ZINC000111326270 441533852 /nfs/dbraw/zinc/53/38/52/441533852.db2.gz VSBWXUSJUXEOJN-HNNXBMFYSA-N 1 2 348.428 1.741 20 30 EDEDLO C#CCN(Cc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000066539067 441542603 /nfs/dbraw/zinc/54/26/03/441542603.db2.gz HJJPAQUURQRENO-AWEZNQCLSA-N 1 2 337.832 1.610 20 30 EDEDLO C=CC[N@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccc(OC)cc1 ZINC000054272460 441569153 /nfs/dbraw/zinc/56/91/53/441569153.db2.gz ZDZYHPQSJDROGH-UHFFFAOYSA-N 1 2 345.443 1.422 20 30 EDEDLO C=CC[N@@H+](CC(=O)NCC(=O)N1CCCC1)Cc1ccc(OC)cc1 ZINC000054272460 441569157 /nfs/dbraw/zinc/56/91/57/441569157.db2.gz ZDZYHPQSJDROGH-UHFFFAOYSA-N 1 2 345.443 1.422 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000075915650 441566348 /nfs/dbraw/zinc/56/63/48/441566348.db2.gz ABHVLCNHRTVCLM-AWEZNQCLSA-N 1 2 349.862 1.717 20 30 EDEDLO Cc1cccc([C@@H](CNC(=O)CSCC#N)[NH+]2CCOCC2)c1 ZINC000041970158 441690626 /nfs/dbraw/zinc/69/06/26/441690626.db2.gz MJBYCSBJTTUEMZ-MRXNPFEDSA-N 1 2 333.457 1.741 20 30 EDEDLO N#C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CCN1Cc1ccccc1 ZINC000114581530 441667737 /nfs/dbraw/zinc/66/77/37/441667737.db2.gz PNBZDTJEKACDKI-QGZVFWFLSA-N 1 2 338.415 1.303 20 30 EDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000121563262 441732757 /nfs/dbraw/zinc/73/27/57/441732757.db2.gz AZBJVZDPRAJOBF-UHFFFAOYSA-N 1 2 325.434 1.302 20 30 EDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000121563262 441732762 /nfs/dbraw/zinc/73/27/62/441732762.db2.gz AZBJVZDPRAJOBF-UHFFFAOYSA-N 1 2 325.434 1.302 20 30 EDEDLO COC[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000137191074 441755228 /nfs/dbraw/zinc/75/52/28/441755228.db2.gz RORJSEJMSHEHND-KSSFIOAISA-N 1 2 348.422 1.381 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000042641766 441762800 /nfs/dbraw/zinc/76/28/00/441762800.db2.gz CYXMDTHNMXOKTK-HNNXBMFYSA-N 1 2 349.862 1.474 20 30 EDEDLO COc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(OC)c1 ZINC000115597689 441763003 /nfs/dbraw/zinc/76/30/03/441763003.db2.gz ZIQOUZZTPGHRGP-QGZVFWFLSA-N 1 2 325.368 1.892 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)C(N)=O)cc1 ZINC000115596397 441764016 /nfs/dbraw/zinc/76/40/16/441764016.db2.gz POPOTTIYCHPSHU-GOSISDBHSA-N 1 2 335.411 1.870 20 30 EDEDLO N#CCCn1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000173349257 441720233 /nfs/dbraw/zinc/72/02/33/441720233.db2.gz MPNHGANLQLDOMQ-UHFFFAOYSA-N 1 2 339.403 1.982 20 30 EDEDLO CC[C@H](C)NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042354487 441727476 /nfs/dbraw/zinc/72/74/76/441727476.db2.gz CRMXFSPJLGKFGU-HOTGVXAUSA-N 1 2 328.460 1.979 20 30 EDEDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000042354487 441727482 /nfs/dbraw/zinc/72/74/82/441727482.db2.gz CRMXFSPJLGKFGU-HOTGVXAUSA-N 1 2 328.460 1.979 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000043566500 441847968 /nfs/dbraw/zinc/84/79/68/441847968.db2.gz ARSBUQYYVREDQN-GFCCVEGCSA-N 1 2 347.415 1.462 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000043566500 441847971 /nfs/dbraw/zinc/84/79/71/441847971.db2.gz ARSBUQYYVREDQN-GFCCVEGCSA-N 1 2 347.415 1.462 20 30 EDEDLO N#Cc1cc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)ccc1F ZINC000160739023 441915333 /nfs/dbraw/zinc/91/53/33/441915333.db2.gz LCFJXWHBRPJVDZ-UHFFFAOYSA-N 1 2 344.434 1.827 20 30 EDEDLO N#Cc1cc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)ccc1F ZINC000160739023 441915335 /nfs/dbraw/zinc/91/53/35/441915335.db2.gz LCFJXWHBRPJVDZ-UHFFFAOYSA-N 1 2 344.434 1.827 20 30 EDEDLO CCCC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000160767384 441919563 /nfs/dbraw/zinc/91/95/63/441919563.db2.gz DOJIIFASZLWLFX-HNNXBMFYSA-N 1 2 346.456 1.995 20 30 EDEDLO CCCC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000160767384 441919565 /nfs/dbraw/zinc/91/95/65/441919565.db2.gz DOJIIFASZLWLFX-HNNXBMFYSA-N 1 2 346.456 1.995 20 30 EDEDLO COC(=O)C[N@H+](Cc1cnc2ccc(C#N)cn12)C1CCOCC1 ZINC000093763615 441894564 /nfs/dbraw/zinc/89/45/64/441894564.db2.gz JNBLWAGSUIHUCO-UHFFFAOYSA-N 1 2 328.372 1.360 20 30 EDEDLO COC(=O)C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CCOCC1 ZINC000093763615 441894570 /nfs/dbraw/zinc/89/45/70/441894570.db2.gz JNBLWAGSUIHUCO-UHFFFAOYSA-N 1 2 328.372 1.360 20 30 EDEDLO COC(=O)CN(Cc1c[nH+]c2ccc(C#N)cn12)C1CCOCC1 ZINC000093763615 441894579 /nfs/dbraw/zinc/89/45/79/441894579.db2.gz JNBLWAGSUIHUCO-UHFFFAOYSA-N 1 2 328.372 1.360 20 30 EDEDLO COCCc1noc(C[N@H+](C)CCOc2ccc(C#N)cc2OC)n1 ZINC000151013830 441991710 /nfs/dbraw/zinc/99/17/10/441991710.db2.gz HEKWAMNPSGJCTO-UHFFFAOYSA-N 1 2 346.387 1.650 20 30 EDEDLO COCCc1noc(C[N@@H+](C)CCOc2ccc(C#N)cc2OC)n1 ZINC000151013830 441991714 /nfs/dbraw/zinc/99/17/14/441991714.db2.gz HEKWAMNPSGJCTO-UHFFFAOYSA-N 1 2 346.387 1.650 20 30 EDEDLO C#CCOCCC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000161405720 441997104 /nfs/dbraw/zinc/99/71/04/441997104.db2.gz FBABCQBWIUXIBI-KRWDZBQOSA-N 1 2 327.384 1.674 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175410273 442057636 /nfs/dbraw/zinc/05/76/36/442057636.db2.gz CYHOMIFGEWHGST-DAOPMYJZSA-N 1 2 337.445 1.429 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175410273 442057641 /nfs/dbraw/zinc/05/76/41/442057641.db2.gz CYHOMIFGEWHGST-DAOPMYJZSA-N 1 2 337.445 1.429 20 30 EDEDLO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000151469076 442066784 /nfs/dbraw/zinc/06/67/84/442066784.db2.gz XEZUTQCBDICHLA-CZUORRHYSA-N 1 2 337.383 1.803 20 30 EDEDLO CC(C)[NH+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000120665186 442113691 /nfs/dbraw/zinc/11/36/91/442113691.db2.gz OGMCSNQOJHECOJ-UHFFFAOYSA-N 1 2 325.409 1.553 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)c(C#N)c1C ZINC000120873748 442145309 /nfs/dbraw/zinc/14/53/09/442145309.db2.gz HAYWKVSRPSNHKS-GFCCVEGCSA-N 1 2 346.431 1.895 20 30 EDEDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(C#N)cc3)[nH+]c2c1 ZINC000079911666 442096678 /nfs/dbraw/zinc/09/66/78/442096678.db2.gz XUPZFPZSBQTSFG-UHFFFAOYSA-N 1 2 326.381 1.993 20 30 EDEDLO CS(=O)(=O)CCCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000163502103 442170402 /nfs/dbraw/zinc/17/04/02/442170402.db2.gz JDDFPENJNUMWHF-KRWDZBQOSA-N 1 2 335.473 1.694 20 30 EDEDLO C=CCCC[N@@H+](C)CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000121167890 442186415 /nfs/dbraw/zinc/18/64/15/442186415.db2.gz ARNCJBGULNNDSD-OAHLLOKOSA-N 1 2 330.494 1.556 20 30 EDEDLO C=CCCC[N@H+](C)CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000121167890 442186418 /nfs/dbraw/zinc/18/64/18/442186418.db2.gz ARNCJBGULNNDSD-OAHLLOKOSA-N 1 2 330.494 1.556 20 30 EDEDLO CN(Cc1ccccc1Br)C(=O)CO[NH+]=C(N)CCO ZINC000121309548 442201553 /nfs/dbraw/zinc/20/15/53/442201553.db2.gz SXCMFAULPVFMHF-UHFFFAOYSA-N 1 2 344.209 1.079 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1F ZINC000177428662 442340725 /nfs/dbraw/zinc/34/07/25/442340725.db2.gz CVMDOEVEXQYPDL-UHFFFAOYSA-N 1 2 341.346 1.696 20 30 EDEDLO N#Cc1ccc(C(=O)NCC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000171108534 442314265 /nfs/dbraw/zinc/31/42/65/442314265.db2.gz FLYNKRNOJQNMEC-UHFFFAOYSA-N 1 2 347.378 1.295 20 30 EDEDLO C=CCOCCCC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000154795014 442357338 /nfs/dbraw/zinc/35/73/38/442357338.db2.gz HYMHRDWUKCJCRK-MRXNPFEDSA-N 1 2 337.464 1.124 20 30 EDEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000171609409 442362430 /nfs/dbraw/zinc/36/24/30/442362430.db2.gz PPWAHSVKHROEFC-HNNXBMFYSA-N 1 2 330.432 1.221 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000186598708 442570387 /nfs/dbraw/zinc/57/03/87/442570387.db2.gz FTZJELJWBDPZKP-UHFFFAOYSA-N 1 2 327.428 1.817 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000186598708 442570393 /nfs/dbraw/zinc/57/03/93/442570393.db2.gz FTZJELJWBDPZKP-UHFFFAOYSA-N 1 2 327.428 1.817 20 30 EDEDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000157441395 442584653 /nfs/dbraw/zinc/58/46/53/442584653.db2.gz VLLBMOFZOMWPKH-UHFFFAOYSA-N 1 2 336.823 1.854 20 30 EDEDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000157441395 442584659 /nfs/dbraw/zinc/58/46/59/442584659.db2.gz VLLBMOFZOMWPKH-UHFFFAOYSA-N 1 2 336.823 1.854 20 30 EDEDLO C[C@@H](NC(=O)CNC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000173267558 442635607 /nfs/dbraw/zinc/63/56/07/442635607.db2.gz XEYQNVJTVNGNJI-CYBMUJFWSA-N 1 2 346.406 1.355 20 30 EDEDLO N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000135929142 442641866 /nfs/dbraw/zinc/64/18/66/442641866.db2.gz GSYUEAHQXLZHCF-CQSZACIVSA-N 1 2 336.399 1.061 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccn(-c2ccccc2F)n1 ZINC000187143405 442655466 /nfs/dbraw/zinc/65/54/66/442655466.db2.gz SMBSTAHGZBJMKL-UHFFFAOYSA-N 1 2 333.367 1.132 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@@H]1O ZINC000186922969 442631090 /nfs/dbraw/zinc/63/10/90/442631090.db2.gz XQNLLWATYGILBI-BBRMVZONSA-N 1 2 339.399 1.385 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@@H]1O ZINC000186922969 442631094 /nfs/dbraw/zinc/63/10/94/442631094.db2.gz XQNLLWATYGILBI-BBRMVZONSA-N 1 2 339.399 1.385 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000192824029 442689991 /nfs/dbraw/zinc/68/99/91/442689991.db2.gz RJFGKIUZJHVUAE-INIZCTEOSA-N 1 2 342.443 1.429 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000181752903 442714278 /nfs/dbraw/zinc/71/42/78/442714278.db2.gz CDZFBCLMSYFQID-CYBMUJFWSA-N 1 2 342.399 1.223 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CCC=CO3)CC2)cc1 ZINC000193638343 442762576 /nfs/dbraw/zinc/76/25/76/442762576.db2.gz DUDCJDMNVSQHSW-INIZCTEOSA-N 1 2 347.440 1.557 20 30 EDEDLO COCCOC[C@H]1CC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246285973 442769656 /nfs/dbraw/zinc/76/96/56/442769656.db2.gz AQSYJXLJJMXNGD-DOTOQJQBSA-N 1 2 332.400 1.757 20 30 EDEDLO COCCOC[C@H]1CC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246285973 442769658 /nfs/dbraw/zinc/76/96/58/442769658.db2.gz AQSYJXLJJMXNGD-DOTOQJQBSA-N 1 2 332.400 1.757 20 30 EDEDLO Cc1cccc([C@@H](CNC(=O)NC[C@@H](C)C#N)[NH+]2CCOCC2)c1 ZINC000182522251 442780298 /nfs/dbraw/zinc/78/02/98/442780298.db2.gz WXUQBRGFDXGQFY-DOTOQJQBSA-N 1 2 330.432 1.827 20 30 EDEDLO CC(=O)CSCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000193962081 442819693 /nfs/dbraw/zinc/81/96/93/442819693.db2.gz OGOHTMIPGOQXHL-UHFFFAOYSA-N 1 2 345.468 1.915 20 30 EDEDLO CC(=O)CSCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000193962081 442819696 /nfs/dbraw/zinc/81/96/96/442819696.db2.gz OGOHTMIPGOQXHL-UHFFFAOYSA-N 1 2 345.468 1.915 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000265671954 442874022 /nfs/dbraw/zinc/87/40/22/442874022.db2.gz XTVWBHRYFKUYJL-HZMBPMFUSA-N 1 2 334.807 1.701 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000265671954 442874026 /nfs/dbraw/zinc/87/40/26/442874026.db2.gz XTVWBHRYFKUYJL-HZMBPMFUSA-N 1 2 334.807 1.701 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000183292351 442917894 /nfs/dbraw/zinc/91/78/94/442917894.db2.gz WTQASFVNNKVIER-LLVKDONJSA-N 1 2 325.359 1.916 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000183292351 442917898 /nfs/dbraw/zinc/91/78/98/442917898.db2.gz WTQASFVNNKVIER-LLVKDONJSA-N 1 2 325.359 1.916 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000183519850 442937164 /nfs/dbraw/zinc/93/71/64/442937164.db2.gz GQWWVSCVDZDDPG-UHFFFAOYSA-N 1 2 339.848 1.928 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000183570055 442942195 /nfs/dbraw/zinc/94/21/95/442942195.db2.gz BWXYRNOIAUFPIM-UHFFFAOYSA-N 1 2 325.821 1.680 20 30 EDEDLO COCCO[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000189732964 442999277 /nfs/dbraw/zinc/99/92/77/442999277.db2.gz GEJPIKBEVDSOOG-HNNXBMFYSA-N 1 2 338.429 1.069 20 30 EDEDLO COCCO[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000189732964 442999280 /nfs/dbraw/zinc/99/92/80/442999280.db2.gz GEJPIKBEVDSOOG-HNNXBMFYSA-N 1 2 338.429 1.069 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000249889681 443007953 /nfs/dbraw/zinc/00/79/53/443007953.db2.gz SAHUACUGDMQETM-DZKIICNBSA-N 1 2 331.416 1.849 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000249889681 443007955 /nfs/dbraw/zinc/00/79/55/443007955.db2.gz SAHUACUGDMQETM-DZKIICNBSA-N 1 2 331.416 1.849 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000266155376 443037136 /nfs/dbraw/zinc/03/71/36/443037136.db2.gz HTTGHJCZHJAVFJ-RLFYNMQTSA-N 1 2 343.427 1.505 20 30 EDEDLO C=C1CC[NH+](CC(=O)Nc2cc(-n3nnnc3C)ccc2F)CC1 ZINC000268601138 443047891 /nfs/dbraw/zinc/04/78/91/443047891.db2.gz XMZXMZYZDSTYKE-UHFFFAOYSA-N 1 2 330.367 1.700 20 30 EDEDLO N#CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000190762087 443178759 /nfs/dbraw/zinc/17/87/59/443178759.db2.gz XMYSSNWYOIFZPF-MRXNPFEDSA-N 1 2 337.383 1.579 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000266603636 443183275 /nfs/dbraw/zinc/18/32/75/443183275.db2.gz FNTMAUCBSBVWPE-ZDUSSCGKSA-N 1 2 328.416 1.657 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCCN(C)C(=O)C1 ZINC000191088974 443239507 /nfs/dbraw/zinc/23/95/07/443239507.db2.gz CNXONTBITRFEQS-CSLYMUCUSA-N 1 2 334.464 1.470 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCCN(C)C(=O)C1 ZINC000191088974 443239510 /nfs/dbraw/zinc/23/95/10/443239510.db2.gz CNXONTBITRFEQS-CSLYMUCUSA-N 1 2 334.464 1.470 20 30 EDEDLO Cc1cccn2cc(Cc3noc([C@H](C)n4cnc(C#N)n4)n3)[nH+]c12 ZINC000350029279 319039685 /nfs/dbraw/zinc/03/96/85/319039685.db2.gz BLDUGUJMORPCRU-NSHDSACASA-N 1 2 334.343 1.689 20 30 EDEDLO Cn1cc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1C#N ZINC000191283312 443272031 /nfs/dbraw/zinc/27/20/31/443272031.db2.gz UCDJOFBNMUPXBR-UHFFFAOYSA-N 1 2 334.374 1.806 20 30 EDEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000282385510 443323235 /nfs/dbraw/zinc/32/32/35/443323235.db2.gz REJKIOSKTOJNAA-AWEZNQCLSA-N 1 2 341.481 1.494 20 30 EDEDLO CN(C)C(=O)c1cccc(NC(=O)C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272602199 443378592 /nfs/dbraw/zinc/37/85/92/443378592.db2.gz RCGPGEKIJBSQDD-UHFFFAOYSA-N 1 2 328.416 1.953 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000269592705 443358321 /nfs/dbraw/zinc/35/83/21/443358321.db2.gz IUQHFNGSRJPIQJ-IUODEOHRSA-N 1 2 347.440 1.866 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000269592705 443358324 /nfs/dbraw/zinc/35/83/24/443358324.db2.gz IUQHFNGSRJPIQJ-IUODEOHRSA-N 1 2 347.440 1.866 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2noc(CC)n2)CC1 ZINC000267434216 443456202 /nfs/dbraw/zinc/45/62/02/443456202.db2.gz ZNKFDZBOKLYGON-HNNXBMFYSA-N 1 2 349.479 1.563 20 30 EDEDLO CCOCCCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccc(OC)cc1 ZINC000267435366 443457068 /nfs/dbraw/zinc/45/70/68/443457068.db2.gz OPEGWJRKKWZJEF-CYBMUJFWSA-N 1 2 337.420 1.458 20 30 EDEDLO CC(C)Cn1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000267472549 443469807 /nfs/dbraw/zinc/46/98/07/443469807.db2.gz PMWIDIOBNBBFIV-UHFFFAOYSA-N 1 2 348.451 1.619 20 30 EDEDLO O=C(NCC[NH2+][C@@H](Cc1ccccc1)C(F)F)C1N=CC=CC1=O ZINC000271447052 443503995 /nfs/dbraw/zinc/50/39/95/443503995.db2.gz HRGFGLJPQVIKOZ-PERWBAPNSA-N 1 2 335.354 1.979 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000273384892 443570046 /nfs/dbraw/zinc/57/00/46/443570046.db2.gz GQJNZORDJZCALS-DLBZAZTESA-N 1 2 333.432 1.124 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000273384892 443570052 /nfs/dbraw/zinc/57/00/52/443570052.db2.gz GQJNZORDJZCALS-DLBZAZTESA-N 1 2 333.432 1.124 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000273923100 443588041 /nfs/dbraw/zinc/58/80/41/443588041.db2.gz GHKQXTNKMJJMNC-INIZCTEOSA-N 1 2 349.479 1.440 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)NCc2ccc(N(C)C)[nH+]c2)n1 ZINC000279294838 443552077 /nfs/dbraw/zinc/55/20/77/443552077.db2.gz VIVIJFWKIFKRJE-UHFFFAOYSA-N 1 2 340.431 1.709 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)CN2CCOCC2)c(C#N)c1C ZINC000279743043 443626375 /nfs/dbraw/zinc/62/63/75/443626375.db2.gz PBXYZOXYWQKGHZ-LBPRGKRZSA-N 1 2 334.420 1.359 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)CN2CCOCC2)c(C#N)c1C ZINC000279743043 443626378 /nfs/dbraw/zinc/62/63/78/443626378.db2.gz PBXYZOXYWQKGHZ-LBPRGKRZSA-N 1 2 334.420 1.359 20 30 EDEDLO Cc1oc(NC(=O)CN(C)[C@@H](C)C[NH+]2CCOCC2)c(C#N)c1C ZINC000279743043 443626379 /nfs/dbraw/zinc/62/63/79/443626379.db2.gz PBXYZOXYWQKGHZ-LBPRGKRZSA-N 1 2 334.420 1.359 20 30 EDEDLO C#CC[N@@H+](Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1)C1CC1 ZINC000275484154 443628695 /nfs/dbraw/zinc/62/86/95/443628695.db2.gz QWXPBNIGRVUGCR-UHFFFAOYSA-N 1 2 328.372 1.888 20 30 EDEDLO C#CC[N@H+](Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1)C1CC1 ZINC000275484154 443628699 /nfs/dbraw/zinc/62/86/99/443628699.db2.gz QWXPBNIGRVUGCR-UHFFFAOYSA-N 1 2 328.372 1.888 20 30 EDEDLO NC(CCO)=[NH+]O[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000275580237 443632645 /nfs/dbraw/zinc/63/26/45/443632645.db2.gz ZDSPLISVCSWIAA-GFCCVEGCSA-N 1 2 343.330 1.455 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2C(=O)OC)c(OC)c1 ZINC000265283641 443594292 /nfs/dbraw/zinc/59/42/92/443594292.db2.gz ZTLADMKAKBOGRR-JKSUJKDBSA-N 1 2 349.427 1.801 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2C(=O)OC)c(OC)c1 ZINC000265283641 443594297 /nfs/dbraw/zinc/59/42/97/443594297.db2.gz ZTLADMKAKBOGRR-JKSUJKDBSA-N 1 2 349.427 1.801 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C(=O)OC)c(OC)c1 ZINC000265283638 443594572 /nfs/dbraw/zinc/59/45/72/443594572.db2.gz ZTLADMKAKBOGRR-HZPDHXFCSA-N 1 2 349.427 1.801 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C(=O)OC)c(OC)c1 ZINC000265283638 443594576 /nfs/dbraw/zinc/59/45/76/443594576.db2.gz ZTLADMKAKBOGRR-HZPDHXFCSA-N 1 2 349.427 1.801 20 30 EDEDLO COc1cc(CO[NH+]=C(N)C(C)(C)NC(C)=O)c([N+](=O)[O-])cc1F ZINC000274203809 443597946 /nfs/dbraw/zinc/59/79/46/443597946.db2.gz IYIRHFNQAHHTKC-UHFFFAOYSA-N 1 2 342.327 1.446 20 30 EDEDLO C=CCN(Cc1ccccc1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274215469 443598383 /nfs/dbraw/zinc/59/83/83/443598383.db2.gz QDIKHWYECPUDLT-UHFFFAOYSA-N 1 2 338.473 1.727 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NCCCCC#N ZINC000279587027 443610202 /nfs/dbraw/zinc/61/02/02/443610202.db2.gz QYWFELJQUIWGAT-KBPBESRZSA-N 1 2 336.415 1.326 20 30 EDEDLO CCN(CCC#N)C(=O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272399457 443613866 /nfs/dbraw/zinc/61/38/66/443613866.db2.gz AKJGDNNRQLDOCK-UHFFFAOYSA-N 1 2 337.427 1.993 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CC(=O)Nc1sccc1C#N ZINC000286197081 443666476 /nfs/dbraw/zinc/66/64/76/443666476.db2.gz XUVBHLDLOKNRJE-JSGCOSHPSA-N 1 2 334.445 1.353 20 30 EDEDLO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000286197081 443666477 /nfs/dbraw/zinc/66/64/77/443666477.db2.gz XUVBHLDLOKNRJE-JSGCOSHPSA-N 1 2 334.445 1.353 20 30 EDEDLO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000286197081 443666478 /nfs/dbraw/zinc/66/64/78/443666478.db2.gz XUVBHLDLOKNRJE-JSGCOSHPSA-N 1 2 334.445 1.353 20 30 EDEDLO Cc1nc(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)ccc1C#N ZINC000276324591 443687431 /nfs/dbraw/zinc/68/74/31/443687431.db2.gz PLTCALSJJYYXGO-CJNGLKHVSA-N 1 2 325.372 1.645 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCc2ccc(C#N)cc2)C1 ZINC000276371936 443691842 /nfs/dbraw/zinc/69/18/42/443691842.db2.gz IUFVWIMKEGTFAR-SFHVURJKSA-N 1 2 342.443 1.810 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCc2ccc(C#N)cc2)C1 ZINC000276371936 443691845 /nfs/dbraw/zinc/69/18/45/443691845.db2.gz IUFVWIMKEGTFAR-SFHVURJKSA-N 1 2 342.443 1.810 20 30 EDEDLO C=C[C@H](CO)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000290968913 443723060 /nfs/dbraw/zinc/72/30/60/443723060.db2.gz IJJKYJMWPYLGAH-MGPQQGTHSA-N 1 2 339.461 1.356 20 30 EDEDLO C=C[C@H](CO)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000290968913 443723064 /nfs/dbraw/zinc/72/30/64/443723064.db2.gz IJJKYJMWPYLGAH-MGPQQGTHSA-N 1 2 339.461 1.356 20 30 EDEDLO CC1(C)C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000280588878 443737275 /nfs/dbraw/zinc/73/72/75/443737275.db2.gz UDRSOBKJLRNGIV-GOSISDBHSA-N 1 2 329.400 1.767 20 30 EDEDLO CC1(C)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000280588878 443737277 /nfs/dbraw/zinc/73/72/77/443737277.db2.gz UDRSOBKJLRNGIV-GOSISDBHSA-N 1 2 329.400 1.767 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C(=O)OC)C2CC2)c(OC)c1 ZINC000284849549 443789922 /nfs/dbraw/zinc/78/99/22/443789922.db2.gz COUOFHDKSARDFF-CRAIPNDOSA-N 1 2 349.427 1.705 20 30 EDEDLO C#CCN(C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000291252194 443753920 /nfs/dbraw/zinc/75/39/20/443753920.db2.gz MAVHNLRKBOUHBV-UHFFFAOYSA-N 1 2 331.416 1.172 20 30 EDEDLO Cc1nsc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1C#N ZINC000287939824 443761029 /nfs/dbraw/zinc/76/10/29/443761029.db2.gz RLOBFAWRNQHSLW-CYBMUJFWSA-N 1 2 333.461 1.456 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000288189167 443799147 /nfs/dbraw/zinc/79/91/47/443799147.db2.gz SQVUJUQXCGLPIF-OAHLLOKOSA-N 1 2 325.416 1.266 20 30 EDEDLO C#CCC(CC#C)C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000288189167 443799151 /nfs/dbraw/zinc/79/91/51/443799151.db2.gz SQVUJUQXCGLPIF-OAHLLOKOSA-N 1 2 325.416 1.266 20 30 EDEDLO COc1cc(OC)c2ncc(C#N)c(NCC[NH+]3CCOCC3)c2c1 ZINC000280922635 443774836 /nfs/dbraw/zinc/77/48/36/443774836.db2.gz GHJQSXORWWAIAI-UHFFFAOYSA-N 1 2 342.399 1.868 20 30 EDEDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)O[NH+]=C(N)[C@@H]1CCCO1 ZINC000284434660 443775169 /nfs/dbraw/zinc/77/51/69/443775169.db2.gz OZKJUMIQIIKKRM-HUBLWGQQSA-N 1 2 335.404 1.729 20 30 EDEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000284544015 443779077 /nfs/dbraw/zinc/77/90/77/443779077.db2.gz VQNZZIHUYHSBPW-NJZAAPMLSA-N 1 2 333.388 1.483 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc(C#N)cs1 ZINC000285057307 443839203 /nfs/dbraw/zinc/83/92/03/443839203.db2.gz CPBRVNUOVITZKY-QMTHXVAHSA-N 1 2 329.385 1.103 20 30 EDEDLO CCn1nc(C)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000292582453 443802027 /nfs/dbraw/zinc/80/20/27/443802027.db2.gz GCXCJCFKFPMENO-UHFFFAOYSA-N 1 2 338.415 1.436 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2cccc(OC)c2)C1=O ZINC000281345668 443885686 /nfs/dbraw/zinc/88/56/86/443885686.db2.gz MSVHDMBQKCSUAK-QGZVFWFLSA-N 1 2 345.443 1.372 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2cccc(OC)c2)C1=O ZINC000281345668 443885687 /nfs/dbraw/zinc/88/56/87/443885687.db2.gz MSVHDMBQKCSUAK-QGZVFWFLSA-N 1 2 345.443 1.372 20 30 EDEDLO C=CC[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000292856271 443861524 /nfs/dbraw/zinc/86/15/24/443861524.db2.gz QZTXXOQMEHFXJQ-HOTGVXAUSA-N 1 2 327.421 1.404 20 30 EDEDLO C=CC[N@H+](C[C@@H](O)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000292856271 443861527 /nfs/dbraw/zinc/86/15/27/443861527.db2.gz QZTXXOQMEHFXJQ-HOTGVXAUSA-N 1 2 327.421 1.404 20 30 EDEDLO C#CCC(CC#C)C(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000277551733 444005655 /nfs/dbraw/zinc/00/56/55/444005655.db2.gz WHKNFRFDABAHAK-QGZVFWFLSA-N 1 2 343.471 1.194 20 30 EDEDLO N#Cc1ncn(CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000548812297 320897849 /nfs/dbraw/zinc/89/78/49/320897849.db2.gz QGXDEVYSDJLHRE-CYBMUJFWSA-N 1 2 339.403 1.089 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)nc1 ZINC000552898244 320932651 /nfs/dbraw/zinc/93/26/51/320932651.db2.gz JBFSTXMQHZADNT-HOCLYGCPSA-N 1 2 337.383 1.392 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3ccc(OC)c(F)c3)CC2)C1=O ZINC000281891050 444032886 /nfs/dbraw/zinc/03/28/86/444032886.db2.gz DULUHIZVTJNGDW-KRWDZBQOSA-N 1 2 347.434 1.739 20 30 EDEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000285663695 444064355 /nfs/dbraw/zinc/06/43/55/444064355.db2.gz PXVQZJWVZYHGPK-AWEZNQCLSA-N 1 2 325.409 1.553 20 30 EDEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000285663695 444064357 /nfs/dbraw/zinc/06/43/57/444064357.db2.gz PXVQZJWVZYHGPK-AWEZNQCLSA-N 1 2 325.409 1.553 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](CCO)Cc2ccc(OC)cc2OC)C1=O ZINC000282120826 444091591 /nfs/dbraw/zinc/09/15/91/444091591.db2.gz XTQYIDWEHKXBKR-MRXNPFEDSA-N 1 2 334.416 1.285 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](CCO)Cc2ccc(OC)cc2OC)C1=O ZINC000282120826 444091594 /nfs/dbraw/zinc/09/15/94/444091594.db2.gz XTQYIDWEHKXBKR-MRXNPFEDSA-N 1 2 334.416 1.285 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](c3nnc[nH]3)C2)C1=O ZINC000564881068 321153738 /nfs/dbraw/zinc/15/37/38/321153738.db2.gz LSFPHMSAKGEYIF-NEPJUHHUSA-N 1 2 328.401 1.333 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](c3nnc[nH]3)C2)C1=O ZINC000564881068 321153740 /nfs/dbraw/zinc/15/37/40/321153740.db2.gz LSFPHMSAKGEYIF-NEPJUHHUSA-N 1 2 328.401 1.333 20 30 EDEDLO C#CCO[C@@H](C)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000294628772 444130767 /nfs/dbraw/zinc/13/07/67/444130767.db2.gz WYJJPOQHYKTNMH-FUHWJXTLSA-N 1 2 330.428 1.523 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnn(CC(F)F)c1 ZINC000295029534 444164253 /nfs/dbraw/zinc/16/42/53/444164253.db2.gz XKBOIRZEDDCNGX-UHFFFAOYSA-N 1 2 327.379 1.196 20 30 EDEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H]1CCCC[C@@H]1O ZINC000289820174 444207594 /nfs/dbraw/zinc/20/75/94/444207594.db2.gz JIBDXGYVOJIYMY-GJZGRUSLSA-N 1 2 337.445 1.210 20 30 EDEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H]1CCCC[C@@H]1O ZINC000289820174 444207597 /nfs/dbraw/zinc/20/75/97/444207597.db2.gz JIBDXGYVOJIYMY-GJZGRUSLSA-N 1 2 337.445 1.210 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(c2nc3ccccn3c2C#N)CC1 ZINC000302211179 444209175 /nfs/dbraw/zinc/20/91/75/444209175.db2.gz YOEVYQMWNOKJBE-UHFFFAOYSA-N 1 2 327.388 1.281 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(c2nc3ccccn3c2C#N)CC1 ZINC000302211179 444209177 /nfs/dbraw/zinc/20/91/77/444209177.db2.gz YOEVYQMWNOKJBE-UHFFFAOYSA-N 1 2 327.388 1.281 20 30 EDEDLO C=CCN(CC=C)[C@H](C[NH2+]Cc1cn(CC(=O)OC)nn1)C(C)C ZINC000296284491 444217257 /nfs/dbraw/zinc/21/72/57/444217257.db2.gz FJCGJWOZFOGTOG-MRXNPFEDSA-N 1 2 335.452 1.239 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000289585476 444176748 /nfs/dbraw/zinc/17/67/48/444176748.db2.gz BRUGWGKJEBSUSW-IBGZPJMESA-N 1 2 348.443 1.341 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000295315387 444177712 /nfs/dbraw/zinc/17/77/12/444177712.db2.gz OMTLUKGYWVZADH-CABCVRRESA-N 1 2 336.457 1.584 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000305109402 444258603 /nfs/dbraw/zinc/25/86/03/444258603.db2.gz CKERMQDEUCGBAP-UONOGXRCSA-N 1 2 341.333 1.720 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000296618052 444243084 /nfs/dbraw/zinc/24/30/84/444243084.db2.gz GYFDAYAROGFTPW-CVEARBPZSA-N 1 2 342.399 1.436 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000296618052 444243086 /nfs/dbraw/zinc/24/30/86/444243086.db2.gz GYFDAYAROGFTPW-CVEARBPZSA-N 1 2 342.399 1.436 20 30 EDEDLO C[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1cccc(C#N)c1 ZINC000297504785 444294524 /nfs/dbraw/zinc/29/45/24/444294524.db2.gz VKMFIUBEZYNQIE-UHFFFAOYSA-N 1 2 332.404 1.953 20 30 EDEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1cccc(C#N)c1 ZINC000297504785 444294526 /nfs/dbraw/zinc/29/45/26/444294526.db2.gz VKMFIUBEZYNQIE-UHFFFAOYSA-N 1 2 332.404 1.953 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000290603519 444300227 /nfs/dbraw/zinc/30/02/27/444300227.db2.gz AWKVDOXYHZIUAQ-DNVCBOLYSA-N 1 2 345.443 1.989 20 30 EDEDLO C[N@@H+]1CCc2nc(NC(=O)C[C@@H]3CCCS(=O)(=O)C3)sc2C1 ZINC000328802806 444358378 /nfs/dbraw/zinc/35/83/78/444358378.db2.gz CIRYANIVPJOBST-JTQLQIEISA-N 1 2 343.474 1.934 20 30 EDEDLO C[N@H+]1CCc2nc(NC(=O)C[C@@H]3CCCS(=O)(=O)C3)sc2C1 ZINC000328802806 444358383 /nfs/dbraw/zinc/35/83/83/444358383.db2.gz CIRYANIVPJOBST-JTQLQIEISA-N 1 2 343.474 1.934 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+](CCC)CC(=O)Nc1ccccc1OC ZINC000297945208 444364378 /nfs/dbraw/zinc/36/43/78/444364378.db2.gz SIZJWBAMRSOHNO-CQSZACIVSA-N 1 2 331.416 1.484 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CCC)CC(=O)Nc1ccccc1OC ZINC000297945208 444364383 /nfs/dbraw/zinc/36/43/83/444364383.db2.gz SIZJWBAMRSOHNO-CQSZACIVSA-N 1 2 331.416 1.484 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N=c2nc(-c3ccccc3)[nH]s2)C1 ZINC000328827589 444366262 /nfs/dbraw/zinc/36/62/62/444366262.db2.gz JOKKTKPDYRAJKX-LBPRGKRZSA-N 1 2 333.417 1.284 20 30 EDEDLO C[N@H+]1CCO[C@@H](CNC(=O)N=c2nc(-c3ccccc3)[nH]s2)C1 ZINC000328827589 444366266 /nfs/dbraw/zinc/36/62/66/444366266.db2.gz JOKKTKPDYRAJKX-LBPRGKRZSA-N 1 2 333.417 1.284 20 30 EDEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCNC1=O ZINC000340224926 444372298 /nfs/dbraw/zinc/37/22/98/444372298.db2.gz DICKGTCDGJGLDA-AWEZNQCLSA-N 1 2 334.807 1.407 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H]1CCNC1=O ZINC000340224926 444372302 /nfs/dbraw/zinc/37/23/02/444372302.db2.gz DICKGTCDGJGLDA-AWEZNQCLSA-N 1 2 334.807 1.407 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000297755402 444329566 /nfs/dbraw/zinc/32/95/66/444329566.db2.gz PBXNZXBBTCTVHL-MRXNPFEDSA-N 1 2 329.444 1.754 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000297755402 444329569 /nfs/dbraw/zinc/32/95/69/444329569.db2.gz PBXNZXBBTCTVHL-MRXNPFEDSA-N 1 2 329.444 1.754 20 30 EDEDLO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000328927147 444406069 /nfs/dbraw/zinc/40/60/69/444406069.db2.gz WXCRUFRNIAEVOF-STQMWFEESA-N 1 2 329.408 1.944 20 30 EDEDLO CC(C)[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)C(=O)N1CCOCC1 ZINC000328933886 444410969 /nfs/dbraw/zinc/41/09/69/444410969.db2.gz IUGNLNVGJSBOKC-KGLIPLIRSA-N 1 2 343.493 1.264 20 30 EDEDLO COCc1csc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000328940980 444413820 /nfs/dbraw/zinc/41/38/20/444413820.db2.gz FEVMCDVVDHOTGR-VXGBXAGGSA-N 1 2 326.422 1.240 20 30 EDEDLO COCc1csc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC000328940980 444413822 /nfs/dbraw/zinc/41/38/22/444413822.db2.gz FEVMCDVVDHOTGR-VXGBXAGGSA-N 1 2 326.422 1.240 20 30 EDEDLO CCn1cnnc1[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)CCO1 ZINC000328653907 444416171 /nfs/dbraw/zinc/41/61/71/444416171.db2.gz XBOQVYYNIFEPQX-OAHLLOKOSA-N 1 2 337.387 1.391 20 30 EDEDLO C=CCSCCNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000340510858 444419543 /nfs/dbraw/zinc/41/95/43/444419543.db2.gz ZTVGTDMPIWRCMF-UHFFFAOYSA-N 1 2 348.472 1.202 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000340512604 444420067 /nfs/dbraw/zinc/42/00/67/444420067.db2.gz UDZVBUOXWINCMD-GOEBONIOSA-N 1 2 346.431 1.097 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ncnn2C(C)(C)C)CC1 ZINC000328672486 444423643 /nfs/dbraw/zinc/42/36/43/444423643.db2.gz IEHUAYZNWLHDKF-CYBMUJFWSA-N 1 2 334.468 1.658 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)c1cncc(N2CCOCC2)c1 ZINC000328864668 444380609 /nfs/dbraw/zinc/38/06/09/444380609.db2.gz NAVATNIUGIXBTQ-UHFFFAOYSA-N 1 2 341.415 1.956 20 30 EDEDLO CN(C)c1[nH+]cccc1CNC(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000328881753 444387145 /nfs/dbraw/zinc/38/71/45/444387145.db2.gz WSDQBVMHEGHQOW-UHFFFAOYSA-N 1 2 325.434 1.960 20 30 EDEDLO COC(=O)[C@H]([N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1(OC)CCC1 ZINC000298045010 444395615 /nfs/dbraw/zinc/39/56/15/444395615.db2.gz HTPJCSOTGXDJIY-HOCLYGCPSA-N 1 2 345.399 1.517 20 30 EDEDLO COC(=O)[C@H]([N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1(OC)CCC1 ZINC000298045010 444395621 /nfs/dbraw/zinc/39/56/21/444395621.db2.gz HTPJCSOTGXDJIY-HOCLYGCPSA-N 1 2 345.399 1.517 20 30 EDEDLO O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000328752760 444450178 /nfs/dbraw/zinc/45/01/78/444450178.db2.gz RPWAQKNLHXERCB-ZIAGYGMSSA-N 1 2 336.436 1.349 20 30 EDEDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328755482 444450261 /nfs/dbraw/zinc/45/02/61/444450261.db2.gz SXWAWVWDSDZRMZ-FPMFFAJLSA-N 1 2 325.409 1.678 20 30 EDEDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328755482 444450266 /nfs/dbraw/zinc/45/02/66/444450266.db2.gz SXWAWVWDSDZRMZ-FPMFFAJLSA-N 1 2 325.409 1.678 20 30 EDEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CCCCS2)CCO1 ZINC000331227984 444451259 /nfs/dbraw/zinc/45/12/59/444451259.db2.gz GCCHRFCXRWWWEZ-OLZOCXBDSA-N 1 2 344.481 1.354 20 30 EDEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CCCCS2)CCO1 ZINC000331227984 444451260 /nfs/dbraw/zinc/45/12/60/444451260.db2.gz GCCHRFCXRWWWEZ-OLZOCXBDSA-N 1 2 344.481 1.354 20 30 EDEDLO C[C@@](O)(CNC(=O)c1cc(Cl)ccc1O)C[NH+]1CCOCC1 ZINC000331229245 444451330 /nfs/dbraw/zinc/45/13/30/444451330.db2.gz GELCSDHHWFGJMD-OAHLLOKOSA-N 1 2 328.796 1.433 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+]1C[C@@H](C)O ZINC000331240085 444454422 /nfs/dbraw/zinc/45/44/22/444454422.db2.gz WPMJMEVVXYPOPK-VXGBXAGGSA-N 1 2 343.474 1.085 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1C[C@@H](C)O ZINC000331240085 444454426 /nfs/dbraw/zinc/45/44/26/444454426.db2.gz WPMJMEVVXYPOPK-VXGBXAGGSA-N 1 2 343.474 1.085 20 30 EDEDLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NC2CCC(F)(F)CC2)CCO1 ZINC000331254428 444458523 /nfs/dbraw/zinc/45/85/23/444458523.db2.gz WZTSFKBMTBDGIW-LBPRGKRZSA-N 1 2 348.394 1.646 20 30 EDEDLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NC2CCC(F)(F)CC2)CCO1 ZINC000331254428 444458525 /nfs/dbraw/zinc/45/85/25/444458525.db2.gz WZTSFKBMTBDGIW-LBPRGKRZSA-N 1 2 348.394 1.646 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)C1CCOCC1 ZINC000329112687 444475433 /nfs/dbraw/zinc/47/54/33/444475433.db2.gz HFLXNZPAZRVWJM-UKRRQHHQSA-N 1 2 349.435 1.012 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1=O ZINC000331441505 444472674 /nfs/dbraw/zinc/47/26/74/444472674.db2.gz XSTVCTYSNCPPIC-QGZVFWFLSA-N 1 2 328.391 1.606 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cncc(-n2ccnn2)c1 ZINC000328715471 444439041 /nfs/dbraw/zinc/43/90/41/444439041.db2.gz SUYLSXUXYKZESK-UHFFFAOYSA-N 1 2 330.392 1.078 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cncc(-n2ccnn2)c1 ZINC000328715471 444439042 /nfs/dbraw/zinc/43/90/42/444439042.db2.gz SUYLSXUXYKZESK-UHFFFAOYSA-N 1 2 330.392 1.078 20 30 EDEDLO CC(C)(C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)[NH+]1CCOCC1 ZINC000328734342 444444485 /nfs/dbraw/zinc/44/44/85/444444485.db2.gz KBQSCERIABMQMZ-OAHLLOKOSA-N 1 2 337.464 1.702 20 30 EDEDLO Cc1noc(C)c1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000329196481 444498538 /nfs/dbraw/zinc/49/85/38/444498538.db2.gz SYICPYLBFNYCQB-OAHLLOKOSA-N 1 2 340.449 1.825 20 30 EDEDLO Cc1ccc(NC(=O)C2([NH+]3CCOCC3)CCC2)cc1-n1cnnn1 ZINC000329115310 444476110 /nfs/dbraw/zinc/47/61/10/444476110.db2.gz SSPHUJGWOZIJBQ-UHFFFAOYSA-N 1 2 342.403 1.814 20 30 EDEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329116871 444476459 /nfs/dbraw/zinc/47/64/59/444476459.db2.gz NPPIMTJVSPCZFO-RDTXWAMCSA-N 1 2 348.447 1.604 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000329241495 444510515 /nfs/dbraw/zinc/51/05/15/444510515.db2.gz RRGRAYQKVFDTPM-MXASKKJJSA-N 1 2 337.464 1.653 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329262796 444515885 /nfs/dbraw/zinc/51/58/85/444515885.db2.gz GHTHLEQGNLFSJJ-YRGRVCCFSA-N 1 2 326.441 1.354 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329262796 444515886 /nfs/dbraw/zinc/51/58/86/444515886.db2.gz GHTHLEQGNLFSJJ-YRGRVCCFSA-N 1 2 326.441 1.354 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc2c(c1)COC2 ZINC000329269851 444517323 /nfs/dbraw/zinc/51/73/23/444517323.db2.gz INLDQJDVTKMERQ-KDOFPFPSSA-N 1 2 345.443 1.926 20 30 EDEDLO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[C@H]1CCCCO1 ZINC000329308094 444530110 /nfs/dbraw/zinc/53/01/10/444530110.db2.gz YQPYXQNFIKIBCX-CAOSSQGBSA-N 1 2 325.453 1.653 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@]1(C)CCCOC1)C1CCOCC1 ZINC000329318423 444532469 /nfs/dbraw/zinc/53/24/69/444532469.db2.gz IFOMLZZAKGBXQM-RHSMWYFYSA-N 1 2 336.436 1.961 20 30 EDEDLO NC(=O)c1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cn1 ZINC000329369486 444552168 /nfs/dbraw/zinc/55/21/68/444552168.db2.gz IIRBPWBCTLERJS-OAHLLOKOSA-N 1 2 332.404 1.280 20 30 EDEDLO NC(=O)c1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cn1 ZINC000329369486 444552173 /nfs/dbraw/zinc/55/21/73/444552173.db2.gz IIRBPWBCTLERJS-OAHLLOKOSA-N 1 2 332.404 1.280 20 30 EDEDLO C[C@H]1CC[C@H](C)N1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329466665 444591745 /nfs/dbraw/zinc/59/17/45/444591745.db2.gz VQVNTEVDANYGNC-KBPBESRZSA-N 1 2 345.447 1.888 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CSc1ccc(O)cc1 ZINC000340951773 444593956 /nfs/dbraw/zinc/59/39/56/444593956.db2.gz JNLUWBLMAOBEAH-UHFFFAOYSA-N 1 2 349.456 1.559 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cncc3nncn32)CC1 ZINC000329474288 444595628 /nfs/dbraw/zinc/59/56/28/444595628.db2.gz SSQRBMYYGLUZTD-CYBMUJFWSA-N 1 2 343.435 1.534 20 30 EDEDLO Cc1nnc([C@H](C)NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)s1 ZINC000329526383 444615662 /nfs/dbraw/zinc/61/56/62/444615662.db2.gz RJYRAPUGJXPAOU-VIFPVBQESA-N 1 2 340.453 1.753 20 30 EDEDLO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[C@H]1CCCOC1 ZINC000329535565 444619072 /nfs/dbraw/zinc/61/90/72/444619072.db2.gz ZMXQEQRPRVKQQQ-HRCADAONSA-N 1 2 325.453 1.512 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCOc4cc(F)ccc43)C[C@@H]21 ZINC000329545181 444622605 /nfs/dbraw/zinc/62/26/05/444622605.db2.gz GLQSFHURRCZTEF-YQQAZPJKSA-N 1 2 349.406 1.968 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCOc4cc(F)ccc43)C[C@@H]21 ZINC000329545181 444622608 /nfs/dbraw/zinc/62/26/08/444622608.db2.gz GLQSFHURRCZTEF-YQQAZPJKSA-N 1 2 349.406 1.968 20 30 EDEDLO Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000329633694 444657643 /nfs/dbraw/zinc/65/76/43/444657643.db2.gz SPQQNPJSQNULSA-OFQRWUPVSA-N 1 2 335.452 1.438 20 30 EDEDLO C[C@H](CNC(=O)N1CCO[C@H](C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000329671870 444674231 /nfs/dbraw/zinc/67/42/31/444674231.db2.gz NIBWSSJHQIOKKG-WBVHZDCISA-N 1 2 339.480 1.902 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000329695079 444683023 /nfs/dbraw/zinc/68/30/23/444683023.db2.gz BFUTXPWHGRYETB-CYBMUJFWSA-N 1 2 333.436 1.190 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc4c3OCC(=O)N4)C[C@H]21 ZINC000329798825 444721137 /nfs/dbraw/zinc/72/11/37/444721137.db2.gz XPFPVCMWZIAJMN-CHWSQXEVSA-N 1 2 332.360 1.227 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc4c3OCC(=O)N4)C[C@H]21 ZINC000329798825 444721140 /nfs/dbraw/zinc/72/11/40/444721140.db2.gz XPFPVCMWZIAJMN-CHWSQXEVSA-N 1 2 332.360 1.227 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC(Cn2ccnn2)CC1 ZINC000329727488 444694665 /nfs/dbraw/zinc/69/46/65/444694665.db2.gz OVCNSRNKIOGOEL-ZDUSSCGKSA-N 1 2 329.408 1.185 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC(Cn2ccnn2)CC1 ZINC000329727488 444694668 /nfs/dbraw/zinc/69/46/68/444694668.db2.gz OVCNSRNKIOGOEL-ZDUSSCGKSA-N 1 2 329.408 1.185 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000329941761 444779005 /nfs/dbraw/zinc/77/90/05/444779005.db2.gz VGRLBAOSKLGTKT-QWHCGFSZSA-N 1 2 334.376 1.897 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)CC2(O)CCCC2)cn1 ZINC000329979825 444797517 /nfs/dbraw/zinc/79/75/17/444797517.db2.gz KILYDRIVZDXAHR-GJZGRUSLSA-N 1 2 338.427 1.984 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)CC2(O)CCCC2)cn1 ZINC000329979825 444797520 /nfs/dbraw/zinc/79/75/20/444797520.db2.gz KILYDRIVZDXAHR-GJZGRUSLSA-N 1 2 338.427 1.984 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329954647 444785952 /nfs/dbraw/zinc/78/59/52/444785952.db2.gz KETXZCMBIOXXQJ-IFIJOSMWSA-N 1 2 347.415 1.449 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000329954647 444785956 /nfs/dbraw/zinc/78/59/56/444785956.db2.gz KETXZCMBIOXXQJ-IFIJOSMWSA-N 1 2 347.415 1.449 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329954647 444785959 /nfs/dbraw/zinc/78/59/59/444785959.db2.gz KETXZCMBIOXXQJ-IFIJOSMWSA-N 1 2 347.415 1.449 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329954647 444785962 /nfs/dbraw/zinc/78/59/62/444785962.db2.gz KETXZCMBIOXXQJ-IFIJOSMWSA-N 1 2 347.415 1.449 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)N[C@H]2CC[C@H](O)CC2)C1 ZINC000330061958 444830817 /nfs/dbraw/zinc/83/08/17/444830817.db2.gz OTOLSHLCPCPVLK-KKUMJFAQSA-N 1 2 333.436 1.200 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)N[C@H]2CC[C@H](O)CC2)C1 ZINC000330061958 444830821 /nfs/dbraw/zinc/83/08/21/444830821.db2.gz OTOLSHLCPCPVLK-KKUMJFAQSA-N 1 2 333.436 1.200 20 30 EDEDLO C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)Nc1nc2c(s1)CCC2 ZINC000330132732 444856309 /nfs/dbraw/zinc/85/63/09/444856309.db2.gz QPTONLBFIQYWDJ-PWSUYJOCSA-N 1 2 325.434 1.692 20 30 EDEDLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)Nc1nc2c(s1)CCC2 ZINC000330132732 444856312 /nfs/dbraw/zinc/85/63/12/444856312.db2.gz QPTONLBFIQYWDJ-PWSUYJOCSA-N 1 2 325.434 1.692 20 30 EDEDLO O=C(NC[C@H]1CCCS1(=O)=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330142013 444860585 /nfs/dbraw/zinc/86/05/85/444860585.db2.gz QHQSVYRYRVYXGJ-NWDGAFQWSA-N 1 2 326.422 1.080 20 30 EDEDLO COc1ccc(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1Cl ZINC000330157444 444866524 /nfs/dbraw/zinc/86/65/24/444866524.db2.gz PJFMGXNEOBZBBT-HIFRSBDPSA-N 1 2 339.823 1.777 20 30 EDEDLO COc1ccc(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1Cl ZINC000330157444 444866528 /nfs/dbraw/zinc/86/65/28/444866528.db2.gz PJFMGXNEOBZBBT-HIFRSBDPSA-N 1 2 339.823 1.777 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330213662 444891370 /nfs/dbraw/zinc/89/13/70/444891370.db2.gz LBQWDBFIJUINLK-CQSZACIVSA-N 1 2 325.453 1.703 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330213662 444891375 /nfs/dbraw/zinc/89/13/75/444891375.db2.gz LBQWDBFIJUINLK-CQSZACIVSA-N 1 2 325.453 1.703 20 30 EDEDLO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330278637 444918615 /nfs/dbraw/zinc/91/86/15/444918615.db2.gz PWXPJMZAJORGEO-QWHCGFSZSA-N 1 2 343.435 1.431 20 30 EDEDLO CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000330278637 444918622 /nfs/dbraw/zinc/91/86/22/444918622.db2.gz PWXPJMZAJORGEO-QWHCGFSZSA-N 1 2 343.435 1.431 20 30 EDEDLO CC(C)Oc1cccc(CNC(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000330313239 444933177 /nfs/dbraw/zinc/93/31/77/444933177.db2.gz XAPVVSOZNWEDGM-MSOLQXFVSA-N 1 2 347.459 1.945 20 30 EDEDLO CC(C)Oc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000330313239 444933180 /nfs/dbraw/zinc/93/31/80/444933180.db2.gz XAPVVSOZNWEDGM-MSOLQXFVSA-N 1 2 347.459 1.945 20 30 EDEDLO CC(C)Oc1cccc(CNC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000330313239 444933183 /nfs/dbraw/zinc/93/31/83/444933183.db2.gz XAPVVSOZNWEDGM-MSOLQXFVSA-N 1 2 347.459 1.945 20 30 EDEDLO CC(C)Oc1cccc(CNC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000330313239 444933187 /nfs/dbraw/zinc/93/31/87/444933187.db2.gz XAPVVSOZNWEDGM-MSOLQXFVSA-N 1 2 347.459 1.945 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCC(=O)N2CCCCC2)CCO1 ZINC000330320421 444935734 /nfs/dbraw/zinc/93/57/34/444935734.db2.gz FBPNRIIWLFDIKV-HIFRSBDPSA-N 1 2 349.435 1.156 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000330459932 444990259 /nfs/dbraw/zinc/99/02/59/444990259.db2.gz JLYXQQFTUILZBN-BQFCYCMXSA-N 1 2 333.407 1.988 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000330459932 444990262 /nfs/dbraw/zinc/99/02/62/444990262.db2.gz JLYXQQFTUILZBN-BQFCYCMXSA-N 1 2 333.407 1.988 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000337221451 444991986 /nfs/dbraw/zinc/99/19/86/444991986.db2.gz MKDURBHFZAIEKO-INIZCTEOSA-N 1 2 331.464 1.127 20 30 EDEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000330657260 445083384 /nfs/dbraw/zinc/08/33/84/445083384.db2.gz VRIUDXOYEMSVAV-AEFFLSMTSA-N 1 2 336.480 1.180 20 30 EDEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000330657260 445083385 /nfs/dbraw/zinc/08/33/85/445083385.db2.gz VRIUDXOYEMSVAV-AEFFLSMTSA-N 1 2 336.480 1.180 20 30 EDEDLO CC(C)CC(=O)N1CCC(NC(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000330708613 445105651 /nfs/dbraw/zinc/10/56/51/445105651.db2.gz QYEHAOXZQGVYMC-UHFFFAOYSA-N 1 2 335.452 1.803 20 30 EDEDLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000330716650 445109175 /nfs/dbraw/zinc/10/91/75/445109175.db2.gz ZIKABZOWPGLXAD-KGLIPLIRSA-N 1 2 335.452 1.849 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330853392 445167054 /nfs/dbraw/zinc/16/70/54/445167054.db2.gz GMEYSJQZEAEXMA-BNOWGMLFSA-N 1 2 335.370 1.819 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330853392 445167062 /nfs/dbraw/zinc/16/70/62/445167062.db2.gz GMEYSJQZEAEXMA-BNOWGMLFSA-N 1 2 335.370 1.819 20 30 EDEDLO C[C@H](C[S@](C)=O)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000330866154 445172490 /nfs/dbraw/zinc/17/24/90/445172490.db2.gz ZLYDLKXDUKOXTP-GTJPDFRWSA-N 1 2 329.491 1.547 20 30 EDEDLO N#CCCn1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)n1 ZINC000345353365 445183233 /nfs/dbraw/zinc/18/32/33/445183233.db2.gz XXVMNBKYHZSZOZ-UHFFFAOYSA-N 1 2 349.398 2.363 20 30 EDEDLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330812490 445150709 /nfs/dbraw/zinc/15/07/09/445150709.db2.gz KSWDYIUKGSQDCC-GFCCVEGCSA-N 1 2 325.331 1.062 20 30 EDEDLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000330812490 445150710 /nfs/dbraw/zinc/15/07/10/445150710.db2.gz KSWDYIUKGSQDCC-GFCCVEGCSA-N 1 2 325.331 1.062 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000346429788 445214702 /nfs/dbraw/zinc/21/47/02/445214702.db2.gz WRNUASQGIWOOKN-ZIAGYGMSSA-N 1 2 333.436 1.565 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000346429784 445214878 /nfs/dbraw/zinc/21/48/78/445214878.db2.gz WRNUASQGIWOOKN-KGLIPLIRSA-N 1 2 333.436 1.565 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1[C@@H](NC(=O)NCCCC#N)CCC(=O)N1C1CC1 ZINC000347819449 445250194 /nfs/dbraw/zinc/25/01/94/445250194.db2.gz POZXOEDGLJVFDJ-BBRMVZONSA-N 1 2 344.419 1.218 20 30 EDEDLO COCC1(C#N)CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000357086670 445419266 /nfs/dbraw/zinc/41/92/66/445419266.db2.gz KSOBKVXLNMWVQM-MRXNPFEDSA-N 1 2 335.448 1.266 20 30 EDEDLO COCC1(C#N)CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000357086670 445419269 /nfs/dbraw/zinc/41/92/69/445419269.db2.gz KSOBKVXLNMWVQM-MRXNPFEDSA-N 1 2 335.448 1.266 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000352515907 445535435 /nfs/dbraw/zinc/53/54/35/445535435.db2.gz ITXZPRLLXMFBHQ-SJORKVTESA-N 1 2 342.505 1.539 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1COC[C@@H]1O ZINC000352817330 445556934 /nfs/dbraw/zinc/55/69/34/445556934.db2.gz QTXLNVQICCDRLF-YUELXQCFSA-N 1 2 349.456 1.568 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352817330 445556938 /nfs/dbraw/zinc/55/69/38/445556938.db2.gz QTXLNVQICCDRLF-YUELXQCFSA-N 1 2 349.456 1.568 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CCCC1 ZINC000352929194 445565316 /nfs/dbraw/zinc/56/53/16/445565316.db2.gz CBDXAWMYONLGSP-HNNXBMFYSA-N 1 2 335.429 1.948 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCC1 ZINC000352929195 445565367 /nfs/dbraw/zinc/56/53/67/445565367.db2.gz CBDXAWMYONLGSP-OAHLLOKOSA-N 1 2 335.429 1.948 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC(=O)NCc1cccs1 ZINC000353248582 445582042 /nfs/dbraw/zinc/58/20/42/445582042.db2.gz DLTDQAXHNRYJLI-AWEZNQCLSA-N 1 2 335.473 1.885 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000353248582 445582044 /nfs/dbraw/zinc/58/20/44/445582044.db2.gz DLTDQAXHNRYJLI-AWEZNQCLSA-N 1 2 335.473 1.885 20 30 EDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000360050439 445545839 /nfs/dbraw/zinc/54/58/39/445545839.db2.gz BBKXHYHLPTYDLP-UHFFFAOYSA-N 1 2 325.821 1.752 20 30 EDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000360050439 445545842 /nfs/dbraw/zinc/54/58/42/445545842.db2.gz BBKXHYHLPTYDLP-UHFFFAOYSA-N 1 2 325.821 1.752 20 30 EDEDLO CCOc1ccnc(N2CCC[N@H+](Cc3nc(C#N)cs3)CC2)n1 ZINC000356123174 445633805 /nfs/dbraw/zinc/63/38/05/445633805.db2.gz HOBRFRKLCVJDBJ-UHFFFAOYSA-N 1 2 344.444 1.916 20 30 EDEDLO CCOc1ccnc(N2CCC[N@@H+](Cc3nc(C#N)cs3)CC2)n1 ZINC000356123174 445633810 /nfs/dbraw/zinc/63/38/10/445633810.db2.gz HOBRFRKLCVJDBJ-UHFFFAOYSA-N 1 2 344.444 1.916 20 30 EDEDLO CO[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000349775531 445673965 /nfs/dbraw/zinc/67/39/65/445673965.db2.gz RFCSRYBQKGPHHK-QZTJIDSGSA-N 1 2 342.443 1.953 20 30 EDEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@H]1C[C@H](F)CN1c1ccncn1 ZINC000356399253 445772032 /nfs/dbraw/zinc/77/20/32/445772032.db2.gz BSAPDJRZXLNPID-WCQYABFASA-N 1 2 332.408 1.854 20 30 EDEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@H]1C[C@H](F)CN1c1ccncn1 ZINC000356399253 445772035 /nfs/dbraw/zinc/77/20/35/445772035.db2.gz BSAPDJRZXLNPID-WCQYABFASA-N 1 2 332.408 1.854 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000356508722 445831174 /nfs/dbraw/zinc/83/11/74/445831174.db2.gz FYYJEAIHAJGJNK-KRWDZBQOSA-N 1 2 339.436 1.039 20 30 EDEDLO C=C(C)CN(CC)C(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000363698557 445869788 /nfs/dbraw/zinc/86/97/88/445869788.db2.gz OEYKKMCHWZXYDP-QGZVFWFLSA-N 1 2 325.453 1.475 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](CC)CCCC)CC1 ZINC000364562013 445932335 /nfs/dbraw/zinc/93/23/35/445932335.db2.gz RFDDJKSQSNCAQU-QGZVFWFLSA-N 1 2 335.492 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](CC)CCCC)CC1 ZINC000364562013 445932343 /nfs/dbraw/zinc/93/23/43/445932343.db2.gz RFDDJKSQSNCAQU-QGZVFWFLSA-N 1 2 335.492 1.877 20 30 EDEDLO N#CCSCCC[N@H+]1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000364340538 445912371 /nfs/dbraw/zinc/91/23/71/445912371.db2.gz RXVGUAXVGAUDHE-CQSZACIVSA-N 1 2 344.440 1.818 20 30 EDEDLO N#CCSCCC[N@@H+]1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000364340538 445912376 /nfs/dbraw/zinc/91/23/76/445912376.db2.gz RXVGUAXVGAUDHE-CQSZACIVSA-N 1 2 344.440 1.818 20 30 EDEDLO C=CCNC(=O)c1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)nc1 ZINC000369085098 445921116 /nfs/dbraw/zinc/92/11/16/445921116.db2.gz PXIHFMABEFOXCW-MRXNPFEDSA-N 1 2 341.415 1.671 20 30 EDEDLO Cn1ncc2c1nc(N1CCO[C@@H](c3cccc(C#N)c3)C1)[nH+]c2N ZINC000373046070 445992311 /nfs/dbraw/zinc/99/23/11/445992311.db2.gz UOPMHSFGOKDBSJ-CQSZACIVSA-N 1 2 335.371 1.395 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NS(=O)(=O)c2ccc(C#N)cc2)no1 ZINC000354242345 446037905 /nfs/dbraw/zinc/03/79/05/446037905.db2.gz ZBDVLXDZWJRYJF-UHFFFAOYSA-N 1 2 349.416 1.216 20 30 EDEDLO N#CCc1cccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)c1 ZINC000366297953 446135919 /nfs/dbraw/zinc/13/59/19/446135919.db2.gz NXIIMUDCFAMFNO-LJQANCHMSA-N 1 2 343.427 1.364 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000366220917 446089870 /nfs/dbraw/zinc/08/98/70/446089870.db2.gz GRXMXDBVBGYUPJ-IAGOWNOFSA-N 1 2 349.456 1.480 20 30 EDEDLO C#CCOCCC(=O)NC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000365265516 446111845 /nfs/dbraw/zinc/11/18/45/446111845.db2.gz KKILWAKFKATDQW-UHFFFAOYSA-N 1 2 340.427 1.683 20 30 EDEDLO C#CCOCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000369877495 446163678 /nfs/dbraw/zinc/16/36/78/446163678.db2.gz JDEPAFVNUVWMRA-OAHLLOKOSA-N 1 2 334.420 1.231 20 30 EDEDLO C#CCOCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000369877495 446163681 /nfs/dbraw/zinc/16/36/81/446163681.db2.gz JDEPAFVNUVWMRA-OAHLLOKOSA-N 1 2 334.420 1.231 20 30 EDEDLO CC[C@](C)(C#N)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000351544937 446145835 /nfs/dbraw/zinc/14/58/35/446145835.db2.gz PCQVCCFFHXNDCE-LJQANCHMSA-N 1 2 345.443 1.954 20 30 EDEDLO N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000366633432 446287606 /nfs/dbraw/zinc/28/76/06/446287606.db2.gz SCZDVTGVEBITRO-OAHLLOKOSA-N 1 2 336.399 1.061 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000366751792 446334627 /nfs/dbraw/zinc/33/46/27/446334627.db2.gz ZJLKJHIGCBMAON-DLBZAZTESA-N 1 2 335.492 1.644 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)C[N@@H+]2CCc3sccc3C2)C1=O ZINC000366853344 446383457 /nfs/dbraw/zinc/38/34/57/446383457.db2.gz RCPLUSZGTJSDON-CQSZACIVSA-N 1 2 333.457 1.352 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)C[N@H+]2CCc3sccc3C2)C1=O ZINC000366853344 446383461 /nfs/dbraw/zinc/38/34/61/446383461.db2.gz RCPLUSZGTJSDON-CQSZACIVSA-N 1 2 333.457 1.352 20 30 EDEDLO N#Cc1cccc(CCNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000366870757 446391164 /nfs/dbraw/zinc/39/11/64/446391164.db2.gz QPVJQEILPRAFEH-SFHVURJKSA-N 1 2 327.428 1.718 20 30 EDEDLO N#Cc1cccc(CCNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000366870757 446391167 /nfs/dbraw/zinc/39/11/67/446391167.db2.gz QPVJQEILPRAFEH-SFHVURJKSA-N 1 2 327.428 1.718 20 30 EDEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000374826282 446408507 /nfs/dbraw/zinc/40/85/07/446408507.db2.gz QVBOUEWMNOVMFB-UHFFFAOYSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000374826282 446408511 /nfs/dbraw/zinc/40/85/11/446408511.db2.gz QVBOUEWMNOVMFB-UHFFFAOYSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1F ZINC000374827722 446408989 /nfs/dbraw/zinc/40/89/89/446408989.db2.gz VKRUXXOERPLXJZ-UHFFFAOYSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1F ZINC000374827722 446408994 /nfs/dbraw/zinc/40/89/94/446408994.db2.gz VKRUXXOERPLXJZ-UHFFFAOYSA-N 1 2 337.420 1.697 20 30 EDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)CC(=O)NC1(C#N)CCCCC1 ZINC000434703533 446657630 /nfs/dbraw/zinc/65/76/30/446657630.db2.gz UTEVXOBRKQVIOT-UHFFFAOYSA-N 1 2 336.480 1.372 20 30 EDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)CC(=O)NC1(C#N)CCCCC1 ZINC000434703533 446657642 /nfs/dbraw/zinc/65/76/42/446657642.db2.gz UTEVXOBRKQVIOT-UHFFFAOYSA-N 1 2 336.480 1.372 20 30 EDEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000434914005 446666643 /nfs/dbraw/zinc/66/66/43/446666643.db2.gz LXKBGAHIGKGTDR-UHFFFAOYSA-N 1 2 340.387 1.292 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000411785704 446675432 /nfs/dbraw/zinc/67/54/32/446675432.db2.gz JDPPUWORVACIEL-KGLIPLIRSA-N 1 2 326.404 1.939 20 30 EDEDLO C[C@@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000435092212 446678070 /nfs/dbraw/zinc/67/80/70/446678070.db2.gz SDWVWAREDRUZHO-QAPCUYQASA-N 1 2 339.439 1.769 20 30 EDEDLO Cc1nccnc1N1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000440488833 446844175 /nfs/dbraw/zinc/84/41/75/446844175.db2.gz NKBMRQVMIOACOR-MAUKXSAKSA-N 1 2 344.463 1.350 20 30 EDEDLO C=CCOCCNC(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000375730272 447006766 /nfs/dbraw/zinc/00/67/66/447006766.db2.gz KWSWQZOZFZBFBC-OAHLLOKOSA-N 1 2 336.436 1.873 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)COC3CCOCC3)CCO2)c1 ZINC000372344909 447040985 /nfs/dbraw/zinc/04/09/85/447040985.db2.gz IOKOVYCWOHOEKA-MJGOQNOKSA-N 1 2 346.427 1.488 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)COC3CCOCC3)CCO2)c1 ZINC000372344909 447040991 /nfs/dbraw/zinc/04/09/91/447040991.db2.gz IOKOVYCWOHOEKA-MJGOQNOKSA-N 1 2 346.427 1.488 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000372525428 447109605 /nfs/dbraw/zinc/10/96/05/447109605.db2.gz XHDNHWVQUCUWJH-ZDUSSCGKSA-N 1 2 339.374 1.834 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000372525428 447109610 /nfs/dbraw/zinc/10/96/10/447109610.db2.gz XHDNHWVQUCUWJH-ZDUSSCGKSA-N 1 2 339.374 1.834 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455551454 447165725 /nfs/dbraw/zinc/16/57/25/447165725.db2.gz XUBYMSSPOCVBJI-CJNGLKHVSA-N 1 2 346.406 1.702 20 30 EDEDLO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000425493240 447191772 /nfs/dbraw/zinc/19/17/72/447191772.db2.gz VAXHTPMFMYMIPB-NXEZZACHSA-N 1 2 336.417 1.531 20 30 EDEDLO C[C@@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000455791738 447230081 /nfs/dbraw/zinc/23/00/81/447230081.db2.gz QTBUWXZZEZDONE-GHMZBOCLSA-N 1 2 337.811 1.837 20 30 EDEDLO Cc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)c(C(=O)NCC(C)C)c1 ZINC000414118485 447276892 /nfs/dbraw/zinc/27/68/92/447276892.db2.gz AUVFCWLFDWTTOZ-INIZCTEOSA-N 1 2 347.459 1.966 20 30 EDEDLO Cc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c(C(=O)NCC(C)C)c1 ZINC000414118485 447276900 /nfs/dbraw/zinc/27/69/00/447276900.db2.gz AUVFCWLFDWTTOZ-INIZCTEOSA-N 1 2 347.459 1.966 20 30 EDEDLO N#Cc1cccc(Nc2ccn(CC[NH+]3CCOCC3)n2)c1[N+](=O)[O-] ZINC000450329218 447457634 /nfs/dbraw/zinc/45/76/34/447457634.db2.gz PYGOFSPYNVXNGT-UHFFFAOYSA-N 1 2 342.359 1.739 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450539617 447519290 /nfs/dbraw/zinc/51/92/90/447519290.db2.gz LZBOKTJNQMZTAN-GFCCVEGCSA-N 1 2 332.360 1.763 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450539617 447519296 /nfs/dbraw/zinc/51/92/96/447519296.db2.gz LZBOKTJNQMZTAN-GFCCVEGCSA-N 1 2 332.360 1.763 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)NCc2ccc(C#N)c(F)c2)CCO1 ZINC000459106404 447575850 /nfs/dbraw/zinc/57/58/50/447575850.db2.gz CLXPDLOERKCXCQ-HNNXBMFYSA-N 1 2 334.395 1.607 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(C#N)c(F)c2)CCO1 ZINC000459106404 447575856 /nfs/dbraw/zinc/57/58/56/447575856.db2.gz CLXPDLOERKCXCQ-HNNXBMFYSA-N 1 2 334.395 1.607 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459345223 447641933 /nfs/dbraw/zinc/64/19/33/447641933.db2.gz ARWNGKCKUMBSAX-UHFFFAOYSA-N 1 2 331.420 1.107 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000416479491 447618426 /nfs/dbraw/zinc/61/84/26/447618426.db2.gz KAKDYWMZAGWSEW-AVGNSLFASA-N 1 2 345.465 1.834 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000416479491 447618428 /nfs/dbraw/zinc/61/84/28/447618428.db2.gz KAKDYWMZAGWSEW-AVGNSLFASA-N 1 2 345.465 1.834 20 30 EDEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000408083266 447628121 /nfs/dbraw/zinc/62/81/21/447628121.db2.gz ISDZYKCAYZYQMG-QWRGUYRKSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000408083266 447628128 /nfs/dbraw/zinc/62/81/28/447628128.db2.gz ISDZYKCAYZYQMG-QWRGUYRKSA-N 1 2 327.837 1.925 20 30 EDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000459444103 447667453 /nfs/dbraw/zinc/66/74/53/447667453.db2.gz ACJFXWYWOVCEOF-WFASDCNBSA-N 1 2 332.379 1.316 20 30 EDEDLO Cc1nnnn1-c1ccc(F)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000459471175 447679188 /nfs/dbraw/zinc/67/91/88/447679188.db2.gz VMRZLOPKFOLCGY-RISCZKNCSA-N 1 2 343.366 1.330 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459473649 447679856 /nfs/dbraw/zinc/67/98/56/447679856.db2.gz XBLZTMXUYUYENK-HIFRSBDPSA-N 1 2 330.388 1.761 20 30 EDEDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459473649 447679864 /nfs/dbraw/zinc/67/98/64/447679864.db2.gz XBLZTMXUYUYENK-HIFRSBDPSA-N 1 2 330.388 1.761 20 30 EDEDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459473649 447679869 /nfs/dbraw/zinc/67/98/69/447679869.db2.gz XBLZTMXUYUYENK-HIFRSBDPSA-N 1 2 330.388 1.761 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429259248 447737821 /nfs/dbraw/zinc/73/78/21/447737821.db2.gz SVJYOCJTYKIBRR-ZDUSSCGKSA-N 1 2 334.395 1.348 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429259248 447737823 /nfs/dbraw/zinc/73/78/23/447737823.db2.gz SVJYOCJTYKIBRR-ZDUSSCGKSA-N 1 2 334.395 1.348 20 30 EDEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000451878405 447771886 /nfs/dbraw/zinc/77/18/86/447771886.db2.gz HGCJOELTYDHMIK-LBPRGKRZSA-N 1 2 332.370 1.365 20 30 EDEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000451878405 447771889 /nfs/dbraw/zinc/77/18/89/447771889.db2.gz HGCJOELTYDHMIK-LBPRGKRZSA-N 1 2 332.370 1.365 20 30 EDEDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000496515461 447801482 /nfs/dbraw/zinc/80/14/82/447801482.db2.gz UOYUUZKVSFMYEE-AWEZNQCLSA-N 1 2 341.371 1.881 20 30 EDEDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000496515461 447801486 /nfs/dbraw/zinc/80/14/86/447801486.db2.gz UOYUUZKVSFMYEE-AWEZNQCLSA-N 1 2 341.371 1.881 20 30 EDEDLO COc1ccc(N2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)nc1 ZINC000452045481 447808677 /nfs/dbraw/zinc/80/86/77/447808677.db2.gz GDWVRSHKXBQNMF-SFHVURJKSA-N 1 2 343.431 1.021 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCOCC(F)(F)F ZINC000523347652 447880459 /nfs/dbraw/zinc/88/04/59/447880459.db2.gz ZXZZMCUWTDYUPS-UHFFFAOYSA-N 1 2 337.342 1.030 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CC(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 ZINC000491200618 447951879 /nfs/dbraw/zinc/95/18/79/447951879.db2.gz BMNZFNAQMXZKLT-UHFFFAOYSA-N 1 2 343.427 1.478 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(NC(C)(C)C)nc(NCC)[nH+]1 ZINC000553545386 447994271 /nfs/dbraw/zinc/99/42/71/447994271.db2.gz ZFRDXBFPTJZWBG-OLZOCXBDSA-N 1 2 334.468 1.751 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(NCC)[nH+]c(NC(C)(C)C)n1 ZINC000553545386 447994276 /nfs/dbraw/zinc/99/42/76/447994276.db2.gz ZFRDXBFPTJZWBG-OLZOCXBDSA-N 1 2 334.468 1.751 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(NCC)nc(NC(C)(C)C)[nH+]1 ZINC000553545386 447994278 /nfs/dbraw/zinc/99/42/78/447994278.db2.gz ZFRDXBFPTJZWBG-OLZOCXBDSA-N 1 2 334.468 1.751 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cc2c(Br)cnn2C)CC1 ZINC000491338524 447997540 /nfs/dbraw/zinc/99/75/40/447997540.db2.gz JEYOOFJUTMAKON-UHFFFAOYSA-N 1 2 339.237 1.144 20 30 EDEDLO C#C[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000491340002 447999643 /nfs/dbraw/zinc/99/96/43/447999643.db2.gz USFCFKJELIMEJP-KEYYUXOJSA-N 1 2 333.407 1.908 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)/C=C/c2ccc(OCC#N)cc2)CCO1 ZINC000491416812 448020595 /nfs/dbraw/zinc/02/05/95/448020595.db2.gz MLTIWSCAOCCGPV-SZTZYQKNSA-N 1 2 329.400 1.439 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)/C=C/c2ccc(OCC#N)cc2)CCO1 ZINC000491416812 448020599 /nfs/dbraw/zinc/02/05/99/448020599.db2.gz MLTIWSCAOCCGPV-SZTZYQKNSA-N 1 2 329.400 1.439 20 30 EDEDLO COC(=O)c1ccc(Cl)cc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000570497613 448026016 /nfs/dbraw/zinc/02/60/16/448026016.db2.gz RILHTLYNFOVJGH-LBPRGKRZSA-N 1 2 326.780 1.712 20 30 EDEDLO COC(=O)c1ccc(Cl)cc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000570497613 448026022 /nfs/dbraw/zinc/02/60/22/448026022.db2.gz RILHTLYNFOVJGH-LBPRGKRZSA-N 1 2 326.780 1.712 20 30 EDEDLO C=CCn1c(C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000554640883 448047082 /nfs/dbraw/zinc/04/70/82/448047082.db2.gz YSTTVOIBBPUVTC-CQSZACIVSA-N 1 2 346.479 1.342 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1 ZINC000491710420 448084513 /nfs/dbraw/zinc/08/45/13/448084513.db2.gz SETSEYFXCVIPAB-UHFFFAOYSA-N 1 2 340.383 1.553 20 30 EDEDLO C#CC[N@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1 ZINC000491710420 448084516 /nfs/dbraw/zinc/08/45/16/448084516.db2.gz SETSEYFXCVIPAB-UHFFFAOYSA-N 1 2 340.383 1.553 20 30 EDEDLO Cc1noc([C@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)C2CCOCC2)n1 ZINC000526047642 448086803 /nfs/dbraw/zinc/08/68/03/448086803.db2.gz YBCHNBIHKOJECZ-SMDDNHRTSA-N 1 2 347.419 1.386 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2ccc(F)cn2)n1 ZINC000491753792 448106157 /nfs/dbraw/zinc/10/61/57/448106157.db2.gz PTGOEWZAKOXVIW-QGZVFWFLSA-N 1 2 332.379 1.232 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2ccc(F)cn2)n1 ZINC000491753792 448106161 /nfs/dbraw/zinc/10/61/61/448106161.db2.gz PTGOEWZAKOXVIW-QGZVFWFLSA-N 1 2 332.379 1.232 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O ZINC000491780766 448120609 /nfs/dbraw/zinc/12/06/09/448120609.db2.gz KXDMAGXYKGXJFI-UGSOOPFHSA-N 1 2 329.400 1.763 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O ZINC000491780766 448120614 /nfs/dbraw/zinc/12/06/14/448120614.db2.gz KXDMAGXYKGXJFI-UGSOOPFHSA-N 1 2 329.400 1.763 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cc[nH+]cc1O ZINC000497090504 448191720 /nfs/dbraw/zinc/19/17/20/448191720.db2.gz DISYVOUZGIGFFD-GFCCVEGCSA-N 1 2 334.376 1.735 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000561387097 448237321 /nfs/dbraw/zinc/23/73/21/448237321.db2.gz SDCUIVHQAQBCEG-ZDUSSCGKSA-N 1 2 327.384 1.811 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000561387097 448237325 /nfs/dbraw/zinc/23/73/25/448237325.db2.gz SDCUIVHQAQBCEG-ZDUSSCGKSA-N 1 2 327.384 1.811 20 30 EDEDLO N#Cc1ccc(N2CCC(Nc3nc[nH+]c4c3OCCN4)CC2)nc1 ZINC000591144111 448270655 /nfs/dbraw/zinc/27/06/55/448270655.db2.gz GOMGRMXBYORNSZ-UHFFFAOYSA-N 1 2 337.387 1.628 20 30 EDEDLO N#Cc1ccc(N2CCC(Nc3[nH+]cnc4c3OCCN4)CC2)nc1 ZINC000591144111 448270659 /nfs/dbraw/zinc/27/06/59/448270659.db2.gz GOMGRMXBYORNSZ-UHFFFAOYSA-N 1 2 337.387 1.628 20 30 EDEDLO C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1ncc(Br)cn1 ZINC000563001531 448279608 /nfs/dbraw/zinc/27/96/08/448279608.db2.gz WGDFGTJOGFTKNK-PWSUYJOCSA-N 1 2 342.241 1.096 20 30 EDEDLO C[C@@H](NC[C@H](O)C[N@H+](C)CCC#N)c1ncc(Br)cn1 ZINC000563001531 448279617 /nfs/dbraw/zinc/27/96/17/448279617.db2.gz WGDFGTJOGFTKNK-PWSUYJOCSA-N 1 2 342.241 1.096 20 30 EDEDLO C[C@@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1ncc(Br)cn1 ZINC000563001531 448279624 /nfs/dbraw/zinc/27/96/24/448279624.db2.gz WGDFGTJOGFTKNK-PWSUYJOCSA-N 1 2 342.241 1.096 20 30 EDEDLO N#CCc1ccc(CNC(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000563045673 448283239 /nfs/dbraw/zinc/28/32/39/448283239.db2.gz WNLDTWMXYZGLMC-UHFFFAOYSA-N 1 2 328.416 1.417 20 30 EDEDLO COc1ccccc1N1C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1=O ZINC000563220057 448291622 /nfs/dbraw/zinc/29/16/22/448291622.db2.gz FQYKAJRHBOCUSK-UGSOOPFHSA-N 1 2 344.415 1.008 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000565281724 448362909 /nfs/dbraw/zinc/36/29/09/448362909.db2.gz VCRVSDGPBWCTBU-UHFFFAOYSA-N 1 2 327.432 1.500 20 30 EDEDLO CC1CCC(N2C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC2=O)CC1 ZINC000564556497 448332229 /nfs/dbraw/zinc/33/22/29/448332229.db2.gz BYZIIDBZXOTUHA-PPYGMBNGSA-N 1 2 334.464 1.374 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCc2ccc(C#N)s2)C1 ZINC000591550242 448386572 /nfs/dbraw/zinc/38/65/72/448386572.db2.gz LOZJWOPWCYXJTH-AWEZNQCLSA-N 1 2 348.472 1.872 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCc2ccc(C#N)s2)C1 ZINC000591550242 448386576 /nfs/dbraw/zinc/38/65/76/448386576.db2.gz LOZJWOPWCYXJTH-AWEZNQCLSA-N 1 2 348.472 1.872 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc(N2CCCC2)nc1 ZINC000533255794 448380172 /nfs/dbraw/zinc/38/01/72/448380172.db2.gz HKJOXDIBYVVVMB-UHFFFAOYSA-N 1 2 344.463 1.125 20 30 EDEDLO C=CCn1cc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)nn1 ZINC000591638406 448423558 /nfs/dbraw/zinc/42/35/58/448423558.db2.gz WVKGDFCYAOPLNS-UHFFFAOYSA-N 1 2 331.332 1.433 20 30 EDEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000534314512 448444622 /nfs/dbraw/zinc/44/46/22/448444622.db2.gz JBOXRYWOPQBUJB-SJORKVTESA-N 1 2 348.468 1.698 20 30 EDEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000534314512 448444625 /nfs/dbraw/zinc/44/46/25/448444625.db2.gz JBOXRYWOPQBUJB-SJORKVTESA-N 1 2 348.468 1.698 20 30 EDEDLO CN(CCC#N)C[C@H](O)C[NH2+][C@H](c1nccn1C)c1ccccc1 ZINC000591723956 448472624 /nfs/dbraw/zinc/47/26/24/448472624.db2.gz UXOIMBZCDBESDI-SJORKVTESA-N 1 2 327.432 1.305 20 30 EDEDLO Cn1ccnc1[C@@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1ccccc1 ZINC000591723956 448472629 /nfs/dbraw/zinc/47/26/29/448472629.db2.gz UXOIMBZCDBESDI-SJORKVTESA-N 1 2 327.432 1.305 20 30 EDEDLO Cn1ccnc1[C@@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1ccccc1 ZINC000591723956 448472634 /nfs/dbraw/zinc/47/26/34/448472634.db2.gz UXOIMBZCDBESDI-SJORKVTESA-N 1 2 327.432 1.305 20 30 EDEDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528470520 448541687 /nfs/dbraw/zinc/54/16/87/448541687.db2.gz IBNLNBAZXGUNBB-JKSUJKDBSA-N 1 2 331.416 1.144 20 30 EDEDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000528470520 448541692 /nfs/dbraw/zinc/54/16/92/448541692.db2.gz IBNLNBAZXGUNBB-JKSUJKDBSA-N 1 2 331.416 1.144 20 30 EDEDLO C[C@@H](C#N)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000541018636 448664616 /nfs/dbraw/zinc/66/46/16/448664616.db2.gz GAJYYMRPBSTHFK-UONOGXRCSA-N 1 2 335.477 1.495 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CCC(OC[C@H]2CCCO2)CC1 ZINC000578775959 448635304 /nfs/dbraw/zinc/63/53/04/448635304.db2.gz PXTLVUBTHRQQEH-AJTLQJAISA-N 1 2 337.464 1.701 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146484 448705369 /nfs/dbraw/zinc/70/53/69/448705369.db2.gz IIQKZFHDNBGXPK-BZNIZROVSA-N 1 2 339.342 1.965 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146484 448705374 /nfs/dbraw/zinc/70/53/74/448705374.db2.gz IIQKZFHDNBGXPK-BZNIZROVSA-N 1 2 339.342 1.965 20 30 EDEDLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592147826 448706934 /nfs/dbraw/zinc/70/69/34/448706934.db2.gz SJMNKGAITUZVMO-UGSOOPFHSA-N 1 2 345.399 1.459 20 30 EDEDLO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592147826 448706936 /nfs/dbraw/zinc/70/69/36/448706936.db2.gz SJMNKGAITUZVMO-UGSOOPFHSA-N 1 2 345.399 1.459 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000592152323 448713318 /nfs/dbraw/zinc/71/33/18/448713318.db2.gz XLHIXPBDKKKROZ-HOCLYGCPSA-N 1 2 337.782 1.935 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000592152323 448713320 /nfs/dbraw/zinc/71/33/20/448713320.db2.gz XLHIXPBDKKKROZ-HOCLYGCPSA-N 1 2 337.782 1.935 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1nc(N(C)C)no1 ZINC000573834729 448725880 /nfs/dbraw/zinc/72/58/80/448725880.db2.gz GGJSLJZFFHEOAL-CQSZACIVSA-N 1 2 332.404 1.394 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000585712244 448745586 /nfs/dbraw/zinc/74/55/86/448745586.db2.gz DNKLNSLCLUWCSY-GOSISDBHSA-N 1 2 348.406 1.477 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCc2cccc(C#N)c2)C1 ZINC000585712244 448745593 /nfs/dbraw/zinc/74/55/93/448745593.db2.gz DNKLNSLCLUWCSY-GOSISDBHSA-N 1 2 348.406 1.477 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000585731103 448750781 /nfs/dbraw/zinc/75/07/81/448750781.db2.gz HWESWNZFMVMBQG-STQMWFEESA-N 1 2 325.372 1.137 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)C1=O ZINC000574166430 448807131 /nfs/dbraw/zinc/80/71/31/448807131.db2.gz WZGWAPATUMIIIA-GXTWGEPZSA-N 1 2 334.445 1.076 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)C1=O ZINC000574166430 448807140 /nfs/dbraw/zinc/80/71/40/448807140.db2.gz WZGWAPATUMIIIA-GXTWGEPZSA-N 1 2 334.445 1.076 20 30 EDEDLO COCc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1C#N ZINC000529211783 448791214 /nfs/dbraw/zinc/79/12/14/448791214.db2.gz IFDAEMBURGZUCZ-INIZCTEOSA-N 1 2 331.420 1.072 20 30 EDEDLO COCc1ccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1C#N ZINC000529211783 448791216 /nfs/dbraw/zinc/79/12/16/448791216.db2.gz IFDAEMBURGZUCZ-INIZCTEOSA-N 1 2 331.420 1.072 20 30 EDEDLO COCc1ccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1C#N ZINC000529218469 448793181 /nfs/dbraw/zinc/79/31/81/448793181.db2.gz SIVURPCRPXPPLB-UHFFFAOYSA-N 1 2 346.431 1.937 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@]2(CCCOC2)O1 ZINC000574519037 448892515 /nfs/dbraw/zinc/89/25/15/448892515.db2.gz AZNWIWLOUBUSMF-DYVFJYSZSA-N 1 2 327.388 1.371 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@]2(CCCOC2)O1 ZINC000574519037 448892521 /nfs/dbraw/zinc/89/25/21/448892521.db2.gz AZNWIWLOUBUSMF-DYVFJYSZSA-N 1 2 327.388 1.371 20 30 EDEDLO C[C@H]1C[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H](C)S1 ZINC000588961556 448953753 /nfs/dbraw/zinc/95/37/53/448953753.db2.gz OQORLTCEYQPQGN-RYUDHWBXSA-N 1 2 325.459 1.553 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000581694379 448982604 /nfs/dbraw/zinc/98/26/04/448982604.db2.gz ONGCJINFQVWNDC-GOSISDBHSA-N 1 2 330.432 1.289 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000581694379 448982611 /nfs/dbraw/zinc/98/26/11/448982611.db2.gz ONGCJINFQVWNDC-GOSISDBHSA-N 1 2 330.432 1.289 20 30 EDEDLO N#Cc1ccc(CCNC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000597892390 449135134 /nfs/dbraw/zinc/13/51/34/449135134.db2.gz UNORNZFFWOTXAX-UHFFFAOYSA-N 1 2 349.438 1.434 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@](C)(C3CC3)C2)CC1 ZINC000595627121 449088471 /nfs/dbraw/zinc/08/84/71/449088471.db2.gz VOXHXZNSBXUZJV-HKUYNNGSSA-N 1 2 348.491 1.180 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@](C)(C3CC3)C2)CC1 ZINC000595627121 449088476 /nfs/dbraw/zinc/08/84/76/449088476.db2.gz VOXHXZNSBXUZJV-HKUYNNGSSA-N 1 2 348.491 1.180 20 30 EDEDLO Cc1csc(=O)n1CC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595630967 449090178 /nfs/dbraw/zinc/09/01/78/449090178.db2.gz NBJSUEQHPCQQAE-UHFFFAOYSA-N 1 2 334.470 1.974 20 30 EDEDLO C=CC[N@H+](CC(=O)N(C)c1ccccc1C(=O)OC)[C@H](C)COC ZINC000595644171 449095518 /nfs/dbraw/zinc/09/55/18/449095518.db2.gz AORQHFXSWFTVOS-CQSZACIVSA-N 1 2 334.416 1.959 20 30 EDEDLO C=CC[N@@H+](CC(=O)N(C)c1ccccc1C(=O)OC)[C@H](C)COC ZINC000595644171 449095523 /nfs/dbraw/zinc/09/55/23/449095523.db2.gz AORQHFXSWFTVOS-CQSZACIVSA-N 1 2 334.416 1.959 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCN1S(C)(=O)=O ZINC000595763371 449153897 /nfs/dbraw/zinc/15/38/97/449153897.db2.gz QKCCFADMMRXEJF-CQSZACIVSA-N 1 2 335.473 1.953 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCN1S(C)(=O)=O ZINC000595763371 449153902 /nfs/dbraw/zinc/15/39/02/449153902.db2.gz QKCCFADMMRXEJF-CQSZACIVSA-N 1 2 335.473 1.953 20 30 EDEDLO Cc1nc(C#N)c(N2CCC(C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC2)o1 ZINC000593154763 449153911 /nfs/dbraw/zinc/15/39/11/449153911.db2.gz BMCHSPJAKDWMFE-KRWDZBQOSA-N 1 2 344.419 1.031 20 30 EDEDLO COC(=O)[C@](C)(CCF)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000595774514 449158389 /nfs/dbraw/zinc/15/83/89/449158389.db2.gz NYHMIGOQCFYMQB-AWEZNQCLSA-N 1 2 327.381 1.829 20 30 EDEDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCN(CCC#N)CC1 ZINC000611173587 449199208 /nfs/dbraw/zinc/19/92/08/449199208.db2.gz BNEVHFBTEIYMBT-ZDUSSCGKSA-N 1 2 347.394 1.394 20 30 EDEDLO C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCN(CCC#N)CC1 ZINC000611174923 449201184 /nfs/dbraw/zinc/20/11/84/449201184.db2.gz SZVXYKFSFOSYFU-MRXNPFEDSA-N 1 2 326.444 1.886 20 30 EDEDLO N#CCCN1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000611174417 449201315 /nfs/dbraw/zinc/20/13/15/449201315.db2.gz DOCVQDPSWBQUFM-INIZCTEOSA-N 1 2 332.835 1.977 20 30 EDEDLO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840251 449201364 /nfs/dbraw/zinc/20/13/64/449201364.db2.gz PXWOSJYVUWJFKA-ZRGWGRIASA-N 1 2 343.427 1.909 20 30 EDEDLO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595840251 449201367 /nfs/dbraw/zinc/20/13/67/449201367.db2.gz PXWOSJYVUWJFKA-ZRGWGRIASA-N 1 2 343.427 1.909 20 30 EDEDLO CC(C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000595850583 449206352 /nfs/dbraw/zinc/20/63/52/449206352.db2.gz LVFSXLXYQRRYKV-CYBMUJFWSA-N 1 2 334.445 1.795 20 30 EDEDLO CC(C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000595850583 449206356 /nfs/dbraw/zinc/20/63/56/449206356.db2.gz LVFSXLXYQRRYKV-CYBMUJFWSA-N 1 2 334.445 1.795 20 30 EDEDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000595823410 449186510 /nfs/dbraw/zinc/18/65/10/449186510.db2.gz KSFJBZCBOVPYKI-ZDUSSCGKSA-N 1 2 331.376 1.654 20 30 EDEDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000595823410 449186513 /nfs/dbraw/zinc/18/65/13/449186513.db2.gz KSFJBZCBOVPYKI-ZDUSSCGKSA-N 1 2 331.376 1.654 20 30 EDEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000593846287 449233911 /nfs/dbraw/zinc/23/39/11/449233911.db2.gz SESFNEPOJJXEFE-HNNXBMFYSA-N 1 2 337.387 1.718 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000604558908 449255454 /nfs/dbraw/zinc/25/54/54/449255454.db2.gz KBZAKHKYHWGJLH-MRXNPFEDSA-N 1 2 326.400 1.627 20 30 EDEDLO CC[C@H](C#N)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000593448902 449289099 /nfs/dbraw/zinc/28/90/99/449289099.db2.gz YVMWKNRNNNHPKY-CQSZACIVSA-N 1 2 344.415 1.237 20 30 EDEDLO Cc1nnc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000602033962 449289186 /nfs/dbraw/zinc/28/91/86/449289186.db2.gz PWCNDHOYWGVUNL-UHFFFAOYSA-N 1 2 339.399 1.527 20 30 EDEDLO Cc1cc(NC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)nn1CCC#N ZINC000611481562 449301902 /nfs/dbraw/zinc/30/19/02/449301902.db2.gz PGSAMTDENIWUEZ-CYBMUJFWSA-N 1 2 327.392 1.860 20 30 EDEDLO Cc1onc(CC(=O)NCCNc2ccc3ccccc3[nH+]2)c1C#N ZINC000611528428 449323719 /nfs/dbraw/zinc/32/37/19/449323719.db2.gz NUPIBLZTILBVQU-UHFFFAOYSA-N 1 2 335.367 2.174 20 30 EDEDLO Cc1cn2ccc(C(=O)N3CCN([C@H](C#N)C(C)C)CC3)cc2[nH+]1 ZINC000602087219 449333834 /nfs/dbraw/zinc/33/38/34/449333834.db2.gz BFPJASPRHVUBHV-MRXNPFEDSA-N 1 2 325.416 1.949 20 30 EDEDLO Cc1noc([C@@H](C)[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000594037355 449334354 /nfs/dbraw/zinc/33/43/54/449334354.db2.gz JTRBREWOXSSJGX-IUODEOHRSA-N 1 2 330.388 1.877 20 30 EDEDLO Cc1noc([C@@H](C)[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000594037355 449334356 /nfs/dbraw/zinc/33/43/56/449334356.db2.gz JTRBREWOXSSJGX-IUODEOHRSA-N 1 2 330.388 1.877 20 30 EDEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000611556045 449334509 /nfs/dbraw/zinc/33/45/09/449334509.db2.gz PADYPBPBBISTBP-SFHVURJKSA-N 1 2 345.399 1.933 20 30 EDEDLO COc1ccccc1-c1n[nH]c(NC(=O)[C@@H]([NH3+])CCCCC#N)n1 ZINC000594464494 449533733 /nfs/dbraw/zinc/53/37/33/449533733.db2.gz PEIQCAMISQXURF-LBPRGKRZSA-N 1 2 328.376 1.830 20 30 EDEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000602373395 449548165 /nfs/dbraw/zinc/54/81/65/449548165.db2.gz RUONYRRHJKXHGI-MRXNPFEDSA-N 1 2 348.403 1.623 20 30 EDEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000602373395 449548174 /nfs/dbraw/zinc/54/81/74/449548174.db2.gz RUONYRRHJKXHGI-MRXNPFEDSA-N 1 2 348.403 1.623 20 30 EDEDLO COc1nc(C)cc(C)c1C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000598650147 449520143 /nfs/dbraw/zinc/52/01/43/449520143.db2.gz RLOITQGILSLFMZ-GOSISDBHSA-N 1 2 330.432 1.947 20 30 EDEDLO COc1nc(C)cc(C)c1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000598650147 449520149 /nfs/dbraw/zinc/52/01/49/449520149.db2.gz RLOITQGILSLFMZ-GOSISDBHSA-N 1 2 330.432 1.947 20 30 EDEDLO COc1ccc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC(F)F ZINC000602335935 449522925 /nfs/dbraw/zinc/52/29/25/449522925.db2.gz VVQANNZETJXCPY-INIZCTEOSA-N 1 2 341.358 1.799 20 30 EDEDLO C[C@]1(C#N)CCCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000612099414 449561529 /nfs/dbraw/zinc/56/15/29/449561529.db2.gz WANBGGBJEJJVNJ-GOSISDBHSA-N 1 2 343.431 1.753 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCC[C@@H]3CCO3)CC2)cc1 ZINC000602437219 449586718 /nfs/dbraw/zinc/58/67/18/449586718.db2.gz RXPYQCHHRNQHBP-MRXNPFEDSA-N 1 2 349.456 1.434 20 30 EDEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)[nH]1 ZINC000602438818 449587949 /nfs/dbraw/zinc/58/79/49/449587949.db2.gz BWJVNPYMUOSMMO-UHFFFAOYSA-N 1 2 339.399 1.780 20 30 EDEDLO N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)CC2)c1 ZINC000596705536 449615831 /nfs/dbraw/zinc/61/58/31/449615831.db2.gz MUXSKOXDUNMXMJ-AWEZNQCLSA-N 1 2 336.399 1.130 20 30 EDEDLO N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)CC2)c1 ZINC000596705536 449615835 /nfs/dbraw/zinc/61/58/35/449615835.db2.gz MUXSKOXDUNMXMJ-AWEZNQCLSA-N 1 2 336.399 1.130 20 30 EDEDLO C=CCOc1ccc(CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)cc1 ZINC000614503851 449651346 /nfs/dbraw/zinc/65/13/46/449651346.db2.gz PZPQMSKXHDBEFI-KRWDZBQOSA-N 1 2 329.444 1.300 20 30 EDEDLO C=CCOc1ccc(CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)cc1 ZINC000614503851 449651349 /nfs/dbraw/zinc/65/13/49/449651349.db2.gz PZPQMSKXHDBEFI-KRWDZBQOSA-N 1 2 329.444 1.300 20 30 EDEDLO C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000598934214 449655161 /nfs/dbraw/zinc/65/51/61/449655161.db2.gz OVBUIFKJNVNXMP-HOCLYGCPSA-N 1 2 345.447 1.150 20 30 EDEDLO CC(C)CN1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1=O ZINC000614598831 449703443 /nfs/dbraw/zinc/70/34/43/449703443.db2.gz OFEAIUWIOHFFHR-KRWDZBQOSA-N 1 2 345.443 1.293 20 30 EDEDLO CC(C)CN1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CC1=O ZINC000614598831 449703449 /nfs/dbraw/zinc/70/34/49/449703449.db2.gz OFEAIUWIOHFFHR-KRWDZBQOSA-N 1 2 345.443 1.293 20 30 EDEDLO CC(C)CN1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1=O ZINC000614598832 449703856 /nfs/dbraw/zinc/70/38/56/449703856.db2.gz OFEAIUWIOHFFHR-QGZVFWFLSA-N 1 2 345.443 1.293 20 30 EDEDLO CC(C)CN1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1=O ZINC000614598832 449703861 /nfs/dbraw/zinc/70/38/61/449703861.db2.gz OFEAIUWIOHFFHR-QGZVFWFLSA-N 1 2 345.443 1.293 20 30 EDEDLO N#CCC1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000599048094 449711191 /nfs/dbraw/zinc/71/11/91/449711191.db2.gz GNTJOYJLUWNBAW-MRXNPFEDSA-N 1 2 343.431 1.275 20 30 EDEDLO N#CCC1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000599048094 449711192 /nfs/dbraw/zinc/71/11/92/449711192.db2.gz GNTJOYJLUWNBAW-MRXNPFEDSA-N 1 2 343.431 1.275 20 30 EDEDLO N#Cc1ccc(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000601247017 449773199 /nfs/dbraw/zinc/77/31/99/449773199.db2.gz YGEAXYPBGFNARA-UHFFFAOYSA-N 1 2 336.399 1.740 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@@H]1C[N@H+](C)CCO1 ZINC000601321863 449831047 /nfs/dbraw/zinc/83/10/47/449831047.db2.gz VKGCCOOXHUHZFD-KRWDZBQOSA-N 1 2 349.456 1.207 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601321863 449831056 /nfs/dbraw/zinc/83/10/56/449831056.db2.gz VKGCCOOXHUHZFD-KRWDZBQOSA-N 1 2 349.456 1.207 20 30 EDEDLO C[N@@H+](Cc1nccn1C(F)F)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599265595 449842721 /nfs/dbraw/zinc/84/27/21/449842721.db2.gz FWASWLPXFMGQRW-GFCCVEGCSA-N 1 2 328.363 1.781 20 30 EDEDLO C[N@H+](Cc1nccn1C(F)F)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599265595 449842725 /nfs/dbraw/zinc/84/27/25/449842725.db2.gz FWASWLPXFMGQRW-GFCCVEGCSA-N 1 2 328.363 1.781 20 30 EDEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000614925259 449880544 /nfs/dbraw/zinc/88/05/44/449880544.db2.gz XQYLRCOYDBLWBJ-UONOGXRCSA-N 1 2 333.354 1.838 20 30 EDEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000614925259 449880549 /nfs/dbraw/zinc/88/05/49/449880549.db2.gz XQYLRCOYDBLWBJ-UONOGXRCSA-N 1 2 333.354 1.838 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602884130 449890968 /nfs/dbraw/zinc/89/09/68/449890968.db2.gz BTMWRKAPWMPLMG-KDOFPFPSSA-N 1 2 329.448 1.952 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602884130 449890972 /nfs/dbraw/zinc/89/09/72/449890972.db2.gz BTMWRKAPWMPLMG-KDOFPFPSSA-N 1 2 329.448 1.952 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000601425087 449944611 /nfs/dbraw/zinc/94/46/11/449944611.db2.gz TXLJCVUANXMRGR-KRWDZBQOSA-N 1 2 349.456 1.185 20 30 EDEDLO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000602898091 449906734 /nfs/dbraw/zinc/90/67/34/449906734.db2.gz LAYMQKZSMKCVFG-UONOGXRCSA-N 1 2 325.206 1.638 20 30 EDEDLO C[C@]1(CO)C[C@H](O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000602898091 449906740 /nfs/dbraw/zinc/90/67/40/449906740.db2.gz LAYMQKZSMKCVFG-UONOGXRCSA-N 1 2 325.206 1.638 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000603006800 450003358 /nfs/dbraw/zinc/00/33/58/450003358.db2.gz LZOTVSULNBNZPV-OAHLLOKOSA-N 1 2 330.432 1.270 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000603006800 450003364 /nfs/dbraw/zinc/00/33/64/450003364.db2.gz LZOTVSULNBNZPV-OAHLLOKOSA-N 1 2 330.432 1.270 20 30 EDEDLO N#CCN1CCC(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000609338308 450013176 /nfs/dbraw/zinc/01/31/76/450013176.db2.gz YQCXJVRLLYDFKX-UHFFFAOYSA-N 1 2 342.447 1.469 20 30 EDEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(C#N)cn2)CC1 ZINC000609342707 450017394 /nfs/dbraw/zinc/01/73/94/450017394.db2.gz RLIOEWKCMYMMGD-UHFFFAOYSA-N 1 2 349.394 1.593 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3cc(F)cc(C#N)c3)CC2)cn1 ZINC000603078224 450054367 /nfs/dbraw/zinc/05/43/67/450054367.db2.gz LEJVLJZNMPQHTL-UHFFFAOYSA-N 1 2 342.378 1.781 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599580086 450080854 /nfs/dbraw/zinc/08/08/54/450080854.db2.gz GOCMZJFMTMZSJF-ZBFHGGJFSA-N 1 2 330.384 1.793 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599580086 450080858 /nfs/dbraw/zinc/08/08/58/450080858.db2.gz GOCMZJFMTMZSJF-ZBFHGGJFSA-N 1 2 330.384 1.793 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000609767165 450095046 /nfs/dbraw/zinc/09/50/46/450095046.db2.gz BVAQCQMUMZCKMK-GOSISDBHSA-N 1 2 339.443 1.562 20 30 EDEDLO N#CC[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000595440278 450143643 /nfs/dbraw/zinc/14/36/43/450143643.db2.gz OUCWVSBUFKLHDR-OAHLLOKOSA-N 1 2 343.431 1.753 20 30 EDEDLO N#Cc1ccccc1OCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000603212109 450146423 /nfs/dbraw/zinc/14/64/23/450146423.db2.gz ULFWQPUTIFUJIJ-UHFFFAOYSA-N 1 2 329.429 1.778 20 30 EDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000595486658 450178030 /nfs/dbraw/zinc/17/80/30/450178030.db2.gz BQYVWUCWMGLOCB-UHFFFAOYSA-N 1 2 339.403 1.487 20 30 EDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000595486658 450178037 /nfs/dbraw/zinc/17/80/37/450178037.db2.gz BQYVWUCWMGLOCB-UHFFFAOYSA-N 1 2 339.403 1.487 20 30 EDEDLO COC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000599665919 450138149 /nfs/dbraw/zinc/13/81/49/450138149.db2.gz KBGSDQQQEPAEEZ-BBRMVZONSA-N 1 2 341.411 1.710 20 30 EDEDLO COC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)Cc2ccccc21 ZINC000599665919 450138155 /nfs/dbraw/zinc/13/81/55/450138155.db2.gz KBGSDQQQEPAEEZ-BBRMVZONSA-N 1 2 341.411 1.710 20 30 EDEDLO CC(=O)N1CC[NH+](CCNc2cccc(-n3cccc3)c2C#N)CC1 ZINC000603274814 450200816 /nfs/dbraw/zinc/20/08/16/450200816.db2.gz JDSBRNADLIQYSW-UHFFFAOYSA-N 1 2 337.427 1.925 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)Nc1cc(C#N)c(Br)cn1 ZINC000603284492 450209704 /nfs/dbraw/zinc/20/97/04/450209704.db2.gz RJOSKQRXCLEIFL-SNVBAGLBSA-N 1 2 325.210 1.848 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000595545991 450222248 /nfs/dbraw/zinc/22/22/48/450222248.db2.gz CMHFFXOJJAMCGJ-BWBHSNQOSA-N 1 2 335.408 1.526 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000595545991 450222252 /nfs/dbraw/zinc/22/22/52/450222252.db2.gz CMHFFXOJJAMCGJ-BWBHSNQOSA-N 1 2 335.408 1.526 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000601769390 450228680 /nfs/dbraw/zinc/22/86/80/450228680.db2.gz MSJVTAUXHLAEJT-INIZCTEOSA-N 1 2 337.851 1.293 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000601769390 450228687 /nfs/dbraw/zinc/22/86/87/450228687.db2.gz MSJVTAUXHLAEJT-INIZCTEOSA-N 1 2 337.851 1.293 20 30 EDEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)CCn1cc[nH+]c1 ZINC000603356705 450260787 /nfs/dbraw/zinc/26/07/87/450260787.db2.gz CGBSGGXTAQBXDU-INIZCTEOSA-N 1 2 330.413 1.752 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CC(C3CCOCC3)C2)cc1 ZINC000619706049 450312193 /nfs/dbraw/zinc/31/21/93/450312193.db2.gz PANYDXYMODGOGX-UHFFFAOYSA-N 1 2 334.441 1.690 20 30 EDEDLO C[C@H]1CCN(C(=O)NC2CCN(CC#N)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000610732306 450315116 /nfs/dbraw/zinc/31/51/16/450315116.db2.gz VWXYGTHOWOFZMY-HOCLYGCPSA-N 1 2 330.436 1.464 20 30 EDEDLO COC(=O)[C@H](COC(C)C)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000610848495 450354708 /nfs/dbraw/zinc/35/47/08/450354708.db2.gz BHHDSNJQIHSWLY-INIZCTEOSA-N 1 2 347.415 1.785 20 30 EDEDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000610848495 450354715 /nfs/dbraw/zinc/35/47/15/450354715.db2.gz BHHDSNJQIHSWLY-INIZCTEOSA-N 1 2 347.415 1.785 20 30 EDEDLO C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000613935499 450364922 /nfs/dbraw/zinc/36/49/22/450364922.db2.gz AOIREUHBIYSSFS-MFKMUULPSA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000613935499 450364929 /nfs/dbraw/zinc/36/49/29/450364929.db2.gz AOIREUHBIYSSFS-MFKMUULPSA-N 1 2 343.836 1.209 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000623990439 450661493 /nfs/dbraw/zinc/66/14/93/450661493.db2.gz CWKNYHOEEKZIFK-DLBZAZTESA-N 1 2 332.448 1.936 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000623990439 450661498 /nfs/dbraw/zinc/66/14/98/450661498.db2.gz CWKNYHOEEKZIFK-DLBZAZTESA-N 1 2 332.448 1.936 20 30 EDEDLO C=CCOCCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633159484 450717905 /nfs/dbraw/zinc/71/79/05/450717905.db2.gz LAEYBKYHWBJFSN-UHFFFAOYSA-N 1 2 336.461 1.637 20 30 EDEDLO C=CC[C@@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000626416218 450730159 /nfs/dbraw/zinc/73/01/59/450730159.db2.gz OACWWEHKJYEEFL-OAHLLOKOSA-N 1 2 333.436 1.645 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2ccc(C)cc2C)nn1 ZINC000641206997 451781882 /nfs/dbraw/zinc/78/18/82/451781882.db2.gz GGJQNQMQZRWTOE-KRWDZBQOSA-N 1 2 328.416 1.448 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000644844057 452024857 /nfs/dbraw/zinc/02/48/57/452024857.db2.gz IGQAYTJMQKZKLO-OAGGEKHMSA-N 1 2 346.431 1.144 20 30 EDEDLO C=CCn1cc(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)nn1 ZINC000648766692 453244310 /nfs/dbraw/zinc/24/43/10/453244310.db2.gz HIUKMOXQVGYPAX-UHFFFAOYSA-N 1 2 341.415 1.431 20 30 EDEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000651117582 453289439 /nfs/dbraw/zinc/28/94/39/453289439.db2.gz MRNLEBDOEOVHJB-UHFFFAOYSA-N 1 2 327.469 1.579 20 30 EDEDLO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C)o3)C2)nn1 ZINC000648833604 453314633 /nfs/dbraw/zinc/31/46/33/453314633.db2.gz RUWKADVFRKTVMX-ZDUSSCGKSA-N 1 2 330.392 1.107 20 30 EDEDLO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C)o3)C2)nn1 ZINC000648833604 453314642 /nfs/dbraw/zinc/31/46/42/453314642.db2.gz RUWKADVFRKTVMX-ZDUSSCGKSA-N 1 2 330.392 1.107 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660846918 453604171 /nfs/dbraw/zinc/60/41/71/453604171.db2.gz OJRTVEKXIPUMJE-LLVKDONJSA-N 1 2 336.417 1.872 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660846918 453604173 /nfs/dbraw/zinc/60/41/73/453604173.db2.gz OJRTVEKXIPUMJE-LLVKDONJSA-N 1 2 336.417 1.872 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)nn1 ZINC000657334733 453768033 /nfs/dbraw/zinc/76/80/33/453768033.db2.gz FVOFVTVIPPTZIN-KRWDZBQOSA-N 1 2 325.416 1.745 20 30 EDEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661377733 453803230 /nfs/dbraw/zinc/80/32/30/453803230.db2.gz SLOYJFVFOLWZPI-CABCVRRESA-N 1 2 328.478 1.310 20 30 EDEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661377733 453803233 /nfs/dbraw/zinc/80/32/33/453803233.db2.gz SLOYJFVFOLWZPI-CABCVRRESA-N 1 2 328.478 1.310 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(C3CCC3)cnn2C)CC1 ZINC000667492086 486808128 /nfs/dbraw/zinc/80/81/28/486808128.db2.gz VDWVRMUOXACOGD-UHFFFAOYSA-N 1 2 331.464 1.107 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2c(C3CCC3)cnn2C)CC1 ZINC000667492086 486808132 /nfs/dbraw/zinc/80/81/32/486808132.db2.gz VDWVRMUOXACOGD-UHFFFAOYSA-N 1 2 331.464 1.107 20 30 EDEDLO Cc1cc(NCCOc2ccc(S(C)(=O)=O)cc2)c(C#N)c[nH+]1 ZINC000425229668 486881331 /nfs/dbraw/zinc/88/13/31/486881331.db2.gz RUPFHYFVKRJHDM-UHFFFAOYSA-N 1 2 331.397 1.578 20 30 EDEDLO C=CCOCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000679479660 487430434 /nfs/dbraw/zinc/43/04/34/487430434.db2.gz KNOAEFVWWCHGCE-QGZVFWFLSA-N 1 2 333.432 1.562 20 30 EDEDLO CCC#C[C@@H](C)[NH+]1CCN(S(=O)(=O)N(CCC)CCC)CC1 ZINC000683100607 487449278 /nfs/dbraw/zinc/44/92/78/487449278.db2.gz USRBGJCCUUEGNJ-MRXNPFEDSA-N 1 2 329.510 1.773 20 30 EDEDLO C=CCn1c(Nc2c(C)nn(C)c2C)nnc1[C@@H]1C[N@@H+](C)C[C@H](C)O1 ZINC000669010771 485548345 /nfs/dbraw/zinc/54/83/45/485548345.db2.gz DJQCRZZTNVNVSB-FZMZJTMJSA-N 1 2 345.451 1.950 20 30 EDEDLO C=CCn1c(Nc2c(C)nn(C)c2C)nnc1[C@@H]1C[N@H+](C)C[C@H](C)O1 ZINC000669010771 485548355 /nfs/dbraw/zinc/54/83/55/485548355.db2.gz DJQCRZZTNVNVSB-FZMZJTMJSA-N 1 2 345.451 1.950 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000668106442 486163624 /nfs/dbraw/zinc/16/36/24/486163624.db2.gz BPFWJJPUWRPVMH-NSHDSACASA-N 1 2 332.326 1.533 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(CCOc2cccc(OC)c2)CC1 ZINC000164546994 526624239 /nfs/dbraw/zinc/62/42/39/526624239.db2.gz RLBYPBRCCVNMTK-MRXNPFEDSA-N 1 2 347.459 1.382 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000074158310 526633948 /nfs/dbraw/zinc/63/39/48/526633948.db2.gz JSTSXZSROBCODD-LBPRGKRZSA-N 1 2 331.445 1.504 20 30 EDEDLO CC(C)(CNC(=O)COc1cccc(F)c1C#N)[NH+]1CCOCC1 ZINC000131952852 527108571 /nfs/dbraw/zinc/10/85/71/527108571.db2.gz GSHBLSVBZSXARN-UHFFFAOYSA-N 1 2 335.379 1.303 20 30 EDEDLO C=CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000074226405 527541436 /nfs/dbraw/zinc/54/14/36/527541436.db2.gz JOQHIFRYDRYUQH-CABCVRRESA-N 1 2 328.478 1.453 20 30 EDEDLO N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000742399526 579451029 /nfs/dbraw/zinc/45/10/29/579451029.db2.gz MDVDDWFUAJYAQZ-UHFFFAOYSA-N 1 2 331.401 1.244 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCOC3CCC3)CC2)cc1 ZINC000743695327 579488997 /nfs/dbraw/zinc/48/89/97/579488997.db2.gz ZYAFCYGDHRBWRC-UHFFFAOYSA-N 1 2 342.443 1.955 20 30 EDEDLO Cc1nc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)oc1C ZINC000725792810 578282140 /nfs/dbraw/zinc/28/21/40/578282140.db2.gz QRCCPSQNTMLJID-UHFFFAOYSA-N 1 2 344.415 1.961 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)c1C#N ZINC000788274926 578330395 /nfs/dbraw/zinc/33/03/95/578330395.db2.gz JVKBLGFUGOKFPB-LLVKDONJSA-N 1 2 328.247 1.916 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000726258316 578339777 /nfs/dbraw/zinc/33/97/77/578339777.db2.gz RLBGMGPVBXWKDV-CQSZACIVSA-N 1 2 346.431 1.445 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000726258316 578339778 /nfs/dbraw/zinc/33/97/78/578339778.db2.gz RLBGMGPVBXWKDV-CQSZACIVSA-N 1 2 346.431 1.445 20 30 EDEDLO CCn1c(C)cc(C=NNC(=S)NCC[NH+]2CCOCC2)c1C ZINC000728225594 578545011 /nfs/dbraw/zinc/54/50/11/578545011.db2.gz VNHBSDKWWKUCTM-UHFFFAOYSA-N 1 2 337.493 1.255 20 30 EDEDLO N#Cc1ccc(NCCNC(=O)N2CCC(n3cc[nH+]c3)CC2)nc1 ZINC000728743960 578551329 /nfs/dbraw/zinc/55/13/29/578551329.db2.gz IMBRINUURZZORA-UHFFFAOYSA-N 1 2 339.403 1.608 20 30 EDEDLO CC1(c2ccccc2)CC(=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000729633688 578585685 /nfs/dbraw/zinc/58/56/85/578585685.db2.gz QEYUBNVQGYVMOV-UHFFFAOYSA-N 1 2 346.500 1.890 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)nc1 ZINC000729922021 578600239 /nfs/dbraw/zinc/60/02/39/578600239.db2.gz KXSCJYDAOPGXPQ-IBGZPJMESA-N 1 2 335.407 1.554 20 30 EDEDLO C[C@@H](C(=O)OCC(=O)NCC#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732396205 578709421 /nfs/dbraw/zinc/70/94/21/578709421.db2.gz ADSXLELNGIDZHO-HNNXBMFYSA-N 1 2 343.427 1.513 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000733161353 578746248 /nfs/dbraw/zinc/74/62/48/578746248.db2.gz NUZJPBHQWFJYIC-OAHLLOKOSA-N 1 2 335.448 1.553 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1 ZINC000741680819 578751112 /nfs/dbraw/zinc/75/11/12/578751112.db2.gz JYODNFAUNMHXTC-UHFFFAOYSA-N 1 2 343.402 1.734 20 30 EDEDLO CCC(CC)N=Nc1ncccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000734749956 578835474 /nfs/dbraw/zinc/83/54/74/578835474.db2.gz GPEDPIOWQYKECH-UHFFFAOYSA-N 1 2 339.465 1.606 20 30 EDEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(C#N)cc1 ZINC000736128709 578953984 /nfs/dbraw/zinc/95/39/84/578953984.db2.gz ZTMLPIRYTGURPY-MEDUHNTESA-N 1 2 347.382 1.616 20 30 EDEDLO CN1CC[C@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1=O ZINC000738331377 579187003 /nfs/dbraw/zinc/18/70/03/579187003.db2.gz JZSBZUGCVAMMLF-BBRMVZONSA-N 1 2 349.394 1.386 20 30 EDEDLO CN1CC[C@H]([N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1=O ZINC000738331377 579187004 /nfs/dbraw/zinc/18/70/04/579187004.db2.gz JZSBZUGCVAMMLF-BBRMVZONSA-N 1 2 349.394 1.386 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCNC(=O)CC1 ZINC000744206648 579503469 /nfs/dbraw/zinc/50/34/69/579503469.db2.gz SKPRVHPHNOJHGP-CYBMUJFWSA-N 1 2 335.367 1.046 20 30 EDEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCNC(=O)CC1 ZINC000744206648 579503470 /nfs/dbraw/zinc/50/34/70/579503470.db2.gz SKPRVHPHNOJHGP-CYBMUJFWSA-N 1 2 335.367 1.046 20 30 EDEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@H](CC(=O)OC)C2)c1O ZINC000754740492 579910611 /nfs/dbraw/zinc/91/06/11/579910611.db2.gz UBMHQKAUIPVOKX-MRXNPFEDSA-N 1 2 335.400 1.893 20 30 EDEDLO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@H](CC(=O)OC)C2)c1O ZINC000754740492 579910612 /nfs/dbraw/zinc/91/06/12/579910612.db2.gz UBMHQKAUIPVOKX-MRXNPFEDSA-N 1 2 335.400 1.893 20 30 EDEDLO C(=NNc1ccc(-n2cc[nH+]c2)nn1)c1cnc(C2OCCO2)s1 ZINC000761838075 580062481 /nfs/dbraw/zinc/06/24/81/580062481.db2.gz ZXDORNGODKOBIC-UHFFFAOYSA-N 1 2 343.372 1.610 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767568726 580193126 /nfs/dbraw/zinc/19/31/26/580193126.db2.gz ZCLXHPQYGDXMQS-GASCZTMLSA-N 1 2 329.352 1.173 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767568726 580193127 /nfs/dbraw/zinc/19/31/27/580193127.db2.gz ZCLXHPQYGDXMQS-GASCZTMLSA-N 1 2 329.352 1.173 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000771143550 580280841 /nfs/dbraw/zinc/28/08/41/580280841.db2.gz DBKVAJICDKDMIJ-HSZRJFAPSA-N 1 2 328.441 1.607 20 30 EDEDLO N#Cc1ccc(CCC=NNC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000774319228 580359577 /nfs/dbraw/zinc/35/95/77/580359577.db2.gz DSYSLGWYTFGUBD-UHFFFAOYSA-N 1 2 345.472 1.273 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000775789063 580400525 /nfs/dbraw/zinc/40/05/25/580400525.db2.gz BGKIZGCDPWSZHU-UONOGXRCSA-N 1 2 328.328 1.915 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000780655258 580530358 /nfs/dbraw/zinc/53/03/58/580530358.db2.gz SETPPTGKYCRRCK-UHFFFAOYSA-N 1 2 336.399 1.376 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000782055251 580565123 /nfs/dbraw/zinc/56/51/23/580565123.db2.gz PGLHUQXTENWUAL-ZBFHGGJFSA-N 1 2 349.456 1.031 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000782055251 580565124 /nfs/dbraw/zinc/56/51/24/580565124.db2.gz PGLHUQXTENWUAL-ZBFHGGJFSA-N 1 2 349.456 1.031 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cnn(-c2cc(C)cc(C)c2)n1 ZINC000782969216 580589642 /nfs/dbraw/zinc/58/96/42/580589642.db2.gz ZRVGQONPGQVALQ-UHFFFAOYSA-N 1 2 334.445 1.575 20 30 EDEDLO C#CCOCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000784401666 580620382 /nfs/dbraw/zinc/62/03/82/580620382.db2.gz PGBOSZHSNAZSEV-JKSUJKDBSA-N 1 2 337.370 1.659 20 30 EDEDLO C#CCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000784401666 580620383 /nfs/dbraw/zinc/62/03/83/580620383.db2.gz PGBOSZHSNAZSEV-JKSUJKDBSA-N 1 2 337.370 1.659 20 30 EDEDLO C#CCOc1ccc(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000784616811 580625135 /nfs/dbraw/zinc/62/51/35/580625135.db2.gz HFQBYFKIPIDSJI-UHFFFAOYSA-N 1 2 334.335 1.924 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000786172575 580663464 /nfs/dbraw/zinc/66/34/64/580663464.db2.gz FRXPNMFGECWLMO-LSDHHAIUSA-N 1 2 335.448 1.409 20 30 EDEDLO C[C@H]1C(=O)NCCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000788276264 580715662 /nfs/dbraw/zinc/71/56/62/580715662.db2.gz VELHGKVMYNWKCQ-GXTWGEPZSA-N 1 2 349.394 1.434 20 30 EDEDLO C[C@H]1C(=O)NCCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000788276264 580715663 /nfs/dbraw/zinc/71/56/63/580715663.db2.gz VELHGKVMYNWKCQ-GXTWGEPZSA-N 1 2 349.394 1.434 20 30 EDEDLO C[C@@H](C#N)OCC[N@@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000792896649 580830520 /nfs/dbraw/zinc/83/05/20/580830520.db2.gz SHWAXQMGAJTLNG-ZDUSSCGKSA-N 1 2 337.445 1.224 20 30 EDEDLO C[C@@H](C#N)OCC[N@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000792896649 580830521 /nfs/dbraw/zinc/83/05/21/580830521.db2.gz SHWAXQMGAJTLNG-ZDUSSCGKSA-N 1 2 337.445 1.224 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@H](CCC(N)=O)C3)c1=O)CCCC2 ZINC000793490657 580845582 /nfs/dbraw/zinc/84/55/82/580845582.db2.gz MDUPBDAEXCOMMQ-CQSZACIVSA-N 1 2 342.443 1.534 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@H](CCC(N)=O)C3)c1=O)CCCC2 ZINC000793490657 580845583 /nfs/dbraw/zinc/84/55/83/580845583.db2.gz MDUPBDAEXCOMMQ-CQSZACIVSA-N 1 2 342.443 1.534 20 30 EDEDLO C=CCN(C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)C(C)C ZINC000793867742 580858520 /nfs/dbraw/zinc/85/85/20/580858520.db2.gz RDDUFFFRWFBCAR-UHFFFAOYSA-N 1 2 335.473 1.645 20 30 EDEDLO C=CCN(C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)C(C)C ZINC000793867742 580858521 /nfs/dbraw/zinc/85/85/21/580858521.db2.gz RDDUFFFRWFBCAR-UHFFFAOYSA-N 1 2 335.473 1.645 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cn(CC)nc2C(F)(F)F)CC1 ZINC000797847781 580982237 /nfs/dbraw/zinc/98/22/37/580982237.db2.gz AWQAJIUAZXYRSK-UHFFFAOYSA-N 1 2 328.338 1.703 20 30 EDEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H](C)n1cnc(C#N)n1 ZINC000798740982 581006231 /nfs/dbraw/zinc/00/62/31/581006231.db2.gz GLLINUTVLUFCEO-ZDUSSCGKSA-N 1 2 336.355 1.948 20 30 EDEDLO C[C@@H]1C[N@H+](CCOC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCO1 ZINC000800185676 581046787 /nfs/dbraw/zinc/04/67/87/581046787.db2.gz LFWGAXUPLFMJCV-CQSZACIVSA-N 1 2 332.400 1.980 20 30 EDEDLO C[C@@H]1C[N@@H+](CCOC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCO1 ZINC000800185676 581046788 /nfs/dbraw/zinc/04/67/88/581046788.db2.gz LFWGAXUPLFMJCV-CQSZACIVSA-N 1 2 332.400 1.980 20 30 EDEDLO CC[N@H+](CCOCCO)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000800430746 581052727 /nfs/dbraw/zinc/05/27/27/581052727.db2.gz SDLHNYYNDANFPK-ZDUSSCGKSA-N 1 2 347.440 1.803 20 30 EDEDLO CC[N@@H+](CCOCCO)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000800430746 581052728 /nfs/dbraw/zinc/05/27/28/581052728.db2.gz SDLHNYYNDANFPK-ZDUSSCGKSA-N 1 2 347.440 1.803 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)cn1 ZINC000801286036 581071305 /nfs/dbraw/zinc/07/13/05/581071305.db2.gz JRKBIJIBAMAXGW-AWEZNQCLSA-N 1 2 336.399 1.061 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000801912112 581087749 /nfs/dbraw/zinc/08/77/49/581087749.db2.gz HQDTYOQWTDAGDZ-BRWVUGGUSA-N 1 2 336.480 1.037 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000801930291 581088349 /nfs/dbraw/zinc/08/83/49/581088349.db2.gz LKCPTQGSGBINCV-HNNXBMFYSA-N 1 2 341.415 1.783 20 30 EDEDLO C#CC[N@@H+](Cc1ccc([Si](C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000801931878 581088418 /nfs/dbraw/zinc/08/84/18/581088418.db2.gz CRWLZCROXIOZTD-INIZCTEOSA-N 1 2 335.545 1.854 20 30 EDEDLO C#CC[N@H+](Cc1ccc([Si](C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000801931878 581088419 /nfs/dbraw/zinc/08/84/19/581088419.db2.gz CRWLZCROXIOZTD-INIZCTEOSA-N 1 2 335.545 1.854 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2OCC)C1 ZINC000891608104 591146227 /nfs/dbraw/zinc/14/62/27/591146227.db2.gz XHCITVYDTCQPCR-AWEZNQCLSA-N 1 2 329.400 1.238 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2OCC)C1 ZINC000891608104 591146229 /nfs/dbraw/zinc/14/62/29/591146229.db2.gz XHCITVYDTCQPCR-AWEZNQCLSA-N 1 2 329.400 1.238 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(SC)cc2)C1 ZINC000891608544 591148664 /nfs/dbraw/zinc/14/86/64/591148664.db2.gz ZHEVIOYQGHQQCQ-AWEZNQCLSA-N 1 2 331.441 1.561 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(SC)cc2)C1 ZINC000891608544 591148667 /nfs/dbraw/zinc/14/86/67/591148667.db2.gz ZHEVIOYQGHQQCQ-AWEZNQCLSA-N 1 2 331.441 1.561 20 30 EDEDLO C#CCNC(=O)C[N@@H+](CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000016390596 591252346 /nfs/dbraw/zinc/25/23/46/591252346.db2.gz SROKLRZKMUKQJP-UHFFFAOYSA-N 1 2 341.333 1.504 20 30 EDEDLO C#CCNC(=O)C[N@H+](CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000016390596 591252348 /nfs/dbraw/zinc/25/23/48/591252348.db2.gz SROKLRZKMUKQJP-UHFFFAOYSA-N 1 2 341.333 1.504 20 30 EDEDLO C#C[C@@H](NC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1)[C@H]1CCCO1 ZINC000894277899 591262431 /nfs/dbraw/zinc/26/24/31/591262431.db2.gz ARDLDTYEZRNFCI-BRWVUGGUSA-N 1 2 340.427 1.756 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)C1CSC1 ZINC000895814295 591279601 /nfs/dbraw/zinc/27/96/01/591279601.db2.gz PURITLODVLRVNJ-UHFFFAOYSA-N 1 2 330.862 1.538 20 30 EDEDLO C#CC[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)C1CSC1 ZINC000895814295 591279603 /nfs/dbraw/zinc/27/96/03/591279603.db2.gz PURITLODVLRVNJ-UHFFFAOYSA-N 1 2 330.862 1.538 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2cc(Cl)ccc2C#N)C1 ZINC000866963404 591404688 /nfs/dbraw/zinc/40/46/88/591404688.db2.gz DNQQOCNTXUUBQK-GFCCVEGCSA-N 1 2 330.793 1.251 20 30 EDEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2cc(Cl)ccc2C#N)C1 ZINC000866963404 591404692 /nfs/dbraw/zinc/40/46/92/591404692.db2.gz DNQQOCNTXUUBQK-GFCCVEGCSA-N 1 2 330.793 1.251 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896532528 591496385 /nfs/dbraw/zinc/49/63/85/591496385.db2.gz LSZPGQVLHGBCNA-IIDMSEBBSA-N 1 2 328.460 1.487 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896532528 591496386 /nfs/dbraw/zinc/49/63/86/591496386.db2.gz LSZPGQVLHGBCNA-IIDMSEBBSA-N 1 2 328.460 1.487 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/C=C(Cl)Cl ZINC000896625331 591552807 /nfs/dbraw/zinc/55/28/07/591552807.db2.gz ZNSKRUXVYSKPBF-DAFODLJHSA-N 1 2 332.231 1.936 20 30 EDEDLO C=CCc1cc(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc(OC)c1O ZINC000897619564 591590632 /nfs/dbraw/zinc/59/06/32/591590632.db2.gz ZCZDYMUNVGERMO-GASCZTMLSA-N 1 2 337.441 1.606 20 30 EDEDLO C=CCc1cc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc(OC)c1O ZINC000897619564 591590634 /nfs/dbraw/zinc/59/06/34/591590634.db2.gz ZCZDYMUNVGERMO-GASCZTMLSA-N 1 2 337.441 1.606 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(N(C)C)n2nc(C)cc2n1 ZINC000899070516 591662497 /nfs/dbraw/zinc/66/24/97/591662497.db2.gz VUPREVXUIGRICK-ZDUSSCGKSA-N 1 2 326.404 1.140 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(N(C)C)n2nc(C)cc2n1 ZINC000899070516 591662501 /nfs/dbraw/zinc/66/25/01/591662501.db2.gz VUPREVXUIGRICK-ZDUSSCGKSA-N 1 2 326.404 1.140 20 30 EDEDLO N#Cc1csc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000897279185 591810246 /nfs/dbraw/zinc/81/02/46/591810246.db2.gz IMOZLPVQLOBNOS-UHFFFAOYSA-N 1 2 342.428 1.437 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c[nH+]1 ZINC000898269174 591847334 /nfs/dbraw/zinc/84/73/34/591847334.db2.gz SSGUHERQUGXINU-MRXNPFEDSA-N 1 2 326.400 1.990 20 30 EDEDLO NC(=NOCCc1ccns1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902224981 591949046 /nfs/dbraw/zinc/94/90/46/591949046.db2.gz COABELDUNLEGLM-UHFFFAOYSA-N 1 2 346.456 1.855 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cn2cc(OC)c(=O)cc2C)n1 ZINC000902244474 591958130 /nfs/dbraw/zinc/95/81/30/591958130.db2.gz XMWMWGKCVTWCKG-UHFFFAOYSA-N 1 2 344.415 1.101 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cn2cc(OC)c(=O)cc2C)n1 ZINC000902244474 591958132 /nfs/dbraw/zinc/95/81/32/591958132.db2.gz XMWMWGKCVTWCKG-UHFFFAOYSA-N 1 2 344.415 1.101 20 30 EDEDLO N#CCc1cccc2c1CC[N@@H+](CN1C[C@]3(CCCOC3)C1=O)C2 ZINC000902347796 591978131 /nfs/dbraw/zinc/97/81/31/591978131.db2.gz VSMIHZXRZFGPDC-IBGZPJMESA-N 1 2 325.412 1.707 20 30 EDEDLO N#CCc1cccc2c1CC[N@H+](CN1C[C@]3(CCCOC3)C1=O)C2 ZINC000902347796 591978133 /nfs/dbraw/zinc/97/81/33/591978133.db2.gz VSMIHZXRZFGPDC-IBGZPJMESA-N 1 2 325.412 1.707 20 30 EDEDLO CC(C)[C@@]1(C)CC(=O)N(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000902599621 592022288 /nfs/dbraw/zinc/02/22/88/592022288.db2.gz HYQCBOWFVKWNSQ-QGZVFWFLSA-N 1 2 334.416 1.703 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)C(F)(F)c2ccccc2C#N)CCO1 ZINC000900482523 592030636 /nfs/dbraw/zinc/03/06/36/592030636.db2.gz FSEXFHZFPWKIBX-UHFFFAOYSA-N 1 2 337.370 1.877 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)C(F)(F)c2ccccc2C#N)CCO1 ZINC000900482523 592030637 /nfs/dbraw/zinc/03/06/37/592030637.db2.gz FSEXFHZFPWKIBX-UHFFFAOYSA-N 1 2 337.370 1.877 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NCc3nccn3C)cc2)CC1 ZINC000900689746 592095892 /nfs/dbraw/zinc/09/58/92/592095892.db2.gz KUZPDWGZIUNGTG-UHFFFAOYSA-N 1 2 337.427 1.423 20 30 EDEDLO N#CCCn1ccc(NC(=O)c2cccn2CC[NH+]2CCOCC2)n1 ZINC000906730396 592296962 /nfs/dbraw/zinc/29/69/62/592296962.db2.gz JKJFGGOMFKHBLC-UHFFFAOYSA-N 1 2 342.403 1.183 20 30 EDEDLO Cn1ncc(/C=C/C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)n1 ZINC000901439742 592364646 /nfs/dbraw/zinc/36/46/46/592364646.db2.gz VAPIXERDWUIDEA-HWKANZROSA-N 1 2 328.372 1.249 20 30 EDEDLO C[C@@H]1CN(C(=O)[C@@]2(C#N)CC3CCC2CC3)C[C@H]1[NH+]1CCOCC1 ZINC000906845663 592368494 /nfs/dbraw/zinc/36/84/94/592368494.db2.gz XUHUVFRZHMGPSU-KZZPEHCYSA-N 1 2 331.460 1.886 20 30 EDEDLO COC(=O)Cn1cc(C(=O)/C=C/c2[nH+]ccn2CC(F)(F)F)nn1 ZINC000905083262 592389233 /nfs/dbraw/zinc/38/92/33/592389233.db2.gz FGBDNIQAJJFDMT-NSCUHMNNSA-N 1 2 343.265 1.106 20 30 EDEDLO CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@H]3CC[C@@H](CC#N)C3)co2)C1 ZINC000908563610 592540928 /nfs/dbraw/zinc/54/09/28/592540928.db2.gz NSTKSESPZXGMTH-IHRRRGAJSA-N 1 2 332.404 1.707 20 30 EDEDLO CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@H]3CC[C@@H](CC#N)C3)co2)C1 ZINC000908563610 592540929 /nfs/dbraw/zinc/54/09/29/592540929.db2.gz NSTKSESPZXGMTH-IHRRRGAJSA-N 1 2 332.404 1.707 20 30 EDEDLO C#CCNC(=O)CC[NH2+][C@@H](c1nccn1C)c1ccc(F)c(F)c1 ZINC000905687239 592613031 /nfs/dbraw/zinc/61/30/31/592613031.db2.gz LZACXFWDKSUXHJ-MRXNPFEDSA-N 1 2 332.354 1.517 20 30 EDEDLO Cc1nc(CC2CC[NH+](Cn3ccc(C)c(C#N)c3=O)CC2)no1 ZINC000905734800 592632118 /nfs/dbraw/zinc/63/21/18/592632118.db2.gz VAMKJSOEJFSENJ-UHFFFAOYSA-N 1 2 327.388 1.632 20 30 EDEDLO N#CCc1cccc2c1CC[N@H+](Cc1cn(Cc3ncon3)nn1)C2 ZINC000906318037 592782237 /nfs/dbraw/zinc/78/22/37/592782237.db2.gz GRGMBPBFHFSUBF-UHFFFAOYSA-N 1 2 335.371 1.334 20 30 EDEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cn(Cc3ncon3)nn1)C2 ZINC000906318037 592782239 /nfs/dbraw/zinc/78/22/39/592782239.db2.gz GRGMBPBFHFSUBF-UHFFFAOYSA-N 1 2 335.371 1.334 20 30 EDEDLO C/C(=C\C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000907822071 592805363 /nfs/dbraw/zinc/80/53/63/592805363.db2.gz SFZKGJUKWRMEGI-PMXLPMHFSA-N 1 2 325.412 1.940 20 30 EDEDLO Cc1cc(C)c(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c(=O)[nH]1 ZINC000906472343 592824764 /nfs/dbraw/zinc/82/47/64/592824764.db2.gz HUZFTJMSZDTXGO-UHFFFAOYSA-N 1 2 346.431 1.021 20 30 EDEDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C(F)(F)c1ccccc1C#N ZINC000910930945 592901864 /nfs/dbraw/zinc/90/18/64/592901864.db2.gz MKOUTAPPSZIXJW-STQMWFEESA-N 1 2 337.370 1.564 20 30 EDEDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C(F)(F)c1ccccc1C#N ZINC000910930945 592901865 /nfs/dbraw/zinc/90/18/65/592901865.db2.gz MKOUTAPPSZIXJW-STQMWFEESA-N 1 2 337.370 1.564 20 30 EDEDLO COC[C@@H]1CC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000840083513 593143222 /nfs/dbraw/zinc/14/32/22/593143222.db2.gz MHYMGWCYFQDYND-HNNXBMFYSA-N 1 2 328.372 1.001 20 30 EDEDLO COC[C@@H]1CC[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000840083513 593143225 /nfs/dbraw/zinc/14/32/25/593143225.db2.gz MHYMGWCYFQDYND-HNNXBMFYSA-N 1 2 328.372 1.001 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000839677163 593369090 /nfs/dbraw/zinc/36/90/90/593369090.db2.gz QCLBPYVOLDXVDT-HUUCEWRRSA-N 1 2 348.424 1.610 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000839677163 593369094 /nfs/dbraw/zinc/36/90/94/593369094.db2.gz QCLBPYVOLDXVDT-HUUCEWRRSA-N 1 2 348.424 1.610 20 30 EDEDLO C=CCN(C)C(=O)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000804316634 593404190 /nfs/dbraw/zinc/40/41/90/593404190.db2.gz GVBIYHASCPBHAR-UHFFFAOYSA-N 1 2 331.416 1.425 20 30 EDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2ccc(C#N)cc2OC(F)F)C1 ZINC000805475593 593457580 /nfs/dbraw/zinc/45/75/80/593457580.db2.gz VDCAXUYZJRXGST-AWEZNQCLSA-N 1 2 340.326 1.924 20 30 EDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2ccc(C#N)cc2OC(F)F)C1 ZINC000805475593 593457581 /nfs/dbraw/zinc/45/75/81/593457581.db2.gz VDCAXUYZJRXGST-AWEZNQCLSA-N 1 2 340.326 1.924 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000806665734 593463269 /nfs/dbraw/zinc/46/32/69/593463269.db2.gz QKKJKCKCKARSKE-HNNXBMFYSA-N 1 2 333.432 1.771 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000806665734 593463271 /nfs/dbraw/zinc/46/32/71/593463271.db2.gz QKKJKCKCKARSKE-HNNXBMFYSA-N 1 2 333.432 1.771 20 30 EDEDLO O=C(NO)c1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000816403307 593522514 /nfs/dbraw/zinc/52/25/14/593522514.db2.gz ABRRWRRRIBZTDG-MRXNPFEDSA-N 1 2 347.415 1.065 20 30 EDEDLO O=C(NO)c1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000816403307 593522515 /nfs/dbraw/zinc/52/25/15/593522515.db2.gz ABRRWRRRIBZTDG-MRXNPFEDSA-N 1 2 347.415 1.065 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCNC(=O)CC3)CC2)cc1 ZINC000814773805 593602324 /nfs/dbraw/zinc/60/23/24/593602324.db2.gz NZYZQOWFXSQBCQ-KRWDZBQOSA-N 1 2 340.427 1.119 20 30 EDEDLO N#CCCOCCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000815207247 593620503 /nfs/dbraw/zinc/62/05/03/593620503.db2.gz WAVZCDQHFAGYBL-QGZVFWFLSA-N 1 2 332.400 1.658 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000815594694 593643720 /nfs/dbraw/zinc/64/37/20/593643720.db2.gz WECFJODPHSQBLJ-QGZVFWFLSA-N 1 2 325.412 1.207 20 30 EDEDLO C=C(C)C[N@H+](CC)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823877606 593877954 /nfs/dbraw/zinc/87/79/54/593877954.db2.gz AZWAAUNZBFCUPE-UHFFFAOYSA-N 1 2 335.433 1.538 20 30 EDEDLO C=C(C)C[N@@H+](CC)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823877606 593877957 /nfs/dbraw/zinc/87/79/57/593877957.db2.gz AZWAAUNZBFCUPE-UHFFFAOYSA-N 1 2 335.433 1.538 20 30 EDEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2C[N@@H+](C3CC3)C[C@H]2C)o1 ZINC000820750348 593880197 /nfs/dbraw/zinc/88/01/97/593880197.db2.gz AXGWHYKZNPLFPK-SECBINFHSA-N 1 2 330.396 1.860 20 30 EDEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2C[N@H+](C3CC3)C[C@H]2C)o1 ZINC000820750348 593880200 /nfs/dbraw/zinc/88/02/00/593880200.db2.gz AXGWHYKZNPLFPK-SECBINFHSA-N 1 2 330.396 1.860 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[NH+]1CCC(C)(C#N)CC1 ZINC000824046668 593917545 /nfs/dbraw/zinc/91/75/45/593917545.db2.gz UVZWRRJBSVECIJ-GFCCVEGCSA-N 1 2 339.403 1.819 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000820982595 593935475 /nfs/dbraw/zinc/93/54/75/593935475.db2.gz BZDGJVOGVOSBHM-CABCVRRESA-N 1 2 331.416 1.929 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000820982595 593935477 /nfs/dbraw/zinc/93/54/77/593935477.db2.gz BZDGJVOGVOSBHM-CABCVRRESA-N 1 2 331.416 1.929 20 30 EDEDLO C#CCCN(CCOC)C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000824747688 594068264 /nfs/dbraw/zinc/06/82/64/594068264.db2.gz GPHNRLXXNIHHRX-SFHVURJKSA-N 1 2 330.428 1.768 20 30 EDEDLO C#CCCN(CCOC)C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000824747688 594068266 /nfs/dbraw/zinc/06/82/66/594068266.db2.gz GPHNRLXXNIHHRX-SFHVURJKSA-N 1 2 330.428 1.768 20 30 EDEDLO COc1cc(C#N)ccc1C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000822862310 594112969 /nfs/dbraw/zinc/11/29/69/594112969.db2.gz SCLXLNSGEUKIMF-UHFFFAOYSA-N 1 2 331.416 1.750 20 30 EDEDLO N#Cc1c[nH]c2cc(C(=O)N3CC[NH+](Cc4cn[nH]c4)CC3)ccc12 ZINC000823003325 594135196 /nfs/dbraw/zinc/13/51/96/594135196.db2.gz OUDQODWPKZUILW-UHFFFAOYSA-N 1 2 334.383 1.721 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000823304781 594182996 /nfs/dbraw/zinc/18/29/96/594182996.db2.gz CULCEWPVZJDHKF-AWEZNQCLSA-N 1 2 327.211 1.804 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823468483 594205951 /nfs/dbraw/zinc/20/59/51/594205951.db2.gz HCZJENCFZPYJGP-CQSZACIVSA-N 1 2 349.398 1.349 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823468483 594205953 /nfs/dbraw/zinc/20/59/53/594205953.db2.gz HCZJENCFZPYJGP-CQSZACIVSA-N 1 2 349.398 1.349 20 30 EDEDLO C#Cc1cnc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)nc1 ZINC000827557181 594232288 /nfs/dbraw/zinc/23/22/88/594232288.db2.gz JLTUOXVGAZUOTI-CQSZACIVSA-N 1 2 327.432 1.027 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831482144 594639910 /nfs/dbraw/zinc/63/99/10/594639910.db2.gz MSGXLNKFASKHJL-CQSZACIVSA-N 1 2 333.411 1.351 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1C#N ZINC000827344524 594663181 /nfs/dbraw/zinc/66/31/81/594663181.db2.gz DTGGXQLEZKSVRD-ZWNOBZJWSA-N 1 2 332.429 1.547 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1C#N ZINC000827344524 594663182 /nfs/dbraw/zinc/66/31/82/594663182.db2.gz DTGGXQLEZKSVRD-ZWNOBZJWSA-N 1 2 332.429 1.547 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000831687908 594692714 /nfs/dbraw/zinc/69/27/14/594692714.db2.gz ZPABSIJJBWLAIW-RBSFLKMASA-N 1 2 335.448 1.706 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000831691235 594692994 /nfs/dbraw/zinc/69/29/94/594692994.db2.gz JMGGFFJINYMWBA-ZDUSSCGKSA-N 1 2 347.390 1.782 20 30 EDEDLO C#CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2[nH+]ccn2CC)cc1 ZINC000835898963 594889529 /nfs/dbraw/zinc/88/95/29/594889529.db2.gz OXPNLXOKHTXDCJ-ZDUSSCGKSA-N 1 2 340.383 1.731 20 30 EDEDLO COc1ccc(Cn2nc(C)c(C=NNC3=[NH+]CCN3)c2C)cc1 ZINC000841661961 594931826 /nfs/dbraw/zinc/93/18/26/594931826.db2.gz UNRAGNRXNVVKAB-UHFFFAOYSA-N 1 2 326.404 1.440 20 30 EDEDLO Cc1nc(N2CCN(C(=O)c3sccc3CC#N)CC2)cc[nH+]1 ZINC000867403625 595146077 /nfs/dbraw/zinc/14/60/77/595146077.db2.gz RFGQEHWWJPXTAF-UHFFFAOYSA-N 1 2 327.413 1.875 20 30 EDEDLO C#CCO[C@H](C)C(=O)OCC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000835186891 595276266 /nfs/dbraw/zinc/27/62/66/595276266.db2.gz KXLGXNSYIUCUIH-OAHLLOKOSA-N 1 2 336.457 1.447 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCN(Cc2ccccc2)C(C)=O)CC1 ZINC000101961023 595281551 /nfs/dbraw/zinc/28/15/51/595281551.db2.gz JUJUHSARSLWVDS-UHFFFAOYSA-N 1 2 327.428 1.203 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)nn1 ZINC000846898448 595334437 /nfs/dbraw/zinc/33/44/37/595334437.db2.gz FQRJPMKBQJFEKE-ZDUSSCGKSA-N 1 2 332.326 1.782 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)nn1 ZINC000846898448 595334439 /nfs/dbraw/zinc/33/44/39/595334439.db2.gz FQRJPMKBQJFEKE-ZDUSSCGKSA-N 1 2 332.326 1.782 20 30 EDEDLO CCOC(=O)C1=C(C[NH2+][C@@H](CC)CC#N)NC(=O)N[C@H]1c1ccco1 ZINC000846986931 595347337 /nfs/dbraw/zinc/34/73/37/595347337.db2.gz LCWROQRVYQFQNZ-NHYWBVRUSA-N 1 2 346.387 1.733 20 30 EDEDLO COCCOCCN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000844467985 595347553 /nfs/dbraw/zinc/34/75/53/595347553.db2.gz QVBZFHNQBBHCQB-UHFFFAOYSA-N 1 2 333.432 1.370 20 30 EDEDLO Cc1nc(Br)sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844527179 595354451 /nfs/dbraw/zinc/35/44/51/595354451.db2.gz MFZJRQYDKZEYSQ-NSHDSACASA-N 1 2 331.239 1.788 20 30 EDEDLO CC(=O)Nc1ccccc1C(F)(F)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844526794 595355175 /nfs/dbraw/zinc/35/51/75/595355175.db2.gz IUFIKAONJDVWDE-HNNXBMFYSA-N 1 2 338.358 1.697 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(C(F)F)ccc2F)CC1 ZINC000844620801 595364607 /nfs/dbraw/zinc/36/46/07/595364607.db2.gz PZXLDCRJLGVTKL-UHFFFAOYSA-N 1 2 325.334 1.953 20 30 EDEDLO C/C(=C/c1cccnc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000847412140 595413982 /nfs/dbraw/zinc/41/39/82/595413982.db2.gz UQVNKZLMPHARDW-PEZBUJJGSA-N 1 2 328.416 1.559 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CSCN2C(=O)/C(C)=C\CC)CC1 ZINC000106927640 595445085 /nfs/dbraw/zinc/44/50/85/595445085.db2.gz XRQIMZPMBNNYMO-HWIKDYBBSA-N 1 2 335.473 1.022 20 30 EDEDLO C=C(C)CONC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000845598140 595523512 /nfs/dbraw/zinc/52/35/12/595523512.db2.gz YBJLBGIARDXGFV-KRWDZBQOSA-N 1 2 333.432 1.737 20 30 EDEDLO CCCCCCCNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000858109248 595702074 /nfs/dbraw/zinc/70/20/74/595702074.db2.gz SPTGQMKAXUEKCF-UHFFFAOYSA-N 1 2 338.496 1.906 20 30 EDEDLO C=CCCn1cc(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)nn1 ZINC000850018830 595720062 /nfs/dbraw/zinc/72/00/62/595720062.db2.gz ZXBUVRVLQVQNFI-UHFFFAOYSA-N 1 2 335.433 1.516 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000853320392 595734680 /nfs/dbraw/zinc/73/46/80/595734680.db2.gz YESRDBYAOJWRSM-CQSZACIVSA-N 1 2 337.445 1.379 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000853456711 595755221 /nfs/dbraw/zinc/75/52/21/595755221.db2.gz OCWKIUGJUPIVLD-AWEZNQCLSA-N 1 2 337.445 1.567 20 30 EDEDLO C=C(Br)CNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000853504345 595772366 /nfs/dbraw/zinc/77/23/66/595772366.db2.gz QDZOBOXZCANYKE-SNVBAGLBSA-N 1 2 345.241 1.688 20 30 EDEDLO C#CCC[N@H+](CCOC)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000853620015 595834066 /nfs/dbraw/zinc/83/40/66/595834066.db2.gz QMHMQUXZDGMMLR-UHFFFAOYSA-N 1 2 331.170 1.483 20 30 EDEDLO CN(CCC#N)c1ccc(C[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000850383998 595824240 /nfs/dbraw/zinc/82/42/40/595824240.db2.gz HCCNDOSFMAGTAY-UHFFFAOYSA-N 1 2 329.429 1.882 20 30 EDEDLO C#CCC[N@@H+](CCOC)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000853620015 595834065 /nfs/dbraw/zinc/83/40/65/595834065.db2.gz QMHMQUXZDGMMLR-UHFFFAOYSA-N 1 2 331.170 1.483 20 30 EDEDLO C#C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)C1CCOCC1 ZINC000856104171 595896558 /nfs/dbraw/zinc/89/65/58/595896558.db2.gz RIHLYETUPRMWAH-KRWDZBQOSA-N 1 2 343.427 1.072 20 30 EDEDLO C#C[C@@H](NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1)C1CCOCC1 ZINC000856108115 595897412 /nfs/dbraw/zinc/89/74/12/595897412.db2.gz BQYNXYLICGNKAP-MSOLQXFVSA-N 1 2 336.476 1.668 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000859031853 595956746 /nfs/dbraw/zinc/95/67/46/595956746.db2.gz YSGDIWQVZLLRBL-RDJZCZTQSA-N 1 2 330.432 1.508 20 30 EDEDLO C#CCCN(CCOC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000856391438 595973322 /nfs/dbraw/zinc/97/33/22/595973322.db2.gz STAHPFKNODIRBJ-UHFFFAOYSA-N 1 2 342.355 1.892 20 30 EDEDLO N#Cc1cnc(N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000856530634 596011734 /nfs/dbraw/zinc/01/17/34/596011734.db2.gz OGFUBDXVACLEJZ-UONOGXRCSA-N 1 2 325.347 1.447 20 30 EDEDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000852211995 596087654 /nfs/dbraw/zinc/08/76/54/596087654.db2.gz YVJMBSXFQPAKER-MRXNPFEDSA-N 1 2 342.399 1.932 20 30 EDEDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000852211995 596087657 /nfs/dbraw/zinc/08/76/57/596087657.db2.gz YVJMBSXFQPAKER-MRXNPFEDSA-N 1 2 342.399 1.932 20 30 EDEDLO C=CC[N@H+](C[C@H](O)c1ccc(S(C)(=O)=O)cc1)[C@@H](C)COC ZINC000852358725 596135833 /nfs/dbraw/zinc/13/58/33/596135833.db2.gz ZUJJQVPYEODLIN-BBRMVZONSA-N 1 2 327.446 1.646 20 30 EDEDLO C=CC[N@@H+](C[C@H](O)c1ccc(S(C)(=O)=O)cc1)[C@@H](C)COC ZINC000852358725 596135834 /nfs/dbraw/zinc/13/58/34/596135834.db2.gz ZUJJQVPYEODLIN-BBRMVZONSA-N 1 2 327.446 1.646 20 30 EDEDLO CS(=O)(=O)N(O[NH+]=Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000857243394 596196281 /nfs/dbraw/zinc/19/62/81/596196281.db2.gz HPJDSRYZFBKGNS-UHFFFAOYSA-N 1 2 339.417 1.213 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)C1CCOCC1 ZINC000852647347 596218545 /nfs/dbraw/zinc/21/85/45/596218545.db2.gz QCARTFXAMVJKTN-SFHVURJKSA-N 1 2 342.443 1.337 20 30 EDEDLO C=C[C@@H](O)C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000854895202 596225561 /nfs/dbraw/zinc/22/55/61/596225561.db2.gz PJNMSSHKOVLLLP-LLVKDONJSA-N 1 2 342.193 1.166 20 30 EDEDLO Cc1ccc(N2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)c(C)c1 ZINC000852744786 596237451 /nfs/dbraw/zinc/23/74/51/596237451.db2.gz IORSTKUNQNOGBV-UHFFFAOYSA-N 1 2 326.444 1.988 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000122221926 596241663 /nfs/dbraw/zinc/24/16/63/596241663.db2.gz QTYUJDIBJRVAOI-MRXNPFEDSA-N 1 2 342.443 1.397 20 30 EDEDLO CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000862460507 596332396 /nfs/dbraw/zinc/33/23/96/596332396.db2.gz HDGWRJIMNCYWES-KRWDZBQOSA-N 1 2 345.447 1.166 20 30 EDEDLO CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CCO1 ZINC000862460507 596332400 /nfs/dbraw/zinc/33/24/00/596332400.db2.gz HDGWRJIMNCYWES-KRWDZBQOSA-N 1 2 345.447 1.166 20 30 EDEDLO C#CC[C@H]1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000862573904 596348728 /nfs/dbraw/zinc/34/87/28/596348728.db2.gz GBBZVPSSIBDFDW-GOEBONIOSA-N 1 2 330.432 1.355 20 30 EDEDLO C#CC[C@H]1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000862573904 596348731 /nfs/dbraw/zinc/34/87/31/596348731.db2.gz GBBZVPSSIBDFDW-GOEBONIOSA-N 1 2 330.432 1.355 20 30 EDEDLO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869148893 596424735 /nfs/dbraw/zinc/42/47/35/596424735.db2.gz MSASQNYPYSQHIW-IHWYPQMZSA-N 1 2 325.372 1.570 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000869241515 596458521 /nfs/dbraw/zinc/45/85/21/596458521.db2.gz HNPWATLQNDEICJ-OLZOCXBDSA-N 1 2 326.400 1.879 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000869241515 596458524 /nfs/dbraw/zinc/45/85/24/596458524.db2.gz HNPWATLQNDEICJ-OLZOCXBDSA-N 1 2 326.400 1.879 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(CCC)s2)CC1 ZINC000865177601 596501163 /nfs/dbraw/zinc/50/11/63/596501163.db2.gz DSNJTJOMQQVCHH-UHFFFAOYSA-N 1 2 347.484 1.598 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(CCC)s2)CC1 ZINC000865177601 596501166 /nfs/dbraw/zinc/50/11/66/596501166.db2.gz DSNJTJOMQQVCHH-UHFFFAOYSA-N 1 2 347.484 1.598 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3c(F)cc(F)cc3C2)CC1 ZINC000120647795 596628974 /nfs/dbraw/zinc/62/89/74/596628974.db2.gz UJOCVEGSMRSRJH-UHFFFAOYSA-N 1 2 333.382 1.100 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2C[C@H]3CCC[C@H]3O2)c1=O ZINC000871672516 596666685 /nfs/dbraw/zinc/66/66/85/596666685.db2.gz QPDQLBRENPMWDV-BPQIPLTHSA-N 1 2 343.427 1.510 20 30 EDEDLO N#CCc1ccnc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000871722060 596678180 /nfs/dbraw/zinc/67/81/80/596678180.db2.gz HTIKUAXQUMCWDM-INIZCTEOSA-N 1 2 343.431 1.866 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000863781347 596684163 /nfs/dbraw/zinc/68/41/63/596684163.db2.gz KZRVAGXTEOUWJR-INIZCTEOSA-N 1 2 331.416 1.072 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)CC1 ZINC000865796354 596687424 /nfs/dbraw/zinc/68/74/24/596687424.db2.gz SFTOVMRVJPUJKO-UHFFFAOYSA-N 1 2 345.390 1.958 20 30 EDEDLO C=C(Cl)C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C(=O)OCC ZINC000870027978 596715736 /nfs/dbraw/zinc/71/57/36/596715736.db2.gz BRLWZEIGJBCUHQ-AAEUAGOBSA-N 1 2 325.796 1.636 20 30 EDEDLO N#Cc1ccc(CCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000870071169 596735144 /nfs/dbraw/zinc/73/51/44/596735144.db2.gz AUQFAORTHARCJA-SFHVURJKSA-N 1 2 343.427 1.050 20 30 EDEDLO COC[C@]1(C(=O)OC(C)(C)C)CN(c2cc(C)[nH+]cc2C#N)CCO1 ZINC000866082095 596781594 /nfs/dbraw/zinc/78/15/94/596781594.db2.gz CZHJADNIESWRHA-SFHVURJKSA-N 1 2 347.415 1.825 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)cc1 ZINC000864422815 596888272 /nfs/dbraw/zinc/88/82/72/596888272.db2.gz PTESUTHOZLNKCU-UHFFFAOYSA-N 1 2 338.415 1.677 20 30 EDEDLO C(=NN[C@H]1CCSC1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872374056 596896323 /nfs/dbraw/zinc/89/63/23/596896323.db2.gz QVKCXPUVESWSLH-INIZCTEOSA-N 1 2 335.473 1.827 20 30 EDEDLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(C#N)c1 ZINC000872457237 596917193 /nfs/dbraw/zinc/91/71/93/596917193.db2.gz OYSLGPRYNYFMCJ-MRXNPFEDSA-N 1 2 349.456 1.352 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C[C@@H]4CCCCN4C3=O)CC2)cc1 ZINC000872728368 597048712 /nfs/dbraw/zinc/04/87/12/597048712.db2.gz IRBZVLFEQMUHRL-SFHVURJKSA-N 1 2 339.443 1.928 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2=C(c3ccccc3)SCCO2)CC1 ZINC000874468160 597094033 /nfs/dbraw/zinc/09/40/33/597094033.db2.gz FBDIALQHKRWCRJ-UHFFFAOYSA-N 1 2 328.437 1.896 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)[C@@H](C)CO1 ZINC000876278161 597159264 /nfs/dbraw/zinc/15/92/64/597159264.db2.gz CPRYFJDTOOYWAT-PMUMKWKESA-N 1 2 342.443 1.434 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)[C@@H](C)CO1 ZINC000876278161 597159267 /nfs/dbraw/zinc/15/92/67/597159267.db2.gz CPRYFJDTOOYWAT-PMUMKWKESA-N 1 2 342.443 1.434 20 30 EDEDLO CCOC(=O)[C@H]1[NH2+]CC[C@@H]1Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC000873247129 597238737 /nfs/dbraw/zinc/23/87/37/597238737.db2.gz IQXWBMDPQYSETL-IRXDYDNUSA-N 1 2 339.399 1.509 20 30 EDEDLO CN1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)Cc2ccc[nH+]c21 ZINC000875053341 597262524 /nfs/dbraw/zinc/26/25/24/597262524.db2.gz XQVLPKUUKVKIHJ-UHFFFAOYSA-N 1 2 349.394 1.048 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(OCC#N)cc1 ZINC000875219650 597337654 /nfs/dbraw/zinc/33/76/54/597337654.db2.gz NYKABKNFPDLWRN-MRXNPFEDSA-N 1 2 346.431 1.499 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(OCC#N)cc1 ZINC000875219650 597337659 /nfs/dbraw/zinc/33/76/59/597337659.db2.gz NYKABKNFPDLWRN-MRXNPFEDSA-N 1 2 346.431 1.499 20 30 EDEDLO C#C[C@H](NC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1)[C@H]1CCCO1 ZINC000875505983 597456387 /nfs/dbraw/zinc/45/63/87/597456387.db2.gz ARDLDTYEZRNFCI-YESZJQIVSA-N 1 2 340.427 1.756 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)C1 ZINC000873940078 597460368 /nfs/dbraw/zinc/46/03/68/597460368.db2.gz LTOTUZMZZGARGE-CYBMUJFWSA-N 1 2 331.420 1.082 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)C1 ZINC000873940078 597460373 /nfs/dbraw/zinc/46/03/73/597460373.db2.gz LTOTUZMZZGARGE-CYBMUJFWSA-N 1 2 331.420 1.082 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585576 597645296 /nfs/dbraw/zinc/64/52/96/597645296.db2.gz JGUAEWBKVANMMC-UHFFFAOYSA-N 1 2 325.416 1.442 20 30 EDEDLO CC(C)(O)C1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000879627551 597664893 /nfs/dbraw/zinc/66/48/93/597664893.db2.gz JZTLGBVNBCGDMI-UHFFFAOYSA-N 1 2 336.457 1.815 20 30 EDEDLO C#C[C@@H]1COCCN1C[C@@H](C[N@@H+]1CCOC[C@@H]1C#C)c1ccccc1 ZINC000878704966 597685173 /nfs/dbraw/zinc/68/51/73/597685173.db2.gz LIKGOJRPSRYNQS-WKCHPHFGSA-N 1 2 338.451 1.438 20 30 EDEDLO C#C[C@@H]1COCCN1C[C@@H](C[N@H+]1CCOC[C@@H]1C#C)c1ccccc1 ZINC000878704966 597685174 /nfs/dbraw/zinc/68/51/74/597685174.db2.gz LIKGOJRPSRYNQS-WKCHPHFGSA-N 1 2 338.451 1.438 20 30 EDEDLO C#C[C@@H]1COCC[N@H+]1C[C@@H](CN1CCOC[C@@H]1C#C)c1ccccc1 ZINC000878704966 597685177 /nfs/dbraw/zinc/68/51/77/597685177.db2.gz LIKGOJRPSRYNQS-WKCHPHFGSA-N 1 2 338.451 1.438 20 30 EDEDLO C#C[C@@H]1COCC[N@@H+]1C[C@@H](CN1CCOC[C@@H]1C#C)c1ccccc1 ZINC000878704966 597685179 /nfs/dbraw/zinc/68/51/79/597685179.db2.gz LIKGOJRPSRYNQS-WKCHPHFGSA-N 1 2 338.451 1.438 20 30 EDEDLO C#CCCOc1ccc(C[NH+]2CCN(CC(=O)NCC)CC2)cc1 ZINC000129189279 597686293 /nfs/dbraw/zinc/68/62/93/597686293.db2.gz XYMHFGVGEIIHDB-UHFFFAOYSA-N 1 2 329.444 1.342 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763458 597715347 /nfs/dbraw/zinc/71/53/47/597715347.db2.gz NTZIRYNARLVPIY-DOMZBBRYSA-N 1 2 349.397 1.942 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879763458 597715350 /nfs/dbraw/zinc/71/53/50/597715350.db2.gz NTZIRYNARLVPIY-DOMZBBRYSA-N 1 2 349.397 1.942 20 30 EDEDLO C#CCCN1CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC000881811582 597734052 /nfs/dbraw/zinc/73/40/52/597734052.db2.gz GMRJEAOPYCZKPG-UHFFFAOYSA-N 1 2 347.484 1.004 20 30 EDEDLO C#CCCN1CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC000881811582 597734054 /nfs/dbraw/zinc/73/40/54/597734054.db2.gz GMRJEAOPYCZKPG-UHFFFAOYSA-N 1 2 347.484 1.004 20 30 EDEDLO CC1(C)OC[C@@H]([C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CCO2)O1 ZINC000879920219 597764407 /nfs/dbraw/zinc/76/44/07/597764407.db2.gz MPKGVDHFPMATLP-IRXDYDNUSA-N 1 2 332.400 1.941 20 30 EDEDLO CC1(C)OC[C@@H]([C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CCO2)O1 ZINC000879920219 597764408 /nfs/dbraw/zinc/76/44/08/597764408.db2.gz MPKGVDHFPMATLP-IRXDYDNUSA-N 1 2 332.400 1.941 20 30 EDEDLO CC(=O)Nc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000880029271 597815337 /nfs/dbraw/zinc/81/53/37/597815337.db2.gz UCMYJQJWKMBBBO-ZDUSSCGKSA-N 1 2 328.416 1.764 20 30 EDEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000880029271 597815339 /nfs/dbraw/zinc/81/53/39/597815339.db2.gz UCMYJQJWKMBBBO-ZDUSSCGKSA-N 1 2 328.416 1.764 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879229360 597858369 /nfs/dbraw/zinc/85/83/69/597858369.db2.gz VTMNFWZNYRYMMC-LJQANCHMSA-N 1 2 342.443 1.127 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879229360 597858370 /nfs/dbraw/zinc/85/83/70/597858370.db2.gz VTMNFWZNYRYMMC-LJQANCHMSA-N 1 2 342.443 1.127 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349442 597911142 /nfs/dbraw/zinc/91/11/42/597911142.db2.gz ARZNDMMNLOPRAW-CQSZACIVSA-N 1 2 343.427 1.839 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880349442 597911144 /nfs/dbraw/zinc/91/11/44/597911144.db2.gz ARZNDMMNLOPRAW-CQSZACIVSA-N 1 2 343.427 1.839 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC000879446010 597919589 /nfs/dbraw/zinc/91/95/89/597919589.db2.gz AIDLEVJPMWRGOQ-CYBMUJFWSA-N 1 2 335.835 1.301 20 30 EDEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccc(C(=O)OCC)cc2)CC1 ZINC000880479861 597941668 /nfs/dbraw/zinc/94/16/68/597941668.db2.gz ALNQRRILBJKLTB-UHFFFAOYSA-N 1 2 344.411 1.652 20 30 EDEDLO C#CCC1(O)CC[NH+](CC(=O)N(CC(C)C)CC(F)(F)F)CC1 ZINC000880479939 597941685 /nfs/dbraw/zinc/94/16/85/597941685.db2.gz DAYIKTQJZCAXBW-UHFFFAOYSA-N 1 2 334.382 1.884 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585387 597971424 /nfs/dbraw/zinc/97/14/24/597971424.db2.gz RDXMFMSIWJHHGB-AWEZNQCLSA-N 1 2 331.372 1.830 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585387 597971426 /nfs/dbraw/zinc/97/14/26/597971426.db2.gz RDXMFMSIWJHHGB-AWEZNQCLSA-N 1 2 331.372 1.830 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCOc1cccc2ccccc21 ZINC000884096452 597993678 /nfs/dbraw/zinc/99/36/78/597993678.db2.gz VVGWIIMUXYHVJP-INIZCTEOSA-N 1 2 342.395 1.781 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000884103780 597995967 /nfs/dbraw/zinc/99/59/67/597995967.db2.gz SVIZAGSQHVFMQP-KBPBESRZSA-N 1 2 336.363 1.602 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000884121100 598000567 /nfs/dbraw/zinc/00/05/67/598000567.db2.gz FRCPMLJPRLREMB-KBMXLJTQSA-N 1 2 332.400 1.422 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(Cl)cc1OC ZINC000884130112 598004113 /nfs/dbraw/zinc/00/41/13/598004113.db2.gz ABKVAJNMCTUWLO-LBPRGKRZSA-N 1 2 326.780 1.411 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000884147149 598007904 /nfs/dbraw/zinc/00/79/04/598007904.db2.gz AUBMJWUUCLRDOP-BJJXKVORSA-N 1 2 334.391 1.977 20 30 EDEDLO C#CCOc1ccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000129802572 598019555 /nfs/dbraw/zinc/01/95/55/598019555.db2.gz IWMKJAWHBMTNNU-UHFFFAOYSA-N 1 2 340.383 1.382 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000884332830 598070960 /nfs/dbraw/zinc/07/09/60/598070960.db2.gz XGJJUKVJJWLNHC-AHIWAGSCSA-N 1 2 346.427 1.976 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(F)(F)c1ccccc1C ZINC000884415065 598098263 /nfs/dbraw/zinc/09/82/63/598098263.db2.gz KOTCIOHLVHMBHZ-ZDUSSCGKSA-N 1 2 326.343 1.650 20 30 EDEDLO C=C[C@](C)(CC)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060462494 695231036 /nfs/dbraw/zinc/23/10/36/695231036.db2.gz DKMKSGHJVRXOQM-KBXCAEBGSA-N 1 2 332.448 1.909 20 30 EDEDLO C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H]1C ZINC000993150783 695678828 /nfs/dbraw/zinc/67/88/28/695678828.db2.gz RHWYRRLTWOHQRQ-DGCLKSJQSA-N 1 2 341.253 1.830 20 30 EDEDLO C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H]1C ZINC000993150783 695678829 /nfs/dbraw/zinc/67/88/29/695678829.db2.gz RHWYRRLTWOHQRQ-DGCLKSJQSA-N 1 2 341.253 1.830 20 30 EDEDLO Cc1nnsc1C[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000993165554 695711044 /nfs/dbraw/zinc/71/10/44/695711044.db2.gz AUBNWJNFGBQIQA-AAEUAGOBSA-N 1 2 344.444 1.829 20 30 EDEDLO Cc1nnsc1C[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1C ZINC000993165554 695711047 /nfs/dbraw/zinc/71/10/47/695711047.db2.gz AUBNWJNFGBQIQA-AAEUAGOBSA-N 1 2 344.444 1.829 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001031859037 700026397 /nfs/dbraw/zinc/02/63/97/700026397.db2.gz LZZIPZXTBJLWKB-LFDJNIOPSA-N 1 2 337.423 1.530 20 30 EDEDLO N#Cc1cccnc1N[C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001060535543 695836526 /nfs/dbraw/zinc/83/65/26/695836526.db2.gz POYDVYRRSIJJNB-HRCADAONSA-N 1 2 336.399 1.499 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H](Cc3ccccc3)OC)C2)nc1 ZINC001031278631 696106594 /nfs/dbraw/zinc/10/65/94/696106594.db2.gz UEFCVZPPPJXYRC-LJQANCHMSA-N 1 2 349.434 1.735 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc3n2CCOC3)[C@H]1C ZINC000993442483 696141877 /nfs/dbraw/zinc/14/18/77/696141877.db2.gz CAKCKQAQLTUJFO-CHWSQXEVSA-N 1 2 338.839 1.749 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3n2CCOC3)[C@H]1C ZINC000993442483 696141878 /nfs/dbraw/zinc/14/18/78/696141878.db2.gz CAKCKQAQLTUJFO-CHWSQXEVSA-N 1 2 338.839 1.749 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@@H]1C ZINC000993467334 696172447 /nfs/dbraw/zinc/17/24/47/696172447.db2.gz LJJOGKUDLFYKTP-QWHCGFSZSA-N 1 2 348.838 1.768 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nc3ncc(C)cn3n2)[C@@H]1C ZINC000993467334 696172451 /nfs/dbraw/zinc/17/24/51/696172451.db2.gz LJJOGKUDLFYKTP-QWHCGFSZSA-N 1 2 348.838 1.768 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@H]1C ZINC000993582361 696234129 /nfs/dbraw/zinc/23/41/29/696234129.db2.gz ZBQBCOBQPPRKOM-VXGBXAGGSA-N 1 2 326.828 1.764 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@H]1C ZINC000993582361 696234126 /nfs/dbraw/zinc/23/41/26/696234126.db2.gz ZBQBCOBQPPRKOM-VXGBXAGGSA-N 1 2 326.828 1.764 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)CCCN1CC#N ZINC000993921739 696461662 /nfs/dbraw/zinc/46/16/62/696461662.db2.gz XNPKRWYXEQFLIU-HZPDHXFCSA-N 1 2 334.464 1.124 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccn(C)n3)[C@H]2C)nc1 ZINC000994252620 696649271 /nfs/dbraw/zinc/64/92/71/696649271.db2.gz MHCQFWKXDIUAHM-YOEHRIQHSA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccn(C)n3)[C@H]2C)nc1 ZINC000994252620 696649272 /nfs/dbraw/zinc/64/92/72/696649272.db2.gz MHCQFWKXDIUAHM-YOEHRIQHSA-N 1 2 337.427 1.579 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H]1C ZINC000994270303 696693831 /nfs/dbraw/zinc/69/38/31/696693831.db2.gz FTWPJGCWWHSZMB-ZIAGYGMSSA-N 1 2 338.839 1.273 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H]1C ZINC000994270303 696693836 /nfs/dbraw/zinc/69/38/36/696693836.db2.gz FTWPJGCWWHSZMB-ZIAGYGMSSA-N 1 2 338.839 1.273 20 30 EDEDLO CCO[C@@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031564339 697255227 /nfs/dbraw/zinc/25/52/27/697255227.db2.gz DBRYMFNXBBSRLW-DOTOQJQBSA-N 1 2 331.391 1.670 20 30 EDEDLO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031578014 697274549 /nfs/dbraw/zinc/27/45/49/697274549.db2.gz GEPJGCNRLUFWQC-HUUCEWRRSA-N 1 2 345.374 1.054 20 30 EDEDLO N#Cc1c[nH]c(C(=O)NCC2C[NH+](Cc3cc(C4CC4)no3)C2)c1 ZINC001031604537 697305470 /nfs/dbraw/zinc/30/54/70/697305470.db2.gz NQBGMYHOGZJJNF-UHFFFAOYSA-N 1 2 325.372 1.614 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000994616808 697320169 /nfs/dbraw/zinc/32/01/69/697320169.db2.gz SHLFAWLIBUIPPC-ACJLOTCBSA-N 1 2 330.432 1.375 20 30 EDEDLO Cc1nc(C[NH+]2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)c(C)s1 ZINC001031622924 697352977 /nfs/dbraw/zinc/35/29/77/697352977.db2.gz NSUPJHAGBZIGNW-UHFFFAOYSA-N 1 2 329.429 1.822 20 30 EDEDLO Cc1ccnc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001031641540 697392278 /nfs/dbraw/zinc/39/22/78/697392278.db2.gz IHGUXUCVPBBBSK-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cn3c(n2)CCCC3)C1 ZINC001031711431 697717297 /nfs/dbraw/zinc/71/72/97/697717297.db2.gz MCCZLVYRHHPPJU-UHFFFAOYSA-N 1 2 349.438 1.953 20 30 EDEDLO C[C@H]1OCC[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001032078445 698215578 /nfs/dbraw/zinc/21/55/78/698215578.db2.gz MCAJLXNVQHHJOL-KDOFPFPSSA-N 1 2 330.403 1.650 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2C)nn1 ZINC000943482912 698393207 /nfs/dbraw/zinc/39/32/07/698393207.db2.gz RPLGONOSCYSSIE-QWHCGFSZSA-N 1 2 346.460 1.561 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2C)nn1 ZINC000943482912 698393214 /nfs/dbraw/zinc/39/32/14/698393214.db2.gz RPLGONOSCYSSIE-QWHCGFSZSA-N 1 2 346.460 1.561 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)cc(Cl)c3)CC2)C1 ZINC000941486856 701555673 /nfs/dbraw/zinc/55/56/73/701555673.db2.gz ADOOBVWNNWLUAZ-UHFFFAOYSA-N 1 2 331.847 1.724 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3nc4ccccc4cc3C)CC2)C1 ZINC000941492152 701557749 /nfs/dbraw/zinc/55/77/49/701557749.db2.gz ULNPFRPNOFRLRM-UHFFFAOYSA-N 1 2 348.450 1.618 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)c1n[nH]cc1F ZINC001031955111 701560000 /nfs/dbraw/zinc/56/00/00/701560000.db2.gz OXYIEPJSQGOXPC-UHFFFAOYSA-N 1 2 330.338 1.401 20 30 EDEDLO C=CCC[NH+]1CC(N2CCN(C(=O)c3cccc4n[nH]cc43)CC2)C1 ZINC000941512356 701565714 /nfs/dbraw/zinc/56/57/14/701565714.db2.gz CJKLLOHVEHTTDI-UHFFFAOYSA-N 1 2 339.443 1.581 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4cccnc4c3)CC2)C1 ZINC000941609740 701595505 /nfs/dbraw/zinc/59/55/05/701595505.db2.gz SMWWPBJGUCBHBO-UHFFFAOYSA-N 1 2 348.450 1.700 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000939483127 699616015 /nfs/dbraw/zinc/61/60/15/699616015.db2.gz WTZFOXYOGNVKIU-KDOFPFPSSA-N 1 2 332.448 1.624 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nnc(CC)o3)C2)nc1 ZINC000939554596 699704381 /nfs/dbraw/zinc/70/43/81/699704381.db2.gz ISCBXQPACCBWAH-SWLSCSKDSA-N 1 2 339.399 1.259 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nc(C)no3)C2)nc1 ZINC000939554389 699704393 /nfs/dbraw/zinc/70/43/93/699704393.db2.gz HOJZSZWGJNXPKV-XHDPSFHLSA-N 1 2 325.372 1.005 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(OCC)cc3)CC2)C1 ZINC000941657667 701607077 /nfs/dbraw/zinc/60/70/77/701607077.db2.gz HSNPIRGXFYHFEB-UHFFFAOYSA-N 1 2 341.455 1.089 20 30 EDEDLO Cc1noc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)n1 ZINC000940690337 700832346 /nfs/dbraw/zinc/83/23/46/700832346.db2.gz YIAZLXPTYMSOGI-AWEZNQCLSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1noc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)n1 ZINC000940690337 700832349 /nfs/dbraw/zinc/83/23/49/700832349.db2.gz YIAZLXPTYMSOGI-AWEZNQCLSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1nc[nH]c(=O)c1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031915863 700983498 /nfs/dbraw/zinc/98/34/98/700983498.db2.gz WLNMAPURAWWUII-UHFFFAOYSA-N 1 2 336.395 1.204 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)C#CC2CC2)C1 ZINC000946001568 701354090 /nfs/dbraw/zinc/35/40/90/701354090.db2.gz ZSNXVWWYHRRKRK-RDJZCZTQSA-N 1 2 340.427 1.123 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3[C@H](C)CC)CC2)C1 ZINC000941427155 701525960 /nfs/dbraw/zinc/52/59/60/701525960.db2.gz RAWUNXSVHPXZHV-MRXNPFEDSA-N 1 2 343.475 1.319 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)CC2)C1 ZINC000941416851 701530698 /nfs/dbraw/zinc/53/06/98/701530698.db2.gz PFFJREONEULQMZ-ZIFCJYIRSA-N 1 2 327.472 1.440 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cnoc3-c3ccco3)CC2)C1 ZINC000941456086 701542882 /nfs/dbraw/zinc/54/28/82/701542882.db2.gz LKIOLDSZELKYKS-UHFFFAOYSA-N 1 2 340.383 1.010 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3(C)CCC(F)(F)CC3)CC2)C1 ZINC000941462525 701544908 /nfs/dbraw/zinc/54/49/08/701544908.db2.gz CKHLOKPBQBTJPY-UHFFFAOYSA-N 1 2 339.430 1.664 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)cc(C)n3)CC2)C1 ZINC000941468104 701549122 /nfs/dbraw/zinc/54/91/22/701549122.db2.gz MQCVMPJJJZQHEM-UHFFFAOYSA-N 1 2 326.444 1.164 20 30 EDEDLO N#Cc1ccc(F)cc1CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032652604 706622725 /nfs/dbraw/zinc/62/27/25/706622725.db2.gz TZIZMZSYBSJMDH-IRXDYDNUSA-N 1 2 339.374 1.448 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC001032143465 701914400 /nfs/dbraw/zinc/91/44/00/701914400.db2.gz XVGDCPYBUKQNPN-UHFFFAOYSA-N 1 2 332.791 1.750 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001032203942 701953682 /nfs/dbraw/zinc/95/36/82/701953682.db2.gz CSRXEWXNVIDGIE-HNNXBMFYSA-N 1 2 341.883 1.826 20 30 EDEDLO Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1 ZINC000941930355 702158732 /nfs/dbraw/zinc/15/87/32/702158732.db2.gz SBGFHNHROOEWQX-MFKMUULPSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nonc1C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1 ZINC000941930355 702158736 /nfs/dbraw/zinc/15/87/36/702158736.db2.gz SBGFHNHROOEWQX-MFKMUULPSA-N 1 2 328.376 1.218 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cscn2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966069 702261186 /nfs/dbraw/zinc/26/11/86/702261186.db2.gz GNQTVFHUIURRIO-FZMZJTMJSA-N 1 2 329.429 1.983 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cscn2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941966069 702261189 /nfs/dbraw/zinc/26/11/89/702261189.db2.gz GNQTVFHUIURRIO-FZMZJTMJSA-N 1 2 329.429 1.983 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000942216420 702731249 /nfs/dbraw/zinc/73/12/49/702731249.db2.gz MCICRBUNXKWHFS-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000942216420 702731250 /nfs/dbraw/zinc/73/12/50/702731250.db2.gz MCICRBUNXKWHFS-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000942216420 702731252 /nfs/dbraw/zinc/73/12/52/702731252.db2.gz MCICRBUNXKWHFS-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000942216420 702731253 /nfs/dbraw/zinc/73/12/53/702731253.db2.gz MCICRBUNXKWHFS-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000942363626 702862672 /nfs/dbraw/zinc/86/26/72/702862672.db2.gz VFSFNVFEDDJZQG-LSDHHAIUSA-N 1 2 342.443 1.519 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)no3)C[C@@H]2C)cc1 ZINC000942552159 703060906 /nfs/dbraw/zinc/06/09/06/703060906.db2.gz BTIWUGKFEATLRE-SUMWQHHRSA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)no3)C[C@@H]2C)cc1 ZINC000942552159 703060909 /nfs/dbraw/zinc/06/09/09/703060909.db2.gz BTIWUGKFEATLRE-SUMWQHHRSA-N 1 2 338.411 2.000 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3nc(N(C)C)no3)C[C@H]2C)C1 ZINC000942602216 703118815 /nfs/dbraw/zinc/11/88/15/703118815.db2.gz FTDDCWIAMSHJEE-KGLIPLIRSA-N 1 2 347.463 1.819 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3nc(N(C)C)no3)C[C@H]2C)C1 ZINC000942602216 703118818 /nfs/dbraw/zinc/11/88/18/703118818.db2.gz FTDDCWIAMSHJEE-KGLIPLIRSA-N 1 2 347.463 1.819 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(CC)n3)C[C@@H]2C)C1 ZINC000942602609 703119118 /nfs/dbraw/zinc/11/91/18/703119118.db2.gz LKVBBYLUQNOGLK-HOCLYGCPSA-N 1 2 331.464 1.981 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cnn(CC)n3)C[C@@H]2C)C1 ZINC000942602609 703119121 /nfs/dbraw/zinc/11/91/21/703119121.db2.gz LKVBBYLUQNOGLK-HOCLYGCPSA-N 1 2 331.464 1.981 20 30 EDEDLO Cc1cn(C)nc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032399002 703410080 /nfs/dbraw/zinc/41/00/80/703410080.db2.gz WATHIPGPMWBEOF-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO Cc1cn(C)nc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032399002 703410081 /nfs/dbraw/zinc/41/00/81/703410081.db2.gz WATHIPGPMWBEOF-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(F)CCOCC2)c1 ZINC001032436358 703604001 /nfs/dbraw/zinc/60/40/01/703604001.db2.gz ASRWVIJODOLTMR-IRXDYDNUSA-N 1 2 343.402 1.862 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(F)CCOCC2)c1 ZINC001032436358 703604003 /nfs/dbraw/zinc/60/40/03/703604003.db2.gz ASRWVIJODOLTMR-IRXDYDNUSA-N 1 2 343.402 1.862 20 30 EDEDLO Cc1cc(NC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)c(C#N)cn1 ZINC001060863103 703768445 /nfs/dbraw/zinc/76/84/45/703768445.db2.gz DOMUNURNCANCRU-AWEZNQCLSA-N 1 2 338.415 1.300 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033086151 704150877 /nfs/dbraw/zinc/15/08/77/704150877.db2.gz GCLBJTMCGHBVND-INMHGKMJSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033086151 704150879 /nfs/dbraw/zinc/15/08/79/704150879.db2.gz GCLBJTMCGHBVND-INMHGKMJSA-N 1 2 333.432 1.997 20 30 EDEDLO CC(C)c1nc(C[NH2+]C2CC(N(C)C(=O)c3ccc(C#N)[nH]3)C2)no1 ZINC000998645127 706078052 /nfs/dbraw/zinc/07/80/52/706078052.db2.gz JCFLRQQZHBQVDQ-UHFFFAOYSA-N 1 2 342.403 1.786 20 30 EDEDLO CO[C@@H](C)c1noc(C[NH2+][C@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999131057 706566032 /nfs/dbraw/zinc/56/60/32/706566032.db2.gz ZDXBGPDTKPXWLY-JSGCOSHPSA-N 1 2 332.404 1.271 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000999360081 706850576 /nfs/dbraw/zinc/85/05/76/706850576.db2.gz ZZBRRSWHZSFWPV-UGSOOPFHSA-N 1 2 330.432 1.759 20 30 EDEDLO C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001061615560 707198207 /nfs/dbraw/zinc/19/82/07/707198207.db2.gz QFEOFUFVGOUQQK-OAHLLOKOSA-N 1 2 348.447 1.288 20 30 EDEDLO C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001061615560 707198209 /nfs/dbraw/zinc/19/82/09/707198209.db2.gz QFEOFUFVGOUQQK-OAHLLOKOSA-N 1 2 348.447 1.288 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001005058964 707251199 /nfs/dbraw/zinc/25/11/99/707251199.db2.gz WPPFAVVUWXFAAS-DZGCQCFKSA-N 1 2 332.448 1.528 20 30 EDEDLO C[C@@H]([NH2+]Cc1cnsn1)[C@@H]1CCCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001004806407 707310951 /nfs/dbraw/zinc/31/09/51/707310951.db2.gz FFICMWSNIZWSNE-ABAIWWIYSA-N 1 2 344.444 1.911 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001033336367 707595156 /nfs/dbraw/zinc/59/51/56/707595156.db2.gz QZHILNWVEHFWEC-RYUDHWBXSA-N 1 2 344.253 1.049 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001033336367 707595158 /nfs/dbraw/zinc/59/51/58/707595158.db2.gz QZHILNWVEHFWEC-RYUDHWBXSA-N 1 2 344.253 1.049 20 30 EDEDLO CN(C(=O)[C@]1(F)CCOC1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033362154 707649058 /nfs/dbraw/zinc/64/90/58/707649058.db2.gz QDHSTJWSPKOLCP-MJGOQNOKSA-N 1 2 348.393 1.839 20 30 EDEDLO CN(C(=O)[C@]1(F)CCOC1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033362154 707649061 /nfs/dbraw/zinc/64/90/61/707649061.db2.gz QDHSTJWSPKOLCP-MJGOQNOKSA-N 1 2 348.393 1.839 20 30 EDEDLO C=C1CCC(C(=O)N2CCCC[C@H]2[C@H](C)[NH2+]Cc2nnn(C)n2)CC1 ZINC001004938788 707707076 /nfs/dbraw/zinc/70/70/76/707707076.db2.gz SZTRYLMSMOUUAC-HOCLYGCPSA-N 1 2 346.479 1.816 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2nnn(CC)c2CC)C1 ZINC001033410836 707774680 /nfs/dbraw/zinc/77/46/80/707774680.db2.gz TVNGBTZOTRENKG-GFCCVEGCSA-N 1 2 325.844 1.759 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(CC)c2CC)C1 ZINC001033410836 707774681 /nfs/dbraw/zinc/77/46/81/707774681.db2.gz TVNGBTZOTRENKG-GFCCVEGCSA-N 1 2 325.844 1.759 20 30 EDEDLO Cc1cc(C#N)nc(NC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC001060955606 708047189 /nfs/dbraw/zinc/04/71/89/708047189.db2.gz UXHNTANHDYLKCX-AWEZNQCLSA-N 1 2 339.403 1.204 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](N(C)C(=O)c2cnon2)C1 ZINC001033528950 708148249 /nfs/dbraw/zinc/14/82/49/708148249.db2.gz ZIDVTJSVYYKZTI-AWEZNQCLSA-N 1 2 341.371 1.296 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](N(C)C(=O)c2cnon2)C1 ZINC001033528950 708148250 /nfs/dbraw/zinc/14/82/50/708148250.db2.gz ZIDVTJSVYYKZTI-AWEZNQCLSA-N 1 2 341.371 1.296 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CNc2ncccc2C#N)C1 ZINC001061004718 708151076 /nfs/dbraw/zinc/15/10/76/708151076.db2.gz RMKAESJGBZYPBD-KBPBESRZSA-N 1 2 338.415 1.816 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CNc2ncccc2C#N)C1 ZINC001061004718 708151078 /nfs/dbraw/zinc/15/10/78/708151078.db2.gz RMKAESJGBZYPBD-KBPBESRZSA-N 1 2 338.415 1.816 20 30 EDEDLO CN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033571594 708275825 /nfs/dbraw/zinc/27/58/25/708275825.db2.gz STAITJZZICLTNJ-AWEZNQCLSA-N 1 2 342.378 1.091 20 30 EDEDLO CN(C(=O)Cc1nnc[nH]1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033571594 708275827 /nfs/dbraw/zinc/27/58/27/708275827.db2.gz STAITJZZICLTNJ-AWEZNQCLSA-N 1 2 342.378 1.091 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnn(CC)n2)CC1 ZINC001001846071 708350612 /nfs/dbraw/zinc/35/06/12/708350612.db2.gz VBZCWAYVPAAOGN-SJORKVTESA-N 1 2 347.463 1.217 20 30 EDEDLO N#Cc1cc(C[NH+]2CCC(CNC(=O)c3ncn[nH]3)CC2)ccc1F ZINC001001952499 708453786 /nfs/dbraw/zinc/45/37/86/708453786.db2.gz GPKMNXDALDEDHU-UHFFFAOYSA-N 1 2 342.378 1.457 20 30 EDEDLO N#Cc1cc(C[NH+]2CCC(CNC(=O)c3nc[nH]n3)CC2)ccc1F ZINC001001952499 708453789 /nfs/dbraw/zinc/45/37/89/708453789.db2.gz GPKMNXDALDEDHU-UHFFFAOYSA-N 1 2 342.378 1.457 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001033668045 708456283 /nfs/dbraw/zinc/45/62/83/708456283.db2.gz DPPQAOGEIICZFA-GJZGRUSLSA-N 1 2 341.883 1.919 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)C)C1 ZINC001033668045 708456286 /nfs/dbraw/zinc/45/62/86/708456286.db2.gz DPPQAOGEIICZFA-GJZGRUSLSA-N 1 2 341.883 1.919 20 30 EDEDLO N#Cc1nccc(N2CC[C@@H](CNC(=O)c3cccc4[nH+]ccn43)C2)n1 ZINC001061680295 708467105 /nfs/dbraw/zinc/46/71/05/708467105.db2.gz KYNSSLSFAJISRM-ZDUSSCGKSA-N 1 2 347.382 1.252 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001033683057 708494607 /nfs/dbraw/zinc/49/46/07/708494607.db2.gz SFKFSUDMPSWZBC-JKSUJKDBSA-N 1 2 341.883 1.382 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001033683057 708494610 /nfs/dbraw/zinc/49/46/10/708494610.db2.gz SFKFSUDMPSWZBC-JKSUJKDBSA-N 1 2 341.883 1.382 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3cnon3)CC2)nc1 ZINC001002054720 708586660 /nfs/dbraw/zinc/58/66/60/708586660.db2.gz HTLUKSOYKQQEHY-UHFFFAOYSA-N 1 2 325.372 1.088 20 30 EDEDLO CC#CCCCC(=O)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001061091375 708982997 /nfs/dbraw/zinc/98/29/97/708982997.db2.gz WXVMUFNXVXWKKF-UHFFFAOYSA-N 1 2 342.443 1.528 20 30 EDEDLO CCN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033887986 708997429 /nfs/dbraw/zinc/99/74/29/708997429.db2.gz MHMOWTRSOWWDNC-INIZCTEOSA-N 1 2 341.390 1.532 20 30 EDEDLO CCN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033887986 708997431 /nfs/dbraw/zinc/99/74/31/708997431.db2.gz MHMOWTRSOWWDNC-INIZCTEOSA-N 1 2 341.390 1.532 20 30 EDEDLO Cc1cc(C#N)nc(N[C@@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001061095931 709017384 /nfs/dbraw/zinc/01/73/84/709017384.db2.gz PEVGGGNYWMNKPP-ZIAGYGMSSA-N 1 2 339.403 1.393 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001033953339 709133998 /nfs/dbraw/zinc/13/39/98/709133998.db2.gz CBZAONVSNGWLLT-MCIONIFRSA-N 1 2 327.856 1.386 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001033953339 709134000 /nfs/dbraw/zinc/13/40/00/709134000.db2.gz CBZAONVSNGWLLT-MCIONIFRSA-N 1 2 327.856 1.386 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](N(CC)C(=O)c3nccs3)C2)C1=O ZINC001033997522 709208085 /nfs/dbraw/zinc/20/80/85/709208085.db2.gz CNFILSIOXIVLAP-KBPBESRZSA-N 1 2 348.472 1.466 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](N(CC)C(=O)c3nccs3)C2)C1=O ZINC001033997522 709208088 /nfs/dbraw/zinc/20/80/88/709208088.db2.gz CNFILSIOXIVLAP-KBPBESRZSA-N 1 2 348.472 1.466 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001034104084 709363767 /nfs/dbraw/zinc/36/37/67/709363767.db2.gz IZRSJRRKKNOBPV-STQMWFEESA-N 1 2 347.253 1.281 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001034104084 709363769 /nfs/dbraw/zinc/36/37/69/709363769.db2.gz IZRSJRRKKNOBPV-STQMWFEESA-N 1 2 347.253 1.281 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cn(C(C)(C)C)nn2)CC1 ZINC001002969951 709693438 /nfs/dbraw/zinc/69/34/38/709693438.db2.gz KCOWMTAVUSXSSC-UHFFFAOYSA-N 1 2 325.844 1.980 20 30 EDEDLO Cc1nsc(N(C)[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c1C#N ZINC001061216804 709751876 /nfs/dbraw/zinc/75/18/76/709751876.db2.gz BNAPBMQAGOVQQR-CYBMUJFWSA-N 1 2 344.444 1.647 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001061765188 710306670 /nfs/dbraw/zinc/30/66/70/710306670.db2.gz HVFZKASGHPZRMX-OAHLLOKOSA-N 1 2 348.447 1.053 20 30 EDEDLO CN(c1ccncc1C#N)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001061281337 710422514 /nfs/dbraw/zinc/42/25/14/710422514.db2.gz WDWVEKOMCJSABY-INIZCTEOSA-N 1 2 338.415 1.736 20 30 EDEDLO CN(c1ccncc1C#N)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001061281337 710422515 /nfs/dbraw/zinc/42/25/15/710422515.db2.gz WDWVEKOMCJSABY-INIZCTEOSA-N 1 2 338.415 1.736 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ncc(CC)o2)CC1 ZINC001003648960 710472039 /nfs/dbraw/zinc/47/20/39/710472039.db2.gz CDYIHTQSEVKFAH-CVEARBPZSA-N 1 2 333.432 1.909 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032929674 710847283 /nfs/dbraw/zinc/84/72/83/710847283.db2.gz AYZMSZPKAPRZRX-CYBMUJFWSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1cnsn1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032929674 710847287 /nfs/dbraw/zinc/84/72/87/710847287.db2.gz AYZMSZPKAPRZRX-CYBMUJFWSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1ccnn1C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032946199 710927392 /nfs/dbraw/zinc/92/73/92/710927392.db2.gz URHWWYKKPRDMNN-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1ccnn1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001032946199 710927395 /nfs/dbraw/zinc/92/73/95/710927395.db2.gz URHWWYKKPRDMNN-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1cn(C)cn1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033008744 711227783 /nfs/dbraw/zinc/22/77/83/711227783.db2.gz IRALWBSBLWYONE-OAHLLOKOSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1cn(C)cn1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033008744 711227786 /nfs/dbraw/zinc/22/77/86/711227786.db2.gz IRALWBSBLWYONE-OAHLLOKOSA-N 1 2 341.390 1.777 20 30 EDEDLO Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)oc1C ZINC001033021131 711323153 /nfs/dbraw/zinc/32/31/53/711323153.db2.gz WEIOYRLXMARZCP-HNNXBMFYSA-N 1 2 327.388 1.838 20 30 EDEDLO Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)oc1C ZINC001033021131 711323155 /nfs/dbraw/zinc/32/31/55/711323155.db2.gz WEIOYRLXMARZCP-HNNXBMFYSA-N 1 2 327.388 1.838 20 30 EDEDLO C=CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001061410326 711574073 /nfs/dbraw/zinc/57/40/73/711574073.db2.gz OFLAXJBNQOYSHS-UONOGXRCSA-N 1 2 346.431 1.139 20 30 EDEDLO N#CCN1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004473869 711850481 /nfs/dbraw/zinc/85/04/81/711850481.db2.gz MUHWATQZDBDSPG-FUHWJXTLSA-N 1 2 341.459 1.672 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccoc2CC(N)=O)CC1 ZINC001004522055 711920858 /nfs/dbraw/zinc/92/08/58/711920858.db2.gz JBEXWUSYJJXLEC-OAHLLOKOSA-N 1 2 344.415 1.148 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccoc2CC(N)=O)CC1 ZINC001004522055 711920859 /nfs/dbraw/zinc/92/08/59/711920859.db2.gz JBEXWUSYJJXLEC-OAHLLOKOSA-N 1 2 344.415 1.148 20 30 EDEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001033145887 712023780 /nfs/dbraw/zinc/02/37/80/712023780.db2.gz LKHZLQVTHMRQIZ-CQSZACIVSA-N 1 2 328.420 1.149 20 30 EDEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001033145887 712023782 /nfs/dbraw/zinc/02/37/82/712023782.db2.gz LKHZLQVTHMRQIZ-CQSZACIVSA-N 1 2 328.420 1.149 20 30 EDEDLO CC(=O)N1CC[C@@](C)(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004596593 712037887 /nfs/dbraw/zinc/03/78/87/712037887.db2.gz NKXZIJULPMEHNM-IEBWSBKVSA-N 1 2 346.475 1.471 20 30 EDEDLO CC(=O)N1CC[C@@](C)(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004596593 712037888 /nfs/dbraw/zinc/03/78/88/712037888.db2.gz NKXZIJULPMEHNM-IEBWSBKVSA-N 1 2 346.475 1.471 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000558723606 306246002 /nfs/dbraw/zinc/24/60/02/306246002.db2.gz RQBQPHYTTUVTIL-ZDUSSCGKSA-N 1 2 333.413 1.628 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000558723606 306246003 /nfs/dbraw/zinc/24/60/03/306246003.db2.gz RQBQPHYTTUVTIL-ZDUSSCGKSA-N 1 2 333.413 1.628 20 30 EDEDLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000328813302 539368743 /nfs/dbraw/zinc/36/87/43/539368743.db2.gz BSJNOSUHFGRXAR-MELADBBJSA-N 1 2 343.493 1.611 20 30 EDEDLO CCC(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000328904066 539376767 /nfs/dbraw/zinc/37/67/67/539376767.db2.gz ITMBEIMITLSEKB-GFCCVEGCSA-N 1 2 329.466 1.365 20 30 EDEDLO CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000329124684 539412696 /nfs/dbraw/zinc/41/26/96/539412696.db2.gz XSCLQODDGDLCQS-JHJVBQTASA-N 1 2 329.466 1.364 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC2(C1)CCCOC2)C1CCOCC1 ZINC000329318766 539428106 /nfs/dbraw/zinc/42/81/06/539428106.db2.gz IHHJSWYOXRRXMI-OAHLLOKOSA-N 1 2 348.447 1.914 20 30 EDEDLO O=C(CNC(=O)N1CCn2cc[nH+]c2C1)N1CCCc2ccccc21 ZINC000329831784 539467606 /nfs/dbraw/zinc/46/76/06/539467606.db2.gz KEOSQHGGJKKNQZ-UHFFFAOYSA-N 1 2 339.399 1.592 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C)nn(C)c2C)C[C@]2(CCOC2)O1 ZINC000330088597 539495205 /nfs/dbraw/zinc/49/52/05/539495205.db2.gz UYMAQCMVOMYJRX-PBHICJAKSA-N 1 2 336.436 1.895 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C)nn(C)c2C)C[C@]2(CCOC2)O1 ZINC000330088597 539495210 /nfs/dbraw/zinc/49/52/10/539495210.db2.gz UYMAQCMVOMYJRX-PBHICJAKSA-N 1 2 336.436 1.895 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000330201074 539508989 /nfs/dbraw/zinc/50/89/89/539508989.db2.gz XGBPVRNGEJVQHA-WBMJQRKESA-N 1 2 345.428 1.730 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000330201073 539509007 /nfs/dbraw/zinc/50/90/07/539509007.db2.gz XGBPVRNGEJVQHA-MLGOLLRUSA-N 1 2 345.428 1.730 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)cn1 ZINC000342710487 282637709 /nfs/dbraw/zinc/63/77/09/282637709.db2.gz SGNPAAPWTXRHLX-UHFFFAOYSA-N 1 2 326.360 1.522 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000090202445 138278135 /nfs/dbraw/zinc/27/81/35/138278135.db2.gz ZDPDNFYKGVOFDE-IAGOWNOFSA-N 1 2 349.456 1.231 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000090202445 138278136 /nfs/dbraw/zinc/27/81/36/138278136.db2.gz ZDPDNFYKGVOFDE-IAGOWNOFSA-N 1 2 349.456 1.231 20 30 EDEDLO N#Cc1ccc(OCC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000110954663 138307473 /nfs/dbraw/zinc/30/74/73/138307473.db2.gz VGWNYQIEJLBWKY-QGZVFWFLSA-N 1 2 343.427 1.650 20 30 EDEDLO Cc1cccc(C[NH+]2CCN(C(=O)C3(C#N)CCOCC3)CC2)c1 ZINC000109138469 237106249 /nfs/dbraw/zinc/10/62/49/237106249.db2.gz WQEITNPIVDNCEB-UHFFFAOYSA-N 1 2 327.428 1.960 20 30 EDEDLO N#C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCO1 ZINC000106330236 237085776 /nfs/dbraw/zinc/08/57/76/237085776.db2.gz OGDUXKGAHGWNNH-HNNXBMFYSA-N 1 2 329.404 1.506 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000112887859 237125571 /nfs/dbraw/zinc/12/55/71/237125571.db2.gz WWGKVQJRGHMZCZ-SJORKVTESA-N 1 2 337.464 1.656 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000022195891 212281355 /nfs/dbraw/zinc/28/13/55/212281355.db2.gz MRIYNJZBXIWANX-GFCCVEGCSA-N 1 2 343.387 1.256 20 30 EDEDLO CCOCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000078655430 217095916 /nfs/dbraw/zinc/09/59/16/217095916.db2.gz RKGAMQKESSQJSP-OAHLLOKOSA-N 1 2 345.447 1.007 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000247026690 139132048 /nfs/dbraw/zinc/13/20/48/139132048.db2.gz SVMWFVQDCFEEHQ-QAPCUYQASA-N 1 2 328.368 1.964 20 30 EDEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000247026690 139132049 /nfs/dbraw/zinc/13/20/49/139132049.db2.gz SVMWFVQDCFEEHQ-QAPCUYQASA-N 1 2 328.368 1.964 20 30 EDEDLO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000247819155 139155201 /nfs/dbraw/zinc/15/52/01/139155201.db2.gz FSJILRPAJPKUNG-INIZCTEOSA-N 1 2 341.459 1.722 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000341867307 250003240 /nfs/dbraw/zinc/00/32/40/250003240.db2.gz JYVCUBZAZIAHHW-ZBFHGGJFSA-N 1 2 348.447 1.291 20 30 EDEDLO CSC[C@@](C)(C#N)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000345091847 250024979 /nfs/dbraw/zinc/02/49/79/250024979.db2.gz KJPALXQRZJIEGF-DOTOQJQBSA-N 1 2 333.457 1.649 20 30 EDEDLO CSC[C@@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000345091847 250024982 /nfs/dbraw/zinc/02/49/82/250024982.db2.gz KJPALXQRZJIEGF-DOTOQJQBSA-N 1 2 333.457 1.649 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355119835 250106917 /nfs/dbraw/zinc/10/69/17/250106917.db2.gz DDLXGMUEGFNXDF-HNNXBMFYSA-N 1 2 340.431 1.083 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)NCC(C)(C)C#N)C1 ZINC000358633301 250141215 /nfs/dbraw/zinc/14/12/15/250141215.db2.gz KLEQEUKJOQTMJN-CYBMUJFWSA-N 1 2 331.420 1.860 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000361115453 250171479 /nfs/dbraw/zinc/17/14/79/250171479.db2.gz KUNMIQCUSIQDOX-CABCVRRESA-N 1 2 335.835 1.846 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000361115453 250171482 /nfs/dbraw/zinc/17/14/82/250171482.db2.gz KUNMIQCUSIQDOX-CABCVRRESA-N 1 2 335.835 1.846 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000361496104 250175703 /nfs/dbraw/zinc/17/57/03/250175703.db2.gz JBIIRTLSHLDVOD-UHFFFAOYSA-N 1 2 345.491 1.346 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000361496104 250175707 /nfs/dbraw/zinc/17/57/07/250175707.db2.gz JBIIRTLSHLDVOD-UHFFFAOYSA-N 1 2 345.491 1.346 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)c1ccccc1 ZINC000372736977 250225146 /nfs/dbraw/zinc/22/51/46/250225146.db2.gz HOEHHHKNXBKUQU-LESCRADOSA-N 1 2 340.427 1.519 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)c1ccccc1 ZINC000372736977 250225151 /nfs/dbraw/zinc/22/51/51/250225151.db2.gz HOEHHHKNXBKUQU-LESCRADOSA-N 1 2 340.427 1.519 20 30 EDEDLO Cc1cccnc1OC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000377733810 250293115 /nfs/dbraw/zinc/29/31/15/250293115.db2.gz YKJZGYQDGRQWTD-UHFFFAOYSA-N 1 2 328.416 1.796 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(C)nc2Br)CC1 ZINC000270030619 533051772 /nfs/dbraw/zinc/05/17/72/533051772.db2.gz HQZFHVDCISEBPQ-UHFFFAOYSA-N 1 2 336.233 1.934 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000272807606 533054041 /nfs/dbraw/zinc/05/40/41/533054041.db2.gz MNXUYMZBAGWNAV-UHFFFAOYSA-N 1 2 347.362 1.430 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc(C(=O)OC)s3)CC2)C1=O ZINC000459513066 254982929 /nfs/dbraw/zinc/98/29/29/254982929.db2.gz OKICIYZWVYSFGL-CYBMUJFWSA-N 1 2 349.456 1.444 20 30 EDEDLO C=CCn1cccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000488601661 255046461 /nfs/dbraw/zinc/04/64/61/255046461.db2.gz XXUCHGNSFVPVPP-UHFFFAOYSA-N 1 2 326.400 1.836 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cnc(-c3ccccc3)cn2)CC1 ZINC000487912584 255039608 /nfs/dbraw/zinc/03/96/08/255039608.db2.gz MOSNUUIQTCTZCK-UHFFFAOYSA-N 1 2 337.427 1.568 20 30 EDEDLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000490615818 255094866 /nfs/dbraw/zinc/09/48/66/255094866.db2.gz GCGPGCZMWXIKPB-JJRVBVJISA-N 1 2 338.452 1.640 20 30 EDEDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000490615818 255094868 /nfs/dbraw/zinc/09/48/68/255094868.db2.gz GCGPGCZMWXIKPB-JJRVBVJISA-N 1 2 338.452 1.640 20 30 EDEDLO C#CC[NH+]1CCN(Cn2cc(C(=O)OCC)c(C(F)(F)F)n2)CC1 ZINC000490634985 255096744 /nfs/dbraw/zinc/09/67/44/255096744.db2.gz BNIJOLVBLXIDNA-UHFFFAOYSA-N 1 2 344.337 1.287 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2=C(C)CC(C)(C)CC2)CC1 ZINC000491728286 255145929 /nfs/dbraw/zinc/14/59/29/255145929.db2.gz IMWLIFQITOBOEG-UHFFFAOYSA-N 1 2 345.487 1.797 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2=C(C)CC(C)(C)CC2)CC1 ZINC000491728286 255145930 /nfs/dbraw/zinc/14/59/30/255145930.db2.gz IMWLIFQITOBOEG-UHFFFAOYSA-N 1 2 345.487 1.797 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(C)(C)C ZINC000491812766 255149190 /nfs/dbraw/zinc/14/91/90/255149190.db2.gz GCUYKZSUVIXZMQ-WMLDXEAASA-N 1 2 339.505 1.541 20 30 EDEDLO CC#CCCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495518391 255293066 /nfs/dbraw/zinc/29/30/66/255293066.db2.gz YRDMFRFFBOPVBC-AWEZNQCLSA-N 1 2 338.452 1.250 20 30 EDEDLO CC#CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495518391 255293067 /nfs/dbraw/zinc/29/30/67/255293067.db2.gz YRDMFRFFBOPVBC-AWEZNQCLSA-N 1 2 338.452 1.250 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)CCn2cccn2)cn1 ZINC000328655357 258019225 /nfs/dbraw/zinc/01/92/25/258019225.db2.gz YFVTYZHISCEZRT-GJZGRUSLSA-N 1 2 334.399 1.576 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)CCn2cccn2)cn1 ZINC000328655357 258019226 /nfs/dbraw/zinc/01/92/26/258019226.db2.gz YFVTYZHISCEZRT-GJZGRUSLSA-N 1 2 334.399 1.576 20 30 EDEDLO C#Cc1ccc(CNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000296921698 533339526 /nfs/dbraw/zinc/33/95/26/533339526.db2.gz PPAZGJCCHPQJAZ-QGZVFWFLSA-N 1 2 337.427 1.600 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000153385323 533499886 /nfs/dbraw/zinc/49/98/86/533499886.db2.gz LUFJNVXPIMHULO-CYBMUJFWSA-N 1 2 328.372 1.595 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@]3(O)CCSC3)CC2)cc1 ZINC000270836118 140179536 /nfs/dbraw/zinc/17/95/36/140179536.db2.gz VHTYQGNAMQQCJV-QGZVFWFLSA-N 1 2 331.441 1.070 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000333717899 141364867 /nfs/dbraw/zinc/36/48/67/141364867.db2.gz QXUZTYWBDXROFY-QGZVFWFLSA-N 1 2 334.441 1.968 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000333717899 141364869 /nfs/dbraw/zinc/36/48/69/141364869.db2.gz QXUZTYWBDXROFY-QGZVFWFLSA-N 1 2 334.441 1.968 20 30 EDEDLO Cc1ccn2cc(CNC(=O)C(=O)Nc3ccc(C#N)cn3)[nH+]c2c1 ZINC000339944474 142208067 /nfs/dbraw/zinc/20/80/67/142208067.db2.gz OQQBCRKPULTSLB-UHFFFAOYSA-N 1 2 334.339 1.164 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C[C@@H]1C ZINC000346304985 143189428 /nfs/dbraw/zinc/18/94/28/143189428.db2.gz DBPNUJNKJKJTNK-QWRGUYRKSA-N 1 2 334.445 1.935 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C[C@@H]1C ZINC000346304985 143189429 /nfs/dbraw/zinc/18/94/29/143189429.db2.gz DBPNUJNKJKJTNK-QWRGUYRKSA-N 1 2 334.445 1.935 20 30 EDEDLO C[C@H](c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1)n1cnc(C#N)n1 ZINC000346902152 143258359 /nfs/dbraw/zinc/25/83/59/143258359.db2.gz SVJXYCBJDAWGRN-IJLUTSLNSA-N 1 2 329.364 1.068 20 30 EDEDLO C[C@H](c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1)n1cnc(C#N)n1 ZINC000346902152 143258360 /nfs/dbraw/zinc/25/83/60/143258360.db2.gz SVJXYCBJDAWGRN-IJLUTSLNSA-N 1 2 329.364 1.068 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000352903522 149210972 /nfs/dbraw/zinc/21/09/72/149210972.db2.gz VOBDAAUDASZYGU-CQSZACIVSA-N 1 2 328.416 1.567 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000352903522 149210974 /nfs/dbraw/zinc/21/09/74/149210974.db2.gz VOBDAAUDASZYGU-CQSZACIVSA-N 1 2 328.416 1.567 20 30 EDEDLO Cc1ccc(CNC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000355130931 150130713 /nfs/dbraw/zinc/13/07/13/150130713.db2.gz UHFWQLHDJVCISP-UHFFFAOYSA-N 1 2 349.438 1.700 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000574220049 306644889 /nfs/dbraw/zinc/64/48/89/306644889.db2.gz GGMIKBDVHUFZEH-CYBMUJFWSA-N 1 2 334.376 1.328 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000363925515 153098665 /nfs/dbraw/zinc/09/86/65/153098665.db2.gz PZRRSVDRJYCXOT-SPYBWZPUSA-N 1 2 343.427 1.443 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000363925515 153098667 /nfs/dbraw/zinc/09/86/67/153098667.db2.gz PZRRSVDRJYCXOT-SPYBWZPUSA-N 1 2 343.427 1.443 20 30 EDEDLO CCOC(=O)[C@H]1CCCCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000372006804 156207157 /nfs/dbraw/zinc/20/71/57/156207157.db2.gz OBULFEMIOVDKHM-QGZVFWFLSA-N 1 2 343.427 1.982 20 30 EDEDLO CCOC(=O)[C@H]1CCCCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000372006804 156207160 /nfs/dbraw/zinc/20/71/60/156207160.db2.gz OBULFEMIOVDKHM-QGZVFWFLSA-N 1 2 343.427 1.982 20 30 EDEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)cc1OC ZINC000451937735 287190495 /nfs/dbraw/zinc/19/04/95/287190495.db2.gz VNLJIMPMXPHFLW-CQSZACIVSA-N 1 2 337.445 1.672 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)cc1OC ZINC000451937735 287190499 /nfs/dbraw/zinc/19/04/99/287190499.db2.gz VNLJIMPMXPHFLW-CQSZACIVSA-N 1 2 337.445 1.672 20 30 EDEDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000330641575 287245528 /nfs/dbraw/zinc/24/55/28/287245528.db2.gz IPNHCBKAUAMPGD-GVDBMIGSSA-N 1 2 336.480 1.178 20 30 EDEDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000330641575 287245530 /nfs/dbraw/zinc/24/55/30/287245530.db2.gz IPNHCBKAUAMPGD-GVDBMIGSSA-N 1 2 336.480 1.178 20 30 EDEDLO Cc1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c(C)c[nH+]1 ZINC000534325217 270016227 /nfs/dbraw/zinc/01/62/27/270016227.db2.gz QPNBMHHNFRYNFK-UHFFFAOYSA-N 1 2 336.399 1.741 20 30 EDEDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000344477797 266109913 /nfs/dbraw/zinc/10/99/13/266109913.db2.gz ASSPYWXFPOEWOY-KRWDZBQOSA-N 1 2 342.443 1.507 20 30 EDEDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000344477797 266109919 /nfs/dbraw/zinc/10/99/19/266109919.db2.gz ASSPYWXFPOEWOY-KRWDZBQOSA-N 1 2 342.443 1.507 20 30 EDEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2cncc(C#N)c2)c[nH+]1 ZINC000289666973 266121465 /nfs/dbraw/zinc/12/14/65/266121465.db2.gz FQMRVBZAJLKIKK-UHFFFAOYSA-N 1 2 345.428 1.673 20 30 EDEDLO CCNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301610711 266163324 /nfs/dbraw/zinc/16/33/24/266163324.db2.gz CUHYLGVZYGUCCG-UHFFFAOYSA-N 1 2 340.349 1.835 20 30 EDEDLO COCC[C@@H]1COCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000291299533 266708037 /nfs/dbraw/zinc/70/80/37/266708037.db2.gz RYCMAWUBRILURA-MSOLQXFVSA-N 1 2 343.427 1.791 20 30 EDEDLO COCC[C@@H]1COCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000291299533 266708039 /nfs/dbraw/zinc/70/80/39/266708039.db2.gz RYCMAWUBRILURA-MSOLQXFVSA-N 1 2 343.427 1.791 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H](C)[N@H+]1C ZINC000293743918 267059882 /nfs/dbraw/zinc/05/98/82/267059882.db2.gz HXJDCRKONTUUJS-PHIMTYICSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H](C)[N@@H+]1C ZINC000293743918 267059886 /nfs/dbraw/zinc/05/98/86/267059886.db2.gz HXJDCRKONTUUJS-PHIMTYICSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1cccc(C#N)c1 ZINC000286729150 267079040 /nfs/dbraw/zinc/07/90/40/267079040.db2.gz STAKWPRKWLOBPT-RHSMWYFYSA-N 1 2 328.416 1.563 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000279584947 267156986 /nfs/dbraw/zinc/15/69/86/267156986.db2.gz UTCYCGUQIULIST-HUUCEWRRSA-N 1 2 330.432 1.981 20 30 EDEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000492448413 267255276 /nfs/dbraw/zinc/25/52/76/267255276.db2.gz MMPARMWPRFOPTG-AATRIKPKSA-N 1 2 336.399 1.532 20 30 EDEDLO COC(=O)C1([NH2+]CCC(=O)Nc2ccc(C#N)cc2)CCOCC1 ZINC000451770048 267357671 /nfs/dbraw/zinc/35/76/71/267357671.db2.gz NIDYXCDQRJLUFO-UHFFFAOYSA-N 1 2 331.372 1.199 20 30 EDEDLO COC(=O)Cn1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nn1 ZINC000449042924 267368407 /nfs/dbraw/zinc/36/84/07/267368407.db2.gz VFFTWIILYOJTSZ-UHFFFAOYSA-N 1 2 337.383 1.612 20 30 EDEDLO COC(=O)Cn1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nn1 ZINC000449042924 267368408 /nfs/dbraw/zinc/36/84/08/267368408.db2.gz VFFTWIILYOJTSZ-UHFFFAOYSA-N 1 2 337.383 1.612 20 30 EDEDLO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCc3[nH]cc[nH+]3)C2)n1 ZINC000471949791 268027943 /nfs/dbraw/zinc/02/79/43/268027943.db2.gz YMOUVUDXPHWSCX-HNNXBMFYSA-N 1 2 338.415 1.560 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3coc(C(N)=O)c3)CC2)cc1 ZINC000273495383 268051706 /nfs/dbraw/zinc/05/17/06/268051706.db2.gz NHNKGRAEJQRUQX-UHFFFAOYSA-N 1 2 338.367 1.208 20 30 EDEDLO Cc1ncc(S(=O)(=O)NC[C@H]2CCCn3cc[nH+]c32)cc1C#N ZINC000515578409 268085540 /nfs/dbraw/zinc/08/55/40/268085540.db2.gz YNCBLBRONBZQEA-GFCCVEGCSA-N 1 2 331.401 1.314 20 30 EDEDLO Cc1nn(C)c(N2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)c1C#N ZINC000530359606 268091533 /nfs/dbraw/zinc/09/15/33/268091533.db2.gz HFZZNAGCQPWGIQ-UHFFFAOYSA-N 1 2 337.431 1.903 20 30 EDEDLO Cc1noc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2C#N)n1 ZINC000528505457 268100175 /nfs/dbraw/zinc/10/01/75/268100175.db2.gz OIEITPSXZFELPN-LSDHHAIUSA-N 1 2 328.372 1.827 20 30 EDEDLO Cc1noc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2C#N)n1 ZINC000528505457 268100177 /nfs/dbraw/zinc/10/01/77/268100177.db2.gz OIEITPSXZFELPN-LSDHHAIUSA-N 1 2 328.372 1.827 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(C#N)c1C ZINC000425504784 268104191 /nfs/dbraw/zinc/10/41/91/268104191.db2.gz XEVJCYVQAMWRCC-ZDUSSCGKSA-N 1 2 328.376 1.635 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](n3ccnn3)C2)c(C#N)c1C ZINC000425504784 268104193 /nfs/dbraw/zinc/10/41/93/268104193.db2.gz XEVJCYVQAMWRCC-ZDUSSCGKSA-N 1 2 328.376 1.635 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)nn1 ZINC000302000520 268118796 /nfs/dbraw/zinc/11/87/96/268118796.db2.gz QCVUFBIDURYISZ-UHFFFAOYSA-N 1 2 345.410 1.856 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3nncs3)CC2)cc1 ZINC000530182948 268217568 /nfs/dbraw/zinc/21/75/68/268217568.db2.gz FTJAEDBKILQBEH-UHFFFAOYSA-N 1 2 327.413 1.758 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3nncs3)CC2)cc1 ZINC000530182948 268217570 /nfs/dbraw/zinc/21/75/70/268217570.db2.gz FTJAEDBKILQBEH-UHFFFAOYSA-N 1 2 327.413 1.758 20 30 EDEDLO CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H](C)C1 ZINC000352598185 276385529 /nfs/dbraw/zinc/38/55/29/276385529.db2.gz VVDKSJSPITWGHM-LLVKDONJSA-N 1 2 327.837 1.926 20 30 EDEDLO CC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H](C)C1 ZINC000352598185 276385532 /nfs/dbraw/zinc/38/55/32/276385532.db2.gz VVDKSJSPITWGHM-LLVKDONJSA-N 1 2 327.837 1.926 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000348048701 301074336 /nfs/dbraw/zinc/07/43/36/301074336.db2.gz NOCBBQATOCGMHX-UHFFFAOYSA-N 1 2 328.353 1.409 20 30 EDEDLO N#Cc1ccc(CSCC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000456215079 447331719 /nfs/dbraw/zinc/33/17/19/447331719.db2.gz LQEMAIMNZANVNT-CALCHBBNSA-N 1 2 345.468 1.771 20 30 EDEDLO N#Cc1ccc(CSCC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000456215079 447331725 /nfs/dbraw/zinc/33/17/25/447331725.db2.gz LQEMAIMNZANVNT-CALCHBBNSA-N 1 2 345.468 1.771 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000422085819 447339792 /nfs/dbraw/zinc/33/97/92/447339792.db2.gz DCWXINFRIGKSQV-WBVHZDCISA-N 1 2 340.427 1.691 20 30 EDEDLO COc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C#N)n2C)CC1 ZINC000448898702 447354842 /nfs/dbraw/zinc/35/48/42/447354842.db2.gz JWPHWOMLCMANCR-UHFFFAOYSA-N 1 2 338.411 1.863 20 30 EDEDLO N#Cc1cc(C(=O)N2CC[NH+](CCn3cncn3)CC2)ccc1Cl ZINC000543635807 306066165 /nfs/dbraw/zinc/06/61/65/306066165.db2.gz UBMXCPDSCSLFAK-UHFFFAOYSA-N 1 2 344.806 1.261 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000548633868 306133263 /nfs/dbraw/zinc/13/32/63/306133263.db2.gz YISAORQEGBCITK-UHFFFAOYSA-N 1 2 334.807 1.233 20 30 EDEDLO CNc1nc(N2CCN(c3cc(C#N)ccn3)CC2)[nH+]c2ccccc21 ZINC000450242580 447436544 /nfs/dbraw/zinc/43/65/44/447436544.db2.gz LUTBQWYXOMNFCP-UHFFFAOYSA-N 1 2 345.410 2.265 20 30 EDEDLO COc1ccc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)c(OC)c1 ZINC000007017717 441031219 /nfs/dbraw/zinc/03/12/19/441031219.db2.gz PPNVGSLBCMZXEG-GOSISDBHSA-N 1 2 331.416 1.944 20 30 EDEDLO COc1ccc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)c(OC)c1 ZINC000007017717 441031223 /nfs/dbraw/zinc/03/12/23/441031223.db2.gz PPNVGSLBCMZXEG-GOSISDBHSA-N 1 2 331.416 1.944 20 30 EDEDLO O=C(C#Cc1ccccc1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000080589402 441181113 /nfs/dbraw/zinc/18/11/13/441181113.db2.gz YIUYYOSGGFHQLW-SFHVURJKSA-N 1 2 330.453 1.362 20 30 EDEDLO C#CC[N@@H+](CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000104093292 441189140 /nfs/dbraw/zinc/18/91/40/441189140.db2.gz HHZWGNDWNBOSPG-HNNXBMFYSA-N 1 2 337.441 1.586 20 30 EDEDLO C#CC[N@H+](CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000104093292 441189146 /nfs/dbraw/zinc/18/91/46/441189146.db2.gz HHZWGNDWNBOSPG-HNNXBMFYSA-N 1 2 337.441 1.586 20 30 EDEDLO CCCCNC(=O)CO[NH+]=C(N)c1ccc(N2CCCCC2)nc1 ZINC000060100238 441233342 /nfs/dbraw/zinc/23/33/42/441233342.db2.gz QLMJCVOFTLFTIG-UHFFFAOYSA-N 1 2 333.436 1.625 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000072014154 441202981 /nfs/dbraw/zinc/20/29/81/441202981.db2.gz DVHBOOCOETVYDV-AWEZNQCLSA-N 1 2 327.432 1.523 20 30 EDEDLO N#Cc1ccc(OCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000080920337 441207669 /nfs/dbraw/zinc/20/76/69/441207669.db2.gz HLASLHNTCXZNET-INIZCTEOSA-N 1 2 329.400 1.260 20 30 EDEDLO C=CCN(C(=O)Cn1c(C)[nH+]c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000060555208 441250446 /nfs/dbraw/zinc/25/04/46/441250446.db2.gz ZMHUCCFCJRPFDW-AWEZNQCLSA-N 1 2 347.440 1.546 20 30 EDEDLO COc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1OC ZINC000060633797 441253885 /nfs/dbraw/zinc/25/38/85/441253885.db2.gz NAAPWICGOJGSKJ-UHFFFAOYSA-N 1 2 347.415 1.392 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000048221368 441272893 /nfs/dbraw/zinc/27/28/93/441272893.db2.gz VVJZBJQQPDUCIX-AWEZNQCLSA-N 1 2 333.457 1.628 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000105818745 441277807 /nfs/dbraw/zinc/27/78/07/441277807.db2.gz JMZBLDXJNPQCFR-AWEZNQCLSA-N 1 2 326.400 1.396 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)cc1 ZINC000074052273 441385550 /nfs/dbraw/zinc/38/55/50/441385550.db2.gz XLISBTWPTGUJAD-UHFFFAOYSA-N 1 2 340.427 1.504 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](OCCO)C2)C1=O ZINC000083174355 441353673 /nfs/dbraw/zinc/35/36/73/441353673.db2.gz LLYXFJHKOZUDRF-UONOGXRCSA-N 1 2 335.429 1.198 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](OCCO)C2)C1=O ZINC000083174355 441353681 /nfs/dbraw/zinc/35/36/81/441353681.db2.gz LLYXFJHKOZUDRF-UONOGXRCSA-N 1 2 335.429 1.198 20 30 EDEDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)cc1F ZINC000084866033 441424735 /nfs/dbraw/zinc/42/47/35/441424735.db2.gz NWSAVJSYRVVJGF-AWEZNQCLSA-N 1 2 348.422 1.717 20 30 EDEDLO C#CCOc1ccc(F)cc1NCC(=O)N1CC[NH+](CC#C)CC1 ZINC000085278722 441432240 /nfs/dbraw/zinc/43/22/40/441432240.db2.gz DHFAMSGGPWJTCA-UHFFFAOYSA-N 1 2 329.375 1.027 20 30 EDEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029857045 441476219 /nfs/dbraw/zinc/47/62/19/441476219.db2.gz ZRRDOSZRIULVHY-GFCCVEGCSA-N 1 2 347.394 1.054 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000109756641 441504615 /nfs/dbraw/zinc/50/46/15/441504615.db2.gz RNPGTVOCNZILLH-OCCSQVGLSA-N 1 2 327.306 1.884 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000109756641 441504618 /nfs/dbraw/zinc/50/46/18/441504618.db2.gz RNPGTVOCNZILLH-OCCSQVGLSA-N 1 2 327.306 1.884 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000088523947 441511675 /nfs/dbraw/zinc/51/16/75/441511675.db2.gz XUUIIWHCEHPWFI-KRWDZBQOSA-N 1 2 340.387 1.674 20 30 EDEDLO C#CC[NH+](CC#C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000076185383 441607354 /nfs/dbraw/zinc/60/73/54/441607354.db2.gz ZRJAXOPEUBFQGM-UHFFFAOYSA-N 1 2 337.423 1.432 20 30 EDEDLO C[C@@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158234052 441709530 /nfs/dbraw/zinc/70/95/30/441709530.db2.gz PCWXVXRJZAJRJV-IUODEOHRSA-N 1 2 331.416 1.953 20 30 EDEDLO CCC[N@H+](CC(=O)NCC#N)CC(=O)Nc1ccc(F)c(F)c1F ZINC000076667915 441672769 /nfs/dbraw/zinc/67/27/69/441672769.db2.gz GWGSWBCZWQCSQU-UHFFFAOYSA-N 1 2 342.321 1.394 20 30 EDEDLO CCC[N@@H+](CC(=O)NCC#N)CC(=O)Nc1ccc(F)c(F)c1F ZINC000076667915 441672771 /nfs/dbraw/zinc/67/27/71/441672771.db2.gz GWGSWBCZWQCSQU-UHFFFAOYSA-N 1 2 342.321 1.394 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000115530764 441752215 /nfs/dbraw/zinc/75/22/15/441752215.db2.gz MISLQQWLPMEZBN-GOSISDBHSA-N 1 2 336.395 1.612 20 30 EDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000077177553 441729342 /nfs/dbraw/zinc/72/93/42/441729342.db2.gz DPGCXCBXKCWVGF-LFSJFUADSA-N 1 2 336.457 1.334 20 30 EDEDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000077177553 441729345 /nfs/dbraw/zinc/72/93/45/441729345.db2.gz DPGCXCBXKCWVGF-LFSJFUADSA-N 1 2 336.457 1.334 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000122256779 441842469 /nfs/dbraw/zinc/84/24/69/441842469.db2.gz FKIFOPORZXKLIO-UHFFFAOYSA-N 1 2 339.443 1.497 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc(-c2cccs2)no1 ZINC000078687563 441963011 /nfs/dbraw/zinc/96/30/11/441963011.db2.gz IHJHCSKIYMJGGK-UHFFFAOYSA-N 1 2 347.444 1.846 20 30 EDEDLO NC(=NOCc1nccs1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000161291884 441982155 /nfs/dbraw/zinc/98/21/55/441982155.db2.gz ZAKJGGFFMMWJCZ-UHFFFAOYSA-N 1 2 332.429 1.812 20 30 EDEDLO C=CCNC(=O)c1cccc(S(=O)(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000078979983 442002623 /nfs/dbraw/zinc/00/26/23/442002623.db2.gz MNLLUPSANBVMCI-UHFFFAOYSA-N 1 2 348.428 1.157 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cc(F)ccc1F ZINC000079844501 442090493 /nfs/dbraw/zinc/09/04/93/442090493.db2.gz XTUYVJQTCKTLJN-UHFFFAOYSA-N 1 2 337.370 1.582 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000079510747 442056696 /nfs/dbraw/zinc/05/66/96/442056696.db2.gz RJSZTRAQAYWSPK-AWEZNQCLSA-N 1 2 339.403 1.070 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(C#N)nc2)c1C ZINC000171091731 442310378 /nfs/dbraw/zinc/31/03/78/442310378.db2.gz AOAQZESHQVUYBC-UHFFFAOYSA-N 1 2 346.412 1.794 20 30 EDEDLO CC#CCC[NH+]1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000155086567 442374578 /nfs/dbraw/zinc/37/45/78/442374578.db2.gz CPFIEOUNAPZVOR-UHFFFAOYSA-N 1 2 328.384 1.685 20 30 EDEDLO N#CCCN(CCC#N)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000132799647 442400608 /nfs/dbraw/zinc/40/06/08/442400608.db2.gz OHAOXLNHVDZFBZ-UHFFFAOYSA-N 1 2 329.404 1.053 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178808434 442490758 /nfs/dbraw/zinc/49/07/58/442490758.db2.gz FLLWKOILGFBMKW-SPSFWMDKSA-N 1 2 337.445 1.256 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178808434 442490763 /nfs/dbraw/zinc/49/07/63/442490763.db2.gz FLLWKOILGFBMKW-SPSFWMDKSA-N 1 2 337.445 1.256 20 30 EDEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000186159215 442475846 /nfs/dbraw/zinc/47/58/46/442475846.db2.gz VAMRKJMHCFLVQT-UHFFFAOYSA-N 1 2 328.416 1.036 20 30 EDEDLO COC(=O)[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156713192 442512072 /nfs/dbraw/zinc/51/20/72/442512072.db2.gz DJCMPIVYLAJJCG-AWEZNQCLSA-N 1 2 336.413 1.217 20 30 EDEDLO COC(=O)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000156713192 442512075 /nfs/dbraw/zinc/51/20/75/442512075.db2.gz DJCMPIVYLAJJCG-AWEZNQCLSA-N 1 2 336.413 1.217 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc[nH+]c1N(C)C ZINC000172672895 442519179 /nfs/dbraw/zinc/51/91/79/442519179.db2.gz AXAOUOQBYWLNFM-UHFFFAOYSA-N 1 2 330.413 1.806 20 30 EDEDLO CSCCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000172719732 442526255 /nfs/dbraw/zinc/52/62/55/442526255.db2.gz MVPSXSZHUNOACO-UHFFFAOYSA-N 1 2 339.486 1.618 20 30 EDEDLO CC(C)Oc1cncc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000157556397 442592184 /nfs/dbraw/zinc/59/21/84/442592184.db2.gz NJOVVYAAJSAUKU-UHFFFAOYSA-N 1 2 346.431 1.557 20 30 EDEDLO CCOCCO[C@H]1CC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000157623626 442599641 /nfs/dbraw/zinc/59/96/41/442599641.db2.gz NXHRYQPWXSPBAC-IRXDYDNUSA-N 1 2 332.400 1.900 20 30 EDEDLO CCOCCO[C@H]1CC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000157623626 442599643 /nfs/dbraw/zinc/59/96/43/442599643.db2.gz NXHRYQPWXSPBAC-IRXDYDNUSA-N 1 2 332.400 1.900 20 30 EDEDLO CC(C)c1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc(=O)[nH]1 ZINC000181017041 442674641 /nfs/dbraw/zinc/67/46/41/442674641.db2.gz OUYVCNGZZYTXMB-UHFFFAOYSA-N 1 2 346.431 1.599 20 30 EDEDLO Cc1ccc([C@@H](CNC(=O)NC[C@H](C)C#N)[NH+]2CCOCC2)cc1 ZINC000182595199 442792786 /nfs/dbraw/zinc/79/27/86/442792786.db2.gz RNTAZOUQDCWGLE-NVXWUHKLSA-N 1 2 330.432 1.827 20 30 EDEDLO C[C@H](C#N)CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000182611911 442795546 /nfs/dbraw/zinc/79/55/46/442795546.db2.gz DVUKTYTZLUAIRA-OAHLLOKOSA-N 1 2 346.431 1.356 20 30 EDEDLO COc1ccc([C@@H](NC(=O)NC[C@H](C)C#N)c2[nH+]ccn2C)cc1 ZINC000182383463 442762512 /nfs/dbraw/zinc/76/25/12/442762512.db2.gz LSTLSDCHIBSHKG-IUODEOHRSA-N 1 2 327.388 1.977 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193664404 442765096 /nfs/dbraw/zinc/76/50/96/442765096.db2.gz MABHUWKSEHRDSB-HKUYNNGSSA-N 1 2 333.428 1.646 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@]12CCOC2 ZINC000193664404 442765098 /nfs/dbraw/zinc/76/50/98/442765098.db2.gz MABHUWKSEHRDSB-HKUYNNGSSA-N 1 2 333.428 1.646 20 30 EDEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@H](O)CCc1ccccc1 ZINC000182436583 442767128 /nfs/dbraw/zinc/76/71/28/442767128.db2.gz YOVMKBRKDZGESZ-LJQANCHMSA-N 1 2 331.460 1.528 20 30 EDEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@H](O)CCc1ccccc1 ZINC000182436583 442767131 /nfs/dbraw/zinc/76/71/31/442767131.db2.gz YOVMKBRKDZGESZ-LJQANCHMSA-N 1 2 331.460 1.528 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)CCc1ccccc1 ZINC000182436583 442767134 /nfs/dbraw/zinc/76/71/34/442767134.db2.gz YOVMKBRKDZGESZ-LJQANCHMSA-N 1 2 331.460 1.528 20 30 EDEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193768810 442783282 /nfs/dbraw/zinc/78/32/82/442783282.db2.gz NCNKDFRRILRFLO-GJZGRUSLSA-N 1 2 329.448 1.769 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)n1 ZINC000265550833 442820437 /nfs/dbraw/zinc/82/04/37/442820437.db2.gz QMDPIXCEJPFLCF-UHFFFAOYSA-N 1 2 347.422 1.665 20 30 EDEDLO CC(C)(C#N)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000194404321 442890496 /nfs/dbraw/zinc/89/04/96/442890496.db2.gz YHCVWSSLWDLILO-UHFFFAOYSA-N 1 2 344.415 1.237 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)CC#N)c(OC)c1 ZINC000268347105 442956824 /nfs/dbraw/zinc/95/68/24/442956824.db2.gz CCQFBWSUHVNLPN-OCCSQVGLSA-N 1 2 336.388 1.455 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)CC#N)c(OC)c1 ZINC000268347105 442956827 /nfs/dbraw/zinc/95/68/27/442956827.db2.gz CCQFBWSUHVNLPN-OCCSQVGLSA-N 1 2 336.388 1.455 20 30 EDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000266247071 443073633 /nfs/dbraw/zinc/07/36/33/443073633.db2.gz YYQLFCZAUOZSPK-GXTWGEPZSA-N 1 2 337.424 1.265 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000184840155 443085138 /nfs/dbraw/zinc/08/51/38/443085138.db2.gz BORLRZRQYDQOLV-CYBMUJFWSA-N 1 2 327.392 1.075 20 30 EDEDLO C=CC[N@@H+](CCOC)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000191119976 443244328 /nfs/dbraw/zinc/24/43/28/443244328.db2.gz RKFXKNDBWSRLJS-UHFFFAOYSA-N 1 2 341.358 1.154 20 30 EDEDLO C=CC[N@H+](CCOC)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000191119976 443244332 /nfs/dbraw/zinc/24/43/32/443244332.db2.gz RKFXKNDBWSRLJS-UHFFFAOYSA-N 1 2 341.358 1.154 20 30 EDEDLO C=C1CC[NH+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000266750751 443228648 /nfs/dbraw/zinc/22/86/48/443228648.db2.gz PTKPVBGPUZTKMN-AWEZNQCLSA-N 1 2 333.407 1.771 20 30 EDEDLO C#CCC(C)(C)C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000185475278 443206125 /nfs/dbraw/zinc/20/61/25/443206125.db2.gz UMCADHBMQOVICA-UHFFFAOYSA-N 1 2 342.443 1.449 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000191163291 443251412 /nfs/dbraw/zinc/25/14/12/443251412.db2.gz BTJUIIZIVORORW-UNEWFSDZSA-N 1 2 327.384 1.770 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000191163291 443251416 /nfs/dbraw/zinc/25/14/16/443251416.db2.gz BTJUIIZIVORORW-UNEWFSDZSA-N 1 2 327.384 1.770 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2[nH]c1=S ZINC000191331708 443279350 /nfs/dbraw/zinc/27/93/50/443279350.db2.gz JKDRURIQKXQWEG-GFCCVEGCSA-N 1 2 344.440 1.435 20 30 EDEDLO CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCNC1=O ZINC000282397693 443327401 /nfs/dbraw/zinc/32/74/01/443327401.db2.gz PKUZGDRQGLGING-OAHLLOKOSA-N 1 2 348.834 1.797 20 30 EDEDLO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCNC1=O ZINC000282397693 443327403 /nfs/dbraw/zinc/32/74/03/443327403.db2.gz PKUZGDRQGLGING-OAHLLOKOSA-N 1 2 348.834 1.797 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000273036434 443524615 /nfs/dbraw/zinc/52/46/15/443524615.db2.gz ZRBAPVKZGUSNMB-UHFFFAOYSA-N 1 2 348.428 1.809 20 30 EDEDLO C#CCCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000265098571 443532656 /nfs/dbraw/zinc/53/26/56/443532656.db2.gz WHNHBQOGGGMUQF-UHFFFAOYSA-N 1 2 331.416 1.220 20 30 EDEDLO C=CCOc1ccc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)cc1OC ZINC000271178993 443495279 /nfs/dbraw/zinc/49/52/79/443495279.db2.gz INXNAWJXLPSYJN-UHFFFAOYSA-N 1 2 347.459 1.642 20 30 EDEDLO C=CCOc1ccc(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)cc1OC ZINC000271178993 443495282 /nfs/dbraw/zinc/49/52/82/443495282.db2.gz INXNAWJXLPSYJN-UHFFFAOYSA-N 1 2 347.459 1.642 20 30 EDEDLO N#Cc1ccc(C(F)(F)F)nc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000265240072 443580767 /nfs/dbraw/zinc/58/07/67/443580767.db2.gz ONSWBCUYDUVBAW-LLVKDONJSA-N 1 2 330.310 1.077 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH2+][C@H](c1nc(C(C)C)no1)C1CCOCC1 ZINC000275256448 443624114 /nfs/dbraw/zinc/62/41/14/443624114.db2.gz HMDTUWANXSLWKT-JSGCOSHPSA-N 1 2 334.420 1.388 20 30 EDEDLO CC(=O)OC(C)(C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000275428499 443628127 /nfs/dbraw/zinc/62/81/27/443628127.db2.gz UJPIDSMCEUQLLV-UHFFFAOYSA-N 1 2 329.400 1.544 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C(=O)NC(=O)NCC(C)C)n1 ZINC000279816715 443631021 /nfs/dbraw/zinc/63/10/21/443631021.db2.gz YELHBGUDVBBBMS-AWEZNQCLSA-N 1 2 333.436 1.209 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)[C@@H](C)C(=O)NC(=O)NCC(C)C)n1 ZINC000279816715 443631024 /nfs/dbraw/zinc/63/10/24/443631024.db2.gz YELHBGUDVBBBMS-AWEZNQCLSA-N 1 2 333.436 1.209 20 30 EDEDLO CCOC(=O)CC[N@H+](CC(=O)N(CC)CCC#N)Cc1cccnc1 ZINC000274134403 443596102 /nfs/dbraw/zinc/59/61/02/443596102.db2.gz FSXXVFNZVJDOSE-UHFFFAOYSA-N 1 2 346.431 1.599 20 30 EDEDLO CCOC(=O)CC[N@@H+](CC(=O)N(CC)CCC#N)Cc1cccnc1 ZINC000274134403 443596104 /nfs/dbraw/zinc/59/61/04/443596104.db2.gz FSXXVFNZVJDOSE-UHFFFAOYSA-N 1 2 346.431 1.599 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000275907277 443646238 /nfs/dbraw/zinc/64/62/38/443646238.db2.gz IWWFVDPSTQRZHQ-HNNXBMFYSA-N 1 2 327.432 1.983 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000275907277 443646241 /nfs/dbraw/zinc/64/62/41/443646241.db2.gz IWWFVDPSTQRZHQ-HNNXBMFYSA-N 1 2 327.432 1.983 20 30 EDEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000286284363 443683257 /nfs/dbraw/zinc/68/32/57/443683257.db2.gz WDKZMNLFJDCYPH-LBPRGKRZSA-N 1 2 349.818 1.921 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1ccc(C#N)nc1 ZINC000290904431 443707381 /nfs/dbraw/zinc/70/73/81/443707381.db2.gz FUDVSSIWAHHGPR-BBRMVZONSA-N 1 2 328.395 1.736 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000292240454 443784528 /nfs/dbraw/zinc/78/45/28/443784528.db2.gz CDHMTACWVNNSBG-KKUMJFAQSA-N 1 2 346.431 1.561 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C[C@@H]21 ZINC000284714420 443785402 /nfs/dbraw/zinc/78/54/02/443785402.db2.gz ZWJWPRLQMWBIEE-FGTMMUONSA-N 1 2 338.411 1.172 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C[C@@H]21 ZINC000284714420 443785404 /nfs/dbraw/zinc/78/54/04/443785404.db2.gz ZWJWPRLQMWBIEE-FGTMMUONSA-N 1 2 338.411 1.172 20 30 EDEDLO C=C[C@H](CO)NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000291137715 443750030 /nfs/dbraw/zinc/75/00/30/443750030.db2.gz WUZDRZUUCYONSY-MRXNPFEDSA-N 1 2 328.416 1.862 20 30 EDEDLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292145918 443778899 /nfs/dbraw/zinc/77/88/99/443778899.db2.gz JWKQCZFHNPPVQG-BXUZGUMPSA-N 1 2 325.376 1.489 20 30 EDEDLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292145918 443778902 /nfs/dbraw/zinc/77/89/02/443778902.db2.gz JWKQCZFHNPPVQG-BXUZGUMPSA-N 1 2 325.376 1.489 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000284540443 443779380 /nfs/dbraw/zinc/77/93/80/443779380.db2.gz GTGWBMRLGSCZMN-SFHVURJKSA-N 1 2 349.479 1.567 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000284540443 443779382 /nfs/dbraw/zinc/77/93/82/443779382.db2.gz GTGWBMRLGSCZMN-SFHVURJKSA-N 1 2 349.479 1.567 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(C#N)c1C ZINC000284990222 443811238 /nfs/dbraw/zinc/81/12/38/443811238.db2.gz YKXHIKNKBLEGBI-APHBMKBZSA-N 1 2 346.431 1.500 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(C#N)c1C ZINC000284990222 443811240 /nfs/dbraw/zinc/81/12/40/443811240.db2.gz YKXHIKNKBLEGBI-APHBMKBZSA-N 1 2 346.431 1.500 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000288439017 443881608 /nfs/dbraw/zinc/88/16/08/443881608.db2.gz UHDDCJBNVJIJSH-CQSZACIVSA-N 1 2 337.445 1.041 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000288439017 443881612 /nfs/dbraw/zinc/88/16/12/443881612.db2.gz UHDDCJBNVJIJSH-CQSZACIVSA-N 1 2 337.445 1.041 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NCCc2cccs2)C1=O ZINC000281219664 443851098 /nfs/dbraw/zinc/85/10/98/443851098.db2.gz DRKBZTPVCYAGPR-UKRRQHHQSA-N 1 2 335.473 1.514 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NCCc2cccs2)C1=O ZINC000281219664 443851104 /nfs/dbraw/zinc/85/11/04/443851104.db2.gz DRKBZTPVCYAGPR-UKRRQHHQSA-N 1 2 335.473 1.514 20 30 EDEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000298939048 443908137 /nfs/dbraw/zinc/90/81/37/443908137.db2.gz DSAORCDDKLVVJL-UHFFFAOYSA-N 1 2 341.455 1.550 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000293135172 443933246 /nfs/dbraw/zinc/93/32/46/443933246.db2.gz UZYDRJHDDODYHG-UHFFFAOYSA-N 1 2 330.432 1.465 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000293135172 443933251 /nfs/dbraw/zinc/93/32/51/443933251.db2.gz UZYDRJHDDODYHG-UHFFFAOYSA-N 1 2 330.432 1.465 20 30 EDEDLO Cc1noc([C@]2(O)CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000277453557 443986403 /nfs/dbraw/zinc/98/64/03/443986403.db2.gz OLDGGIYOZKRLAS-DIFFPNOSSA-N 1 2 341.371 1.170 20 30 EDEDLO Cc1noc([C@]2(O)CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000277453557 443986406 /nfs/dbraw/zinc/98/64/06/443986406.db2.gz OLDGGIYOZKRLAS-DIFFPNOSSA-N 1 2 341.371 1.170 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)C[C@H]21 ZINC000560445828 321028214 /nfs/dbraw/zinc/02/82/14/321028214.db2.gz JLBHEYKQYVLVNH-KGLIPLIRSA-N 1 2 335.795 1.543 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)C[C@H]21 ZINC000560445828 321028215 /nfs/dbraw/zinc/02/82/15/321028215.db2.gz JLBHEYKQYVLVNH-KGLIPLIRSA-N 1 2 335.795 1.543 20 30 EDEDLO C[C@@H](Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)C(F)(F)F ZINC000565241867 321178599 /nfs/dbraw/zinc/17/85/99/321178599.db2.gz XYRPAONHVINUST-NSHDSACASA-N 1 2 329.322 1.751 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)c1ncnc2c1C[N@H+](C)CC2 ZINC000299640483 444103158 /nfs/dbraw/zinc/10/31/58/444103158.db2.gz VSTUQWBZFWTXDT-UHFFFAOYSA-N 1 2 337.427 1.989 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)c1ncnc2c1C[N@@H+](C)CC2 ZINC000299640483 444103159 /nfs/dbraw/zinc/10/31/59/444103159.db2.gz VSTUQWBZFWTXDT-UHFFFAOYSA-N 1 2 337.427 1.989 20 30 EDEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](CC(=O)N[C@@H](C)CC)CC1 ZINC000282183221 444109109 /nfs/dbraw/zinc/10/91/09/444109109.db2.gz FOYSFFMEZVPGIY-AWEZNQCLSA-N 1 2 346.479 1.378 20 30 EDEDLO C=CCC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000285862167 444132314 /nfs/dbraw/zinc/13/23/14/444132314.db2.gz HUIUDACAYZTYAA-SJORKVTESA-N 1 2 345.443 1.257 20 30 EDEDLO C=CCC[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000285862167 444132317 /nfs/dbraw/zinc/13/23/17/444132317.db2.gz HUIUDACAYZTYAA-SJORKVTESA-N 1 2 345.443 1.257 20 30 EDEDLO C=CCn1c(C)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000282236719 444123575 /nfs/dbraw/zinc/12/35/75/444123575.db2.gz JSVLAYDIDSHTSS-HNNXBMFYSA-N 1 2 346.479 1.296 20 30 EDEDLO CC(C)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1COC1 ZINC000295259071 444173890 /nfs/dbraw/zinc/17/38/90/444173890.db2.gz BPWLTIZNELCRAS-UHFFFAOYSA-N 1 2 339.399 1.792 20 30 EDEDLO CC(C)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1COC1 ZINC000295259071 444173895 /nfs/dbraw/zinc/17/38/95/444173895.db2.gz BPWLTIZNELCRAS-UHFFFAOYSA-N 1 2 339.399 1.792 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000295480425 444185947 /nfs/dbraw/zinc/18/59/47/444185947.db2.gz YOMOOYDRKIXVPU-LSDHHAIUSA-N 1 2 347.484 1.994 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000295480425 444185949 /nfs/dbraw/zinc/18/59/49/444185949.db2.gz YOMOOYDRKIXVPU-LSDHHAIUSA-N 1 2 347.484 1.994 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCOC[C@H](O)C2)c1 ZINC000295506699 444187197 /nfs/dbraw/zinc/18/71/97/444187197.db2.gz HOPJXWOCRHXFNC-FUHWJXTLSA-N 1 2 345.443 1.632 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCOC[C@H](O)C2)c1 ZINC000295506699 444187199 /nfs/dbraw/zinc/18/71/99/444187199.db2.gz HOPJXWOCRHXFNC-FUHWJXTLSA-N 1 2 345.443 1.632 20 30 EDEDLO CC1(C)C[C@@H](O)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000295562848 444188870 /nfs/dbraw/zinc/18/88/70/444188870.db2.gz UBNNVYBSTLMNND-HNNXBMFYSA-N 1 2 336.457 1.815 20 30 EDEDLO CC1(C)C[C@@H](O)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000295562848 444188872 /nfs/dbraw/zinc/18/88/72/444188872.db2.gz UBNNVYBSTLMNND-HNNXBMFYSA-N 1 2 336.457 1.815 20 30 EDEDLO COC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccco1 ZINC000289738686 444196953 /nfs/dbraw/zinc/19/69/53/444196953.db2.gz HAMFEHGEIWXXIP-ZDUSSCGKSA-N 1 2 335.385 1.297 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)NCc1c[nH+]cn1C ZINC000290394877 444275846 /nfs/dbraw/zinc/27/58/46/444275846.db2.gz NUYOPADAENICOI-UHFFFAOYSA-N 1 2 329.360 1.639 20 30 EDEDLO Cc1nsc(NC(=O)N2CC[NH+](CCOC(C)C)CC2)c1C#N ZINC000297373715 444284572 /nfs/dbraw/zinc/28/45/72/444284572.db2.gz HXYGGZVGBJYUSQ-UHFFFAOYSA-N 1 2 337.449 1.898 20 30 EDEDLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1 ZINC000297394885 444285043 /nfs/dbraw/zinc/28/50/43/444285043.db2.gz AUHSVNANPLMYFH-OAHLLOKOSA-N 1 2 342.443 1.257 20 30 EDEDLO CO[C@]1(C)C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C1(C)C ZINC000328852206 444375343 /nfs/dbraw/zinc/37/53/43/444375343.db2.gz BTCPYRDBXDWRHJ-AYMQEEERSA-N 1 2 325.453 1.509 20 30 EDEDLO CO[C@]1(C)C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1(C)C ZINC000328852206 444375345 /nfs/dbraw/zinc/37/53/45/444375345.db2.gz BTCPYRDBXDWRHJ-AYMQEEERSA-N 1 2 325.453 1.509 20 30 EDEDLO CCCn1nc(C)c(C(=O)NCC[NH+]2CCN(C(C)=O)CC2)c1C ZINC000330989716 444348632 /nfs/dbraw/zinc/34/86/32/444348632.db2.gz RXUAVNBCDMFACG-UHFFFAOYSA-N 1 2 335.452 1.379 20 30 EDEDLO C[C@](O)(CNC(=O)[C@H]1CCC(=O)c2ccccc21)C[NH+]1CCOCC1 ZINC000328800542 444357988 /nfs/dbraw/zinc/35/79/88/444357988.db2.gz IKLTUNIJYGKNMT-LPHOPBHVSA-N 1 2 346.427 1.786 20 30 EDEDLO Cc1nc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)sc1C ZINC000578435594 321773753 /nfs/dbraw/zinc/77/37/53/321773753.db2.gz IOWFPKWUMUGOKQ-UHFFFAOYSA-N 1 2 336.442 1.590 20 30 EDEDLO CO[C@]1(C)C[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1(C)C ZINC000328852218 444374906 /nfs/dbraw/zinc/37/49/06/444374906.db2.gz BTCPYRDBXDWRHJ-XJIUQZFPSA-N 1 2 325.453 1.509 20 30 EDEDLO CO[C@]1(C)C[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1(C)C ZINC000328852218 444374912 /nfs/dbraw/zinc/37/49/12/444374912.db2.gz BTCPYRDBXDWRHJ-XJIUQZFPSA-N 1 2 325.453 1.509 20 30 EDEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000331127115 444406010 /nfs/dbraw/zinc/40/60/10/444406010.db2.gz OAJGFYXOXKZWIZ-CQSZACIVSA-N 1 2 336.480 1.906 20 30 EDEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000331127115 444406014 /nfs/dbraw/zinc/40/60/14/444406014.db2.gz OAJGFYXOXKZWIZ-CQSZACIVSA-N 1 2 336.480 1.906 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000337795572 444411329 /nfs/dbraw/zinc/41/13/29/444411329.db2.gz CYYKEYLMKPBDRI-LBPRGKRZSA-N 1 2 335.433 1.413 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000578724603 321818948 /nfs/dbraw/zinc/81/89/48/321818948.db2.gz SVJXLEZQBLKQEN-PWSUYJOCSA-N 1 2 332.385 1.748 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000328945915 444416460 /nfs/dbraw/zinc/41/64/60/444416460.db2.gz MDGUZKGTKRIQCV-CQSZACIVSA-N 1 2 337.468 1.121 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CCN2CCNC2=O)CC1 ZINC000328945915 444416466 /nfs/dbraw/zinc/41/64/66/444416466.db2.gz MDGUZKGTKRIQCV-CQSZACIVSA-N 1 2 337.468 1.121 20 30 EDEDLO COc1ccc(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)nn1 ZINC000328674612 444425301 /nfs/dbraw/zinc/42/53/01/444425301.db2.gz JZSMJJFAOIHAEY-AWEZNQCLSA-N 1 2 347.463 1.890 20 30 EDEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CCC(C)(C)O2)CCO1 ZINC000331252660 444457815 /nfs/dbraw/zinc/45/78/15/444457815.db2.gz URJGEDGOYQBPJI-QWHCGFSZSA-N 1 2 342.440 1.026 20 30 EDEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CCC(C)(C)O2)CCO1 ZINC000331252660 444457819 /nfs/dbraw/zinc/45/78/19/444457819.db2.gz URJGEDGOYQBPJI-QWHCGFSZSA-N 1 2 342.440 1.026 20 30 EDEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000337840030 444431868 /nfs/dbraw/zinc/43/18/68/444431868.db2.gz FBCYIGAUVNTJKF-HNNXBMFYSA-N 1 2 329.404 1.635 20 30 EDEDLO C[C@H](O)CC(C)(C)CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000331198394 444439976 /nfs/dbraw/zinc/43/99/76/444439976.db2.gz OPRAMAVVJCMUJN-GZBFAFLISA-N 1 2 338.452 1.941 20 30 EDEDLO CNC(=O)[C@H]1C[N@H+](Cc2nsc(N(C)C)n2)C[C@@H]1c1cnn(C)c1 ZINC000329129632 444479391 /nfs/dbraw/zinc/47/93/91/444479391.db2.gz NWEITHTXPWFAMR-NEPJUHHUSA-N 1 2 349.464 1.140 20 30 EDEDLO CNC(=O)[C@H]1C[N@@H+](Cc2nsc(N(C)C)n2)C[C@@H]1c1cnn(C)c1 ZINC000329129632 444479394 /nfs/dbraw/zinc/47/93/94/444479394.db2.gz NWEITHTXPWFAMR-NEPJUHHUSA-N 1 2 349.464 1.140 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cc(Br)ccn3)C[C@@H]21 ZINC000329137434 444480911 /nfs/dbraw/zinc/48/09/11/444480911.db2.gz RKRBFPBYXSUSRI-QWRGUYRKSA-N 1 2 341.209 1.404 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cc(Br)ccn3)C[C@@H]21 ZINC000329137434 444480915 /nfs/dbraw/zinc/48/09/15/444480915.db2.gz RKRBFPBYXSUSRI-QWRGUYRKSA-N 1 2 341.209 1.404 20 30 EDEDLO N#CCCN(CCC#N)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000340724064 444489393 /nfs/dbraw/zinc/48/93/93/444489393.db2.gz RVRNPFLENLTDAM-UHFFFAOYSA-N 1 2 345.472 1.522 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000332031296 444496636 /nfs/dbraw/zinc/49/66/36/444496636.db2.gz SAMRUJAJJWHGDP-CZUORRHYSA-N 1 2 330.423 1.702 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(CC(F)F)CC1 ZINC000332031296 444496637 /nfs/dbraw/zinc/49/66/37/444496637.db2.gz SAMRUJAJJWHGDP-CZUORRHYSA-N 1 2 330.423 1.702 20 30 EDEDLO [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCO[C@@]2(CCCOC2)C1 ZINC000329237570 444509292 /nfs/dbraw/zinc/50/92/92/444509292.db2.gz PBJLUHZYXDHFKE-YOEHRIQHSA-N 1 2 334.420 1.241 20 30 EDEDLO C[C@H](C(=O)N1CCO[C@H](C#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000332534670 444518607 /nfs/dbraw/zinc/51/86/07/444518607.db2.gz IIXPEMRWYNMDNN-RHSMWYFYSA-N 1 2 346.406 1.087 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)[C@@H]1COCCN1C1CCCC1)[NH+]1CCOCC1 ZINC000329277016 444519414 /nfs/dbraw/zinc/51/94/14/444519414.db2.gz KQRQQHVGDXZTHD-UXLLHSPISA-N 1 2 339.480 1.696 20 30 EDEDLO CCc1nc2n(n1)C[C@@H](NC(=O)C1([NH+]3CCOCC3)CCC1)CC2 ZINC000329350653 444545102 /nfs/dbraw/zinc/54/51/02/444545102.db2.gz WWNRGEKMJOIJNM-ZDUSSCGKSA-N 1 2 333.436 1.367 20 30 EDEDLO C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000329552891 444626542 /nfs/dbraw/zinc/62/65/42/444626542.db2.gz AUYYRQAXYRZXBB-ZACQAIPSSA-N 1 2 339.480 1.902 20 30 EDEDLO CC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329461656 444589241 /nfs/dbraw/zinc/58/92/41/444589241.db2.gz STBJFGOTIZPMLC-DOTOQJQBSA-N 1 2 337.464 1.845 20 30 EDEDLO CC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329461656 444589244 /nfs/dbraw/zinc/58/92/44/444589244.db2.gz STBJFGOTIZPMLC-DOTOQJQBSA-N 1 2 337.464 1.845 20 30 EDEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329466264 444591401 /nfs/dbraw/zinc/59/14/01/444591401.db2.gz VNHQBTGBJIGZJA-GJZGRUSLSA-N 1 2 333.432 1.997 20 30 EDEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329466264 444591404 /nfs/dbraw/zinc/59/14/04/444591404.db2.gz VNHQBTGBJIGZJA-GJZGRUSLSA-N 1 2 333.432 1.997 20 30 EDEDLO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329633831 444657850 /nfs/dbraw/zinc/65/78/50/444657850.db2.gz XIXNRUIAURAHSN-RQJABVFESA-N 1 2 329.466 1.035 20 30 EDEDLO COC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(C)o1 ZINC000343872127 444638849 /nfs/dbraw/zinc/63/88/49/444638849.db2.gz YHIIDYAEAWBZHE-AWEZNQCLSA-N 1 2 349.412 1.606 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000329608297 444646684 /nfs/dbraw/zinc/64/66/84/444646684.db2.gz IQXHZFXDCYZBDT-ZIAGYGMSSA-N 1 2 338.452 1.789 20 30 EDEDLO C[C@@H](C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)[NH+]1CCOCC1 ZINC000342460485 444700231 /nfs/dbraw/zinc/70/02/31/444700231.db2.gz FMPRHGIXMBSCDA-YOEHRIQHSA-N 1 2 329.400 1.179 20 30 EDEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCN2CCOC[C@@H]2C1 ZINC000329797462 444721059 /nfs/dbraw/zinc/72/10/59/444721059.db2.gz XEKQYNHDQZJNCQ-KRWDZBQOSA-N 1 2 341.415 1.303 20 30 EDEDLO C[C@H](N1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1)C(F)(F)F ZINC000329737468 444698049 /nfs/dbraw/zinc/69/80/49/444698049.db2.gz MCMMUGPKJABIOX-QWRGUYRKSA-N 1 2 345.369 1.749 20 30 EDEDLO C[C@H](N1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1)C(F)(F)F ZINC000329737468 444698054 /nfs/dbraw/zinc/69/80/54/444698054.db2.gz MCMMUGPKJABIOX-QWRGUYRKSA-N 1 2 345.369 1.749 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CCN1C ZINC000329951673 444783744 /nfs/dbraw/zinc/78/37/44/444783744.db2.gz IHMHOQDTZBQKAZ-OAGGEKHMSA-N 1 2 347.463 1.580 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(C(F)(F)F)nn2)CCO1 ZINC000329897873 444757787 /nfs/dbraw/zinc/75/77/87/444757787.db2.gz DGMIIJJAQIFERB-UHFFFAOYSA-N 1 2 347.341 1.932 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(C(F)(F)F)nn2)CCO1 ZINC000329897873 444757789 /nfs/dbraw/zinc/75/77/89/444757789.db2.gz DGMIIJJAQIFERB-UHFFFAOYSA-N 1 2 347.341 1.932 20 30 EDEDLO Cc1nn(C)c(C)c1C[C@H](C)[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329913898 444765568 /nfs/dbraw/zinc/76/55/68/444765568.db2.gz XQJQRTBHMOQTHQ-WFASDCNBSA-N 1 2 344.463 1.931 20 30 EDEDLO Cc1nn(C)c(C)c1C[C@H](C)NC([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329913898 444765574 /nfs/dbraw/zinc/76/55/74/444765574.db2.gz XQJQRTBHMOQTHQ-WFASDCNBSA-N 1 2 344.463 1.931 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OCC(=O)N4)C[C@@H]21 ZINC000329929151 444773126 /nfs/dbraw/zinc/77/31/26/444773126.db2.gz NEPDFILXMIQQLN-JSGCOSHPSA-N 1 2 332.360 1.227 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4c(c3)OCC(=O)N4)C[C@@H]21 ZINC000329929151 444773128 /nfs/dbraw/zinc/77/31/28/444773128.db2.gz NEPDFILXMIQQLN-JSGCOSHPSA-N 1 2 332.360 1.227 20 30 EDEDLO C[C@@H]1Oc2ccc(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)cc2NC1=O ZINC000329929543 444773538 /nfs/dbraw/zinc/77/35/38/444773538.db2.gz NOPGTXXNNJXNML-XEGUGMAKSA-N 1 2 346.387 1.616 20 30 EDEDLO C[C@@H]1Oc2ccc(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc2NC1=O ZINC000329929543 444773540 /nfs/dbraw/zinc/77/35/40/444773540.db2.gz NOPGTXXNNJXNML-XEGUGMAKSA-N 1 2 346.387 1.616 20 30 EDEDLO CN1C[C@H]([NH+]=C([O-])N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1=O ZINC000329938066 444777879 /nfs/dbraw/zinc/77/78/79/444777879.db2.gz ACQKLGKQJZKELN-VXGBXAGGSA-N 1 2 333.436 1.230 20 30 EDEDLO CN1C[C@H](NC([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1=O ZINC000329938066 444777883 /nfs/dbraw/zinc/77/78/83/444777883.db2.gz ACQKLGKQJZKELN-VXGBXAGGSA-N 1 2 333.436 1.230 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000329944759 444781135 /nfs/dbraw/zinc/78/11/35/444781135.db2.gz FJVBMOPJGWYEPY-XGWLTEMNSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000329944759 444781139 /nfs/dbraw/zinc/78/11/39/444781139.db2.gz FJVBMOPJGWYEPY-XGWLTEMNSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000329944759 444781143 /nfs/dbraw/zinc/78/11/43/444781143.db2.gz FJVBMOPJGWYEPY-XGWLTEMNSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2C[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000329944759 444781145 /nfs/dbraw/zinc/78/11/45/444781145.db2.gz FJVBMOPJGWYEPY-XGWLTEMNSA-N 1 2 349.431 1.695 20 30 EDEDLO C[C@@H]1CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C[C@@]2(CCOC2)O1 ZINC000329986528 444799986 /nfs/dbraw/zinc/79/99/86/444799986.db2.gz FJKMIMHKLKSCNR-JKIFEVAISA-N 1 2 334.420 1.239 20 30 EDEDLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000330009341 444809472 /nfs/dbraw/zinc/80/94/72/444809472.db2.gz GESPWJNBFRXGTC-KGLIPLIRSA-N 1 2 332.466 1.267 20 30 EDEDLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)C1 ZINC000330009341 444809477 /nfs/dbraw/zinc/80/94/77/444809477.db2.gz GESPWJNBFRXGTC-KGLIPLIRSA-N 1 2 332.466 1.267 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000329961251 444788464 /nfs/dbraw/zinc/78/84/64/444788464.db2.gz OKGBJZVBNJTXPG-CABCVRRESA-N 1 2 334.807 1.814 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000329961251 444788467 /nfs/dbraw/zinc/78/84/67/444788467.db2.gz OKGBJZVBNJTXPG-CABCVRRESA-N 1 2 334.807 1.814 20 30 EDEDLO C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000341427651 444824043 /nfs/dbraw/zinc/82/40/43/444824043.db2.gz CEXGVHRDUYEZGV-ZDUSSCGKSA-N 1 2 328.372 1.112 20 30 EDEDLO [O-]C(NCc1nnc2n1CCCCC2)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330190066 444879368 /nfs/dbraw/zinc/87/93/68/444879368.db2.gz VUPPWXACWOEYPA-GFCCVEGCSA-N 1 2 329.408 1.220 20 30 EDEDLO [O-]C(N[C@@H]1CCO[C@]2(CCSC2)C1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330196156 444882714 /nfs/dbraw/zinc/88/27/14/444882714.db2.gz PUBMMQOEYLVMNL-XJKCOSOUSA-N 1 2 336.461 1.756 20 30 EDEDLO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000330196156 444882718 /nfs/dbraw/zinc/88/27/18/444882718.db2.gz PUBMMQOEYLVMNL-XJKCOSOUSA-N 1 2 336.461 1.756 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCOC3(CCC3)C2)CCO1 ZINC000330209254 444889532 /nfs/dbraw/zinc/88/95/32/444889532.db2.gz HMVVTTUDZQLOCS-CQSZACIVSA-N 1 2 325.453 1.703 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCOC3(CCC3)C2)CCO1 ZINC000330209254 444889533 /nfs/dbraw/zinc/88/95/33/444889533.db2.gz HMVVTTUDZQLOCS-CQSZACIVSA-N 1 2 325.453 1.703 20 30 EDEDLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330270411 444916397 /nfs/dbraw/zinc/91/63/97/444916397.db2.gz UDICJYQPXRCOLZ-BBRMVZONSA-N 1 2 347.463 1.886 20 30 EDEDLO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330270411 444916402 /nfs/dbraw/zinc/91/64/02/444916402.db2.gz UDICJYQPXRCOLZ-BBRMVZONSA-N 1 2 347.463 1.886 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000330370521 444956108 /nfs/dbraw/zinc/95/61/08/444956108.db2.gz FOMWJEXZQCPRGV-OCCSQVGLSA-N 1 2 339.465 1.385 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C2(N3CCOCC3)CCC2)CCO1 ZINC000330324362 444937458 /nfs/dbraw/zinc/93/74/58/444937458.db2.gz IIYVSTFZPSNRMU-ZBFHGGJFSA-N 1 2 348.447 1.852 20 30 EDEDLO CO[C@H]1C[C@@H](C(N)=O)[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000344519350 445029309 /nfs/dbraw/zinc/02/93/09/445029309.db2.gz BNTNCOAOVVADSK-KBPBESRZSA-N 1 2 326.318 1.632 20 30 EDEDLO CO[C@H]1C[C@@H](C(N)=O)[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000344519350 445029311 /nfs/dbraw/zinc/02/93/11/445029311.db2.gz BNTNCOAOVVADSK-KBPBESRZSA-N 1 2 326.318 1.632 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000337206387 444985148 /nfs/dbraw/zinc/98/51/48/444985148.db2.gz MJITWJNGCSHFSF-AWEZNQCLSA-N 1 2 339.465 1.910 20 30 EDEDLO COc1cc(OC)cc(-n2nnnc2C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)c1 ZINC000339012804 444985190 /nfs/dbraw/zinc/98/51/90/444985190.db2.gz FAHNNOBXYSNELT-OLZOCXBDSA-N 1 2 342.403 1.804 20 30 EDEDLO COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)c1 ZINC000339012804 444985192 /nfs/dbraw/zinc/98/51/92/444985192.db2.gz FAHNNOBXYSNELT-OLZOCXBDSA-N 1 2 342.403 1.804 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337410095 445067142 /nfs/dbraw/zinc/06/71/42/445067142.db2.gz OPWBNEMDTRIBEA-HUUCEWRRSA-N 1 2 328.478 1.475 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337410095 445067146 /nfs/dbraw/zinc/06/71/46/445067146.db2.gz OPWBNEMDTRIBEA-HUUCEWRRSA-N 1 2 328.478 1.475 20 30 EDEDLO C[C@H](CC#N)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339274067 445130013 /nfs/dbraw/zinc/13/00/13/445130013.db2.gz JYRYKZDVMSOWJY-IUODEOHRSA-N 1 2 331.420 1.436 20 30 EDEDLO C[C@H](CC#N)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339274067 445130016 /nfs/dbraw/zinc/13/00/16/445130016.db2.gz JYRYKZDVMSOWJY-IUODEOHRSA-N 1 2 331.420 1.436 20 30 EDEDLO C[C@](O)(CNC(=O)c1cc(F)c(F)c(O)c1F)C[NH+]1CCOCC1 ZINC000330780266 445137515 /nfs/dbraw/zinc/13/75/15/445137515.db2.gz XADFMNGMIVOVMQ-HNNXBMFYSA-N 1 2 348.321 1.197 20 30 EDEDLO N#Cc1ccnc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1Cl ZINC000342059227 445150268 /nfs/dbraw/zinc/15/02/68/445150268.db2.gz IIDSHDIBOJMCKS-UHFFFAOYSA-N 1 2 332.795 1.879 20 30 EDEDLO C=CCCS(=O)(=O)NC[C@@H]1OCC[N@@H+](CC)[C@@H]1c1ccccc1 ZINC000343488236 445232592 /nfs/dbraw/zinc/23/25/92/445232592.db2.gz JCJOOLMIDYUYHT-DLBZAZTESA-N 1 2 338.473 1.944 20 30 EDEDLO C=CCCS(=O)(=O)NC[C@@H]1OCC[N@H+](CC)[C@@H]1c1ccccc1 ZINC000343488236 445232594 /nfs/dbraw/zinc/23/25/94/445232594.db2.gz JCJOOLMIDYUYHT-DLBZAZTESA-N 1 2 338.473 1.944 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000347341221 445236692 /nfs/dbraw/zinc/23/66/92/445236692.db2.gz YIKVCLFCEBJEMD-VZXITNMSSA-N 1 2 337.485 1.996 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000347341221 445236694 /nfs/dbraw/zinc/23/66/94/445236694.db2.gz YIKVCLFCEBJEMD-VZXITNMSSA-N 1 2 337.485 1.996 20 30 EDEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000343630189 445271099 /nfs/dbraw/zinc/27/10/99/445271099.db2.gz PQEHIOHEMYNMGR-UHFFFAOYSA-N 1 2 344.415 1.981 20 30 EDEDLO C=C(C)CN(Cc1ccc(CO)o1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000343630189 445271102 /nfs/dbraw/zinc/27/11/02/445271102.db2.gz PQEHIOHEMYNMGR-UHFFFAOYSA-N 1 2 344.415 1.981 20 30 EDEDLO N#Cc1cc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)ccc1F ZINC000343638519 445276128 /nfs/dbraw/zinc/27/61/28/445276128.db2.gz DIMCEOQQNYOAQT-UHFFFAOYSA-N 1 2 344.371 1.866 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N([C@H](c2[nH+]ccn2C)c2ccccc2)C1=O ZINC000348420870 445284705 /nfs/dbraw/zinc/28/47/05/445284705.db2.gz DHIDPRJRSMQUEI-GJZGRUSLSA-N 1 2 340.383 1.633 20 30 EDEDLO C=CCOC[C@H]1NC(=O)N([C@H](c2[nH+]ccn2C)c2ccccc2)C1=O ZINC000348420868 445284784 /nfs/dbraw/zinc/28/47/84/445284784.db2.gz DHIDPRJRSMQUEI-CABCVRRESA-N 1 2 340.383 1.633 20 30 EDEDLO C[C@@H](O)CCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000354848007 445422952 /nfs/dbraw/zinc/42/29/52/445422952.db2.gz FVIORYGLZXFCQO-CQSZACIVSA-N 1 2 337.445 1.026 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)nc1 ZINC000351994086 445425433 /nfs/dbraw/zinc/42/54/33/445425433.db2.gz LKBZMVQLQCTPAB-UHFFFAOYSA-N 1 2 337.383 1.457 20 30 EDEDLO CCCN1C(=O)CC[C@H](C(=O)N[C@@H](C#N)CC)[C@@H]1c1c[nH+]cn1C ZINC000355461593 445462514 /nfs/dbraw/zinc/46/25/14/445462514.db2.gz VZJQYEFSLDMQNS-DVOMOZLQSA-N 1 2 331.420 1.528 20 30 EDEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000359872205 445469380 /nfs/dbraw/zinc/46/93/80/445469380.db2.gz GSBCJEANDLIQPU-UHFFFAOYSA-N 1 2 336.395 1.920 20 30 EDEDLO N#Cc1cccc(CNC(=O)CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000349122832 445514571 /nfs/dbraw/zinc/51/45/71/445514571.db2.gz KTYNGUPQTHVNRP-UHFFFAOYSA-N 1 2 349.438 1.387 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352450006 445530452 /nfs/dbraw/zinc/53/04/52/445530452.db2.gz PXUKBWXYUODRDP-KBPBESRZSA-N 1 2 339.411 1.504 20 30 EDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000352806809 445555471 /nfs/dbraw/zinc/55/54/71/445555471.db2.gz VRTZUKFAELDDOX-AWEZNQCLSA-N 1 2 327.446 1.975 20 30 EDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000352806809 445555478 /nfs/dbraw/zinc/55/54/78/445555478.db2.gz VRTZUKFAELDDOX-AWEZNQCLSA-N 1 2 327.446 1.975 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNS(=O)(=O)CC1(C#N)CCCC1 ZINC000352945779 445565709 /nfs/dbraw/zinc/56/57/09/445565709.db2.gz QBCRLFIHBGZBHP-UHFFFAOYSA-N 1 2 329.466 1.101 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNS(=O)(=O)CC1(C#N)CCCC1 ZINC000352945779 445565712 /nfs/dbraw/zinc/56/57/12/445565712.db2.gz QBCRLFIHBGZBHP-UHFFFAOYSA-N 1 2 329.466 1.101 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)C1CC1 ZINC000352669800 445547305 /nfs/dbraw/zinc/54/73/05/445547305.db2.gz BSRKXUPOVAETRX-MPKXVKKWSA-N 1 2 333.354 1.288 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)C1CC1 ZINC000352669800 445547310 /nfs/dbraw/zinc/54/73/10/445547310.db2.gz BSRKXUPOVAETRX-MPKXVKKWSA-N 1 2 333.354 1.288 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)CCCCC1 ZINC000352687664 445548385 /nfs/dbraw/zinc/54/83/85/445548385.db2.gz ZWNIHZCXLUUSKR-STQMWFEESA-N 1 2 347.381 1.822 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)CCCCC1 ZINC000352687664 445548390 /nfs/dbraw/zinc/54/83/90/445548390.db2.gz ZWNIHZCXLUUSKR-STQMWFEESA-N 1 2 347.381 1.822 20 30 EDEDLO CCN1CCN(C(=O)NCc2cccc(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000353461993 445613042 /nfs/dbraw/zinc/61/30/42/445613042.db2.gz SQCDLRNYUKWJPO-INIZCTEOSA-N 1 2 338.415 1.870 20 30 EDEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cnn(C)c3C#N)CC2)s1 ZINC000356173921 445661633 /nfs/dbraw/zinc/66/16/33/445661633.db2.gz QCZWERSUSOVVTA-UHFFFAOYSA-N 1 2 343.456 1.874 20 30 EDEDLO Cn1ncc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1C#N ZINC000353672477 445701401 /nfs/dbraw/zinc/70/14/01/445701401.db2.gz CCLZIJHTEOUUNV-UHFFFAOYSA-N 1 2 339.399 1.054 20 30 EDEDLO CC#CCCNC(=O)NC[C@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000349954044 445732939 /nfs/dbraw/zinc/73/29/39/445732939.db2.gz GXECZORCFUCXQZ-LSDHHAIUSA-N 1 2 336.411 1.916 20 30 EDEDLO CC#CCCNC(=O)NC[C@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000349954044 445732945 /nfs/dbraw/zinc/73/29/45/445732945.db2.gz GXECZORCFUCXQZ-LSDHHAIUSA-N 1 2 336.411 1.916 20 30 EDEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000356535156 445846728 /nfs/dbraw/zinc/84/67/28/445846728.db2.gz SBMNFMRPCIKKBV-OAHLLOKOSA-N 1 2 340.383 1.725 20 30 EDEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000356535156 445846731 /nfs/dbraw/zinc/84/67/31/445846731.db2.gz SBMNFMRPCIKKBV-OAHLLOKOSA-N 1 2 340.383 1.725 20 30 EDEDLO N#CC1CCC(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000369113159 445935777 /nfs/dbraw/zinc/93/57/77/445935777.db2.gz PHPVYIGGFRIXJA-OFLPRAFFSA-N 1 2 334.464 1.823 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369066288 445906428 /nfs/dbraw/zinc/90/64/28/445906428.db2.gz RFNQFXXFYFXJBB-DYVFJYSZSA-N 1 2 340.427 1.876 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369066288 445906433 /nfs/dbraw/zinc/90/64/33/445906433.db2.gz RFNQFXXFYFXJBB-DYVFJYSZSA-N 1 2 340.427 1.876 20 30 EDEDLO C=CCN1CC[C@@H]([NH2+]Cc2nnc3n2CCC[C@@H]3C(F)(F)F)C1=O ZINC000369148556 445953988 /nfs/dbraw/zinc/95/39/88/445953988.db2.gz VIIYBQXWQXIKGA-WDEREUQCSA-N 1 2 343.353 1.594 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364991570 445973708 /nfs/dbraw/zinc/97/37/08/445973708.db2.gz RDTUZWHXHAWDER-ZWKOTPCHSA-N 1 2 349.438 1.855 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000356731574 445973920 /nfs/dbraw/zinc/97/39/20/445973920.db2.gz RHNIZCRBLAMPEY-UONOGXRCSA-N 1 2 342.378 1.029 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000369189953 445979837 /nfs/dbraw/zinc/97/98/37/445979837.db2.gz USOWVGIFBOCNLO-CQSZACIVSA-N 1 2 347.444 1.688 20 30 EDEDLO N#C[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@]12C(=O)Nc1ccccc12 ZINC000364677015 445945693 /nfs/dbraw/zinc/94/56/93/445945693.db2.gz NJFBOKDWMUUGBB-ZETOZRRWSA-N 1 2 339.317 1.645 20 30 EDEDLO N#C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@]12C(=O)Nc1ccccc12 ZINC000364677015 445945701 /nfs/dbraw/zinc/94/57/01/445945701.db2.gz NJFBOKDWMUUGBB-ZETOZRRWSA-N 1 2 339.317 1.645 20 30 EDEDLO N#Cc1cccc(CCNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000366151243 446044350 /nfs/dbraw/zinc/04/43/50/446044350.db2.gz IOEVJHNPZHGDDF-KRWDZBQOSA-N 1 2 328.416 1.263 20 30 EDEDLO N#Cc1cccc(CCNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000366151243 446044358 /nfs/dbraw/zinc/04/43/58/446044358.db2.gz IOEVJHNPZHGDDF-KRWDZBQOSA-N 1 2 328.416 1.263 20 30 EDEDLO C=CCC1(C(=O)N2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)CCC1 ZINC000365155748 446058486 /nfs/dbraw/zinc/05/84/86/446058486.db2.gz LIGSGIYKQIHZHB-SJORKVTESA-N 1 2 335.492 1.596 20 30 EDEDLO C=CCC1(C(=O)N2CC[N@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)CCC1 ZINC000365155748 446058490 /nfs/dbraw/zinc/05/84/90/446058490.db2.gz LIGSGIYKQIHZHB-SJORKVTESA-N 1 2 335.492 1.596 20 30 EDEDLO N#CCc1cccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)c1 ZINC000366297952 446136048 /nfs/dbraw/zinc/13/60/48/446136048.db2.gz NXIIMUDCFAMFNO-IBGZPJMESA-N 1 2 343.427 1.364 20 30 EDEDLO Cc1onc(CC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1C#N ZINC000354356821 446140025 /nfs/dbraw/zinc/14/00/25/446140025.db2.gz GHGPGOSKXPJPOC-UHFFFAOYSA-N 1 2 335.367 1.958 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000351593665 446189142 /nfs/dbraw/zinc/18/91/42/446189142.db2.gz DZPOTWWCBRPVSC-HIFRSBDPSA-N 1 2 342.378 1.029 20 30 EDEDLO Cc1cc(N2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)n[nH]1 ZINC000373438835 446217217 /nfs/dbraw/zinc/21/72/17/446217217.db2.gz JAGVNKJOBULZCA-UHFFFAOYSA-N 1 2 338.415 1.028 20 30 EDEDLO COc1cc(N2CC[NH+](Cc3cccc(C#N)c3F)CC2)ncn1 ZINC000359567994 446295652 /nfs/dbraw/zinc/29/56/52/446295652.db2.gz FHNPBZYSWZCWQJ-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000366580695 446267377 /nfs/dbraw/zinc/26/73/77/446267377.db2.gz AMLOPZFOSPOTEY-RDTXWAMCSA-N 1 2 329.400 1.054 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000366580695 446267381 /nfs/dbraw/zinc/26/73/81/446267381.db2.gz AMLOPZFOSPOTEY-RDTXWAMCSA-N 1 2 329.400 1.054 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1)C1CC1 ZINC000373809170 446335480 /nfs/dbraw/zinc/33/54/80/446335480.db2.gz ICGJSBWZTHHAPR-MSOLQXFVSA-N 1 2 335.448 1.455 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1)C1CC1 ZINC000373809170 446335484 /nfs/dbraw/zinc/33/54/84/446335484.db2.gz ICGJSBWZTHHAPR-MSOLQXFVSA-N 1 2 335.448 1.455 20 30 EDEDLO N#Cc1ccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)cc1 ZINC000370570968 446336276 /nfs/dbraw/zinc/33/62/76/446336276.db2.gz XYIXYLSYEOLVEH-GOSISDBHSA-N 1 2 344.415 1.561 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000410796705 446343933 /nfs/dbraw/zinc/34/39/33/446343933.db2.gz KGZKQHDURIOOEY-HNNXBMFYSA-N 1 2 345.447 1.520 20 30 EDEDLO C=CC[C@H]1N(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCCC1(C)C ZINC000411002700 446383955 /nfs/dbraw/zinc/38/39/55/446383955.db2.gz KQPXKDYIAKHQQW-MRXNPFEDSA-N 1 2 333.476 1.886 20 30 EDEDLO N#CCOc1ccc(CC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1 ZINC000367083230 446504702 /nfs/dbraw/zinc/50/47/02/446504702.db2.gz DRZJPLTXIGLWRS-SFHVURJKSA-N 1 2 336.395 1.700 20 30 EDEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000367217592 446523449 /nfs/dbraw/zinc/52/34/49/446523449.db2.gz NWIZAXSYKAGKNB-KBPBESRZSA-N 1 2 347.337 1.222 20 30 EDEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000367217592 446523453 /nfs/dbraw/zinc/52/34/53/446523453.db2.gz NWIZAXSYKAGKNB-KBPBESRZSA-N 1 2 347.337 1.222 20 30 EDEDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000420436627 446610973 /nfs/dbraw/zinc/61/09/73/446610973.db2.gz IRVXPSWPZOVDHV-CYBMUJFWSA-N 1 2 331.800 1.534 20 30 EDEDLO N#CCc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000453639269 446578298 /nfs/dbraw/zinc/57/82/98/446578298.db2.gz OTVORHGGATZKQE-UHFFFAOYSA-N 1 2 346.818 1.651 20 30 EDEDLO COc1ccncc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000367737514 446582261 /nfs/dbraw/zinc/58/22/61/446582261.db2.gz MQJGWYSSMGLOHD-LIRRHRJNSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1ccncc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000367737514 446582266 /nfs/dbraw/zinc/58/22/66/446582266.db2.gz MQJGWYSSMGLOHD-LIRRHRJNSA-N 1 2 334.379 1.936 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000434700289 446658383 /nfs/dbraw/zinc/65/83/83/446658383.db2.gz SMJDLQIIUGLAOI-CQSZACIVSA-N 1 2 341.415 1.761 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368067317 446624390 /nfs/dbraw/zinc/62/43/90/446624390.db2.gz WJIAUZQEKFMIMO-MJGOQNOKSA-N 1 2 341.455 1.783 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368067317 446624393 /nfs/dbraw/zinc/62/43/93/446624393.db2.gz WJIAUZQEKFMIMO-MJGOQNOKSA-N 1 2 341.455 1.783 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000438446143 446793696 /nfs/dbraw/zinc/79/36/96/446793696.db2.gz LPWSAIYACBBQLY-KBXCAEBGSA-N 1 2 348.447 1.256 20 30 EDEDLO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441010160 446861764 /nfs/dbraw/zinc/86/17/64/446861764.db2.gz HXXXGFFSKOJCIU-GJZGRUSLSA-N 1 2 344.411 1.311 20 30 EDEDLO C=CCC[C@H](O)C[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000441010160 446861775 /nfs/dbraw/zinc/86/17/75/446861775.db2.gz HXXXGFFSKOJCIU-GJZGRUSLSA-N 1 2 344.411 1.311 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441177598 446864602 /nfs/dbraw/zinc/86/46/02/446864602.db2.gz VXFBMEZOBXFTKS-AWEZNQCLSA-N 1 2 340.876 1.953 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000441177598 446864608 /nfs/dbraw/zinc/86/46/08/446864608.db2.gz VXFBMEZOBXFTKS-AWEZNQCLSA-N 1 2 340.876 1.953 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC000441351266 446867642 /nfs/dbraw/zinc/86/76/42/446867642.db2.gz IJPWMKQNOJIULW-INIZCTEOSA-N 1 2 331.460 1.894 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC000441351266 446867643 /nfs/dbraw/zinc/86/76/43/446867643.db2.gz IJPWMKQNOJIULW-INIZCTEOSA-N 1 2 331.460 1.894 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2ccc(C(=O)NC)n2C)C1=O ZINC000375613860 446923837 /nfs/dbraw/zinc/92/38/37/446923837.db2.gz PKKFGPWLZQFEKN-DOTOQJQBSA-N 1 2 344.459 1.699 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2ccc(C(=O)NC)n2C)C1=O ZINC000375613860 446923845 /nfs/dbraw/zinc/92/38/45/446923845.db2.gz PKKFGPWLZQFEKN-DOTOQJQBSA-N 1 2 344.459 1.699 20 30 EDEDLO CC#CC[NH+]1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000371639703 446940588 /nfs/dbraw/zinc/94/05/88/446940588.db2.gz YWPBMUNUEHUSLA-IBGZPJMESA-N 1 2 325.456 1.819 20 30 EDEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000375709367 446991108 /nfs/dbraw/zinc/99/11/08/446991108.db2.gz DXKPXDMKSOUAQQ-UHFFFAOYSA-N 1 2 334.807 1.106 20 30 EDEDLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000375709367 446991114 /nfs/dbraw/zinc/99/11/14/446991114.db2.gz DXKPXDMKSOUAQQ-UHFFFAOYSA-N 1 2 334.807 1.106 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1)OCC ZINC000372305732 447036535 /nfs/dbraw/zinc/03/65/35/447036535.db2.gz VEDJHPJLIVYWRS-OAHLLOKOSA-N 1 2 337.464 1.300 20 30 EDEDLO C=CCCCCNC(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000368703439 447052390 /nfs/dbraw/zinc/05/23/90/447052390.db2.gz GYXDERVMGDAPMB-AWEZNQCLSA-N 1 2 332.452 1.631 20 30 EDEDLO C=CCCCCNC(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000368703439 447052398 /nfs/dbraw/zinc/05/23/98/447052398.db2.gz GYXDERVMGDAPMB-AWEZNQCLSA-N 1 2 332.452 1.631 20 30 EDEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)N2CCN(C)[C@H](C#N)C2)c1 ZINC000368707198 447055127 /nfs/dbraw/zinc/05/51/27/447055127.db2.gz OYBKCIPJZWDCOZ-MRXNPFEDSA-N 1 2 338.415 1.436 20 30 EDEDLO C[C@H](O)CNc1cc(N(C)CCOCc2ccc(C#N)cc2)nc[nH+]1 ZINC000413301441 447124634 /nfs/dbraw/zinc/12/46/34/447124634.db2.gz ONSYWOLHZUZIFG-AWEZNQCLSA-N 1 2 341.415 1.794 20 30 EDEDLO C[C@H](O)CNc1cc(N(C)CCOCc2ccc(C#N)cc2)[nH+]cn1 ZINC000413301441 447124639 /nfs/dbraw/zinc/12/46/39/447124639.db2.gz ONSYWOLHZUZIFG-AWEZNQCLSA-N 1 2 341.415 1.794 20 30 EDEDLO CCCCCCCCC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000372527135 447111876 /nfs/dbraw/zinc/11/18/76/447111876.db2.gz NSDJVCYCTQQECP-OAHLLOKOSA-N 1 2 327.469 1.382 20 30 EDEDLO CCCCCCCCC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000372527135 447111879 /nfs/dbraw/zinc/11/18/79/447111879.db2.gz NSDJVCYCTQQECP-OAHLLOKOSA-N 1 2 327.469 1.382 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)nc1 ZINC000377489650 447159824 /nfs/dbraw/zinc/15/98/24/447159824.db2.gz DUNJWVIVSMCWQG-HUUCEWRRSA-N 1 2 335.429 1.370 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)nc1 ZINC000377489650 447159832 /nfs/dbraw/zinc/15/98/32/447159832.db2.gz DUNJWVIVSMCWQG-HUUCEWRRSA-N 1 2 335.429 1.370 20 30 EDEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000425490165 447189030 /nfs/dbraw/zinc/18/90/30/447189030.db2.gz OXCISUMMVJEBBD-MEBBXXQBSA-N 1 2 338.433 1.635 20 30 EDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)C3CCC3)CC2)cc1 ZINC000368923149 447203494 /nfs/dbraw/zinc/20/34/94/447203494.db2.gz UTGMSWNOKIOSJR-UHFFFAOYSA-N 1 2 340.427 1.877 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)C1=O ZINC000425515466 447204822 /nfs/dbraw/zinc/20/48/22/447204822.db2.gz WZLPMHVWXAXIBF-MCIONIFRSA-N 1 2 336.338 1.576 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)C1=O ZINC000425515466 447204823 /nfs/dbraw/zinc/20/48/23/447204823.db2.gz WZLPMHVWXAXIBF-MCIONIFRSA-N 1 2 336.338 1.576 20 30 EDEDLO Cc1noc(COc2ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc2)n1 ZINC000414118905 447276524 /nfs/dbraw/zinc/27/65/24/447276524.db2.gz ABNQRTPBWHAQOG-CQSZACIVSA-N 1 2 346.387 1.542 20 30 EDEDLO Cc1noc(COc2ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc2)n1 ZINC000414118905 447276528 /nfs/dbraw/zinc/27/65/28/447276528.db2.gz ABNQRTPBWHAQOG-CQSZACIVSA-N 1 2 346.387 1.542 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CN1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000414155043 447278599 /nfs/dbraw/zinc/27/85/99/447278599.db2.gz UWJYLEKHUNTSRE-KRWDZBQOSA-N 1 2 340.431 1.008 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CN1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000414155043 447278605 /nfs/dbraw/zinc/27/86/05/447278605.db2.gz UWJYLEKHUNTSRE-KRWDZBQOSA-N 1 2 340.431 1.008 20 30 EDEDLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)[C@H](C)C#N ZINC000416408882 447593517 /nfs/dbraw/zinc/59/35/17/447593517.db2.gz SJKUOGAPHJJLKJ-HUUCEWRRSA-N 1 2 336.461 1.029 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000416475055 447615279 /nfs/dbraw/zinc/61/52/79/447615279.db2.gz SVNDHRGYEAQMHC-NSHDSACASA-N 1 2 327.837 1.530 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000416475055 447615284 /nfs/dbraw/zinc/61/52/84/447615284.db2.gz SVNDHRGYEAQMHC-NSHDSACASA-N 1 2 327.837 1.530 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1C ZINC000408040237 447622862 /nfs/dbraw/zinc/62/28/62/447622862.db2.gz FSPJJCMMVAZNQP-NEPJUHHUSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@H]1C ZINC000408040237 447622871 /nfs/dbraw/zinc/62/28/71/447622871.db2.gz FSPJJCMMVAZNQP-NEPJUHHUSA-N 1 2 325.409 1.801 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416702439 447674909 /nfs/dbraw/zinc/67/49/09/447674909.db2.gz YEDIQIOJWSGGBM-KBXCAEBGSA-N 1 2 342.443 1.956 20 30 EDEDLO N#Cc1ccnc(NCc2ccc[nH+]c2N2CCOCC2)c1Cl ZINC000429186691 447734499 /nfs/dbraw/zinc/73/44/99/447734499.db2.gz HMPRAOXOWTXGJY-UHFFFAOYSA-N 1 2 329.791 2.450 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000459827279 447765155 /nfs/dbraw/zinc/76/51/55/447765155.db2.gz YAOJRHQXYGHTSD-UHFFFAOYSA-N 1 2 330.432 1.463 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cnnn2Cc2ccccc2)C1=O ZINC000430082790 447766086 /nfs/dbraw/zinc/76/60/86/447766086.db2.gz SRQYARURHDWDKG-QGZVFWFLSA-N 1 2 325.416 1.545 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cnnn2Cc2ccccc2)C1=O ZINC000430082790 447766087 /nfs/dbraw/zinc/76/60/87/447766087.db2.gz SRQYARURHDWDKG-QGZVFWFLSA-N 1 2 325.416 1.545 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451995765 447798222 /nfs/dbraw/zinc/79/82/22/447798222.db2.gz OYZRBOLUHSIYEB-UKRRQHHQSA-N 1 2 343.431 1.621 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000451995765 447798225 /nfs/dbraw/zinc/79/82/25/447798225.db2.gz OYZRBOLUHSIYEB-UKRRQHHQSA-N 1 2 343.431 1.621 20 30 EDEDLO CCOc1cccc(C[N@H+](CCO)CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000452056282 447808421 /nfs/dbraw/zinc/80/84/21/447808421.db2.gz WAWRRGJBXIYGSX-LJQANCHMSA-N 1 2 345.443 1.688 20 30 EDEDLO CCOc1cccc(C[N@@H+](CCO)CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000452056282 447808423 /nfs/dbraw/zinc/80/84/23/447808423.db2.gz WAWRRGJBXIYGSX-LJQANCHMSA-N 1 2 345.443 1.688 20 30 EDEDLO CCOc1cccc(C[N@H+](CCO)CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000452055572 447808546 /nfs/dbraw/zinc/80/85/46/447808546.db2.gz UTHRIEOCHDDCLE-IBGZPJMESA-N 1 2 347.459 1.934 20 30 EDEDLO CCOc1cccc(C[N@@H+](CCO)CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000452055572 447808550 /nfs/dbraw/zinc/80/85/50/447808550.db2.gz UTHRIEOCHDDCLE-IBGZPJMESA-N 1 2 347.459 1.934 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1)OCC ZINC000478878113 447821642 /nfs/dbraw/zinc/82/16/42/447821642.db2.gz YDBXLXUXSHUXCV-DLBZAZTESA-N 1 2 340.464 1.307 20 30 EDEDLO N#Cc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cnc1C(F)(F)F ZINC000575735902 447885129 /nfs/dbraw/zinc/88/51/29/447885129.db2.gz QUWOHGOHHNKUOE-JTQLQIEISA-N 1 2 335.289 1.982 20 30 EDEDLO N#Cc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cnc1C(F)(F)F ZINC000575735902 447885138 /nfs/dbraw/zinc/88/51/38/447885138.db2.gz QUWOHGOHHNKUOE-JTQLQIEISA-N 1 2 335.289 1.982 20 30 EDEDLO CCOC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000490830540 447897809 /nfs/dbraw/zinc/89/78/09/447897809.db2.gz FYTSQAHJGDKPQM-MRXNPFEDSA-N 1 2 344.415 1.385 20 30 EDEDLO CCOC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000490830540 447897811 /nfs/dbraw/zinc/89/78/11/447897811.db2.gz FYTSQAHJGDKPQM-MRXNPFEDSA-N 1 2 344.415 1.385 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000491155495 447941700 /nfs/dbraw/zinc/94/17/00/447941700.db2.gz RSIOHIRNWLNJDQ-LBPRGKRZSA-N 1 2 348.834 1.523 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000491253850 447973457 /nfs/dbraw/zinc/97/34/57/447973457.db2.gz PVNLIMLTPKMVNX-AWEZNQCLSA-N 1 2 328.347 1.555 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(CCC)CC(=O)Nc1ccccc1OC ZINC000491253059 447973830 /nfs/dbraw/zinc/97/38/30/447973830.db2.gz LNXIFUVSUNKPKS-OAHLLOKOSA-N 1 2 345.443 1.826 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(CCC)CC(=O)Nc1ccccc1OC ZINC000491253059 447973836 /nfs/dbraw/zinc/97/38/36/447973836.db2.gz LNXIFUVSUNKPKS-OAHLLOKOSA-N 1 2 345.443 1.826 20 30 EDEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000554999555 448059595 /nfs/dbraw/zinc/05/95/95/448059595.db2.gz FSHLBTUATVTQRX-UHFFFAOYSA-N 1 2 338.375 1.608 20 30 EDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000491737461 448094104 /nfs/dbraw/zinc/09/41/04/448094104.db2.gz LVCAYFNIENFTTN-INIZCTEOSA-N 1 2 341.411 1.476 20 30 EDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000491737461 448094108 /nfs/dbraw/zinc/09/41/08/448094108.db2.gz LVCAYFNIENFTTN-INIZCTEOSA-N 1 2 341.411 1.476 20 30 EDEDLO N#CCNC(=O)C[NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000507221207 448136297 /nfs/dbraw/zinc/13/62/97/448136297.db2.gz GWPBDUFTOBHIHS-SFHVURJKSA-N 1 2 336.395 1.273 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000531949606 448175618 /nfs/dbraw/zinc/17/56/18/448175618.db2.gz CDTOVTKXDBZMNB-ZWKOTPCHSA-N 1 2 341.455 1.899 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H]2CCCc3ccccc32)C1=O ZINC000531949606 448175623 /nfs/dbraw/zinc/17/56/23/448175623.db2.gz CDTOVTKXDBZMNB-ZWKOTPCHSA-N 1 2 341.455 1.899 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)c1C#N ZINC000527315390 448208677 /nfs/dbraw/zinc/20/86/77/448208677.db2.gz UFPNLGDUXNKHJW-UHFFFAOYSA-N 1 2 344.444 1.083 20 30 EDEDLO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000532320679 448235202 /nfs/dbraw/zinc/23/52/02/448235202.db2.gz GUEHGRLXTYPHAK-SNVBAGLBSA-N 1 2 329.372 1.457 20 30 EDEDLO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000532320679 448235208 /nfs/dbraw/zinc/23/52/08/448235208.db2.gz GUEHGRLXTYPHAK-SNVBAGLBSA-N 1 2 329.372 1.457 20 30 EDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000591065918 448250796 /nfs/dbraw/zinc/25/07/96/448250796.db2.gz VSKYBJFKOVNPLE-CEXWTWQISA-N 1 2 339.439 1.985 20 30 EDEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000577369051 448277748 /nfs/dbraw/zinc/27/77/48/448277748.db2.gz UGZDCYBWZWGONI-UHFFFAOYSA-N 1 2 344.440 1.833 20 30 EDEDLO C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000562519860 448257883 /nfs/dbraw/zinc/25/78/83/448257883.db2.gz QSPRPNNVSJLSIF-PIGZYNQJSA-N 1 2 325.372 1.888 20 30 EDEDLO C[C@H]1C(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C(=O)N1c1ccccc1 ZINC000582892237 448368766 /nfs/dbraw/zinc/36/87/66/448368766.db2.gz AUWMUVRSOXQMCK-DZGCQCFKSA-N 1 2 330.388 1.050 20 30 EDEDLO C[C@H]1C(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C(=O)N1c1ccccc1 ZINC000582892237 448368770 /nfs/dbraw/zinc/36/87/70/448368770.db2.gz AUWMUVRSOXQMCK-DZGCQCFKSA-N 1 2 330.388 1.050 20 30 EDEDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)CCC(C)(C)C#N ZINC000583111587 448424448 /nfs/dbraw/zinc/42/44/48/448424448.db2.gz DSJJHOBSPGKGNZ-UHFFFAOYSA-N 1 2 345.509 1.546 20 30 EDEDLO C=CCC1(C(=O)N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CCC1 ZINC000583178941 448426428 /nfs/dbraw/zinc/42/64/28/448426428.db2.gz WLJGIOCHBCJAQV-AWEZNQCLSA-N 1 2 330.432 1.774 20 30 EDEDLO CCN(Cc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1)C(C)=O ZINC000583990123 448467786 /nfs/dbraw/zinc/46/77/86/448467786.db2.gz GYBNUZYQAZKMFD-GOSISDBHSA-N 1 2 332.448 1.673 20 30 EDEDLO CCN(Cc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1)C(C)=O ZINC000583990123 448467789 /nfs/dbraw/zinc/46/77/89/448467789.db2.gz GYBNUZYQAZKMFD-GOSISDBHSA-N 1 2 332.448 1.673 20 30 EDEDLO COc1ccc(COCCCC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1 ZINC000584354575 448497356 /nfs/dbraw/zinc/49/73/56/448497356.db2.gz RCHKMNQXDLWQCP-SFHVURJKSA-N 1 2 333.432 1.952 20 30 EDEDLO C=CC[NH+]1CCC(NC(=O)c2cc(S(C)(=O)=O)c(C)o2)CC1 ZINC000528450517 448534361 /nfs/dbraw/zinc/53/43/61/448534361.db2.gz UFRSJZVUPDSCOB-UHFFFAOYSA-N 1 2 326.418 1.372 20 30 EDEDLO COc1ccc2ncc(C#N)c(NC[C@@H]3CN(C)CC[N@@H+]3C)c2c1 ZINC000591912948 448570925 /nfs/dbraw/zinc/57/09/25/448570925.db2.gz WZBDMPPVNXRXKR-CQSZACIVSA-N 1 2 325.416 1.195 20 30 EDEDLO COc1ccc2ncc(C#N)c(NC[C@@H]3CN(C)CC[N@H+]3C)c2c1 ZINC000591912948 448570931 /nfs/dbraw/zinc/57/09/31/448570931.db2.gz WZBDMPPVNXRXKR-CQSZACIVSA-N 1 2 325.416 1.195 20 30 EDEDLO N#CCc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000517135968 448541719 /nfs/dbraw/zinc/54/17/19/448541719.db2.gz VQYIHTGWLJOQDP-SFHVURJKSA-N 1 2 342.443 1.759 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(CCC(N)=O)c1ccccc1OC ZINC000573383627 448613646 /nfs/dbraw/zinc/61/36/46/448613646.db2.gz AYPMDIYLQHQXTM-ZDUSSCGKSA-N 1 2 332.404 1.185 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000573318183 448595710 /nfs/dbraw/zinc/59/57/10/448595710.db2.gz KNMYKYGONKMHPY-JLCFBVMHSA-N 1 2 343.880 1.837 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000573318183 448595712 /nfs/dbraw/zinc/59/57/12/448595712.db2.gz KNMYKYGONKMHPY-JLCFBVMHSA-N 1 2 343.880 1.837 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCSC[C@@H]1C(N)=O ZINC000540237812 448633575 /nfs/dbraw/zinc/63/35/75/448633575.db2.gz PNOGAHBJDUKEDE-HUUCEWRRSA-N 1 2 336.457 1.058 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000540237812 448633579 /nfs/dbraw/zinc/63/35/79/448633579.db2.gz PNOGAHBJDUKEDE-HUUCEWRRSA-N 1 2 336.457 1.058 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146486 448705802 /nfs/dbraw/zinc/70/58/02/448705802.db2.gz IIQKZFHDNBGXPK-MEDUHNTESA-N 1 2 339.342 1.965 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146486 448705809 /nfs/dbraw/zinc/70/58/09/448705809.db2.gz IIQKZFHDNBGXPK-MEDUHNTESA-N 1 2 339.342 1.965 20 30 EDEDLO CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592151832 448713345 /nfs/dbraw/zinc/71/33/45/448713345.db2.gz RPOSOBPNOHGRQP-GOSISDBHSA-N 1 2 331.416 1.190 20 30 EDEDLO CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592151832 448713350 /nfs/dbraw/zinc/71/33/50/448713350.db2.gz RPOSOBPNOHGRQP-GOSISDBHSA-N 1 2 331.416 1.190 20 30 EDEDLO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000567679914 448736298 /nfs/dbraw/zinc/73/62/98/448736298.db2.gz IVEDMCXASGSWJP-DLBZAZTESA-N 1 2 345.422 1.445 20 30 EDEDLO Cn1ccnc1[C@H](NC[C@H](O)C[N@H+](C)CCC#N)c1ccc(F)cc1 ZINC000567679914 448736301 /nfs/dbraw/zinc/73/63/01/448736301.db2.gz IVEDMCXASGSWJP-DLBZAZTESA-N 1 2 345.422 1.445 20 30 EDEDLO Cn1ccnc1[C@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1ccc(F)cc1 ZINC000567679914 448736305 /nfs/dbraw/zinc/73/63/05/448736305.db2.gz IVEDMCXASGSWJP-DLBZAZTESA-N 1 2 345.422 1.445 20 30 EDEDLO CCCCN(C(=O)C[NH2+][C@@H](CC)CC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000574170783 448809643 /nfs/dbraw/zinc/80/96/43/448809643.db2.gz SCDBEKGNGCXYRI-UONOGXRCSA-N 1 2 329.466 1.084 20 30 EDEDLO CCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC000567994685 448796179 /nfs/dbraw/zinc/79/61/79/448796179.db2.gz RREDWADUVRMZAJ-AWEZNQCLSA-N 1 2 330.344 1.436 20 30 EDEDLO CCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC000567994685 448796185 /nfs/dbraw/zinc/79/61/85/448796185.db2.gz RREDWADUVRMZAJ-AWEZNQCLSA-N 1 2 330.344 1.436 20 30 EDEDLO CN1CCN(C(=O)Cc2c(F)cccc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000586809541 448816057 /nfs/dbraw/zinc/81/60/57/448816057.db2.gz OWRQVUNJBZHKQA-OAHLLOKOSA-N 1 2 327.363 1.478 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000574754961 448948499 /nfs/dbraw/zinc/94/84/99/448948499.db2.gz QSCFSQITTRDCKX-UHFFFAOYSA-N 1 2 325.376 1.036 20 30 EDEDLO Cc1nc(C#N)c(N2CCC(C(=O)N[C@](C)(C#N)C[NH+](C)C)CC2)o1 ZINC000593154777 449153863 /nfs/dbraw/zinc/15/38/63/449153863.db2.gz BMCHSPJAKDWMFE-QGZVFWFLSA-N 1 2 344.419 1.031 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CCF)C2)nc1 ZINC000595754833 449148903 /nfs/dbraw/zinc/14/89/03/449148903.db2.gz CVTXUMQIHATRAK-ZDUSSCGKSA-N 1 2 325.409 1.799 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CCF)C2)nc1 ZINC000595754833 449148910 /nfs/dbraw/zinc/14/89/10/449148910.db2.gz CVTXUMQIHATRAK-ZDUSSCGKSA-N 1 2 325.409 1.799 20 30 EDEDLO N#Cc1sccc1N1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000597939947 449151121 /nfs/dbraw/zinc/15/11/21/449151121.db2.gz XBEFHJDPXBSEGH-ZDUSSCGKSA-N 1 2 341.440 1.727 20 30 EDEDLO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1nnc2n1CCCCC2 ZINC000595802073 449175217 /nfs/dbraw/zinc/17/52/17/449175217.db2.gz YSANGMCSJLYZDZ-UONOGXRCSA-N 1 2 344.463 1.996 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)CSc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000597995031 449179976 /nfs/dbraw/zinc/17/99/76/449179976.db2.gz DJEQLTZZMRDWIT-KBPBESRZSA-N 1 2 333.457 1.876 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)CSc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000597995031 449179983 /nfs/dbraw/zinc/17/99/83/449179983.db2.gz DJEQLTZZMRDWIT-KBPBESRZSA-N 1 2 333.457 1.876 20 30 EDEDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000595823000 449187390 /nfs/dbraw/zinc/18/73/90/449187390.db2.gz CCXBJFPUVSGZPS-AWEZNQCLSA-N 1 2 331.376 1.654 20 30 EDEDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000595823000 449187393 /nfs/dbraw/zinc/18/73/93/449187393.db2.gz CCXBJFPUVSGZPS-AWEZNQCLSA-N 1 2 331.376 1.654 20 30 EDEDLO CC1(C)COC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000590836779 449314843 /nfs/dbraw/zinc/31/48/43/449314843.db2.gz OGZJRAHSRNOLOC-KRWDZBQOSA-N 1 2 342.443 1.810 20 30 EDEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000611551122 449333587 /nfs/dbraw/zinc/33/35/87/449333587.db2.gz NGLDLQPHUASFSV-SFHVURJKSA-N 1 2 340.402 1.870 20 30 EDEDLO CCc1c[nH]c(CC(=O)N2CCN(c3snc(C)c3C#N)CC2)[nH+]1 ZINC000602152681 449387472 /nfs/dbraw/zinc/38/74/72/449387472.db2.gz HPZBQKIHYHAZFV-UHFFFAOYSA-N 1 2 344.444 1.500 20 30 EDEDLO N#Cc1sccc1N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000596353485 449480707 /nfs/dbraw/zinc/48/07/07/449480707.db2.gz ZOBXRJAIFOPYIF-UHFFFAOYSA-N 1 2 337.412 1.922 20 30 EDEDLO C[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471485 449537967 /nfs/dbraw/zinc/53/79/67/449537967.db2.gz FORLFOBFNLIWSI-KFWWJZLASA-N 1 2 343.493 1.487 20 30 EDEDLO C[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471485 449537972 /nfs/dbraw/zinc/53/79/72/449537972.db2.gz FORLFOBFNLIWSI-KFWWJZLASA-N 1 2 343.493 1.487 20 30 EDEDLO C[C@H](C#N)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000596551322 449550020 /nfs/dbraw/zinc/55/00/20/449550020.db2.gz HTSFKNGJAWVFGY-NVXWUHKLSA-N 1 2 329.448 1.261 20 30 EDEDLO C[C@H](C#N)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000596551322 449550023 /nfs/dbraw/zinc/55/00/23/449550023.db2.gz HTSFKNGJAWVFGY-NVXWUHKLSA-N 1 2 329.448 1.261 20 30 EDEDLO N#Cc1cc(O)cc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000614361291 449578267 /nfs/dbraw/zinc/57/82/67/449578267.db2.gz ZFEPURWUDTUTPX-UHFFFAOYSA-N 1 2 338.367 1.425 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612165361 449595647 /nfs/dbraw/zinc/59/56/47/449595647.db2.gz KLYLNTWBLUIILL-YJBOKZPZSA-N 1 2 332.400 1.839 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612165361 449595651 /nfs/dbraw/zinc/59/56/51/449595651.db2.gz KLYLNTWBLUIILL-YJBOKZPZSA-N 1 2 332.400 1.839 20 30 EDEDLO CCOC(=O)C1CC[NH+](Cc2cn(-c3ccccc3C#N)nn2)CC1 ZINC000600970051 449623325 /nfs/dbraw/zinc/62/33/25/449623325.db2.gz DGSPJQAKOSKHQZ-UHFFFAOYSA-N 1 2 339.399 1.914 20 30 EDEDLO COc1cncc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1C ZINC000602483846 449626544 /nfs/dbraw/zinc/62/65/44/449626544.db2.gz JJYJAIUBWBWIGG-ZDUSSCGKSA-N 1 2 338.415 1.771 20 30 EDEDLO COc1cncc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1C ZINC000602483846 449626548 /nfs/dbraw/zinc/62/65/48/449626548.db2.gz JJYJAIUBWBWIGG-ZDUSSCGKSA-N 1 2 338.415 1.771 20 30 EDEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000598949735 449665288 /nfs/dbraw/zinc/66/52/88/449665288.db2.gz NHWPBGAMLDYCNM-GDBMZVCRSA-N 1 2 343.427 1.901 20 30 EDEDLO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000598949735 449665294 /nfs/dbraw/zinc/66/52/94/449665294.db2.gz NHWPBGAMLDYCNM-GDBMZVCRSA-N 1 2 343.427 1.901 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCCC[C@@H]3C#N)C2)CC1 ZINC000596772325 449643157 /nfs/dbraw/zinc/64/31/57/449643157.db2.gz QTKAFYKCEXPUHM-ZACQAIPSSA-N 1 2 333.480 1.490 20 30 EDEDLO N#Cc1cnc(N2CC[NH+](CCc3cnccn3)CC2)c(Cl)c1 ZINC000601253516 449776303 /nfs/dbraw/zinc/77/63/03/449776303.db2.gz TYPXUXOGSFPLEU-UHFFFAOYSA-N 1 2 328.807 1.761 20 30 EDEDLO COCCOc1cc2c(cc1C[NH+]1CCN(CCC#N)CC1)OCO2 ZINC000602747596 449781750 /nfs/dbraw/zinc/78/17/50/449781750.db2.gz CWQJQOKBADKQJK-UHFFFAOYSA-N 1 2 347.415 1.472 20 30 EDEDLO CCOC(=O)c1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)on1 ZINC000602671332 449742697 /nfs/dbraw/zinc/74/26/97/449742697.db2.gz HCEGJHPEDOQEKX-UHFFFAOYSA-N 1 2 341.371 1.440 20 30 EDEDLO N#Cc1c[nH]c(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601240163 449768199 /nfs/dbraw/zinc/76/81/99/449768199.db2.gz VMXOMDVKXNTPNZ-UHFFFAOYSA-N 1 2 327.413 1.765 20 30 EDEDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599259595 449839462 /nfs/dbraw/zinc/83/94/62/449839462.db2.gz NJUUKSAAFFCRTP-INIZCTEOSA-N 1 2 328.460 1.899 20 30 EDEDLO C=C[C@H](O)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000612788277 449879143 /nfs/dbraw/zinc/87/91/43/449879143.db2.gz VVWAVELJFHRRSX-QGTPRVQTSA-N 1 2 331.460 1.996 20 30 EDEDLO C=C[C@H](O)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000612788277 449879150 /nfs/dbraw/zinc/87/91/50/449879150.db2.gz VVWAVELJFHRRSX-QGTPRVQTSA-N 1 2 331.460 1.996 20 30 EDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000602876054 449884330 /nfs/dbraw/zinc/88/43/30/449884330.db2.gz XJHBZZLQZRFSAI-UHFFFAOYSA-N 1 2 325.359 1.312 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC)C[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000602952124 449954251 /nfs/dbraw/zinc/95/42/51/449954251.db2.gz NUIGOXYWNLVDNE-RDTXWAMCSA-N 1 2 348.399 1.598 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC)C[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000602952124 449954256 /nfs/dbraw/zinc/95/42/56/449954256.db2.gz NUIGOXYWNLVDNE-RDTXWAMCSA-N 1 2 348.399 1.598 20 30 EDEDLO N#CC1(CNC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCCC1 ZINC000597397348 449996546 /nfs/dbraw/zinc/99/65/46/449996546.db2.gz OMTNNFSBLSYCSI-UHFFFAOYSA-N 1 2 343.431 1.706 20 30 EDEDLO N#CC1(CNC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCCC1 ZINC000597397348 449996551 /nfs/dbraw/zinc/99/65/51/449996551.db2.gz OMTNNFSBLSYCSI-UHFFFAOYSA-N 1 2 343.431 1.706 20 30 EDEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000609134728 449964538 /nfs/dbraw/zinc/96/45/38/449964538.db2.gz MWPQXJYVAVYZEI-ZDUSSCGKSA-N 1 2 334.376 1.920 20 30 EDEDLO Cn1ccnc1[C@H]1[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1(C)C ZINC000599434347 449973680 /nfs/dbraw/zinc/97/36/80/449973680.db2.gz ZGZIUVWCTIZFCI-LSDHHAIUSA-N 1 2 332.448 1.874 20 30 EDEDLO Cn1ccnc1[C@H]1[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1(C)C ZINC000599434347 449973687 /nfs/dbraw/zinc/97/36/87/449973687.db2.gz ZGZIUVWCTIZFCI-LSDHHAIUSA-N 1 2 332.448 1.874 20 30 EDEDLO CCN1C[C@H](C[N@H+](C)CC(=O)NC2(C#N)CCC2)Oc2ccccc21 ZINC000615223443 450007949 /nfs/dbraw/zinc/00/79/49/450007949.db2.gz OPEAGHQECMMJPL-HNNXBMFYSA-N 1 2 342.443 1.768 20 30 EDEDLO CCN1C[C@H](C[N@@H+](C)CC(=O)NC2(C#N)CCC2)Oc2ccccc21 ZINC000615223443 450007954 /nfs/dbraw/zinc/00/79/54/450007954.db2.gz OPEAGHQECMMJPL-HNNXBMFYSA-N 1 2 342.443 1.768 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCN(CCC#N)CC1 ZINC000601545024 450065620 /nfs/dbraw/zinc/06/56/20/450065620.db2.gz NGJOWQIODMSBTE-UHFFFAOYSA-N 1 2 340.431 1.586 20 30 EDEDLO C[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[C@H](C)N1CC#N ZINC000603106750 450070706 /nfs/dbraw/zinc/07/07/06/450070706.db2.gz SIWYOXKDGDRWHH-IYBDPMFKSA-N 1 2 337.427 1.990 20 30 EDEDLO N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000613146263 450048465 /nfs/dbraw/zinc/04/84/65/450048465.db2.gz LTBAGBYPGDQTNC-DZGCQCFKSA-N 1 2 332.408 1.029 20 30 EDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000599586775 450087772 /nfs/dbraw/zinc/08/77/72/450087772.db2.gz DZXXZTCAIBNKNG-HOTGVXAUSA-N 1 2 330.384 1.793 20 30 EDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000599586775 450087776 /nfs/dbraw/zinc/08/77/76/450087776.db2.gz DZXXZTCAIBNKNG-HOTGVXAUSA-N 1 2 330.384 1.793 20 30 EDEDLO COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595384623 450099695 /nfs/dbraw/zinc/09/96/95/450099695.db2.gz ZQELXFVHAJKDMG-JTQLQIEISA-N 1 2 348.384 1.118 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000595394717 450108757 /nfs/dbraw/zinc/10/87/57/450108757.db2.gz ZFDPKTPIDSWYLA-MRXNPFEDSA-N 1 2 342.424 1.506 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000595394717 450108761 /nfs/dbraw/zinc/10/87/61/450108761.db2.gz ZFDPKTPIDSWYLA-MRXNPFEDSA-N 1 2 342.424 1.506 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](CCO[C@H]3CC3(F)F)CC2)c1C#N ZINC000595458487 450154997 /nfs/dbraw/zinc/15/49/97/450154997.db2.gz RXEMDKYZPBWPQO-ZDUSSCGKSA-N 1 2 325.363 1.146 20 30 EDEDLO CC(=O)N1CC[NH+](CCNc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613411800 450167891 /nfs/dbraw/zinc/16/78/91/450167891.db2.gz PFOPQGHWZQWRSJ-UHFFFAOYSA-N 1 2 329.448 1.827 20 30 EDEDLO C=C(C)C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(=O)OC ZINC000601786865 450239399 /nfs/dbraw/zinc/23/93/99/450239399.db2.gz UHZXCWDQRGBNRZ-KRWDZBQOSA-N 1 2 346.427 1.756 20 30 EDEDLO COCCN(CCC#N)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000610557668 450260445 /nfs/dbraw/zinc/26/04/45/450260445.db2.gz KAWWXQLRQXARRN-UHFFFAOYSA-N 1 2 346.431 1.913 20 30 EDEDLO CC(C)OC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000613753269 450299625 /nfs/dbraw/zinc/29/96/25/450299625.db2.gz AWRLTQIPAYZNGX-HKUYNNGSSA-N 1 2 348.443 1.618 20 30 EDEDLO CC(C)OC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000613753269 450299626 /nfs/dbraw/zinc/29/96/26/450299626.db2.gz AWRLTQIPAYZNGX-HKUYNNGSSA-N 1 2 348.443 1.618 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619880889 450350970 /nfs/dbraw/zinc/35/09/70/450350970.db2.gz KEPXGMIZSRISNQ-KRWDZBQOSA-N 1 2 337.464 1.028 20 30 EDEDLO C=CC[C@H]1CC[N@@H+](CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000625700060 450481930 /nfs/dbraw/zinc/48/19/30/450481930.db2.gz IPLNCENFKWPMRX-JKSUJKDBSA-N 1 2 342.505 1.700 20 30 EDEDLO C=CC[C@H]1CC[N@H+](CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000625700060 450481931 /nfs/dbraw/zinc/48/19/31/450481931.db2.gz IPLNCENFKWPMRX-JKSUJKDBSA-N 1 2 342.505 1.700 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)OCC ZINC000629437111 450682057 /nfs/dbraw/zinc/68/20/57/450682057.db2.gz HGCSNIKVHKBRKS-ROUUACIJSA-N 1 2 347.459 1.770 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)OCC ZINC000629437111 450682063 /nfs/dbraw/zinc/68/20/63/450682063.db2.gz HGCSNIKVHKBRKS-ROUUACIJSA-N 1 2 347.459 1.770 20 30 EDEDLO C=CCN(Cc1ccccc1F)S(=O)(=O)C[C@H]1C[N@H+](C)CCO1 ZINC000631782616 450772420 /nfs/dbraw/zinc/77/24/20/450772420.db2.gz SFNZXWMOOQMTMI-OAHLLOKOSA-N 1 2 342.436 1.474 20 30 EDEDLO C=CCN(Cc1ccccc1F)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631782616 450772427 /nfs/dbraw/zinc/77/24/27/450772427.db2.gz SFNZXWMOOQMTMI-OAHLLOKOSA-N 1 2 342.436 1.474 20 30 EDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(OC)ccc2O)CC1 ZINC000631908817 450867397 /nfs/dbraw/zinc/86/73/97/450867397.db2.gz BBMSDDDBDWLCBA-UHFFFAOYSA-N 1 2 326.418 1.330 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633487804 450877716 /nfs/dbraw/zinc/87/77/16/450877716.db2.gz KVSYEFKBCVVSCQ-AWEZNQCLSA-N 1 2 336.461 1.371 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633899674 451084811 /nfs/dbraw/zinc/08/48/11/451084811.db2.gz YRLGXHPDGWIOPC-GOSISDBHSA-N 1 2 345.443 1.507 20 30 EDEDLO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)NC(C)(C)C ZINC000625065355 451141267 /nfs/dbraw/zinc/14/12/67/451141267.db2.gz LHHXSVWNUFHRLI-UHFFFAOYSA-N 1 2 341.411 1.133 20 30 EDEDLO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)NC(C)(C)C ZINC000625065355 451141271 /nfs/dbraw/zinc/14/12/71/451141271.db2.gz LHHXSVWNUFHRLI-UHFFFAOYSA-N 1 2 341.411 1.133 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000636673551 451403169 /nfs/dbraw/zinc/40/31/69/451403169.db2.gz VFCBCOJKKFYANQ-CABCVRRESA-N 1 2 339.480 1.320 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nn1 ZINC000640802031 451595680 /nfs/dbraw/zinc/59/56/80/451595680.db2.gz BHMPDYYDLNFYRI-LSDHHAIUSA-N 1 2 337.427 1.930 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)Cc2ccc(OC)cc2)nn1 ZINC000640830612 451615475 /nfs/dbraw/zinc/61/54/75/451615475.db2.gz LOJCVDMFJAXSRS-UHFFFAOYSA-N 1 2 341.415 1.058 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCc2ccc(F)cc2)nn1 ZINC000640885619 451672539 /nfs/dbraw/zinc/67/25/39/451672539.db2.gz CPKIZHGOJUKONA-ZDUSSCGKSA-N 1 2 329.379 1.408 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000637021962 451683861 /nfs/dbraw/zinc/68/38/61/451683861.db2.gz DPURCWAJULOAAS-MAUKXSAKSA-N 1 2 339.480 1.646 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000637021962 451683866 /nfs/dbraw/zinc/68/38/66/451683866.db2.gz DPURCWAJULOAAS-MAUKXSAKSA-N 1 2 339.480 1.646 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(C(C)=O)cc2)nn1 ZINC000641188686 451772871 /nfs/dbraw/zinc/77/28/71/451772871.db2.gz XIZYGIWLACYISK-UHFFFAOYSA-N 1 2 325.372 1.232 20 30 EDEDLO C=CCN(C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)[C@H](C)COC ZINC000637412157 451841321 /nfs/dbraw/zinc/84/13/21/451841321.db2.gz DNMNLOYMMSBGSS-OAHLLOKOSA-N 1 2 349.479 2.553 20 30 EDEDLO C=CCNS(=O)(=O)c1ccccc1NCC[N@H+]1CCOC[C@H]1C ZINC000641343107 451867224 /nfs/dbraw/zinc/86/72/24/451867224.db2.gz ASFRUOCRBYMKNP-CQSZACIVSA-N 1 2 339.461 1.284 20 30 EDEDLO C=CCNS(=O)(=O)c1ccccc1NCC[N@@H+]1CCOC[C@H]1C ZINC000641343107 451867233 /nfs/dbraw/zinc/86/72/33/451867233.db2.gz ASFRUOCRBYMKNP-CQSZACIVSA-N 1 2 339.461 1.284 20 30 EDEDLO C=CCCn1cc(C(=O)N2CCN(Cc3[nH+]ccn3CC)CC2)nn1 ZINC000644634498 451905915 /nfs/dbraw/zinc/90/59/15/451905915.db2.gz KMVGIMJFARIAKJ-UHFFFAOYSA-N 1 2 343.435 1.029 20 30 EDEDLO CC#CCN(C)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000652221392 452413818 /nfs/dbraw/zinc/41/38/18/452413818.db2.gz DMAWUFBWCSGKPX-UHFFFAOYSA-N 1 2 328.416 1.561 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000662079283 452825185 /nfs/dbraw/zinc/82/51/85/452825185.db2.gz MAJXDQSAUCRREG-LVQVYYBASA-N 1 2 340.489 1.594 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000662079283 452825188 /nfs/dbraw/zinc/82/51/88/452825188.db2.gz MAJXDQSAUCRREG-LVQVYYBASA-N 1 2 340.489 1.594 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000658532364 453087749 /nfs/dbraw/zinc/08/77/49/453087749.db2.gz VDVIREFHLBZPLV-HOTGVXAUSA-N 1 2 330.432 1.861 20 30 EDEDLO C=C(C)Cn1c(C(C)C)nnc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000670232269 486705381 /nfs/dbraw/zinc/70/53/81/486705381.db2.gz IXDLWNVGYNUUJV-UHFFFAOYSA-N 1 2 334.468 1.188 20 30 EDEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 ZINC000678049646 487234458 /nfs/dbraw/zinc/23/44/58/487234458.db2.gz NXRCVCNGOIOVKX-DLBZAZTESA-N 1 2 332.444 1.844 20 30 EDEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106581742 526905612 /nfs/dbraw/zinc/90/56/12/526905612.db2.gz CWUMKMJWOJDXMH-INIZCTEOSA-N 1 2 346.450 1.606 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH2+][C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177408167 527616587 /nfs/dbraw/zinc/61/65/87/527616587.db2.gz PDYYTKVLBHXGAF-QGZVFWFLSA-N 1 2 335.835 1.831 20 30 EDEDLO CC(C)N1CC[C@@H]([NH+]2CCN(c3cccc(F)c3C#N)CC2)C1=O ZINC000175022025 529064924 /nfs/dbraw/zinc/06/49/24/529064924.db2.gz HEJHEAKHQBUCQS-QGZVFWFLSA-N 1 2 330.407 1.829 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](Cc3cnc4ccc(C#N)cn34)CC[C@@H]21 ZINC000344722351 535137827 /nfs/dbraw/zinc/13/78/27/535137827.db2.gz TWEZIQOEXQQMMB-CVEARBPZSA-N 1 2 338.415 1.582 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](Cc3cnc4ccc(C#N)cn34)CC[C@@H]21 ZINC000344722351 535137833 /nfs/dbraw/zinc/13/78/33/535137833.db2.gz TWEZIQOEXQQMMB-CVEARBPZSA-N 1 2 338.415 1.582 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@@H](C)O1 ZINC000246002195 535844794 /nfs/dbraw/zinc/84/47/94/535844794.db2.gz JEXYJSWGJXFTEU-ZACQAIPSSA-N 1 2 336.480 1.178 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@@H](C)O1 ZINC000246002195 535844797 /nfs/dbraw/zinc/84/47/97/535844797.db2.gz JEXYJSWGJXFTEU-ZACQAIPSSA-N 1 2 336.480 1.178 20 30 EDEDLO COCC1(O)CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000270344167 536829041 /nfs/dbraw/zinc/82/90/41/536829041.db2.gz FTOKBZFRBKYJMG-CYBMUJFWSA-N 1 2 335.429 1.198 20 30 EDEDLO N#CCCNC(=O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743859109 579492548 /nfs/dbraw/zinc/49/25/48/579492548.db2.gz TWIBYJITGCCJLX-UHFFFAOYSA-N 1 2 328.372 1.031 20 30 EDEDLO N#CCCNC(=O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743859109 579492550 /nfs/dbraw/zinc/49/25/50/579492550.db2.gz TWIBYJITGCCJLX-UHFFFAOYSA-N 1 2 328.372 1.031 20 30 EDEDLO N#CCn1c(C[N@H+]2CCSC[C@@H]2CCO)nc2ccccc2c1=O ZINC000759733780 580013498 /nfs/dbraw/zinc/01/34/98/580013498.db2.gz YAPWBXJMMGBCAB-ZDUSSCGKSA-N 1 2 344.440 1.220 20 30 EDEDLO N#CCn1c(C[N@@H+]2CCSC[C@@H]2CCO)nc2ccccc2c1=O ZINC000759733780 580013499 /nfs/dbraw/zinc/01/34/99/580013499.db2.gz YAPWBXJMMGBCAB-ZDUSSCGKSA-N 1 2 344.440 1.220 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCCC[C@H]1C1OCCO1)C1(C#N)CCCCC1 ZINC000726880964 578367030 /nfs/dbraw/zinc/36/70/30/578367030.db2.gz LEAWNCIAQSXHHX-HNNXBMFYSA-N 1 2 335.448 1.899 20 30 EDEDLO CN(C(=O)C[N@H+]1CCCC[C@H]1C1OCCO1)C1(C#N)CCCCC1 ZINC000726880964 578367031 /nfs/dbraw/zinc/36/70/31/578367031.db2.gz LEAWNCIAQSXHHX-HNNXBMFYSA-N 1 2 335.448 1.899 20 30 EDEDLO Fc1cc(C=[NH+]Nc2ncnc3[nH]cnc32)ccc1N1CCOCC1 ZINC000727255105 578523737 /nfs/dbraw/zinc/52/37/37/578523737.db2.gz JDSIDUHKCGVHNB-UHFFFAOYSA-N 1 2 341.350 1.775 20 30 EDEDLO N#Cc1cccnc1NCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728746806 578551469 /nfs/dbraw/zinc/55/14/69/578551469.db2.gz OKOYIFRYCCBIJK-HNNXBMFYSA-N 1 2 339.403 1.608 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000732058273 578689315 /nfs/dbraw/zinc/68/93/15/578689315.db2.gz PFQLNLNJFOMTOP-KRWDZBQOSA-N 1 2 341.411 1.195 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000732058273 578689316 /nfs/dbraw/zinc/68/93/16/578689316.db2.gz PFQLNLNJFOMTOP-KRWDZBQOSA-N 1 2 341.411 1.195 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732815576 578731667 /nfs/dbraw/zinc/73/16/67/578731667.db2.gz XPRBDCPHKDITKD-OLZOCXBDSA-N 1 2 347.381 1.671 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732815576 578731669 /nfs/dbraw/zinc/73/16/69/578731669.db2.gz XPRBDCPHKDITKD-OLZOCXBDSA-N 1 2 347.381 1.671 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000761032722 580045056 /nfs/dbraw/zinc/04/50/56/580045056.db2.gz LYLOMBUIXUTLLA-ZDUSSCGKSA-N 1 2 341.864 1.486 20 30 EDEDLO C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@@H]1CCCCO1 ZINC000744390356 579509078 /nfs/dbraw/zinc/50/90/78/579509078.db2.gz WUVXOECLCFPLID-AWEZNQCLSA-N 1 2 326.400 1.921 20 30 EDEDLO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)C[C@@H]1CCCCO1 ZINC000744390356 579509080 /nfs/dbraw/zinc/50/90/80/579509080.db2.gz WUVXOECLCFPLID-AWEZNQCLSA-N 1 2 326.400 1.921 20 30 EDEDLO N#Cc1ccc(NC(=S)NC[C@H]2C[NH+]3CCN2CC3)cc1Cl ZINC000746544599 579600269 /nfs/dbraw/zinc/60/02/69/579600269.db2.gz NLPXWBBPQLYUEU-ZDUSSCGKSA-N 1 2 335.864 1.498 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000751963680 579830614 /nfs/dbraw/zinc/83/06/14/579830614.db2.gz PHNAMQWTZUKRTG-LJQANCHMSA-N 1 2 349.475 1.801 20 30 EDEDLO Cn1c[nH+]cc1CN=Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000755636169 579931503 /nfs/dbraw/zinc/93/15/03/579931503.db2.gz NMIGSZNEPCDLHP-UHFFFAOYSA-N 1 2 336.421 1.338 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000758683248 579989404 /nfs/dbraw/zinc/98/94/04/579989404.db2.gz BAJDRQFNRSQKBF-LBPRGKRZSA-N 1 2 338.205 1.184 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000758683248 579989405 /nfs/dbraw/zinc/98/94/05/579989405.db2.gz BAJDRQFNRSQKBF-LBPRGKRZSA-N 1 2 338.205 1.184 20 30 EDEDLO Cc1ccc(F)c2c1NC(=O)C2=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000761832204 580062334 /nfs/dbraw/zinc/06/23/34/580062334.db2.gz XUCVCLKWJDOIRZ-UHFFFAOYSA-N 1 2 337.318 1.878 20 30 EDEDLO CC1(C)CCC(C=NNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000764658950 580125923 /nfs/dbraw/zinc/12/59/23/580125923.db2.gz LIUCMYMHWXTQFS-UHFFFAOYSA-N 1 2 326.510 1.985 20 30 EDEDLO N#Cc1ccc(OS(=O)(=O)CCC[NH+]2CCOCC2)c(Cl)c1 ZINC000766024861 580156927 /nfs/dbraw/zinc/15/69/27/580156927.db2.gz KWHXNAKTZKLORQ-UHFFFAOYSA-N 1 2 344.820 1.643 20 30 EDEDLO O=[N+]([O-])c1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c([N+](=O)[O-])c1 ZINC000766030328 580157020 /nfs/dbraw/zinc/15/70/20/580157020.db2.gz TVVYNRBKMCZYOP-TXEJJXNPSA-N 1 2 332.320 1.697 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000766666437 580171486 /nfs/dbraw/zinc/17/14/86/580171486.db2.gz UWXMCVFVJUDTAG-BFUOFWGJSA-N 1 2 325.412 1.853 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000766666437 580171487 /nfs/dbraw/zinc/17/14/87/580171487.db2.gz UWXMCVFVJUDTAG-BFUOFWGJSA-N 1 2 325.412 1.853 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCCO1 ZINC000773557910 580341220 /nfs/dbraw/zinc/34/12/20/580341220.db2.gz MHZSBOUZNNGLGG-DLBZAZTESA-N 1 2 328.416 1.090 20 30 EDEDLO C=CCCN(OCc1ccccc1)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000775098786 580382789 /nfs/dbraw/zinc/38/27/89/580382789.db2.gz GBQIIKUIARKEIZ-UHFFFAOYSA-N 1 2 342.399 1.536 20 30 EDEDLO C#C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000775792338 580400772 /nfs/dbraw/zinc/40/07/72/580400772.db2.gz QQHKCYKEODFXHA-IHRRRGAJSA-N 1 2 337.217 1.746 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCCO1 ZINC000775798122 580401112 /nfs/dbraw/zinc/40/11/12/580401112.db2.gz HWQKUIRJXSWANM-KGLIPLIRSA-N 1 2 328.328 1.915 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)NCCC#N ZINC000775838684 580402329 /nfs/dbraw/zinc/40/23/29/580402329.db2.gz QFBZVZSFZUBASG-ZNMIVQPWSA-N 1 2 335.448 1.991 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)NCCC#N ZINC000775838684 580402330 /nfs/dbraw/zinc/40/23/30/580402330.db2.gz QFBZVZSFZUBASG-ZNMIVQPWSA-N 1 2 335.448 1.991 20 30 EDEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](n3cncn3)C2)nc1C1CC1 ZINC000776774910 580428762 /nfs/dbraw/zinc/42/87/62/580428762.db2.gz MVFUGNHDOORMJZ-ZDUSSCGKSA-N 1 2 331.449 1.973 20 30 EDEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](n3cncn3)C2)nc1C1CC1 ZINC000776774910 580428763 /nfs/dbraw/zinc/42/87/63/580428763.db2.gz MVFUGNHDOORMJZ-ZDUSSCGKSA-N 1 2 331.449 1.973 20 30 EDEDLO COc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 ZINC000779344993 580484070 /nfs/dbraw/zinc/48/40/70/580484070.db2.gz ZQVALATYVOHQLL-UONOGXRCSA-N 1 2 332.404 1.939 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000780091585 580512535 /nfs/dbraw/zinc/51/25/35/580512535.db2.gz HHAOKJXEXFZUBW-RHSMWYFYSA-N 1 2 331.416 1.841 20 30 EDEDLO N#Cc1ccc(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)nc1 ZINC000780394503 580521372 /nfs/dbraw/zinc/52/13/72/580521372.db2.gz FYXKPXQPKFTGLJ-UHFFFAOYSA-N 1 2 338.293 1.711 20 30 EDEDLO CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000783400621 580599509 /nfs/dbraw/zinc/59/95/09/580599509.db2.gz RXBKQFHYVMEGST-UHFFFAOYSA-N 1 2 326.360 1.356 20 30 EDEDLO N#Cc1c(NCCCNc2cccc[nH+]2)cccc1S(N)(=O)=O ZINC000784570958 580624064 /nfs/dbraw/zinc/62/40/64/580624064.db2.gz INSSGFZOTALCIQ-UHFFFAOYSA-N 1 2 331.401 1.515 20 30 EDEDLO C=C[C@H]1CCCCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000787212106 580689495 /nfs/dbraw/zinc/68/94/95/580689495.db2.gz XQKAKBFAVMMNTM-HNNXBMFYSA-N 1 2 343.493 1.246 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000787807385 580706226 /nfs/dbraw/zinc/70/62/26/580706226.db2.gz ZPNRALJRNPVUAE-ZFWWWQNUSA-N 1 2 338.415 1.450 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000787807385 580706227 /nfs/dbraw/zinc/70/62/27/580706227.db2.gz ZPNRALJRNPVUAE-ZFWWWQNUSA-N 1 2 338.415 1.450 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccnc(N(C)C)c2)n1 ZINC000789323837 580742235 /nfs/dbraw/zinc/74/22/35/580742235.db2.gz UOEWEAQEKOBSEC-UHFFFAOYSA-N 1 2 327.432 1.626 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccnc(N(C)C)c2)n1 ZINC000789323837 580742236 /nfs/dbraw/zinc/74/22/36/580742236.db2.gz UOEWEAQEKOBSEC-UHFFFAOYSA-N 1 2 327.432 1.626 20 30 EDEDLO CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000789737909 580752377 /nfs/dbraw/zinc/75/23/77/580752377.db2.gz GRDJDEXNLLREHS-GQTRWRLGSA-N 1 2 338.473 1.882 20 30 EDEDLO CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000789737909 580752378 /nfs/dbraw/zinc/75/23/78/580752378.db2.gz GRDJDEXNLLREHS-GQTRWRLGSA-N 1 2 338.473 1.882 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cn(-c3cc(C)cc(F)c3)nn2)CC1 ZINC000789918797 580756963 /nfs/dbraw/zinc/75/69/63/580756963.db2.gz AUBHOEFZKVQNLS-UHFFFAOYSA-N 1 2 341.390 1.496 20 30 EDEDLO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1nnnn1C1CC1 ZINC000790556267 580772999 /nfs/dbraw/zinc/77/29/99/580772999.db2.gz ZASDJEOWIICXMH-BXKDBHETSA-N 1 2 343.416 1.397 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000791068918 580783837 /nfs/dbraw/zinc/78/38/37/580783837.db2.gz FBUFUOUXUBUZRK-SJORKVTESA-N 1 2 348.491 1.517 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000792933724 580831176 /nfs/dbraw/zinc/83/11/76/580831176.db2.gz LUCZEEGPMDOIOE-UHFFFAOYSA-N 1 2 336.233 1.321 20 30 EDEDLO COCCO[C@@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793517144 580846904 /nfs/dbraw/zinc/84/69/04/580846904.db2.gz QGQPAMVFXHZLLW-OAHLLOKOSA-N 1 2 331.416 1.294 20 30 EDEDLO COCCO[C@@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793517144 580846905 /nfs/dbraw/zinc/84/69/05/580846905.db2.gz QGQPAMVFXHZLLW-OAHLLOKOSA-N 1 2 331.416 1.294 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000796078617 580944985 /nfs/dbraw/zinc/94/49/85/580944985.db2.gz NUGUDGIJHFCXMC-SFHVURJKSA-N 1 2 341.455 1.339 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000796078617 580944986 /nfs/dbraw/zinc/94/49/86/580944986.db2.gz NUGUDGIJHFCXMC-SFHVURJKSA-N 1 2 341.455 1.339 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000798414419 580996766 /nfs/dbraw/zinc/99/67/66/580996766.db2.gz MUQKRPNVJMWPLK-IUODEOHRSA-N 1 2 339.386 1.641 20 30 EDEDLO Cc1cc(F)ncc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000892224143 590872991 /nfs/dbraw/zinc/87/29/91/590872991.db2.gz RQBNUSSNYNMKBD-ZDUSSCGKSA-N 1 2 326.379 1.902 20 30 EDEDLO Cc1cc(F)ncc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000892224143 590872993 /nfs/dbraw/zinc/87/29/93/590872993.db2.gz RQBNUSSNYNMKBD-ZDUSSCGKSA-N 1 2 326.379 1.902 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)COc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893565683 590964639 /nfs/dbraw/zinc/96/46/39/590964639.db2.gz HRBJCGVVUQZVPB-PBHICJAKSA-N 1 2 332.356 1.116 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)COc2ccc(C#N)cc2)C[N@H+]1C ZINC000893565683 590964644 /nfs/dbraw/zinc/96/46/44/590964644.db2.gz HRBJCGVVUQZVPB-PBHICJAKSA-N 1 2 332.356 1.116 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)Cc2ccc(OCC#N)cc2)C[N@@H+]1C ZINC000893582191 590985676 /nfs/dbraw/zinc/98/56/76/590985676.db2.gz LBVKUAVXXJFNJE-CRAIPNDOSA-N 1 2 346.383 1.310 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@@H](OC(=O)Cc2ccc(OCC#N)cc2)C[N@H+]1C ZINC000893582191 590985678 /nfs/dbraw/zinc/98/56/78/590985678.db2.gz LBVKUAVXXJFNJE-CRAIPNDOSA-N 1 2 346.383 1.310 20 30 EDEDLO COCCC[N@H+](Cc1csc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000891513249 591100367 /nfs/dbraw/zinc/10/03/67/591100367.db2.gz GGLNPZRSWHAZOW-CYBMUJFWSA-N 1 2 328.459 1.645 20 30 EDEDLO COCCC[N@@H+](Cc1csc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000891513249 591100369 /nfs/dbraw/zinc/10/03/69/591100369.db2.gz GGLNPZRSWHAZOW-CYBMUJFWSA-N 1 2 328.459 1.645 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnc3ccccc3c2)C1 ZINC000891608006 591145736 /nfs/dbraw/zinc/14/57/36/591145736.db2.gz TYQMBMMHSOOPOD-HNNXBMFYSA-N 1 2 336.395 1.387 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cnc3ccccc3c2)C1 ZINC000891608006 591145739 /nfs/dbraw/zinc/14/57/39/591145739.db2.gz TYQMBMMHSOOPOD-HNNXBMFYSA-N 1 2 336.395 1.387 20 30 EDEDLO Cc1cc(C#N)nc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000891672626 591178248 /nfs/dbraw/zinc/17/82/48/591178248.db2.gz WQLBYOZGLCWPJZ-UHFFFAOYSA-N 1 2 334.387 1.265 20 30 EDEDLO COCC[N@H+](Cc1cnc2n1CCOC2)Cc1ccc(C#N)cc1 ZINC000891680671 591181655 /nfs/dbraw/zinc/18/16/55/591181655.db2.gz IDSKSVXCWOXZSL-UHFFFAOYSA-N 1 2 326.400 1.934 20 30 EDEDLO COCC[N@@H+](Cc1cnc2n1CCOC2)Cc1ccc(C#N)cc1 ZINC000891680671 591181656 /nfs/dbraw/zinc/18/16/56/591181656.db2.gz IDSKSVXCWOXZSL-UHFFFAOYSA-N 1 2 326.400 1.934 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)c1 ZINC000891704543 591192843 /nfs/dbraw/zinc/19/28/43/591192843.db2.gz CCLUHRPQLLWEDX-INIZCTEOSA-N 1 2 341.459 1.785 20 30 EDEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cs1 ZINC000894114799 591198620 /nfs/dbraw/zinc/19/86/20/591198620.db2.gz YVFYIIBYMLDABV-CYBMUJFWSA-N 1 2 325.459 1.620 20 30 EDEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cs1 ZINC000894114799 591198621 /nfs/dbraw/zinc/19/86/21/591198621.db2.gz YVFYIIBYMLDABV-CYBMUJFWSA-N 1 2 325.459 1.620 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)N(C)Cc1cc(C#N)cs1)[NH+]1CCOCC1 ZINC000892840200 591199495 /nfs/dbraw/zinc/19/94/95/591199495.db2.gz ZDEWGHZBZMEMLD-QWHCGFSZSA-N 1 2 336.461 1.870 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3C(=O)OC23CCC3)CC1 ZINC000895898112 591299186 /nfs/dbraw/zinc/29/91/86/591299186.db2.gz KWJMTNMEYPNUFW-KRWDZBQOSA-N 1 2 338.407 1.641 20 30 EDEDLO C#CC[C@H](COC)NC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000896066306 591335650 /nfs/dbraw/zinc/33/56/50/591335650.db2.gz XTXLRNFKHYLTNE-HZPDHXFCSA-N 1 2 328.416 1.614 20 30 EDEDLO CCOC(=O)c1[nH]c(C)c(C[NH+]2CCN(C(=O)CC#N)CC2)c1C ZINC000895065242 591559756 /nfs/dbraw/zinc/55/97/56/591559756.db2.gz AYEKDVASUFVKGA-UHFFFAOYSA-N 1 2 332.404 1.366 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895080073 591571774 /nfs/dbraw/zinc/57/17/74/591571774.db2.gz ZUUGOKFQOZIHTQ-AWEZNQCLSA-N 1 2 342.852 1.484 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C1 ZINC000895080073 591571779 /nfs/dbraw/zinc/57/17/79/591571779.db2.gz ZUUGOKFQOZIHTQ-AWEZNQCLSA-N 1 2 342.852 1.484 20 30 EDEDLO C#CCNC(=O)c1ccc(NCc2nc(C[NH+](C)C)cs2)nc1 ZINC000895483767 591778592 /nfs/dbraw/zinc/77/85/92/591778592.db2.gz ATXFEDPBDRBBCH-UHFFFAOYSA-N 1 2 329.429 1.575 20 30 EDEDLO Cc1ccc([C@H]2CC(=O)N(C[C@H](O)C[N@H+](C)CCC#N)C2=O)cc1 ZINC000899897839 591973971 /nfs/dbraw/zinc/97/39/71/591973971.db2.gz QVTQBGZJESNVOG-HZPDHXFCSA-N 1 2 329.400 1.044 20 30 EDEDLO Cc1ccc([C@H]2CC(=O)N(C[C@H](O)C[N@@H+](C)CCC#N)C2=O)cc1 ZINC000899897839 591973973 /nfs/dbraw/zinc/97/39/73/591973973.db2.gz QVTQBGZJESNVOG-HZPDHXFCSA-N 1 2 329.400 1.044 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cn2c(=O)cc(C)c3cccc(C)c32)CC1 ZINC000902526136 592010897 /nfs/dbraw/zinc/01/08/97/592010897.db2.gz WJBPGBUYNUKACV-UHFFFAOYSA-N 1 2 337.423 1.396 20 30 EDEDLO Cc1cc2[nH+]cn(CN3C[C@@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2cc1C ZINC000902529584 592011559 /nfs/dbraw/zinc/01/15/59/592011559.db2.gz GKVZCQAPIDHDBQ-RHSMWYFYSA-N 1 2 344.440 1.481 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nc(Br)cs2)C1 ZINC000902730447 592053695 /nfs/dbraw/zinc/05/36/95/592053695.db2.gz RJZPYSZWQKJZHY-SECBINFHSA-N 1 2 328.235 1.733 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(Br)cs2)C1 ZINC000902730447 592053696 /nfs/dbraw/zinc/05/36/96/592053696.db2.gz RJZPYSZWQKJZHY-SECBINFHSA-N 1 2 328.235 1.733 20 30 EDEDLO CCC[N@H+](CC(=O)NCCC#N)CC(=O)Nc1ccccc1OC ZINC000027351043 592264791 /nfs/dbraw/zinc/26/47/91/592264791.db2.gz HLYVIPLCGIHMEY-UHFFFAOYSA-N 1 2 332.404 1.376 20 30 EDEDLO CCC[N@@H+](CC(=O)NCCC#N)CC(=O)Nc1ccccc1OC ZINC000027351043 592264795 /nfs/dbraw/zinc/26/47/95/592264795.db2.gz HLYVIPLCGIHMEY-UHFFFAOYSA-N 1 2 332.404 1.376 20 30 EDEDLO Cc1nc(Br)c(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)[nH]1 ZINC000901206346 592286563 /nfs/dbraw/zinc/28/65/63/592286563.db2.gz KBYGJAXJZPSDEY-IUCAKERBSA-N 1 2 325.214 1.675 20 30 EDEDLO C=CCCC[C@@H]1NC(=O)N(Cc2ccc[nH+]c2N2CCOCC2)C1=O ZINC000904141198 592438000 /nfs/dbraw/zinc/43/80/00/592438000.db2.gz CFWKLQCZRPSZFW-HNNXBMFYSA-N 1 2 344.415 1.695 20 30 EDEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C[C@H]1n1cc[nH+]c1 ZINC000907041443 592476608 /nfs/dbraw/zinc/47/66/08/592476608.db2.gz DMULBLCSTIPVOS-GXTWGEPZSA-N 1 2 331.401 1.422 20 30 EDEDLO Cn1ccc([C@H]2CCC[N@H+](Cn3nc(CC#N)n(C)c3=S)C2)n1 ZINC000905716603 592622276 /nfs/dbraw/zinc/62/22/76/592622276.db2.gz UXWHEAMCYHJNRC-LBPRGKRZSA-N 1 2 331.449 1.588 20 30 EDEDLO Cn1ccc([C@H]2CCC[N@@H+](Cn3nc(CC#N)n(C)c3=S)C2)n1 ZINC000905716603 592622277 /nfs/dbraw/zinc/62/22/77/592622277.db2.gz UXWHEAMCYHJNRC-LBPRGKRZSA-N 1 2 331.449 1.588 20 30 EDEDLO C=CC[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)C(=O)OC ZINC000905777469 592636073 /nfs/dbraw/zinc/63/60/73/592636073.db2.gz FFPAAPOJOKHLLO-ZDUSSCGKSA-N 1 2 327.421 1.832 20 30 EDEDLO C=CCC1(O)CCN(c2nnc([C@H]3C[N@H+](C)C[C@H](C)O3)n2CC)CC1 ZINC000908831869 592636153 /nfs/dbraw/zinc/63/61/53/592636153.db2.gz XJIAJQABUPFTPR-LSDHHAIUSA-N 1 2 349.479 1.597 20 30 EDEDLO C=CCC1(O)CCN(c2nnc([C@H]3C[N@@H+](C)C[C@H](C)O3)n2CC)CC1 ZINC000908831869 592636155 /nfs/dbraw/zinc/63/61/55/592636155.db2.gz XJIAJQABUPFTPR-LSDHHAIUSA-N 1 2 349.479 1.597 20 30 EDEDLO C=CC[C@H]([NH2+]C[C@H]1CC(=O)N(CC)[C@@H]1c1cccnc1)C(=O)OC ZINC000905779158 592636728 /nfs/dbraw/zinc/63/67/28/592636728.db2.gz MQYVIPJEGNABTQ-HLLBOEOZSA-N 1 2 331.416 1.698 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000907420488 592641950 /nfs/dbraw/zinc/64/19/50/592641950.db2.gz VBBBKZDKEXLMIS-JKSUJKDBSA-N 1 2 336.482 1.526 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000907420488 592641953 /nfs/dbraw/zinc/64/19/53/592641953.db2.gz VBBBKZDKEXLMIS-JKSUJKDBSA-N 1 2 336.482 1.526 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1 ZINC000907452303 592662505 /nfs/dbraw/zinc/66/25/05/592662505.db2.gz LLAQHUAWHDVTPL-IJDCCNJMSA-N 1 2 343.471 1.876 20 30 EDEDLO N#Cc1ccc([C@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)CCO2)cc1 ZINC000907509874 592679534 /nfs/dbraw/zinc/67/95/34/592679534.db2.gz RONHTIHNROPYCC-MRXNPFEDSA-N 1 2 346.412 1.158 20 30 EDEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@H+](C)C[C@@H](C)O2)n1CCOC ZINC000909164994 592758344 /nfs/dbraw/zinc/75/83/44/592758344.db2.gz JQHRPBJLCLBQIY-BZUAXINKSA-N 1 2 347.463 1.308 20 30 EDEDLO C#C[C@@H]1CCCCN1c1nnc([C@H]2C[N@@H+](C)C[C@@H](C)O2)n1CCOC ZINC000909164994 592758345 /nfs/dbraw/zinc/75/83/45/592758345.db2.gz JQHRPBJLCLBQIY-BZUAXINKSA-N 1 2 347.463 1.308 20 30 EDEDLO CC[N@@H+]1CCCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)[C@@H](C)C1 ZINC000910292528 592831694 /nfs/dbraw/zinc/83/16/94/592831694.db2.gz QQFAORAFIMNUJE-NSHDSACASA-N 1 2 334.445 1.937 20 30 EDEDLO CC[N@H+]1CCCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)[C@@H](C)C1 ZINC000910292528 592831696 /nfs/dbraw/zinc/83/16/96/592831696.db2.gz QQFAORAFIMNUJE-NSHDSACASA-N 1 2 334.445 1.937 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000911514786 592938772 /nfs/dbraw/zinc/93/87/72/592938772.db2.gz BVKIKFMIFKQDMX-QGZVFWFLSA-N 1 2 329.444 1.696 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(F)c(F)c2)C(N)=O)cc1 ZINC000734506993 592964335 /nfs/dbraw/zinc/96/43/35/592964335.db2.gz IUFJTBUUGNAOIK-INIZCTEOSA-N 1 2 344.321 1.591 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)C(F)(F)c2ccccc2C#N)[C@@H](C)CO1 ZINC000912395512 593092704 /nfs/dbraw/zinc/09/27/04/593092704.db2.gz WEDULFWVVKAYGN-QWHCGFSZSA-N 1 2 337.370 1.875 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(F)(F)c2ccccc2C#N)[C@@H](C)CO1 ZINC000912395512 593092705 /nfs/dbraw/zinc/09/27/05/593092705.db2.gz WEDULFWVVKAYGN-QWHCGFSZSA-N 1 2 337.370 1.875 20 30 EDEDLO C#CCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000806916365 593127909 /nfs/dbraw/zinc/12/79/09/593127909.db2.gz XWMDXMARUZQQCC-CVEARBPZSA-N 1 2 347.846 1.731 20 30 EDEDLO C#CCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000806916365 593127911 /nfs/dbraw/zinc/12/79/11/593127911.db2.gz XWMDXMARUZQQCC-CVEARBPZSA-N 1 2 347.846 1.731 20 30 EDEDLO C=CC[C@H](NC(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccncc1 ZINC000805811205 593146576 /nfs/dbraw/zinc/14/65/76/593146576.db2.gz NQVFRMLFMQWNOF-GJZGRUSLSA-N 1 2 339.399 1.143 20 30 EDEDLO C=CC[C@@H](NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000805811811 593146986 /nfs/dbraw/zinc/14/69/86/593146986.db2.gz UMQLBKORDHIWMI-MRXNPFEDSA-N 1 2 328.416 1.122 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797847320 593197391 /nfs/dbraw/zinc/19/73/91/593197391.db2.gz IHGURLGEMGFPJG-AWEZNQCLSA-N 1 2 329.391 1.886 20 30 EDEDLO C#Cc1cccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000838723335 593208077 /nfs/dbraw/zinc/20/80/77/593208077.db2.gz JAMKLIIBXPJOLN-GOSISDBHSA-N 1 2 327.428 1.674 20 30 EDEDLO C#Cc1cc(F)c(NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)c(F)c1 ZINC000802570454 593263913 /nfs/dbraw/zinc/26/39/13/593263913.db2.gz OREKLPHWNOIXRH-UHFFFAOYSA-N 1 2 332.310 1.277 20 30 EDEDLO C#CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC ZINC000839169619 593270307 /nfs/dbraw/zinc/27/03/07/593270307.db2.gz UIPAVQGFCKZNKM-MRXNPFEDSA-N 1 2 331.372 1.718 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nc(N)nc(Nc2ccccc2C)n1)[C@H]1CCCO1 ZINC000839564354 593338805 /nfs/dbraw/zinc/33/88/05/593338805.db2.gz QRYLTVXEFZKBTQ-DZGCQCFKSA-N 1 2 338.415 1.776 20 30 EDEDLO C#CC[NH+]1CCN(c2cc(C(F)(F)F)c(C(=O)OC)cn2)CC1 ZINC000804340534 593406460 /nfs/dbraw/zinc/40/64/60/593406460.db2.gz ZNNZWWDPDXBGMG-UHFFFAOYSA-N 1 2 327.306 1.642 20 30 EDEDLO CN(C)c1ccc(C=[NH+]Nc2nc3c(cnn3C)c(=O)[nH]2)cc1F ZINC000769808609 593446119 /nfs/dbraw/zinc/44/61/19/593446119.db2.gz LOZTUENLHYNOCM-UHFFFAOYSA-N 1 2 329.339 1.720 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000815269820 593623656 /nfs/dbraw/zinc/62/36/56/593623656.db2.gz ZJHOMWPAWOMLFA-CYBMUJFWSA-N 1 2 332.360 1.281 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCn4nccc43)CC2)cc1 ZINC000818679812 593713665 /nfs/dbraw/zinc/71/36/65/593713665.db2.gz ZOLANEPCXPBQCS-SFHVURJKSA-N 1 2 349.438 1.977 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000819923858 593777408 /nfs/dbraw/zinc/77/74/08/593777408.db2.gz FTQRYKYXPXINKT-HNNXBMFYSA-N 1 2 347.440 1.649 20 30 EDEDLO COCC#CC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000823673642 593830236 /nfs/dbraw/zinc/83/02/36/593830236.db2.gz FYFOUMZTBKUFLJ-JKSUJKDBSA-N 1 2 348.447 1.362 20 30 EDEDLO COCC#CC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000823673642 593830238 /nfs/dbraw/zinc/83/02/38/593830238.db2.gz FYFOUMZTBKUFLJ-JKSUJKDBSA-N 1 2 348.447 1.362 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000820948059 593926919 /nfs/dbraw/zinc/92/69/19/593926919.db2.gz NPIQPVJHLHJRBN-OAHLLOKOSA-N 1 2 343.408 1.555 20 30 EDEDLO C[C@H](CC#N)[NH2+][C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824385422 593999197 /nfs/dbraw/zinc/99/91/97/593999197.db2.gz SRDKPEFTZWECHP-BXUZGUMPSA-N 1 2 325.376 1.254 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000824856070 594085317 /nfs/dbraw/zinc/08/53/17/594085317.db2.gz SNMCCNQQVHDFIA-HSZRJFAPSA-N 1 2 331.485 1.738 20 30 EDEDLO C#CCOc1ccccc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000822753757 594095959 /nfs/dbraw/zinc/09/59/59/594095959.db2.gz FHYZGEUAQCLXIG-GJZGRUSLSA-N 1 2 331.416 1.929 20 30 EDEDLO C#CCOc1ccccc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000822753757 594095960 /nfs/dbraw/zinc/09/59/60/594095960.db2.gz FHYZGEUAQCLXIG-GJZGRUSLSA-N 1 2 331.416 1.929 20 30 EDEDLO C#Cc1cnc(N2CC[NH+](CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)nc1 ZINC000827602319 594242470 /nfs/dbraw/zinc/24/24/70/594242470.db2.gz SXUGLSPNTBXVCD-RDJZCZTQSA-N 1 2 341.459 1.275 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000829983418 594306774 /nfs/dbraw/zinc/30/67/74/594306774.db2.gz TZZFGTNNAWHVKZ-CQSZACIVSA-N 1 2 338.751 1.537 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000829983418 594306777 /nfs/dbraw/zinc/30/67/77/594306777.db2.gz TZZFGTNNAWHVKZ-CQSZACIVSA-N 1 2 338.751 1.537 20 30 EDEDLO C#Cc1cnc(N(C)CC[NH+]2CCN(Cc3ccccc3)CC2)nc1 ZINC000828172686 594357892 /nfs/dbraw/zinc/35/78/92/594357892.db2.gz PMVWJSXMQUZIRF-UHFFFAOYSA-N 1 2 335.455 1.712 20 30 EDEDLO N#Cc1cccc([C@@H]2CN(C(=O)/C=C/C[NH+]3CCOCC3)CCO2)c1 ZINC000867066733 594366173 /nfs/dbraw/zinc/36/61/73/594366173.db2.gz QKYSYZSEWXYLIJ-SRSGJAESSA-N 1 2 341.411 1.347 20 30 EDEDLO C#CCOc1ccc(C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000827456926 594674021 /nfs/dbraw/zinc/67/40/21/594674021.db2.gz RNOUIBSCFBHAIL-UHFFFAOYSA-N 1 2 341.455 1.551 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000831687827 594692821 /nfs/dbraw/zinc/69/28/21/594692821.db2.gz WUQDQXHPDYHRSC-AWEZNQCLSA-N 1 2 335.448 1.945 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000831699566 594693914 /nfs/dbraw/zinc/69/39/14/594693914.db2.gz PVYNVKIPWYDNGQ-LBPRGKRZSA-N 1 2 325.409 1.678 20 30 EDEDLO COC(=O)c1n[nH]c2c1C[N@H+](C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC000831997906 594717878 /nfs/dbraw/zinc/71/78/78/594717878.db2.gz LRKPCLQCAREEAD-HNNXBMFYSA-N 1 2 326.356 1.160 20 30 EDEDLO COC(=O)c1n[nH]c2c1C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC000831997906 594717879 /nfs/dbraw/zinc/71/78/79/594717879.db2.gz LRKPCLQCAREEAD-HNNXBMFYSA-N 1 2 326.356 1.160 20 30 EDEDLO C=C[C@H](C(=O)OC)[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000842166504 595027344 /nfs/dbraw/zinc/02/73/44/595027344.db2.gz OZOGVHYYNZXAAZ-GFCCVEGCSA-N 1 2 328.409 1.066 20 30 EDEDLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C#CC1CC1 ZINC000837394883 595099490 /nfs/dbraw/zinc/09/94/90/595099490.db2.gz IHLXZVKJBWACRK-UHFFFAOYSA-N 1 2 335.448 1.411 20 30 EDEDLO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[NH+]2CCSCC2)C1=O ZINC000101535850 595165200 /nfs/dbraw/zinc/16/52/00/595165200.db2.gz VUTPNVGAPIZKSE-MRXNPFEDSA-N 1 2 330.413 1.332 20 30 EDEDLO O=S(=O)(c1ccc(NNC=C2CC2(F)F)[nH+]c1)N1CCCC1 ZINC000834939419 595240912 /nfs/dbraw/zinc/24/09/12/595240912.db2.gz BWDHCZHSNSNXQX-SNVBAGLBSA-N 1 2 330.360 1.919 20 30 EDEDLO Cc1cccc(Cl)c1N[NH+]=Cc1c(=O)n(C)c(=O)n(C)c1N(C)C ZINC000835010905 595245644 /nfs/dbraw/zinc/24/56/44/595245644.db2.gz KOTCCAPXTIFJTF-UHFFFAOYSA-N 1 2 349.822 1.558 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)nn1 ZINC000846898446 595334547 /nfs/dbraw/zinc/33/45/47/595334547.db2.gz FQRJPMKBQJFEKE-CYBMUJFWSA-N 1 2 332.326 1.782 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)nn1 ZINC000846898446 595334549 /nfs/dbraw/zinc/33/45/49/595334549.db2.gz FQRJPMKBQJFEKE-CYBMUJFWSA-N 1 2 332.326 1.782 20 30 EDEDLO C#Cc1cccc(NC(=O)N2CC[NH+](CCOCCOC)CC2)c1 ZINC000844498415 595351123 /nfs/dbraw/zinc/35/11/23/595351123.db2.gz POKKKSARERNVFK-UHFFFAOYSA-N 1 2 331.416 1.480 20 30 EDEDLO COc1cccc(C2=NO[C@@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)C2)c1 ZINC000844527991 595355100 /nfs/dbraw/zinc/35/51/00/595355100.db2.gz SQCFGVXDJQPQMH-NVXWUHKLSA-N 1 2 330.388 1.148 20 30 EDEDLO C#CC[NH+]1CCN(CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848476240 595388988 /nfs/dbraw/zinc/38/89/88/595388988.db2.gz YLCAYHJJOSLLSN-KRWDZBQOSA-N 1 2 342.399 1.119 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000847350870 595401492 /nfs/dbraw/zinc/40/14/92/595401492.db2.gz WOBIORVVOSVTRE-UHFFFAOYSA-N 1 2 331.482 1.103 20 30 EDEDLO Cc1cccc(/N=C2\NC(=O)[C@H](CC(=O)NCC[NH+](C)C)S2)c1 ZINC000106898472 595433283 /nfs/dbraw/zinc/43/32/83/595433283.db2.gz PMRQNMUWJOXILX-ZDUSSCGKSA-N 1 2 334.445 1.282 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000845505125 595508614 /nfs/dbraw/zinc/50/86/14/595508614.db2.gz PCVPYHMLJFISCE-IRXDYDNUSA-N 1 2 338.411 1.748 20 30 EDEDLO C=CCN(CC=C)C(=O)Cn1nc(C)c([C@@H]2COCC[N@H+]2C)c1C ZINC000852962512 595631531 /nfs/dbraw/zinc/63/15/31/595631531.db2.gz MPONJQFPTYJMEW-INIZCTEOSA-N 1 2 332.448 1.704 20 30 EDEDLO C=CCN(CC=C)C(=O)Cn1nc(C)c([C@@H]2COCC[N@@H+]2C)c1C ZINC000852962512 595631533 /nfs/dbraw/zinc/63/15/33/595631533.db2.gz MPONJQFPTYJMEW-INIZCTEOSA-N 1 2 332.448 1.704 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CCC2)[C@](F)(C(=O)OCC)C1 ZINC000855245754 595644139 /nfs/dbraw/zinc/64/41/39/595644139.db2.gz QFFMCAFMISASIE-KBXCAEBGSA-N 1 2 336.407 1.368 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCC2)[C@](F)(C(=O)OCC)C1 ZINC000855245754 595644140 /nfs/dbraw/zinc/64/41/40/595644140.db2.gz QFFMCAFMISASIE-KBXCAEBGSA-N 1 2 336.407 1.368 20 30 EDEDLO N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000855300683 595666775 /nfs/dbraw/zinc/66/67/75/595666775.db2.gz ZBQCIYAGZXFEFY-KXBFYZLASA-N 1 2 335.411 1.924 20 30 EDEDLO Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)nc1 ZINC000858033682 595687703 /nfs/dbraw/zinc/68/77/03/595687703.db2.gz VKDMKFFZPHKMCI-QAPCUYQASA-N 1 2 328.416 1.652 20 30 EDEDLO Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)nc1 ZINC000858033682 595687706 /nfs/dbraw/zinc/68/77/06/595687706.db2.gz VKDMKFFZPHKMCI-QAPCUYQASA-N 1 2 328.416 1.652 20 30 EDEDLO Cc1cc(Cl)ccc1NC(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000111182135 595713141 /nfs/dbraw/zinc/71/31/41/595713141.db2.gz UKGRYVUCMOYDJD-UHFFFAOYSA-N 1 2 340.811 1.208 20 30 EDEDLO C=CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H](C)COC ZINC000853270152 595724152 /nfs/dbraw/zinc/72/41/52/595724152.db2.gz LGDDDYOJDDUVIO-AWEZNQCLSA-N 1 2 329.404 2.000 20 30 EDEDLO C#CCCOC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000858908927 595918482 /nfs/dbraw/zinc/91/84/82/595918482.db2.gz FYPKVYBLJMUVKP-UHFFFAOYSA-N 1 2 325.409 1.289 20 30 EDEDLO Cc1nc2sccn2c1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000858944506 595928926 /nfs/dbraw/zinc/92/89/26/595928926.db2.gz OEXDHWFLARNXGF-UHFFFAOYSA-N 1 2 347.444 1.392 20 30 EDEDLO CCCCCCCC[N@@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000856782528 596080812 /nfs/dbraw/zinc/08/08/12/596080812.db2.gz WJIOLPKESOZENG-KBPBESRZSA-N 1 2 339.436 1.515 20 30 EDEDLO CCCCCCCC[N@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000856782528 596080817 /nfs/dbraw/zinc/08/08/17/596080817.db2.gz WJIOLPKESOZENG-KBPBESRZSA-N 1 2 339.436 1.515 20 30 EDEDLO CC(C)C#CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000854482936 596093889 /nfs/dbraw/zinc/09/38/89/596093889.db2.gz CSHHOWRUBQNADR-INIZCTEOSA-N 1 2 349.475 1.799 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CCOC3=O)C2)c(C#N)c1C ZINC000852435510 596160359 /nfs/dbraw/zinc/16/03/59/596160359.db2.gz PUMNJMOEPNMBDI-AAEUAGOBSA-N 1 2 346.387 1.622 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CCOC3=O)C2)c(C#N)c1C ZINC000852435510 596160362 /nfs/dbraw/zinc/16/03/62/596160362.db2.gz PUMNJMOEPNMBDI-AAEUAGOBSA-N 1 2 346.387 1.622 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000852489884 596180384 /nfs/dbraw/zinc/18/03/84/596180384.db2.gz IKASGYSLXCRUPP-DEOSSOPVSA-N 1 2 343.456 1.449 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCCc3ccc(OC)cc32)CC1 ZINC000852648735 596218856 /nfs/dbraw/zinc/21/88/56/596218856.db2.gz SAKAFWGLUWYWGI-UHFFFAOYSA-N 1 2 327.428 1.225 20 30 EDEDLO N#C[C@@]1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCCOC1 ZINC000864546430 596259987 /nfs/dbraw/zinc/25/99/87/596259987.db2.gz CIOZOIZNVFKCIT-IBGZPJMESA-N 1 2 343.427 1.530 20 30 EDEDLO Cn1c[nH+]c(CCNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000868693464 596272821 /nfs/dbraw/zinc/27/28/21/596272821.db2.gz ORIGZNDUPLMZJY-UHFFFAOYSA-N 1 2 338.415 1.366 20 30 EDEDLO C=CCNC(=O)c1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000864945939 596423911 /nfs/dbraw/zinc/42/39/11/596423911.db2.gz QQXSNZIWNSCYTK-ONEGZZNKSA-N 1 2 329.400 1.429 20 30 EDEDLO C=CCCS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@H]2C1 ZINC000867623513 596466742 /nfs/dbraw/zinc/46/67/42/596466742.db2.gz CSWJZDAIIJJKHD-GJZGRUSLSA-N 1 2 337.445 1.397 20 30 EDEDLO N#CCc1ccc(CS(=O)(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000867714079 596511453 /nfs/dbraw/zinc/51/14/53/596511453.db2.gz WNKHFLJXPIWTEM-INIZCTEOSA-N 1 2 339.436 1.606 20 30 EDEDLO N#CCc1ccc(CS(=O)(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1 ZINC000867714079 596511455 /nfs/dbraw/zinc/51/14/55/596511455.db2.gz WNKHFLJXPIWTEM-INIZCTEOSA-N 1 2 339.436 1.606 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000867759991 596535984 /nfs/dbraw/zinc/53/59/84/596535984.db2.gz GHMMSUFYQBQOOP-HIFRSBDPSA-N 1 2 349.460 1.345 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000869707935 596603697 /nfs/dbraw/zinc/60/36/97/596603697.db2.gz WJAAXJBLQVNKGL-GJZGRUSLSA-N 1 2 340.345 1.953 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000869707935 596603699 /nfs/dbraw/zinc/60/36/99/596603699.db2.gz WJAAXJBLQVNKGL-GJZGRUSLSA-N 1 2 340.345 1.953 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000870093796 596747774 /nfs/dbraw/zinc/74/77/74/596747774.db2.gz QUBNKZRUCKUUSP-IAGOWNOFSA-N 1 2 335.411 1.744 20 30 EDEDLO C=C(Cl)CNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000868275521 596759776 /nfs/dbraw/zinc/75/97/76/596759776.db2.gz SBHRTLQAUNJXAQ-UHFFFAOYSA-N 1 2 331.844 1.844 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@H]2C#N)c(N(C)C)[nH+]1 ZINC000874051664 596908746 /nfs/dbraw/zinc/90/87/46/596908746.db2.gz YYQXFGMRSNQELA-GXTWGEPZSA-N 1 2 329.404 1.545 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3CCC4(CCC4)C3=O)C2)nc1 ZINC000872613763 596991186 /nfs/dbraw/zinc/99/11/86/596991186.db2.gz QEKOFJQYEKEVQY-OAHLLOKOSA-N 1 2 326.400 1.766 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3CCC4(CCC4)C3=O)C2)nc1 ZINC000872613763 596991189 /nfs/dbraw/zinc/99/11/89/596991189.db2.gz QEKOFJQYEKEVQY-OAHLLOKOSA-N 1 2 326.400 1.766 20 30 EDEDLO CN(C)S(=O)(=O)c1cnn(C[N@H+](C)CCc2cccc(C#N)c2)c1 ZINC000872706024 597039005 /nfs/dbraw/zinc/03/90/05/597039005.db2.gz NSTYPDLQZXEOBU-UHFFFAOYSA-N 1 2 347.444 1.137 20 30 EDEDLO CN(C)S(=O)(=O)c1cnn(C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC000872706024 597039009 /nfs/dbraw/zinc/03/90/09/597039009.db2.gz NSTYPDLQZXEOBU-UHFFFAOYSA-N 1 2 347.444 1.137 20 30 EDEDLO Cc1nn(C[NH+]2CCN(CCC#N)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000872733588 597050953 /nfs/dbraw/zinc/05/09/53/597050953.db2.gz GCBVLJLXSVRQPE-UHFFFAOYSA-N 1 2 328.376 1.742 20 30 EDEDLO C=CCN1CCN(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)C1=O ZINC000872754292 597058853 /nfs/dbraw/zinc/05/88/53/597058853.db2.gz ZVCMYPCKMWRPHN-CYBMUJFWSA-N 1 2 334.342 1.010 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)C1=O ZINC000872754292 597058858 /nfs/dbraw/zinc/05/88/58/597058858.db2.gz ZVCMYPCKMWRPHN-CYBMUJFWSA-N 1 2 334.342 1.010 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000874705152 597149390 /nfs/dbraw/zinc/14/93/90/597149390.db2.gz SVUHIYOKGMKPDI-MRXNPFEDSA-N 1 2 345.443 1.943 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000874705152 597149393 /nfs/dbraw/zinc/14/93/93/597149393.db2.gz SVUHIYOKGMKPDI-MRXNPFEDSA-N 1 2 345.443 1.943 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)OC)n2C)c1 ZINC000876621592 597264917 /nfs/dbraw/zinc/26/49/17/597264917.db2.gz CKONFZOYJBTBKL-UHFFFAOYSA-N 1 2 339.395 1.864 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(=O)OC)n2C)c1 ZINC000876621592 597264921 /nfs/dbraw/zinc/26/49/21/597264921.db2.gz CKONFZOYJBTBKL-UHFFFAOYSA-N 1 2 339.395 1.864 20 30 EDEDLO COc1cc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)ccc1C#N ZINC000877776825 597555157 /nfs/dbraw/zinc/55/51/57/597555157.db2.gz CMCMGFQOWYQPRN-UHFFFAOYSA-N 1 2 327.306 1.677 20 30 EDEDLO C=CC[C@@H](C(=O)OC)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000877900955 597562833 /nfs/dbraw/zinc/56/28/33/597562833.db2.gz ZHPSXDTWTBDFBT-HOTGVXAUSA-N 1 2 337.464 1.123 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499485 597609173 /nfs/dbraw/zinc/60/91/73/597609173.db2.gz WECGXQYRLOVONK-NVXWUHKLSA-N 1 2 341.459 1.874 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499485 597609176 /nfs/dbraw/zinc/60/91/76/597609176.db2.gz WECGXQYRLOVONK-NVXWUHKLSA-N 1 2 341.459 1.874 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879692360 597689274 /nfs/dbraw/zinc/68/92/74/597689274.db2.gz LGJLOOPSVGQEGN-OKILXGFUSA-N 1 2 336.457 1.436 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879692360 597689276 /nfs/dbraw/zinc/68/92/76/597689276.db2.gz LGJLOOPSVGQEGN-OKILXGFUSA-N 1 2 336.457 1.436 20 30 EDEDLO C#CCN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CSC1 ZINC000878911455 597753191 /nfs/dbraw/zinc/75/31/91/597753191.db2.gz MPXPKDFGMHVGCZ-UHFFFAOYSA-N 1 2 349.525 1.443 20 30 EDEDLO CN(C[C@@H](O)C[N@H+](C)Cc1ccncc1C#N)C(=O)OC(C)(C)C ZINC000879080750 597814049 /nfs/dbraw/zinc/81/40/49/597814049.db2.gz PFVRYHSLFNABHD-HNNXBMFYSA-N 1 2 334.420 1.613 20 30 EDEDLO CN(C[C@@H](O)C[N@@H+](C)Cc1ccncc1C#N)C(=O)OC(C)(C)C ZINC000879080750 597814050 /nfs/dbraw/zinc/81/40/50/597814050.db2.gz PFVRYHSLFNABHD-HNNXBMFYSA-N 1 2 334.420 1.613 20 30 EDEDLO N#C[C@H](C(=O)C[N@H+]1CC[C@@H](CF)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000880297097 597894691 /nfs/dbraw/zinc/89/46/91/597894691.db2.gz JFVPIDYZPVKYOX-WCQYABFASA-N 1 2 328.347 1.803 20 30 EDEDLO N#C[C@H](C(=O)C[N@@H+]1CC[C@@H](CF)C1)c1nc2ccccc2c(=O)[nH]1 ZINC000880297097 597894692 /nfs/dbraw/zinc/89/46/92/597894692.db2.gz JFVPIDYZPVKYOX-WCQYABFASA-N 1 2 328.347 1.803 20 30 EDEDLO CO[C@]1(C(F)(F)F)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000880305809 597896495 /nfs/dbraw/zinc/89/64/95/597896495.db2.gz YNAFJLSUNZLBIT-OAHLLOKOSA-N 1 2 341.333 1.828 20 30 EDEDLO CO[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000880305809 597896497 /nfs/dbraw/zinc/89/64/97/597896497.db2.gz YNAFJLSUNZLBIT-OAHLLOKOSA-N 1 2 341.333 1.828 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880323269 597901785 /nfs/dbraw/zinc/90/17/85/597901785.db2.gz PXXWRPITSAEXQT-LBPRGKRZSA-N 1 2 335.429 1.167 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880323269 597901788 /nfs/dbraw/zinc/90/17/88/597901788.db2.gz PXXWRPITSAEXQT-LBPRGKRZSA-N 1 2 335.429 1.167 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000884085019 597990068 /nfs/dbraw/zinc/99/00/68/597990068.db2.gz IVQFBRHPPPMSEJ-STQMWFEESA-N 1 2 338.404 1.925 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(Oc2ccc(C)cc2)CC1 ZINC000884087296 597991029 /nfs/dbraw/zinc/99/10/29/597991029.db2.gz YFFRSSHRSHTKMU-KRWDZBQOSA-N 1 2 346.427 1.811 20 30 EDEDLO N#Cc1ccc(C[NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)c(F)c1 ZINC000737717640 598316694 /nfs/dbraw/zinc/31/66/94/598316694.db2.gz HWOUEKYOVWWWJD-UHFFFAOYSA-N 1 2 349.333 1.210 20 30 EDEDLO C[C@H](C#N)C(=O)NCc1ccccc1CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001060522420 695728348 /nfs/dbraw/zinc/72/83/48/695728348.db2.gz XZRUTNILDBTGLJ-CYBMUJFWSA-N 1 2 339.399 1.387 20 30 EDEDLO C#CCOCCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000153608478 695821248 /nfs/dbraw/zinc/82/12/48/695821248.db2.gz KOLRWAFFKFYDCA-UHFFFAOYSA-N 1 2 329.444 1.878 20 30 EDEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001031276205 696103850 /nfs/dbraw/zinc/10/38/50/696103850.db2.gz PZNJPDZBPLHASH-OAHLLOKOSA-N 1 2 329.400 1.077 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nc3ncc(C)cn3n2)[C@H]1C ZINC000993467266 696172737 /nfs/dbraw/zinc/17/27/37/696172737.db2.gz LJJOGKUDLFYKTP-OLZOCXBDSA-N 1 2 348.838 1.768 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nc3ncc(C)cn3n2)[C@H]1C ZINC000993467266 696172739 /nfs/dbraw/zinc/17/27/39/696172739.db2.gz LJJOGKUDLFYKTP-OLZOCXBDSA-N 1 2 348.838 1.768 20 30 EDEDLO COC[C@@H](C)NC(=S)N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000916281914 696647548 /nfs/dbraw/zinc/64/75/48/696647548.db2.gz VYVFEEIZBAEHHY-CYBMUJFWSA-N 1 2 333.461 1.869 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnn(CCOC)c2)[C@H]1C ZINC000994334886 696749046 /nfs/dbraw/zinc/74/90/46/696749046.db2.gz AVHNVWXZLOPJNI-HIFRSBDPSA-N 1 2 340.855 1.865 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(CCOC)c2)[C@H]1C ZINC000994334886 696749049 /nfs/dbraw/zinc/74/90/49/696749049.db2.gz AVHNVWXZLOPJNI-HIFRSBDPSA-N 1 2 340.855 1.865 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)c1cnsn1 ZINC001031562286 697252982 /nfs/dbraw/zinc/25/29/82/697252982.db2.gz HEIYAOMGAWKHKJ-UHFFFAOYSA-N 1 2 346.843 1.905 20 30 EDEDLO CCO[C@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031564342 697255265 /nfs/dbraw/zinc/25/52/65/697255265.db2.gz DBRYMFNXBBSRLW-WBVHZDCISA-N 1 2 331.391 1.670 20 30 EDEDLO COC(=O)[C@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031577640 697273724 /nfs/dbraw/zinc/27/37/24/697273724.db2.gz CEBOIEMNKWBDTE-CABCVRRESA-N 1 2 345.374 1.054 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCCc3c[nH]nc32)C1 ZINC001031672574 697473065 /nfs/dbraw/zinc/47/30/65/697473065.db2.gz KHZFKYHKDHRABP-GOSISDBHSA-N 1 2 349.438 1.949 20 30 EDEDLO Cn1ncc(Cl)c1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031673747 697486128 /nfs/dbraw/zinc/48/61/28/697486128.db2.gz UZZWQKBOARWHCH-UHFFFAOYSA-N 1 2 349.847 1.868 20 30 EDEDLO C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1)n1cc[nH+]c1 ZINC000940063123 700158449 /nfs/dbraw/zinc/15/84/49/700158449.db2.gz ZWRYFRXPMRNWCU-GXTWGEPZSA-N 1 2 340.387 1.065 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)o2)CC1 ZINC000921438299 697613321 /nfs/dbraw/zinc/61/33/21/697613321.db2.gz XHBXSGMDOKYKDL-UHFFFAOYSA-N 1 2 347.234 1.418 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cnc3n2CCC3)C1 ZINC001031741561 698317028 /nfs/dbraw/zinc/31/70/28/698317028.db2.gz DPSFWJGBGCWQBH-UHFFFAOYSA-N 1 2 335.411 1.563 20 30 EDEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938779617 698680452 /nfs/dbraw/zinc/68/04/52/698680452.db2.gz DMWOJFJGFTYUBL-HNNXBMFYSA-N 1 2 341.415 1.244 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000938779756 698681236 /nfs/dbraw/zinc/68/12/36/698681236.db2.gz GZYWZNVZSOHDIO-QGZVFWFLSA-N 1 2 336.395 1.238 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3cn[nH]c(=O)c3)C2)ccc1F ZINC001031750812 698951196 /nfs/dbraw/zinc/95/11/96/698951196.db2.gz IEDKJKBGQUPZEX-UHFFFAOYSA-N 1 2 341.346 1.055 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3CCC)CC2)C1 ZINC000941479503 701552828 /nfs/dbraw/zinc/55/28/28/701552828.db2.gz GWWORWAHFMXQIL-UHFFFAOYSA-N 1 2 325.456 1.714 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@]23CCOC3)C1 ZINC001032114748 698961714 /nfs/dbraw/zinc/96/17/14/698961714.db2.gz JGFUMVSKZQSVHI-PKOBYXMFSA-N 1 2 325.412 1.533 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@H]1CCn2cncc2C1 ZINC001031775982 699149878 /nfs/dbraw/zinc/14/98/78/699149878.db2.gz MMTKQMGBORWDOR-IBGZPJMESA-N 1 2 348.450 1.545 20 30 EDEDLO C[C@H]1COCC[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031957600 701569977 /nfs/dbraw/zinc/56/99/77/701569977.db2.gz APNBDAXZJYGUFM-HNAYVOBHSA-N 1 2 344.430 1.898 20 30 EDEDLO C[C@H]1COCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031960688 701580234 /nfs/dbraw/zinc/58/02/34/701580234.db2.gz NNGNCIUSLCMZTQ-KSSFIOAISA-N 1 2 327.428 1.779 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CC(NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000994924964 699459309 /nfs/dbraw/zinc/45/93/09/699459309.db2.gz CWCAFGAUDCBQBV-UHFFFAOYSA-N 1 2 340.383 1.089 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OCC)cc3)CC2)C1 ZINC000941654465 701605881 /nfs/dbraw/zinc/60/58/81/701605881.db2.gz HATSMPYYBQWOAK-UHFFFAOYSA-N 1 2 327.428 1.161 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(CC)no3)C2)cn1 ZINC000939567867 699710770 /nfs/dbraw/zinc/71/07/70/699710770.db2.gz OTIBCXJZNUEHHF-IUODEOHRSA-N 1 2 339.399 1.259 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3sc(CCC)nc3C)CC2)C1 ZINC000941666450 701620727 /nfs/dbraw/zinc/62/07/27/701620727.db2.gz ZVNQESMWHDTTTR-UHFFFAOYSA-N 1 2 346.500 1.479 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3csnn3)C2)c(F)c1 ZINC001031882159 700529501 /nfs/dbraw/zinc/52/95/01/700529501.db2.gz KLXUAXIFNFKLEJ-UHFFFAOYSA-N 1 2 331.376 1.411 20 30 EDEDLO CC1(C)C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940693533 700835658 /nfs/dbraw/zinc/83/56/58/700835658.db2.gz VQQPHDYHNULVSN-OAHLLOKOSA-N 1 2 327.388 1.905 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940693533 700835660 /nfs/dbraw/zinc/83/56/60/700835660.db2.gz VQQPHDYHNULVSN-OAHLLOKOSA-N 1 2 327.388 1.905 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC000945968453 701324594 /nfs/dbraw/zinc/32/45/94/701324594.db2.gz DZZHGFRYXJOMBG-NVXWUHKLSA-N 1 2 340.427 1.205 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC000945968453 701324596 /nfs/dbraw/zinc/32/45/96/701324596.db2.gz DZZHGFRYXJOMBG-NVXWUHKLSA-N 1 2 340.427 1.205 20 30 EDEDLO O=C(C#CC1CC1)N1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000944009119 701855201 /nfs/dbraw/zinc/85/52/01/701855201.db2.gz VTWUSTPIWHLOBL-CABCVRRESA-N 1 2 340.427 1.350 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccc(=O)[nH]c3)C2)c(F)c1 ZINC001032168748 702077570 /nfs/dbraw/zinc/07/75/70/702077570.db2.gz PTBLVJNOUALRPO-UHFFFAOYSA-N 1 2 340.358 1.660 20 30 EDEDLO CCn1ncc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1 ZINC000941928802 702155035 /nfs/dbraw/zinc/15/50/35/702155035.db2.gz HMBHJKODCDHTCC-DOMZBBRYSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)[C@H](C)C2)n1 ZINC000941928802 702155036 /nfs/dbraw/zinc/15/50/36/702155036.db2.gz HMBHJKODCDHTCC-DOMZBBRYSA-N 1 2 341.419 1.138 20 30 EDEDLO Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)n1 ZINC000941961912 702244658 /nfs/dbraw/zinc/24/46/58/702244658.db2.gz AYICCMFJJDWPAO-IINYFYTJSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1noc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)n1 ZINC000941961912 702244660 /nfs/dbraw/zinc/24/46/60/702244660.db2.gz AYICCMFJJDWPAO-IINYFYTJSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)nc1 ZINC000941962028 702245552 /nfs/dbraw/zinc/24/55/52/702245552.db2.gz CFBMNBSWWOGOQA-CZUORRHYSA-N 1 2 338.415 1.625 20 30 EDEDLO Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H](C)C2)nc1 ZINC000941962028 702245555 /nfs/dbraw/zinc/24/55/55/702245555.db2.gz CFBMNBSWWOGOQA-CZUORRHYSA-N 1 2 338.415 1.625 20 30 EDEDLO Cc1nc(C)c(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)[nH]1 ZINC001031984989 702355634 /nfs/dbraw/zinc/35/56/34/702355634.db2.gz IIZLEHFDWZDOAW-UHFFFAOYSA-N 1 2 340.402 1.879 20 30 EDEDLO CCn1ccc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)n1 ZINC001032028382 703053508 /nfs/dbraw/zinc/05/35/08/703053508.db2.gz MMKRVCSDSPKQLD-UHFFFAOYSA-N 1 2 341.390 1.776 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(C)no3)C[C@H]2C)cc1 ZINC000942552156 703060780 /nfs/dbraw/zinc/06/07/80/703060780.db2.gz BTIWUGKFEATLRE-CXAGYDPISA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nc(C)no3)C[C@H]2C)cc1 ZINC000942552156 703060782 /nfs/dbraw/zinc/06/07/82/703060782.db2.gz BTIWUGKFEATLRE-CXAGYDPISA-N 1 2 338.411 2.000 20 30 EDEDLO O=C(c1cccc(=O)[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032337181 703151729 /nfs/dbraw/zinc/15/17/29/703151729.db2.gz YDVWAJOQOFFGSU-IRXDYDNUSA-N 1 2 333.391 1.738 20 30 EDEDLO O=C(c1cccc(=O)[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032337181 703151731 /nfs/dbraw/zinc/15/17/31/703151731.db2.gz YDVWAJOQOFFGSU-IRXDYDNUSA-N 1 2 333.391 1.738 20 30 EDEDLO Cc1c[nH]c(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001032040851 703158970 /nfs/dbraw/zinc/15/89/70/703158970.db2.gz XMXWPLNRQNHKQE-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(F)CCOCC2)cc1 ZINC001032437269 703605358 /nfs/dbraw/zinc/60/53/58/703605358.db2.gz YVJPSWDRMBQMOQ-IRXDYDNUSA-N 1 2 343.402 1.862 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(F)CCOCC2)cc1 ZINC001032437269 703605360 /nfs/dbraw/zinc/60/53/60/703605360.db2.gz YVJPSWDRMBQMOQ-IRXDYDNUSA-N 1 2 343.402 1.862 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)C1 ZINC000999278157 706770306 /nfs/dbraw/zinc/77/03/06/706770306.db2.gz UWPHFXGCUYPXOJ-UHFFFAOYSA-N 1 2 338.411 1.940 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cn[nH]c2)cc1C#N ZINC001038076990 703915302 /nfs/dbraw/zinc/91/53/02/703915302.db2.gz JDSIAMGBKSTFJF-HNNXBMFYSA-N 1 2 325.372 1.294 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cn[nH]c2)cc1C#N ZINC001038076990 703915303 /nfs/dbraw/zinc/91/53/03/703915303.db2.gz JDSIAMGBKSTFJF-HNNXBMFYSA-N 1 2 325.372 1.294 20 30 EDEDLO N#Cc1cnccc1N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061478446 704271053 /nfs/dbraw/zinc/27/10/53/704271053.db2.gz YIXLNXZNGVIAGA-RBSFLKMASA-N 1 2 336.399 1.565 20 30 EDEDLO N#Cc1cnccc1N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061478446 704271055 /nfs/dbraw/zinc/27/10/55/704271055.db2.gz YIXLNXZNGVIAGA-RBSFLKMASA-N 1 2 336.399 1.565 20 30 EDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC000944983833 704878548 /nfs/dbraw/zinc/87/85/48/704878548.db2.gz URRJAJMBKSASSX-CYBMUJFWSA-N 1 2 343.431 1.298 20 30 EDEDLO CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000995691060 705541486 /nfs/dbraw/zinc/54/14/86/705541486.db2.gz RVKGDIHGKMFZEI-ZDUSSCGKSA-N 1 2 330.417 1.378 20 30 EDEDLO Cc1nnc([C@H](C)[NH2+][C@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)o1 ZINC000995691380 705542625 /nfs/dbraw/zinc/54/26/25/705542625.db2.gz URMIWQGTOUNHMV-HZMBPMFUSA-N 1 2 342.403 1.779 20 30 EDEDLO C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C3)C1 ZINC000999012368 706431590 /nfs/dbraw/zinc/43/15/90/706431590.db2.gz IPHHZQTYQKUMHN-KBMXLJTQSA-N 1 2 342.443 1.865 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)cc1 ZINC000999353247 706866110 /nfs/dbraw/zinc/86/61/10/706866110.db2.gz CMXJFLYDHFUZFN-INIZCTEOSA-N 1 2 348.406 1.452 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C2 ZINC000999737907 707284650 /nfs/dbraw/zinc/28/46/50/707284650.db2.gz MBAWPCOJVYZNEX-KHSSZTOVSA-N 1 2 330.432 1.803 20 30 EDEDLO Cc1n[nH]nc1C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033319491 707497826 /nfs/dbraw/zinc/49/78/26/707497826.db2.gz SLUZYGRQLBMUBL-INIZCTEOSA-N 1 2 341.390 1.450 20 30 EDEDLO Cc1n[nH]nc1C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033319491 707497830 /nfs/dbraw/zinc/49/78/30/707497830.db2.gz SLUZYGRQLBMUBL-INIZCTEOSA-N 1 2 341.390 1.450 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(OC)no3)C2)c1 ZINC001033404623 707813691 /nfs/dbraw/zinc/81/36/91/707813691.db2.gz DIVGZBVSDOJNOU-HNNXBMFYSA-N 1 2 340.383 1.406 20 30 EDEDLO C#Cc1cncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(OC)no3)C2)c1 ZINC001033404623 707813693 /nfs/dbraw/zinc/81/36/93/707813693.db2.gz DIVGZBVSDOJNOU-HNNXBMFYSA-N 1 2 340.383 1.406 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001033485720 707954037 /nfs/dbraw/zinc/95/40/37/707954037.db2.gz NWDQQHODFXAQHT-LBPRGKRZSA-N 1 2 336.823 1.958 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(C3CC3)[nH]c2=O)C1 ZINC001033485720 707954039 /nfs/dbraw/zinc/95/40/39/707954039.db2.gz NWDQQHODFXAQHT-LBPRGKRZSA-N 1 2 336.823 1.958 20 30 EDEDLO N#Cc1cnccc1NC[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001060944264 708010119 /nfs/dbraw/zinc/01/01/19/708010119.db2.gz GRGSEGAFSXJMQY-AWEZNQCLSA-N 1 2 346.394 1.597 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CNc2cnc(C#N)cn2)C1 ZINC001061004680 708151069 /nfs/dbraw/zinc/15/10/69/708151069.db2.gz QMRULWOZTYROHF-CHWSQXEVSA-N 1 2 339.403 1.211 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CNc2cnc(C#N)cn2)C1 ZINC001061004680 708151070 /nfs/dbraw/zinc/15/10/70/708151070.db2.gz QMRULWOZTYROHF-CHWSQXEVSA-N 1 2 339.403 1.211 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc3nc(C)nn32)C1 ZINC001033575412 708249707 /nfs/dbraw/zinc/24/97/07/708249707.db2.gz ADXCZIZUXFFARR-GFCCVEGCSA-N 1 2 334.811 1.332 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc3nc(C)nn32)C1 ZINC001033575412 708249709 /nfs/dbraw/zinc/24/97/09/708249709.db2.gz ADXCZIZUXFFARR-GFCCVEGCSA-N 1 2 334.811 1.332 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](CNC(=O)c3cccc4[nH+]ccn43)C2)nn1 ZINC001061681269 708444430 /nfs/dbraw/zinc/44/44/30/708444430.db2.gz WCGIJHKYOFTJEZ-CYBMUJFWSA-N 1 2 347.382 1.252 20 30 EDEDLO N#Cc1cncc(N[C@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001061095991 709035331 /nfs/dbraw/zinc/03/53/31/709035331.db2.gz PHDAYBBAVYAKOI-QWHCGFSZSA-N 1 2 325.376 1.084 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H](Nc2ccncc2C#N)C1 ZINC001061099355 709079205 /nfs/dbraw/zinc/07/92/05/709079205.db2.gz VNZGMBYEGXYBCP-CABCVRRESA-N 1 2 338.415 1.489 20 30 EDEDLO C=CCn1cccc1C(=O)NCC1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001002615854 709171970 /nfs/dbraw/zinc/17/19/70/709171970.db2.gz MEKKCFURYCVHNB-UHFFFAOYSA-N 1 2 341.415 1.149 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C(N)=O)n2)C1 ZINC001034051784 709280351 /nfs/dbraw/zinc/28/03/51/709280351.db2.gz AQEKQFDNKRUTJJ-GFCCVEGCSA-N 1 2 336.823 1.469 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C(N)=O)n2)C1 ZINC001034051784 709280353 /nfs/dbraw/zinc/28/03/53/709280353.db2.gz AQEKQFDNKRUTJJ-GFCCVEGCSA-N 1 2 336.823 1.469 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001002761424 709370322 /nfs/dbraw/zinc/37/03/22/709370322.db2.gz GALVLUIACCTKLT-BEFAXECRSA-N 1 2 344.459 1.622 20 30 EDEDLO C=CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001061735680 709581478 /nfs/dbraw/zinc/58/14/78/709581478.db2.gz VFDNHXCWWNEOAA-OAHLLOKOSA-N 1 2 348.447 1.219 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](N(C)c2nccnc2C#N)C1 ZINC001061220636 709786552 /nfs/dbraw/zinc/78/65/52/709786552.db2.gz JCDMHQKKRPRTEY-ZDUSSCGKSA-N 1 2 339.403 1.050 20 30 EDEDLO N#CCN1CCCC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001034361911 709876960 /nfs/dbraw/zinc/87/69/60/709876960.db2.gz UUHUHIRXOOYLKY-RDJZCZTQSA-N 1 2 334.464 1.124 20 30 EDEDLO N#CCN1CCCC[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001034361911 709876962 /nfs/dbraw/zinc/87/69/62/709876962.db2.gz UUHUHIRXOOYLKY-RDJZCZTQSA-N 1 2 334.464 1.124 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2nccn2CC)C1 ZINC001034403472 709950818 /nfs/dbraw/zinc/95/08/18/709950818.db2.gz HKPVRSQMGQDREN-ZACQAIPSSA-N 1 2 346.475 1.965 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2nccn2CC)C1 ZINC001034403472 709950822 /nfs/dbraw/zinc/95/08/22/709950822.db2.gz HKPVRSQMGQDREN-ZACQAIPSSA-N 1 2 346.475 1.965 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nnc(C)o2)C1 ZINC001034404380 709952369 /nfs/dbraw/zinc/95/23/69/709952369.db2.gz RCOLCDRPPIUYEN-ZNMIVQPWSA-N 1 2 334.420 1.440 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nnc(C)o2)C1 ZINC001034404380 709952373 /nfs/dbraw/zinc/95/23/73/709952373.db2.gz RCOLCDRPPIUYEN-ZNMIVQPWSA-N 1 2 334.420 1.440 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034405239 709953422 /nfs/dbraw/zinc/95/34/22/709953422.db2.gz ZEYRJBWSXZWJLT-OIISXLGYSA-N 1 2 332.448 1.482 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034405239 709953426 /nfs/dbraw/zinc/95/34/26/709953426.db2.gz ZEYRJBWSXZWJLT-OIISXLGYSA-N 1 2 332.448 1.482 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001034500541 710169291 /nfs/dbraw/zinc/16/92/91/710169291.db2.gz FDUOIRLYMDUULX-RYUDHWBXSA-N 1 2 344.253 1.144 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001034500541 710169293 /nfs/dbraw/zinc/16/92/93/710169293.db2.gz FDUOIRLYMDUULX-RYUDHWBXSA-N 1 2 344.253 1.144 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cncnc3)C2)s1 ZINC001007185805 710388769 /nfs/dbraw/zinc/38/87/69/710388769.db2.gz YBSPHNICCYNFDY-ZDUSSCGKSA-N 1 2 327.413 1.804 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cncnc3)C2)s1 ZINC001007185805 710388770 /nfs/dbraw/zinc/38/87/70/710388770.db2.gz YBSPHNICCYNFDY-ZDUSSCGKSA-N 1 2 327.413 1.804 20 30 EDEDLO CN(C(=O)c1cc[nH]n1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032927066 710787407 /nfs/dbraw/zinc/78/74/07/710787407.db2.gz WPAMYUDPOKELIR-INIZCTEOSA-N 1 2 326.375 1.747 20 30 EDEDLO CN(C(=O)c1cc[nH]n1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032927066 710787412 /nfs/dbraw/zinc/78/74/12/710787412.db2.gz WPAMYUDPOKELIR-INIZCTEOSA-N 1 2 326.375 1.747 20 30 EDEDLO CN(C(=O)c1ccn[nH]1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032927066 710787416 /nfs/dbraw/zinc/78/74/16/710787416.db2.gz WPAMYUDPOKELIR-INIZCTEOSA-N 1 2 326.375 1.747 20 30 EDEDLO CN(C(=O)c1ccn[nH]1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001032927066 710787422 /nfs/dbraw/zinc/78/74/22/710787422.db2.gz WPAMYUDPOKELIR-INIZCTEOSA-N 1 2 326.375 1.747 20 30 EDEDLO Cc1cc(=O)c(C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)c[nH]1 ZINC001003903964 710859790 /nfs/dbraw/zinc/85/97/90/710859790.db2.gz SIZKKGRJKAYGPY-UHFFFAOYSA-N 1 2 349.434 1.929 20 30 EDEDLO C=C[C@@H](CC)CC(=O)NC[C@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC001061799493 710976710 /nfs/dbraw/zinc/97/67/10/710976710.db2.gz VYYYLTGJBODQMD-HOTGVXAUSA-N 1 2 348.447 1.219 20 30 EDEDLO CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)o1 ZINC001034911788 711339973 /nfs/dbraw/zinc/33/99/73/711339973.db2.gz HYKNXLXTRVEEJH-CYBMUJFWSA-N 1 2 342.403 1.787 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001004056217 711357815 /nfs/dbraw/zinc/35/78/15/711357815.db2.gz OKZZFDFQYPYGER-UHFFFAOYSA-N 1 2 338.411 1.683 20 30 EDEDLO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)on1 ZINC001033027112 711434192 /nfs/dbraw/zinc/43/41/92/711434192.db2.gz VDSORNWCAHRPJU-NSHDSACASA-N 1 2 346.412 1.963 20 30 EDEDLO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)on1 ZINC001033027112 711434194 /nfs/dbraw/zinc/43/41/94/711434194.db2.gz VDSORNWCAHRPJU-NSHDSACASA-N 1 2 346.412 1.963 20 30 EDEDLO N#Cc1cncc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000922480062 711599057 /nfs/dbraw/zinc/59/90/57/711599057.db2.gz CDBDUBIVJICUJJ-SFHVURJKSA-N 1 2 337.379 1.897 20 30 EDEDLO N#Cc1cncc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000922480062 711599059 /nfs/dbraw/zinc/59/90/59/711599059.db2.gz CDBDUBIVJICUJJ-SFHVURJKSA-N 1 2 337.379 1.897 20 30 EDEDLO CN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033054283 711621958 /nfs/dbraw/zinc/62/19/58/711621958.db2.gz JHKYBMWGGVZHJL-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1cn(C)nn1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033054283 711621961 /nfs/dbraw/zinc/62/19/61/711621961.db2.gz JHKYBMWGGVZHJL-CQSZACIVSA-N 1 2 342.378 1.172 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC001004476034 711855784 /nfs/dbraw/zinc/85/57/84/711855784.db2.gz BLHHYFBWDXONCI-MRXNPFEDSA-N 1 2 338.415 1.569 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn3cccnc3n2)CC1 ZINC001004476034 711855786 /nfs/dbraw/zinc/85/57/86/711855786.db2.gz BLHHYFBWDXONCI-MRXNPFEDSA-N 1 2 338.415 1.569 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001004549150 711959431 /nfs/dbraw/zinc/95/94/31/711959431.db2.gz UTUHSPUMDPXXLT-PMPSAXMXSA-N 1 2 332.448 1.115 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001004549150 711959433 /nfs/dbraw/zinc/95/94/33/711959433.db2.gz UTUHSPUMDPXXLT-PMPSAXMXSA-N 1 2 332.448 1.115 20 30 EDEDLO CCCN1C[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CC1=O ZINC001004581468 712013901 /nfs/dbraw/zinc/01/39/01/712013901.db2.gz TVODKTJAYQZHPG-SJORKVTESA-N 1 2 346.475 1.471 20 30 EDEDLO CCCN1C[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CC1=O ZINC001004581468 712013903 /nfs/dbraw/zinc/01/39/03/712013903.db2.gz TVODKTJAYQZHPG-SJORKVTESA-N 1 2 346.475 1.471 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC001004601907 712024126 /nfs/dbraw/zinc/02/41/26/712024126.db2.gz RNKCLTBSVKUTKK-IRXDYDNUSA-N 1 2 346.475 1.662 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC001004601907 712024129 /nfs/dbraw/zinc/02/41/29/712024129.db2.gz RNKCLTBSVKUTKK-IRXDYDNUSA-N 1 2 346.475 1.662 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC001004595113 712034906 /nfs/dbraw/zinc/03/49/06/712034906.db2.gz FPLKPKQABFAMEX-RHSMWYFYSA-N 1 2 342.447 1.136 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CC1 ZINC001004595113 712034909 /nfs/dbraw/zinc/03/49/09/712034909.db2.gz FPLKPKQABFAMEX-RHSMWYFYSA-N 1 2 342.447 1.136 20 30 EDEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033147148 712038298 /nfs/dbraw/zinc/03/82/98/712038298.db2.gz UIZFTQRGHROMKR-INIZCTEOSA-N 1 2 327.432 1.754 20 30 EDEDLO C=CCn1cccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033147148 712038300 /nfs/dbraw/zinc/03/83/00/712038300.db2.gz UIZFTQRGHROMKR-INIZCTEOSA-N 1 2 327.432 1.754 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 ZINC001004622841 712069699 /nfs/dbraw/zinc/06/96/99/712069699.db2.gz DVBJQNBOBSIWAX-INIZCTEOSA-N 1 2 341.415 1.021 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cccc(C(N)=O)n2)CC1 ZINC001004622841 712069700 /nfs/dbraw/zinc/06/97/00/712069700.db2.gz DVBJQNBOBSIWAX-INIZCTEOSA-N 1 2 341.415 1.021 20 30 EDEDLO CC(C)(CNC(=O)N[C@@H]1CCC(=O)NC1(C)C)[NH+]1CCOCC1 ZINC000328735553 539358927 /nfs/dbraw/zinc/35/89/27/539358927.db2.gz JBQWSHFPQZZRPF-GFCCVEGCSA-N 1 2 326.441 1.498 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC000328806645 539367493 /nfs/dbraw/zinc/36/74/93/539367493.db2.gz CMWCIRRQFUISFT-INIZCTEOSA-N 1 2 331.416 1.192 20 30 EDEDLO C[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC000328806645 539367495 /nfs/dbraw/zinc/36/74/95/539367495.db2.gz CMWCIRRQFUISFT-INIZCTEOSA-N 1 2 331.416 1.192 20 30 EDEDLO CN(CCCn1cc[nH+]c1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000130357612 529899113 /nfs/dbraw/zinc/89/91/13/529899113.db2.gz CKGROPCLEDRYQC-UHFFFAOYSA-N 1 2 332.429 1.551 20 30 EDEDLO O=C(Cc1cccnc1)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000328918639 539377713 /nfs/dbraw/zinc/37/77/13/539377713.db2.gz LFNPSUJPBFRNQE-UHFFFAOYSA-N 1 2 330.432 1.525 20 30 EDEDLO CCCC(=O)N1CSC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000329079264 539403741 /nfs/dbraw/zinc/40/37/41/539403741.db2.gz BYNWNAMMHFUQNI-QWHCGFSZSA-N 1 2 329.466 1.365 20 30 EDEDLO CCCC(=O)N1CSC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000329079264 539403743 /nfs/dbraw/zinc/40/37/43/539403743.db2.gz BYNWNAMMHFUQNI-QWHCGFSZSA-N 1 2 329.466 1.365 20 30 EDEDLO Cc1ccc2c([n-]cc(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)c2=O)[nH+]1 ZINC000329411160 539434630 /nfs/dbraw/zinc/43/46/30/539434630.db2.gz BTCVNVJVDFGYHU-GFCCVEGCSA-N 1 2 329.404 1.194 20 30 EDEDLO Cc1ccc2c([n-]cc(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2=O)[nH+]1 ZINC000329411160 539434634 /nfs/dbraw/zinc/43/46/34/539434634.db2.gz BTCVNVJVDFGYHU-GFCCVEGCSA-N 1 2 329.404 1.194 20 30 EDEDLO Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCc3[nH+]ccn3C)C2)n1 ZINC000329587145 539445190 /nfs/dbraw/zinc/44/51/90/539445190.db2.gz XEWMCOIYLJWOFS-CQSZACIVSA-N 1 2 331.424 1.455 20 30 EDEDLO Cc1nc(C)n(C[C@@H]2CCCN(C([O-])=[NH+][C@H]3CC[N@@H+](C4CC4)C3)C2)n1 ZINC000329574927 539445233 /nfs/dbraw/zinc/44/52/33/539445233.db2.gz RWFRAIZCBQAVPR-CVEARBPZSA-N 1 2 346.479 1.758 20 30 EDEDLO Cc1nc(C)n(C[C@@H]2CCCN(C([O-])=[NH+][C@H]3CC[N@H+](C4CC4)C3)C2)n1 ZINC000329574927 539445236 /nfs/dbraw/zinc/44/52/36/539445236.db2.gz RWFRAIZCBQAVPR-CVEARBPZSA-N 1 2 346.479 1.758 20 30 EDEDLO [O-]/C(=[NH+]/Cc1cn2ccsc2n1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329727271 539460203 /nfs/dbraw/zinc/46/02/03/539460203.db2.gz GUMBHFAMGGIZOK-ZDUSSCGKSA-N 1 2 335.433 1.216 20 30 EDEDLO C#CC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)Cc1ccc(F)cc1 ZINC000065958398 215001814 /nfs/dbraw/zinc/00/18/14/215001814.db2.gz OGOPYHZWQSATST-CYBMUJFWSA-N 1 2 335.379 1.122 20 30 EDEDLO C#CC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)Cc1ccc(F)cc1 ZINC000065958398 215001816 /nfs/dbraw/zinc/00/18/16/215001816.db2.gz OGOPYHZWQSATST-CYBMUJFWSA-N 1 2 335.379 1.122 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000560456256 306269288 /nfs/dbraw/zinc/26/92/88/306269288.db2.gz YQWOMSAHNQLXFX-CWRNSKLLSA-N 1 2 329.400 1.305 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000560456256 306269289 /nfs/dbraw/zinc/26/92/89/306269289.db2.gz YQWOMSAHNQLXFX-CWRNSKLLSA-N 1 2 329.400 1.305 20 30 EDEDLO Cc1cccc([C@@H](CNC(=O)c2c[nH]c(C#N)c2)[NH+]2CCOCC2)c1 ZINC000181209067 234119700 /nfs/dbraw/zinc/11/97/00/234119700.db2.gz QFJMZUFXEJWUDS-GOSISDBHSA-N 1 2 338.411 1.998 20 30 EDEDLO CN(C)C(=O)c1cccc(CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000174830709 237292346 /nfs/dbraw/zinc/29/23/46/237292346.db2.gz PNECJYYPABQJQV-UHFFFAOYSA-N 1 2 344.459 1.436 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cccc(SCC#N)c1 ZINC000176045681 237326044 /nfs/dbraw/zinc/32/60/44/237326044.db2.gz HZIHZCPYTUAUBL-CQSZACIVSA-N 1 2 332.473 1.668 20 30 EDEDLO C[C@H](NS(=O)(=O)CCCCC#N)C1([NH+]2CCOCC2)CCCC1 ZINC000355787082 299326364 /nfs/dbraw/zinc/32/63/64/299326364.db2.gz CVPUTSSLEWMIMC-HNNXBMFYSA-N 1 2 343.493 1.633 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000281815566 249507136 /nfs/dbraw/zinc/50/71/36/249507136.db2.gz SLKDMCDKSQGXAK-MCIONIFRSA-N 1 2 325.438 1.102 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000343165472 250010530 /nfs/dbraw/zinc/01/05/30/250010530.db2.gz QBVABJABSMWESI-UHFFFAOYSA-N 1 2 342.374 1.828 20 30 EDEDLO N#CCCCCNC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000343144507 250011129 /nfs/dbraw/zinc/01/11/29/250011129.db2.gz ZYGNGNDRMRJRCV-UHFFFAOYSA-N 1 2 325.372 1.299 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000341978666 250005212 /nfs/dbraw/zinc/00/52/12/250005212.db2.gz AQSLXRRVRNGNCF-UHFFFAOYSA-N 1 2 346.387 1.810 20 30 EDEDLO C=CCN(C)C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000346851604 250046921 /nfs/dbraw/zinc/04/69/21/250046921.db2.gz IMMCKFSMZLBOPF-CZUORRHYSA-N 1 2 331.420 1.442 20 30 EDEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000358371890 250131723 /nfs/dbraw/zinc/13/17/23/250131723.db2.gz VNHZNVYAODVURW-OAHLLOKOSA-N 1 2 348.491 1.956 20 30 EDEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000358371890 250131730 /nfs/dbraw/zinc/13/17/30/250131730.db2.gz VNHZNVYAODVURW-OAHLLOKOSA-N 1 2 348.491 1.956 20 30 EDEDLO C=C[C@H](CO)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000358485030 250136962 /nfs/dbraw/zinc/13/69/62/250136962.db2.gz ZTAALFRXJVVGEP-IAGOWNOFSA-N 1 2 333.432 1.214 20 30 EDEDLO C=CCOC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(=O)OC ZINC000360755957 250164482 /nfs/dbraw/zinc/16/44/82/250164482.db2.gz SBVBCHPMTYVBPF-MRXNPFEDSA-N 1 2 343.383 1.405 20 30 EDEDLO C=CCCCN(C)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000361115767 250170352 /nfs/dbraw/zinc/17/03/52/250170352.db2.gz NVGFBWFIEATOQQ-AWEZNQCLSA-N 1 2 333.436 1.519 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2occc2C(C)C)CC1 ZINC000368552839 250200623 /nfs/dbraw/zinc/20/06/23/250200623.db2.gz LQWGDNQQMCMWJI-UHFFFAOYSA-N 1 2 331.416 1.300 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2occc2C(C)C)CC1 ZINC000368552839 250200626 /nfs/dbraw/zinc/20/06/26/250200626.db2.gz LQWGDNQQMCMWJI-UHFFFAOYSA-N 1 2 331.416 1.300 20 30 EDEDLO COc1ncccc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000373279581 250236109 /nfs/dbraw/zinc/23/61/09/250236109.db2.gz TVUFZIFTDKMISA-KUHUBIRLSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1ncccc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000373279581 250236113 /nfs/dbraw/zinc/23/61/13/250236113.db2.gz TVUFZIFTDKMISA-KUHUBIRLSA-N 1 2 334.379 1.936 20 30 EDEDLO C#CCCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000377316324 250289438 /nfs/dbraw/zinc/28/94/38/250289438.db2.gz XRQMDEZBMAIZKQ-CYBMUJFWSA-N 1 2 342.411 1.872 20 30 EDEDLO C#CCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000377316324 250289442 /nfs/dbraw/zinc/28/94/42/250289442.db2.gz XRQMDEZBMAIZKQ-CYBMUJFWSA-N 1 2 342.411 1.872 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)CCC(C)(C)C#N)C[C@H]1[NH+]1CCOCC1 ZINC000377839440 250294361 /nfs/dbraw/zinc/29/43/61/250294361.db2.gz JCCRNIUOOFLAIS-LSDHHAIUSA-N 1 2 343.493 1.299 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000410481708 250323057 /nfs/dbraw/zinc/32/30/57/250323057.db2.gz GKTYWOLTCFQZHJ-MRXNPFEDSA-N 1 2 337.464 1.124 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000410890366 250396768 /nfs/dbraw/zinc/39/67/68/250396768.db2.gz QACVRJWTGZSRGM-INIZCTEOSA-N 1 2 339.480 1.370 20 30 EDEDLO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3ccc(C#N)o3)C2)cc1 ZINC000154597238 533041961 /nfs/dbraw/zinc/04/19/61/533041961.db2.gz VKOOGLAECUCHQS-UHFFFAOYSA-N 1 2 347.396 1.323 20 30 EDEDLO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000263659857 139350619 /nfs/dbraw/zinc/35/06/19/139350619.db2.gz DGMPQISMZPSQOM-KRWDZBQOSA-N 1 2 342.443 1.555 20 30 EDEDLO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000263659857 139350620 /nfs/dbraw/zinc/35/06/20/139350620.db2.gz DGMPQISMZPSQOM-KRWDZBQOSA-N 1 2 342.443 1.555 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000177640740 533173406 /nfs/dbraw/zinc/17/34/06/533173406.db2.gz PUAPRTHVVCHHKR-ZDUSSCGKSA-N 1 2 336.386 1.847 20 30 EDEDLO C#CC[N@@H+](CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000490740830 255104095 /nfs/dbraw/zinc/10/40/95/255104095.db2.gz RHJHHVFMXPJSEG-JTQLQIEISA-N 1 2 331.331 1.026 20 30 EDEDLO C#CC[N@H+](CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000490740830 255104097 /nfs/dbraw/zinc/10/40/97/255104097.db2.gz RHJHHVFMXPJSEG-JTQLQIEISA-N 1 2 331.331 1.026 20 30 EDEDLO C#C[C@H](CCC)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000491675568 255139108 /nfs/dbraw/zinc/13/91/08/255139108.db2.gz ZKQCARXGRDUHIW-ZBFHGGJFSA-N 1 2 325.478 1.295 20 30 EDEDLO CC1CCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CC(=O)NCC#N)CC1 ZINC000495617619 255310315 /nfs/dbraw/zinc/31/03/15/255310315.db2.gz QTSNJDGAEAXHOG-HNNXBMFYSA-N 1 2 336.436 1.349 20 30 EDEDLO CC1CCN(C(=O)OC[C@@H]2CCCC[N@H+]2CC(=O)NCC#N)CC1 ZINC000495617619 255310316 /nfs/dbraw/zinc/31/03/16/255310316.db2.gz QTSNJDGAEAXHOG-HNNXBMFYSA-N 1 2 336.436 1.349 20 30 EDEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000495709139 255318950 /nfs/dbraw/zinc/31/89/50/255318950.db2.gz ZBMGYNJZBALQNS-AWEZNQCLSA-N 1 2 336.436 1.492 20 30 EDEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000495709139 255318951 /nfs/dbraw/zinc/31/89/51/255318951.db2.gz ZBMGYNJZBALQNS-AWEZNQCLSA-N 1 2 336.436 1.492 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)O[C@@]2(CCc3ccccc32)C1=O ZINC000496075000 255349559 /nfs/dbraw/zinc/34/95/59/255349559.db2.gz FFXUUTUJFIJWSZ-KBXCAEBGSA-N 1 2 343.383 1.013 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)O[C@@]2(CCc3ccccc32)C1=O ZINC000496075000 255349560 /nfs/dbraw/zinc/34/95/60/255349560.db2.gz FFXUUTUJFIJWSZ-KBXCAEBGSA-N 1 2 343.383 1.013 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000270949235 140205966 /nfs/dbraw/zinc/20/59/66/140205966.db2.gz SOGGYXWJGADFBB-TZMCWYRMSA-N 1 2 344.415 1.792 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CCCC3=O)C2)c(C#N)c1C ZINC000270949235 140205968 /nfs/dbraw/zinc/20/59/68/140205968.db2.gz SOGGYXWJGADFBB-TZMCWYRMSA-N 1 2 344.415 1.792 20 30 EDEDLO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000332271591 141153633 /nfs/dbraw/zinc/15/36/33/141153633.db2.gz FHDXJJHNHZPEIG-UHFFFAOYSA-N 1 2 325.372 1.396 20 30 EDEDLO COc1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1C#N ZINC000333566925 141337995 /nfs/dbraw/zinc/33/79/95/141337995.db2.gz PABGAGILGQWDLY-KRWDZBQOSA-N 1 2 334.441 1.968 20 30 EDEDLO COc1ccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1C#N ZINC000333566925 141337996 /nfs/dbraw/zinc/33/79/96/141337996.db2.gz PABGAGILGQWDLY-KRWDZBQOSA-N 1 2 334.441 1.968 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)o1 ZINC000340188508 142296702 /nfs/dbraw/zinc/29/67/02/142296702.db2.gz KLCQECMXCFNOOC-INIZCTEOSA-N 1 2 339.395 1.825 20 30 EDEDLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1O ZINC000340217618 142308359 /nfs/dbraw/zinc/30/83/59/142308359.db2.gz IPCQZLQCFDVARR-DLBZAZTESA-N 1 2 345.443 1.377 20 30 EDEDLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC000340217618 142308361 /nfs/dbraw/zinc/30/83/61/142308361.db2.gz IPCQZLQCFDVARR-DLBZAZTESA-N 1 2 345.443 1.377 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CCO1 ZINC000347588645 143338076 /nfs/dbraw/zinc/33/80/76/143338076.db2.gz ANDSGFTZONHLRD-ZBFHGGJFSA-N 1 2 331.416 1.553 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CCO1 ZINC000347588645 143338077 /nfs/dbraw/zinc/33/80/77/143338077.db2.gz ANDSGFTZONHLRD-ZBFHGGJFSA-N 1 2 331.416 1.553 20 30 EDEDLO N#Cc1cccc(N2CCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)n1 ZINC000354913981 150029094 /nfs/dbraw/zinc/02/90/94/150029094.db2.gz HFTQOENRZAJKBH-UHFFFAOYSA-N 1 2 346.394 1.492 20 30 EDEDLO Cc1[nH]nc2ncc(C[N@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)cc12 ZINC000354993976 150069505 /nfs/dbraw/zinc/06/95/05/150069505.db2.gz QHLNDZSCVXFSSR-LBPRGKRZSA-N 1 2 348.414 1.639 20 30 EDEDLO Cc1[nH]nc2ncc(C[N@@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)cc12 ZINC000354993976 150069510 /nfs/dbraw/zinc/06/95/10/150069510.db2.gz QHLNDZSCVXFSSR-LBPRGKRZSA-N 1 2 348.414 1.639 20 30 EDEDLO CC(C)CN(C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1)C(C)C ZINC000355123869 150127419 /nfs/dbraw/zinc/12/74/19/150127419.db2.gz JQGABQYGMQTSRD-UHFFFAOYSA-N 1 2 343.475 1.968 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000355437878 150267285 /nfs/dbraw/zinc/26/72/85/150267285.db2.gz GYZIBLQVMCBURE-YQQAZPJKSA-N 1 2 343.427 1.647 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000359925111 151862448 /nfs/dbraw/zinc/86/24/48/151862448.db2.gz QKRIHFMJHLUFKK-UHFFFAOYSA-N 1 2 342.424 1.773 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CCCN(c3ccccc3)C2=O)C(N)=O)cc1 ZINC000360070152 151899484 /nfs/dbraw/zinc/89/94/84/151899484.db2.gz SKYUTOOQRWXCQM-ZWKOTPCHSA-N 1 2 348.406 1.870 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000364669161 153299127 /nfs/dbraw/zinc/29/91/27/153299127.db2.gz ASGCEXNCHFUWOR-AWEZNQCLSA-N 1 2 338.371 1.967 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000364669161 153299129 /nfs/dbraw/zinc/29/91/29/153299129.db2.gz ASGCEXNCHFUWOR-AWEZNQCLSA-N 1 2 338.371 1.967 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000366590146 153861908 /nfs/dbraw/zinc/86/19/08/153861908.db2.gz LIOKTKGQKAKTFQ-KSSFIOAISA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000366590146 153861910 /nfs/dbraw/zinc/86/19/10/153861910.db2.gz LIOKTKGQKAKTFQ-KSSFIOAISA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCc1ccc(C#N)cc1 ZINC000367742383 154251524 /nfs/dbraw/zinc/25/15/24/154251524.db2.gz UJYAWGDNHRYEBP-QAPCUYQASA-N 1 2 327.428 1.812 20 30 EDEDLO C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1c1ccc(F)cc1C#N ZINC000374153215 157167593 /nfs/dbraw/zinc/16/75/93/157167593.db2.gz GHTWDBWRYZHLAX-PBHICJAKSA-N 1 2 332.423 1.538 20 30 EDEDLO C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1c1ccc(F)cc1C#N ZINC000374153215 157167595 /nfs/dbraw/zinc/16/75/95/157167595.db2.gz GHTWDBWRYZHLAX-PBHICJAKSA-N 1 2 332.423 1.538 20 30 EDEDLO C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000352261192 162080285 /nfs/dbraw/zinc/08/02/85/162080285.db2.gz LWXLRSQPWKKFME-KBPBESRZSA-N 1 2 345.418 1.954 20 30 EDEDLO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)C(=O)N1CCCCC1 ZINC000051401180 287220792 /nfs/dbraw/zinc/22/07/92/287220792.db2.gz KUIOKDWDFIKMOV-HNNXBMFYSA-N 1 2 342.443 1.507 20 30 EDEDLO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)N1CCCCC1 ZINC000051401180 287220793 /nfs/dbraw/zinc/22/07/93/287220793.db2.gz KUIOKDWDFIKMOV-HNNXBMFYSA-N 1 2 342.443 1.507 20 30 EDEDLO C=CCNC(=O)C[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122380855 222076896 /nfs/dbraw/zinc/07/68/96/222076896.db2.gz BPBIXOTUQVNMAZ-UHFFFAOYSA-N 1 2 328.315 1.751 20 30 EDEDLO C=CCNC(=O)C[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122380855 222076899 /nfs/dbraw/zinc/07/68/99/222076899.db2.gz BPBIXOTUQVNMAZ-UHFFFAOYSA-N 1 2 328.315 1.751 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccncc3Cl)CC2)c1C#N ZINC000530519455 269927703 /nfs/dbraw/zinc/92/77/03/269927703.db2.gz ABCTVJGRHXZAGQ-UHFFFAOYSA-N 1 2 330.823 1.971 20 30 EDEDLO CCN1CCN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000431660322 270013081 /nfs/dbraw/zinc/01/30/81/270013081.db2.gz IRUCOMALZNFXJT-CQSZACIVSA-N 1 2 345.428 1.349 20 30 EDEDLO N#Cc1ccc(/C=C2\SC(=S)N(CC[NH+]3CCOCC3)C2=O)o1 ZINC000266589516 270008993 /nfs/dbraw/zinc/00/89/93/270008993.db2.gz NUGXLEHVFNHKFL-LCYFTJDESA-N 1 2 349.437 1.685 20 30 EDEDLO N#Cc1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)nn1 ZINC000301855071 270011488 /nfs/dbraw/zinc/01/14/88/270011488.db2.gz YOFOKQSRWAHXGP-UHFFFAOYSA-N 1 2 339.399 1.671 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000524418700 270015318 /nfs/dbraw/zinc/01/53/18/270015318.db2.gz YBXGRWVXEAQDAS-UHFFFAOYSA-N 1 2 325.372 1.488 20 30 EDEDLO CCCC[N@H+](C)c1ccc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 ZINC000301206578 266030470 /nfs/dbraw/zinc/03/04/70/266030470.db2.gz SWHZNFHSWHKAFS-UHFFFAOYSA-N 1 2 341.415 1.936 20 30 EDEDLO CCCC[N@@H+](C)c1ccc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 ZINC000301206578 266030478 /nfs/dbraw/zinc/03/04/78/266030478.db2.gz SWHZNFHSWHKAFS-UHFFFAOYSA-N 1 2 341.415 1.936 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000330594401 266160203 /nfs/dbraw/zinc/16/02/03/266160203.db2.gz WVYXCNBLNIKILI-GJZGRUSLSA-N 1 2 335.473 1.746 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000330594401 266160205 /nfs/dbraw/zinc/16/02/05/266160205.db2.gz WVYXCNBLNIKILI-GJZGRUSLSA-N 1 2 335.473 1.746 20 30 EDEDLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000289508370 266339765 /nfs/dbraw/zinc/33/97/65/266339765.db2.gz UJDYITWYYITORD-UHFFFAOYSA-N 1 2 325.409 1.601 20 30 EDEDLO CC[C@@H](C)NC(=O)CN1CCN(c2cc(C)[nH+]c(C)c2C#N)CC1 ZINC000301663231 266359520 /nfs/dbraw/zinc/35/95/20/266359520.db2.gz KLCNYQSOOUWZNB-CYBMUJFWSA-N 1 2 329.448 1.607 20 30 EDEDLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299033553 267127218 /nfs/dbraw/zinc/12/72/18/267127218.db2.gz IDYNWXZLDSLTEA-MRXNPFEDSA-N 1 2 341.459 1.866 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)Nc1ncc(Br)cc1C#N ZINC000297274027 267156833 /nfs/dbraw/zinc/15/68/33/267156833.db2.gz WZBVXUKHXBGHKQ-LLVKDONJSA-N 1 2 338.253 1.764 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000280539725 267229588 /nfs/dbraw/zinc/22/95/88/267229588.db2.gz PQDROTREDMGURY-KBXCAEBGSA-N 1 2 329.400 1.054 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000280539725 267229589 /nfs/dbraw/zinc/22/95/89/267229589.db2.gz PQDROTREDMGURY-KBXCAEBGSA-N 1 2 329.400 1.054 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1C#N ZINC000489231293 268083234 /nfs/dbraw/zinc/08/32/34/268083234.db2.gz BTJWJVUHXSBZJO-UHFFFAOYSA-N 1 2 342.424 1.902 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](C)Cc3ccccc32)cc1C#N ZINC000489231293 268083235 /nfs/dbraw/zinc/08/32/35/268083235.db2.gz BTJWJVUHXSBZJO-UHFFFAOYSA-N 1 2 342.424 1.902 20 30 EDEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(N)nc(N)n3)CC2)c(F)c1 ZINC000285496877 268167072 /nfs/dbraw/zinc/16/70/72/268167072.db2.gz MVFMIJYNJBCJBP-UHFFFAOYSA-N 1 2 343.366 1.090 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC3(CCC3)[C@H]2C2CC2)nc1 ZINC000290796169 268187903 /nfs/dbraw/zinc/18/79/03/268187903.db2.gz OYRCTFNYHXQRQY-MRXNPFEDSA-N 1 2 331.441 1.991 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC3(CCC3)[C@H]2C2CC2)nc1 ZINC000290796169 268187905 /nfs/dbraw/zinc/18/79/05/268187905.db2.gz OYRCTFNYHXQRQY-MRXNPFEDSA-N 1 2 331.441 1.991 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000528559655 268296315 /nfs/dbraw/zinc/29/63/15/268296315.db2.gz BKKUNOILTROLKQ-KRWDZBQOSA-N 1 2 340.379 1.898 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCOc2ccc(O)cc2C1 ZINC000528559655 268296317 /nfs/dbraw/zinc/29/63/17/268296317.db2.gz BKKUNOILTROLKQ-KRWDZBQOSA-N 1 2 340.379 1.898 20 30 EDEDLO N#Cc1nc(NCc2ccc(C[NH+]3CCOCC3)o2)ccc1[N+](=O)[O-] ZINC000302864228 268324822 /nfs/dbraw/zinc/32/48/22/268324822.db2.gz XJGVOZTZOJIFQO-UHFFFAOYSA-N 1 2 343.343 1.899 20 30 EDEDLO CC(C)(C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cc(F)cc(C#N)c1 ZINC000367592364 277123253 /nfs/dbraw/zinc/12/32/53/277123253.db2.gz CIAIIFMSTKOVBM-KRWDZBQOSA-N 1 2 345.418 1.908 20 30 EDEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360284029 277130371 /nfs/dbraw/zinc/13/03/71/277130371.db2.gz DHRLWVFWCGXLER-CVEARBPZSA-N 1 2 342.443 1.711 20 30 EDEDLO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000360284029 277130372 /nfs/dbraw/zinc/13/03/72/277130372.db2.gz DHRLWVFWCGXLER-CVEARBPZSA-N 1 2 342.443 1.711 20 30 EDEDLO CC(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCO1 ZINC000329104534 280029351 /nfs/dbraw/zinc/02/93/51/280029351.db2.gz CQLTVKYYYMABRS-IKGGRYGDSA-N 1 2 339.480 1.901 20 30 EDEDLO CC(=O)Nc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(C#N)CC3)C2=O)c1 ZINC000448557508 447330205 /nfs/dbraw/zinc/33/02/05/447330205.db2.gz UZPZBQLYRFMSGR-MRXNPFEDSA-N 1 2 340.383 1.512 20 30 EDEDLO CC(=O)Nc1cccc(N2C(=O)C[C@H]([NH+]3CCC(C#N)CC3)C2=O)c1 ZINC000448557507 447330140 /nfs/dbraw/zinc/33/01/40/447330140.db2.gz UZPZBQLYRFMSGR-INIZCTEOSA-N 1 2 340.383 1.512 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C\c3ccc(OCC#N)cc3)C[C@H]21 ZINC000493657474 447359303 /nfs/dbraw/zinc/35/93/03/447359303.db2.gz SPHTVAOBMQNTPG-SJJKRXNQSA-N 1 2 341.411 1.534 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C\c3ccc(OCC#N)cc3)C[C@H]21 ZINC000493657474 447359310 /nfs/dbraw/zinc/35/93/10/447359310.db2.gz SPHTVAOBMQNTPG-SJJKRXNQSA-N 1 2 341.411 1.534 20 30 EDEDLO CC(=O)N1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC12CCCCC2 ZINC000378339535 447418383 /nfs/dbraw/zinc/41/83/83/447418383.db2.gz OGSGXNBFNKNIFO-GOSISDBHSA-N 1 2 348.491 1.908 20 30 EDEDLO CC(=O)N1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC12CCCCC2 ZINC000378339535 447418386 /nfs/dbraw/zinc/41/83/86/447418386.db2.gz OGSGXNBFNKNIFO-GOSISDBHSA-N 1 2 348.491 1.908 20 30 EDEDLO C=CCOc1cccc(C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c1 ZINC000378370349 447422034 /nfs/dbraw/zinc/42/20/34/447422034.db2.gz LCQVXHHXZRGRAA-MRXNPFEDSA-N 1 2 329.400 1.720 20 30 EDEDLO C=CCOc1cccc(C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c1 ZINC000378370349 447422038 /nfs/dbraw/zinc/42/20/38/447422038.db2.gz LCQVXHHXZRGRAA-MRXNPFEDSA-N 1 2 329.400 1.720 20 30 EDEDLO C#CC[N@@H+](CCC(=O)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000104092860 441188949 /nfs/dbraw/zinc/18/89/49/441188949.db2.gz IAAQWQXXEFPTQB-INIZCTEOSA-N 1 2 346.452 1.088 20 30 EDEDLO C#CC[N@H+](CCC(=O)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000104092860 441188951 /nfs/dbraw/zinc/18/89/51/441188951.db2.gz IAAQWQXXEFPTQB-INIZCTEOSA-N 1 2 346.452 1.088 20 30 EDEDLO C[N@@H+](CC(=O)Nc1ccccc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000047592836 441206177 /nfs/dbraw/zinc/20/61/77/441206177.db2.gz ZOKJFMLBSUSCCA-QGZVFWFLSA-N 1 2 339.395 1.868 20 30 EDEDLO C[N@H+](CC(=O)Nc1ccccc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000047592836 441206181 /nfs/dbraw/zinc/20/61/81/441206181.db2.gz ZOKJFMLBSUSCCA-QGZVFWFLSA-N 1 2 339.395 1.868 20 30 EDEDLO C[N@@H+](CC(=O)Nc1ccccc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000047592835 441206473 /nfs/dbraw/zinc/20/64/73/441206473.db2.gz ZOKJFMLBSUSCCA-KRWDZBQOSA-N 1 2 339.395 1.868 20 30 EDEDLO C[N@H+](CC(=O)Nc1ccccc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000047592835 441206476 /nfs/dbraw/zinc/20/64/76/441206476.db2.gz ZOKJFMLBSUSCCA-KRWDZBQOSA-N 1 2 339.395 1.868 20 30 EDEDLO C=CC[N@@H+](CC(=O)N(C)Cc1cnn(C)c1)Cc1cccc(C#N)c1 ZINC000063299892 441323908 /nfs/dbraw/zinc/32/39/08/441323908.db2.gz SMSLJZBPXZFZRX-UHFFFAOYSA-N 1 2 337.427 1.938 20 30 EDEDLO C=CC[N@H+](CC(=O)N(C)Cc1cnn(C)c1)Cc1cccc(C#N)c1 ZINC000063299892 441323910 /nfs/dbraw/zinc/32/39/10/441323910.db2.gz SMSLJZBPXZFZRX-UHFFFAOYSA-N 1 2 337.427 1.938 20 30 EDEDLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000073651528 441338536 /nfs/dbraw/zinc/33/85/36/441338536.db2.gz MZCIPLJGACJLBY-UHFFFAOYSA-N 1 2 330.432 1.363 20 30 EDEDLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000073651528 441338541 /nfs/dbraw/zinc/33/85/41/441338541.db2.gz MZCIPLJGACJLBY-UHFFFAOYSA-N 1 2 330.432 1.363 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)CC1 ZINC000081668145 441300927 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CCc1nsc(N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)n1 ZINC000268645829 443063355 /nfs/dbraw/zinc/06/33/55/443063355.db2.gz UIOCFDOCVJUUFC-HNNXBMFYSA-N 1 2 343.456 1.828 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC000245535379 443234693 /nfs/dbraw/zinc/23/46/93/443234693.db2.gz IBQZMCBQQYDIGP-IYARVYRRSA-N 1 2 347.503 1.733 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC000245535379 443234697 /nfs/dbraw/zinc/23/46/97/443234697.db2.gz IBQZMCBQQYDIGP-IYARVYRRSA-N 1 2 347.503 1.733 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCN1CC(F)F ZINC000245711670 443245851 /nfs/dbraw/zinc/24/58/51/443245851.db2.gz FJCPVXYPZOUKFI-XJKSGUPXSA-N 1 2 328.407 1.456 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CCN1CC(F)F ZINC000245711670 443245856 /nfs/dbraw/zinc/24/58/56/443245856.db2.gz FJCPVXYPZOUKFI-XJKSGUPXSA-N 1 2 328.407 1.456 20 30 EDEDLO CCCC[N@H+](CCO)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264227577 443255830 /nfs/dbraw/zinc/25/58/30/443255830.db2.gz QQMQSHWSJDHQPA-CQSZACIVSA-N 1 2 342.399 1.606 20 30 EDEDLO CCCC[N@@H+](CCO)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000264227577 443255835 /nfs/dbraw/zinc/25/58/35/443255835.db2.gz QQMQSHWSJDHQPA-CQSZACIVSA-N 1 2 342.399 1.606 20 30 EDEDLO Cc1nc(CC(N)=[NH+]OCc2nnnn2CC(F)(F)F)cs1 ZINC000191480975 443300796 /nfs/dbraw/zinc/30/07/96/443300796.db2.gz CPMQADUFLQZNMT-UHFFFAOYSA-N 1 2 335.315 1.032 20 30 EDEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cccc(C#N)n3)CC2)n1 ZINC000267366366 443432223 /nfs/dbraw/zinc/43/22/23/443432223.db2.gz JCFDHAUCDBLHRF-CYBMUJFWSA-N 1 2 342.403 1.756 20 30 EDEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cccc(C#N)n3)CC2)n1 ZINC000267366366 443432227 /nfs/dbraw/zinc/43/22/27/443432227.db2.gz JCFDHAUCDBLHRF-CYBMUJFWSA-N 1 2 342.403 1.756 20 30 EDEDLO N#CCOc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000270625905 443477545 /nfs/dbraw/zinc/47/75/45/443477545.db2.gz IAHJKFMICZRMNY-MRXNPFEDSA-N 1 2 344.415 1.917 20 30 EDEDLO CC#CC(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000278983417 443481318 /nfs/dbraw/zinc/48/13/18/443481318.db2.gz YSYYPNMTAUYCPD-UHFFFAOYSA-N 1 2 344.440 1.898 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000272835917 443461739 /nfs/dbraw/zinc/46/17/39/443461739.db2.gz KYMSJDMBFMFJQM-KBPBESRZSA-N 1 2 340.449 1.076 20 30 EDEDLO C#CCC[NH+]1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000272055503 443524038 /nfs/dbraw/zinc/52/40/38/443524038.db2.gz VMRUAJVWLPSACU-UHFFFAOYSA-N 1 2 342.411 1.824 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)C1 ZINC000275589358 443632263 /nfs/dbraw/zinc/63/22/63/443632263.db2.gz GCEHQUOVZGLCRZ-KRWDZBQOSA-N 1 2 335.411 1.889 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)C1 ZINC000275589358 443632268 /nfs/dbraw/zinc/63/22/68/443632268.db2.gz GCEHQUOVZGLCRZ-KRWDZBQOSA-N 1 2 335.411 1.889 20 30 EDEDLO NC(CCO)=[NH+]O[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000275580242 443632425 /nfs/dbraw/zinc/63/24/25/443632425.db2.gz ZDSPLISVCSWIAA-LBPRGKRZSA-N 1 2 343.330 1.455 20 30 EDEDLO C#CCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000274122651 443596066 /nfs/dbraw/zinc/59/60/66/443596066.db2.gz NIXKSLKRQLBYGM-GOSISDBHSA-N 1 2 327.428 1.695 20 30 EDEDLO C#CCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000274122651 443596070 /nfs/dbraw/zinc/59/60/70/443596070.db2.gz NIXKSLKRQLBYGM-GOSISDBHSA-N 1 2 327.428 1.695 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 ZINC000274720430 443610131 /nfs/dbraw/zinc/61/01/31/443610131.db2.gz OEKDMLTXRWWSPK-UHFFFAOYSA-N 1 2 337.401 1.024 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)COc2ccccc2C#N)CCO1 ZINC000276232804 443672971 /nfs/dbraw/zinc/67/29/71/443672971.db2.gz KDJVSRNPTJZJIC-YOEHRIQHSA-N 1 2 340.383 1.707 20 30 EDEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 ZINC000286561422 443716501 /nfs/dbraw/zinc/71/65/01/443716501.db2.gz PXIZOEPPRRSJST-UHFFFAOYSA-N 1 2 345.424 1.966 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)CSc3ccc(C#N)cc3)C[C@H]21 ZINC000283828481 443734024 /nfs/dbraw/zinc/73/40/24/443734024.db2.gz AJOIOEAZAFNUBV-CVEARBPZSA-N 1 2 331.441 1.582 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)CSc3ccc(C#N)cc3)C[C@H]21 ZINC000283828481 443734028 /nfs/dbraw/zinc/73/40/28/443734028.db2.gz AJOIOEAZAFNUBV-CVEARBPZSA-N 1 2 331.441 1.582 20 30 EDEDLO C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1=O ZINC000280988906 443790565 /nfs/dbraw/zinc/79/05/65/443790565.db2.gz AGURDCSMGAMVQB-QGZVFWFLSA-N 1 2 338.411 1.790 20 30 EDEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292364503 443791792 /nfs/dbraw/zinc/79/17/92/443791792.db2.gz YDXVRPDGCHUZJY-JQWIXIFHSA-N 1 2 342.321 1.473 20 30 EDEDLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292364503 443791796 /nfs/dbraw/zinc/79/17/96/443791796.db2.gz YDXVRPDGCHUZJY-JQWIXIFHSA-N 1 2 342.321 1.473 20 30 EDEDLO Cc1sc(NC(=O)CN2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(C#N)c1C ZINC000284962777 443800479 /nfs/dbraw/zinc/80/04/79/443800479.db2.gz XINPLLIOUZBDDV-CABCVRRESA-N 1 2 348.472 1.580 20 30 EDEDLO Cc1sc(NC(=O)CN2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c(C#N)c1C ZINC000284962777 443800480 /nfs/dbraw/zinc/80/04/80/443800480.db2.gz XINPLLIOUZBDDV-CABCVRRESA-N 1 2 348.472 1.580 20 30 EDEDLO C#CCN(Cc1ccccc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000287868256 443759334 /nfs/dbraw/zinc/75/93/34/443759334.db2.gz YJDVTTWWWHIQFN-UHFFFAOYSA-N 1 2 329.444 1.942 20 30 EDEDLO C#CCN(Cc1ccccc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000287868256 443759338 /nfs/dbraw/zinc/75/93/38/443759338.db2.gz YJDVTTWWWHIQFN-UHFFFAOYSA-N 1 2 329.444 1.942 20 30 EDEDLO NC(=[NH+]OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000284623732 443782433 /nfs/dbraw/zinc/78/24/33/443782433.db2.gz ZSVOUMSPZAJRCH-LLVKDONJSA-N 1 2 342.739 1.655 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(OC)cc2)C1=O ZINC000281197599 443845308 /nfs/dbraw/zinc/84/53/08/443845308.db2.gz CEIZPMBJRCSGBP-BBRMVZONSA-N 1 2 331.416 1.741 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(OC)cc2)C1=O ZINC000281197599 443845312 /nfs/dbraw/zinc/84/53/12/443845312.db2.gz CEIZPMBJRCSGBP-BBRMVZONSA-N 1 2 331.416 1.741 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@H]21 ZINC000284971497 443802949 /nfs/dbraw/zinc/80/29/49/443802949.db2.gz XSRCJFOMIJHAGO-RBSFLKMASA-N 1 2 346.456 1.130 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@H]21 ZINC000284971497 443802951 /nfs/dbraw/zinc/80/29/51/443802951.db2.gz XSRCJFOMIJHAGO-RBSFLKMASA-N 1 2 346.456 1.130 20 30 EDEDLO CN1CCO[C@@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@H]21 ZINC000284971497 443802952 /nfs/dbraw/zinc/80/29/52/443802952.db2.gz XSRCJFOMIJHAGO-RBSFLKMASA-N 1 2 346.456 1.130 20 30 EDEDLO CN1CCO[C@@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@H]21 ZINC000284971497 443802954 /nfs/dbraw/zinc/80/29/54/443802954.db2.gz XSRCJFOMIJHAGO-RBSFLKMASA-N 1 2 346.456 1.130 20 30 EDEDLO COC(=O)c1cccc(Cl)c1CO[NH+]=C(N)CN1CCOCC1 ZINC000285348337 443950686 /nfs/dbraw/zinc/95/06/86/443950686.db2.gz ZJRMBWCKVNNFNJ-UHFFFAOYSA-N 1 2 341.795 1.248 20 30 EDEDLO COc1cc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cc(OC)c1 ZINC000299136444 443964711 /nfs/dbraw/zinc/96/47/11/443964711.db2.gz PJVNJNKLIBCDGW-SFHVURJKSA-N 1 2 331.416 1.944 20 30 EDEDLO COc1cc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cc(OC)c1 ZINC000299136444 443964713 /nfs/dbraw/zinc/96/47/13/443964713.db2.gz PJVNJNKLIBCDGW-SFHVURJKSA-N 1 2 331.416 1.944 20 30 EDEDLO CCn1cc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000547738420 320841237 /nfs/dbraw/zinc/84/12/37/320841237.db2.gz DWLZHQJRHNUGNO-UHFFFAOYSA-N 1 2 337.427 1.662 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cnc3cc(OC)ccc3c2O)CC1 ZINC000299327833 444020232 /nfs/dbraw/zinc/02/02/32/444020232.db2.gz OPEKEZZVJVWZNU-UHFFFAOYSA-N 1 2 339.395 1.730 20 30 EDEDLO COCCn1nnc2c1CC[N@H+](CCOc1ccc(C#N)cc1)C2 ZINC000293625808 444073726 /nfs/dbraw/zinc/07/37/26/444073726.db2.gz QQOZUQFIWBKJID-UHFFFAOYSA-N 1 2 327.388 1.233 20 30 EDEDLO COCCn1nnc2c1CC[N@@H+](CCOc1ccc(C#N)cc1)C2 ZINC000293625808 444073730 /nfs/dbraw/zinc/07/37/30/444073730.db2.gz QQOZUQFIWBKJID-UHFFFAOYSA-N 1 2 327.388 1.233 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000285708330 444080332 /nfs/dbraw/zinc/08/03/32/444080332.db2.gz DAVLHZUTLWOIMY-CQSZACIVSA-N 1 2 332.448 1.434 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000285708330 444080336 /nfs/dbraw/zinc/08/03/36/444080336.db2.gz DAVLHZUTLWOIMY-CQSZACIVSA-N 1 2 332.448 1.434 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000278120942 444101045 /nfs/dbraw/zinc/10/10/45/444101045.db2.gz YHHWKYRDKXCRDT-AWEZNQCLSA-N 1 2 337.445 1.208 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000278120942 444101048 /nfs/dbraw/zinc/10/10/48/444101048.db2.gz YHHWKYRDKXCRDT-AWEZNQCLSA-N 1 2 337.445 1.208 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@](C)(C(=O)OC)C1 ZINC000282317050 444146603 /nfs/dbraw/zinc/14/66/03/444146603.db2.gz HLIZNHGFRQZPOR-HNJNHCNJSA-N 1 2 330.384 1.903 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@](C)(C(=O)OC)C1 ZINC000282317050 444146607 /nfs/dbraw/zinc/14/66/07/444146607.db2.gz HLIZNHGFRQZPOR-HNJNHCNJSA-N 1 2 330.384 1.903 20 30 EDEDLO Cn1nncc1CO[NH+]=C(N)COc1ccc(Cl)cc1Cl ZINC000289465509 444151481 /nfs/dbraw/zinc/15/14/81/444151481.db2.gz WJIOFMXNSVDCMT-UHFFFAOYSA-N 1 2 330.175 1.990 20 30 EDEDLO Cc1cc(N2CC(O)(CC#N)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302455688 444214216 /nfs/dbraw/zinc/21/42/16/444214216.db2.gz QJGMBOWVAQTCCN-UHFFFAOYSA-N 1 2 325.328 1.825 20 30 EDEDLO CCOC(=O)C1([S@](C)=O)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000295668361 444191297 /nfs/dbraw/zinc/19/12/97/444191297.db2.gz RDCTWWOHKAVFAY-QHCPKHFHSA-N 1 2 333.453 1.814 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=C)C)CC1 ZINC000295952586 444195911 /nfs/dbraw/zinc/19/59/11/444195911.db2.gz KCVXWCFKXGGVIB-INIZCTEOSA-N 1 2 329.448 1.851 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000305109401 444258648 /nfs/dbraw/zinc/25/86/48/444258648.db2.gz CKERMQDEUCGBAP-KGLIPLIRSA-N 1 2 341.333 1.720 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000308687613 444289415 /nfs/dbraw/zinc/28/94/15/444289415.db2.gz FHWCZKCDEULVSN-UHFFFAOYSA-N 1 2 341.408 1.086 20 30 EDEDLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000331002885 444354912 /nfs/dbraw/zinc/35/49/12/444354912.db2.gz RHASNWCZBLRBHT-NSHDSACASA-N 1 2 341.456 1.135 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000337715508 444369782 /nfs/dbraw/zinc/36/97/82/444369782.db2.gz QVYOLEGENYXWNN-LBPRGKRZSA-N 1 2 327.425 1.440 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000337715508 444369785 /nfs/dbraw/zinc/36/97/85/444369785.db2.gz QVYOLEGENYXWNN-LBPRGKRZSA-N 1 2 327.425 1.440 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340222746 444371993 /nfs/dbraw/zinc/37/19/93/444371993.db2.gz OBDAHDWRTNIRQX-TZMCWYRMSA-N 1 2 346.456 1.697 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340222746 444371997 /nfs/dbraw/zinc/37/19/97/444371997.db2.gz OBDAHDWRTNIRQX-TZMCWYRMSA-N 1 2 346.456 1.697 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C(C)(C)N2CCOCC2)CCO1 ZINC000328662591 444419437 /nfs/dbraw/zinc/41/94/37/444419437.db2.gz AUVQKCZBUXNEGY-HIFRSBDPSA-N 1 2 336.436 1.708 20 30 EDEDLO C=CCCCCNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000340513435 444421239 /nfs/dbraw/zinc/42/12/39/444421239.db2.gz XTIDADLSDWFTOH-UHFFFAOYSA-N 1 2 330.432 1.639 20 30 EDEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1cccc2nsnc21 ZINC000328861257 444378263 /nfs/dbraw/zinc/37/82/63/444378263.db2.gz AOKGEDRKDWEVFH-JTQLQIEISA-N 1 2 346.372 1.356 20 30 EDEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1cccc2nsnc21 ZINC000328861257 444378268 /nfs/dbraw/zinc/37/82/68/444378268.db2.gz AOKGEDRKDWEVFH-JTQLQIEISA-N 1 2 346.372 1.356 20 30 EDEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328891112 444390089 /nfs/dbraw/zinc/39/00/89/444390089.db2.gz SDVDIFWWAABCKB-IMJJTQAJSA-N 1 2 337.464 1.843 20 30 EDEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328891112 444390095 /nfs/dbraw/zinc/39/00/95/444390095.db2.gz SDVDIFWWAABCKB-IMJJTQAJSA-N 1 2 337.464 1.843 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000328916673 444401166 /nfs/dbraw/zinc/40/11/66/444401166.db2.gz AOTPQPSSOFJTJK-HUUCEWRRSA-N 1 2 327.469 1.758 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCN(C)[C@H](c3nc(C4CC4)no3)C2)C1=O ZINC000328918096 444401775 /nfs/dbraw/zinc/40/17/75/444401775.db2.gz BEAGIBAINZRMJE-KGLIPLIRSA-N 1 2 331.420 1.022 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCN(C)[C@H](c3nc(C4CC4)no3)C2)C1=O ZINC000328918096 444401779 /nfs/dbraw/zinc/40/17/79/444401779.db2.gz BEAGIBAINZRMJE-KGLIPLIRSA-N 1 2 331.420 1.022 20 30 EDEDLO COC[C@@H]1C[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000331272602 444460650 /nfs/dbraw/zinc/46/06/50/444460650.db2.gz VMUYSDILOHGHRP-ZQDZILKHSA-N 1 2 341.452 1.331 20 30 EDEDLO COC[C@@H]1C[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000331272602 444460653 /nfs/dbraw/zinc/46/06/53/444460653.db2.gz VMUYSDILOHGHRP-ZQDZILKHSA-N 1 2 341.452 1.331 20 30 EDEDLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000331420736 444472061 /nfs/dbraw/zinc/47/20/61/444472061.db2.gz QHAWKOZYNLOHGG-UHFFFAOYSA-N 1 2 339.383 1.578 20 30 EDEDLO CC(C)(C)c1nc(=NC(=O)NCC(C)(C)[NH+]2CCOCC2)s[nH]1 ZINC000329128537 444479151 /nfs/dbraw/zinc/47/91/51/444479151.db2.gz VKEPPFZKNLVSFY-UHFFFAOYSA-N 1 2 341.481 1.694 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cnc2n[nH]nc2c1)C1CCOCC1 ZINC000329178378 444492994 /nfs/dbraw/zinc/49/29/94/444492994.db2.gz MIULUDJBFWZVSK-CYBMUJFWSA-N 1 2 341.375 1.559 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c(C#N)c1C ZINC000581294564 322159666 /nfs/dbraw/zinc/15/96/66/322159666.db2.gz SLQPAOHSODTUTH-GFCCVEGCSA-N 1 2 334.445 1.728 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c(C#N)c1C ZINC000581294564 322159668 /nfs/dbraw/zinc/15/96/68/322159668.db2.gz SLQPAOHSODTUTH-GFCCVEGCSA-N 1 2 334.445 1.728 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C#N)c2C)CC1 ZINC000338146244 444535136 /nfs/dbraw/zinc/53/51/36/444535136.db2.gz CPMRFDIMKFSYOE-UHFFFAOYSA-N 1 2 328.416 1.151 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(C#N)c2C)CC1 ZINC000338146244 444535137 /nfs/dbraw/zinc/53/51/37/444535137.db2.gz CPMRFDIMKFSYOE-UHFFFAOYSA-N 1 2 328.416 1.151 20 30 EDEDLO C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCO1 ZINC000329270855 444517608 /nfs/dbraw/zinc/51/76/08/444517608.db2.gz IYEZFTJWPGAPPD-ZBFHGGJFSA-N 1 2 337.464 1.702 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC3(c4ccccn4)CCC3)C[C@@H]21 ZINC000329387829 444559107 /nfs/dbraw/zinc/55/91/07/444559107.db2.gz TUWZQWKLSNNBRV-JKSUJKDBSA-N 1 2 344.459 1.822 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC3(c4ccccn4)CCC3)C[C@@H]21 ZINC000329387829 444559109 /nfs/dbraw/zinc/55/91/09/444559109.db2.gz TUWZQWKLSNNBRV-JKSUJKDBSA-N 1 2 344.459 1.822 20 30 EDEDLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000342209415 444566994 /nfs/dbraw/zinc/56/69/94/444566994.db2.gz RZXDPADYBMPLCK-WBVHZDCISA-N 1 2 341.459 1.770 20 30 EDEDLO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)NCC1(O)CCC1 ZINC000329440604 444580139 /nfs/dbraw/zinc/58/01/39/444580139.db2.gz MWUUWPVKTJWCDQ-CYBMUJFWSA-N 1 2 339.461 1.540 20 30 EDEDLO C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)c1nnc2n1CCCC2 ZINC000329333290 444538806 /nfs/dbraw/zinc/53/88/06/444538806.db2.gz NKBNGBHQGQSYFM-CYBMUJFWSA-N 1 2 333.436 1.887 20 30 EDEDLO Cc1nn(C)c(C)c1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000338183160 444552735 /nfs/dbraw/zinc/55/27/35/444552735.db2.gz YHXXHYWKESLNHQ-IFXJQAMLSA-N 1 2 335.411 1.882 20 30 EDEDLO Cc1nn(C)c(C)c1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000338183160 444552739 /nfs/dbraw/zinc/55/27/39/444552739.db2.gz YHXXHYWKESLNHQ-IFXJQAMLSA-N 1 2 335.411 1.882 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329451869 444585728 /nfs/dbraw/zinc/58/57/28/444585728.db2.gz OYXIRRSHZTZYTB-DZGCQCFKSA-N 1 2 347.415 1.451 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329451869 444585731 /nfs/dbraw/zinc/58/57/31/444585731.db2.gz OYXIRRSHZTZYTB-DZGCQCFKSA-N 1 2 347.415 1.451 20 30 EDEDLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)n1cnc(C#N)n1 ZINC000338262820 444595515 /nfs/dbraw/zinc/59/55/15/444595515.db2.gz VHCWXSDXOJBZOS-FZMZJTMJSA-N 1 2 344.806 1.537 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H]2C2CCOCC2)CCO1 ZINC000329512290 444610223 /nfs/dbraw/zinc/61/02/23/444610223.db2.gz XSESDXQPLNTANT-INIZCTEOSA-N 1 2 339.480 1.902 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@H]2C2CCOCC2)CCO1 ZINC000329512290 444610225 /nfs/dbraw/zinc/61/02/25/444610225.db2.gz XSESDXQPLNTANT-INIZCTEOSA-N 1 2 339.480 1.902 20 30 EDEDLO O=C([C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1)N1CCCC1 ZINC000329618080 444651788 /nfs/dbraw/zinc/65/17/88/444651788.db2.gz QKABVIONFSTKBB-CHWSQXEVSA-N 1 2 331.420 1.125 20 30 EDEDLO O=C([C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1)N1CCCC1 ZINC000329618080 444651792 /nfs/dbraw/zinc/65/17/92/444651792.db2.gz QKABVIONFSTKBB-CHWSQXEVSA-N 1 2 331.420 1.125 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000338355939 444652678 /nfs/dbraw/zinc/65/26/78/444652678.db2.gz HPMFZPRLVKLWLL-QGPMSJSTSA-N 1 2 349.427 1.417 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000338355939 444652680 /nfs/dbraw/zinc/65/26/80/444652680.db2.gz HPMFZPRLVKLWLL-QGPMSJSTSA-N 1 2 349.427 1.417 20 30 EDEDLO N#Cc1ccc(OCC[N@H+]2CCNC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000343905752 444660055 /nfs/dbraw/zinc/66/00/55/444660055.db2.gz KPLBNBZATABVKU-LJQANCHMSA-N 1 2 335.407 1.980 20 30 EDEDLO N#Cc1ccc(OCC[N@@H+]2CCNC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000343905752 444660058 /nfs/dbraw/zinc/66/00/58/444660058.db2.gz KPLBNBZATABVKU-LJQANCHMSA-N 1 2 335.407 1.980 20 30 EDEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc(C)c(SCC#N)s2)[N@H+](C)C1 ZINC000343969233 444701055 /nfs/dbraw/zinc/70/10/55/444701055.db2.gz XJPODWIXGZNPED-UWVGGRQHSA-N 1 2 326.447 1.725 20 30 EDEDLO CO[C@H]1C[C@@H](C(=O)Nc2nc(C)c(SCC#N)s2)[N@@H+](C)C1 ZINC000343969233 444701058 /nfs/dbraw/zinc/70/10/58/444701058.db2.gz XJPODWIXGZNPED-UWVGGRQHSA-N 1 2 326.447 1.725 20 30 EDEDLO C[C@@H]1CCCCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000329712075 444688840 /nfs/dbraw/zinc/68/88/40/444688840.db2.gz PMTCFJRIYQWPSH-MRXNPFEDSA-N 1 2 346.479 1.777 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC3(C)CCCC3)ccn2)CC1 ZINC000329851810 444740493 /nfs/dbraw/zinc/74/04/93/444740493.db2.gz RANYIKHMNVWWRL-UHFFFAOYSA-N 1 2 345.447 1.937 20 30 EDEDLO Cc1cc(=O)[nH]cc1C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000329871953 444748243 /nfs/dbraw/zinc/74/82/43/444748243.db2.gz BCLBETZJUVXPSD-GFCCVEGCSA-N 1 2 332.404 1.361 20 30 EDEDLO CCN1CCN(C(=O)NCCOC2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329954627 444784330 /nfs/dbraw/zinc/78/43/30/444784330.db2.gz KEHUOYBNYRQCLT-OAHLLOKOSA-N 1 2 335.452 1.962 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@H]21 ZINC000329922393 444770348 /nfs/dbraw/zinc/77/03/48/444770348.db2.gz GJKWKNOXIQDZOC-OLZOCXBDSA-N 1 2 336.461 1.972 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3nc4c(s3)CCCCC4)C[C@H]21 ZINC000329922393 444770350 /nfs/dbraw/zinc/77/03/50/444770350.db2.gz GJKWKNOXIQDZOC-OLZOCXBDSA-N 1 2 336.461 1.972 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)C[C@H]21 ZINC000329930124 444773611 /nfs/dbraw/zinc/77/36/11/444773611.db2.gz ODEIIXLXXHJNJX-IUODEOHRSA-N 1 2 333.388 1.754 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4c(c3)OC(C)(C)O4)C[C@H]21 ZINC000329930124 444773613 /nfs/dbraw/zinc/77/36/13/444773613.db2.gz ODEIIXLXXHJNJX-IUODEOHRSA-N 1 2 333.388 1.754 20 30 EDEDLO CCN1CCN(C(=O)NCc2nc(C)cs2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329932316 444775244 /nfs/dbraw/zinc/77/52/44/444775244.db2.gz PLAVYUYWFLXNDG-LBPRGKRZSA-N 1 2 334.449 1.967 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2C(N)=O)cc1OCCCC#N ZINC000344025867 444735723 /nfs/dbraw/zinc/73/57/23/444735723.db2.gz GNNDBYFWUFGAIH-LSDHHAIUSA-N 1 2 347.415 1.452 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@@H](OC)C[C@@H]2C(N)=O)cc1OCCCC#N ZINC000344025867 444735728 /nfs/dbraw/zinc/73/57/28/444735728.db2.gz GNNDBYFWUFGAIH-LSDHHAIUSA-N 1 2 347.415 1.452 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000329966855 444791778 /nfs/dbraw/zinc/79/17/78/444791778.db2.gz SCENQJRMOIQOAR-MJBXVCDLSA-N 1 2 338.452 1.789 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc4[nH+]ccn4c3)C2)nc1 ZINC000341428366 444824687 /nfs/dbraw/zinc/82/46/87/444824687.db2.gz FHSUMXMILPQBKE-HNNXBMFYSA-N 1 2 333.351 1.894 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCOCC1 ZINC000344192636 444832134 /nfs/dbraw/zinc/83/21/34/444832134.db2.gz WZSLZYHMTJJDJA-UHFFFAOYSA-N 1 2 348.447 1.674 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCOCC1 ZINC000344192636 444832136 /nfs/dbraw/zinc/83/21/36/444832136.db2.gz WZSLZYHMTJJDJA-UHFFFAOYSA-N 1 2 348.447 1.674 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000336926260 444856931 /nfs/dbraw/zinc/85/69/31/444856931.db2.gz XBCLQXNBEPQKJU-UHFFFAOYSA-N 1 2 341.824 1.558 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000336949061 444869560 /nfs/dbraw/zinc/86/95/60/444869560.db2.gz RFJZZRRHXZRCLD-CYBMUJFWSA-N 1 2 325.438 1.139 20 30 EDEDLO Cc1cc(C#N)nc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000341526057 444876459 /nfs/dbraw/zinc/87/64/59/444876459.db2.gz BTASBNBYIYYKOY-KBPBESRZSA-N 1 2 338.415 2.277 20 30 EDEDLO C[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000336964937 444877812 /nfs/dbraw/zinc/87/78/12/444877812.db2.gz FYXGPAXWDPWZFT-CHWSQXEVSA-N 1 2 335.371 1.774 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000341539979 444883126 /nfs/dbraw/zinc/88/31/26/444883126.db2.gz XCTPRRPDWHJQGG-JYJNAYRXSA-N 1 2 337.443 1.986 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000341539979 444883128 /nfs/dbraw/zinc/88/31/28/444883128.db2.gz XCTPRRPDWHJQGG-JYJNAYRXSA-N 1 2 337.443 1.986 20 30 EDEDLO N#C[C@]1(F)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000619156899 450419135 /nfs/dbraw/zinc/41/91/35/450419135.db2.gz NFCZTPJMUAFYKV-MRXNPFEDSA-N 1 2 334.351 1.869 20 30 EDEDLO O=c1ccc2c([nH]1)CCC[C@@H]2[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330236876 444900667 /nfs/dbraw/zinc/90/06/67/444900667.db2.gz HKQPIJWFJYYFOF-RISCZKNCSA-N 1 2 327.388 1.880 20 30 EDEDLO O=c1ccc2c([nH]1)CCC[C@@H]2NC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330236876 444900670 /nfs/dbraw/zinc/90/06/70/444900670.db2.gz HKQPIJWFJYYFOF-RISCZKNCSA-N 1 2 327.388 1.880 20 30 EDEDLO C=CC[C@H](CO)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@@H]1c1c[nH+]cn1C ZINC000337047163 444917235 /nfs/dbraw/zinc/91/72/35/444917235.db2.gz GSLTVJKDUMBYQZ-CPUCHLNUSA-N 1 2 348.447 1.163 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCCN(CC(F)F)CC1 ZINC000330276888 444919261 /nfs/dbraw/zinc/91/92/61/444919261.db2.gz NOEBVAVKNOCKIQ-LBPRGKRZSA-N 1 2 327.379 1.385 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000341707946 444961000 /nfs/dbraw/zinc/96/10/00/444961000.db2.gz SNSUJKZBOFNIKI-OAHLLOKOSA-N 1 2 328.416 1.915 20 30 EDEDLO CCN1CCN(C(=O)Nc2cc(OC)ncn2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330319727 444934700 /nfs/dbraw/zinc/93/47/00/444934700.db2.gz DLGBRDCOZXCELI-NSHDSACASA-N 1 2 331.380 1.133 20 30 EDEDLO COC(=O)[C@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1C(=O)OC ZINC000341829316 445021829 /nfs/dbraw/zinc/02/18/29/445021829.db2.gz BROOFDRYUYAOTD-IYBDPMFKSA-N 1 2 336.432 1.045 20 30 EDEDLO COC(=O)[C@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1C(=O)OC ZINC000341829316 445021832 /nfs/dbraw/zinc/02/18/32/445021832.db2.gz BROOFDRYUYAOTD-IYBDPMFKSA-N 1 2 336.432 1.045 20 30 EDEDLO COC(=O)[C@H]1CCCC[N@H+]1CC#CCN1CCCC[C@H]1C(=O)OC ZINC000341829316 445021836 /nfs/dbraw/zinc/02/18/36/445021836.db2.gz BROOFDRYUYAOTD-IYBDPMFKSA-N 1 2 336.432 1.045 20 30 EDEDLO COC(=O)[C@H]1CCCC[N@@H+]1CC#CCN1CCCC[C@H]1C(=O)OC ZINC000341829316 445021840 /nfs/dbraw/zinc/02/18/40/445021840.db2.gz BROOFDRYUYAOTD-IYBDPMFKSA-N 1 2 336.432 1.045 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCc2ccc(Cl)cc2)C1=O ZINC000337203180 444984280 /nfs/dbraw/zinc/98/42/80/444984280.db2.gz GCYDSKMEBYCNLZ-INIZCTEOSA-N 1 2 349.862 1.717 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCc2ccc(Cl)cc2)C1=O ZINC000337203180 444984285 /nfs/dbraw/zinc/98/42/85/444984285.db2.gz GCYDSKMEBYCNLZ-INIZCTEOSA-N 1 2 349.862 1.717 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000330454235 444987468 /nfs/dbraw/zinc/98/74/68/444987468.db2.gz WAPYYYFWUWNZNN-CQSZACIVSA-N 1 2 341.452 1.286 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000330454235 444987473 /nfs/dbraw/zinc/98/74/73/444987473.db2.gz WAPYYYFWUWNZNN-CQSZACIVSA-N 1 2 341.452 1.286 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCc2ccccc2OC)C1=O ZINC000337221569 444991725 /nfs/dbraw/zinc/99/17/25/444991725.db2.gz LHSCEKJLHWTJMC-GOEBONIOSA-N 1 2 345.443 1.419 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCc2ccccc2OC)C1=O ZINC000337221569 444991727 /nfs/dbraw/zinc/99/17/27/444991727.db2.gz LHSCEKJLHWTJMC-GOEBONIOSA-N 1 2 345.443 1.419 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000330596671 445053342 /nfs/dbraw/zinc/05/33/42/445053342.db2.gz YKXBOELRTPWGII-HUUCEWRRSA-N 1 2 335.473 1.746 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000330596671 445053346 /nfs/dbraw/zinc/05/33/46/445053346.db2.gz YKXBOELRTPWGII-HUUCEWRRSA-N 1 2 335.473 1.746 20 30 EDEDLO CO[C@@H]1C[C@H](c2nncn2C)[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000344530979 445038623 /nfs/dbraw/zinc/03/86/23/445038623.db2.gz YOMGPDJLLDXHCY-IAGOWNOFSA-N 1 2 341.415 1.918 20 30 EDEDLO CO[C@@H]1C[C@H](c2nncn2C)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000344530979 445038626 /nfs/dbraw/zinc/03/86/26/445038626.db2.gz YOMGPDJLLDXHCY-IAGOWNOFSA-N 1 2 341.415 1.918 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000330762150 445130317 /nfs/dbraw/zinc/13/03/17/445130317.db2.gz NWGDGGQVZKEVDA-GJZGRUSLSA-N 1 2 334.464 1.708 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000330762150 445130321 /nfs/dbraw/zinc/13/03/21/445130321.db2.gz NWGDGGQVZKEVDA-GJZGRUSLSA-N 1 2 334.464 1.708 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344734835 445137976 /nfs/dbraw/zinc/13/79/76/445137976.db2.gz XVVZIGIEVFMTGL-KGLIPLIRSA-N 1 2 336.457 1.985 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344734835 445137978 /nfs/dbraw/zinc/13/79/78/445137978.db2.gz XVVZIGIEVFMTGL-KGLIPLIRSA-N 1 2 336.457 1.985 20 30 EDEDLO C[C@H](C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)n1cnc(C#N)n1 ZINC000337566664 445140645 /nfs/dbraw/zinc/14/06/45/445140645.db2.gz BNJYRKMMDHPSIK-RISCZKNCSA-N 1 2 328.351 1.023 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000343258444 445164916 /nfs/dbraw/zinc/16/49/16/445164916.db2.gz IDFZWYPDGQBYKB-JKSUJKDBSA-N 1 2 337.464 1.028 20 30 EDEDLO C=CCN(CCOC)C(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000339737910 445165737 /nfs/dbraw/zinc/16/57/37/445165737.db2.gz YLZOOBXPWRIWLS-UHFFFAOYSA-N 1 2 344.415 1.122 20 30 EDEDLO Cc1cnc(N2CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)C)CC2)s1 ZINC000330852445 445166057 /nfs/dbraw/zinc/16/60/57/445166057.db2.gz XGEMUQVCLZKHIQ-LBPRGKRZSA-N 1 2 339.465 1.401 20 30 EDEDLO CC[NH+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000330868831 445173068 /nfs/dbraw/zinc/17/30/68/445173068.db2.gz YQTJUNDWJWHVBS-HUUCEWRRSA-N 1 2 335.473 1.746 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000339858924 445175554 /nfs/dbraw/zinc/17/55/54/445175554.db2.gz HTYGPCZQSCTOBH-AWEZNQCLSA-N 1 2 330.363 1.409 20 30 EDEDLO C=C(C)CN(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330876119 445176706 /nfs/dbraw/zinc/17/67/06/445176706.db2.gz FNXINNFPYZCPIR-UHFFFAOYSA-N 1 2 331.420 1.523 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000330887129 445182339 /nfs/dbraw/zinc/18/23/39/445182339.db2.gz FIUCNTUSMSVFKJ-GFCCVEGCSA-N 1 2 341.458 1.457 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000330887129 445182343 /nfs/dbraw/zinc/18/23/43/445182343.db2.gz FIUCNTUSMSVFKJ-GFCCVEGCSA-N 1 2 341.458 1.457 20 30 EDEDLO Cc1nc(N2CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc[nH+]1 ZINC000330818467 445153188 /nfs/dbraw/zinc/15/31/88/445153188.db2.gz NQTURNUJTKQYNY-KSSFIOAISA-N 1 2 344.463 1.350 20 30 EDEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000330821357 445154034 /nfs/dbraw/zinc/15/40/34/445154034.db2.gz UCQBLBNKGMPDAJ-LLVKDONJSA-N 1 2 340.374 1.525 20 30 EDEDLO C=CCCCCCN(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000339626407 445154137 /nfs/dbraw/zinc/15/41/37/445154137.db2.gz HLCSZWAVIXELGB-UHFFFAOYSA-N 1 2 339.480 1.418 20 30 EDEDLO CC[C@H](C#N)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000346358200 445212425 /nfs/dbraw/zinc/21/24/25/445212425.db2.gz HBQQPEQTUFBCBP-AXAPSJFSSA-N 1 2 329.404 1.281 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N1C[C@H](C#N)[C@H](c2ccccc2)C1 ZINC000346387751 445213262 /nfs/dbraw/zinc/21/32/62/445213262.db2.gz SLTRZELFQFMXCM-IRXDYDNUSA-N 1 2 342.443 1.209 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N1C[C@H](C#N)[C@H](c2ccccc2)C1 ZINC000346387751 445213263 /nfs/dbraw/zinc/21/32/63/445213263.db2.gz SLTRZELFQFMXCM-IRXDYDNUSA-N 1 2 342.443 1.209 20 30 EDEDLO CC(C)CCSCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000346540851 445217792 /nfs/dbraw/zinc/21/77/92/445217792.db2.gz XQGGJFSQXDRYNO-UHFFFAOYSA-N 1 2 327.494 1.840 20 30 EDEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000347521854 445240881 /nfs/dbraw/zinc/24/08/81/445240881.db2.gz KEHZEXNOMVBYNR-OIISXLGYSA-N 1 2 336.480 1.716 20 30 EDEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000347521854 445240883 /nfs/dbraw/zinc/24/08/83/445240883.db2.gz KEHZEXNOMVBYNR-OIISXLGYSA-N 1 2 336.480 1.716 20 30 EDEDLO COc1ccc(C)cc1NC(=O)CNC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000347697879 445245212 /nfs/dbraw/zinc/24/52/12/445245212.db2.gz ZFVGQRHUKFMODD-KGLIPLIRSA-N 1 2 344.415 1.340 20 30 EDEDLO Cc1cnc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000343680337 445299417 /nfs/dbraw/zinc/29/94/17/445299417.db2.gz FCGSNMOLWXZJQC-NSHDSACASA-N 1 2 336.442 1.843 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000348586241 445332787 /nfs/dbraw/zinc/33/27/87/445332787.db2.gz FRSXOBFRBJTWAO-UHFFFAOYSA-N 1 2 341.371 1.358 20 30 EDEDLO CN(C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1)c1ncccc1C#N ZINC000359664441 445364092 /nfs/dbraw/zinc/36/40/92/445364092.db2.gz YSCCQZQFKGNMHT-HZPDHXFCSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1)c1ncccc1C#N ZINC000359664441 445364094 /nfs/dbraw/zinc/36/40/94/445364094.db2.gz YSCCQZQFKGNMHT-HZPDHXFCSA-N 1 2 328.395 1.736 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1(C#N)CCC1 ZINC000362607779 445460659 /nfs/dbraw/zinc/46/06/59/445460659.db2.gz GDMXMXDYZWQTBV-AWEZNQCLSA-N 1 2 331.420 1.388 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1(C#N)CCC1 ZINC000362607779 445460663 /nfs/dbraw/zinc/46/06/63/445460663.db2.gz GDMXMXDYZWQTBV-AWEZNQCLSA-N 1 2 331.420 1.388 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000352412954 445527502 /nfs/dbraw/zinc/52/75/02/445527502.db2.gz KIXHXYOSMNSZJO-LLVKDONJSA-N 1 2 343.399 1.761 20 30 EDEDLO CC(C)(C#N)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000357887153 445589081 /nfs/dbraw/zinc/58/90/81/445589081.db2.gz CJHGEYDQWBMBGU-UHFFFAOYSA-N 1 2 344.415 1.123 20 30 EDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ncccn1 ZINC000352798035 445556385 /nfs/dbraw/zinc/55/63/85/445556385.db2.gz XBXBWFYEPVOPOR-CYBMUJFWSA-N 1 2 330.388 1.967 20 30 EDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ncccn1 ZINC000352798035 445556387 /nfs/dbraw/zinc/55/63/87/445556387.db2.gz XBXBWFYEPVOPOR-CYBMUJFWSA-N 1 2 330.388 1.967 20 30 EDEDLO C=CCNC(=O)C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC000353164399 445578009 /nfs/dbraw/zinc/57/80/09/445578009.db2.gz GMBMKTXEZSTECZ-GHMZBOCLSA-N 1 2 336.354 1.741 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC000353164399 445578013 /nfs/dbraw/zinc/57/80/13/445578013.db2.gz GMBMKTXEZSTECZ-GHMZBOCLSA-N 1 2 336.354 1.741 20 30 EDEDLO C=CCOc1ccccc1C[NH2+]Cc1cn([C@@H]2COC[C@H]2OC)nn1 ZINC000353215018 445580847 /nfs/dbraw/zinc/58/08/47/445580847.db2.gz VQNYJVWDEVMFIG-SJLPKXTDSA-N 1 2 344.415 1.719 20 30 EDEDLO CCC(CC)(NC(=O)C1C[NH+](CC#Cc2ccccc2)C1)C(N)=O ZINC000353224302 445581187 /nfs/dbraw/zinc/58/11/87/445581187.db2.gz CASROQZDCAJEIF-UHFFFAOYSA-N 1 2 327.428 1.130 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H](CC)C(=O)OC)CC1 ZINC000352703020 445549825 /nfs/dbraw/zinc/54/98/25/445549825.db2.gz YSCDONAGDQJZSW-HOTGVXAUSA-N 1 2 339.480 1.369 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000353436307 445601140 /nfs/dbraw/zinc/60/11/40/445601140.db2.gz XVFZSDBKJALVFD-HIFRSBDPSA-N 1 2 333.436 1.491 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000353436307 445601145 /nfs/dbraw/zinc/60/11/45/445601145.db2.gz XVFZSDBKJALVFD-HIFRSBDPSA-N 1 2 333.436 1.491 20 30 EDEDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000360229633 445642189 /nfs/dbraw/zinc/64/21/89/445642189.db2.gz DRDFVHZTBKPMPN-UHFFFAOYSA-N 1 2 336.359 1.536 20 30 EDEDLO CCOCCCNC(=O)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356057593 445595497 /nfs/dbraw/zinc/59/54/97/445595497.db2.gz NHUKAOYRVUMTGQ-UHFFFAOYSA-N 1 2 336.461 1.770 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)C(=O)NCCC(C)C)CC2)c1C#N ZINC000349853810 445700102 /nfs/dbraw/zinc/70/01/02/445700102.db2.gz NHLLMPRMXVEVCH-OAHLLOKOSA-N 1 2 346.479 1.273 20 30 EDEDLO N#Cc1ccc(-n2ccc(NC(=O)NCc3[nH]cc[nH+]3)n2)c(F)c1 ZINC000360387634 445704205 /nfs/dbraw/zinc/70/42/05/445704205.db2.gz GGICXRPTMOICQJ-UHFFFAOYSA-N 1 2 325.307 1.928 20 30 EDEDLO N#Cc1cnc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)c(Cl)c1 ZINC000358882503 445829623 /nfs/dbraw/zinc/82/96/23/445829623.db2.gz PEJUDDSZZQSEJM-UHFFFAOYSA-N 1 2 328.763 1.681 20 30 EDEDLO C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1ncc(C#N)cc1Cl ZINC000356716290 445963356 /nfs/dbraw/zinc/96/33/56/445963356.db2.gz XCVIKXJRMSBHAB-RISCZKNCSA-N 1 2 334.807 1.542 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2c(C)cc(OC)nc2C)CC1 ZINC000359225023 446055655 /nfs/dbraw/zinc/05/56/55/446055655.db2.gz LNVRGTUDMQJJFB-UHFFFAOYSA-N 1 2 332.448 1.127 20 30 EDEDLO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000583789094 326138335 /nfs/dbraw/zinc/13/83/35/326138335.db2.gz VTGCAFYGWQUBDE-IBGZPJMESA-N 1 2 349.438 1.905 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCN3C(=O)N(C)C(=O)[C@@H]3C2)cc(OC)c1O ZINC000369418870 446120340 /nfs/dbraw/zinc/12/03/40/446120340.db2.gz PQQMIIMHPUZRGB-AWEZNQCLSA-N 1 2 345.399 1.208 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCN3C(=O)N(C)C(=O)[C@@H]3C2)cc(OC)c1O ZINC000369418870 446120345 /nfs/dbraw/zinc/12/03/45/446120345.db2.gz PQQMIIMHPUZRGB-AWEZNQCLSA-N 1 2 345.399 1.208 20 30 EDEDLO C[N@H+]([C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCCNC1=O ZINC000365559838 446254900 /nfs/dbraw/zinc/25/49/00/446254900.db2.gz KJYUKEOSCKWQSB-IAGOWNOFSA-N 1 2 340.427 1.654 20 30 EDEDLO C[N@@H+]([C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCCNC1=O ZINC000365559838 446254902 /nfs/dbraw/zinc/25/49/02/446254902.db2.gz KJYUKEOSCKWQSB-IAGOWNOFSA-N 1 2 340.427 1.654 20 30 EDEDLO N#Cc1cccc(CCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000366850557 446382417 /nfs/dbraw/zinc/38/24/17/446382417.db2.gz LNZIYUVTZPQDIB-SFHVURJKSA-N 1 2 327.428 1.860 20 30 EDEDLO N#Cc1cccc(CCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000366850557 446382423 /nfs/dbraw/zinc/38/24/23/446382423.db2.gz LNZIYUVTZPQDIB-SFHVURJKSA-N 1 2 327.428 1.860 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H](CO)COC(C)C)c(C#N)c1C ZINC000433149844 446537395 /nfs/dbraw/zinc/53/73/95/446537395.db2.gz USNGLTOHFHXWRR-CYBMUJFWSA-N 1 2 339.461 1.893 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H](CO)COC(C)C)c(C#N)c1C ZINC000433149844 446537400 /nfs/dbraw/zinc/53/74/00/446537400.db2.gz USNGLTOHFHXWRR-CYBMUJFWSA-N 1 2 339.461 1.893 20 30 EDEDLO CNc1[nH+]cnc2c1cnn2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000435796877 446712177 /nfs/dbraw/zinc/71/21/77/446712177.db2.gz IYZFUXFSIDRNHL-UHFFFAOYSA-N 1 2 332.327 1.838 20 30 EDEDLO C[NH+]1CCN(C2(C(=O)NCc3cccc(C#N)c3)CCCC2)CC1 ZINC000368404279 446840979 /nfs/dbraw/zinc/84/09/79/446840979.db2.gz LAWVSNVQQQFQBP-UHFFFAOYSA-N 1 2 326.444 1.735 20 30 EDEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000368483035 446890098 /nfs/dbraw/zinc/89/00/98/446890098.db2.gz QAUFOMRTHNKMPS-HOTGVXAUSA-N 1 2 325.453 1.891 20 30 EDEDLO C=CCCn1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)nn1 ZINC000424580009 446897903 /nfs/dbraw/zinc/89/79/03/446897903.db2.gz ZVLADXNQTYXFIO-UHFFFAOYSA-N 1 2 326.404 1.779 20 30 EDEDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(C#N)CC1 ZINC000420972619 446942823 /nfs/dbraw/zinc/94/28/23/446942823.db2.gz KKMZPGOYSTYWIM-UHFFFAOYSA-N 1 2 338.389 1.109 20 30 EDEDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(C#N)CC1 ZINC000420972619 446942827 /nfs/dbraw/zinc/94/28/27/446942827.db2.gz KKMZPGOYSTYWIM-UHFFFAOYSA-N 1 2 338.389 1.109 20 30 EDEDLO Cc1cc(N2CCN(c3nccn4cnnc34)[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425245553 447077929 /nfs/dbraw/zinc/07/79/29/447077929.db2.gz WRTAIYQKYODQLG-ZDUSSCGKSA-N 1 2 334.387 1.415 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000444740710 447135153 /nfs/dbraw/zinc/13/51/53/447135153.db2.gz XJLXBVBWXLXZDC-JFIYKMOQSA-N 1 2 349.427 1.153 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000444740710 447135155 /nfs/dbraw/zinc/13/51/55/447135155.db2.gz XJLXBVBWXLXZDC-JFIYKMOQSA-N 1 2 349.427 1.153 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c(F)c1 ZINC000368908826 447196491 /nfs/dbraw/zinc/19/64/91/447196491.db2.gz DUCVJWANFUBLRX-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c(F)c1 ZINC000368908826 447196495 /nfs/dbraw/zinc/19/64/95/447196495.db2.gz DUCVJWANFUBLRX-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368964798 447231233 /nfs/dbraw/zinc/23/12/33/447231233.db2.gz HQANLXQMKDJLMI-NORZTCDRSA-N 1 2 346.818 1.736 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368964798 447231235 /nfs/dbraw/zinc/23/12/35/447231235.db2.gz HQANLXQMKDJLMI-NORZTCDRSA-N 1 2 346.818 1.736 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000369027723 447273244 /nfs/dbraw/zinc/27/32/44/447273244.db2.gz QPKPIWRJVFPZAY-OAHLLOKOSA-N 1 2 347.438 1.741 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000369027723 447273246 /nfs/dbraw/zinc/27/32/46/447273246.db2.gz QPKPIWRJVFPZAY-OAHLLOKOSA-N 1 2 347.438 1.741 20 30 EDEDLO Cc1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)n1Cc1ccccc1 ZINC000414092255 447275157 /nfs/dbraw/zinc/27/51/57/447275157.db2.gz FNFIBBMMPSZNAH-INIZCTEOSA-N 1 2 345.472 1.933 20 30 EDEDLO Cc1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)n1Cc1ccccc1 ZINC000414092255 447275162 /nfs/dbraw/zinc/27/51/62/447275162.db2.gz FNFIBBMMPSZNAH-INIZCTEOSA-N 1 2 345.472 1.933 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000416413108 447594978 /nfs/dbraw/zinc/59/49/78/447594978.db2.gz BUSNSHVZIGKNTG-CQSZACIVSA-N 1 2 329.466 1.101 20 30 EDEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450850608 447595706 /nfs/dbraw/zinc/59/57/06/447595706.db2.gz VKFBKODTRMHVSH-CQSZACIVSA-N 1 2 329.466 1.053 20 30 EDEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450850608 447595709 /nfs/dbraw/zinc/59/57/09/447595709.db2.gz VKFBKODTRMHVSH-CQSZACIVSA-N 1 2 329.466 1.053 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000416437718 447603390 /nfs/dbraw/zinc/60/33/90/447603390.db2.gz IAUMGNOSINAUDW-DDTOSNHZSA-N 1 2 327.837 1.917 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000416437718 447603395 /nfs/dbraw/zinc/60/33/95/447603395.db2.gz IAUMGNOSINAUDW-DDTOSNHZSA-N 1 2 327.837 1.917 20 30 EDEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000422524059 447614385 /nfs/dbraw/zinc/61/43/85/447614385.db2.gz DVOXQLQQKVAROD-MRXNPFEDSA-N 1 2 338.411 1.529 20 30 EDEDLO CC(C)C[C@H](CNS(=O)(=O)CC1(CC#N)CC1)[NH+]1CCOCC1 ZINC000451013977 447650634 /nfs/dbraw/zinc/65/06/34/447650634.db2.gz GXPHMJQEVZBCGJ-OAHLLOKOSA-N 1 2 343.493 1.347 20 30 EDEDLO CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)n1 ZINC000459484554 447684089 /nfs/dbraw/zinc/68/40/89/447684089.db2.gz SYFZEKHQNZCOGN-PWSUYJOCSA-N 1 2 336.417 1.469 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451272898 447720942 /nfs/dbraw/zinc/72/09/42/447720942.db2.gz WBKJMWRIOOULHT-UWWQBHOKSA-N 1 2 333.407 1.547 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451272898 447720945 /nfs/dbraw/zinc/72/09/45/447720945.db2.gz WBKJMWRIOOULHT-UWWQBHOKSA-N 1 2 333.407 1.547 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000459827379 447764788 /nfs/dbraw/zinc/76/47/88/447764788.db2.gz YFXWGNAQYNPGNJ-AWEZNQCLSA-N 1 2 333.436 1.040 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451910355 447781082 /nfs/dbraw/zinc/78/10/82/447781082.db2.gz MZZWESNPYGKXPG-QGZVFWFLSA-N 1 2 334.441 1.834 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451910355 447781087 /nfs/dbraw/zinc/78/10/87/447781087.db2.gz MZZWESNPYGKXPG-QGZVFWFLSA-N 1 2 334.441 1.834 20 30 EDEDLO Cc1noc([C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)C2CCOCC2)n1 ZINC000431639178 447810947 /nfs/dbraw/zinc/81/09/47/447810947.db2.gz KGDBBLOJKYWFJN-SMDDNHRTSA-N 1 2 335.408 1.196 20 30 EDEDLO C=C(CC)CNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497113635 447864337 /nfs/dbraw/zinc/86/43/37/447864337.db2.gz FGCBZMLLYBDZHJ-CQSZACIVSA-N 1 2 340.468 1.803 20 30 EDEDLO C=C(CC)CNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497113635 447864342 /nfs/dbraw/zinc/86/43/42/447864342.db2.gz FGCBZMLLYBDZHJ-CQSZACIVSA-N 1 2 340.468 1.803 20 30 EDEDLO C#CCN1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000490854065 447900591 /nfs/dbraw/zinc/90/05/91/447900591.db2.gz XFQLMZHONAAAPS-NRFANRHFSA-N 1 2 348.450 1.538 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(S(C)(=O)=O)ccc1CC ZINC000490900940 447907552 /nfs/dbraw/zinc/90/75/52/447907552.db2.gz YPDCYOQJZJEUIR-HNNXBMFYSA-N 1 2 349.452 1.907 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(S(C)(=O)=O)ccc1CC ZINC000490900940 447907556 /nfs/dbraw/zinc/90/75/56/447907556.db2.gz YPDCYOQJZJEUIR-HNNXBMFYSA-N 1 2 349.452 1.907 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496829133 447949621 /nfs/dbraw/zinc/94/96/21/447949621.db2.gz QSPMBAGOILEPCU-GUYCJALGSA-N 1 2 338.452 1.594 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496829133 447949624 /nfs/dbraw/zinc/94/96/24/447949624.db2.gz QSPMBAGOILEPCU-GUYCJALGSA-N 1 2 338.452 1.594 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CC(=O)c2cc(C)n(CC)c2C)CC1 ZINC000491202467 447954910 /nfs/dbraw/zinc/95/49/10/447954910.db2.gz OMBCBNKYXBRBRO-UHFFFAOYSA-N 1 2 329.444 1.769 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2coc(-c3cccs3)n2)CC1 ZINC000491126600 447932737 /nfs/dbraw/zinc/93/27/37/447932737.db2.gz QHEBZOWSRWSZCF-UHFFFAOYSA-N 1 2 344.440 1.270 20 30 EDEDLO CC1(C)C(=O)N[C@H]1C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000570341618 447990167 /nfs/dbraw/zinc/99/01/67/447990167.db2.gz LQOJXSUAYSQMQW-HOTGVXAUSA-N 1 2 340.427 1.321 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(-c3nncs3)cc2)CC1 ZINC000491351378 448002045 /nfs/dbraw/zinc/00/20/45/448002045.db2.gz SZJRLMXOWMJVFO-UHFFFAOYSA-N 1 2 342.424 1.361 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000491350654 448002285 /nfs/dbraw/zinc/00/22/85/448002285.db2.gz OZJNSFQZMXLFMD-HOCLYGCPSA-N 1 2 330.432 1.908 20 30 EDEDLO C#CC[N@@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)Cc1ccc(F)cc1 ZINC000491440087 448029329 /nfs/dbraw/zinc/02/93/29/448029329.db2.gz NNIRRIPBUUPLKF-KRWDZBQOSA-N 1 2 334.391 1.575 20 30 EDEDLO C#CC[N@H+](CC(=O)N[C@H](C(=O)OC)C(C)C)Cc1ccc(F)cc1 ZINC000491440087 448029335 /nfs/dbraw/zinc/02/93/35/448029335.db2.gz NNIRRIPBUUPLKF-KRWDZBQOSA-N 1 2 334.391 1.575 20 30 EDEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCN(C(=O)CC#N)CC1)C2 ZINC000570693725 448052947 /nfs/dbraw/zinc/05/29/47/448052947.db2.gz GLTRLEPQYALMFJ-ZDUSSCGKSA-N 1 2 343.431 1.222 20 30 EDEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)CC2 ZINC000570693725 448052956 /nfs/dbraw/zinc/05/29/56/448052956.db2.gz GLTRLEPQYALMFJ-ZDUSSCGKSA-N 1 2 343.431 1.222 20 30 EDEDLO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2noc(C3CC3)n2)cc1 ZINC000576577015 448087630 /nfs/dbraw/zinc/08/76/30/448087630.db2.gz NDLFXZYKQDLYOC-CQSZACIVSA-N 1 2 328.372 1.543 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000526057994 448089726 /nfs/dbraw/zinc/08/97/26/448089726.db2.gz TVUDFPYIESNOLI-WBVHZDCISA-N 1 2 327.428 1.881 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000526057994 448089730 /nfs/dbraw/zinc/08/97/30/448089730.db2.gz TVUDFPYIESNOLI-WBVHZDCISA-N 1 2 327.428 1.881 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000491726579 448090651 /nfs/dbraw/zinc/09/06/51/448090651.db2.gz KCGTYFYRNBPSJP-YESZJQIVSA-N 1 2 333.476 1.342 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000491726579 448090656 /nfs/dbraw/zinc/09/06/56/448090656.db2.gz KCGTYFYRNBPSJP-YESZJQIVSA-N 1 2 333.476 1.342 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000556812999 448160072 /nfs/dbraw/zinc/16/00/72/448160072.db2.gz MAAQWUQHVQKVJX-UHFFFAOYSA-N 1 2 349.394 1.357 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000556812999 448160081 /nfs/dbraw/zinc/16/00/81/448160081.db2.gz MAAQWUQHVQKVJX-UHFFFAOYSA-N 1 2 349.394 1.357 20 30 EDEDLO CCN1CCN(CC(=O)Nc2cccc(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000527068376 448152042 /nfs/dbraw/zinc/15/20/42/448152042.db2.gz XRWXTLMJSWKSLC-MRXNPFEDSA-N 1 2 338.415 1.599 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)C#CC3CC3)CC2)C1 ZINC000497071022 448174010 /nfs/dbraw/zinc/17/40/10/448174010.db2.gz KBKJCNROPZXRCH-INIZCTEOSA-N 1 2 347.459 1.553 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@H]2CCOc3ccccc32)C1=O ZINC000531956063 448175930 /nfs/dbraw/zinc/17/59/30/448175930.db2.gz RQOSNIKFXFBERP-JKSUJKDBSA-N 1 2 343.427 1.345 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@H]2CCOc3ccccc32)C1=O ZINC000531956063 448175933 /nfs/dbraw/zinc/17/59/33/448175933.db2.gz RQOSNIKFXFBERP-JKSUJKDBSA-N 1 2 343.427 1.345 20 30 EDEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000497080167 448182672 /nfs/dbraw/zinc/18/26/72/448182672.db2.gz SYJDYYWJDJCHGA-YOEHRIQHSA-N 1 2 336.436 1.395 20 30 EDEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000497080167 448182679 /nfs/dbraw/zinc/18/26/79/448182679.db2.gz SYJDYYWJDJCHGA-YOEHRIQHSA-N 1 2 336.436 1.395 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CC#N)CC1 ZINC000514696347 448187815 /nfs/dbraw/zinc/18/78/15/448187815.db2.gz HNZNPTFREAIDBY-MRXNPFEDSA-N 1 2 345.447 1.635 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CC#N)CC1 ZINC000514696347 448187823 /nfs/dbraw/zinc/18/78/23/448187823.db2.gz HNZNPTFREAIDBY-MRXNPFEDSA-N 1 2 345.447 1.635 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(NCCO)c2ccccc2[nH+]1 ZINC000559592052 448209920 /nfs/dbraw/zinc/20/99/20/448209920.db2.gz NKMFCDAJFFFNPJ-XJKSGUPXSA-N 1 2 328.416 1.271 20 30 EDEDLO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)c(F)c1F ZINC000577116382 448214088 /nfs/dbraw/zinc/21/40/88/448214088.db2.gz YSPWGTHKWTVCDR-NSHDSACASA-N 1 2 327.331 1.508 20 30 EDEDLO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c(F)c1F ZINC000577116382 448214091 /nfs/dbraw/zinc/21/40/91/448214091.db2.gz YSPWGTHKWTVCDR-NSHDSACASA-N 1 2 327.331 1.508 20 30 EDEDLO C[C@@](O)(C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1)C(F)(F)F ZINC000527385159 448222620 /nfs/dbraw/zinc/22/26/20/448222620.db2.gz DDKWFPYLPUODBQ-CYBMUJFWSA-N 1 2 333.354 1.574 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)NCC2(C#N)CC2)[C@@H]1c1c[nH+]cn1C ZINC000562436680 448253098 /nfs/dbraw/zinc/25/30/98/448253098.db2.gz PNWNCLYGQALBRI-CZUORRHYSA-N 1 2 343.431 1.530 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)C=Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000492759751 448282251 /nfs/dbraw/zinc/28/22/51/448282251.db2.gz CQVJFTJRZLHRQV-KQQSKNTNSA-N 1 2 335.367 1.606 20 30 EDEDLO CCCn1c(N)c(C(=O)C[NH+]2CCC(CCC#N)CC2)c(=O)[nH]c1=O ZINC000564915139 448347879 /nfs/dbraw/zinc/34/78/79/448347879.db2.gz COZVHVAILGYEMY-UHFFFAOYSA-N 1 2 347.419 1.140 20 30 EDEDLO CC(C)(C)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528343851 448492543 /nfs/dbraw/zinc/49/25/43/448492543.db2.gz YZUDMUBXNPWIKW-MRXNPFEDSA-N 1 2 345.443 1.488 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000566799679 448562905 /nfs/dbraw/zinc/56/29/05/448562905.db2.gz JKKILCZHJMUFND-ZDUSSCGKSA-N 1 2 330.310 1.596 20 30 EDEDLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000578585834 448583630 /nfs/dbraw/zinc/58/36/30/448583630.db2.gz XYMGDFSAMCCSIR-CABCVRRESA-N 1 2 329.448 1.769 20 30 EDEDLO N#CC1(CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000566951310 448588511 /nfs/dbraw/zinc/58/85/11/448588511.db2.gz OKVCTSBBMHYCFU-UHFFFAOYSA-N 1 2 328.416 1.696 20 30 EDEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000567219460 448639978 /nfs/dbraw/zinc/63/99/78/448639978.db2.gz BTKWGTIMHGUUPI-INIZCTEOSA-N 1 2 327.384 1.567 20 30 EDEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000567219460 448639986 /nfs/dbraw/zinc/63/99/86/448639986.db2.gz BTKWGTIMHGUUPI-INIZCTEOSA-N 1 2 327.384 1.567 20 30 EDEDLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541025058 448664494 /nfs/dbraw/zinc/66/44/94/448664494.db2.gz WQMIVKQMWZQUOY-GOSISDBHSA-N 1 2 327.428 1.929 20 30 EDEDLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541025059 448664786 /nfs/dbraw/zinc/66/47/86/448664786.db2.gz WQMIVKQMWZQUOY-SFHVURJKSA-N 1 2 327.428 1.929 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)c2ccc(C#N)s2)C1=O ZINC000541227578 448668465 /nfs/dbraw/zinc/66/84/65/448668465.db2.gz LLNQOXKWAKVYDD-GFCCVEGCSA-N 1 2 343.412 1.274 20 30 EDEDLO CCC(C#N)(CC)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000528810010 448685189 /nfs/dbraw/zinc/68/51/89/448685189.db2.gz HERFSAGTZQRHOF-HNNXBMFYSA-N 1 2 334.464 1.471 20 30 EDEDLO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592147817 448707056 /nfs/dbraw/zinc/70/70/56/448707056.db2.gz SJMNKGAITUZVMO-ACJLOTCBSA-N 1 2 345.399 1.459 20 30 EDEDLO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592147817 448707061 /nfs/dbraw/zinc/70/70/61/448707061.db2.gz SJMNKGAITUZVMO-ACJLOTCBSA-N 1 2 345.399 1.459 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000592148137 448708412 /nfs/dbraw/zinc/70/84/12/448708412.db2.gz RIISBZSVQASZME-OAHLLOKOSA-N 1 2 325.315 1.577 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000592148137 448708418 /nfs/dbraw/zinc/70/84/18/448708418.db2.gz RIISBZSVQASZME-OAHLLOKOSA-N 1 2 325.315 1.577 20 30 EDEDLO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149055 448708955 /nfs/dbraw/zinc/70/89/55/448708955.db2.gz HLOIELLNOXFPBI-QGZVFWFLSA-N 1 2 331.372 1.071 20 30 EDEDLO COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592149055 448708959 /nfs/dbraw/zinc/70/89/59/448708959.db2.gz HLOIELLNOXFPBI-QGZVFWFLSA-N 1 2 331.372 1.071 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528789036 448677937 /nfs/dbraw/zinc/67/79/37/448677937.db2.gz RXVNXQYDEVRZPB-OKQGUTHTSA-N 1 2 331.441 1.871 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528789036 448677941 /nfs/dbraw/zinc/67/79/41/448677941.db2.gz RXVNXQYDEVRZPB-OKQGUTHTSA-N 1 2 331.441 1.871 20 30 EDEDLO CCc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(C)nn1 ZINC000544741110 448767375 /nfs/dbraw/zinc/76/73/75/448767375.db2.gz SHWQGHUERDPSHI-UHFFFAOYSA-N 1 2 331.420 1.036 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)c1C ZINC000592201995 448739442 /nfs/dbraw/zinc/73/94/42/448739442.db2.gz OOICWFRONSKZJM-HUUCEWRRSA-N 1 2 334.416 1.329 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)c1C ZINC000592201995 448739444 /nfs/dbraw/zinc/73/94/44/448739444.db2.gz OOICWFRONSKZJM-HUUCEWRRSA-N 1 2 334.416 1.329 20 30 EDEDLO N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000585712197 448745168 /nfs/dbraw/zinc/74/51/68/448745168.db2.gz BSMLYKAOPGQIHT-INIZCTEOSA-N 1 2 337.383 1.235 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2cncnc2)cc1F ZINC000567995506 448795570 /nfs/dbraw/zinc/79/55/70/448795570.db2.gz MOYHOGPSBSJITI-QGZVFWFLSA-N 1 2 327.363 1.856 20 30 EDEDLO N#CC1CCC(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000579550749 448817537 /nfs/dbraw/zinc/81/75/37/448817537.db2.gz LGWJWGQRXILKKJ-UHFFFAOYSA-N 1 2 330.436 1.567 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000587872832 448845587 /nfs/dbraw/zinc/84/55/87/448845587.db2.gz HZKMGXCSGZGVOR-AWEZNQCLSA-N 1 2 327.432 1.523 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(CC#N)cc1 ZINC000579586724 448827122 /nfs/dbraw/zinc/82/71/22/448827122.db2.gz HMVUAUXGOWCVPS-YJBOKZPZSA-N 1 2 342.443 1.757 20 30 EDEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nnn1Cc1ccc(F)cc1 ZINC000579958027 448922483 /nfs/dbraw/zinc/92/24/83/448922483.db2.gz NWDRXAFHQCVSBW-KRWDZBQOSA-N 1 2 344.394 1.348 20 30 EDEDLO C[C@@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1nc(-c2cccc(F)c2)no1 ZINC000521227284 448964708 /nfs/dbraw/zinc/96/47/08/448964708.db2.gz CDYAZHLONPNHTE-IUODEOHRSA-N 1 2 347.394 1.733 20 30 EDEDLO C[C@@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1nc(-c2cccc(F)c2)no1 ZINC000521227284 448964717 /nfs/dbraw/zinc/96/47/17/448964717.db2.gz CDYAZHLONPNHTE-IUODEOHRSA-N 1 2 347.394 1.733 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2ccncc21 ZINC000592757711 448972407 /nfs/dbraw/zinc/97/24/07/448972407.db2.gz PCVHUZXLYMDQGV-UHFFFAOYSA-N 1 2 338.411 1.923 20 30 EDEDLO Cc1cc(NCCNC(=O)c2cc(C#N)cn2C)nc(C(C)C)[nH+]1 ZINC000529844217 448981263 /nfs/dbraw/zinc/98/12/63/448981263.db2.gz DRHKOMOXXOIGTC-UHFFFAOYSA-N 1 2 326.404 1.961 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000569439632 449025371 /nfs/dbraw/zinc/02/53/71/449025371.db2.gz OABAGDFGBBSZPM-WMZOPIPTSA-N 1 2 341.459 1.481 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000569439632 449025379 /nfs/dbraw/zinc/02/53/79/449025379.db2.gz OABAGDFGBBSZPM-WMZOPIPTSA-N 1 2 341.459 1.481 20 30 EDEDLO N#C[C@]1(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CC12CCCC2 ZINC000569544517 449038222 /nfs/dbraw/zinc/03/82/22/449038222.db2.gz ZWTOEBTULVHKLT-LPHOPBHVSA-N 1 2 347.459 1.410 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000592923697 449060253 /nfs/dbraw/zinc/06/02/53/449060253.db2.gz GNCFJWHLYQVASR-CYBMUJFWSA-N 1 2 328.328 1.285 20 30 EDEDLO C[C@H](C#N)N(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000595714578 449127687 /nfs/dbraw/zinc/12/76/87/449127687.db2.gz WCRYLULRWSFTAR-OAHLLOKOSA-N 1 2 342.443 1.834 20 30 EDEDLO CS(=O)(=O)[C@@H]1C[N@H+](CCCSCC#N)C[C@H]1C(F)(F)F ZINC000595625713 449087159 /nfs/dbraw/zinc/08/71/59/449087159.db2.gz IYPQGYKDHXEOIM-NXEZZACHSA-N 1 2 330.397 1.541 20 30 EDEDLO CS(=O)(=O)[C@@H]1C[N@@H+](CCCSCC#N)C[C@H]1C(F)(F)F ZINC000595625713 449087162 /nfs/dbraw/zinc/08/71/62/449087162.db2.gz IYPQGYKDHXEOIM-NXEZZACHSA-N 1 2 330.397 1.541 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798970 449097517 /nfs/dbraw/zinc/09/75/17/449097517.db2.gz XWODFRCIECZWIN-HNNXBMFYSA-N 1 2 337.427 1.890 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c([N+](=O)[O-])c1 ZINC000593024591 449105978 /nfs/dbraw/zinc/10/59/78/449105978.db2.gz NWQJCDHHDFPSBF-AWEZNQCLSA-N 1 2 329.360 1.502 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c([N+](=O)[O-])c1 ZINC000593024591 449105980 /nfs/dbraw/zinc/10/59/80/449105980.db2.gz NWQJCDHHDFPSBF-AWEZNQCLSA-N 1 2 329.360 1.502 20 30 EDEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593611057 449107771 /nfs/dbraw/zinc/10/77/71/449107771.db2.gz IODRUUIIQMZWOJ-UHFFFAOYSA-N 1 2 343.474 1.351 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)nc1 ZINC000590219208 449116423 /nfs/dbraw/zinc/11/64/23/449116423.db2.gz KPKAYFJEGFLXRO-UHFFFAOYSA-N 1 2 335.367 1.024 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC3(CC3(F)F)CC2)nc1 ZINC000593072473 449123075 /nfs/dbraw/zinc/12/30/75/449123075.db2.gz HOVOKLIYTBJBLY-UHFFFAOYSA-N 1 2 341.383 1.848 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(C(=O)OC(C)(C)C)nc1 ZINC000593153452 449153759 /nfs/dbraw/zinc/15/37/59/449153759.db2.gz RGTVFEHTXXWKRJ-QGZVFWFLSA-N 1 2 332.404 1.611 20 30 EDEDLO C[C@H](C(=O)NCc1ccc[nH+]c1N1CCCC1)n1cnc(C#N)n1 ZINC000597945097 449154467 /nfs/dbraw/zinc/15/44/67/449154467.db2.gz ZKLBLJGAOZMPNJ-GFCCVEGCSA-N 1 2 325.376 1.022 20 30 EDEDLO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cncnc1 ZINC000590410738 449150965 /nfs/dbraw/zinc/15/09/65/449150965.db2.gz YGAIQISPQSXGEF-OAHLLOKOSA-N 1 2 335.411 1.796 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000597993500 449177928 /nfs/dbraw/zinc/17/79/28/449177928.db2.gz FZFJFJLDZRHCCT-KGLIPLIRSA-N 1 2 330.432 1.463 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000597993500 449177933 /nfs/dbraw/zinc/17/79/33/449177933.db2.gz FZFJFJLDZRHCCT-KGLIPLIRSA-N 1 2 330.432 1.463 20 30 EDEDLO Cc1noc(C)c1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000590588356 449203424 /nfs/dbraw/zinc/20/34/24/449203424.db2.gz ZLMQRTIQMBODJV-UHFFFAOYSA-N 1 2 328.372 1.205 20 30 EDEDLO CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nnc2n1CCCCC2 ZINC000595810131 449181597 /nfs/dbraw/zinc/18/15/97/449181597.db2.gz WTRRVBLZOGYVEU-KSSFIOAISA-N 1 2 344.463 1.854 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000598001151 449188024 /nfs/dbraw/zinc/18/80/24/449188024.db2.gz WZZCNIMLVNKBHY-UONOGXRCSA-N 1 2 347.415 1.171 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000598001151 449188027 /nfs/dbraw/zinc/18/80/27/449188027.db2.gz WZZCNIMLVNKBHY-UONOGXRCSA-N 1 2 347.415 1.171 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)N4CCCC4)CC3)n2c1 ZINC000611253472 449238791 /nfs/dbraw/zinc/23/87/91/449238791.db2.gz LTQQHWDSDSZCDA-UHFFFAOYSA-N 1 2 338.415 1.539 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000594008920 449321497 /nfs/dbraw/zinc/32/14/97/449321497.db2.gz LPQMUVRBQSASGZ-VIFPVBQESA-N 1 2 334.401 1.862 20 30 EDEDLO N#Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1O ZINC000598342072 449356247 /nfs/dbraw/zinc/35/62/47/449356247.db2.gz DFDOSXHWVPDGCA-UHFFFAOYSA-N 1 2 329.400 1.448 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(c2nc3ncccc3cc2C#N)CC1 ZINC000596116943 449370150 /nfs/dbraw/zinc/37/01/50/449370150.db2.gz ZUTJTDKIXFJQAA-UHFFFAOYSA-N 1 2 333.399 1.557 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(C(=O)N2CCCC2)c1 ZINC000596039645 449332053 /nfs/dbraw/zinc/33/20/53/449332053.db2.gz RSLUQGQRQAZJIO-MRXNPFEDSA-N 1 2 331.416 1.508 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(C(=O)N2CCCC2)c1 ZINC000596039645 449332056 /nfs/dbraw/zinc/33/20/56/449332056.db2.gz RSLUQGQRQAZJIO-MRXNPFEDSA-N 1 2 331.416 1.508 20 30 EDEDLO N#CC1(C[C@H](O)C[NH2+][C@@H](CO)c2nc(-c3ccccc3)no2)CC1 ZINC000600746257 449530587 /nfs/dbraw/zinc/53/05/87/449530587.db2.gz VMSOAXIHVACFOC-KBPBESRZSA-N 1 2 328.372 1.414 20 30 EDEDLO COc1cc(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1C#N ZINC000596604958 449570458 /nfs/dbraw/zinc/57/04/58/449570458.db2.gz NNOWLWBKTMROQO-KBPBESRZSA-N 1 2 346.431 1.475 20 30 EDEDLO COc1cc(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1C#N ZINC000596604958 449570461 /nfs/dbraw/zinc/57/04/61/449570461.db2.gz NNOWLWBKTMROQO-KBPBESRZSA-N 1 2 346.431 1.475 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000614363981 449579461 /nfs/dbraw/zinc/57/94/61/449579461.db2.gz QCWGOZMMPMMFGW-UHFFFAOYSA-N 1 2 340.383 1.827 20 30 EDEDLO Cn1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c([N+](=O)[O-])n1 ZINC000602439028 449587780 /nfs/dbraw/zinc/58/77/80/449587780.db2.gz WFKLKARNTIGONE-UHFFFAOYSA-N 1 2 326.360 1.522 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1[C@@H](c1nccn1C)C1CC1 ZINC000602482328 449625060 /nfs/dbraw/zinc/62/50/60/449625060.db2.gz DZKVXPJBORNAID-XJKSGUPXSA-N 1 2 337.431 1.744 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1[C@@H](c1nccn1C)C1CC1 ZINC000602482328 449625068 /nfs/dbraw/zinc/62/50/68/449625068.db2.gz DZKVXPJBORNAID-XJKSGUPXSA-N 1 2 337.431 1.744 20 30 EDEDLO N#CCCCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000598983829 449679642 /nfs/dbraw/zinc/67/96/42/449679642.db2.gz WNJVYFDQFYDXMQ-MRXNPFEDSA-N 1 2 331.420 1.275 20 30 EDEDLO N#CCCCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000598983829 449679646 /nfs/dbraw/zinc/67/96/46/449679646.db2.gz WNJVYFDQFYDXMQ-MRXNPFEDSA-N 1 2 331.420 1.275 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000602848414 449856161 /nfs/dbraw/zinc/85/61/61/449856161.db2.gz NGHQSSMGMAVGIQ-MGPQQGTHSA-N 1 2 331.416 1.885 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000602848414 449856164 /nfs/dbraw/zinc/85/61/64/449856164.db2.gz NGHQSSMGMAVGIQ-MGPQQGTHSA-N 1 2 331.416 1.885 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)CC3(C#N)CCCCC3)CC2)cn1 ZINC000597181098 449857736 /nfs/dbraw/zinc/85/77/36/449857736.db2.gz TWRYVFIGKOKMJF-UHFFFAOYSA-N 1 2 329.448 1.928 20 30 EDEDLO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602857142 449865591 /nfs/dbraw/zinc/86/55/91/449865591.db2.gz OZRBOTUBOKUZFM-BZUAXINKSA-N 1 2 326.444 1.882 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NCCCc2ccccc2)C[C@H](C)N1CC#N ZINC000602857806 449865849 /nfs/dbraw/zinc/86/58/49/449865849.db2.gz VDVBKJDAEHDPBY-CALCHBBNSA-N 1 2 328.460 1.654 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NCCCc2ccccc2)C[C@H](C)N1CC#N ZINC000602857806 449865857 /nfs/dbraw/zinc/86/58/57/449865857.db2.gz VDVBKJDAEHDPBY-CALCHBBNSA-N 1 2 328.460 1.654 20 30 EDEDLO Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602864866 449872927 /nfs/dbraw/zinc/87/29/27/449872927.db2.gz QXZKCNSKCORUIM-RCCFBDPRSA-N 1 2 342.487 1.960 20 30 EDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000602863068 449873654 /nfs/dbraw/zinc/87/36/54/449873654.db2.gz NNWRENGPZVDPMH-HUUCEWRRSA-N 1 2 334.464 1.375 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000601383630 449900036 /nfs/dbraw/zinc/90/00/36/449900036.db2.gz NNAKWBNHQMBSFE-NEPJUHHUSA-N 1 2 325.409 1.719 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000601383630 449900041 /nfs/dbraw/zinc/90/00/41/449900041.db2.gz NNAKWBNHQMBSFE-NEPJUHHUSA-N 1 2 325.409 1.719 20 30 EDEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cc(OC)c1OCC(N)=O ZINC000597229523 449884491 /nfs/dbraw/zinc/88/44/91/449884491.db2.gz LUNAIQSPCWEZOP-QGZVFWFLSA-N 1 2 333.388 1.303 20 30 EDEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)cc(OC)c1OCC(N)=O ZINC000597229523 449884497 /nfs/dbraw/zinc/88/44/97/449884497.db2.gz LUNAIQSPCWEZOP-QGZVFWFLSA-N 1 2 333.388 1.303 20 30 EDEDLO N#Cc1csc(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)n1 ZINC000602889285 449895773 /nfs/dbraw/zinc/89/57/73/449895773.db2.gz CWZVKCRXUCBKKM-AWEZNQCLSA-N 1 2 338.502 1.654 20 30 EDEDLO N#Cc1csc(C[N@@H+](CCN2CCOCC2)[C@H]2CCSC2)n1 ZINC000602889285 449895778 /nfs/dbraw/zinc/89/57/78/449895778.db2.gz CWZVKCRXUCBKKM-AWEZNQCLSA-N 1 2 338.502 1.654 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000601395594 449911822 /nfs/dbraw/zinc/91/18/22/449911822.db2.gz MNQFRZIARVIHSR-ZDUSSCGKSA-N 1 2 334.376 1.496 20 30 EDEDLO CCOC(=O)C[N@H+](C[C@H](O)COc1ccccc1C#N)C1CCC1 ZINC000599365641 449922510 /nfs/dbraw/zinc/92/25/10/449922510.db2.gz FLFBCNVNMVVLML-INIZCTEOSA-N 1 2 332.400 1.716 20 30 EDEDLO CCOC(=O)C[N@@H+](C[C@H](O)COc1ccccc1C#N)C1CCC1 ZINC000599365641 449922515 /nfs/dbraw/zinc/92/25/15/449922515.db2.gz FLFBCNVNMVVLML-INIZCTEOSA-N 1 2 332.400 1.716 20 30 EDEDLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc1 ZINC000599444068 449979419 /nfs/dbraw/zinc/97/94/19/449979419.db2.gz PJWGCTGXCQCZCJ-ACJLOTCBSA-N 1 2 346.431 1.743 20 30 EDEDLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc1 ZINC000599444068 449979420 /nfs/dbraw/zinc/97/94/20/449979420.db2.gz PJWGCTGXCQCZCJ-ACJLOTCBSA-N 1 2 346.431 1.743 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988038 449984512 /nfs/dbraw/zinc/98/45/12/449984512.db2.gz ZDLVAPVBPLEFKF-WCFLWFBJSA-N 1 2 341.333 1.988 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988038 449984520 /nfs/dbraw/zinc/98/45/20/449984520.db2.gz ZDLVAPVBPLEFKF-WCFLWFBJSA-N 1 2 341.333 1.988 20 30 EDEDLO N#Cc1ccc(OCCN2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000602998645 449991313 /nfs/dbraw/zinc/99/13/13/449991313.db2.gz FODPEZCDFOYUSL-UHFFFAOYSA-N 1 2 337.427 1.587 20 30 EDEDLO Cc1ccccc1CCNC(=O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609486332 450036410 /nfs/dbraw/zinc/03/64/10/450036410.db2.gz IJHCUFQXKFMKDH-IBGZPJMESA-N 1 2 342.487 1.820 20 30 EDEDLO CC(C)(CNS(=O)(=O)Cc1ccc(CC#N)cc1)n1cc[nH+]c1 ZINC000601527473 450050395 /nfs/dbraw/zinc/05/03/95/450050395.db2.gz UNPNNNCPBJAWIM-UHFFFAOYSA-N 1 2 332.429 1.804 20 30 EDEDLO N#CCC1CN(C(=O)c2ccc(NCC[NH+]3CCOCC3)c(F)c2)C1 ZINC000601668183 450155290 /nfs/dbraw/zinc/15/52/90/450155290.db2.gz XUNDTDJSRWMGPT-UHFFFAOYSA-N 1 2 346.406 1.555 20 30 EDEDLO N#CC1(CCCn2cc(C[NH+]3CCSCC3)nn2)CCOCC1 ZINC000603232251 450162021 /nfs/dbraw/zinc/16/20/21/450162021.db2.gz HBJGGCHDQSFKND-UHFFFAOYSA-N 1 2 335.477 1.927 20 30 EDEDLO N#Cc1c[nH]nc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000601639271 450133231 /nfs/dbraw/zinc/13/32/31/450133231.db2.gz MTSNWVQNVJJYCR-OAHLLOKOSA-N 1 2 327.363 2.414 20 30 EDEDLO N#Cc1c[nH]nc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000601639271 450133235 /nfs/dbraw/zinc/13/32/35/450133235.db2.gz MTSNWVQNVJJYCR-OAHLLOKOSA-N 1 2 327.363 2.414 20 30 EDEDLO N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000597688672 450199107 /nfs/dbraw/zinc/19/91/07/450199107.db2.gz GIBUISAHTUYJEW-CYBMUJFWSA-N 1 2 336.399 1.130 20 30 EDEDLO N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000597688672 450199109 /nfs/dbraw/zinc/19/91/09/450199109.db2.gz GIBUISAHTUYJEW-CYBMUJFWSA-N 1 2 336.399 1.130 20 30 EDEDLO N#Cc1cc(F)c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000610665077 450289639 /nfs/dbraw/zinc/28/96/39/450289639.db2.gz JKTACRODTDCBHW-ZDUSSCGKSA-N 1 2 335.354 1.773 20 30 EDEDLO Cc1c(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cnn1C ZINC000610842027 450353577 /nfs/dbraw/zinc/35/35/77/450353577.db2.gz BCSBOWXGHRYRBA-UHFFFAOYSA-N 1 2 326.404 1.788 20 30 EDEDLO CCc1nocc1C[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625449038 450368252 /nfs/dbraw/zinc/36/82/52/450368252.db2.gz ZPFIAMSALFQXMG-UHFFFAOYSA-N 1 2 337.379 1.968 20 30 EDEDLO CCc1nocc1C[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625449038 450368259 /nfs/dbraw/zinc/36/82/59/450368259.db2.gz ZPFIAMSALFQXMG-UHFFFAOYSA-N 1 2 337.379 1.968 20 30 EDEDLO C=CC[C@H]1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000628492479 451266699 /nfs/dbraw/zinc/26/66/99/451266699.db2.gz VVBDVTPNRZAFLK-GOEBONIOSA-N 1 2 332.448 1.908 20 30 EDEDLO C=CC[C@H]1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000628492479 451266703 /nfs/dbraw/zinc/26/67/03/451266703.db2.gz VVBDVTPNRZAFLK-GOEBONIOSA-N 1 2 332.448 1.908 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCc2cccc(OC)c2)nn1 ZINC000640910893 451686405 /nfs/dbraw/zinc/68/64/05/451686405.db2.gz ACBZEOVZLFMLEY-AWEZNQCLSA-N 1 2 341.415 1.277 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000636458014 451717886 /nfs/dbraw/zinc/71/78/86/451717886.db2.gz SKBRKVLOROZIMO-UHFFFAOYSA-N 1 2 339.480 1.322 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCc2c(F)cccc2F)nn1 ZINC000640980629 451718813 /nfs/dbraw/zinc/71/88/13/451718813.db2.gz XLEGKQDWRNRAQF-UHFFFAOYSA-N 1 2 347.369 1.028 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2cn(-c3ccc(Cl)cc3)nn2)nn1 ZINC000641109733 451752180 /nfs/dbraw/zinc/75/21/80/451752180.db2.gz JYUFVNPYYRAXTB-UHFFFAOYSA-N 1 2 341.806 1.673 20 30 EDEDLO C=CCNS(=O)(=O)c1ccccc1NCC[N@H+]1CCOC[C@@H]1C ZINC000641343105 451867470 /nfs/dbraw/zinc/86/74/70/451867470.db2.gz ASFRUOCRBYMKNP-AWEZNQCLSA-N 1 2 339.461 1.284 20 30 EDEDLO C=CCNS(=O)(=O)c1ccccc1NCC[N@@H+]1CCOC[C@@H]1C ZINC000641343105 451867475 /nfs/dbraw/zinc/86/74/75/451867475.db2.gz ASFRUOCRBYMKNP-AWEZNQCLSA-N 1 2 339.461 1.284 20 30 EDEDLO C=C(C)CN(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637528962 451927121 /nfs/dbraw/zinc/92/71/21/451927121.db2.gz QRFGPSLZXBZVHL-KRWDZBQOSA-N 1 2 332.448 1.890 20 30 EDEDLO C=C(C)CN(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637528962 451927125 /nfs/dbraw/zinc/92/71/25/451927125.db2.gz QRFGPSLZXBZVHL-KRWDZBQOSA-N 1 2 332.448 1.890 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000639843501 452174964 /nfs/dbraw/zinc/17/49/64/452174964.db2.gz DGOAJRFPESAMNC-QGZVFWFLSA-N 1 2 346.390 1.913 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639843501 452174971 /nfs/dbraw/zinc/17/49/71/452174971.db2.gz DGOAJRFPESAMNC-QGZVFWFLSA-N 1 2 346.390 1.913 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000652083675 452271512 /nfs/dbraw/zinc/27/15/12/452271512.db2.gz JHOJIHSNEMQSDK-KDOFPFPSSA-N 1 2 335.448 1.386 20 30 EDEDLO C=CCc1cc(C[NH2+]Cc2nc(C(N)=O)cs2)cc(OC)c1O ZINC000657685371 452444879 /nfs/dbraw/zinc/44/48/79/452444879.db2.gz CLWHTFJWKKLIJM-UHFFFAOYSA-N 1 2 333.413 1.975 20 30 EDEDLO C=CCOCCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000679630093 487448148 /nfs/dbraw/zinc/44/81/48/487448148.db2.gz OROOGBPDTXONPK-UHFFFAOYSA-N 1 2 343.431 1.364 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000668495277 485804667 /nfs/dbraw/zinc/80/46/67/485804667.db2.gz NKPMNFKHESRACE-AWEZNQCLSA-N 1 2 330.432 1.579 20 30 EDEDLO C#CC[C@H]([NH2+]Cc1nnnn1CC1CCOCC1)c1ccccc1 ZINC000278948387 486003636 /nfs/dbraw/zinc/00/36/36/486003636.db2.gz YQGTUIPJRYLQLI-KRWDZBQOSA-N 1 2 325.416 1.954 20 30 EDEDLO CN1C(=O)NC2(CC[NH+](CC#Cc3ccccc3Cl)CC2)C1=O ZINC000090005433 491198710 /nfs/dbraw/zinc/19/87/10/491198710.db2.gz BBWVCDNIFXVKAY-UHFFFAOYSA-N 1 2 331.803 1.708 20 30 EDEDLO N#CCOc1cccc(CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000089778529 534698772 /nfs/dbraw/zinc/69/87/72/534698772.db2.gz OIRKQJTXOYZQEA-INIZCTEOSA-N 1 2 336.395 1.922 20 30 EDEDLO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263693553 534707472 /nfs/dbraw/zinc/70/74/72/534707472.db2.gz KGBNBBLDDJYSIZ-UHFFFAOYSA-N 1 2 343.431 1.305 20 30 EDEDLO C=CC[N@@H+](Cc1cn(C)nc1-c1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361586 526379114 /nfs/dbraw/zinc/37/91/14/526379114.db2.gz LBCJVSHIMXWISF-MRXNPFEDSA-N 1 2 346.456 1.657 20 30 EDEDLO C=CC[N@H+](Cc1cn(C)nc1-c1ccncc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361586 526379118 /nfs/dbraw/zinc/37/91/18/526379118.db2.gz LBCJVSHIMXWISF-MRXNPFEDSA-N 1 2 346.456 1.657 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000098135780 527025624 /nfs/dbraw/zinc/02/56/24/527025624.db2.gz NVUHKFPVYOQKTK-AWEZNQCLSA-N 1 2 347.846 1.626 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000098135780 527025627 /nfs/dbraw/zinc/02/56/27/527025627.db2.gz NVUHKFPVYOQKTK-AWEZNQCLSA-N 1 2 347.846 1.626 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000330545066 535305686 /nfs/dbraw/zinc/30/56/86/535305686.db2.gz ZOKZKWGRXUFTFZ-KBXCAEBGSA-N 1 2 347.438 1.786 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@@H](C)O1 ZINC000246002181 535845887 /nfs/dbraw/zinc/84/58/87/535845887.db2.gz JEXYJSWGJXFTEU-BRWVUGGUSA-N 1 2 336.480 1.178 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@@H](C)O1 ZINC000246002181 535845892 /nfs/dbraw/zinc/84/58/92/535845892.db2.gz JEXYJSWGJXFTEU-BRWVUGGUSA-N 1 2 336.480 1.178 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000742139006 579436274 /nfs/dbraw/zinc/43/62/74/579436274.db2.gz LTAUCNSTEBLRLN-UAGQMJEPSA-N 1 2 325.412 1.394 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000742139006 579436276 /nfs/dbraw/zinc/43/62/76/579436276.db2.gz LTAUCNSTEBLRLN-UAGQMJEPSA-N 1 2 325.412 1.394 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(c1ccc(S(N)(=O)=O)cc1C#N)C2 ZINC000742399644 579451049 /nfs/dbraw/zinc/45/10/49/579451049.db2.gz VYMLRXXKQAGGSA-UHFFFAOYSA-N 1 2 331.401 1.039 20 30 EDEDLO N#CCn1c(CN2CCC[C@@H](n3cc[nH+]c3)C2)nc2ccccc2c1=O ZINC000729921113 578599812 /nfs/dbraw/zinc/59/98/12/578599812.db2.gz XWSISYPBJCCPCS-OAHLLOKOSA-N 1 2 348.410 1.954 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCCN(Cc3[nH+]ccn3CC)CC2)cn1 ZINC000729922389 578600309 /nfs/dbraw/zinc/60/03/09/578600309.db2.gz ZAYWZTIVEVMOQG-UHFFFAOYSA-N 1 2 337.427 1.627 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2noc(C)n2)cc1 ZINC000731055614 578666913 /nfs/dbraw/zinc/66/69/13/578666913.db2.gz ZMVOOZIAJBATGH-INIZCTEOSA-N 1 2 340.383 1.993 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2noc(C)n2)cc1 ZINC000731055614 578666914 /nfs/dbraw/zinc/66/69/14/578666914.db2.gz ZMVOOZIAJBATGH-INIZCTEOSA-N 1 2 340.383 1.993 20 30 EDEDLO C[C@H](C(=O)OCC(=O)NCC#N)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732396206 578709461 /nfs/dbraw/zinc/70/94/61/578709461.db2.gz ADSXLELNGIDZHO-OAHLLOKOSA-N 1 2 343.427 1.513 20 30 EDEDLO CCC[C@@H]1CC(=O)N(C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000760552836 580033589 /nfs/dbraw/zinc/03/35/89/580033589.db2.gz SQPVYINDWWXFAN-OAHLLOKOSA-N 1 2 327.432 1.681 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(OC)cc2OC)CC1 ZINC000735941230 578939615 /nfs/dbraw/zinc/93/96/15/578939615.db2.gz ZPOASNLJQDOCDU-UHFFFAOYSA-N 1 2 345.395 1.775 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000744422275 579510189 /nfs/dbraw/zinc/51/01/89/579510189.db2.gz KEIXNMMHZWWDRD-UHFFFAOYSA-N 1 2 340.383 1.348 20 30 EDEDLO CCc1ccc(C(C)=NNC(=S)NCC[NH+]2CCOCC2)s1 ZINC000744700362 579520621 /nfs/dbraw/zinc/52/06/21/579520621.db2.gz MNHBZMNDTBXHEB-UHFFFAOYSA-N 1 2 340.518 1.831 20 30 EDEDLO N#Cc1ccc(CN(C(=S)NCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000745653870 579556773 /nfs/dbraw/zinc/55/67/73/579556773.db2.gz VPGPCONLYOHBOQ-UHFFFAOYSA-N 1 2 344.484 1.729 20 30 EDEDLO C=CC[N@@H+](C)CN1C(=O)C(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000777541801 580444017 /nfs/dbraw/zinc/44/40/17/580444017.db2.gz RXCZKURFRWFRGK-UHFFFAOYSA-N 1 2 331.372 1.104 20 30 EDEDLO C=CC[N@H+](C)CN1C(=O)C(=O)N(CCc2ccc(OC)cc2)C1=O ZINC000777541801 580444018 /nfs/dbraw/zinc/44/40/18/580444018.db2.gz RXCZKURFRWFRGK-UHFFFAOYSA-N 1 2 331.372 1.104 20 30 EDEDLO C=CCn1nnn(C[N@H+]2CCC[C@H](C(=O)NCCCC)C2)c1=S ZINC000747800746 579658796 /nfs/dbraw/zinc/65/87/96/579658796.db2.gz AUQVCFREFKEGRS-ZDUSSCGKSA-N 1 2 338.481 1.581 20 30 EDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@H](C(=O)NCCCC)C2)c1=S ZINC000747800746 579658797 /nfs/dbraw/zinc/65/87/97/579658797.db2.gz AUQVCFREFKEGRS-ZDUSSCGKSA-N 1 2 338.481 1.581 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc3c(cc2Cl)OCCO3)CC1 ZINC000749990726 579747086 /nfs/dbraw/zinc/74/70/86/579747086.db2.gz ROTAUGSQGFRLMH-UHFFFAOYSA-N 1 2 349.818 1.301 20 30 EDEDLO N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000750601903 579772508 /nfs/dbraw/zinc/77/25/08/579772508.db2.gz HAMGTSREEMJPRN-UHFFFAOYSA-N 1 2 342.403 1.414 20 30 EDEDLO Cc1cc(C)n(C2N=NC(=S)N2N=C2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000753954830 579892290 /nfs/dbraw/zinc/89/22/90/579892290.db2.gz IHAPVTZASGMYFL-JTQLQIEISA-N 1 2 331.449 1.830 20 30 EDEDLO Cc1cc(C)n(C2N=NC(=S)N2N=C2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000753954830 579892291 /nfs/dbraw/zinc/89/22/91/579892291.db2.gz IHAPVTZASGMYFL-JTQLQIEISA-N 1 2 331.449 1.830 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)C3(C#N)CCOCC3)CC2)S1 ZINC000754283390 579900361 /nfs/dbraw/zinc/90/03/61/579900361.db2.gz ANGFQJFYLACOMB-UHFFFAOYSA-N 1 2 336.461 1.332 20 30 EDEDLO Cn1c[nH+]cc1CN=Nc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000755661829 579932014 /nfs/dbraw/zinc/93/20/14/579932014.db2.gz PAPQOFLNVBGYDG-UHFFFAOYSA-N 1 2 335.433 1.943 20 30 EDEDLO Cn1c[nH+]cc1C=NNc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000755661829 579932015 /nfs/dbraw/zinc/93/20/15/579932015.db2.gz PAPQOFLNVBGYDG-UHFFFAOYSA-N 1 2 335.433 1.943 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000759104427 579998568 /nfs/dbraw/zinc/99/85/68/579998568.db2.gz ZOOVWMUNUMXZOL-INIZCTEOSA-N 1 2 349.475 1.801 20 30 EDEDLO C#CC[C@@H](NC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccccc1 ZINC000764461489 580120757 /nfs/dbraw/zinc/12/07/57/580120757.db2.gz HZTXJQQGMZVVKZ-GOSISDBHSA-N 1 2 345.443 1.087 20 30 EDEDLO COc1ccc([C@]2(C)NC(=O)N(N=Cc3ccc[nH+]c3N)C2=O)cc1 ZINC000764661273 580125973 /nfs/dbraw/zinc/12/59/73/580125973.db2.gz WADPJFWVTKHBFX-KRWDZBQOSA-N 1 2 339.355 1.474 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000765802826 580151696 /nfs/dbraw/zinc/15/16/96/580151696.db2.gz IDLNQFIJCGJAAV-LBPRGKRZSA-N 1 2 345.390 1.312 20 30 EDEDLO COc1cccc(S(C)(=O)=O)c1N=NC1C[N@@H+](C2CC2)C[C@@H]1C ZINC000767394735 580188319 /nfs/dbraw/zinc/18/83/19/580188319.db2.gz QQSVFXUZMQVKGI-NSHDSACASA-N 1 2 337.445 1.981 20 30 EDEDLO COc1cccc(S(C)(=O)=O)c1N=NC1C[N@H+](C2CC2)C[C@@H]1C ZINC000767394735 580188320 /nfs/dbraw/zinc/18/83/20/580188320.db2.gz QQSVFXUZMQVKGI-NSHDSACASA-N 1 2 337.445 1.981 20 30 EDEDLO CCOc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)c(O)c1 ZINC000771931975 580298913 /nfs/dbraw/zinc/29/89/13/580298913.db2.gz RYQWHSFROCRHND-UHFFFAOYSA-N 1 2 333.432 1.839 20 30 EDEDLO CCOc1ccc(C[N@H+](CCC#N)CCN2CCOCC2)c(O)c1 ZINC000771931975 580298914 /nfs/dbraw/zinc/29/89/14/580298914.db2.gz RYQWHSFROCRHND-UHFFFAOYSA-N 1 2 333.432 1.839 20 30 EDEDLO CCOc1ccc(C[N@@H+](CCC#N)CCN2CCOCC2)c(O)c1 ZINC000771931975 580298915 /nfs/dbraw/zinc/29/89/15/580298915.db2.gz RYQWHSFROCRHND-UHFFFAOYSA-N 1 2 333.432 1.839 20 30 EDEDLO C#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000775340048 580388720 /nfs/dbraw/zinc/38/87/20/580388720.db2.gz LQKFKEGTOZSOJN-CZUORRHYSA-N 1 2 340.339 1.691 20 30 EDEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2COCC[N@@H+]2CC)c1 ZINC000775604519 580395118 /nfs/dbraw/zinc/39/51/18/580395118.db2.gz NRBNQBNWELHRHX-RDJZCZTQSA-N 1 2 331.416 1.704 20 30 EDEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2COCC[N@H+]2CC)c1 ZINC000775604519 580395119 /nfs/dbraw/zinc/39/51/19/580395119.db2.gz NRBNQBNWELHRHX-RDJZCZTQSA-N 1 2 331.416 1.704 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc(C)c2Cl)CC1 ZINC000775695352 580397426 /nfs/dbraw/zinc/39/74/26/580397426.db2.gz UZGCBEYVXLAJHM-UHFFFAOYSA-N 1 2 326.849 1.978 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)[C@@H]1CCCO1 ZINC000775807548 580401629 /nfs/dbraw/zinc/40/16/29/580401629.db2.gz SGMJWHDURVREAY-KBPBESRZSA-N 1 2 349.341 1.534 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3CO)CC2)cc1 ZINC000779724995 580495441 /nfs/dbraw/zinc/49/54/41/580495441.db2.gz WKPQHGFJTDOZTI-UHFFFAOYSA-N 1 2 349.434 1.937 20 30 EDEDLO CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1=O ZINC000779880223 580500731 /nfs/dbraw/zinc/50/07/31/580500731.db2.gz YFUCAEITKPDNJN-KRWDZBQOSA-N 1 2 344.419 1.160 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)S1 ZINC000780952063 580538543 /nfs/dbraw/zinc/53/85/43/580538543.db2.gz VZTGYRDTTWLMAG-WFASDCNBSA-N 1 2 344.440 1.227 20 30 EDEDLO C#CCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000784544712 580623456 /nfs/dbraw/zinc/62/34/56/580623456.db2.gz KETBQBOHWDSKRR-HNNXBMFYSA-N 1 2 330.363 1.598 20 30 EDEDLO C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000785071828 580635095 /nfs/dbraw/zinc/63/50/95/580635095.db2.gz NRJPVUUHAFOSLR-QGZVFWFLSA-N 1 2 338.371 1.358 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cnn(CCCC)c2C(C)C)CC1 ZINC000790317654 580766685 /nfs/dbraw/zinc/76/66/85/580766685.db2.gz HGAGCILRHQGOEV-UHFFFAOYSA-N 1 2 345.491 1.996 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)cn1 ZINC000791186441 580786027 /nfs/dbraw/zinc/78/60/27/580786027.db2.gz NRYFGLXYLYQLLU-UHFFFAOYSA-N 1 2 332.367 1.563 20 30 EDEDLO CCOCCOCC[N@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793518850 580846811 /nfs/dbraw/zinc/84/68/11/580846811.db2.gz XSOPULZSPIJHCB-UHFFFAOYSA-N 1 2 333.432 1.541 20 30 EDEDLO CCOCCOCC[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793518850 580846812 /nfs/dbraw/zinc/84/68/12/580846812.db2.gz XSOPULZSPIJHCB-UHFFFAOYSA-N 1 2 333.432 1.541 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000793821563 580857261 /nfs/dbraw/zinc/85/72/61/580857261.db2.gz XFFBNXSZLPMPDW-YPMHNXCESA-N 1 2 333.392 1.218 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000793821563 580857262 /nfs/dbraw/zinc/85/72/62/580857262.db2.gz XFFBNXSZLPMPDW-YPMHNXCESA-N 1 2 333.392 1.218 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000794954003 580908936 /nfs/dbraw/zinc/90/89/36/580908936.db2.gz UOFJGRAFDIYKMW-JWFUOXDNSA-N 1 2 347.802 1.889 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000794954003 580908937 /nfs/dbraw/zinc/90/89/37/580908937.db2.gz UOFJGRAFDIYKMW-JWFUOXDNSA-N 1 2 347.802 1.889 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000798351639 580994980 /nfs/dbraw/zinc/99/49/80/580994980.db2.gz XBJUNDUADGEEQT-HNNXBMFYSA-N 1 2 328.416 1.808 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000798361026 580995362 /nfs/dbraw/zinc/99/53/62/580995362.db2.gz ZZJLLYUHYCBECJ-MRXNPFEDSA-N 1 2 330.432 1.645 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1=O ZINC000799144031 581018713 /nfs/dbraw/zinc/01/87/13/581018713.db2.gz WORRTQDIVHRTGH-HNNXBMFYSA-N 1 2 329.360 1.621 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1=O ZINC000799144031 581018714 /nfs/dbraw/zinc/01/87/14/581018714.db2.gz WORRTQDIVHRTGH-HNNXBMFYSA-N 1 2 329.360 1.621 20 30 EDEDLO Cn1nccc1[C@@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000800860374 581060110 /nfs/dbraw/zinc/06/01/10/581060110.db2.gz SEMQQAZRHZWPJB-OAHLLOKOSA-N 1 2 337.427 1.779 20 30 EDEDLO Cn1nccc1[C@@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C1 ZINC000800860374 581060111 /nfs/dbraw/zinc/06/01/11/581060111.db2.gz SEMQQAZRHZWPJB-OAHLLOKOSA-N 1 2 337.427 1.779 20 30 EDEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](C(F)F)C2)cc1 ZINC000801559731 581079828 /nfs/dbraw/zinc/07/98/28/581079828.db2.gz KZKXEKIQYBCFLI-HIFRSBDPSA-N 1 2 326.343 1.458 20 30 EDEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](C(F)F)C2)cc1 ZINC000801559731 581079829 /nfs/dbraw/zinc/07/98/29/581079829.db2.gz KZKXEKIQYBCFLI-HIFRSBDPSA-N 1 2 326.343 1.458 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000801915820 581087948 /nfs/dbraw/zinc/08/79/48/581087948.db2.gz VNGAVBPULKSXFE-CYBMUJFWSA-N 1 2 347.444 1.844 20 30 EDEDLO C=CCC1(O)CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000891986282 590727192 /nfs/dbraw/zinc/72/71/92/590727192.db2.gz GTAOZQYTCBTPEH-UHFFFAOYSA-N 1 2 342.399 1.511 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1nc(F)ccc1Br ZINC000890887766 590830708 /nfs/dbraw/zinc/83/07/08/590830708.db2.gz URPOQKCHSFSJHD-LBPRGKRZSA-N 1 2 329.173 1.557 20 30 EDEDLO C[C@]1(C#N)CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000892282525 590912068 /nfs/dbraw/zinc/91/20/68/590912068.db2.gz UKNXXFVXLGSWEL-KRWDZBQOSA-N 1 2 325.372 1.696 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)Cc2ccc(OCC#N)cc2)C[N@@H+]1C ZINC000893582194 590985865 /nfs/dbraw/zinc/98/58/65/590985865.db2.gz LBVKUAVXXJFNJE-MAUKXSAKSA-N 1 2 346.383 1.310 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)Cc2ccc(OCC#N)cc2)C[N@H+]1C ZINC000893582194 590985866 /nfs/dbraw/zinc/98/58/66/590985866.db2.gz LBVKUAVXXJFNJE-MAUKXSAKSA-N 1 2 346.383 1.310 20 30 EDEDLO CCc1nnc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000894004827 591165894 /nfs/dbraw/zinc/16/58/94/591165894.db2.gz AHKSNAFQNBRIPO-AWEZNQCLSA-N 1 2 341.440 1.863 20 30 EDEDLO C[C@]1(C#N)CN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000891706120 591193762 /nfs/dbraw/zinc/19/37/62/591193762.db2.gz ZFMAWZZMIWHUPG-INIZCTEOSA-N 1 2 326.360 1.091 20 30 EDEDLO C=CC[N@@H+](Cc1ccc(C(=O)OC)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000891769132 591217834 /nfs/dbraw/zinc/21/78/34/591217834.db2.gz GDRKDCYARIJIHN-OAHLLOKOSA-N 1 2 337.441 1.957 20 30 EDEDLO C=CC[N@H+](Cc1ccc(C(=O)OC)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000891769132 591217837 /nfs/dbraw/zinc/21/78/37/591217837.db2.gz GDRKDCYARIJIHN-OAHLLOKOSA-N 1 2 337.441 1.957 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)c2[nH]c3ccccc3c2C#N)[C@@H](C)CO1 ZINC000898667559 591463319 /nfs/dbraw/zinc/46/33/19/591463319.db2.gz XUUQPPXNMFEVGK-STQMWFEESA-N 1 2 326.400 1.879 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2[nH]c3ccccc3c2C#N)[C@@H](C)CO1 ZINC000898667559 591463322 /nfs/dbraw/zinc/46/33/22/591463322.db2.gz XUUQPPXNMFEVGK-STQMWFEESA-N 1 2 326.400 1.879 20 30 EDEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000898895550 591590151 /nfs/dbraw/zinc/59/01/51/591590151.db2.gz JQMUVKRBJRDTLN-INIZCTEOSA-N 1 2 338.411 1.953 20 30 EDEDLO C#CC1(O)CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000899121536 591690910 /nfs/dbraw/zinc/69/09/10/591690910.db2.gz DHQMICBKDWCOHK-QGZVFWFLSA-N 1 2 328.412 1.256 20 30 EDEDLO C#CC1(O)CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000899121536 591690912 /nfs/dbraw/zinc/69/09/12/591690912.db2.gz DHQMICBKDWCOHK-QGZVFWFLSA-N 1 2 328.412 1.256 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000896949100 591692357 /nfs/dbraw/zinc/69/23/57/591692357.db2.gz OUCNJSIKTFMAMV-INIZCTEOSA-N 1 2 339.439 1.437 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1 ZINC000899129958 591698828 /nfs/dbraw/zinc/69/88/28/591698828.db2.gz NQQBCHCPARGXGP-IBGZPJMESA-N 1 2 328.412 1.014 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1 ZINC000899129958 591698831 /nfs/dbraw/zinc/69/88/31/591698831.db2.gz NQQBCHCPARGXGP-IBGZPJMESA-N 1 2 328.412 1.014 20 30 EDEDLO Cn1nc2c(c1C[NH+]1CCN(c3ccsc3C#N)CC1)COCC2 ZINC000895321179 591712547 /nfs/dbraw/zinc/71/25/47/591712547.db2.gz TZAGYBHDWLNOMT-UHFFFAOYSA-N 1 2 343.456 1.748 20 30 EDEDLO CNc1[nH+]c(C)ccc1C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000900044015 591881016 /nfs/dbraw/zinc/88/10/16/591881016.db2.gz DUTWAEHUXWZBPM-UHFFFAOYSA-N 1 2 336.399 1.661 20 30 EDEDLO O=C1C[C@@H](c2ccccn2)CN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902599937 592022303 /nfs/dbraw/zinc/02/23/03/592022303.db2.gz OQTCRDLFEDBWBC-OAHLLOKOSA-N 1 2 341.411 1.693 20 30 EDEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)C(F)(F)c2ccccc2C#N)C[C@@H]1C ZINC000900846662 592146497 /nfs/dbraw/zinc/14/64/97/592146497.db2.gz SPSVEDMRVOWUFR-STQMWFEESA-N 1 2 337.370 1.564 20 30 EDEDLO C[C@H](O)C[N@H+]1CCN(C(=O)C(F)(F)c2ccccc2C#N)C[C@@H]1C ZINC000900846662 592146499 /nfs/dbraw/zinc/14/64/99/592146499.db2.gz SPSVEDMRVOWUFR-STQMWFEESA-N 1 2 337.370 1.564 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000908026975 592272859 /nfs/dbraw/zinc/27/28/59/592272859.db2.gz CNLRJJNPLNAKCP-KRWDZBQOSA-N 1 2 326.444 1.224 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000908026975 592272864 /nfs/dbraw/zinc/27/28/64/592272864.db2.gz CNLRJJNPLNAKCP-KRWDZBQOSA-N 1 2 326.444 1.224 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000906756703 592316172 /nfs/dbraw/zinc/31/61/72/592316172.db2.gz PJESKFJNIARNHZ-KBPBESRZSA-N 1 2 337.489 1.993 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000907185600 592550013 /nfs/dbraw/zinc/55/00/13/592550013.db2.gz GSEYHJIPRKVGNS-GOEBONIOSA-N 1 2 334.441 1.152 20 30 EDEDLO C=CC[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)C(=O)OC ZINC000905777467 592636091 /nfs/dbraw/zinc/63/60/91/592636091.db2.gz FFPAAPOJOKHLLO-CYBMUJFWSA-N 1 2 327.421 1.832 20 30 EDEDLO C=CCC1(O)CCN(c2nnc([C@H]3C[N@H+](C)C[C@@H](C)O3)n2CC)CC1 ZINC000908831868 592636215 /nfs/dbraw/zinc/63/62/15/592636215.db2.gz XJIAJQABUPFTPR-HUUCEWRRSA-N 1 2 349.479 1.597 20 30 EDEDLO C=CCC1(O)CCN(c2nnc([C@H]3C[N@@H+](C)C[C@@H](C)O3)n2CC)CC1 ZINC000908831868 592636217 /nfs/dbraw/zinc/63/62/17/592636217.db2.gz XJIAJQABUPFTPR-HUUCEWRRSA-N 1 2 349.479 1.597 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cn(C)nn1 ZINC000905860842 592659682 /nfs/dbraw/zinc/65/96/82/592659682.db2.gz CPFTVZOFUYTNJD-OLZOCXBDSA-N 1 2 344.394 1.940 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000905867474 592661190 /nfs/dbraw/zinc/66/11/90/592661190.db2.gz ZCXAHXSTXSYAJL-VHSXEESVSA-N 1 2 344.444 1.915 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@]2(C#N)CC3CCC2CC3)CCN1C ZINC000907563800 592710640 /nfs/dbraw/zinc/71/06/40/592710640.db2.gz IPXKWXCHQAQIDP-GETDIDHLSA-N 1 2 341.459 1.955 20 30 EDEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1CCC[C@H](C#N)C1 ZINC000909298063 592793691 /nfs/dbraw/zinc/79/36/91/592793691.db2.gz UAQCCJHICHWQAY-OAGGEKHMSA-N 1 2 344.463 1.986 20 30 EDEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1CCC[C@H](C#N)C1 ZINC000909298063 592793693 /nfs/dbraw/zinc/79/36/93/592793693.db2.gz UAQCCJHICHWQAY-OAGGEKHMSA-N 1 2 344.463 1.986 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)Nc3cc(C#N)ccc3F)CC2)cn1 ZINC000888356591 593034797 /nfs/dbraw/zinc/03/47/97/593034797.db2.gz SSQBMUVYUSTUMT-UHFFFAOYSA-N 1 2 342.378 1.781 20 30 EDEDLO C#CCN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)C1CSC1 ZINC000912365717 593090374 /nfs/dbraw/zinc/09/03/74/593090374.db2.gz VMRKRSMEFVTQKI-UHFFFAOYSA-N 1 2 331.441 1.105 20 30 EDEDLO C#CCCCS(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000805008918 593326197 /nfs/dbraw/zinc/32/61/97/593326197.db2.gz JXJKOYIJZXLGMS-UHFFFAOYSA-N 1 2 349.500 1.484 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000840180362 593342951 /nfs/dbraw/zinc/34/29/51/593342951.db2.gz VKACJIDQJNAVQT-LJQANCHMSA-N 1 2 341.411 1.977 20 30 EDEDLO C=CCN1CCN(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000840180362 593342955 /nfs/dbraw/zinc/34/29/55/593342955.db2.gz VKACJIDQJNAVQT-LJQANCHMSA-N 1 2 341.411 1.977 20 30 EDEDLO N#CC[C@@H](O)C[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000809574082 593346675 /nfs/dbraw/zinc/34/66/75/593346675.db2.gz GITMCDNVLPNBLP-GFCCVEGCSA-N 1 2 331.185 1.657 20 30 EDEDLO N#CC[C@@H](O)C[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000809574082 593346677 /nfs/dbraw/zinc/34/66/77/593346677.db2.gz GITMCDNVLPNBLP-GFCCVEGCSA-N 1 2 331.185 1.657 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N=NC3CC4(CC4)C3)nc2)CC1 ZINC000814745957 593602009 /nfs/dbraw/zinc/60/20/09/593602009.db2.gz LNELAGBQLKPAKF-UHFFFAOYSA-N 1 2 349.460 1.360 20 30 EDEDLO CS(=O)(=O)CC1CCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1 ZINC000814886328 593605922 /nfs/dbraw/zinc/60/59/22/593605922.db2.gz YJDQCJLQSCXSDM-VNXPTHQBSA-N 1 2 326.466 1.437 20 30 EDEDLO Cc1cc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(C#N)c[nH+]1 ZINC000819925830 593777573 /nfs/dbraw/zinc/77/75/73/593777573.db2.gz SRWDLGCDJYQVRO-UHFFFAOYSA-N 1 2 337.383 1.803 20 30 EDEDLO O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000820150103 593795611 /nfs/dbraw/zinc/79/56/11/593795611.db2.gz VJZCZNFGVIJNCA-UKRRQHHQSA-N 1 2 346.431 1.600 20 30 EDEDLO C[C@@H](NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)c1[nH+]ccn1C ZINC000823787140 593858885 /nfs/dbraw/zinc/85/88/85/593858885.db2.gz LPIKVGCIAOMECY-DOMZBBRYSA-N 1 2 327.388 1.728 20 30 EDEDLO C#CCO[C@@H](C)C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000822757589 594096507 /nfs/dbraw/zinc/09/65/07/594096507.db2.gz GMEPKSRCXYPCDW-AWEZNQCLSA-N 1 2 348.447 1.835 20 30 EDEDLO N#Cc1ccc(F)c(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000823268937 594178467 /nfs/dbraw/zinc/17/84/67/594178467.db2.gz SWGYHDJXVJVIPU-QGZVFWFLSA-N 1 2 349.431 1.635 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826557733 594525678 /nfs/dbraw/zinc/52/56/78/594525678.db2.gz OXCVNYFFLWWOIM-IEBWSBKVSA-N 1 2 332.444 1.639 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826557733 594525680 /nfs/dbraw/zinc/52/56/80/594525680.db2.gz OXCVNYFFLWWOIM-IEBWSBKVSA-N 1 2 332.444 1.639 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831441577 594631156 /nfs/dbraw/zinc/63/11/56/594631156.db2.gz DHPLTFPPMKYKPF-KBXCAEBGSA-N 1 2 347.438 1.786 20 30 EDEDLO C[NH+]1CCN(C2CCN(C(=O)/C=C\c3ccccc3C#N)CC2)CC1 ZINC000827467288 594674865 /nfs/dbraw/zinc/67/48/65/594674865.db2.gz ATXAQZXMQJLYBS-SREVYHEPSA-N 1 2 338.455 1.810 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000831686866 594692579 /nfs/dbraw/zinc/69/25/79/594692579.db2.gz CDAVRYVHHWUUFQ-UHFFFAOYSA-N 1 2 347.390 1.563 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N(CC(C)C)CC(C)C)CC1 ZINC000831687069 594692605 /nfs/dbraw/zinc/69/26/05/594692605.db2.gz GOFDKLCXQCESHA-UHFFFAOYSA-N 1 2 337.464 1.906 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000831686905 594692670 /nfs/dbraw/zinc/69/26/70/594692670.db2.gz DIZIQMMJEJIPGF-CQSZACIVSA-N 1 2 341.411 1.743 20 30 EDEDLO N#CC1(CNC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CCCC1 ZINC000846052595 595131156 /nfs/dbraw/zinc/13/11/56/595131156.db2.gz HWYROJYRPOMMSF-UHFFFAOYSA-N 1 2 338.371 1.406 20 30 EDEDLO C[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C[C@H]1C(=O)OC(C)(C)C ZINC000842613686 595141929 /nfs/dbraw/zinc/14/19/29/595141929.db2.gz CJALKXZBVOAGJU-UKRRQHHQSA-N 1 2 331.416 1.977 20 30 EDEDLO C[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C[C@H]1C(=O)OC(C)(C)C ZINC000842613686 595141933 /nfs/dbraw/zinc/14/19/33/595141933.db2.gz CJALKXZBVOAGJU-UKRRQHHQSA-N 1 2 331.416 1.977 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000834576426 595167714 /nfs/dbraw/zinc/16/77/14/595167714.db2.gz SMTVMZQUNYVDHL-AWEZNQCLSA-N 1 2 328.416 1.026 20 30 EDEDLO C#CC1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000844047172 595257812 /nfs/dbraw/zinc/25/78/12/595257812.db2.gz NTCBVYDEHIHMSA-INIZCTEOSA-N 1 2 330.432 1.355 20 30 EDEDLO C#CC1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000844047172 595257814 /nfs/dbraw/zinc/25/78/14/595257814.db2.gz NTCBVYDEHIHMSA-INIZCTEOSA-N 1 2 330.432 1.355 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OC[C@@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000835197592 595277994 /nfs/dbraw/zinc/27/79/94/595277994.db2.gz UKROIQZCWWTSAK-ZNMIVQPWSA-N 1 2 339.432 1.927 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OC[C@@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000835197592 595277997 /nfs/dbraw/zinc/27/79/97/595277997.db2.gz UKROIQZCWWTSAK-ZNMIVQPWSA-N 1 2 339.432 1.927 20 30 EDEDLO CCN1C[C@H](C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)OC1=O ZINC000846850526 595326473 /nfs/dbraw/zinc/32/64/73/595326473.db2.gz JHVLWZHEMOHWAJ-IRXDYDNUSA-N 1 2 346.406 1.849 20 30 EDEDLO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)on1 ZINC000844370800 595332695 /nfs/dbraw/zinc/33/26/95/595332695.db2.gz UHTUNFLPFNCBPJ-IUODEOHRSA-N 1 2 328.372 1.847 20 30 EDEDLO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)on1 ZINC000844370800 595332697 /nfs/dbraw/zinc/33/26/97/595332697.db2.gz UHTUNFLPFNCBPJ-IUODEOHRSA-N 1 2 328.372 1.847 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](Cc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)C1 ZINC000847022063 595351883 /nfs/dbraw/zinc/35/18/83/595351883.db2.gz FEQLZAZTKPCDGS-ZDUSSCGKSA-N 1 2 343.431 1.481 20 30 EDEDLO C#C[C@H]1CCC[N@H+](Cc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)C1 ZINC000847022063 595351886 /nfs/dbraw/zinc/35/18/86/595351886.db2.gz FEQLZAZTKPCDGS-ZDUSSCGKSA-N 1 2 343.431 1.481 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCN(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000112920271 595563177 /nfs/dbraw/zinc/56/31/77/595563177.db2.gz YCKAQEICUWFGGF-UHFFFAOYSA-N 1 2 337.464 1.799 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 ZINC000112920454 595569297 /nfs/dbraw/zinc/56/92/97/595569297.db2.gz MNJSILHZKYUJFV-AWEZNQCLSA-N 1 2 347.365 1.095 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCN(c3cc(C)cc(C)c3)C2=O)CC1 ZINC000112920623 595569444 /nfs/dbraw/zinc/56/94/44/595569444.db2.gz FAJMBEAZQUJJJR-GOSISDBHSA-N 1 2 339.439 1.434 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000112921158 595570219 /nfs/dbraw/zinc/57/02/19/595570219.db2.gz NWQVXSIGPPAEJG-UHFFFAOYSA-N 1 2 349.475 1.991 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000855304207 595668032 /nfs/dbraw/zinc/66/80/32/595668032.db2.gz GQHBPTTWRZGXKF-DNVCBOLYSA-N 1 2 335.411 1.924 20 30 EDEDLO Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)nc1 ZINC000858033679 595687530 /nfs/dbraw/zinc/68/75/30/595687530.db2.gz VKDMKFFZPHKMCI-CRAIPNDOSA-N 1 2 328.416 1.652 20 30 EDEDLO Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)nc1 ZINC000858033679 595687532 /nfs/dbraw/zinc/68/75/32/595687532.db2.gz VKDMKFFZPHKMCI-CRAIPNDOSA-N 1 2 328.416 1.652 20 30 EDEDLO CC(N=Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1c[nH]c[nH+]1 ZINC000853288753 595728725 /nfs/dbraw/zinc/72/87/25/595728725.db2.gz PQRCLJUEXOPXBV-UHFFFAOYSA-N 1 2 334.405 1.425 20 30 EDEDLO CC(N=Nc1ccc(S(=O)(=O)N2CCCC2)cn1)c1c[nH+]c[nH]1 ZINC000853288753 595728726 /nfs/dbraw/zinc/72/87/26/595728726.db2.gz PQRCLJUEXOPXBV-UHFFFAOYSA-N 1 2 334.405 1.425 20 30 EDEDLO C[C@H]1CCCCN1[NH+]=Cc1c(Cl)nc(N)nc1N1CCOCC1 ZINC000853379160 595745888 /nfs/dbraw/zinc/74/58/88/595745888.db2.gz DQQSFGXXXWPUOK-NSHDSACASA-N 1 2 338.843 1.757 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000853423134 595749202 /nfs/dbraw/zinc/74/92/02/595749202.db2.gz WXNNIUNPTSFBDV-AWEZNQCLSA-N 1 2 342.399 1.347 20 30 EDEDLO N#Cc1c(=O)n(C[N@H+]2CCC3=C(CCC(=O)N3)C2)cc2c1CCCC2 ZINC000853519113 595780598 /nfs/dbraw/zinc/78/05/98/595780598.db2.gz CTJUJTUVLSEFRP-UHFFFAOYSA-N 1 2 338.411 1.426 20 30 EDEDLO N#Cc1c(=O)n(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)cc2c1CCCC2 ZINC000853519113 595780601 /nfs/dbraw/zinc/78/06/01/595780601.db2.gz CTJUJTUVLSEFRP-UHFFFAOYSA-N 1 2 338.411 1.426 20 30 EDEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000853526213 595785914 /nfs/dbraw/zinc/78/59/14/595785914.db2.gz OPWWEMOFJYFLRX-GFCCVEGCSA-N 1 2 346.412 1.622 20 30 EDEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000853526213 595785916 /nfs/dbraw/zinc/78/59/16/595785916.db2.gz OPWWEMOFJYFLRX-GFCCVEGCSA-N 1 2 346.412 1.622 20 30 EDEDLO C#CCC[N@@H+](CCOC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000853620947 595835022 /nfs/dbraw/zinc/83/50/22/595835022.db2.gz KRWABSUZNZKACK-UHFFFAOYSA-N 1 2 329.360 1.783 20 30 EDEDLO C#CCC[N@H+](CCOC)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000853620947 595835025 /nfs/dbraw/zinc/83/50/25/595835025.db2.gz KRWABSUZNZKACK-UHFFFAOYSA-N 1 2 329.360 1.783 20 30 EDEDLO N#CC1(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)CCCC1 ZINC000856605698 596032714 /nfs/dbraw/zinc/03/27/14/596032714.db2.gz OCZOZEMDOCIRNC-LSDHHAIUSA-N 1 2 326.400 1.447 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H]1CCCO1 ZINC000852258989 596106190 /nfs/dbraw/zinc/10/61/90/596106190.db2.gz CHUWTGKOVRYKHP-CVEARBPZSA-N 1 2 328.416 1.662 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000852651376 596219624 /nfs/dbraw/zinc/21/96/24/596219624.db2.gz AZPNASHAJXJLMM-KCXAZCMYSA-N 1 2 330.384 1.903 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000852651376 596219625 /nfs/dbraw/zinc/21/96/25/596219625.db2.gz AZPNASHAJXJLMM-KCXAZCMYSA-N 1 2 330.384 1.903 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC000852742543 596237091 /nfs/dbraw/zinc/23/70/91/596237091.db2.gz KEEFXGNEPXIQFU-UHFFFAOYSA-N 1 2 330.432 1.437 20 30 EDEDLO C=C(C)CS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@H]2C1 ZINC000867623922 596466737 /nfs/dbraw/zinc/46/67/37/596466737.db2.gz FFPBMXPHDWBEDZ-GJZGRUSLSA-N 1 2 337.445 1.397 20 30 EDEDLO C=C(C)CS(=O)(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000867769844 596539908 /nfs/dbraw/zinc/53/99/08/596539908.db2.gz DVHVOKDLTQGJPC-UHFFFAOYSA-N 1 2 332.466 1.288 20 30 EDEDLO N#C[C@@]1(C(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)CCCOC1 ZINC000871422710 596578614 /nfs/dbraw/zinc/57/86/14/596578614.db2.gz ATSLNWHMFPLXQC-QAPCUYQASA-N 1 2 326.400 1.713 20 30 EDEDLO CCO[C@H](CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000863456165 596590423 /nfs/dbraw/zinc/59/04/23/596590423.db2.gz ITOFSAOYKJLGRZ-GOSISDBHSA-N 1 2 347.459 1.971 20 30 EDEDLO N#C[C@]1(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)CCCOC1 ZINC000869914512 596675919 /nfs/dbraw/zinc/67/59/19/596675919.db2.gz BVPZTWSZJMEKPK-LJQANCHMSA-N 1 2 344.411 1.882 20 30 EDEDLO C#CCOCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000119746629 596734274 /nfs/dbraw/zinc/73/42/74/596734274.db2.gz OEAWYOLEYUDSKD-HUUCEWRRSA-N 1 2 331.416 1.351 20 30 EDEDLO Cc1cc(N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000865981961 596746793 /nfs/dbraw/zinc/74/67/93/596746793.db2.gz REIJAPXWLTYQJV-CQSZACIVSA-N 1 2 334.420 1.926 20 30 EDEDLO N#C[C@]1(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CCCOC1 ZINC000870131731 596764217 /nfs/dbraw/zinc/76/42/17/596764217.db2.gz RZUGMRZPJVOLKK-GOSISDBHSA-N 1 2 329.400 1.357 20 30 EDEDLO N#C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CCCOC1 ZINC000870131732 596764267 /nfs/dbraw/zinc/76/42/67/596764267.db2.gz RZUGMRZPJVOLKK-SFHVURJKSA-N 1 2 329.400 1.357 20 30 EDEDLO Cn1ncc2c1nc(N1CCN(c3ccc(C#N)cc3)CC1)[nH+]c2N ZINC000866211074 596829225 /nfs/dbraw/zinc/82/92/25/596829225.db2.gz GOQAZYJPCVBUFA-UHFFFAOYSA-N 1 2 334.387 1.144 20 30 EDEDLO C#CCN1C(=O)C[C@H]([N@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1=O ZINC000864351499 596864112 /nfs/dbraw/zinc/86/41/12/596864112.db2.gz SBDNFFKMHITBKL-AWEZNQCLSA-N 1 2 336.313 1.824 20 30 EDEDLO C#CCN1C(=O)C[C@H]([N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)C1=O ZINC000864351499 596864113 /nfs/dbraw/zinc/86/41/13/596864113.db2.gz SBDNFFKMHITBKL-AWEZNQCLSA-N 1 2 336.313 1.824 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C3CC3)n2Cc2cc(C)on2)CC1 ZINC000874034077 596902545 /nfs/dbraw/zinc/90/25/45/596902545.db2.gz OQYJPHDXPOTRHR-UHFFFAOYSA-N 1 2 326.404 1.255 20 30 EDEDLO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c(C#N)c1 ZINC000872451458 596913323 /nfs/dbraw/zinc/91/33/23/596913323.db2.gz IFLRQNCGCCEASD-AWEZNQCLSA-N 1 2 337.445 1.113 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000872471822 596924255 /nfs/dbraw/zinc/92/42/55/596924255.db2.gz OWQVQHBFBNXSOC-HZPDHXFCSA-N 1 2 349.456 1.086 20 30 EDEDLO C[N@H+](CCc1cccc(C#N)c1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000872705888 597039330 /nfs/dbraw/zinc/03/93/30/597039330.db2.gz GNICYUWLVRBCDM-GOSISDBHSA-N 1 2 326.400 1.711 20 30 EDEDLO C[N@@H+](CCc1cccc(C#N)c1)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000872705888 597039333 /nfs/dbraw/zinc/03/93/33/597039333.db2.gz GNICYUWLVRBCDM-GOSISDBHSA-N 1 2 326.400 1.711 20 30 EDEDLO C#CCN(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000876197110 597129886 /nfs/dbraw/zinc/12/98/86/597129886.db2.gz IKQYNOYIIROYIW-SFHVURJKSA-N 1 2 329.444 1.861 20 30 EDEDLO C#CCN(CC)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000876197110 597129889 /nfs/dbraw/zinc/12/98/89/597129889.db2.gz IKQYNOYIIROYIW-SFHVURJKSA-N 1 2 329.444 1.861 20 30 EDEDLO C=CCNC(=O)C[NH2+]Cc1cccc(F)c1I ZINC000873102668 597195430 /nfs/dbraw/zinc/19/54/30/597195430.db2.gz NCFHZFZNVKQPJY-UHFFFAOYSA-N 1 2 348.159 1.822 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000876441121 597206412 /nfs/dbraw/zinc/20/64/12/597206412.db2.gz RREZDUMVHBCWPO-BXWFABGCSA-N 1 2 349.475 1.093 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000876441121 597206415 /nfs/dbraw/zinc/20/64/15/597206415.db2.gz RREZDUMVHBCWPO-BXWFABGCSA-N 1 2 349.475 1.093 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000876556427 597239400 /nfs/dbraw/zinc/23/94/00/597239400.db2.gz RFDHWRCMRNZUPU-GFCCVEGCSA-N 1 2 347.850 1.391 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](C(=O)OCC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000873362359 597266177 /nfs/dbraw/zinc/26/61/77/597266177.db2.gz AXEHXPXMJGANLQ-MJGOQNOKSA-N 1 2 344.411 1.691 20 30 EDEDLO CC[N@H+]1CCO[C@@H](C(=O)OCC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000873362359 597266179 /nfs/dbraw/zinc/26/61/79/597266179.db2.gz AXEHXPXMJGANLQ-MJGOQNOKSA-N 1 2 344.411 1.691 20 30 EDEDLO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc(C#N)cnc3Cl)C2=O)cn1 ZINC000877046803 597421530 /nfs/dbraw/zinc/42/15/30/597421530.db2.gz OYKKZNSKNSTQFZ-CYBMUJFWSA-N 1 2 330.779 1.235 20 30 EDEDLO CO[C@H]1C[C@H]2CN(C(=O)NCCCC#N)Cc3ccc[nH+]c3N2C1 ZINC000875482037 597446733 /nfs/dbraw/zinc/44/67/33/597446733.db2.gz WAGVTNMONHDABP-GJZGRUSLSA-N 1 2 329.404 1.504 20 30 EDEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2sccc2CC#N)[C@@H](C)C1 ZINC000875527328 597465713 /nfs/dbraw/zinc/46/57/13/597465713.db2.gz BKNPMBXHVHQUJQ-LBPRGKRZSA-N 1 2 335.429 1.524 20 30 EDEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2sccc2CC#N)[C@@H](C)C1 ZINC000875527328 597465716 /nfs/dbraw/zinc/46/57/16/597465716.db2.gz BKNPMBXHVHQUJQ-LBPRGKRZSA-N 1 2 335.429 1.524 20 30 EDEDLO C=CC[C@@H](C(=O)OC)[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000878515202 597619741 /nfs/dbraw/zinc/61/97/41/597619741.db2.gz MEKZZWWTDGOMTR-ZDUSSCGKSA-N 1 2 342.436 1.456 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1C#N ZINC000879534515 597622647 /nfs/dbraw/zinc/62/26/47/597622647.db2.gz ROVRHIXTKUECJP-IYBDPMFKSA-N 1 2 349.394 1.099 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c1C#N ZINC000879534515 597622648 /nfs/dbraw/zinc/62/26/48/597622648.db2.gz ROVRHIXTKUECJP-IYBDPMFKSA-N 1 2 349.394 1.099 20 30 EDEDLO Cc1ccc(NC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000879001838 597781445 /nfs/dbraw/zinc/78/14/45/597781445.db2.gz JWIDTEGPDQPONS-OKILXGFUSA-N 1 2 330.436 1.906 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)CCC1(F)F ZINC000879369136 597902389 /nfs/dbraw/zinc/90/23/89/597902389.db2.gz DJOVNDGGBGEWFH-LBPRGKRZSA-N 1 2 331.363 1.269 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)CCC1(F)F ZINC000879369136 597902390 /nfs/dbraw/zinc/90/23/90/597902390.db2.gz DJOVNDGGBGEWFH-LBPRGKRZSA-N 1 2 331.363 1.269 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)COCCO3)c(C#N)c1C ZINC000880544905 597960352 /nfs/dbraw/zinc/96/03/52/597960352.db2.gz NHBUBHNINFPXLR-CYBMUJFWSA-N 1 2 347.415 1.977 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000884056038 597980679 /nfs/dbraw/zinc/98/06/79/597980679.db2.gz JAHCFNLGECCZAO-HOTGVXAUSA-N 1 2 332.400 1.805 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1c[nH]c2cc(Cl)ccc12 ZINC000884107762 597996852 /nfs/dbraw/zinc/99/68/52/597996852.db2.gz FEWWVJMZHSQJBE-AWEZNQCLSA-N 1 2 349.818 1.927 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](c1ccccc1)C1CCOCC1 ZINC000884143429 598006745 /nfs/dbraw/zinc/00/67/45/598006745.db2.gz HRELXKCHCVIASW-FUHWJXTLSA-N 1 2 346.427 1.717 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)c1ccc(F)c(F)c1 ZINC000884160112 598010718 /nfs/dbraw/zinc/01/07/18/598010718.db2.gz UMOIDYHZCMTXJB-ZDUSSCGKSA-N 1 2 326.343 1.763 20 30 EDEDLO Cc1cc(F)c(C#N)cc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000880986256 598046081 /nfs/dbraw/zinc/04/60/81/598046081.db2.gz LVEIPYCIKZRWAE-CQSZACIVSA-N 1 2 332.379 1.944 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000884332831 598070971 /nfs/dbraw/zinc/07/09/71/598070971.db2.gz XGJJUKVJJWLNHC-DCGLDWPTSA-N 1 2 346.427 1.976 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](Cc3ccccc3N(C)C)C2)cn1 ZINC001031279022 696109223 /nfs/dbraw/zinc/10/92/23/696109223.db2.gz KNFRBYZHZRMQNB-UHFFFAOYSA-N 1 2 334.423 1.743 20 30 EDEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)[C@H]1C ZINC000993496619 696176330 /nfs/dbraw/zinc/17/63/30/696176330.db2.gz IOUMMZWJFZAWHV-DZGCQCFKSA-N 1 2 331.416 1.319 20 30 EDEDLO C=CCOc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)[C@H]1C ZINC000993496619 696176332 /nfs/dbraw/zinc/17/63/32/696176332.db2.gz IOUMMZWJFZAWHV-DZGCQCFKSA-N 1 2 331.416 1.319 20 30 EDEDLO C=CCOc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)[C@@H]1C ZINC000993499297 696178563 /nfs/dbraw/zinc/17/85/63/696178563.db2.gz ONMJYNXYUWAPHP-ZBFHGGJFSA-N 1 2 345.443 1.580 20 30 EDEDLO C=CCOc1ccccc1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC)[C@@H]1C ZINC000993499297 696178566 /nfs/dbraw/zinc/17/85/66/696178566.db2.gz ONMJYNXYUWAPHP-ZBFHGGJFSA-N 1 2 345.443 1.580 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)[C@@H]1C ZINC000993524378 696204129 /nfs/dbraw/zinc/20/41/29/696204129.db2.gz SUISSIIALJLWLE-JQWIXIFHSA-N 1 2 349.822 1.999 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)[C@@H]1C ZINC000993524378 696204132 /nfs/dbraw/zinc/20/41/32/696204132.db2.gz SUISSIIALJLWLE-JQWIXIFHSA-N 1 2 349.822 1.999 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000994205297 696579519 /nfs/dbraw/zinc/57/95/19/696579519.db2.gz JEYKNUJJDWXVGD-ZIAGYGMSSA-N 1 2 339.399 1.142 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000994205297 696579520 /nfs/dbraw/zinc/57/95/20/696579520.db2.gz JEYKNUJJDWXVGD-ZIAGYGMSSA-N 1 2 339.399 1.142 20 30 EDEDLO NS(=O)(=O)c1ccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000917022689 696878877 /nfs/dbraw/zinc/87/88/77/696878877.db2.gz RCOKSZOVFQRUAW-UHFFFAOYSA-N 1 2 341.396 1.966 20 30 EDEDLO C#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001060719449 697182204 /nfs/dbraw/zinc/18/22/04/697182204.db2.gz FUEXEJOZKPNLHW-WKILWMFISA-N 1 2 344.459 1.937 20 30 EDEDLO Cc1ncncc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031559517 697247996 /nfs/dbraw/zinc/24/79/96/697247996.db2.gz PIVCETQGSLFTFJ-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2ccon2)C1 ZINC001031561611 697251508 /nfs/dbraw/zinc/25/15/08/697251508.db2.gz WGEPYIXDKUOMQR-UHFFFAOYSA-N 1 2 326.356 1.417 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)nn1C ZINC001031569270 697264387 /nfs/dbraw/zinc/26/43/87/697264387.db2.gz BIBTWWXKCQCKHI-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000994605013 697267505 /nfs/dbraw/zinc/26/75/05/697267505.db2.gz WCVWWDYSDAVJNX-CYBMUJFWSA-N 1 2 328.416 1.129 20 30 EDEDLO COC(=O)[C@@H]1C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031577660 697273941 /nfs/dbraw/zinc/27/39/41/697273941.db2.gz CPCMLLHMIFPPTO-HUUCEWRRSA-N 1 2 345.374 1.054 20 30 EDEDLO CC[N@H+]1[C@H](C)CN(S(=O)(=O)c2ccc(C#N)cc2OC)C[C@@H]1C ZINC000919581100 697300158 /nfs/dbraw/zinc/30/01/58/697300158.db2.gz VHEXYXIBNAUEHF-BETUJISGSA-N 1 2 337.445 1.670 20 30 EDEDLO CC[N@@H+]1[C@H](C)CN(S(=O)(=O)c2ccc(C#N)cc2OC)C[C@@H]1C ZINC000919581100 697300159 /nfs/dbraw/zinc/30/01/59/697300159.db2.gz VHEXYXIBNAUEHF-BETUJISGSA-N 1 2 337.445 1.670 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)ncn1 ZINC001031619721 697337974 /nfs/dbraw/zinc/33/79/74/697337974.db2.gz JYDBOFVNERMFMB-UHFFFAOYSA-N 1 2 338.386 1.637 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)cnn1 ZINC001031635042 697379667 /nfs/dbraw/zinc/37/96/67/697379667.db2.gz MGXYDEZPYTTXCY-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001060740072 697379820 /nfs/dbraw/zinc/37/98/20/697379820.db2.gz RNVOHAFFUNFQAC-KBUPBQIOSA-N 1 2 345.447 1.539 20 30 EDEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001060740072 697379822 /nfs/dbraw/zinc/37/98/22/697379822.db2.gz RNVOHAFFUNFQAC-KBUPBQIOSA-N 1 2 345.447 1.539 20 30 EDEDLO CCn1nncc1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031654921 697420817 /nfs/dbraw/zinc/42/08/17/697420817.db2.gz OBERRFLSMBFODJ-UHFFFAOYSA-N 1 2 342.378 1.171 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC001031694133 697546078 /nfs/dbraw/zinc/54/60/78/697546078.db2.gz HMZFTWBZKXVJIA-HNNXBMFYSA-N 1 2 339.867 1.436 20 30 EDEDLO C=CCOCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060749933 697728000 /nfs/dbraw/zinc/72/80/00/697728000.db2.gz GIFDXRGHCUNDQG-SHTZXODSSA-N 1 2 348.447 1.336 20 30 EDEDLO C=CCOCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060749933 697728001 /nfs/dbraw/zinc/72/80/01/697728001.db2.gz GIFDXRGHCUNDQG-SHTZXODSSA-N 1 2 348.447 1.336 20 30 EDEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001060753294 697950854 /nfs/dbraw/zinc/95/08/54/697950854.db2.gz FGZAFHRGIZYSEK-KJWHEZOQSA-N 1 2 343.431 1.464 20 30 EDEDLO C[C@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001060753294 697950855 /nfs/dbraw/zinc/95/08/55/697950855.db2.gz FGZAFHRGIZYSEK-KJWHEZOQSA-N 1 2 343.431 1.464 20 30 EDEDLO N#Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c[nH]1 ZINC000940095176 700204559 /nfs/dbraw/zinc/20/45/59/700204559.db2.gz MHKZMWNEOSHARX-CYBMUJFWSA-N 1 2 348.366 1.407 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000994844415 698239262 /nfs/dbraw/zinc/23/92/62/698239262.db2.gz HFCGEEWENRUUAP-UHFFFAOYSA-N 1 2 332.448 1.856 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC000938654370 698429085 /nfs/dbraw/zinc/42/90/85/698429085.db2.gz VNRJHABXWBOTNT-INIZCTEOSA-N 1 2 344.459 1.816 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)C[C@H]2C)nn1 ZINC000943495471 698439413 /nfs/dbraw/zinc/43/94/13/698439413.db2.gz DMURURUZRABKFT-DOMZBBRYSA-N 1 2 344.419 1.401 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)C[C@H]2C)nn1 ZINC000943495471 698439417 /nfs/dbraw/zinc/43/94/17/698439417.db2.gz DMURURUZRABKFT-DOMZBBRYSA-N 1 2 344.419 1.401 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000943764179 698849848 /nfs/dbraw/zinc/84/98/48/698849848.db2.gz GPKJVDVCCRNKEM-TUVASFSCSA-N 1 2 346.431 1.087 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3cn[nH]c(=O)c3)C2)c1 ZINC001031751115 698938535 /nfs/dbraw/zinc/93/85/35/698938535.db2.gz RVJZMPVLMCINOC-UHFFFAOYSA-N 1 2 341.346 1.055 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cn[nH]c(=O)c3)C2)c(F)c1 ZINC001031750827 698951599 /nfs/dbraw/zinc/95/15/99/698951599.db2.gz INKLBMZKYSYSNI-UHFFFAOYSA-N 1 2 341.346 1.055 20 30 EDEDLO C=CCOc1cccnc1C(=O)NCC1C[NH+](Cc2cc(C)no2)C1 ZINC001032115366 698970927 /nfs/dbraw/zinc/97/09/27/698970927.db2.gz XKECFMBNZADGNR-UHFFFAOYSA-N 1 2 342.399 1.805 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCN(C3C[NH+](C[C@H](F)CC)C3)CC2)cc1 ZINC000941512412 701565700 /nfs/dbraw/zinc/56/57/00/701565700.db2.gz GVSRAXNQPUFWPP-GOSISDBHSA-N 1 2 343.446 1.858 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC000941539300 701569920 /nfs/dbraw/zinc/56/99/20/701569920.db2.gz VLZVGAVQHFGHFE-UHFFFAOYSA-N 1 2 335.810 1.554 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CO[C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000941592926 701586407 /nfs/dbraw/zinc/58/64/07/701586407.db2.gz LRRXKMDBZIGQEN-AEFFLSMTSA-N 1 2 333.476 1.043 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccc(OC)c3C)CC2)C1 ZINC000941584563 701590212 /nfs/dbraw/zinc/59/02/12/701590212.db2.gz BYYOCHJGIQODSM-UHFFFAOYSA-N 1 2 341.455 1.469 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cn(C(C)C)nc3C)CC2)C1 ZINC000941636887 701602137 /nfs/dbraw/zinc/60/21/37/701602137.db2.gz XILAARWIWSLRMJ-UHFFFAOYSA-N 1 2 343.475 1.238 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3coc(C4CCCC4)n3)CC2)C1 ZINC000941620412 701603893 /nfs/dbraw/zinc/60/38/93/701603893.db2.gz GNSSKKBPAATXSL-UHFFFAOYSA-N 1 2 342.443 1.407 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3ccc(CC)cc3)CC2)C1 ZINC000941661957 701607593 /nfs/dbraw/zinc/60/75/93/701607593.db2.gz OBVPZLDCCAVKCZ-UHFFFAOYSA-N 1 2 339.483 1.643 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@]3(C)CCC(C)=C(C)C3)CC2)C1 ZINC000941682075 701626601 /nfs/dbraw/zinc/62/66/01/701626601.db2.gz FDOGYKYQMQAXPX-HXUWFJFHSA-N 1 2 329.488 1.975 20 30 EDEDLO C=C(Cl)CN1CC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031875776 700386331 /nfs/dbraw/zinc/38/63/31/700386331.db2.gz AZVPJTDBBKRMFK-INIZCTEOSA-N 1 2 341.883 1.288 20 30 EDEDLO C=C(Cl)CN1CC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031875776 700386336 /nfs/dbraw/zinc/38/63/36/700386336.db2.gz AZVPJTDBBKRMFK-INIZCTEOSA-N 1 2 341.883 1.288 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)C1 ZINC000945512464 700395860 /nfs/dbraw/zinc/39/58/60/700395860.db2.gz JVEHGPVJFHPVJK-HIFRSBDPSA-N 1 2 330.432 1.662 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cc(OC)ns3)C2)cc1 ZINC001031892944 700692719 /nfs/dbraw/zinc/69/27/19/700692719.db2.gz ZOSFZTZLYQLLDQ-UHFFFAOYSA-N 1 2 341.436 1.995 20 30 EDEDLO COc1ccnc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c1 ZINC001031894441 700705673 /nfs/dbraw/zinc/70/56/73/700705673.db2.gz QHTCZLAQAVYYLD-UHFFFAOYSA-N 1 2 336.395 1.824 20 30 EDEDLO CC1(C)C[N@H+](Cc2ncccn2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940656553 700818888 /nfs/dbraw/zinc/81/88/88/700818888.db2.gz DQFYAGXGBBODSE-HNNXBMFYSA-N 1 2 338.415 1.707 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ncccn2)CC[C@@H]1NC(=O)c1cc(C#N)c[nH]1 ZINC000940656553 700818891 /nfs/dbraw/zinc/81/88/91/700818891.db2.gz DQFYAGXGBBODSE-HNNXBMFYSA-N 1 2 338.415 1.707 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000945999511 701344371 /nfs/dbraw/zinc/34/43/71/701344371.db2.gz AOPZMHPDAMIKCT-CABCVRRESA-N 1 2 330.432 1.545 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCN(C2C[NH+]([C@@H](C)c3ccccc3F)C2)CC1 ZINC000941338746 701477520 /nfs/dbraw/zinc/47/75/20/701477520.db2.gz HHMGLCOWUBZDOD-GJZGRUSLSA-N 1 2 344.434 1.875 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCN(C2C[NH+](Cc3ccc(F)cc3)C2)CC1 ZINC000941344332 701480424 /nfs/dbraw/zinc/48/04/24/701480424.db2.gz HEYDSHFGHOCTRN-AWEZNQCLSA-N 1 2 330.407 1.314 20 30 EDEDLO CCn1cnc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001032132386 701866670 /nfs/dbraw/zinc/86/66/70/701866670.db2.gz WCJRCFHRSXVLJG-UHFFFAOYSA-N 1 2 341.390 1.776 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999196143 706639340 /nfs/dbraw/zinc/63/93/40/706639340.db2.gz XAHUDPMMELLXBG-KFWWJZLASA-N 1 2 334.420 1.440 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000944088985 702195197 /nfs/dbraw/zinc/19/51/97/702195197.db2.gz ZTYFCYNEANNJCB-OAGGEKHMSA-N 1 2 346.431 1.041 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000944088985 702195202 /nfs/dbraw/zinc/19/52/02/702195202.db2.gz ZTYFCYNEANNJCB-OAGGEKHMSA-N 1 2 346.431 1.041 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2nccn3ccnc23)C1 ZINC001031985166 702367598 /nfs/dbraw/zinc/36/75/98/702367598.db2.gz PCFAHWHYWGUCSQ-UHFFFAOYSA-N 1 2 346.394 1.463 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)C[C@@H]2C)nc1 ZINC000944192317 702484392 /nfs/dbraw/zinc/48/43/92/702484392.db2.gz KBRYDYFKMAQNAM-WFASDCNBSA-N 1 2 325.372 1.086 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)C[C@@H]2C)nc1 ZINC000944192317 702484394 /nfs/dbraw/zinc/48/43/94/702484394.db2.gz KBRYDYFKMAQNAM-WFASDCNBSA-N 1 2 325.372 1.086 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nonc3C)C[C@H]2C)cn1 ZINC000944213327 702541568 /nfs/dbraw/zinc/54/15/68/702541568.db2.gz CVVZRQOXLARQNP-WBMJQRKESA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nonc3C)C[C@H]2C)cn1 ZINC000944213327 702541573 /nfs/dbraw/zinc/54/15/73/702541573.db2.gz CVVZRQOXLARQNP-WBMJQRKESA-N 1 2 339.399 1.395 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2-c2ccccn2)[C@@H](C)C1 ZINC000942116176 702619019 /nfs/dbraw/zinc/61/90/19/702619019.db2.gz GXCLWKYXTSIKSY-GOEBONIOSA-N 1 2 337.427 1.935 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2-c2ccccn2)[C@@H](C)C1 ZINC000942116176 702619020 /nfs/dbraw/zinc/61/90/20/702619020.db2.gz GXCLWKYXTSIKSY-GOEBONIOSA-N 1 2 337.427 1.935 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cn(C)nc1C ZINC001032676807 706696811 /nfs/dbraw/zinc/69/68/11/706696811.db2.gz FYKAIFBIBFIVOG-XSLAGTTESA-N 1 2 344.459 1.495 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cn(C)nc1C ZINC001032676807 706696813 /nfs/dbraw/zinc/69/68/13/706696813.db2.gz FYKAIFBIBFIVOG-XSLAGTTESA-N 1 2 344.459 1.495 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)C1 ZINC000942364591 702875132 /nfs/dbraw/zinc/87/51/32/702875132.db2.gz HURLXNQMZFFCPA-UONOGXRCSA-N 1 2 330.432 1.662 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)C1 ZINC000942364591 702875133 /nfs/dbraw/zinc/87/51/33/702875133.db2.gz HURLXNQMZFFCPA-UONOGXRCSA-N 1 2 330.432 1.662 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C[C@H]2C)cc1 ZINC000942553238 703065152 /nfs/dbraw/zinc/06/51/52/703065152.db2.gz NKHYPMYBAJSQPR-CXAGYDPISA-N 1 2 337.427 1.735 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)[nH]3)C[C@H]2C)cc1 ZINC000942553238 703065155 /nfs/dbraw/zinc/06/51/55/703065155.db2.gz NKHYPMYBAJSQPR-CXAGYDPISA-N 1 2 337.427 1.735 20 30 EDEDLO C#CCOc1ccc(C(=O)NCC2C[NH+](Cc3cncn3C)C2)cc1 ZINC001032032660 703092038 /nfs/dbraw/zinc/09/20/38/703092038.db2.gz GIMSKTQEXGPSMP-UHFFFAOYSA-N 1 2 338.411 1.294 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](N(CC)C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000942719197 703233676 /nfs/dbraw/zinc/23/36/76/703233676.db2.gz ITOGEBHVPJLNFT-HZPDHXFCSA-N 1 2 349.475 1.123 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](N(CC)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000942719197 703233677 /nfs/dbraw/zinc/23/36/77/703233677.db2.gz ITOGEBHVPJLNFT-HZPDHXFCSA-N 1 2 349.475 1.123 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCn2ccnn2)s1 ZINC001032374734 703328952 /nfs/dbraw/zinc/32/89/52/703328952.db2.gz ICMQAIZRIIBXOJ-STQMWFEESA-N 1 2 342.428 1.087 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCn2ccnn2)s1 ZINC001032374734 703328956 /nfs/dbraw/zinc/32/89/56/703328956.db2.gz ICMQAIZRIIBXOJ-STQMWFEESA-N 1 2 342.428 1.087 20 30 EDEDLO CCN(C(=O)c1cccc2[nH+]ccn21)[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000942863690 703376715 /nfs/dbraw/zinc/37/67/15/703376715.db2.gz COCKPPJIPQODFN-KGLIPLIRSA-N 1 2 339.399 1.557 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001032423348 703583198 /nfs/dbraw/zinc/58/31/98/703583198.db2.gz JKADHLPOBHFVLV-QWRGUYRKSA-N 1 2 326.322 1.361 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001032423348 703583200 /nfs/dbraw/zinc/58/32/00/703583200.db2.gz JKADHLPOBHFVLV-QWRGUYRKSA-N 1 2 326.322 1.361 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(NC(=O)CC)c1 ZINC001032431915 703598872 /nfs/dbraw/zinc/59/88/72/703598872.db2.gz IUQLLYOZKNPUGX-IRXDYDNUSA-N 1 2 325.412 1.957 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(NC(=O)CC)c1 ZINC001032431915 703598873 /nfs/dbraw/zinc/59/88/73/703598873.db2.gz IUQLLYOZKNPUGX-IRXDYDNUSA-N 1 2 325.412 1.957 20 30 EDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@@H]1CCN(CC#N)C1 ZINC001033085327 704148876 /nfs/dbraw/zinc/14/88/76/704148876.db2.gz SFNBAYNFXGKFRT-BZUAXINKSA-N 1 2 327.432 1.210 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033088603 704164202 /nfs/dbraw/zinc/16/42/02/704164202.db2.gz PIWZDLFMRBMIKE-XHSDSOJGSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033088603 704164203 /nfs/dbraw/zinc/16/42/03/704164203.db2.gz PIWZDLFMRBMIKE-XHSDSOJGSA-N 1 2 333.432 1.997 20 30 EDEDLO C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001004376240 704351629 /nfs/dbraw/zinc/35/16/29/704351629.db2.gz NYBIYDHMHAWDJJ-YUELXQCFSA-N 1 2 330.432 1.423 20 30 EDEDLO Cc1c(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)cnn1C ZINC001004445103 704427548 /nfs/dbraw/zinc/42/75/48/704427548.db2.gz DPCMFQGUMNPTIP-KRWDZBQOSA-N 1 2 329.448 1.498 20 30 EDEDLO Cc1c(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)cnn1C ZINC001004445103 704427550 /nfs/dbraw/zinc/42/75/50/704427550.db2.gz DPCMFQGUMNPTIP-KRWDZBQOSA-N 1 2 329.448 1.498 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC001004456286 704449562 /nfs/dbraw/zinc/44/95/62/704449562.db2.gz GYQWOYNVIIHLHT-OAHLLOKOSA-N 1 2 329.404 1.116 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc3n(n2)CCO3)CC1 ZINC001004456286 704449564 /nfs/dbraw/zinc/44/95/64/704449564.db2.gz GYQWOYNVIIHLHT-OAHLLOKOSA-N 1 2 329.404 1.116 20 30 EDEDLO C=C1CCC(C(=O)NC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)CC1 ZINC000944758954 704614704 /nfs/dbraw/zinc/61/47/04/704614704.db2.gz IJMJPLCVAOXJPG-HNNXBMFYSA-N 1 2 346.431 1.042 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC000945025263 704950667 /nfs/dbraw/zinc/95/06/67/704950667.db2.gz HJERQMFESZJGKN-UHFFFAOYSA-N 1 2 330.432 1.615 20 30 EDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)[C@H](C)C1 ZINC000945179456 705211355 /nfs/dbraw/zinc/21/13/55/705211355.db2.gz JIQIISIEZZZZPK-ZBFHGGJFSA-N 1 2 337.427 1.935 20 30 EDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)[C@H](C)C1 ZINC000945179456 705211357 /nfs/dbraw/zinc/21/13/57/705211357.db2.gz JIQIISIEZZZZPK-ZBFHGGJFSA-N 1 2 337.427 1.935 20 30 EDEDLO CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCCN(CC#N)CC1 ZINC000998125793 705383164 /nfs/dbraw/zinc/38/31/64/705383164.db2.gz KRJRYYXWQFRYRC-ARFHVFGLSA-N 1 2 329.448 1.750 20 30 EDEDLO CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1[NH2+]Cc1cnsn1 ZINC000995691053 705541508 /nfs/dbraw/zinc/54/15/08/705541508.db2.gz RVKGDIHGKMFZEI-CYBMUJFWSA-N 1 2 330.417 1.378 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C ZINC000945317145 705560009 /nfs/dbraw/zinc/56/00/09/705560009.db2.gz LXVOAMTZMCWESP-DOMZBBRYSA-N 1 2 328.416 1.027 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C(F)(F)F)[C@H](NCC#N)C1 ZINC000998299882 705703785 /nfs/dbraw/zinc/70/37/85/705703785.db2.gz CYVVDWPRVWLTNG-CMPLNLGQSA-N 1 2 329.326 1.153 20 30 EDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)C1CC(NCC#N)C1 ZINC000998787694 706228291 /nfs/dbraw/zinc/22/82/91/706228291.db2.gz KJYNXODHAZEYLV-PRLABOORSA-N 1 2 327.432 1.256 20 30 EDEDLO CC(C)(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)o1 ZINC000999119010 706545136 /nfs/dbraw/zinc/54/51/36/706545136.db2.gz YWMKVTVOQGCOQG-CQSZACIVSA-N 1 2 330.432 1.861 20 30 EDEDLO O=C(C#CC1CC1)N1CCC[C@@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC000999138542 706551721 /nfs/dbraw/zinc/55/17/21/706551721.db2.gz QIFRLBSQCAVPDI-OAHLLOKOSA-N 1 2 328.416 1.516 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001033243910 707204489 /nfs/dbraw/zinc/20/44/89/707204489.db2.gz LOKFMQCSDVGJGW-LSDHHAIUSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN(C(C)=O)C2)C1 ZINC001033243910 707204495 /nfs/dbraw/zinc/20/44/95/707204495.db2.gz LOKFMQCSDVGJGW-LSDHHAIUSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(CCOC)n2)C1 ZINC001033252497 707220285 /nfs/dbraw/zinc/22/02/85/707220285.db2.gz ICHLBLZAOCKBCV-CYBMUJFWSA-N 1 2 326.828 1.428 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CCOC)n2)C1 ZINC001033252497 707220289 /nfs/dbraw/zinc/22/02/89/707220289.db2.gz ICHLBLZAOCKBCV-CYBMUJFWSA-N 1 2 326.828 1.428 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)C2CC([NH2+][C@@H](C)c3noc(C)n3)C2)nc1 ZINC000999705216 707295140 /nfs/dbraw/zinc/29/51/40/707295140.db2.gz FGPMZSKOQRPXRL-QGLTVNCISA-N 1 2 339.399 1.708 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[C@@H]3C)C2)c1 ZINC001033327433 707540227 /nfs/dbraw/zinc/54/02/27/707540227.db2.gz INMFCHXLECEZIU-WBAXXEDZSA-N 1 2 339.439 1.795 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[C@@H]3C)C2)c1 ZINC001033327433 707540229 /nfs/dbraw/zinc/54/02/29/707540229.db2.gz INMFCHXLECEZIU-WBAXXEDZSA-N 1 2 339.439 1.795 20 30 EDEDLO C=CCCOCC(=O)N(C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001067689877 707690093 /nfs/dbraw/zinc/69/00/93/707690093.db2.gz WLFTYZRGBIAUTQ-UHFFFAOYSA-N 1 2 336.436 1.173 20 30 EDEDLO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001033469863 707930366 /nfs/dbraw/zinc/93/03/66/707930366.db2.gz RPZNFQMZRJZYDC-LBPRGKRZSA-N 1 2 326.418 1.406 20 30 EDEDLO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001033469863 707930369 /nfs/dbraw/zinc/93/03/69/707930369.db2.gz RPZNFQMZRJZYDC-LBPRGKRZSA-N 1 2 326.418 1.406 20 30 EDEDLO C=CCCC(=O)N1CC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001060939884 707996009 /nfs/dbraw/zinc/99/60/09/707996009.db2.gz JMOVOYGAEACJQV-UHFFFAOYSA-N 1 2 344.459 1.770 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CNc2cnc(C#N)cn2)C1 ZINC001061004681 708151161 /nfs/dbraw/zinc/15/11/61/708151161.db2.gz QMRULWOZTYROHF-OLZOCXBDSA-N 1 2 339.403 1.211 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CNc2cnc(C#N)cn2)C1 ZINC001061004681 708151163 /nfs/dbraw/zinc/15/11/63/708151163.db2.gz QMRULWOZTYROHF-OLZOCXBDSA-N 1 2 339.403 1.211 20 30 EDEDLO CC(C)(C)C#CC(=O)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001061006995 708160509 /nfs/dbraw/zinc/16/05/09/708160509.db2.gz MLUBSDBZSDVGEK-UHFFFAOYSA-N 1 2 342.443 1.384 20 30 EDEDLO N#Cc1cnc(NC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)c(F)c1 ZINC001061016962 708181584 /nfs/dbraw/zinc/18/15/84/708181584.db2.gz FCVYXHRVOZSTIQ-LBPRGKRZSA-N 1 2 342.378 1.709 20 30 EDEDLO N#Cc1cnc(NC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)c(F)c1 ZINC001061016962 708181587 /nfs/dbraw/zinc/18/15/87/708181587.db2.gz FCVYXHRVOZSTIQ-LBPRGKRZSA-N 1 2 342.378 1.709 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001033576695 708251674 /nfs/dbraw/zinc/25/16/74/708251674.db2.gz JRYZIKPGRDHYFX-LLVKDONJSA-N 1 2 335.795 1.334 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001033576695 708251677 /nfs/dbraw/zinc/25/16/77/708251677.db2.gz JRYZIKPGRDHYFX-LLVKDONJSA-N 1 2 335.795 1.334 20 30 EDEDLO C=C1CCC(C(=O)NCC2CC[NH+](Cc3nnnn3C)CC2)CC1 ZINC001001792338 708306725 /nfs/dbraw/zinc/30/67/25/708306725.db2.gz IVNBZLNQTDKVCN-UHFFFAOYSA-N 1 2 332.452 1.285 20 30 EDEDLO N#Cc1ccc(NC[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)nn1 ZINC001061025144 708314517 /nfs/dbraw/zinc/31/45/17/708314517.db2.gz LSFUKSZPJIMVJH-LBPRGKRZSA-N 1 2 347.382 1.799 20 30 EDEDLO Cc1nnc([C@@H](C)[NH+]2CCC(N(C)C(=O)c3ccc(C#N)[nH]3)CC2)[nH]1 ZINC001005260036 708417356 /nfs/dbraw/zinc/41/73/56/708417356.db2.gz MTWVEJXPOWCYIZ-LLVKDONJSA-N 1 2 341.419 1.611 20 30 EDEDLO CCn1ccc(C[NH+]2CCC(N(C)C(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001005261967 708426147 /nfs/dbraw/zinc/42/61/47/708426147.db2.gz YFNISWWBWLHPCN-UHFFFAOYSA-N 1 2 340.431 1.839 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033707385 708539904 /nfs/dbraw/zinc/53/99/04/708539904.db2.gz ZMKAJCQMMHYXKG-HNNXBMFYSA-N 1 2 325.372 1.596 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033707385 708539908 /nfs/dbraw/zinc/53/99/08/708539908.db2.gz ZMKAJCQMMHYXKG-HNNXBMFYSA-N 1 2 325.372 1.596 20 30 EDEDLO CCN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033887602 708996511 /nfs/dbraw/zinc/99/65/11/708996511.db2.gz IWDHQBZMIBQYRH-CQSZACIVSA-N 1 2 342.378 1.552 20 30 EDEDLO CCN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033887602 708996515 /nfs/dbraw/zinc/99/65/15/708996515.db2.gz IWDHQBZMIBQYRH-CQSZACIVSA-N 1 2 342.378 1.552 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cc(=O)n(C)o2)CC1 ZINC001002692806 709287238 /nfs/dbraw/zinc/28/72/38/709287238.db2.gz KMUBRRCICWFGTF-UHFFFAOYSA-N 1 2 344.209 1.081 20 30 EDEDLO C=C[C@H](C)[C@H](C)C(=O)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001061146594 709390097 /nfs/dbraw/zinc/39/00/97/709390097.db2.gz IJNMLNBBAOHAQZ-GJZGRUSLSA-N 1 2 344.459 1.861 20 30 EDEDLO C[C@@H](c1nncn1C)[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034163810 709436800 /nfs/dbraw/zinc/43/68/00/709436800.db2.gz BHHFRUQDKCDZLO-JSGCOSHPSA-N 1 2 341.419 1.360 20 30 EDEDLO C[C@@H](c1nncn1C)[N@H+]1CCCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001034163810 709436801 /nfs/dbraw/zinc/43/68/01/709436801.db2.gz BHHFRUQDKCDZLO-JSGCOSHPSA-N 1 2 341.419 1.360 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001034241609 709627284 /nfs/dbraw/zinc/62/72/84/709627284.db2.gz ZCTUOFFTBZSORY-NSHDSACASA-N 1 2 334.811 1.690 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccc3n[nH]nc3n2)C1 ZINC001034241609 709627286 /nfs/dbraw/zinc/62/72/86/709627286.db2.gz ZCTUOFFTBZSORY-NSHDSACASA-N 1 2 334.811 1.690 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccnn2CCOC)C1 ZINC001034261931 709658493 /nfs/dbraw/zinc/65/84/93/709658493.db2.gz HLRYVTYPJKVZIS-CQSZACIVSA-N 1 2 340.855 1.866 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccnn2CCOC)C1 ZINC001034261931 709658495 /nfs/dbraw/zinc/65/84/95/709658495.db2.gz HLRYVTYPJKVZIS-CQSZACIVSA-N 1 2 340.855 1.866 20 30 EDEDLO C[C@H](C#N)C(=O)N1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001003361072 710282894 /nfs/dbraw/zinc/28/28/94/710282894.db2.gz ZZMJYZJLWUUGOP-CYBMUJFWSA-N 1 2 337.383 1.220 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001061763400 710296748 /nfs/dbraw/zinc/29/67/48/710296748.db2.gz KYFBSMQRGKAQLK-XHSDSOJGSA-N 1 2 330.432 1.709 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CC[NH+](Cc3ncc(C)cn3)CC2)c1 ZINC001003594110 710431972 /nfs/dbraw/zinc/43/19/72/710431972.db2.gz KCVCQKPFEUXVFS-UHFFFAOYSA-N 1 2 335.411 1.556 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nn1 ZINC001061773830 710663534 /nfs/dbraw/zinc/66/35/34/710663534.db2.gz KMZZMQIFUMIUAB-GFCCVEGCSA-N 1 2 347.382 1.481 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032982892 711132978 /nfs/dbraw/zinc/13/29/78/711132978.db2.gz WYFJGWTUXYAHNW-INIZCTEOSA-N 1 2 341.390 1.696 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001032982892 711132981 /nfs/dbraw/zinc/13/29/81/711132981.db2.gz WYFJGWTUXYAHNW-INIZCTEOSA-N 1 2 341.390 1.696 20 30 EDEDLO N#Cc1cc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnc(C3CC3)o2)c[nH]1 ZINC001034912103 711340804 /nfs/dbraw/zinc/34/08/04/711340804.db2.gz RPAFMESYIMRDPJ-CQSZACIVSA-N 1 2 340.387 1.541 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C)o1 ZINC001034958008 711430376 /nfs/dbraw/zinc/43/03/76/711430376.db2.gz UFZZXZJHBPBIRQ-CQSZACIVSA-N 1 2 329.404 1.760 20 30 EDEDLO Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001033026459 711446798 /nfs/dbraw/zinc/44/67/98/711446798.db2.gz VAZNEVWERQJEJA-OAHLLOKOSA-N 1 2 329.429 1.998 20 30 EDEDLO Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)cs1 ZINC001033026459 711446801 /nfs/dbraw/zinc/44/68/01/711446801.db2.gz VAZNEVWERQJEJA-OAHLLOKOSA-N 1 2 329.429 1.998 20 30 EDEDLO C=C1CCC(C(=O)NCC2CN(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001004118245 711481097 /nfs/dbraw/zinc/48/10/97/711481097.db2.gz HCOXIGHSNOENEE-UHFFFAOYSA-N 1 2 344.459 1.674 20 30 EDEDLO COc1ccncc1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004471457 711847791 /nfs/dbraw/zinc/84/77/91/711847791.db2.gz WZIZSKUFAHAJQW-QGZVFWFLSA-N 1 2 342.443 1.859 20 30 EDEDLO COc1ccncc1CC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004471457 711847793 /nfs/dbraw/zinc/84/77/93/711847793.db2.gz WZIZSKUFAHAJQW-QGZVFWFLSA-N 1 2 342.443 1.859 20 30 EDEDLO C[C@]1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CCC(=O)NC1 ZINC001004520716 711919917 /nfs/dbraw/zinc/91/99/17/711919917.db2.gz IOWBEHGFSJXPAN-YJBOKZPZSA-N 1 2 332.448 1.129 20 30 EDEDLO C[C@]1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CCC(=O)NC1 ZINC001004520716 711919920 /nfs/dbraw/zinc/91/99/20/711919920.db2.gz IOWBEHGFSJXPAN-YJBOKZPZSA-N 1 2 332.448 1.129 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001033140120 711937378 /nfs/dbraw/zinc/93/73/78/711937378.db2.gz PZZZWXDDSMKUKD-LLVKDONJSA-N 1 2 349.822 1.573 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ncn(C)c32)C1 ZINC001033140120 711937379 /nfs/dbraw/zinc/93/73/79/711937379.db2.gz PZZZWXDDSMKUKD-LLVKDONJSA-N 1 2 349.822 1.573 20 30 EDEDLO Cc1ccn(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(=O)c1 ZINC001004568355 711988796 /nfs/dbraw/zinc/98/87/96/711988796.db2.gz MIDIBYISZQEHJD-KRWDZBQOSA-N 1 2 342.443 1.383 20 30 EDEDLO Cc1ccn(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c(=O)c1 ZINC001004568355 711988798 /nfs/dbraw/zinc/98/87/98/711988798.db2.gz MIDIBYISZQEHJD-KRWDZBQOSA-N 1 2 342.443 1.383 20 30 EDEDLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N[C@@H]1CCCNC1=O ZINC000328676908 539350542 /nfs/dbraw/zinc/35/05/42/539350542.db2.gz LTJJWRGMNDRSHN-CYBMUJFWSA-N 1 2 333.392 1.041 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)Nc1nc(CN2CCOCC2)cs1 ZINC000329010727 539387102 /nfs/dbraw/zinc/38/71/02/539387102.db2.gz ZQZCFXBDWTVHKG-UHFFFAOYSA-N 1 2 336.421 1.235 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)C1 ZINC000329508548 539440501 /nfs/dbraw/zinc/44/05/01/539440501.db2.gz HXCGTDFCURGIDI-ARFHVFGLSA-N 1 2 340.512 1.577 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)C1 ZINC000329508548 539440503 /nfs/dbraw/zinc/44/05/03/539440503.db2.gz HXCGTDFCURGIDI-ARFHVFGLSA-N 1 2 340.512 1.577 20 30 EDEDLO N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000184277741 283217661 /nfs/dbraw/zinc/21/76/61/283217661.db2.gz GRQFFSNGZIUWIR-LBPRGKRZSA-N 1 2 333.355 1.537 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000133391696 138392675 /nfs/dbraw/zinc/39/26/75/138392675.db2.gz RQHBUOUQAUDULL-CQSZACIVSA-N 1 2 344.415 1.052 20 30 EDEDLO N#Cc1ccccc1OCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000033236990 202253135 /nfs/dbraw/zinc/25/31/35/202253135.db2.gz HEXKYCLWWCSWFF-UHFFFAOYSA-N 1 2 336.395 1.676 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000101556005 237037442 /nfs/dbraw/zinc/03/74/42/237037442.db2.gz ATJSTQGWTUGQQJ-MRXNPFEDSA-N 1 2 348.491 1.862 20 30 EDEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)CN2CCOCC2)cc1Cl ZINC000111181534 237110635 /nfs/dbraw/zinc/11/06/35/237110635.db2.gz VWXWJIUATLQGGY-UHFFFAOYSA-N 1 2 340.811 1.208 20 30 EDEDLO COCCCNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000124703633 237153938 /nfs/dbraw/zinc/15/39/38/237153938.db2.gz BWILJOOUCNCFNX-KRWDZBQOSA-N 1 2 330.432 1.022 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)ccc2F)CC1 ZINC000078678700 201189433 /nfs/dbraw/zinc/18/94/33/201189433.db2.gz SKVANRWKBXUQTI-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)ccc2F)CC1 ZINC000078678700 201189435 /nfs/dbraw/zinc/18/94/35/201189435.db2.gz SKVANRWKBXUQTI-UHFFFAOYSA-N 1 2 331.391 1.031 20 30 EDEDLO C=CCNC(=O)CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278881305 201312010 /nfs/dbraw/zinc/31/20/10/201312010.db2.gz CSHQSFAJZLNRJP-UHFFFAOYSA-N 1 2 345.447 1.411 20 30 EDEDLO Cc1nsc(N2CC[NH+](CCOC[C@@H]3CCCO3)CC2)c1C#N ZINC000566825222 306429628 /nfs/dbraw/zinc/42/96/28/306429628.db2.gz KOVPKSDIMOEGPR-AWEZNQCLSA-N 1 2 336.461 1.641 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(C(N)=O)CC2)cc1Cl ZINC000102180153 204033382 /nfs/dbraw/zinc/03/33/82/204033382.db2.gz NZRNJFQDHXDVRZ-UHFFFAOYSA-N 1 2 335.795 1.237 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(C(N)=O)CC2)cc1Cl ZINC000102180153 204033386 /nfs/dbraw/zinc/03/33/86/204033386.db2.gz NZRNJFQDHXDVRZ-UHFFFAOYSA-N 1 2 335.795 1.237 20 30 EDEDLO N#Cc1cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1F ZINC000103158836 204064244 /nfs/dbraw/zinc/06/42/44/204064244.db2.gz MHDFZWNOMFNDPA-UHFFFAOYSA-N 1 2 334.376 1.920 20 30 EDEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000106503934 204198671 /nfs/dbraw/zinc/19/86/71/204198671.db2.gz DSJOPRJXVHPAET-KRWDZBQOSA-N 1 2 327.432 1.802 20 30 EDEDLO N#Cc1cc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccn1 ZINC000195082463 139006581 /nfs/dbraw/zinc/00/65/81/139006581.db2.gz QLDALOMLQRSENZ-SFHVURJKSA-N 1 2 336.395 1.757 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c(F)c1 ZINC000157894474 205269377 /nfs/dbraw/zinc/26/93/77/205269377.db2.gz QRLJDCLEEPYNHR-UHFFFAOYSA-N 1 2 344.350 1.624 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)Nc3cccc(C#N)c3)[C@@H]2C1 ZINC000158225633 205307983 /nfs/dbraw/zinc/30/79/83/205307983.db2.gz RRQDMTVFWYZMOK-BRWVUGGUSA-N 1 2 329.400 1.765 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)[C@@H]2C1 ZINC000158225633 205307987 /nfs/dbraw/zinc/30/79/87/205307987.db2.gz RRQDMTVFWYZMOK-BRWVUGGUSA-N 1 2 329.400 1.765 20 30 EDEDLO CCc1noc(C)c1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000155817420 206037510 /nfs/dbraw/zinc/03/75/10/206037510.db2.gz BDBFIWXEMLTKQW-UHFFFAOYSA-N 1 2 335.408 1.625 20 30 EDEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@@H](C#N)CCC#N)CC2)C1 ZINC000246758082 249311723 /nfs/dbraw/zinc/31/17/23/249311723.db2.gz XWXDBYPNYAHAGU-KZNAEPCWSA-N 1 2 345.491 1.552 20 30 EDEDLO C#CC[N@@H+](CC)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000266961906 249353550 /nfs/dbraw/zinc/35/35/50/249353550.db2.gz WZBGYRZURMKMOX-UHFFFAOYSA-N 1 2 345.468 1.769 20 30 EDEDLO C#CC[N@H+](CC)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000266961906 249353552 /nfs/dbraw/zinc/35/35/52/249353552.db2.gz WZBGYRZURMKMOX-UHFFFAOYSA-N 1 2 345.468 1.769 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000272431649 249464331 /nfs/dbraw/zinc/46/43/31/249464331.db2.gz GZGSHSIZECDDNN-ZDUSSCGKSA-N 1 2 347.415 1.409 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000272431649 249464335 /nfs/dbraw/zinc/46/43/35/249464335.db2.gz GZGSHSIZECDDNN-ZDUSSCGKSA-N 1 2 347.415 1.409 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000283834777 249582058 /nfs/dbraw/zinc/58/20/58/249582058.db2.gz BNYDTAIOCXWLAN-YGRLFVJLSA-N 1 2 337.376 1.499 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000341861809 250002591 /nfs/dbraw/zinc/00/25/91/250002591.db2.gz ZDDCBFFKADQMBR-AEFFLSMTSA-N 1 2 347.459 1.544 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352237817 250076242 /nfs/dbraw/zinc/07/62/42/250076242.db2.gz LKWWZGCAGDOADG-HRCADAONSA-N 1 2 339.480 1.415 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352237817 250076245 /nfs/dbraw/zinc/07/62/45/250076245.db2.gz LKWWZGCAGDOADG-HRCADAONSA-N 1 2 339.480 1.415 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000352249118 250077719 /nfs/dbraw/zinc/07/77/19/250077719.db2.gz GPSSJLVTLFRCJL-MRXNPFEDSA-N 1 2 344.459 1.900 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355083701 250105363 /nfs/dbraw/zinc/10/53/63/250105363.db2.gz SPEXKKLPYMDZQW-INIZCTEOSA-N 1 2 339.443 1.664 20 30 EDEDLO N#C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000358373424 250132980 /nfs/dbraw/zinc/13/29/80/250132980.db2.gz XQUHOOAFGGJJDN-OAHLLOKOSA-N 1 2 330.388 1.275 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)NCC(C)(C)C#N ZINC000358616839 250138927 /nfs/dbraw/zinc/13/89/27/250138927.db2.gz IPQZXFSWADRVGM-STQMWFEESA-N 1 2 336.415 1.181 20 30 EDEDLO C#CCOCCC(=O)NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000361166329 250172757 /nfs/dbraw/zinc/17/27/57/250172757.db2.gz HSEOJVJMPBMCNI-UHFFFAOYSA-N 1 2 326.400 1.688 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)C(=O)NCCCCC#N)C2 ZINC000359373246 250153425 /nfs/dbraw/zinc/15/34/25/250153425.db2.gz OCXHHXIUSAKACC-CYBMUJFWSA-N 1 2 345.447 1.422 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000363538961 250185512 /nfs/dbraw/zinc/18/55/12/250185512.db2.gz CLZLQMGIFRRYPK-HNNXBMFYSA-N 1 2 344.415 1.126 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000363538961 250185516 /nfs/dbraw/zinc/18/55/16/250185516.db2.gz CLZLQMGIFRRYPK-HNNXBMFYSA-N 1 2 344.415 1.126 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000373230742 250235054 /nfs/dbraw/zinc/23/50/54/250235054.db2.gz RGAPLDTTXRNCTF-HOTGVXAUSA-N 1 2 336.480 1.727 20 30 EDEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000374499026 250268258 /nfs/dbraw/zinc/26/82/58/250268258.db2.gz XRVNINXPRBHDOO-OAHLLOKOSA-N 1 2 333.436 1.172 20 30 EDEDLO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000374499026 250268261 /nfs/dbraw/zinc/26/82/61/250268261.db2.gz XRVNINXPRBHDOO-OAHLLOKOSA-N 1 2 333.436 1.172 20 30 EDEDLO Cc1noc(C2(C)CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)n1 ZINC000374741496 250271328 /nfs/dbraw/zinc/27/13/28/250271328.db2.gz AXGFXCVCVINCAV-KRWDZBQOSA-N 1 2 331.420 1.540 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3cc(C4(C)CC4)[nH]n3)CC2)C1=O ZINC000374829756 250273514 /nfs/dbraw/zinc/27/35/14/250273514.db2.gz PDUPOUOWJVIBEG-CQSZACIVSA-N 1 2 329.448 1.370 20 30 EDEDLO N#C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000374385009 250261464 /nfs/dbraw/zinc/26/14/64/250261464.db2.gz KFKOSUXAQCNNSE-FZKQIMNGSA-N 1 2 335.367 1.145 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000176348252 207218142 /nfs/dbraw/zinc/21/81/42/207218142.db2.gz ZXGXXFAEYGFACV-HNNXBMFYSA-N 1 2 344.434 1.826 20 30 EDEDLO COC(=O)c1n[nH]c2c1CN(Cc1c[nH+]c3ccc(C#N)cn13)CC2 ZINC000449564178 269720265 /nfs/dbraw/zinc/72/02/65/269720265.db2.gz CDPMLYSNXGRISV-UHFFFAOYSA-N 1 2 336.355 1.274 20 30 EDEDLO N#Cc1csc(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000569771326 306519214 /nfs/dbraw/zinc/51/92/14/306519214.db2.gz XIZRPHWYCCJCNV-UHFFFAOYSA-N 1 2 342.424 1.777 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000569906287 306524178 /nfs/dbraw/zinc/52/41/78/306524178.db2.gz UQMBNGXDVWVARK-UHFFFAOYSA-N 1 2 336.399 1.648 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488745568 255052327 /nfs/dbraw/zinc/05/23/27/255052327.db2.gz LLJFPJVOSJQAQT-IRXDYDNUSA-N 1 2 348.491 1.653 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488745568 255052329 /nfs/dbraw/zinc/05/23/29/255052329.db2.gz LLJFPJVOSJQAQT-IRXDYDNUSA-N 1 2 348.491 1.653 20 30 EDEDLO COCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCOC1 ZINC000490092527 255078827 /nfs/dbraw/zinc/07/88/27/255078827.db2.gz RAYHHNDWYDHKFM-OAHLLOKOSA-N 1 2 328.372 1.846 20 30 EDEDLO COCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCOC1 ZINC000490092527 255078828 /nfs/dbraw/zinc/07/88/28/255078828.db2.gz RAYHHNDWYDHKFM-OAHLLOKOSA-N 1 2 328.372 1.846 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCOC2)CC1 ZINC000491066554 255117552 /nfs/dbraw/zinc/11/75/52/255117552.db2.gz DLDASHMISQSBMD-OAHLLOKOSA-N 1 2 340.431 1.065 20 30 EDEDLO C#CC[N@H+](CC#CC)C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000490696716 255100857 /nfs/dbraw/zinc/10/08/57/255100857.db2.gz IAHBALQKBFNATO-KRWDZBQOSA-N 1 2 329.396 1.596 20 30 EDEDLO C#CC[N@@H+](CC#CC)C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000490696716 255100859 /nfs/dbraw/zinc/10/08/59/255100859.db2.gz IAHBALQKBFNATO-KRWDZBQOSA-N 1 2 329.396 1.596 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2N2CCCC2=O)CC1 ZINC000490799349 255107466 /nfs/dbraw/zinc/10/74/66/255107466.db2.gz GLFWKQZRFYKJSO-UHFFFAOYSA-N 1 2 340.427 1.003 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCOC2)CC1 ZINC000491666491 255137503 /nfs/dbraw/zinc/13/75/03/255137503.db2.gz WOROOSQVIKOIGM-INIZCTEOSA-N 1 2 329.448 1.022 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)C1CC1 ZINC000491672003 255138741 /nfs/dbraw/zinc/13/87/41/255138741.db2.gz GMKDZJARQFFBFR-INIZCTEOSA-N 1 2 345.487 1.581 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)C1CC1 ZINC000491672003 255138743 /nfs/dbraw/zinc/13/87/43/255138743.db2.gz GMKDZJARQFFBFR-INIZCTEOSA-N 1 2 345.487 1.581 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000491702030 255143030 /nfs/dbraw/zinc/14/30/30/255143030.db2.gz XNTFLGOVYDEZJM-CVEARBPZSA-N 1 2 334.851 1.559 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)c1ccc(Cl)cc1 ZINC000491702030 255143032 /nfs/dbraw/zinc/14/30/32/255143032.db2.gz XNTFLGOVYDEZJM-CVEARBPZSA-N 1 2 334.851 1.559 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000491732235 255146283 /nfs/dbraw/zinc/14/62/83/255146283.db2.gz HIQIIJYJVQHIHY-UHFFFAOYSA-N 1 2 335.354 1.365 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CN2Cc3c(cccc3Cl)C2=O)CC1 ZINC000491773495 255146968 /nfs/dbraw/zinc/14/69/68/255146968.db2.gz VTXMBYGEYKDKFD-UHFFFAOYSA-N 1 2 345.830 1.715 20 30 EDEDLO C#CCNC(=O)C1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000491624770 255133045 /nfs/dbraw/zinc/13/30/45/255133045.db2.gz HBBVSBVYEGZJJU-UHFFFAOYSA-N 1 2 325.372 1.328 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000491625608 255133310 /nfs/dbraw/zinc/13/33/10/255133310.db2.gz ISRPRZUJGHFQNM-UHFFFAOYSA-N 1 2 327.428 1.095 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000491627516 255133572 /nfs/dbraw/zinc/13/35/72/255133572.db2.gz MERRKCLXVKVWNE-QZTJIDSGSA-N 1 2 343.427 1.104 20 30 EDEDLO C[N@H+](Cn1cccc(C#N)c1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495191276 255272000 /nfs/dbraw/zinc/27/20/00/255272000.db2.gz QKICZLRAZFBWQM-CQSZACIVSA-N 1 2 332.404 1.619 20 30 EDEDLO C[N@@H+](Cn1cccc(C#N)c1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495191276 255272001 /nfs/dbraw/zinc/27/20/01/255272001.db2.gz QKICZLRAZFBWQM-CQSZACIVSA-N 1 2 332.404 1.619 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(COC(=O)N3)CC2)c(C#N)c1C ZINC000495293242 255278973 /nfs/dbraw/zinc/27/89/73/255278973.db2.gz ZRBMVZJRNXJESG-LLVKDONJSA-N 1 2 346.387 1.670 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)COc3cccnc3)CC2)cc1 ZINC000263958486 139372155 /nfs/dbraw/zinc/37/21/55/139372155.db2.gz ZGTAVSUEDSHBFM-UHFFFAOYSA-N 1 2 336.395 1.676 20 30 EDEDLO N#Cc1cccc(NC(=O)C2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000571610482 306569430 /nfs/dbraw/zinc/56/94/30/306569430.db2.gz GVGSHFDWTDASHJ-UHFFFAOYSA-N 1 2 337.383 1.632 20 30 EDEDLO C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000271298699 140273264 /nfs/dbraw/zinc/27/32/64/140273264.db2.gz QLHJWVHKACUUMP-CRAIPNDOSA-N 1 2 342.443 1.953 20 30 EDEDLO N#Cc1ccc(CNC(=O)CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000271527095 140307430 /nfs/dbraw/zinc/30/74/30/140307430.db2.gz HYHDUGJAGFPQQT-UHFFFAOYSA-N 1 2 349.438 1.387 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(O)(C(F)F)CC3)C2=O)cc1 ZINC000331679837 141066619 /nfs/dbraw/zinc/06/66/19/141066619.db2.gz PONGSTVVCHJCRA-AWEZNQCLSA-N 1 2 335.354 1.756 20 30 EDEDLO Cc1onc(CC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1C#N ZINC000332331859 141163589 /nfs/dbraw/zinc/16/35/89/141163589.db2.gz ZAOAAMQCANOMEL-CYBMUJFWSA-N 1 2 339.399 1.698 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3ccc(C#N)c(F)c3)C[C@H]21 ZINC000332484312 141189016 /nfs/dbraw/zinc/18/90/16/141189016.db2.gz NIHUSBKKPSBLDC-HZPDHXFCSA-N 1 2 332.379 1.312 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3ccc(C#N)c(F)c3)C[C@H]21 ZINC000332484312 141189017 /nfs/dbraw/zinc/18/90/17/141189017.db2.gz NIHUSBKKPSBLDC-HZPDHXFCSA-N 1 2 332.379 1.312 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1 ZINC000339716980 142131765 /nfs/dbraw/zinc/13/17/65/142131765.db2.gz FTNMRWXMNXTXFC-LBPRGKRZSA-N 1 2 341.346 1.385 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C ZINC000346684904 143231514 /nfs/dbraw/zinc/23/15/14/143231514.db2.gz RZYAZWYEDBNIRI-IUODEOHRSA-N 1 2 336.413 1.215 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C ZINC000346684904 143231515 /nfs/dbraw/zinc/23/15/15/143231515.db2.gz RZYAZWYEDBNIRI-IUODEOHRSA-N 1 2 336.413 1.215 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000346692750 143232710 /nfs/dbraw/zinc/23/27/10/143232710.db2.gz IROSAZCVGDXLNH-SHPPOPEUSA-N 1 2 326.400 1.471 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000346692750 143232711 /nfs/dbraw/zinc/23/27/11/143232711.db2.gz IROSAZCVGDXLNH-SHPPOPEUSA-N 1 2 326.400 1.471 20 30 EDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2nc(C)no2)CC1 ZINC000347254993 143300633 /nfs/dbraw/zinc/30/06/33/143300633.db2.gz KCJYSHVYAXPLIR-UHFFFAOYSA-N 1 2 327.388 1.576 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341266506 143892243 /nfs/dbraw/zinc/89/22/43/143892243.db2.gz IHEBXFJAERTFOT-PBHICJAKSA-N 1 2 339.399 1.926 20 30 EDEDLO COC(=O)c1cccc(C[NH+]2CCC(N3CN=NC3=O)CC2)c1C#N ZINC000573133097 306612887 /nfs/dbraw/zinc/61/28/87/306612887.db2.gz RSTBOZRWTYDIKC-UHFFFAOYSA-N 1 2 341.371 1.479 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000573335092 306619007 /nfs/dbraw/zinc/61/90/07/306619007.db2.gz GKGHBKBHIVJNGX-HNNXBMFYSA-N 1 2 341.459 1.518 20 30 EDEDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000369973063 155260370 /nfs/dbraw/zinc/26/03/70/155260370.db2.gz JFVOJCOEHAIXBU-HOTGVXAUSA-N 1 2 345.399 1.539 20 30 EDEDLO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000369973063 155260372 /nfs/dbraw/zinc/26/03/72/155260372.db2.gz JFVOJCOEHAIXBU-HOTGVXAUSA-N 1 2 345.399 1.539 20 30 EDEDLO CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355096146 150114338 /nfs/dbraw/zinc/11/43/38/150114338.db2.gz ACMJJRQWUNLYGH-OAHLLOKOSA-N 1 2 329.448 1.626 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000264453763 286270687 /nfs/dbraw/zinc/27/06/87/286270687.db2.gz NOYFYOCYUZEJLG-ZDUSSCGKSA-N 1 2 331.420 1.324 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1 ZINC000361437104 152395983 /nfs/dbraw/zinc/39/59/83/152395983.db2.gz GVCVNDWZNJJRBM-DLBZAZTESA-N 1 2 329.400 1.355 20 30 EDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 ZINC000364386619 153223880 /nfs/dbraw/zinc/22/38/80/153223880.db2.gz XGCCAAIWPKYWMB-ZDUSSCGKSA-N 1 2 345.428 1.330 20 30 EDEDLO C[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)n2)C[C@H]1[NH+]1CCOCC1 ZINC000367400816 154106846 /nfs/dbraw/zinc/10/68/46/154106846.db2.gz XCCRTUVBWFDPCZ-SMDDNHRTSA-N 1 2 334.807 1.399 20 30 EDEDLO Cc1cc(C#N)nc(N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)n1 ZINC000367723029 154243561 /nfs/dbraw/zinc/24/35/61/154243561.db2.gz XFZRJWKUKHYPPD-UHFFFAOYSA-N 1 2 340.431 1.376 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000372181847 156259773 /nfs/dbraw/zinc/25/97/73/156259773.db2.gz WBXOZJDOUDMGDU-IBGZPJMESA-N 1 2 343.427 1.478 20 30 EDEDLO COC(=O)[C@H](CC(C)C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000352420981 162173397 /nfs/dbraw/zinc/17/33/97/162173397.db2.gz IZALYKAQCZQABK-HNNXBMFYSA-N 1 2 333.436 1.310 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000129577492 287477676 /nfs/dbraw/zinc/47/76/76/287477676.db2.gz IYVJYTOHBNUHBR-UHFFFAOYSA-N 1 2 332.791 1.457 20 30 EDEDLO CCN(CC)C(=O)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000153621424 287629255 /nfs/dbraw/zinc/62/92/55/287629255.db2.gz UBSCXJKPZLKLDO-QGZVFWFLSA-N 1 2 342.443 1.665 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000164128421 270008818 /nfs/dbraw/zinc/00/88/18/270008818.db2.gz XFHLUJYAQSVHSZ-UHFFFAOYSA-N 1 2 326.400 1.555 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000294958341 270011055 /nfs/dbraw/zinc/01/10/55/270011055.db2.gz QPQBWEDSNAJVCU-UHFFFAOYSA-N 1 2 332.358 1.737 20 30 EDEDLO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000456567067 270013864 /nfs/dbraw/zinc/01/38/64/270013864.db2.gz ZEQVAAPAEOZIBV-NSHDSACASA-N 1 2 334.445 1.937 20 30 EDEDLO CCCN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000459857808 270013931 /nfs/dbraw/zinc/01/39/31/270013931.db2.gz DFIQLTMAAPNJDF-UHFFFAOYSA-N 1 2 328.416 1.071 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCS(=O)(=O)[C@H]4CCC[C@H]43)n2c1 ZINC000515594157 270015088 /nfs/dbraw/zinc/01/50/88/270015088.db2.gz RUBZLOFRBOFUMU-CABCVRRESA-N 1 2 330.413 1.357 20 30 EDEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccncc1 ZINC000289860456 266127743 /nfs/dbraw/zinc/12/77/43/266127743.db2.gz LCZROTFQWWNEHE-UHFFFAOYSA-N 1 2 330.413 1.644 20 30 EDEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccncc1 ZINC000289860456 266127745 /nfs/dbraw/zinc/12/77/45/266127745.db2.gz LCZROTFQWWNEHE-UHFFFAOYSA-N 1 2 330.413 1.644 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1ncccc1C#N ZINC000281441450 266556977 /nfs/dbraw/zinc/55/69/77/266556977.db2.gz KCACIVARDSCWOI-GJZGRUSLSA-N 1 2 328.395 1.736 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280615700 267137972 /nfs/dbraw/zinc/13/79/72/267137972.db2.gz WFRPJWROVZPHGM-HBUWYVDXSA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280615700 267137976 /nfs/dbraw/zinc/13/79/76/267137976.db2.gz WFRPJWROVZPHGM-HBUWYVDXSA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2n[nH]c(=O)o2)CC1 ZINC000284267792 267140622 /nfs/dbraw/zinc/14/06/22/267140622.db2.gz MOYJRGVORNHMDR-LLVKDONJSA-N 1 2 341.371 1.441 20 30 EDEDLO CC[C@H]1C[N@H+](CCNS(=O)(=O)Cc2cccc(C#N)c2)CCO1 ZINC000487363440 267231801 /nfs/dbraw/zinc/23/18/01/267231801.db2.gz ZMAIVCOKMJNWLQ-INIZCTEOSA-N 1 2 337.445 1.088 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNS(=O)(=O)Cc2cccc(C#N)c2)CCO1 ZINC000487363440 267231805 /nfs/dbraw/zinc/23/18/05/267231805.db2.gz ZMAIVCOKMJNWLQ-INIZCTEOSA-N 1 2 337.445 1.088 20 30 EDEDLO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1C#N ZINC000277825509 267355681 /nfs/dbraw/zinc/35/56/81/267355681.db2.gz JGBLCFZHJPBHHV-HNNXBMFYSA-N 1 2 349.456 1.210 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)C1 ZINC000412362938 267363070 /nfs/dbraw/zinc/36/30/70/267363070.db2.gz VMTPJIUJILILPE-GDBMZVCRSA-N 1 2 343.427 1.663 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)C1 ZINC000412362938 267363072 /nfs/dbraw/zinc/36/30/72/267363072.db2.gz VMTPJIUJILILPE-GDBMZVCRSA-N 1 2 343.427 1.663 20 30 EDEDLO Cc1nsc(N2CC[NH+](CCO[C@H]3CCCCO3)CC2)c1C#N ZINC000289457049 267695830 /nfs/dbraw/zinc/69/58/30/267695830.db2.gz LPZIWEIHVUPFMS-HNNXBMFYSA-N 1 2 336.461 1.988 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)Cc3cn4ccccc4[nH+]3)C2)nc1 ZINC000292491871 268180143 /nfs/dbraw/zinc/18/01/43/268180143.db2.gz WRXPDNYOBAGHNT-MRXNPFEDSA-N 1 2 347.378 1.823 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NCc3ccco3)C2)nc1 ZINC000292147664 268181564 /nfs/dbraw/zinc/18/15/64/268181564.db2.gz JYMAIXWIUSZCAG-OAHLLOKOSA-N 1 2 326.356 1.316 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NCc3ccco3)C2)nc1 ZINC000292147664 268181566 /nfs/dbraw/zinc/18/15/66/268181566.db2.gz JYMAIXWIUSZCAG-OAHLLOKOSA-N 1 2 326.356 1.316 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)C(N)=O)cc1 ZINC000531908741 268263651 /nfs/dbraw/zinc/26/36/51/268263651.db2.gz RIXMSOTVZDXEAS-ZDUSSCGKSA-N 1 2 337.305 1.633 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000528501888 268295671 /nfs/dbraw/zinc/29/56/71/268295671.db2.gz FMDNVYFIFVDOJM-KGLIPLIRSA-N 1 2 326.343 1.654 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@H]1CC(F)F ZINC000528501888 268295672 /nfs/dbraw/zinc/29/56/72/268295672.db2.gz FMDNVYFIFVDOJM-KGLIPLIRSA-N 1 2 326.343 1.654 20 30 EDEDLO N#Cc1cnc2c(F)cc(F)cc2c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000432129327 268314280 /nfs/dbraw/zinc/31/42/80/268314280.db2.gz KLLZLZNAMIEDQL-CYBMUJFWSA-N 1 2 348.353 1.490 20 30 EDEDLO N#Cc1ncccc1N1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000290698758 268327199 /nfs/dbraw/zinc/32/71/99/268327199.db2.gz VRVCNXRWFFHQJM-IBGZPJMESA-N 1 2 347.422 1.881 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCC3CCC3)CC2)cc1 ZINC000284284368 274146382 /nfs/dbraw/zinc/14/63/82/274146382.db2.gz WYIDMKFWZHLBSZ-UHFFFAOYSA-N 1 2 340.427 1.119 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(c3cc(Cl)ccc3C#N)CC2)C(=O)C1 ZINC000374794812 277103663 /nfs/dbraw/zinc/10/36/63/277103663.db2.gz BJTBWHXRHUNCOS-UHFFFAOYSA-N 1 2 332.835 1.954 20 30 EDEDLO C[N@H+]1CCN(C2CCN(c3cc(Cl)ccc3C#N)CC2)C(=O)C1 ZINC000374794812 277103665 /nfs/dbraw/zinc/10/36/65/277103665.db2.gz BJTBWHXRHUNCOS-UHFFFAOYSA-N 1 2 332.835 1.954 20 30 EDEDLO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000191818760 277129293 /nfs/dbraw/zinc/12/92/93/277129293.db2.gz DVWAWOAEVXXNAG-MFKMUULPSA-N 1 2 333.388 1.838 20 30 EDEDLO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000191818760 277129297 /nfs/dbraw/zinc/12/92/97/277129297.db2.gz DVWAWOAEVXXNAG-MFKMUULPSA-N 1 2 333.388 1.838 20 30 EDEDLO Cc1c(Cl)cnc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1C#N ZINC000363670432 280234130 /nfs/dbraw/zinc/23/41/30/280234130.db2.gz JSJWOBYOAOARKC-OAHLLOKOSA-N 1 2 347.850 1.706 20 30 EDEDLO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000374029022 297317366 /nfs/dbraw/zinc/31/73/66/297317366.db2.gz VGFLSTQPVSDVCP-MDZRGWNJSA-N 1 2 349.475 1.987 20 30 EDEDLO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000374029022 297317369 /nfs/dbraw/zinc/31/73/69/297317369.db2.gz VGFLSTQPVSDVCP-MDZRGWNJSA-N 1 2 349.475 1.987 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC[C@H]3CCOC3)CC2)cc1 ZINC000543233926 306061767 /nfs/dbraw/zinc/06/17/67/306061767.db2.gz XYLMVRLRHXBYNY-SFHVURJKSA-N 1 2 342.443 1.812 20 30 EDEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCn3c(nnc3C(F)F)C2)c1 ZINC000551156401 306156272 /nfs/dbraw/zinc/15/62/72/306156272.db2.gz QNYRLFBMGFUAPV-UHFFFAOYSA-N 1 2 346.341 1.932 20 30 EDEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCn3c(nnc3C(F)F)C2)c1 ZINC000551156401 306156273 /nfs/dbraw/zinc/15/62/73/306156273.db2.gz QNYRLFBMGFUAPV-UHFFFAOYSA-N 1 2 346.341 1.932 20 30 EDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)CCC(C)(C)C#N)C1 ZINC000377852691 447377611 /nfs/dbraw/zinc/37/76/11/447377611.db2.gz SRRJCLXGRWWHIV-CQSZACIVSA-N 1 2 338.477 1.944 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)CCC(C)(C)C#N ZINC000377902149 447387997 /nfs/dbraw/zinc/38/79/97/447387997.db2.gz FHDSXICGJOAGGQ-UONOGXRCSA-N 1 2 329.466 1.051 20 30 EDEDLO COc1ccccc1[C@H](NC(=O)CSCC#N)c1[nH+]ccn1C ZINC000046025473 441069905 /nfs/dbraw/zinc/06/99/05/441069905.db2.gz SODUTHCVCQIQTE-HNNXBMFYSA-N 1 2 330.413 1.891 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000017307926 441240812 /nfs/dbraw/zinc/24/08/12/441240812.db2.gz BPWZNWXSIPSCHJ-CYBMUJFWSA-N 1 2 337.445 1.741 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000017307926 441240815 /nfs/dbraw/zinc/24/08/15/441240815.db2.gz BPWZNWXSIPSCHJ-CYBMUJFWSA-N 1 2 337.445 1.741 20 30 EDEDLO N#CCC[N@@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)CC1CC1 ZINC000081044220 441224853 /nfs/dbraw/zinc/22/48/53/441224853.db2.gz WAKINLYPSCISHT-OAHLLOKOSA-N 1 2 329.400 1.568 20 30 EDEDLO N#CCC[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)CC1CC1 ZINC000081044220 441224858 /nfs/dbraw/zinc/22/48/58/441224858.db2.gz WAKINLYPSCISHT-OAHLLOKOSA-N 1 2 329.400 1.568 20 30 EDEDLO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481767 441246134 /nfs/dbraw/zinc/24/61/34/441246134.db2.gz UZKURFWCKQCXIC-DOTOQJQBSA-N 1 2 341.459 1.770 20 30 EDEDLO COc1ccc(/C=C/C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000060855739 441259318 /nfs/dbraw/zinc/25/93/18/441259318.db2.gz DQOQKQIXVGFXNW-VMPITWQZSA-N 1 2 343.427 1.783 20 30 EDEDLO N#Cc1cccc(C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)c1 ZINC000022803090 441285836 /nfs/dbraw/zinc/28/58/36/441285836.db2.gz PJRKEFUPHWEEAG-UHFFFAOYSA-N 1 2 348.450 1.992 20 30 EDEDLO CNc1nc(N2CCN(c3ccc(C#N)cn3)CC2)[nH+]c2ccccc21 ZINC000450267040 447439642 /nfs/dbraw/zinc/43/96/42/447439642.db2.gz AUEMMYCMENEMAQ-UHFFFAOYSA-N 1 2 345.410 2.265 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)CNc3ccc(C#N)cc3)C2)CC1 ZINC000106804553 441372985 /nfs/dbraw/zinc/37/29/85/441372985.db2.gz GUUIQCDGUNBVPX-GOSISDBHSA-N 1 2 341.459 1.209 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cnc3cc(F)c(F)cc3n2)CC1 ZINC000074280235 441415022 /nfs/dbraw/zinc/41/50/22/441415022.db2.gz NLCSRMAQKQNMSH-UHFFFAOYSA-N 1 2 347.369 1.332 20 30 EDEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000052035519 441431634 /nfs/dbraw/zinc/43/16/34/441431634.db2.gz OQMKUNWSUHZTCG-UHFFFAOYSA-N 1 2 334.445 1.292 20 30 EDEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000052035519 441431636 /nfs/dbraw/zinc/43/16/36/441431636.db2.gz OQMKUNWSUHZTCG-UHFFFAOYSA-N 1 2 334.445 1.292 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000052868327 441482529 /nfs/dbraw/zinc/48/25/29/441482529.db2.gz YLXVQMFLTBUWGW-UHFFFAOYSA-N 1 2 341.415 1.170 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000052508815 441455698 /nfs/dbraw/zinc/45/56/98/441455698.db2.gz MBPGLDNACKPGCG-HNNXBMFYSA-N 1 2 340.431 1.083 20 30 EDEDLO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444728 441459186 /nfs/dbraw/zinc/45/91/86/441459186.db2.gz LIJMZLLKGGHOEU-RDJZCZTQSA-N 1 2 341.459 1.770 20 30 EDEDLO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000075346626 441519045 /nfs/dbraw/zinc/51/90/45/441519045.db2.gz OVCJRVQTOKGKGE-GFCCVEGCSA-N 1 2 334.445 1.937 20 30 EDEDLO N#C[C@@]1(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCSC1 ZINC000110677657 441521987 /nfs/dbraw/zinc/52/19/87/441521987.db2.gz XJJRJOGYQPBDDC-KRWDZBQOSA-N 1 2 331.441 1.648 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111292584 441531704 /nfs/dbraw/zinc/53/17/04/441531704.db2.gz NUAOZFNYNDLYMI-ZBFHGGJFSA-N 1 2 340.427 1.972 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111292584 441531709 /nfs/dbraw/zinc/53/17/09/441531709.db2.gz NUAOZFNYNDLYMI-ZBFHGGJFSA-N 1 2 340.427 1.972 20 30 EDEDLO CCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000054227376 441565843 /nfs/dbraw/zinc/56/58/43/441565843.db2.gz CXPYQUUKHUIDSW-ZDUSSCGKSA-N 1 2 334.395 1.529 20 30 EDEDLO CCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000054227376 441565846 /nfs/dbraw/zinc/56/58/46/441565846.db2.gz CXPYQUUKHUIDSW-ZDUSSCGKSA-N 1 2 334.395 1.529 20 30 EDEDLO Cc1ccc(C)c(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000076205854 441611333 /nfs/dbraw/zinc/61/13/33/441611333.db2.gz GGGPLQJPXMNSII-UHFFFAOYSA-N 1 2 329.444 1.920 20 30 EDEDLO C#CC[NH+](CC#C)CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000076185902 441608030 /nfs/dbraw/zinc/60/80/30/441608030.db2.gz VJHXAONUIDHOBX-UHFFFAOYSA-N 1 2 326.396 1.157 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000056925703 441758475 /nfs/dbraw/zinc/75/84/75/441758475.db2.gz AVFQCNJTQXLSTJ-CMDGGOBGSA-N 1 2 340.427 1.242 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000056925703 441758480 /nfs/dbraw/zinc/75/84/80/441758480.db2.gz AVFQCNJTQXLSTJ-CMDGGOBGSA-N 1 2 340.427 1.242 20 30 EDEDLO C[C@H]1CO[C@H](CO)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000138690409 441797234 /nfs/dbraw/zinc/79/72/34/441797234.db2.gz ZKMUTXJVHWAVRF-RYUDHWBXSA-N 1 2 349.456 1.519 20 30 EDEDLO C[C@H]1CO[C@H](CO)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000138690409 441797237 /nfs/dbraw/zinc/79/72/37/441797237.db2.gz ZKMUTXJVHWAVRF-RYUDHWBXSA-N 1 2 349.456 1.519 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC000122241967 441841027 /nfs/dbraw/zinc/84/10/27/441841027.db2.gz CSSKNWBECPMSHI-UHFFFAOYSA-N 1 2 325.815 1.899 20 30 EDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc2cc(C#N)ccc2n1 ZINC000092920277 441841484 /nfs/dbraw/zinc/84/14/84/441841484.db2.gz SQODRMIRAHBFPK-INIZCTEOSA-N 1 2 326.400 1.236 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC(=O)NC1CC1 ZINC000122462091 441851222 /nfs/dbraw/zinc/85/12/22/441851222.db2.gz DRJCVSZKHHANOQ-AWEZNQCLSA-N 1 2 328.416 1.532 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC(=O)NC1CC1 ZINC000122462091 441851224 /nfs/dbraw/zinc/85/12/24/441851224.db2.gz DRJCVSZKHHANOQ-AWEZNQCLSA-N 1 2 328.416 1.532 20 30 EDEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000078395639 441928218 /nfs/dbraw/zinc/92/82/18/441928218.db2.gz CYXNDMADKVGUQL-FUHWJXTLSA-N 1 2 346.427 1.910 20 30 EDEDLO CCOC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000078395639 441928220 /nfs/dbraw/zinc/92/82/20/441928220.db2.gz CYXNDMADKVGUQL-FUHWJXTLSA-N 1 2 346.427 1.910 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718343 441956734 /nfs/dbraw/zinc/95/67/34/441956734.db2.gz WSHLZTCNUCXVMF-MRXNPFEDSA-N 1 2 343.475 1.455 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000120540093 442091484 /nfs/dbraw/zinc/09/14/84/442091484.db2.gz DYFCDUTWAGCMAI-UHFFFAOYSA-N 1 2 344.459 1.553 20 30 EDEDLO C[C@H](CC#N)N(C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000161969429 442050138 /nfs/dbraw/zinc/05/01/38/442050138.db2.gz MRZPLXDBPCPKDR-MRXNPFEDSA-N 1 2 344.459 1.369 20 30 EDEDLO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000125949867 442063946 /nfs/dbraw/zinc/06/39/46/442063946.db2.gz SPBOEUWUGWQZLB-GJZGRUSLSA-N 1 2 330.494 1.699 20 30 EDEDLO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000125949867 442063952 /nfs/dbraw/zinc/06/39/52/442063952.db2.gz SPBOEUWUGWQZLB-GJZGRUSLSA-N 1 2 330.494 1.699 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)N1CCc2ccccc21 ZINC000096971317 442152646 /nfs/dbraw/zinc/15/26/46/442152646.db2.gz FBSIBAOZDFRQAP-UHFFFAOYSA-N 1 2 342.443 1.124 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)c(F)cc2F)CC1 ZINC000176311216 442208162 /nfs/dbraw/zinc/20/81/62/442208162.db2.gz JVMORFVIOXGBOJ-UHFFFAOYSA-N 1 2 349.381 1.171 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)c(F)cc2F)CC1 ZINC000176311216 442208165 /nfs/dbraw/zinc/20/81/65/442208165.db2.gz JVMORFVIOXGBOJ-UHFFFAOYSA-N 1 2 349.381 1.171 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170650446 442242050 /nfs/dbraw/zinc/24/20/50/442242050.db2.gz CPCSDHSNIXYOEJ-AWEZNQCLSA-N 1 2 336.399 1.497 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170650383 442242270 /nfs/dbraw/zinc/24/22/70/442242270.db2.gz GMLSJBZBPLXEDC-OAHLLOKOSA-N 1 2 342.447 1.330 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000128609214 442277770 /nfs/dbraw/zinc/27/77/70/442277770.db2.gz LLPUGMOVEBJCGX-MRXNPFEDSA-N 1 2 344.440 1.866 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000128609214 442277775 /nfs/dbraw/zinc/27/77/75/442277775.db2.gz LLPUGMOVEBJCGX-MRXNPFEDSA-N 1 2 344.440 1.866 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000170939053 442292761 /nfs/dbraw/zinc/29/27/61/442292761.db2.gz FFHIGUMPKBZSNG-KBPBESRZSA-N 1 2 344.415 1.031 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(CC=C)cc2OC)CC1 ZINC000128309935 442258858 /nfs/dbraw/zinc/25/88/58/442258858.db2.gz CJKRJJXDIIDRBJ-UHFFFAOYSA-N 1 2 328.412 1.580 20 30 EDEDLO CCN(CCC#N)C(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000177782202 442384106 /nfs/dbraw/zinc/38/41/06/442384106.db2.gz YYIAKYVDTBGAKO-UHFFFAOYSA-N 1 2 330.432 1.272 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000177782202 442384108 /nfs/dbraw/zinc/38/41/08/442384108.db2.gz YYIAKYVDTBGAKO-UHFFFAOYSA-N 1 2 330.432 1.272 20 30 EDEDLO CC(C)(C)C[N@H+](CCC#N)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000171946312 442392600 /nfs/dbraw/zinc/39/26/00/442392600.db2.gz NJXNDOZBVGHFKY-UHFFFAOYSA-N 1 2 344.463 1.387 20 30 EDEDLO CC(C)(C)C[N@@H+](CCC#N)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000171946312 442392601 /nfs/dbraw/zinc/39/26/01/442392601.db2.gz NJXNDOZBVGHFKY-UHFFFAOYSA-N 1 2 344.463 1.387 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000178515256 442440595 /nfs/dbraw/zinc/44/05/95/442440595.db2.gz BGILPYCESKHLMF-UHFFFAOYSA-N 1 2 337.383 1.865 20 30 EDEDLO CN1CC[NH+]([C@@H]2CCCCN(S(=O)(=O)CCCCC#N)C2)CC1 ZINC000179674486 442488472 /nfs/dbraw/zinc/48/84/72/442488472.db2.gz UVZFWJAYQXREBU-MRXNPFEDSA-N 1 2 342.509 1.112 20 30 EDEDLO Cc1cc(F)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1F ZINC000134223422 442459686 /nfs/dbraw/zinc/45/96/86/442459686.db2.gz YJJUTNWRZLDESQ-UHFFFAOYSA-N 1 2 337.370 1.961 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000186183064 442479990 /nfs/dbraw/zinc/47/99/90/442479990.db2.gz IDLUIMAORWWRKL-OAHLLOKOSA-N 1 2 340.427 1.386 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000134950784 442540060 /nfs/dbraw/zinc/54/00/60/442540060.db2.gz JWLRUNOLXHKZQF-HNNXBMFYSA-N 1 2 345.874 1.976 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)COc3ccccc3C#N)CC2)S1 ZINC000173074368 442599455 /nfs/dbraw/zinc/59/94/55/442599455.db2.gz OGHFGWLYTLBVLL-ZDUSSCGKSA-N 1 2 344.440 1.573 20 30 EDEDLO Cc1ncsc1C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000180637556 442639315 /nfs/dbraw/zinc/63/93/15/442639315.db2.gz PTYULDMJGIYEHD-OAHLLOKOSA-N 1 2 349.504 1.576 20 30 EDEDLO Cc1ncsc1C[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000180637556 442639320 /nfs/dbraw/zinc/63/93/20/442639320.db2.gz PTYULDMJGIYEHD-OAHLLOKOSA-N 1 2 349.504 1.576 20 30 EDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180554196 442621678 /nfs/dbraw/zinc/62/16/78/442621678.db2.gz HSDQBJUJBQGZKJ-KRWDZBQOSA-N 1 2 343.427 1.007 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2nc(C)cc(C(C)C)n2)CC1 ZINC000186876182 442624779 /nfs/dbraw/zinc/62/47/79/442624779.db2.gz ADNWPSDGPRPIQT-OAHLLOKOSA-N 1 2 331.464 1.721 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3c[nH]c(C#N)c3)c[nH+]2)CCO1 ZINC000181215672 442684807 /nfs/dbraw/zinc/68/48/07/442684807.db2.gz KKWWXZAYSPVHQP-GFCCVEGCSA-N 1 2 325.372 1.436 20 30 EDEDLO C=CCNC(=O)C[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000187354866 442671725 /nfs/dbraw/zinc/67/17/25/442671725.db2.gz AKTIBFUGTAVCAR-UHFFFAOYSA-N 1 2 330.837 1.525 20 30 EDEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1CCCS1(=O)=O ZINC000610967027 450395467 /nfs/dbraw/zinc/39/54/67/450395467.db2.gz NQMPMRRFODTFIW-DLBZAZTESA-N 1 2 333.457 1.794 20 30 EDEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCN1CCCS1(=O)=O ZINC000610967027 450395471 /nfs/dbraw/zinc/39/54/71/450395471.db2.gz NQMPMRRFODTFIW-DLBZAZTESA-N 1 2 333.457 1.794 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246896454 442819448 /nfs/dbraw/zinc/81/94/48/442819448.db2.gz FLLWKOILGFBMKW-SFDCACGMSA-N 1 2 337.445 1.256 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246896454 442819455 /nfs/dbraw/zinc/81/94/55/442819455.db2.gz FLLWKOILGFBMKW-SFDCACGMSA-N 1 2 337.445 1.256 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000265671955 442874188 /nfs/dbraw/zinc/87/41/88/442874188.db2.gz XTVWBHRYFKUYJL-IINYFYTJSA-N 1 2 334.807 1.701 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000265671955 442874191 /nfs/dbraw/zinc/87/41/91/442874191.db2.gz XTVWBHRYFKUYJL-IINYFYTJSA-N 1 2 334.807 1.701 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(C[C@H](C)O)CC1 ZINC000189393049 442939023 /nfs/dbraw/zinc/93/90/23/442939023.db2.gz WAKALCAHABQKFC-FUHWJXTLSA-N 1 2 334.460 1.153 20 30 EDEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1COc2ccccc2O1 ZINC000249510925 442980144 /nfs/dbraw/zinc/98/01/44/442980144.db2.gz PYZWXHMVMNVBCC-KBXCAEBGSA-N 1 2 329.400 1.567 20 30 EDEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1COc2ccccc2O1 ZINC000249510925 442980146 /nfs/dbraw/zinc/98/01/46/442980146.db2.gz PYZWXHMVMNVBCC-KBXCAEBGSA-N 1 2 329.400 1.567 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@H]1O ZINC000249599057 442993906 /nfs/dbraw/zinc/99/39/06/442993906.db2.gz XQNLLWATYGILBI-XJKSGUPXSA-N 1 2 339.399 1.385 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@H]1O ZINC000249599057 442993909 /nfs/dbraw/zinc/99/39/09/442993909.db2.gz XQNLLWATYGILBI-XJKSGUPXSA-N 1 2 339.399 1.385 20 30 EDEDLO Cc1cc(CN2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)on1 ZINC000268610304 443051695 /nfs/dbraw/zinc/05/16/95/443051695.db2.gz KRDCWRPMHACNGY-GOSISDBHSA-N 1 2 326.400 1.706 20 30 EDEDLO COC(=O)CCCc1nc(CO[NH+]=C(N)[C@H](C)OCC(C)C)no1 ZINC000266202142 443055296 /nfs/dbraw/zinc/05/52/96/443055296.db2.gz LSDRHGFDTTYZDL-NSHDSACASA-N 1 2 342.396 1.415 20 30 EDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000266247073 443073321 /nfs/dbraw/zinc/07/33/21/443073321.db2.gz YYQLFCZAUOZSPK-JSGCOSHPSA-N 1 2 337.424 1.265 20 30 EDEDLO Cc1nc(C(C)(C)[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)no1 ZINC000610988058 450398951 /nfs/dbraw/zinc/39/89/51/450398951.db2.gz NQQCGNMEPRBHDN-AWEZNQCLSA-N 1 2 330.388 1.709 20 30 EDEDLO C[C@H]1C[N@H+](Cc2ccccc2C#N)CCN1c1nccn2cnnc12 ZINC000610989817 450399745 /nfs/dbraw/zinc/39/97/45/450399745.db2.gz MCLKCIZFRWTPTF-AWEZNQCLSA-N 1 2 333.399 1.707 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CCN1c1nccn2cnnc12 ZINC000610989817 450399748 /nfs/dbraw/zinc/39/97/48/450399748.db2.gz MCLKCIZFRWTPTF-AWEZNQCLSA-N 1 2 333.399 1.707 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)c1ccccc1F ZINC000264398755 443277330 /nfs/dbraw/zinc/27/73/30/443277330.db2.gz OLMMYCSKDRPYPL-WFASDCNBSA-N 1 2 343.362 1.583 20 30 EDEDLO CC[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@@H]1CCNC1=O ZINC000282528578 443365614 /nfs/dbraw/zinc/36/56/14/443365614.db2.gz YUIWBQCJIMIYOP-QGZVFWFLSA-N 1 2 342.443 1.761 20 30 EDEDLO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@@H]1CCNC1=O ZINC000282528578 443365617 /nfs/dbraw/zinc/36/56/17/443365617.db2.gz YUIWBQCJIMIYOP-QGZVFWFLSA-N 1 2 342.443 1.761 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000264744052 443402358 /nfs/dbraw/zinc/40/23/58/443402358.db2.gz PQEMQXGUASVARL-AWEZNQCLSA-N 1 2 332.452 1.482 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000264744052 443402362 /nfs/dbraw/zinc/40/23/62/443402362.db2.gz PQEMQXGUASVARL-AWEZNQCLSA-N 1 2 332.452 1.482 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)c2ccccc21 ZINC000270589837 443476216 /nfs/dbraw/zinc/47/62/16/443476216.db2.gz BGXVYSXPKKUTSG-CYBMUJFWSA-N 1 2 339.399 1.480 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)c2ccccc21 ZINC000270589837 443476225 /nfs/dbraw/zinc/47/62/25/443476225.db2.gz BGXVYSXPKKUTSG-CYBMUJFWSA-N 1 2 339.399 1.480 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000282905376 443464849 /nfs/dbraw/zinc/46/48/49/443464849.db2.gz FWHZULFMNKEEFY-ZDUSSCGKSA-N 1 2 337.449 1.250 20 30 EDEDLO C=CCN(C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000271388587 443503404 /nfs/dbraw/zinc/50/34/04/443503404.db2.gz KVESEOALHTWTMH-UHFFFAOYSA-N 1 2 342.443 1.687 20 30 EDEDLO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000283069491 443512893 /nfs/dbraw/zinc/51/28/93/443512893.db2.gz XIFSVIGZCGUJST-UHFFFAOYSA-N 1 2 345.451 1.023 20 30 EDEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](CO)C2)sc2c1CCCC2 ZINC000267626132 443519267 /nfs/dbraw/zinc/51/92/67/443519267.db2.gz NOULSTJVLRMQFP-GFCCVEGCSA-N 1 2 349.456 1.520 20 30 EDEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](CO)C2)sc2c1CCCC2 ZINC000267626132 443519269 /nfs/dbraw/zinc/51/92/69/443519269.db2.gz NOULSTJVLRMQFP-GFCCVEGCSA-N 1 2 349.456 1.520 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000273466771 443576819 /nfs/dbraw/zinc/57/68/19/443576819.db2.gz NUVNWZWDWOOICI-UONOGXRCSA-N 1 2 338.408 1.581 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000273466771 443576821 /nfs/dbraw/zinc/57/68/21/443576821.db2.gz NUVNWZWDWOOICI-UONOGXRCSA-N 1 2 338.408 1.581 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccnc3C(N)=O)CC2)cc1 ZINC000279713557 443624425 /nfs/dbraw/zinc/62/44/25/443624425.db2.gz LFTVPDTXGCFKFY-UHFFFAOYSA-N 1 2 349.394 1.010 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnc(Cl)c(C)c2)CC1 ZINC000265303942 443601349 /nfs/dbraw/zinc/60/13/49/443601349.db2.gz GYEYDDROLRUSAJ-UHFFFAOYSA-N 1 2 327.837 1.373 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287372477 443742145 /nfs/dbraw/zinc/74/21/45/443742145.db2.gz MLKTTXRRVXOSHV-IAGOWNOFSA-N 1 2 341.411 1.717 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287372477 443742149 /nfs/dbraw/zinc/74/21/49/443742149.db2.gz MLKTTXRRVXOSHV-IAGOWNOFSA-N 1 2 341.411 1.717 20 30 EDEDLO CO/N=C/c1ccc(C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000276681600 443789673 /nfs/dbraw/zinc/78/96/73/443789673.db2.gz ZSYQLLAWJDERJS-JLWFYQMASA-N 1 2 345.443 1.850 20 30 EDEDLO CO/N=C/c1ccc(C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000276681600 443789676 /nfs/dbraw/zinc/78/96/76/443789676.db2.gz ZSYQLLAWJDERJS-JLWFYQMASA-N 1 2 345.443 1.850 20 30 EDEDLO CC(C)(C)OC(=O)NCc1nc(CO[NH+]=C(N)[C@@H]2CCCO2)no1 ZINC000283868763 443748456 /nfs/dbraw/zinc/74/84/56/443748456.db2.gz CLUXWBBRHKOCGB-VIFPVBQESA-N 1 2 341.368 1.062 20 30 EDEDLO CN(CCCOc1ccccc1)C(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000283988950 443760507 /nfs/dbraw/zinc/76/05/07/443760507.db2.gz GXXDDIHROZXCDI-HNNXBMFYSA-N 1 2 335.404 1.382 20 30 EDEDLO C[C@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1)[NH+]1CCOCC1 ZINC000291609051 443762932 /nfs/dbraw/zinc/76/29/32/443762932.db2.gz JHBAUIZEXPRDPS-NXHRZFHOSA-N 1 2 342.443 1.656 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCN1C ZINC000276781370 443824824 /nfs/dbraw/zinc/82/48/24/443824824.db2.gz UXKDJKMDYPOEGF-LXXRFIIISA-N 1 2 335.411 1.820 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCOc2cccc(C)c2)C1=O ZINC000281212829 443849741 /nfs/dbraw/zinc/84/97/41/443849741.db2.gz DFVNKYBRWMPUPW-QGZVFWFLSA-N 1 2 345.443 1.209 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCOc2cccc(C)c2)C1=O ZINC000281212829 443849743 /nfs/dbraw/zinc/84/97/43/443849743.db2.gz DFVNKYBRWMPUPW-QGZVFWFLSA-N 1 2 345.443 1.209 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCCc2ccc(F)cc2)C1=O ZINC000281407924 443903353 /nfs/dbraw/zinc/90/33/53/443903353.db2.gz QYLIHEZZIOLBHS-WMLDXEAASA-N 1 2 347.434 1.592 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCCc2ccc(F)cc2)C1=O ZINC000281407924 443903359 /nfs/dbraw/zinc/90/33/59/443903359.db2.gz QYLIHEZZIOLBHS-WMLDXEAASA-N 1 2 347.434 1.592 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1cccc(C#N)n1 ZINC000281445468 443913080 /nfs/dbraw/zinc/91/30/80/443913080.db2.gz KMXIDVFKGRKZOP-HOCLYGCPSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1cccc(C#N)n1 ZINC000281445468 443913084 /nfs/dbraw/zinc/91/30/84/443913084.db2.gz KMXIDVFKGRKZOP-HOCLYGCPSA-N 1 2 328.395 1.736 20 30 EDEDLO CC#CC[N@@H+](C)CC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1 ZINC000293301875 443977918 /nfs/dbraw/zinc/97/79/18/443977918.db2.gz WNTOIOQJDFHEBD-OAHLLOKOSA-N 1 2 331.372 1.406 20 30 EDEDLO CC#CC[N@H+](C)CC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1 ZINC000293301875 443977925 /nfs/dbraw/zinc/97/79/25/443977925.db2.gz WNTOIOQJDFHEBD-OAHLLOKOSA-N 1 2 331.372 1.406 20 30 EDEDLO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000285459664 443992837 /nfs/dbraw/zinc/99/28/37/443992837.db2.gz TXYKUQGWMWWJHE-MBNYWOFBSA-N 1 2 340.383 1.621 20 30 EDEDLO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000285459664 443992841 /nfs/dbraw/zinc/99/28/41/443992841.db2.gz TXYKUQGWMWWJHE-MBNYWOFBSA-N 1 2 340.383 1.621 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CSc1ccc(C#N)cc1 ZINC000285625468 444052154 /nfs/dbraw/zinc/05/21/54/444052154.db2.gz CSRQCXNPVKISST-GOEBONIOSA-N 1 2 345.468 1.972 20 30 EDEDLO C#CCN(CC#N)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000281972834 444052222 /nfs/dbraw/zinc/05/22/22/444052222.db2.gz LGDBRATXUVVONY-OAHLLOKOSA-N 1 2 328.391 1.322 20 30 EDEDLO C=CCN1CC[C@H](N(C)c2cc(N3CCSCC3)[nH+]cn2)C1=O ZINC000282055084 444073507 /nfs/dbraw/zinc/07/35/07/444073507.db2.gz ZPZLAOPYPJBOKB-ZDUSSCGKSA-N 1 2 333.461 1.253 20 30 EDEDLO C=CCN1CC[C@H](N(C)c2cc(N3CCSCC3)nc[nH+]2)C1=O ZINC000282055084 444073512 /nfs/dbraw/zinc/07/35/12/444073512.db2.gz ZPZLAOPYPJBOKB-ZDUSSCGKSA-N 1 2 333.461 1.253 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc2c(c1)OCO2 ZINC000299557592 444079296 /nfs/dbraw/zinc/07/92/96/444079296.db2.gz UPKBYTZARFDYEO-UHFFFAOYSA-N 1 2 345.399 1.032 20 30 EDEDLO CCN(CC#N)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000299595165 444090280 /nfs/dbraw/zinc/09/02/80/444090280.db2.gz ZASHWKLKONJMPM-UHFFFAOYSA-N 1 2 330.432 1.185 20 30 EDEDLO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)s1 ZINC000565311888 321181229 /nfs/dbraw/zinc/18/12/29/321181229.db2.gz KZEABKGYYAQXLM-STQMWFEESA-N 1 2 340.470 1.788 20 30 EDEDLO N#Cc1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)s1 ZINC000565311888 321181230 /nfs/dbraw/zinc/18/12/30/321181230.db2.gz KZEABKGYYAQXLM-STQMWFEESA-N 1 2 340.470 1.788 20 30 EDEDLO N#Cc1cc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)ccn1 ZINC000299641657 444103185 /nfs/dbraw/zinc/10/31/85/444103185.db2.gz KMSFMJYUWQLFQI-UHFFFAOYSA-N 1 2 335.411 1.392 20 30 EDEDLO C=CCn1c(C)nnc1N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000282270129 444132677 /nfs/dbraw/zinc/13/26/77/444132677.db2.gz MBQGPUYEFNWBTA-UHFFFAOYSA-N 1 2 346.479 1.297 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000290373580 444273133 /nfs/dbraw/zinc/27/31/33/444273133.db2.gz HOFKLUINLOMUQE-HNNXBMFYSA-N 1 2 338.429 1.202 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000290373580 444273136 /nfs/dbraw/zinc/27/31/36/444273136.db2.gz HOFKLUINLOMUQE-HNNXBMFYSA-N 1 2 338.429 1.202 20 30 EDEDLO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290236196 444257401 /nfs/dbraw/zinc/25/74/01/444257401.db2.gz IXIUXYGCCNYHSX-GJZGRUSLSA-N 1 2 337.445 1.352 20 30 EDEDLO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290236196 444257402 /nfs/dbraw/zinc/25/74/02/444257402.db2.gz IXIUXYGCCNYHSX-GJZGRUSLSA-N 1 2 337.445 1.352 20 30 EDEDLO CCCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000302838655 444226824 /nfs/dbraw/zinc/22/68/24/444226824.db2.gz SPHBUDZWTITHCO-GDBMZVCRSA-N 1 2 341.477 1.084 20 30 EDEDLO CCCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000302838655 444226825 /nfs/dbraw/zinc/22/68/25/444226825.db2.gz SPHBUDZWTITHCO-GDBMZVCRSA-N 1 2 341.477 1.084 20 30 EDEDLO Cn1cnc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000296643315 444244848 /nfs/dbraw/zinc/24/48/48/444244848.db2.gz BXXYTORYNIEHGY-UHFFFAOYSA-N 1 2 325.376 1.036 20 30 EDEDLO C#CCOc1ccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000297130984 444275637 /nfs/dbraw/zinc/27/56/37/444275637.db2.gz SGPWPCLADCTONE-ZWKOTPCHSA-N 1 2 343.427 1.313 20 30 EDEDLO C#CCOc1ccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000297130984 444275639 /nfs/dbraw/zinc/27/56/39/444275639.db2.gz SGPWPCLADCTONE-ZWKOTPCHSA-N 1 2 343.427 1.313 20 30 EDEDLO CC(C)N(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000297416581 444285581 /nfs/dbraw/zinc/28/55/81/444285581.db2.gz DJHTUHQDGRHZSQ-UHFFFAOYSA-N 1 2 328.416 1.069 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340127504 444362612 /nfs/dbraw/zinc/36/26/12/444362612.db2.gz HWUSCTDFMQOTSE-UHFFFAOYSA-N 1 2 340.427 1.972 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](CO)c1cnn(C)c1)CCC2 ZINC000328820008 444363835 /nfs/dbraw/zinc/36/38/35/444363835.db2.gz PTEVPRDXLQWFLH-GXTWGEPZSA-N 1 2 332.408 1.040 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000297804477 444336687 /nfs/dbraw/zinc/33/66/87/444336687.db2.gz NMWZNSCKZDKUNW-INIZCTEOSA-N 1 2 344.459 1.711 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)NCc2cnn(C)c2)C1 ZINC000328630278 444402974 /nfs/dbraw/zinc/40/29/74/444402974.db2.gz PSOUZPJRXYUVNU-CQSZACIVSA-N 1 2 344.419 1.448 20 30 EDEDLO CCN1CCN(C(=O)NCC[C@@H]2CCCO2)C[C@H]1c1[nH+]ccn1C ZINC000328642234 444410132 /nfs/dbraw/zinc/41/01/32/444410132.db2.gz YHZZFRKRUKPNKJ-GJZGRUSLSA-N 1 2 335.452 1.582 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(N2CCNC(=O)C2)nc1)[NH+]1CCSCC1 ZINC000328935630 444411669 /nfs/dbraw/zinc/41/16/69/444411669.db2.gz JGFGJXAJEKEYLZ-GFCCVEGCSA-N 1 2 349.460 1.883 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)C[C@@H]21 ZINC000328947492 444417619 /nfs/dbraw/zinc/41/76/19/444417619.db2.gz VWAWGGBREALWJL-BARDWOONSA-N 1 2 325.453 1.509 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)C[C@@H]21 ZINC000328947492 444417621 /nfs/dbraw/zinc/41/76/21/444417621.db2.gz VWAWGGBREALWJL-BARDWOONSA-N 1 2 325.453 1.509 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)CSCC(=O)N2CCCCC2)C1 ZINC000328668148 444421972 /nfs/dbraw/zinc/42/19/72/444421972.db2.gz DNRUGJPQJFMUET-ZDUSSCGKSA-N 1 2 329.466 1.019 20 30 EDEDLO C[N@H+]1CCO[C@@H](CNC(=O)CSCC(=O)N2CCCCC2)C1 ZINC000328668148 444421978 /nfs/dbraw/zinc/42/19/78/444421978.db2.gz DNRUGJPQJFMUET-ZDUSSCGKSA-N 1 2 329.466 1.019 20 30 EDEDLO CC(=O)NC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCO1 ZINC000328602590 444390284 /nfs/dbraw/zinc/39/02/84/444390284.db2.gz GZEUKYYUQCQULK-UONOGXRCSA-N 1 2 335.408 1.352 20 30 EDEDLO COC(=O)[C@@H]([N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1(OC)CCC1 ZINC000298045007 444395490 /nfs/dbraw/zinc/39/54/90/444395490.db2.gz HTPJCSOTGXDJIY-GOEBONIOSA-N 1 2 345.399 1.517 20 30 EDEDLO COC(=O)[C@@H]([N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1(OC)CCC1 ZINC000298045007 444395495 /nfs/dbraw/zinc/39/54/95/444395495.db2.gz HTPJCSOTGXDJIY-GOEBONIOSA-N 1 2 345.399 1.517 20 30 EDEDLO CCN1CCN(C(=O)NCc2cscn2)C[C@H]1c1[nH+]ccn1C ZINC000328623441 444398486 /nfs/dbraw/zinc/39/84/86/444398486.db2.gz JECHCEOBUQJLEB-ZDUSSCGKSA-N 1 2 334.449 1.669 20 30 EDEDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000331215136 444446976 /nfs/dbraw/zinc/44/69/76/444446976.db2.gz CJUWBBIJLFZWAM-RYUDHWBXSA-N 1 2 343.474 1.397 20 30 EDEDLO CCN1CCN(C(=O)Nc2ccnc(OC)n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328758627 444450739 /nfs/dbraw/zinc/45/07/39/444450739.db2.gz WAXBGFVEOFSGFW-LLVKDONJSA-N 1 2 331.380 1.133 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+]1C[C@@H](C)O ZINC000331240082 444454763 /nfs/dbraw/zinc/45/47/63/444454763.db2.gz WPMJMEVVXYPOPK-NEPJUHHUSA-N 1 2 343.474 1.085 20 30 EDEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1C[C@@H](C)O ZINC000331240082 444454766 /nfs/dbraw/zinc/45/47/66/444454766.db2.gz WPMJMEVVXYPOPK-NEPJUHHUSA-N 1 2 343.474 1.085 20 30 EDEDLO COc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc(Cl)c1O ZINC000331259928 444459385 /nfs/dbraw/zinc/45/93/85/444459385.db2.gz ABVGRRFRBPIMIB-LLVKDONJSA-N 1 2 327.812 1.605 20 30 EDEDLO COc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc(Cl)c1O ZINC000331259928 444459388 /nfs/dbraw/zinc/45/93/88/444459388.db2.gz ABVGRRFRBPIMIB-LLVKDONJSA-N 1 2 327.812 1.605 20 30 EDEDLO CC(C)(C)[C@H]1C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CCO1 ZINC000331332086 444466015 /nfs/dbraw/zinc/46/60/15/444466015.db2.gz SCMIRPMQXIWQHW-SECBINFHSA-N 1 2 325.331 1.326 20 30 EDEDLO CC(C)(C)[C@H]1C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CCO1 ZINC000331332086 444466018 /nfs/dbraw/zinc/46/60/18/444466018.db2.gz SCMIRPMQXIWQHW-SECBINFHSA-N 1 2 325.331 1.326 20 30 EDEDLO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328979801 444432394 /nfs/dbraw/zinc/43/23/94/444432394.db2.gz XOUQKQVWDHSYEA-BXUZGUMPSA-N 1 2 340.449 1.428 20 30 EDEDLO CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328979801 444432395 /nfs/dbraw/zinc/43/23/95/444432395.db2.gz XOUQKQVWDHSYEA-BXUZGUMPSA-N 1 2 340.449 1.428 20 30 EDEDLO Cc1cc(N2CCC(NC(=O)C(C)(C)[NH+]3CCOCC3)CC2)n[nH]1 ZINC000328701430 444434750 /nfs/dbraw/zinc/43/47/50/444434750.db2.gz WRNDTQVWUXPAFK-UHFFFAOYSA-N 1 2 335.452 1.754 20 30 EDEDLO C[C@H](CNC(=O)N[C@@H]1CCCC12CCOCC2)[NH+]1CCOCC1 ZINC000328705653 444436712 /nfs/dbraw/zinc/43/67/12/444436712.db2.gz LDTMVSMZTDVPOU-HUUCEWRRSA-N 1 2 325.453 1.560 20 30 EDEDLO CC1(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCOCC1 ZINC000329120484 444477128 /nfs/dbraw/zinc/47/71/28/444477128.db2.gz KFAMWWKDANGTLC-HNNXBMFYSA-N 1 2 325.453 1.514 20 30 EDEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000580512720 322058889 /nfs/dbraw/zinc/05/88/89/322058889.db2.gz WLUPVGYPWVBRRJ-HNNXBMFYSA-N 1 2 329.448 1.626 20 30 EDEDLO COC[C@@H]1CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)CC(C)(C)O1 ZINC000329207002 444501789 /nfs/dbraw/zinc/50/17/89/444501789.db2.gz FAXMEOQMMVQMOD-KBPBESRZSA-N 1 2 336.436 1.485 20 30 EDEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329210933 444503077 /nfs/dbraw/zinc/50/30/77/444503077.db2.gz ZUUQTXAAWURICS-OSAQELSMSA-N 1 2 340.420 1.790 20 30 EDEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329210933 444503079 /nfs/dbraw/zinc/50/30/79/444503079.db2.gz ZUUQTXAAWURICS-OSAQELSMSA-N 1 2 340.420 1.790 20 30 EDEDLO CC(C)N1C(=O)C[C@H](NC(=O)C2CC[NH+](CC(F)F)CC2)C1=O ZINC000329215624 444503887 /nfs/dbraw/zinc/50/38/87/444503887.db2.gz MZLFGPBHWPDBGD-NSHDSACASA-N 1 2 331.363 1.456 20 30 EDEDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)cn1 ZINC000581943830 322236485 /nfs/dbraw/zinc/23/64/85/322236485.db2.gz ASKFVYCNLHXEGW-HNNXBMFYSA-N 1 2 339.428 1.625 20 30 EDEDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)cn1 ZINC000581943830 322236487 /nfs/dbraw/zinc/23/64/87/322236487.db2.gz ASKFVYCNLHXEGW-HNNXBMFYSA-N 1 2 339.428 1.625 20 30 EDEDLO Cc1nnc([C@H](C)NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)s1 ZINC000329242590 444510436 /nfs/dbraw/zinc/51/04/36/444510436.db2.gz SKZCTYZJFLLOMF-NTZNESFSSA-N 1 2 339.465 1.617 20 30 EDEDLO Cc1noc([C@@H]2CCCCN2C(=O)N[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000329241833 444510533 /nfs/dbraw/zinc/51/05/33/444510533.db2.gz NWNJVTFUDQHNPC-JSGCOSHPSA-N 1 2 337.424 1.540 20 30 EDEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC(=O)N(C)C2)C[C@@H](C)O1 ZINC000329285009 444520775 /nfs/dbraw/zinc/52/07/75/444520775.db2.gz OCJXPSAWOORTNX-ZIAGYGMSSA-N 1 2 346.431 1.573 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000332617690 444522298 /nfs/dbraw/zinc/52/22/98/444522298.db2.gz STSTWURAIXNNCN-BZUAXINKSA-N 1 2 346.475 1.518 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC000332617691 444522418 /nfs/dbraw/zinc/52/24/18/444522418.db2.gz STSTWURAIXNNCN-HRCADAONSA-N 1 2 346.475 1.518 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1COc2ccccc21 ZINC000329316958 444532432 /nfs/dbraw/zinc/53/24/32/444532432.db2.gz FECFCLZNFNBYNH-PMPSAXMXSA-N 1 2 345.443 1.872 20 30 EDEDLO C[C@H]1CCSCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343905642 444660224 /nfs/dbraw/zinc/66/02/24/444660224.db2.gz JKZVCQJQTSCGEW-LBPRGKRZSA-N 1 2 325.459 1.554 20 30 EDEDLO C[C@H]1CCSCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343905642 444660225 /nfs/dbraw/zinc/66/02/25/444660225.db2.gz JKZVCQJQTSCGEW-LBPRGKRZSA-N 1 2 325.459 1.554 20 30 EDEDLO C[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C(=O)N1CCCC[C@@H]1C ZINC000329605368 444645486 /nfs/dbraw/zinc/64/54/86/444645486.db2.gz MBEQLWGUJYLDCC-RWMBFGLXSA-N 1 2 333.436 1.560 20 30 EDEDLO C[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C(=O)N1CCCC[C@@H]1C ZINC000329605368 444645490 /nfs/dbraw/zinc/64/54/90/444645490.db2.gz MBEQLWGUJYLDCC-RWMBFGLXSA-N 1 2 333.436 1.560 20 30 EDEDLO C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCCS(=O)(=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329771312 444711242 /nfs/dbraw/zinc/71/12/42/444711242.db2.gz GTEOSFDISACVJN-MCIONIFRSA-N 1 2 340.449 1.257 20 30 EDEDLO C[C@@H]1CCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000329771312 444711246 /nfs/dbraw/zinc/71/12/46/444711246.db2.gz GTEOSFDISACVJN-MCIONIFRSA-N 1 2 340.449 1.257 20 30 EDEDLO CN(C)c1nccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000341183003 444714435 /nfs/dbraw/zinc/71/44/35/444714435.db2.gz UYOJHHXPUUAISY-UHFFFAOYSA-N 1 2 340.406 1.876 20 30 EDEDLO CN(C)C(=O)CC1CCN(C([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329871339 444747666 /nfs/dbraw/zinc/74/76/66/444747666.db2.gz APSRUTJLWISNFG-OAHLLOKOSA-N 1 2 347.463 1.550 20 30 EDEDLO N#C[C@@H]1N(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC[C@]12CCCCO2 ZINC000329889156 444754341 /nfs/dbraw/zinc/75/43/41/444754341.db2.gz ZUNODRUDXXFZQR-RVKKMQEKSA-N 1 2 328.416 1.899 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CCCOC2)cn1 ZINC000329908285 444763987 /nfs/dbraw/zinc/76/39/87/444763987.db2.gz LPVKTCHRVQPSGF-ZNMIVQPWSA-N 1 2 339.415 1.015 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CCCOC2)cn1 ZINC000329908285 444763990 /nfs/dbraw/zinc/76/39/90/444763990.db2.gz LPVKTCHRVQPSGF-ZNMIVQPWSA-N 1 2 339.415 1.015 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(N4CCCC4=O)c3)C[C@H]21 ZINC000329915220 444767097 /nfs/dbraw/zinc/76/70/97/444767097.db2.gz CZSOLUUHRDERJN-CVEARBPZSA-N 1 2 344.415 1.374 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(N4CCCC4=O)c3)C[C@H]21 ZINC000329915220 444767102 /nfs/dbraw/zinc/76/71/02/444767102.db2.gz CZSOLUUHRDERJN-CVEARBPZSA-N 1 2 344.415 1.374 20 30 EDEDLO Cc1csc([C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C2CC2)n1 ZINC000329935756 444776553 /nfs/dbraw/zinc/77/65/53/444776553.db2.gz RDKLERAPZUPFOA-HZSPNIEDSA-N 1 2 336.461 1.831 20 30 EDEDLO Cc1csc([C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C2CC2)n1 ZINC000329935756 444776557 /nfs/dbraw/zinc/77/65/57/444776557.db2.gz RDKLERAPZUPFOA-HZSPNIEDSA-N 1 2 336.461 1.831 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2C(N)=O)cc1OCCCC#N ZINC000344025865 444735852 /nfs/dbraw/zinc/73/58/52/444735852.db2.gz GNNDBYFWUFGAIH-CABCVRRESA-N 1 2 347.415 1.452 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@H](OC)C[C@H]2C(N)=O)cc1OCCCC#N ZINC000344025865 444735856 /nfs/dbraw/zinc/73/58/56/444735856.db2.gz GNNDBYFWUFGAIH-CABCVRRESA-N 1 2 347.415 1.452 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000341359737 444794451 /nfs/dbraw/zinc/79/44/51/444794451.db2.gz LVUUOIJRCXUOBQ-UHFFFAOYSA-N 1 2 338.411 1.999 20 30 EDEDLO CCN1CCN(C(=O)NCCc2cnccn2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329980118 444797274 /nfs/dbraw/zinc/79/72/74/444797274.db2.gz KRMQSZVZALNIFY-CQSZACIVSA-N 1 2 329.408 1.035 20 30 EDEDLO CC1(C)CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C[C@]2(CCOC2)O1 ZINC000329983659 444798990 /nfs/dbraw/zinc/79/89/90/444798990.db2.gz BLBVXNFTMSMRJK-KSSFIOAISA-N 1 2 348.447 1.629 20 30 EDEDLO O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1CC[S@@](=O)C1 ZINC000329994497 444803838 /nfs/dbraw/zinc/80/38/38/444803838.db2.gz MGVJILRRXKTSIV-GTJPDFRWSA-N 1 2 327.475 1.131 20 30 EDEDLO O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1CC[S@@](=O)C1 ZINC000329994497 444803839 /nfs/dbraw/zinc/80/38/39/444803839.db2.gz MGVJILRRXKTSIV-GTJPDFRWSA-N 1 2 327.475 1.131 20 30 EDEDLO C[C@@H]1C[C@H](CCNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CCO1 ZINC000329964177 444789245 /nfs/dbraw/zinc/78/92/45/444789245.db2.gz QLHYOIVFBZUVIE-BZUAXINKSA-N 1 2 349.479 1.828 20 30 EDEDLO C=CCOc1ccc(C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)OC)cc1 ZINC000336878266 444824756 /nfs/dbraw/zinc/82/47/56/444824756.db2.gz CSILADWQSNYGCZ-OAHLLOKOSA-N 1 2 329.356 1.489 20 30 EDEDLO C=CCOc1ccc(C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)OC)cc1 ZINC000336878266 444824760 /nfs/dbraw/zinc/82/47/60/444824760.db2.gz CSILADWQSNYGCZ-OAHLLOKOSA-N 1 2 329.356 1.489 20 30 EDEDLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000330094744 444842149 /nfs/dbraw/zinc/84/21/49/444842149.db2.gz UEFSMZQRGWBCGA-UHFFFAOYSA-N 1 2 349.398 1.672 20 30 EDEDLO COC(=O)[C@H](NCc1c[nH+]c2ccc(C#N)cn12)c1cccc(O)c1 ZINC000342711611 444829199 /nfs/dbraw/zinc/82/91/99/444829199.db2.gz XJADJOVOIUHTCG-QGZVFWFLSA-N 1 2 336.351 1.915 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2SCCc3ccccc32)C1 ZINC000330198962 444884732 /nfs/dbraw/zinc/88/47/32/444884732.db2.gz UVIAHLQLJPFVLV-ZBFHGGJFSA-N 1 2 335.473 1.851 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2SCCc3ccccc32)C1 ZINC000330198962 444884735 /nfs/dbraw/zinc/88/47/35/444884735.db2.gz UVIAHLQLJPFVLV-ZBFHGGJFSA-N 1 2 335.473 1.851 20 30 EDEDLO COCC1(C#N)CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000341560328 444894635 /nfs/dbraw/zinc/89/46/35/444894635.db2.gz FBDBOPZSWRNHDO-GJZGRUSLSA-N 1 2 338.452 1.057 20 30 EDEDLO C[C@@H]1C(=O)NCCN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330241572 444903301 /nfs/dbraw/zinc/90/33/01/444903301.db2.gz JCGGFZPDZTWKPD-LLVKDONJSA-N 1 2 337.449 1.988 20 30 EDEDLO CC[C@H]1C[N@H+](CCNS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 ZINC000341576560 444903460 /nfs/dbraw/zinc/90/34/60/444903460.db2.gz SNOYFXKXRBMTRD-INIZCTEOSA-N 1 2 337.445 1.088 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 ZINC000341576560 444903463 /nfs/dbraw/zinc/90/34/63/444903463.db2.gz SNOYFXKXRBMTRD-INIZCTEOSA-N 1 2 337.445 1.088 20 30 EDEDLO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](CO)c1ccccc1 ZINC000338938199 444944064 /nfs/dbraw/zinc/94/40/64/444944064.db2.gz HNWKSOXSYSHPIK-GOSISDBHSA-N 1 2 344.436 1.997 20 30 EDEDLO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](CO)c1ccccc1 ZINC000338938199 444944071 /nfs/dbraw/zinc/94/40/71/444944071.db2.gz HNWKSOXSYSHPIK-GOSISDBHSA-N 1 2 344.436 1.997 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000341689180 444949734 /nfs/dbraw/zinc/94/97/34/444949734.db2.gz GZPGZOCWOIYPFF-MRXNPFEDSA-N 1 2 347.459 1.503 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3nc4ccccc4s3)C[C@H]21 ZINC000330356941 444951203 /nfs/dbraw/zinc/95/12/03/444951203.db2.gz SFXCIMZEICEWBW-CHWSQXEVSA-N 1 2 332.429 1.899 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3nc4ccccc4s3)C[C@H]21 ZINC000330356941 444951207 /nfs/dbraw/zinc/95/12/07/444951207.db2.gz SFXCIMZEICEWBW-CHWSQXEVSA-N 1 2 332.429 1.899 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@H]3OCCN(C)[C@H]3C2)cc1 ZINC000330358822 444951754 /nfs/dbraw/zinc/95/17/54/444951754.db2.gz VJAGLYPTAUZHSH-LSDHHAIUSA-N 1 2 348.403 1.198 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@H]3OCCN(C)[C@H]3C2)cc1 ZINC000330358822 444951758 /nfs/dbraw/zinc/95/17/58/444951758.db2.gz VJAGLYPTAUZHSH-LSDHHAIUSA-N 1 2 348.403 1.198 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)CN2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000330358822 444951760 /nfs/dbraw/zinc/95/17/60/444951760.db2.gz VJAGLYPTAUZHSH-LSDHHAIUSA-N 1 2 348.403 1.198 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)CN2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000330358822 444951765 /nfs/dbraw/zinc/95/17/65/444951765.db2.gz VJAGLYPTAUZHSH-LSDHHAIUSA-N 1 2 348.403 1.198 20 30 EDEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)N(CC)CCC#N ZINC000337158665 444967189 /nfs/dbraw/zinc/96/71/89/444967189.db2.gz QZFWSWQOADZZIH-UHFFFAOYSA-N 1 2 341.481 1.638 20 30 EDEDLO CC(C)(CNC(=O)N1CC[C@@H](O)C12CCCC2)[NH+]1CCOCC1 ZINC000330324744 444937054 /nfs/dbraw/zinc/93/70/54/444937054.db2.gz ISSHHXLSHUXHGD-CQSZACIVSA-N 1 2 325.453 1.391 20 30 EDEDLO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@@H]2C(=O)N2CCOCC2)ccc1C#N ZINC000344510240 445023125 /nfs/dbraw/zinc/02/31/25/445023125.db2.gz HGYPMTOMRHZHRS-DLBZAZTESA-N 1 2 331.391 1.638 20 30 EDEDLO Cc1cc(C[N@H+]2C[C@@H](F)C[C@@H]2C(=O)N2CCOCC2)ccc1C#N ZINC000344510240 445023128 /nfs/dbraw/zinc/02/31/28/445023128.db2.gz HGYPMTOMRHZHRS-DLBZAZTESA-N 1 2 331.391 1.638 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000337220464 444991300 /nfs/dbraw/zinc/99/13/00/444991300.db2.gz KMVDAOHRNDWFPB-SWLSCSKDSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000337220464 444991305 /nfs/dbraw/zinc/99/13/05/444991305.db2.gz KMVDAOHRNDWFPB-SWLSCSKDSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(CC(C)C)CC(F)(F)F)C1=O ZINC000337220105 444991403 /nfs/dbraw/zinc/99/14/03/444991403.db2.gz KJDUVHLAOQUYDC-ZDUSSCGKSA-N 1 2 349.397 1.752 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(CC(C)C)CC(F)(F)F)C1=O ZINC000337220105 444991407 /nfs/dbraw/zinc/99/14/07/444991407.db2.gz KJDUVHLAOQUYDC-ZDUSSCGKSA-N 1 2 349.397 1.752 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1F)C1CC1 ZINC000337221037 444991847 /nfs/dbraw/zinc/99/18/47/444991847.db2.gz DOHYTGDRTMTIKT-CJNGLKHVSA-N 1 2 339.798 1.911 20 30 EDEDLO CO[C@@H]1C[C@H](c2nncn2C)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000344501110 445016469 /nfs/dbraw/zinc/01/64/69/445016469.db2.gz BOCZJKRZUAQZCT-HZPDHXFCSA-N 1 2 327.388 1.528 20 30 EDEDLO CO[C@@H]1C[C@H](c2nncn2C)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000344501110 445016471 /nfs/dbraw/zinc/01/64/71/445016471.db2.gz BOCZJKRZUAQZCT-HZPDHXFCSA-N 1 2 327.388 1.528 20 30 EDEDLO COC[C@H]1C[C@H](OC)C[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000344562995 445061723 /nfs/dbraw/zinc/06/17/23/445061723.db2.gz IEXNPSVTDCVHEW-OLZOCXBDSA-N 1 2 337.445 1.911 20 30 EDEDLO COC[C@H]1C[C@H](OC)C[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000344562995 445061729 /nfs/dbraw/zinc/06/17/29/445061729.db2.gz IEXNPSVTDCVHEW-OLZOCXBDSA-N 1 2 337.445 1.911 20 30 EDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCc1c[nH+]cn1C ZINC000339162911 445067369 /nfs/dbraw/zinc/06/73/69/445067369.db2.gz DADDDFSQWWPGDX-UHFFFAOYSA-N 1 2 335.371 1.752 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000341987761 445109725 /nfs/dbraw/zinc/10/97/25/445109725.db2.gz IGUHSGSXHSOBHN-UHFFFAOYSA-N 1 2 345.399 1.648 20 30 EDEDLO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c[nH+]1 ZINC000343168663 445110954 /nfs/dbraw/zinc/11/09/54/445110954.db2.gz JHCIAICBOOFWIX-UHFFFAOYSA-N 1 2 341.346 1.413 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000341994699 445113640 /nfs/dbraw/zinc/11/36/40/445113640.db2.gz RIJQPMWMLLRXOK-UHFFFAOYSA-N 1 2 347.415 1.894 20 30 EDEDLO C=C[C@H](C)NC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000345259919 445175989 /nfs/dbraw/zinc/17/59/89/445175989.db2.gz SQZPNQDTWFSLBT-GHJWDPDVSA-N 1 2 331.420 1.488 20 30 EDEDLO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000337636030 445180941 /nfs/dbraw/zinc/18/09/41/445180941.db2.gz QAALVAJLMLMOEM-OAHLLOKOSA-N 1 2 345.443 1.581 20 30 EDEDLO C=CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000339921419 445182830 /nfs/dbraw/zinc/18/28/30/445182830.db2.gz UKHPLPMKMGRESQ-MRXNPFEDSA-N 1 2 336.457 1.564 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1 ZINC000345374970 445184000 /nfs/dbraw/zinc/18/40/00/445184000.db2.gz HHKNFQUPIAEXIR-HNNXBMFYSA-N 1 2 333.432 1.771 20 30 EDEDLO C=CCOc1ccc(CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC000345374970 445184004 /nfs/dbraw/zinc/18/40/04/445184004.db2.gz HHKNFQUPIAEXIR-HNNXBMFYSA-N 1 2 333.432 1.771 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337598594 445159283 /nfs/dbraw/zinc/15/92/83/445159283.db2.gz CBPLTEPUVXEAIA-RDTXWAMCSA-N 1 2 336.395 1.894 20 30 EDEDLO CN(C)C(=O)COC[C@H]1C[N@H+](C[C@H](C#N)CCC#N)CC(C)(C)O1 ZINC000343338402 445204316 /nfs/dbraw/zinc/20/43/16/445204316.db2.gz JVKHNAZFXCAALH-LSDHHAIUSA-N 1 2 336.436 1.014 20 30 EDEDLO CN(C)C(=O)COC[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)CC(C)(C)O1 ZINC000343338402 445204319 /nfs/dbraw/zinc/20/43/19/445204319.db2.gz JVKHNAZFXCAALH-LSDHHAIUSA-N 1 2 336.436 1.014 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C[C@H]1C ZINC000346304983 445211519 /nfs/dbraw/zinc/21/15/19/445211519.db2.gz DBPNUJNKJKJTNK-MNOVXSKESA-N 1 2 334.445 1.935 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C[C@H]1C ZINC000346304983 445211521 /nfs/dbraw/zinc/21/15/21/445211521.db2.gz DBPNUJNKJKJTNK-MNOVXSKESA-N 1 2 334.445 1.935 20 30 EDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000347076470 445231050 /nfs/dbraw/zinc/23/10/50/445231050.db2.gz MBJLOQNNQQTOMI-KEYYUXOJSA-N 1 2 343.431 1.527 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000359842411 445455585 /nfs/dbraw/zinc/45/55/85/445455585.db2.gz QLXDOXBMYJUXSU-QGZVFWFLSA-N 1 2 336.457 1.986 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@]1(CO)CCOC1 ZINC000359842411 445455590 /nfs/dbraw/zinc/45/55/90/445455590.db2.gz QLXDOXBMYJUXSU-QGZVFWFLSA-N 1 2 336.457 1.986 20 30 EDEDLO CCCN1C(=O)CC[C@H](C(=O)N[C@@H](C#N)CC)[C@H]1c1c[nH+]cn1C ZINC000355461597 445462644 /nfs/dbraw/zinc/46/26/44/445462644.db2.gz VZJQYEFSLDMQNS-WWGRRREGSA-N 1 2 331.420 1.528 20 30 EDEDLO C[C@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000357270463 445518497 /nfs/dbraw/zinc/51/84/97/445518497.db2.gz GPQBSGHGCFGUMC-CYBMUJFWSA-N 1 2 340.345 1.894 20 30 EDEDLO N#CC1(F)CC[NH+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000352466738 445532435 /nfs/dbraw/zinc/53/24/35/445532435.db2.gz FEGSILVJDIOCDV-INIZCTEOSA-N 1 2 344.434 1.957 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@H]1COC[C@@H]1O ZINC000352794872 445556450 /nfs/dbraw/zinc/55/64/50/445556450.db2.gz SAHOXRMMZULOOA-KCXAZCMYSA-N 1 2 335.379 1.152 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352794872 445556452 /nfs/dbraw/zinc/55/64/52/445556452.db2.gz SAHOXRMMZULOOA-KCXAZCMYSA-N 1 2 335.379 1.152 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352683487 445548659 /nfs/dbraw/zinc/54/86/59/445548659.db2.gz AZRANTGFZBSAGY-SCRDCRAPSA-N 1 2 335.370 1.534 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352683487 445548663 /nfs/dbraw/zinc/54/86/63/445548663.db2.gz AZRANTGFZBSAGY-SCRDCRAPSA-N 1 2 335.370 1.534 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000349639234 445630611 /nfs/dbraw/zinc/63/06/11/445630611.db2.gz QWRSPYLLTZZHNR-OAHLLOKOSA-N 1 2 341.477 1.054 20 30 EDEDLO C=CCCC1(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000356295646 445723042 /nfs/dbraw/zinc/72/30/42/445723042.db2.gz KDZRACZDLXFHGZ-MRXNPFEDSA-N 1 2 333.476 1.888 20 30 EDEDLO C[NH+]1CCN(C(=O)c2ccc(-c3noc(CCCC#N)n3)cn2)CC1 ZINC000361261894 445757320 /nfs/dbraw/zinc/75/73/20/445757320.db2.gz HNFNMCVIHFBTSJ-UHFFFAOYSA-N 1 2 340.387 1.365 20 30 EDEDLO Cn1ncc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1C#N ZINC000353791434 445757710 /nfs/dbraw/zinc/75/77/10/445757710.db2.gz KFZJOHKMHDNHPX-MRXNPFEDSA-N 1 2 339.399 1.095 20 30 EDEDLO C[NH+](C)[C@@]1(C(=O)Nc2ccn(CCC#N)n2)CCOc2ccccc21 ZINC000361479675 445779746 /nfs/dbraw/zinc/77/97/46/445779746.db2.gz WZUTZJICAJWVKL-SFHVURJKSA-N 1 2 339.399 1.975 20 30 EDEDLO COc1cc[nH+]cc1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000353849481 445783456 /nfs/dbraw/zinc/78/34/56/445783456.db2.gz SZOJXHUUXWAUQZ-UHFFFAOYSA-N 1 2 345.380 1.515 20 30 EDEDLO CN(C)c1ncc(C[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)cn1 ZINC000356443922 445792334 /nfs/dbraw/zinc/79/23/34/445792334.db2.gz AMVJSLYSGNMYIY-UHFFFAOYSA-N 1 2 338.415 1.162 20 30 EDEDLO CN(C)c1ncc(C[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)cn1 ZINC000356443922 445792336 /nfs/dbraw/zinc/79/23/36/445792336.db2.gz AMVJSLYSGNMYIY-UHFFFAOYSA-N 1 2 338.415 1.162 20 30 EDEDLO Cc1cc(NC(=O)NCC(=O)NCC#N)c[nH+]c1N1CCCC[C@H]1C ZINC000350784068 445906635 /nfs/dbraw/zinc/90/66/35/445906635.db2.gz CBNPUFNHBDEXSD-CYBMUJFWSA-N 1 2 344.419 1.530 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000359046310 445909131 /nfs/dbraw/zinc/90/91/31/445909131.db2.gz UKFUHFKVNZIFCT-CYBMUJFWSA-N 1 2 325.372 1.616 20 30 EDEDLO CCCN1C(=O)CC[C@H](C(=O)N[C@@H](C#N)C(C)C)[C@@H]1c1c[nH+]cn1C ZINC000361881533 446037781 /nfs/dbraw/zinc/03/77/81/446037781.db2.gz VESSXSNVKCRTCB-GRDNDAEWSA-N 1 2 345.447 1.774 20 30 EDEDLO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369226329 446005074 /nfs/dbraw/zinc/00/50/74/446005074.db2.gz ULYAQNLJLFLMSF-AWEZNQCLSA-N 1 2 343.431 1.561 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000369301996 446057347 /nfs/dbraw/zinc/05/73/47/446057347.db2.gz GTFUAMFOLCCLSA-GJYPPUQNSA-N 1 2 349.475 1.940 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000369301996 446057352 /nfs/dbraw/zinc/05/73/52/446057352.db2.gz GTFUAMFOLCCLSA-GJYPPUQNSA-N 1 2 349.475 1.940 20 30 EDEDLO COc1cncc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC000369353905 446096381 /nfs/dbraw/zinc/09/63/81/446096381.db2.gz JHDDOSPYDXZCPS-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO C=CCCOCCNC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000370209116 446191954 /nfs/dbraw/zinc/19/19/54/446191954.db2.gz DMQWCMIUEBFDRY-HNNXBMFYSA-N 1 2 333.436 1.285 20 30 EDEDLO C=CCCOCCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000370209116 446191959 /nfs/dbraw/zinc/19/19/59/446191959.db2.gz DMQWCMIUEBFDRY-HNNXBMFYSA-N 1 2 333.436 1.285 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000359530913 446278455 /nfs/dbraw/zinc/27/84/55/446278455.db2.gz NVFNUSNBMZGEAV-AWEZNQCLSA-N 1 2 336.342 1.244 20 30 EDEDLO O=C1CO[C@@H]2CC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 ZINC000366785638 446350704 /nfs/dbraw/zinc/35/07/04/446350704.db2.gz HOLHBSDEMJFSHB-HUUCEWRRSA-N 1 2 338.329 1.646 20 30 EDEDLO O=C1CO[C@@H]2CC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C[C@H]2N1 ZINC000366785638 446350709 /nfs/dbraw/zinc/35/07/09/446350709.db2.gz HOLHBSDEMJFSHB-HUUCEWRRSA-N 1 2 338.329 1.646 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000370695973 446391397 /nfs/dbraw/zinc/39/13/97/446391397.db2.gz AKRWMHBTYJSWLV-QAPCUYQASA-N 1 2 335.448 1.599 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000370695973 446391401 /nfs/dbraw/zinc/39/14/01/446391401.db2.gz AKRWMHBTYJSWLV-QAPCUYQASA-N 1 2 335.448 1.599 20 30 EDEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000366956298 446426321 /nfs/dbraw/zinc/42/63/21/446426321.db2.gz YMFDGCVQVOMOMI-INIZCTEOSA-N 1 2 331.416 1.352 20 30 EDEDLO CNC(=O)NC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000412051152 446814298 /nfs/dbraw/zinc/81/42/98/446814298.db2.gz AZJISVJFKMRRAM-UHFFFAOYSA-N 1 2 349.460 1.569 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3nc(N)ns3)CC2)c(Cl)c1 ZINC000439427107 446815544 /nfs/dbraw/zinc/81/55/44/446815544.db2.gz AJRCVFJOTQACLF-UHFFFAOYSA-N 1 2 334.836 1.968 20 30 EDEDLO N#Cc1ccc([N+](=O)[O-])c(NC[C@]2([NH+]3CCOCC3)CCCOC2)c1 ZINC000368425602 446854713 /nfs/dbraw/zinc/85/47/13/446854713.db2.gz GCEHYALMPNHUCY-QGZVFWFLSA-N 1 2 346.387 1.760 20 30 EDEDLO C=CCC1(C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CCOCC1 ZINC000424657274 446921612 /nfs/dbraw/zinc/92/16/12/446921612.db2.gz ZWVWMHAOUKVTSN-UHFFFAOYSA-N 1 2 332.448 1.437 20 30 EDEDLO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000420957179 446927373 /nfs/dbraw/zinc/92/73/73/446927373.db2.gz OBLQIJAVIATBNM-PWSUYJOCSA-N 1 2 346.456 1.646 20 30 EDEDLO CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000420957179 446927379 /nfs/dbraw/zinc/92/73/79/446927379.db2.gz OBLQIJAVIATBNM-PWSUYJOCSA-N 1 2 346.456 1.646 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CC[C@H](C#N)C1)CC2 ZINC000424966955 446977977 /nfs/dbraw/zinc/97/79/77/446977977.db2.gz OKHOVSZOVXWGMU-XJKSGUPXSA-N 1 2 343.427 1.870 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CC[C@H](C#N)C1)CC2 ZINC000424966955 446977984 /nfs/dbraw/zinc/97/79/84/446977984.db2.gz OKHOVSZOVXWGMU-XJKSGUPXSA-N 1 2 343.427 1.870 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1ccnc1C(=O)c1ccc(F)cc1 ZINC000414131599 447276196 /nfs/dbraw/zinc/27/61/96/447276196.db2.gz ZPEWKKXCSBGPHQ-OAHLLOKOSA-N 1 2 330.363 1.460 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1ccnc1C(=O)c1ccc(F)cc1 ZINC000414131599 447276198 /nfs/dbraw/zinc/27/61/98/447276198.db2.gz ZPEWKKXCSBGPHQ-OAHLLOKOSA-N 1 2 330.363 1.460 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450462472 447497727 /nfs/dbraw/zinc/49/77/27/447497727.db2.gz GTZOMJHJSHYGJV-AWEZNQCLSA-N 1 2 338.371 1.967 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450462472 447497732 /nfs/dbraw/zinc/49/77/32/447497732.db2.gz GTZOMJHJSHYGJV-AWEZNQCLSA-N 1 2 338.371 1.967 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccncn3)CC2)cc1 ZINC000459151406 447596634 /nfs/dbraw/zinc/59/66/34/447596634.db2.gz OZYUJFNKVVEUIN-UHFFFAOYSA-N 1 2 336.399 1.376 20 30 EDEDLO CC[NH+]1C[C@H](C)N(CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H](C)C1 ZINC000459468234 447676838 /nfs/dbraw/zinc/67/68/38/447676838.db2.gz SKKKBZOPKQPLHK-KBPBESRZSA-N 1 2 336.461 1.141 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000451640491 447742639 /nfs/dbraw/zinc/74/26/39/447742639.db2.gz DSTXJXLPTZAFEZ-LBPRGKRZSA-N 1 2 333.388 1.290 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000451640491 447742643 /nfs/dbraw/zinc/74/26/43/447742643.db2.gz DSTXJXLPTZAFEZ-LBPRGKRZSA-N 1 2 333.388 1.290 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429557507 447750729 /nfs/dbraw/zinc/75/07/29/447750729.db2.gz CAJWZSBYHBYOGK-QDOIMOTRSA-N 1 2 337.485 1.998 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000429557507 447750731 /nfs/dbraw/zinc/75/07/31/447750731.db2.gz CAJWZSBYHBYOGK-QDOIMOTRSA-N 1 2 337.485 1.998 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000430410401 447773763 /nfs/dbraw/zinc/77/37/63/447773763.db2.gz WHYFMLMCSGOGJL-HOCLYGCPSA-N 1 2 346.431 1.144 20 30 EDEDLO N#CCC(=O)N1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000496416386 447774256 /nfs/dbraw/zinc/77/42/56/447774256.db2.gz NVCJOAQXFZNUNW-HNNXBMFYSA-N 1 2 328.372 1.070 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451915084 447783052 /nfs/dbraw/zinc/78/30/52/447783052.db2.gz VCBOXOBWSBRHJZ-GXFFZTMASA-N 1 2 345.321 1.952 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(C#N)c1C ZINC000451915084 447783053 /nfs/dbraw/zinc/78/30/53/447783053.db2.gz VCBOXOBWSBRHJZ-GXFFZTMASA-N 1 2 345.321 1.952 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000491165780 447945952 /nfs/dbraw/zinc/94/59/52/447945952.db2.gz NEICBGHPHRNFNA-GOEBONIOSA-N 1 2 347.436 1.588 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000491165780 447945956 /nfs/dbraw/zinc/94/59/56/447945956.db2.gz NEICBGHPHRNFNA-GOEBONIOSA-N 1 2 347.436 1.588 20 30 EDEDLO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000497208010 447959976 /nfs/dbraw/zinc/95/99/76/447959976.db2.gz FIKNESUOJAZQSU-WMLDXEAASA-N 1 2 338.452 1.641 20 30 EDEDLO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000497208010 447959980 /nfs/dbraw/zinc/95/99/80/447959980.db2.gz FIKNESUOJAZQSU-WMLDXEAASA-N 1 2 338.452 1.641 20 30 EDEDLO C#CCNC(=O)CC[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000491123046 447931229 /nfs/dbraw/zinc/93/12/29/447931229.db2.gz ZEVJKSJYGNFMRB-UHFFFAOYSA-N 1 2 345.424 1.392 20 30 EDEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000496882263 447998686 /nfs/dbraw/zinc/99/86/86/447998686.db2.gz IVGUSTJUBYPVLU-AWEZNQCLSA-N 1 2 336.436 1.492 20 30 EDEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000496882263 447998691 /nfs/dbraw/zinc/99/86/91/447998691.db2.gz IVGUSTJUBYPVLU-AWEZNQCLSA-N 1 2 336.436 1.492 20 30 EDEDLO C#C[C@@H]1COCCN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000491483391 448039751 /nfs/dbraw/zinc/03/97/51/448039751.db2.gz BQAXOWJCAZNDQC-CJNGLKHVSA-N 1 2 342.374 1.692 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)OC(C)(C)C)C2CCOCC2)C1=O ZINC000576403760 448046229 /nfs/dbraw/zinc/04/62/29/448046229.db2.gz YCORZEMEPRNROU-HNNXBMFYSA-N 1 2 338.448 1.596 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](CC(=O)OC(C)(C)C)C2CCOCC2)C1=O ZINC000576403760 448046232 /nfs/dbraw/zinc/04/62/32/448046232.db2.gz YCORZEMEPRNROU-HNNXBMFYSA-N 1 2 338.448 1.596 20 30 EDEDLO C#CC(C)(C)[N@@H+](C)Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC ZINC000491568247 448058994 /nfs/dbraw/zinc/05/89/94/448058994.db2.gz PRRJGGWJDYPVDS-UHFFFAOYSA-N 1 2 345.447 1.962 20 30 EDEDLO C#CC(C)(C)[N@H+](C)Cc1nc2c(c(=O)[nH]c(=O)n2CCCC)n1CC ZINC000491568247 448059000 /nfs/dbraw/zinc/05/90/00/448059000.db2.gz PRRJGGWJDYPVDS-UHFFFAOYSA-N 1 2 345.447 1.962 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000507464681 448143374 /nfs/dbraw/zinc/14/33/74/448143374.db2.gz BWENQPWEVHXTOE-HOTGVXAUSA-N 1 2 331.464 1.495 20 30 EDEDLO C[N@@H+]1CCN(C(=O)C#CC(C)(C)C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000497096156 448196119 /nfs/dbraw/zinc/19/61/19/448196119.db2.gz FAEYYUDJIZQAIJ-CQSZACIVSA-N 1 2 337.464 1.703 20 30 EDEDLO C[N@H+]1CCN(C(=O)C#CC(C)(C)C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000497096156 448196125 /nfs/dbraw/zinc/19/61/25/448196125.db2.gz FAEYYUDJIZQAIJ-CQSZACIVSA-N 1 2 337.464 1.703 20 30 EDEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000571766485 448202726 /nfs/dbraw/zinc/20/27/26/448202726.db2.gz WDBGCTZPOQGWRQ-WBMJQRKESA-N 1 2 336.461 1.919 20 30 EDEDLO Cc1csc(N2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)n1 ZINC000527300173 448205605 /nfs/dbraw/zinc/20/56/05/448205605.db2.gz UGHGZHMUAWNCLV-CYBMUJFWSA-N 1 2 333.461 1.525 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000561986873 448239932 /nfs/dbraw/zinc/23/99/32/448239932.db2.gz CDJKHJGMBAPJGE-BEFAXECRSA-N 1 2 344.459 1.678 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000561986873 448239935 /nfs/dbraw/zinc/23/99/35/448239935.db2.gz CDJKHJGMBAPJGE-BEFAXECRSA-N 1 2 344.459 1.678 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)C=Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000492759758 448282150 /nfs/dbraw/zinc/28/21/50/448282150.db2.gz CQVJFTJRZLHRQV-WHWKNOJMSA-N 1 2 335.367 1.606 20 30 EDEDLO Cn1cc[nH+]c1[C@H](CC(=O)N1CCSC[C@@H]1C#N)C(F)(F)F ZINC000565192423 448358720 /nfs/dbraw/zinc/35/87/20/448358720.db2.gz OUBSFIJUYJJEKN-UWVGGRQHSA-N 1 2 332.351 1.924 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000564458030 448329730 /nfs/dbraw/zinc/32/97/30/448329730.db2.gz MKFQRCKEYIVJJM-PXAZEXFGSA-N 1 2 348.834 1.653 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(C(C)(C)C)n2C2CC2)CC1 ZINC000584000124 448468938 /nfs/dbraw/zinc/46/89/38/448468938.db2.gz OHJWHHMHQUOILH-UHFFFAOYSA-N 1 2 346.479 1.335 20 30 EDEDLO CC(=O)N1CCCc2cc(NC[C@H](O)C[N@H+](C)CCC#N)ccc21 ZINC000591773827 448488604 /nfs/dbraw/zinc/48/86/04/448488604.db2.gz DSTXNBOJINYFMA-KRWDZBQOSA-N 1 2 330.432 1.604 20 30 EDEDLO CC(=O)N1CCCc2cc(NC[C@H](O)C[N@@H+](C)CCC#N)ccc21 ZINC000591773827 448488606 /nfs/dbraw/zinc/48/86/06/448488606.db2.gz DSTXNBOJINYFMA-KRWDZBQOSA-N 1 2 330.432 1.604 20 30 EDEDLO COc1ccc(COCCCC(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000584354574 448497214 /nfs/dbraw/zinc/49/72/14/448497214.db2.gz RCHKMNQXDLWQCP-GOSISDBHSA-N 1 2 333.432 1.952 20 30 EDEDLO N#CC[C@]1(O)CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000591904289 448559986 /nfs/dbraw/zinc/55/99/86/448559986.db2.gz WESZTQRTTPNNSI-HNNXBMFYSA-N 1 2 333.779 1.548 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000573194632 448564784 /nfs/dbraw/zinc/56/47/84/448564784.db2.gz KANYNPWCWYEAJN-ILXRZTDVSA-N 1 2 336.457 1.829 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2c2ccccn2)nc1 ZINC000578613478 448590993 /nfs/dbraw/zinc/59/09/93/448590993.db2.gz MVTDIZUXIKHMJM-INIZCTEOSA-N 1 2 342.424 1.959 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2c2ccccn2)nc1 ZINC000578613478 448590998 /nfs/dbraw/zinc/59/09/98/448590998.db2.gz MVTDIZUXIKHMJM-INIZCTEOSA-N 1 2 342.424 1.959 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000592148952 448709237 /nfs/dbraw/zinc/70/92/37/448709237.db2.gz FVYTWZPCAPCHDW-AWEZNQCLSA-N 1 2 343.305 1.874 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000592148952 448709238 /nfs/dbraw/zinc/70/92/38/448709238.db2.gz FVYTWZPCAPCHDW-AWEZNQCLSA-N 1 2 343.305 1.874 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000592148136 448709525 /nfs/dbraw/zinc/70/95/25/448709525.db2.gz RIISBZSVQASZME-HNNXBMFYSA-N 1 2 325.315 1.577 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000592148136 448709530 /nfs/dbraw/zinc/70/95/30/448709530.db2.gz RIISBZSVQASZME-HNNXBMFYSA-N 1 2 325.315 1.577 20 30 EDEDLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149910 448709794 /nfs/dbraw/zinc/70/97/94/448709794.db2.gz ZPTLQFGAQAIXRY-MRXNPFEDSA-N 1 2 337.807 1.315 20 30 EDEDLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149910 448709799 /nfs/dbraw/zinc/70/97/99/448709799.db2.gz ZPTLQFGAQAIXRY-MRXNPFEDSA-N 1 2 337.807 1.315 20 30 EDEDLO Cn1c(C[N@@H+]2CC[C@@](O)(CC#N)C2)nnc1-c1ccc(Cl)cc1 ZINC000592150250 448710882 /nfs/dbraw/zinc/71/08/82/448710882.db2.gz BOOKLLIGQMSGDU-INIZCTEOSA-N 1 2 331.807 1.986 20 30 EDEDLO Cn1c(C[N@H+]2CC[C@@](O)(CC#N)C2)nnc1-c1ccc(Cl)cc1 ZINC000592150250 448710886 /nfs/dbraw/zinc/71/08/86/448710886.db2.gz BOOKLLIGQMSGDU-INIZCTEOSA-N 1 2 331.807 1.986 20 30 EDEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150487 448711729 /nfs/dbraw/zinc/71/17/29/448711729.db2.gz DJNRVGSRGIFQSN-ZBEGNZNMSA-N 1 2 330.413 1.974 20 30 EDEDLO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150487 448711734 /nfs/dbraw/zinc/71/17/34/448711734.db2.gz DJNRVGSRGIFQSN-ZBEGNZNMSA-N 1 2 330.413 1.974 20 30 EDEDLO C=CCSCCNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000585776327 448760776 /nfs/dbraw/zinc/76/07/76/448760776.db2.gz JKJQQNMTQVBNSL-UHFFFAOYSA-N 1 2 333.457 1.154 20 30 EDEDLO CCCCN(C(=O)C[NH2+][C@H](CC)CC#N)[C@H]1CCS(=O)(=O)C1 ZINC000574170779 448809210 /nfs/dbraw/zinc/80/92/10/448809210.db2.gz SCDBEKGNGCXYRI-KGLIPLIRSA-N 1 2 329.466 1.084 20 30 EDEDLO CSCc1nc2ccccc2n1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000579544325 448815228 /nfs/dbraw/zinc/81/52/28/448815228.db2.gz NTKPJZFXLCHOIC-QGZVFWFLSA-N 1 2 345.472 1.859 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(C)CC(=O)Nc1cccc(OC)c1 ZINC000574582201 448909602 /nfs/dbraw/zinc/90/96/02/448909602.db2.gz UXYHFIUKOHUINF-ZDUSSCGKSA-N 1 2 332.404 1.374 20 30 EDEDLO Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000568853189 448926906 /nfs/dbraw/zinc/92/69/06/448926906.db2.gz QIKBIRSTSPICCE-QGZVFWFLSA-N 1 2 328.420 1.894 20 30 EDEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)NCc3ccccc3)CC2)C1 ZINC000568988193 448949667 /nfs/dbraw/zinc/94/96/67/448949667.db2.gz YHDNJMSNVITURJ-SJORKVTESA-N 1 2 348.472 1.331 20 30 EDEDLO N#C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000580555999 448951165 /nfs/dbraw/zinc/95/11/65/448951165.db2.gz XERJLDYEFIUDOO-DZGCQCFKSA-N 1 2 330.413 1.902 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)cc1 ZINC000588842913 448936925 /nfs/dbraw/zinc/93/69/25/448936925.db2.gz LLBSXIBSKNYLNF-CQSZACIVSA-N 1 2 325.372 1.583 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)cc1 ZINC000588842913 448936931 /nfs/dbraw/zinc/93/69/31/448936931.db2.gz LLBSXIBSKNYLNF-CQSZACIVSA-N 1 2 325.372 1.583 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000569311998 448998343 /nfs/dbraw/zinc/99/83/43/448998343.db2.gz VTJVCHXIHUKTGW-SJORKVTESA-N 1 2 330.432 1.642 20 30 EDEDLO N#Cc1cccc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)n1 ZINC000589461540 449020462 /nfs/dbraw/zinc/02/04/62/449020462.db2.gz BUPFVKLKNSKHGJ-UHFFFAOYSA-N 1 2 335.367 1.049 20 30 EDEDLO N#Cc1cccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)n1 ZINC000589461540 449020466 /nfs/dbraw/zinc/02/04/66/449020466.db2.gz BUPFVKLKNSKHGJ-UHFFFAOYSA-N 1 2 335.367 1.049 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000569426824 449022786 /nfs/dbraw/zinc/02/27/86/449022786.db2.gz HTDFNXPUWVTFCS-MRXNPFEDSA-N 1 2 328.478 1.312 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000569426824 449022790 /nfs/dbraw/zinc/02/27/90/449022790.db2.gz HTDFNXPUWVTFCS-MRXNPFEDSA-N 1 2 328.478 1.312 20 30 EDEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000593577837 449086039 /nfs/dbraw/zinc/08/60/39/449086039.db2.gz BEVJBCUHPUNIFJ-CQSZACIVSA-N 1 2 344.440 1.978 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCN1Cc1ccccc1 ZINC000569579221 449049400 /nfs/dbraw/zinc/04/94/00/449049400.db2.gz GXMJYZIWYVENNH-IEBWSBKVSA-N 1 2 349.438 1.682 20 30 EDEDLO CC[C@H](C(N)=O)[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595727114 449133670 /nfs/dbraw/zinc/13/36/70/449133670.db2.gz WTAUGJYBDXBNKE-MRXNPFEDSA-N 1 2 338.415 1.334 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc(C#N)cc1)C(C)(C)CO ZINC000597848072 449121801 /nfs/dbraw/zinc/12/18/01/449121801.db2.gz SMWDDWZJQKHWQU-INIZCTEOSA-N 1 2 342.399 1.547 20 30 EDEDLO Cc1cc(N2C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC2=O)ccc1F ZINC000593154749 449153848 /nfs/dbraw/zinc/15/38/48/449153848.db2.gz BASPJEAEVKCWHQ-UGSOOPFHSA-N 1 2 346.406 1.447 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCC[C@@H]1C#N ZINC000601806873 449163115 /nfs/dbraw/zinc/16/31/15/449163115.db2.gz JGJPNOFQENNPEV-CVEARBPZSA-N 1 2 327.432 1.354 20 30 EDEDLO COc1cc(NC(=O)C(=O)N[C@H](C)c2[nH+]ccn2C)c(F)cc1C#N ZINC000599998802 449143746 /nfs/dbraw/zinc/14/37/46/449143746.db2.gz AFICBLGXJNWYEJ-SECBINFHSA-N 1 2 345.334 1.255 20 30 EDEDLO N#CC1(CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCCC1 ZINC000593787020 449196835 /nfs/dbraw/zinc/19/68/35/449196835.db2.gz PBIYGSVSGGBJEV-UHFFFAOYSA-N 1 2 328.416 1.728 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595836417 449199184 /nfs/dbraw/zinc/19/91/84/449199184.db2.gz ZINQZLQLYYLBQL-APWZRJJASA-N 1 2 326.444 1.959 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595836417 449199187 /nfs/dbraw/zinc/19/91/87/449199187.db2.gz ZINQZLQLYYLBQL-APWZRJJASA-N 1 2 326.444 1.959 20 30 EDEDLO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840250 449200730 /nfs/dbraw/zinc/20/07/30/449200730.db2.gz PXWOSJYVUWJFKA-VCBZYWHSSA-N 1 2 343.427 1.909 20 30 EDEDLO C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595840250 449200737 /nfs/dbraw/zinc/20/07/37/449200737.db2.gz PXWOSJYVUWJFKA-VCBZYWHSSA-N 1 2 343.427 1.909 20 30 EDEDLO C[C@]1(C#N)CC[N@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000595841047 449201436 /nfs/dbraw/zinc/20/14/36/449201436.db2.gz USHDGGQAZPIVEN-RHSMWYFYSA-N 1 2 328.372 1.100 20 30 EDEDLO C[C@]1(C#N)CC[N@@H+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000595841047 449201439 /nfs/dbraw/zinc/20/14/39/449201439.db2.gz USHDGGQAZPIVEN-RHSMWYFYSA-N 1 2 328.372 1.100 20 30 EDEDLO C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175287 449202225 /nfs/dbraw/zinc/20/22/25/449202225.db2.gz ZLFRGGVIKAZUCB-IRXDYDNUSA-N 1 2 336.480 1.229 20 30 EDEDLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2C#N)C(=O)N1c1cnn(C)c1 ZINC000602011646 449273183 /nfs/dbraw/zinc/27/31/83/449273183.db2.gz OTNGEIFLVZRGMI-MEDUHNTESA-N 1 2 327.363 1.714 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000601968472 449252161 /nfs/dbraw/zinc/25/21/61/449252161.db2.gz LVHXSVGAKWXOJT-GFCCVEGCSA-N 1 2 332.385 1.057 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCC(=O)NC1CCN(CC#N)CC1 ZINC000613942095 449392927 /nfs/dbraw/zinc/39/29/27/449392927.db2.gz GUDYGPAYFFIKEX-UHFFFAOYSA-N 1 2 325.416 1.839 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000614219350 449513425 /nfs/dbraw/zinc/51/34/25/449513425.db2.gz KTKPIVZOGZTVGS-HFTRVMKXSA-N 1 2 346.427 1.766 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000614219350 449513433 /nfs/dbraw/zinc/51/34/33/449513433.db2.gz KTKPIVZOGZTVGS-HFTRVMKXSA-N 1 2 346.427 1.766 20 30 EDEDLO CCOC(=O)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)[nH]1 ZINC000602423807 449576665 /nfs/dbraw/zinc/57/66/65/449576665.db2.gz HMFCAMUDKJYTQS-UHFFFAOYSA-N 1 2 334.420 1.239 20 30 EDEDLO Cc1c(Cl)cnc(N2CCN(Cc3[nH+]ccn3C)CC2)c1C#N ZINC000612078002 449554611 /nfs/dbraw/zinc/55/46/11/449554611.db2.gz ZLGLRGAENSADBY-UHFFFAOYSA-N 1 2 330.823 1.971 20 30 EDEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612161412 449593781 /nfs/dbraw/zinc/59/37/81/449593781.db2.gz BHOAKWSFKMBXFB-IBGZPJMESA-N 1 2 348.491 1.717 20 30 EDEDLO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612161412 449593786 /nfs/dbraw/zinc/59/37/86/449593786.db2.gz BHOAKWSFKMBXFB-IBGZPJMESA-N 1 2 348.491 1.717 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000596688734 449607498 /nfs/dbraw/zinc/60/74/98/449607498.db2.gz UBFLSQRVHSFKKP-QFBILLFUSA-N 1 2 349.438 1.924 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000596688734 449607500 /nfs/dbraw/zinc/60/75/00/449607500.db2.gz UBFLSQRVHSFKKP-QFBILLFUSA-N 1 2 349.438 1.924 20 30 EDEDLO Cc1nc(SCC(=O)N[C@H]2Cc3c[nH+]cn3C2)c(C#N)c(C)c1C ZINC000598941922 449660590 /nfs/dbraw/zinc/66/05/90/449660590.db2.gz HVHLFYKRLAUGNO-ZDUSSCGKSA-N 1 2 341.440 1.908 20 30 EDEDLO COC(=O)[C@H](NCC[N@@H+]1C[C@H](C)OC[C@H]1C)c1cccc(C#N)c1 ZINC000594710361 449639004 /nfs/dbraw/zinc/63/90/04/449639004.db2.gz IAXYIKNXZWBDQA-JKIFEVAISA-N 1 2 331.416 1.471 20 30 EDEDLO COC(=O)[C@H](NCC[N@H+]1C[C@H](C)OC[C@H]1C)c1cccc(C#N)c1 ZINC000594710361 449639011 /nfs/dbraw/zinc/63/90/11/449639011.db2.gz IAXYIKNXZWBDQA-JKIFEVAISA-N 1 2 331.416 1.471 20 30 EDEDLO N#Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)nc(C2CC2)n1 ZINC000601106605 449693806 /nfs/dbraw/zinc/69/38/06/449693806.db2.gz RPSFFFLSROEMPC-QGZVFWFLSA-N 1 2 345.472 1.845 20 30 EDEDLO CCc1nc(C#N)cc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000599184570 449784565 /nfs/dbraw/zinc/78/45/65/449784565.db2.gz HVGWYPGVSNGLLN-MRXNPFEDSA-N 1 2 338.415 1.619 20 30 EDEDLO CCc1nc(C#N)cc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000599184570 449784568 /nfs/dbraw/zinc/78/45/68/449784568.db2.gz HVGWYPGVSNGLLN-MRXNPFEDSA-N 1 2 338.415 1.619 20 30 EDEDLO CCO[C@@H](C)c1noc(CN2CC[NH+](CC3(CC#N)CC3)CC2)n1 ZINC000602782143 449804843 /nfs/dbraw/zinc/80/48/43/449804843.db2.gz LPDIHQWRWMPSCV-AWEZNQCLSA-N 1 2 333.436 1.979 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000601304922 449814178 /nfs/dbraw/zinc/81/41/78/449814178.db2.gz XDRXUINUSQMQEA-OAHLLOKOSA-N 1 2 337.420 1.865 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000601304922 449814183 /nfs/dbraw/zinc/81/41/83/449814183.db2.gz XDRXUINUSQMQEA-OAHLLOKOSA-N 1 2 337.420 1.865 20 30 EDEDLO CC1(C)C[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C(C)(C)O1 ZINC000599229154 449816136 /nfs/dbraw/zinc/81/61/36/449816136.db2.gz BRZJYYKEWJGLIY-OAHLLOKOSA-N 1 2 337.464 1.655 20 30 EDEDLO CNS(=O)(=O)c1cccc([C@@H](C)[NH+]2CCN(CCC#N)CC2)c1 ZINC000601315225 449824590 /nfs/dbraw/zinc/82/45/90/449824590.db2.gz HQASUKNMGBQUNZ-CQSZACIVSA-N 1 2 336.461 1.187 20 30 EDEDLO CC(C)(C)OCCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000594902267 449801097 /nfs/dbraw/zinc/80/10/97/449801097.db2.gz UOVJVKBTPRLNRB-UHFFFAOYSA-N 1 2 333.432 1.757 20 30 EDEDLO CC[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2c(C)cc(F)cc2C#N)C1 ZINC000601347805 449859699 /nfs/dbraw/zinc/85/96/99/449859699.db2.gz MEWLIURIWUTIEQ-AWEZNQCLSA-N 1 2 341.408 1.005 20 30 EDEDLO CC[N@H+]1CCO[C@@H](CNS(=O)(=O)c2c(C)cc(F)cc2C#N)C1 ZINC000601347805 449859702 /nfs/dbraw/zinc/85/97/02/449859702.db2.gz MEWLIURIWUTIEQ-AWEZNQCLSA-N 1 2 341.408 1.005 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)NCc2cccc(C#N)c2)C[C@@H](C)N1CC#N ZINC000602855486 449862311 /nfs/dbraw/zinc/86/23/11/449862311.db2.gz HFAOJFBUMHIKQK-HUUCEWRRSA-N 1 2 325.416 1.093 20 30 EDEDLO COC(=O)c1cccc(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)c1C#N ZINC000602855818 449862341 /nfs/dbraw/zinc/86/23/41/449862341.db2.gz XEABGSQVWPMKNO-KBPBESRZSA-N 1 2 326.400 1.763 20 30 EDEDLO COc1ccccc1CCNC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857329 449866153 /nfs/dbraw/zinc/86/61/53/449866153.db2.gz QUOOQKUYXSRRLI-IYBDPMFKSA-N 1 2 344.459 1.272 20 30 EDEDLO COc1ccccc1CCNC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857329 449866155 /nfs/dbraw/zinc/86/61/55/449866155.db2.gz QUOOQKUYXSRRLI-IYBDPMFKSA-N 1 2 344.459 1.272 20 30 EDEDLO COc1cc(NC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc(OC)c1 ZINC000602858904 449868105 /nfs/dbraw/zinc/86/81/05/449868105.db2.gz CMORQLVIMAHXEP-ZIAGYGMSSA-N 1 2 346.431 1.560 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2C)C[C@H](C)N1CC#N ZINC000602865620 449875391 /nfs/dbraw/zinc/87/53/91/449875391.db2.gz UHAMYGCBPDNZSG-OKILXGFUSA-N 1 2 346.479 1.574 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cc(C(C)(C)C)nn2C)C[C@H](C)N1CC#N ZINC000602865620 449875396 /nfs/dbraw/zinc/87/53/96/449875396.db2.gz UHAMYGCBPDNZSG-OKILXGFUSA-N 1 2 346.479 1.574 20 30 EDEDLO CC[N@H+]1[C@H](C)CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000602872894 449881067 /nfs/dbraw/zinc/88/10/67/449881067.db2.gz CDVKCTJXFNIIHV-GASCZTMLSA-N 1 2 335.473 1.746 20 30 EDEDLO CC[N@@H+]1[C@H](C)CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000602872894 449881070 /nfs/dbraw/zinc/88/10/70/449881070.db2.gz CDVKCTJXFNIIHV-GASCZTMLSA-N 1 2 335.473 1.746 20 30 EDEDLO N#Cc1ccccc1OCC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000602875434 449883870 /nfs/dbraw/zinc/88/38/70/449883870.db2.gz OTWACDYFPCFZPM-UHFFFAOYSA-N 1 2 325.359 1.182 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000595125644 449886078 /nfs/dbraw/zinc/88/60/78/449886078.db2.gz JERQSMGPHGQMNR-KGLIPLIRSA-N 1 2 344.415 1.031 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000595125644 449886084 /nfs/dbraw/zinc/88/60/84/449886084.db2.gz JERQSMGPHGQMNR-KGLIPLIRSA-N 1 2 344.415 1.031 20 30 EDEDLO Cn1cc(C2=CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)cn1 ZINC000602886876 449893722 /nfs/dbraw/zinc/89/37/22/449893722.db2.gz JSKIFLADYZVKIW-UHFFFAOYSA-N 1 2 326.404 1.165 20 30 EDEDLO Cn1cc(C2=CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)cn1 ZINC000602886876 449893730 /nfs/dbraw/zinc/89/37/30/449893730.db2.gz JSKIFLADYZVKIW-UHFFFAOYSA-N 1 2 326.404 1.165 20 30 EDEDLO Cc1cc(NC(=O)C[NH+]2CCC(Nc3ccccc3C#N)CC2)no1 ZINC000602896125 449903447 /nfs/dbraw/zinc/90/34/47/449903447.db2.gz ICCOEMSCVDTLFP-UHFFFAOYSA-N 1 2 339.399 2.370 20 30 EDEDLO N#CCN1CCC[C@H](CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000602895817 449903624 /nfs/dbraw/zinc/90/36/24/449903624.db2.gz MCVDABRUCZSEKI-OLZOCXBDSA-N 1 2 343.353 1.728 20 30 EDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599467646 449997206 /nfs/dbraw/zinc/99/72/06/449997206.db2.gz IUPCFGRXJWFHKZ-FRRDWIJNSA-N 1 2 336.354 1.709 20 30 EDEDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599467646 449997209 /nfs/dbraw/zinc/99/72/09/449997209.db2.gz IUPCFGRXJWFHKZ-FRRDWIJNSA-N 1 2 336.354 1.709 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000601451174 449975586 /nfs/dbraw/zinc/97/55/86/449975586.db2.gz TVHQPRNKZZZSMI-OAHLLOKOSA-N 1 2 348.472 1.283 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000601451174 449975589 /nfs/dbraw/zinc/97/55/89/449975589.db2.gz TVHQPRNKZZZSMI-OAHLLOKOSA-N 1 2 348.472 1.283 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3ncccc3C#N)CC2)C[C@H](C)O1 ZINC000595289881 450005004 /nfs/dbraw/zinc/00/50/04/450005004.db2.gz WKAMZKVHBSPJBU-IYBDPMFKSA-N 1 2 329.448 1.184 20 30 EDEDLO CC(=O)c1nc(CC[NH+]2CCN(c3cc(C#N)ccn3)CC2)[nH]c1C ZINC000595291949 450006712 /nfs/dbraw/zinc/00/67/12/450006712.db2.gz YLVZHBFIVRDABG-UHFFFAOYSA-N 1 2 338.415 1.552 20 30 EDEDLO CC(=O)c1[nH]c(CC[NH+]2CCN(c3cc(C#N)ccn3)CC2)nc1C ZINC000595291949 450006716 /nfs/dbraw/zinc/00/67/16/450006716.db2.gz YLVZHBFIVRDABG-UHFFFAOYSA-N 1 2 338.415 1.552 20 30 EDEDLO C[C@H]1CN(CC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000595302965 450015437 /nfs/dbraw/zinc/01/54/37/450015437.db2.gz YLWMOSHNZXMJHS-HOTGVXAUSA-N 1 2 346.450 1.929 20 30 EDEDLO CO[C@H](C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H]1CCOC1 ZINC000595322758 450038703 /nfs/dbraw/zinc/03/87/03/450038703.db2.gz KGBQXXJXGRSQHB-GBESFXJTSA-N 1 2 329.444 1.748 20 30 EDEDLO CO[C@H](C[N@H+]1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H]1CCOC1 ZINC000595322758 450038705 /nfs/dbraw/zinc/03/87/05/450038705.db2.gz KGBQXXJXGRSQHB-GBESFXJTSA-N 1 2 329.444 1.748 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000609537942 450045392 /nfs/dbraw/zinc/04/53/92/450045392.db2.gz GLYOZPUUFYLJQZ-QGZVFWFLSA-N 1 2 340.427 1.448 20 30 EDEDLO COc1cccc(CNC(=O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000609538683 450046391 /nfs/dbraw/zinc/04/63/91/450046391.db2.gz NBZJXLMJQCHFCD-SFHVURJKSA-N 1 2 344.459 1.477 20 30 EDEDLO N#CCc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000601570380 450080899 /nfs/dbraw/zinc/08/08/99/450080899.db2.gz KULXTCVCFBNXIC-AWEZNQCLSA-N 1 2 339.399 1.778 20 30 EDEDLO N#CCc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000601570380 450080905 /nfs/dbraw/zinc/08/09/05/450080905.db2.gz KULXTCVCFBNXIC-AWEZNQCLSA-N 1 2 339.399 1.778 20 30 EDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000599591845 450090430 /nfs/dbraw/zinc/09/04/30/450090430.db2.gz SIIBFGLPSVNBSO-HZPDHXFCSA-N 1 2 330.384 1.793 20 30 EDEDLO COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000599591845 450090433 /nfs/dbraw/zinc/09/04/33/450090433.db2.gz SIIBFGLPSVNBSO-HZPDHXFCSA-N 1 2 330.384 1.793 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599671936 450143454 /nfs/dbraw/zinc/14/34/54/450143454.db2.gz USRLREVXVZLLAI-QGZVFWFLSA-N 1 2 328.412 1.959 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599671936 450143458 /nfs/dbraw/zinc/14/34/58/450143458.db2.gz USRLREVXVZLLAI-QGZVFWFLSA-N 1 2 328.412 1.959 20 30 EDEDLO CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000601735029 450199756 /nfs/dbraw/zinc/19/97/56/450199756.db2.gz MDLREEQGIUCIPW-GUYCJALGSA-N 1 2 339.436 1.037 20 30 EDEDLO CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000601735029 450199760 /nfs/dbraw/zinc/19/97/60/450199760.db2.gz MDLREEQGIUCIPW-GUYCJALGSA-N 1 2 339.436 1.037 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(c2cccc(-n3cccc3)c2C#N)CC1 ZINC000603307518 450232614 /nfs/dbraw/zinc/23/26/14/450232614.db2.gz IIKSGAOKOLWFIG-UHFFFAOYSA-N 1 2 337.427 1.735 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000615777157 450233611 /nfs/dbraw/zinc/23/36/11/450233611.db2.gz VZFDDMBANIEHRC-AWEZNQCLSA-N 1 2 334.464 1.660 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000615777157 450233614 /nfs/dbraw/zinc/23/36/14/450233614.db2.gz VZFDDMBANIEHRC-AWEZNQCLSA-N 1 2 334.464 1.660 20 30 EDEDLO CN(C[C@H]1C[N@H+](C)CCO1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000601732252 450195891 /nfs/dbraw/zinc/19/58/91/450195891.db2.gz BNZJJPRCGVYVOP-DLBZAZTESA-N 1 2 326.400 1.030 20 30 EDEDLO CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000601732252 450195895 /nfs/dbraw/zinc/19/58/95/450195895.db2.gz BNZJJPRCGVYVOP-DLBZAZTESA-N 1 2 326.400 1.030 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c(Br)c1 ZINC000618900680 450330748 /nfs/dbraw/zinc/33/07/48/450330748.db2.gz UJANXGBADKIHPF-GXTWGEPZSA-N 1 2 325.206 1.496 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c(Br)c1 ZINC000618900680 450330754 /nfs/dbraw/zinc/33/07/54/450330754.db2.gz UJANXGBADKIHPF-GXTWGEPZSA-N 1 2 325.206 1.496 20 30 EDEDLO CCCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647426 450297806 /nfs/dbraw/zinc/29/78/06/450297806.db2.gz NSPJSOBVIFHDQZ-RHSMWYFYSA-N 1 2 332.423 1.923 20 30 EDEDLO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000619718512 450318371 /nfs/dbraw/zinc/31/83/71/450318371.db2.gz PFYPSBXPCMHNCI-RYUDHWBXSA-N 1 2 336.354 1.837 20 30 EDEDLO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000619718512 450318373 /nfs/dbraw/zinc/31/83/73/450318373.db2.gz PFYPSBXPCMHNCI-RYUDHWBXSA-N 1 2 336.354 1.837 20 30 EDEDLO C=C[C@@H](C(=O)OC)N1CCC[N@@H+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC000619718820 450318442 /nfs/dbraw/zinc/31/84/42/450318442.db2.gz ZXGSWZQWJHSZRC-OLZOCXBDSA-N 1 2 338.408 1.012 20 30 EDEDLO C=C[C@@H](C(=O)OC)N1CCC[N@H+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC000619718820 450318445 /nfs/dbraw/zinc/31/84/45/450318445.db2.gz ZXGSWZQWJHSZRC-OLZOCXBDSA-N 1 2 338.408 1.012 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000619039709 450386935 /nfs/dbraw/zinc/38/69/35/450386935.db2.gz SPWPXADZQUUJFJ-RDTXWAMCSA-N 1 2 342.443 1.908 20 30 EDEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619943907 450380885 /nfs/dbraw/zinc/38/08/85/450380885.db2.gz IYPPTXZGXFPPFE-UXHICEINSA-N 1 2 346.471 1.968 20 30 EDEDLO C=C[C@](C)(CC)C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619943907 450380889 /nfs/dbraw/zinc/38/08/89/450380889.db2.gz IYPPTXZGXFPPFE-UXHICEINSA-N 1 2 346.471 1.968 20 30 EDEDLO NC(=O)C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000626077495 450569742 /nfs/dbraw/zinc/56/97/42/450569742.db2.gz LFTNZHZFQYKMOD-AWEZNQCLSA-N 1 2 342.317 1.513 20 30 EDEDLO NC(=O)C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCO1 ZINC000626077495 450569745 /nfs/dbraw/zinc/56/97/45/450569745.db2.gz LFTNZHZFQYKMOD-AWEZNQCLSA-N 1 2 342.317 1.513 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1=O ZINC000635891022 451336364 /nfs/dbraw/zinc/33/63/64/451336364.db2.gz DYVYTZZEIIFZHS-RYUDHWBXSA-N 1 2 344.337 1.622 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2ccc(CC)s2)nn1 ZINC000640984272 451722003 /nfs/dbraw/zinc/72/20/03/451722003.db2.gz JOWOYGWRSCKNRG-UHFFFAOYSA-N 1 2 331.445 1.331 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000637119871 451731041 /nfs/dbraw/zinc/73/10/41/451731041.db2.gz WYQZABCTLYHALT-RHSMWYFYSA-N 1 2 325.453 1.256 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000637119871 451731046 /nfs/dbraw/zinc/73/10/46/451731046.db2.gz WYQZABCTLYHALT-RHSMWYFYSA-N 1 2 325.453 1.256 20 30 EDEDLO C=CCNS(=O)(=O)c1ccccc1N[C@H](C)C[NH+]1CCOCC1 ZINC000641296480 451821770 /nfs/dbraw/zinc/82/17/70/451821770.db2.gz YPHPZDJNDMLJOK-CQSZACIVSA-N 1 2 339.461 1.284 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000649187219 451892806 /nfs/dbraw/zinc/89/28/06/451892806.db2.gz LVOOVALHPYQARH-NVXWUHKLSA-N 1 2 347.434 1.227 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000644844059 452024615 /nfs/dbraw/zinc/02/46/15/452024615.db2.gz IGQAYTJMQKZKLO-PMPSAXMXSA-N 1 2 346.431 1.144 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000645168705 452192158 /nfs/dbraw/zinc/19/21/58/452192158.db2.gz PCQHKCWJFFBPSQ-ROUUACIJSA-N 1 2 345.443 1.133 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCc2nc(COC)ncc2C1 ZINC000639911462 452232576 /nfs/dbraw/zinc/23/25/76/452232576.db2.gz YUWDCKUWDBIGBV-AWEZNQCLSA-N 1 2 332.448 1.794 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCc2nc(COC)ncc2C1 ZINC000639911462 452232580 /nfs/dbraw/zinc/23/25/80/452232580.db2.gz YUWDCKUWDBIGBV-AWEZNQCLSA-N 1 2 332.448 1.794 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000656302974 453039169 /nfs/dbraw/zinc/03/91/69/453039169.db2.gz XNJRITANROCBFN-UHFFFAOYSA-N 1 2 329.444 1.981 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000658502326 453047800 /nfs/dbraw/zinc/04/78/00/453047800.db2.gz UAYUOUPDUTZHRX-CABCVRRESA-N 1 2 330.432 1.930 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000658502329 453048017 /nfs/dbraw/zinc/04/80/17/453048017.db2.gz UAYUOUPDUTZHRX-LSDHHAIUSA-N 1 2 330.432 1.930 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000658624310 453201125 /nfs/dbraw/zinc/20/11/25/453201125.db2.gz YZRHBQNMOHROLT-NVXWUHKLSA-N 1 2 343.427 1.876 20 30 EDEDLO C=CCOCCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000658703442 453292578 /nfs/dbraw/zinc/29/25/78/453292578.db2.gz QLDRVLGZTMAEEY-GJZGRUSLSA-N 1 2 334.420 1.002 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000667112795 453411236 /nfs/dbraw/zinc/41/12/36/453411236.db2.gz QUNYCTONBMQDSL-SFHVURJKSA-N 1 2 345.443 1.928 20 30 EDEDLO C=CCOCCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000663438982 453798712 /nfs/dbraw/zinc/79/87/12/453798712.db2.gz XSFYWJQZHKUCEP-SFHVURJKSA-N 1 2 347.459 1.779 20 30 EDEDLO C=CCOCCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000663438982 453798715 /nfs/dbraw/zinc/79/87/15/453798715.db2.gz XSFYWJQZHKUCEP-SFHVURJKSA-N 1 2 347.459 1.779 20 30 EDEDLO C=CCOCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000679504098 487433064 /nfs/dbraw/zinc/43/30/64/487433064.db2.gz PGKRBOWRTIVVKL-GOSISDBHSA-N 1 2 347.459 1.870 20 30 EDEDLO C#CCCN1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000127353033 526727942 /nfs/dbraw/zinc/72/79/42/526727942.db2.gz ZYBSYHMDCWGHPW-UHFFFAOYSA-N 1 2 325.412 1.314 20 30 EDEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106581744 526905866 /nfs/dbraw/zinc/90/58/66/526905866.db2.gz CWUMKMJWOJDXMH-MRXNPFEDSA-N 1 2 346.450 1.606 20 30 EDEDLO C=CCc1cc(C[NH+]2CCN(C(=O)COC)CC2)cc(OC)c1O ZINC000128681868 527237675 /nfs/dbraw/zinc/23/76/75/527237675.db2.gz QZVZLNDNAVBYHQ-UHFFFAOYSA-N 1 2 334.416 1.420 20 30 EDEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000352571429 536100631 /nfs/dbraw/zinc/10/06/31/536100631.db2.gz UWFXWCVNJPVCBD-AWEZNQCLSA-N 1 2 325.409 1.553 20 30 EDEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000352571429 536100633 /nfs/dbraw/zinc/10/06/33/536100633.db2.gz UWFXWCVNJPVCBD-AWEZNQCLSA-N 1 2 325.409 1.553 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000264249132 536655344 /nfs/dbraw/zinc/65/53/44/536655344.db2.gz OTGXFMFVVJUCAD-CHWSQXEVSA-N 1 2 332.404 1.798 20 30 EDEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCN2CCO[C@H]1C2 ZINC000295524758 578566479 /nfs/dbraw/zinc/56/64/79/578566479.db2.gz UXGAHTZCMDSRTF-HOTGVXAUSA-N 1 2 348.834 1.555 20 30 EDEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCN2CCO[C@H]1C2 ZINC000295524758 578566480 /nfs/dbraw/zinc/56/64/80/578566480.db2.gz UXGAHTZCMDSRTF-HOTGVXAUSA-N 1 2 348.834 1.555 20 30 EDEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000729926019 578601843 /nfs/dbraw/zinc/60/18/43/578601843.db2.gz JWXVQFAFIYVIDU-CYBMUJFWSA-N 1 2 342.399 1.389 20 30 EDEDLO C#CCOc1cccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000731128099 578668510 /nfs/dbraw/zinc/66/85/10/578668510.db2.gz UBHFUCDPOBNKCP-UHFFFAOYSA-N 1 2 340.383 1.430 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)NCCC)cc1 ZINC000733129759 578742919 /nfs/dbraw/zinc/74/29/19/578742919.db2.gz OYFFUQIIVLKMHV-INIZCTEOSA-N 1 2 349.456 1.411 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)NCCC)cc1 ZINC000733129759 578742920 /nfs/dbraw/zinc/74/29/20/578742920.db2.gz OYFFUQIIVLKMHV-INIZCTEOSA-N 1 2 349.456 1.411 20 30 EDEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C(=O)N[C@](C)(COC)C1=O ZINC000733293930 578757646 /nfs/dbraw/zinc/75/76/46/578757646.db2.gz PLPHUPULLIKXSH-GOSISDBHSA-N 1 2 347.415 1.598 20 30 EDEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C(=O)N[C@](C)(COC)C1=O ZINC000733293930 578757648 /nfs/dbraw/zinc/75/76/48/578757648.db2.gz PLPHUPULLIKXSH-GOSISDBHSA-N 1 2 347.415 1.598 20 30 EDEDLO C#CCCNC(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000733351005 578760832 /nfs/dbraw/zinc/76/08/32/578760832.db2.gz KDLORXSDFSQTOS-UHFFFAOYSA-N 1 2 334.464 1.033 20 30 EDEDLO Cc1ccc2[nH]cc(C=NNC(=S)NCC[NH+]3CCOCC3)c2c1 ZINC000735609563 578904577 /nfs/dbraw/zinc/90/45/77/578904577.db2.gz BAXFDALREKJYIP-UHFFFAOYSA-N 1 2 345.472 1.607 20 30 EDEDLO C[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@@H]1CCCCNC1=O ZINC000744393639 579509175 /nfs/dbraw/zinc/50/91/75/579509175.db2.gz OFJNQBYKVHOXGR-OAHLLOKOSA-N 1 2 339.399 1.021 20 30 EDEDLO C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@@H]1CCCCNC1=O ZINC000744393639 579509177 /nfs/dbraw/zinc/50/91/77/579509177.db2.gz OFJNQBYKVHOXGR-OAHLLOKOSA-N 1 2 339.399 1.021 20 30 EDEDLO COc1ccc(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1C#N ZINC000746701003 579607038 /nfs/dbraw/zinc/60/70/38/579607038.db2.gz CEUVOMOCRXABCO-UHFFFAOYSA-N 1 2 346.431 1.477 20 30 EDEDLO N#CCC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccco1 ZINC000747960704 579664567 /nfs/dbraw/zinc/66/45/67/579664567.db2.gz HVMYPJFTAFBVQG-UHFFFAOYSA-N 1 2 333.413 1.885 20 30 EDEDLO N#CCC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccco1 ZINC000747960704 579664568 /nfs/dbraw/zinc/66/45/68/579664568.db2.gz HVMYPJFTAFBVQG-UHFFFAOYSA-N 1 2 333.413 1.885 20 30 EDEDLO CCOc1cccc(C=[NH+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O ZINC000751890260 579826508 /nfs/dbraw/zinc/82/65/08/579826508.db2.gz LMIBCGILSADFKK-GATKTMFZSA-N 1 2 345.399 1.930 20 30 EDEDLO CC[N@H+](CC#CCOC)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000762918823 580087908 /nfs/dbraw/zinc/08/79/08/580087908.db2.gz OYUJNCCLQLNPHW-UHFFFAOYSA-N 1 2 345.443 1.433 20 30 EDEDLO CC[N@@H+](CC#CCOC)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000762918823 580087909 /nfs/dbraw/zinc/08/79/09/580087909.db2.gz OYUJNCCLQLNPHW-UHFFFAOYSA-N 1 2 345.443 1.433 20 30 EDEDLO CCOC(=O)c1ccc(S(=O)(=O)NN=C2C[N@H+](C)C[C@@H]2C)cc1 ZINC000767791874 580199755 /nfs/dbraw/zinc/19/97/55/580199755.db2.gz YGIGYMHALRXNKP-NSHDSACASA-N 1 2 339.417 1.079 20 30 EDEDLO CCOC(=O)c1ccc(S(=O)(=O)NN=C2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000767791874 580199756 /nfs/dbraw/zinc/19/97/56/580199756.db2.gz YGIGYMHALRXNKP-NSHDSACASA-N 1 2 339.417 1.079 20 30 EDEDLO C#C[C@H]([NH2+][C@H](C)C(=O)N1CC(=O)Nc2ccccc21)[C@@H]1CCCO1 ZINC000775791874 580400665 /nfs/dbraw/zinc/40/06/65/580400665.db2.gz XKKRLJWKKXIDIH-WWGRRREGSA-N 1 2 327.384 1.131 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCCO1 ZINC000776226885 580411991 /nfs/dbraw/zinc/41/19/91/580411991.db2.gz HPUBQRXDGXWUPJ-IRXDYDNUSA-N 1 2 328.416 1.090 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776593924 580423257 /nfs/dbraw/zinc/42/32/57/580423257.db2.gz QNDGKCCBMSZXCW-DLBZAZTESA-N 1 2 332.404 1.794 20 30 EDEDLO O=S1(=O)CCC(NN=C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000779787150 580497232 /nfs/dbraw/zinc/49/72/32/580497232.db2.gz SJTIFOAGQSLOJZ-UHFFFAOYSA-N 1 2 341.399 1.557 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)S1 ZINC000780952060 580538565 /nfs/dbraw/zinc/53/85/65/580538565.db2.gz VZTGYRDTTWLMAG-IUODEOHRSA-N 1 2 344.440 1.227 20 30 EDEDLO CC(C)OCC[NH+]1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780955303 580538718 /nfs/dbraw/zinc/53/87/18/580538718.db2.gz MLGQLWMQRWIQLZ-QGZVFWFLSA-N 1 2 331.416 1.161 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC3(CNC(=O)O3)CC2)c(C#N)c1C ZINC000781992762 580562761 /nfs/dbraw/zinc/56/27/61/580562761.db2.gz LJILXCNAOORWBL-NSHDSACASA-N 1 2 346.387 1.670 20 30 EDEDLO CC(C)OC[C@H](O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782948628 580588909 /nfs/dbraw/zinc/58/89/09/580588909.db2.gz MXERWPDPEZFRPE-LBPRGKRZSA-N 1 2 331.210 1.872 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000783533319 580600930 /nfs/dbraw/zinc/60/09/30/580600930.db2.gz YBFDMUPRGDQINI-ZDUSSCGKSA-N 1 2 334.445 1.827 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCN(c3ncccc3F)CC2)CCC1 ZINC000784401216 580620328 /nfs/dbraw/zinc/62/03/28/580620328.db2.gz VOFZTWCYXCJACV-UHFFFAOYSA-N 1 2 331.395 1.295 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(c3ncccc3F)CC2)CCC1 ZINC000784401216 580620329 /nfs/dbraw/zinc/62/03/29/580620329.db2.gz VOFZTWCYXCJACV-UHFFFAOYSA-N 1 2 331.395 1.295 20 30 EDEDLO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000784449837 580621235 /nfs/dbraw/zinc/62/12/35/580621235.db2.gz HOJVTXVSZBNCRL-MBSJSRAVSA-N 1 2 337.445 1.592 20 30 EDEDLO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000784449837 580621236 /nfs/dbraw/zinc/62/12/36/580621236.db2.gz HOJVTXVSZBNCRL-MBSJSRAVSA-N 1 2 337.445 1.592 20 30 EDEDLO C[C@H](O)C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@@H](C)CO ZINC000785536368 580646884 /nfs/dbraw/zinc/64/68/84/580646884.db2.gz FCOUIHWOVLOKOF-AVGNSLFASA-N 1 2 347.440 1.536 20 30 EDEDLO C[C@H](O)C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@@H](C)CO ZINC000785536368 580646885 /nfs/dbraw/zinc/64/68/85/580646885.db2.gz FCOUIHWOVLOKOF-AVGNSLFASA-N 1 2 347.440 1.536 20 30 EDEDLO Cc1cccc(CNC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000786544626 580673242 /nfs/dbraw/zinc/67/32/42/580673242.db2.gz XPMKGHUDFYJSCB-JKSUJKDBSA-N 1 2 345.468 1.757 20 30 EDEDLO Cc1cccc(CNC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000786544626 580673243 /nfs/dbraw/zinc/67/32/43/580673243.db2.gz XPMKGHUDFYJSCB-JKSUJKDBSA-N 1 2 345.468 1.757 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000787583521 580698549 /nfs/dbraw/zinc/69/85/49/580698549.db2.gz AUTMULNBVSENPG-UHFFFAOYSA-N 1 2 347.396 1.485 20 30 EDEDLO N#Cc1ccnc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000788319651 580717239 /nfs/dbraw/zinc/71/72/39/580717239.db2.gz VEPLNOWFEKCMDX-ZDUSSCGKSA-N 1 2 328.332 1.535 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789886268 580756154 /nfs/dbraw/zinc/75/61/54/580756154.db2.gz HWWIOPPXTVUJMD-ROUUACIJSA-N 1 2 339.439 1.344 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789886268 580756155 /nfs/dbraw/zinc/75/61/55/580756155.db2.gz HWWIOPPXTVUJMD-ROUUACIJSA-N 1 2 339.439 1.344 20 30 EDEDLO C[C@@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C[C@@]2(CCOC2)O1 ZINC000794704580 580903620 /nfs/dbraw/zinc/90/36/20/580903620.db2.gz NASNUCNTZIGXAL-FZKQIMNGSA-N 1 2 329.400 1.046 20 30 EDEDLO C[C@@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)C[C@@]2(CCOC2)O1 ZINC000794704580 580903621 /nfs/dbraw/zinc/90/36/21/580903621.db2.gz NASNUCNTZIGXAL-FZKQIMNGSA-N 1 2 329.400 1.046 20 30 EDEDLO C[C@]1(C(N)=O)CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000796581453 580957270 /nfs/dbraw/zinc/95/72/70/580957270.db2.gz QGYFABQATWAHPL-GTNSWQLSSA-N 1 2 342.424 1.670 20 30 EDEDLO C[C@]1(C(N)=O)CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 ZINC000796581453 580957271 /nfs/dbraw/zinc/95/72/71/580957271.db2.gz QGYFABQATWAHPL-GTNSWQLSSA-N 1 2 342.424 1.670 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000798354503 580995141 /nfs/dbraw/zinc/99/51/41/580995141.db2.gz MSQSOTDJIYYDCU-CVEARBPZSA-N 1 2 344.390 1.722 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c(N(C)C)[nH+]1 ZINC000799837573 581037950 /nfs/dbraw/zinc/03/79/50/581037950.db2.gz VMFDQCZVUXJIQX-UHFFFAOYSA-N 1 2 343.431 1.841 20 30 EDEDLO C[C@]1(C#N)CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCO1 ZINC000891825319 590638441 /nfs/dbraw/zinc/63/84/41/590638441.db2.gz IJJZVNOBSDAELC-KRWDZBQOSA-N 1 2 329.404 1.506 20 30 EDEDLO C#CCSCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000893175372 590697076 /nfs/dbraw/zinc/69/70/76/590697076.db2.gz CZIKFQDWFKSLAB-QGZVFWFLSA-N 1 2 332.469 1.678 20 30 EDEDLO C#CCSCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000893175372 590697079 /nfs/dbraw/zinc/69/70/79/590697079.db2.gz CZIKFQDWFKSLAB-QGZVFWFLSA-N 1 2 332.469 1.678 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)[C@H](C)Cc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893571585 590972976 /nfs/dbraw/zinc/97/29/76/590972976.db2.gz BVODJSSUHDYNEQ-AZOIQLNYSA-N 1 2 344.411 1.916 20 30 EDEDLO COC(=O)[C@]1(C)C[C@H](OC(=O)[C@H](C)Cc2ccc(C#N)cc2)C[N@H+]1C ZINC000893571585 590972980 /nfs/dbraw/zinc/97/29/80/590972980.db2.gz BVODJSSUHDYNEQ-AZOIQLNYSA-N 1 2 344.411 1.916 20 30 EDEDLO N#Cc1ccc([C@@H]2CN(C(=O)NCCn3cc[nH+]c3)CCO2)cc1 ZINC000891556756 591123390 /nfs/dbraw/zinc/12/33/90/591123390.db2.gz ZRXYBIZJDGRYRD-INIZCTEOSA-N 1 2 325.372 1.538 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2[C@@H](C(=O)OC)C2(F)F)c1 ZINC000893966066 591149798 /nfs/dbraw/zinc/14/97/98/591149798.db2.gz FVZNJKFMQLBZDH-ZFWWWQNUSA-N 1 2 336.338 1.593 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2[C@@H](C(=O)OC)C2(F)F)c1 ZINC000893966066 591149802 /nfs/dbraw/zinc/14/98/02/591149802.db2.gz FVZNJKFMQLBZDH-ZFWWWQNUSA-N 1 2 336.338 1.593 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)cc1 ZINC000895630292 591236212 /nfs/dbraw/zinc/23/62/12/591236212.db2.gz KOXAASSYQBQCGO-UHFFFAOYSA-N 1 2 341.455 1.684 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)cc1 ZINC000895630292 591236213 /nfs/dbraw/zinc/23/62/13/591236213.db2.gz KOXAASSYQBQCGO-UHFFFAOYSA-N 1 2 341.455 1.684 20 30 EDEDLO C#CC[NH+]1CCC(Nc2ncnc3ccc(S(C)(=O)=O)cc32)CC1 ZINC000895808576 591274170 /nfs/dbraw/zinc/27/41/70/591274170.db2.gz PPFFHVOQSHTCPO-UHFFFAOYSA-N 1 2 344.440 1.543 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1c(C)[nH+]c2ccccn21)C1CCOCC1 ZINC000895854007 591288271 /nfs/dbraw/zinc/28/82/71/591288271.db2.gz SRHWBQBMQBABCP-OAHLLOKOSA-N 1 2 326.400 1.870 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])c(N2CCN(c3cc[nH+]nc3)CC2)cc1F ZINC000895960204 591310881 /nfs/dbraw/zinc/31/08/81/591310881.db2.gz PLCVUUYOMBIXSN-UHFFFAOYSA-N 1 2 328.307 1.722 20 30 EDEDLO N#Cc1cc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)cs1 ZINC000894885042 591457732 /nfs/dbraw/zinc/45/77/32/591457732.db2.gz BSXAHDJUSWCJDZ-UHFFFAOYSA-N 1 2 325.459 1.620 20 30 EDEDLO N#Cc1ccc([C@@H]2CN(C(=O)N[C@H]3CCn4cc[nH+]c43)CCO2)cc1 ZINC000895078206 591570624 /nfs/dbraw/zinc/57/06/24/591570624.db2.gz SSBIQNRFKKFDIM-HOTGVXAUSA-N 1 2 337.383 1.983 20 30 EDEDLO N#CC1(c2ccc(C(=O)NCC[N@@H+]3CCC4(C3)OCCO4)cc2)CC1 ZINC000899060699 591665839 /nfs/dbraw/zinc/66/58/39/591665839.db2.gz YNGYVICGAGPNEF-UHFFFAOYSA-N 1 2 341.411 1.420 20 30 EDEDLO N#CC1(c2ccc(C(=O)NCC[N@H+]3CCC4(C3)OCCO4)cc2)CC1 ZINC000899060699 591665841 /nfs/dbraw/zinc/66/58/41/591665841.db2.gz YNGYVICGAGPNEF-UHFFFAOYSA-N 1 2 341.411 1.420 20 30 EDEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3nc(C#N)cs3)[nH+]cn2)C1 ZINC000896930577 591687561 /nfs/dbraw/zinc/68/75/61/591687561.db2.gz QTYIADVXORBUEI-GHMZBOCLSA-N 1 2 330.417 1.624 20 30 EDEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3nc(C#N)cs3)nc[nH+]2)C1 ZINC000896930577 591687564 /nfs/dbraw/zinc/68/75/64/591687564.db2.gz QTYIADVXORBUEI-GHMZBOCLSA-N 1 2 330.417 1.624 20 30 EDEDLO CCOc1ccc(O)c(/C=[NH+]\CCCCn2cc(C(N)=O)nn2)c1 ZINC000840714202 591755745 /nfs/dbraw/zinc/75/57/45/591755745.db2.gz YDLTZDITTLWJOS-ZDLGFXPLSA-N 1 2 331.376 1.381 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nc1 ZINC000728807135 591830875 /nfs/dbraw/zinc/83/08/75/591830875.db2.gz KUVXSCPSEWISGX-IBGZPJMESA-N 1 2 335.407 1.866 20 30 EDEDLO CNc1[nH+]c(C)ccc1C(=O)N(CCC#N)CCN1CCOCC1 ZINC000900456351 592022961 /nfs/dbraw/zinc/02/29/61/592022961.db2.gz LRCNEPJXJSGAMR-UHFFFAOYSA-N 1 2 331.420 1.120 20 30 EDEDLO C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1cccc(C#N)c1O ZINC000903369927 592161687 /nfs/dbraw/zinc/16/16/87/592161687.db2.gz AAESOBBSBBTCMW-ZDUSSCGKSA-N 1 2 332.400 1.963 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000907141624 592528522 /nfs/dbraw/zinc/52/85/22/592528522.db2.gz IYJNXWJLLUGXCD-HNNXBMFYSA-N 1 2 330.413 1.068 20 30 EDEDLO C=CCn1c([C@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1CC[C@H](OCC)C1 ZINC000908695803 592575105 /nfs/dbraw/zinc/57/51/05/592575105.db2.gz UPNJIYZBOFIIGK-QLFBSQMISA-N 1 2 335.452 1.471 20 30 EDEDLO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1CC[C@H](OCC)C1 ZINC000908695803 592575108 /nfs/dbraw/zinc/57/51/08/592575108.db2.gz UPNJIYZBOFIIGK-QLFBSQMISA-N 1 2 335.452 1.471 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)OCCn2cc[nH+]c2)c1 ZINC000909893526 592714741 /nfs/dbraw/zinc/71/47/41/592714741.db2.gz SVGVNXCXMMAXDD-UHFFFAOYSA-N 1 2 332.381 1.537 20 30 EDEDLO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)C[C@@H](C)N1CC#N ZINC000911711933 592985840 /nfs/dbraw/zinc/98/58/40/592985840.db2.gz PLKANQVZYVGYCS-MGPQQGTHSA-N 1 2 328.407 1.408 20 30 EDEDLO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)C[C@@H](C)N1CC#N ZINC000911711933 592985843 /nfs/dbraw/zinc/98/58/43/592985843.db2.gz PLKANQVZYVGYCS-MGPQQGTHSA-N 1 2 328.407 1.408 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838474784 593177106 /nfs/dbraw/zinc/17/71/06/593177106.db2.gz TWHJCENOSXUESR-CALCHBBNSA-N 1 2 343.427 1.361 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838474784 593177108 /nfs/dbraw/zinc/17/71/08/593177108.db2.gz TWHJCENOSXUESR-CALCHBBNSA-N 1 2 343.427 1.361 20 30 EDEDLO Cc1ccc(C)c(N[NH+]=Cc2c(=O)n(C)c(=O)n(C)c2N(C)C)c1 ZINC000807955504 593212401 /nfs/dbraw/zinc/21/24/01/593212401.db2.gz YMZXQGMZTSCUPB-UHFFFAOYSA-N 1 2 329.404 1.213 20 30 EDEDLO C[C@]1(CCc2ccccc2)NC(=O)N(N=Cc2ccc(N)[nH+]c2)C1=O ZINC000807960016 593212427 /nfs/dbraw/zinc/21/24/27/593212427.db2.gz JQPFGBHCPFAQGT-GOSISDBHSA-N 1 2 337.383 1.941 20 30 EDEDLO C[C@H](C#N)OCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000802730720 593273625 /nfs/dbraw/zinc/27/36/25/593273625.db2.gz YTYYRBAMQLLSTD-CQSZACIVSA-N 1 2 332.404 1.084 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000803348435 593321767 /nfs/dbraw/zinc/32/17/67/593321767.db2.gz KZAAUGJQYWEQMQ-UHFFFAOYSA-N 1 2 326.400 1.913 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2c(C)cc(OC)c(C)c2C)CC1 ZINC000809192141 593323323 /nfs/dbraw/zinc/32/33/23/593323323.db2.gz KPZAAMUQHLKAEH-UHFFFAOYSA-N 1 2 329.444 1.810 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nc(N)nc(Nc2ccc(F)cc2)n1)[C@@H]1CCCO1 ZINC000839563352 593345375 /nfs/dbraw/zinc/34/53/75/593345375.db2.gz HWCHSLOSHSFLDB-KBPBESRZSA-N 1 2 342.378 1.607 20 30 EDEDLO COc1ccc(CCC(=O)N2CC[NH+](C[C@H](O)CC#N)CC2)cc1 ZINC000809573443 593346897 /nfs/dbraw/zinc/34/68/97/593346897.db2.gz LPZSOLVYLCHJMS-MRXNPFEDSA-N 1 2 331.416 1.047 20 30 EDEDLO C#CCC(CC#C)C(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000803697467 593356739 /nfs/dbraw/zinc/35/67/39/593356739.db2.gz GAWDDKYUAKVPIZ-UHFFFAOYSA-N 1 2 342.395 1.130 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC4(C3)OCCO4)o2)c1 ZINC000761694977 593420691 /nfs/dbraw/zinc/42/06/91/593420691.db2.gz ZNZAIJVZASHBBP-UHFFFAOYSA-N 1 2 326.356 1.947 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC4(C3)OCCO4)o2)c1 ZINC000761694977 593420693 /nfs/dbraw/zinc/42/06/93/593420693.db2.gz ZNZAIJVZASHBBP-UHFFFAOYSA-N 1 2 326.356 1.947 20 30 EDEDLO CC1(C)C(=O)N(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1C1CC1 ZINC000811734345 593477476 /nfs/dbraw/zinc/47/74/76/593477476.db2.gz CPVMVGDFBVLUOL-QGZVFWFLSA-N 1 2 339.443 1.680 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCC#N)CC(C)C ZINC000813426083 593532412 /nfs/dbraw/zinc/53/24/12/593532412.db2.gz YGZNMNZTVLHZEV-INIZCTEOSA-N 1 2 347.463 1.881 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CCC#N)CC(C)C ZINC000813426083 593532413 /nfs/dbraw/zinc/53/24/13/593532413.db2.gz YGZNMNZTVLHZEV-INIZCTEOSA-N 1 2 347.463 1.881 20 30 EDEDLO C=CCC(C)(C)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000814366513 593583463 /nfs/dbraw/zinc/58/34/63/593583463.db2.gz PCVLPPFZQHAWNL-UHFFFAOYSA-N 1 2 345.509 1.397 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000815477471 593637917 /nfs/dbraw/zinc/63/79/17/593637917.db2.gz KFSOMDILQGMWEV-SNVBAGLBSA-N 1 2 343.305 1.850 20 30 EDEDLO C[N@@H+]1CCN(C(=O)c2ccc(C#N)o2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000815775383 593652124 /nfs/dbraw/zinc/65/21/24/593652124.db2.gz FILUFGDAOZLZRW-GFCCVEGCSA-N 1 2 348.403 1.432 20 30 EDEDLO C[N@H+]1CCN(C(=O)c2ccc(C#N)o2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000815775383 593652125 /nfs/dbraw/zinc/65/21/25/593652125.db2.gz FILUFGDAOZLZRW-GFCCVEGCSA-N 1 2 348.403 1.432 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 ZINC000819278802 593748236 /nfs/dbraw/zinc/74/82/36/593748236.db2.gz IIGSVJCOVRYCJT-OAHLLOKOSA-N 1 2 348.447 1.351 20 30 EDEDLO N#CCOc1cc(F)ccc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000821860660 593955222 /nfs/dbraw/zinc/95/52/22/593955222.db2.gz AVJQPLNBCPNWND-AWEZNQCLSA-N 1 2 348.378 1.666 20 30 EDEDLO C=CCN(CC(=O)OCC)C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000821329586 594018778 /nfs/dbraw/zinc/01/87/78/594018778.db2.gz IOVODSLVWYIIDS-KRWDZBQOSA-N 1 2 346.427 1.847 20 30 EDEDLO C=CCN(CC(=O)OCC)C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000821329586 594018781 /nfs/dbraw/zinc/01/87/81/594018781.db2.gz IOVODSLVWYIIDS-KRWDZBQOSA-N 1 2 346.427 1.847 20 30 EDEDLO Cc1nsc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1C#N ZINC000823311485 594184048 /nfs/dbraw/zinc/18/40/48/594184048.db2.gz NEOFRPLVDCYVGO-UHFFFAOYSA-N 1 2 349.460 1.899 20 30 EDEDLO N#CCc1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1 ZINC000823441679 594202550 /nfs/dbraw/zinc/20/25/50/594202550.db2.gz GVTMMZYQNAAWHE-MSOLQXFVSA-N 1 2 343.427 1.249 20 30 EDEDLO C#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1 ZINC000829769277 594259686 /nfs/dbraw/zinc/25/96/86/594259686.db2.gz RPOPAYDDXIECTB-CQSZACIVSA-N 1 2 334.441 1.764 20 30 EDEDLO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1 ZINC000829769277 594259688 /nfs/dbraw/zinc/25/96/88/594259688.db2.gz RPOPAYDDXIECTB-CQSZACIVSA-N 1 2 334.441 1.764 20 30 EDEDLO C#CC1CC[NH+]([C@@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000830316508 594374396 /nfs/dbraw/zinc/37/43/96/594374396.db2.gz VNCBMVZSTFHMQH-GOEBONIOSA-N 1 2 340.489 1.146 20 30 EDEDLO COc1cc(C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)ccc1C#N ZINC000826656231 594547704 /nfs/dbraw/zinc/54/77/04/594547704.db2.gz JMEDPRRJNVSUKH-UHFFFAOYSA-N 1 2 339.399 1.258 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@@H](NC(=O)C1([NH+]3CCOCC3)CCC1)C2 ZINC000829497272 594625903 /nfs/dbraw/zinc/62/59/03/594625903.db2.gz FVSKCNUCIQYQJU-KRWDZBQOSA-N 1 2 325.412 1.397 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831455450 594633637 /nfs/dbraw/zinc/63/36/37/594633637.db2.gz UXNDDQHLWSSSCA-CQSZACIVSA-N 1 2 333.411 1.351 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831472604 594637401 /nfs/dbraw/zinc/63/74/01/594637401.db2.gz FZGDHIQTUAPTBO-OAHLLOKOSA-N 1 2 332.423 1.932 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000831694692 594693481 /nfs/dbraw/zinc/69/34/81/594693481.db2.gz HEDAPFVIYSSXKU-INIZCTEOSA-N 1 2 341.411 1.785 20 30 EDEDLO CO[C@@H]1C[N@H+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C[C@H]1O ZINC000832006869 594718693 /nfs/dbraw/zinc/71/86/93/594718693.db2.gz DZIVKYDWJUNLMV-LBMABLTESA-N 1 2 330.428 1.559 20 30 EDEDLO CO[C@@H]1C[N@@H+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C[C@H]1O ZINC000832006869 594718694 /nfs/dbraw/zinc/71/86/94/594718694.db2.gz DZIVKYDWJUNLMV-LBMABLTESA-N 1 2 330.428 1.559 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840910596 594826937 /nfs/dbraw/zinc/82/69/37/594826937.db2.gz SNXSBUJBYAVUSP-UHFFFAOYSA-N 1 2 337.851 1.774 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000104082672 594835251 /nfs/dbraw/zinc/83/52/51/594835251.db2.gz NEQXAHWNTZSDAC-UHFFFAOYSA-N 1 2 343.427 1.999 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC3(C2)OCCO3)c1 ZINC000104082672 594835252 /nfs/dbraw/zinc/83/52/52/594835252.db2.gz NEQXAHWNTZSDAC-UHFFFAOYSA-N 1 2 343.427 1.999 20 30 EDEDLO CC(C)[C@H](O[NH+]=C(N)c1ccc(Cl)cc1)C(=O)N1CCOCC1 ZINC000842019750 595003588 /nfs/dbraw/zinc/00/35/88/595003588.db2.gz WKUQUHLOBWBTKM-AWEZNQCLSA-N 1 2 339.823 1.860 20 30 EDEDLO C#CC[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C(=O)OC ZINC000845982973 595113187 /nfs/dbraw/zinc/11/31/87/595113187.db2.gz UTZVASWTBHEZKV-LWGFOQHQSA-N 1 2 326.396 1.974 20 30 EDEDLO COc1cc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1C#N ZINC000834708972 595195275 /nfs/dbraw/zinc/19/52/75/595195275.db2.gz HJHIPTLYWXPEPS-UHFFFAOYSA-N 1 2 331.416 1.750 20 30 EDEDLO COc1cc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1C#N ZINC000834708972 595195277 /nfs/dbraw/zinc/19/52/77/595195277.db2.gz HJHIPTLYWXPEPS-UHFFFAOYSA-N 1 2 331.416 1.750 20 30 EDEDLO Cc1cc(C[NH+]2CCN(C(=O)C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC000844340914 595328556 /nfs/dbraw/zinc/32/85/56/595328556.db2.gz JIZCMJXDJWITFH-UHFFFAOYSA-N 1 2 343.427 1.853 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000846987017 595347057 /nfs/dbraw/zinc/34/70/57/595347057.db2.gz LTUAZQYHAIFNEI-JTQLQIEISA-N 1 2 345.371 1.903 20 30 EDEDLO C=CCn1c(C)nn(C[N@H+]2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)c1=S ZINC000844761828 595391821 /nfs/dbraw/zinc/39/18/21/595391821.db2.gz PWJQKYAMUVWGMC-UONOGXRCSA-N 1 2 336.461 1.997 20 30 EDEDLO C=CCn1c(C)nn(C[N@@H+]2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)c1=S ZINC000844761828 595391824 /nfs/dbraw/zinc/39/18/24/595391824.db2.gz PWJQKYAMUVWGMC-UONOGXRCSA-N 1 2 336.461 1.997 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782920 595446816 /nfs/dbraw/zinc/44/68/16/595446816.db2.gz YCAXQWKBDHGUJO-GFCCVEGCSA-N 1 2 328.372 1.808 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000845239480 595467182 /nfs/dbraw/zinc/46/71/82/595467182.db2.gz CGLMTRBAHVXCEK-UHFFFAOYSA-N 1 2 336.395 1.498 20 30 EDEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCN(c2nncn2C)CC1 ZINC000848925148 595468264 /nfs/dbraw/zinc/46/82/64/595468264.db2.gz OXTGYAXAKIFIRL-UHFFFAOYSA-N 1 2 345.834 1.803 20 30 EDEDLO C#CCOc1cccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000108603273 595526086 /nfs/dbraw/zinc/52/60/86/595526086.db2.gz ZATMNZGCKCHENW-UHFFFAOYSA-N 1 2 326.356 1.040 20 30 EDEDLO C#CCNC(=O)[C@@H](C)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000857749513 595597070 /nfs/dbraw/zinc/59/70/70/595597070.db2.gz FJJAUXZWYREDHK-MRXNPFEDSA-N 1 2 329.444 1.259 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000857749513 595597071 /nfs/dbraw/zinc/59/70/71/595597071.db2.gz FJJAUXZWYREDHK-MRXNPFEDSA-N 1 2 329.444 1.259 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C#N)ccc1F)C(C)(C)CO ZINC000855114375 595601272 /nfs/dbraw/zinc/60/12/72/595601272.db2.gz LUVGVSSYXWGXPR-CQSZACIVSA-N 1 2 330.363 1.920 20 30 EDEDLO C#CCCOc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000855407306 595697607 /nfs/dbraw/zinc/69/76/07/595697607.db2.gz KXNQYSMCTSTZQU-CVEARBPZSA-N 1 2 330.428 1.928 20 30 EDEDLO C#CCCOc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000855407306 595697609 /nfs/dbraw/zinc/69/76/09/595697609.db2.gz KXNQYSMCTSTZQU-CVEARBPZSA-N 1 2 330.428 1.928 20 30 EDEDLO CCCCCCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000858111944 595702307 /nfs/dbraw/zinc/70/23/07/595702307.db2.gz ZJUYRZKUHXOPLF-UHFFFAOYSA-N 1 2 347.525 1.765 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCCOc1ccc2ccccc2c1 ZINC000111182274 595713040 /nfs/dbraw/zinc/71/30/40/595713040.db2.gz MVBWVULSDMNUDP-UHFFFAOYSA-N 1 2 329.400 1.840 20 30 EDEDLO C#CCCN(CCOC)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000853270590 595725032 /nfs/dbraw/zinc/72/50/32/595725032.db2.gz CLRUZNFDRHXQMO-UHFFFAOYSA-N 1 2 327.388 1.449 20 30 EDEDLO CC(N=Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1c[nH]c[nH+]1 ZINC000853279944 595726404 /nfs/dbraw/zinc/72/64/04/595726404.db2.gz YCURLUFZBVSEKS-UHFFFAOYSA-N 1 2 348.432 1.815 20 30 EDEDLO CC(N=Nc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1c[nH+]c[nH]1 ZINC000853279944 595726407 /nfs/dbraw/zinc/72/64/07/595726407.db2.gz YCURLUFZBVSEKS-UHFFFAOYSA-N 1 2 348.432 1.815 20 30 EDEDLO C[C@@H]1CCCCN1[NH+]=Cc1c(Cl)nc(N)nc1N1CCOCC1 ZINC000853379159 595745554 /nfs/dbraw/zinc/74/55/54/595745554.db2.gz DQQSFGXXXWPUOK-LLVKDONJSA-N 1 2 338.843 1.757 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cc(O[C@H](C)CC)nc(C)n2)CC1 ZINC000858329825 595765917 /nfs/dbraw/zinc/76/59/17/595765917.db2.gz FUVOKNROSCJDGP-CQSZACIVSA-N 1 2 347.463 1.387 20 30 EDEDLO C#CC[C@H](COC)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000861276600 595932833 /nfs/dbraw/zinc/93/28/33/595932833.db2.gz HFUULEAMQWLFLK-CYBMUJFWSA-N 1 2 329.312 1.976 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)CC1 ZINC000854043221 595960821 /nfs/dbraw/zinc/96/08/21/595960821.db2.gz FRTNASVKLYOJQV-GOSISDBHSA-N 1 2 326.444 1.242 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)CC1 ZINC000854043221 595960824 /nfs/dbraw/zinc/96/08/24/595960824.db2.gz FRTNASVKLYOJQV-GOSISDBHSA-N 1 2 326.444 1.242 20 30 EDEDLO CCOC(=O)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C(C)(C)C ZINC000859199973 596001609 /nfs/dbraw/zinc/00/16/09/596001609.db2.gz UDRRIJPENPGORV-GDBMZVCRSA-N 1 2 334.416 1.865 20 30 EDEDLO CC(C)C#CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000854442498 596081325 /nfs/dbraw/zinc/08/13/25/596081325.db2.gz BBZJEOBFKTYNBF-INIZCTEOSA-N 1 2 349.475 1.799 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNC(=O)Cc2cccc3ccccc32)CC1 ZINC000116762819 596108120 /nfs/dbraw/zinc/10/81/20/596108120.db2.gz JTOSSQGFMSZJNP-UHFFFAOYSA-N 1 2 349.434 1.276 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@H]2COCCO2)cc1C ZINC000852495588 596181691 /nfs/dbraw/zinc/18/16/91/596181691.db2.gz KVSHZLPHCYACBP-SFHVURJKSA-N 1 2 345.443 1.897 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2COCCO2)cc1C ZINC000852495588 596181693 /nfs/dbraw/zinc/18/16/93/596181693.db2.gz KVSHZLPHCYACBP-SFHVURJKSA-N 1 2 345.443 1.897 20 30 EDEDLO COC(=O)N(C)CC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000852571048 596200595 /nfs/dbraw/zinc/20/05/95/596200595.db2.gz SSQLRQHHWMOGEQ-UHFFFAOYSA-N 1 2 329.360 1.738 20 30 EDEDLO COC(=O)N(C)CC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000852571048 596200598 /nfs/dbraw/zinc/20/05/98/596200598.db2.gz SSQLRQHHWMOGEQ-UHFFFAOYSA-N 1 2 329.360 1.738 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(Cl)nc(N3CCCC3)c2)CC1 ZINC000112728723 596217995 /nfs/dbraw/zinc/21/79/95/596217995.db2.gz HQPDTXXZOIEQDQ-UHFFFAOYSA-N 1 2 332.835 1.726 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CCOCC1 ZINC000852649275 596218876 /nfs/dbraw/zinc/21/88/76/596218876.db2.gz ZRNTZQGIVSOUOQ-SFHVURJKSA-N 1 2 342.443 1.337 20 30 EDEDLO C=CCC[C@H](NC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1)C(=O)OCC ZINC000868759149 596296659 /nfs/dbraw/zinc/29/66/59/596296659.db2.gz FZEOBKUOPYSOIE-OLZOCXBDSA-N 1 2 332.391 1.978 20 30 EDEDLO C=CCC[C@H](NC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1)C(=O)OCC ZINC000868759149 596296660 /nfs/dbraw/zinc/29/66/60/596296660.db2.gz FZEOBKUOPYSOIE-OLZOCXBDSA-N 1 2 332.391 1.978 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)[C@]3(C#N)CCCOC3)c[nH+]2)CCO1 ZINC000864884238 596403971 /nfs/dbraw/zinc/40/39/71/596403971.db2.gz LAOULNPCGBZSDO-KSSFIOAISA-N 1 2 344.415 1.243 20 30 EDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1 ZINC000871182822 596491923 /nfs/dbraw/zinc/49/19/23/596491923.db2.gz KATNLQKLWGSCOS-MRXNPFEDSA-N 1 2 325.372 1.072 20 30 EDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1 ZINC000871182822 596491925 /nfs/dbraw/zinc/49/19/25/596491925.db2.gz KATNLQKLWGSCOS-MRXNPFEDSA-N 1 2 325.372 1.072 20 30 EDEDLO COc1cccc(C[NH+]2CCN(S(=O)(=O)CCCC#N)CC2)c1 ZINC000867706322 596506211 /nfs/dbraw/zinc/50/62/11/596506211.db2.gz YNLPXXDAYGTCJI-UHFFFAOYSA-N 1 2 337.445 1.446 20 30 EDEDLO C=CCN1CC(=O)N(C[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1=O ZINC000865331012 596542175 /nfs/dbraw/zinc/54/21/75/596542175.db2.gz NNSMCAFVWXYUIM-QGZVFWFLSA-N 1 2 343.427 1.646 20 30 EDEDLO C=CCN1CC(=O)N(C[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1=O ZINC000865331012 596542177 /nfs/dbraw/zinc/54/21/77/596542177.db2.gz NNSMCAFVWXYUIM-QGZVFWFLSA-N 1 2 343.427 1.646 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000867792280 596551698 /nfs/dbraw/zinc/55/16/98/596551698.db2.gz PFKRSPJHVPKWMF-KRWDZBQOSA-N 1 2 338.473 1.691 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000867792280 596551699 /nfs/dbraw/zinc/55/16/99/596551699.db2.gz PFKRSPJHVPKWMF-KRWDZBQOSA-N 1 2 338.473 1.691 20 30 EDEDLO CN(CCc1cccc(C#N)c1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000863437043 596583984 /nfs/dbraw/zinc/58/39/84/596583984.db2.gz WEUJSYFNMCJVHC-UHFFFAOYSA-N 1 2 327.428 1.814 20 30 EDEDLO C=CCCSCCNC(=O)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000867878858 596598250 /nfs/dbraw/zinc/59/82/50/596598250.db2.gz QYLITPFHNHCSSQ-UHFFFAOYSA-N 1 2 348.472 1.286 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(F)c(OC)cc2OC)CC1 ZINC000122028711 596698267 /nfs/dbraw/zinc/69/82/67/596698267.db2.gz FYHRMEUKWDEHPR-UHFFFAOYSA-N 1 2 335.379 1.032 20 30 EDEDLO C=C(Cl)C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(=O)OCC ZINC000870034663 596719010 /nfs/dbraw/zinc/71/90/10/596719010.db2.gz HBHPGCKVMXTTPB-UTUOFQBUSA-N 1 2 325.796 1.714 20 30 EDEDLO N#Cc1ccccc1/C=C\C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870071338 596735161 /nfs/dbraw/zinc/73/51/61/596735161.db2.gz BWUHWHMQENVQGN-OOFWQKGWSA-N 1 2 341.411 1.131 20 30 EDEDLO N#Cc1ccccc1/C=C/C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870071339 596735167 /nfs/dbraw/zinc/73/51/67/596735167.db2.gz BWUHWHMQENVQGN-QWNKOJSDSA-N 1 2 341.411 1.131 20 30 EDEDLO CO[C@H]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)Cc3ccc[nH+]c3N2C1 ZINC000866080455 596780452 /nfs/dbraw/zinc/78/04/52/596780452.db2.gz RYOBUMBMADAPCN-GJZGRUSLSA-N 1 2 337.383 1.531 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C(C1CCC1)[C@H]1CCCO1 ZINC000872329287 596881992 /nfs/dbraw/zinc/88/19/92/596881992.db2.gz MRJGLRFVSMULPB-CQSZACIVSA-N 1 2 340.493 1.118 20 30 EDEDLO S=C1N=NC([C@H]2CCCCO2)N1N=Cc1c[nH]c2nc[nH+]cc12 ZINC000872353408 596884002 /nfs/dbraw/zinc/88/40/02/596884002.db2.gz HHJLEAJMTYUPEB-LLVKDONJSA-N 1 2 329.389 1.914 20 30 EDEDLO Fc1cnc(N=NCc2ccc(OCC[NH+]3CCOCC3)cc2)nc1 ZINC000872360167 596895554 /nfs/dbraw/zinc/89/55/54/596895554.db2.gz CMBHWHLRFNYJQU-UHFFFAOYSA-N 1 2 345.378 1.773 20 30 EDEDLO c1cc(OCC[NH+]2CCOCC2)ccc1CN=Nc1cncnc1 ZINC000872372811 596896045 /nfs/dbraw/zinc/89/60/45/596896045.db2.gz OEBYJBPDOBMJSH-UHFFFAOYSA-N 1 2 327.388 1.634 20 30 EDEDLO C(=NNc1cncnc1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872372811 596896047 /nfs/dbraw/zinc/89/60/47/596896047.db2.gz OEBYJBPDOBMJSH-UHFFFAOYSA-N 1 2 327.388 1.634 20 30 EDEDLO C(=NN=c1[nH]c2cc[nH+]cc2s1)c1cn(C[C@H]2CCCO2)nn1 ZINC000872411417 596900130 /nfs/dbraw/zinc/90/01/30/596900130.db2.gz GSZROKBHNOCHMF-LLVKDONJSA-N 1 2 329.389 1.908 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000872457414 596917216 /nfs/dbraw/zinc/91/72/16/596917216.db2.gz RFIMEPCGHAMLJI-HNNXBMFYSA-N 1 2 349.456 1.210 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000872508834 596942289 /nfs/dbraw/zinc/94/22/89/596942289.db2.gz JZWCLHRGKNWDRN-UHFFFAOYSA-N 1 2 349.456 1.352 20 30 EDEDLO C=C(C)CONC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000875697707 596951014 /nfs/dbraw/zinc/95/10/14/596951014.db2.gz MSNKMLKHQGAARA-UHFFFAOYSA-N 1 2 327.425 1.599 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C[C@@H]4CCCCN4C3=O)CC2)cn1 ZINC000872794940 597072993 /nfs/dbraw/zinc/07/29/93/597072993.db2.gz KLTLWBPKAKHDBO-KRWDZBQOSA-N 1 2 340.431 1.323 20 30 EDEDLO Cc1nccn1C[C@H](C)CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876729088 597310189 /nfs/dbraw/zinc/31/01/89/597310189.db2.gz DQNGGBQFBRQHDR-FZKQIMNGSA-N 1 2 337.427 1.703 20 30 EDEDLO C#CC[C@H](NCc1ccc(OCC[NH+]2CCOCC2)cc1)C(=O)OC ZINC000877583525 597538748 /nfs/dbraw/zinc/53/87/48/597538748.db2.gz RAUDRQQXUDWPPG-SFHVURJKSA-N 1 2 346.427 1.052 20 30 EDEDLO CO[C@H]1C[C@@H]2C[N@H+](Cc3cccc(C#N)n3)Cc3cccnc3N2C1 ZINC000877692116 597547808 /nfs/dbraw/zinc/54/78/08/597547808.db2.gz SRQKBSCMWYYGGZ-MSOLQXFVSA-N 1 2 335.411 1.958 20 30 EDEDLO CO[C@H]1C[C@@H]2C[N@@H+](Cc3cccc(C#N)n3)Cc3cccnc3N2C1 ZINC000877692116 597547809 /nfs/dbraw/zinc/54/78/09/597547809.db2.gz SRQKBSCMWYYGGZ-MSOLQXFVSA-N 1 2 335.411 1.958 20 30 EDEDLO C=CC(C)(C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000878042287 597571632 /nfs/dbraw/zinc/57/16/32/597571632.db2.gz WPXWKRMXFZIQED-UHFFFAOYSA-N 1 2 328.420 1.614 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000878159299 597583037 /nfs/dbraw/zinc/58/30/37/597583037.db2.gz HTYGEQNNNIAYIY-OALUTQOASA-N 1 2 347.459 1.019 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C(=O)OC)ccc2OC)C1=O ZINC000878549333 597630934 /nfs/dbraw/zinc/63/09/34/597630934.db2.gz DQGGVQAWLQHHJN-HNNXBMFYSA-N 1 2 332.400 1.701 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(C(=O)OC)ccc2OC)C1=O ZINC000878549333 597630936 /nfs/dbraw/zinc/63/09/36/597630936.db2.gz DQGGVQAWLQHHJN-HNNXBMFYSA-N 1 2 332.400 1.701 20 30 EDEDLO C#CC1(F)CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000883077618 597640378 /nfs/dbraw/zinc/64/03/78/597640378.db2.gz PGXBWNHVZHIBBH-UHFFFAOYSA-N 1 2 331.391 1.386 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585504 597645441 /nfs/dbraw/zinc/64/54/41/597645441.db2.gz ZQOBXHOUTLDXPS-CYBMUJFWSA-N 1 2 341.415 1.057 20 30 EDEDLO CCOC(=O)C[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879591483 597648200 /nfs/dbraw/zinc/64/82/00/597648200.db2.gz YLGDFKKXSDWXDO-OAHLLOKOSA-N 1 2 335.379 1.133 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)NCC[S@](=O)Cc2ccccc2)C1 ZINC000884154127 598009544 /nfs/dbraw/zinc/00/95/44/598009544.db2.gz ZMANUACWTGIDEO-XDHUDOTRSA-N 1 2 347.484 1.332 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[S@](=O)Cc2ccccc2)C1 ZINC000884154127 598009546 /nfs/dbraw/zinc/00/95/46/598009546.db2.gz ZMANUACWTGIDEO-XDHUDOTRSA-N 1 2 347.484 1.332 20 30 EDEDLO COc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1C#N ZINC000880882377 598025389 /nfs/dbraw/zinc/02/53/89/598025389.db2.gz CXQACHIRWWDQMF-OAHLLOKOSA-N 1 2 330.388 1.505 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(F)cc1OCC(F)F ZINC000884321051 598065581 /nfs/dbraw/zinc/06/55/81/598065581.db2.gz FAPRVJFOOAYBFH-JTQLQIEISA-N 1 2 346.305 1.855 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000884406235 598095661 /nfs/dbraw/zinc/09/56/61/598095661.db2.gz OTIKRSOXVFBNSX-HNNXBMFYSA-N 1 2 341.411 1.808 20 30 EDEDLO CC(C)(C#N)CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000914255585 695316446 /nfs/dbraw/zinc/31/64/46/695316446.db2.gz QPQHBVZZFQFUNW-KGLIPLIRSA-N 1 2 329.466 1.099 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCc2cnn(C)c2)C1 ZINC001031077306 695478625 /nfs/dbraw/zinc/47/86/25/695478625.db2.gz NFWQYDKBDRFBHS-IRXDYDNUSA-N 1 2 332.448 1.134 20 30 EDEDLO N#Cc1cccnc1N[C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]12 ZINC001060556639 695989664 /nfs/dbraw/zinc/98/96/64/695989664.db2.gz HDAUWKPQBOUUIE-VNQPRFMTSA-N 1 2 336.399 1.568 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@@H](O)[C@@H](C)c3ccccc3)C2)cn1 ZINC001031278766 696107916 /nfs/dbraw/zinc/10/79/16/696107916.db2.gz XDZOUTGQCMHRBC-MGPUTAFESA-N 1 2 349.434 1.642 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2nnc[nH]2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000994015172 696492929 /nfs/dbraw/zinc/49/29/29/696492929.db2.gz AMMFJPBZWIFSLD-GWCFXTLKSA-N 1 2 330.417 1.521 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2nnc[nH]2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000994015172 696492931 /nfs/dbraw/zinc/49/29/31/696492931.db2.gz AMMFJPBZWIFSLD-GWCFXTLKSA-N 1 2 330.417 1.521 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H]1C ZINC000994046004 696505328 /nfs/dbraw/zinc/50/53/28/696505328.db2.gz VXPAFXIWOWODIG-NWDGAFQWSA-N 1 2 334.811 1.460 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H]1C ZINC000994046004 696505329 /nfs/dbraw/zinc/50/53/29/696505329.db2.gz VXPAFXIWOWODIG-NWDGAFQWSA-N 1 2 334.811 1.460 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccn(C)n3)[C@@H]2C)cn1 ZINC000994241835 696606774 /nfs/dbraw/zinc/60/67/74/696606774.db2.gz ONMPHTBWEZZKLQ-KDOFPFPSSA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccn(C)n3)[C@@H]2C)cn1 ZINC000994241835 696606776 /nfs/dbraw/zinc/60/67/76/696606776.db2.gz ONMPHTBWEZZKLQ-KDOFPFPSSA-N 1 2 337.427 1.579 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CCC[C@@H](O)C2)CC1=O ZINC000917141177 696953370 /nfs/dbraw/zinc/95/33/70/696953370.db2.gz PLSVHQXAIOECEZ-CHWSQXEVSA-N 1 2 340.427 1.950 20 30 EDEDLO Cc1cnc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)cn1 ZINC001031525553 697210399 /nfs/dbraw/zinc/21/03/99/697210399.db2.gz OEADMWIITWFNRN-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO Cc1cnc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)cn1 ZINC001031525383 697211847 /nfs/dbraw/zinc/21/18/47/697211847.db2.gz GSUQKTDNBKOCLL-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCOC3)C2)cc1F ZINC001031569592 697264683 /nfs/dbraw/zinc/26/46/83/697264683.db2.gz GMTWBVSBOYPFBN-MRXNPFEDSA-N 1 2 331.391 1.672 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)C3=COCCC3)C2)c1 ZINC001031573359 697267891 /nfs/dbraw/zinc/26/78/91/697267891.db2.gz YQUYINLWBGQSJB-UHFFFAOYSA-N 1 2 329.375 1.940 20 30 EDEDLO Cc1nn(C)cc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031586358 697281925 /nfs/dbraw/zinc/28/19/25/697281925.db2.gz ZOEUNIBPEXUYJA-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO Cc1[nH]nc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)c1C ZINC001031589206 697286213 /nfs/dbraw/zinc/28/62/13/697286213.db2.gz LIQYQRRKNQRDKG-UHFFFAOYSA-N 1 2 340.402 1.879 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cc1 ZINC000994825689 698072119 /nfs/dbraw/zinc/07/21/19/698072119.db2.gz KFFGJFBPERJBQG-HZPDHXFCSA-N 1 2 334.379 1.135 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cc1 ZINC000994825689 698072124 /nfs/dbraw/zinc/07/21/24/698072124.db2.gz KFFGJFBPERJBQG-HZPDHXFCSA-N 1 2 334.379 1.135 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)c1cnon1 ZINC000943726550 698781719 /nfs/dbraw/zinc/78/17/19/698781719.db2.gz JTBWUKTXIMTDKO-IAQYHMDHSA-N 1 2 343.362 1.721 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)c1cnon1 ZINC000943726550 698781721 /nfs/dbraw/zinc/78/17/21/698781721.db2.gz JTBWUKTXIMTDKO-IAQYHMDHSA-N 1 2 343.362 1.721 20 30 EDEDLO CCc1nn(C)cc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031754035 698975982 /nfs/dbraw/zinc/97/59/82/698975982.db2.gz KGBNDEJCHXJXSE-UHFFFAOYSA-N 1 2 337.427 1.716 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(F)cc(C)cc3F)CC2)C1 ZINC000941479409 701558945 /nfs/dbraw/zinc/55/89/45/701558945.db2.gz CBOPKFARNIWPKR-UHFFFAOYSA-N 1 2 333.382 1.348 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000939006071 699053272 /nfs/dbraw/zinc/05/32/72/699053272.db2.gz BNAMNKSUHSOHHM-OAHLLOKOSA-N 1 2 345.443 1.904 20 30 EDEDLO CO[C@@H]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001031790948 699245845 /nfs/dbraw/zinc/24/58/45/699245845.db2.gz FYIGFJQKKJUSCH-CRAIPNDOSA-N 1 2 327.428 1.921 20 30 EDEDLO C[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000939157221 699273112 /nfs/dbraw/zinc/27/31/12/699273112.db2.gz BSIADYXGCIDNMI-DYVFJYSZSA-N 1 2 338.415 1.246 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3c(C)noc3C)CC2)C1 ZINC000941605771 701594322 /nfs/dbraw/zinc/59/43/22/701594322.db2.gz YLMGLDBXXDURIS-CQSZACIVSA-N 1 2 344.459 1.247 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3ccc(F)cc3)CC2)C1 ZINC000941641471 701608604 /nfs/dbraw/zinc/60/86/04/701608604.db2.gz BYVYCPWESKQRBD-UHFFFAOYSA-N 1 2 343.446 1.565 20 30 EDEDLO COc1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)nn1C ZINC001031834580 699755671 /nfs/dbraw/zinc/75/56/71/699755671.db2.gz LVLUPTLRXNLWEX-UHFFFAOYSA-N 1 2 339.399 1.162 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC000941653422 701612437 /nfs/dbraw/zinc/61/24/37/701612437.db2.gz SZMFUJUKXVOTTF-QGZVFWFLSA-N 1 2 333.476 1.043 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)C1 ZINC000945431936 700278163 /nfs/dbraw/zinc/27/81/63/700278163.db2.gz MAYCSHYFWOLGQC-HIFRSBDPSA-N 1 2 344.459 1.970 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)o1 ZINC000940692643 700834482 /nfs/dbraw/zinc/83/44/82/700834482.db2.gz CAAIERJSLITXMC-CQSZACIVSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)o1 ZINC000940692643 700834485 /nfs/dbraw/zinc/83/44/85/700834485.db2.gz CAAIERJSLITXMC-CQSZACIVSA-N 1 2 342.403 1.608 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)ccc2=O)C(C)(C)C1 ZINC000940878374 700960188 /nfs/dbraw/zinc/96/01/88/700960188.db2.gz ANNBUWBWDMTNLT-OAHLLOKOSA-N 1 2 337.851 1.968 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)ccc2=O)C(C)(C)C1 ZINC000940878374 700960190 /nfs/dbraw/zinc/96/01/90/700960190.db2.gz ANNBUWBWDMTNLT-OAHLLOKOSA-N 1 2 337.851 1.968 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC000945936909 701319063 /nfs/dbraw/zinc/31/90/63/701319063.db2.gz REVNWTMJQXNGFB-JKSUJKDBSA-N 1 2 340.427 1.205 20 30 EDEDLO C=CCOc1ccc(C(=O)NC2CN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000995129246 701388121 /nfs/dbraw/zinc/38/81/21/701388121.db2.gz WKBJSVKNDDHZGQ-UHFFFAOYSA-N 1 2 340.383 1.158 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)[C@H](C)C1 ZINC000943964111 701761572 /nfs/dbraw/zinc/76/15/72/701761572.db2.gz CPRYKYPYCQSRRW-RHSMWYFYSA-N 1 2 337.427 1.935 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)[C@H](C)C1 ZINC000943964111 701761576 /nfs/dbraw/zinc/76/15/76/701761576.db2.gz CPRYKYPYCQSRRW-RHSMWYFYSA-N 1 2 337.427 1.935 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnns2)[C@H](C)C1 ZINC000941856761 701971464 /nfs/dbraw/zinc/97/14/64/701971464.db2.gz DNLKEIVLUYQDTL-SCZZXKLOSA-N 1 2 345.266 1.887 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnns2)[C@H](C)C1 ZINC000941856761 701971467 /nfs/dbraw/zinc/97/14/67/701971467.db2.gz DNLKEIVLUYQDTL-SCZZXKLOSA-N 1 2 345.266 1.887 20 30 EDEDLO CCCc1noc(C[NH2+][C@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995797563 702038359 /nfs/dbraw/zinc/03/83/59/702038359.db2.gz LYOGEXWRFOZQKS-AWEZNQCLSA-N 1 2 330.432 1.762 20 30 EDEDLO CO[C@H](C)c1noc(C[NH2+][C@@H]2CN(C(=O)C#CC3CC3)CC2(C)C)n1 ZINC000995779480 702069053 /nfs/dbraw/zinc/06/90/53/702069053.db2.gz UCFDAKOXDUSUCY-TZMCWYRMSA-N 1 2 346.431 1.517 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2nncn2C)C[C@H]1C ZINC000942130687 702634815 /nfs/dbraw/zinc/63/48/15/702634815.db2.gz PKUPJXZXIGIVMS-HUUCEWRRSA-N 1 2 342.447 1.443 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2nncn2C)C[C@H]1C ZINC000942130687 702634817 /nfs/dbraw/zinc/63/48/17/702634817.db2.gz PKUPJXZXIGIVMS-HUUCEWRRSA-N 1 2 342.447 1.443 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCc2cn[nH]c2)s1 ZINC001032674529 706691680 /nfs/dbraw/zinc/69/16/80/706691680.db2.gz UPTAGIXCWFBFFA-KBPBESRZSA-N 1 2 341.440 1.761 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCc2cn[nH]c2)s1 ZINC001032674529 706691684 /nfs/dbraw/zinc/69/16/84/706691684.db2.gz UPTAGIXCWFBFFA-KBPBESRZSA-N 1 2 341.440 1.761 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nc(C)no3)C(C)(C)C2)cn1 ZINC000996535623 702849368 /nfs/dbraw/zinc/84/93/68/702849368.db2.gz IEXRQPSQDHVVOE-HNNXBMFYSA-N 1 2 339.399 1.395 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)[C@@H](C)C1 ZINC000942498481 702988863 /nfs/dbraw/zinc/98/88/63/702988863.db2.gz ZMCYVHGVEVDSIX-CMPLNLGQSA-N 1 2 340.807 1.841 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)[C@@H](C)C1 ZINC000942498481 702988865 /nfs/dbraw/zinc/98/88/65/702988865.db2.gz ZMCYVHGVEVDSIX-CMPLNLGQSA-N 1 2 340.807 1.841 20 30 EDEDLO C#CCOc1ccc(C(=O)NCC2C[NH+](Cc3cnc(C)o3)C2)cc1 ZINC001032032730 703092613 /nfs/dbraw/zinc/09/26/13/703092613.db2.gz JHAORTUXEBTLQZ-UHFFFAOYSA-N 1 2 339.395 1.857 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc3nonc3c2)c1 ZINC001032337972 703152776 /nfs/dbraw/zinc/15/27/76/703152776.db2.gz LKTLKRZWWPUNCS-KBPBESRZSA-N 1 2 348.366 1.521 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc3nonc3c2)c1 ZINC001032337972 703152777 /nfs/dbraw/zinc/15/27/77/703152777.db2.gz LKTLKRZWWPUNCS-KBPBESRZSA-N 1 2 348.366 1.521 20 30 EDEDLO Cc1noc(C[NH+]2CCC([C@@H](C)NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC000997006654 703263968 /nfs/dbraw/zinc/26/39/68/703263968.db2.gz SOUNMPPEBCAWMU-LLVKDONJSA-N 1 2 342.403 1.608 20 30 EDEDLO C[C@@H](NC(=O)c1ccc(C#N)[nH]1)C1CC[NH+](Cc2nncs2)CC1 ZINC000997021204 703282733 /nfs/dbraw/zinc/28/27/33/703282733.db2.gz CCJMXAWIYFOMCM-LLVKDONJSA-N 1 2 344.444 1.768 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(OC)ccn2)C1 ZINC001032046802 703308816 /nfs/dbraw/zinc/30/88/16/703308816.db2.gz BERMKQPGVHSXTI-ROUUACIJSA-N 1 2 345.443 1.619 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCN(C)C1=O ZINC001032423185 703582856 /nfs/dbraw/zinc/58/28/56/703582856.db2.gz ZFFXEBCAOKUHKE-AVGNSLFASA-N 1 2 325.840 1.281 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCN(C)C1=O ZINC001032423185 703582858 /nfs/dbraw/zinc/58/28/58/703582858.db2.gz ZFFXEBCAOKUHKE-AVGNSLFASA-N 1 2 325.840 1.281 20 30 EDEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001032485671 703741487 /nfs/dbraw/zinc/74/14/87/703741487.db2.gz ZCRDWKBRPDNXRD-RDBSUJKOSA-N 1 2 334.851 1.861 20 30 EDEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001032485671 703741488 /nfs/dbraw/zinc/74/14/88/703741488.db2.gz ZCRDWKBRPDNXRD-RDBSUJKOSA-N 1 2 334.851 1.861 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2ccc(F)cc2O1 ZINC001032521241 703968049 /nfs/dbraw/zinc/96/80/49/703968049.db2.gz BKWHVKNLFCLAKS-ULQDDVLXSA-N 1 2 328.387 1.828 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2ccc(F)cc2O1 ZINC001032521241 703968050 /nfs/dbraw/zinc/96/80/50/703968050.db2.gz BKWHVKNLFCLAKS-ULQDDVLXSA-N 1 2 328.387 1.828 20 30 EDEDLO CCOc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)s1 ZINC000995564937 703997958 /nfs/dbraw/zinc/99/79/58/703997958.db2.gz RLQLUZXBHAHQDX-QWRGUYRKSA-N 1 2 337.449 1.423 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)Cc2ccn(C)n2)C1 ZINC001033073615 704113848 /nfs/dbraw/zinc/11/38/48/704113848.db2.gz BZMUTDQIERRWHE-ZDUSSCGKSA-N 1 2 341.253 1.404 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccn(C)n2)C1 ZINC001033073615 704113851 /nfs/dbraw/zinc/11/38/51/704113851.db2.gz BZMUTDQIERRWHE-ZDUSSCGKSA-N 1 2 341.253 1.404 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(CCOC)nc2C)C1 ZINC001033076275 704124821 /nfs/dbraw/zinc/12/48/21/704124821.db2.gz LUSGCTRFVHNTAN-CQSZACIVSA-N 1 2 340.855 1.737 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(CCOC)nc2C)C1 ZINC001033076275 704124823 /nfs/dbraw/zinc/12/48/23/704124823.db2.gz LUSGCTRFVHNTAN-CQSZACIVSA-N 1 2 340.855 1.737 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001033086390 704151285 /nfs/dbraw/zinc/15/12/85/704151285.db2.gz GPLLJKZZZFWTOL-ZACQAIPSSA-N 1 2 346.475 1.917 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001033086390 704151288 /nfs/dbraw/zinc/15/12/88/704151288.db2.gz GPLLJKZZZFWTOL-ZACQAIPSSA-N 1 2 346.475 1.917 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2[nH]cnc2C)CC1 ZINC001004283286 704195796 /nfs/dbraw/zinc/19/57/96/704195796.db2.gz WKRDIQQPDLCZFJ-UHFFFAOYSA-N 1 2 327.226 1.821 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC001061478536 704259907 /nfs/dbraw/zinc/25/99/07/704259907.db2.gz ZVZVEDKATBVXTD-NUEKZKHPSA-N 1 2 336.399 1.565 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC001061478536 704259910 /nfs/dbraw/zinc/25/99/10/704259910.db2.gz ZVZVEDKATBVXTD-NUEKZKHPSA-N 1 2 336.399 1.565 20 30 EDEDLO CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000995639425 704642191 /nfs/dbraw/zinc/64/21/91/704642191.db2.gz SOKNERNISJNHKI-ZDUSSCGKSA-N 1 2 330.417 1.378 20 30 EDEDLO CC(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998963377 706383506 /nfs/dbraw/zinc/38/35/06/706383506.db2.gz XCAJEARCUPHLRY-CYBMUJFWSA-N 1 2 342.403 1.787 20 30 EDEDLO COCc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999127926 706529522 /nfs/dbraw/zinc/52/95/22/706529522.db2.gz KPGKQSZSZDHZKX-TZMCWYRMSA-N 1 2 332.404 1.271 20 30 EDEDLO COc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)nn1 ZINC001032716052 706988065 /nfs/dbraw/zinc/98/80/65/706988065.db2.gz NLQKFOJBGJACNS-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO COc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)nn1 ZINC001032716052 706988066 /nfs/dbraw/zinc/98/80/66/706988066.db2.gz NLQKFOJBGJACNS-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn(CCOC)n2)C1 ZINC001033252499 707220319 /nfs/dbraw/zinc/22/03/19/707220319.db2.gz ICHLBLZAOCKBCV-ZDUSSCGKSA-N 1 2 326.828 1.428 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CCOC)n2)C1 ZINC001033252499 707220323 /nfs/dbraw/zinc/22/03/23/707220323.db2.gz ICHLBLZAOCKBCV-ZDUSSCGKSA-N 1 2 326.828 1.428 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001033287777 707371430 /nfs/dbraw/zinc/37/14/30/707371430.db2.gz RTSYNVOMIBLFOJ-ZDUSSCGKSA-N 1 2 349.822 1.818 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001033287777 707371434 /nfs/dbraw/zinc/37/14/34/707371434.db2.gz RTSYNVOMIBLFOJ-ZDUSSCGKSA-N 1 2 349.822 1.818 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001033287776 707371457 /nfs/dbraw/zinc/37/14/57/707371457.db2.gz RTSYNVOMIBLFOJ-CYBMUJFWSA-N 1 2 349.822 1.818 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cn3ccnn3)o2)C1 ZINC001033287776 707371463 /nfs/dbraw/zinc/37/14/63/707371463.db2.gz RTSYNVOMIBLFOJ-CYBMUJFWSA-N 1 2 349.822 1.818 20 30 EDEDLO C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001061631121 707412972 /nfs/dbraw/zinc/41/29/72/707412972.db2.gz NLDNWGLIPUAUOA-OAHLLOKOSA-N 1 2 334.420 1.042 20 30 EDEDLO C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001061631121 707412974 /nfs/dbraw/zinc/41/29/74/707412974.db2.gz NLDNWGLIPUAUOA-OAHLLOKOSA-N 1 2 334.420 1.042 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033310960 707465277 /nfs/dbraw/zinc/46/52/77/707465277.db2.gz BKHXTDPQOFOKJV-AWEZNQCLSA-N 1 2 327.413 1.756 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033310960 707465280 /nfs/dbraw/zinc/46/52/80/707465280.db2.gz BKHXTDPQOFOKJV-AWEZNQCLSA-N 1 2 327.413 1.756 20 30 EDEDLO CN(C(=O)c1n[nH]cc1F)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033401574 707808746 /nfs/dbraw/zinc/80/87/46/707808746.db2.gz VAIQZJWGYZLYMI-AWEZNQCLSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1n[nH]cc1F)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033401574 707808749 /nfs/dbraw/zinc/80/87/49/707808749.db2.gz VAIQZJWGYZLYMI-AWEZNQCLSA-N 1 2 327.363 1.767 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001004994225 707878932 /nfs/dbraw/zinc/87/89/32/707878932.db2.gz WLOWOWKGEYQECB-HUUCEWRRSA-N 1 2 330.432 1.593 20 30 EDEDLO Cc1nccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)n1 ZINC001032787983 708008455 /nfs/dbraw/zinc/00/84/55/708008455.db2.gz FYZLFNPEUBDISJ-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO Cc1nccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)n1 ZINC001032787983 708008458 /nfs/dbraw/zinc/00/84/58/708008458.db2.gz FYZLFNPEUBDISJ-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO C[C@H](c1nncn1C)[N@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001000564415 708048734 /nfs/dbraw/zinc/04/87/34/708048734.db2.gz RZVALWBCPAIREV-GFCCVEGCSA-N 1 2 339.403 1.138 20 30 EDEDLO C[C@H](c1nncn1C)[N@@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001000564415 708048736 /nfs/dbraw/zinc/04/87/36/708048736.db2.gz RZVALWBCPAIREV-GFCCVEGCSA-N 1 2 339.403 1.138 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](C)[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001005197811 708173157 /nfs/dbraw/zinc/17/31/57/708173157.db2.gz LZFIRJNPQFOWDX-UONOGXRCSA-N 1 2 330.432 1.662 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001005197809 708173205 /nfs/dbraw/zinc/17/32/05/708173205.db2.gz LZFIRJNPQFOWDX-KGLIPLIRSA-N 1 2 330.432 1.662 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001033563605 708239524 /nfs/dbraw/zinc/23/95/24/708239524.db2.gz YFHAMMUWAHJXOF-ZBFHGGJFSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 ZINC001033563605 708239526 /nfs/dbraw/zinc/23/95/26/708239526.db2.gz YFHAMMUWAHJXOF-ZBFHGGJFSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001033570678 708272279 /nfs/dbraw/zinc/27/22/79/708272279.db2.gz JOCCFCVOWSIIDN-ZDUSSCGKSA-N 1 2 348.838 1.709 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]nc2-c2cnn(C)c2)C1 ZINC001033570678 708272282 /nfs/dbraw/zinc/27/22/82/708272282.db2.gz JOCCFCVOWSIIDN-ZDUSSCGKSA-N 1 2 348.838 1.709 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2nnc(CC)o2)CC1 ZINC001001852659 708355354 /nfs/dbraw/zinc/35/53/54/708355354.db2.gz UAPCQBYMXURGGY-CABCVRRESA-N 1 2 348.447 1.551 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2C)CC1 ZINC001005252415 708410325 /nfs/dbraw/zinc/41/03/25/708410325.db2.gz QWFKAMNAUGRFHG-DOTOQJQBSA-N 1 2 344.459 1.983 20 30 EDEDLO CN(C(=O)c1ccn(C)n1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033655870 708424725 /nfs/dbraw/zinc/42/47/25/708424725.db2.gz LPBYYLQFVMWOPS-KRWDZBQOSA-N 1 2 340.402 1.757 20 30 EDEDLO CN(C(=O)c1ccn(C)n1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033655870 708424728 /nfs/dbraw/zinc/42/47/28/708424728.db2.gz LPBYYLQFVMWOPS-KRWDZBQOSA-N 1 2 340.402 1.757 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001005300542 708588254 /nfs/dbraw/zinc/58/82/54/708588254.db2.gz BKJSINYZWYGRRP-HIFRSBDPSA-N 1 2 332.448 1.908 20 30 EDEDLO C=CCCC(=O)N1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001061075976 708844415 /nfs/dbraw/zinc/84/44/15/708844415.db2.gz TYFOKYCRSKKGRA-UHFFFAOYSA-N 1 2 344.459 1.770 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2nccnc2N)CC1 ZINC001002491514 709044599 /nfs/dbraw/zinc/04/45/99/709044599.db2.gz YVJCEDWHCBNXNQ-UHFFFAOYSA-N 1 2 340.225 1.162 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000921986962 709374525 /nfs/dbraw/zinc/37/45/25/709374525.db2.gz RCZOBNBIEXCHDX-UHFFFAOYSA-N 1 2 326.447 1.234 20 30 EDEDLO Cc1nnc([C@H](C)[N@@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001034170878 709483832 /nfs/dbraw/zinc/48/38/32/709483832.db2.gz FGKROIJXJIUHEK-FZMZJTMJSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1nnc([C@H](C)[N@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)o1 ZINC001034170878 709483833 /nfs/dbraw/zinc/48/38/33/709483833.db2.gz FGKROIJXJIUHEK-FZMZJTMJSA-N 1 2 342.403 1.923 20 30 EDEDLO Cn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001034171025 709484357 /nfs/dbraw/zinc/48/43/57/709484357.db2.gz HFINNWBLKHQEJF-AWEZNQCLSA-N 1 2 326.404 1.404 20 30 EDEDLO Cn1ccc(C[N@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001034171025 709484358 /nfs/dbraw/zinc/48/43/58/709484358.db2.gz HFINNWBLKHQEJF-AWEZNQCLSA-N 1 2 326.404 1.404 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn(CCOC)n2)C1 ZINC001034305781 709743844 /nfs/dbraw/zinc/74/38/44/709743844.db2.gz LXJMXJBEZGYOOM-CQSZACIVSA-N 1 2 340.855 1.866 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(CCOC)n2)C1 ZINC001034305781 709743848 /nfs/dbraw/zinc/74/38/48/709743848.db2.gz LXJMXJBEZGYOOM-CQSZACIVSA-N 1 2 340.855 1.866 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2nc3nccc(C)n3n2)C1 ZINC001034511963 710157922 /nfs/dbraw/zinc/15/79/22/710157922.db2.gz HGJWMXWWOTUGEV-CYBMUJFWSA-N 1 2 348.838 1.770 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2nc3nccc(C)n3n2)C1 ZINC001034511963 710157923 /nfs/dbraw/zinc/15/79/23/710157923.db2.gz HGJWMXWWOTUGEV-CYBMUJFWSA-N 1 2 348.838 1.770 20 30 EDEDLO C=CCCCC(=O)N1CCOC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001061765102 710304544 /nfs/dbraw/zinc/30/45/44/710304544.db2.gz FQMCVBUAHLDEMV-OAHLLOKOSA-N 1 2 348.447 1.053 20 30 EDEDLO Cc1nc(N(C)[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)ccc1C#N ZINC001061270902 710379971 /nfs/dbraw/zinc/37/99/71/710379971.db2.gz CAJUSTGDBNQJMY-MRXNPFEDSA-N 1 2 338.415 1.655 20 30 EDEDLO CN(c1ccc(C#N)cn1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001061281004 710421423 /nfs/dbraw/zinc/42/14/23/710421423.db2.gz LDUDLSQZUREJDR-INIZCTEOSA-N 1 2 338.415 1.736 20 30 EDEDLO CN(c1ccc(C#N)cn1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001061281004 710421425 /nfs/dbraw/zinc/42/14/25/710421425.db2.gz LDUDLSQZUREJDR-INIZCTEOSA-N 1 2 338.415 1.736 20 30 EDEDLO C=C[C@@H](CC)CC(=O)NC[C@@H]1COCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001061798020 710969135 /nfs/dbraw/zinc/96/91/35/710969135.db2.gz TUFTUSPTVGTHCX-LSDHHAIUSA-N 1 2 348.447 1.207 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)Cc2cncn2C)CC1 ZINC001003972023 711124694 /nfs/dbraw/zinc/12/46/94/711124694.db2.gz UFQOJKDAVKFDNP-UHFFFAOYSA-N 1 2 341.253 1.452 20 30 EDEDLO C=C(Br)CN1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003972023 711124696 /nfs/dbraw/zinc/12/46/96/711124696.db2.gz UFQOJKDAVKFDNP-UHFFFAOYSA-N 1 2 341.253 1.452 20 30 EDEDLO CC(C)CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C)C#N)n1 ZINC001034880220 711279546 /nfs/dbraw/zinc/27/95/46/711279546.db2.gz UTPYICJZGBXATL-UONOGXRCSA-N 1 2 333.436 1.898 20 30 EDEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033021105 711323178 /nfs/dbraw/zinc/32/31/78/711323178.db2.gz VDILDGBCPOROTA-INIZCTEOSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033021105 711323181 /nfs/dbraw/zinc/32/31/81/711323181.db2.gz VDILDGBCPOROTA-INIZCTEOSA-N 1 2 327.363 1.767 20 30 EDEDLO N#Cc1nccnc1N1CCC[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC001061413365 711600373 /nfs/dbraw/zinc/60/03/73/711600373.db2.gz FNSIDOKHBSQQAG-ZDUSSCGKSA-N 1 2 347.382 1.395 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC001004472284 711848941 /nfs/dbraw/zinc/84/89/41/711848941.db2.gz GCNBJVYSNLVLOK-IRXDYDNUSA-N 1 2 341.459 1.672 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC001004472284 711848942 /nfs/dbraw/zinc/84/89/42/711848942.db2.gz GCNBJVYSNLVLOK-IRXDYDNUSA-N 1 2 341.459 1.672 20 30 EDEDLO N#CCN1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001004473870 711850287 /nfs/dbraw/zinc/85/02/87/711850287.db2.gz MUHWATQZDBDSPG-SJLPKXTDSA-N 1 2 341.459 1.672 20 30 EDEDLO C=CCn1cc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)nn1 ZINC001004582794 712015241 /nfs/dbraw/zinc/01/52/41/712015241.db2.gz YLQFOBJAHWEBNQ-INIZCTEOSA-N 1 2 328.420 1.304 20 30 EDEDLO C=CCn1cc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)nn1 ZINC001004582794 712015242 /nfs/dbraw/zinc/01/52/42/712015242.db2.gz YLQFOBJAHWEBNQ-INIZCTEOSA-N 1 2 328.420 1.304 20 30 EDEDLO Cc1nn(C)c(F)c1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004610555 712064317 /nfs/dbraw/zinc/06/43/17/712064317.db2.gz RUOWBDSOTIOZGD-CQSZACIVSA-N 1 2 333.411 1.708 20 30 EDEDLO Cc1nn(C)c(F)c1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004610555 712064319 /nfs/dbraw/zinc/06/43/19/712064319.db2.gz RUOWBDSOTIOZGD-CQSZACIVSA-N 1 2 333.411 1.708 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC001004618501 712079049 /nfs/dbraw/zinc/07/90/49/712079049.db2.gz XGFFAUFFJPANGB-OAHLLOKOSA-N 1 2 341.415 1.021 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC001004618501 712079051 /nfs/dbraw/zinc/07/90/51/712079051.db2.gz XGFFAUFFJPANGB-OAHLLOKOSA-N 1 2 341.415 1.021 20 30 EDEDLO C[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)N1CCCCC1=O ZINC001004619485 712080334 /nfs/dbraw/zinc/08/03/34/712080334.db2.gz KVQOOTUWPABTLR-DOTOQJQBSA-N 1 2 346.475 1.614 20 30 EDEDLO C[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)N1CCCCC1=O ZINC001004619485 712080335 /nfs/dbraw/zinc/08/03/35/712080335.db2.gz KVQOOTUWPABTLR-DOTOQJQBSA-N 1 2 346.475 1.614 20 30 EDEDLO Cc1nc(N2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000353573921 282187114 /nfs/dbraw/zinc/18/71/14/282187114.db2.gz WCDVXUXOOKJQTR-QGZVFWFLSA-N 1 2 336.399 1.005 20 30 EDEDLO Cc1noc(C)c1NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000329570458 539444382 /nfs/dbraw/zinc/44/43/82/539444382.db2.gz MHLIQSQUFPGSRF-LLVKDONJSA-N 1 2 335.408 1.962 20 30 EDEDLO Cc1ccn2cc(CNC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)nc2c1 ZINC000329732017 539461208 /nfs/dbraw/zinc/46/12/08/539461208.db2.gz INDQSXDHNSQPSE-INIZCTEOSA-N 1 2 343.431 1.463 20 30 EDEDLO CN1C[C@H]([NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCC1=O ZINC000329823106 539467586 /nfs/dbraw/zinc/46/75/86/539467586.db2.gz HNMFDLZTCGHMOK-OLZOCXBDSA-N 1 2 347.463 1.620 20 30 EDEDLO CN1C[C@H](NC([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCC1=O ZINC000329823106 539467588 /nfs/dbraw/zinc/46/75/88/539467588.db2.gz HNMFDLZTCGHMOK-OLZOCXBDSA-N 1 2 347.463 1.620 20 30 EDEDLO CCN(C1CC[NH+](Cc2ccc(F)cc2C#N)CC1)S(C)(=O)=O ZINC000066882702 215090103 /nfs/dbraw/zinc/09/01/03/215090103.db2.gz CCPUKWJAJPNGFA-UHFFFAOYSA-N 1 2 339.436 1.943 20 30 EDEDLO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000562442935 306298648 /nfs/dbraw/zinc/29/86/48/306298648.db2.gz BCLLYBUAAQXLMH-CQSZACIVSA-N 1 2 346.456 1.795 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1N(CCC#N)Cc1cccnc1 ZINC000367922793 291067268 /nfs/dbraw/zinc/06/72/68/291067268.db2.gz XGEJWDFSBFMZOT-FUHWJXTLSA-N 1 2 329.448 1.507 20 30 EDEDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073647708 138220177 /nfs/dbraw/zinc/22/01/77/138220177.db2.gz MUOPYMOVQWWRDI-CQSZACIVSA-N 1 2 329.448 1.769 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(C#N)cs2)C1 ZINC000092964787 138291072 /nfs/dbraw/zinc/29/10/72/138291072.db2.gz QRWSKSPCQSLIBJ-AWEZNQCLSA-N 1 2 349.456 1.853 20 30 EDEDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000092964787 138291073 /nfs/dbraw/zinc/29/10/73/138291073.db2.gz QRWSKSPCQSLIBJ-AWEZNQCLSA-N 1 2 349.456 1.853 20 30 EDEDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)NC1(C#N)CCCCC1 ZINC000127398998 237185717 /nfs/dbraw/zinc/18/57/17/237185717.db2.gz DKCUZTIQJYARTH-AWEZNQCLSA-N 1 2 325.478 1.783 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000177380461 237380716 /nfs/dbraw/zinc/38/07/16/237380716.db2.gz PAAAJKIYUOZZIA-UHFFFAOYSA-N 1 2 341.415 1.045 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)C1CC1 ZINC000274230644 201266865 /nfs/dbraw/zinc/26/68/65/201266865.db2.gz WPQSIZYGGPCZNC-UHFFFAOYSA-N 1 2 325.412 1.527 20 30 EDEDLO C#CC[N@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)C1CC1 ZINC000274230644 201266868 /nfs/dbraw/zinc/26/68/68/201266868.db2.gz WPQSIZYGGPCZNC-UHFFFAOYSA-N 1 2 325.412 1.527 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(OC)cccc2OC)CC1 ZINC000274602216 201270300 /nfs/dbraw/zinc/27/03/00/201270300.db2.gz FGUNLTWSDLJPOL-UHFFFAOYSA-N 1 2 338.429 1.033 20 30 EDEDLO C#C[C@H](C)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000275932285 201288395 /nfs/dbraw/zinc/28/83/95/201288395.db2.gz INBNETJWPZNSDJ-KBPBESRZSA-N 1 2 329.400 1.156 20 30 EDEDLO COCc1noc(CN2CC[NH+](CC#Cc3ccccc3)CC2)n1 ZINC000277028336 201300253 /nfs/dbraw/zinc/30/02/53/201300253.db2.gz RUJZPGMJKLSUIN-UHFFFAOYSA-N 1 2 326.400 1.385 20 30 EDEDLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000076343473 203349033 /nfs/dbraw/zinc/34/90/33/203349033.db2.gz CYZJZWDIPNQGOC-MRXNPFEDSA-N 1 2 339.399 1.793 20 30 EDEDLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000076343473 203349037 /nfs/dbraw/zinc/34/90/37/203349037.db2.gz CYZJZWDIPNQGOC-MRXNPFEDSA-N 1 2 339.399 1.793 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245420270 139073393 /nfs/dbraw/zinc/07/33/93/139073393.db2.gz HKKPCXHQFIFNPO-YGRLFVJLSA-N 1 2 327.306 1.884 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000245420270 139073394 /nfs/dbraw/zinc/07/33/94/139073394.db2.gz HKKPCXHQFIFNPO-YGRLFVJLSA-N 1 2 327.306 1.884 20 30 EDEDLO C#CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000265059242 249345152 /nfs/dbraw/zinc/34/51/52/249345152.db2.gz LLDIIKYCNPDTQI-MRXNPFEDSA-N 1 2 342.399 1.849 20 30 EDEDLO CCN(CCC#N)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000266918683 249352466 /nfs/dbraw/zinc/35/24/66/249352466.db2.gz LJDVNKGVTYMOAS-UHFFFAOYSA-N 1 2 330.432 1.693 20 30 EDEDLO C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1n1cc[nH+]c1 ZINC000247649047 139153327 /nfs/dbraw/zinc/15/33/27/139153327.db2.gz PBOLRTRZNXZHRV-SWLSCSKDSA-N 1 2 331.401 1.422 20 30 EDEDLO C=CCC[N@@H+](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000342728359 250009164 /nfs/dbraw/zinc/00/91/64/250009164.db2.gz WKNXIIZMCJTTSP-INIZCTEOSA-N 1 2 342.505 1.843 20 30 EDEDLO C=CCC[N@H+](C)CC(=O)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000342728359 250009169 /nfs/dbraw/zinc/00/91/69/250009169.db2.gz WKNXIIZMCJTTSP-INIZCTEOSA-N 1 2 342.505 1.843 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000341887274 250003504 /nfs/dbraw/zinc/00/35/04/250003504.db2.gz OVNKJPLCRDKQSQ-GJZGRUSLSA-N 1 2 333.432 1.904 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)NCC(C)(C)C#N)nc[nH+]1 ZINC000353816609 250084222 /nfs/dbraw/zinc/08/42/22/250084222.db2.gz RAOILZFHMQRHEF-LBPRGKRZSA-N 1 2 331.424 1.336 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)NCC(C)(C)C#N)[nH+]cn1 ZINC000353816609 250084225 /nfs/dbraw/zinc/08/42/25/250084225.db2.gz RAOILZFHMQRHEF-LBPRGKRZSA-N 1 2 331.424 1.336 20 30 EDEDLO N#CC1(CS(=O)(=O)NCC[NH+]2CCSCC2)CCCCC1 ZINC000355837647 250121993 /nfs/dbraw/zinc/12/19/93/250121993.db2.gz 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C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(CC(C)C)CCC2)CC1 ZINC000370372172 250206177 /nfs/dbraw/zinc/20/61/77/250206177.db2.gz VBJWOBJWLGCUIW-UHFFFAOYSA-N 1 2 333.476 1.487 20 30 EDEDLO COc1ncccc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000373279578 250236411 /nfs/dbraw/zinc/23/64/11/250236411.db2.gz TVUFZIFTDKMISA-IFXJQAMLSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1ncccc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000373279578 250236414 /nfs/dbraw/zinc/23/64/14/250236414.db2.gz TVUFZIFTDKMISA-IFXJQAMLSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1ccc2c(c1)OCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000374855092 250273725 /nfs/dbraw/zinc/27/37/25/250273725.db2.gz JSOAQBQOGQNDEP-UHFFFAOYSA-N 1 2 342.399 1.546 20 30 EDEDLO COc1ccc2c(c1)OCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2 ZINC000374855092 250273729 /nfs/dbraw/zinc/27/37/29/250273729.db2.gz JSOAQBQOGQNDEP-UHFFFAOYSA-N 1 2 342.399 1.546 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378099619 250296149 /nfs/dbraw/zinc/29/61/49/250296149.db2.gz RXUSGQAKVIDCGQ-CQSZACIVSA-N 1 2 337.383 1.186 20 30 EDEDLO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378099619 250296153 /nfs/dbraw/zinc/29/61/53/250296153.db2.gz RXUSGQAKVIDCGQ-CQSZACIVSA-N 1 2 337.383 1.186 20 30 EDEDLO Cc1ccc(C(N)=O)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000176558084 207238810 /nfs/dbraw/zinc/23/88/10/207238810.db2.gz KRCWQPHQHGQEQQ-UHFFFAOYSA-N 1 2 331.420 1.793 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177017574 285036899 /nfs/dbraw/zinc/03/68/99/285036899.db2.gz WWONDIOOYARDBT-KFWWJZLASA-N 1 2 343.493 1.282 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177017574 285036903 /nfs/dbraw/zinc/03/69/03/285036903.db2.gz WWONDIOOYARDBT-KFWWJZLASA-N 1 2 343.493 1.282 20 30 EDEDLO N#Cc1nccnc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000263773525 139359440 /nfs/dbraw/zinc/35/94/40/139359440.db2.gz HMNRLWLPEWHPID-UHFFFAOYSA-N 1 2 339.399 1.671 20 30 EDEDLO C=C(C)CCNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000458992152 254950267 /nfs/dbraw/zinc/95/02/67/254950267.db2.gz CURKWBHFMDRTRR-KRWDZBQOSA-N 1 2 347.459 1.720 20 30 EDEDLO C=CCCCS(=O)(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000489108577 255064598 /nfs/dbraw/zinc/06/45/98/255064598.db2.gz SDAFYQJTQQXRGJ-XHSDSOJGSA-N 1 2 330.494 1.856 20 30 EDEDLO C=CCCCS(=O)(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000489108577 255064599 /nfs/dbraw/zinc/06/45/99/255064599.db2.gz SDAFYQJTQQXRGJ-XHSDSOJGSA-N 1 2 330.494 1.856 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccoc3)n2C[C@H]2CCCO2)CC1 ZINC000491069625 255117814 /nfs/dbraw/zinc/11/78/14/255117814.db2.gz XLJVBQBUNAQGOD-MRXNPFEDSA-N 1 2 341.415 1.472 20 30 EDEDLO C#C[C@H](CCC)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000491677601 255139458 /nfs/dbraw/zinc/13/94/58/255139458.db2.gz QWEJNVHSFIMWNW-MRXNPFEDSA-N 1 2 330.428 1.980 20 30 EDEDLO C#C[C@H](CCC)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000491677601 255139460 /nfs/dbraw/zinc/13/94/60/255139460.db2.gz QWEJNVHSFIMWNW-MRXNPFEDSA-N 1 2 330.428 1.980 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)c2ccc3[nH+]ccn3c2)n1 ZINC000491785993 255147280 /nfs/dbraw/zinc/14/72/80/255147280.db2.gz SVRPQLFNZCEYND-UHFFFAOYSA-N 1 2 337.383 1.453 20 30 EDEDLO C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000493324241 255204281 /nfs/dbraw/zinc/20/42/81/255204281.db2.gz QUTPRHJFSSVUSK-QUMLYMBLSA-N 1 2 328.416 1.165 20 30 EDEDLO COCCOc1cccc(/C=C\C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1 ZINC000493488880 255211553 /nfs/dbraw/zinc/21/15/53/255211553.db2.gz HQAPABUQNNCLMP-GIFJBRJJSA-N 1 2 331.416 1.685 20 30 EDEDLO CN(C[C@@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1)C(=O)OC(C)(C)C ZINC000495189326 255271752 /nfs/dbraw/zinc/27/17/52/255271752.db2.gz LLMLJVFKPFVXAN-AWEZNQCLSA-N 1 2 346.431 1.866 20 30 EDEDLO CN(C[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1)C(=O)OC(C)(C)C ZINC000495189326 255271753 /nfs/dbraw/zinc/27/17/53/255271753.db2.gz LLMLJVFKPFVXAN-AWEZNQCLSA-N 1 2 346.431 1.866 20 30 EDEDLO C=CCC(F)(F)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495605465 255308556 /nfs/dbraw/zinc/30/85/56/255308556.db2.gz RWBHBVMCMLWNOP-GFCCVEGCSA-N 1 2 347.406 1.865 20 30 EDEDLO C=CCC(F)(F)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495605465 255308557 /nfs/dbraw/zinc/30/85/57/255308557.db2.gz RWBHBVMCMLWNOP-GFCCVEGCSA-N 1 2 347.406 1.865 20 30 EDEDLO C[C@@H](C[NH+]1CCN(c2cnccc2C#N)CC1)NC(=O)OC(C)(C)C ZINC000496369574 255388023 /nfs/dbraw/zinc/38/80/23/255388023.db2.gz WNNSTWNBODPTAQ-AWEZNQCLSA-N 1 2 345.447 1.988 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000339877366 142188003 /nfs/dbraw/zinc/18/80/03/142188003.db2.gz FBRQPJDNWKVPFU-UHFFFAOYSA-N 1 2 349.394 1.236 20 30 EDEDLO N#Cc1cscc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000339913964 142198197 /nfs/dbraw/zinc/19/81/97/142198197.db2.gz XWJWKGMSFRROAK-UHFFFAOYSA-N 1 2 331.401 1.401 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000347083768 143280578 /nfs/dbraw/zinc/28/05/78/143280578.db2.gz LKTJYFMMQXNTAJ-ZWKOTPCHSA-N 1 2 336.395 1.771 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000347083768 143280579 /nfs/dbraw/zinc/28/05/79/143280579.db2.gz LKTJYFMMQXNTAJ-ZWKOTPCHSA-N 1 2 336.395 1.771 20 30 EDEDLO Cc1cc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)cc(C#N)n1 ZINC000341347713 143898992 /nfs/dbraw/zinc/89/89/92/143898992.db2.gz AYJVZBGDGLWGOT-UHFFFAOYSA-N 1 2 349.438 1.700 20 30 EDEDLO N#Cc1cccc(F)c1CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000352839093 149186772 /nfs/dbraw/zinc/18/67/72/149186772.db2.gz OAJQAJXLZWXVMG-UHFFFAOYSA-N 1 2 327.363 1.307 20 30 EDEDLO N#Cc1cccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c1 ZINC000353196649 149320419 /nfs/dbraw/zinc/32/04/19/149320419.db2.gz ZQBDNJVJVADRNK-KRWDZBQOSA-N 1 2 329.400 1.122 20 30 EDEDLO Cn1cc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)cc1C#N ZINC000355421446 150262320 /nfs/dbraw/zinc/26/23/20/150262320.db2.gz OSZLTPDVVJHNOK-AWEZNQCLSA-N 1 2 347.216 1.975 20 30 EDEDLO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)c1cccc(C#N)c1 ZINC000360619797 152126233 /nfs/dbraw/zinc/12/62/33/152126233.db2.gz MHOOXQCUNGWZEN-HDMKZQKVSA-N 1 2 327.428 1.983 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c(Br)c1 ZINC000363799067 153059802 /nfs/dbraw/zinc/05/98/02/153059802.db2.gz KJAIXGVLRPCVIP-AWEZNQCLSA-N 1 2 336.233 1.837 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c(Br)c1 ZINC000363799067 153059804 /nfs/dbraw/zinc/05/98/04/153059804.db2.gz KJAIXGVLRPCVIP-AWEZNQCLSA-N 1 2 336.233 1.837 20 30 EDEDLO CCC(=O)N1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000365356782 153493300 /nfs/dbraw/zinc/49/33/00/153493300.db2.gz IPLGRTDZXWQJOJ-KRWDZBQOSA-N 1 2 340.427 1.608 20 30 EDEDLO CCC(=O)N1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000365356782 153493302 /nfs/dbraw/zinc/49/33/02/153493302.db2.gz IPLGRTDZXWQJOJ-KRWDZBQOSA-N 1 2 340.427 1.608 20 30 EDEDLO C[C@@H]1CN(C(=O)c2ccc(C#N)c(Cl)n2)C[C@H]1[NH+]1CCOCC1 ZINC000367400810 154106834 /nfs/dbraw/zinc/10/68/34/154106834.db2.gz XCCRTUVBWFDPCZ-BXUZGUMPSA-N 1 2 334.807 1.399 20 30 EDEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000408083268 158261480 /nfs/dbraw/zinc/26/14/80/158261480.db2.gz ISDZYKCAYZYQMG-WDEREUQCSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000408083268 158261482 /nfs/dbraw/zinc/26/14/82/158261482.db2.gz ISDZYKCAYZYQMG-WDEREUQCSA-N 1 2 327.837 1.925 20 30 EDEDLO N#Cc1cc(S(=O)(=O)N2CC[NH+](C3CC3)CC2)ccc1Cl ZINC000408112244 158269429 /nfs/dbraw/zinc/26/94/29/158269429.db2.gz KZOROINNDHGOQD-UHFFFAOYSA-N 1 2 325.821 1.680 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@]2(CCOC2)O1 ZINC000369707269 287187732 /nfs/dbraw/zinc/18/77/32/287187732.db2.gz RIJQKDHXWPNKAQ-QAPCUYQASA-N 1 2 335.448 1.599 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@]2(CCOC2)O1 ZINC000369707269 287187734 /nfs/dbraw/zinc/18/77/34/287187734.db2.gz RIJQKDHXWPNKAQ-QAPCUYQASA-N 1 2 335.448 1.599 20 30 EDEDLO Cc1cccn2cc(CC(=O)Nc3nc4n(c3C#N)CCS4)[nH+]c12 ZINC000078789163 287295475 /nfs/dbraw/zinc/29/54/75/287295475.db2.gz VIAGRLDMWVNCDF-UHFFFAOYSA-N 1 2 338.396 1.998 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000450223838 270013555 /nfs/dbraw/zinc/01/35/55/270013555.db2.gz QDCMHRAFAWQFLJ-UHFFFAOYSA-N 1 2 343.387 1.211 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000491496818 270014533 /nfs/dbraw/zinc/01/45/33/270014533.db2.gz TWYOURKMZGLHCD-IBGZPJMESA-N 1 2 338.411 1.570 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000491496818 270014534 /nfs/dbraw/zinc/01/45/34/270014534.db2.gz TWYOURKMZGLHCD-IBGZPJMESA-N 1 2 338.411 1.570 20 30 EDEDLO COc1cc[nH+]c(CN2CCN(c3c(C#N)c(C)nn3C)CC2)c1 ZINC000530465982 270015750 /nfs/dbraw/zinc/01/57/50/270015750.db2.gz WSZBJETWASZWCA-UHFFFAOYSA-N 1 2 326.404 1.326 20 30 EDEDLO CC[N@H+]([C@@H]1CCNC1=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000282421307 266140614 /nfs/dbraw/zinc/14/06/14/266140614.db2.gz QUTFAMLVJKMCIK-CVEARBPZSA-N 1 2 326.400 1.264 20 30 EDEDLO CC[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000282421307 266140616 /nfs/dbraw/zinc/14/06/16/266140616.db2.gz QUTFAMLVJKMCIK-CVEARBPZSA-N 1 2 326.400 1.264 20 30 EDEDLO C[C@@H]1COCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277430000 267070230 /nfs/dbraw/zinc/07/02/30/267070230.db2.gz JMQFHUGWAZFDGC-CRAIPNDOSA-N 1 2 342.443 1.810 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284924441 267140661 /nfs/dbraw/zinc/14/06/61/267140661.db2.gz VWMWVEPMZLNCSD-COXVUDFISA-N 1 2 328.416 1.290 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000284924441 267140665 /nfs/dbraw/zinc/14/06/65/267140665.db2.gz VWMWVEPMZLNCSD-COXVUDFISA-N 1 2 328.416 1.290 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284924441 267140667 /nfs/dbraw/zinc/14/06/67/267140667.db2.gz VWMWVEPMZLNCSD-COXVUDFISA-N 1 2 328.416 1.290 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284924441 267140669 /nfs/dbraw/zinc/14/06/69/267140669.db2.gz VWMWVEPMZLNCSD-COXVUDFISA-N 1 2 328.416 1.290 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000291687700 267168908 /nfs/dbraw/zinc/16/89/08/267168908.db2.gz SDOIIUOZKXTWCD-HIFRSBDPSA-N 1 2 340.387 1.401 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2cccc(C#N)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000427795322 267203809 /nfs/dbraw/zinc/20/38/09/267203809.db2.gz YWSGPSTXERSXEO-WBVHZDCISA-N 1 2 349.456 1.290 20 30 EDEDLO COC(=O)C1([N@H+](C)CC(=O)NCc2cccc(C#N)c2)CCCC1 ZINC000432032406 267356445 /nfs/dbraw/zinc/35/64/45/267356445.db2.gz MGGSEXUQXOACRU-UHFFFAOYSA-N 1 2 329.400 1.592 20 30 EDEDLO COC(=O)C1([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)CCCC1 ZINC000432032406 267356446 /nfs/dbraw/zinc/35/64/46/267356446.db2.gz MGGSEXUQXOACRU-UHFFFAOYSA-N 1 2 329.400 1.592 20 30 EDEDLO COC(=O)[C@H]1CSCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000412061103 267389904 /nfs/dbraw/zinc/38/99/04/267389904.db2.gz AKDHAYMOFADBOC-CYBMUJFWSA-N 1 2 333.413 1.335 20 30 EDEDLO COC(=O)[C@H]1CSCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000412061103 267389907 /nfs/dbraw/zinc/38/99/07/267389907.db2.gz AKDHAYMOFADBOC-CYBMUJFWSA-N 1 2 333.413 1.335 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000288373047 268077796 /nfs/dbraw/zinc/07/77/96/268077796.db2.gz OIHKERVZBPJOQY-QGZVFWFLSA-N 1 2 349.456 1.185 20 30 EDEDLO N#Cc1ccc(N2CC[C@H](C(=O)NCCn3cc[nH+]c3)C2)c(F)c1 ZINC000286053857 268126338 /nfs/dbraw/zinc/12/63/38/268126338.db2.gz OURDTCUFOYCVLJ-AWEZNQCLSA-N 1 2 327.363 1.537 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c(C#N)c1C ZINC000274821626 268214557 /nfs/dbraw/zinc/21/45/57/268214557.db2.gz BGCYXFWPOSWHHG-UHFFFAOYSA-N 1 2 343.412 1.317 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CCc3n[nH]c(=O)cc3C2)c(C#N)c1C ZINC000274821626 268214558 /nfs/dbraw/zinc/21/45/58/268214558.db2.gz BGCYXFWPOSWHHG-UHFFFAOYSA-N 1 2 343.412 1.317 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccncc2OCC(F)F)C(N)=O)cc1 ZINC000442122933 268263682 /nfs/dbraw/zinc/26/36/82/268263682.db2.gz GDXLIGYTRYJRPT-INIZCTEOSA-N 1 2 346.337 1.913 20 30 EDEDLO CN1CC[C@H]([NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)C1=O ZINC000116274864 277163847 /nfs/dbraw/zinc/16/38/47/277163847.db2.gz MHXCQIVUFTWFIM-KRWDZBQOSA-N 1 2 335.411 1.459 20 30 EDEDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000188315735 288147419 /nfs/dbraw/zinc/14/74/19/288147419.db2.gz UXGHQEGAQFPAMV-CYBMUJFWSA-N 1 2 337.445 1.024 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(C#N)cc1 ZINC000188315735 288147421 /nfs/dbraw/zinc/14/74/21/288147421.db2.gz UXGHQEGAQFPAMV-CYBMUJFWSA-N 1 2 337.445 1.024 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000367982874 294418025 /nfs/dbraw/zinc/41/80/25/294418025.db2.gz LZWNAPZHXFXCMY-AWEZNQCLSA-N 1 2 345.428 1.298 20 30 EDEDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000427007030 295283330 /nfs/dbraw/zinc/28/33/30/295283330.db2.gz GCSPHTCEZJDTBZ-AWEZNQCLSA-N 1 2 346.374 1.810 20 30 EDEDLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000427007030 295283331 /nfs/dbraw/zinc/28/33/31/295283331.db2.gz GCSPHTCEZJDTBZ-AWEZNQCLSA-N 1 2 346.374 1.810 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000425795928 447306946 /nfs/dbraw/zinc/30/69/46/447306946.db2.gz MANOZUCJQLLFDD-BBRMVZONSA-N 1 2 340.383 1.518 20 30 EDEDLO COc1cc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)ccc1OCC#N ZINC000493396913 447318160 /nfs/dbraw/zinc/31/81/60/447318160.db2.gz GLXTZMNZJPTMMA-XOWYPZSQSA-N 1 2 342.399 1.571 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000363265237 303197225 /nfs/dbraw/zinc/19/72/25/303197225.db2.gz ZOWWSQSEDUNYCP-INIZCTEOSA-N 1 2 349.456 1.434 20 30 EDEDLO Cc1cnn([C@@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)c1 ZINC000377765843 447343785 /nfs/dbraw/zinc/34/37/85/447343785.db2.gz VGOJMYOINLUAKJ-MRXNPFEDSA-N 1 2 344.440 1.784 20 30 EDEDLO Cc1cnn([C@@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)c1 ZINC000377765843 447343790 /nfs/dbraw/zinc/34/37/90/447343790.db2.gz VGOJMYOINLUAKJ-MRXNPFEDSA-N 1 2 344.440 1.784 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000449008106 447358906 /nfs/dbraw/zinc/35/89/06/447358906.db2.gz HGEBRHGUVNMMID-AWEZNQCLSA-N 1 2 337.414 1.988 20 30 EDEDLO Cc1cc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C)c[nH+]1 ZINC000536621217 306024057 /nfs/dbraw/zinc/02/40/57/306024057.db2.gz PQKBVXRBPQOQBD-UHFFFAOYSA-N 1 2 336.399 1.741 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)[C@@H]1COC[C@H]1O ZINC000552144235 306175959 /nfs/dbraw/zinc/17/59/59/306175959.db2.gz GGQFSBZVCVREHL-OASPWFOLSA-N 1 2 335.429 1.127 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000552144235 306175960 /nfs/dbraw/zinc/17/59/60/306175960.db2.gz GGQFSBZVCVREHL-OASPWFOLSA-N 1 2 335.429 1.127 20 30 EDEDLO C=CCc1cc(C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)cc(OC)c1O ZINC000378337902 447418923 /nfs/dbraw/zinc/41/89/23/447418923.db2.gz BQPQWYLJLFZSFL-GJZGRUSLSA-N 1 2 335.400 1.892 20 30 EDEDLO C=CCc1cc(C[N@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)cc(OC)c1O ZINC000378337902 447418929 /nfs/dbraw/zinc/41/89/29/447418929.db2.gz BQPQWYLJLFZSFL-GJZGRUSLSA-N 1 2 335.400 1.892 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000450172819 447431639 /nfs/dbraw/zinc/43/16/39/447431639.db2.gz NBXUGMPHQXYHBC-UHFFFAOYSA-N 1 2 325.372 1.987 20 30 EDEDLO N#CC1CC[NH+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000057879603 441140133 /nfs/dbraw/zinc/14/01/33/441140133.db2.gz TZZUIMFSBNVQST-UHFFFAOYSA-N 1 2 326.400 1.987 20 30 EDEDLO N#Cc1ncn(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000014144275 441174503 /nfs/dbraw/zinc/17/45/03/441174503.db2.gz VRPRZYSAHCAAHA-QPJJXVBHSA-N 1 2 336.399 1.007 20 30 EDEDLO N#CCCN(CCOc1cccc(C#N)c1)CC[NH+]1CCOCC1 ZINC000081158370 441236993 /nfs/dbraw/zinc/23/69/93/441236993.db2.gz UELIVJCUAGKVNT-UHFFFAOYSA-N 1 2 328.416 1.485 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@H+](C)C2CCCC2)cc1C#N ZINC000104927954 441221823 /nfs/dbraw/zinc/22/18/23/441221823.db2.gz UQGLBYZTTRWASE-UHFFFAOYSA-N 1 2 334.445 1.573 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCC[N@@H+](C)C2CCCC2)cc1C#N ZINC000104927954 441221825 /nfs/dbraw/zinc/22/18/25/441221825.db2.gz UQGLBYZTTRWASE-UHFFFAOYSA-N 1 2 334.445 1.573 20 30 EDEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108647 441294679 /nfs/dbraw/zinc/29/46/79/441294679.db2.gz BLXKVPIJGSNNFA-HZPDHXFCSA-N 1 2 341.459 1.865 20 30 EDEDLO Cc1nc(CN2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)cs1 ZINC000073368612 441312806 /nfs/dbraw/zinc/31/28/06/441312806.db2.gz ULCZFKAKVUMDHM-CYBMUJFWSA-N 1 2 335.477 1.330 20 30 EDEDLO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000050998232 441395309 /nfs/dbraw/zinc/39/53/09/441395309.db2.gz CPFMHDMUDBCEAR-ZDUSSCGKSA-N 1 2 334.445 1.796 20 30 EDEDLO CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000050998232 441395313 /nfs/dbraw/zinc/39/53/13/441395313.db2.gz CPFMHDMUDBCEAR-ZDUSSCGKSA-N 1 2 334.445 1.796 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2c(F)cccc2N2CCCC2)CC1 ZINC000085277164 441432113 /nfs/dbraw/zinc/43/21/13/441432113.db2.gz KTEGDPHIFHSRRY-UHFFFAOYSA-N 1 2 344.434 1.615 20 30 EDEDLO C#CCN(Cc1ccc(F)cc1)C(=S)NCC[NH+]1CCOCC1 ZINC000065704797 441477534 /nfs/dbraw/zinc/47/75/34/441477534.db2.gz AKDPIJCBLAYRKB-UHFFFAOYSA-N 1 2 335.448 1.468 20 30 EDEDLO C#CC[N@@H+](CCOc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000108866010 441477910 /nfs/dbraw/zinc/47/79/10/441477910.db2.gz MWFOZVNPDHZAPN-HNNXBMFYSA-N 1 2 337.441 1.586 20 30 EDEDLO C#CC[N@H+](CCOc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000108866010 441477913 /nfs/dbraw/zinc/47/79/13/441477913.db2.gz MWFOZVNPDHZAPN-HNNXBMFYSA-N 1 2 337.441 1.586 20 30 EDEDLO CCN(CCC#N)C(=O)CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000065544813 441456131 /nfs/dbraw/zinc/45/61/31/441456131.db2.gz KGBCPAATYYWVNI-UHFFFAOYSA-N 1 2 333.436 1.171 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029445084 441459682 /nfs/dbraw/zinc/45/96/82/441459682.db2.gz AMWMJYJHABBMHL-AWEZNQCLSA-N 1 2 327.432 1.523 20 30 EDEDLO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)c1C ZINC000052659668 441466822 /nfs/dbraw/zinc/46/68/22/441466822.db2.gz UAFQYMHMRJYWDH-HNNXBMFYSA-N 1 2 330.432 1.934 20 30 EDEDLO Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)c1C ZINC000052659668 441466825 /nfs/dbraw/zinc/46/68/25/441466825.db2.gz UAFQYMHMRJYWDH-HNNXBMFYSA-N 1 2 330.432 1.934 20 30 EDEDLO CN(CC1CC1)C(=O)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000052640964 441467055 /nfs/dbraw/zinc/46/70/55/441467055.db2.gz HCYMXLJPWZVUIK-UHFFFAOYSA-N 1 2 330.407 1.688 20 30 EDEDLO COCC[N@H+](CCOc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000066493155 441539049 /nfs/dbraw/zinc/53/90/49/441539049.db2.gz PKICYIUVPDRTRM-HNNXBMFYSA-N 1 2 338.429 1.073 20 30 EDEDLO COCC[N@@H+](CCOc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000066493155 441539054 /nfs/dbraw/zinc/53/90/54/441539054.db2.gz PKICYIUVPDRTRM-HNNXBMFYSA-N 1 2 338.429 1.073 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000032830877 441575208 /nfs/dbraw/zinc/57/52/08/441575208.db2.gz UCCVBRRFROCWRO-KXBFYZLASA-N 1 2 344.459 1.957 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2coc3ccccc23)CC1 ZINC000113173018 441584621 /nfs/dbraw/zinc/58/46/21/441584621.db2.gz NXICEKLTBXPXAC-UHFFFAOYSA-N 1 2 339.395 1.330 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2coc3ccccc23)CC1 ZINC000113173018 441584627 /nfs/dbraw/zinc/58/46/27/441584627.db2.gz NXICEKLTBXPXAC-UHFFFAOYSA-N 1 2 339.395 1.330 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000114465946 441660879 /nfs/dbraw/zinc/66/08/79/441660879.db2.gz QKKCHGLGHMWQQO-CQSZACIVSA-N 1 2 335.452 1.309 20 30 EDEDLO N#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cn1 ZINC000115007616 441708413 /nfs/dbraw/zinc/70/84/13/441708413.db2.gz AWIPVJIGDHTIRE-UHFFFAOYSA-N 1 2 336.395 1.790 20 30 EDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000091897434 441750103 /nfs/dbraw/zinc/75/01/03/441750103.db2.gz GRNPALXSSVXPRI-HNNXBMFYSA-N 1 2 347.444 1.108 20 30 EDEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000091897434 441750109 /nfs/dbraw/zinc/75/01/09/441750109.db2.gz GRNPALXSSVXPRI-HNNXBMFYSA-N 1 2 347.444 1.108 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(Cc2cscn2)CC1 ZINC000068333750 441777383 /nfs/dbraw/zinc/77/73/83/441777383.db2.gz BJNSGVSBWNKSBD-CQSZACIVSA-N 1 2 335.477 1.269 20 30 EDEDLO CN1CC[C@@H](O[NH+]=C(N)c2cccc(OCc3cccnc3)c2)C1=O ZINC000116267767 441806538 /nfs/dbraw/zinc/80/65/38/441806538.db2.gz FKVWPUVJKQJICK-MRXNPFEDSA-N 1 2 340.383 1.528 20 30 EDEDLO C[N@H+](CCN1CCOCC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173643406 441813430 /nfs/dbraw/zinc/81/34/30/441813430.db2.gz XBKAFCQRBIPLCK-UHFFFAOYSA-N 1 2 327.388 1.372 20 30 EDEDLO C[N@@H+](CCN1CCOCC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173643406 441813436 /nfs/dbraw/zinc/81/34/36/441813436.db2.gz XBKAFCQRBIPLCK-UHFFFAOYSA-N 1 2 327.388 1.372 20 30 EDEDLO CN(CC[NH+]1CCOCC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173643406 441813441 /nfs/dbraw/zinc/81/34/41/441813441.db2.gz XBKAFCQRBIPLCK-UHFFFAOYSA-N 1 2 327.388 1.372 20 30 EDEDLO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000125201617 441996412 /nfs/dbraw/zinc/99/64/12/441996412.db2.gz DWNFGXAKGPCSKW-UHFFFAOYSA-N 1 2 330.325 1.613 20 30 EDEDLO CCc1nc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cs1 ZINC000162518641 442099740 /nfs/dbraw/zinc/09/97/40/442099740.db2.gz HREMKXQXEREEPC-UHFFFAOYSA-N 1 2 336.461 1.322 20 30 EDEDLO N#CC1(NC(=O)C[NH+]2CCN(c3cccc(O)c3)CC2)CCCCC1 ZINC000121051131 442170650 /nfs/dbraw/zinc/17/06/50/442170650.db2.gz GNSHYSUMYUDKFB-UHFFFAOYSA-N 1 2 342.443 1.857 20 30 EDEDLO C=CC[N@@H+](C[C@@H](O)COCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000121175586 442187784 /nfs/dbraw/zinc/18/77/84/442187784.db2.gz QWQJVTJJZLIFGV-ZIAGYGMSSA-N 1 2 345.486 1.301 20 30 EDEDLO C=CC[N@H+](C[C@@H](O)COCc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000121175586 442187786 /nfs/dbraw/zinc/18/77/86/442187786.db2.gz QWQJVTJJZLIFGV-ZIAGYGMSSA-N 1 2 345.486 1.301 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CC1(C#N)CC1)c1ccc(F)cc1 ZINC000164441403 442197009 /nfs/dbraw/zinc/19/70/09/442197009.db2.gz QCOZCVHQMLTVCZ-CQSZACIVSA-N 1 2 348.403 1.872 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)CCN1CC(F)F ZINC000153484234 442285343 /nfs/dbraw/zinc/28/53/43/442285343.db2.gz QEGZDSKCUCYVFO-KBPBESRZSA-N 1 2 330.423 1.656 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)CCN1CC(F)F ZINC000153484234 442285344 /nfs/dbraw/zinc/28/53/44/442285344.db2.gz QEGZDSKCUCYVFO-KBPBESRZSA-N 1 2 330.423 1.656 20 30 EDEDLO CC[C@@H](C#N)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000171005180 442298048 /nfs/dbraw/zinc/29/80/48/442298048.db2.gz WRKNAQDFRIBDOF-AWEZNQCLSA-N 1 2 325.372 1.944 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)[nH]1 ZINC000153035145 442257778 /nfs/dbraw/zinc/25/77/78/442257778.db2.gz YPYCQXZRQJTNCB-UHFFFAOYSA-N 1 2 334.383 1.492 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(-n2cccn2)c1 ZINC000154748996 442354682 /nfs/dbraw/zinc/35/46/82/442354682.db2.gz OXGVLEBOPRHLGB-UHFFFAOYSA-N 1 2 339.443 1.920 20 30 EDEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1cccc(-n2cccn2)c1 ZINC000154748996 442354685 /nfs/dbraw/zinc/35/46/85/442354685.db2.gz OXGVLEBOPRHLGB-UHFFFAOYSA-N 1 2 339.443 1.920 20 30 EDEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1cccc(-n2cccn2)c1 ZINC000154748996 442354687 /nfs/dbraw/zinc/35/46/87/442354687.db2.gz OXGVLEBOPRHLGB-UHFFFAOYSA-N 1 2 339.443 1.920 20 30 EDEDLO N#CCC[C@@H](C#N)CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000171439686 442348379 /nfs/dbraw/zinc/34/83/79/442348379.db2.gz CCVWGFVIOBIGKY-INIZCTEOSA-N 1 2 331.464 1.496 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000154926419 442364630 /nfs/dbraw/zinc/36/46/30/442364630.db2.gz QNORCQPAQNAPER-OAHLLOKOSA-N 1 2 340.427 1.327 20 30 EDEDLO CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000179711091 442492276 /nfs/dbraw/zinc/49/22/76/442492276.db2.gz ZLEOTWZOQMOLQI-GOSISDBHSA-N 1 2 331.416 1.706 20 30 EDEDLO CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000179711091 442492279 /nfs/dbraw/zinc/49/22/79/442492279.db2.gz ZLEOTWZOQMOLQI-GOSISDBHSA-N 1 2 331.416 1.706 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CCN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000178999412 442549126 /nfs/dbraw/zinc/54/91/26/442549126.db2.gz COXWSQCDBRWFHC-UHFFFAOYSA-N 1 2 333.457 1.502 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CCN2CCC[N@H+](C3CC3)CC2)c1 ZINC000178999412 442549132 /nfs/dbraw/zinc/54/91/32/442549132.db2.gz COXWSQCDBRWFHC-UHFFFAOYSA-N 1 2 333.457 1.502 20 30 EDEDLO C#CC[N@@H+](C)CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000192232071 442619163 /nfs/dbraw/zinc/61/91/63/442619163.db2.gz ZIAABABACQMGON-INIZCTEOSA-N 1 2 327.384 1.423 20 30 EDEDLO C#CC[N@H+](C)CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000192232071 442619166 /nfs/dbraw/zinc/61/91/66/442619166.db2.gz ZIAABABACQMGON-INIZCTEOSA-N 1 2 327.384 1.423 20 30 EDEDLO C#CC[N@@H+](C)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000192232071 442619167 /nfs/dbraw/zinc/61/91/67/442619167.db2.gz ZIAABABACQMGON-INIZCTEOSA-N 1 2 327.384 1.423 20 30 EDEDLO C#CC[N@H+](C)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000192232071 442619168 /nfs/dbraw/zinc/61/91/68/442619168.db2.gz ZIAABABACQMGON-INIZCTEOSA-N 1 2 327.384 1.423 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cccn2Cc2ccccc2C#N)C[C@H](C(N)=O)O1 ZINC000187464176 442677950 /nfs/dbraw/zinc/67/79/50/442677950.db2.gz UERPPMUVYSRLBP-RDTXWAMCSA-N 1 2 338.411 1.483 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cccn2Cc2ccccc2C#N)C[C@H](C(N)=O)O1 ZINC000187464176 442677953 /nfs/dbraw/zinc/67/79/53/442677953.db2.gz UERPPMUVYSRLBP-RDTXWAMCSA-N 1 2 338.411 1.483 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000181419540 442696174 /nfs/dbraw/zinc/69/61/74/442696174.db2.gz QKSKBOIWUOEDLF-CABCVRRESA-N 1 2 336.480 1.726 20 30 EDEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000187351722 442671349 /nfs/dbraw/zinc/67/13/49/442671349.db2.gz FILLDEFJRFRMPH-GOSISDBHSA-N 1 2 331.416 1.936 20 30 EDEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000187351722 442671351 /nfs/dbraw/zinc/67/13/51/442671351.db2.gz FILLDEFJRFRMPH-GOSISDBHSA-N 1 2 331.416 1.936 20 30 EDEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246685636 442801805 /nfs/dbraw/zinc/80/18/05/442801805.db2.gz HKIWBLRTXXRYFW-DZGCQCFKSA-N 1 2 340.445 1.053 20 30 EDEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246685636 442801807 /nfs/dbraw/zinc/80/18/07/442801807.db2.gz HKIWBLRTXXRYFW-DZGCQCFKSA-N 1 2 340.445 1.053 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC(=O)N1CCCC[C@@H]1C ZINC000246748154 442810036 /nfs/dbraw/zinc/81/00/36/442810036.db2.gz BGWUHQDYHIEAKR-LSDHHAIUSA-N 1 2 342.447 1.260 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CC(=O)N1CCCC[C@@H]1C ZINC000246748154 442810039 /nfs/dbraw/zinc/81/00/39/442810039.db2.gz BGWUHQDYHIEAKR-LSDHHAIUSA-N 1 2 342.447 1.260 20 30 EDEDLO Cc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)nn1C(C)(C)C ZINC000195167046 442991368 /nfs/dbraw/zinc/99/13/68/442991368.db2.gz IGIOKFKVUUHESJ-UHFFFAOYSA-N 1 2 347.463 1.635 20 30 EDEDLO N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000184277722 443008082 /nfs/dbraw/zinc/00/80/82/443008082.db2.gz GRQFFSNGZIUWIR-GFCCVEGCSA-N 1 2 333.355 1.537 20 30 EDEDLO C=CCNC(=O)CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000184287069 443009115 /nfs/dbraw/zinc/00/91/15/443009115.db2.gz PJLHFNVMIDXBCG-CYBMUJFWSA-N 1 2 336.461 1.439 20 30 EDEDLO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1nnnn1-c1ccccc1 ZINC000184832333 443083409 /nfs/dbraw/zinc/08/34/09/443083409.db2.gz YBEMZYJODWXGSY-CYBMUJFWSA-N 1 2 347.382 1.823 20 30 EDEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]c(=O)n1 ZINC000268850977 443127315 /nfs/dbraw/zinc/12/73/15/443127315.db2.gz NPRCCTOCNILWGZ-UHFFFAOYSA-N 1 2 337.383 1.320 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000185399979 443193925 /nfs/dbraw/zinc/19/39/25/443193925.db2.gz OQUTXHLKGTVAIO-LBPRGKRZSA-N 1 2 343.387 1.323 20 30 EDEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2cccc(Br)c2)C1 ZINC000245463986 443230600 /nfs/dbraw/zinc/23/06/00/443230600.db2.gz PDMVJWNRIOYCRO-CHWSQXEVSA-N 1 2 338.205 1.461 20 30 EDEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2cccc(Br)c2)C1 ZINC000245463986 443230602 /nfs/dbraw/zinc/23/06/02/443230602.db2.gz PDMVJWNRIOYCRO-CHWSQXEVSA-N 1 2 338.205 1.461 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000191163324 443251205 /nfs/dbraw/zinc/25/12/05/443251205.db2.gz BTJUIIZIVORORW-KMFMINBZSA-N 1 2 327.384 1.770 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000191163324 443251209 /nfs/dbraw/zinc/25/12/09/443251209.db2.gz BTJUIIZIVORORW-KMFMINBZSA-N 1 2 327.384 1.770 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC(NC(=O)C2CCC2)C1 ZINC000185936874 443287006 /nfs/dbraw/zinc/28/70/06/443287006.db2.gz VXKMPJGCWJBPMO-SFHVURJKSA-N 1 2 344.455 1.755 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000246120240 443269694 /nfs/dbraw/zinc/26/96/94/443269694.db2.gz QOIIKLZYFALYHY-HZPDHXFCSA-N 1 2 336.480 1.178 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000246120240 443269699 /nfs/dbraw/zinc/26/96/99/443269699.db2.gz QOIIKLZYFALYHY-HZPDHXFCSA-N 1 2 336.480 1.178 20 30 EDEDLO COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1C#N ZINC000282397352 443327573 /nfs/dbraw/zinc/32/75/73/443327573.db2.gz RKSALIPYTCJGPC-INIZCTEOSA-N 1 2 329.400 1.390 20 30 EDEDLO NC(=[NH+]OC[C@@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000278587465 443369877 /nfs/dbraw/zinc/36/98/77/443369877.db2.gz GQBAAVNVZFJXKO-VIFPVBQESA-N 1 2 336.335 1.777 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1O ZINC000270939226 443484482 /nfs/dbraw/zinc/48/44/82/443484482.db2.gz RFNQDFYTNNOAGK-ZLDLUXBVSA-N 1 2 340.383 1.214 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@@H]1O ZINC000270939226 443484485 /nfs/dbraw/zinc/48/44/85/443484485.db2.gz RFNQDFYTNNOAGK-ZLDLUXBVSA-N 1 2 340.383 1.214 20 30 EDEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000271079522 443489767 /nfs/dbraw/zinc/48/97/67/443489767.db2.gz YAZGDCLUUOTGOZ-UHFFFAOYSA-N 1 2 328.384 1.685 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000282996818 443491371 /nfs/dbraw/zinc/49/13/71/443491371.db2.gz NMUZMPSWZKAKOC-CYBMUJFWSA-N 1 2 333.417 1.441 20 30 EDEDLO Cn1cc2c(n1)CCC[C@@H]2NC(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000282877930 443457782 /nfs/dbraw/zinc/45/77/82/443457782.db2.gz WNNRNECIUCYKIT-AWEZNQCLSA-N 1 2 330.436 1.427 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NCC[N@@H+](C)CC)cc2[nH]c1=S ZINC000264869347 443460126 /nfs/dbraw/zinc/46/01/26/443460126.db2.gz GMMBAXUMVRGOBA-UHFFFAOYSA-N 1 2 346.456 1.553 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NCC[N@H+](C)CC)cc2[nH]c1=S ZINC000264869347 443460131 /nfs/dbraw/zinc/46/01/31/443460131.db2.gz GMMBAXUMVRGOBA-UHFFFAOYSA-N 1 2 346.456 1.553 20 30 EDEDLO N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267558241 443497375 /nfs/dbraw/zinc/49/73/75/443497375.db2.gz MIQWLJZPEVYIKI-UHFFFAOYSA-N 1 2 341.346 1.765 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+]([C@H](Cc2ccccc2)C(N)=O)CC1 ZINC000273192802 443558923 /nfs/dbraw/zinc/55/89/23/443558923.db2.gz JNXOHIQNNPAIPU-QGZVFWFLSA-N 1 2 335.411 1.172 20 30 EDEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000272244959 443566768 /nfs/dbraw/zinc/56/67/68/443566768.db2.gz HGLPYQXTNWTUPL-INIZCTEOSA-N 1 2 347.459 1.827 20 30 EDEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000272244959 443566772 /nfs/dbraw/zinc/56/67/72/443566772.db2.gz HGLPYQXTNWTUPL-INIZCTEOSA-N 1 2 347.459 1.827 20 30 EDEDLO COc1ccc(OC)c(C[NH+]2CCN(C(=O)NCCCC#N)CC2)c1 ZINC000273613382 443583055 /nfs/dbraw/zinc/58/30/55/443583055.db2.gz UMJOKLJQGOTXQW-UHFFFAOYSA-N 1 2 346.431 1.835 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)OCCOC)n2CC(=C)C)CC1 ZINC000283397852 443622250 /nfs/dbraw/zinc/62/22/50/443622250.db2.gz WJEXNBORKCSYNM-MRXNPFEDSA-N 1 2 347.463 1.333 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)CCN1C ZINC000279844308 443631213 /nfs/dbraw/zinc/63/12/13/443631213.db2.gz ARXKZCZSEJORLR-MRXNPFEDSA-N 1 2 338.415 1.219 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000275760179 443641419 /nfs/dbraw/zinc/64/14/19/443641419.db2.gz ZSNASYSASSPLRW-LBPRGKRZSA-N 1 2 325.372 1.644 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C)CC1 ZINC000283372797 443615926 /nfs/dbraw/zinc/61/59/26/443615926.db2.gz CMTNTCMSMMYOTQ-UHFFFAOYSA-N 1 2 325.416 1.192 20 30 EDEDLO Cc1nsc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1C#N ZINC000283482059 443644107 /nfs/dbraw/zinc/64/41/07/443644107.db2.gz HDOWJBHYONVYOJ-UHFFFAOYSA-N 1 2 333.461 1.458 20 30 EDEDLO Cc1nsc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1C#N ZINC000283482059 443644109 /nfs/dbraw/zinc/64/41/09/443644109.db2.gz HDOWJBHYONVYOJ-UHFFFAOYSA-N 1 2 333.461 1.458 20 30 EDEDLO C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000276059066 443650545 /nfs/dbraw/zinc/65/05/45/443650545.db2.gz RKOZDMXXKJLDAS-KBPBESRZSA-N 1 2 344.415 1.437 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C1(C#N)CCCC1 ZINC000280213294 443675632 /nfs/dbraw/zinc/67/56/32/443675632.db2.gz GDQODUUSYIJAOT-KBPBESRZSA-N 1 2 333.411 1.533 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000280370017 443704591 /nfs/dbraw/zinc/70/45/91/443704591.db2.gz WAUGVCBBIBGAII-CKEIUWERSA-N 1 2 345.447 1.073 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000280370017 443704594 /nfs/dbraw/zinc/70/45/94/443704594.db2.gz WAUGVCBBIBGAII-CKEIUWERSA-N 1 2 345.447 1.073 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000276468218 443716310 /nfs/dbraw/zinc/71/63/10/443716310.db2.gz PGLMYHMSGIIRHH-UHFFFAOYSA-N 1 2 344.415 1.065 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000286890287 443729365 /nfs/dbraw/zinc/72/93/65/443729365.db2.gz XJNLCGMFTUUTJA-INIZCTEOSA-N 1 2 331.391 1.880 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000286890287 443729367 /nfs/dbraw/zinc/72/93/67/443729367.db2.gz XJNLCGMFTUUTJA-INIZCTEOSA-N 1 2 331.391 1.880 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000287256348 443739251 /nfs/dbraw/zinc/73/92/51/443739251.db2.gz JZJIATMBZBZDBP-WMZOPIPTSA-N 1 2 338.411 1.208 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000287256348 443739255 /nfs/dbraw/zinc/73/92/55/443739255.db2.gz JZJIATMBZBZDBP-WMZOPIPTSA-N 1 2 338.411 1.208 20 30 EDEDLO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)nn1CCC#N ZINC000287271417 443739769 /nfs/dbraw/zinc/73/97/69/443739769.db2.gz YLEPWRYGEUXUJQ-ZFWWWQNUSA-N 1 2 346.435 1.432 20 30 EDEDLO C[N@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292272573 443787814 /nfs/dbraw/zinc/78/78/14/443787814.db2.gz SHBKHKXPTRRJEZ-CQSZACIVSA-N 1 2 332.429 1.277 20 30 EDEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292272573 443787816 /nfs/dbraw/zinc/78/78/16/443787816.db2.gz SHBKHKXPTRRJEZ-CQSZACIVSA-N 1 2 332.429 1.277 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000284896815 443792585 /nfs/dbraw/zinc/79/25/85/443792585.db2.gz AIHJLGWQQXINPB-WDSOQIARSA-N 1 2 332.444 1.844 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284896815 443792591 /nfs/dbraw/zinc/79/25/91/443792591.db2.gz AIHJLGWQQXINPB-WDSOQIARSA-N 1 2 332.444 1.844 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3cncc4ncnn43)CC2)c1 ZINC000276567947 443749605 /nfs/dbraw/zinc/74/96/05/443749605.db2.gz SWBZJHAXYBEGQI-UHFFFAOYSA-N 1 2 337.362 1.457 20 30 EDEDLO CN(CCOc1ccccc1F)C(=O)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000284098325 443765097 /nfs/dbraw/zinc/76/50/97/443765097.db2.gz LCNGNXHIXSENCC-CQSZACIVSA-N 1 2 339.367 1.131 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000280929154 443776757 /nfs/dbraw/zinc/77/67/57/443776757.db2.gz IGUXICSHZBBSEI-INMHGKMJSA-N 1 2 330.432 1.941 20 30 EDEDLO CO/N=C/c1ccc(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000276826673 443842244 /nfs/dbraw/zinc/84/22/44/443842244.db2.gz XUJAYCIQHJTWTI-DDLUMYACSA-N 1 2 341.415 1.529 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)C1=O ZINC000281360850 443890318 /nfs/dbraw/zinc/89/03/18/443890318.db2.gz NUEUTEJHLRGPBO-KBPBESRZSA-N 1 2 344.440 1.444 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3sccc3C#N)C2=O)C1=O ZINC000281360850 443890320 /nfs/dbraw/zinc/89/03/20/443890320.db2.gz NUEUTEJHLRGPBO-KBPBESRZSA-N 1 2 344.440 1.444 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3ccc(C)cc3)C2=O)C1=O ZINC000281381882 443895832 /nfs/dbraw/zinc/89/58/32/443895832.db2.gz PBYPXVAOLOKWTB-SJORKVTESA-N 1 2 327.428 1.819 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3ccc(C)cc3)C2=O)C1=O ZINC000281381882 443895836 /nfs/dbraw/zinc/89/58/36/443895836.db2.gz PBYPXVAOLOKWTB-SJORKVTESA-N 1 2 327.428 1.819 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3ccccc3OC)C2=O)C1=O ZINC000281228829 443853166 /nfs/dbraw/zinc/85/31/66/443853166.db2.gz FGMXCFSZBYHPFW-HOTGVXAUSA-N 1 2 343.427 1.519 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3ccccc3OC)C2=O)C1=O ZINC000281228829 443853167 /nfs/dbraw/zinc/85/31/67/443853167.db2.gz FGMXCFSZBYHPFW-HOTGVXAUSA-N 1 2 343.427 1.519 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000281233245 443855056 /nfs/dbraw/zinc/85/50/56/443855056.db2.gz FOJQYVJXDMZRCE-DOMZBBRYSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000281233245 443855061 /nfs/dbraw/zinc/85/50/61/443855061.db2.gz FOJQYVJXDMZRCE-DOMZBBRYSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCCCNC(=O)C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000288498902 443899611 /nfs/dbraw/zinc/89/96/11/443899611.db2.gz DRGWDFUOBCPCBS-UHFFFAOYSA-N 1 2 332.326 1.486 20 30 EDEDLO Cn1cc[nH+]c1CNc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000288555573 443917670 /nfs/dbraw/zinc/91/76/70/443917670.db2.gz LWKWTGBLSCZYQK-XDJHFCHBSA-N 1 2 347.444 1.845 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2nc(-c3cccnc3)no2)C1=O ZINC000281489238 443924963 /nfs/dbraw/zinc/92/49/63/443924963.db2.gz XHEKQPHJPUZVAF-JSGCOSHPSA-N 1 2 327.388 1.911 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2nc(-c3cccnc3)no2)C1=O ZINC000281489238 443924965 /nfs/dbraw/zinc/92/49/65/443924965.db2.gz XHEKQPHJPUZVAF-JSGCOSHPSA-N 1 2 327.388 1.911 20 30 EDEDLO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+](C)C[C@H](C)C#N ZINC000299151970 443968269 /nfs/dbraw/zinc/96/82/69/443968269.db2.gz GEHAAYMVQNEYKX-VXGBXAGGSA-N 1 2 346.387 1.586 20 30 EDEDLO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+](C)C[C@H](C)C#N ZINC000299151970 443968272 /nfs/dbraw/zinc/96/82/72/443968272.db2.gz GEHAAYMVQNEYKX-VXGBXAGGSA-N 1 2 346.387 1.586 20 30 EDEDLO N#Cc1ccc(CN2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C2=O)cc1 ZINC000277832588 444048054 /nfs/dbraw/zinc/04/80/54/444048054.db2.gz MIPLQHRVLFRNPZ-MRXNPFEDSA-N 1 2 337.383 1.062 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281865156 444025850 /nfs/dbraw/zinc/02/58/50/444025850.db2.gz OKNNLZYZSFYJDU-NUJGCVRESA-N 1 2 333.407 1.988 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281865156 444025855 /nfs/dbraw/zinc/02/58/55/444025855.db2.gz OKNNLZYZSFYJDU-NUJGCVRESA-N 1 2 333.407 1.988 20 30 EDEDLO Cc1cc(S(=O)(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)ccc1C#N ZINC000277967805 444070810 /nfs/dbraw/zinc/07/08/10/444070810.db2.gz LFAFIYPXMYRFKL-YOEHRIQHSA-N 1 2 349.456 1.208 20 30 EDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000561911065 321044798 /nfs/dbraw/zinc/04/47/98/321044798.db2.gz MRTBWIQKCNWIJV-NNUHMIRASA-N 1 2 325.459 1.790 20 30 EDEDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000561911065 321044799 /nfs/dbraw/zinc/04/47/99/321044799.db2.gz MRTBWIQKCNWIJV-NNUHMIRASA-N 1 2 325.459 1.790 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ncnc4sccc43)CC2)C1=O ZINC000282124429 444092114 /nfs/dbraw/zinc/09/21/14/444092114.db2.gz YBUUSBUTPUSGOS-AWEZNQCLSA-N 1 2 343.456 1.600 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCOC2CCCC2)c1=O ZINC000565241925 321178568 /nfs/dbraw/zinc/17/85/68/321178568.db2.gz YVGVPQINMRGLOP-UHFFFAOYSA-N 1 2 331.416 1.511 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCO1 ZINC000570873041 321360892 /nfs/dbraw/zinc/36/08/92/321360892.db2.gz FDNAHNVYZDPULW-ZDUSSCGKSA-N 1 2 333.407 1.812 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CCO1 ZINC000570873041 321360893 /nfs/dbraw/zinc/36/08/93/321360893.db2.gz FDNAHNVYZDPULW-ZDUSSCGKSA-N 1 2 333.407 1.812 20 30 EDEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000572059145 321412728 /nfs/dbraw/zinc/41/27/28/321412728.db2.gz XOCRSCDTNQSXEF-AWEZNQCLSA-N 1 2 327.432 1.523 20 30 EDEDLO Cc1nc(N2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)cc[nH+]1 ZINC000294974753 444163203 /nfs/dbraw/zinc/16/32/03/444163203.db2.gz OMGIQSPXDNTHHV-SFHVURJKSA-N 1 2 325.416 1.908 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCOC[C@@H](O)C2)c1 ZINC000295506696 444187057 /nfs/dbraw/zinc/18/70/57/444187057.db2.gz HOPJXWOCRHXFNC-AEFFLSMTSA-N 1 2 345.443 1.632 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCOC[C@@H](O)C2)c1 ZINC000295506696 444187059 /nfs/dbraw/zinc/18/70/59/444187059.db2.gz HOPJXWOCRHXFNC-AEFFLSMTSA-N 1 2 345.443 1.632 20 30 EDEDLO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000330981491 444345553 /nfs/dbraw/zinc/34/55/53/444345553.db2.gz JUDZSIXDLXQHGR-UHFFFAOYSA-N 1 2 334.420 1.754 20 30 EDEDLO CCN1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330991318 444349391 /nfs/dbraw/zinc/34/93/91/444349391.db2.gz MXFGQXZXBWGLDD-IIDMSEBBSA-N 1 2 346.479 1.531 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCN(C3CC3)C(=O)C1)CCC2 ZINC000328783987 444351303 /nfs/dbraw/zinc/35/13/03/444351303.db2.gz JZZDDDVGBPFKAV-ZDUSSCGKSA-N 1 2 331.420 1.290 20 30 EDEDLO C[N@@H+]1CCc2nc(NC(=O)C[C@H]3CCCS(=O)(=O)C3)sc2C1 ZINC000328802808 444358918 /nfs/dbraw/zinc/35/89/18/444358918.db2.gz CIRYANIVPJOBST-SNVBAGLBSA-N 1 2 343.474 1.934 20 30 EDEDLO C[N@H+]1CCc2nc(NC(=O)C[C@H]3CCCS(=O)(=O)C3)sc2C1 ZINC000328802808 444358921 /nfs/dbraw/zinc/35/89/21/444358921.db2.gz CIRYANIVPJOBST-SNVBAGLBSA-N 1 2 343.474 1.934 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cncc(Br)c3)C[C@H]21 ZINC000328811094 444361432 /nfs/dbraw/zinc/36/14/32/444361432.db2.gz MSLSXXAAWVUTAQ-NEPJUHHUSA-N 1 2 341.209 1.404 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cncc(Br)c3)C[C@H]21 ZINC000328811094 444361436 /nfs/dbraw/zinc/36/14/36/444361436.db2.gz MSLSXXAAWVUTAQ-NEPJUHHUSA-N 1 2 341.209 1.404 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340211353 444371228 /nfs/dbraw/zinc/37/12/28/444371228.db2.gz VSOCCBPULILRAS-YUTCNCBUSA-N 1 2 335.370 1.819 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340211353 444371231 /nfs/dbraw/zinc/37/12/31/444371231.db2.gz VSOCCBPULILRAS-YUTCNCBUSA-N 1 2 335.370 1.819 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCc2ccoc2)cn1 ZINC000328630756 444403278 /nfs/dbraw/zinc/40/32/78/444403278.db2.gz JSKSBVSFWFEQKI-GJZGRUSLSA-N 1 2 335.383 1.629 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCc2ccoc2)cn1 ZINC000328630756 444403280 /nfs/dbraw/zinc/40/32/80/444403280.db2.gz JSKSBVSFWFEQKI-GJZGRUSLSA-N 1 2 335.383 1.629 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000340509908 444418298 /nfs/dbraw/zinc/41/82/98/444418298.db2.gz KHHAYANQNIRDFU-UHFFFAOYSA-N 1 2 330.432 1.591 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328664607 444420195 /nfs/dbraw/zinc/42/01/95/444420195.db2.gz BVZXLAHEUWNVOF-YLADIXGZSA-N 1 2 335.448 1.405 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000328664607 444420200 /nfs/dbraw/zinc/42/02/00/444420200.db2.gz BVZXLAHEUWNVOF-YLADIXGZSA-N 1 2 335.448 1.405 20 30 EDEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NC(=O)Nc1ccccc1 ZINC000328867864 444381018 /nfs/dbraw/zinc/38/10/18/444381018.db2.gz CIZDDEVYDRXVHZ-NSHDSACASA-N 1 2 331.332 1.265 20 30 EDEDLO O=C(C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)NC(=O)Nc1ccccc1 ZINC000328867864 444381023 /nfs/dbraw/zinc/38/10/23/444381023.db2.gz CIZDDEVYDRXVHZ-NSHDSACASA-N 1 2 331.332 1.265 20 30 EDEDLO Cc1ccc2c(c1)nc(CNC(=O)N1C[C@@H]3OCC[N@H+](C)[C@H]3C1)n2C ZINC000328677562 444425957 /nfs/dbraw/zinc/42/59/57/444425957.db2.gz AQRHKHJUBXXSMQ-HOTGVXAUSA-N 1 2 343.431 1.311 20 30 EDEDLO Cc1ccc2c(c1)nc(CNC(=O)N1C[C@@H]3OCC[N@@H+](C)[C@H]3C1)n2C ZINC000328677562 444425960 /nfs/dbraw/zinc/42/59/60/444425960.db2.gz AQRHKHJUBXXSMQ-HOTGVXAUSA-N 1 2 343.431 1.311 20 30 EDEDLO O=C(NCC1(O)CCOCC1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000329032121 444452587 /nfs/dbraw/zinc/45/25/87/444452587.db2.gz BHBYUYNGULTIQX-UHFFFAOYSA-N 1 2 349.431 1.386 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)o2)c1 ZINC000329082765 444467493 /nfs/dbraw/zinc/46/74/93/444467493.db2.gz SMQDVQINNWALGX-GOSISDBHSA-N 1 2 340.383 1.990 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCO[C@]4(CCCOC4)C3)o2)c1 ZINC000329082765 444467496 /nfs/dbraw/zinc/46/74/96/444467496.db2.gz SMQDVQINNWALGX-GOSISDBHSA-N 1 2 340.383 1.990 20 30 EDEDLO CCN1CCN(C(=O)NCC(C)(C)C[C@H](C)O)C[C@H]1c1[nH]cc[nH+]1 ZINC000331186871 444435997 /nfs/dbraw/zinc/43/59/97/444435997.db2.gz JPXAPTYFMROORZ-KBPBESRZSA-N 1 2 337.468 1.799 20 30 EDEDLO Cc1ncc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C2CC2)n1 ZINC000329128357 444478838 /nfs/dbraw/zinc/47/88/38/444478838.db2.gz NIYUZWSXONJBQJ-GJZGRUSLSA-N 1 2 331.420 1.613 20 30 EDEDLO Cc1ncc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c(C2CC2)n1 ZINC000329128357 444478841 /nfs/dbraw/zinc/47/88/41/444478841.db2.gz NIYUZWSXONJBQJ-GJZGRUSLSA-N 1 2 331.420 1.613 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000329132541 444479922 /nfs/dbraw/zinc/47/99/22/444479922.db2.gz YLGFJTAAEBPMJR-KRWDZBQOSA-N 1 2 332.448 1.581 20 30 EDEDLO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000329132541 444479926 /nfs/dbraw/zinc/47/99/26/444479926.db2.gz YLGFJTAAEBPMJR-KRWDZBQOSA-N 1 2 332.448 1.581 20 30 EDEDLO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329168453 444490171 /nfs/dbraw/zinc/49/01/71/444490171.db2.gz JBMKXZQFRJPRHY-VNQPRFMTSA-N 1 2 336.457 1.959 20 30 EDEDLO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329168453 444490173 /nfs/dbraw/zinc/49/01/73/444490173.db2.gz JBMKXZQFRJPRHY-VNQPRFMTSA-N 1 2 336.457 1.959 20 30 EDEDLO C[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000580714850 322086570 /nfs/dbraw/zinc/08/65/70/322086570.db2.gz KLRIFRAOARISRT-QGZVFWFLSA-N 1 2 346.394 1.838 20 30 EDEDLO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000580714850 322086573 /nfs/dbraw/zinc/08/65/73/322086573.db2.gz KLRIFRAOARISRT-QGZVFWFLSA-N 1 2 346.394 1.838 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)c1 ZINC000580893638 322109259 /nfs/dbraw/zinc/10/92/59/322109259.db2.gz XZRPDTFYPYQZKS-UHFFFAOYSA-N 1 2 329.385 1.749 20 30 EDEDLO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000338088303 444512824 /nfs/dbraw/zinc/51/28/24/444512824.db2.gz QUMYMRODTHXMPW-LLVKDONJSA-N 1 2 334.445 1.842 20 30 EDEDLO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000338088303 444512825 /nfs/dbraw/zinc/51/28/25/444512825.db2.gz QUMYMRODTHXMPW-LLVKDONJSA-N 1 2 334.445 1.842 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@H]3CC(C)(C)OC3(C)C)CC2)cn1 ZINC000329300075 444526562 /nfs/dbraw/zinc/52/65/62/444526562.db2.gz VKTBAPFBWDSFQV-HNNXBMFYSA-N 1 2 349.479 1.798 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCN3CCOC[C@H]3C2)cc1OC ZINC000329416744 444571372 /nfs/dbraw/zinc/57/13/72/444571372.db2.gz GGJYQYSANHFUQP-DZGCQCFKSA-N 1 2 349.431 1.697 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCN3CCOC[C@H]3C2)cc1OC ZINC000329416744 444571374 /nfs/dbraw/zinc/57/13/74/444571374.db2.gz GGJYQYSANHFUQP-DZGCQCFKSA-N 1 2 349.431 1.697 20 30 EDEDLO O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)N[C@H]1CCOc2ccccc21 ZINC000329440006 444579740 /nfs/dbraw/zinc/57/97/40/444579740.db2.gz MVJPGOBNMBWCEK-STQMWFEESA-N 1 2 344.371 1.543 20 30 EDEDLO O=C(NC1CC1)N[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000329446181 444582730 /nfs/dbraw/zinc/58/27/30/444582730.db2.gz CNLLPUMFYUWDJB-GXTWGEPZSA-N 1 2 346.435 1.415 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000329364990 444550948 /nfs/dbraw/zinc/55/09/48/444550948.db2.gz JTLJJEWADCKWBW-UHFFFAOYSA-N 1 2 349.438 1.933 20 30 EDEDLO Cc1noc([C@@H]2CCCN2C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000329496348 444603999 /nfs/dbraw/zinc/60/39/99/444603999.db2.gz UXCZCDSSZBRLRQ-STQMWFEESA-N 1 2 330.392 1.888 20 30 EDEDLO Cc1nnc([C@@H](C)NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)s1 ZINC000329526381 444615405 /nfs/dbraw/zinc/61/54/05/444615405.db2.gz RJYRAPUGJXPAOU-SECBINFHSA-N 1 2 340.453 1.753 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000329651993 444666747 /nfs/dbraw/zinc/66/67/47/444666747.db2.gz DBNROISQTMMOQD-ILXRZTDVSA-N 1 2 338.452 1.452 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000329651993 444666751 /nfs/dbraw/zinc/66/67/51/444666751.db2.gz DBNROISQTMMOQD-ILXRZTDVSA-N 1 2 338.452 1.452 20 30 EDEDLO O=C(NC[C@@H]1CCCn2ccnc21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329668526 444672791 /nfs/dbraw/zinc/67/27/91/444672791.db2.gz RAONKGUQAGNVNQ-HOTGVXAUSA-N 1 2 347.463 1.471 20 30 EDEDLO Cn1c2cc(O)c(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2n(C)c1=O ZINC000329676844 444676056 /nfs/dbraw/zinc/67/60/56/444676056.db2.gz UZFAEISKRDVPGI-JTQLQIEISA-N 1 2 341.371 1.630 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000329683395 444678328 /nfs/dbraw/zinc/67/83/28/444678328.db2.gz TUMIKWCGRSVUEK-HIFRSBDPSA-N 1 2 335.404 1.275 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000329683395 444678332 /nfs/dbraw/zinc/67/83/32/444678332.db2.gz TUMIKWCGRSVUEK-HIFRSBDPSA-N 1 2 335.404 1.275 20 30 EDEDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329576149 444634164 /nfs/dbraw/zinc/63/41/64/444634164.db2.gz SEMSIZNPQUSIID-LESCRADOSA-N 1 2 345.443 1.767 20 30 EDEDLO CCCN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000329595877 444641441 /nfs/dbraw/zinc/64/14/41/444641441.db2.gz VOAKHCKCGXEVOW-QKPAOTATSA-N 1 2 339.480 1.757 20 30 EDEDLO CCCN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000329595877 444641444 /nfs/dbraw/zinc/64/14/44/444641444.db2.gz VOAKHCKCGXEVOW-QKPAOTATSA-N 1 2 339.480 1.757 20 30 EDEDLO N#CC1(F)CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000343975562 444704168 /nfs/dbraw/zinc/70/41/68/444704168.db2.gz JMYZBLMSHKQUER-UHFFFAOYSA-N 1 2 347.394 1.455 20 30 EDEDLO O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329763651 444707966 /nfs/dbraw/zinc/70/79/66/444707966.db2.gz UURPVVHQEKGBLX-XJKSGUPXSA-N 1 2 339.399 1.993 20 30 EDEDLO COc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1Cl ZINC000329930328 444773502 /nfs/dbraw/zinc/77/35/02/444773502.db2.gz OHUZIQSBFWFCOV-OCCSQVGLSA-N 1 2 325.796 1.909 20 30 EDEDLO COc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1Cl ZINC000329930328 444773506 /nfs/dbraw/zinc/77/35/06/444773506.db2.gz OHUZIQSBFWFCOV-OCCSQVGLSA-N 1 2 325.796 1.909 20 30 EDEDLO O=C(C[N@H+]1CCSC[C@@H]1CCO)Nc1ccc2c(c1)OCCO2 ZINC000329935436 444776976 /nfs/dbraw/zinc/77/69/76/444776976.db2.gz CNEKXPQMZCTEAN-ZDUSSCGKSA-N 1 2 338.429 1.846 20 30 EDEDLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)Nc1ccc2c(c1)OCCO2 ZINC000329935436 444776980 /nfs/dbraw/zinc/77/69/80/444776980.db2.gz CNEKXPQMZCTEAN-ZDUSSCGKSA-N 1 2 338.429 1.846 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)N1CCn3ncnc3C1)C2 ZINC000329939475 444778955 /nfs/dbraw/zinc/77/89/55/444778955.db2.gz TWJYIKHFSCQLQS-GFCCVEGCSA-N 1 2 343.435 1.517 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCc3nc4ccccc4[nH]3)C[C@H]21 ZINC000329977091 444796478 /nfs/dbraw/zinc/79/64/78/444796478.db2.gz FXAVDONPUPBWFO-HUUCEWRRSA-N 1 2 329.404 1.034 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCc3nc4ccccc4[nH]3)C[C@H]21 ZINC000329977091 444796481 /nfs/dbraw/zinc/79/64/81/444796481.db2.gz FXAVDONPUPBWFO-HUUCEWRRSA-N 1 2 329.404 1.034 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+][C@H]2CCCN(c3cccnc3)C2=O)C(N)=O)cc1 ZINC000342715263 444830927 /nfs/dbraw/zinc/83/09/27/444830927.db2.gz CVJHGLJKQBTHRP-DLBZAZTESA-N 1 2 349.394 1.265 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000336896446 444839708 /nfs/dbraw/zinc/83/97/08/444839708.db2.gz NNPOMYHUMHPVEV-UONOGXRCSA-N 1 2 325.438 1.246 20 30 EDEDLO COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(C#N)o1)[NH+](C)C ZINC000344210840 444841699 /nfs/dbraw/zinc/84/16/99/444841699.db2.gz CWUALUYKWBKCCM-AWEZNQCLSA-N 1 2 349.412 1.741 20 30 EDEDLO CS(=O)(=O)C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000330094980 444842175 /nfs/dbraw/zinc/84/21/75/444842175.db2.gz URPRERVZCQDBHQ-ZDUSSCGKSA-N 1 2 330.450 1.164 20 30 EDEDLO CS(=O)(=O)C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000330094980 444842179 /nfs/dbraw/zinc/84/21/79/444842179.db2.gz URPRERVZCQDBHQ-ZDUSSCGKSA-N 1 2 330.450 1.164 20 30 EDEDLO C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)S(=O)(=O)C1CCOCC1 ZINC000330168597 444870674 /nfs/dbraw/zinc/87/06/74/444870674.db2.gz WJHSUUHJFHAGAQ-KGLIPLIRSA-N 1 2 346.493 1.657 20 30 EDEDLO CC(C)(C)C(=O)N1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330201781 444886975 /nfs/dbraw/zinc/88/69/75/444886975.db2.gz YIAPSMLFPSWMEU-CYBMUJFWSA-N 1 2 333.436 1.302 20 30 EDEDLO C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCS1(=O)=O ZINC000330255986 444909889 /nfs/dbraw/zinc/90/98/89/444909889.db2.gz PVKQPTGFYOMAPJ-OLZOCXBDSA-N 1 2 340.449 1.184 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330279851 444919983 /nfs/dbraw/zinc/91/99/83/444919983.db2.gz RQSMMRQCKALIFA-KBEGMRNHSA-N 1 2 345.443 1.870 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330279851 444919988 /nfs/dbraw/zinc/91/99/88/444919988.db2.gz RQSMMRQCKALIFA-KBEGMRNHSA-N 1 2 345.443 1.870 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)CN2CCCCCC2=O)CCO1 ZINC000330341748 444944391 /nfs/dbraw/zinc/94/43/91/444944391.db2.gz ZREGSUVEBJZMQH-ZFWWWQNUSA-N 1 2 334.420 1.999 20 30 EDEDLO Cc1c([C@@H]2[C@H](C(=O)NCCc3[nH]cc[nH+]3)CC(=O)N2C)cnn1C ZINC000330314459 444933194 /nfs/dbraw/zinc/93/31/94/444933194.db2.gz XXOFIDKLDPXRPQ-ABAIWWIYSA-N 1 2 330.392 1.170 20 30 EDEDLO N#CCCOCC[N@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000339098253 445031276 /nfs/dbraw/zinc/03/12/76/445031276.db2.gz WATSNOZGVDZXDM-AWEZNQCLSA-N 1 2 328.372 1.101 20 30 EDEDLO N#CCCOCC[N@@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000339098253 445031280 /nfs/dbraw/zinc/03/12/80/445031280.db2.gz WATSNOZGVDZXDM-AWEZNQCLSA-N 1 2 328.372 1.101 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1=O ZINC000337231729 444996601 /nfs/dbraw/zinc/99/66/01/444996601.db2.gz USUNBYFTITXACA-HNNXBMFYSA-N 1 2 346.387 1.560 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1=O ZINC000337231729 444996604 /nfs/dbraw/zinc/99/66/04/444996604.db2.gz USUNBYFTITXACA-HNNXBMFYSA-N 1 2 346.387 1.560 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000339041378 445002826 /nfs/dbraw/zinc/00/28/26/445002826.db2.gz MQHZIMURZCSKOB-SNVBAGLBSA-N 1 2 327.356 1.351 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000339041378 445002828 /nfs/dbraw/zinc/00/28/28/445002828.db2.gz MQHZIMURZCSKOB-SNVBAGLBSA-N 1 2 327.356 1.351 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330655018 445081738 /nfs/dbraw/zinc/08/17/38/445081738.db2.gz MINKENKBVQXQDH-KRXQYRFLSA-N 1 2 335.448 1.847 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000330655018 445081742 /nfs/dbraw/zinc/08/17/42/445081742.db2.gz MINKENKBVQXQDH-KRXQYRFLSA-N 1 2 335.448 1.847 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccccc2OC(F)F)C1 ZINC000330720369 445111912 /nfs/dbraw/zinc/11/19/12/445111912.db2.gz BNGTXPTYESEQSB-LLVKDONJSA-N 1 2 328.363 1.860 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccccc2OC(F)F)C1 ZINC000330720369 445111916 /nfs/dbraw/zinc/11/19/16/445111916.db2.gz BNGTXPTYESEQSB-LLVKDONJSA-N 1 2 328.363 1.860 20 30 EDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000339751905 445166500 /nfs/dbraw/zinc/16/65/00/445166500.db2.gz CAZGGAFPMRUGKL-JTQLQIEISA-N 1 2 341.333 1.502 20 30 EDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000339751905 445166505 /nfs/dbraw/zinc/16/65/05/445166505.db2.gz CAZGGAFPMRUGKL-JTQLQIEISA-N 1 2 341.333 1.502 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000346466332 445215894 /nfs/dbraw/zinc/21/58/94/445215894.db2.gz IJGWNEFYSFRTCK-HNNXBMFYSA-N 1 2 344.434 1.894 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000346506235 445217259 /nfs/dbraw/zinc/21/72/59/445217259.db2.gz RCABMBXHVAXWSZ-JCQPUDPBSA-N 1 2 333.457 1.807 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000346506235 445217260 /nfs/dbraw/zinc/21/72/60/445217260.db2.gz RCABMBXHVAXWSZ-JCQPUDPBSA-N 1 2 333.457 1.807 20 30 EDEDLO N#Cc1ccc(NCC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)nc1 ZINC000343330965 445201900 /nfs/dbraw/zinc/20/19/00/445201900.db2.gz GNXSOKVZDDEPHG-UHFFFAOYSA-N 1 2 333.355 1.644 20 30 EDEDLO CN(C(=O)CN1CC[NH+](C(C)(C)C(N)=O)CC1)C1(C#N)CCCCC1 ZINC000330966129 445203265 /nfs/dbraw/zinc/20/32/65/445203265.db2.gz DKCIYBHDAGYRJX-UHFFFAOYSA-N 1 2 349.479 1.603 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000347537686 445242038 /nfs/dbraw/zinc/24/20/38/445242038.db2.gz RCFBGHXEBRSYRB-WMZOPIPTSA-N 1 2 329.444 1.938 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000347537686 445242039 /nfs/dbraw/zinc/24/20/39/445242039.db2.gz RCFBGHXEBRSYRB-WMZOPIPTSA-N 1 2 329.444 1.938 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1CNC(=O)c1cc(C#N)cs1 ZINC000351650009 445258034 /nfs/dbraw/zinc/25/80/34/445258034.db2.gz WAARGPJUZSOEKA-CHWSQXEVSA-N 1 2 347.419 1.696 20 30 EDEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)N(CCC)CCC)CC1 ZINC000348195659 445312408 /nfs/dbraw/zinc/31/24/08/445312408.db2.gz XZJIIUKSUXGNGF-UHFFFAOYSA-N 1 2 347.525 1.564 20 30 EDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000343635425 445274036 /nfs/dbraw/zinc/27/40/36/445274036.db2.gz HQSHBGCTJVFLAX-CVEARBPZSA-N 1 2 345.447 1.682 20 30 EDEDLO CC(C)[C@H](C#N)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000343635425 445274039 /nfs/dbraw/zinc/27/40/39/445274039.db2.gz HQSHBGCTJVFLAX-CVEARBPZSA-N 1 2 345.447 1.682 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)o3)CC2)no1 ZINC000348399372 445277308 /nfs/dbraw/zinc/27/73/08/445277308.db2.gz QQHHWVXHTPPBEE-CYBMUJFWSA-N 1 2 343.387 1.969 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(C#N)o3)CC2)no1 ZINC000348399372 445277312 /nfs/dbraw/zinc/27/73/12/445277312.db2.gz QQHHWVXHTPPBEE-CYBMUJFWSA-N 1 2 343.387 1.969 20 30 EDEDLO COC(=O)CN(CC#N)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000348802972 445390374 /nfs/dbraw/zinc/39/03/74/445390374.db2.gz OVPAPQYQFYHATH-UHFFFAOYSA-N 1 2 346.412 1.401 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@]2(CO)CCOC2)c1 ZINC000359829391 445449631 /nfs/dbraw/zinc/44/96/31/445449631.db2.gz HHMZWGCVSVEUBG-LJQANCHMSA-N 1 2 345.443 1.633 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@]2(CO)CCOC2)c1 ZINC000359829391 445449634 /nfs/dbraw/zinc/44/96/34/445449634.db2.gz HHMZWGCVSVEUBG-LJQANCHMSA-N 1 2 345.443 1.633 20 30 EDEDLO C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC(F)(C#N)CC1 ZINC000352459221 445531148 /nfs/dbraw/zinc/53/11/48/445531148.db2.gz VUSUDMYRUQHBNM-KBPBESRZSA-N 1 2 347.390 1.659 20 30 EDEDLO COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352458239 445531344 /nfs/dbraw/zinc/53/13/44/445531344.db2.gz HXJMQFBZPYMCAZ-LBPRGKRZSA-N 1 2 325.384 1.114 20 30 EDEDLO CCN1CCN(C(=O)NCc2cccc(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000353461994 445613107 /nfs/dbraw/zinc/61/31/07/445613107.db2.gz SQCDLRNYUKWJPO-MRXNPFEDSA-N 1 2 338.415 1.870 20 30 EDEDLO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)CC1 ZINC000356089989 445614545 /nfs/dbraw/zinc/61/45/45/445614545.db2.gz GTGYZEVACDRRHH-AWEZNQCLSA-N 1 2 329.448 1.838 20 30 EDEDLO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)CC1 ZINC000356089989 445614550 /nfs/dbraw/zinc/61/45/50/445614550.db2.gz GTGYZEVACDRRHH-AWEZNQCLSA-N 1 2 329.448 1.838 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000360212798 445632137 /nfs/dbraw/zinc/63/21/37/445632137.db2.gz QDCDNRRISWJRMP-GFCCVEGCSA-N 1 2 336.359 1.546 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)CC2(C#N)CCC2)C1 ZINC000349462461 445594528 /nfs/dbraw/zinc/59/45/28/445594528.db2.gz ZTUHQRHRJTXFTD-OAHLLOKOSA-N 1 2 341.477 1.053 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)CC2(C#N)CCC2)C1 ZINC000349462461 445594530 /nfs/dbraw/zinc/59/45/30/445594530.db2.gz ZTUHQRHRJTXFTD-OAHLLOKOSA-N 1 2 341.477 1.053 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000356056117 445594724 /nfs/dbraw/zinc/59/47/24/445594724.db2.gz QMYMFRDNTBPHGQ-UXLLHSPISA-N 1 2 338.427 1.118 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000356056117 445594726 /nfs/dbraw/zinc/59/47/26/445594726.db2.gz QMYMFRDNTBPHGQ-UXLLHSPISA-N 1 2 338.427 1.118 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000360294188 445682382 /nfs/dbraw/zinc/68/23/82/445682382.db2.gz XKGBBJUSQHASGN-QGZVFWFLSA-N 1 2 336.399 1.087 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000360294188 445682384 /nfs/dbraw/zinc/68/23/84/445682384.db2.gz XKGBBJUSQHASGN-QGZVFWFLSA-N 1 2 336.399 1.087 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000363203981 445719757 /nfs/dbraw/zinc/71/97/57/445719757.db2.gz UVPMDABBEUJKEI-MRXNPFEDSA-N 1 2 345.447 1.119 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000363203981 445719762 /nfs/dbraw/zinc/71/97/62/445719762.db2.gz UVPMDABBEUJKEI-MRXNPFEDSA-N 1 2 345.447 1.119 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000363175757 445708203 /nfs/dbraw/zinc/70/82/03/445708203.db2.gz AOZAPADOCPVUET-WXHSDQCUSA-N 1 2 332.429 1.677 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000363175757 445708204 /nfs/dbraw/zinc/70/82/04/445708204.db2.gz AOZAPADOCPVUET-WXHSDQCUSA-N 1 2 332.429 1.677 20 30 EDEDLO COc1cccc([C@H](NS(=O)(=O)CCCC#N)c2[nH+]ccn2C)c1 ZINC000363185032 445712904 /nfs/dbraw/zinc/71/29/04/445712904.db2.gz ODKJIULSVCRBEE-HNNXBMFYSA-N 1 2 348.428 1.741 20 30 EDEDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349899353 445715844 /nfs/dbraw/zinc/71/58/44/445715844.db2.gz VVVQTKOMYXQIOG-CQSZACIVSA-N 1 2 332.452 1.027 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)c(C(F)(F)F)c1 ZINC000356401048 445772943 /nfs/dbraw/zinc/77/29/43/445772943.db2.gz GWSMCGUHVBCYDM-UHFFFAOYSA-N 1 2 347.362 1.830 20 30 EDEDLO Cc1nnc(N2C[C@H](F)C[C@H]2C[N@@H+](C)Cc2nc(C#N)cs2)o1 ZINC000356400105 445773063 /nfs/dbraw/zinc/77/30/63/445773063.db2.gz DGRUNJZMZJTRGX-PWSUYJOCSA-N 1 2 336.396 1.755 20 30 EDEDLO Cc1nnc(N2C[C@H](F)C[C@H]2C[N@H+](C)Cc2nc(C#N)cs2)o1 ZINC000356400105 445773068 /nfs/dbraw/zinc/77/30/68/445773068.db2.gz DGRUNJZMZJTRGX-PWSUYJOCSA-N 1 2 336.396 1.755 20 30 EDEDLO Cc1nsc(N2CC[NH+](Cc3ccnc(N(C)C)n3)CC2)c1C#N ZINC000356305212 445727027 /nfs/dbraw/zinc/72/70/27/445727027.db2.gz YJBIZQRQLWISBY-UHFFFAOYSA-N 1 2 343.460 1.501 20 30 EDEDLO C=CCNC(=O)c1ccc(N2CC[NH+](Cc3cnn(C)c3)CC2)nc1 ZINC000361017662 445745276 /nfs/dbraw/zinc/74/52/76/445745276.db2.gz OCUZWMMVOQNCJE-UHFFFAOYSA-N 1 2 340.431 1.053 20 30 EDEDLO C=CCOc1ccc(CNC(=O)C(=O)Nc2c[nH+]ccc2OC)cc1 ZINC000356501990 445826524 /nfs/dbraw/zinc/82/65/24/445826524.db2.gz IZUHUKCDAVQQQE-UHFFFAOYSA-N 1 2 341.367 1.910 20 30 EDEDLO C[C@@H](CC#N)N(C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000350136598 445777830 /nfs/dbraw/zinc/77/78/30/445777830.db2.gz BXHDHKCQUQMSLM-ZDUSSCGKSA-N 1 2 344.419 1.235 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)C2([NH+]3CCOCC3)CCC2)n1 ZINC000364671905 445943867 /nfs/dbraw/zinc/94/38/67/445943867.db2.gz LFNVOUCMZQBDEZ-UHFFFAOYSA-N 1 2 330.432 1.120 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000356717243 445963668 /nfs/dbraw/zinc/96/36/68/445963668.db2.gz VIBTXNKSVGHFAD-UKRRQHHQSA-N 1 2 336.436 1.372 20 30 EDEDLO Cn1ncc2c1nc(N[C@H]1CCCN(c3ccccc3C#N)C1)[nH+]c2N ZINC000364986731 445973194 /nfs/dbraw/zinc/97/31/94/445973194.db2.gz IYOVBQARJLMTLY-ZDUSSCGKSA-N 1 2 348.414 1.898 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@H+](CCC#N)C2)C(=O)C1 ZINC000365039406 445986484 /nfs/dbraw/zinc/98/64/84/445986484.db2.gz FFYPIERAXWBSKN-CQSZACIVSA-N 1 2 336.436 1.444 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@@H+](CCC#N)C2)C(=O)C1 ZINC000365039406 445986491 /nfs/dbraw/zinc/98/64/91/445986491.db2.gz FFYPIERAXWBSKN-CQSZACIVSA-N 1 2 336.436 1.444 20 30 EDEDLO CCCN1C(=O)CC[C@H](C(=O)N[C@H](CC)CC#N)[C@H]1c1c[nH+]cn1C ZINC000356761038 445992652 /nfs/dbraw/zinc/99/26/52/445992652.db2.gz GRSQANKNCFIIJX-KEYYUXOJSA-N 1 2 345.447 1.918 20 30 EDEDLO C#CCCCS(=O)(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000366183819 446068000 /nfs/dbraw/zinc/06/80/00/446068000.db2.gz NPNNXISPQBPQOF-BZUAXINKSA-N 1 2 328.478 1.303 20 30 EDEDLO CCN1C(=O)[C@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)CCN2C1=O ZINC000369432652 446120769 /nfs/dbraw/zinc/12/07/69/446120769.db2.gz AAZAIWNBVIXESP-OAHLLOKOSA-N 1 2 331.803 1.660 20 30 EDEDLO CCN1C(=O)[C@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)CCN2C1=O ZINC000369432652 446120773 /nfs/dbraw/zinc/12/07/73/446120773.db2.gz AAZAIWNBVIXESP-OAHLLOKOSA-N 1 2 331.803 1.660 20 30 EDEDLO CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366403011 446196240 /nfs/dbraw/zinc/19/62/40/446196240.db2.gz MFXOQJBVBPIOMQ-GFCCVEGCSA-N 1 2 342.321 1.427 20 30 EDEDLO CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000366403011 446196246 /nfs/dbraw/zinc/19/62/46/446196246.db2.gz MFXOQJBVBPIOMQ-GFCCVEGCSA-N 1 2 342.321 1.427 20 30 EDEDLO CC[C@@H](C)n1ncc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000359430699 446219699 /nfs/dbraw/zinc/21/96/99/446219699.db2.gz DIOUSNQIXLEXOT-OAHLLOKOSA-N 1 2 347.463 1.851 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366786450 446350486 /nfs/dbraw/zinc/35/04/86/446350486.db2.gz JFABKSFBNKVZGB-CYGHRXIMSA-N 1 2 337.464 1.699 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000366786450 446350488 /nfs/dbraw/zinc/35/04/88/446350488.db2.gz JFABKSFBNKVZGB-CYGHRXIMSA-N 1 2 337.464 1.699 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1ccccc1 ZINC000366879389 446394872 /nfs/dbraw/zinc/39/48/72/446394872.db2.gz GUCSKNSPOWJLHS-HZPDHXFCSA-N 1 2 326.400 1.144 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)c1ccccc1 ZINC000366879389 446394875 /nfs/dbraw/zinc/39/48/75/446394875.db2.gz GUCSKNSPOWJLHS-HZPDHXFCSA-N 1 2 326.400 1.144 20 30 EDEDLO C=C(C)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000452719244 446451650 /nfs/dbraw/zinc/45/16/50/446451650.db2.gz SQNHLIHASUNJDA-UHFFFAOYSA-N 1 2 330.432 1.593 20 30 EDEDLO COc1cc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccn1 ZINC000367117844 446511165 /nfs/dbraw/zinc/51/11/65/446511165.db2.gz UROYMWCEELVVKG-KUHUBIRLSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1cc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccn1 ZINC000367117844 446511169 /nfs/dbraw/zinc/51/11/69/446511169.db2.gz UROYMWCEELVVKG-KUHUBIRLSA-N 1 2 334.379 1.936 20 30 EDEDLO Cc1cc(NC(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc[nH+]1 ZINC000367207791 446522069 /nfs/dbraw/zinc/52/20/69/446522069.db2.gz FLKOGAAAHWRIBN-BFUOFWGJSA-N 1 2 347.378 1.689 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000367824052 446595475 /nfs/dbraw/zinc/59/54/75/446595475.db2.gz QEAQYWGNRUTJPB-KGLIPLIRSA-N 1 2 341.477 1.084 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000367824052 446595480 /nfs/dbraw/zinc/59/54/80/446595480.db2.gz QEAQYWGNRUTJPB-KGLIPLIRSA-N 1 2 341.477 1.084 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccnc3c(OC)cccc23)CC1 ZINC000436199123 446725770 /nfs/dbraw/zinc/72/57/70/446725770.db2.gz SANUAXNCZBFLQD-UHFFFAOYSA-N 1 2 340.427 1.668 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](n3cncn3)C2)C1=O ZINC000375334337 446729916 /nfs/dbraw/zinc/72/99/16/446729916.db2.gz WMEKXTFTDNKKMG-CHWSQXEVSA-N 1 2 328.401 1.264 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](n3cncn3)C2)C1=O ZINC000375334337 446729921 /nfs/dbraw/zinc/72/99/21/446729921.db2.gz WMEKXTFTDNKKMG-CHWSQXEVSA-N 1 2 328.401 1.264 20 30 EDEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000440265565 446841553 /nfs/dbraw/zinc/84/15/53/446841553.db2.gz AVDKXJYDFVSLFF-AWEZNQCLSA-N 1 2 331.416 1.743 20 30 EDEDLO C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000440265565 446841560 /nfs/dbraw/zinc/84/15/60/446841560.db2.gz AVDKXJYDFVSLFF-AWEZNQCLSA-N 1 2 331.416 1.743 20 30 EDEDLO C#CCN(CC#C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2CCC)c1 ZINC000377023960 446867824 /nfs/dbraw/zinc/86/78/24/446867824.db2.gz DQWXEAFTGCBFIG-UHFFFAOYSA-N 1 2 348.406 1.994 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 ZINC000375520064 446868782 /nfs/dbraw/zinc/86/87/82/446868782.db2.gz COMRXVWOBHBEFT-LBPRGKRZSA-N 1 2 348.403 1.999 20 30 EDEDLO CC(C)(CCC#N)CNC(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000377041502 446879823 /nfs/dbraw/zinc/87/98/23/446879823.db2.gz HJVSFSOVPLTJPQ-OAHLLOKOSA-N 1 2 349.479 1.312 20 30 EDEDLO CC(C)NC(=O)CN1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000372191157 447024963 /nfs/dbraw/zinc/02/49/63/447024963.db2.gz JSKRNAMNYONOSM-UHFFFAOYSA-N 1 2 331.435 1.710 20 30 EDEDLO CC(C)NC(=O)CN1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000372191157 447024969 /nfs/dbraw/zinc/02/49/69/447024969.db2.gz JSKRNAMNYONOSM-UHFFFAOYSA-N 1 2 331.435 1.710 20 30 EDEDLO CCN1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000455278151 447103269 /nfs/dbraw/zinc/10/32/69/447103269.db2.gz VWBAMCIDIYIFCQ-SOUVJXGZSA-N 1 2 330.436 1.880 20 30 EDEDLO C[C@@H](O)CNc1cc(N(C)CCOCc2ccc(C#N)cc2)nc[nH+]1 ZINC000413301442 447124892 /nfs/dbraw/zinc/12/48/92/447124892.db2.gz ONSYWOLHZUZIFG-CQSZACIVSA-N 1 2 341.415 1.794 20 30 EDEDLO C[C@@H](O)CNc1cc(N(C)CCOCc2ccc(C#N)cc2)[nH+]cn1 ZINC000413301442 447124900 /nfs/dbraw/zinc/12/49/00/447124900.db2.gz ONSYWOLHZUZIFG-CQSZACIVSA-N 1 2 341.415 1.794 20 30 EDEDLO CC1(C)C[N@H+](CCNS(=O)(=O)CC2(C#N)CCCC2)CCO1 ZINC000444098300 447074715 /nfs/dbraw/zinc/07/47/15/447074715.db2.gz FWOQYXIUFZTPPV-UHFFFAOYSA-N 1 2 329.466 1.101 20 30 EDEDLO CC1(C)C[N@@H+](CCNS(=O)(=O)CC2(C#N)CCCC2)CCO1 ZINC000444098300 447074719 /nfs/dbraw/zinc/07/47/19/447074719.db2.gz FWOQYXIUFZTPPV-UHFFFAOYSA-N 1 2 329.466 1.101 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000368750443 447083864 /nfs/dbraw/zinc/08/38/64/447083864.db2.gz CJKIRYIDYWCZLV-OGIUKLMXSA-N 1 2 333.432 1.601 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000368750443 447083868 /nfs/dbraw/zinc/08/38/68/447083868.db2.gz CJKIRYIDYWCZLV-OGIUKLMXSA-N 1 2 333.432 1.601 20 30 EDEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000368750002 447084219 /nfs/dbraw/zinc/08/42/19/447084219.db2.gz LEOCHMUHACVAJV-INIZCTEOSA-N 1 2 344.390 1.124 20 30 EDEDLO Cc1noc(C2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)n1 ZINC000368769147 447093980 /nfs/dbraw/zinc/09/39/80/447093980.db2.gz ZAGUHSIDAXGWLP-UHFFFAOYSA-N 1 2 339.399 1.746 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455523475 447157025 /nfs/dbraw/zinc/15/70/25/447157025.db2.gz RICDYUYFQPQCSJ-INIZCTEOSA-N 1 2 342.487 1.879 20 30 EDEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)s1 ZINC000425480150 447184244 /nfs/dbraw/zinc/18/42/44/447184244.db2.gz DYCOAXCPYJEYRR-PSLIRLAXSA-N 1 2 336.417 1.389 20 30 EDEDLO C[N@H+](CC(=O)NCC#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000445902559 447205618 /nfs/dbraw/zinc/20/56/18/447205618.db2.gz FFCPATRMFMZCKB-LBPRGKRZSA-N 1 2 338.205 1.844 20 30 EDEDLO C[N@@H+](CC(=O)NCC#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000445902559 447205627 /nfs/dbraw/zinc/20/56/27/447205627.db2.gz FFCPATRMFMZCKB-LBPRGKRZSA-N 1 2 338.205 1.844 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000372714144 447240595 /nfs/dbraw/zinc/24/05/95/447240595.db2.gz KEHLMRRGXKLGAS-MRXNPFEDSA-N 1 2 344.440 1.866 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000372714144 447240598 /nfs/dbraw/zinc/24/05/98/447240598.db2.gz KEHLMRRGXKLGAS-MRXNPFEDSA-N 1 2 344.440 1.866 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCC#N)c(Cl)c1 ZINC000414149809 447278153 /nfs/dbraw/zinc/27/81/53/447278153.db2.gz VEBCMQMNQSUVCM-LBPRGKRZSA-N 1 2 326.780 1.712 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCC#N)c(Cl)c1 ZINC000414149809 447278158 /nfs/dbraw/zinc/27/81/58/447278158.db2.gz VEBCMQMNQSUVCM-LBPRGKRZSA-N 1 2 326.780 1.712 20 30 EDEDLO C[C@@H]1CC(=O)NCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000372823650 447302596 /nfs/dbraw/zinc/30/25/96/447302596.db2.gz MFAMGXYVMCHMBP-CYBMUJFWSA-N 1 2 348.834 1.797 20 30 EDEDLO C[C@@H]1CC(=O)NCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000372823650 447302602 /nfs/dbraw/zinc/30/26/02/447302602.db2.gz MFAMGXYVMCHMBP-CYBMUJFWSA-N 1 2 348.834 1.797 20 30 EDEDLO Cc1cc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)ncc1C#N ZINC000457478574 447583738 /nfs/dbraw/zinc/58/37/38/447583738.db2.gz YRQOAIHFGVGKBF-QGZVFWFLSA-N 1 2 346.456 1.199 20 30 EDEDLO C=CC(C)(C)CNC(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000458992307 447531367 /nfs/dbraw/zinc/53/13/67/447531367.db2.gz VTTNOPOPFDGTJF-ZDUSSCGKSA-N 1 2 332.452 1.487 20 30 EDEDLO C=CC(C)(C)CNC(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000458992307 447531370 /nfs/dbraw/zinc/53/13/70/447531370.db2.gz VTTNOPOPFDGTJF-ZDUSSCGKSA-N 1 2 332.452 1.487 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000459005393 447536075 /nfs/dbraw/zinc/53/60/75/447536075.db2.gz IAVUTBWXTYKCRH-HOTGVXAUSA-N 1 2 349.479 1.264 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000427096087 447543206 /nfs/dbraw/zinc/54/32/06/447543206.db2.gz CFUKKCYVRCPXFR-UHFFFAOYSA-N 1 2 327.363 1.389 20 30 EDEDLO C=CCC[C@@H](CO)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000457682338 447618739 /nfs/dbraw/zinc/61/87/39/447618739.db2.gz WPBGKFBXWPZTDC-HNNXBMFYSA-N 1 2 334.420 1.045 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000410574470 447700370 /nfs/dbraw/zinc/70/03/70/447700370.db2.gz KXUFYYXNRKIIOZ-HNNXBMFYSA-N 1 2 330.432 1.321 20 30 EDEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428463146 447702811 /nfs/dbraw/zinc/70/28/11/447702811.db2.gz OYOHICUACRJNGT-CYBMUJFWSA-N 1 2 325.409 1.601 20 30 EDEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428463146 447702815 /nfs/dbraw/zinc/70/28/15/447702815.db2.gz OYOHICUACRJNGT-CYBMUJFWSA-N 1 2 325.409 1.601 20 30 EDEDLO Cc1nsc(NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)c1C#N ZINC000459569459 447709476 /nfs/dbraw/zinc/70/94/76/447709476.db2.gz NNWJSXQMSJBKTA-ZDUSSCGKSA-N 1 2 349.460 1.898 20 30 EDEDLO Cc1nsc(NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)c1C#N ZINC000459569459 447709479 /nfs/dbraw/zinc/70/94/79/447709479.db2.gz NNWJSXQMSJBKTA-ZDUSSCGKSA-N 1 2 349.460 1.898 20 30 EDEDLO C[C@H]1CN(C2CC2)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000451083260 447674215 /nfs/dbraw/zinc/67/42/15/447674215.db2.gz HRCCYMBJDUZPCV-OAHLLOKOSA-N 1 2 347.484 1.748 20 30 EDEDLO C[C@H]1CN(C2CC2)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000451083260 447674218 /nfs/dbraw/zinc/67/42/18/447674218.db2.gz HRCCYMBJDUZPCV-OAHLLOKOSA-N 1 2 347.484 1.748 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416693883 447675476 /nfs/dbraw/zinc/67/54/76/447675476.db2.gz TVBLSXRVDKSIPI-KSSFIOAISA-N 1 2 342.443 1.956 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416693883 447675481 /nfs/dbraw/zinc/67/54/81/447675481.db2.gz TVBLSXRVDKSIPI-KSSFIOAISA-N 1 2 342.443 1.956 20 30 EDEDLO C=CCN(CCC#N)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000428856965 447717727 /nfs/dbraw/zinc/71/77/27/447717727.db2.gz PVTPMNNPGACVPM-INIZCTEOSA-N 1 2 327.432 1.520 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)CC2(CC#N)CC2)C1 ZINC000451463973 447733289 /nfs/dbraw/zinc/73/32/89/447733289.db2.gz LHRQRFFANGBUGR-OAHLLOKOSA-N 1 2 341.477 1.053 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)CC2(CC#N)CC2)C1 ZINC000451463973 447733293 /nfs/dbraw/zinc/73/32/93/447733293.db2.gz LHRQRFFANGBUGR-OAHLLOKOSA-N 1 2 341.477 1.053 20 30 EDEDLO N#CCc1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c(Cl)c1 ZINC000451485155 447735274 /nfs/dbraw/zinc/73/52/74/447735274.db2.gz IBINCMYLLMZLAO-UHFFFAOYSA-N 1 2 339.848 1.946 20 30 EDEDLO N#CCc1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c(Cl)c1 ZINC000451485155 447735280 /nfs/dbraw/zinc/73/52/80/447735280.db2.gz IBINCMYLLMZLAO-UHFFFAOYSA-N 1 2 339.848 1.946 20 30 EDEDLO C[C@@H](C#N)OCC[N@@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000496421236 447777010 /nfs/dbraw/zinc/77/70/10/447777010.db2.gz XEPWXSYYTZERBE-ZDUSSCGKSA-N 1 2 325.409 1.237 20 30 EDEDLO C[C@@H](C#N)OCC[N@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000496421236 447777012 /nfs/dbraw/zinc/77/70/12/447777012.db2.gz XEPWXSYYTZERBE-ZDUSSCGKSA-N 1 2 325.409 1.237 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)s1 ZINC000487681996 447835842 /nfs/dbraw/zinc/83/58/42/447835842.db2.gz AKENGOLBCAITIU-UHFFFAOYSA-N 1 2 346.456 1.390 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)s1 ZINC000487681996 447835843 /nfs/dbraw/zinc/83/58/43/447835843.db2.gz AKENGOLBCAITIU-UHFFFAOYSA-N 1 2 346.456 1.390 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)c1nc(C)[nH+]c(N(C)C)n1 ZINC000488362186 447845655 /nfs/dbraw/zinc/84/56/55/447845655.db2.gz CDSCVKPFYVRMAK-UHFFFAOYSA-N 1 2 326.404 1.771 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)c1nc(N(C)C)nc(C)[nH+]1 ZINC000488362186 447845656 /nfs/dbraw/zinc/84/56/56/447845656.db2.gz CDSCVKPFYVRMAK-UHFFFAOYSA-N 1 2 326.404 1.771 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000530336984 447862792 /nfs/dbraw/zinc/86/27/92/447862792.db2.gz XVMHTTQGWNNKPV-FZMZJTMJSA-N 1 2 347.381 1.963 20 30 EDEDLO C=CCOc1ccc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1OC ZINC000523114802 447873089 /nfs/dbraw/zinc/87/30/89/447873089.db2.gz OMZJRGIYPAQCDL-AWEZNQCLSA-N 1 2 334.416 1.711 20 30 EDEDLO C=CCOc1ccc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1OC ZINC000523114802 447873096 /nfs/dbraw/zinc/87/30/96/447873096.db2.gz OMZJRGIYPAQCDL-AWEZNQCLSA-N 1 2 334.416 1.711 20 30 EDEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000549258110 447870569 /nfs/dbraw/zinc/87/05/69/447870569.db2.gz SEIZZPXVIXRLII-UHFFFAOYSA-N 1 2 334.468 1.063 20 30 EDEDLO Cc1nnc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000570780294 448062056 /nfs/dbraw/zinc/06/20/56/448062056.db2.gz VYTRMBTWWCYCGG-GDBMZVCRSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1nnc([C@@H]2CC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000570780294 448062060 /nfs/dbraw/zinc/06/20/60/448062060.db2.gz VYTRMBTWWCYCGG-GDBMZVCRSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000570780294 448062064 /nfs/dbraw/zinc/06/20/64/448062064.db2.gz VYTRMBTWWCYCGG-GDBMZVCRSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1n[nH]c([C@@H]2CC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000570780294 448062070 /nfs/dbraw/zinc/06/20/70/448062070.db2.gz VYTRMBTWWCYCGG-GDBMZVCRSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1nc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000570780294 448062073 /nfs/dbraw/zinc/06/20/73/448062073.db2.gz VYTRMBTWWCYCGG-GDBMZVCRSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1nc([C@@H]2CC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000570780294 448062076 /nfs/dbraw/zinc/06/20/76/448062076.db2.gz VYTRMBTWWCYCGG-GDBMZVCRSA-N 1 2 336.399 1.580 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000497295648 448049338 /nfs/dbraw/zinc/04/93/38/448049338.db2.gz GQLHCJLLCZYKGU-HOCLYGCPSA-N 1 2 343.383 1.546 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000497295648 448049343 /nfs/dbraw/zinc/04/93/43/448049343.db2.gz GQLHCJLLCZYKGU-HOCLYGCPSA-N 1 2 343.383 1.546 20 30 EDEDLO N#C[C@@H]1N(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCC[C@@]12CCCCO2 ZINC000570732528 448057301 /nfs/dbraw/zinc/05/73/01/448057301.db2.gz LYIVIUMKLPFLFR-HFTRVMKXSA-N 1 2 328.416 1.899 20 30 EDEDLO C#CCNC(=O)c1cccc(-c2noc([C@@H]3C[N@H+](CC)CCO3)n2)c1 ZINC000491695489 448080709 /nfs/dbraw/zinc/08/07/09/448080709.db2.gz CEJKOYFPWVAARX-HNNXBMFYSA-N 1 2 340.383 1.493 20 30 EDEDLO C#CCNC(=O)c1cccc(-c2noc([C@@H]3C[N@@H+](CC)CCO3)n2)c1 ZINC000491695489 448080711 /nfs/dbraw/zinc/08/07/11/448080711.db2.gz CEJKOYFPWVAARX-HNNXBMFYSA-N 1 2 340.383 1.493 20 30 EDEDLO C#C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000491711515 448085160 /nfs/dbraw/zinc/08/51/60/448085160.db2.gz VKUKCINFZHHCNP-MRXNPFEDSA-N 1 2 340.420 1.142 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000526056806 448088590 /nfs/dbraw/zinc/08/85/90/448088590.db2.gz FDXKSGMBBNMQKX-JQWIXIFHSA-N 1 2 333.354 1.573 20 30 EDEDLO Cc1cc(C#N)nc(NC[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C)n1 ZINC000497079996 448182463 /nfs/dbraw/zinc/18/24/63/448182463.db2.gz SJIOJJIPVXJKFE-AWEZNQCLSA-N 1 2 346.435 1.620 20 30 EDEDLO Cc1cc(C#N)nc(NC[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C)n1 ZINC000497079996 448182470 /nfs/dbraw/zinc/18/24/70/448182470.db2.gz SJIOJJIPVXJKFE-AWEZNQCLSA-N 1 2 346.435 1.620 20 30 EDEDLO C=CC[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000492256484 448200668 /nfs/dbraw/zinc/20/06/68/448200668.db2.gz GAJPNBAIBFPKIO-QWHCGFSZSA-N 1 2 332.466 1.575 20 30 EDEDLO C=CC[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000492256484 448200672 /nfs/dbraw/zinc/20/06/72/448200672.db2.gz GAJPNBAIBFPKIO-QWHCGFSZSA-N 1 2 332.466 1.575 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1sccc1C#N)C2 ZINC000577200479 448233895 /nfs/dbraw/zinc/23/38/95/448233895.db2.gz URLHOQFBTQTOEH-GFCCVEGCSA-N 1 2 330.413 1.404 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O)C1CC1 ZINC000582426113 448235836 /nfs/dbraw/zinc/23/58/36/448235836.db2.gz AEXVONUJMLGBHT-YFHUEUNASA-N 1 2 335.448 1.047 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O)C1CC1 ZINC000582426113 448235844 /nfs/dbraw/zinc/23/58/44/448235844.db2.gz AEXVONUJMLGBHT-YFHUEUNASA-N 1 2 335.448 1.047 20 30 EDEDLO CC[NH+]1C[C@H](C)N(C(=O)c2cc(C#N)c(SC)[nH]c2=O)[C@@H](C)C1 ZINC000571939666 448241304 /nfs/dbraw/zinc/24/13/04/448241304.db2.gz QRRWZMVWNMBKIB-QWRGUYRKSA-N 1 2 334.445 1.935 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000562026525 448241441 /nfs/dbraw/zinc/24/14/41/448241441.db2.gz WAXODPNEEIIGRO-HOTGVXAUSA-N 1 2 337.464 1.171 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000515177780 448270193 /nfs/dbraw/zinc/27/01/93/448270193.db2.gz POLIBUOJAGSLCF-GFCCVEGCSA-N 1 2 339.342 1.307 20 30 EDEDLO COCC(COC)[NH+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000591087345 448258289 /nfs/dbraw/zinc/25/82/89/448258289.db2.gz JTYWMFACYGNTHK-SFHVURJKSA-N 1 2 335.448 1.266 20 30 EDEDLO N#Cc1c2c(cnc1NCc1ccc(N3CCOCC3)[nH+]c1)CCC2 ZINC000566135760 448393234 /nfs/dbraw/zinc/39/32/34/448393234.db2.gz YWKADQLNMNUMQO-UHFFFAOYSA-N 1 2 335.411 2.286 20 30 EDEDLO C[C@@H](C#N)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000583353017 448431704 /nfs/dbraw/zinc/43/17/04/448431704.db2.gz XWKZQMPQZQQCSL-SWLSCSKDSA-N 1 2 331.420 1.293 20 30 EDEDLO C[C@@H](C#N)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000583353017 448431710 /nfs/dbraw/zinc/43/17/10/448431710.db2.gz XWKZQMPQZQQCSL-SWLSCSKDSA-N 1 2 331.420 1.293 20 30 EDEDLO N#Cc1ccc(Cc2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cn1 ZINC000528183526 448454765 /nfs/dbraw/zinc/45/47/65/448454765.db2.gz PAAWRASCSDFRCH-HUUCEWRRSA-N 1 2 325.372 1.853 20 30 EDEDLO N#Cc1ccc(Cc2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cn1 ZINC000528183526 448454770 /nfs/dbraw/zinc/45/47/70/448454770.db2.gz PAAWRASCSDFRCH-HUUCEWRRSA-N 1 2 325.372 1.853 20 30 EDEDLO C[C@@H](C#N)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000583689249 448460346 /nfs/dbraw/zinc/46/03/46/448460346.db2.gz ZYZVSNQBJQIOIH-JTQLQIEISA-N 1 2 331.235 1.972 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2nc(C)no2)c(OC)c1 ZINC000583867023 448464557 /nfs/dbraw/zinc/46/45/57/448464557.db2.gz PKGHKDSCFCZPON-CQSZACIVSA-N 1 2 333.388 1.645 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000573194633 448564340 /nfs/dbraw/zinc/56/43/40/448564340.db2.gz KANYNPWCWYEAJN-KFWWJZLASA-N 1 2 336.457 1.829 20 30 EDEDLO CC(C)CN1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)[C@H](C)C1=O ZINC000528463179 448538223 /nfs/dbraw/zinc/53/82/23/448538223.db2.gz GLQPEEWOBFTCQY-NVXWUHKLSA-N 1 2 345.443 1.487 20 30 EDEDLO CC(C)CN1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)[C@H](C)C1=O ZINC000528463179 448538228 /nfs/dbraw/zinc/53/82/28/448538228.db2.gz GLQPEEWOBFTCQY-NVXWUHKLSA-N 1 2 345.443 1.487 20 30 EDEDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528479232 448545498 /nfs/dbraw/zinc/54/54/98/448545498.db2.gz WDLOYKLDSONLIK-LFPIHBKWSA-N 1 2 344.436 1.129 20 30 EDEDLO C[C@H]1CC[S@@](=O)CC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528479232 448545503 /nfs/dbraw/zinc/54/55/03/448545503.db2.gz WDLOYKLDSONLIK-LFPIHBKWSA-N 1 2 344.436 1.129 20 30 EDEDLO N#CC[C@]1(O)CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000591931325 448587548 /nfs/dbraw/zinc/58/75/48/448587548.db2.gz WEVGJNNWKHMCMP-KRWDZBQOSA-N 1 2 343.362 1.571 20 30 EDEDLO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149054 448709211 /nfs/dbraw/zinc/70/92/11/448709211.db2.gz HLOIELLNOXFPBI-KRWDZBQOSA-N 1 2 331.372 1.071 20 30 EDEDLO COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592149054 448709213 /nfs/dbraw/zinc/70/92/13/448709213.db2.gz HLOIELLNOXFPBI-KRWDZBQOSA-N 1 2 331.372 1.071 20 30 EDEDLO CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149529 448710825 /nfs/dbraw/zinc/71/08/25/448710825.db2.gz QMZZIDROLOIWHS-LJQANCHMSA-N 1 2 345.443 1.580 20 30 EDEDLO CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149529 448710827 /nfs/dbraw/zinc/71/08/27/448710827.db2.gz QMZZIDROLOIWHS-LJQANCHMSA-N 1 2 345.443 1.580 20 30 EDEDLO COC(=O)c1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc(C(=O)OC)c1 ZINC000592150845 448711991 /nfs/dbraw/zinc/71/19/91/448711991.db2.gz HOZOXSKEFMVCSJ-QGZVFWFLSA-N 1 2 332.356 1.110 20 30 EDEDLO COC(=O)c1cc(C[N@H+]2CC[C@](O)(CC#N)C2)cc(C(=O)OC)c1 ZINC000592150845 448711993 /nfs/dbraw/zinc/71/19/93/448711993.db2.gz HOZOXSKEFMVCSJ-QGZVFWFLSA-N 1 2 332.356 1.110 20 30 EDEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C2(C#N)CCCC2)cn1 ZINC000519560296 448786783 /nfs/dbraw/zinc/78/67/83/448786783.db2.gz RGZILLOYFZBKBM-UHFFFAOYSA-N 1 2 326.404 1.729 20 30 EDEDLO COCc1ccc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc1C#N ZINC000529213746 448792617 /nfs/dbraw/zinc/79/26/17/448792617.db2.gz PWQGMGJAWWITBH-UONOGXRCSA-N 1 2 346.431 1.935 20 30 EDEDLO CCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000567994686 448795796 /nfs/dbraw/zinc/79/57/96/448795796.db2.gz RREDWADUVRMZAJ-CQSZACIVSA-N 1 2 330.344 1.436 20 30 EDEDLO CCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC000567994686 448795800 /nfs/dbraw/zinc/79/58/00/448795800.db2.gz RREDWADUVRMZAJ-CQSZACIVSA-N 1 2 330.344 1.436 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)NCC#Cc3ccccc3)CC2)cn1 ZINC000592344283 448799283 /nfs/dbraw/zinc/79/92/83/448799283.db2.gz SGZFCMMQUKOBME-UHFFFAOYSA-N 1 2 337.427 1.299 20 30 EDEDLO Cc1ncc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1C#N ZINC000579545009 448815643 /nfs/dbraw/zinc/81/56/43/448815643.db2.gz ZSVKILLKIDWLSR-CQSZACIVSA-N 1 2 331.401 1.425 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nccc3cc(F)ccc32)CC1 ZINC000581663914 448981996 /nfs/dbraw/zinc/98/19/96/448981996.db2.gz MABPCYKADLEFJS-UHFFFAOYSA-N 1 2 328.391 1.798 20 30 EDEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000595609018 449076426 /nfs/dbraw/zinc/07/64/26/449076426.db2.gz DXYWUAGYHSLEPC-ZDUSSCGKSA-N 1 2 346.456 1.828 20 30 EDEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC(N)=O)C1 ZINC000595609018 449076430 /nfs/dbraw/zinc/07/64/30/449076430.db2.gz DXYWUAGYHSLEPC-ZDUSSCGKSA-N 1 2 346.456 1.828 20 30 EDEDLO Cn1c2nnc(C[N@@H+]3CCC[C@H](CC#N)C3)n2c2ccccc2c1=O ZINC000595612377 449079210 /nfs/dbraw/zinc/07/92/10/449079210.db2.gz VIJPQMRFUCQCHI-CYBMUJFWSA-N 1 2 336.399 1.707 20 30 EDEDLO Cn1c2nnc(C[N@H+]3CCC[C@H](CC#N)C3)n2c2ccccc2c1=O ZINC000595612377 449079216 /nfs/dbraw/zinc/07/92/16/449079216.db2.gz VIJPQMRFUCQCHI-CYBMUJFWSA-N 1 2 336.399 1.707 20 30 EDEDLO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615172 449079689 /nfs/dbraw/zinc/07/96/89/449079689.db2.gz KEWNXCOCBPUZMB-ZIAGYGMSSA-N 1 2 326.400 1.986 20 30 EDEDLO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615172 449079700 /nfs/dbraw/zinc/07/97/00/449079700.db2.gz KEWNXCOCBPUZMB-ZIAGYGMSSA-N 1 2 326.400 1.986 20 30 EDEDLO COc1cc(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)cc(OC)c1OC ZINC000582336030 449067361 /nfs/dbraw/zinc/06/73/61/449067361.db2.gz ALBDWNCJQZOGFK-KRWDZBQOSA-N 1 2 335.404 1.215 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595634085 449091716 /nfs/dbraw/zinc/09/17/16/449091716.db2.gz WXLDAYGNAGBZLY-UHFFFAOYSA-N 1 2 330.457 1.942 20 30 EDEDLO CC(C)n1cnnc1C[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000590026456 449098140 /nfs/dbraw/zinc/09/81/40/449098140.db2.gz WXXNAPPMNIPMMG-INIZCTEOSA-N 1 2 343.431 1.797 20 30 EDEDLO CC(C)n1cnnc1C[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000590026456 449098149 /nfs/dbraw/zinc/09/81/49/449098149.db2.gz WXXNAPPMNIPMMG-INIZCTEOSA-N 1 2 343.431 1.797 20 30 EDEDLO CO[C@@]1(CO)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595662169 449103793 /nfs/dbraw/zinc/10/37/93/449103793.db2.gz NKCJENMMGRRGKF-INIZCTEOSA-N 1 2 337.807 1.623 20 30 EDEDLO CO[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595662169 449103799 /nfs/dbraw/zinc/10/37/99/449103799.db2.gz NKCJENMMGRRGKF-INIZCTEOSA-N 1 2 337.807 1.623 20 30 EDEDLO CN(C)c1noc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n1 ZINC000595765699 449155402 /nfs/dbraw/zinc/15/54/02/449155402.db2.gz UTYVEFOOCKWVPH-UHFFFAOYSA-N 1 2 327.388 1.803 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(C#N)c1C ZINC000595741274 449140848 /nfs/dbraw/zinc/14/08/48/449140848.db2.gz MEVKNCKGVCOWQS-OCCSQVGLSA-N 1 2 330.388 1.307 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(C#N)c1C ZINC000595741274 449140853 /nfs/dbraw/zinc/14/08/53/449140853.db2.gz MEVKNCKGVCOWQS-OCCSQVGLSA-N 1 2 330.388 1.307 20 30 EDEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595834854 449197127 /nfs/dbraw/zinc/19/71/27/449197127.db2.gz MEKKGGZFSIKPDU-DNVCBOLYSA-N 1 2 343.427 1.910 20 30 EDEDLO CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595834854 449197130 /nfs/dbraw/zinc/19/71/30/449197130.db2.gz MEKKGGZFSIKPDU-DNVCBOLYSA-N 1 2 343.427 1.910 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000595865534 449217633 /nfs/dbraw/zinc/21/76/33/449217633.db2.gz ADPGJOQRAVJDSK-XHDPSFHLSA-N 1 2 325.359 1.596 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000598000172 449185510 /nfs/dbraw/zinc/18/55/10/449185510.db2.gz YAVYJKCFPOBHLO-IIDMSEBBSA-N 1 2 340.427 1.466 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000598000172 449185517 /nfs/dbraw/zinc/18/55/17/449185517.db2.gz YAVYJKCFPOBHLO-IIDMSEBBSA-N 1 2 340.427 1.466 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)N2Cc3cccc(C#N)c3C2)CCO1 ZINC000593334824 449231273 /nfs/dbraw/zinc/23/12/73/449231273.db2.gz PJAMDNDDBVZZSD-UHFFFAOYSA-N 1 2 328.416 1.694 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)N2Cc3cccc(C#N)c3C2)CCO1 ZINC000593334824 449231281 /nfs/dbraw/zinc/23/12/81/449231281.db2.gz PJAMDNDDBVZZSD-UHFFFAOYSA-N 1 2 328.416 1.694 20 30 EDEDLO Cc1cn2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2[nH+]1 ZINC000602046006 449298860 /nfs/dbraw/zinc/29/88/60/449298860.db2.gz FGIPZPHIGVZQRF-UHFFFAOYSA-N 1 2 346.394 1.872 20 30 EDEDLO CC(C)(C)n1nnc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000593943180 449301170 /nfs/dbraw/zinc/30/11/70/449301170.db2.gz KIGLKOUBTZETDE-UHFFFAOYSA-N 1 2 339.447 1.618 20 30 EDEDLO CCN1CCN(S(=O)(=O)CC2(CC#N)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000590755491 449275257 /nfs/dbraw/zinc/27/52/57/449275257.db2.gz FQKFHWFUGKKYAS-ZDUSSCGKSA-N 1 2 337.449 1.112 20 30 EDEDLO Cc1cc(N2CC[NH+](CC(=O)NC(C)C)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596059411 449340960 /nfs/dbraw/zinc/34/09/60/449340960.db2.gz ZDEKKFPLCMIIJD-UHFFFAOYSA-N 1 2 345.403 1.422 20 30 EDEDLO Cc1cn2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2[nH+]1 ZINC000602080760 449328599 /nfs/dbraw/zinc/32/85/99/449328599.db2.gz YABPZTDOHJSMPJ-UHFFFAOYSA-N 1 2 346.394 1.872 20 30 EDEDLO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)ncc1C#N ZINC000594293373 449434571 /nfs/dbraw/zinc/43/45/71/449434571.db2.gz RZPMIRDRKWTQAM-MRXNPFEDSA-N 1 2 349.394 1.503 20 30 EDEDLO Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)ncc1C#N ZINC000594293373 449434575 /nfs/dbraw/zinc/43/45/75/449434575.db2.gz RZPMIRDRKWTQAM-MRXNPFEDSA-N 1 2 349.394 1.503 20 30 EDEDLO Cc1cn2ccc(C(=O)N3CCN(c4cnccc4C#N)CC3)cc2[nH+]1 ZINC000602161368 449393160 /nfs/dbraw/zinc/39/31/60/449393160.db2.gz PTWBYUVLDUTSQP-UHFFFAOYSA-N 1 2 346.394 1.872 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(C#N)cc2F)[C@H](C)CO1 ZINC000596272589 449449733 /nfs/dbraw/zinc/44/97/33/449449733.db2.gz ISFJGOGEZMSKAK-CHWSQXEVSA-N 1 2 334.395 1.606 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(C#N)cc2F)[C@H](C)CO1 ZINC000596272589 449449735 /nfs/dbraw/zinc/44/97/35/449449735.db2.gz ISFJGOGEZMSKAK-CHWSQXEVSA-N 1 2 334.395 1.606 20 30 EDEDLO CCOC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCn1cnc(C#N)n1 ZINC000600587818 449451345 /nfs/dbraw/zinc/45/13/45/449451345.db2.gz HZSWNFSXSZMQNE-CQSZACIVSA-N 1 2 331.351 1.053 20 30 EDEDLO N#Cc1cccc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)n1 ZINC000596515200 449536616 /nfs/dbraw/zinc/53/66/16/449536616.db2.gz LXCNWQNTHHTRIT-IBGZPJMESA-N 1 2 338.411 1.629 20 30 EDEDLO N#Cc1cccc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)n1 ZINC000596515200 449536622 /nfs/dbraw/zinc/53/66/22/449536622.db2.gz LXCNWQNTHHTRIT-IBGZPJMESA-N 1 2 338.411 1.629 20 30 EDEDLO N#Cc1ncccc1NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000596515306 449537554 /nfs/dbraw/zinc/53/75/54/449537554.db2.gz MZUOTQPBWGPRRO-LJQANCHMSA-N 1 2 338.411 1.629 20 30 EDEDLO N#Cc1ncccc1NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000596515306 449537558 /nfs/dbraw/zinc/53/75/58/449537558.db2.gz MZUOTQPBWGPRRO-LJQANCHMSA-N 1 2 338.411 1.629 20 30 EDEDLO C[C@@H](CNS(=O)(=O)CC(C)(C)CC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594472178 449537930 /nfs/dbraw/zinc/53/79/30/449537930.db2.gz ZYKVXFUDSQHHIG-MELADBBJSA-N 1 2 331.482 1.343 20 30 EDEDLO C[C@@H](CNS(=O)(=O)CC(C)(C)CC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594472178 449537937 /nfs/dbraw/zinc/53/79/37/449537937.db2.gz ZYKVXFUDSQHHIG-MELADBBJSA-N 1 2 331.482 1.343 20 30 EDEDLO N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000594435252 449514469 /nfs/dbraw/zinc/51/44/69/449514469.db2.gz CRSJEHAQAQMGLM-ZIAGYGMSSA-N 1 2 330.436 1.799 20 30 EDEDLO C[C@]1(C#N)CCC[N@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000612162724 449593824 /nfs/dbraw/zinc/59/38/24/449593824.db2.gz KGPOECSGDRFHMU-MAUKXSAKSA-N 1 2 342.399 1.490 20 30 EDEDLO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)C1 ZINC000612162724 449593832 /nfs/dbraw/zinc/59/38/32/449593832.db2.gz KGPOECSGDRFHMU-MAUKXSAKSA-N 1 2 342.399 1.490 20 30 EDEDLO N#CC1(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC2(CC2)C1 ZINC000600991620 449638914 /nfs/dbraw/zinc/63/89/14/449638914.db2.gz HARXWBOPEJYMJC-UHFFFAOYSA-N 1 2 326.400 1.618 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000594802820 449715416 /nfs/dbraw/zinc/71/54/16/449715416.db2.gz DHADNBNPPPZWMC-ZDUSSCGKSA-N 1 2 337.449 1.108 20 30 EDEDLO COc1cc(C[NH+]2CCN(CCc3cnccn3)CC2)ccc1C#N ZINC000602743109 449778456 /nfs/dbraw/zinc/77/84/56/449778456.db2.gz QHXGRPFIRXCXGV-UHFFFAOYSA-N 1 2 337.427 1.717 20 30 EDEDLO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)CCOCC1 ZINC000614667382 449750716 /nfs/dbraw/zinc/75/07/16/449750716.db2.gz BKHOCAYGCRVJGA-HNNXBMFYSA-N 1 2 348.447 1.771 20 30 EDEDLO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)CCOCC1 ZINC000614667382 449750719 /nfs/dbraw/zinc/75/07/19/449750719.db2.gz BKHOCAYGCRVJGA-HNNXBMFYSA-N 1 2 348.447 1.771 20 30 EDEDLO Cc1ccn([C@H](C)CC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000597023420 449772292 /nfs/dbraw/zinc/77/22/92/449772292.db2.gz VKVCTXGRSTZEBG-MRXNPFEDSA-N 1 2 333.436 1.217 20 30 EDEDLO C[C@H]1C[NH+](Cc2csc(-c3cnn(C)c3)n2)C[C@H](C)N1CC#N ZINC000602854180 449861045 /nfs/dbraw/zinc/86/10/45/449861045.db2.gz AHXCYXNJOZJYRX-STQMWFEESA-N 1 2 330.461 1.962 20 30 EDEDLO C[C@@H]1C[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)N1CC#N ZINC000602860492 449870114 /nfs/dbraw/zinc/87/01/14/449870114.db2.gz IVRPMMVYGVPURE-IIDMSEBBSA-N 1 2 337.427 1.582 20 30 EDEDLO CC(=O)Nc1ccc(NC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602863240 449872940 /nfs/dbraw/zinc/87/29/40/449872940.db2.gz PFCLLJHWJHYPJX-KBPBESRZSA-N 1 2 343.431 1.502 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)NC(=O)NC2CCCCC2)C[C@@H](C)N1CC#N ZINC000602867078 449876879 /nfs/dbraw/zinc/87/68/79/449876879.db2.gz XIJOKHLCUADMOF-ZIAGYGMSSA-N 1 2 335.452 1.063 20 30 EDEDLO COCc1ccccc1CNC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602866218 449877083 /nfs/dbraw/zinc/87/70/83/449877083.db2.gz VHHSSVBDKGMOBR-HZPDHXFCSA-N 1 2 344.459 1.367 20 30 EDEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000614924849 449880727 /nfs/dbraw/zinc/88/07/27/449880727.db2.gz OBHHBPQAPMBCJP-CQSZACIVSA-N 1 2 346.353 1.686 20 30 EDEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000614924849 449880734 /nfs/dbraw/zinc/88/07/34/449880734.db2.gz OBHHBPQAPMBCJP-CQSZACIVSA-N 1 2 346.353 1.686 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)CCOCC1 ZINC000599322363 449890995 /nfs/dbraw/zinc/89/09/95/449890995.db2.gz ZFMAVELSZULPCR-MSOLQXFVSA-N 1 2 346.427 1.837 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)CCOCC1 ZINC000599322363 449890998 /nfs/dbraw/zinc/89/09/98/449890998.db2.gz ZFMAVELSZULPCR-MSOLQXFVSA-N 1 2 346.427 1.837 20 30 EDEDLO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@@H](O)CC2(C#N)CCOCC2)no1 ZINC000599269712 449847506 /nfs/dbraw/zinc/84/75/06/449847506.db2.gz XBZASSPHRFTDKW-GJZGRUSLSA-N 1 2 334.420 1.976 20 30 EDEDLO Cc1nc([C@@H]2CCCC[N@H+]2C[C@@H](O)CC2(C#N)CCOCC2)no1 ZINC000599269712 449847511 /nfs/dbraw/zinc/84/75/11/449847511.db2.gz XBZASSPHRFTDKW-GJZGRUSLSA-N 1 2 334.420 1.976 20 30 EDEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599354919 449914654 /nfs/dbraw/zinc/91/46/54/449914654.db2.gz YLEGBZGUQYWMAI-HZPDHXFCSA-N 1 2 348.447 1.471 20 30 EDEDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599354919 449914656 /nfs/dbraw/zinc/91/46/56/449914656.db2.gz YLEGBZGUQYWMAI-HZPDHXFCSA-N 1 2 348.447 1.471 20 30 EDEDLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000601453351 449976699 /nfs/dbraw/zinc/97/66/99/449976699.db2.gz RYZKIIIGLHWVCX-JKSUJKDBSA-N 1 2 349.456 1.336 20 30 EDEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1nnc2n1CCCCC2 ZINC000613062647 450005373 /nfs/dbraw/zinc/00/53/73/450005373.db2.gz JDXYZXPZGPLDTP-CQSZACIVSA-N 1 2 343.435 1.311 20 30 EDEDLO N#Cc1cc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)ncn1 ZINC000615277946 450041920 /nfs/dbraw/zinc/04/19/20/450041920.db2.gz BTRMEGWVBCCWSB-UHFFFAOYSA-N 1 2 336.399 1.863 20 30 EDEDLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1cc(O)cc(C#N)c1 ZINC000603117039 450078770 /nfs/dbraw/zinc/07/87/70/450078770.db2.gz OUVBUQMVAJHKAE-JKSUJKDBSA-N 1 2 329.400 1.493 20 30 EDEDLO Cc1ccn2cc(CNC(=O)N3CCN(CCC#N)CC3)[nH+]c2c1 ZINC000601573086 450083454 /nfs/dbraw/zinc/08/34/54/450083454.db2.gz JRMUWGNHFAXFAJ-UHFFFAOYSA-N 1 2 326.404 1.384 20 30 EDEDLO Cc1nn(-c2ccccc2)c(Cn2cc([C@@H]3COCC[NH2+]3)nn2)c1C#N ZINC000603184886 450124386 /nfs/dbraw/zinc/12/43/86/450124386.db2.gz BFSLRBQERKFCHC-KRWDZBQOSA-N 1 2 349.398 1.353 20 30 EDEDLO C[C@@H]([NH2+]Cc1nnnn1CC1CCOCC1)c1cccc(C#N)c1 ZINC000618302210 450125756 /nfs/dbraw/zinc/12/57/56/450125756.db2.gz CCYNNGJCUHTKKB-CYBMUJFWSA-N 1 2 326.404 1.822 20 30 EDEDLO N#C[C@]1(F)CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000615577304 450151287 /nfs/dbraw/zinc/15/12/87/450151287.db2.gz BDGDFIBACZVRFP-SJLPKXTDSA-N 1 2 346.406 1.535 20 30 EDEDLO N#C[C@]1(F)CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000615577304 450151294 /nfs/dbraw/zinc/15/12/94/450151294.db2.gz BDGDFIBACZVRFP-SJLPKXTDSA-N 1 2 346.406 1.535 20 30 EDEDLO CCNC(=O)C[NH+]1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613411770 450168113 /nfs/dbraw/zinc/16/81/13/450168113.db2.gz WYZJXQUEQCFHQK-UHFFFAOYSA-N 1 2 329.448 1.509 20 30 EDEDLO C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000595516873 450201162 /nfs/dbraw/zinc/20/11/62/450201162.db2.gz VWUGRFNQBXQOSW-CABCVRRESA-N 1 2 330.432 1.509 20 30 EDEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)C[C@@H]1C[N@H+](C)CCO1 ZINC000601739329 450204544 /nfs/dbraw/zinc/20/45/44/450204544.db2.gz QZTKQIRBVLROSX-WMZOPIPTSA-N 1 2 345.443 1.751 20 30 EDEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601739329 450204550 /nfs/dbraw/zinc/20/45/50/450204550.db2.gz QZTKQIRBVLROSX-WMZOPIPTSA-N 1 2 345.443 1.751 20 30 EDEDLO N#CCc1cccc2c1CCN(S(=O)(=O)CCn1cc[nH+]c1)C2 ZINC000603400707 450281964 /nfs/dbraw/zinc/28/19/64/450281964.db2.gz WHMUDCUEPOMXLF-UHFFFAOYSA-N 1 2 330.413 1.337 20 30 EDEDLO N#Cc1ccc2c(c1)CCN2C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000597771052 450245447 /nfs/dbraw/zinc/24/54/47/450245447.db2.gz COPHTGXHVIUSPO-UHFFFAOYSA-N 1 2 348.406 1.988 20 30 EDEDLO C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000619719311 450319652 /nfs/dbraw/zinc/31/96/52/450319652.db2.gz MFGBBKWQPDZRPZ-INIZCTEOSA-N 1 2 327.384 1.936 20 30 EDEDLO C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000619033182 450385315 /nfs/dbraw/zinc/38/53/15/450385315.db2.gz BDVOQZIXMOXWBP-LSDHHAIUSA-N 1 2 330.432 1.981 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCCC1 ZINC000613938171 450366002 /nfs/dbraw/zinc/36/60/02/450366002.db2.gz QQIMQTZYFXYXQB-HNNXBMFYSA-N 1 2 341.477 1.197 20 30 EDEDLO NC(=O)c1cn(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)nn1 ZINC000625810875 450514663 /nfs/dbraw/zinc/51/46/63/450514663.db2.gz ZXQQSNKEYBAEDV-UHFFFAOYSA-N 1 2 343.818 1.719 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629441735 450687889 /nfs/dbraw/zinc/68/78/89/450687889.db2.gz TWWJYZNPNQAUJI-DOTOQJQBSA-N 1 2 333.432 1.380 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629441735 450687894 /nfs/dbraw/zinc/68/78/94/450687894.db2.gz TWWJYZNPNQAUJI-DOTOQJQBSA-N 1 2 333.432 1.380 20 30 EDEDLO C=CC[C@@H]1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000626393610 450718810 /nfs/dbraw/zinc/71/88/10/450718810.db2.gz YIBGXFGXYCPEQR-OAHLLOKOSA-N 1 2 333.436 1.645 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](CCc2cnccn2)CC1)OCC ZINC000634510896 451377236 /nfs/dbraw/zinc/37/72/36/451377236.db2.gz RWYUXOIGNXPDCB-KRWDZBQOSA-N 1 2 332.448 1.535 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nccn3nc(C4CC4)cc23)CC1 ZINC000631048185 451552232 /nfs/dbraw/zinc/55/22/32/451552232.db2.gz UNRBJSZGGOGBBB-UHFFFAOYSA-N 1 2 340.431 1.031 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](C)c2ccc(Cl)cc2)nn1 ZINC000640844457 451630651 /nfs/dbraw/zinc/63/06/51/451630651.db2.gz HCONXAYOLFWVQD-CYBMUJFWSA-N 1 2 345.834 1.922 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2nc(C)c(C)s2)nn1 ZINC000640918538 451690843 /nfs/dbraw/zinc/69/08/43/451690843.db2.gz STPBDAVULDFCCB-LLVKDONJSA-N 1 2 332.433 1.664 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CCCS(=O)(=O)c2ccccc2)nn1 ZINC000641132897 451758177 /nfs/dbraw/zinc/75/81/77/451758177.db2.gz QBPAPARPUVNJNA-UHFFFAOYSA-N 1 2 332.429 1.255 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)nn1 ZINC000657432215 452245864 /nfs/dbraw/zinc/24/58/64/452245864.db2.gz CUTZLIYNHWJJOG-INIZCTEOSA-N 1 2 326.404 1.534 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2nnc(C)n2C)CC1 ZINC000639975810 452308872 /nfs/dbraw/zinc/30/88/72/452308872.db2.gz WCQSEACGTJQEKS-CQSZACIVSA-N 1 2 334.468 1.059 20 30 EDEDLO C=CCOCCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000658703443 453291790 /nfs/dbraw/zinc/29/17/90/453291790.db2.gz QLDRVLGZTMAEEY-HUUCEWRRSA-N 1 2 334.420 1.002 20 30 EDEDLO C=CCCn1cc(CNc2ccc[nH+]c2N2CCC(O)CC2)nn1 ZINC000657417220 453783810 /nfs/dbraw/zinc/78/38/10/453783810.db2.gz UZJMCCOLFRLVDE-UHFFFAOYSA-N 1 2 328.420 1.822 20 30 EDEDLO C=CCCOCC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000673234770 486961660 /nfs/dbraw/zinc/96/16/60/486961660.db2.gz GWUNEOVBBBYGEI-UHFFFAOYSA-N 1 2 345.443 1.882 20 30 EDEDLO COc1cc(C[NH+]2CCC(C#N)CC2)cc(Cl)c1OCC(N)=O ZINC000123693319 533799265 /nfs/dbraw/zinc/79/92/65/533799265.db2.gz QQNXIBCQLMNCRO-UHFFFAOYSA-N 1 2 337.807 1.948 20 30 EDEDLO N#CCCn1ccc(NC(=O)NCc2cccnc2-n2cc[nH+]c2)n1 ZINC000173340927 534659412 /nfs/dbraw/zinc/65/94/12/534659412.db2.gz WIUDSUMRMLXTSA-UHFFFAOYSA-N 1 2 336.359 1.699 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(C(=O)c2ccc(C#N)o2)C1 ZINC000352889028 534756049 /nfs/dbraw/zinc/75/60/49/534756049.db2.gz SARLFFODDBBOJI-KRWDZBQOSA-N 1 2 333.388 1.687 20 30 EDEDLO CC(C)[C@H](C(=O)Nc1ccn(CCC#N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246637910 534913832 /nfs/dbraw/zinc/91/38/32/534913832.db2.gz DQSUHIHFYHDIGD-IJEWVQPXSA-N 1 2 333.436 1.869 20 30 EDEDLO CC(C)[C@H](C(=O)Nc1ccn(CCC#N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246637910 534913835 /nfs/dbraw/zinc/91/38/35/534913835.db2.gz DQSUHIHFYHDIGD-IJEWVQPXSA-N 1 2 333.436 1.869 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179499441 526608618 /nfs/dbraw/zinc/60/86/18/526608618.db2.gz QHPSAKHDGAODKJ-AAEUAGOBSA-N 1 2 346.435 1.262 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179499441 526608622 /nfs/dbraw/zinc/60/86/22/526608622.db2.gz QHPSAKHDGAODKJ-AAEUAGOBSA-N 1 2 346.435 1.262 20 30 EDEDLO C=C(C)COCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000134984184 526641267 /nfs/dbraw/zinc/64/12/67/526641267.db2.gz DKPFTPQFHPZGAM-GOSISDBHSA-N 1 2 347.459 1.952 20 30 EDEDLO C=CC1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000111475445 526966275 /nfs/dbraw/zinc/96/62/75/526966275.db2.gz BWSZKNWNXBIYON-QGZVFWFLSA-N 1 2 339.505 1.802 20 30 EDEDLO CCNC(=O)C[N@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000133521066 528082685 /nfs/dbraw/zinc/08/26/85/528082685.db2.gz YTRGDJSCMQNKOG-AWEZNQCLSA-N 1 2 348.422 1.919 20 30 EDEDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000133521066 528082689 /nfs/dbraw/zinc/08/26/89/528082689.db2.gz YTRGDJSCMQNKOG-AWEZNQCLSA-N 1 2 348.422 1.919 20 30 EDEDLO CCN1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1=O ZINC000190199297 529044600 /nfs/dbraw/zinc/04/46/00/529044600.db2.gz JPKOUZCMQSWMEF-MRXNPFEDSA-N 1 2 326.400 1.218 20 30 EDEDLO CCN1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1=O ZINC000190199297 529044602 /nfs/dbraw/zinc/04/46/02/529044602.db2.gz JPKOUZCMQSWMEF-MRXNPFEDSA-N 1 2 326.400 1.218 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000741715163 579425544 /nfs/dbraw/zinc/42/55/44/579425544.db2.gz TUHVQBKIAAKRCH-KRWDZBQOSA-N 1 2 343.402 1.094 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000741715163 579425545 /nfs/dbraw/zinc/42/55/45/579425545.db2.gz TUHVQBKIAAKRCH-KRWDZBQOSA-N 1 2 343.402 1.094 20 30 EDEDLO NC(=[NH+]OCC(=O)NCCOc1cccc(F)c1)c1ccc(F)cc1 ZINC000742353236 579449609 /nfs/dbraw/zinc/44/96/09/579449609.db2.gz WJMKMKOPJZCVAM-UHFFFAOYSA-N 1 2 349.337 1.797 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCO1 ZINC000725856176 578290202 /nfs/dbraw/zinc/29/02/02/578290202.db2.gz LXAZKPLNMQQFRV-CYBMUJFWSA-N 1 2 333.436 1.957 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCO1 ZINC000725856176 578290203 /nfs/dbraw/zinc/29/02/03/578290203.db2.gz LXAZKPLNMQQFRV-CYBMUJFWSA-N 1 2 333.436 1.957 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(OCCOC)c1 ZINC000730097121 578614108 /nfs/dbraw/zinc/61/41/08/578614108.db2.gz BYULGZRGCRHRQA-HNNXBMFYSA-N 1 2 332.400 1.757 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(OCCOC)c1 ZINC000730097121 578614110 /nfs/dbraw/zinc/61/41/10/578614110.db2.gz BYULGZRGCRHRQA-HNNXBMFYSA-N 1 2 332.400 1.757 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000730279079 578638935 /nfs/dbraw/zinc/63/89/35/578638935.db2.gz VAPICTBIVGYYNU-UXLLHSPISA-N 1 2 342.443 1.731 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000730279079 578638936 /nfs/dbraw/zinc/63/89/36/578638936.db2.gz VAPICTBIVGYYNU-UXLLHSPISA-N 1 2 342.443 1.731 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CN3CC4(CCCC4)CC3=O)CC2)n1 ZINC000760551546 580033514 /nfs/dbraw/zinc/03/35/14/580033514.db2.gz NKFHXATVKPQJDR-UHFFFAOYSA-N 1 2 339.443 1.825 20 30 EDEDLO C=CCN1CC(=O)N([C@H](C[NH+]2CCOCC2)c2ccccc2)C1=O ZINC000760973291 580043002 /nfs/dbraw/zinc/04/30/02/580043002.db2.gz WYVWYAITAHWVEQ-MRXNPFEDSA-N 1 2 329.400 1.510 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000735693639 578911979 /nfs/dbraw/zinc/91/19/79/578911979.db2.gz ZMTPBWJZCLVQBS-MRXNPFEDSA-N 1 2 343.410 1.672 20 30 EDEDLO N#Cc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(F)c(F)c2)c1 ZINC000746091477 579571716 /nfs/dbraw/zinc/57/17/16/579571716.db2.gz JGWHOSQTSMBBQY-UHFFFAOYSA-N 1 2 344.321 1.999 20 30 EDEDLO C=CCn1nnn(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1=S ZINC000777555426 580444481 /nfs/dbraw/zinc/44/44/81/580444481.db2.gz AVOVNXUVKXYDEA-INIZCTEOSA-N 1 2 342.428 1.548 20 30 EDEDLO C=CCn1nnn(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1=S ZINC000777555426 580444482 /nfs/dbraw/zinc/44/44/82/580444482.db2.gz AVOVNXUVKXYDEA-INIZCTEOSA-N 1 2 342.428 1.548 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](CCC)Cc2ccccc2F)CC1 ZINC000748814947 579701239 /nfs/dbraw/zinc/70/12/39/579701239.db2.gz IRNHKUOZYBGMDT-UHFFFAOYSA-N 1 2 331.435 1.815 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](CCC)Cc2ccccc2F)CC1 ZINC000748814947 579701240 /nfs/dbraw/zinc/70/12/40/579701240.db2.gz IRNHKUOZYBGMDT-UHFFFAOYSA-N 1 2 331.435 1.815 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000748817527 579701686 /nfs/dbraw/zinc/70/16/86/579701686.db2.gz OEAGQMYYGXXCFJ-SFHVURJKSA-N 1 2 347.409 1.879 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000748817527 579701687 /nfs/dbraw/zinc/70/16/87/579701687.db2.gz OEAGQMYYGXXCFJ-SFHVURJKSA-N 1 2 347.409 1.879 20 30 EDEDLO CO[C@H]1CC[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000751945884 579829509 /nfs/dbraw/zinc/82/95/09/579829509.db2.gz CULBRUXWNVCCMW-YOEHRIQHSA-N 1 2 328.372 1.003 20 30 EDEDLO CO[C@H]1CC[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 ZINC000751945884 579829510 /nfs/dbraw/zinc/82/95/10/579829510.db2.gz CULBRUXWNVCCMW-YOEHRIQHSA-N 1 2 328.372 1.003 20 30 EDEDLO Cc1ccc(S(=O)(=O)NN=C2C[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000752155946 579839963 /nfs/dbraw/zinc/83/99/63/579839963.db2.gz VCLHGSIQZSCGRI-SNVBAGLBSA-N 1 2 326.378 1.119 20 30 EDEDLO Cc1ccc(S(=O)(=O)NN=C2C[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000752155946 579839964 /nfs/dbraw/zinc/83/99/64/579839964.db2.gz VCLHGSIQZSCGRI-SNVBAGLBSA-N 1 2 326.378 1.119 20 30 EDEDLO CC(CS(=O)(=O)c1ccccc1)N=NC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753933983 579891478 /nfs/dbraw/zinc/89/14/78/579891478.db2.gz DXVCALFOTTYGNE-HUUCEWRRSA-N 1 2 334.445 1.696 20 30 EDEDLO C[C@H]1CCN(c2cccc(S(N)(=O)=O)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000755003852 579917947 /nfs/dbraw/zinc/91/79/47/579917947.db2.gz VCFNPYQIKCBKBF-SWLSCSKDSA-N 1 2 345.428 1.490 20 30 EDEDLO CNC(=O)CNC(=S)NN=Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000755708617 579933062 /nfs/dbraw/zinc/93/30/62/579933062.db2.gz HFKUBHOXYXPELQ-UHFFFAOYSA-N 1 2 332.433 1.002 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000755984573 579940221 /nfs/dbraw/zinc/94/02/21/579940221.db2.gz QBNXBIKWBGXCAX-GJZGRUSLSA-N 1 2 330.384 1.177 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1 ZINC000755984573 579940222 /nfs/dbraw/zinc/94/02/22/579940222.db2.gz QBNXBIKWBGXCAX-GJZGRUSLSA-N 1 2 330.384 1.177 20 30 EDEDLO C#CCOc1ccccc1CNc1ccn(CC[NH+]2CCOCC2)n1 ZINC000763471769 580100565 /nfs/dbraw/zinc/10/05/65/580100565.db2.gz HWOVFGZSZURHDB-UHFFFAOYSA-N 1 2 340.427 1.839 20 30 EDEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@H]1COC(=O)CSCC#N ZINC000765960900 580155063 /nfs/dbraw/zinc/15/50/63/580155063.db2.gz JHFRETSXCDHTIZ-LBPRGKRZSA-N 1 2 328.434 1.592 20 30 EDEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@H]1COC(=O)CSCC#N ZINC000765960900 580155064 /nfs/dbraw/zinc/15/50/64/580155064.db2.gz JHFRETSXCDHTIZ-LBPRGKRZSA-N 1 2 328.434 1.592 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NOCC(F)(F)F)CC2)cc1 ZINC000765990953 580156303 /nfs/dbraw/zinc/15/63/03/580156303.db2.gz UYNYHVKRYSAXJX-UHFFFAOYSA-N 1 2 342.321 1.879 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCCCc3cc(OC)ccc32)CC1 ZINC000766270143 580163370 /nfs/dbraw/zinc/16/33/70/580163370.db2.gz QNOPXCFKWAQKLV-UHFFFAOYSA-N 1 2 341.455 1.615 20 30 EDEDLO C#CCCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000766896649 580176469 /nfs/dbraw/zinc/17/64/69/580176469.db2.gz QDZFUHQUZLSGFO-UHFFFAOYSA-N 1 2 332.469 1.895 20 30 EDEDLO C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)Nc1cccc(C#N)c1 ZINC000772039786 580301362 /nfs/dbraw/zinc/30/13/62/580301362.db2.gz YYMKTXHKZRZTCG-WFASDCNBSA-N 1 2 347.440 1.866 20 30 EDEDLO C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)Nc1cccc(C#N)c1 ZINC000772039786 580301363 /nfs/dbraw/zinc/30/13/63/580301363.db2.gz YYMKTXHKZRZTCG-WFASDCNBSA-N 1 2 347.440 1.866 20 30 EDEDLO C[N@H+](CC(=O)OCC(=O)N(CC#N)c1ccccc1)[C@H]1CCSC1 ZINC000772051449 580301928 /nfs/dbraw/zinc/30/19/28/580301928.db2.gz TXLWJXURLNMFMF-HNNXBMFYSA-N 1 2 347.440 1.524 20 30 EDEDLO C[N@@H+](CC(=O)OCC(=O)N(CC#N)c1ccccc1)[C@H]1CCSC1 ZINC000772051449 580301929 /nfs/dbraw/zinc/30/19/29/580301929.db2.gz TXLWJXURLNMFMF-HNNXBMFYSA-N 1 2 347.440 1.524 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCCO1 ZINC000773557916 580341244 /nfs/dbraw/zinc/34/12/44/580341244.db2.gz MHZSBOUZNNGLGG-IAGOWNOFSA-N 1 2 328.416 1.090 20 30 EDEDLO CC(C)(CNN=C1CC[NH+](CCC(F)(F)F)CC1)S(C)(=O)=O ZINC000774477853 580363089 /nfs/dbraw/zinc/36/30/89/580363089.db2.gz OONQHOGOTBVSNM-UHFFFAOYSA-N 1 2 343.415 1.803 20 30 EDEDLO C#C[C@@H]([NH2+]CC(=O)Nc1nnc(CCCCC)s1)[C@@H]1CCCO1 ZINC000775793621 580400833 /nfs/dbraw/zinc/40/08/33/580400833.db2.gz VZNNLJDTKYYPMN-OLZOCXBDSA-N 1 2 336.461 1.980 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000781085511 580541580 /nfs/dbraw/zinc/54/15/80/580541580.db2.gz OMUKAMKWDQQKQZ-JKSUJKDBSA-N 1 2 326.485 1.710 20 30 EDEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000781571436 580552635 /nfs/dbraw/zinc/55/26/35/580552635.db2.gz KTJWOAPOAMSVPY-HNNXBMFYSA-N 1 2 346.456 1.719 20 30 EDEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000781571436 580552636 /nfs/dbraw/zinc/55/26/36/580552636.db2.gz KTJWOAPOAMSVPY-HNNXBMFYSA-N 1 2 346.456 1.719 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1sccc1Cl ZINC000782127095 580566927 /nfs/dbraw/zinc/56/69/27/580566927.db2.gz CDWGXPAEWQDBDF-UHFFFAOYSA-N 1 2 332.882 1.532 20 30 EDEDLO C#CCOCCNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000784348713 580619139 /nfs/dbraw/zinc/61/91/39/580619139.db2.gz LIINCBSMPKGKIS-UHFFFAOYSA-N 1 2 340.427 1.965 20 30 EDEDLO N#Cc1c(NCCc2cn3ccccc3[nH+]2)cccc1S(N)(=O)=O ZINC000784556913 580623854 /nfs/dbraw/zinc/62/38/54/580623854.db2.gz LCHXDQGHZINXHR-UHFFFAOYSA-N 1 2 341.396 1.508 20 30 EDEDLO C#CCCCNC(=O)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000785607152 580648142 /nfs/dbraw/zinc/64/81/42/580648142.db2.gz VDAFZLBEURFHPY-OAHLLOKOSA-N 1 2 342.374 1.294 20 30 EDEDLO COc1cccc([C@H](C#N)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1OC ZINC000786896995 580683149 /nfs/dbraw/zinc/68/31/49/580683149.db2.gz FFJKPJKEBWUHII-OCCSQVGLSA-N 1 2 340.383 1.844 20 30 EDEDLO C[C@@H](OC(=O)[C@H](c1ccccc1)[NH+](C)C)C(=O)NC1(C#N)CCC1 ZINC000787785135 580705690 /nfs/dbraw/zinc/70/56/90/580705690.db2.gz ZYNTWMZKWYGZPN-HIFRSBDPSA-N 1 2 329.400 1.783 20 30 EDEDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nnnn1C1CC1 ZINC000790553561 580772878 /nfs/dbraw/zinc/77/28/78/580772878.db2.gz CUYCGRSYGIGSTP-IAQYHMDHSA-N 1 2 337.387 1.336 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C[C@@H](C(F)F)CC3=O)C2)nc1 ZINC000793593592 580848502 /nfs/dbraw/zinc/84/85/02/580848502.db2.gz VTXBKPQOGBEJQA-QWHCGFSZSA-N 1 2 336.342 1.477 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C[C@@H](C(F)F)CC3=O)C2)nc1 ZINC000793593592 580848503 /nfs/dbraw/zinc/84/85/03/580848503.db2.gz VTXBKPQOGBEJQA-QWHCGFSZSA-N 1 2 336.342 1.477 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3C[C@H](C4CC4)CC3=O)C2)nc1 ZINC000793594364 580848656 /nfs/dbraw/zinc/84/86/56/580848656.db2.gz YQXKMEOXNKLVKB-CVEARBPZSA-N 1 2 326.400 1.622 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3C[C@H](C4CC4)CC3=O)C2)nc1 ZINC000793594364 580848657 /nfs/dbraw/zinc/84/86/57/580848657.db2.gz YQXKMEOXNKLVKB-CVEARBPZSA-N 1 2 326.400 1.622 20 30 EDEDLO CN(C)c1ccc(C=[NH+]N[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000794448535 580893059 /nfs/dbraw/zinc/89/30/59/580893059.db2.gz PCMZNZYAKZWJSE-LLVKDONJSA-N 1 2 349.378 1.882 20 30 EDEDLO Cc1ccc(O)c(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 ZINC000798274520 580992786 /nfs/dbraw/zinc/99/27/86/580992786.db2.gz GEELNAWKRKPOET-OCCSQVGLSA-N 1 2 332.404 1.944 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000798428219 580997097 /nfs/dbraw/zinc/99/70/97/580997097.db2.gz QFZRXZXJFHIIFB-IRXDYDNUSA-N 1 2 340.427 1.777 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCN(c2c[nH+]ccc2C)CC1)[C@H]1CCCO1 ZINC000798459826 580998210 /nfs/dbraw/zinc/99/82/10/580998210.db2.gz LZTIJHMCOCXYFL-NVXWUHKLSA-N 1 2 328.416 1.402 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@H](c3cccc(F)c3)CC2=O)C1=O ZINC000799142181 581018551 /nfs/dbraw/zinc/01/85/51/581018551.db2.gz MATLJRJQFVJRPR-WBVHZDCISA-N 1 2 345.418 1.818 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@H](c3cccc(F)c3)CC2=O)C1=O ZINC000799142181 581018552 /nfs/dbraw/zinc/01/85/52/581018552.db2.gz MATLJRJQFVJRPR-WBVHZDCISA-N 1 2 345.418 1.818 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@H](c3ccc(C)cc3)CC2=O)C1=O ZINC000799144485 581018758 /nfs/dbraw/zinc/01/87/58/581018758.db2.gz ZLKDBQKXYOTDOK-QZTJIDSGSA-N 1 2 341.455 1.987 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@H](c3ccc(C)cc3)CC2=O)C1=O ZINC000799144485 581018759 /nfs/dbraw/zinc/01/87/59/581018759.db2.gz ZLKDBQKXYOTDOK-QZTJIDSGSA-N 1 2 341.455 1.987 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Cl)nc2Cl)CC1 ZINC000801508543 581078522 /nfs/dbraw/zinc/07/85/22/581078522.db2.gz HOKSMPXIWIKXSE-UHFFFAOYSA-N 1 2 343.258 1.808 20 30 EDEDLO CCOc1ccccc1C(=O)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801912871 581087769 /nfs/dbraw/zinc/08/77/69/581087769.db2.gz HGISKKBXWHERFZ-HNNXBMFYSA-N 1 2 331.416 1.772 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000891607640 591146186 /nfs/dbraw/zinc/14/61/86/591146186.db2.gz VTUPJGJUOCWKGF-INIZCTEOSA-N 1 2 327.384 1.042 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000891607640 591146189 /nfs/dbraw/zinc/14/61/89/591146189.db2.gz VTUPJGJUOCWKGF-INIZCTEOSA-N 1 2 327.384 1.042 20 30 EDEDLO N#Cc1cc(N2CC([NH+]3CCOCC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000894369030 591292470 /nfs/dbraw/zinc/29/24/70/591292470.db2.gz ZZPOMKBQFXWWBB-UHFFFAOYSA-N 1 2 339.355 1.535 20 30 EDEDLO C#CCSCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000895943505 591310325 /nfs/dbraw/zinc/31/03/25/591310325.db2.gz KYVOPEFAHVBAEM-UHFFFAOYSA-N 1 2 348.468 1.380 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)NCC#CCO)c1ccc(F)c(F)c1 ZINC000896145692 591357685 /nfs/dbraw/zinc/35/76/85/591357685.db2.gz GPSZUWYLJFLNOA-CQSZACIVSA-N 1 2 334.326 1.083 20 30 EDEDLO CC(C)(CNC(=O)CNC(=O)c1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000898903005 591587386 /nfs/dbraw/zinc/58/73/86/591587386.db2.gz YVYLSTRRUFAWTD-UHFFFAOYSA-N 1 2 325.372 1.036 20 30 EDEDLO CCCC[C@H](ON=C(C)C)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899060244 591664929 /nfs/dbraw/zinc/66/49/29/591664929.db2.gz GRJHYTQAOBCWTG-HNNXBMFYSA-N 1 2 341.452 1.523 20 30 EDEDLO CCCC[C@H](ON=C(C)C)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899060244 591664931 /nfs/dbraw/zinc/66/49/31/591664931.db2.gz GRJHYTQAOBCWTG-HNNXBMFYSA-N 1 2 341.452 1.523 20 30 EDEDLO C#CCC1(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000895242345 591677917 /nfs/dbraw/zinc/67/79/17/591677917.db2.gz CLSUOIGDYKRJPP-SFHVURJKSA-N 1 2 342.439 1.576 20 30 EDEDLO C#CCC1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCOCC1 ZINC000895242345 591677918 /nfs/dbraw/zinc/67/79/18/591677918.db2.gz CLSUOIGDYKRJPP-SFHVURJKSA-N 1 2 342.439 1.576 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(CCC(=O)OC)ccc1O ZINC000899242246 591743249 /nfs/dbraw/zinc/74/32/49/591743249.db2.gz UWDUHMYDHHPCBW-HNNXBMFYSA-N 1 2 330.384 1.534 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(CCC(=O)OC)ccc1O ZINC000899242246 591743250 /nfs/dbraw/zinc/74/32/50/591743250.db2.gz UWDUHMYDHHPCBW-HNNXBMFYSA-N 1 2 330.384 1.534 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(N=S(C)(C)=O)c2)CC1 ZINC000902149080 591929425 /nfs/dbraw/zinc/92/94/25/591929425.db2.gz ICSMPPRAFAQFHI-UHFFFAOYSA-N 1 2 348.472 1.235 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@H](c3ccc(F)cc3)CC2=O)C1=O ZINC000902249623 591960648 /nfs/dbraw/zinc/96/06/48/591960648.db2.gz RCNGBMUJMCRVQV-WBVHZDCISA-N 1 2 345.418 1.818 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@H](c3ccc(F)cc3)CC2=O)C1=O ZINC000902249623 591960650 /nfs/dbraw/zinc/96/06/50/591960650.db2.gz RCNGBMUJMCRVQV-WBVHZDCISA-N 1 2 345.418 1.818 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1ccc2c(c1)CCCO2 ZINC000901130844 592249933 /nfs/dbraw/zinc/24/99/33/592249933.db2.gz YEMUHSUVMJCXRP-UHFFFAOYSA-N 1 2 348.472 1.142 20 30 EDEDLO COC(=O)[C@@H](C)Oc1ccccc1C=NNCCCn1cc[nH+]c1 ZINC000901261377 592316095 /nfs/dbraw/zinc/31/60/95/592316095.db2.gz FZTKGWFUFPSNQG-CQSZACIVSA-N 1 2 330.388 1.837 20 30 EDEDLO C=CCNC(=O)Cc1noc([C@@H]([NH3+])c2ccccc2C(F)(F)F)n1 ZINC000904107522 592427699 /nfs/dbraw/zinc/42/76/99/592427699.db2.gz SIMSDCNJPFCHBZ-ZDUSSCGKSA-N 1 2 340.305 1.981 20 30 EDEDLO C=CCCC[C@H]1NC(=O)N(Cc2ccc[nH+]c2N2CCOCC2)C1=O ZINC000904141201 592438016 /nfs/dbraw/zinc/43/80/16/592438016.db2.gz CFWKLQCZRPSZFW-OAHLLOKOSA-N 1 2 344.415 1.695 20 30 EDEDLO C=C(Br)CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906427645 592822120 /nfs/dbraw/zinc/82/21/20/592822120.db2.gz ZGFIBNVUJIXIOL-UHFFFAOYSA-N 1 2 342.237 1.459 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1C#N ZINC000912378862 593089139 /nfs/dbraw/zinc/08/91/39/593089139.db2.gz KTZCUZZDITUXLW-INIZCTEOSA-N 1 2 332.429 1.595 20 30 EDEDLO O=C(N[C@H]1CCN(O)C1=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000816694803 593541569 /nfs/dbraw/zinc/54/15/69/593541569.db2.gz OAKDZHPVUVCGGS-LSDHHAIUSA-N 1 2 335.379 1.287 20 30 EDEDLO O=C(N[C@H]1CCN(O)C1=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000816694803 593541570 /nfs/dbraw/zinc/54/15/70/593541570.db2.gz OAKDZHPVUVCGGS-LSDHHAIUSA-N 1 2 335.379 1.287 20 30 EDEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)c1ccc(F)cc1 ZINC000820464848 593820512 /nfs/dbraw/zinc/82/05/12/593820512.db2.gz WOTNZGDGEITZRA-ZQIUZPCESA-N 1 2 333.407 1.908 20 30 EDEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)c1ccc(F)cc1 ZINC000820464848 593820513 /nfs/dbraw/zinc/82/05/13/593820513.db2.gz WOTNZGDGEITZRA-ZQIUZPCESA-N 1 2 333.407 1.908 20 30 EDEDLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000826175863 594363840 /nfs/dbraw/zinc/36/38/40/594363840.db2.gz STDVYTLAXFQTHQ-GFCCVEGCSA-N 1 2 342.403 1.878 20 30 EDEDLO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000826175863 594363843 /nfs/dbraw/zinc/36/38/43/594363843.db2.gz STDVYTLAXFQTHQ-GFCCVEGCSA-N 1 2 342.403 1.878 20 30 EDEDLO C#CC1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000830310996 594373133 /nfs/dbraw/zinc/37/31/33/594373133.db2.gz AUMJYZDQEPFUOL-UHFFFAOYSA-N 1 2 331.328 1.607 20 30 EDEDLO Fc1cc(-c2nn[nH]n2)ccc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000826371754 594448853 /nfs/dbraw/zinc/44/88/53/594448853.db2.gz SJTQXSQOMJGLFS-CHWSQXEVSA-N 1 2 328.355 1.200 20 30 EDEDLO COc1cc(C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)ccc1C#N ZINC000828741892 594492012 /nfs/dbraw/zinc/49/20/12/594492012.db2.gz BUKOJNHNJYEARI-LBPRGKRZSA-N 1 2 344.440 1.816 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000831686818 594692554 /nfs/dbraw/zinc/69/25/54/594692554.db2.gz AMQSAEWTFQWZJV-HNNXBMFYSA-N 1 2 343.427 1.779 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)cc1F ZINC000831691360 594693034 /nfs/dbraw/zinc/69/30/34/594693034.db2.gz MYEMLPAAMFKKRN-UHFFFAOYSA-N 1 2 334.347 1.891 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)c(F)c1 ZINC000831695184 594693547 /nfs/dbraw/zinc/69/35/47/594693547.db2.gz OITKBSYECQRRSR-UHFFFAOYSA-N 1 2 334.347 1.891 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000831698854 594693794 /nfs/dbraw/zinc/69/37/94/594693794.db2.gz BHEMBLPFGALJGQ-HNNXBMFYSA-N 1 2 327.384 1.719 20 30 EDEDLO NC(C[NH+]1CCSCC1)=NOCC(=O)N(C1CC1)C1CCCC1 ZINC000121499928 594879829 /nfs/dbraw/zinc/87/98/29/594879829.db2.gz KUPLQPVPSIMIAH-UHFFFAOYSA-N 1 2 340.493 1.258 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000843675647 595165830 /nfs/dbraw/zinc/16/58/30/595165830.db2.gz MAYYYXUCZRCRFG-INIZCTEOSA-N 1 2 328.460 1.894 20 30 EDEDLO CC(CCCc1cccnc1)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000834921065 595239618 /nfs/dbraw/zinc/23/96/18/595239618.db2.gz WVLPOVXICPPVAJ-UHFFFAOYSA-N 1 2 349.504 1.577 20 30 EDEDLO C#Cc1ccccc1CC(=O)O[C@H](COC)C[N@@H+]1CCO[C@H](C)C1 ZINC000842962068 595243574 /nfs/dbraw/zinc/24/35/74/595243574.db2.gz CNFZZHHCIFCBAO-QAPCUYQASA-N 1 2 331.412 1.489 20 30 EDEDLO C#Cc1ccccc1CC(=O)O[C@H](COC)C[N@H+]1CCO[C@H](C)C1 ZINC000842962068 595243576 /nfs/dbraw/zinc/24/35/76/595243576.db2.gz CNFZZHHCIFCBAO-QAPCUYQASA-N 1 2 331.412 1.489 20 30 EDEDLO Cn1ncc2c1nc(C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1)[nH]c2=O ZINC000844365539 595331050 /nfs/dbraw/zinc/33/10/50/595331050.db2.gz GSNXSKAFDMLRMC-CQSZACIVSA-N 1 2 338.371 1.106 20 30 EDEDLO Cn1ncc2c1nc(C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)[nH]c2=O ZINC000844365539 595331053 /nfs/dbraw/zinc/33/10/53/595331053.db2.gz GSNXSKAFDMLRMC-CQSZACIVSA-N 1 2 338.371 1.106 20 30 EDEDLO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844529160 595355833 /nfs/dbraw/zinc/35/58/33/595355833.db2.gz OMRHWOQTSXCXLE-IEBWSBKVSA-N 1 2 342.443 1.482 20 30 EDEDLO C[C@@H](O)C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000847095410 595363175 /nfs/dbraw/zinc/36/31/75/595363175.db2.gz PWULBOODGJSVPW-BXUZGUMPSA-N 1 2 340.383 1.357 20 30 EDEDLO C[C@@H](O)C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000847095410 595363176 /nfs/dbraw/zinc/36/31/76/595363176.db2.gz PWULBOODGJSVPW-BXUZGUMPSA-N 1 2 340.383 1.357 20 30 EDEDLO CS(=O)(=O)c1cccc(Cl)c1C=NNCCCn1cc[nH+]c1 ZINC000848417668 595375596 /nfs/dbraw/zinc/37/55/96/595375596.db2.gz CUKKOMCPPZIKDJ-UHFFFAOYSA-N 1 2 340.836 1.954 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)C1=O ZINC000852756257 595527532 /nfs/dbraw/zinc/52/75/32/595527532.db2.gz AVXMJCFFMYGHCB-GRYCIOLGSA-N 1 2 333.354 1.162 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)C1=O ZINC000852756257 595527533 /nfs/dbraw/zinc/52/75/33/595527533.db2.gz AVXMJCFFMYGHCB-GRYCIOLGSA-N 1 2 333.354 1.162 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cnc(SC)n2-c2ccccc2)CC1 ZINC000112920085 595563497 /nfs/dbraw/zinc/56/34/97/595563497.db2.gz KNXLBLZKEMPLEC-UHFFFAOYSA-N 1 2 340.452 1.985 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)CC1 ZINC000112920781 595568912 /nfs/dbraw/zinc/56/89/12/595568912.db2.gz YLVJVGUREXAUKI-UHFFFAOYSA-N 1 2 345.468 1.134 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)OC)CC1 ZINC000112920663 595569028 /nfs/dbraw/zinc/56/90/28/595569028.db2.gz LRWIFCDHFIBGMI-CQSZACIVSA-N 1 2 346.452 1.731 20 30 EDEDLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000855134979 595607939 /nfs/dbraw/zinc/60/79/39/595607939.db2.gz DBDLGMZSMSPXSI-ZDUSSCGKSA-N 1 2 335.408 1.955 20 30 EDEDLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000855134979 595607940 /nfs/dbraw/zinc/60/79/40/595607940.db2.gz DBDLGMZSMSPXSI-ZDUSSCGKSA-N 1 2 335.408 1.955 20 30 EDEDLO Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)nc1 ZINC000858032666 595687416 /nfs/dbraw/zinc/68/74/16/595687416.db2.gz MMGHMSINWYMSJY-MAUKXSAKSA-N 1 2 330.432 1.898 20 30 EDEDLO Cc1ccc(O[C@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)nc1 ZINC000858032666 595687417 /nfs/dbraw/zinc/68/74/17/595687417.db2.gz MMGHMSINWYMSJY-MAUKXSAKSA-N 1 2 330.432 1.898 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000858124509 595706022 /nfs/dbraw/zinc/70/60/22/595706022.db2.gz WWNHGTNVUSJYRY-HOTGVXAUSA-N 1 2 326.400 1.847 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000858159126 595715585 /nfs/dbraw/zinc/71/55/85/595715585.db2.gz NRKRANSICGFKBA-AWEZNQCLSA-N 1 2 330.363 1.849 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000853320391 595734660 /nfs/dbraw/zinc/73/46/60/595734660.db2.gz YESRDBYAOJWRSM-AWEZNQCLSA-N 1 2 337.445 1.379 20 30 EDEDLO CO[C@@H](CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C1CCC1 ZINC000853657262 595848485 /nfs/dbraw/zinc/84/84/85/595848485.db2.gz BSACNAJCENWXRW-SFHVURJKSA-N 1 2 347.459 1.971 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc3c2OCCCO3)CC1 ZINC000853736481 595867362 /nfs/dbraw/zinc/86/73/62/595867362.db2.gz CNMBEURFGXVHHL-UHFFFAOYSA-N 1 2 330.384 1.004 20 30 EDEDLO C#CC[C@H](COC)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000858861492 595908496 /nfs/dbraw/zinc/90/84/96/595908496.db2.gz ZPPOJFGBUNBKFV-OAHLLOKOSA-N 1 2 333.388 1.877 20 30 EDEDLO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000856594775 596026059 /nfs/dbraw/zinc/02/60/59/596026059.db2.gz JPXWMFZUIXORDX-HNNXBMFYSA-N 1 2 333.417 1.530 20 30 EDEDLO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3nc(C#N)cs3)C2)n1 ZINC000856594775 596026062 /nfs/dbraw/zinc/02/60/62/596026062.db2.gz JPXWMFZUIXORDX-HNNXBMFYSA-N 1 2 333.417 1.530 20 30 EDEDLO C#Cc1ccc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)nc1 ZINC000854340292 596042728 /nfs/dbraw/zinc/04/27/28/596042728.db2.gz HKKNECJPJVXBRS-UHFFFAOYSA-N 1 2 325.372 1.362 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)CC1 ZINC000116762812 596107952 /nfs/dbraw/zinc/10/79/52/596107952.db2.gz NYFGCTOHJPVRGI-HXUWFJFHSA-N 1 2 339.439 1.459 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1C#N ZINC000852297007 596115355 /nfs/dbraw/zinc/11/53/55/596115355.db2.gz DRTRLYZNFCLATL-UHFFFAOYSA-N 1 2 325.368 1.715 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)c1C#N ZINC000852297007 596115357 /nfs/dbraw/zinc/11/53/57/596115357.db2.gz DRTRLYZNFCLATL-UHFFFAOYSA-N 1 2 325.368 1.715 20 30 EDEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C1 ZINC000852329880 596127812 /nfs/dbraw/zinc/12/78/12/596127812.db2.gz LMRBGMXLTJCLCX-SFHVURJKSA-N 1 2 334.383 1.475 20 30 EDEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2cc(=O)n3nccc3[nH]2)C1 ZINC000852329880 596127814 /nfs/dbraw/zinc/12/78/14/596127814.db2.gz LMRBGMXLTJCLCX-SFHVURJKSA-N 1 2 334.383 1.475 20 30 EDEDLO COc1cc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c32)c(F)cc1C#N ZINC000861874296 596132562 /nfs/dbraw/zinc/13/25/62/596132562.db2.gz JELSRCKUCCJCPV-NSHDSACASA-N 1 2 343.318 1.102 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000859578925 596137313 /nfs/dbraw/zinc/13/73/13/596137313.db2.gz ZMXRRAFGCZRBML-KUHUBIRLSA-N 1 2 326.396 1.624 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000859578925 596137315 /nfs/dbraw/zinc/13/73/15/596137315.db2.gz ZMXRRAFGCZRBML-KUHUBIRLSA-N 1 2 326.396 1.624 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000869105606 596410978 /nfs/dbraw/zinc/41/09/78/596410978.db2.gz WEPOLQICRXXUHT-SJLPKXTDSA-N 1 2 339.443 1.555 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000869105606 596410981 /nfs/dbraw/zinc/41/09/81/596410981.db2.gz WEPOLQICRXXUHT-SJLPKXTDSA-N 1 2 339.443 1.555 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000869247671 596461710 /nfs/dbraw/zinc/46/17/10/596461710.db2.gz MYHJWPYPFDGLMX-CYBMUJFWSA-N 1 2 344.402 1.767 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000869247671 596461713 /nfs/dbraw/zinc/46/17/13/596461713.db2.gz MYHJWPYPFDGLMX-CYBMUJFWSA-N 1 2 344.402 1.767 20 30 EDEDLO N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867712052 596510102 /nfs/dbraw/zinc/51/01/02/596510102.db2.gz ZZNBKYSKZYHNGD-ZDUSSCGKSA-N 1 2 329.372 1.410 20 30 EDEDLO N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867712052 596510104 /nfs/dbraw/zinc/51/01/04/596510104.db2.gz ZZNBKYSKZYHNGD-ZDUSSCGKSA-N 1 2 329.372 1.410 20 30 EDEDLO C#Cc1cncc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c1 ZINC000863497670 596599719 /nfs/dbraw/zinc/59/97/19/596599719.db2.gz ZNFNHGDMFJICHA-GOSISDBHSA-N 1 2 336.395 1.089 20 30 EDEDLO C#Cc1cncc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c1 ZINC000863497670 596599720 /nfs/dbraw/zinc/59/97/20/596599720.db2.gz ZNFNHGDMFJICHA-GOSISDBHSA-N 1 2 336.395 1.089 20 30 EDEDLO CN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)Cc2ccc[nH+]c21 ZINC000867899245 596607665 /nfs/dbraw/zinc/60/76/65/596607665.db2.gz VSBCBOQZDAMZQB-UHFFFAOYSA-N 1 2 342.424 1.735 20 30 EDEDLO N#CCCN1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000868019767 596657033 /nfs/dbraw/zinc/65/70/33/596657033.db2.gz BQXIDYREWMDYLP-UHFFFAOYSA-N 1 2 339.403 1.008 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000865795752 596686582 /nfs/dbraw/zinc/68/65/82/596686582.db2.gz MMJYWYBZQHUDAE-IRXDYDNUSA-N 1 2 341.455 1.691 20 30 EDEDLO C[C@](O)(C[C@@H](O)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1)C1CC1 ZINC000863970508 596738324 /nfs/dbraw/zinc/73/83/24/596738324.db2.gz SMJJHMTWPVGAFN-NEWSRXKRSA-N 1 2 329.444 1.851 20 30 EDEDLO C[C@](O)(C[C@@H](O)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)C1CC1 ZINC000863970508 596738325 /nfs/dbraw/zinc/73/83/25/596738325.db2.gz SMJJHMTWPVGAFN-NEWSRXKRSA-N 1 2 329.444 1.851 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(CCC(C)=O)cc2)CC1 ZINC000119945977 596797726 /nfs/dbraw/zinc/79/77/26/596797726.db2.gz WTBWRXWUHVTOSG-KRWDZBQOSA-N 1 2 342.439 1.753 20 30 EDEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2sccc2CC#N)CC1 ZINC000866290302 596849513 /nfs/dbraw/zinc/84/95/13/596849513.db2.gz QGDDRUSCASXFGY-LBPRGKRZSA-N 1 2 335.429 1.524 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNCC(F)(F)c1ccc(F)cc1F ZINC000872245240 596852080 /nfs/dbraw/zinc/85/20/80/596852080.db2.gz ADUKWJLKXYSGAI-GFCCVEGCSA-N 1 2 333.329 1.853 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNCC(F)(F)c1ccc(F)cc1F ZINC000872245240 596852083 /nfs/dbraw/zinc/85/20/83/596852083.db2.gz ADUKWJLKXYSGAI-GFCCVEGCSA-N 1 2 333.329 1.853 20 30 EDEDLO C=CCOCCNC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000868488185 596858488 /nfs/dbraw/zinc/85/84/88/596858488.db2.gz XJIQWAMFLPMWTO-GOSISDBHSA-N 1 2 347.459 1.698 20 30 EDEDLO C=CCOCCNC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000868488185 596858489 /nfs/dbraw/zinc/85/84/89/596858489.db2.gz XJIQWAMFLPMWTO-GOSISDBHSA-N 1 2 347.459 1.698 20 30 EDEDLO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cccc(C#N)c1O ZINC000866396012 596874965 /nfs/dbraw/zinc/87/49/65/596874965.db2.gz KLEVUUKTWVLPDS-IFXJQAMLSA-N 1 2 345.443 1.530 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000868538029 596877341 /nfs/dbraw/zinc/87/73/41/596877341.db2.gz MCUXBJQOOKMAJS-ROUUACIJSA-N 1 2 329.444 1.907 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000868538029 596877343 /nfs/dbraw/zinc/87/73/43/596877343.db2.gz MCUXBJQOOKMAJS-ROUUACIJSA-N 1 2 329.444 1.907 20 30 EDEDLO S=C(NC[C@H]1CCCO1)NN=C1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872330820 596881923 /nfs/dbraw/zinc/88/19/23/596881923.db2.gz WAVBZMXORQPVEK-YPMHNXCESA-N 1 2 328.507 1.197 20 30 EDEDLO S=C(NC[C@H]1CCCO1)NN=C1CCC[N@H+]2CCSC[C@@H]12 ZINC000872330820 596881924 /nfs/dbraw/zinc/88/19/24/596881924.db2.gz WAVBZMXORQPVEK-YPMHNXCESA-N 1 2 328.507 1.197 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2cc(C)on2)CC1 ZINC000874017451 596899001 /nfs/dbraw/zinc/89/90/01/596899001.db2.gz MANYVWGVIJUWEK-UHFFFAOYSA-N 1 2 342.447 1.676 20 30 EDEDLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(C#N)c1 ZINC000872457236 596917170 /nfs/dbraw/zinc/91/71/70/596917170.db2.gz OYSLGPRYNYFMCJ-INIZCTEOSA-N 1 2 349.456 1.352 20 30 EDEDLO COC(=O)c1ccc(=O)n(C[N@H+](C)CCc2cccc(C#N)c2)n1 ZINC000872705958 597039215 /nfs/dbraw/zinc/03/92/15/597039215.db2.gz KMVFIAHDJYHEKH-UHFFFAOYSA-N 1 2 326.356 1.034 20 30 EDEDLO COC(=O)c1ccc(=O)n(C[N@@H+](C)CCc2cccc(C#N)c2)n1 ZINC000872705958 597039219 /nfs/dbraw/zinc/03/92/19/597039219.db2.gz KMVFIAHDJYHEKH-UHFFFAOYSA-N 1 2 326.356 1.034 20 30 EDEDLO CC(C)N1C(=O)CN(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000872729348 597049194 /nfs/dbraw/zinc/04/91/94/597049194.db2.gz RAJLZTLBECLVFM-UHFFFAOYSA-N 1 2 341.415 1.310 20 30 EDEDLO CC[C@]1(C)CC(=O)N(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000872793109 597072308 /nfs/dbraw/zinc/07/23/08/597072308.db2.gz LCEQRQSXAHDSHL-GOSISDBHSA-N 1 2 327.432 1.681 20 30 EDEDLO CC(C)[C@H]1CCN(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1=O ZINC000872795762 597073721 /nfs/dbraw/zinc/07/37/21/597073721.db2.gz NNWCHHYJGWLPTR-QGZVFWFLSA-N 1 2 327.432 1.537 20 30 EDEDLO CCCCCCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000875020512 597246736 /nfs/dbraw/zinc/24/67/36/597246736.db2.gz PPIRFZICMYDSCT-UHFFFAOYSA-N 1 2 343.431 1.970 20 30 EDEDLO C=CC(C)(C)CCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000875289491 597369963 /nfs/dbraw/zinc/36/99/63/597369963.db2.gz IIOGCIZVTURFPS-OAHLLOKOSA-N 1 2 344.459 1.885 20 30 EDEDLO Cc1nccn1CCCN(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876894544 597374461 /nfs/dbraw/zinc/37/44/61/597374461.db2.gz UFAYBKDUYZFPSS-SFHVURJKSA-N 1 2 337.427 1.799 20 30 EDEDLO CCCCCCCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000875473680 597444188 /nfs/dbraw/zinc/44/41/88/597444188.db2.gz AIDGAZMALBAVBN-UHFFFAOYSA-N 1 2 327.469 1.300 20 30 EDEDLO CCCCCCCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000875473680 597444190 /nfs/dbraw/zinc/44/41/90/597444190.db2.gz AIDGAZMALBAVBN-UHFFFAOYSA-N 1 2 327.469 1.300 20 30 EDEDLO C#CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OC ZINC000877583313 597538757 /nfs/dbraw/zinc/53/87/57/597538757.db2.gz OLOXPWLVUMWXIP-CQSZACIVSA-N 1 2 332.360 1.113 20 30 EDEDLO CC1(C)OC[C@@H]([C@@H]2CN(Cc3c[nH+]c4ccc(C#N)cn34)CCO2)O1 ZINC000877784658 597556047 /nfs/dbraw/zinc/55/60/47/597556047.db2.gz JTPWNUWCBJYFFM-HOTGVXAUSA-N 1 2 342.399 1.558 20 30 EDEDLO C#C[C@](C)(CC)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000878131956 597580653 /nfs/dbraw/zinc/58/06/53/597580653.db2.gz GKAHYVZYIMKCMQ-LJQANCHMSA-N 1 2 342.443 1.998 20 30 EDEDLO C#CC[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)C1 ZINC000888897624 597744952 /nfs/dbraw/zinc/74/49/52/597744952.db2.gz UWCBADJPTTYMAD-MUYFXNHWSA-N 1 2 349.475 1.311 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880577677 597968799 /nfs/dbraw/zinc/96/87/99/597968799.db2.gz BJJVMZYMEIYROD-DLBZAZTESA-N 1 2 344.411 1.636 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880577677 597968800 /nfs/dbraw/zinc/96/88/00/597968800.db2.gz BJJVMZYMEIYROD-DLBZAZTESA-N 1 2 344.411 1.636 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1Cc1ccccc1C ZINC000884122035 598000806 /nfs/dbraw/zinc/00/08/06/598000806.db2.gz FOTFHUBUIWYVLF-SJORKVTESA-N 1 2 330.428 1.975 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)c1ccc(F)cc1F ZINC000884147876 598008297 /nfs/dbraw/zinc/00/82/97/598008297.db2.gz VWBDZRNCEXHIQY-UONOGXRCSA-N 1 2 326.343 1.979 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000884180650 598017198 /nfs/dbraw/zinc/01/71/98/598017198.db2.gz GENUGQVLZOSABO-INIZCTEOSA-N 1 2 345.443 1.692 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)c1nc(C)c(C)s1 ZINC000884224079 598035029 /nfs/dbraw/zinc/03/50/29/598035029.db2.gz GWUJAQZNFCIKJH-NSHDSACASA-N 1 2 325.434 1.558 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2cccc(Br)c2)nn1 ZINC000881405973 598139866 /nfs/dbraw/zinc/13/98/66/598139866.db2.gz GDMHSRYSJWJKNU-HNNXBMFYSA-N 1 2 349.232 1.887 20 30 EDEDLO C=C(C)C(C)(C)C(=O)NCC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060464043 695244753 /nfs/dbraw/zinc/24/47/53/695244753.db2.gz NESCGVXNNDMCSV-AWEZNQCLSA-N 1 2 332.448 1.909 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](NC(=O)CC)[C@@H]2C)c1 ZINC000992908400 695444630 /nfs/dbraw/zinc/44/46/30/695444630.db2.gz DDKKQRKACMMJQJ-WMLDXEAASA-N 1 2 327.428 1.986 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](NC(=O)CC)[C@@H]2C)c1 ZINC000992908400 695444633 /nfs/dbraw/zinc/44/46/33/695444633.db2.gz DDKKQRKACMMJQJ-WMLDXEAASA-N 1 2 327.428 1.986 20 30 EDEDLO C#CCOc1ccc(C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)cc1 ZINC001031067104 695449978 /nfs/dbraw/zinc/44/99/78/695449978.db2.gz RMRBTLDKZAOBAL-SFHVURJKSA-N 1 2 328.412 1.682 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001031087988 695494574 /nfs/dbraw/zinc/49/45/74/695494574.db2.gz FEMBLZPMAGTZDV-KSZLIROESA-N 1 2 330.428 1.502 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993282147 695904243 /nfs/dbraw/zinc/90/42/43/695904243.db2.gz PQOMDUOCZQAQEH-CJNGLKHVSA-N 1 2 338.415 1.470 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCC[N@H+]1Cc1ccccc1C#N ZINC000993282147 695904245 /nfs/dbraw/zinc/90/42/45/695904245.db2.gz PQOMDUOCZQAQEH-CJNGLKHVSA-N 1 2 338.415 1.470 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccn(CCOC)n2)[C@H]1C ZINC000993574332 696228826 /nfs/dbraw/zinc/22/88/26/696228826.db2.gz NHXPCZSFZZCTCV-ZIAGYGMSSA-N 1 2 340.855 1.865 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CCOC)n2)[C@H]1C ZINC000993574332 696228828 /nfs/dbraw/zinc/22/88/28/696228828.db2.gz NHXPCZSFZZCTCV-ZIAGYGMSSA-N 1 2 340.855 1.865 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H]1C ZINC000994013627 696492466 /nfs/dbraw/zinc/49/24/66/696492466.db2.gz WUHZADBRJGANJQ-CHWSQXEVSA-N 1 2 338.839 1.598 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H]1C ZINC000994013627 696492467 /nfs/dbraw/zinc/49/24/67/696492467.db2.gz WUHZADBRJGANJQ-CHWSQXEVSA-N 1 2 338.839 1.598 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnn(CCOC)c2)[C@@H]1C ZINC000994334883 696749123 /nfs/dbraw/zinc/74/91/23/696749123.db2.gz AVHNVWXZLOPJNI-DZGCQCFKSA-N 1 2 340.855 1.865 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CCOC)c2)[C@@H]1C ZINC000994334883 696749126 /nfs/dbraw/zinc/74/91/26/696749126.db2.gz AVHNVWXZLOPJNI-DZGCQCFKSA-N 1 2 340.855 1.865 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H]1C ZINC000994518830 696998536 /nfs/dbraw/zinc/99/85/36/696998536.db2.gz MOVMMUDMRZBESE-AAEUAGOBSA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@@H]1C ZINC000994518830 696998538 /nfs/dbraw/zinc/99/85/38/696998538.db2.gz MOVMMUDMRZBESE-AAEUAGOBSA-N 1 2 336.823 1.516 20 30 EDEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060728863 697251574 /nfs/dbraw/zinc/25/15/74/697251574.db2.gz ARNJEUQSCKTFKE-WKILWMFISA-N 1 2 344.459 1.793 20 30 EDEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060728863 697251576 /nfs/dbraw/zinc/25/15/76/697251576.db2.gz ARNJEUQSCKTFKE-WKILWMFISA-N 1 2 344.459 1.793 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)[nH]n1 ZINC001031562767 697252122 /nfs/dbraw/zinc/25/21/22/697252122.db2.gz ZHUUFCIRWBVUIH-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060728908 697252421 /nfs/dbraw/zinc/25/24/21/697252421.db2.gz CLYNAKOXKWQYFS-WKILWMFISA-N 1 2 330.432 1.334 20 30 EDEDLO Cc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)co1 ZINC001031628096 697367332 /nfs/dbraw/zinc/36/73/32/697367332.db2.gz XQAJYHBTLUFSSA-UHFFFAOYSA-N 1 2 328.347 1.856 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921323764 697565019 /nfs/dbraw/zinc/56/50/19/697565019.db2.gz NDZGMLMFQWKQEV-KGLIPLIRSA-N 1 2 337.470 1.416 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921323764 697565022 /nfs/dbraw/zinc/56/50/22/697565022.db2.gz NDZGMLMFQWKQEV-KGLIPLIRSA-N 1 2 337.470 1.416 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cnc2Cl)CC1 ZINC000921436749 697612398 /nfs/dbraw/zinc/61/23/98/697612398.db2.gz BJXNPFQTMFICGT-UHFFFAOYSA-N 1 2 348.255 1.764 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3ncccn3)C2)ccc1F ZINC001032065331 697741337 /nfs/dbraw/zinc/74/13/37/697741337.db2.gz ZJMOMOIUCDMEDY-UHFFFAOYSA-N 1 2 325.347 1.349 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000943341661 698161354 /nfs/dbraw/zinc/16/13/54/698161354.db2.gz CXKKDYXEDWYMRU-QAPCUYQASA-N 1 2 332.448 1.983 20 30 EDEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccon3)C[C@H]2C)nn1 ZINC000943498450 698444128 /nfs/dbraw/zinc/44/41/28/698444128.db2.gz PSLBNIJJQOZWMB-UKRRQHHQSA-N 1 2 344.419 1.483 20 30 EDEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccon3)C[C@H]2C)nn1 ZINC000943498450 698444131 /nfs/dbraw/zinc/44/41/31/698444131.db2.gz PSLBNIJJQOZWMB-UKRRQHHQSA-N 1 2 344.419 1.483 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000068444539 698600099 /nfs/dbraw/zinc/60/00/99/698600099.db2.gz HSESBVABDHTMGK-UHFFFAOYSA-N 1 2 327.453 1.959 20 30 EDEDLO C=CCn1cccc1C(=O)N(C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000938779618 698680208 /nfs/dbraw/zinc/68/02/08/698680208.db2.gz DMWOJFJGFTYUBL-OAHLLOKOSA-N 1 2 341.415 1.244 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cnc4cnccc4c3)CC2)C1 ZINC000941487554 701555995 /nfs/dbraw/zinc/55/59/95/701555995.db2.gz NDHNEMQYQOBXTO-UHFFFAOYSA-N 1 2 349.438 1.095 20 30 EDEDLO C#Cc1cccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000069257038 699181900 /nfs/dbraw/zinc/18/19/00/699181900.db2.gz AHOLZCKVJBNIHH-UHFFFAOYSA-N 1 2 349.456 1.298 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4occc4s3)CC2)C1 ZINC000941565268 701584621 /nfs/dbraw/zinc/58/46/21/701584621.db2.gz UTKBAMRHVKYHNP-UHFFFAOYSA-N 1 2 343.452 1.960 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@]3(C)CC[C@H](C)C3(C)C)CC2)C1 ZINC000941595185 701587164 /nfs/dbraw/zinc/58/71/64/701587164.db2.gz FWABVIHDVAPFLE-JXFKEZNVSA-N 1 2 331.504 1.910 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3CCC(C4CC4)CC3)CC2)C1 ZINC000941654853 701606063 /nfs/dbraw/zinc/60/60/63/701606063.db2.gz MNKWYOCDWDKWTB-UHFFFAOYSA-N 1 2 329.488 1.664 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c(c3)CCC=C4)CC2)C1 ZINC000941641206 701608530 /nfs/dbraw/zinc/60/85/30/701608530.db2.gz ZLRNVNBSXIVUOA-UHFFFAOYSA-N 1 2 335.451 1.721 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)C1 ZINC000945485562 700400529 /nfs/dbraw/zinc/40/05/29/700400529.db2.gz YXAPCTXYTBFJEA-KBPBESRZSA-N 1 2 330.432 1.662 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)C1 ZINC000945550265 700467626 /nfs/dbraw/zinc/46/76/26/700467626.db2.gz PSBITVFNDTYWRM-DZGCQCFKSA-N 1 2 330.432 1.662 20 30 EDEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CCN(CC#N)CC1(C)C)C2 ZINC000940850477 700936956 /nfs/dbraw/zinc/93/69/56/700936956.db2.gz GFAIEDUXSBFCON-BBRMVZONSA-N 1 2 329.448 1.563 20 30 EDEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCN(CC#N)CC1(C)C)CC2 ZINC000940850477 700936957 /nfs/dbraw/zinc/93/69/57/700936957.db2.gz GFAIEDUXSBFCON-BBRMVZONSA-N 1 2 329.448 1.563 20 30 EDEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCN(CC#N)CC1(C)C)C2 ZINC000940850479 700936969 /nfs/dbraw/zinc/93/69/69/700936969.db2.gz GFAIEDUXSBFCON-CZUORRHYSA-N 1 2 329.448 1.563 20 30 EDEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCN(CC#N)CC1(C)C)CC2 ZINC000940850479 700936970 /nfs/dbraw/zinc/93/69/70/700936970.db2.gz GFAIEDUXSBFCON-CZUORRHYSA-N 1 2 329.448 1.563 20 30 EDEDLO CC[C@H](C)C(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941319047 701468107 /nfs/dbraw/zinc/46/81/07/701468107.db2.gz FPBRJOHVYHMKNA-INIZCTEOSA-N 1 2 340.471 1.933 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccn4c3CCCC4)CC2)C1 ZINC000941438243 701541001 /nfs/dbraw/zinc/54/10/01/701541001.db2.gz MEEDFXUFWSJJOJ-UHFFFAOYSA-N 1 2 340.471 1.290 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)cn1 ZINC001032136832 701901107 /nfs/dbraw/zinc/90/11/07/701901107.db2.gz ILZHJNIIOSCRLQ-UHFFFAOYSA-N 1 2 348.381 1.935 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CC(=O)N([C@@H](C)CCC)C2)C1 ZINC001032205051 702042327 /nfs/dbraw/zinc/04/23/27/702042327.db2.gz NCWSZRXGRFOEPS-DZGCQCFKSA-N 1 2 341.883 1.824 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3ccc(=O)[nH]c3)C2)c1 ZINC001032168731 702076956 /nfs/dbraw/zinc/07/69/56/702076956.db2.gz OYPWSMOAZHQHFO-UHFFFAOYSA-N 1 2 340.358 1.660 20 30 EDEDLO CCn1ncnc1C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1 ZINC000941929294 702155946 /nfs/dbraw/zinc/15/59/46/702155946.db2.gz KPZVYIRSEBDIHE-OCCSQVGLSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncnc1C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H](C)C1 ZINC000941929294 702155949 /nfs/dbraw/zinc/15/59/49/702155949.db2.gz KPZVYIRSEBDIHE-OCCSQVGLSA-N 1 2 341.419 1.138 20 30 EDEDLO C=CC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2-c2cnn(C)c2)[C@H](C)C1 ZINC000944080610 702164499 /nfs/dbraw/zinc/16/44/99/702164499.db2.gz ORSGODKHHWHZSM-DOMZBBRYSA-N 1 2 328.420 1.436 20 30 EDEDLO C=CC[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2-c2cnn(C)c2)[C@H](C)C1 ZINC000944080610 702164503 /nfs/dbraw/zinc/16/45/03/702164503.db2.gz ORSGODKHHWHZSM-DOMZBBRYSA-N 1 2 328.420 1.436 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)[C@H](C)C1 ZINC000941949900 702200999 /nfs/dbraw/zinc/20/09/99/702200999.db2.gz JBZKKMBZWQUVEK-ZYHUDNBSSA-N 1 2 341.253 1.769 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)[C@H](C)C1 ZINC000941949900 702201005 /nfs/dbraw/zinc/20/10/05/702201005.db2.gz JBZKKMBZWQUVEK-ZYHUDNBSSA-N 1 2 341.253 1.769 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3nc(C)no3)C(C)(C)C2)nc1 ZINC000996529810 702846005 /nfs/dbraw/zinc/84/60/05/702846005.db2.gz XMGNBHZWAXDPAE-OAHLLOKOSA-N 1 2 339.399 1.395 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(N(C)C)no3)C[C@@H]2C)C1 ZINC000942602217 703118979 /nfs/dbraw/zinc/11/89/79/703118979.db2.gz FTDDCWIAMSHJEE-UONOGXRCSA-N 1 2 347.463 1.819 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nc(N(C)C)no3)C[C@@H]2C)C1 ZINC000942602217 703118980 /nfs/dbraw/zinc/11/89/80/703118980.db2.gz FTDDCWIAMSHJEE-UONOGXRCSA-N 1 2 347.463 1.819 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3ncc(C)cn3)C[C@@H]2C)c1 ZINC000942614336 703129229 /nfs/dbraw/zinc/12/92/29/703129229.db2.gz CYNNHWKQCIVLEJ-YJBOKZPZSA-N 1 2 349.438 1.802 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3ncc(C)cn3)C[C@@H]2C)c1 ZINC000942614336 703129231 /nfs/dbraw/zinc/12/92/31/703129231.db2.gz CYNNHWKQCIVLEJ-YJBOKZPZSA-N 1 2 349.438 1.802 20 30 EDEDLO Cc1n[nH]c(C)c1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032056414 703451461 /nfs/dbraw/zinc/45/14/61/703451461.db2.gz IQUCMSOEOXHXKC-UHFFFAOYSA-N 1 2 341.390 1.899 20 30 EDEDLO C=CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H](CC)C(N)=O)cc1 ZINC001032483413 703733258 /nfs/dbraw/zinc/73/32/58/703733258.db2.gz CKHDAILVXKLJKC-ZOBUZTSGSA-N 1 2 343.427 1.414 20 30 EDEDLO C=CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H](CC)C(N)=O)cc1 ZINC001032483413 703733260 /nfs/dbraw/zinc/73/32/60/703733260.db2.gz CKHDAILVXKLJKC-ZOBUZTSGSA-N 1 2 343.427 1.414 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001033105356 704290974 /nfs/dbraw/zinc/29/09/74/704290974.db2.gz GGGJHDAIGJSCST-LBPRGKRZSA-N 1 2 340.859 1.256 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2nnn(C(C)(C)C)n2)C1 ZINC001033105356 704290976 /nfs/dbraw/zinc/29/09/76/704290976.db2.gz GGGJHDAIGJSCST-LBPRGKRZSA-N 1 2 340.859 1.256 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H](C)C2CC[NH+](Cc3cnon3)CC2)c1 ZINC000997752404 704658169 /nfs/dbraw/zinc/65/81/69/704658169.db2.gz LXQPXOHGNFPOBF-ZDUSSCGKSA-N 1 2 339.399 1.476 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC3(C2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC3)C1 ZINC000945021724 704943574 /nfs/dbraw/zinc/94/35/74/704943574.db2.gz DBKVMQIXGNRHFY-UHFFFAOYSA-N 1 2 342.443 1.760 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2noc(-c3ccoc3)n2)C1 ZINC000998749055 706183860 /nfs/dbraw/zinc/18/38/60/706183860.db2.gz AZSKNAUYKGVHIM-DGCLKSJQSA-N 1 2 329.360 1.570 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(COC)no2)C1 ZINC000999875146 707521370 /nfs/dbraw/zinc/52/13/70/707521370.db2.gz CKPWJYLLWOEVEH-CYBMUJFWSA-N 1 2 336.436 1.899 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1C ZINC001005109450 707582702 /nfs/dbraw/zinc/58/27/02/707582702.db2.gz JDHPWOCBSIXXAC-LRDDRELGSA-N 1 2 328.416 1.027 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001000019229 707666267 /nfs/dbraw/zinc/66/62/67/707666267.db2.gz WJIMMSXKXATFQJ-CJNGLKHVSA-N 1 2 340.383 1.095 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1CN2CC#Cc1ccccc1 ZINC001032731479 707733256 /nfs/dbraw/zinc/73/32/56/707733256.db2.gz KPMWIVWCIUUTFP-OALUTQOASA-N 1 2 334.423 1.299 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](CNc2ccc(C#N)nc2)C1 ZINC001060906632 707747754 /nfs/dbraw/zinc/74/77/54/707747754.db2.gz ZCHPCNLUVYUSFD-AWEZNQCLSA-N 1 2 338.415 1.580 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cncc(C)c2)nc1 ZINC001032738358 707764551 /nfs/dbraw/zinc/76/45/51/707764551.db2.gz YHDZKMDRCRXRQJ-ROUUACIJSA-N 1 2 332.407 1.865 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cncc(C)c2)nc1 ZINC001032738358 707764555 /nfs/dbraw/zinc/76/45/55/707764555.db2.gz YHDZKMDRCRXRQJ-ROUUACIJSA-N 1 2 332.407 1.865 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001033495452 707990574 /nfs/dbraw/zinc/99/05/74/707990574.db2.gz RRZDHMMLUMLZET-NEPJUHHUSA-N 1 2 344.253 1.096 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001033495452 707990576 /nfs/dbraw/zinc/99/05/76/707990576.db2.gz RRZDHMMLUMLZET-NEPJUHHUSA-N 1 2 344.253 1.096 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N(C)C(=O)c3nccs3)C2)C1=O ZINC001033526368 708142263 /nfs/dbraw/zinc/14/22/63/708142263.db2.gz LHBIOYIBWWCESU-OLZOCXBDSA-N 1 2 334.445 1.076 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](N(C)C(=O)c3nccs3)C2)C1=O ZINC001033526368 708142267 /nfs/dbraw/zinc/14/22/67/708142267.db2.gz LHBIOYIBWWCESU-OLZOCXBDSA-N 1 2 334.445 1.076 20 30 EDEDLO C=CCn1cc(C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)C2)nn1 ZINC001061004590 708151146 /nfs/dbraw/zinc/15/11/46/708151146.db2.gz ASPRBPAQCGRNLO-CYBMUJFWSA-N 1 2 327.392 1.137 20 30 EDEDLO N#Cc1ccc(F)c(CN2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)c1 ZINC001032815415 708154519 /nfs/dbraw/zinc/15/45/19/708154519.db2.gz XEOQSGWPRFUWPS-HOTGVXAUSA-N 1 2 339.374 1.379 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001033678010 708487283 /nfs/dbraw/zinc/48/72/83/708487283.db2.gz APUWXRGNMQJYKN-UONOGXRCSA-N 1 2 337.855 1.434 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3nnc(C)n3C2)C1 ZINC001033678010 708487284 /nfs/dbraw/zinc/48/72/84/708487284.db2.gz APUWXRGNMQJYKN-UONOGXRCSA-N 1 2 337.855 1.434 20 30 EDEDLO CN(C(=O)c1c[nH]c(C#N)c1)C1CC[NH+](Cc2cnns2)CC1 ZINC001005277056 708505795 /nfs/dbraw/zinc/50/57/95/708505795.db2.gz WVYOEZLLDHKQMQ-UHFFFAOYSA-N 1 2 330.417 1.474 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033785351 708694078 /nfs/dbraw/zinc/69/40/78/708694078.db2.gz HYMMTJKVROGHGO-HNNXBMFYSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033785351 708694080 /nfs/dbraw/zinc/69/40/80/708694080.db2.gz HYMMTJKVROGHGO-HNNXBMFYSA-N 1 2 327.388 1.919 20 30 EDEDLO C=CC[NH+]1CCC(N(C)C(=O)c2coc(S(C)(=O)=O)c2)CC1 ZINC001005416651 708947730 /nfs/dbraw/zinc/94/77/30/708947730.db2.gz WXVNDXUGBROYRI-UHFFFAOYSA-N 1 2 326.418 1.406 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn3c2OCCC3)C1 ZINC001033886628 708993944 /nfs/dbraw/zinc/99/39/44/708993944.db2.gz YVEGOLLEELSVSX-CYBMUJFWSA-N 1 2 338.839 1.955 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn3c2OCCC3)C1 ZINC001033886628 708993946 /nfs/dbraw/zinc/99/39/46/708993946.db2.gz YVEGOLLEELSVSX-CYBMUJFWSA-N 1 2 338.839 1.955 20 30 EDEDLO N#Cc1nccnc1N[C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001061095024 709017254 /nfs/dbraw/zinc/01/72/54/709017254.db2.gz KAONJCZCKHNIQX-CHWSQXEVSA-N 1 2 325.376 1.084 20 30 EDEDLO CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001002546872 709094519 /nfs/dbraw/zinc/09/45/19/709094519.db2.gz XQBLGNOXRUKEFI-LLVKDONJSA-N 1 2 342.403 1.787 20 30 EDEDLO C=C[C@@H](C)[C@H](C)C(=O)N1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001061102575 709098153 /nfs/dbraw/zinc/09/81/53/709098153.db2.gz PYTOLWOUMIFMAC-CABCVRRESA-N 1 2 344.459 1.861 20 30 EDEDLO CCn1ccc(C[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001002551487 709098751 /nfs/dbraw/zinc/09/87/51/709098751.db2.gz LYZCATZJZOPRRA-UHFFFAOYSA-N 1 2 326.404 1.497 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001002555197 709101855 /nfs/dbraw/zinc/10/18/55/709101855.db2.gz FIYZYGIBSQEEIV-LLVKDONJSA-N 1 2 344.253 1.002 20 30 EDEDLO N#Cc1nccnc1N[C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001061106938 709130222 /nfs/dbraw/zinc/13/02/22/709130222.db2.gz DMRPCPPQUWNLMO-VXGBXAGGSA-N 1 2 325.376 1.153 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001002765054 709374193 /nfs/dbraw/zinc/37/41/93/709374193.db2.gz PYHJUHXEOXOKQS-HNNXBMFYSA-N 1 2 344.459 1.622 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001034121573 709385295 /nfs/dbraw/zinc/38/52/95/709385295.db2.gz KHXVYNLMAUJZJF-LBPRGKRZSA-N 1 2 327.226 1.903 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001034121573 709385297 /nfs/dbraw/zinc/38/52/97/709385297.db2.gz KHXVYNLMAUJZJF-LBPRGKRZSA-N 1 2 327.226 1.903 20 30 EDEDLO Cc1noc([C@@H](C)[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034164726 709438347 /nfs/dbraw/zinc/43/83/47/709438347.db2.gz RRMIDUJTRYHPRZ-BXUZGUMPSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1noc([C@@H](C)[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034164726 709438349 /nfs/dbraw/zinc/43/83/49/709438349.db2.gz RRMIDUJTRYHPRZ-BXUZGUMPSA-N 1 2 342.403 1.923 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001002930027 709593923 /nfs/dbraw/zinc/59/39/23/709593923.db2.gz GZDPGDOWZUOUGC-TZMCWYRMSA-N 1 2 339.399 1.786 20 30 EDEDLO CN(c1nccnc1C#N)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001061202782 709646523 /nfs/dbraw/zinc/64/65/23/709646523.db2.gz HOMZCLAWXJGJIP-CYBMUJFWSA-N 1 2 339.403 1.131 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cn(C)nc2OC)C1 ZINC001034341524 709826598 /nfs/dbraw/zinc/82/65/98/709826598.db2.gz GEKBDRWVVVPGFX-LBPRGKRZSA-N 1 2 326.828 1.766 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cn(C)nc2OC)C1 ZINC001034341524 709826603 /nfs/dbraw/zinc/82/66/03/709826603.db2.gz GEKBDRWVVVPGFX-LBPRGKRZSA-N 1 2 326.828 1.766 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2nccn2C)C1 ZINC001034404965 709953548 /nfs/dbraw/zinc/95/35/48/709953548.db2.gz WSEMPAABUJLMRI-XHSDSOJGSA-N 1 2 332.448 1.482 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2nccn2C)C1 ZINC001034404965 709953553 /nfs/dbraw/zinc/95/35/53/709953553.db2.gz WSEMPAABUJLMRI-XHSDSOJGSA-N 1 2 332.448 1.482 20 30 EDEDLO CN(c1cnc(C#N)cn1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001061281285 710421904 /nfs/dbraw/zinc/42/19/04/710421904.db2.gz ULKMPVBAAHPSOH-HNNXBMFYSA-N 1 2 339.403 1.131 20 30 EDEDLO CN(c1cnc(C#N)cn1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001061281285 710421907 /nfs/dbraw/zinc/42/19/07/710421907.db2.gz ULKMPVBAAHPSOH-HNNXBMFYSA-N 1 2 339.403 1.131 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CC[NH+]([C@H](C)c3nc(C)no3)CC2)c1 ZINC001003598995 710435738 /nfs/dbraw/zinc/43/57/38/710435738.db2.gz RZBKCLRFLWCUSH-GFCCVEGCSA-N 1 2 339.399 1.710 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3nnc(C)o3)CC2)cn1 ZINC001003982952 711181197 /nfs/dbraw/zinc/18/11/97/711181197.db2.gz GAPZFLSWIOYUND-LBPRGKRZSA-N 1 2 339.399 1.710 20 30 EDEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033023160 711363952 /nfs/dbraw/zinc/36/39/52/711363952.db2.gz SSRRJJUWYSRBQR-OAHLLOKOSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033023160 711363954 /nfs/dbraw/zinc/36/39/54/711363954.db2.gz SSRRJJUWYSRBQR-OAHLLOKOSA-N 1 2 327.363 1.767 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]2CNC(=O)c2cccc3[nH+]ccn32)nc1 ZINC001061413994 711603301 /nfs/dbraw/zinc/60/33/01/711603301.db2.gz RQDLKCPODQNATH-HNNXBMFYSA-N 1 2 346.394 2.000 20 30 EDEDLO CN1CC[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CC1=O ZINC001004475591 711855062 /nfs/dbraw/zinc/85/50/62/711855062.db2.gz UZXKYFFQAADJKH-JKSUJKDBSA-N 1 2 332.448 1.081 20 30 EDEDLO CN1CC[C@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CC1=O ZINC001004475591 711855063 /nfs/dbraw/zinc/85/50/63/711855063.db2.gz UZXKYFFQAADJKH-JKSUJKDBSA-N 1 2 332.448 1.081 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001004497838 711885964 /nfs/dbraw/zinc/88/59/64/711885964.db2.gz LJRKXKMVZLSUBJ-WNRNVDISSA-N 1 2 347.459 1.264 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001004497838 711885965 /nfs/dbraw/zinc/88/59/65/711885965.db2.gz LJRKXKMVZLSUBJ-WNRNVDISSA-N 1 2 347.459 1.264 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC001004601909 712024114 /nfs/dbraw/zinc/02/41/14/712024114.db2.gz RNKCLTBSVKUTKK-SJORKVTESA-N 1 2 346.475 1.662 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC001004601909 712024116 /nfs/dbraw/zinc/02/41/16/712024116.db2.gz RNKCLTBSVKUTKK-SJORKVTESA-N 1 2 346.475 1.662 20 30 EDEDLO CCOc1cnc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004624425 712072008 /nfs/dbraw/zinc/07/20/08/712072008.db2.gz MJXFVIWOQKZPIV-MRXNPFEDSA-N 1 2 343.431 1.715 20 30 EDEDLO CCOc1cnc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004624425 712072009 /nfs/dbraw/zinc/07/20/09/712072009.db2.gz MJXFVIWOQKZPIV-MRXNPFEDSA-N 1 2 343.431 1.715 20 30 EDEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946651878 712200874 /nfs/dbraw/zinc/20/08/74/712200874.db2.gz HHYHNTQRIDXBCG-OWCLPIDISA-N 1 2 327.432 1.139 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2(C)COC2)CC1=O ZINC000112729841 529833010 /nfs/dbraw/zinc/83/30/10/529833010.db2.gz OAATZIBCMLJWNO-UHFFFAOYSA-N 1 2 326.400 1.683 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)C1CC1 ZINC000560472775 306270458 /nfs/dbraw/zinc/27/04/58/306270458.db2.gz AFNFFMZXWVCKSH-CQSZACIVSA-N 1 2 334.376 1.860 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C#N)c(Cl)n1 ZINC000376170224 291066091 /nfs/dbraw/zinc/06/60/91/291066091.db2.gz BQQQHSWEYWXERJ-WCQYABFASA-N 1 2 334.807 1.542 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@H]3CCCCO3)CC2)cc1 ZINC000029188913 202183686 /nfs/dbraw/zinc/18/36/86/202183686.db2.gz XKPHOYOGUDBORJ-MRXNPFEDSA-N 1 2 349.456 1.434 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(C[C@H](C#N)CCC#N)CC1)C1CCCCC1 ZINC000103168781 237045305 /nfs/dbraw/zinc/04/53/05/237045305.db2.gz CDBFCKRCYMOVBZ-KRWDZBQOSA-N 1 2 345.491 1.839 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCO[C@H](C#N)C1)c1cccc(F)c1 ZINC000106329667 237085203 /nfs/dbraw/zinc/08/52/03/237085203.db2.gz CVIXFOMOTZPDMU-CABCVRRESA-N 1 2 343.362 1.583 20 30 EDEDLO N#C[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000106335405 237085675 /nfs/dbraw/zinc/08/56/75/237085675.db2.gz WVSARMWGCKXHAC-ZDUSSCGKSA-N 1 2 329.335 1.445 20 30 EDEDLO COc1ccc(C(N)=[NH+]O[C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1 ZINC000174115603 237275372 /nfs/dbraw/zinc/27/53/72/237275372.db2.gz NRLOXMREXQQQAH-OAHLLOKOSA-N 1 2 343.387 1.261 20 30 EDEDLO Cc1nc(CC(N)=[NH+]O[C@H]2CCCN(c3ccn(C)n3)C2=O)cs1 ZINC000174113164 237277636 /nfs/dbraw/zinc/27/76/36/237277636.db2.gz WLAHIAJNFKAYOB-LBPRGKRZSA-N 1 2 348.432 1.212 20 30 EDEDLO C[C@](C#N)(NC(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1)C1CC1 ZINC000174660311 237289320 /nfs/dbraw/zinc/28/93/20/237289320.db2.gz BMRWXADWKLGNQI-LJQANCHMSA-N 1 2 342.443 1.318 20 30 EDEDLO N#Cc1ccccc1N1CCCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000043310979 201101616 /nfs/dbraw/zinc/10/16/16/201101616.db2.gz MXWGDZDTNDYSDV-UHFFFAOYSA-N 1 2 338.415 1.677 20 30 EDEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000135687684 201130618 /nfs/dbraw/zinc/13/06/18/201130618.db2.gz ALXJNXWAGSOTKQ-OAHLLOKOSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000135687684 201130620 /nfs/dbraw/zinc/13/06/20/201130620.db2.gz ALXJNXWAGSOTKQ-OAHLLOKOSA-N 1 2 337.420 1.697 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCc1cc(OC)c(OC)c(OC)c1)C1CC1 ZINC000274240218 201267229 /nfs/dbraw/zinc/26/72/29/201267229.db2.gz XTUVQZNEVGOQSI-UHFFFAOYSA-N 1 2 332.400 1.426 20 30 EDEDLO C#CC[N@H+](CC(=O)NCc1cc(OC)c(OC)c(OC)c1)C1CC1 ZINC000274240218 201267232 /nfs/dbraw/zinc/26/72/32/201267232.db2.gz XTUVQZNEVGOQSI-UHFFFAOYSA-N 1 2 332.400 1.426 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000151420292 203969629 /nfs/dbraw/zinc/96/96/29/203969629.db2.gz JAZBUQLBSQCSHJ-PBHICJAKSA-N 1 2 336.395 1.913 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccn3)n(CC)c2=S)CC1 ZINC000151745500 204036773 /nfs/dbraw/zinc/03/67/73/204036773.db2.gz VHGKVOGRTGXYGB-UHFFFAOYSA-N 1 2 342.472 1.704 20 30 EDEDLO C[N@H+](CCN1CCOCC1)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000119838856 204381819 /nfs/dbraw/zinc/38/18/19/204381819.db2.gz BISFSXCOIYNSGQ-UHFFFAOYSA-N 1 2 326.400 1.977 20 30 EDEDLO C[N@@H+](CCN1CCOCC1)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000119838856 204381823 /nfs/dbraw/zinc/38/18/23/204381823.db2.gz BISFSXCOIYNSGQ-UHFFFAOYSA-N 1 2 326.400 1.977 20 30 EDEDLO CN(CC[NH+]1CCOCC1)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000119838856 204381826 /nfs/dbraw/zinc/38/18/26/204381826.db2.gz BISFSXCOIYNSGQ-UHFFFAOYSA-N 1 2 326.400 1.977 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000157648596 206149450 /nfs/dbraw/zinc/14/94/50/206149450.db2.gz ADHBNNHUIVIPCE-ZDUSSCGKSA-N 1 2 345.403 1.503 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCN1Cc1ccccc1 ZINC000161660683 206363278 /nfs/dbraw/zinc/36/32/78/206363278.db2.gz KAAHUBIRTHRKQM-QZTJIDSGSA-N 1 2 349.438 1.682 20 30 EDEDLO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000271709451 249446314 /nfs/dbraw/zinc/44/63/14/249446314.db2.gz GMOHBBQTWFYCML-CYBMUJFWSA-N 1 2 341.429 1.585 20 30 EDEDLO C=CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000271709451 249446320 /nfs/dbraw/zinc/44/63/20/249446320.db2.gz GMOHBBQTWFYCML-CYBMUJFWSA-N 1 2 341.429 1.585 20 30 EDEDLO C=CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000345081653 250024262 /nfs/dbraw/zinc/02/42/62/250024262.db2.gz AXNCCUWOWAGTSM-DXCKQFNASA-N 1 2 330.432 1.943 20 30 EDEDLO C=C(C)CN(C)C(=O)N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000346831069 250046453 /nfs/dbraw/zinc/04/64/53/250046453.db2.gz LZDZOEZJCJBWHS-YOEHRIQHSA-N 1 2 345.447 1.832 20 30 EDEDLO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C#N)CC3)C2=O)cc1 ZINC000352270099 250078486 /nfs/dbraw/zinc/07/84/86/250078486.db2.gz BZSFHWIMKCLODU-INIZCTEOSA-N 1 2 327.384 1.953 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](Cn3cncn3)C2)cc1OC ZINC000353643819 250082485 /nfs/dbraw/zinc/08/24/85/250082485.db2.gz KYNAKBIHURQOSZ-MRXNPFEDSA-N 1 2 344.415 1.753 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CCO[C@@H](Cn3cncn3)C2)cc1OC ZINC000353643819 250082491 /nfs/dbraw/zinc/08/24/91/250082491.db2.gz KYNAKBIHURQOSZ-MRXNPFEDSA-N 1 2 344.415 1.753 20 30 EDEDLO CCc1[nH+]c2ccccc2n1CC(=O)NCC1CCN(CC#N)CC1 ZINC000355058195 250104289 /nfs/dbraw/zinc/10/42/89/250104289.db2.gz KQNYNRLZBXLVQL-UHFFFAOYSA-N 1 2 339.443 1.950 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000355129510 250106785 /nfs/dbraw/zinc/10/67/85/250106785.db2.gz YBJQSBYNXXMUIC-MRXNPFEDSA-N 1 2 330.432 1.604 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000355129510 250106788 /nfs/dbraw/zinc/10/67/88/250106788.db2.gz YBJQSBYNXXMUIC-MRXNPFEDSA-N 1 2 330.432 1.604 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000355881569 250123842 /nfs/dbraw/zinc/12/38/42/250123842.db2.gz MEGPGVUOOGJAKQ-KEYYUXOJSA-N 1 2 339.411 1.647 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000355881569 250123845 /nfs/dbraw/zinc/12/38/45/250123845.db2.gz MEGPGVUOOGJAKQ-KEYYUXOJSA-N 1 2 339.411 1.647 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000358351084 250132629 /nfs/dbraw/zinc/13/26/29/250132629.db2.gz HSBJFGWBGJJGPQ-KBXCAEBGSA-N 1 2 336.480 1.668 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000358351084 250132632 /nfs/dbraw/zinc/13/26/32/250132632.db2.gz HSBJFGWBGJJGPQ-KBXCAEBGSA-N 1 2 336.480 1.668 20 30 EDEDLO C=CCOCCCN(Cc1cn2c([nH+]1)CCCC2)S(C)(=O)=O ZINC000358566389 250137903 /nfs/dbraw/zinc/13/79/03/250137903.db2.gz XNOIIPMYJDYVEM-UHFFFAOYSA-N 1 2 327.450 1.574 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000361490943 250175148 /nfs/dbraw/zinc/17/51/48/250175148.db2.gz SKULOSAGGNUGSM-SNVBAGLBSA-N 1 2 328.338 1.746 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(c2cncc(F)c2)CC1)C1CC1 ZINC000374442904 250265661 /nfs/dbraw/zinc/26/56/61/250265661.db2.gz IIVQDAXPNMYQKO-GOSISDBHSA-N 1 2 345.422 1.541 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCN(c2cncc(F)c2)CC1)C1CC1 ZINC000374442904 250265666 /nfs/dbraw/zinc/26/56/66/250265666.db2.gz IIVQDAXPNMYQKO-GOSISDBHSA-N 1 2 345.422 1.541 20 30 EDEDLO COC[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 ZINC000251919412 139203404 /nfs/dbraw/zinc/20/34/04/139203404.db2.gz SHVVUIZDFXBDIS-XOKHGSTOSA-N 1 2 329.400 1.399 20 30 EDEDLO COC[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 ZINC000251919412 139203405 /nfs/dbraw/zinc/20/34/05/139203405.db2.gz SHVVUIZDFXBDIS-XOKHGSTOSA-N 1 2 329.400 1.399 20 30 EDEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000174573963 207031759 /nfs/dbraw/zinc/03/17/59/207031759.db2.gz AXZRTHUJSDWMMH-INIZCTEOSA-N 1 2 326.400 1.018 20 30 EDEDLO O=C(NCC#Cc1cccc(F)c1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418150293 251344308 /nfs/dbraw/zinc/34/43/08/251344308.db2.gz CTXTWSJGCCFEFF-CYBMUJFWSA-N 1 2 325.334 1.721 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488745566 255051963 /nfs/dbraw/zinc/05/19/63/255051963.db2.gz LLJFPJVOSJQAQT-DLBZAZTESA-N 1 2 348.491 1.653 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488745566 255051964 /nfs/dbraw/zinc/05/19/64/255051964.db2.gz LLJFPJVOSJQAQT-DLBZAZTESA-N 1 2 348.491 1.653 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)CC1 ZINC000490539705 255091171 /nfs/dbraw/zinc/09/11/71/255091171.db2.gz SSNMJLAKUBDNMU-SFHVURJKSA-N 1 2 332.448 1.086 20 30 EDEDLO CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000490615800 255094860 /nfs/dbraw/zinc/09/48/60/255094860.db2.gz GCGPGCZMWXIKPB-CKEIUWERSA-N 1 2 338.452 1.640 20 30 EDEDLO CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000490615800 255094862 /nfs/dbraw/zinc/09/48/62/255094862.db2.gz GCGPGCZMWXIKPB-CKEIUWERSA-N 1 2 338.452 1.640 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCO2)CC1 ZINC000491066496 255117378 /nfs/dbraw/zinc/11/73/78/255117378.db2.gz CPPVMEIHRFOLOL-JKSUJKDBSA-N 1 2 331.464 1.726 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000491542505 255130077 /nfs/dbraw/zinc/13/00/77/255130077.db2.gz ANRZFFUJCBXPRP-NSHDSACASA-N 1 2 332.356 1.152 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000491542505 255130078 /nfs/dbraw/zinc/13/00/78/255130078.db2.gz ANRZFFUJCBXPRP-NSHDSACASA-N 1 2 332.356 1.152 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000491627521 255133555 /nfs/dbraw/zinc/13/35/55/255133555.db2.gz MERRKCLXVKVWNE-ROUUACIJSA-N 1 2 343.427 1.104 20 30 EDEDLO CCOC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000493872762 255224173 /nfs/dbraw/zinc/22/41/73/255224173.db2.gz IHHHTFDDXSIMFB-YOEHRIQHSA-N 1 2 338.452 1.594 20 30 EDEDLO CCOC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000493872762 255224174 /nfs/dbraw/zinc/22/41/74/255224174.db2.gz IHHHTFDDXSIMFB-YOEHRIQHSA-N 1 2 338.452 1.594 20 30 EDEDLO CC[N@H+](Cc1nc(CC(=O)NC)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000494481629 255252184 /nfs/dbraw/zinc/25/21/84/255252184.db2.gz HSYNYZDWNMDIOW-GFCCVEGCSA-N 1 2 327.388 1.813 20 30 EDEDLO CC[N@@H+](Cc1nc(CC(=O)NC)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000494481629 255252185 /nfs/dbraw/zinc/25/21/85/255252185.db2.gz HSYNYZDWNMDIOW-GFCCVEGCSA-N 1 2 327.388 1.813 20 30 EDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC3(COC(=O)N3)CC2)cc1Cl ZINC000495027219 255266039 /nfs/dbraw/zinc/26/60/39/255266039.db2.gz BJDXWBGHPQGSCP-UHFFFAOYSA-N 1 2 348.790 1.725 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000496174644 255361443 /nfs/dbraw/zinc/36/14/43/255361443.db2.gz XMMVCBHDWDXLKB-MRXNPFEDSA-N 1 2 348.407 1.397 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc(C#N)cn1 ZINC000275887279 257990376 /nfs/dbraw/zinc/99/03/76/257990376.db2.gz ZEAYWCWEUSMILD-HOCLYGCPSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccc(C#N)cn1 ZINC000275887279 257990377 /nfs/dbraw/zinc/99/03/77/257990377.db2.gz ZEAYWCWEUSMILD-HOCLYGCPSA-N 1 2 328.395 1.736 20 30 EDEDLO COC(=O)CCc1nc(CO[NH+]=C(N)c2ccc(C)c(F)c2)no1 ZINC000111176843 533462604 /nfs/dbraw/zinc/46/26/04/533462604.db2.gz MAAVQSQJNLXJFM-UHFFFAOYSA-N 1 2 336.323 1.460 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)CSCc1ccc(C#N)cc1 ZINC000339730474 142136275 /nfs/dbraw/zinc/13/62/75/142136275.db2.gz OSAYHWFTYKOLJR-UHFFFAOYSA-N 1 2 333.457 1.582 20 30 EDEDLO Cc1ccc2[nH+]c(CNC(=O)C(=O)Nc3ccc(C#N)cn3)cn2c1 ZINC000339942076 142207131 /nfs/dbraw/zinc/20/71/31/142207131.db2.gz QRFRFBXIOJVCLO-UHFFFAOYSA-N 1 2 334.339 1.164 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cscc2C#N)CC1 ZINC000340379742 142367842 /nfs/dbraw/zinc/36/78/42/142367842.db2.gz TVGFLLFVHNATIV-UHFFFAOYSA-N 1 2 343.456 1.928 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)[C@@H]1C ZINC000347189011 143292905 /nfs/dbraw/zinc/29/29/05/143292905.db2.gz CWXVTRBGDSWYFI-NTZNESFSSA-N 1 2 333.388 1.979 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)[C@@H]1C ZINC000347189011 143292906 /nfs/dbraw/zinc/29/29/06/143292906.db2.gz CWXVTRBGDSWYFI-NTZNESFSSA-N 1 2 333.388 1.979 20 30 EDEDLO CC[C@@H](C(=O)OC)N1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000352662144 149105510 /nfs/dbraw/zinc/10/55/10/149105510.db2.gz WZHIKKWUMBUVIC-INIZCTEOSA-N 1 2 331.416 1.636 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000352743982 149145293 /nfs/dbraw/zinc/14/52/93/149145293.db2.gz LUSZQIXOKACZEB-UHFFFAOYSA-N 1 2 342.443 1.957 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000352743982 149145294 /nfs/dbraw/zinc/14/52/94/149145294.db2.gz LUSZQIXOKACZEB-UHFFFAOYSA-N 1 2 342.443 1.957 20 30 EDEDLO C[C@@H](C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1)n1cnc(C#N)n1 ZINC000352784253 149163766 /nfs/dbraw/zinc/16/37/66/149163766.db2.gz NJUDSECWYPTCAC-SWLSCSKDSA-N 1 2 335.371 1.682 20 30 EDEDLO C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000355129290 150129870 /nfs/dbraw/zinc/12/98/70/150129870.db2.gz RYXGTARCRHVLDB-OAHLLOKOSA-N 1 2 327.432 1.334 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(Cc2nc(C#N)cs2)C1 ZINC000356340749 150603426 /nfs/dbraw/zinc/60/34/26/150603426.db2.gz PDKVSGJPAZKESW-MRXNPFEDSA-N 1 2 336.461 1.910 20 30 EDEDLO COC(=O)CN1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000370024133 155287327 /nfs/dbraw/zinc/28/73/27/155287327.db2.gz AMDGZVXUUXCJEE-CQSZACIVSA-N 1 2 344.415 1.066 20 30 EDEDLO COC(=O)CN1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000370024133 155287328 /nfs/dbraw/zinc/28/73/28/155287328.db2.gz AMDGZVXUUXCJEE-CQSZACIVSA-N 1 2 344.415 1.066 20 30 EDEDLO Cc1cc(NC[C@@H]2CS(=O)(=O)c3ccccc3O2)c(C#N)c[nH+]1 ZINC000573799108 306634679 /nfs/dbraw/zinc/63/46/79/306634679.db2.gz XZWHHQAPLNUJHN-CYBMUJFWSA-N 1 2 329.381 1.330 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000358351904 151346950 /nfs/dbraw/zinc/34/69/50/151346950.db2.gz MGXNXHGELMANFS-UHFFFAOYSA-N 1 2 338.415 1.950 20 30 EDEDLO C[C@H](NC(=O)NCCc1cccc(C#N)c1)[C@H](C)[NH+]1CCOCC1 ZINC000358997676 151563186 /nfs/dbraw/zinc/56/31/86/151563186.db2.gz VWIJGHIJXDPWFS-GJZGRUSLSA-N 1 2 330.432 1.509 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363942852 153103235 /nfs/dbraw/zinc/10/32/35/153103235.db2.gz VYLMHIPQQSDHOR-HOCLYGCPSA-N 1 2 329.400 1.259 20 30 EDEDLO Cn1cc(C[N@@H+]2CCO[C@@H]3CCOC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000367826299 154286126 /nfs/dbraw/zinc/28/61/26/154286126.db2.gz YJLHBURPTNKWLL-ZWKOTPCHSA-N 1 2 338.411 1.948 20 30 EDEDLO Cn1cc(C[N@H+]2CCO[C@@H]3CCOC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000367826299 154286130 /nfs/dbraw/zinc/28/61/30/154286130.db2.gz YJLHBURPTNKWLL-ZWKOTPCHSA-N 1 2 338.411 1.948 20 30 EDEDLO CCN1C(=O)[C@H]2C[N@H+](Cc3cn4ccccc4c3C#N)CCN2C1=O ZINC000369446496 155038211 /nfs/dbraw/zinc/03/82/11/155038211.db2.gz YPZVADOIYZBANL-MRXNPFEDSA-N 1 2 337.383 1.279 20 30 EDEDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3cn4ccccc4c3C#N)CCN2C1=O ZINC000369446496 155038216 /nfs/dbraw/zinc/03/82/16/155038216.db2.gz YPZVADOIYZBANL-MRXNPFEDSA-N 1 2 337.383 1.279 20 30 EDEDLO COC(=O)[C@H]1CCCCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000371583300 156016757 /nfs/dbraw/zinc/01/67/57/156016757.db2.gz MJAZBAUVLDGWSN-MRXNPFEDSA-N 1 2 329.400 1.592 20 30 EDEDLO COC(=O)[C@H]1CCCCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000371583300 156016760 /nfs/dbraw/zinc/01/67/60/156016760.db2.gz MJAZBAUVLDGWSN-MRXNPFEDSA-N 1 2 329.400 1.592 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1 ZINC000372341719 156344507 /nfs/dbraw/zinc/34/45/07/156344507.db2.gz HSCNPFGLBLLBCW-GJZGRUSLSA-N 1 2 335.429 1.090 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc1 ZINC000372341719 156344510 /nfs/dbraw/zinc/34/45/10/156344510.db2.gz HSCNPFGLBLLBCW-GJZGRUSLSA-N 1 2 335.429 1.090 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1Cl ZINC000374160931 157170930 /nfs/dbraw/zinc/17/09/30/157170930.db2.gz LQTSELWGRORKDF-TZMCWYRMSA-N 1 2 332.791 1.361 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1Cl ZINC000374160931 157170933 /nfs/dbraw/zinc/17/09/33/157170933.db2.gz LQTSELWGRORKDF-TZMCWYRMSA-N 1 2 332.791 1.361 20 30 EDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1 ZINC000122062975 222007252 /nfs/dbraw/zinc/00/72/52/222007252.db2.gz KRRZZWDWYYXOGC-OAHLLOKOSA-N 1 2 344.440 1.935 20 30 EDEDLO CCc1nc(C(C)(C)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)no1 ZINC000441276605 270013401 /nfs/dbraw/zinc/01/34/01/270013401.db2.gz KTIDWAZCSGSIFG-ZDUSSCGKSA-N 1 2 330.388 1.768 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN(C3CC3)[C@@H]3CCS(=O)(=O)C3)n2c1 ZINC000507308199 270015038 /nfs/dbraw/zinc/01/50/38/270015038.db2.gz BTBMBDFWUIIREM-CQSZACIVSA-N 1 2 330.413 1.357 20 30 EDEDLO COCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000281807243 266740557 /nfs/dbraw/zinc/74/05/57/266740557.db2.gz VSXHQZPIFZVMBH-CQSZACIVSA-N 1 2 327.388 1.929 20 30 EDEDLO C[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000289485910 267023485 /nfs/dbraw/zinc/02/34/85/267023485.db2.gz OOXDOJSBZIQPLH-DOMZBBRYSA-N 1 2 331.401 1.422 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000288228410 267058234 /nfs/dbraw/zinc/05/82/34/267058234.db2.gz FIEPJPWRKGWVIK-PBHICJAKSA-N 1 2 349.456 1.041 20 30 EDEDLO C[NH+](C)Cc1ccnc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427763892 267284390 /nfs/dbraw/zinc/28/43/90/267284390.db2.gz RVJMVRRKQLLBSE-UHFFFAOYSA-N 1 2 334.376 1.955 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(C#N)c1C ZINC000528747953 268104444 /nfs/dbraw/zinc/10/44/44/268104444.db2.gz LUPKLLXABWNZQI-CALCHBBNSA-N 1 2 335.404 1.019 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c(C#N)c1C ZINC000528747953 268104445 /nfs/dbraw/zinc/10/44/45/268104445.db2.gz LUPKLLXABWNZQI-CALCHBBNSA-N 1 2 335.404 1.019 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428770699 268262603 /nfs/dbraw/zinc/26/26/03/268262603.db2.gz GBJBWPBDUBZZOA-AEFFLSMTSA-N 1 2 347.378 1.505 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428770699 268262605 /nfs/dbraw/zinc/26/26/05/268262605.db2.gz GBJBWPBDUBZZOA-AEFFLSMTSA-N 1 2 347.378 1.505 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000459311382 268289632 /nfs/dbraw/zinc/28/96/32/268289632.db2.gz XKDXZNYPMQSLIL-UHFFFAOYSA-N 1 2 328.372 1.957 20 30 EDEDLO N#Cc1ccnc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1 ZINC000282874772 268290320 /nfs/dbraw/zinc/29/03/20/268290320.db2.gz DVKUUBUZWAFUQI-GOSISDBHSA-N 1 2 336.395 1.757 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3cncc4ncnn43)CC2)c(F)c1 ZINC000275500622 268352257 /nfs/dbraw/zinc/35/22/57/268352257.db2.gz BZJFOYVKWRAFRV-UHFFFAOYSA-N 1 2 337.362 1.457 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000284783577 274330404 /nfs/dbraw/zinc/33/04/04/274330404.db2.gz KTWSITUEVPWOLM-AWEZNQCLSA-N 1 2 348.204 1.532 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@](O)(c3cn[nH]n3)C2)c1 ZINC000284783577 274330405 /nfs/dbraw/zinc/33/04/05/274330405.db2.gz KTWSITUEVPWOLM-AWEZNQCLSA-N 1 2 348.204 1.532 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@](O)(c3c[nH]nn3)C2)c1 ZINC000284783577 274330407 /nfs/dbraw/zinc/33/04/07/274330407.db2.gz KTWSITUEVPWOLM-AWEZNQCLSA-N 1 2 348.204 1.532 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@](O)(c3c[nH]nn3)C2)c1 ZINC000284783577 274330409 /nfs/dbraw/zinc/33/04/09/274330409.db2.gz KTWSITUEVPWOLM-AWEZNQCLSA-N 1 2 348.204 1.532 20 30 EDEDLO CN1CC[N@H+](C)C[C@H]1c1noc([C@]2(C#N)CCc3ccccc3C2)n1 ZINC000371914787 277103145 /nfs/dbraw/zinc/10/31/45/277103145.db2.gz HNYHRKVHBKFKMJ-QFBILLFUSA-N 1 2 337.427 1.938 20 30 EDEDLO CN1CC[N@@H+](C)C[C@H]1c1noc([C@]2(C#N)CCc3ccccc3C2)n1 ZINC000371914787 277103148 /nfs/dbraw/zinc/10/31/48/277103148.db2.gz HNYHRKVHBKFKMJ-QFBILLFUSA-N 1 2 337.427 1.938 20 30 EDEDLO CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000372442956 277246819 /nfs/dbraw/zinc/24/68/19/277246819.db2.gz CKGXJLKFIYKBKU-SFHVURJKSA-N 1 2 345.406 1.879 20 30 EDEDLO N#Cc1c(N2CC[C@@H]([NH+]3CCOCC3)C2)nc2cc(Cl)ccn12 ZINC000367431121 279496919 /nfs/dbraw/zinc/49/69/19/279496919.db2.gz SVTFKCHJAWJFCD-CYBMUJFWSA-N 1 2 331.807 1.770 20 30 EDEDLO Cc1ccc(C2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c[nH+]1 ZINC000363671539 280802063 /nfs/dbraw/zinc/80/20/63/280802063.db2.gz KDYYAHFAFCJYII-UHFFFAOYSA-N 1 2 339.399 1.043 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccnn2-c2ccccc2)CC1 ZINC000448214874 447306049 /nfs/dbraw/zinc/30/60/49/447306049.db2.gz VLUKHEILXFJGFL-UHFFFAOYSA-N 1 2 339.443 1.292 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000448214874 447306060 /nfs/dbraw/zinc/30/60/60/447306060.db2.gz VLUKHEILXFJGFL-UHFFFAOYSA-N 1 2 339.443 1.292 20 30 EDEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000448689242 447341212 /nfs/dbraw/zinc/34/12/12/447341212.db2.gz FWYKEHZSSUNANY-RDTXWAMCSA-N 1 2 330.407 1.614 20 30 EDEDLO Cc1cc(NC(=O)NCc2c[nH+]cn2C)nn1-c1cccc(C#N)c1 ZINC000377821091 447374010 /nfs/dbraw/zinc/37/40/10/447374010.db2.gz KPPKSLVRQVEOQL-UHFFFAOYSA-N 1 2 335.371 2.108 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000045184461 440959938 /nfs/dbraw/zinc/95/99/38/440959938.db2.gz ZBHXTKNNAWDOMN-NVXWUHKLSA-N 1 2 330.432 1.861 20 30 EDEDLO Cc1cc([NH+]2CCCC2)ccc1Nc1c(C#N)c(=O)n(C)c(=O)n1C ZINC000014215830 441179188 /nfs/dbraw/zinc/17/91/88/441179188.db2.gz PDWVBZIFVLIJKU-UHFFFAOYSA-N 1 2 339.399 1.608 20 30 EDEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCn1cc[nH+]c1 ZINC000047439989 441188975 /nfs/dbraw/zinc/18/89/75/441188975.db2.gz DFUSXLUBASZRSF-UHFFFAOYSA-N 1 2 328.420 1.749 20 30 EDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1nc(C(F)(F)F)ccc1C#N ZINC000081016112 441219924 /nfs/dbraw/zinc/21/99/24/441219924.db2.gz PEJLBIDGCNTWAT-LBPRGKRZSA-N 1 2 344.337 1.101 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[N@H+](CCC#N)CC2CC2)cc1 ZINC000081062405 441227730 /nfs/dbraw/zinc/22/77/30/441227730.db2.gz NWXLKECFMQKGEV-UHFFFAOYSA-N 1 2 330.388 1.969 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000081062405 441227734 /nfs/dbraw/zinc/22/77/34/441227734.db2.gz NWXLKECFMQKGEV-UHFFFAOYSA-N 1 2 330.388 1.969 20 30 EDEDLO COc1ccc(CNC(=O)C[N@H+](CCC#N)CC2CC2)cc1OC ZINC000081062779 441228269 /nfs/dbraw/zinc/22/82/69/441228269.db2.gz ICDYKBRXTSKIGW-UHFFFAOYSA-N 1 2 331.416 1.946 20 30 EDEDLO COc1ccc(CNC(=O)C[N@@H+](CCC#N)CC2CC2)cc1OC ZINC000081062779 441228275 /nfs/dbraw/zinc/22/82/75/441228275.db2.gz ICDYKBRXTSKIGW-UHFFFAOYSA-N 1 2 331.416 1.946 20 30 EDEDLO CC(=O)N[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000017843102 441245056 /nfs/dbraw/zinc/24/50/56/441245056.db2.gz ABVKWOWHVGCXBG-SFHVURJKSA-N 1 2 342.443 1.363 20 30 EDEDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481321 441245950 /nfs/dbraw/zinc/24/59/50/441245950.db2.gz MQAAFNOZVNIPNI-IYBDPMFKSA-N 1 2 341.459 1.865 20 30 EDEDLO C#CC[NH+]1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000060942256 441262743 /nfs/dbraw/zinc/26/27/43/441262743.db2.gz ZVVZNPXRQSNXLM-UHFFFAOYSA-N 1 2 341.333 1.775 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCCCC(C)C)CC1 ZINC000081412117 441265467 /nfs/dbraw/zinc/26/54/67/441265467.db2.gz ARMUBBQXKZTORJ-UHFFFAOYSA-N 1 2 335.492 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCCCC(C)C)CC1 ZINC000081412117 441265471 /nfs/dbraw/zinc/26/54/71/441265471.db2.gz ARMUBBQXKZTORJ-UHFFFAOYSA-N 1 2 335.492 1.877 20 30 EDEDLO CN(CCC#N)S(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000073635917 441335915 /nfs/dbraw/zinc/33/59/15/441335915.db2.gz ZOLGDMDUEGNWLU-UHFFFAOYSA-N 1 2 333.417 1.111 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000063666773 441342110 /nfs/dbraw/zinc/34/21/10/441342110.db2.gz KFMYZZUQVQKVHW-UHFFFAOYSA-N 1 2 348.428 1.157 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000051119586 441398687 /nfs/dbraw/zinc/39/86/87/441398687.db2.gz DSIVFXKLISQFDN-UHFFFAOYSA-N 1 2 330.432 1.579 20 30 EDEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1nc(N)nc(N(C)C)n1 ZINC000083169637 441352072 /nfs/dbraw/zinc/35/20/72/441352072.db2.gz QTBREBPBQPOXHJ-UHFFFAOYSA-N 1 2 325.420 1.802 20 30 EDEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1nc(N)nc(N(C)C)n1 ZINC000083169637 441352076 /nfs/dbraw/zinc/35/20/76/441352076.db2.gz QTBREBPBQPOXHJ-UHFFFAOYSA-N 1 2 325.420 1.802 20 30 EDEDLO C[N@H+](CCN1CCCC1=O)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083172696 441353722 /nfs/dbraw/zinc/35/37/22/441353722.db2.gz PNCWLHJHWBLUKY-ZDUSSCGKSA-N 1 2 332.429 1.279 20 30 EDEDLO C[N@@H+](CCN1CCCC1=O)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083172696 441353725 /nfs/dbraw/zinc/35/37/25/441353725.db2.gz PNCWLHJHWBLUKY-ZDUSSCGKSA-N 1 2 332.429 1.279 20 30 EDEDLO CC[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)C[C@@H](C)C#N ZINC000049982237 441367920 /nfs/dbraw/zinc/36/79/20/441367920.db2.gz FHXXXYGESSBKLZ-LBPRGKRZSA-N 1 2 346.387 1.587 20 30 EDEDLO CC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)C[C@@H](C)C#N ZINC000049982237 441367925 /nfs/dbraw/zinc/36/79/25/441367925.db2.gz FHXXXYGESSBKLZ-LBPRGKRZSA-N 1 2 346.387 1.587 20 30 EDEDLO CC[N@@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)C[C@H](C)C#N ZINC000049982571 441368326 /nfs/dbraw/zinc/36/83/26/441368326.db2.gz IHLGCKLVXYPOMS-CQSZACIVSA-N 1 2 348.472 1.514 20 30 EDEDLO CC[N@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)C[C@H](C)C#N ZINC000049982571 441368330 /nfs/dbraw/zinc/36/83/30/441368330.db2.gz IHLGCKLVXYPOMS-CQSZACIVSA-N 1 2 348.472 1.514 20 30 EDEDLO CC[N@@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)C[C@@H](C)C#N ZINC000049982570 441368412 /nfs/dbraw/zinc/36/84/12/441368412.db2.gz IHLGCKLVXYPOMS-AWEZNQCLSA-N 1 2 348.472 1.514 20 30 EDEDLO CC[N@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)C[C@@H](C)C#N ZINC000049982570 441368417 /nfs/dbraw/zinc/36/84/17/441368417.db2.gz IHLGCKLVXYPOMS-AWEZNQCLSA-N 1 2 348.472 1.514 20 30 EDEDLO CC[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)C[C@H](C)C#N ZINC000049982350 441368481 /nfs/dbraw/zinc/36/84/81/441368481.db2.gz MSVHNWGNEHNDOP-LLVKDONJSA-N 1 2 332.360 1.545 20 30 EDEDLO CC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)C[C@H](C)C#N ZINC000049982350 441368486 /nfs/dbraw/zinc/36/84/86/441368486.db2.gz MSVHNWGNEHNDOP-LLVKDONJSA-N 1 2 332.360 1.545 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000026156072 441368910 /nfs/dbraw/zinc/36/89/10/441368910.db2.gz AEFBOQCWBRHKLZ-HNNXBMFYSA-N 1 2 346.427 1.753 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000026156072 441368915 /nfs/dbraw/zinc/36/89/15/441368915.db2.gz AEFBOQCWBRHKLZ-HNNXBMFYSA-N 1 2 346.427 1.753 20 30 EDEDLO C[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1cccc(C#N)c1 ZINC000026324310 441374476 /nfs/dbraw/zinc/37/44/76/441374476.db2.gz CTQIHRQGXPHPKR-UHFFFAOYSA-N 1 2 334.379 1.975 20 30 EDEDLO C[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1cccc(C#N)c1 ZINC000026324310 441374479 /nfs/dbraw/zinc/37/44/79/441374479.db2.gz CTQIHRQGXPHPKR-UHFFFAOYSA-N 1 2 334.379 1.975 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000074210143 441407554 /nfs/dbraw/zinc/40/75/54/441407554.db2.gz QSLKJIYVPUQSHD-SJORKVTESA-N 1 2 331.464 1.449 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000051505883 441413864 /nfs/dbraw/zinc/41/38/64/441413864.db2.gz LYNPTVGEIVRTOP-HUUCEWRRSA-N 1 2 331.416 1.766 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000051505883 441413868 /nfs/dbraw/zinc/41/38/68/441413868.db2.gz LYNPTVGEIVRTOP-HUUCEWRRSA-N 1 2 331.416 1.766 20 30 EDEDLO C#CCN(CC#C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000075398252 441523298 /nfs/dbraw/zinc/52/32/98/441523298.db2.gz RJKXEZZDGDPSHG-UHFFFAOYSA-N 1 2 334.379 1.621 20 30 EDEDLO COCCN(CCC#N)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000111661827 441540430 /nfs/dbraw/zinc/54/04/30/441540430.db2.gz CUJQUDLIKGHGOI-UHFFFAOYSA-N 1 2 331.416 1.521 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858395 441692184 /nfs/dbraw/zinc/69/21/84/441692184.db2.gz KSCHPVGTUFIMRD-CJNGLKHVSA-N 1 2 329.400 1.305 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114858395 441692188 /nfs/dbraw/zinc/69/21/88/441692188.db2.gz KSCHPVGTUFIMRD-CJNGLKHVSA-N 1 2 329.400 1.305 20 30 EDEDLO C=C(Cl)CNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000077790491 441861056 /nfs/dbraw/zinc/86/10/56/441861056.db2.gz YJANLQGAYNDYPM-AWEZNQCLSA-N 1 2 342.871 1.467 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCN(c4ncccc4C#N)CC3)n2c1 ZINC000122925499 441868010 /nfs/dbraw/zinc/86/80/10/441868010.db2.gz OOJDLFSXNUVHHE-UHFFFAOYSA-N 1 2 343.394 1.795 20 30 EDEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4ncccc4C#N)CC3)n2c1 ZINC000122925499 441868015 /nfs/dbraw/zinc/86/80/15/441868015.db2.gz OOJDLFSXNUVHHE-UHFFFAOYSA-N 1 2 343.394 1.795 20 30 EDEDLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000122091032 441834769 /nfs/dbraw/zinc/83/47/69/441834769.db2.gz XOXGNJIIVQRDIQ-CQSZACIVSA-N 1 2 344.440 1.935 20 30 EDEDLO COC(=O)c1sccc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000122245510 441842550 /nfs/dbraw/zinc/84/25/50/441842550.db2.gz HFPINBWYNKZMCP-UHFFFAOYSA-N 1 2 337.445 1.583 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnn4cccnc34)CC2)cc1 ZINC000043508011 441844093 /nfs/dbraw/zinc/84/40/93/441844093.db2.gz GXRYIVWVTZNRME-UHFFFAOYSA-N 1 2 346.394 1.559 20 30 EDEDLO C[C@@H](C(=O)N[C@H](C#N)C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117797262 441878621 /nfs/dbraw/zinc/87/86/21/441878621.db2.gz KFPVAWNSDNBYQD-SUMWQHHRSA-N 1 2 330.407 1.755 20 30 EDEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000078518994 441940961 /nfs/dbraw/zinc/94/09/61/441940961.db2.gz JEULITKCPKSDQY-SFHVURJKSA-N 1 2 331.416 1.959 20 30 EDEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000078518994 441940964 /nfs/dbraw/zinc/94/09/64/441940964.db2.gz JEULITKCPKSDQY-SFHVURJKSA-N 1 2 331.416 1.959 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000119645003 441944580 /nfs/dbraw/zinc/94/45/80/441944580.db2.gz DVUWWIZLWLFVJC-CQSZACIVSA-N 1 2 349.456 1.784 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCOC[C@H]1CC(=O)c1cccs1 ZINC000119645003 441944583 /nfs/dbraw/zinc/94/45/83/441944583.db2.gz DVUWWIZLWLFVJC-CQSZACIVSA-N 1 2 349.456 1.784 20 30 EDEDLO C#CCOc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000161014586 441946579 /nfs/dbraw/zinc/94/65/79/441946579.db2.gz MZPPVIYCIRKVPX-GOSISDBHSA-N 1 2 328.412 1.522 20 30 EDEDLO C[C@@H]1CCC[C@H](C)N1C(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078720657 441965879 /nfs/dbraw/zinc/96/58/79/441965879.db2.gz HMSWJDNJOREENR-CALCHBBNSA-N 1 2 336.480 1.324 20 30 EDEDLO CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000126220956 442089832 /nfs/dbraw/zinc/08/98/32/442089832.db2.gz NXQKAPALOPXDIB-IUODEOHRSA-N 1 2 346.431 1.943 20 30 EDEDLO CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000126220956 442089834 /nfs/dbraw/zinc/08/98/34/442089834.db2.gz NXQKAPALOPXDIB-IUODEOHRSA-N 1 2 346.431 1.943 20 30 EDEDLO CCc1cccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000120572363 442096087 /nfs/dbraw/zinc/09/60/87/442096087.db2.gz MYZLUHHUWLQWGW-UHFFFAOYSA-N 1 2 329.444 1.866 20 30 EDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000125879682 442058433 /nfs/dbraw/zinc/05/84/33/442058433.db2.gz JIPXAKHRYAKMMP-YGRLFVJLSA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000125879682 442058438 /nfs/dbraw/zinc/05/84/38/442058438.db2.gz JIPXAKHRYAKMMP-YGRLFVJLSA-N 1 2 343.836 1.209 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3ccccc3SCC#N)C[C@@H]21 ZINC000120954477 442156861 /nfs/dbraw/zinc/15/68/61/442156861.db2.gz NLCNNQGNRJWSKU-GJZGRUSLSA-N 1 2 346.456 1.256 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3ccccc3SCC#N)C[C@@H]21 ZINC000120954477 442156863 /nfs/dbraw/zinc/15/68/63/442156863.db2.gz NLCNNQGNRJWSKU-GJZGRUSLSA-N 1 2 346.456 1.256 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000153624941 442293218 /nfs/dbraw/zinc/29/32/18/442293218.db2.gz QDMSVSDJBPWIOK-HNNXBMFYSA-N 1 2 343.431 1.408 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000153624941 442293219 /nfs/dbraw/zinc/29/32/19/442293219.db2.gz QDMSVSDJBPWIOK-HNNXBMFYSA-N 1 2 343.431 1.408 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171305845 442340684 /nfs/dbraw/zinc/34/06/84/442340684.db2.gz AEAVOANEXYKYNG-HNNXBMFYSA-N 1 2 342.443 1.953 20 30 EDEDLO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000171377417 442344264 /nfs/dbraw/zinc/34/42/64/442344264.db2.gz MMOYPCZEGJSTQD-UHFFFAOYSA-N 1 2 339.436 1.991 20 30 EDEDLO COCCCNC(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000178148432 442411531 /nfs/dbraw/zinc/41/15/31/442411531.db2.gz MJURRAIGQGXHDG-NSHDSACASA-N 1 2 327.812 1.713 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1OCCCC#N ZINC000191532135 442459683 /nfs/dbraw/zinc/45/96/83/442459683.db2.gz YMYXTKPHRVKZBO-GDBMZVCRSA-N 1 2 334.416 1.959 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1OCCCC#N ZINC000191532135 442459687 /nfs/dbraw/zinc/45/96/87/442459687.db2.gz YMYXTKPHRVKZBO-GDBMZVCRSA-N 1 2 334.416 1.959 20 30 EDEDLO Cc1cc(C#N)ccc1CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000186159667 442475816 /nfs/dbraw/zinc/47/58/16/442475816.db2.gz GHGAZNMKAAMFTK-OAHLLOKOSA-N 1 2 326.444 1.651 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178775481 442481893 /nfs/dbraw/zinc/48/18/93/442481893.db2.gz XETATOYQLRJVFR-IBGZPJMESA-N 1 2 346.450 1.998 20 30 EDEDLO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172763132 442538196 /nfs/dbraw/zinc/53/81/96/442538196.db2.gz HFCDIDQTFXZPQJ-HOCLYGCPSA-N 1 2 329.400 1.259 20 30 EDEDLO C#CCCCC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000191964202 442548439 /nfs/dbraw/zinc/54/84/39/442548439.db2.gz VDUMJLXKECKQGF-UHFFFAOYSA-N 1 2 330.428 1.817 20 30 EDEDLO C#CC[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000192236290 442620802 /nfs/dbraw/zinc/62/08/02/442620802.db2.gz PCYKQEQRSDKEMP-UHFFFAOYSA-N 1 2 337.305 1.790 20 30 EDEDLO C#CC[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000192236290 442620807 /nfs/dbraw/zinc/62/08/07/442620807.db2.gz PCYKQEQRSDKEMP-UHFFFAOYSA-N 1 2 337.305 1.790 20 30 EDEDLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n[nH]1 ZINC000187203080 442660270 /nfs/dbraw/zinc/66/02/70/442660270.db2.gz KESOKLOTJLQSED-CQSZACIVSA-N 1 2 338.415 1.739 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182231390 442748110 /nfs/dbraw/zinc/74/81/10/442748110.db2.gz NLHHNMFUXBHEDG-ZDUSSCGKSA-N 1 2 348.413 1.953 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182231390 442748112 /nfs/dbraw/zinc/74/81/12/442748112.db2.gz NLHHNMFUXBHEDG-ZDUSSCGKSA-N 1 2 348.413 1.953 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000268243430 442914813 /nfs/dbraw/zinc/91/48/13/442914813.db2.gz RVHIJIXADJLJCS-AWEZNQCLSA-N 1 2 325.409 1.601 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000268243430 442914816 /nfs/dbraw/zinc/91/48/16/442914816.db2.gz RVHIJIXADJLJCS-AWEZNQCLSA-N 1 2 325.409 1.601 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2noc(-c3cccc(OC)c3)n2)CC1 ZINC000268513757 443017513 /nfs/dbraw/zinc/01/75/13/443017513.db2.gz STDMYEOZOUFYLQ-UHFFFAOYSA-N 1 2 340.383 1.526 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000268707946 443084071 /nfs/dbraw/zinc/08/40/71/443084071.db2.gz STWYXXWYWROTCM-UHFFFAOYSA-N 1 2 330.432 1.209 20 30 EDEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCOC1 ZINC000266492715 443145281 /nfs/dbraw/zinc/14/52/81/443145281.db2.gz DJSMGSIWPJXJDT-QAPCUYQASA-N 1 2 342.443 1.810 20 30 EDEDLO CCS(=O)(=O)CCCCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000190643098 443155400 /nfs/dbraw/zinc/15/54/00/443155400.db2.gz GTPVXUPTYMJRRN-UHFFFAOYSA-N 1 2 333.479 1.888 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185463234 443203525 /nfs/dbraw/zinc/20/35/25/443203525.db2.gz MQGKLRRQZAGGNN-KBXCAEBGSA-N 1 2 340.431 1.972 20 30 EDEDLO CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000245915008 443256223 /nfs/dbraw/zinc/25/62/23/443256223.db2.gz VZZNUASPVOVHQM-UONOGXRCSA-N 1 2 331.416 1.959 20 30 EDEDLO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000245915008 443256226 /nfs/dbraw/zinc/25/62/26/443256226.db2.gz VZZNUASPVOVHQM-UONOGXRCSA-N 1 2 331.416 1.959 20 30 EDEDLO C=CCn1c(C)nnc1N1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000282404078 443328105 /nfs/dbraw/zinc/32/81/05/443328105.db2.gz WTLCWDTWZDZSFX-UHFFFAOYSA-N 1 2 340.431 1.533 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000272583347 443371876 /nfs/dbraw/zinc/37/18/76/443371876.db2.gz SBLNTGASSWCPAP-OAHLLOKOSA-N 1 2 337.427 1.991 20 30 EDEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000278759578 443428456 /nfs/dbraw/zinc/42/84/56/443428456.db2.gz XTVYYEMYPJRWIQ-HIFRSBDPSA-N 1 2 337.420 1.824 20 30 EDEDLO COc1cc(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)ccc1F ZINC000282675834 443405185 /nfs/dbraw/zinc/40/51/85/443405185.db2.gz CSRHSNYDKGLZNG-CQSZACIVSA-N 1 2 348.422 1.717 20 30 EDEDLO C#CCNC(=O)[C@H](C)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000272880899 443477625 /nfs/dbraw/zinc/47/76/25/443477625.db2.gz XZOGVPURFSIZKE-ZDUSSCGKSA-N 1 2 326.375 1.507 20 30 EDEDLO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000282854510 443451931 /nfs/dbraw/zinc/45/19/31/443451931.db2.gz SMHDHPOBIGUZCG-UHFFFAOYSA-N 1 2 340.431 1.605 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000282882481 443459649 /nfs/dbraw/zinc/45/96/49/443459649.db2.gz PWNDAZYWTWOWCL-ZDUSSCGKSA-N 1 2 337.449 1.108 20 30 EDEDLO C#CCOc1ccccc1C[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000271309708 443500458 /nfs/dbraw/zinc/50/04/58/443500458.db2.gz WPBFLSBIFDHRGZ-UHFFFAOYSA-N 1 2 329.429 1.455 20 30 EDEDLO COC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCCO1 ZINC000279087904 443511076 /nfs/dbraw/zinc/51/10/76/443511076.db2.gz OUVVFXQLEMJYOT-HUUCEWRRSA-N 1 2 328.372 1.892 20 30 EDEDLO C#CC[NH+](CC#C)CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000267743823 443562347 /nfs/dbraw/zinc/56/23/47/443562347.db2.gz CSECSSKZPPHELS-UHFFFAOYSA-N 1 2 341.367 1.064 20 30 EDEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000273466767 443575954 /nfs/dbraw/zinc/57/59/54/443575954.db2.gz NUVNWZWDWOOICI-KBPBESRZSA-N 1 2 338.408 1.581 20 30 EDEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000273466767 443575959 /nfs/dbraw/zinc/57/59/59/443575959.db2.gz NUVNWZWDWOOICI-KBPBESRZSA-N 1 2 338.408 1.581 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000275760175 443641260 /nfs/dbraw/zinc/64/12/60/443641260.db2.gz ZSNASYSASSPLRW-GFCCVEGCSA-N 1 2 325.372 1.644 20 30 EDEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](CC(=O)N[C@@H](C)CC)CC1 ZINC000283384672 443619148 /nfs/dbraw/zinc/61/91/48/443619148.db2.gz VJPLHUYZDRPAML-AWEZNQCLSA-N 1 2 334.468 1.199 20 30 EDEDLO CC1(C)C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@H]1O ZINC000279982679 443653354 /nfs/dbraw/zinc/65/33/54/443653354.db2.gz ZPISIIVFJMXNPK-IUODEOHRSA-N 1 2 340.383 1.214 20 30 EDEDLO CC1(C)C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C[C@H]1O ZINC000279982679 443653355 /nfs/dbraw/zinc/65/33/55/443653355.db2.gz ZPISIIVFJMXNPK-IUODEOHRSA-N 1 2 340.383 1.214 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC)CC1 ZINC000283635932 443678222 /nfs/dbraw/zinc/67/82/22/443678222.db2.gz BVOGKJZZIRMJDI-UHFFFAOYSA-N 1 2 330.823 1.769 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000280370021 443704624 /nfs/dbraw/zinc/70/46/24/443704624.db2.gz WAUGVCBBIBGAII-JJRVBVJISA-N 1 2 345.447 1.073 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000280370021 443704626 /nfs/dbraw/zinc/70/46/26/443704626.db2.gz WAUGVCBBIBGAII-JJRVBVJISA-N 1 2 345.447 1.073 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000286677415 443720654 /nfs/dbraw/zinc/72/06/54/443720654.db2.gz PYAUHVBWCIRYGZ-UHFFFAOYSA-N 1 2 331.800 1.204 20 30 EDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000298259427 443732367 /nfs/dbraw/zinc/73/23/67/443732367.db2.gz VHHNUSXSIZJEEY-QGZVFWFLSA-N 1 2 326.375 1.800 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000298259427 443732370 /nfs/dbraw/zinc/73/23/70/443732370.db2.gz VHHNUSXSIZJEEY-QGZVFWFLSA-N 1 2 326.375 1.800 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000280762498 443743956 /nfs/dbraw/zinc/74/39/56/443743956.db2.gz OJEMMWIYFGODKH-OLUVUFQESA-N 1 2 333.388 1.836 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C[C@H]1C ZINC000280762498 443743960 /nfs/dbraw/zinc/74/39/60/443743960.db2.gz OJEMMWIYFGODKH-OLUVUFQESA-N 1 2 333.388 1.836 20 30 EDEDLO C=CCCS(=O)(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000284765455 443787808 /nfs/dbraw/zinc/78/78/08/443787808.db2.gz PDKNCEQGWKJAGT-IRXDYDNUSA-N 1 2 338.473 1.896 20 30 EDEDLO C=CCCS(=O)(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284765455 443787812 /nfs/dbraw/zinc/78/78/12/443787812.db2.gz PDKNCEQGWKJAGT-IRXDYDNUSA-N 1 2 338.473 1.896 20 30 EDEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)NCc1ccc(Cl)cc1 ZINC000284075456 443763357 /nfs/dbraw/zinc/76/33/57/443763357.db2.gz KFKOEYQNVSNHEO-GXFFZTMASA-N 1 2 325.796 1.813 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1c[nH+]cn1C ZINC000291749580 443766288 /nfs/dbraw/zinc/76/62/88/443766288.db2.gz CXRGKHKOEIJXHD-UHFFFAOYSA-N 1 2 327.388 1.650 20 30 EDEDLO NC(=[NH+]OCC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCO1 ZINC000284394528 443774204 /nfs/dbraw/zinc/77/42/04/443774204.db2.gz MRIKWEPZIRELDP-NSHDSACASA-N 1 2 347.293 1.992 20 30 EDEDLO CCOCc1ccc(CNC(=O)CO[NH+]=C(N)[C@@H]2CCCO2)cc1 ZINC000284562853 443779695 /nfs/dbraw/zinc/77/96/95/443779695.db2.gz WLXLNSYVNJAXTO-HNNXBMFYSA-N 1 2 335.404 1.307 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)N2CCc3ccccc32)C1=O ZINC000281323669 443880161 /nfs/dbraw/zinc/88/01/61/443880161.db2.gz LLQFPSJIJRHHLL-PBHICJAKSA-N 1 2 327.428 1.683 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)N2CCc3ccccc32)C1=O ZINC000281323669 443880167 /nfs/dbraw/zinc/88/01/67/443880167.db2.gz LLQFPSJIJRHHLL-PBHICJAKSA-N 1 2 327.428 1.683 20 30 EDEDLO N#C[C@@H](C(=O)C[N@H+]1CCCC[C@H]1CO)c1nc2ccccc2c(=O)[nH]1 ZINC000298756481 443859909 /nfs/dbraw/zinc/85/99/09/443859909.db2.gz OSRHCLWTXPDOHY-JSGCOSHPSA-N 1 2 340.383 1.358 20 30 EDEDLO N#C[C@@H](C(=O)C[N@@H+]1CCCC[C@H]1CO)c1nc2ccccc2c(=O)[nH]1 ZINC000298756481 443859912 /nfs/dbraw/zinc/85/99/12/443859912.db2.gz OSRHCLWTXPDOHY-JSGCOSHPSA-N 1 2 340.383 1.358 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1)C1CC1 ZINC000281565437 443945624 /nfs/dbraw/zinc/94/56/24/443945624.db2.gz DANJYONKNJXJAI-XYJFISCASA-N 1 2 331.391 1.742 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1)C1CC1 ZINC000281565437 443945630 /nfs/dbraw/zinc/94/56/30/443945630.db2.gz DANJYONKNJXJAI-XYJFISCASA-N 1 2 331.391 1.742 20 30 EDEDLO C=CC[C@@H](C)NC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000288743617 443970763 /nfs/dbraw/zinc/97/07/63/443970763.db2.gz DEBCYEISZFDUOS-ILXRZTDVSA-N 1 2 337.443 1.939 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285503305 444009789 /nfs/dbraw/zinc/00/97/89/444009789.db2.gz FKJKSBFLVSPTKA-HNNXBMFYSA-N 1 2 337.445 1.423 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285503305 444009792 /nfs/dbraw/zinc/00/97/92/444009792.db2.gz FKJKSBFLVSPTKA-HNNXBMFYSA-N 1 2 337.445 1.423 20 30 EDEDLO C=CC[N@@H+](CCC(=O)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000285536346 444020544 /nfs/dbraw/zinc/02/05/44/444020544.db2.gz HGONFELZIWJSPF-OAHLLOKOSA-N 1 2 337.441 1.943 20 30 EDEDLO C=CC[N@H+](CCC(=O)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000285536346 444020550 /nfs/dbraw/zinc/02/05/50/444020550.db2.gz HGONFELZIWJSPF-OAHLLOKOSA-N 1 2 337.441 1.943 20 30 EDEDLO C#CCC(CC#C)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000289150443 444064535 /nfs/dbraw/zinc/06/45/35/444064535.db2.gz VGNKKMZVOSILSL-UHFFFAOYSA-N 1 2 334.423 1.641 20 30 EDEDLO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560988665 321030487 /nfs/dbraw/zinc/03/04/87/321030487.db2.gz AJYPEQAFPIZGJH-UHFFFAOYSA-N 1 2 333.351 1.803 20 30 EDEDLO CN(C)[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1)c1c[nH+]cn1C ZINC000294027509 444100036 /nfs/dbraw/zinc/10/00/36/444100036.db2.gz ZNJJGUBVIJYSFZ-SOLBZPMBSA-N 1 2 337.427 1.789 20 30 EDEDLO C=CCC(F)(F)C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000294518859 444119877 /nfs/dbraw/zinc/11/98/77/444119877.db2.gz LKFZPQQGSOWDDO-NSHDSACASA-N 1 2 325.363 1.303 20 30 EDEDLO C=CCC(F)(F)C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000294518859 444119881 /nfs/dbraw/zinc/11/98/81/444119881.db2.gz LKFZPQQGSOWDDO-NSHDSACASA-N 1 2 325.363 1.303 20 30 EDEDLO Cn1ccnc1[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000572714901 321436201 /nfs/dbraw/zinc/43/62/01/321436201.db2.gz BCDQCDSTFYBABO-HNNXBMFYSA-N 1 2 345.428 1.201 20 30 EDEDLO CCCCOC[C@H](O)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000289492308 444158452 /nfs/dbraw/zinc/15/84/52/444158452.db2.gz PDXUPKSDFOCONQ-CQSZACIVSA-N 1 2 338.477 1.623 20 30 EDEDLO COCCN(CCC#N)S(=O)(=O)NCCCc1[nH+]cccc1C ZINC000296189242 444211056 /nfs/dbraw/zinc/21/10/56/444211056.db2.gz UTOJGZXUVIFIMI-UHFFFAOYSA-N 1 2 340.449 1.019 20 30 EDEDLO Cc1ccc(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)nc1C#N ZINC000302725175 444221247 /nfs/dbraw/zinc/22/12/47/444221247.db2.gz RLYDAQNEMPZANI-INIZCTEOSA-N 1 2 341.459 1.785 20 30 EDEDLO CC1(C)C[C@@H](O)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000296091191 444204061 /nfs/dbraw/zinc/20/40/61/444204061.db2.gz PSACCUKADGXTOI-AWEZNQCLSA-N 1 2 337.445 1.210 20 30 EDEDLO CC1(C)C[C@@H](O)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000296091191 444204063 /nfs/dbraw/zinc/20/40/63/444204063.db2.gz PSACCUKADGXTOI-AWEZNQCLSA-N 1 2 337.445 1.210 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000296695932 444248251 /nfs/dbraw/zinc/24/82/51/444248251.db2.gz MGEURWUGHIMPED-MRXNPFEDSA-N 1 2 344.415 1.706 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000296695932 444248254 /nfs/dbraw/zinc/24/82/54/444248254.db2.gz MGEURWUGHIMPED-MRXNPFEDSA-N 1 2 344.415 1.706 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N2CCc3ccccc3C2)CC1 ZINC000297421962 444285429 /nfs/dbraw/zinc/28/54/29/444285429.db2.gz DSSSAPWQHLLEEH-UHFFFAOYSA-N 1 2 340.427 1.018 20 30 EDEDLO C=CCOc1cccc(C[N@@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000290514981 444289990 /nfs/dbraw/zinc/28/99/90/444289990.db2.gz PUMPLNORQTUUDY-MRXNPFEDSA-N 1 2 339.457 1.887 20 30 EDEDLO C=CCOc1cccc(C[N@H+](CCOC)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000290514981 444289991 /nfs/dbraw/zinc/28/99/91/444289991.db2.gz PUMPLNORQTUUDY-MRXNPFEDSA-N 1 2 339.457 1.887 20 30 EDEDLO CCN1CCN(CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331004613 444355558 /nfs/dbraw/zinc/35/55/58/444355558.db2.gz SFKZSZWPNKHEKF-RHSMWYFYSA-N 1 2 332.452 1.143 20 30 EDEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000328838282 444369839 /nfs/dbraw/zinc/36/98/39/444369839.db2.gz YEYANEQPGUMTOB-ARFHVFGLSA-N 1 2 330.432 1.933 20 30 EDEDLO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000328927146 444406547 /nfs/dbraw/zinc/40/65/47/444406547.db2.gz WXCRUFRNIAEVOF-QWHCGFSZSA-N 1 2 329.408 1.944 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCC[C@H](n3cncn3)C1)CCC2 ZINC000328649577 444413738 /nfs/dbraw/zinc/41/37/38/444413738.db2.gz ISNKSZWEEZQFHT-GJZGRUSLSA-N 1 2 343.435 1.912 20 30 EDEDLO CCn1cnnc1[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000328654087 444415769 /nfs/dbraw/zinc/41/57/69/444415769.db2.gz XDSUTEVOFJLJKQ-INIZCTEOSA-N 1 2 327.388 1.622 20 30 EDEDLO CCn1cnnc1[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000328654087 444415772 /nfs/dbraw/zinc/41/57/72/444415772.db2.gz XDSUTEVOFJLJKQ-INIZCTEOSA-N 1 2 327.388 1.622 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCNC(=O)C3CCCCC3)C[C@@H]21 ZINC000328872626 444383487 /nfs/dbraw/zinc/38/34/87/444383487.db2.gz DXILJNOKEMZIAZ-JKSUJKDBSA-N 1 2 337.464 1.845 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)CCNC(=O)C3CCCCC3)C[C@@H]21 ZINC000328872626 444383490 /nfs/dbraw/zinc/38/34/90/444383490.db2.gz DXILJNOKEMZIAZ-JKSUJKDBSA-N 1 2 337.464 1.845 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCOC[C@@H]1c1ncnn1C ZINC000328885831 444387958 /nfs/dbraw/zinc/38/79/58/444387958.db2.gz OOHCAODKZMDQQT-CYBMUJFWSA-N 1 2 347.423 1.155 20 30 EDEDLO CC(C)C(=O)Nc1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ccn1 ZINC000328910260 444398574 /nfs/dbraw/zinc/39/85/74/444398574.db2.gz FJSMQGZZNVRZRG-ZIAGYGMSSA-N 1 2 332.404 1.481 20 30 EDEDLO CC(C)C(=O)Nc1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)ccn1 ZINC000328910260 444398575 /nfs/dbraw/zinc/39/85/75/444398575.db2.gz FJSMQGZZNVRZRG-ZIAGYGMSSA-N 1 2 332.404 1.481 20 30 EDEDLO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000331261680 444459456 /nfs/dbraw/zinc/45/94/56/444459456.db2.gz CJICRXQQEXBWMA-UHFFFAOYSA-N 1 2 330.388 1.121 20 30 EDEDLO Cn1cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c(C(F)(F)F)n1 ZINC000329057073 444460717 /nfs/dbraw/zinc/46/07/17/444460717.db2.gz SUTLHOAUAPGRFS-QWRGUYRKSA-N 1 2 347.341 1.389 20 30 EDEDLO Cn1cc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C(F)(F)F)n1 ZINC000329057073 444460720 /nfs/dbraw/zinc/46/07/20/444460720.db2.gz SUTLHOAUAPGRFS-QWRGUYRKSA-N 1 2 347.341 1.389 20 30 EDEDLO Cn1cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c(C(F)(F)F)n1 ZINC000329057071 444460755 /nfs/dbraw/zinc/46/07/55/444460755.db2.gz SUTLHOAUAPGRFS-MNOVXSKESA-N 1 2 347.341 1.389 20 30 EDEDLO Cn1cc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c(C(F)(F)F)n1 ZINC000329057071 444460759 /nfs/dbraw/zinc/46/07/59/444460759.db2.gz SUTLHOAUAPGRFS-MNOVXSKESA-N 1 2 347.341 1.389 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c(C#N)c1C ZINC000331176805 444432586 /nfs/dbraw/zinc/43/25/86/444432586.db2.gz PUWWTMAYVHGYHD-RISCZKNCSA-N 1 2 337.445 1.647 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c(C#N)c1C ZINC000331176805 444432589 /nfs/dbraw/zinc/43/25/89/444432589.db2.gz PUWWTMAYVHGYHD-RISCZKNCSA-N 1 2 337.445 1.647 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(C#N)cn2)cc1 ZINC000581465325 322180081 /nfs/dbraw/zinc/18/00/81/322180081.db2.gz WMEOGBBCWMGATR-UHFFFAOYSA-N 1 2 344.440 1.672 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(C#N)cn2)cc1 ZINC000581465325 322180082 /nfs/dbraw/zinc/18/00/82/322180082.db2.gz WMEOGBBCWMGATR-UHFFFAOYSA-N 1 2 344.440 1.672 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000329235083 444508716 /nfs/dbraw/zinc/50/87/16/444508716.db2.gz NEYBYZHQTGDYAW-YLFCFFPRSA-N 1 2 339.480 1.901 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(SCC#N)c3)C[C@@H]21 ZINC000332522645 444518561 /nfs/dbraw/zinc/51/85/61/444518561.db2.gz MYLKROGWQFPFNV-JKSUJKDBSA-N 1 2 331.441 1.847 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(SCC#N)c3)C[C@@H]21 ZINC000332522645 444518565 /nfs/dbraw/zinc/51/85/65/444518565.db2.gz MYLKROGWQFPFNV-JKSUJKDBSA-N 1 2 331.441 1.847 20 30 EDEDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000329300942 444526888 /nfs/dbraw/zinc/52/68/88/444526888.db2.gz MSFDDTWRILDSMH-NRKLIOEPSA-N 1 2 339.480 1.493 20 30 EDEDLO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000329300942 444526892 /nfs/dbraw/zinc/52/68/92/444526892.db2.gz MSFDDTWRILDSMH-NRKLIOEPSA-N 1 2 339.480 1.493 20 30 EDEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(=O)N(C)C3)n2)C1 ZINC000329326856 444536261 /nfs/dbraw/zinc/53/62/61/444536261.db2.gz WYFOBQYESUXERX-NSHDSACASA-N 1 2 337.449 1.652 20 30 EDEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(=O)N(C)C3)n2)C1 ZINC000329326856 444536264 /nfs/dbraw/zinc/53/62/64/444536264.db2.gz WYFOBQYESUXERX-NSHDSACASA-N 1 2 337.449 1.652 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)NCCCC#N)c[nH+]2)C[C@@H](C)O1 ZINC000343787677 444591556 /nfs/dbraw/zinc/59/15/56/444591556.db2.gz ANUKFJAWVPXWTG-ZIAGYGMSSA-N 1 2 331.420 1.798 20 30 EDEDLO Cc1nn(C)c2cc(NC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)ccc12 ZINC000329622375 444652546 /nfs/dbraw/zinc/65/25/46/444652546.db2.gz NKVKKBWMTGIAAG-CQSZACIVSA-N 1 2 330.436 1.453 20 30 EDEDLO Cc1nn(C)c2cc(NC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)ccc12 ZINC000329622375 444652549 /nfs/dbraw/zinc/65/25/49/444652549.db2.gz NKVKKBWMTGIAAG-CQSZACIVSA-N 1 2 330.436 1.453 20 30 EDEDLO CC#CCN(C)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000341067955 444660235 /nfs/dbraw/zinc/66/02/35/444660235.db2.gz RRDRXXBSQZZOGQ-MRXNPFEDSA-N 1 2 330.432 1.499 20 30 EDEDLO CC#CCN(C)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000341067955 444660240 /nfs/dbraw/zinc/66/02/40/444660240.db2.gz RRDRXXBSQZZOGQ-MRXNPFEDSA-N 1 2 330.432 1.499 20 30 EDEDLO Cc1cc2cc(CNC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)ccc2[nH]1 ZINC000329695877 444682869 /nfs/dbraw/zinc/68/28/69/444682869.db2.gz DHLNGKUTEFCZOH-IRXDYDNUSA-N 1 2 328.416 1.905 20 30 EDEDLO Cc1cc2cc(CNC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)ccc2[nH]1 ZINC000329695877 444682870 /nfs/dbraw/zinc/68/28/70/444682870.db2.gz DHLNGKUTEFCZOH-IRXDYDNUSA-N 1 2 328.416 1.905 20 30 EDEDLO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CC(=O)N(C)C1=O ZINC000338329985 444638186 /nfs/dbraw/zinc/63/81/86/444638186.db2.gz AAQTYYVXKGCRCY-CQSZACIVSA-N 1 2 348.447 1.141 20 30 EDEDLO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CC(=O)N(C)C1=O ZINC000338329985 444638189 /nfs/dbraw/zinc/63/81/89/444638189.db2.gz AAQTYYVXKGCRCY-CQSZACIVSA-N 1 2 348.447 1.141 20 30 EDEDLO Cn1ncc2c1CCC[N@@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000333155537 444643195 /nfs/dbraw/zinc/64/31/95/444643195.db2.gz NAHZLWVNRQUNHT-HNNXBMFYSA-N 1 2 341.440 1.907 20 30 EDEDLO Cn1ncc2c1CCC[N@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000333155537 444643199 /nfs/dbraw/zinc/64/31/99/444643199.db2.gz NAHZLWVNRQUNHT-HNNXBMFYSA-N 1 2 341.440 1.907 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000329608295 444646187 /nfs/dbraw/zinc/64/61/87/444646187.db2.gz IQXHZFXDCYZBDT-KGLIPLIRSA-N 1 2 338.452 1.789 20 30 EDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCOCC2(CCOCC2)C1 ZINC000329748669 444700003 /nfs/dbraw/zinc/70/00/03/444700003.db2.gz GYKBCBLNRJCYGH-HNNXBMFYSA-N 1 2 348.447 1.804 20 30 EDEDLO O=C(Nc1cnn(-c2ncccn2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329796559 444720838 /nfs/dbraw/zinc/72/08/38/444720838.db2.gz DXIIFYVZNSNWQI-GFCCVEGCSA-N 1 2 338.375 1.811 20 30 EDEDLO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329842452 444736887 /nfs/dbraw/zinc/73/68/87/444736887.db2.gz KKQQTNJHQIIOFX-CABCVRRESA-N 1 2 328.420 1.851 20 30 EDEDLO Cc1nsc(N2CC[NH+]([C@@H](C)CN3CCOCC3)CC2)c1C#N ZINC000329852782 444740266 /nfs/dbraw/zinc/74/02/66/444740266.db2.gz RSDBZIZKIMOLMZ-ZDUSSCGKSA-N 1 2 335.477 1.166 20 30 EDEDLO CCc1nc2n(n1)C[C@H]([NH+]=C([O-])NC[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000329892184 444756152 /nfs/dbraw/zinc/75/61/52/444756152.db2.gz IVPAPADSWNGQKM-CHWSQXEVSA-N 1 2 343.435 1.118 20 30 EDEDLO CCc1nc2n(n1)C[C@H](NC([O-])=[NH+]C[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000329892184 444756155 /nfs/dbraw/zinc/75/61/55/444756155.db2.gz IVPAPADSWNGQKM-CHWSQXEVSA-N 1 2 343.435 1.118 20 30 EDEDLO CCc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000329892184 444756160 /nfs/dbraw/zinc/75/61/60/444756160.db2.gz IVPAPADSWNGQKM-CHWSQXEVSA-N 1 2 343.435 1.118 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)CC1 ZINC000329926553 444772418 /nfs/dbraw/zinc/77/24/18/444772418.db2.gz WHNBIASFTIAGBT-NXHRZFHOSA-N 1 2 348.491 1.178 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)CC1 ZINC000329926553 444772422 /nfs/dbraw/zinc/77/24/22/444772422.db2.gz WHNBIASFTIAGBT-NXHRZFHOSA-N 1 2 348.491 1.178 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329944760 444780474 /nfs/dbraw/zinc/78/04/74/444780474.db2.gz FJVBMOPJGWYEPY-YLQAJVPDSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329944760 444780480 /nfs/dbraw/zinc/78/04/80/444780480.db2.gz FJVBMOPJGWYEPY-YLQAJVPDSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000329944760 444780486 /nfs/dbraw/zinc/78/04/86/444780486.db2.gz FJVBMOPJGWYEPY-YLQAJVPDSA-N 1 2 349.431 1.695 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2C[C@H]3OCCN(C)[C@H]3C2)c1 ZINC000329944760 444780494 /nfs/dbraw/zinc/78/04/94/444780494.db2.gz FJVBMOPJGWYEPY-YLQAJVPDSA-N 1 2 349.431 1.695 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341331747 444782226 /nfs/dbraw/zinc/78/22/26/444782226.db2.gz QBDMRFCGXVNAAS-ZIAGYGMSSA-N 1 2 334.420 1.009 20 30 EDEDLO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330003665 444807705 /nfs/dbraw/zinc/80/77/05/444807705.db2.gz ZWLNKWHPFLEVPJ-NSHDSACASA-N 1 2 336.436 1.813 20 30 EDEDLO Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330003665 444807709 /nfs/dbraw/zinc/80/77/09/444807709.db2.gz ZWLNKWHPFLEVPJ-NSHDSACASA-N 1 2 336.436 1.813 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCN1C ZINC000329965091 444791073 /nfs/dbraw/zinc/79/10/73/444791073.db2.gz QYHPHHJZJUVNPF-XQLPTFJDSA-N 1 2 347.463 1.436 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000341431373 444826852 /nfs/dbraw/zinc/82/68/52/444826852.db2.gz JXZYPLBOJPQDTK-CYBMUJFWSA-N 1 2 342.399 1.326 20 30 EDEDLO C[C@@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)c1nnc2n1CCCC2 ZINC000330093115 444841039 /nfs/dbraw/zinc/84/10/39/444841039.db2.gz ZKWKNSJPAOCVAE-GFCCVEGCSA-N 1 2 343.435 1.912 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)N[C@H]3CCCc4c[nH]nc43)CC2)cn1 ZINC000330142953 444860800 /nfs/dbraw/zinc/86/08/00/444860800.db2.gz QVXCBXDHRQTXOZ-HNNXBMFYSA-N 1 2 343.435 1.252 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000341546293 444886458 /nfs/dbraw/zinc/88/64/58/444886458.db2.gz MIXYTSDPONCUMT-UHFFFAOYSA-N 1 2 341.415 1.338 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330412727 444970614 /nfs/dbraw/zinc/97/06/14/444970614.db2.gz MDCMEMCIJYURGV-HDMKZQKVSA-N 1 2 336.480 1.666 20 30 EDEDLO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330412727 444970617 /nfs/dbraw/zinc/97/06/17/444970617.db2.gz MDCMEMCIJYURGV-HDMKZQKVSA-N 1 2 336.480 1.666 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CCO1 ZINC000330329261 444939231 /nfs/dbraw/zinc/93/92/31/444939231.db2.gz MJMOHFXSERCTKE-XVLPMQGWSA-N 1 2 348.447 1.957 20 30 EDEDLO C[C@@H]1CCS(=O)(=O)CCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000330338603 444942476 /nfs/dbraw/zinc/94/24/76/444942476.db2.gz VPNFEFLJPWVDAE-OLZOCXBDSA-N 1 2 340.449 1.184 20 30 EDEDLO CO[C@@H]1C[C@@H](C(N)=O)[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000344519351 445029863 /nfs/dbraw/zinc/02/98/63/445029863.db2.gz BNTNCOAOVVADSK-KGLIPLIRSA-N 1 2 326.318 1.632 20 30 EDEDLO CO[C@@H]1C[C@@H](C(N)=O)[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000344519351 445029865 /nfs/dbraw/zinc/02/98/65/445029865.db2.gz BNTNCOAOVVADSK-KGLIPLIRSA-N 1 2 326.318 1.632 20 30 EDEDLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)N(C)CCC#N ZINC000337219644 444991117 /nfs/dbraw/zinc/99/11/17/444991117.db2.gz KCNFSCWKTUDMGZ-GWCFXTLKSA-N 1 2 327.787 1.863 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](CCCC)C(=O)Nc2cc(C)on2)C1=O ZINC000337235735 444997252 /nfs/dbraw/zinc/99/72/52/444997252.db2.gz XUOYUZUCGJMCHQ-GJZGRUSLSA-N 1 2 348.447 2.199 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](CCCC)C(=O)Nc2cc(C)on2)C1=O ZINC000337235735 444997253 /nfs/dbraw/zinc/99/72/53/444997253.db2.gz XUOYUZUCGJMCHQ-GJZGRUSLSA-N 1 2 348.447 2.199 20 30 EDEDLO N#Cc1ncn(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000341901104 445062084 /nfs/dbraw/zinc/06/20/84/445062084.db2.gz MPTQWMWPJZHMMU-UHFFFAOYSA-N 1 2 327.392 1.065 20 30 EDEDLO CCSc1nnc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)s1 ZINC000330632180 445070811 /nfs/dbraw/zinc/07/08/11/445070811.db2.gz HJQBYYMTRFPTMY-ZJUUUORDSA-N 1 2 345.494 2.085 20 30 EDEDLO CO[C@H]1C[C@H](c2nnc(C)[nH]2)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000344652983 445106455 /nfs/dbraw/zinc/10/64/55/445106455.db2.gz GFLUXHJYCZZELU-JKSUJKDBSA-N 1 2 327.388 1.826 20 30 EDEDLO CO[C@H]1C[C@H](c2nnc(C)[nH]2)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000344652983 445106458 /nfs/dbraw/zinc/10/64/58/445106458.db2.gz GFLUXHJYCZZELU-JKSUJKDBSA-N 1 2 327.388 1.826 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000330741879 445121897 /nfs/dbraw/zinc/12/18/97/445121897.db2.gz BMIKADDCQQUAHK-AWEZNQCLSA-N 1 2 338.452 1.340 20 30 EDEDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000330741879 445121901 /nfs/dbraw/zinc/12/19/01/445121901.db2.gz BMIKADDCQQUAHK-AWEZNQCLSA-N 1 2 338.452 1.340 20 30 EDEDLO C[C@H](CNC(=O)Nc1cn(C)nc1C(F)(F)F)[NH+]1CCOCC1 ZINC000330874830 445176822 /nfs/dbraw/zinc/17/68/22/445176822.db2.gz INZJEAIALQCDLV-SECBINFHSA-N 1 2 335.330 1.486 20 30 EDEDLO CN1C[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CCC1=O ZINC000330897773 445187109 /nfs/dbraw/zinc/18/71/09/445187109.db2.gz UKBIBJUTZGZUPF-SECBINFHSA-N 1 2 333.314 1.070 20 30 EDEDLO COC1CCC(N(C)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000330825432 445155749 /nfs/dbraw/zinc/15/57/49/445155749.db2.gz VUGDWUDKTSPYID-WXLSXGNJSA-N 1 2 327.469 1.899 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)[C@H](C#N)CCc1ccccc1)[NH+]1CCOCC1 ZINC000346307280 445211495 /nfs/dbraw/zinc/21/14/95/445211495.db2.gz PWNUUPVNIRPYBA-JZXOWHBKSA-N 1 2 329.444 1.984 20 30 EDEDLO CC#CCCCC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000347517587 445240405 /nfs/dbraw/zinc/24/04/05/445240405.db2.gz PIBNUUOFTRPNOC-DNVCBOLYSA-N 1 2 342.443 1.924 20 30 EDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000362423833 445374323 /nfs/dbraw/zinc/37/43/23/445374323.db2.gz CHMLTKRVLZPVHS-OAHLLOKOSA-N 1 2 340.345 1.894 20 30 EDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000362423833 445374325 /nfs/dbraw/zinc/37/43/25/445374325.db2.gz CHMLTKRVLZPVHS-OAHLLOKOSA-N 1 2 340.345 1.894 20 30 EDEDLO CCn1nccc1CN(C)CC#CC[N@H+](C)Cc1ccnn1CC ZINC000352370019 445523536 /nfs/dbraw/zinc/52/35/36/445523536.db2.gz VPQDIUGZEAWBGB-UHFFFAOYSA-N 1 2 328.464 1.687 20 30 EDEDLO CCn1nccc1CN(C)CC#CC[N@@H+](C)Cc1ccnn1CC ZINC000352370019 445523542 /nfs/dbraw/zinc/52/35/42/445523542.db2.gz VPQDIUGZEAWBGB-UHFFFAOYSA-N 1 2 328.464 1.687 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000359924987 445490923 /nfs/dbraw/zinc/49/09/23/445490923.db2.gz PSYJHGHCTSTDRT-UHFFFAOYSA-N 1 2 342.424 1.773 20 30 EDEDLO N#CC1(CS(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCC1 ZINC000352868193 445560189 /nfs/dbraw/zinc/56/01/89/445560189.db2.gz CHSCFOIMJPIQIX-AWEZNQCLSA-N 1 2 334.445 1.664 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352550243 445537545 /nfs/dbraw/zinc/53/75/45/445537545.db2.gz LQFDMJXFMMSLRT-HUUCEWRRSA-N 1 2 345.509 1.155 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000352550243 445537548 /nfs/dbraw/zinc/53/75/48/445537548.db2.gz LQFDMJXFMMSLRT-HUUCEWRRSA-N 1 2 345.509 1.155 20 30 EDEDLO C=C[C@@H](CO)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000358525973 445633312 /nfs/dbraw/zinc/63/33/12/445633312.db2.gz DZZNSLSWECSPPU-JTQLQIEISA-N 1 2 339.193 1.443 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCC2)C[C@@H]1Cc1ccccc1 ZINC000349877834 445709021 /nfs/dbraw/zinc/70/90/21/445709021.db2.gz RHDFUPPCNZYGIQ-KRWDZBQOSA-N 1 2 347.484 1.869 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCC2)C[C@@H]1Cc1ccccc1 ZINC000349877834 445709023 /nfs/dbraw/zinc/70/90/23/445709023.db2.gz RHDFUPPCNZYGIQ-KRWDZBQOSA-N 1 2 347.484 1.869 20 30 EDEDLO CCN1CCO[C@@H](C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000363496951 445831788 /nfs/dbraw/zinc/83/17/88/445831788.db2.gz ULHHSSAVGQHGIL-MRXNPFEDSA-N 1 2 332.423 1.540 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361601511 445842460 /nfs/dbraw/zinc/84/24/60/445842460.db2.gz GPUIHMQGOJDZQL-MSOLQXFVSA-N 1 2 337.464 1.701 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361601511 445842462 /nfs/dbraw/zinc/84/24/62/445842462.db2.gz GPUIHMQGOJDZQL-MSOLQXFVSA-N 1 2 337.464 1.701 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 ZINC000363535624 445848082 /nfs/dbraw/zinc/84/80/82/445848082.db2.gz UEKDNDILUMZBRK-HNNXBMFYSA-N 1 2 337.383 1.038 20 30 EDEDLO C=CC1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)CC1 ZINC000363698571 445870201 /nfs/dbraw/zinc/87/02/01/445870201.db2.gz OLBBTYTURYKTCS-SFHVURJKSA-N 1 2 337.464 1.475 20 30 EDEDLO CO[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(O)cc1 ZINC000354090321 445896027 /nfs/dbraw/zinc/89/60/27/445896027.db2.gz IRKGOZNSWRMEAP-KRWDZBQOSA-N 1 2 347.415 1.154 20 30 EDEDLO N#CCSCCC[N@H+]1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000364693686 445946881 /nfs/dbraw/zinc/94/68/81/445946881.db2.gz DVFAXPMGOHVSJR-GFCCVEGCSA-N 1 2 335.433 1.746 20 30 EDEDLO N#CCSCCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000364693686 445946887 /nfs/dbraw/zinc/94/68/87/445946887.db2.gz DVFAXPMGOHVSJR-GFCCVEGCSA-N 1 2 335.433 1.746 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)N1CCCN(c2ncccc2C#N)CC1 ZINC000366116177 446023882 /nfs/dbraw/zinc/02/38/82/446023882.db2.gz ULLXJOWVDUOLHR-UHFFFAOYSA-N 1 2 339.403 1.109 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000354226879 446024420 /nfs/dbraw/zinc/02/44/20/446024420.db2.gz XTNYWRPLLDKWFM-UHFFFAOYSA-N 1 2 343.362 1.805 20 30 EDEDLO C=CC1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000354208525 446003421 /nfs/dbraw/zinc/00/34/21/446003421.db2.gz YKVIRUKMGLLXIE-INIZCTEOSA-N 1 2 332.448 1.908 20 30 EDEDLO C=CC1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000354208525 446003422 /nfs/dbraw/zinc/00/34/22/446003422.db2.gz YKVIRUKMGLLXIE-INIZCTEOSA-N 1 2 332.448 1.908 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000584002867 326182295 /nfs/dbraw/zinc/18/22/95/326182295.db2.gz NQWNRJJNLQQCNO-ROUUACIJSA-N 1 2 343.427 1.569 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@]2(CCCOC2)O1 ZINC000369800498 446156787 /nfs/dbraw/zinc/15/67/87/446156787.db2.gz VLVLNAGGXLRNJF-NJAFHUGGSA-N 1 2 335.448 1.455 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@]2(CCCOC2)O1 ZINC000369800498 446156790 /nfs/dbraw/zinc/15/67/90/446156790.db2.gz VLVLNAGGXLRNJF-NJAFHUGGSA-N 1 2 335.448 1.455 20 30 EDEDLO N#Cc1c(NC(=O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)sc2c1CCCCC2 ZINC000366415506 446201602 /nfs/dbraw/zinc/20/16/02/446201602.db2.gz JUZNNJKFZHAYTO-FICVDOATSA-N 1 2 345.468 1.997 20 30 EDEDLO N#Cc1c(NC(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)sc2c1CCCCC2 ZINC000366415506 446201606 /nfs/dbraw/zinc/20/16/06/446201606.db2.gz JUZNNJKFZHAYTO-FICVDOATSA-N 1 2 345.468 1.997 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000370376403 446253632 /nfs/dbraw/zinc/25/36/32/446253632.db2.gz AAUGYZAOZGQHRH-IAGOWNOFSA-N 1 2 329.400 1.054 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000370376403 446253634 /nfs/dbraw/zinc/25/36/34/446253634.db2.gz AAUGYZAOZGQHRH-IAGOWNOFSA-N 1 2 329.400 1.054 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@]2(CCCOC2)O1 ZINC000373637926 446287619 /nfs/dbraw/zinc/28/76/19/446287619.db2.gz LKIQZDIBRJDGLC-KSSFIOAISA-N 1 2 326.400 1.976 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@]2(CCCOC2)O1 ZINC000373637926 446287622 /nfs/dbraw/zinc/28/76/22/446287622.db2.gz LKIQZDIBRJDGLC-KSSFIOAISA-N 1 2 326.400 1.976 20 30 EDEDLO C=CCNC(=O)c1ccc(NC[C@H]2CCCn3cc(C)[nH+]c32)nc1 ZINC000366685556 446309335 /nfs/dbraw/zinc/30/93/35/446309335.db2.gz HPLJFYILUIXTOI-CQSZACIVSA-N 1 2 325.416 2.492 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370537469 446323530 /nfs/dbraw/zinc/32/35/30/446323530.db2.gz ARMHTLDRZXTMLL-UHFFFAOYSA-N 1 2 346.346 1.664 20 30 EDEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](C)O2 ZINC000374024342 446348498 /nfs/dbraw/zinc/34/84/98/446348498.db2.gz RFNIRDWQANYRFJ-SOLBZPMBSA-N 1 2 348.447 1.301 20 30 EDEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](C)O2 ZINC000374024342 446348503 /nfs/dbraw/zinc/34/85/03/446348503.db2.gz RFNIRDWQANYRFJ-SOLBZPMBSA-N 1 2 348.447 1.301 20 30 EDEDLO Cc1nc(NC(=O)c2ccccc2C[NH+]2CCOCC2)ccc1C#N ZINC000411055789 446399047 /nfs/dbraw/zinc/39/90/47/446399047.db2.gz XHFUBJJTQLAROH-UHFFFAOYSA-N 1 2 336.395 2.346 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+](C)[C@H]2CCCCNC2=O)c(C#N)c1C ZINC000365881364 446385997 /nfs/dbraw/zinc/38/59/97/446385997.db2.gz LMXJONYBHBZTSS-ZDUSSCGKSA-N 1 2 334.445 1.776 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+](C)[C@H]2CCCCNC2=O)c(C#N)c1C ZINC000365881364 446386000 /nfs/dbraw/zinc/38/60/00/446386000.db2.gz LMXJONYBHBZTSS-ZDUSSCGKSA-N 1 2 334.445 1.776 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(c3ccc(C#N)c(Cl)c3)CC2)C(=O)C1 ZINC000374795239 446396207 /nfs/dbraw/zinc/39/62/07/446396207.db2.gz AWSYIPOLNRLRMM-UHFFFAOYSA-N 1 2 332.835 1.954 20 30 EDEDLO C[N@H+]1CCN(C2CCN(c3ccc(C#N)c(Cl)c3)CC2)C(=O)C1 ZINC000374795239 446396208 /nfs/dbraw/zinc/39/62/08/446396208.db2.gz AWSYIPOLNRLRMM-UHFFFAOYSA-N 1 2 332.835 1.954 20 30 EDEDLO N#Cc1cc(C(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)c[nH]1 ZINC000374896491 446443716 /nfs/dbraw/zinc/44/37/16/446443716.db2.gz OKFIPFPQYAXZCS-UHFFFAOYSA-N 1 2 341.415 1.241 20 30 EDEDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000433161867 446540815 /nfs/dbraw/zinc/54/08/15/446540815.db2.gz LASHQLISGNEZQZ-OAHLLOKOSA-N 1 2 330.388 1.826 20 30 EDEDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000433161867 446540827 /nfs/dbraw/zinc/54/08/27/446540827.db2.gz LASHQLISGNEZQZ-OAHLLOKOSA-N 1 2 330.388 1.826 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367487178 446554108 /nfs/dbraw/zinc/55/41/08/446554108.db2.gz XGOHZDRKRXOCTR-QGZVFWFLSA-N 1 2 326.400 1.694 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367487178 446554117 /nfs/dbraw/zinc/55/41/17/446554117.db2.gz XGOHZDRKRXOCTR-QGZVFWFLSA-N 1 2 326.400 1.694 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000420437379 446612791 /nfs/dbraw/zinc/61/27/91/446612791.db2.gz CIUPGDRPCHXZFP-ZDUSSCGKSA-N 1 2 329.372 1.222 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1Cl ZINC000368157982 446676750 /nfs/dbraw/zinc/67/67/50/446676750.db2.gz HYHKWQYCMIBMOZ-NSHDSACASA-N 1 2 343.774 1.547 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1Cl ZINC000368157982 446676755 /nfs/dbraw/zinc/67/67/55/446676755.db2.gz HYHKWQYCMIBMOZ-NSHDSACASA-N 1 2 343.774 1.547 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)C1(c2cccc(C#N)c2)CC1)[NH+]1CCOCC1 ZINC000435023735 446673770 /nfs/dbraw/zinc/67/37/70/446673770.db2.gz NEDADMDDDUNSLM-LSDHHAIUSA-N 1 2 327.428 1.815 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368067315 446624798 /nfs/dbraw/zinc/62/47/98/446624798.db2.gz WJIAUZQEKFMIMO-HKUYNNGSSA-N 1 2 341.455 1.783 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368067315 446624803 /nfs/dbraw/zinc/62/48/03/446624803.db2.gz WJIAUZQEKFMIMO-HKUYNNGSSA-N 1 2 341.455 1.783 20 30 EDEDLO Cc1ccnc(N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)c1C#N ZINC000368178339 446688572 /nfs/dbraw/zinc/68/85/72/446688572.db2.gz HYINWEZAPIEJNB-UHFFFAOYSA-N 1 2 339.443 1.981 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411976595 446768606 /nfs/dbraw/zinc/76/86/06/446768606.db2.gz DMXXPPJCUURNNN-SFHVURJKSA-N 1 2 343.383 1.108 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411976595 446768614 /nfs/dbraw/zinc/76/86/14/446768614.db2.gz DMXXPPJCUURNNN-SFHVURJKSA-N 1 2 343.383 1.108 20 30 EDEDLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000439317594 446812579 /nfs/dbraw/zinc/81/25/79/446812579.db2.gz MSMWXEQCVHSEHZ-ZDUSSCGKSA-N 1 2 331.420 1.269 20 30 EDEDLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000439317594 446812582 /nfs/dbraw/zinc/81/25/82/446812582.db2.gz MSMWXEQCVHSEHZ-ZDUSSCGKSA-N 1 2 331.420 1.269 20 30 EDEDLO CCc1cnc(N2CC[NH+](CC(=O)N(CC)CCC#N)CC2)s1 ZINC000441363281 446867593 /nfs/dbraw/zinc/86/75/93/446867593.db2.gz YVYYVLPVZWVDOZ-UHFFFAOYSA-N 1 2 335.477 1.590 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000412133039 446875237 /nfs/dbraw/zinc/87/52/37/446875237.db2.gz QUQMEFDGGSTWSB-HKUYNNGSSA-N 1 2 345.418 1.946 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000371509030 446903579 /nfs/dbraw/zinc/90/35/79/446903579.db2.gz NFNBTGXQCJZSKX-IBGZPJMESA-N 1 2 327.428 1.476 20 30 EDEDLO CC#CC[NH+]1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000371639704 446941199 /nfs/dbraw/zinc/94/11/99/446941199.db2.gz YWPBMUNUEHUSLA-LJQANCHMSA-N 1 2 325.456 1.819 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000420985021 446961768 /nfs/dbraw/zinc/96/17/68/446961768.db2.gz KGUJSDQXHFYXTE-OAHLLOKOSA-N 1 2 348.834 1.797 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000420985021 446961775 /nfs/dbraw/zinc/96/17/75/446961775.db2.gz KGUJSDQXHFYXTE-OAHLLOKOSA-N 1 2 348.834 1.797 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000368653221 447008152 /nfs/dbraw/zinc/00/81/52/447008152.db2.gz PKZAWIJINIDJKJ-LBPRGKRZSA-N 1 2 340.349 1.360 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000372537393 447120618 /nfs/dbraw/zinc/12/06/18/447120618.db2.gz APNRIICMNMZSDF-UHFFFAOYSA-N 1 2 344.440 1.753 20 30 EDEDLO Cc1cc(NC(=O)NCCn2cc[nH+]c2)nn1-c1cccc(C#N)c1 ZINC000372481010 447078131 /nfs/dbraw/zinc/07/81/31/447078131.db2.gz JNVJFMATNVZQNJ-UHFFFAOYSA-N 1 2 335.371 2.071 20 30 EDEDLO CCOC(=O)c1n[nH]c(C2CCN(c3cc(C)[nH+]cc3C#N)CC2)n1 ZINC000425254700 447082844 /nfs/dbraw/zinc/08/28/44/447082844.db2.gz FIYUWPCMOPFXLP-UHFFFAOYSA-N 1 2 340.387 1.941 20 30 EDEDLO Cc1ccnc(N2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1C#N ZINC000375830375 447087497 /nfs/dbraw/zinc/08/74/97/447087497.db2.gz NWSZSAZMNZCCGO-JKSUJKDBSA-N 1 2 329.448 1.103 20 30 EDEDLO Cc1ccnc(N2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1C#N ZINC000375830375 447087504 /nfs/dbraw/zinc/08/75/04/447087504.db2.gz NWSZSAZMNZCCGO-JKSUJKDBSA-N 1 2 329.448 1.103 20 30 EDEDLO C=CCn1cc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)nn1 ZINC000425264718 447087605 /nfs/dbraw/zinc/08/76/05/447087605.db2.gz QOOSENQRRYCJNU-CHWSQXEVSA-N 1 2 329.408 1.073 20 30 EDEDLO C=CCn1cc(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)nn1 ZINC000425264718 447087609 /nfs/dbraw/zinc/08/76/09/447087609.db2.gz QOOSENQRRYCJNU-CHWSQXEVSA-N 1 2 329.408 1.073 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CCO2 ZINC000375922192 447152112 /nfs/dbraw/zinc/15/21/12/447152112.db2.gz VGJULOMYHHTINR-YJBOKZPZSA-N 1 2 335.448 1.551 20 30 EDEDLO C[C@@H]1OCC[C@]12C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CCO2 ZINC000375922192 447152118 /nfs/dbraw/zinc/15/21/18/447152118.db2.gz VGJULOMYHHTINR-YJBOKZPZSA-N 1 2 335.448 1.551 20 30 EDEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000377528886 447184178 /nfs/dbraw/zinc/18/41/78/447184178.db2.gz WNWYEWVAJLGKID-UHFFFAOYSA-N 1 2 346.416 1.652 20 30 EDEDLO COC(=O)c1cnc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)s1 ZINC000425480142 447184301 /nfs/dbraw/zinc/18/43/01/447184301.db2.gz DYCOAXCPYJEYRR-BJOHPYRUSA-N 1 2 336.417 1.389 20 30 EDEDLO CN1CC[NH+](C[C@@H]2CN(c3ncc(C#N)cc3Cl)CCO2)CC1 ZINC000372653220 447207320 /nfs/dbraw/zinc/20/73/20/447207320.db2.gz CRXBNZMNFPVHKK-CQSZACIVSA-N 1 2 335.839 1.059 20 30 EDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000372661654 447211313 /nfs/dbraw/zinc/21/13/13/447211313.db2.gz YDYLJGSLUJLIEB-LSDHHAIUSA-N 1 2 331.372 1.149 20 30 EDEDLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000372661654 447211318 /nfs/dbraw/zinc/21/13/18/447211318.db2.gz YDYLJGSLUJLIEB-LSDHHAIUSA-N 1 2 331.372 1.149 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000413832543 447258779 /nfs/dbraw/zinc/25/87/79/447258779.db2.gz IXISOGOVUHCVPH-OKZBNKHCSA-N 1 2 329.444 1.898 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000413832543 447258786 /nfs/dbraw/zinc/25/87/86/447258786.db2.gz IXISOGOVUHCVPH-OKZBNKHCSA-N 1 2 329.444 1.898 20 30 EDEDLO Cc1ccc(-n2nnnc2SC[C@H](O)C[N@H+](C)CCC#N)cc1C ZINC000414092249 447274234 /nfs/dbraw/zinc/27/42/34/447274234.db2.gz FMGQIHKSAKMKLG-OAHLLOKOSA-N 1 2 346.460 1.578 20 30 EDEDLO Cc1ccc(-n2nnnc2SC[C@H](O)C[N@@H+](C)CCC#N)cc1C ZINC000414092249 447274240 /nfs/dbraw/zinc/27/42/40/447274240.db2.gz FMGQIHKSAKMKLG-OAHLLOKOSA-N 1 2 346.460 1.578 20 30 EDEDLO C=C(Br)C[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000369041879 447283353 /nfs/dbraw/zinc/28/33/53/447283353.db2.gz OIGXXNHCGYXKPH-UHFFFAOYSA-N 1 2 339.237 1.601 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000369041879 447283362 /nfs/dbraw/zinc/28/33/62/447283362.db2.gz OIGXXNHCGYXKPH-UHFFFAOYSA-N 1 2 339.237 1.601 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(Cc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000419917537 447489544 /nfs/dbraw/zinc/48/95/44/447489544.db2.gz BIIIIPVSUFLICI-KRWDZBQOSA-N 1 2 343.427 1.905 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1F ZINC000459125329 447585378 /nfs/dbraw/zinc/58/53/78/447585378.db2.gz QUCWGIJICISYKM-MRXNPFEDSA-N 1 2 346.406 1.704 20 30 EDEDLO N#Cc1cccc(NC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000394438576 447537574 /nfs/dbraw/zinc/53/75/74/447537574.db2.gz POFHFMRQRLHUQF-QGZVFWFLSA-N 1 2 328.416 1.293 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000394438576 447537581 /nfs/dbraw/zinc/53/75/81/447537581.db2.gz POFHFMRQRLHUQF-QGZVFWFLSA-N 1 2 328.416 1.293 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000394438576 447537586 /nfs/dbraw/zinc/53/75/86/447537586.db2.gz POFHFMRQRLHUQF-QGZVFWFLSA-N 1 2 328.416 1.293 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)CCCCC1 ZINC000408041620 447622121 /nfs/dbraw/zinc/62/21/21/447622121.db2.gz DFOPGIGIOOECFC-BBWFWOEESA-N 1 2 349.475 1.581 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)CCCCC1 ZINC000408041620 447622127 /nfs/dbraw/zinc/62/21/27/447622127.db2.gz DFOPGIGIOOECFC-BBWFWOEESA-N 1 2 349.475 1.581 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000496065988 447703986 /nfs/dbraw/zinc/70/39/86/447703986.db2.gz MPDXEEASOWRFIU-TZMCWYRMSA-N 1 2 347.419 1.560 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000496065988 447703992 /nfs/dbraw/zinc/70/39/92/447703992.db2.gz MPDXEEASOWRFIU-TZMCWYRMSA-N 1 2 347.419 1.560 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC(C)(C)OC[C@@H]2C)CC1 ZINC000408360820 447653585 /nfs/dbraw/zinc/65/35/85/447653585.db2.gz ZLCILEXBEXOUAL-JKSUJKDBSA-N 1 2 336.480 1.178 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC(C)(C)OC[C@@H]2C)CC1 ZINC000408360820 447653591 /nfs/dbraw/zinc/65/35/91/447653591.db2.gz ZLCILEXBEXOUAL-JKSUJKDBSA-N 1 2 336.480 1.178 20 30 EDEDLO N#CCC1(CS(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000451212217 447707182 /nfs/dbraw/zinc/70/71/82/447707182.db2.gz WONMBHGPUXPOKS-UHFFFAOYSA-N 1 2 330.413 1.986 20 30 EDEDLO Cc1ccc(NC(=O)CN(C)C(=O)C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000459463973 447674742 /nfs/dbraw/zinc/67/47/42/447674742.db2.gz LLPZLJSDRGANPE-HOCLYGCPSA-N 1 2 328.416 1.674 20 30 EDEDLO C[C@H]1C[C@]1(C#N)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000451400578 447728814 /nfs/dbraw/zinc/72/88/14/447728814.db2.gz BAUOOGLJZNSRPM-LKCYJCQHSA-N 1 2 325.412 1.648 20 30 EDEDLO C[C@H]1C[C@]1(C#N)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000451400578 447728819 /nfs/dbraw/zinc/72/88/19/447728819.db2.gz BAUOOGLJZNSRPM-LKCYJCQHSA-N 1 2 325.412 1.648 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000451446339 447733191 /nfs/dbraw/zinc/73/31/91/447733191.db2.gz PLBWCBZPUYEKFC-QWQRMKEZSA-N 1 2 338.448 1.500 20 30 EDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)S(=O)(=O)CC(C)(C)CC#N ZINC000451484634 447733793 /nfs/dbraw/zinc/73/37/93/447733793.db2.gz XKOGDYXIIGYDDY-UHFFFAOYSA-N 1 2 331.482 1.299 20 30 EDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)S(=O)(=O)CC(C)(C)CC#N ZINC000451484634 447733798 /nfs/dbraw/zinc/73/37/98/447733798.db2.gz XKOGDYXIIGYDDY-UHFFFAOYSA-N 1 2 331.482 1.299 20 30 EDEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1O ZINC000451763954 447750121 /nfs/dbraw/zinc/75/01/21/447750121.db2.gz UFZLIDBPJMFRSX-ZWKOPEQDSA-N 1 2 335.429 1.127 20 30 EDEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1O ZINC000451763954 447750126 /nfs/dbraw/zinc/75/01/26/447750126.db2.gz UFZLIDBPJMFRSX-ZWKOPEQDSA-N 1 2 335.429 1.127 20 30 EDEDLO CC(C)OCCOC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000451954637 447795340 /nfs/dbraw/zinc/79/53/40/447795340.db2.gz YAXGWBRZMYNYNY-SFHVURJKSA-N 1 2 345.443 1.991 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000530337568 447863685 /nfs/dbraw/zinc/86/36/85/447863685.db2.gz NTMBTRPKASSIHZ-OAHLLOKOSA-N 1 2 327.432 1.150 20 30 EDEDLO CO[C@H]1C[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1OC ZINC000487985931 447839882 /nfs/dbraw/zinc/83/98/82/447839882.db2.gz ICCUROPMDPCHEC-ROUUACIJSA-N 1 2 345.443 1.896 20 30 EDEDLO CC(C)(C)OC(=O)N1CC(F)(F)CC1=CNNc1cncc[nH+]1 ZINC000496703603 447852155 /nfs/dbraw/zinc/85/21/55/447852155.db2.gz UGDYOQWDIDNTIP-SNVBAGLBSA-N 1 2 327.335 2.519 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C#N)s3)CC2)c1C#N ZINC000530352502 447867601 /nfs/dbraw/zinc/86/76/01/447867601.db2.gz WLCVBACAKLYYAW-UHFFFAOYSA-N 1 2 326.429 1.856 20 30 EDEDLO C#CCCCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496759669 447888442 /nfs/dbraw/zinc/88/84/42/447888442.db2.gz QLIOBUGNDIXDLP-OAHLLOKOSA-N 1 2 337.464 1.847 20 30 EDEDLO C#CCCCCC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496759669 447888443 /nfs/dbraw/zinc/88/84/43/447888443.db2.gz QLIOBUGNDIXDLP-OAHLLOKOSA-N 1 2 337.464 1.847 20 30 EDEDLO C#CC[N@@H+](C[C@H](O)c1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000491117945 447928137 /nfs/dbraw/zinc/92/81/37/447928137.db2.gz ASHDIHUARSIKFZ-LPHOPBHVSA-N 1 2 343.448 1.996 20 30 EDEDLO C#CC[N@H+](C[C@H](O)c1cccc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000491117945 447928141 /nfs/dbraw/zinc/92/81/41/447928141.db2.gz ASHDIHUARSIKFZ-LPHOPBHVSA-N 1 2 343.448 1.996 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000570336246 447989465 /nfs/dbraw/zinc/98/94/65/447989465.db2.gz OKPRWLGBFCBDDG-CYBMUJFWSA-N 1 2 330.310 1.596 20 30 EDEDLO Cc1cc(NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C#N)c[nH+]1 ZINC000496878194 447995847 /nfs/dbraw/zinc/99/58/47/447995847.db2.gz YCUMTHCMZGOWHV-CQSZACIVSA-N 1 2 332.404 1.731 20 30 EDEDLO Cc1cccn2cc(CC(=O)NCC3CCN(CC#N)CC3)[nH+]c12 ZINC000525169174 447971363 /nfs/dbraw/zinc/97/13/63/447971363.db2.gz DCDIORYODNWBGC-UHFFFAOYSA-N 1 2 325.416 1.537 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccccc1 ZINC000525746225 448019886 /nfs/dbraw/zinc/01/98/86/448019886.db2.gz JWZLCMMRVRKNDW-MRXNPFEDSA-N 1 2 349.398 2.441 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000491524413 448053311 /nfs/dbraw/zinc/05/33/11/448053311.db2.gz LIINEWLLYZBWMC-AWEZNQCLSA-N 1 2 330.388 1.093 20 30 EDEDLO C[C@@H]([NH2+][C@H](C)c1cn(-c2ccccc2)nn1)C(=O)NC1(C#N)CCC1 ZINC000526053501 448087178 /nfs/dbraw/zinc/08/71/78/448087178.db2.gz JVMSQMZVFOJZJD-ZIAGYGMSSA-N 1 2 338.415 1.869 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(Cc2cscn2)CC1 ZINC000526055398 448089025 /nfs/dbraw/zinc/08/90/25/448089025.db2.gz NDJCSQJHMRLGRI-CYBMUJFWSA-N 1 2 333.461 1.212 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cc3nc(C)cs3)n2C(C)C)CC1 ZINC000491734071 448091636 /nfs/dbraw/zinc/09/16/36/448091636.db2.gz NJVNKLREDZASEB-UHFFFAOYSA-N 1 2 344.488 1.970 20 30 EDEDLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000570992066 448092486 /nfs/dbraw/zinc/09/24/86/448092486.db2.gz KPTHDNGVGFTTPN-UHFFFAOYSA-N 1 2 342.424 1.458 20 30 EDEDLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000570992066 448092493 /nfs/dbraw/zinc/09/24/93/448092493.db2.gz KPTHDNGVGFTTPN-UHFFFAOYSA-N 1 2 342.424 1.458 20 30 EDEDLO C#CC[NH+]1CCN(CN2Cc3cc(C(F)(F)F)ccc3C2=O)CC1 ZINC000491749302 448102888 /nfs/dbraw/zinc/10/28/88/448102888.db2.gz QAVNOPOAOUUIKZ-UHFFFAOYSA-N 1 2 337.345 1.870 20 30 EDEDLO C=CCN(C)C(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000527095630 448157459 /nfs/dbraw/zinc/15/74/59/448157459.db2.gz GBFIOHMREQZWSP-AWEZNQCLSA-N 1 2 331.416 1.663 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC000491803454 448132585 /nfs/dbraw/zinc/13/25/85/448132585.db2.gz JJVDECMYSKAXDK-UHFFFAOYSA-N 1 2 339.298 1.029 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000507464682 448142791 /nfs/dbraw/zinc/14/27/91/448142791.db2.gz BWENQPWEVHXTOE-HZPDHXFCSA-N 1 2 331.464 1.495 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)CC1 ZINC000571638646 448185089 /nfs/dbraw/zinc/18/50/89/448185089.db2.gz LCBLXEXSYLYPAH-IAGOWNOFSA-N 1 2 348.491 1.322 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)OC3(CCC3)C2)CC1 ZINC000571638646 448185094 /nfs/dbraw/zinc/18/50/94/448185094.db2.gz LCBLXEXSYLYPAH-IAGOWNOFSA-N 1 2 348.491 1.322 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000527297264 448204500 /nfs/dbraw/zinc/20/45/00/448204500.db2.gz VDWSPXQLBITXSU-HZPDHXFCSA-N 1 2 341.459 1.711 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCO[C@]2(CCSC2)C1)C1(C#N)CCCCC1 ZINC000577510467 448318040 /nfs/dbraw/zinc/31/80/40/448318040.db2.gz XWCVHIBWYQBCGS-QGZVFWFLSA-N 1 2 337.489 1.879 20 30 EDEDLO CN(C(=O)C[N@H+]1CCO[C@]2(CCSC2)C1)C1(C#N)CCCCC1 ZINC000577510467 448318044 /nfs/dbraw/zinc/31/80/44/448318044.db2.gz XWCVHIBWYQBCGS-QGZVFWFLSA-N 1 2 337.489 1.879 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000577740145 448374159 /nfs/dbraw/zinc/37/41/59/448374159.db2.gz KIUBYYFTVIRKJZ-HOTGVXAUSA-N 1 2 346.431 1.309 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000534298422 448442845 /nfs/dbraw/zinc/44/28/45/448442845.db2.gz IAPZFCSBAGISNQ-WBVHZDCISA-N 1 2 340.427 1.628 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000534298422 448442846 /nfs/dbraw/zinc/44/28/46/448442846.db2.gz IAPZFCSBAGISNQ-WBVHZDCISA-N 1 2 340.427 1.628 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000578083374 448458901 /nfs/dbraw/zinc/45/89/01/448458901.db2.gz WJCPTBMYBCZOME-UHFFFAOYSA-N 1 2 325.453 1.076 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000578083374 448458902 /nfs/dbraw/zinc/45/89/02/448458902.db2.gz WJCPTBMYBCZOME-UHFFFAOYSA-N 1 2 325.453 1.076 20 30 EDEDLO N#Cc1cccc(NC(=O)CC[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000572916747 448495543 /nfs/dbraw/zinc/49/55/43/448495543.db2.gz OTHYDRFEYFZVDN-UHFFFAOYSA-N 1 2 340.387 1.590 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000528504774 448558756 /nfs/dbraw/zinc/55/87/56/448558756.db2.gz QNYCKGXUMNTBFL-KGLIPLIRSA-N 1 2 343.387 1.001 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000528504774 448558762 /nfs/dbraw/zinc/55/87/62/448558762.db2.gz QNYCKGXUMNTBFL-KGLIPLIRSA-N 1 2 343.387 1.001 20 30 EDEDLO COCC[C@@H]1COCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528504240 448559396 /nfs/dbraw/zinc/55/93/96/448559396.db2.gz CWKKXQKPWWRYST-OAHLLOKOSA-N 1 2 342.395 1.023 20 30 EDEDLO COCC[C@@H]1COCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528504240 448559401 /nfs/dbraw/zinc/55/94/01/448559401.db2.gz CWKKXQKPWWRYST-OAHLLOKOSA-N 1 2 342.395 1.023 20 30 EDEDLO N#CCc1ccc(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000592044401 448645734 /nfs/dbraw/zinc/64/57/34/448645734.db2.gz KJCGWLBQXLFSDP-CALCHBBNSA-N 1 2 328.416 1.415 20 30 EDEDLO N#CCc1ccc(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000592044401 448645737 /nfs/dbraw/zinc/64/57/37/448645737.db2.gz KJCGWLBQXLFSDP-CALCHBBNSA-N 1 2 328.416 1.415 20 30 EDEDLO CC(=O)NCC(=O)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000528734402 448652647 /nfs/dbraw/zinc/65/26/47/448652647.db2.gz LQIHRPGBDMCLAN-UHFFFAOYSA-N 1 2 347.846 1.362 20 30 EDEDLO CC(=O)NCC(=O)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000528734402 448652650 /nfs/dbraw/zinc/65/26/50/448652650.db2.gz LQIHRPGBDMCLAN-UHFFFAOYSA-N 1 2 347.846 1.362 20 30 EDEDLO COc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc(NC(C)=O)c1OC ZINC000567276658 448656364 /nfs/dbraw/zinc/65/63/64/448656364.db2.gz QLSXJVZUPQILAL-QGZVFWFLSA-N 1 2 348.403 1.236 20 30 EDEDLO CCN(C(=O)[C@H](C)[NH+]1CCC(CC#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000541025157 448664911 /nfs/dbraw/zinc/66/49/11/448664911.db2.gz UGHXSRXPOKEPFA-ZFWWWQNUSA-N 1 2 341.477 1.036 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592146369 448705333 /nfs/dbraw/zinc/70/53/33/448705333.db2.gz CLGYLHOVXRLSIO-PXAZEXFGSA-N 1 2 333.388 1.381 20 30 EDEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592146369 448705337 /nfs/dbraw/zinc/70/53/37/448705337.db2.gz CLGYLHOVXRLSIO-PXAZEXFGSA-N 1 2 333.388 1.381 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1C ZINC000592149557 448710669 /nfs/dbraw/zinc/71/06/69/448710669.db2.gz RDAWKAUTTDPJQK-QGZVFWFLSA-N 1 2 330.388 1.302 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1C ZINC000592149557 448710671 /nfs/dbraw/zinc/71/06/71/448710671.db2.gz RDAWKAUTTDPJQK-QGZVFWFLSA-N 1 2 330.388 1.302 20 30 EDEDLO C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592150939 448711898 /nfs/dbraw/zinc/71/18/98/448711898.db2.gz KALNEOZYUOVOSM-QFBILLFUSA-N 1 2 345.443 1.621 20 30 EDEDLO C[C@H](OCCCNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592150939 448711902 /nfs/dbraw/zinc/71/19/02/448711902.db2.gz KALNEOZYUOVOSM-QFBILLFUSA-N 1 2 345.443 1.621 20 30 EDEDLO Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CC[C@@](O)(CC#N)C2)C1=O ZINC000592152201 448713473 /nfs/dbraw/zinc/71/34/73/448713473.db2.gz VQIAEEFZFAKXEB-WMZOPIPTSA-N 1 2 331.391 1.980 20 30 EDEDLO Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CC[C@@](O)(CC#N)C2)C1=O ZINC000592152201 448713475 /nfs/dbraw/zinc/71/34/75/448713475.db2.gz VQIAEEFZFAKXEB-WMZOPIPTSA-N 1 2 331.391 1.980 20 30 EDEDLO CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592151410 448713923 /nfs/dbraw/zinc/71/39/23/448713923.db2.gz OMWDVGVERIRCOY-LJQANCHMSA-N 1 2 345.443 1.655 20 30 EDEDLO CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592151410 448713929 /nfs/dbraw/zinc/71/39/29/448713929.db2.gz OMWDVGVERIRCOY-LJQANCHMSA-N 1 2 345.443 1.655 20 30 EDEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4ncccc4F)CC3)cnc12 ZINC000567589486 448717936 /nfs/dbraw/zinc/71/79/36/448717936.db2.gz ZXQNQJDPSWTVCJ-UHFFFAOYSA-N 1 2 337.362 1.457 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000518888642 448718533 /nfs/dbraw/zinc/71/85/33/448718533.db2.gz FPNXBUNXDUYVDG-GOEBONIOSA-N 1 2 333.436 1.218 20 30 EDEDLO CN1CCN(c2cc(N3CCC(CCC#N)CC3)[nH+]cn2)CC1=O ZINC000567767846 448756308 /nfs/dbraw/zinc/75/63/08/448756308.db2.gz YPEGPTAJXWYTED-UHFFFAOYSA-N 1 2 328.420 1.275 20 30 EDEDLO CN1CCN(c2cc(N3CCC(CCC#N)CC3)nc[nH+]2)CC1=O ZINC000567767846 448756310 /nfs/dbraw/zinc/75/63/10/448756310.db2.gz YPEGPTAJXWYTED-UHFFFAOYSA-N 1 2 328.420 1.275 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000579370936 448780214 /nfs/dbraw/zinc/78/02/14/448780214.db2.gz TZVXZWHXWXSKAI-SFHVURJKSA-N 1 2 344.459 1.417 20 30 EDEDLO Cc1nn(C(C)C)cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000568412246 448870242 /nfs/dbraw/zinc/87/02/42/448870242.db2.gz PEMDWTPTQOGBCU-UHFFFAOYSA-N 1 2 333.436 1.461 20 30 EDEDLO CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC000568527156 448885976 /nfs/dbraw/zinc/88/59/76/448885976.db2.gz LUJYIYNECMIVOG-UHFFFAOYSA-N 1 2 329.448 1.329 20 30 EDEDLO CCN(CC)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000568527156 448885978 /nfs/dbraw/zinc/88/59/78/448885978.db2.gz LUJYIYNECMIVOG-UHFFFAOYSA-N 1 2 329.448 1.329 20 30 EDEDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000579974939 448927493 /nfs/dbraw/zinc/92/74/93/448927493.db2.gz BWECJDBNRXMBGC-MRXNPFEDSA-N 1 2 342.443 1.481 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N(Cc2ccc(N3CCOCC3)[nH+]c2)C1=O ZINC000580706162 448955609 /nfs/dbraw/zinc/95/56/09/448955609.db2.gz KBPACISQAWAMFF-AWEZNQCLSA-N 1 2 330.388 1.305 20 30 EDEDLO N#C[C@@]1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC12CCCC2 ZINC000569069194 448956115 /nfs/dbraw/zinc/95/61/15/448956115.db2.gz LZDUXZIXWYBRFM-ZWKOTPCHSA-N 1 2 349.500 1.785 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1nccc(OC)n1 ZINC000582117367 449015357 /nfs/dbraw/zinc/01/53/57/449015357.db2.gz ODVGERZNNCJFDI-HNNXBMFYSA-N 1 2 329.400 1.743 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CCN(c3cc(-n4cc[nH+]c4)ncn3)C2)nc1 ZINC000589871328 449070368 /nfs/dbraw/zinc/07/03/68/449070368.db2.gz OZLXVBUKCUYUBP-CQSZACIVSA-N 1 2 333.355 1.587 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000582219821 449038898 /nfs/dbraw/zinc/03/88/98/449038898.db2.gz SGCHYJHDOXRUEO-JYJNAYRXSA-N 1 2 325.453 1.330 20 30 EDEDLO Cc1ccc(CN2C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC2=O)cc1 ZINC000589827849 449065349 /nfs/dbraw/zinc/06/53/49/449065349.db2.gz RWAOIOCXQCMHFK-APWZRJJASA-N 1 2 342.443 1.304 20 30 EDEDLO CO[C@]1(CO)CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000595662055 449103981 /nfs/dbraw/zinc/10/39/81/449103981.db2.gz ZEPMFTIZQICRLF-CZUORRHYSA-N 1 2 335.429 1.198 20 30 EDEDLO CO[C@]1(CO)CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000595662055 449103983 /nfs/dbraw/zinc/10/39/83/449103983.db2.gz ZEPMFTIZQICRLF-CZUORRHYSA-N 1 2 335.429 1.198 20 30 EDEDLO N#CC1(CC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000590186529 449114850 /nfs/dbraw/zinc/11/48/50/449114850.db2.gz BOPLDSVXGROKMO-UHFFFAOYSA-N 1 2 343.427 1.708 20 30 EDEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000595678929 449115532 /nfs/dbraw/zinc/11/55/32/449115532.db2.gz UJJLRHIMPSUJMK-KRWDZBQOSA-N 1 2 347.415 1.603 20 30 EDEDLO COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000595678929 449115535 /nfs/dbraw/zinc/11/55/35/449115535.db2.gz UJJLRHIMPSUJMK-KRWDZBQOSA-N 1 2 347.415 1.603 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCC[C@H]1C#N ZINC000601806879 449162871 /nfs/dbraw/zinc/16/28/71/449162871.db2.gz JGJPNOFQENNPEV-HOTGVXAUSA-N 1 2 327.432 1.354 20 30 EDEDLO N#Cc1cc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)ccc1F ZINC000590542018 449182372 /nfs/dbraw/zinc/18/23/72/449182372.db2.gz WEYNCKDTTBHJPW-UHFFFAOYSA-N 1 2 343.362 1.996 20 30 EDEDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611245365 449236395 /nfs/dbraw/zinc/23/63/95/449236395.db2.gz KKYDOVHEAVXXCD-WBVHZDCISA-N 1 2 341.415 1.458 20 30 EDEDLO Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611245365 449236401 /nfs/dbraw/zinc/23/64/01/449236401.db2.gz KKYDOVHEAVXXCD-WBVHZDCISA-N 1 2 341.415 1.458 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000600231761 449255796 /nfs/dbraw/zinc/25/57/96/449255796.db2.gz GGZPXERQYQLVSK-RBUKOAKNSA-N 1 2 347.459 1.192 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000600231761 449255798 /nfs/dbraw/zinc/25/57/98/449255798.db2.gz GGZPXERQYQLVSK-RBUKOAKNSA-N 1 2 347.459 1.192 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(c2nc3ncccc3cc2C#N)CC1 ZINC000596058938 449340866 /nfs/dbraw/zinc/34/08/66/449340866.db2.gz QGSDAGANCRYKLH-UHFFFAOYSA-N 1 2 338.415 1.148 20 30 EDEDLO N#CCN1CCC(CNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000602109011 449351880 /nfs/dbraw/zinc/35/18/80/449351880.db2.gz MGMSTJZGVCAVJJ-UHFFFAOYSA-N 1 2 339.399 1.543 20 30 EDEDLO N#CC[C@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000596112930 449368317 /nfs/dbraw/zinc/36/83/17/449368317.db2.gz XGRAUMGTQPJMAR-OAHLLOKOSA-N 1 2 343.431 1.753 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)cc1C#N ZINC000602169732 449401053 /nfs/dbraw/zinc/40/10/53/449401053.db2.gz GZJHZPGMBMRHIE-RYUDHWBXSA-N 1 2 334.445 1.839 20 30 EDEDLO COC(=O)Cc1cc[nH+]c(N2CCN(c3cnccc3C#N)CC2)c1 ZINC000596240942 449434606 /nfs/dbraw/zinc/43/46/06/449434606.db2.gz IHFIBYKDDSBPQM-UHFFFAOYSA-N 1 2 337.383 1.390 20 30 EDEDLO N#Cc1nc(NCC2([NH+]3CCOCC3)CCOCC2)sc1Cl ZINC000596266140 449446950 /nfs/dbraw/zinc/44/69/50/449446950.db2.gz YHWPUIOXQGMBDX-UHFFFAOYSA-N 1 2 342.852 1.961 20 30 EDEDLO COCC1(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)CCC1 ZINC000596286340 449457006 /nfs/dbraw/zinc/45/70/06/449457006.db2.gz PJUZQDRBJGPKEN-UHFFFAOYSA-N 1 2 331.416 1.369 20 30 EDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000594370540 449474703 /nfs/dbraw/zinc/47/47/03/449474703.db2.gz YHPSOLGFRHHZPG-JCGIZDLHSA-N 1 2 327.428 1.716 20 30 EDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000594370540 449474710 /nfs/dbraw/zinc/47/47/10/449474710.db2.gz YHPSOLGFRHHZPG-JCGIZDLHSA-N 1 2 327.428 1.716 20 30 EDEDLO C[C@H](CNS(=O)(=O)CC1(CC#N)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471309 449537185 /nfs/dbraw/zinc/53/71/85/449537185.db2.gz BVBHWIKHOROKNC-MCIONIFRSA-N 1 2 329.466 1.097 20 30 EDEDLO C[C@H](CNS(=O)(=O)CC1(CC#N)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594471309 449537191 /nfs/dbraw/zinc/53/71/91/449537191.db2.gz BVBHWIKHOROKNC-MCIONIFRSA-N 1 2 329.466 1.097 20 30 EDEDLO C[C@@H](C(=O)N1CCc2c(CC#N)cccc2C1)[NH+]1CCN(C)CC1 ZINC000600782455 449546205 /nfs/dbraw/zinc/54/62/05/449546205.db2.gz LLPLUCYGYHDVAQ-HNNXBMFYSA-N 1 2 326.444 1.273 20 30 EDEDLO Cc1cc(N2CCN(c3ccc(F)cc3C(N)=O)CC2)c(C#N)c[nH+]1 ZINC000598645074 449515000 /nfs/dbraw/zinc/51/50/00/449515000.db2.gz YPBCDAJACRECMZ-UHFFFAOYSA-N 1 2 339.374 1.826 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596599436 449568340 /nfs/dbraw/zinc/56/83/40/449568340.db2.gz UOXFDZROUIQBQY-SFHVURJKSA-N 1 2 331.464 1.859 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596599436 449568348 /nfs/dbraw/zinc/56/83/48/449568348.db2.gz UOXFDZROUIQBQY-SFHVURJKSA-N 1 2 331.464 1.859 20 30 EDEDLO C=CCCOCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000617450373 449617745 /nfs/dbraw/zinc/61/77/45/449617745.db2.gz OARYAFGVMOGLPL-MSOLQXFVSA-N 1 2 330.428 1.691 20 30 EDEDLO C=CCCOCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000617450373 449617748 /nfs/dbraw/zinc/61/77/48/449617748.db2.gz OARYAFGVMOGLPL-MSOLQXFVSA-N 1 2 330.428 1.691 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1[C@H](c1nccn1C)C1CC1 ZINC000602482326 449625423 /nfs/dbraw/zinc/62/54/23/449625423.db2.gz DZKVXPJBORNAID-CJNGLKHVSA-N 1 2 337.431 1.744 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1[C@H](c1nccn1C)C1CC1 ZINC000602482326 449625425 /nfs/dbraw/zinc/62/54/25/449625425.db2.gz DZKVXPJBORNAID-CJNGLKHVSA-N 1 2 337.431 1.744 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(F)c1N ZINC000602484644 449627208 /nfs/dbraw/zinc/62/72/08/449627208.db2.gz LELLVWLEXXZPAQ-LBPRGKRZSA-N 1 2 326.379 1.780 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(F)c1N ZINC000602484644 449627214 /nfs/dbraw/zinc/62/72/14/449627214.db2.gz LELLVWLEXXZPAQ-LBPRGKRZSA-N 1 2 326.379 1.780 20 30 EDEDLO N#Cc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)nc(C2CC2)n1 ZINC000601101779 449690383 /nfs/dbraw/zinc/69/03/83/449690383.db2.gz SZKMMIRKHBXETL-UHFFFAOYSA-N 1 2 336.399 2.069 20 30 EDEDLO C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](CC3(CC#N)CC3)CC2)C1 ZINC000602793623 449813685 /nfs/dbraw/zinc/81/36/85/449813685.db2.gz ZBJLFCSJTCCNDT-SJORKVTESA-N 1 2 332.492 1.993 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000601321446 449830168 /nfs/dbraw/zinc/83/01/68/449830168.db2.gz NIWZQRVJOVHATI-QGZVFWFLSA-N 1 2 349.456 1.183 20 30 EDEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000601321446 449830171 /nfs/dbraw/zinc/83/01/71/449830171.db2.gz NIWZQRVJOVHATI-QGZVFWFLSA-N 1 2 349.456 1.183 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602856962 449866644 /nfs/dbraw/zinc/86/66/44/449866644.db2.gz NGVQUEYQJNNQDD-HZPDHXFCSA-N 1 2 344.459 1.572 20 30 EDEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599292873 449867376 /nfs/dbraw/zinc/86/73/76/449867376.db2.gz JDCKEIJQTMDVSK-HIFRSBDPSA-N 1 2 340.445 1.053 20 30 EDEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599292873 449867381 /nfs/dbraw/zinc/86/73/81/449867381.db2.gz JDCKEIJQTMDVSK-HIFRSBDPSA-N 1 2 340.445 1.053 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000602862481 449872088 /nfs/dbraw/zinc/87/20/88/449872088.db2.gz JFEMSJZVEOBSSW-UHFFFAOYSA-N 1 2 346.479 1.945 20 30 EDEDLO CCOC(=O)[C@H]1CSCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599271131 449848627 /nfs/dbraw/zinc/84/86/27/449848627.db2.gz UVCYDSVFBHPVIZ-UONOGXRCSA-N 1 2 342.461 1.038 20 30 EDEDLO CCOC(=O)[C@H]1CSCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599271131 449848634 /nfs/dbraw/zinc/84/86/34/449848634.db2.gz UVCYDSVFBHPVIZ-UONOGXRCSA-N 1 2 342.461 1.038 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608908898 449948985 /nfs/dbraw/zinc/94/89/85/449948985.db2.gz AANMFRAAHGRYFN-UHFFFAOYSA-N 1 2 325.353 1.940 20 30 EDEDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1C#N ZINC000599341228 449907216 /nfs/dbraw/zinc/90/72/16/449907216.db2.gz SZVWIMSCQXEZLI-UHFFFAOYSA-N 1 2 336.395 1.925 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CCOCC1 ZINC000599352599 449914296 /nfs/dbraw/zinc/91/42/96/449914296.db2.gz DKLQXBWHZMKXOU-OAHLLOKOSA-N 1 2 346.387 1.419 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CCOCC1 ZINC000599352599 449914303 /nfs/dbraw/zinc/91/43/03/449914303.db2.gz DKLQXBWHZMKXOU-OAHLLOKOSA-N 1 2 346.387 1.419 20 30 EDEDLO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C[C@H]1n1cc[nH+]c1 ZINC000595173443 449922823 /nfs/dbraw/zinc/92/28/23/449922823.db2.gz SKMCPNURZNYJTP-CKEIUWERSA-N 1 2 329.404 1.055 20 30 EDEDLO CC(C)(CC#N)CS(=O)(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000601453821 449977162 /nfs/dbraw/zinc/97/71/62/449977162.db2.gz WTLNRRAOAFDCIO-ZIAGYGMSSA-N 1 2 343.493 1.345 20 30 EDEDLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)nc1 ZINC000599449181 449984924 /nfs/dbraw/zinc/98/49/24/449984924.db2.gz LQXWRYXTBPZSBQ-GFCCVEGCSA-N 1 2 330.388 1.251 20 30 EDEDLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)nc1 ZINC000599449181 449984927 /nfs/dbraw/zinc/98/49/27/449984927.db2.gz LQXWRYXTBPZSBQ-GFCCVEGCSA-N 1 2 330.388 1.251 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3cccc(F)c3C#N)CC2)C[C@@H](C)O1 ZINC000595289782 450005394 /nfs/dbraw/zinc/00/53/94/450005394.db2.gz SEPPSULLGHICTP-HZPDHXFCSA-N 1 2 346.450 1.929 20 30 EDEDLO C[C@H]1CN(CC[NH+]2CCN(c3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000595295325 450010319 /nfs/dbraw/zinc/01/03/19/450010319.db2.gz ITLRAUZMFGVJOV-HOTGVXAUSA-N 1 2 329.448 1.184 20 30 EDEDLO N#CCN1CCC(NC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000609335587 450011632 /nfs/dbraw/zinc/01/16/32/450011632.db2.gz CAHGIWLAVXZLFO-UHFFFAOYSA-N 1 2 330.436 1.049 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000601526516 450049463 /nfs/dbraw/zinc/04/94/63/450049463.db2.gz MLDQMSUETNSFQC-UHFFFAOYSA-N 1 2 334.401 1.477 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603085028 450057177 /nfs/dbraw/zinc/05/71/77/450057177.db2.gz BNVHOOMBZVGOHU-PBFPGSCMSA-N 1 2 331.441 1.943 20 30 EDEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603085028 450057182 /nfs/dbraw/zinc/05/71/82/450057182.db2.gz BNVHOOMBZVGOHU-PBFPGSCMSA-N 1 2 331.441 1.943 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000613163232 450058895 /nfs/dbraw/zinc/05/88/95/450058895.db2.gz OCLXRZZMXAHSPI-OAGGEKHMSA-N 1 2 347.463 1.017 20 30 EDEDLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ncc1C#N ZINC000603112942 450075653 /nfs/dbraw/zinc/07/56/53/450075653.db2.gz LHDVNRWQMIRJQE-DZGCQCFKSA-N 1 2 329.404 1.589 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](CCOc2ccccc2C#N)C1 ZINC000599581559 450082033 /nfs/dbraw/zinc/08/20/33/450082033.db2.gz QKENYFOZYGOVPV-CABCVRRESA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000599581559 450082036 /nfs/dbraw/zinc/08/20/36/450082036.db2.gz QKENYFOZYGOVPV-CABCVRRESA-N 1 2 346.383 1.364 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000595375333 450087518 /nfs/dbraw/zinc/08/75/18/450087518.db2.gz CFUGBOAWQWXAGG-GGPKGHCWSA-N 1 2 342.487 1.978 20 30 EDEDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000599651406 450128747 /nfs/dbraw/zinc/12/87/47/450128747.db2.gz HFMMPMXJORNNGN-CYBMUJFWSA-N 1 2 326.437 1.768 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599669350 450141914 /nfs/dbraw/zinc/14/19/14/450141914.db2.gz OADDDFXKUHXONH-SWLSCSKDSA-N 1 2 345.399 1.159 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599669350 450141921 /nfs/dbraw/zinc/14/19/21/450141921.db2.gz OADDDFXKUHXONH-SWLSCSKDSA-N 1 2 345.399 1.159 20 30 EDEDLO N#Cc1cccc(F)c1CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597708630 450212744 /nfs/dbraw/zinc/21/27/44/450212744.db2.gz ZAEOKNWBHWLHNM-HNNXBMFYSA-N 1 2 331.391 1.563 20 30 EDEDLO Cc1cccn2cc(CCNC(=O)Nc3ccn(CCC#N)n3)[nH+]c12 ZINC000610462477 450229783 /nfs/dbraw/zinc/22/97/83/450229783.db2.gz WLZBSUZWSLIYRW-UHFFFAOYSA-N 1 2 337.387 2.117 20 30 EDEDLO N#CC1(CC(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CCOCC1 ZINC000601730906 450194108 /nfs/dbraw/zinc/19/41/08/450194108.db2.gz YTAXGJHCJMFQFU-UHFFFAOYSA-N 1 2 343.427 1.747 20 30 EDEDLO CCC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H]1CC(=O)N(C)C1=O ZINC000619783928 450333014 /nfs/dbraw/zinc/33/30/14/450333014.db2.gz HFTQUQJTCHQCKZ-HNNXBMFYSA-N 1 2 343.383 1.314 20 30 EDEDLO CCC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H]1CC(=O)N(C)C1=O ZINC000619783928 450333020 /nfs/dbraw/zinc/33/30/20/450333020.db2.gz HFTQUQJTCHQCKZ-HNNXBMFYSA-N 1 2 343.383 1.314 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000619784810 450333303 /nfs/dbraw/zinc/33/33/03/450333303.db2.gz UHXAYMJUURJKHG-MRXNPFEDSA-N 1 2 332.835 1.824 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000625367054 450316851 /nfs/dbraw/zinc/31/68/51/450316851.db2.gz XADRVVNHTSRXJD-HNNXBMFYSA-N 1 2 337.464 1.028 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000619039706 450387282 /nfs/dbraw/zinc/38/72/82/450387282.db2.gz SPWPXADZQUUJFJ-KBXCAEBGSA-N 1 2 342.443 1.908 20 30 EDEDLO CCOc1cc(N2CC[NH+](CC#CCOC)CC2)ccc1[N+](=O)[O-] ZINC000619511486 450496321 /nfs/dbraw/zinc/49/63/21/450496321.db2.gz OWFNBFCKTZIUCE-UHFFFAOYSA-N 1 2 333.388 1.765 20 30 EDEDLO N#CC1(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000619525725 450498832 /nfs/dbraw/zinc/49/88/32/450498832.db2.gz WYCVKXFJYYCZNP-MRXNPFEDSA-N 1 2 328.416 1.663 20 30 EDEDLO C=C(C)COCCNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000623769433 450580118 /nfs/dbraw/zinc/58/01/18/450580118.db2.gz YHXJXAZMUHAPMM-KRWDZBQOSA-N 1 2 348.447 1.174 20 30 EDEDLO C=C(C)COCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000623769433 450580120 /nfs/dbraw/zinc/58/01/20/450580120.db2.gz YHXJXAZMUHAPMM-KRWDZBQOSA-N 1 2 348.447 1.174 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000623990442 450661921 /nfs/dbraw/zinc/66/19/21/450661921.db2.gz CWKNYHOEEKZIFK-SJORKVTESA-N 1 2 332.448 1.936 20 30 EDEDLO C=CC[C@@H](CC)NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000623990442 450661932 /nfs/dbraw/zinc/66/19/32/450661932.db2.gz CWKNYHOEEKZIFK-SJORKVTESA-N 1 2 332.448 1.936 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2c3ccccc3CC[C@@H]2C)nn1 ZINC000640895903 451679520 /nfs/dbraw/zinc/67/95/20/451679520.db2.gz AOTYBPJWSLOYIU-HNNXBMFYSA-N 1 2 337.427 1.759 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2nc(C)c(C)s2)nn1 ZINC000640918539 451690741 /nfs/dbraw/zinc/69/07/41/451690741.db2.gz STPBDAVULDFCCB-NSHDSACASA-N 1 2 332.433 1.664 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2nc3cc(F)ccc3n2CC)nn1 ZINC000641025456 451733487 /nfs/dbraw/zinc/73/34/87/451733487.db2.gz XVBOXQAGQXRMMP-UHFFFAOYSA-N 1 2 326.379 1.948 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(CCC)CC(F)(F)F)nn1 ZINC000641119820 451755230 /nfs/dbraw/zinc/75/52/30/451755230.db2.gz MFGAVAPNFHNJHY-UHFFFAOYSA-N 1 2 331.342 1.192 20 30 EDEDLO C=CCC[C@H](CO)NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000637410885 451838827 /nfs/dbraw/zinc/83/88/27/451838827.db2.gz GQEXHRRLGPYHPV-CQSZACIVSA-N 1 2 335.452 1.947 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639856252 452189853 /nfs/dbraw/zinc/18/98/53/452189853.db2.gz PGRRYTRYSZXWHS-GUYCJALGSA-N 1 2 336.457 1.721 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639856252 452189854 /nfs/dbraw/zinc/18/98/54/452189854.db2.gz PGRRYTRYSZXWHS-GUYCJALGSA-N 1 2 336.457 1.721 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)nn1 ZINC000657472492 452269637 /nfs/dbraw/zinc/26/96/37/452269637.db2.gz OPXHDUILKPENAF-ZDUSSCGKSA-N 1 2 329.379 1.888 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000662080390 452826863 /nfs/dbraw/zinc/82/68/63/452826863.db2.gz PMAFREFPFFVMLL-APIJFGDWSA-N 1 2 326.462 1.203 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000662080390 452826869 /nfs/dbraw/zinc/82/68/69/452826869.db2.gz PMAFREFPFFVMLL-APIJFGDWSA-N 1 2 326.462 1.203 20 30 EDEDLO C=CCn1cc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000648730084 453216999 /nfs/dbraw/zinc/21/69/99/453216999.db2.gz CPNXDIFNNYFBHD-UHFFFAOYSA-N 1 2 340.431 1.016 20 30 EDEDLO CC#CCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000664704508 453333049 /nfs/dbraw/zinc/33/30/49/453333049.db2.gz WVPHHYSBGLILOO-GOSISDBHSA-N 1 2 328.460 1.515 20 30 EDEDLO CC#CCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000664704508 453333053 /nfs/dbraw/zinc/33/30/53/453333053.db2.gz WVPHHYSBGLILOO-GOSISDBHSA-N 1 2 328.460 1.515 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@H](c2cnn(C)c2)C2(CO)CCC2)nn1 ZINC000660599629 453443414 /nfs/dbraw/zinc/44/34/14/453443414.db2.gz KYHFNEYRBCMZJV-MRXNPFEDSA-N 1 2 330.436 1.581 20 30 EDEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000665390482 453678137 /nfs/dbraw/zinc/67/81/37/453678137.db2.gz GUXPJURVPDWFFE-GJZGRUSLSA-N 1 2 336.480 1.712 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000665561167 453749693 /nfs/dbraw/zinc/74/96/93/453749693.db2.gz KZJJZZLZHIYOQZ-INIZCTEOSA-N 1 2 335.473 1.863 20 30 EDEDLO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661376987 453803086 /nfs/dbraw/zinc/80/30/86/453803086.db2.gz IUOSUSVNPLRREF-KFWWJZLASA-N 1 2 328.478 1.309 20 30 EDEDLO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000661376987 453803087 /nfs/dbraw/zinc/80/30/87/453803087.db2.gz IUOSUSVNPLRREF-KFWWJZLASA-N 1 2 328.478 1.309 20 30 EDEDLO C=CCCCCNC(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672763306 486794581 /nfs/dbraw/zinc/79/45/81/486794581.db2.gz GWZWZFDBOPRWES-UHFFFAOYSA-N 1 2 328.416 1.774 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000668829562 486238290 /nfs/dbraw/zinc/23/82/90/486238290.db2.gz OIXYDWHPRBCQCI-OWCLPIDISA-N 1 2 337.464 1.027 20 30 EDEDLO COC(=O)c1cn(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)nn1 ZINC000183741691 534301742 /nfs/dbraw/zinc/30/17/42/534301742.db2.gz LXPRELYCLYSDOB-UHFFFAOYSA-N 1 2 343.362 1.913 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000125660914 534357332 /nfs/dbraw/zinc/35/73/32/534357332.db2.gz QKIFZIFDONFVKT-CQSZACIVSA-N 1 2 333.436 1.170 20 30 EDEDLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCN(CC#N)CC1 ZINC000092936298 534857488 /nfs/dbraw/zinc/85/74/88/534857488.db2.gz LENIQVWAPWSLCA-UHFFFAOYSA-N 1 2 333.436 1.093 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000129807675 526906431 /nfs/dbraw/zinc/90/64/31/526906431.db2.gz YIDOSTHZNPGBTC-UHFFFAOYSA-N 1 2 342.399 1.935 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000106370997 528327283 /nfs/dbraw/zinc/32/72/83/528327283.db2.gz HHDLUZMZVJFZFT-GOSISDBHSA-N 1 2 331.464 1.956 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251480 528689222 /nfs/dbraw/zinc/68/92/22/528689222.db2.gz DDFWHSVWCIPGBR-NVXWUHKLSA-N 1 2 342.443 1.732 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111251480 528689228 /nfs/dbraw/zinc/68/92/28/528689228.db2.gz DDFWHSVWCIPGBR-NVXWUHKLSA-N 1 2 342.443 1.732 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000247881734 535432857 /nfs/dbraw/zinc/43/28/57/535432857.db2.gz CITGOUCENAKWQA-UHFFFAOYSA-N 1 2 329.448 1.561 20 30 EDEDLO N#Cc1cc(S(N)(=O)=O)ccc1NCc1cn2ccccc2[nH+]1 ZINC000742175469 579438081 /nfs/dbraw/zinc/43/80/81/579438081.db2.gz UJIRSPDIKLXLCE-UHFFFAOYSA-N 1 2 327.369 1.465 20 30 EDEDLO Cc1cccc(N=C2NC(=O)[C@H](CC(=O)NCCC[NH+](C)C)S2)c1 ZINC000743277160 579474903 /nfs/dbraw/zinc/47/49/03/579474903.db2.gz JXSUGBHJIGITEP-AWEZNQCLSA-N 1 2 348.472 1.672 20 30 EDEDLO C#CCN(CC#CC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000743854909 579492355 /nfs/dbraw/zinc/49/23/55/579492355.db2.gz RRRMZHDWHFMEET-UHFFFAOYSA-N 1 2 329.469 1.351 20 30 EDEDLO N#Cc1ccccc1CN1C(=O)CN(C[N@@H+]2CCCOCC2)C1=O ZINC000726589465 578350788 /nfs/dbraw/zinc/35/07/88/578350788.db2.gz NWHANUKREHUMED-UHFFFAOYSA-N 1 2 328.372 1.002 20 30 EDEDLO N#Cc1ccccc1CN1C(=O)CN(C[N@H+]2CCCOCC2)C1=O ZINC000726589465 578350790 /nfs/dbraw/zinc/35/07/90/578350790.db2.gz NWHANUKREHUMED-UHFFFAOYSA-N 1 2 328.372 1.002 20 30 EDEDLO C[C@H](OC(=O)CCc1ccc(N)[nH+]c1)C(=O)NC1(C#N)CCCCC1 ZINC000759812143 580015915 /nfs/dbraw/zinc/01/59/15/580015915.db2.gz VAZIVVCEYGLILA-ZDUSSCGKSA-N 1 2 344.415 1.871 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@](C)(CCC)NC(=O)OC(C)(C)C)CC1 ZINC000727863192 578540175 /nfs/dbraw/zinc/54/01/75/578540175.db2.gz VRHGFPFEXHLCGZ-GOSISDBHSA-N 1 2 337.464 1.847 20 30 EDEDLO CON=Cc1ccc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000729974999 578604917 /nfs/dbraw/zinc/60/49/17/578604917.db2.gz LNRKTKLYKZNCGO-UHFFFAOYSA-N 1 2 341.415 1.358 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 ZINC000730280760 578639198 /nfs/dbraw/zinc/63/91/98/578639198.db2.gz AJNZIBJKSYOCDE-CJNGLKHVSA-N 1 2 329.400 1.696 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 ZINC000730280760 578639199 /nfs/dbraw/zinc/63/91/99/578639199.db2.gz AJNZIBJKSYOCDE-CJNGLKHVSA-N 1 2 329.400 1.696 20 30 EDEDLO CCOCC[N@H+](CC)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000730802335 578658670 /nfs/dbraw/zinc/65/86/70/578658670.db2.gz QSIUTFCMQTZUHO-GOSISDBHSA-N 1 2 344.415 1.641 20 30 EDEDLO CCOCC[N@@H+](CC)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000730802335 578658672 /nfs/dbraw/zinc/65/86/72/578658672.db2.gz QSIUTFCMQTZUHO-GOSISDBHSA-N 1 2 344.415 1.641 20 30 EDEDLO C=CCN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000731897776 578682956 /nfs/dbraw/zinc/68/29/56/578682956.db2.gz ZBAWNTCEHGDRDM-OAHLLOKOSA-N 1 2 330.494 1.700 20 30 EDEDLO C=CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000731897776 578682957 /nfs/dbraw/zinc/68/29/57/578682957.db2.gz ZBAWNTCEHGDRDM-OAHLLOKOSA-N 1 2 330.494 1.700 20 30 EDEDLO COCCOc1ccc([NH2+]C[C@H]2CNc3c(C#N)cnn3C2)cc1 ZINC000734158194 578801059 /nfs/dbraw/zinc/80/10/59/578801059.db2.gz SBBLOKAEJPENOL-ZDUSSCGKSA-N 1 2 327.388 1.934 20 30 EDEDLO C=CC[N@@H+](CCCS(C)(=O)=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418761 578883111 /nfs/dbraw/zinc/88/31/11/578883111.db2.gz IVQWOTGEMCLHAH-UHFFFAOYSA-N 1 2 335.433 1.289 20 30 EDEDLO C=CC[N@H+](CCCS(C)(=O)=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418761 578883112 /nfs/dbraw/zinc/88/31/12/578883112.db2.gz IVQWOTGEMCLHAH-UHFFFAOYSA-N 1 2 335.433 1.289 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000761670840 580060258 /nfs/dbraw/zinc/06/02/58/580060258.db2.gz VFXABTGMKVROQW-ZDUSSCGKSA-N 1 2 335.383 1.095 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc(F)cc2OCC#N)C1 ZINC000761670840 580060259 /nfs/dbraw/zinc/06/02/59/580060259.db2.gz VFXABTGMKVROQW-ZDUSSCGKSA-N 1 2 335.383 1.095 20 30 EDEDLO CCOC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000777378339 580440387 /nfs/dbraw/zinc/44/03/87/580440387.db2.gz UBQYDFWPGZJUEI-UHFFFAOYSA-N 1 2 343.427 1.393 20 30 EDEDLO CCOC(=O)C[N@H+]1CCCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000777378339 580440388 /nfs/dbraw/zinc/44/03/88/580440388.db2.gz UBQYDFWPGZJUEI-UHFFFAOYSA-N 1 2 343.427 1.393 20 30 EDEDLO N#Cc1c(F)cccc1S(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000751457003 579808302 /nfs/dbraw/zinc/80/83/02/579808302.db2.gz ZCCBJURHOIZVBB-UHFFFAOYSA-N 1 2 332.316 1.240 20 30 EDEDLO C#CCOCCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000752612655 579862322 /nfs/dbraw/zinc/86/23/22/579862322.db2.gz PLFNRTLREDSCGF-OAHLLOKOSA-N 1 2 331.416 1.851 20 30 EDEDLO Cn1c[nH+]cc1C=NNS(=O)(=O)c1ccc(Br)cc1 ZINC000755490173 579927987 /nfs/dbraw/zinc/92/79/87/579927987.db2.gz DKJGJZBYPMUATM-UHFFFAOYSA-N 1 2 343.206 1.495 20 30 EDEDLO COC(C)(C)C[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000758816871 579992322 /nfs/dbraw/zinc/99/23/22/579992322.db2.gz ZFVVJGBJGSYUIF-CYBMUJFWSA-N 1 2 342.399 1.868 20 30 EDEDLO COC(C)(C)C[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000758816871 579992323 /nfs/dbraw/zinc/99/23/23/579992323.db2.gz ZFVVJGBJGSYUIF-CYBMUJFWSA-N 1 2 342.399 1.868 20 30 EDEDLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1cc(C#N)ncn1 ZINC000764818324 580129206 /nfs/dbraw/zinc/12/92/06/580129206.db2.gz UFULGFCVJXIMDR-UHFFFAOYSA-N 1 2 346.435 1.337 20 30 EDEDLO C#CCNC(=O)C1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000766405856 580166213 /nfs/dbraw/zinc/16/62/13/580166213.db2.gz ZDDUYNLHKPTAIV-UHFFFAOYSA-N 1 2 340.431 1.547 20 30 EDEDLO N#Cc1c2c(cn(C[NH+]3CCC([C@H]4CCOC4)CC3)c1=O)CCC2 ZINC000766634759 580170888 /nfs/dbraw/zinc/17/08/88/580170888.db2.gz ZQUSRHSMANNQPV-INIZCTEOSA-N 1 2 327.428 1.915 20 30 EDEDLO CC#CCCCC(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000767669013 580196537 /nfs/dbraw/zinc/19/65/37/580196537.db2.gz ZTSIONDVDFBGIA-UHFFFAOYSA-N 1 2 332.400 1.661 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000767777858 580199319 /nfs/dbraw/zinc/19/93/19/580199319.db2.gz XXEJUJQNRTUJQH-KRWDZBQOSA-N 1 2 329.400 1.750 20 30 EDEDLO CC[C@H]1C[C@H](C)CCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000769566641 580240288 /nfs/dbraw/zinc/24/02/88/580240288.db2.gz GNAWPBLYVOLRAO-KGLIPLIRSA-N 1 2 326.510 1.985 20 30 EDEDLO CC(C)Oc1ccc(NC(=S)NCC[NH+]2CCOCC2)cc1C#N ZINC000771839167 580296329 /nfs/dbraw/zinc/29/63/29/580296329.db2.gz UWXJOUTYULRDRC-UHFFFAOYSA-N 1 2 348.472 1.964 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772043762 580301493 /nfs/dbraw/zinc/30/14/93/580301493.db2.gz BDHXZVJEJFUTFT-WOSRLPQWSA-N 1 2 341.477 1.410 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772043762 580301494 /nfs/dbraw/zinc/30/14/94/580301494.db2.gz BDHXZVJEJFUTFT-WOSRLPQWSA-N 1 2 341.477 1.410 20 30 EDEDLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1cnc(C#N)cn1 ZINC000772045526 580301653 /nfs/dbraw/zinc/30/16/53/580301653.db2.gz WDZGMJJVQGTSGQ-UHFFFAOYSA-N 1 2 346.435 1.337 20 30 EDEDLO C[C@@H]1COCCC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000772828222 580321560 /nfs/dbraw/zinc/32/15/60/580321560.db2.gz ZUFANLVPNQYZFQ-FZKQIMNGSA-N 1 2 342.399 1.394 20 30 EDEDLO C[C@@H]1COCCC[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000772828222 580321561 /nfs/dbraw/zinc/32/15/61/580321561.db2.gz ZUFANLVPNQYZFQ-FZKQIMNGSA-N 1 2 342.399 1.394 20 30 EDEDLO CCC(=NNC(=S)NCC[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000773005074 580325053 /nfs/dbraw/zinc/32/50/53/580325053.db2.gz IKCVOWAAYNYVBZ-UHFFFAOYSA-N 1 2 345.472 1.469 20 30 EDEDLO C#C[C@@H]([NH2+]CC(=O)Nc1nnc(-c2sccc2C)o1)[C@@H]1CCCO1 ZINC000775788992 580400501 /nfs/dbraw/zinc/40/05/01/580400501.db2.gz AEBJSVXLXXGOSE-NEPJUHHUSA-N 1 2 346.412 1.815 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593826 580423301 /nfs/dbraw/zinc/42/33/01/580423301.db2.gz ZZGHDMTYWYOBPA-QGZVFWFLSA-N 1 2 348.403 1.176 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc2cc(Cl)ccc2n1C ZINC000779096451 580479106 /nfs/dbraw/zinc/47/91/06/580479106.db2.gz WJTOXQUOPSVOGR-HNNXBMFYSA-N 1 2 330.819 1.941 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc2cc(Cl)ccc2n1C ZINC000779096451 580479107 /nfs/dbraw/zinc/47/91/07/580479107.db2.gz WJTOXQUOPSVOGR-HNNXBMFYSA-N 1 2 330.819 1.941 20 30 EDEDLO C[NH+](C)[C@H](C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000780087717 580512397 /nfs/dbraw/zinc/51/23/97/580512397.db2.gz DWKZXDGJCJZQJX-IRXDYDNUSA-N 1 2 337.379 1.931 20 30 EDEDLO C[NH+](C)[C@@H](C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000780093916 580512669 /nfs/dbraw/zinc/51/26/69/580512669.db2.gz HXXJOGLHKNEGGW-SJLPKXTDSA-N 1 2 329.400 1.641 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H](O)c2ccc(C#N)cc2)no1 ZINC000780921578 580537685 /nfs/dbraw/zinc/53/76/85/580537685.db2.gz MMEGTLVVLNITTE-CQSZACIVSA-N 1 2 343.387 1.088 20 30 EDEDLO N#CCC1CCN(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000781996871 580563016 /nfs/dbraw/zinc/56/30/16/580563016.db2.gz ZAYHXHTXFSCLQT-UHFFFAOYSA-N 1 2 338.371 1.358 20 30 EDEDLO Cn1ncc(Br)c1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000782285476 580570896 /nfs/dbraw/zinc/57/08/96/580570896.db2.gz PRENEDVEEHDBNW-UHFFFAOYSA-N 1 2 347.180 1.604 20 30 EDEDLO Cn1ncc(Br)c1C=NNc1ccc(-n2cc[nH+]c2)nn1 ZINC000782285476 580570897 /nfs/dbraw/zinc/57/08/97/580570897.db2.gz PRENEDVEEHDBNW-UHFFFAOYSA-N 1 2 347.180 1.604 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000786172574 580663439 /nfs/dbraw/zinc/66/34/39/580663439.db2.gz FRXPNMFGECWLMO-HUUCEWRRSA-N 1 2 335.448 1.409 20 30 EDEDLO COC(=O)[C@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@H]1C ZINC000787327010 580693104 /nfs/dbraw/zinc/69/31/04/580693104.db2.gz LBBCIJCIYKKCQI-STQMWFEESA-N 1 2 340.383 1.303 20 30 EDEDLO COC(=O)[C@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@H]1C ZINC000787327010 580693105 /nfs/dbraw/zinc/69/31/05/580693105.db2.gz LBBCIJCIYKKCQI-STQMWFEESA-N 1 2 340.383 1.303 20 30 EDEDLO CCOCCOCC[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000787328613 580693201 /nfs/dbraw/zinc/69/32/01/580693201.db2.gz FCDWJGGCNDBEIO-UHFFFAOYSA-N 1 2 344.415 1.405 20 30 EDEDLO CCOCCOCC[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000787328613 580693202 /nfs/dbraw/zinc/69/32/02/580693202.db2.gz FCDWJGGCNDBEIO-UHFFFAOYSA-N 1 2 344.415 1.405 20 30 EDEDLO N#Cc1c(=O)n(C[NH+]2CCC3(CC2)OCCO3)cc2c1CCCC2 ZINC000793483455 580845294 /nfs/dbraw/zinc/84/52/94/580845294.db2.gz LGHWOHROWSVGBY-UHFFFAOYSA-N 1 2 329.400 1.395 20 30 EDEDLO C=CC[C@@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1)c1ccncc1 ZINC000793730103 580853997 /nfs/dbraw/zinc/85/39/97/580853997.db2.gz VNYGDJCHDVGIAF-MRXNPFEDSA-N 1 2 341.415 1.608 20 30 EDEDLO CN(C)c1ccc(C=[NH+]NCCS(C)(=O)=O)c(C(F)(F)F)c1 ZINC000794511695 580895585 /nfs/dbraw/zinc/89/55/85/580895585.db2.gz HQDVIXMULCDTOQ-UHFFFAOYSA-N 1 2 337.367 1.740 20 30 EDEDLO Cc1nccc(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000794720622 580904540 /nfs/dbraw/zinc/90/45/40/580904540.db2.gz MGHYPICVSNBHRU-UHFFFAOYSA-N 1 2 341.415 1.454 20 30 EDEDLO C#CC[N@H+](Cc1ccccc1)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 ZINC000796634031 580958573 /nfs/dbraw/zinc/95/85/73/580958573.db2.gz XMGCAYCEFWESJL-CQSZACIVSA-N 1 2 341.411 1.640 20 30 EDEDLO C#CC[N@@H+](Cc1ccccc1)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 ZINC000796634031 580958574 /nfs/dbraw/zinc/95/85/74/580958574.db2.gz XMGCAYCEFWESJL-CQSZACIVSA-N 1 2 341.411 1.640 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@@H](c3ccc(C)cc3)CC2=O)C1=O ZINC000799144489 581018830 /nfs/dbraw/zinc/01/88/30/581018830.db2.gz ZLKDBQKXYOTDOK-ZWKOTPCHSA-N 1 2 341.455 1.987 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@@H](c3ccc(C)cc3)CC2=O)C1=O ZINC000799144489 581018831 /nfs/dbraw/zinc/01/88/31/581018831.db2.gz ZLKDBQKXYOTDOK-ZWKOTPCHSA-N 1 2 341.455 1.987 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)c1ccc(F)cn1 ZINC000799305379 581024728 /nfs/dbraw/zinc/02/47/28/581024728.db2.gz SJVAZJYRLSLYPM-LRDDRELGSA-N 1 2 342.378 1.126 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)c1ccc(F)cn1 ZINC000799305379 581024729 /nfs/dbraw/zinc/02/47/29/581024729.db2.gz SJVAZJYRLSLYPM-LRDDRELGSA-N 1 2 342.378 1.126 20 30 EDEDLO CCc1cc(N2CCN(c3c(C#N)c(C)nn3C)CC2)nc(CC)[nH+]1 ZINC000893429371 590864675 /nfs/dbraw/zinc/86/46/75/590864675.db2.gz YKVJJQLBJZKTPL-UHFFFAOYSA-N 1 2 339.447 1.842 20 30 EDEDLO Cc1cc(C#N)nc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000892330534 590954844 /nfs/dbraw/zinc/95/48/44/590954844.db2.gz ITFPOOJDTKJYOB-OAHLLOKOSA-N 1 2 341.459 1.831 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@@H](C)Oc2ccccc2C#N)C[N@@H+]1C ZINC000893568192 590967724 /nfs/dbraw/zinc/96/77/24/590967724.db2.gz UKMIDQOMTCKZIM-DFHBCGBQSA-N 1 2 346.383 1.505 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@@H](C)Oc2ccccc2C#N)C[N@H+]1C ZINC000893568192 590967726 /nfs/dbraw/zinc/96/77/26/590967726.db2.gz UKMIDQOMTCKZIM-DFHBCGBQSA-N 1 2 346.383 1.505 20 30 EDEDLO Cc1nn(C)c(CN(CCC#N)CC[NH+]2CCOCC2)c1Cl ZINC000891393874 591066684 /nfs/dbraw/zinc/06/66/84/591066684.db2.gz LJXGUCZBAZLKNK-UHFFFAOYSA-N 1 2 325.844 1.430 20 30 EDEDLO COC(=O)[C@H]1[C@H](C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1(F)F ZINC000893902138 591130329 /nfs/dbraw/zinc/13/03/29/591130329.db2.gz IYLKGCDIMUDNLP-JKSUJKDBSA-N 1 2 349.381 1.730 20 30 EDEDLO CCOC(=O)Cn1cc(C[N@H+](CC)CCC#N)c(-c2cnn(C)c2)n1 ZINC000893922213 591139321 /nfs/dbraw/zinc/13/93/21/591139321.db2.gz ALCDITZBVPXRMR-UHFFFAOYSA-N 1 2 344.419 1.582 20 30 EDEDLO CCOC(=O)Cn1cc(C[N@@H+](CC)CCC#N)c(-c2cnn(C)c2)n1 ZINC000893922213 591139323 /nfs/dbraw/zinc/13/93/23/591139323.db2.gz ALCDITZBVPXRMR-UHFFFAOYSA-N 1 2 344.419 1.582 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2CO)CC1 ZINC000891704888 591193038 /nfs/dbraw/zinc/19/30/38/591193038.db2.gz BYWUZXXHHWGEPH-CQSZACIVSA-N 1 2 330.432 1.087 20 30 EDEDLO COCCOCC[NH+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000894406305 591303547 /nfs/dbraw/zinc/30/35/47/591303547.db2.gz FHAVXTGRYHSQSQ-UHFFFAOYSA-N 1 2 340.405 1.313 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ncc(Br)cc2O)C[C@H](C)N1CC#N ZINC000895969437 591314882 /nfs/dbraw/zinc/31/48/82/591314882.db2.gz NDZWXFFDQDEPBO-PHIMTYICSA-N 1 2 339.237 1.968 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ncc(Br)cc2O)C[C@H](C)N1CC#N ZINC000895969437 591314884 /nfs/dbraw/zinc/31/48/84/591314884.db2.gz NDZWXFFDQDEPBO-PHIMTYICSA-N 1 2 339.237 1.968 20 30 EDEDLO N#Cc1ccc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c(CO)c1 ZINC000894810798 591426173 /nfs/dbraw/zinc/42/61/73/591426173.db2.gz HTIBRNZWNSKRSM-GOSISDBHSA-N 1 2 338.411 1.758 20 30 EDEDLO N#Cc1ccc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c(CO)c1 ZINC000894810798 591426185 /nfs/dbraw/zinc/42/61/85/591426185.db2.gz HTIBRNZWNSKRSM-GOSISDBHSA-N 1 2 338.411 1.758 20 30 EDEDLO C=CCNS(=O)(=O)c1ccccc1N1CCc2c([nH+]cn2CC)C1 ZINC000896654289 591566753 /nfs/dbraw/zinc/56/67/53/591566753.db2.gz NOGXSDQRTMMRIA-UHFFFAOYSA-N 1 2 346.456 1.930 20 30 EDEDLO COC(=O)[C@@H]1[C@H](C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)C1(F)F ZINC000897595668 591574914 /nfs/dbraw/zinc/57/49/14/591574914.db2.gz FHVXAQNPCHPDTG-KKUMJFAQSA-N 1 2 336.338 1.986 20 30 EDEDLO COC(=O)[C@@H]1[C@H](C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)C1(F)F ZINC000897595668 591574915 /nfs/dbraw/zinc/57/49/15/591574915.db2.gz FHVXAQNPCHPDTG-KKUMJFAQSA-N 1 2 336.338 1.986 20 30 EDEDLO C#CCCOc1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000899061795 591666618 /nfs/dbraw/zinc/66/66/18/591666618.db2.gz OFZOIVANPGCTFL-UHFFFAOYSA-N 1 2 344.411 1.267 20 30 EDEDLO C#CCCOc1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000899061795 591666620 /nfs/dbraw/zinc/66/66/20/591666620.db2.gz OFZOIVANPGCTFL-UHFFFAOYSA-N 1 2 344.411 1.267 20 30 EDEDLO C#CCSCC(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@H]2C1 ZINC000899164565 591712754 /nfs/dbraw/zinc/71/27/54/591712754.db2.gz PLBAIYXWFPXBMS-GJZGRUSLSA-N 1 2 331.441 1.384 20 30 EDEDLO N#C[C@]12C[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 ZINC000897063668 591730215 /nfs/dbraw/zinc/73/02/15/591730215.db2.gz PABIABMKTWDHTI-XYJFISCASA-N 1 2 345.468 1.383 20 30 EDEDLO N#C[C@]12C[N@H+](C[C@@H]3CCN(c4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 ZINC000897063668 591730216 /nfs/dbraw/zinc/73/02/16/591730216.db2.gz PABIABMKTWDHTI-XYJFISCASA-N 1 2 345.468 1.383 20 30 EDEDLO CO[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCSC1 ZINC000895408685 591746496 /nfs/dbraw/zinc/74/64/96/591746496.db2.gz ZRHDIVKDDIKGNK-SFHVURJKSA-N 1 2 345.468 1.725 20 30 EDEDLO C=CCOC[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(=O)[O-] ZINC000901811425 591842194 /nfs/dbraw/zinc/84/21/94/591842194.db2.gz TXIYAXRZJOGUOT-GOSISDBHSA-N 1 2 347.459 1.967 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@H](c3ccc(F)cc3)CC2=O)C1=O ZINC000902249621 591960736 /nfs/dbraw/zinc/96/07/36/591960736.db2.gz RCNGBMUJMCRVQV-NVXWUHKLSA-N 1 2 345.418 1.818 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@H](c3ccc(F)cc3)CC2=O)C1=O ZINC000902249621 591960739 /nfs/dbraw/zinc/96/07/39/591960739.db2.gz RCNGBMUJMCRVQV-NVXWUHKLSA-N 1 2 345.418 1.818 20 30 EDEDLO O=C1C[C@H](c2cccnc2)CN1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902600570 592022348 /nfs/dbraw/zinc/02/23/48/592022348.db2.gz WEROGQPNSYMEAR-INIZCTEOSA-N 1 2 341.411 1.693 20 30 EDEDLO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(C#N)cc1F ZINC000903225528 592136457 /nfs/dbraw/zinc/13/64/57/592136457.db2.gz IMKGZCQWSBULLH-JTQLQIEISA-N 1 2 347.437 1.405 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)CNc2cccc[nH+]2)[C@H](C#N)C1 ZINC000900961668 592186537 /nfs/dbraw/zinc/18/65/37/592186537.db2.gz YQBBUYJTQOMQCY-CYBMUJFWSA-N 1 2 345.403 1.465 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000903519067 592194810 /nfs/dbraw/zinc/19/48/10/592194810.db2.gz SDETXTILDZZAJZ-CQSZACIVSA-N 1 2 343.399 1.544 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc3c(c2)N[C@H](C)CC(=O)N3)CC1 ZINC000906675353 592255435 /nfs/dbraw/zinc/25/54/35/592255435.db2.gz VVMMZVFAJWTHCX-CYBMUJFWSA-N 1 2 326.400 1.220 20 30 EDEDLO C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000901585243 592405343 /nfs/dbraw/zinc/40/53/43/592405343.db2.gz AQXATGYQXPBBBY-UHFFFAOYSA-N 1 2 334.416 1.470 20 30 EDEDLO C=CC[N@H+](CC(=O)[O-])Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000901585243 592405348 /nfs/dbraw/zinc/40/53/48/592405348.db2.gz AQXATGYQXPBBBY-UHFFFAOYSA-N 1 2 334.416 1.470 20 30 EDEDLO C[C@H]1C[N@H+](C)C[C@H](c2nnc(N(C)Cc3cc(C#N)cs3)n2C)O1 ZINC000908568698 592542847 /nfs/dbraw/zinc/54/28/47/592542847.db2.gz MFMHWDZYEYYHAE-SMDDNHRTSA-N 1 2 346.460 1.776 20 30 EDEDLO C[C@H]1C[N@@H+](C)C[C@H](c2nnc(N(C)Cc3cc(C#N)cs3)n2C)O1 ZINC000908568698 592542849 /nfs/dbraw/zinc/54/28/49/592542849.db2.gz MFMHWDZYEYYHAE-SMDDNHRTSA-N 1 2 346.460 1.776 20 30 EDEDLO C[C@]1(C#N)CCCN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000907335821 592594444 /nfs/dbraw/zinc/59/44/44/592594444.db2.gz OLCQABYYVLQACM-GOSISDBHSA-N 1 2 330.432 1.586 20 30 EDEDLO C[C@H]1CC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCO1 ZINC000905739514 592633267 /nfs/dbraw/zinc/63/32/67/592633267.db2.gz OLFCJAQOUXMTKR-AWEZNQCLSA-N 1 2 342.399 1.391 20 30 EDEDLO C[C@H]1CC[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCO1 ZINC000905739514 592633271 /nfs/dbraw/zinc/63/32/71/592633271.db2.gz OLFCJAQOUXMTKR-AWEZNQCLSA-N 1 2 342.399 1.391 20 30 EDEDLO C=CC[C@H]([NH2+][C@@H]1CCN(c2cc(OC)cc(OC)c2)C1)C(=O)OC ZINC000905762815 592639359 /nfs/dbraw/zinc/63/93/59/592639359.db2.gz UTSHTFVKUZBMFS-DYVFJYSZSA-N 1 2 334.416 1.990 20 30 EDEDLO Cc1nn(C[C@H](O)CC2(C#N)CCC2)c(C)c1[C@H]1COCC[N@H+]1C ZINC000905965800 592692739 /nfs/dbraw/zinc/69/27/39/592692739.db2.gz PCQDMSTUIMXKEY-HZPDHXFCSA-N 1 2 332.448 1.948 20 30 EDEDLO Cc1nn(C[C@H](O)CC2(C#N)CCC2)c(C)c1[C@H]1COCC[N@@H+]1C ZINC000905965800 592692742 /nfs/dbraw/zinc/69/27/42/592692742.db2.gz PCQDMSTUIMXKEY-HZPDHXFCSA-N 1 2 332.448 1.948 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)OCCCn2cc[nH+]c2)c1 ZINC000909891676 592714201 /nfs/dbraw/zinc/71/42/01/592714201.db2.gz GXENGHQGKCNWEO-UHFFFAOYSA-N 1 2 346.408 1.927 20 30 EDEDLO N#Cc1ccc(CN2CC[C@H](NC(=O)CNc3cccc[nH+]3)C2=O)cc1 ZINC000907722516 592771000 /nfs/dbraw/zinc/77/10/00/592771000.db2.gz QQHXEYMAMICTKU-INIZCTEOSA-N 1 2 349.394 1.282 20 30 EDEDLO N#Cc1ccc(C[N@H+](Cc2cn(Cc3ncon3)nn2)C2CC2)cc1 ZINC000906261676 592776726 /nfs/dbraw/zinc/77/67/26/592776726.db2.gz MUBBZYWHCPYPKA-UHFFFAOYSA-N 1 2 335.371 1.746 20 30 EDEDLO N#Cc1ccc(C[N@@H+](Cc2cn(Cc3ncon3)nn2)C2CC2)cc1 ZINC000906261676 592776729 /nfs/dbraw/zinc/77/67/29/592776729.db2.gz MUBBZYWHCPYPKA-UHFFFAOYSA-N 1 2 335.371 1.746 20 30 EDEDLO Cn1ccc(-n2cc(C[N@H+](C)C[C@H](O)c3cccc(C#N)c3)nn2)n1 ZINC000906313869 592793124 /nfs/dbraw/zinc/79/31/24/592793124.db2.gz SIDVTIKZJNMIHG-INIZCTEOSA-N 1 2 337.387 1.038 20 30 EDEDLO Cn1ccc(-n2cc(C[N@@H+](C)C[C@H](O)c3cccc(C#N)c3)nn2)n1 ZINC000906313869 592793127 /nfs/dbraw/zinc/79/31/27/592793127.db2.gz SIDVTIKZJNMIHG-INIZCTEOSA-N 1 2 337.387 1.038 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000907837504 592811552 /nfs/dbraw/zinc/81/15/52/592811552.db2.gz UKPJVOGOKLAQNM-WMZOPIPTSA-N 1 2 343.427 1.450 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000907837504 592811555 /nfs/dbraw/zinc/81/15/55/592811555.db2.gz UKPJVOGOKLAQNM-WMZOPIPTSA-N 1 2 343.427 1.450 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000906382738 592814193 /nfs/dbraw/zinc/81/41/93/592814193.db2.gz SPCLMZPVLGMZBV-ZOBUZTSGSA-N 1 2 340.489 1.292 20 30 EDEDLO C#CCCCc1nnc(N2CCn3cc[nH+]c3C2)n1C[C@H]1CCCO1 ZINC000909761862 592825472 /nfs/dbraw/zinc/82/54/72/592825472.db2.gz JOEYXDQVESEGDG-OAHLLOKOSA-N 1 2 340.431 1.630 20 30 EDEDLO CC(C)N1CC[NH+](CCC(=O)N2CCc3cc(C#N)ccc32)CC1 ZINC000910481236 592868932 /nfs/dbraw/zinc/86/89/32/592868932.db2.gz AXYKICOVDJQXSY-UHFFFAOYSA-N 1 2 326.444 1.863 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CN(C)C(=O)OC)cc1 ZINC000735274597 592979567 /nfs/dbraw/zinc/97/95/67/592979567.db2.gz KLZKBDIGRCMGPR-INIZCTEOSA-N 1 2 329.400 1.921 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CN(C)C(=O)OC)cc1 ZINC000735274597 592979568 /nfs/dbraw/zinc/97/95/68/592979568.db2.gz KLZKBDIGRCMGPR-INIZCTEOSA-N 1 2 329.400 1.921 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H](C)CO1 ZINC000888426079 593057389 /nfs/dbraw/zinc/05/73/89/593057389.db2.gz JVEJBUDWODMFJI-DTWKUNHWSA-N 1 2 343.840 1.899 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H](C)CO1 ZINC000888426079 593057390 /nfs/dbraw/zinc/05/73/90/593057390.db2.gz JVEJBUDWODMFJI-DTWKUNHWSA-N 1 2 343.840 1.899 20 30 EDEDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@@]2(C#N)CCCOC2)c1 ZINC000912531753 593103270 /nfs/dbraw/zinc/10/32/70/593103270.db2.gz AEAFANNIZKTUIS-QGZVFWFLSA-N 1 2 325.372 1.967 20 30 EDEDLO CS(=O)(=O)CCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949827 593131195 /nfs/dbraw/zinc/13/11/95/593131195.db2.gz NAJKLPTVJUZOGV-UHFFFAOYSA-N 1 2 335.223 1.521 20 30 EDEDLO CC(C)(C)C#CC(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000838372399 593164748 /nfs/dbraw/zinc/16/47/48/593164748.db2.gz NOMKRNRZQRGLFS-UHFFFAOYSA-N 1 2 332.400 1.517 20 30 EDEDLO CC1(C)C(=O)N(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)[C@H]1C1CC1 ZINC000811729067 593477118 /nfs/dbraw/zinc/47/71/18/593477118.db2.gz KYXRRKVJHGWEPY-KRWDZBQOSA-N 1 2 339.443 1.680 20 30 EDEDLO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCOC1 ZINC000812878874 593511824 /nfs/dbraw/zinc/51/18/24/593511824.db2.gz JHCQUIQVIXUTAG-OCCSQVGLSA-N 1 2 340.383 1.622 20 30 EDEDLO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCOC1 ZINC000812878874 593511825 /nfs/dbraw/zinc/51/18/25/593511825.db2.gz JHCQUIQVIXUTAG-OCCSQVGLSA-N 1 2 340.383 1.622 20 30 EDEDLO COc1cc[nH+]cc1CNC(=O)NCCNc1ncccc1C#N ZINC000814416508 593586283 /nfs/dbraw/zinc/58/62/83/593586283.db2.gz BEIJNPPASKKCCT-UHFFFAOYSA-N 1 2 326.360 1.268 20 30 EDEDLO CC(=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(N)[nH+]c1 ZINC000814822573 593604195 /nfs/dbraw/zinc/60/41/95/593604195.db2.gz SVOZNHNKTNUROR-UHFFFAOYSA-N 1 2 349.372 1.416 20 30 EDEDLO CC(=NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(N)[nH+]c1 ZINC000814863690 593605544 /nfs/dbraw/zinc/60/55/44/593605544.db2.gz XSELJUWFGNPVRZ-UHFFFAOYSA-N 1 2 335.345 1.275 20 30 EDEDLO COc1ccc(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1C#N ZINC000840331258 593626392 /nfs/dbraw/zinc/62/63/92/593626392.db2.gz XAIXAKQZRGLNEA-UHFFFAOYSA-N 1 2 346.431 1.477 20 30 EDEDLO COCC(COC)[NH+]1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000840360319 593698301 /nfs/dbraw/zinc/69/83/01/593698301.db2.gz XZBSSWSFLOOPKP-UHFFFAOYSA-N 1 2 330.841 1.452 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820012162 593783198 /nfs/dbraw/zinc/78/31/98/593783198.db2.gz VEIXPIKWYUOABY-MRXNPFEDSA-N 1 2 343.410 1.672 20 30 EDEDLO C#C[C@@H](C)NC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000820436421 593818950 /nfs/dbraw/zinc/81/89/50/593818950.db2.gz WWPAZSGGRATNAW-CYBMUJFWSA-N 1 2 345.834 1.837 20 30 EDEDLO C=CCNC(=O)c1cccc(-c2noc([C@@H]([NH3+])CC(=O)OC)n2)c1 ZINC000822770514 594097756 /nfs/dbraw/zinc/09/77/56/594097756.db2.gz FKLRTOKFPBRSCZ-LBPRGKRZSA-N 1 2 330.344 1.215 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000830117855 594339655 /nfs/dbraw/zinc/33/96/55/594339655.db2.gz OIQXXPDZBYGZOD-CZUORRHYSA-N 1 2 334.441 1.306 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000830117855 594339657 /nfs/dbraw/zinc/33/96/57/594339657.db2.gz OIQXXPDZBYGZOD-CZUORRHYSA-N 1 2 334.441 1.306 20 30 EDEDLO CC(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000830131602 594341891 /nfs/dbraw/zinc/34/18/91/594341891.db2.gz WWDSHXKBHBYXNL-HNNXBMFYSA-N 1 2 330.432 1.698 20 30 EDEDLO CC(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000830131602 594341893 /nfs/dbraw/zinc/34/18/93/594341893.db2.gz WWDSHXKBHBYXNL-HNNXBMFYSA-N 1 2 330.432 1.698 20 30 EDEDLO C#CCN(CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C(=O)OC(C)(C)C ZINC000831209884 594581705 /nfs/dbraw/zinc/58/17/05/594581705.db2.gz MZDVEMBRUPPOMW-CQSZACIVSA-N 1 2 346.431 1.606 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C#Cc2cccs2)CC1 ZINC000827008975 594622428 /nfs/dbraw/zinc/62/24/28/594622428.db2.gz JFUBZAVRZCAHHW-HNNXBMFYSA-N 1 2 345.468 1.255 20 30 EDEDLO C#C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000827240817 594655578 /nfs/dbraw/zinc/65/55/78/594655578.db2.gz OMYJDHAVNUAWTE-JQHSSLGASA-N 1 2 327.428 1.866 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000831687152 594692584 /nfs/dbraw/zinc/69/25/84/594692584.db2.gz JMJSOBIDTTWQBZ-UHFFFAOYSA-N 1 2 347.390 1.263 20 30 EDEDLO COC(=O)c1ccccc1OCC[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000831699153 594693807 /nfs/dbraw/zinc/69/38/07/594693807.db2.gz IINKHIXRPUXLPS-UHFFFAOYSA-N 1 2 346.383 1.631 20 30 EDEDLO COC(=O)c1n[nH]c2c1C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)CC2 ZINC000831997907 594717929 /nfs/dbraw/zinc/71/79/29/594717929.db2.gz LRKPCLQCAREEAD-OAHLLOKOSA-N 1 2 326.356 1.160 20 30 EDEDLO COC(=O)c1n[nH]c2c1C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)CC2 ZINC000831997907 594717930 /nfs/dbraw/zinc/71/79/30/594717930.db2.gz LRKPCLQCAREEAD-OAHLLOKOSA-N 1 2 326.356 1.160 20 30 EDEDLO C=C[C@H](C)ONC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000845627523 595034634 /nfs/dbraw/zinc/03/46/34/595034634.db2.gz GZVULOCPPWMGJZ-HNNXBMFYSA-N 1 2 349.431 1.907 20 30 EDEDLO C#CC[C@H]1NC(=O)N(C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)C1=O ZINC000842235561 595048035 /nfs/dbraw/zinc/04/80/35/595048035.db2.gz HTOLVWUWSHUZDJ-SJORKVTESA-N 1 2 341.411 1.312 20 30 EDEDLO C#Cc1ccccc1CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000846096688 595143423 /nfs/dbraw/zinc/14/34/23/595143423.db2.gz KGBMQBZQOTXRNZ-UHFFFAOYSA-N 1 2 347.422 1.869 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OC[C@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000835197590 595277889 /nfs/dbraw/zinc/27/78/89/595277889.db2.gz UKROIQZCWWTSAK-KFWWJZLASA-N 1 2 339.432 1.927 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)OC[C@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000835197590 595277892 /nfs/dbraw/zinc/27/78/92/595277892.db2.gz UKROIQZCWWTSAK-KFWWJZLASA-N 1 2 339.432 1.927 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000844362451 595330677 /nfs/dbraw/zinc/33/06/77/595330677.db2.gz CUVITCWDYOIRDE-UHFFFAOYSA-N 1 2 338.411 1.657 20 30 EDEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCCCn1cc[nH+]c1 ZINC000844913119 595413340 /nfs/dbraw/zinc/41/33/40/595413340.db2.gz ZMMXJQXLLAOYQA-QGZVFWFLSA-N 1 2 341.415 1.910 20 30 EDEDLO Cc1cccc(/N=C2\NC(=O)[C@@H](CC(=O)NCC[NH+](C)C)S2)c1 ZINC000106898474 595433270 /nfs/dbraw/zinc/43/32/70/595433270.db2.gz PMRQNMUWJOXILX-CYBMUJFWSA-N 1 2 334.445 1.282 20 30 EDEDLO CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000845226461 595464514 /nfs/dbraw/zinc/46/45/14/595464514.db2.gz REAYFNOLPXAGBH-GJZGRUSLSA-N 1 2 325.372 1.575 20 30 EDEDLO CC(C)N(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C(=O)OC(C)(C)C ZINC000857620572 595560787 /nfs/dbraw/zinc/56/07/87/595560787.db2.gz TUCIGJXDHSXDIJ-INIZCTEOSA-N 1 2 326.441 1.592 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCCNC(=O)NC2CCCCC2)CC1 ZINC000112920837 595569339 /nfs/dbraw/zinc/56/93/39/595569339.db2.gz FSOWLCSZLAHMJL-UHFFFAOYSA-N 1 2 334.464 1.176 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000112920587 595569347 /nfs/dbraw/zinc/56/93/47/595569347.db2.gz YLAQBKRIIVQVKV-UHFFFAOYSA-N 1 2 342.399 1.586 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860161381 595601394 /nfs/dbraw/zinc/60/13/94/595601394.db2.gz XNUVBDLVEZYVEA-VXGBXAGGSA-N 1 2 331.397 1.346 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860161381 595601398 /nfs/dbraw/zinc/60/13/98/595601398.db2.gz XNUVBDLVEZYVEA-VXGBXAGGSA-N 1 2 331.397 1.346 20 30 EDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000860197122 595609827 /nfs/dbraw/zinc/60/98/27/595609827.db2.gz QOYNQVUQOKUVFC-GFCCVEGCSA-N 1 2 325.409 1.459 20 30 EDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000860197122 595609830 /nfs/dbraw/zinc/60/98/30/595609830.db2.gz QOYNQVUQOKUVFC-GFCCVEGCSA-N 1 2 325.409 1.459 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1CCC(C(=O)NCC#C)CC1 ZINC000853243651 595717828 /nfs/dbraw/zinc/71/78/28/595717828.db2.gz PTURWJXWSZPKMX-UHFFFAOYSA-N 1 2 325.412 1.840 20 30 EDEDLO C#C[C@@H](NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)[C@H]1CCCO1 ZINC000858370923 595777547 /nfs/dbraw/zinc/77/75/47/595777547.db2.gz TZFCBVDOQOUWTF-HUUCEWRRSA-N 1 2 345.447 1.800 20 30 EDEDLO C=CC[N@H+](CN1Cc2ccc(C(=O)OC)cc2C1=O)[C@@H](C)COC ZINC000853533712 595789088 /nfs/dbraw/zinc/78/90/88/595789088.db2.gz AZGDBYHMMAFWCK-ZDUSSCGKSA-N 1 2 332.400 1.909 20 30 EDEDLO C=CC[N@@H+](CN1Cc2ccc(C(=O)OC)cc2C1=O)[C@@H](C)COC ZINC000853533712 595789091 /nfs/dbraw/zinc/78/90/91/595789091.db2.gz AZGDBYHMMAFWCK-ZDUSSCGKSA-N 1 2 332.400 1.909 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000853545026 595794540 /nfs/dbraw/zinc/79/45/40/595794540.db2.gz OREGGUDPNBERNA-IRXDYDNUSA-N 1 2 348.443 1.724 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000853620906 595834826 /nfs/dbraw/zinc/83/48/26/595834826.db2.gz JEKRJHCLQWLGSE-QGZVFWFLSA-N 1 2 328.412 1.533 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000853620906 595834828 /nfs/dbraw/zinc/83/48/28/595834828.db2.gz JEKRJHCLQWLGSE-QGZVFWFLSA-N 1 2 328.412 1.533 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cn2ccc(OCc3ccccc3)n2)CC1 ZINC000853720386 595863294 /nfs/dbraw/zinc/86/32/94/595863294.db2.gz YITHSEZCHMZLTE-UHFFFAOYSA-N 1 2 338.411 1.240 20 30 EDEDLO C=CCOCC(=O)OCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000861021964 595867096 /nfs/dbraw/zinc/86/70/96/595867096.db2.gz OOVJVZJDSGKAAR-UHFFFAOYSA-N 1 2 332.400 1.190 20 30 EDEDLO C#CC1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000858923957 595923922 /nfs/dbraw/zinc/92/39/22/595923922.db2.gz KLXCTLHKHOGJEU-SFHVURJKSA-N 1 2 342.443 1.337 20 30 EDEDLO C#CC1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000858923957 595923925 /nfs/dbraw/zinc/92/39/25/595923925.db2.gz KLXCTLHKHOGJEU-SFHVURJKSA-N 1 2 342.443 1.337 20 30 EDEDLO C#CC[C@H](COC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000859027476 595954662 /nfs/dbraw/zinc/95/46/62/595954662.db2.gz JIXVPSOVHMBCOZ-HZPDHXFCSA-N 1 2 344.390 1.986 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)CC1 ZINC000854038507 595959376 /nfs/dbraw/zinc/95/93/76/595959376.db2.gz AWVOFLDTMZMXGH-GOSISDBHSA-N 1 2 326.444 1.242 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)CC1 ZINC000854038507 595959378 /nfs/dbraw/zinc/95/93/78/595959378.db2.gz AWVOFLDTMZMXGH-GOSISDBHSA-N 1 2 326.444 1.242 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CC(C)(C)[C@H]2c2cccnc2)CC1 ZINC000854038507 595959380 /nfs/dbraw/zinc/95/93/80/595959380.db2.gz AWVOFLDTMZMXGH-GOSISDBHSA-N 1 2 326.444 1.242 20 30 EDEDLO C#C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C1CCOCC1 ZINC000851942432 595978996 /nfs/dbraw/zinc/97/89/96/595978996.db2.gz RCBDZWIUIPPNFW-INIZCTEOSA-N 1 2 339.399 1.495 20 30 EDEDLO C=C(C)CONC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000854218601 596005581 /nfs/dbraw/zinc/00/55/81/596005581.db2.gz ZDEMCYWFRYQZFV-SJORKVTESA-N 1 2 331.416 1.789 20 30 EDEDLO C=C(C)CONC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000854218601 596005583 /nfs/dbraw/zinc/00/55/83/596005583.db2.gz ZDEMCYWFRYQZFV-SJORKVTESA-N 1 2 331.416 1.789 20 30 EDEDLO O=C(C#Cc1cccs1)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856615712 596036909 /nfs/dbraw/zinc/03/69/09/596036909.db2.gz YRXJTXGAPHSPAZ-LSDHHAIUSA-N 1 2 339.420 1.477 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC000852743080 596237188 /nfs/dbraw/zinc/23/71/88/596237188.db2.gz TUVIRCMCWNGLRC-INIZCTEOSA-N 1 2 344.459 1.826 20 30 EDEDLO CC#CCCCC(=O)O[C@@H]1C[C@@H]2C(=O)NCc3ccc[nH+]c3N2C1 ZINC000870521414 596269684 /nfs/dbraw/zinc/26/96/84/596269684.db2.gz KUAGIRSTRWERLJ-HUUCEWRRSA-N 1 2 327.384 1.396 20 30 EDEDLO CCC(C#N)(CC)C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000862252769 596288532 /nfs/dbraw/zinc/28/85/32/596288532.db2.gz GWSVNPDVUMBXGW-LSDHHAIUSA-N 1 2 328.416 1.693 20 30 EDEDLO CC(C)C#CC(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000868939863 596356737 /nfs/dbraw/zinc/35/67/37/596356737.db2.gz BRFQGRGYJKAWRY-UHFFFAOYSA-N 1 2 332.469 1.527 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cc3cc(C)[nH]n3)n2CC(=C)C)CC1 ZINC000871104878 596464899 /nfs/dbraw/zinc/46/48/99/596464899.db2.gz SJHNBFCNXNTKNO-UHFFFAOYSA-N 1 2 339.447 1.232 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(Cc3cc(C)n[nH]3)n2CC(=C)C)CC1 ZINC000871104878 596464902 /nfs/dbraw/zinc/46/49/02/596464902.db2.gz SJHNBFCNXNTKNO-UHFFFAOYSA-N 1 2 339.447 1.232 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)cncc2Br)CC1 ZINC000865084535 596468016 /nfs/dbraw/zinc/46/80/16/596468016.db2.gz DDLSWEOJJONUPJ-UHFFFAOYSA-N 1 2 340.196 1.764 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c1 ZINC000867711673 596509057 /nfs/dbraw/zinc/50/90/57/596509057.db2.gz ONDJUTAOKWQVQM-OAHLLOKOSA-N 1 2 325.409 1.412 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N[C@@H]2CCC[N@H+](CCF)C2)c1 ZINC000867711673 596509059 /nfs/dbraw/zinc/50/90/59/596509059.db2.gz ONDJUTAOKWQVQM-OAHLLOKOSA-N 1 2 325.409 1.412 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000867791328 596551857 /nfs/dbraw/zinc/55/18/57/596551857.db2.gz MKBMASDXTRNTEJ-QGZVFWFLSA-N 1 2 338.473 1.691 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000867791328 596551860 /nfs/dbraw/zinc/55/18/60/596551860.db2.gz MKBMASDXTRNTEJ-QGZVFWFLSA-N 1 2 338.473 1.691 20 30 EDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2ccc(C#N)cn2)CC1 ZINC000871542145 596620790 /nfs/dbraw/zinc/62/07/90/596620790.db2.gz YOOOROYTYXDODP-UHFFFAOYSA-N 1 2 344.415 1.489 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC000119555176 596633036 /nfs/dbraw/zinc/63/30/36/596633036.db2.gz PCOCYSYILOKYBV-UHFFFAOYSA-N 1 2 333.476 1.189 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC000119555176 596633041 /nfs/dbraw/zinc/63/30/41/596633041.db2.gz PCOCYSYILOKYBV-UHFFFAOYSA-N 1 2 333.476 1.189 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)cn1 ZINC000871623451 596654389 /nfs/dbraw/zinc/65/43/89/596654389.db2.gz LLAFQSJULAAHSJ-UHFFFAOYSA-N 1 2 339.403 1.072 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCc2cn(C[C@@H]3CCOC3)nn2)cc1 ZINC000871725473 596678685 /nfs/dbraw/zinc/67/86/85/596678685.db2.gz AQGNDUQLEPNMSM-LBPRGKRZSA-N 1 2 331.376 1.160 20 30 EDEDLO Cn1nccc1CCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000871729167 596679518 /nfs/dbraw/zinc/67/95/18/596679518.db2.gz DDZSIAJFUFHUJN-UHFFFAOYSA-N 1 2 343.431 1.132 20 30 EDEDLO C=C(Cl)C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(=O)OCC ZINC000870030783 596717153 /nfs/dbraw/zinc/71/71/53/596717153.db2.gz XNOCXRWNVWPBBY-GFCCVEGCSA-N 1 2 349.778 1.466 20 30 EDEDLO Cc1cc(C#N)ccc1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870065744 596731942 /nfs/dbraw/zinc/73/19/42/596731942.db2.gz UTFGNTDIDUKRJJ-MRXNPFEDSA-N 1 2 329.400 1.040 20 30 EDEDLO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)CC2 ZINC000866304315 596851752 /nfs/dbraw/zinc/85/17/52/596851752.db2.gz BEWUKSAGCBTZSV-WCQYABFASA-N 1 2 327.388 1.667 20 30 EDEDLO C[N@@H+]1CCN(C(=O)c2coc(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000866473837 596891602 /nfs/dbraw/zinc/89/16/02/596891602.db2.gz IOJIKIJAHTZXTO-CYBMUJFWSA-N 1 2 348.403 1.432 20 30 EDEDLO C[N@H+]1CCN(C(=O)c2coc(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000866473837 596891603 /nfs/dbraw/zinc/89/16/03/596891603.db2.gz IOJIKIJAHTZXTO-CYBMUJFWSA-N 1 2 348.403 1.432 20 30 EDEDLO Cc1nnc(N=NCc2ccc(OCC[NH+]3CCOCC3)cc2)n1C ZINC000872391148 596896897 /nfs/dbraw/zinc/89/68/97/596896897.db2.gz VHCSQWRYGHCHNF-UHFFFAOYSA-N 1 2 344.419 1.281 20 30 EDEDLO C=CCN1CCN(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)C1=O ZINC000872659547 597015784 /nfs/dbraw/zinc/01/57/84/597015784.db2.gz QISJPCJLAWBWEJ-KBPBESRZSA-N 1 2 338.452 1.855 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)C1=O ZINC000872659547 597015789 /nfs/dbraw/zinc/01/57/89/597015789.db2.gz QISJPCJLAWBWEJ-KBPBESRZSA-N 1 2 338.452 1.855 20 30 EDEDLO C#CCN(C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)C1CC1 ZINC000875886267 597023041 /nfs/dbraw/zinc/02/30/41/597023041.db2.gz IMHVTSXIOVWWPM-KRWDZBQOSA-N 1 2 328.416 1.090 20 30 EDEDLO C#CCN(C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)C1CC1 ZINC000875886267 597023042 /nfs/dbraw/zinc/02/30/42/597023042.db2.gz IMHVTSXIOVWWPM-KRWDZBQOSA-N 1 2 328.416 1.090 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000875927008 597037665 /nfs/dbraw/zinc/03/76/65/597037665.db2.gz KXFVKEVFLWPYEN-INIZCTEOSA-N 1 2 349.431 1.162 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cn3nccc3-c3ccncc3)CC2)cn1 ZINC000872793512 597072362 /nfs/dbraw/zinc/07/23/62/597072362.db2.gz ZMQQESZVFDLDSZ-UHFFFAOYSA-N 1 2 345.410 1.991 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C(=O)[C@@H]4CCCCC[C@@H]43)CC2)cn1 ZINC000872793039 597072482 /nfs/dbraw/zinc/07/24/82/597072482.db2.gz IWQSLPVNVKIZIL-MSOLQXFVSA-N 1 2 339.443 1.824 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000874860846 597203083 /nfs/dbraw/zinc/20/30/83/597203083.db2.gz VNSLWZNAZXJLSW-ZOBUZTSGSA-N 1 2 344.459 1.791 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000874860846 597203086 /nfs/dbraw/zinc/20/30/86/597203086.db2.gz VNSLWZNAZXJLSW-ZOBUZTSGSA-N 1 2 344.459 1.791 20 30 EDEDLO C#CC[N@H+](C[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000876624651 597265539 /nfs/dbraw/zinc/26/55/39/597265539.db2.gz JGCZRBAXGAVHII-FUHWJXTLSA-N 1 2 332.469 1.635 20 30 EDEDLO C#CC[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000876624651 597265542 /nfs/dbraw/zinc/26/55/42/597265542.db2.gz JGCZRBAXGAVHII-FUHWJXTLSA-N 1 2 332.469 1.635 20 30 EDEDLO C#CC[N@H+](C[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000876624752 597265926 /nfs/dbraw/zinc/26/59/26/597265926.db2.gz JGCZRBAXGAVHII-SJLPKXTDSA-N 1 2 332.469 1.635 20 30 EDEDLO C#CC[N@@H+](C[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000876624752 597265928 /nfs/dbraw/zinc/26/59/28/597265928.db2.gz JGCZRBAXGAVHII-SJLPKXTDSA-N 1 2 332.469 1.635 20 30 EDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000873362360 597266045 /nfs/dbraw/zinc/26/60/45/597266045.db2.gz AXEHXPXMJGANLQ-PKOBYXMFSA-N 1 2 344.411 1.691 20 30 EDEDLO CC[N@H+]1CCO[C@H](C(=O)OCC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000873362360 597266047 /nfs/dbraw/zinc/26/60/47/597266047.db2.gz AXEHXPXMJGANLQ-PKOBYXMFSA-N 1 2 344.411 1.691 20 30 EDEDLO C#CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(=O)OC ZINC000877583273 597538941 /nfs/dbraw/zinc/53/89/41/597538941.db2.gz NVPWDNATNNDRJQ-AJNGGQMLSA-N 1 2 336.432 1.929 20 30 EDEDLO C#CCOc1ccc(C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc1 ZINC000877814744 597559581 /nfs/dbraw/zinc/55/95/81/597559581.db2.gz FQLXPYLMXVNKSH-HDICACEKSA-N 1 2 333.453 1.955 20 30 EDEDLO C#CCOc1ccc(C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc1 ZINC000877814744 597559582 /nfs/dbraw/zinc/55/95/82/597559582.db2.gz FQLXPYLMXVNKSH-HDICACEKSA-N 1 2 333.453 1.955 20 30 EDEDLO C#CCCCCC[NH+]1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000878199195 597586259 /nfs/dbraw/zinc/58/62/59/597586259.db2.gz YYZHRFWINQCDGP-UHFFFAOYSA-N 1 2 338.477 1.228 20 30 EDEDLO C=CCCn1cc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)nn1 ZINC000883291159 597702152 /nfs/dbraw/zinc/70/21/52/597702152.db2.gz UNJSCLIHFWWBHU-UHFFFAOYSA-N 1 2 341.481 1.194 20 30 EDEDLO Cc1ccc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c(C#N)n1 ZINC000881786031 597723359 /nfs/dbraw/zinc/72/33/59/597723359.db2.gz BAZBFGRFNVZXCP-UHFFFAOYSA-N 1 2 334.387 1.265 20 30 EDEDLO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCC1(F)F ZINC000879367152 597900826 /nfs/dbraw/zinc/90/08/26/597900826.db2.gz DLMXZULKGWUMTB-VXGBXAGGSA-N 1 2 343.374 1.458 20 30 EDEDLO CCOC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)CCC1(F)F ZINC000879367152 597900828 /nfs/dbraw/zinc/90/08/28/597900828.db2.gz DLMXZULKGWUMTB-VXGBXAGGSA-N 1 2 343.374 1.458 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000884050674 597978739 /nfs/dbraw/zinc/97/87/39/597978739.db2.gz IKMAWOCWPXRENX-LBPRGKRZSA-N 1 2 330.306 1.768 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000884062859 597983603 /nfs/dbraw/zinc/98/36/03/597983603.db2.gz DCNCJICDHBRNCJ-KRWDZBQOSA-N 1 2 346.427 1.641 20 30 EDEDLO C#CCC1(O)CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000882527465 597986599 /nfs/dbraw/zinc/98/65/99/597986599.db2.gz BQNBGVFLCXLNLA-UHFFFAOYSA-N 1 2 337.423 1.851 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000884305624 598059943 /nfs/dbraw/zinc/05/99/43/598059943.db2.gz BAJLDWUIGIFMBN-RISCZKNCSA-N 1 2 348.399 1.081 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882837228 598074711 /nfs/dbraw/zinc/07/47/11/598074711.db2.gz BZMNIALTLLZDSC-ZBFHGGJFSA-N 1 2 347.444 1.693 20 30 EDEDLO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060462497 695230852 /nfs/dbraw/zinc/23/08/52/695230852.db2.gz DKMKSGHJVRXOQM-RDTXWAMCSA-N 1 2 332.448 1.909 20 30 EDEDLO C=CCn1cc(C(=O)NC2C[NH+](Cc3cccc4cccnc43)C2)nn1 ZINC001031069967 695459540 /nfs/dbraw/zinc/45/95/40/695459540.db2.gz JJAOTMHDAMQPIH-UHFFFAOYSA-N 1 2 348.410 1.627 20 30 EDEDLO N#Cc1cccnc1N[C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]12 ZINC001060535544 695836648 /nfs/dbraw/zinc/83/66/48/695836648.db2.gz POYDVYRRSIJJNB-OWCLPIDISA-N 1 2 336.399 1.499 20 30 EDEDLO CCn1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)n1 ZINC000993237309 695866740 /nfs/dbraw/zinc/86/67/40/695866740.db2.gz QLQMILFECOBRPV-BBRMVZONSA-N 1 2 340.431 1.886 20 30 EDEDLO CCn1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)n1 ZINC000993237309 695866745 /nfs/dbraw/zinc/86/67/45/695866745.db2.gz QLQMILFECOBRPV-BBRMVZONSA-N 1 2 340.431 1.886 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2ncn(C)n2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000993299513 695921980 /nfs/dbraw/zinc/92/19/80/695921980.db2.gz NPGPPJPXTHUFFB-FZMZJTMJSA-N 1 2 344.444 1.531 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2ncn(C)n2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000993299513 695921983 /nfs/dbraw/zinc/92/19/83/695921983.db2.gz NPGPPJPXTHUFFB-FZMZJTMJSA-N 1 2 344.444 1.531 20 30 EDEDLO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@@H]1C ZINC000993339767 695994371 /nfs/dbraw/zinc/99/43/71/695994371.db2.gz SZORSSNAXJHJQD-GXTWGEPZSA-N 1 2 340.445 1.842 20 30 EDEDLO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@@H]1C ZINC000993339767 695994372 /nfs/dbraw/zinc/99/43/72/695994372.db2.gz SZORSSNAXJHJQD-GXTWGEPZSA-N 1 2 340.445 1.842 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993368919 696016810 /nfs/dbraw/zinc/01/68/10/696016810.db2.gz ICYOIZRABOKPIO-MNEFBYGVSA-N 1 2 344.459 1.792 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2c(C)nnn2CC)[C@H]1C ZINC000993427313 696109252 /nfs/dbraw/zinc/10/92/52/696109252.db2.gz GZBSACVVLGYQCH-OLZOCXBDSA-N 1 2 325.844 1.942 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2c(C)nnn2CC)[C@H]1C ZINC000993427313 696109255 /nfs/dbraw/zinc/10/92/55/696109255.db2.gz GZBSACVVLGYQCH-OLZOCXBDSA-N 1 2 325.844 1.942 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@H+](Cc3cnc(C)cn3)[C@@H]2C)c1 ZINC000993772043 696367662 /nfs/dbraw/zinc/36/76/62/696367662.db2.gz MLAWRXCCXPLWDV-BEFAXECRSA-N 1 2 349.438 1.944 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3cnc(C)cn3)[C@@H]2C)c1 ZINC000993772043 696367663 /nfs/dbraw/zinc/36/76/63/696367663.db2.gz MLAWRXCCXPLWDV-BEFAXECRSA-N 1 2 349.438 1.944 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@H]1C ZINC000993887566 696430007 /nfs/dbraw/zinc/43/00/07/696430007.db2.gz CMMABVSNOMWKSY-HUUCEWRRSA-N 1 2 337.851 1.878 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(C)cc2=O)[C@H]1C ZINC000993887566 696430008 /nfs/dbraw/zinc/43/00/08/696430008.db2.gz CMMABVSNOMWKSY-HUUCEWRRSA-N 1 2 337.851 1.878 20 30 EDEDLO C#CCCCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060714413 697157032 /nfs/dbraw/zinc/15/70/32/697157032.db2.gz HOICXSDGOQTKTK-WKILWMFISA-N 1 2 344.459 1.937 20 30 EDEDLO Cc1[nH]nc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)c1C ZINC001031589517 697288520 /nfs/dbraw/zinc/28/85/20/697288520.db2.gz YQRVLJPMXNYYKH-UHFFFAOYSA-N 1 2 341.390 1.899 20 30 EDEDLO Cc1nn(C)c(Cl)c1C[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031603548 697302983 /nfs/dbraw/zinc/30/29/83/697302983.db2.gz SDJKOJYJDQDHHG-UHFFFAOYSA-N 1 2 346.822 1.444 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)c2ccsc2C#N)C[C@@H]1C(C)(C)C ZINC000919604037 697304225 /nfs/dbraw/zinc/30/42/25/697304225.db2.gz OCIJQWPVEGZNCK-CYBMUJFWSA-N 1 2 327.475 1.971 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)c2ccsc2C#N)C[C@@H]1C(C)(C)C ZINC000919604037 697304226 /nfs/dbraw/zinc/30/42/26/697304226.db2.gz OCIJQWPVEGZNCK-CYBMUJFWSA-N 1 2 327.475 1.971 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cn(C2CCC2)nn1 ZINC001031676439 697489624 /nfs/dbraw/zinc/48/96/24/697489624.db2.gz WNUUDFKEVVKYFL-UHFFFAOYSA-N 1 2 349.438 1.716 20 30 EDEDLO COc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)sn1 ZINC001031678347 697492976 /nfs/dbraw/zinc/49/29/76/697492976.db2.gz IKYSHNNPYJDOBE-UHFFFAOYSA-N 1 2 348.453 1.947 20 30 EDEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnoc3C)C2)nn1 ZINC001015821357 697662499 /nfs/dbraw/zinc/66/24/99/697662499.db2.gz UUBPTWKWDAOADJ-AWEZNQCLSA-N 1 2 330.392 1.155 20 30 EDEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnoc3C)C2)nn1 ZINC001015821357 697662503 /nfs/dbraw/zinc/66/25/03/697662503.db2.gz UUBPTWKWDAOADJ-AWEZNQCLSA-N 1 2 330.392 1.155 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000943380856 698175607 /nfs/dbraw/zinc/17/56/07/698175607.db2.gz GTAGQSOYWYKKNS-AWEZNQCLSA-N 1 2 332.448 1.672 20 30 EDEDLO C#CCCCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060754677 698193754 /nfs/dbraw/zinc/19/37/54/698193754.db2.gz BIAYMOHTIIUDSZ-QAQDUYKDSA-N 1 2 344.459 1.868 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)CC1 ZINC000945387180 700210360 /nfs/dbraw/zinc/21/03/60/700210360.db2.gz WCYMAPOVYMASMC-NVXWUHKLSA-N 1 2 344.459 1.983 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1 ZINC000068444460 698600291 /nfs/dbraw/zinc/60/02/91/698600291.db2.gz AOIIITNYRNIADG-UHFFFAOYSA-N 1 2 329.429 1.325 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC001031747412 698902233 /nfs/dbraw/zinc/90/22/33/698902233.db2.gz RSPPFNAKXYWBDW-UHFFFAOYSA-N 1 2 335.791 1.432 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cccc4ncccc34)CC2)C1 ZINC000941484637 701554941 /nfs/dbraw/zinc/55/49/41/701554941.db2.gz DZEAEYGJCAUQHT-UHFFFAOYSA-N 1 2 348.450 1.239 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)onc3C3CC3)CC2)C1 ZINC000941489914 701557091 /nfs/dbraw/zinc/55/70/91/701557091.db2.gz PGXXZGCVVJRMLB-UHFFFAOYSA-N 1 2 342.443 1.326 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCCC3(F)F)CC2)C1 ZINC000941501411 701561350 /nfs/dbraw/zinc/56/13/50/701561350.db2.gz CQZPAHYVZBJECA-OAHLLOKOSA-N 1 2 325.403 1.274 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccn(C(C)C)c3C)CC2)C1 ZINC000941529573 701572154 /nfs/dbraw/zinc/57/21/54/701572154.db2.gz RZYJIFFZTAENKH-UHFFFAOYSA-N 1 2 342.487 1.843 20 30 EDEDLO C[C@@H]1C[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)CO1 ZINC001031788105 699235013 /nfs/dbraw/zinc/23/50/13/699235013.db2.gz HBLQCDIJRWYDDU-PBHICJAKSA-N 1 2 330.403 1.650 20 30 EDEDLO Cc1cccn2cc(CC(=O)N[C@@H]3CCN(C(=O)[C@@H](C)C#N)C3)[nH+]c12 ZINC000941565866 701584974 /nfs/dbraw/zinc/58/49/74/701584974.db2.gz FETUGLKLSRJLEF-UONOGXRCSA-N 1 2 339.399 1.062 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CO[C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000941590642 701585737 /nfs/dbraw/zinc/58/57/37/701585737.db2.gz SUZDUSLGRXHEAX-IEBWSBKVSA-N 1 2 347.503 1.433 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)CC2)C1 ZINC000941582352 701589337 /nfs/dbraw/zinc/58/93/37/701589337.db2.gz NBVFUSCGLVUKAL-BWTSREIZSA-N 1 2 329.488 1.664 20 30 EDEDLO CCc1c(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)cnn1C ZINC001031809352 699471274 /nfs/dbraw/zinc/47/12/74/699471274.db2.gz HHZAYAFCBCKSAE-UHFFFAOYSA-N 1 2 336.439 1.696 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4ccn(C)c4c3)CC2)C1 ZINC000941630528 701600081 /nfs/dbraw/zinc/60/00/81/701600081.db2.gz RGITWDZVNPPPBJ-UHFFFAOYSA-N 1 2 336.439 1.254 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C3(CC)CCOCC3)CC2)C1 ZINC000941620682 701604050 /nfs/dbraw/zinc/60/40/50/701604050.db2.gz KCJWGRVCSLSQPP-UHFFFAOYSA-N 1 2 333.476 1.045 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3ccccc3)CC2)C1 ZINC000941675289 701614931 /nfs/dbraw/zinc/61/49/31/701614931.db2.gz XZZRMGAVEQOGDL-GOSISDBHSA-N 1 2 339.483 1.717 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)C[C@@H]3CCCO3)CC2)C1 ZINC000941681956 701626559 /nfs/dbraw/zinc/62/65/59/701626559.db2.gz ZXGOYXGCWVCZFQ-AEFFLSMTSA-N 1 2 333.476 1.043 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3ccccc3C)CC2)C1 ZINC000941686134 701631662 /nfs/dbraw/zinc/63/16/62/701631662.db2.gz CXDJVGWGAOKJMA-UHFFFAOYSA-N 1 2 339.483 1.734 20 30 EDEDLO Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)n1 ZINC000940690338 700832295 /nfs/dbraw/zinc/83/22/95/700832295.db2.gz YIAZLXPTYMSOGI-CQSZACIVSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1noc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C(C)(C)C2)n1 ZINC000940690338 700832296 /nfs/dbraw/zinc/83/22/96/700832296.db2.gz YIAZLXPTYMSOGI-CQSZACIVSA-N 1 2 342.403 1.608 20 30 EDEDLO C=CCn1cccc1C(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000941085218 701127220 /nfs/dbraw/zinc/12/72/20/701127220.db2.gz RFQXISCENLPVQM-CQSZACIVSA-N 1 2 341.415 1.361 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2nonc2C)[C@H](C)C1 ZINC000945944843 701303707 /nfs/dbraw/zinc/30/37/07/701303707.db2.gz VKTHYRIIQBPQJD-LDYMZIIASA-N 1 2 343.225 1.727 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2nonc2C)[C@H](C)C1 ZINC000945944843 701303708 /nfs/dbraw/zinc/30/37/08/701303708.db2.gz VKTHYRIIQBPQJD-LDYMZIIASA-N 1 2 343.225 1.727 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(C(C)(C)C)nc3C)CC2)C1 ZINC000941404986 701519291 /nfs/dbraw/zinc/51/92/91/701519291.db2.gz XHPSHHPRLOGNRR-UHFFFAOYSA-N 1 2 343.475 1.022 20 30 EDEDLO C=C1CC(C)(C(=O)N2CCCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000941801041 701791656 /nfs/dbraw/zinc/79/16/56/701791656.db2.gz QYJSIOQKOQOASX-UHFFFAOYSA-N 1 2 330.432 1.678 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944045908 702002056 /nfs/dbraw/zinc/00/20/56/702002056.db2.gz GJVOKPZLXGZYQK-RISCZKNCSA-N 1 2 344.444 1.307 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944045908 702002063 /nfs/dbraw/zinc/00/20/63/702002063.db2.gz GJVOKPZLXGZYQK-RISCZKNCSA-N 1 2 344.444 1.307 20 30 EDEDLO CCn1ncnc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC000941968633 702230347 /nfs/dbraw/zinc/23/03/47/702230347.db2.gz YJCYGOLTGRCIAZ-GXTWGEPZSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncnc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC000941968633 702230352 /nfs/dbraw/zinc/23/03/52/702230352.db2.gz YJCYGOLTGRCIAZ-GXTWGEPZSA-N 1 2 341.419 1.138 20 30 EDEDLO CN(C)c1ncccc1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001032185089 702231351 /nfs/dbraw/zinc/23/13/51/702231351.db2.gz WFYFSYHSPUFWOJ-UHFFFAOYSA-N 1 2 348.450 1.861 20 30 EDEDLO CCn1cc(C[N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)nn1 ZINC000941963115 702249753 /nfs/dbraw/zinc/24/97/53/702249753.db2.gz JPRYTQFOPZWARI-BLLLJJGKSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1cc(C[N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)nn1 ZINC000941963115 702249756 /nfs/dbraw/zinc/24/97/56/702249756.db2.gz JPRYTQFOPZWARI-BLLLJJGKSA-N 1 2 341.419 1.138 20 30 EDEDLO CCc1noc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)n1 ZINC000941963881 702252444 /nfs/dbraw/zinc/25/24/44/702252444.db2.gz NCGKTWZNJSLKLB-FZMZJTMJSA-N 1 2 342.403 1.472 20 30 EDEDLO CCc1noc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)n1 ZINC000941963881 702252447 /nfs/dbraw/zinc/25/24/47/702252447.db2.gz NCGKTWZNJSLKLB-FZMZJTMJSA-N 1 2 342.403 1.472 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3coc(C)n3)C[C@H]2C)nc1 ZINC000944191673 702482548 /nfs/dbraw/zinc/48/25/48/702482548.db2.gz DCYYPYYZGHRWAI-DYVFJYSZSA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3coc(C)n3)C[C@H]2C)nc1 ZINC000944191673 702482551 /nfs/dbraw/zinc/48/25/51/702482551.db2.gz DCYYPYYZGHRWAI-DYVFJYSZSA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)C[C@H]2C)nc1 ZINC000944192427 702484197 /nfs/dbraw/zinc/48/41/97/702484197.db2.gz LPBPOKUIVRKTHL-GDBMZVCRSA-N 1 2 335.411 1.493 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)C[C@H]2C)nc1 ZINC000944192427 702484200 /nfs/dbraw/zinc/48/42/00/702484200.db2.gz LPBPOKUIVRKTHL-GDBMZVCRSA-N 1 2 335.411 1.493 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)NC[C@H]3CCCN3C(=O)[C@H](C)C#N)ccn12 ZINC000944249334 702593735 /nfs/dbraw/zinc/59/37/35/702593735.db2.gz MZHRAWRSHGWFCT-IUODEOHRSA-N 1 2 339.399 1.523 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1NC(=O)c1cn[nH]n1 ZINC000942217200 702720217 /nfs/dbraw/zinc/72/02/17/702720217.db2.gz YJBDORVCIYVYID-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000942217200 702720218 /nfs/dbraw/zinc/72/02/18/702720218.db2.gz YJBDORVCIYVYID-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1NC(=O)c1cnn[nH]1 ZINC000942217200 702720219 /nfs/dbraw/zinc/72/02/19/702720219.db2.gz YJBDORVCIYVYID-IAQYHMDHSA-N 1 2 342.378 1.456 20 30 EDEDLO C=C[C@@H](C(=O)N1CC(NC(=O)Cc2c[nH+]cn2C)C1)c1ccccc1 ZINC000996451051 702796553 /nfs/dbraw/zinc/79/65/53/702796553.db2.gz VRKPXNRQGPJNCF-QGZVFWFLSA-N 1 2 338.411 1.259 20 30 EDEDLO C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001060769511 703092568 /nfs/dbraw/zinc/09/25/68/703092568.db2.gz NKAIKTVCELFCEO-WKILWMFISA-N 1 2 344.459 1.855 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(N(C)C)no3)C[C@H]2C)C1 ZINC000942602218 703118941 /nfs/dbraw/zinc/11/89/41/703118941.db2.gz FTDDCWIAMSHJEE-ZIAGYGMSSA-N 1 2 347.463 1.819 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nc(N(C)C)no3)C[C@H]2C)C1 ZINC000942602218 703118942 /nfs/dbraw/zinc/11/89/42/703118942.db2.gz FTDDCWIAMSHJEE-ZIAGYGMSSA-N 1 2 347.463 1.819 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001032040908 703159725 /nfs/dbraw/zinc/15/97/25/703159725.db2.gz ZSVMTQOXLBKCPM-IRXDYDNUSA-N 1 2 332.448 1.339 20 30 EDEDLO Cc1cc(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)s2)[nH]n1 ZINC001032348665 703174155 /nfs/dbraw/zinc/17/41/55/703174155.db2.gz ADTJLXJNSFECNA-KBPBESRZSA-N 1 2 341.440 1.679 20 30 EDEDLO Cc1cc(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)s2)[nH]n1 ZINC001032348665 703174156 /nfs/dbraw/zinc/17/41/56/703174156.db2.gz ADTJLXJNSFECNA-KBPBESRZSA-N 1 2 341.440 1.679 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCCO2)cc1 ZINC001032355956 703207023 /nfs/dbraw/zinc/20/70/23/703207023.db2.gz PRVGIBIZILFHAW-BZSNNMDCSA-N 1 2 325.412 1.912 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCCO2)cc1 ZINC001032355956 703207024 /nfs/dbraw/zinc/20/70/24/703207024.db2.gz PRVGIBIZILFHAW-BZSNNMDCSA-N 1 2 325.412 1.912 20 30 EDEDLO CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C#N)[nH]2)o1 ZINC001032361849 703231573 /nfs/dbraw/zinc/23/15/73/703231573.db2.gz FMPRGAHAUPLGGH-KBPBESRZSA-N 1 2 339.399 1.844 20 30 EDEDLO CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C#N)[nH]2)o1 ZINC001032361849 703231574 /nfs/dbraw/zinc/23/15/74/703231574.db2.gz FMPRGAHAUPLGGH-KBPBESRZSA-N 1 2 339.399 1.844 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)cc1 ZINC000997334582 703562696 /nfs/dbraw/zinc/56/26/96/703562696.db2.gz LUEWAAIPKHHQSU-AWEZNQCLSA-N 1 2 336.395 1.456 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)C(=O)N(C)C ZINC001032422785 703582022 /nfs/dbraw/zinc/58/20/22/703582022.db2.gz LNFGITYAHVDMGV-WXHSDQCUSA-N 1 2 327.856 1.527 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)C(=O)N(C)C ZINC001032422785 703582023 /nfs/dbraw/zinc/58/20/23/703582023.db2.gz LNFGITYAHVDMGV-WXHSDQCUSA-N 1 2 327.856 1.527 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864677 703776825 /nfs/dbraw/zinc/77/68/25/703776825.db2.gz YQBUKLRYIXKSEU-HBUWYVDXSA-N 1 2 348.447 1.071 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC001032506098 703834016 /nfs/dbraw/zinc/83/40/16/703834016.db2.gz YQQBTAMTDSCHBH-YQQAZPJKSA-N 1 2 330.815 1.952 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC001032506098 703834018 /nfs/dbraw/zinc/83/40/18/703834018.db2.gz YQQBTAMTDSCHBH-YQQAZPJKSA-N 1 2 330.815 1.952 20 30 EDEDLO N#Cc1cnc(N2CCC[C@H]2CNC(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001061478209 704268911 /nfs/dbraw/zinc/26/89/11/704268911.db2.gz RRFBGYXDAMIPNU-AWEZNQCLSA-N 1 2 347.382 1.623 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3n[nH]nc3n2)CC1 ZINC001004455060 704448637 /nfs/dbraw/zinc/44/86/37/704448637.db2.gz CKJIHXOILJSODP-HNNXBMFYSA-N 1 2 339.403 1.193 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccc3n[nH]nc3n2)CC1 ZINC001004455060 704448638 /nfs/dbraw/zinc/44/86/38/704448638.db2.gz CKJIHXOILJSODP-HNNXBMFYSA-N 1 2 339.403 1.193 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000945040682 704976168 /nfs/dbraw/zinc/97/61/68/704976168.db2.gz KJPFBGGSOLFVRV-GOSISDBHSA-N 1 2 344.459 1.936 20 30 EDEDLO C[C@H]([NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C)c1csnn1 ZINC000995689141 705528598 /nfs/dbraw/zinc/52/85/98/705528598.db2.gz NIGWZJWEUSAWIO-HZMBPMFUSA-N 1 2 344.444 1.939 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2noc(-c3ccccc3)n2)C1 ZINC000998745735 706179770 /nfs/dbraw/zinc/17/97/70/706179770.db2.gz JIZGYMRMKVGXRW-ZFWWWQNUSA-N 1 2 339.399 1.977 20 30 EDEDLO CCc1noc([C@H](C)[NH2+][C@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC000998933509 706343231 /nfs/dbraw/zinc/34/32/31/706343231.db2.gz URFNANVGIDBADM-AAEUAGOBSA-N 1 2 342.403 1.787 20 30 EDEDLO C=C1CCC(C(=O)NC2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)CC1 ZINC000999109050 706536665 /nfs/dbraw/zinc/53/66/65/706536665.db2.gz ZNWKLZSMVPOGDF-OAHLLOKOSA-N 1 2 342.443 1.519 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](C)[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001005057947 707235523 /nfs/dbraw/zinc/23/55/23/707235523.db2.gz SOXJNYQVZUZXBV-HOCLYGCPSA-N 1 2 344.459 1.672 20 30 EDEDLO C[C@@H]([NH2+]Cc1cnsn1)[C@H]1CCCCN1C(=O)c1c[nH]c(C#N)c1 ZINC001004811673 707329052 /nfs/dbraw/zinc/32/90/52/707329052.db2.gz XDPIWVNHNNEQRM-IAQYHMDHSA-N 1 2 344.444 1.911 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033222818 707807152 /nfs/dbraw/zinc/80/71/52/707807152.db2.gz SGCYRJRCGWVOLC-CYBMUJFWSA-N 1 2 328.351 1.162 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033222818 707807154 /nfs/dbraw/zinc/80/71/54/707807154.db2.gz SGCYRJRCGWVOLC-CYBMUJFWSA-N 1 2 328.351 1.162 20 30 EDEDLO CN(C(=O)c1cncn1C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033236311 707929001 /nfs/dbraw/zinc/92/90/01/707929001.db2.gz DICQDSHIPLNMEB-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1cncn1C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033236311 707929005 /nfs/dbraw/zinc/92/90/05/707929005.db2.gz DICQDSHIPLNMEB-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ncc(C)s3)C2)nn1 ZINC001033484714 707952176 /nfs/dbraw/zinc/95/21/76/707952176.db2.gz SQXXGUUPFCATSL-CYBMUJFWSA-N 1 2 346.460 1.576 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ncc(C)s3)C2)nn1 ZINC001033484714 707952177 /nfs/dbraw/zinc/95/21/77/707952177.db2.gz SQXXGUUPFCATSL-CYBMUJFWSA-N 1 2 346.460 1.576 20 30 EDEDLO C=CCCC(=O)N1CC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001060940298 707996993 /nfs/dbraw/zinc/99/69/93/707996993.db2.gz YVDFVWQMLBELCD-UHFFFAOYSA-N 1 2 344.459 1.770 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032809736 708106180 /nfs/dbraw/zinc/10/61/80/708106180.db2.gz GGOQUHCWYADWCD-GJZGRUSLSA-N 1 2 325.372 1.771 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001032809736 708106183 /nfs/dbraw/zinc/10/61/83/708106183.db2.gz GGOQUHCWYADWCD-GJZGRUSLSA-N 1 2 325.372 1.771 20 30 EDEDLO C[C@@H](CC(=O)N1CC[C@@H](CNc2ccncc2C#N)C1)n1cc[nH+]c1 ZINC001061001698 708139367 /nfs/dbraw/zinc/13/93/67/708139367.db2.gz SXODGKZDAREXHC-GJZGRUSLSA-N 1 2 338.415 1.483 20 30 EDEDLO CC(C)C#CC(=O)N1CC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001061003741 708145864 /nfs/dbraw/zinc/14/58/64/708145864.db2.gz SISYMZYYXXFZNV-UHFFFAOYSA-N 1 2 342.443 1.453 20 30 EDEDLO CC(C)C#CC(=O)N1CC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001061003741 708145868 /nfs/dbraw/zinc/14/58/68/708145868.db2.gz SISYMZYYXXFZNV-UHFFFAOYSA-N 1 2 342.443 1.453 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001033563602 708239553 /nfs/dbraw/zinc/23/95/53/708239553.db2.gz YFHAMMUWAHJXOF-GOEBONIOSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCN(C(C)=O)C2)C1 ZINC001033563602 708239555 /nfs/dbraw/zinc/23/95/55/708239555.db2.gz YFHAMMUWAHJXOF-GOEBONIOSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Br)CN1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618039 708346068 /nfs/dbraw/zinc/34/60/68/708346068.db2.gz FDLAFIDYGJNEIO-LBPRGKRZSA-N 1 2 341.253 1.702 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C(=O)NC)c2)C1 ZINC001033667771 708455468 /nfs/dbraw/zinc/45/54/68/708455468.db2.gz BSGTZNOFQKUCLY-HNNXBMFYSA-N 1 2 335.835 1.945 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C(=O)NC)c2)C1 ZINC001033667771 708455469 /nfs/dbraw/zinc/45/54/69/708455469.db2.gz BSGTZNOFQKUCLY-HNNXBMFYSA-N 1 2 335.835 1.945 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033712019 708556570 /nfs/dbraw/zinc/55/65/70/708556570.db2.gz WVQGCYIHCFEZBI-CQSZACIVSA-N 1 2 343.362 1.735 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033712019 708556572 /nfs/dbraw/zinc/55/65/72/708556572.db2.gz WVQGCYIHCFEZBI-CQSZACIVSA-N 1 2 343.362 1.735 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001033800969 708721426 /nfs/dbraw/zinc/72/14/26/708721426.db2.gz CSTHAUUWZJUJGW-BBRMVZONSA-N 1 2 338.415 1.974 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001033800969 708721428 /nfs/dbraw/zinc/72/14/28/708721428.db2.gz CSTHAUUWZJUJGW-BBRMVZONSA-N 1 2 338.415 1.974 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033801073 708793559 /nfs/dbraw/zinc/79/35/59/708793559.db2.gz HBSNDYVMANFDKT-CQSZACIVSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033801073 708793562 /nfs/dbraw/zinc/79/35/62/708793562.db2.gz HBSNDYVMANFDKT-CQSZACIVSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001033801269 708794005 /nfs/dbraw/zinc/79/40/05/708794005.db2.gz NNUMZGWYFPLBHH-AWEZNQCLSA-N 1 2 341.419 1.234 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001033801269 708794009 /nfs/dbraw/zinc/79/40/09/708794009.db2.gz NNUMZGWYFPLBHH-AWEZNQCLSA-N 1 2 341.419 1.234 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001033802629 708797036 /nfs/dbraw/zinc/79/70/36/708797036.db2.gz YTFKUDNMONTACU-XHDPSFHLSA-N 1 2 342.403 1.875 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@@H]1CC[N@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001033802629 708797037 /nfs/dbraw/zinc/79/70/37/708797037.db2.gz YTFKUDNMONTACU-XHDPSFHLSA-N 1 2 342.403 1.875 20 30 EDEDLO N#Cc1cnc(N[C@@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c(F)c1 ZINC001061094039 709012961 /nfs/dbraw/zinc/01/29/61/709012961.db2.gz CKZZWQURZJJGOY-ZIAGYGMSSA-N 1 2 342.378 1.828 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033953976 709135110 /nfs/dbraw/zinc/13/51/10/709135110.db2.gz KACNPNDMXRESAT-XHSDSOJGSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033953976 709135112 /nfs/dbraw/zinc/13/51/12/709135112.db2.gz KACNPNDMXRESAT-XHSDSOJGSA-N 1 2 333.432 1.997 20 30 EDEDLO N#Cc1cncc(N[C@H]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001061107678 709136170 /nfs/dbraw/zinc/13/61/70/709136170.db2.gz NUTPOHLGHQVQRV-RYUDHWBXSA-N 1 2 325.376 1.153 20 30 EDEDLO Cc1cc(C#N)nc(N[C@@H]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001061137049 709348071 /nfs/dbraw/zinc/34/80/71/709348071.db2.gz RCXRDQBFGYNCMD-CHWSQXEVSA-N 1 2 339.403 1.462 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H](NC(=O)c3cncs3)C2)C1=O ZINC001034121805 709385378 /nfs/dbraw/zinc/38/53/78/709385378.db2.gz FOHJYMQKORFIBS-UONOGXRCSA-N 1 2 348.472 1.514 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H](NC(=O)c3cncs3)C2)C1=O ZINC001034121805 709385381 /nfs/dbraw/zinc/38/53/81/709385381.db2.gz FOHJYMQKORFIBS-UONOGXRCSA-N 1 2 348.472 1.514 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cncs2)CC1 ZINC001005519095 709434408 /nfs/dbraw/zinc/43/44/08/709434408.db2.gz SUJCFEJQULDAHB-KRWDZBQOSA-N 1 2 346.500 1.664 20 30 EDEDLO Cn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034166187 709440216 /nfs/dbraw/zinc/44/02/16/709440216.db2.gz TWAPEWKHWGQPIU-AWEZNQCLSA-N 1 2 326.404 1.404 20 30 EDEDLO Cn1ccc(C[N@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034166187 709440217 /nfs/dbraw/zinc/44/02/17/709440217.db2.gz TWAPEWKHWGQPIU-AWEZNQCLSA-N 1 2 326.404 1.404 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001061735559 709579433 /nfs/dbraw/zinc/57/94/33/709579433.db2.gz SRGQEPBSTXQYKH-HOTGVXAUSA-N 1 2 348.447 1.219 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2c(C)nnn2CC)C1 ZINC001034242713 709630324 /nfs/dbraw/zinc/63/03/24/709630324.db2.gz DXAONPVVNOSLBF-ZDUSSCGKSA-N 1 2 325.844 1.943 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2c(C)nnn2CC)C1 ZINC001034242713 709630325 /nfs/dbraw/zinc/63/03/25/709630325.db2.gz DXAONPVVNOSLBF-ZDUSSCGKSA-N 1 2 325.844 1.943 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cn(C)nc2COC)C1 ZINC001034281941 709700164 /nfs/dbraw/zinc/70/01/64/709700164.db2.gz KZSLVLZZJIQQDH-ZDUSSCGKSA-N 1 2 340.855 1.903 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cn(C)nc2COC)C1 ZINC001034281941 709700166 /nfs/dbraw/zinc/70/01/66/709700166.db2.gz KZSLVLZZJIQQDH-ZDUSSCGKSA-N 1 2 340.855 1.903 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001034339630 709802163 /nfs/dbraw/zinc/80/21/63/709802163.db2.gz JRRLVFLJYHGRDO-VXGBXAGGSA-N 1 2 344.253 1.002 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001034339630 709802169 /nfs/dbraw/zinc/80/21/69/709802169.db2.gz JRRLVFLJYHGRDO-VXGBXAGGSA-N 1 2 344.253 1.002 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001003029420 709835314 /nfs/dbraw/zinc/83/53/14/709835314.db2.gz AKRROJXRVQTLJR-CQSZACIVSA-N 1 2 342.447 1.758 20 30 EDEDLO C=CCn1cccc1C(=O)NC1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001003030981 709838734 /nfs/dbraw/zinc/83/87/34/709838734.db2.gz YJQRKUIJQMGXCX-UHFFFAOYSA-N 1 2 342.447 1.680 20 30 EDEDLO C=C[C@H](CC)CC(=O)N1CCOC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001061744860 709879054 /nfs/dbraw/zinc/87/90/54/709879054.db2.gz PLSAXSFBEMHJLL-HUUCEWRRSA-N 1 2 348.447 1.207 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCOC2)C1 ZINC001032953959 710936191 /nfs/dbraw/zinc/93/61/91/710936191.db2.gz SEWSFTOPXSUIBW-CHWSQXEVSA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCOC2)C1 ZINC001032953959 710936196 /nfs/dbraw/zinc/93/61/96/710936196.db2.gz SEWSFTOPXSUIBW-CHWSQXEVSA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccon2)C1 ZINC001032958931 710981939 /nfs/dbraw/zinc/98/19/39/710981939.db2.gz CGXODFAQRPVNNB-GFCCVEGCSA-N 1 2 328.210 1.658 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccon2)C1 ZINC001032958931 710981943 /nfs/dbraw/zinc/98/19/43/710981943.db2.gz CGXODFAQRPVNNB-GFCCVEGCSA-N 1 2 328.210 1.658 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001032980833 711108221 /nfs/dbraw/zinc/10/82/21/711108221.db2.gz KDOISFOQGJKTGV-ZDUSSCGKSA-N 1 2 329.429 1.618 20 30 EDEDLO CN(C(=O)Cc1ccn[nH]1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001032980833 711108223 /nfs/dbraw/zinc/10/82/23/711108223.db2.gz KDOISFOQGJKTGV-ZDUSSCGKSA-N 1 2 329.429 1.618 20 30 EDEDLO CC(C)c1noc(C[NH2+]C[C@H]2CCCN2C(=O)c2cc(C#N)c[nH]2)n1 ZINC001034895383 711317610 /nfs/dbraw/zinc/31/76/10/711317610.db2.gz NJYNPRJSUUGVCC-CYBMUJFWSA-N 1 2 342.403 1.787 20 30 EDEDLO Cc1nnsc1C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001033022620 711375766 /nfs/dbraw/zinc/37/57/66/711375766.db2.gz IAYCMZIQOSNMQW-ZDUSSCGKSA-N 1 2 330.417 1.393 20 30 EDEDLO Cc1nnsc1C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001033022620 711375768 /nfs/dbraw/zinc/37/57/68/711375768.db2.gz IAYCMZIQOSNMQW-ZDUSSCGKSA-N 1 2 330.417 1.393 20 30 EDEDLO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)on1 ZINC001033027572 711442445 /nfs/dbraw/zinc/44/24/45/711442445.db2.gz ZIXPWEIUDRHYOX-HNNXBMFYSA-N 1 2 340.383 1.901 20 30 EDEDLO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)on1 ZINC001033027572 711442447 /nfs/dbraw/zinc/44/24/47/711442447.db2.gz ZIXPWEIUDRHYOX-HNNXBMFYSA-N 1 2 340.383 1.901 20 30 EDEDLO C=C1CCC(C(=O)NCC2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001004120470 711485192 /nfs/dbraw/zinc/48/51/92/711485192.db2.gz XDDMFHKBOWCIPJ-CQSZACIVSA-N 1 2 344.459 1.909 20 30 EDEDLO C=C1CCC(C(=O)NCC2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001004120470 711485193 /nfs/dbraw/zinc/48/51/93/711485193.db2.gz XDDMFHKBOWCIPJ-CQSZACIVSA-N 1 2 344.459 1.909 20 30 EDEDLO Cn1ncc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c1Cl ZINC001004474980 711851701 /nfs/dbraw/zinc/85/17/01/711851701.db2.gz QHADONVCGZFTMV-CQSZACIVSA-N 1 2 335.839 1.914 20 30 EDEDLO Cn1ncc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c1Cl ZINC001004474980 711851703 /nfs/dbraw/zinc/85/17/03/711851703.db2.gz QHADONVCGZFTMV-CQSZACIVSA-N 1 2 335.839 1.914 20 30 EDEDLO Cn1ccnc1CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004497446 711885546 /nfs/dbraw/zinc/88/55/46/711885546.db2.gz JCSKQOGDKAJPRR-MRXNPFEDSA-N 1 2 329.448 1.579 20 30 EDEDLO Cn1ccnc1CCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004497446 711885548 /nfs/dbraw/zinc/88/55/48/711885548.db2.gz JCSKQOGDKAJPRR-MRXNPFEDSA-N 1 2 329.448 1.579 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC001004601905 712023991 /nfs/dbraw/zinc/02/39/91/712023991.db2.gz RNKCLTBSVKUTKK-IAGOWNOFSA-N 1 2 346.475 1.662 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CCCCC(=O)N2)CC1 ZINC001004601905 712023992 /nfs/dbraw/zinc/02/39/92/712023992.db2.gz RNKCLTBSVKUTKK-IAGOWNOFSA-N 1 2 346.475 1.662 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC001004609358 712062704 /nfs/dbraw/zinc/06/27/04/712062704.db2.gz GJHDHKQJRODDSA-QGZVFWFLSA-N 1 2 346.475 1.616 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC001004609358 712062706 /nfs/dbraw/zinc/06/27/06/712062706.db2.gz GJHDHKQJRODDSA-QGZVFWFLSA-N 1 2 346.475 1.616 20 30 EDEDLO Cc1ccc2c([n-]cc(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)c2=O)[nH+]1 ZINC000329411161 539434325 /nfs/dbraw/zinc/43/43/25/539434325.db2.gz BTCVNVJVDFGYHU-LBPRGKRZSA-N 1 2 329.404 1.194 20 30 EDEDLO Cc1ccc2c([n-]cc(C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2=O)[nH+]1 ZINC000329411161 539434330 /nfs/dbraw/zinc/43/43/30/539434330.db2.gz BTCVNVJVDFGYHU-LBPRGKRZSA-N 1 2 329.404 1.194 20 30 EDEDLO O=C(N[C@@H]1CC[S@@](=O)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000330003692 539487215 /nfs/dbraw/zinc/48/72/15/539487215.db2.gz ZXNKIDWPXGNYIZ-GTJPDFRWSA-N 1 2 327.475 1.301 20 30 EDEDLO CNC(=O)C[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127734261 283320816 /nfs/dbraw/zinc/32/08/16/283320816.db2.gz APWOMVGHYHCECQ-UHFFFAOYSA-N 1 2 326.322 1.445 20 30 EDEDLO COc1ccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000060633910 236918131 /nfs/dbraw/zinc/91/81/31/236918131.db2.gz HIGKIXSYZLYFFN-UHFFFAOYSA-N 1 2 331.416 1.312 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1csc(Br)c1 ZINC000111182182 237112951 /nfs/dbraw/zinc/11/29/51/237112951.db2.gz IQZYLRCYWUTFKN-UHFFFAOYSA-N 1 2 334.239 1.632 20 30 EDEDLO N#CCCN(CCOc1cccc([N+](=O)[O-])c1)CC[NH+]1CCOCC1 ZINC000174830484 237291285 /nfs/dbraw/zinc/29/12/85/237291285.db2.gz XRVLKCZWBSRTOZ-UHFFFAOYSA-N 1 2 348.403 1.521 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nc1 ZINC000565155504 306376413 /nfs/dbraw/zinc/37/64/13/306376413.db2.gz FSDKHMYOGHYLBL-KRWDZBQOSA-N 1 2 348.472 1.780 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nc1 ZINC000565155504 306376414 /nfs/dbraw/zinc/37/64/14/306376414.db2.gz FSDKHMYOGHYLBL-KRWDZBQOSA-N 1 2 348.472 1.780 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000058578073 201143096 /nfs/dbraw/zinc/14/30/96/201143096.db2.gz AMGMBZUGBXCKTD-CQSZACIVSA-N 1 2 334.386 1.611 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000058578073 201143099 /nfs/dbraw/zinc/14/30/99/201143099.db2.gz AMGMBZUGBXCKTD-CQSZACIVSA-N 1 2 334.386 1.611 20 30 EDEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000274737728 201270834 /nfs/dbraw/zinc/27/08/34/201270834.db2.gz DOCVQZAVAIMEBG-UHFFFAOYSA-N 1 2 339.417 1.867 20 30 EDEDLO C=CC[N@H+](CCc1ccco1)Cc1nnnn1CC1CCOCC1 ZINC000278939126 201313028 /nfs/dbraw/zinc/31/30/28/201313028.db2.gz XYBWRRHGXUMEEY-UHFFFAOYSA-N 1 2 331.420 1.923 20 30 EDEDLO C=CC[N@@H+](CCc1ccco1)Cc1nnnn1CC1CCOCC1 ZINC000278939126 201313032 /nfs/dbraw/zinc/31/30/32/201313032.db2.gz XYBWRRHGXUMEEY-UHFFFAOYSA-N 1 2 331.420 1.923 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)C[C@H](O)CN2CCOCC2)c1C ZINC000083244489 201367564 /nfs/dbraw/zinc/36/75/64/201367564.db2.gz PBLPXLYAKIVXKP-KRWDZBQOSA-N 1 2 349.475 1.099 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)C[C@H](O)CN2CCOCC2)c1C ZINC000083244489 201367566 /nfs/dbraw/zinc/36/75/66/201367566.db2.gz PBLPXLYAKIVXKP-KRWDZBQOSA-N 1 2 349.475 1.099 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)C[C@@H](O)CN2CCOCC2)c1C ZINC000083244490 201367694 /nfs/dbraw/zinc/36/76/94/201367694.db2.gz PBLPXLYAKIVXKP-QGZVFWFLSA-N 1 2 349.475 1.099 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c1C ZINC000083244490 201367697 /nfs/dbraw/zinc/36/76/97/201367697.db2.gz PBLPXLYAKIVXKP-QGZVFWFLSA-N 1 2 349.475 1.099 20 30 EDEDLO CC[N@H+](CCOc1ccc(C#N)cc1OC)[C@H](C)CS(C)(=O)=O ZINC000077312912 203379716 /nfs/dbraw/zinc/37/97/16/203379716.db2.gz MOZPGEFZRDLLJN-CYBMUJFWSA-N 1 2 340.445 1.701 20 30 EDEDLO CC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@H](C)CS(C)(=O)=O ZINC000077312912 203379720 /nfs/dbraw/zinc/37/97/20/203379720.db2.gz MOZPGEFZRDLLJN-CYBMUJFWSA-N 1 2 340.445 1.701 20 30 EDEDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000459469824 299420682 /nfs/dbraw/zinc/42/06/82/299420682.db2.gz SUACWSQGLLENHS-XQQFMLRXSA-N 1 2 335.429 1.699 20 30 EDEDLO C=CCn1c(S[C@@H](C)C(=O)N2CC[NH+](CC)CC2)nnc1C1CC1 ZINC000049583576 214021495 /nfs/dbraw/zinc/02/14/95/214021495.db2.gz RGVIUBXQROXJLH-ZDUSSCGKSA-N 1 2 349.504 1.986 20 30 EDEDLO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000162088572 206383636 /nfs/dbraw/zinc/38/36/36/206383636.db2.gz AAMPMQWIYJWGRI-NSHDSACASA-N 1 2 329.372 1.599 20 30 EDEDLO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000162088572 206383641 /nfs/dbraw/zinc/38/36/41/206383641.db2.gz AAMPMQWIYJWGRI-NSHDSACASA-N 1 2 329.372 1.599 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 ZINC000245929336 249304830 /nfs/dbraw/zinc/30/48/30/249304830.db2.gz ZOGYIXWUFQMZSJ-LSDHHAIUSA-N 1 2 348.472 1.178 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 ZINC000245929336 249304833 /nfs/dbraw/zinc/30/48/33/249304833.db2.gz ZOGYIXWUFQMZSJ-LSDHHAIUSA-N 1 2 348.472 1.178 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)[C@@H]2C1 ZINC000247197813 249314870 /nfs/dbraw/zinc/31/48/70/249314870.db2.gz YMXYWRIVLJOBMU-BRWVUGGUSA-N 1 2 349.475 1.940 20 30 EDEDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)[C@@H]2C1 ZINC000247197813 249314875 /nfs/dbraw/zinc/31/48/75/249314875.db2.gz YMXYWRIVLJOBMU-BRWVUGGUSA-N 1 2 349.475 1.940 20 30 EDEDLO Cc1nc(C(=O)N(C)C)ccc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000330625444 249887038 /nfs/dbraw/zinc/88/70/38/249887038.db2.gz SZNMYGAKOQMBEI-GFCCVEGCSA-N 1 2 334.420 1.117 20 30 EDEDLO Cc1nc(C(=O)N(C)C)ccc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000330625444 249887042 /nfs/dbraw/zinc/88/70/42/249887042.db2.gz SZNMYGAKOQMBEI-GFCCVEGCSA-N 1 2 334.420 1.117 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000343164947 250011461 /nfs/dbraw/zinc/01/14/61/250011461.db2.gz NDMZHKNHODVMJZ-UHFFFAOYSA-N 1 2 330.363 1.662 20 30 EDEDLO COCC1(C#N)CC[NH+]([C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000341972551 250004399 /nfs/dbraw/zinc/00/43/99/250004399.db2.gz FWQHBGDHKMIZRP-AWEZNQCLSA-N 1 2 326.404 1.975 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000345781089 250035832 /nfs/dbraw/zinc/03/58/32/250035832.db2.gz ILYVTPTWVLNTLU-CQSZACIVSA-N 1 2 338.415 1.026 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2cc[nH]c2n1 ZINC000354449703 250090483 /nfs/dbraw/zinc/09/04/83/250090483.db2.gz RIAIOVNHBDBPAI-UHFFFAOYSA-N 1 2 327.388 1.251 20 30 EDEDLO C=C(C)COCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000354922749 250103443 /nfs/dbraw/zinc/10/34/43/250103443.db2.gz QYTYGFGPPBVBJP-MRXNPFEDSA-N 1 2 343.493 1.086 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nccc3ccc(F)cc32)CC1 ZINC000354577562 250095045 /nfs/dbraw/zinc/09/50/45/250095045.db2.gz ZVHQMYQVGBEFPF-UHFFFAOYSA-N 1 2 328.391 1.798 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000359376438 250153074 /nfs/dbraw/zinc/15/30/74/250153074.db2.gz VKRFMUZTFXSACC-AWEZNQCLSA-N 1 2 344.459 1.812 20 30 EDEDLO C#CCOCCC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000371065104 250211211 /nfs/dbraw/zinc/21/12/11/250211211.db2.gz VAMJWJBSGASAPJ-QGZVFWFLSA-N 1 2 327.384 1.674 20 30 EDEDLO COCCO[C@@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000189736352 533173852 /nfs/dbraw/zinc/17/38/52/533173852.db2.gz ABBVGASZTTXBSK-ZIAGYGMSSA-N 1 2 335.429 1.462 20 30 EDEDLO COCCO[C@@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000189736352 533173860 /nfs/dbraw/zinc/17/38/60/533173860.db2.gz ABBVGASZTTXBSK-ZIAGYGMSSA-N 1 2 335.429 1.462 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000459804062 255003685 /nfs/dbraw/zinc/00/36/85/255003685.db2.gz AIEOIDVAIODJMP-UHFFFAOYSA-N 1 2 328.416 1.239 20 30 EDEDLO Cc1ccn2cc(CNS(=O)(=O)c3cnc(C)c(C#N)c3)[nH+]c2c1 ZINC000489100842 255064396 /nfs/dbraw/zinc/06/43/96/255064396.db2.gz JQNFOILKLHREIN-UHFFFAOYSA-N 1 2 341.396 1.696 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)CC1 ZINC000490555471 255091450 /nfs/dbraw/zinc/09/14/50/255091450.db2.gz GDGRSLHVVLZSJA-UHFFFAOYSA-N 1 2 344.440 1.701 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cnc3ccc(F)cc3c2)CC1 ZINC000491046442 255116228 /nfs/dbraw/zinc/11/62/28/255116228.db2.gz QIHVKDJMSVOTHI-UHFFFAOYSA-N 1 2 327.359 1.530 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2OC)CC1 ZINC000491069831 255118251 /nfs/dbraw/zinc/11/82/51/255118251.db2.gz YUSCNDMEZDIVPG-UHFFFAOYSA-N 1 2 329.400 1.095 20 30 EDEDLO C#CC[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000491095675 255120456 /nfs/dbraw/zinc/12/04/56/255120456.db2.gz MJFSPDIZQSQWRZ-HOTGVXAUSA-N 1 2 341.860 1.366 20 30 EDEDLO C#CC[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000491095675 255120457 /nfs/dbraw/zinc/12/04/57/255120457.db2.gz MJFSPDIZQSQWRZ-HOTGVXAUSA-N 1 2 341.860 1.366 20 30 EDEDLO C#CC[NH+]1CCN(Cn2ncc(C(=O)OCC)c2C(F)F)CC1 ZINC000490635005 255096619 /nfs/dbraw/zinc/09/66/19/255096619.db2.gz BUCKRRORYKPHTQ-UHFFFAOYSA-N 1 2 326.347 1.206 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(-c3nccc(C)n3)c2)CC1 ZINC000490779511 255106918 /nfs/dbraw/zinc/10/69/18/255106918.db2.gz XRPLZACPCIYPMH-UHFFFAOYSA-N 1 2 349.438 1.641 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccccc2-n2nccc2C)CC1 ZINC000490933501 255109966 /nfs/dbraw/zinc/10/99/66/255109966.db2.gz DJNMOFQKWWESCN-UHFFFAOYSA-N 1 2 337.427 1.370 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000491671271 255138726 /nfs/dbraw/zinc/13/87/26/255138726.db2.gz NJHMANWJTBMXKC-CQSZACIVSA-N 1 2 345.468 1.768 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000491671271 255138728 /nfs/dbraw/zinc/13/87/28/255138728.db2.gz NJHMANWJTBMXKC-CQSZACIVSA-N 1 2 345.468 1.768 20 30 EDEDLO C#C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)C(C)(C)C ZINC000491774435 255146905 /nfs/dbraw/zinc/14/69/05/255146905.db2.gz CVASQOUAVUJIJO-OAHLLOKOSA-N 1 2 326.400 1.984 20 30 EDEDLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000492571089 255180386 /nfs/dbraw/zinc/18/03/86/255180386.db2.gz BGLJQDCVPAMHDT-UHFFFAOYSA-N 1 2 336.436 1.538 20 30 EDEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000492605702 255182474 /nfs/dbraw/zinc/18/24/74/255182474.db2.gz UDTBPNATHZKVQQ-SREVYHEPSA-N 1 2 336.399 1.532 20 30 EDEDLO C=C[C@H](C)ONC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496241952 255369747 /nfs/dbraw/zinc/36/97/47/255369747.db2.gz CLXONEOBVNEXRM-QWHCGFSZSA-N 1 2 342.440 1.343 20 30 EDEDLO C=C[C@H](C)ONC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496241952 255369748 /nfs/dbraw/zinc/36/97/48/255369748.db2.gz CLXONEOBVNEXRM-QWHCGFSZSA-N 1 2 342.440 1.343 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2sccc2C#N)C1 ZINC000340141593 142279950 /nfs/dbraw/zinc/27/99/50/142279950.db2.gz BNDQFPJVRCOISL-LLVKDONJSA-N 1 2 329.385 1.308 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000347976609 143386498 /nfs/dbraw/zinc/38/64/98/143386498.db2.gz KKXUDMFPBHDXGW-UKRRQHHQSA-N 1 2 341.333 1.562 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000347976609 143386499 /nfs/dbraw/zinc/38/64/99/143386499.db2.gz KKXUDMFPBHDXGW-UKRRQHHQSA-N 1 2 341.333 1.562 20 30 EDEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000369724647 155151561 /nfs/dbraw/zinc/15/15/61/155151561.db2.gz YLVYNNMTCPVYCY-UHFFFAOYSA-N 1 2 337.383 1.830 20 30 EDEDLO Cn1ncc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C#N ZINC000353342028 149371819 /nfs/dbraw/zinc/37/18/19/149371819.db2.gz GECLQAILFLUOSS-VMPITWQZSA-N 1 2 335.411 1.763 20 30 EDEDLO COC(=O)c1coc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000355129137 150129447 /nfs/dbraw/zinc/12/94/47/150129447.db2.gz RFSXYNMGTBFSOO-UHFFFAOYSA-N 1 2 326.356 1.655 20 30 EDEDLO N#Cc1ccnc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1 ZINC000357502671 151049921 /nfs/dbraw/zinc/04/99/21/151049921.db2.gz RWEOWYUMORMUAF-UHFFFAOYSA-N 1 2 335.367 1.049 20 30 EDEDLO N#Cc1ccnc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1 ZINC000357502671 151049922 /nfs/dbraw/zinc/04/99/22/151049922.db2.gz RWEOWYUMORMUAF-UHFFFAOYSA-N 1 2 335.367 1.049 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000361168702 152324872 /nfs/dbraw/zinc/32/48/72/152324872.db2.gz KRVMMNLQRLJBMY-NSHDSACASA-N 1 2 341.346 1.385 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C(=O)OC)C(C)(C)C1 ZINC000370227163 155388361 /nfs/dbraw/zinc/38/83/61/155388361.db2.gz IFTSOCYFYCRTFC-HUUCEWRRSA-N 1 2 330.384 1.903 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C(=O)OC)C(C)(C)C1 ZINC000370227163 155388365 /nfs/dbraw/zinc/38/83/65/155388365.db2.gz IFTSOCYFYCRTFC-HUUCEWRRSA-N 1 2 330.384 1.903 20 30 EDEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ncnn3CCF)CC2)cc1 ZINC000367201760 154039721 /nfs/dbraw/zinc/03/97/21/154039721.db2.gz VGHUHWKMQAKCSB-UHFFFAOYSA-N 1 2 328.395 1.832 20 30 EDEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ncnn3CCF)CC2)cc1 ZINC000367201760 154039722 /nfs/dbraw/zinc/03/97/22/154039722.db2.gz VGHUHWKMQAKCSB-UHFFFAOYSA-N 1 2 328.395 1.832 20 30 EDEDLO CCn1nccc1CC[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000367257599 154056984 /nfs/dbraw/zinc/05/69/84/154056984.db2.gz KBSBJGLPUYTRFK-UHFFFAOYSA-N 1 2 337.427 1.662 20 30 EDEDLO CCn1nccc1CC[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000367257599 154056986 /nfs/dbraw/zinc/05/69/86/154056986.db2.gz KBSBJGLPUYTRFK-UHFFFAOYSA-N 1 2 337.427 1.662 20 30 EDEDLO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cc(F)cc(C#N)c1 ZINC000367592365 154191527 /nfs/dbraw/zinc/19/15/27/154191527.db2.gz CIAIIFMSTKOVBM-QGZVFWFLSA-N 1 2 345.418 1.908 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000372132773 156235943 /nfs/dbraw/zinc/23/59/43/156235943.db2.gz XSBKYVPQXYIOTF-AWEZNQCLSA-N 1 2 330.413 1.919 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000373797328 157008715 /nfs/dbraw/zinc/00/87/15/157008715.db2.gz NSIXUATZYIPZBN-KXBFYZLASA-N 1 2 343.427 1.444 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000373797328 157008718 /nfs/dbraw/zinc/00/87/18/157008718.db2.gz NSIXUATZYIPZBN-KXBFYZLASA-N 1 2 343.427 1.444 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000352261644 162081936 /nfs/dbraw/zinc/08/19/36/162081936.db2.gz XAOPZSWPAXVBQA-CQSZACIVSA-N 1 2 344.434 1.481 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000121451474 287371368 /nfs/dbraw/zinc/37/13/68/287371368.db2.gz MLAYTPGKTYBZBA-UHFFFAOYSA-N 1 2 327.388 1.576 20 30 EDEDLO C=CCN(Cc1c[nH+]c2ccc(C#N)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000092361210 264246762 /nfs/dbraw/zinc/24/67/62/264246762.db2.gz GZIWVQAGOHFZIM-AWEZNQCLSA-N 1 2 330.413 1.381 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000425388576 270012422 /nfs/dbraw/zinc/01/24/22/270012422.db2.gz SIPODXZEOYBHBW-CQSZACIVSA-N 1 2 340.427 1.384 20 30 EDEDLO N#Cc1cc(Cl)cc(OS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000288618608 270010099 /nfs/dbraw/zinc/01/00/99/270010099.db2.gz LZAWTLJGLHAPOP-UHFFFAOYSA-N 1 2 344.820 1.643 20 30 EDEDLO COc1ccc([C@H](CNc2ccc(C#N)nn2)[NH+]2CCOCC2)cc1 ZINC000301834867 270011454 /nfs/dbraw/zinc/01/14/54/270011454.db2.gz KSKAGRJEVGNQPU-KRWDZBQOSA-N 1 2 339.399 1.842 20 30 EDEDLO Cc1nc(N2CCN(c3ccc(C#N)cc3F)CC2)nc(N(C)C)[nH+]1 ZINC000488403970 270014105 /nfs/dbraw/zinc/01/41/05/270014105.db2.gz ZGVAGCHVCODCBC-UHFFFAOYSA-N 1 2 341.394 1.583 20 30 EDEDLO Cc1nc(N(C)C)nc(N2CCN(c3ccc(C#N)cc3F)CC2)[nH+]1 ZINC000488403970 270014106 /nfs/dbraw/zinc/01/41/06/270014106.db2.gz ZGVAGCHVCODCBC-UHFFFAOYSA-N 1 2 341.394 1.583 20 30 EDEDLO Cc1nnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1C ZINC000533497371 270016017 /nfs/dbraw/zinc/01/60/17/270016017.db2.gz VPXZABCKRTXCSZ-UHFFFAOYSA-N 1 2 338.415 1.846 20 30 EDEDLO CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C#N)o2)c[nH+]1 ZINC000286528805 266121510 /nfs/dbraw/zinc/12/15/10/266121510.db2.gz GFGAHOWXFVHFTH-UHFFFAOYSA-N 1 2 334.401 1.871 20 30 EDEDLO CC[N@H+]([C@@H]1CCNC1=O)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000282421313 266140236 /nfs/dbraw/zinc/14/02/36/266140236.db2.gz QUTFAMLVJKMCIK-HZPDHXFCSA-N 1 2 326.400 1.264 20 30 EDEDLO CC[N@@H+]([C@@H]1CCNC1=O)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000282421313 266140238 /nfs/dbraw/zinc/14/02/38/266140238.db2.gz QUTFAMLVJKMCIK-HZPDHXFCSA-N 1 2 326.400 1.264 20 30 EDEDLO C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000280938127 267176515 /nfs/dbraw/zinc/17/65/15/267176515.db2.gz PJMYUDQTAMLSBX-MPGHIAIKSA-N 1 2 340.427 1.466 20 30 EDEDLO CC[C@H]1CN(C(=O)c2cc(C)c(C#N)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000457618513 267230806 /nfs/dbraw/zinc/23/08/06/267230806.db2.gz ODTDLYUBUHLJKF-YOEHRIQHSA-N 1 2 328.416 1.445 20 30 EDEDLO CN(C)c1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)c[nH+]1 ZINC000440064053 267292426 /nfs/dbraw/zinc/29/24/26/267292426.db2.gz RKDJDJNUBMEEER-UHFFFAOYSA-N 1 2 348.403 1.778 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccnn1CC[NH+](C)C ZINC000295277201 267312111 /nfs/dbraw/zinc/31/21/11/267312111.db2.gz ZYHZXZKOHFUANX-UHFFFAOYSA-N 1 2 333.417 1.426 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000448651497 267924385 /nfs/dbraw/zinc/92/43/85/267924385.db2.gz WRRVAEXRHQTWCT-SFHVURJKSA-N 1 2 338.411 1.998 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@](O)(C(F)F)C2)cc1 ZINC000451442018 268251272 /nfs/dbraw/zinc/25/12/72/268251272.db2.gz ZYNZBHCVMKSURO-AWEZNQCLSA-N 1 2 330.356 1.034 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1 ZINC000451442018 268251275 /nfs/dbraw/zinc/25/12/75/268251275.db2.gz ZYNZBHCVMKSURO-AWEZNQCLSA-N 1 2 330.356 1.034 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000407992989 268285021 /nfs/dbraw/zinc/28/50/21/268285021.db2.gz VQIOKSCCWZYNLN-ZBFHGGJFSA-N 1 2 344.440 1.557 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000425199123 268292256 /nfs/dbraw/zinc/29/22/56/268292256.db2.gz GRABEQGRCNRXBF-UHFFFAOYSA-N 1 2 343.387 1.211 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000425267257 268292977 /nfs/dbraw/zinc/29/29/77/268292977.db2.gz LFJLDBXZIJKSGH-UHFFFAOYSA-N 1 2 346.387 1.760 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(CC(F)F)CC1 ZINC000528364184 268301540 /nfs/dbraw/zinc/30/15/40/268301540.db2.gz HSMLABFOSVYPNW-CQSZACIVSA-N 1 2 325.359 1.181 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCCn1cc[nH+]c1 ZINC000155035353 287653933 /nfs/dbraw/zinc/65/39/33/287653933.db2.gz XSOMWAPLMUBXMY-UHFFFAOYSA-N 1 2 341.415 1.541 20 30 EDEDLO COC(=O)[C@H](C(OC)OC)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000373072640 277115455 /nfs/dbraw/zinc/11/54/55/277115455.db2.gz YIUGTBQXCMKEBC-MRXNPFEDSA-N 1 2 347.415 1.231 20 30 EDEDLO COC(=O)[C@H](C(OC)OC)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000373072640 277115456 /nfs/dbraw/zinc/11/54/56/277115456.db2.gz YIUGTBQXCMKEBC-MRXNPFEDSA-N 1 2 347.415 1.231 20 30 EDEDLO CC[C@H]1CN(c2ncc(C#N)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000450388717 281180966 /nfs/dbraw/zinc/18/09/66/281180966.db2.gz IWLIKDHIHFNHNL-DZGCQCFKSA-N 1 2 331.376 1.408 20 30 EDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000113944000 303174823 /nfs/dbraw/zinc/17/48/23/303174823.db2.gz WMHMRRQPZHZSMK-UHFFFAOYSA-N 1 2 325.821 1.680 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@]4(CNC(=O)O4)C3)C2=O)cc1 ZINC000364780391 303194733 /nfs/dbraw/zinc/19/47/33/303194733.db2.gz QDZBMEMVZOWCLD-MAUKXSAKSA-N 1 2 340.383 1.238 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@]4(CNC(=O)O4)C3)C2=O)cc1 ZINC000364780391 303194734 /nfs/dbraw/zinc/19/47/34/303194734.db2.gz QDZBMEMVZOWCLD-MAUKXSAKSA-N 1 2 340.383 1.238 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)C1=O ZINC000342303174 303212018 /nfs/dbraw/zinc/21/20/18/303212018.db2.gz PZICEVVAVNOEES-SUMWQHHRSA-N 1 2 344.440 1.327 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@]3(CNC(=O)C3)C2)C1=O ZINC000342303174 303212022 /nfs/dbraw/zinc/21/20/22/303212022.db2.gz PZICEVVAVNOEES-SUMWQHHRSA-N 1 2 344.440 1.327 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000422085618 447338479 /nfs/dbraw/zinc/33/84/79/447338479.db2.gz DCWXINFRIGKSQV-RDJZCZTQSA-N 1 2 340.427 1.691 20 30 EDEDLO CC(=O)N1CC[NH+](CCNC(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000548646153 306133842 /nfs/dbraw/zinc/13/38/42/306133842.db2.gz GYIANCWSWHJZTM-UHFFFAOYSA-N 1 2 334.807 1.106 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1S(=O)(=O)CCC(C)(C)C#N ZINC000377902156 447388031 /nfs/dbraw/zinc/38/80/31/447388031.db2.gz FHDSXICGJOAGGQ-ZIAGYGMSSA-N 1 2 329.466 1.051 20 30 EDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000449885702 447407518 /nfs/dbraw/zinc/40/75/18/447407518.db2.gz UEELMWATCCRPKX-MDZRGWNJSA-N 1 2 343.427 1.120 20 30 EDEDLO C=CCc1cc(C[N@@H+]2C[C@H](OC)C[C@@H]2C(=O)OC)cc(OC)c1O ZINC000378337903 447419278 /nfs/dbraw/zinc/41/92/78/447419278.db2.gz BQPQWYLJLFZSFL-HUUCEWRRSA-N 1 2 335.400 1.892 20 30 EDEDLO C=CCc1cc(C[N@H+]2C[C@H](OC)C[C@@H]2C(=O)OC)cc(OC)c1O ZINC000378337903 447419282 /nfs/dbraw/zinc/41/92/82/447419282.db2.gz BQPQWYLJLFZSFL-HUUCEWRRSA-N 1 2 335.400 1.892 20 30 EDEDLO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000046052888 441075204 /nfs/dbraw/zinc/07/52/04/441075204.db2.gz BOVNLJBIOGOGPZ-UHFFFAOYSA-N 1 2 328.416 1.231 20 30 EDEDLO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000046052888 441075207 /nfs/dbraw/zinc/07/52/07/441075207.db2.gz BOVNLJBIOGOGPZ-UHFFFAOYSA-N 1 2 328.416 1.231 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc(-c2ccco2)no1 ZINC000081158445 441237202 /nfs/dbraw/zinc/23/72/02/441237202.db2.gz DZGSCLKITDHLLC-UHFFFAOYSA-N 1 2 331.376 1.377 20 30 EDEDLO N#Cc1ccccc1OCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080944251 441210455 /nfs/dbraw/zinc/21/04/55/441210455.db2.gz VJOWAPMUIRPNDV-MRXNPFEDSA-N 1 2 329.400 1.260 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000016553917 441226970 /nfs/dbraw/zinc/22/69/70/441226970.db2.gz WVRDMOIHFSBGFO-UHFFFAOYSA-N 1 2 333.388 1.074 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000016553917 441226974 /nfs/dbraw/zinc/22/69/74/441226974.db2.gz WVRDMOIHFSBGFO-UHFFFAOYSA-N 1 2 333.388 1.074 20 30 EDEDLO CN(C)C(=O)c1cccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000060479987 441246282 /nfs/dbraw/zinc/24/62/82/441246282.db2.gz KTMKBFZRXLUGIU-UHFFFAOYSA-N 1 2 349.438 1.977 20 30 EDEDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@H](C#N)CCC#N)CC2)C1 ZINC000072895278 441274529 /nfs/dbraw/zinc/27/45/29/441274529.db2.gz XWXDBYPNYAHAGU-KURKYZTESA-N 1 2 345.491 1.552 20 30 EDEDLO Cc1nc(CC(N)=[NH+]O[C@@H]2CCCN(c3cnn(C)c3)C2=O)cs1 ZINC000072920058 441276752 /nfs/dbraw/zinc/27/67/52/441276752.db2.gz MLKIOKQSPFQXAO-CYBMUJFWSA-N 1 2 348.432 1.212 20 30 EDEDLO Cc1nc(CN2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)cs1 ZINC000073368611 441313079 /nfs/dbraw/zinc/31/30/79/441313079.db2.gz ULCZFKAKVUMDHM-ZDUSSCGKSA-N 1 2 335.477 1.330 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000083169515 441352555 /nfs/dbraw/zinc/35/25/55/441352555.db2.gz HCLFHDREYOUQIG-RDJZCZTQSA-N 1 2 329.400 1.620 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000083169515 441352558 /nfs/dbraw/zinc/35/25/58/441352558.db2.gz HCLFHDREYOUQIG-RDJZCZTQSA-N 1 2 329.400 1.620 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000074210153 441407609 /nfs/dbraw/zinc/40/76/09/441407609.db2.gz QSLKJIYVPUQSHD-DLBZAZTESA-N 1 2 331.464 1.449 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C(N)=O)c1C ZINC000051562816 441414966 /nfs/dbraw/zinc/41/49/66/441414966.db2.gz VHEIPQVCFNEOGA-MRXNPFEDSA-N 1 2 328.416 1.500 20 30 EDEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C(N)=O)c1C ZINC000051562816 441414969 /nfs/dbraw/zinc/41/49/69/441414969.db2.gz VHEIPQVCFNEOGA-MRXNPFEDSA-N 1 2 328.416 1.500 20 30 EDEDLO C#CC[NH+]1CCN(Cn2ncn(CCc3cccs3)c2=S)CC1 ZINC000074171426 441402813 /nfs/dbraw/zinc/40/28/13/441402813.db2.gz FAZOSEUUFXRAQT-UHFFFAOYSA-N 1 2 347.513 1.927 20 30 EDEDLO C=CCNC(=O)[C@@H](C)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000027545794 441405131 /nfs/dbraw/zinc/40/51/31/441405131.db2.gz ORNYQIAEKVWXTC-OAHLLOKOSA-N 1 2 331.464 1.721 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000052856797 441481480 /nfs/dbraw/zinc/48/14/80/441481480.db2.gz XFTPZIRYQUQHCD-UHFFFAOYSA-N 1 2 325.416 1.465 20 30 EDEDLO C[C@@H](C#N)CN(C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000066469831 441534262 /nfs/dbraw/zinc/53/42/62/441534262.db2.gz OFBKJPBZIFILIB-HNNXBMFYSA-N 1 2 330.432 1.549 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(=O)n3nccc3[nH]2)CC1 ZINC000088524455 441511629 /nfs/dbraw/zinc/51/16/29/441511629.db2.gz COIQRJQPKQRNPO-QGZVFWFLSA-N 1 2 348.410 1.405 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](Cc2ccccn2)CC1 ZINC000054187254 441562822 /nfs/dbraw/zinc/56/28/22/441562822.db2.gz VMDUTWCEJSBBPT-QFBILLFUSA-N 1 2 343.475 1.642 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000077388903 441769184 /nfs/dbraw/zinc/76/91/84/441769184.db2.gz NRBQDULXLSEEJE-UHFFFAOYSA-N 1 2 330.413 1.878 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115570783 441758200 /nfs/dbraw/zinc/75/82/00/441758200.db2.gz PWCAEIMWQZFJPE-NVXWUHKLSA-N 1 2 342.443 1.874 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115570783 441758208 /nfs/dbraw/zinc/75/82/08/441758208.db2.gz PWCAEIMWQZFJPE-NVXWUHKLSA-N 1 2 342.443 1.874 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000042627074 441760919 /nfs/dbraw/zinc/76/09/19/441760919.db2.gz HSNOASLYFQFZOH-HNNXBMFYSA-N 1 2 349.862 1.474 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CC(N)=O)CC2)c(C#N)c1C ZINC000077168600 441726044 /nfs/dbraw/zinc/72/60/44/441726044.db2.gz UXKBBYVHTLCFDS-NSHDSACASA-N 1 2 332.404 1.683 20 30 EDEDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173505220 441771370 /nfs/dbraw/zinc/77/13/70/441771370.db2.gz ORNZYFBQMPPZLA-AWEZNQCLSA-N 1 2 325.372 1.661 20 30 EDEDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173505220 441771376 /nfs/dbraw/zinc/77/13/76/441771376.db2.gz ORNZYFBQMPPZLA-AWEZNQCLSA-N 1 2 325.372 1.661 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000137566418 441774424 /nfs/dbraw/zinc/77/44/24/441774424.db2.gz ZZEURYMAAVSGGK-MRXNPFEDSA-N 1 2 342.395 1.090 20 30 EDEDLO C#CC[N@@H+](Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)C1CCCC1 ZINC000093819806 441896760 /nfs/dbraw/zinc/89/67/60/441896760.db2.gz PQYAEXZEQHPENH-QGZVFWFLSA-N 1 2 335.473 1.795 20 30 EDEDLO C#CC[N@H+](Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1)C1CCCC1 ZINC000093819806 441896767 /nfs/dbraw/zinc/89/67/67/441896767.db2.gz PQYAEXZEQHPENH-QGZVFWFLSA-N 1 2 335.473 1.795 20 30 EDEDLO N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161108795 441957760 /nfs/dbraw/zinc/95/77/60/441957760.db2.gz LQTYRKVUACLSFI-HNNXBMFYSA-N 1 2 335.411 1.666 20 30 EDEDLO N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000120016640 441993692 /nfs/dbraw/zinc/99/36/92/441993692.db2.gz XRLYAQINUZNALW-MRXNPFEDSA-N 1 2 349.394 1.078 20 30 EDEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(C#N)cc1F ZINC000151066760 441999508 /nfs/dbraw/zinc/99/95/08/441999508.db2.gz HQAFFKNWLPABNV-UHFFFAOYSA-N 1 2 334.376 1.637 20 30 EDEDLO C=C(C)COCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000161305216 441983171 /nfs/dbraw/zinc/98/31/71/441983171.db2.gz GQLGODUNRDNATQ-UHFFFAOYSA-N 1 2 328.372 1.520 20 30 EDEDLO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000125949239 442064107 /nfs/dbraw/zinc/06/41/07/442064107.db2.gz SPBOEUWUGWQZLB-HUUCEWRRSA-N 1 2 330.494 1.699 20 30 EDEDLO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000125949239 442064113 /nfs/dbraw/zinc/06/41/13/442064113.db2.gz SPBOEUWUGWQZLB-HUUCEWRRSA-N 1 2 330.494 1.699 20 30 EDEDLO COCC[N@H+](CC(=O)N[C@H](C(C)=O)C(C)C)Cc1ccc(C#N)cc1 ZINC000154491030 442342528 /nfs/dbraw/zinc/34/25/28/442342528.db2.gz UOFFZFSKFVRBRL-IBGZPJMESA-N 1 2 345.443 1.736 20 30 EDEDLO COCC[N@@H+](CC(=O)N[C@H](C(C)=O)C(C)C)Cc1ccc(C#N)cc1 ZINC000154491030 442342531 /nfs/dbraw/zinc/34/25/31/442342531.db2.gz UOFFZFSKFVRBRL-IBGZPJMESA-N 1 2 345.443 1.736 20 30 EDEDLO C#C[C@H](C)NC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000186067004 442456779 /nfs/dbraw/zinc/45/67/79/442456779.db2.gz DXPMEVWFXBHZNF-AWEZNQCLSA-N 1 2 331.416 1.553 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000172592013 442498514 /nfs/dbraw/zinc/49/85/14/442498514.db2.gz SXVUPBYEKWJMSX-OAHLLOKOSA-N 1 2 335.429 1.008 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000172592013 442498518 /nfs/dbraw/zinc/49/85/18/442498518.db2.gz SXVUPBYEKWJMSX-OAHLLOKOSA-N 1 2 335.429 1.008 20 30 EDEDLO Cc1cccc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)c1C#N ZINC000156380303 442474326 /nfs/dbraw/zinc/47/43/26/442474326.db2.gz PJSSBKNEMUDLLX-UHFFFAOYSA-N 1 2 344.440 1.921 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)c(F)c1 ZINC000178873837 442509737 /nfs/dbraw/zinc/50/97/37/442509737.db2.gz JEBMWUGBUPLJRV-UHFFFAOYSA-N 1 2 337.314 1.600 20 30 EDEDLO NC(=NOCc1ccccn1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000180624665 442637559 /nfs/dbraw/zinc/63/75/59/442637559.db2.gz JRBBZESETYYIKR-UHFFFAOYSA-N 1 2 326.400 1.751 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)NCc1cc(C#N)ccc1F ZINC000173181125 442618259 /nfs/dbraw/zinc/61/82/59/442618259.db2.gz YVIHJKOHMVXQIX-UHFFFAOYSA-N 1 2 334.395 1.607 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)NCc1cc(C#N)ccc1F ZINC000173181125 442618261 /nfs/dbraw/zinc/61/82/61/442618261.db2.gz YVIHJKOHMVXQIX-UHFFFAOYSA-N 1 2 334.395 1.607 20 30 EDEDLO N#Cc1ccc(N2CCN(CCC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000157893543 442624252 /nfs/dbraw/zinc/62/42/52/442624252.db2.gz KZFYNNKRVZVTAR-UHFFFAOYSA-N 1 2 332.423 1.542 20 30 EDEDLO N#Cc1ccc2ncc(CN3CC[NH+](Cc4ccncc4)CC3)n2c1 ZINC000182040964 442730976 /nfs/dbraw/zinc/73/09/76/442730976.db2.gz DKGXLOACAZBJPM-UHFFFAOYSA-N 1 2 332.411 1.919 20 30 EDEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188468249 442753278 /nfs/dbraw/zinc/75/32/78/442753278.db2.gz CIWIUAHGFJBYJX-UHFFFAOYSA-N 1 2 341.371 1.792 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCCOc1ccccc1C(F)(F)F ZINC000181639256 442708103 /nfs/dbraw/zinc/70/81/03/442708103.db2.gz VQVZJPIFUDZVFO-UHFFFAOYSA-N 1 2 347.337 1.705 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000194045669 442836582 /nfs/dbraw/zinc/83/65/82/442836582.db2.gz ADMCPFGATKZULC-MRXNPFEDSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000194045669 442836586 /nfs/dbraw/zinc/83/65/86/442836586.db2.gz ADMCPFGATKZULC-MRXNPFEDSA-N 1 2 333.476 1.487 20 30 EDEDLO C[C@@H](C(=O)N(CC#N)C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000265614669 442846893 /nfs/dbraw/zinc/84/68/93/442846893.db2.gz YATZIMFSBKIATQ-AWEZNQCLSA-N 1 2 330.407 1.851 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000248581648 442902849 /nfs/dbraw/zinc/90/28/49/442902849.db2.gz OUFFCMJXNFSLHE-UHOFOFEASA-N 1 2 339.386 1.946 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000248581648 442902852 /nfs/dbraw/zinc/90/28/52/442902852.db2.gz OUFFCMJXNFSLHE-UHOFOFEASA-N 1 2 339.386 1.946 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000268282047 442930514 /nfs/dbraw/zinc/93/05/14/442930514.db2.gz GHGIYUNFUYDXON-GFCCVEGCSA-N 1 2 338.481 1.055 20 30 EDEDLO CCCN1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1=O ZINC000189425283 442949850 /nfs/dbraw/zinc/94/98/50/442949850.db2.gz XNFDWXHVTPQCPK-QGZVFWFLSA-N 1 2 340.427 1.608 20 30 EDEDLO CCCN1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1=O ZINC000189425283 442949853 /nfs/dbraw/zinc/94/98/53/442949853.db2.gz XNFDWXHVTPQCPK-QGZVFWFLSA-N 1 2 340.427 1.608 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249029262 442945278 /nfs/dbraw/zinc/94/52/78/442945278.db2.gz FALHOSHVVMQDNI-ZIAGYGMSSA-N 1 2 348.422 1.737 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000249029262 442945282 /nfs/dbraw/zinc/94/52/82/442945282.db2.gz FALHOSHVVMQDNI-ZIAGYGMSSA-N 1 2 348.422 1.737 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000268468456 442999520 /nfs/dbraw/zinc/99/95/20/442999520.db2.gz LYZNVDRUCYZMQK-YJBOKZPZSA-N 1 2 332.448 1.557 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000268468456 442999525 /nfs/dbraw/zinc/99/95/25/442999525.db2.gz LYZNVDRUCYZMQK-YJBOKZPZSA-N 1 2 332.448 1.557 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000266155374 443037561 /nfs/dbraw/zinc/03/75/61/443037561.db2.gz HTTGHJCZHJAVFJ-MPGHIAIKSA-N 1 2 343.427 1.505 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](CC(C)C)CC1 ZINC000185399923 443193956 /nfs/dbraw/zinc/19/39/56/443193956.db2.gz VXEQPHLZEDFTSS-UHFFFAOYSA-N 1 2 337.445 1.529 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccnc(C#N)c2)C1 ZINC000610992381 450400402 /nfs/dbraw/zinc/40/04/02/450400402.db2.gz ZPTRLQJAJRUXEQ-OAHLLOKOSA-N 1 2 344.415 1.187 20 30 EDEDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccnc(C#N)c2)C1 ZINC000610992381 450400403 /nfs/dbraw/zinc/40/04/03/450400403.db2.gz ZPTRLQJAJRUXEQ-OAHLLOKOSA-N 1 2 344.415 1.187 20 30 EDEDLO COc1cc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)ccc1C#N ZINC000282453272 443344301 /nfs/dbraw/zinc/34/43/01/443344301.db2.gz VDQFDOBDXCJZHI-UHFFFAOYSA-N 1 2 349.398 1.327 20 30 EDEDLO NC(=[NH+]OC[C@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000278587463 443370553 /nfs/dbraw/zinc/37/05/53/443370553.db2.gz GQBAAVNVZFJXKO-SECBINFHSA-N 1 2 336.335 1.777 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000264827853 443442942 /nfs/dbraw/zinc/44/29/42/443442942.db2.gz ZLEQOULCZQBWSU-SJLPKXTDSA-N 1 2 344.459 1.731 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000278678294 443399368 /nfs/dbraw/zinc/39/93/68/443399368.db2.gz IJKXFSVBPAEMIX-AWEZNQCLSA-N 1 2 337.445 1.041 20 30 EDEDLO O=C(C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1)NC1CC1 ZINC000267410560 443448398 /nfs/dbraw/zinc/44/83/98/443448398.db2.gz RPSOSHLXOCYFAU-UHFFFAOYSA-N 1 2 331.847 1.588 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C#N ZINC000267425517 443453326 /nfs/dbraw/zinc/45/33/26/443453326.db2.gz UAMXITPTGUCYIV-ZDUSSCGKSA-N 1 2 337.383 1.935 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1)OCC ZINC000270225611 443464514 /nfs/dbraw/zinc/46/45/14/443464514.db2.gz UMOUKWPWKITAGA-KGLIPLIRSA-N 1 2 325.478 1.993 20 30 EDEDLO C#CCOc1cccc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1 ZINC000267471644 443469098 /nfs/dbraw/zinc/46/90/98/443469098.db2.gz OMQBIQDVXGPJNT-UHFFFAOYSA-N 1 2 344.415 1.112 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000272859448 443470167 /nfs/dbraw/zinc/47/01/67/443470167.db2.gz QEFLFFJXGNSGKR-UHFFFAOYSA-N 1 2 336.417 1.043 20 30 EDEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000271376767 443503259 /nfs/dbraw/zinc/50/32/59/443503259.db2.gz SKVVUEHXQIRTGK-LJQANCHMSA-N 1 2 341.411 1.640 20 30 EDEDLO COC(=O)c1ccc2c(c1)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC2 ZINC000271376767 443503263 /nfs/dbraw/zinc/50/32/63/443503263.db2.gz SKVVUEHXQIRTGK-LJQANCHMSA-N 1 2 341.411 1.640 20 30 EDEDLO C=CCN(CCc1ccco1)C(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283360808 443612147 /nfs/dbraw/zinc/61/21/47/443612147.db2.gz URLRCRBJWNWMGU-UHFFFAOYSA-N 1 2 330.388 1.240 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N2CCc3c2cccc3F)CC1 ZINC000274952637 443616718 /nfs/dbraw/zinc/61/67/18/443616718.db2.gz RWVBJGBSRDUWAD-UHFFFAOYSA-N 1 2 344.390 1.161 20 30 EDEDLO C#CC[C@@H](Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)c1ccccc1 ZINC000274972897 443616975 /nfs/dbraw/zinc/61/69/75/443616975.db2.gz YHVABJYZMQNGFX-MRXNPFEDSA-N 1 2 335.411 1.932 20 30 EDEDLO C#CC[C@@H](Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)c1ccccc1 ZINC000274972897 443616977 /nfs/dbraw/zinc/61/69/77/443616977.db2.gz YHVABJYZMQNGFX-MRXNPFEDSA-N 1 2 335.411 1.932 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2COc3ccccc3C2)CC1 ZINC000274968587 443617126 /nfs/dbraw/zinc/61/71/26/443617126.db2.gz SORLYMSHSUULFJ-HNNXBMFYSA-N 1 2 328.416 1.619 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000275891908 443645979 /nfs/dbraw/zinc/64/59/79/443645979.db2.gz HSSGDWFFPIGVPL-OAHLLOKOSA-N 1 2 346.435 1.371 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000275891908 443645981 /nfs/dbraw/zinc/64/59/81/443645981.db2.gz HSSGDWFFPIGVPL-OAHLLOKOSA-N 1 2 346.435 1.371 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000276152928 443655979 /nfs/dbraw/zinc/65/59/79/443655979.db2.gz ZPDNQMFCTROKQS-KRWDZBQOSA-N 1 2 335.411 1.889 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000276152928 443655980 /nfs/dbraw/zinc/65/59/80/443655980.db2.gz ZPDNQMFCTROKQS-KRWDZBQOSA-N 1 2 335.411 1.889 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000286438617 443711267 /nfs/dbraw/zinc/71/12/67/443711267.db2.gz HUUYRJOURPSFRX-FUHWJXTLSA-N 1 2 329.444 1.641 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000292249485 443786767 /nfs/dbraw/zinc/78/67/67/443786767.db2.gz DFNZKPOVQKWOEC-KKUMJFAQSA-N 1 2 346.431 1.213 20 30 EDEDLO N#CCCCC(=O)N1CCC[C@H](c2n[nH]cc2C[NH+]2CCOCC2)C1 ZINC000291541304 443760971 /nfs/dbraw/zinc/76/09/71/443760971.db2.gz UPSXPEULATZYPU-HNNXBMFYSA-N 1 2 345.447 1.642 20 30 EDEDLO CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292172259 443779907 /nfs/dbraw/zinc/77/99/07/443779907.db2.gz LYSPKAVVSDTXNR-DGCLKSJQSA-N 1 2 329.360 1.697 20 30 EDEDLO CO[C@H](C)c1noc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292172259 443779913 /nfs/dbraw/zinc/77/99/13/443779913.db2.gz LYSPKAVVSDTXNR-DGCLKSJQSA-N 1 2 329.360 1.697 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000277042987 443892696 /nfs/dbraw/zinc/89/26/96/443892696.db2.gz PJJWPSNPEFUVHD-CQSZACIVSA-N 1 2 346.412 1.662 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(C#N)c1C ZINC000281386319 443896868 /nfs/dbraw/zinc/89/68/68/443896868.db2.gz PNNDZWYAJBOBDP-SUHUHFCYSA-N 1 2 346.387 1.525 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(C#N)c1C ZINC000281386319 443896870 /nfs/dbraw/zinc/89/68/70/443896870.db2.gz PNNDZWYAJBOBDP-SUHUHFCYSA-N 1 2 346.387 1.525 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CNc3cccc(N4C(=O)CNC4=O)c3)n2c1 ZINC000538823074 320747877 /nfs/dbraw/zinc/74/78/77/320747877.db2.gz JAWNLFZOUOZLKR-UHFFFAOYSA-N 1 2 346.350 1.874 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)C1=O ZINC000281455677 443916810 /nfs/dbraw/zinc/91/68/10/443916810.db2.gz UXVKTBZGVFYRGX-HUUCEWRRSA-N 1 2 332.448 1.436 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)C1=O ZINC000281455677 443916813 /nfs/dbraw/zinc/91/68/13/443916813.db2.gz UXVKTBZGVFYRGX-HUUCEWRRSA-N 1 2 332.448 1.436 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000285481803 444000736 /nfs/dbraw/zinc/00/07/36/444000736.db2.gz BRZIHXAVSFXJQE-UHFFFAOYSA-N 1 2 328.412 1.487 20 30 EDEDLO C#CC[N@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000285481803 444000739 /nfs/dbraw/zinc/00/07/39/444000739.db2.gz BRZIHXAVSFXJQE-UHFFFAOYSA-N 1 2 328.412 1.487 20 30 EDEDLO Cn1cc(C[N@@H+]2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)cc1C#N ZINC000285530084 444018451 /nfs/dbraw/zinc/01/84/51/444018451.db2.gz PCRUBRJMLCQWAL-OAHLLOKOSA-N 1 2 326.404 1.646 20 30 EDEDLO Cn1cc(C[N@H+]2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)cc1C#N ZINC000285530084 444018455 /nfs/dbraw/zinc/01/84/55/444018455.db2.gz PCRUBRJMLCQWAL-OAHLLOKOSA-N 1 2 326.404 1.646 20 30 EDEDLO C=CCCCS(=O)(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000293602756 444066870 /nfs/dbraw/zinc/06/68/70/444066870.db2.gz XYFNMEWCBAFNMH-QGZVFWFLSA-N 1 2 338.473 1.634 20 30 EDEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277979336 444075464 /nfs/dbraw/zinc/07/54/64/444075464.db2.gz QPHCPSNQHMVYRF-UHFFFAOYSA-N 1 2 343.427 1.697 20 30 EDEDLO COc1cc(C[N@@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)ccc1C#N ZINC000285639095 444056372 /nfs/dbraw/zinc/05/63/72/444056372.db2.gz WZYGIUIUACFTEB-OAHLLOKOSA-N 1 2 327.388 1.747 20 30 EDEDLO COc1cc(C[N@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)ccc1C#N ZINC000285639095 444056374 /nfs/dbraw/zinc/05/63/74/444056374.db2.gz WZYGIUIUACFTEB-OAHLLOKOSA-N 1 2 327.388 1.747 20 30 EDEDLO CC(=O)c1ccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000299581813 444085723 /nfs/dbraw/zinc/08/57/23/444085723.db2.gz YQKNVILWIDFBLR-UHFFFAOYSA-N 1 2 343.427 1.506 20 30 EDEDLO CCOC1CC(CNc2nccc(C)c2C#N)([NH+]2CCOCC2)C1 ZINC000278039898 444088861 /nfs/dbraw/zinc/08/88/61/444088861.db2.gz QPLAZAQVXOQRPK-UHFFFAOYSA-N 1 2 330.432 1.944 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc3c([nH]c2=O)CCCC3=O)CC1 ZINC000299652238 444106314 /nfs/dbraw/zinc/10/63/14/444106314.db2.gz JQRVHMVMAAMWMN-UHFFFAOYSA-N 1 2 327.384 1.087 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000282339708 444151138 /nfs/dbraw/zinc/15/11/38/444151138.db2.gz QZCLNURMUHZUNH-MCIONIFRSA-N 1 2 325.438 1.245 20 30 EDEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000295082471 444165210 /nfs/dbraw/zinc/16/52/10/444165210.db2.gz BFJZELUGHPXCQW-INIZCTEOSA-N 1 2 344.415 1.337 20 30 EDEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000295082471 444165213 /nfs/dbraw/zinc/16/52/13/444165213.db2.gz BFJZELUGHPXCQW-INIZCTEOSA-N 1 2 344.415 1.337 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000294579722 444124121 /nfs/dbraw/zinc/12/41/21/444124121.db2.gz XWJBHIXHOPAXIM-HNNXBMFYSA-N 1 2 330.432 1.595 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)CCN1C ZINC000296120798 444206236 /nfs/dbraw/zinc/20/62/36/444206236.db2.gz VZORILLSKGWBAM-RDTXWAMCSA-N 1 2 327.432 1.709 20 30 EDEDLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nc1C#N ZINC000302688202 444219690 /nfs/dbraw/zinc/21/96/90/444219690.db2.gz YUHKSOPVSMMXQI-HNNXBMFYSA-N 1 2 327.432 1.395 20 30 EDEDLO Cc1nc(N(C)CCCc2[nH]nc(N)c2C#N)c2c([nH+]1)CCCC2 ZINC000301576166 444180394 /nfs/dbraw/zinc/18/03/94/444180394.db2.gz QHPJRZONTLRCHF-UHFFFAOYSA-N 1 2 325.420 1.910 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c(C#N)c1C ZINC000295378472 444181024 /nfs/dbraw/zinc/18/10/24/444181024.db2.gz PYKJEJQLTBMFGG-NSHDSACASA-N 1 2 345.359 1.263 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c(C#N)c1C ZINC000295378472 444181026 /nfs/dbraw/zinc/18/10/26/444181026.db2.gz PYKJEJQLTBMFGG-NSHDSACASA-N 1 2 345.359 1.263 20 30 EDEDLO CSC[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289634076 444183454 /nfs/dbraw/zinc/18/34/54/444183454.db2.gz BTFQXFSOISHVRO-ZDUSSCGKSA-N 1 2 325.459 1.554 20 30 EDEDLO CSC[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289634076 444183457 /nfs/dbraw/zinc/18/34/57/444183457.db2.gz BTFQXFSOISHVRO-ZDUSSCGKSA-N 1 2 325.459 1.554 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000296775785 444254401 /nfs/dbraw/zinc/25/44/01/444254401.db2.gz HQGSNRMIGBCWOF-UHFFFAOYSA-N 1 2 343.427 1.363 20 30 EDEDLO Cc1sc(NC(=O)C[NH+]2CCC(OCCO)CC2)c(C#N)c1C ZINC000322169675 444339085 /nfs/dbraw/zinc/33/90/85/444339085.db2.gz XDNOPUSDGJQEOY-UHFFFAOYSA-N 1 2 337.445 1.648 20 30 EDEDLO CCN(C)C(=O)[C@H](C)NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000331000970 444353608 /nfs/dbraw/zinc/35/36/08/444353608.db2.gz FKATUXOULBZCFV-ZDUSSCGKSA-N 1 2 338.477 1.647 20 30 EDEDLO CCN1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000331004597 444355813 /nfs/dbraw/zinc/35/58/13/444355813.db2.gz SFKZSZWPNKHEKF-PBHICJAKSA-N 1 2 332.452 1.143 20 30 EDEDLO Cc1cccc(S(=O)(=O)NC[C@@H]2CCn3cc[nH+]c3C2)c1C#N ZINC000328634301 444405510 /nfs/dbraw/zinc/40/55/10/444405510.db2.gz UADFFDCKRYCRLZ-CYBMUJFWSA-N 1 2 330.413 1.604 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000298125511 444423738 /nfs/dbraw/zinc/42/37/38/444423738.db2.gz PUAPLLLLPKMSKF-HNNXBMFYSA-N 1 2 345.443 1.545 20 30 EDEDLO CC(C)(C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)[NH+]1CCOCC1 ZINC000328675366 444424860 /nfs/dbraw/zinc/42/48/60/444424860.db2.gz KOTBYMYQEWDFLI-MEDUHNTESA-N 1 2 338.408 1.477 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCC34CCOCC4)C[C@H]21 ZINC000328887997 444389346 /nfs/dbraw/zinc/38/93/46/444389346.db2.gz PWIYTAKMWZQGTD-BZUAXINKSA-N 1 2 337.464 1.655 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCC34CCOCC4)C[C@H]21 ZINC000328887997 444389348 /nfs/dbraw/zinc/38/93/48/444389348.db2.gz PWIYTAKMWZQGTD-BZUAXINKSA-N 1 2 337.464 1.655 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(CC(=O)NC(=O)NC3CCCCC3)C[C@H]21 ZINC000328906350 444396781 /nfs/dbraw/zinc/39/67/81/444396781.db2.gz KRRSWPSYJKUZQX-HUUCEWRRSA-N 1 2 338.452 1.595 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(CC(=O)NC(=O)NC3CCCCC3)C[C@H]21 ZINC000328906350 444396787 /nfs/dbraw/zinc/39/67/87/444396787.db2.gz KRRSWPSYJKUZQX-HUUCEWRRSA-N 1 2 338.452 1.595 20 30 EDEDLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@]2(C)CCCS2)CCO1 ZINC000331222099 444449020 /nfs/dbraw/zinc/44/90/20/444449020.db2.gz CJVVGKAXRJNRHD-DOMZBBRYSA-N 1 2 344.481 1.354 20 30 EDEDLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC[C@]2(C)CCCS2)CCO1 ZINC000331222099 444449023 /nfs/dbraw/zinc/44/90/23/444449023.db2.gz CJVVGKAXRJNRHD-DOMZBBRYSA-N 1 2 344.481 1.354 20 30 EDEDLO C[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000331226848 444450545 /nfs/dbraw/zinc/45/05/45/444450545.db2.gz FQBWBVQEQBHWLY-XOKHGSTOSA-N 1 2 328.416 1.787 20 30 EDEDLO Cc1c(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cnn1C1CCOCC1 ZINC000329050700 444458350 /nfs/dbraw/zinc/45/83/50/444458350.db2.gz REKVOQAHWPBXAX-ZDUSSCGKSA-N 1 2 336.436 1.568 20 30 EDEDLO Cc1c(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cnn1C1CCOCC1 ZINC000329050700 444458353 /nfs/dbraw/zinc/45/83/53/444458353.db2.gz REKVOQAHWPBXAX-ZDUSSCGKSA-N 1 2 336.436 1.568 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC(F)F)nc3)C[C@H]21 ZINC000328686589 444429197 /nfs/dbraw/zinc/42/91/97/444429197.db2.gz GKMFEQIGDLRWDC-MNOVXSKESA-N 1 2 328.319 1.243 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC(F)F)nc3)C[C@H]21 ZINC000328686589 444429199 /nfs/dbraw/zinc/42/91/99/444429199.db2.gz GKMFEQIGDLRWDC-MNOVXSKESA-N 1 2 328.319 1.243 20 30 EDEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCN3C(=O)CC[C@H]3C2)c1 ZINC000329109080 444474289 /nfs/dbraw/zinc/47/42/89/444474289.db2.gz FWECFMZAHBPZAP-HNNXBMFYSA-N 1 2 339.399 1.939 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329129489 444479228 /nfs/dbraw/zinc/47/92/28/444479228.db2.gz WAOAEUOHNOJLQF-CXAGYDPISA-N 1 2 334.420 1.561 20 30 EDEDLO CCCCn1c2nc(C[NH2+][C@@H]3CCC[C@@H]3C#N)n(C)c2c(=O)[nH]c1=O ZINC000331751016 444486263 /nfs/dbraw/zinc/48/62/63/444486263.db2.gz GMEOLMXZIZTNGY-VXGBXAGGSA-N 1 2 344.419 1.418 20 30 EDEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329168452 444490155 /nfs/dbraw/zinc/49/01/55/444490155.db2.gz JBMKXZQFRJPRHY-CWRNSKLLSA-N 1 2 336.457 1.959 20 30 EDEDLO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329168452 444490157 /nfs/dbraw/zinc/49/01/57/444490157.db2.gz JBMKXZQFRJPRHY-CWRNSKLLSA-N 1 2 336.457 1.959 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000331991211 444494536 /nfs/dbraw/zinc/49/45/36/444494536.db2.gz XWQHIXVJFHDTSX-NVXWUHKLSA-N 1 2 345.447 1.598 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000580451945 322053918 /nfs/dbraw/zinc/05/39/18/322053918.db2.gz MJWIXFYAEQQUEE-GFCCVEGCSA-N 1 2 325.372 1.459 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000580451945 322053920 /nfs/dbraw/zinc/05/39/20/322053920.db2.gz MJWIXFYAEQQUEE-GFCCVEGCSA-N 1 2 325.372 1.459 20 30 EDEDLO CC(C)[C@H]1CCCN(C(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)CC1 ZINC000332302748 444509242 /nfs/dbraw/zinc/50/92/42/444509242.db2.gz LLUXRUGKFBDLDD-INIZCTEOSA-N 1 2 348.491 1.717 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000329261172 444515133 /nfs/dbraw/zinc/51/51/33/444515133.db2.gz ZCIIKGUGTXHTPV-JKSUJKDBSA-N 1 2 344.463 1.239 20 30 EDEDLO C=CCC(C)(C)c1noc([C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000340803065 444516586 /nfs/dbraw/zinc/51/65/86/444516586.db2.gz RVLMWHRADVJQBD-CQSZACIVSA-N 1 2 348.447 1.571 20 30 EDEDLO CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)c[nH+]1 ZINC000343691580 444523188 /nfs/dbraw/zinc/52/31/88/444523188.db2.gz GHIMXAFNDLWDJS-UHFFFAOYSA-N 1 2 334.376 1.637 20 30 EDEDLO Cc1csc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1 ZINC000343698152 444527593 /nfs/dbraw/zinc/52/75/93/444527593.db2.gz SXSPQFWJLXNPSP-NSHDSACASA-N 1 2 336.442 1.843 20 30 EDEDLO CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329322699 444534579 /nfs/dbraw/zinc/53/45/79/444534579.db2.gz JOVNBZJPQZPLTJ-WBVHZDCISA-N 1 2 337.464 1.845 20 30 EDEDLO CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329322699 444534583 /nfs/dbraw/zinc/53/45/83/444534583.db2.gz JOVNBZJPQZPLTJ-WBVHZDCISA-N 1 2 337.464 1.845 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCCC[C@H]1O)C1CCOCC1 ZINC000329341224 444541169 /nfs/dbraw/zinc/54/11/69/444541169.db2.gz OTOYINJUAPXTJI-RBSFLKMASA-N 1 2 336.436 1.695 20 30 EDEDLO O=C(Nc1cccc2c1OCO2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329339537 444541667 /nfs/dbraw/zinc/54/16/67/444541667.db2.gz RBWQEZNIPLZJSB-CYBMUJFWSA-N 1 2 333.388 1.757 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1CC(=O)N(C3CC3)C1)CCC2 ZINC000329346184 444543090 /nfs/dbraw/zinc/54/30/90/444543090.db2.gz RENGOKCZDPUZRC-KGLIPLIRSA-N 1 2 345.447 1.583 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)C1CCOCC1 ZINC000329357725 444547984 /nfs/dbraw/zinc/54/79/84/444547984.db2.gz WTVYDGUOZWAJNP-XUWVNRHRSA-N 1 2 348.447 1.505 20 30 EDEDLO O=C(NCC#Cc1cccc(F)c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000338245022 444585486 /nfs/dbraw/zinc/58/54/86/444585486.db2.gz FUEKZGUMRUYHLO-SFHVURJKSA-N 1 2 330.403 1.937 20 30 EDEDLO O=C(NCC#Cc1cccc(F)c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000338245022 444585488 /nfs/dbraw/zinc/58/54/88/444585488.db2.gz FUEKZGUMRUYHLO-SFHVURJKSA-N 1 2 330.403 1.937 20 30 EDEDLO CN(CCC1CC1)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329473785 444595571 /nfs/dbraw/zinc/59/55/71/444595571.db2.gz ZTILGASUYLDSEX-UHFFFAOYSA-N 1 2 345.447 1.747 20 30 EDEDLO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000329501243 444605660 /nfs/dbraw/zinc/60/56/60/444605660.db2.gz KJCZBWVKFMBLQJ-CYBMUJFWSA-N 1 2 344.406 1.230 20 30 EDEDLO COc1ccc2c(c1OC)CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000340968459 444606376 /nfs/dbraw/zinc/60/63/76/444606376.db2.gz GBEPQEQAZZWXBD-LJQANCHMSA-N 1 2 343.427 1.870 20 30 EDEDLO COc1ccc2c(c1OC)CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2 ZINC000340968459 444606382 /nfs/dbraw/zinc/60/63/82/444606382.db2.gz GBEPQEQAZZWXBD-LJQANCHMSA-N 1 2 343.427 1.870 20 30 EDEDLO C[C@@H](CNC(=O)c1nn(C)c2ccccc2c1=O)C[NH+]1CCOCC1 ZINC000329681389 444676799 /nfs/dbraw/zinc/67/67/99/444676799.db2.gz RVVZZBBAGXJWCH-ZDUSSCGKSA-N 1 2 344.415 1.206 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341266513 444753995 /nfs/dbraw/zinc/75/39/95/444753995.db2.gz IHEBXFJAERTFOT-RHSMWYFYSA-N 1 2 339.399 1.926 20 30 EDEDLO CCN1CCN([C@H](C)C(=O)NC(=O)NC2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329904198 444761849 /nfs/dbraw/zinc/76/18/49/444761849.db2.gz IWVSUAYWOWYCKJ-DGCLKSJQSA-N 1 2 334.424 1.510 20 30 EDEDLO C=CCN1C(=O)N=NC1S(=O)(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000341334037 444783227 /nfs/dbraw/zinc/78/32/27/444783227.db2.gz HKOJZGOXCYEQLI-UHFFFAOYSA-N 1 2 333.373 1.100 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000329967149 444791834 /nfs/dbraw/zinc/79/18/34/444791834.db2.gz SITJRQIYKIPYJC-AXAPSJFSSA-N 1 2 333.388 1.407 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000329967149 444791836 /nfs/dbraw/zinc/79/18/36/444791836.db2.gz SITJRQIYKIPYJC-AXAPSJFSSA-N 1 2 333.388 1.407 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329967149 444791838 /nfs/dbraw/zinc/79/18/38/444791838.db2.gz SITJRQIYKIPYJC-AXAPSJFSSA-N 1 2 333.388 1.407 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329967149 444791840 /nfs/dbraw/zinc/79/18/40/444791840.db2.gz SITJRQIYKIPYJC-AXAPSJFSSA-N 1 2 333.388 1.407 20 30 EDEDLO CCN1CCN(C(=O)N[C@H](C)C2CCOCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329987753 444800937 /nfs/dbraw/zinc/80/09/37/444800937.db2.gz GLUUJFKWQGYPJK-UKRRQHHQSA-N 1 2 335.452 1.817 20 30 EDEDLO CC1CC(NC(=O)N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)C1 ZINC000330009680 444809427 /nfs/dbraw/zinc/80/94/27/444809427.db2.gz HLWKDTLUDUFNSP-HWOWSKLDSA-N 1 2 336.480 1.718 20 30 EDEDLO CS(=O)(=O)C1(CNC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000330024348 444814838 /nfs/dbraw/zinc/81/48/38/444814838.db2.gz JRINMVHFFTUXBJ-UHFFFAOYSA-N 1 2 329.466 1.038 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc4[nH+]ccn4c3)C2)nc1 ZINC000341428367 444824826 /nfs/dbraw/zinc/82/48/26/444824826.db2.gz FHSUMXMILPQBKE-OAHLLOKOSA-N 1 2 333.351 1.894 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cn([C@@H]3CCOC3)nn1)CCC2 ZINC000330066319 444832180 /nfs/dbraw/zinc/83/21/80/444832180.db2.gz STINJXPOGKVYJE-QWHCGFSZSA-N 1 2 330.392 1.627 20 30 EDEDLO CC[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC[N@@H+]1CCOC ZINC000330125492 444853903 /nfs/dbraw/zinc/85/39/03/444853903.db2.gz IITKTNWRPQESNA-HUUCEWRRSA-N 1 2 335.452 1.744 20 30 EDEDLO CC[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC[N@H+]1CCOC ZINC000330125492 444853907 /nfs/dbraw/zinc/85/39/07/444853907.db2.gz IITKTNWRPQESNA-HUUCEWRRSA-N 1 2 335.452 1.744 20 30 EDEDLO C[C@@H](C(=O)NCC[NH+]1CCCCC1)S(=O)(=O)C1CCOCC1 ZINC000330142252 444860457 /nfs/dbraw/zinc/86/04/57/444860457.db2.gz JYABOWVVETVGHU-ZDUSSCGKSA-N 1 2 332.466 1.411 20 30 EDEDLO CC(C)CN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)[C@@H](C)C1=O ZINC000342797520 444871289 /nfs/dbraw/zinc/87/12/89/444871289.db2.gz PCXLZQRXPJTTJX-AWEZNQCLSA-N 1 2 325.416 1.895 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000341541134 444883986 /nfs/dbraw/zinc/88/39/86/444883986.db2.gz XUMQRHJGKIPQTC-UHFFFAOYSA-N 1 2 327.388 1.328 20 30 EDEDLO Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1N1CCNC1=O ZINC000330210607 444890582 /nfs/dbraw/zinc/89/05/82/444890582.db2.gz ILOBDWHTKPRQLI-CQSZACIVSA-N 1 2 347.419 1.386 20 30 EDEDLO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1N1CCNC1=O ZINC000330210607 444890587 /nfs/dbraw/zinc/89/05/87/444890587.db2.gz ILOBDWHTKPRQLI-CQSZACIVSA-N 1 2 347.419 1.386 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1=O ZINC000337042002 444913762 /nfs/dbraw/zinc/91/37/62/444913762.db2.gz BVHSZTTYUQTMML-BBRMVZONSA-N 1 2 344.459 1.883 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1=O ZINC000337042002 444913765 /nfs/dbraw/zinc/91/37/65/444913765.db2.gz BVHSZTTYUQTMML-BBRMVZONSA-N 1 2 344.459 1.883 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2ccnn2)c(C#N)c1C ZINC000344414711 444951526 /nfs/dbraw/zinc/95/15/26/444951526.db2.gz CYJNAUSFDSZKLH-CYBMUJFWSA-N 1 2 328.376 1.463 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2ccnn2)c(C#N)c1C ZINC000344414711 444951529 /nfs/dbraw/zinc/95/15/29/444951529.db2.gz CYJNAUSFDSZKLH-CYBMUJFWSA-N 1 2 328.376 1.463 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000330376927 444958350 /nfs/dbraw/zinc/95/83/50/444958350.db2.gz PLQYVFXONRIFCD-AWEZNQCLSA-N 1 2 340.449 1.124 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000344435119 444968556 /nfs/dbraw/zinc/96/85/56/444968556.db2.gz NZDKLQZDXZKWOH-UHFFFAOYSA-N 1 2 340.427 1.777 20 30 EDEDLO C=C(C)[C@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)OCC ZINC000339210837 445090934 /nfs/dbraw/zinc/09/09/34/445090934.db2.gz UBLWFUGJYGIGPP-RDJZCZTQSA-N 1 2 342.505 1.682 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337470774 445094896 /nfs/dbraw/zinc/09/48/96/445094896.db2.gz VYTXETVXTGAQCJ-MRXNPFEDSA-N 1 2 344.459 1.900 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337470774 445094902 /nfs/dbraw/zinc/09/49/02/445094902.db2.gz VYTXETVXTGAQCJ-MRXNPFEDSA-N 1 2 344.459 1.900 20 30 EDEDLO CCN(C(=O)NCc1cn2c([nH+]1)CCCC2)[C@@H](C)CS(C)(=O)=O ZINC000330708886 445105534 /nfs/dbraw/zinc/10/55/34/445105534.db2.gz NZRGFSKYJXIVJQ-LBPRGKRZSA-N 1 2 342.465 1.388 20 30 EDEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000339266237 445124519 /nfs/dbraw/zinc/12/45/19/445124519.db2.gz XATRJSBIXLPBAI-QGZVFWFLSA-N 1 2 344.390 1.811 20 30 EDEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000339266237 445124531 /nfs/dbraw/zinc/12/45/31/445124531.db2.gz XATRJSBIXLPBAI-QGZVFWFLSA-N 1 2 344.390 1.811 20 30 EDEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000337645805 445185808 /nfs/dbraw/zinc/18/58/08/445185808.db2.gz IXNXRBWBLGGIPD-UHFFFAOYSA-N 1 2 345.443 1.534 20 30 EDEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000330975151 445204604 /nfs/dbraw/zinc/20/46/04/445204604.db2.gz JRXPGYCFNDGNNU-CVEARBPZSA-N 1 2 336.480 1.884 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C1(C#N)CCC1)CC2 ZINC000346104780 445206382 /nfs/dbraw/zinc/20/63/82/445206382.db2.gz QXKYCIVRQISGDE-UHFFFAOYSA-N 1 2 343.427 1.872 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C1(C#N)CCC1)CC2 ZINC000346104780 445206383 /nfs/dbraw/zinc/20/63/83/445206383.db2.gz QXKYCIVRQISGDE-UHFFFAOYSA-N 1 2 343.427 1.872 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@@H]1OCC[N@@H+](CC)[C@@H]1c1ccccc1 ZINC000343493788 445233402 /nfs/dbraw/zinc/23/34/02/445233402.db2.gz OZKXCWLTPXOOGA-DLBZAZTESA-N 1 2 338.473 1.944 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@@H]1OCC[N@H+](CC)[C@@H]1c1ccccc1 ZINC000343493788 445233404 /nfs/dbraw/zinc/23/34/04/445233404.db2.gz OZKXCWLTPXOOGA-DLBZAZTESA-N 1 2 338.473 1.944 20 30 EDEDLO CC#CCCNC(=O)N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000347937986 445257286 /nfs/dbraw/zinc/25/72/86/445257286.db2.gz BVLVTRGUKLEEPK-WMLDXEAASA-N 1 2 343.431 1.327 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[S@](=O)CC1(C)C ZINC000348214565 445317939 /nfs/dbraw/zinc/31/79/39/445317939.db2.gz YPWBLAQUCBQMKS-HJPURHCSSA-N 1 2 337.485 1.998 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[S@](=O)CC1(C)C ZINC000348214565 445317940 /nfs/dbraw/zinc/31/79/40/445317940.db2.gz YPWBLAQUCBQMKS-HJPURHCSSA-N 1 2 337.485 1.998 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000348538205 445318846 /nfs/dbraw/zinc/31/88/46/445318846.db2.gz NKEWLFYOHSKGEB-ZDUSSCGKSA-N 1 2 337.445 1.254 20 30 EDEDLO CC(C)[C@H](C#N)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000343635444 445274121 /nfs/dbraw/zinc/27/41/21/445274121.db2.gz HQSHBGCTJVFLAX-HOTGVXAUSA-N 1 2 345.447 1.682 20 30 EDEDLO CC(C)[C@H](C#N)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000343635444 445274124 /nfs/dbraw/zinc/27/41/24/445274124.db2.gz HQSHBGCTJVFLAX-HOTGVXAUSA-N 1 2 345.447 1.682 20 30 EDEDLO Cc1nc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cs1 ZINC000343682908 445300731 /nfs/dbraw/zinc/30/07/31/445300731.db2.gz HJBKNFOHCCQSKF-SNVBAGLBSA-N 1 2 336.442 1.843 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N(Cc2cccc(-n3cc[nH+]c3)c2)C1=O ZINC000348595260 445334896 /nfs/dbraw/zinc/33/48/96/445334896.db2.gz ZEZXINZRPZUIMB-HNNXBMFYSA-N 1 2 326.356 1.495 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000357029704 445383661 /nfs/dbraw/zinc/38/36/61/445383661.db2.gz WIRAKXPPCOYGID-UHFFFAOYSA-N 1 2 329.400 1.593 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000357029704 445383664 /nfs/dbraw/zinc/38/36/64/445383664.db2.gz WIRAKXPPCOYGID-UHFFFAOYSA-N 1 2 329.400 1.593 20 30 EDEDLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC(F)(C#N)CC1 ZINC000352459222 445531101 /nfs/dbraw/zinc/53/11/01/445531101.db2.gz VUSUDMYRUQHBNM-KGLIPLIRSA-N 1 2 347.390 1.659 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)[C@H]1COC[C@H]1O ZINC000352794873 445556300 /nfs/dbraw/zinc/55/63/00/445556300.db2.gz SAHOXRMMZULOOA-UHOFOFEASA-N 1 2 335.379 1.152 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352794873 445556302 /nfs/dbraw/zinc/55/63/02/445556302.db2.gz SAHOXRMMZULOOA-UHOFOFEASA-N 1 2 335.379 1.152 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(OC)cc2)CC1 ZINC000363135169 445691943 /nfs/dbraw/zinc/69/19/43/445691943.db2.gz QJQCLHYFYKJLON-UHFFFAOYSA-N 1 2 345.443 1.074 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(OC)cc2)CC1 ZINC000363135169 445691946 /nfs/dbraw/zinc/69/19/46/445691946.db2.gz QJQCLHYFYKJLON-UHFFFAOYSA-N 1 2 345.443 1.074 20 30 EDEDLO Cc1noc(C2(C)CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)n1 ZINC000360436951 445708363 /nfs/dbraw/zinc/70/83/63/445708363.db2.gz NYJIGZSHLFVGFQ-KRWDZBQOSA-N 1 2 333.436 1.786 20 30 EDEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000356399249 445771992 /nfs/dbraw/zinc/77/19/92/445771992.db2.gz BSAPDJRZXLNPID-AAEUAGOBSA-N 1 2 332.408 1.854 20 30 EDEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@@H]1C[C@H](F)CN1c1ccncn1 ZINC000356399249 445771995 /nfs/dbraw/zinc/77/19/95/445771995.db2.gz BSAPDJRZXLNPID-AAEUAGOBSA-N 1 2 332.408 1.854 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000349953293 445731948 /nfs/dbraw/zinc/73/19/48/445731948.db2.gz AKJJDGCYBNNZEU-CABCVRRESA-N 1 2 336.411 1.950 20 30 EDEDLO CC#CCCNC(=O)N(C)C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000349953293 445731952 /nfs/dbraw/zinc/73/19/52/445731952.db2.gz AKJJDGCYBNNZEU-CABCVRRESA-N 1 2 336.411 1.950 20 30 EDEDLO C=CCN(CC(F)(F)F)C(=O)c1cnn(CC[NH+]2CCOCC2)c1 ZINC000360972328 445741775 /nfs/dbraw/zinc/74/17/75/445741775.db2.gz KUNDZIBIYYIDFP-UHFFFAOYSA-N 1 2 346.353 1.406 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356353830 445749470 /nfs/dbraw/zinc/74/94/70/445749470.db2.gz UXEPLKWYTCKHQT-KRWDZBQOSA-N 1 2 332.444 1.707 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356353830 445749474 /nfs/dbraw/zinc/74/94/74/445749474.db2.gz UXEPLKWYTCKHQT-KRWDZBQOSA-N 1 2 332.444 1.707 20 30 EDEDLO Cn1c(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(=O)n(C)c1=O ZINC000363285950 445752108 /nfs/dbraw/zinc/75/21/08/445752108.db2.gz XFEDPOODUKWDCQ-IAGOWNOFSA-N 1 2 338.411 1.356 20 30 EDEDLO Cn1c(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(=O)n(C)c1=O ZINC000363285950 445752109 /nfs/dbraw/zinc/75/21/09/445752109.db2.gz XFEDPOODUKWDCQ-IAGOWNOFSA-N 1 2 338.411 1.356 20 30 EDEDLO C[NH+](C)[C@]1(C(=O)Nc2ccn(CCC#N)n2)CCOc2ccccc21 ZINC000361479674 445780255 /nfs/dbraw/zinc/78/02/55/445780255.db2.gz WZUTZJICAJWVKL-GOSISDBHSA-N 1 2 339.399 1.975 20 30 EDEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cnn(C)c1C#N ZINC000356479707 445813274 /nfs/dbraw/zinc/81/32/74/445813274.db2.gz NDLOXBPLRUHWRF-UHFFFAOYSA-N 1 2 326.360 1.084 20 30 EDEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000364042155 445892184 /nfs/dbraw/zinc/89/21/84/445892184.db2.gz ZXMYPLLBNVPEGK-LBPRGKRZSA-N 1 2 326.322 1.883 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369066287 445906915 /nfs/dbraw/zinc/90/69/15/445906915.db2.gz RFNQFXXFYFXJBB-CXAGYDPISA-N 1 2 340.427 1.876 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369066287 445906921 /nfs/dbraw/zinc/90/69/21/445906921.db2.gz RFNQFXXFYFXJBB-CXAGYDPISA-N 1 2 340.427 1.876 20 30 EDEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000350803497 445910373 /nfs/dbraw/zinc/91/03/73/445910373.db2.gz SCAQPPHCYSLBJW-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000350803497 445910377 /nfs/dbraw/zinc/91/03/77/445910377.db2.gz SCAQPPHCYSLBJW-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO N#C[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@]12C(=O)Nc1ccccc12 ZINC000364677013 445943134 /nfs/dbraw/zinc/94/31/34/445943134.db2.gz NJFBOKDWMUUGBB-JRPNMDOOSA-N 1 2 339.317 1.645 20 30 EDEDLO N#C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@]12C(=O)Nc1ccccc12 ZINC000364677013 445943143 /nfs/dbraw/zinc/94/31/43/445943143.db2.gz NJFBOKDWMUUGBB-JRPNMDOOSA-N 1 2 339.317 1.645 20 30 EDEDLO COCC[C@@](C)(C#N)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000351108329 445993479 /nfs/dbraw/zinc/99/34/79/445993479.db2.gz MDDWKPVNPPTQMG-INIZCTEOSA-N 1 2 348.428 1.528 20 30 EDEDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccn(-c3cccc(C#N)c3)n1)C2 ZINC000369142054 445950897 /nfs/dbraw/zinc/95/08/97/445950897.db2.gz HWTXEYWLWNLUTA-HNNXBMFYSA-N 1 2 346.394 1.994 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)cc1F ZINC000354354032 446137270 /nfs/dbraw/zinc/13/72/70/446137270.db2.gz RGODRCWPTHAIAU-UHFFFAOYSA-N 1 2 327.319 1.259 20 30 EDEDLO C#CC[C@@H](C)NC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000369637425 446138254 /nfs/dbraw/zinc/13/82/54/446138254.db2.gz IXYSKBOJWQTEPX-HIFRSBDPSA-N 1 2 333.436 1.786 20 30 EDEDLO C#CC[C@@H](C)NC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000369637425 446138259 /nfs/dbraw/zinc/13/82/59/446138259.db2.gz IXYSKBOJWQTEPX-HIFRSBDPSA-N 1 2 333.436 1.786 20 30 EDEDLO C[C@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)C1(C#N)CCCCC1 ZINC000370049897 446178788 /nfs/dbraw/zinc/17/87/88/446178788.db2.gz LSVBJACSSITUED-DLBZAZTESA-N 1 2 348.491 1.324 20 30 EDEDLO C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)C1(C#N)CCCCC1 ZINC000370049897 446178790 /nfs/dbraw/zinc/17/87/90/446178790.db2.gz LSVBJACSSITUED-DLBZAZTESA-N 1 2 348.491 1.324 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)C1(C#N)CCCCC1 ZINC000370049900 446179769 /nfs/dbraw/zinc/17/97/69/446179769.db2.gz LSVBJACSSITUED-SJORKVTESA-N 1 2 348.491 1.324 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)C1(C#N)CCCCC1 ZINC000370049900 446179773 /nfs/dbraw/zinc/17/97/73/446179773.db2.gz LSVBJACSSITUED-SJORKVTESA-N 1 2 348.491 1.324 20 30 EDEDLO C=C(C)CS(=O)(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000370114554 446184309 /nfs/dbraw/zinc/18/43/09/446184309.db2.gz UMUVRRJHOWYXOM-CQSZACIVSA-N 1 2 342.465 1.570 20 30 EDEDLO C=C(C)CS(=O)(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000370114554 446184313 /nfs/dbraw/zinc/18/43/13/446184313.db2.gz UMUVRRJHOWYXOM-CQSZACIVSA-N 1 2 342.465 1.570 20 30 EDEDLO COc1cccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)n1 ZINC000374369056 446366788 /nfs/dbraw/zinc/36/67/88/446366788.db2.gz XQUXKURLOAEOMD-ORAYPTAESA-N 1 2 334.379 1.936 20 30 EDEDLO COc1cccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)n1 ZINC000374369056 446366790 /nfs/dbraw/zinc/36/67/90/446366790.db2.gz XQUXKURLOAEOMD-ORAYPTAESA-N 1 2 334.379 1.936 20 30 EDEDLO Cc1nc(C[N@@H+]2CCCN(c3nc(C)cc(C#N)n3)CC2)oc1C ZINC000376221987 446388075 /nfs/dbraw/zinc/38/80/75/446388075.db2.gz WXIUNBFEOUMMGU-UHFFFAOYSA-N 1 2 326.404 1.974 20 30 EDEDLO Cc1nc(C[N@H+]2CCCN(c3nc(C)cc(C#N)n3)CC2)oc1C ZINC000376221987 446388079 /nfs/dbraw/zinc/38/80/79/446388079.db2.gz WXIUNBFEOUMMGU-UHFFFAOYSA-N 1 2 326.404 1.974 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)C1=O ZINC000366895904 446401231 /nfs/dbraw/zinc/40/12/31/446401231.db2.gz KIFDXXQOCPWJFW-CABCVRRESA-N 1 2 329.448 1.928 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)C1=O ZINC000366895904 446401233 /nfs/dbraw/zinc/40/12/33/446401233.db2.gz KIFDXXQOCPWJFW-CABCVRRESA-N 1 2 329.448 1.928 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000367073844 446505396 /nfs/dbraw/zinc/50/53/96/446505396.db2.gz VJIUSWNPRHKRLN-RHSMWYFYSA-N 1 2 336.395 1.894 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+]([C@H](C)c2cc(C(=O)OC)c(C)o2)CC1 ZINC000432944988 446516902 /nfs/dbraw/zinc/51/69/02/446516902.db2.gz WTOHDRXYVJUTGU-CYBMUJFWSA-N 1 2 349.431 1.355 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000367179298 446518892 /nfs/dbraw/zinc/51/88/92/446518892.db2.gz NNRCTQYJDOAGBN-CYBMUJFWSA-N 1 2 337.449 1.119 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000623172219 450433847 /nfs/dbraw/zinc/43/38/47/450433847.db2.gz KLLHOSZJDTVEGE-MRXNPFEDSA-N 1 2 336.480 1.633 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434832793 446662147 /nfs/dbraw/zinc/66/21/47/446662147.db2.gz HCFHNEDVXFCZIQ-UHFFFAOYSA-N 1 2 329.404 1.718 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H](CCC#N)c3ccccc3)C[C@@H]21 ZINC000368200639 446705180 /nfs/dbraw/zinc/70/51/80/446705180.db2.gz DCDXBPRMUIGWBB-IXDOHACOSA-N 1 2 328.416 1.756 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H](CCC#N)c3ccccc3)C[C@@H]21 ZINC000368200639 446705184 /nfs/dbraw/zinc/70/51/84/446705184.db2.gz DCDXBPRMUIGWBB-IXDOHACOSA-N 1 2 328.416 1.756 20 30 EDEDLO N#Cc1ccc(CN2CC[N@@H+](Cc3c[nH]c4nccnc34)CC2=O)cc1 ZINC000368220680 446718456 /nfs/dbraw/zinc/71/84/56/446718456.db2.gz DBQOLHWJURUJPE-UHFFFAOYSA-N 1 2 346.394 1.626 20 30 EDEDLO N#Cc1ccc(CN2CC[N@H+](Cc3c[nH]c4nccnc34)CC2=O)cc1 ZINC000368220680 446718459 /nfs/dbraw/zinc/71/84/59/446718459.db2.gz DBQOLHWJURUJPE-UHFFFAOYSA-N 1 2 346.394 1.626 20 30 EDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CNc1ccc(C#N)cn1 ZINC000435978841 446718895 /nfs/dbraw/zinc/71/88/95/446718895.db2.gz BGGCBGMOUSPSJE-HNNXBMFYSA-N 1 2 338.415 2.335 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000436166135 446726395 /nfs/dbraw/zinc/72/63/95/446726395.db2.gz BCENNFHDWTYUMW-CQSZACIVSA-N 1 2 333.388 1.023 20 30 EDEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437902794 446771889 /nfs/dbraw/zinc/77/18/89/446771889.db2.gz QXIZPSXTTQPANM-LBPRGKRZSA-N 1 2 345.371 1.283 20 30 EDEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437902794 446771896 /nfs/dbraw/zinc/77/18/96/446771896.db2.gz QXIZPSXTTQPANM-LBPRGKRZSA-N 1 2 345.371 1.283 20 30 EDEDLO CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1O ZINC000377141036 446947128 /nfs/dbraw/zinc/94/71/28/446947128.db2.gz VONWBEXPUNPIGI-CHWSQXEVSA-N 1 2 348.432 1.086 20 30 EDEDLO CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1O ZINC000377141036 446947133 /nfs/dbraw/zinc/94/71/33/446947133.db2.gz VONWBEXPUNPIGI-CHWSQXEVSA-N 1 2 348.432 1.086 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CC[NH+](C(COC)COC)CC1 ZINC000412438669 446954949 /nfs/dbraw/zinc/95/49/49/446954949.db2.gz UMEPHYKJUNBWJZ-UHFFFAOYSA-N 1 2 349.431 1.066 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(CC#N)CC1)C1CCOCC1 ZINC000375677162 446969557 /nfs/dbraw/zinc/96/95/57/446969557.db2.gz QBLBUUFXXYXXJA-AWEZNQCLSA-N 1 2 331.420 1.881 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377330716 447069599 /nfs/dbraw/zinc/06/95/99/447069599.db2.gz OSUHQNHXKODAQH-CYBMUJFWSA-N 1 2 325.372 1.517 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377330716 447069607 /nfs/dbraw/zinc/06/96/07/447069607.db2.gz OSUHQNHXKODAQH-CYBMUJFWSA-N 1 2 325.372 1.517 20 30 EDEDLO CCC(=O)N1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000368762725 447090971 /nfs/dbraw/zinc/09/09/71/447090971.db2.gz SPCBIRKBIHUKEK-UHFFFAOYSA-N 1 2 328.416 1.119 20 30 EDEDLO CCC(=O)N1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000368762725 447090977 /nfs/dbraw/zinc/09/09/77/447090977.db2.gz SPCBIRKBIHUKEK-UHFFFAOYSA-N 1 2 328.416 1.119 20 30 EDEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000375934812 447160259 /nfs/dbraw/zinc/16/02/59/447160259.db2.gz UERVXPMVYKSQRS-UHFFFAOYSA-N 1 2 337.383 1.688 20 30 EDEDLO N#Cc1ccc(CN2CC[N@@H+](CCO[C@H]3CCCCO3)CC2=O)cc1 ZINC000376090875 447263122 /nfs/dbraw/zinc/26/31/22/447263122.db2.gz AVVCEFAHAHOVKJ-IBGZPJMESA-N 1 2 343.427 1.746 20 30 EDEDLO N#Cc1ccc(CN2CC[N@H+](CCO[C@H]3CCCCO3)CC2=O)cc1 ZINC000376090875 447263140 /nfs/dbraw/zinc/26/31/40/447263140.db2.gz AVVCEFAHAHOVKJ-IBGZPJMESA-N 1 2 343.427 1.746 20 30 EDEDLO CN(C(=O)c1ncc(C#N)cc1Cl)C(C)(C)C[NH+]1CCOCC1 ZINC000414037450 447273395 /nfs/dbraw/zinc/27/33/95/447273395.db2.gz GGAWEUKAWNSDNT-UHFFFAOYSA-N 1 2 336.823 1.789 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000416413106 447593707 /nfs/dbraw/zinc/59/37/07/447593707.db2.gz BUSNSHVZIGKNTG-AWEZNQCLSA-N 1 2 329.466 1.101 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000416475054 447616031 /nfs/dbraw/zinc/61/60/31/447616031.db2.gz SVNDHRGYEAQMHC-LLVKDONJSA-N 1 2 327.837 1.530 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000416475054 447616036 /nfs/dbraw/zinc/61/60/36/447616036.db2.gz SVNDHRGYEAQMHC-LLVKDONJSA-N 1 2 327.837 1.530 20 30 EDEDLO CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459470596 447678171 /nfs/dbraw/zinc/67/81/71/447678171.db2.gz SRSMMRBFOWMXGX-CABCVRRESA-N 1 2 328.416 1.586 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)c1C#N ZINC000471815241 447814571 /nfs/dbraw/zinc/81/45/71/447814571.db2.gz IEFPCYNZYJKHDN-UHFFFAOYSA-N 1 2 338.415 1.021 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451882839 447773006 /nfs/dbraw/zinc/77/30/06/447773006.db2.gz SPJNEDUMNKYEBF-OLZOCXBDSA-N 1 2 346.397 1.753 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451882839 447773008 /nfs/dbraw/zinc/77/30/08/447773008.db2.gz SPJNEDUMNKYEBF-OLZOCXBDSA-N 1 2 346.397 1.753 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1COC(=O)NC1CC1)C1CC1 ZINC000496439208 447783252 /nfs/dbraw/zinc/78/32/52/447783252.db2.gz WUWOUJKZCCIQFL-MAUKXSAKSA-N 1 2 348.447 1.538 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1COC(=O)NC1CC1)C1CC1 ZINC000496439208 447783254 /nfs/dbraw/zinc/78/32/54/447783254.db2.gz WUWOUJKZCCIQFL-MAUKXSAKSA-N 1 2 348.447 1.538 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451988492 447797945 /nfs/dbraw/zinc/79/79/45/447797945.db2.gz HFQFIBMGBIDNRX-GJZGRUSLSA-N 1 2 349.479 1.453 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000451988492 447797949 /nfs/dbraw/zinc/79/79/49/447797949.db2.gz HFQFIBMGBIDNRX-GJZGRUSLSA-N 1 2 349.479 1.453 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1cnc(C#N)cn1 ZINC000496786174 447912258 /nfs/dbraw/zinc/91/22/58/447912258.db2.gz PKYUTSIYNHXURA-CYBMUJFWSA-N 1 2 332.408 1.311 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CNc1cnc(C#N)cn1 ZINC000496786174 447912263 /nfs/dbraw/zinc/91/22/63/447912263.db2.gz PKYUTSIYNHXURA-CYBMUJFWSA-N 1 2 332.408 1.311 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2CCCOCC)CC1 ZINC000491119036 447928252 /nfs/dbraw/zinc/92/82/52/447928252.db2.gz GPDPVITYKJTYRL-UHFFFAOYSA-N 1 2 331.464 1.412 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497223026 447977680 /nfs/dbraw/zinc/97/76/80/447977680.db2.gz RRQQCJPWCMVCMF-UONOGXRCSA-N 1 2 336.436 1.490 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497223026 447977683 /nfs/dbraw/zinc/97/76/83/447977683.db2.gz RRQQCJPWCMVCMF-UONOGXRCSA-N 1 2 336.436 1.490 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)CC1 ZINC000491242053 447969733 /nfs/dbraw/zinc/96/97/33/447969733.db2.gz NRRQMTVYCNQBSE-INIZCTEOSA-N 1 2 327.428 1.047 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2Cc3ccccc3O[C@@H](C)C2)CC1 ZINC000491242053 447969741 /nfs/dbraw/zinc/96/97/41/447969741.db2.gz NRRQMTVYCNQBSE-INIZCTEOSA-N 1 2 327.428 1.047 20 30 EDEDLO COc1ccc(-n2ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)n2)cc1 ZINC000576287110 448019918 /nfs/dbraw/zinc/01/99/18/448019918.db2.gz JHIUKRWUNZBCTC-QGZVFWFLSA-N 1 2 327.388 1.455 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000491524585 448053825 /nfs/dbraw/zinc/05/38/25/448053825.db2.gz NAJLBYJFXLWIEB-CQSZACIVSA-N 1 2 349.456 1.363 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000491524585 448053829 /nfs/dbraw/zinc/05/38/29/448053829.db2.gz NAJLBYJFXLWIEB-CQSZACIVSA-N 1 2 349.456 1.363 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2csc(C3CCCC3)n2)CC1 ZINC000491555687 448057347 /nfs/dbraw/zinc/05/73/47/448057347.db2.gz SPWOXBCLAWZNNX-UHFFFAOYSA-N 1 2 346.500 1.668 20 30 EDEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCCCC1 ZINC000496978404 448091730 /nfs/dbraw/zinc/09/17/30/448091730.db2.gz FNRFOPSMVLPGRM-OAHLLOKOSA-N 1 2 336.436 1.493 20 30 EDEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N1CCCCCC1 ZINC000496978404 448091735 /nfs/dbraw/zinc/09/17/35/448091735.db2.gz FNRFOPSMVLPGRM-OAHLLOKOSA-N 1 2 336.436 1.493 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(=O)n3cc(C)ccc3n2)C1=O ZINC000531694671 448128759 /nfs/dbraw/zinc/12/87/59/448128759.db2.gz FAGOVPHZOILIKV-HNNXBMFYSA-N 1 2 326.400 1.222 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(=O)n3cc(C)ccc3n2)C1=O ZINC000531694671 448128767 /nfs/dbraw/zinc/12/87/67/448128767.db2.gz FAGOVPHZOILIKV-HNNXBMFYSA-N 1 2 326.400 1.222 20 30 EDEDLO C=CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1c[nH+]cn1C ZINC000507556939 448145088 /nfs/dbraw/zinc/14/50/88/448145088.db2.gz XYYMDRVISMGLMS-UHFFFAOYSA-N 1 2 349.441 1.900 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1nnnn1-c1ccccc1 ZINC000527049454 448147468 /nfs/dbraw/zinc/14/74/68/448147468.db2.gz KHLJUUNPFKEGDX-OLZOCXBDSA-N 1 2 339.403 1.264 20 30 EDEDLO CCN1CCN(CC(=O)Nc2cccc(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000527068375 448151378 /nfs/dbraw/zinc/15/13/78/448151378.db2.gz XRWXTLMJSWKSLC-INIZCTEOSA-N 1 2 338.415 1.599 20 30 EDEDLO C=C1CC[NH+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC1 ZINC000561168718 448232953 /nfs/dbraw/zinc/23/29/53/448232953.db2.gz KQNJEUYPGOJHFP-UHFFFAOYSA-N 1 2 337.445 1.494 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000562026526 448241149 /nfs/dbraw/zinc/24/11/49/448241149.db2.gz WAXODPNEEIIGRO-HZPDHXFCSA-N 1 2 337.464 1.171 20 30 EDEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCOC[C@H]1CO)CCC2 ZINC000591033009 448240548 /nfs/dbraw/zinc/24/05/48/448240548.db2.gz QLDOXQBKGMXPRX-LLVKDONJSA-N 1 2 335.429 1.130 20 30 EDEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCOC[C@H]1CO)CCC2 ZINC000591033009 448240550 /nfs/dbraw/zinc/24/05/50/448240550.db2.gz QLDOXQBKGMXPRX-LLVKDONJSA-N 1 2 335.429 1.130 20 30 EDEDLO C#Cc1cccc(N(CC(=O)NC)C(=O)/C=C\c2[nH+]ccn2CC)c1 ZINC000492488824 448223685 /nfs/dbraw/zinc/22/36/85/448223685.db2.gz KQOVDBIUWRTBGC-KTKRTIGZSA-N 1 2 336.395 1.677 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000562724853 448267070 /nfs/dbraw/zinc/26/70/70/448267070.db2.gz QMGZEEUPMHXLQS-HUUCEWRRSA-N 1 2 325.453 1.378 20 30 EDEDLO COC(=O)c1cccc(C[NH+]2CCC(C3N=NC(=O)O3)CC2)c1C#N ZINC000516394898 448417340 /nfs/dbraw/zinc/41/73/40/448417340.db2.gz JYMJJSVFHZRSHG-UHFFFAOYSA-N 1 2 342.355 1.813 20 30 EDEDLO Cn1ncc2c1nc(N)[nH+]c2NCCSCc1ccccc1C#N ZINC000572662247 448434288 /nfs/dbraw/zinc/43/42/88/448434288.db2.gz FHJSKDOTXBGBOV-UHFFFAOYSA-N 1 2 339.428 2.162 20 30 EDEDLO N#Cc1ccc(CN2CCC[C@@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000566300480 448441026 /nfs/dbraw/zinc/44/10/26/448441026.db2.gz GQJKCGFSHBSLRP-MRXNPFEDSA-N 1 2 330.388 1.763 20 30 EDEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000534314509 448444461 /nfs/dbraw/zinc/44/44/61/448444461.db2.gz JBOXRYWOPQBUJB-DLBZAZTESA-N 1 2 348.468 1.698 20 30 EDEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1(O)CCS(=O)(=O)CC1 ZINC000534314509 448444464 /nfs/dbraw/zinc/44/44/64/448444464.db2.gz JBOXRYWOPQBUJB-DLBZAZTESA-N 1 2 348.468 1.698 20 30 EDEDLO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cl)cc2O)c1C#N ZINC000534792326 448467932 /nfs/dbraw/zinc/46/79/32/448467932.db2.gz QFZDBIQBVHCDKC-UHFFFAOYSA-N 1 2 333.779 2.045 20 30 EDEDLO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000516782134 448474587 /nfs/dbraw/zinc/47/45/87/448474587.db2.gz ILSOOABNZVRZLY-MRXNPFEDSA-N 1 2 331.416 1.101 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(CO)ccc3F)CC2)c1 ZINC000528349047 448495417 /nfs/dbraw/zinc/49/54/17/448495417.db2.gz GAKCCBJPEHTGME-UHFFFAOYSA-N 1 2 326.375 1.907 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCC(=O)N1CCc2sccc2C1 ZINC000572934024 448497844 /nfs/dbraw/zinc/49/78/44/448497844.db2.gz PORLPVBQZVYZEN-KRWDZBQOSA-N 1 2 348.472 1.373 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2cccc(O)c2)CC1 ZINC000538150187 448578954 /nfs/dbraw/zinc/57/89/54/448578954.db2.gz NEZAGHVBXTVHHJ-GOSISDBHSA-N 1 2 344.459 1.516 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2cccc(O)c2)CC1 ZINC000538150187 448578961 /nfs/dbraw/zinc/57/89/61/448578961.db2.gz NEZAGHVBXTVHHJ-GOSISDBHSA-N 1 2 344.459 1.516 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000528497550 448556101 /nfs/dbraw/zinc/55/61/01/448556101.db2.gz RSKMSUBNJVKFHL-KGLIPLIRSA-N 1 2 344.371 1.266 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000528497550 448556109 /nfs/dbraw/zinc/55/61/09/448556109.db2.gz RSKMSUBNJVKFHL-KGLIPLIRSA-N 1 2 344.371 1.266 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)NCCCCn2cc[nH+]c2)c(F)c1 ZINC000539376260 448611524 /nfs/dbraw/zinc/61/15/24/448611524.db2.gz DMCGFWADXTVXHJ-UHFFFAOYSA-N 1 2 340.355 1.792 20 30 EDEDLO CC#CC[C@@H](CO)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000592001005 448618112 /nfs/dbraw/zinc/61/81/12/448618112.db2.gz ZNIGXOFGJGKWNA-HNNXBMFYSA-N 1 2 333.388 1.613 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000566957900 448591591 /nfs/dbraw/zinc/59/15/91/448591591.db2.gz VFKHRKPFVDPRKS-OKZBNKHCSA-N 1 2 338.411 1.220 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000566957900 448591593 /nfs/dbraw/zinc/59/15/93/448591593.db2.gz VFKHRKPFVDPRKS-OKZBNKHCSA-N 1 2 338.411 1.220 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528776072 448670521 /nfs/dbraw/zinc/67/05/21/448670521.db2.gz VJCXGGLGHBUAMY-NYTXWWLZSA-N 1 2 341.477 1.081 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528776072 448670528 /nfs/dbraw/zinc/67/05/28/448670528.db2.gz VJCXGGLGHBUAMY-NYTXWWLZSA-N 1 2 341.477 1.081 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000592121179 448695795 /nfs/dbraw/zinc/69/57/95/448695795.db2.gz NBIRAWJJNCBHMP-ZDUSSCGKSA-N 1 2 349.460 1.501 20 30 EDEDLO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C)(C#N)CC3)C2=O)cn1 ZINC000541859056 448696823 /nfs/dbraw/zinc/69/68/23/448696823.db2.gz VPWYHSJATJPBLV-CYBMUJFWSA-N 1 2 328.372 1.348 20 30 EDEDLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149123 448708934 /nfs/dbraw/zinc/70/89/34/448708934.db2.gz JEFREVRGPGFXAL-BZNIZROVSA-N 1 2 334.351 1.213 20 30 EDEDLO C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149123 448708941 /nfs/dbraw/zinc/70/89/41/448708941.db2.gz JEFREVRGPGFXAL-BZNIZROVSA-N 1 2 334.351 1.213 20 30 EDEDLO CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149774 448710711 /nfs/dbraw/zinc/71/07/11/448710711.db2.gz WFHWYCIVQNVKOD-LJQANCHMSA-N 1 2 345.443 1.578 20 30 EDEDLO CC(C)OCc1ccc(CNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592149774 448710714 /nfs/dbraw/zinc/71/07/14/448710714.db2.gz WFHWYCIVQNVKOD-LJQANCHMSA-N 1 2 345.443 1.578 20 30 EDEDLO C[C@H]1CCn2ncc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)c2C1 ZINC000573923606 448748873 /nfs/dbraw/zinc/74/88/73/448748873.db2.gz QDNVYNPJIOQZIK-HNNXBMFYSA-N 1 2 345.447 1.153 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CNc1ccc(C#N)cc1 ZINC000587971387 448848315 /nfs/dbraw/zinc/84/83/15/448848315.db2.gz ISJRTKHPRYOLAT-PBHICJAKSA-N 1 2 328.416 1.292 20 30 EDEDLO CC(C)Cn1nccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000592504605 448868286 /nfs/dbraw/zinc/86/82/86/448868286.db2.gz KRMTWVJTVWNSAR-OAHLLOKOSA-N 1 2 339.447 1.911 20 30 EDEDLO CC(C)Cn1nccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000592504605 448868297 /nfs/dbraw/zinc/86/82/97/448868297.db2.gz KRMTWVJTVWNSAR-OAHLLOKOSA-N 1 2 339.447 1.911 20 30 EDEDLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC000568415550 448869368 /nfs/dbraw/zinc/86/93/68/448869368.db2.gz XFTODAJXPGVQTD-HUUCEWRRSA-N 1 2 342.447 1.165 20 30 EDEDLO N#CC[C@@]1(O)CCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000592523306 448877264 /nfs/dbraw/zinc/87/72/64/448877264.db2.gz YDHADIMMUOXACC-CQSZACIVSA-N 1 2 335.205 1.947 20 30 EDEDLO Cc1nc(NCc2cccc(C(=O)N[C@]3(C#N)CCOC3)c2)cc[nH+]1 ZINC000547489760 448888671 /nfs/dbraw/zinc/88/86/71/448888671.db2.gz QRNFAHBRJSAPPR-SFHVURJKSA-N 1 2 337.383 1.810 20 30 EDEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)NCc3ccccc3)CC2)C1 ZINC000568988190 448949896 /nfs/dbraw/zinc/94/98/96/448949896.db2.gz YHDNJMSNVITURJ-DLBZAZTESA-N 1 2 348.472 1.331 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000580566872 448951998 /nfs/dbraw/zinc/95/19/98/448951998.db2.gz IAUCBFIRHQOLJS-QAPCUYQASA-N 1 2 337.427 1.997 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000580566872 448952004 /nfs/dbraw/zinc/95/20/04/448952004.db2.gz IAUCBFIRHQOLJS-QAPCUYQASA-N 1 2 337.427 1.997 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000569107157 448961844 /nfs/dbraw/zinc/96/18/44/448961844.db2.gz WKIHFYQVIICWGY-QGZVFWFLSA-N 1 2 330.363 1.983 20 30 EDEDLO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595617539 449082463 /nfs/dbraw/zinc/08/24/63/449082463.db2.gz WSIMLNCYYXCEGQ-CQSZACIVSA-N 1 2 328.416 1.953 20 30 EDEDLO CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595617539 449082469 /nfs/dbraw/zinc/08/24/69/449082469.db2.gz WSIMLNCYYXCEGQ-CQSZACIVSA-N 1 2 328.416 1.953 20 30 EDEDLO COC(=O)[C@H]([NH2+]CCC(=O)N(C)CCC#N)[C@@H]1CCC[C@H](OC)C1 ZINC000575127941 449043212 /nfs/dbraw/zinc/04/32/12/449043212.db2.gz VRDNZCOWECLPQR-IJEWVQPXSA-N 1 2 339.436 1.085 20 30 EDEDLO COc1ccnc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000575175438 449054764 /nfs/dbraw/zinc/05/47/64/449054764.db2.gz YEVOCOBQJCHUPN-CQSZACIVSA-N 1 2 328.372 1.081 20 30 EDEDLO COc1cc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ccc1C#N ZINC000595635158 449092965 /nfs/dbraw/zinc/09/29/65/449092965.db2.gz KTZJUDKWMYXQPL-INIZCTEOSA-N 1 2 344.415 1.183 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000548859108 449106654 /nfs/dbraw/zinc/10/66/54/449106654.db2.gz NLFSJKNVYQQERW-DZGCQCFKSA-N 1 2 347.444 1.578 20 30 EDEDLO Cc1onc(CC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)c1C#N ZINC000597844728 449119443 /nfs/dbraw/zinc/11/94/43/449119443.db2.gz BIHVYVAJCYFPDA-CQSZACIVSA-N 1 2 331.376 1.007 20 30 EDEDLO C[C@@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000593154220 449154128 /nfs/dbraw/zinc/15/41/28/449154128.db2.gz AIIGXQKYFVEZQM-WBMJQRKESA-N 1 2 337.445 1.154 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1nc(N2CCCC2)ncc1Cl ZINC000593155361 449154739 /nfs/dbraw/zinc/15/47/39/449154739.db2.gz QUCFJEQQQMUFOR-HNNXBMFYSA-N 1 2 336.827 1.304 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000590390303 449144998 /nfs/dbraw/zinc/14/49/98/449144998.db2.gz XNMQCXXVTVWBDH-HNNXBMFYSA-N 1 2 348.472 1.177 20 30 EDEDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCN(CCC#N)CC1 ZINC000611175028 449201326 /nfs/dbraw/zinc/20/13/26/449201326.db2.gz VMLXRUPGJZTWEO-OAHLLOKOSA-N 1 2 332.423 1.704 20 30 EDEDLO CSc1cccnc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000593275459 449202826 /nfs/dbraw/zinc/20/28/26/449202826.db2.gz UFFAPDLUTOVYEW-UHFFFAOYSA-N 1 2 349.460 1.883 20 30 EDEDLO N#CCc1ccccc1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601895632 449210442 /nfs/dbraw/zinc/21/04/42/449210442.db2.gz ZFJHHIMOTZEFPH-UHFFFAOYSA-N 1 2 335.411 1.543 20 30 EDEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601853943 449185828 /nfs/dbraw/zinc/18/58/28/449185828.db2.gz GXOYJBZRPVLFEK-FZKCQIBNSA-N 1 2 344.463 1.984 20 30 EDEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601853943 449185832 /nfs/dbraw/zinc/18/58/32/449185832.db2.gz GXOYJBZRPVLFEK-FZKCQIBNSA-N 1 2 344.463 1.984 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CC(Cc3cccs3)C2)nc1 ZINC000601966307 449250230 /nfs/dbraw/zinc/25/02/30/449250230.db2.gz ZATNLXRWYVUMAH-UHFFFAOYSA-N 1 2 347.465 1.963 20 30 EDEDLO N#C[C@H](CCc1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000598151023 449259313 /nfs/dbraw/zinc/25/93/13/449259313.db2.gz NFNDEOYHWOSBSZ-ZWKOTPCHSA-N 1 2 327.428 1.692 20 30 EDEDLO CS(=O)(=O)N1CC[NH+](CCNc2cc(Cl)ccc2C#N)CC1 ZINC000611370511 449274007 /nfs/dbraw/zinc/27/40/07/449274007.db2.gz VBNPVNORDBJJDF-UHFFFAOYSA-N 1 2 342.852 1.201 20 30 EDEDLO COCC[N@@H+](Cc1ccc(C#N)cc1OC)C[C@H](O)C(F)(F)F ZINC000594017710 449325932 /nfs/dbraw/zinc/32/59/32/449325932.db2.gz LQGZGBSENGULTB-AWEZNQCLSA-N 1 2 332.322 1.938 20 30 EDEDLO COCC[N@H+](Cc1ccc(C#N)cc1OC)C[C@H](O)C(F)(F)F ZINC000594017710 449325934 /nfs/dbraw/zinc/32/59/34/449325934.db2.gz LQGZGBSENGULTB-AWEZNQCLSA-N 1 2 332.322 1.938 20 30 EDEDLO N#CCCN1CC[NH+](Cc2ccc(OCC(F)(F)F)nn2)CC1 ZINC000593968976 449309154 /nfs/dbraw/zinc/30/91/54/449309154.db2.gz QNKJROSXGGRMDO-UHFFFAOYSA-N 1 2 329.326 1.449 20 30 EDEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2cc(C#N)cnn2)c2ccc(Cl)cc2)C1 ZINC000596180213 449401256 /nfs/dbraw/zinc/40/12/56/449401256.db2.gz YVAXELCOXNRBJR-RDJZCZTQSA-N 1 2 343.818 2.485 20 30 EDEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2cc(C#N)cnn2)c2ccc(Cl)cc2)C1 ZINC000596180213 449401262 /nfs/dbraw/zinc/40/12/62/449401262.db2.gz YVAXELCOXNRBJR-RDJZCZTQSA-N 1 2 343.818 2.485 20 30 EDEDLO C=CCSCCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000596214698 449420330 /nfs/dbraw/zinc/42/03/30/449420330.db2.gz GGBWMMVBUBNORF-UHFFFAOYSA-N 1 2 327.494 1.659 20 30 EDEDLO COCCc1ccc(OC[C@H](O)CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000596311176 449468628 /nfs/dbraw/zinc/46/86/28/449468628.db2.gz LZOOODOYRZSBJZ-QGZVFWFLSA-N 1 2 341.411 1.724 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602438330 449586685 /nfs/dbraw/zinc/58/66/85/449586685.db2.gz HDRVZJPYPUEDLG-INIZCTEOSA-N 1 2 341.459 1.472 20 30 EDEDLO N#CCN1CC[NH+](Cc2cnn3cc(Br)cnc23)CC1 ZINC000602456403 449603495 /nfs/dbraw/zinc/60/34/95/449603495.db2.gz XAFFMXGGVYXSJW-UHFFFAOYSA-N 1 2 335.209 1.133 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612166791 449595492 /nfs/dbraw/zinc/59/54/92/449595492.db2.gz ZBPGXCTZOSBNOB-WMZOPIPTSA-N 1 2 331.464 1.304 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612166791 449595498 /nfs/dbraw/zinc/59/54/98/449595498.db2.gz ZBPGXCTZOSBNOB-WMZOPIPTSA-N 1 2 331.464 1.304 20 30 EDEDLO Cn1ccc2ccc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)cc21 ZINC000601024085 449659945 /nfs/dbraw/zinc/65/99/45/449659945.db2.gz QNWWASCEMDBZBJ-UHFFFAOYSA-N 1 2 340.427 1.866 20 30 EDEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCCC#N)CC1 ZINC000612295309 449633744 /nfs/dbraw/zinc/63/37/44/449633744.db2.gz JOMMLDLQXFPRNU-UHFFFAOYSA-N 1 2 329.404 1.499 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2c[nH+]c[nH]2)cc1 ZINC000596876939 449701713 /nfs/dbraw/zinc/70/17/13/449701713.db2.gz NXIPOIUODCQHNF-LLVKDONJSA-N 1 2 347.400 1.759 20 30 EDEDLO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2c[nH]c[nH+]2)cc1 ZINC000596876939 449701716 /nfs/dbraw/zinc/70/17/16/449701716.db2.gz NXIPOIUODCQHNF-LLVKDONJSA-N 1 2 347.400 1.759 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)CC2)nc1 ZINC000596887913 449706241 /nfs/dbraw/zinc/70/62/41/449706241.db2.gz QJOIWXYOXBNPPI-CQSZACIVSA-N 1 2 336.399 1.130 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)CC2)nc1 ZINC000596887913 449706253 /nfs/dbraw/zinc/70/62/53/449706253.db2.gz QJOIWXYOXBNPPI-CQSZACIVSA-N 1 2 336.399 1.130 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)[nH]c1C ZINC000602672569 449742262 /nfs/dbraw/zinc/74/22/62/449742262.db2.gz MPQVGISZPVAECX-UHFFFAOYSA-N 1 2 339.399 1.699 20 30 EDEDLO C[C@@H](CC#N)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000596971250 449742984 /nfs/dbraw/zinc/74/29/84/449742984.db2.gz UQFNCJPDKPFXNR-HNNXBMFYSA-N 1 2 331.416 1.564 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000614662891 449747414 /nfs/dbraw/zinc/74/74/14/449747414.db2.gz SFRVYGITHXZAPB-RDJZCZTQSA-N 1 2 335.411 1.855 20 30 EDEDLO N#Cc1ccc(CCn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)cc1 ZINC000594897704 449799583 /nfs/dbraw/zinc/79/95/83/449799583.db2.gz UUSOYSTUVBYCHS-UHFFFAOYSA-N 1 2 348.406 1.667 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000602848412 449855621 /nfs/dbraw/zinc/85/56/21/449855621.db2.gz NGHQSSMGMAVGIQ-HZSPNIEDSA-N 1 2 331.416 1.885 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000602848412 449855626 /nfs/dbraw/zinc/85/56/26/449855626.db2.gz NGHQSSMGMAVGIQ-HZSPNIEDSA-N 1 2 331.416 1.885 20 30 EDEDLO CCC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)OCC ZINC000599282854 449858049 /nfs/dbraw/zinc/85/80/49/449858049.db2.gz NOSQTXUXCRSVFV-UHFFFAOYSA-N 1 2 342.395 1.561 20 30 EDEDLO CCC[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)OCC ZINC000599282854 449858054 /nfs/dbraw/zinc/85/80/54/449858054.db2.gz NOSQTXUXCRSVFV-UHFFFAOYSA-N 1 2 342.395 1.561 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854274 449860182 /nfs/dbraw/zinc/86/01/82/449860182.db2.gz BABWKBVLOLCJFZ-RBSFLKMASA-N 1 2 325.416 1.803 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@@H](C)N1CC#N ZINC000602855351 449861987 /nfs/dbraw/zinc/86/19/87/449861987.db2.gz HAAZHDIHYXZTOU-HZPDHXFCSA-N 1 2 331.464 1.589 20 30 EDEDLO COc1ccc(NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1 ZINC000602856421 449864023 /nfs/dbraw/zinc/86/40/23/449864023.db2.gz LKNTWWSFYUIWQC-OKILXGFUSA-N 1 2 346.431 1.560 20 30 EDEDLO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1 ZINC000602856421 449864033 /nfs/dbraw/zinc/86/40/33/449864033.db2.gz LKNTWWSFYUIWQC-OKILXGFUSA-N 1 2 346.431 1.560 20 30 EDEDLO CCCN(CC(=O)Nc1ccccc1OC)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602861036 449869468 /nfs/dbraw/zinc/86/94/68/449869468.db2.gz FEOUVLKUNSNVRK-AWEZNQCLSA-N 1 2 346.431 1.764 20 30 EDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000602869927 449879396 /nfs/dbraw/zinc/87/93/96/449879396.db2.gz QPXTVMXAROCUHL-ZIAGYGMSSA-N 1 2 331.445 1.349 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000602925090 449926255 /nfs/dbraw/zinc/92/62/55/449926255.db2.gz VETUVJGTSUSRQZ-KZNAEPCWSA-N 1 2 337.379 1.209 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000602925090 449926262 /nfs/dbraw/zinc/92/62/62/449926262.db2.gz VETUVJGTSUSRQZ-KZNAEPCWSA-N 1 2 337.379 1.209 20 30 EDEDLO C[C@](C#N)(NC(=O)C[NH+]1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000608779923 449935008 /nfs/dbraw/zinc/93/50/08/449935008.db2.gz UWPYNABEHXWQPW-LJQANCHMSA-N 1 2 337.427 1.489 20 30 EDEDLO COC(=O)[C@@H](Cc1cccc(OC)c1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000602945135 449946315 /nfs/dbraw/zinc/94/63/15/449946315.db2.gz OWOFDCQDWGTJHZ-GOEBONIOSA-N 1 2 334.416 1.670 20 30 EDEDLO COC(=O)[C@@H](Cc1cccc(OC)c1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000602945133 449946411 /nfs/dbraw/zinc/94/64/11/449946411.db2.gz OWOFDCQDWGTJHZ-GDBMZVCRSA-N 1 2 334.416 1.670 20 30 EDEDLO COC[C@@]1(C(=O)OC)CCCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000602916335 449919216 /nfs/dbraw/zinc/91/92/16/449919216.db2.gz OZFRMMAFRXYVMD-GOSISDBHSA-N 1 2 332.400 1.981 20 30 EDEDLO COC[C@@]1(C(=O)OC)CCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000602916335 449919218 /nfs/dbraw/zinc/91/92/18/449919218.db2.gz OZFRMMAFRXYVMD-GOSISDBHSA-N 1 2 332.400 1.981 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599439646 449976270 /nfs/dbraw/zinc/97/62/70/449976270.db2.gz ZZVJDHXWTCPAPD-AWEZNQCLSA-N 1 2 338.415 1.426 20 30 EDEDLO C[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602975009 449976842 /nfs/dbraw/zinc/97/68/42/449976842.db2.gz XGSUHLSWLZPAHS-GJZGRUSLSA-N 1 2 344.415 1.188 20 30 EDEDLO C[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)[C@H]1CCC[C@H]1C#N ZINC000602975009 449976844 /nfs/dbraw/zinc/97/68/44/449976844.db2.gz XGSUHLSWLZPAHS-GJZGRUSLSA-N 1 2 344.415 1.188 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599455171 449987390 /nfs/dbraw/zinc/98/73/90/449987390.db2.gz IFOZSFCEWWQQJM-ZBFHGGJFSA-N 1 2 337.782 1.935 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599455171 449987394 /nfs/dbraw/zinc/98/73/94/449987394.db2.gz IFOZSFCEWWQQJM-ZBFHGGJFSA-N 1 2 337.782 1.935 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000613062728 450005507 /nfs/dbraw/zinc/00/55/07/450005507.db2.gz VKJJGCQJGOLSPW-DYVFJYSZSA-N 1 2 332.452 1.710 20 30 EDEDLO C[C@H]1CN(CC[NH+]2CCN(c3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000595301026 450013829 /nfs/dbraw/zinc/01/38/29/450013829.db2.gz HOTUWSAFQNOJIT-IRXDYDNUSA-N 1 2 328.460 1.789 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000597621499 450150948 /nfs/dbraw/zinc/15/09/48/450150948.db2.gz KQKFEDYLESILCM-UHFFFAOYSA-N 1 2 329.360 1.759 20 30 EDEDLO C[C@@]1(C#N)CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000595466585 450160477 /nfs/dbraw/zinc/16/04/77/450160477.db2.gz VQPIHDIEABOTSE-JKSUJKDBSA-N 1 2 338.477 1.139 20 30 EDEDLO CCN1CC[C@H]([NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O ZINC000595465485 450161084 /nfs/dbraw/zinc/16/10/84/450161084.db2.gz OECOLYPGPFNFNH-INIZCTEOSA-N 1 2 332.835 1.954 20 30 EDEDLO N#Cc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)cc1 ZINC000597639488 450163394 /nfs/dbraw/zinc/16/33/94/450163394.db2.gz AILCZVBYHQLRNL-MRXNPFEDSA-N 1 2 339.399 1.512 20 30 EDEDLO N#Cc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)cc1 ZINC000597639488 450163398 /nfs/dbraw/zinc/16/33/98/450163398.db2.gz AILCZVBYHQLRNL-MRXNPFEDSA-N 1 2 339.399 1.512 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597648867 450169558 /nfs/dbraw/zinc/16/95/58/450169558.db2.gz SBNKVVDPIYXIFK-DGCLKSJQSA-N 1 2 335.354 1.772 20 30 EDEDLO CC(C)(C#N)CC(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000601641787 450135709 /nfs/dbraw/zinc/13/57/09/450135709.db2.gz BMWAVNGQGPWJOK-UHFFFAOYSA-N 1 2 347.484 1.807 20 30 EDEDLO C[C@H]1CN(CC[NH+]2CCN(c3cccc(C#N)n3)CC2)C[C@H](C)O1 ZINC000595435696 450141568 /nfs/dbraw/zinc/14/15/68/450141568.db2.gz UAXXMLWNBBYVFL-HOTGVXAUSA-N 1 2 329.448 1.184 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)C[C@@H]1C[N@H+](C)CCO1 ZINC000601739327 450203666 /nfs/dbraw/zinc/20/36/66/450203666.db2.gz QZTKQIRBVLROSX-FUHWJXTLSA-N 1 2 345.443 1.751 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)C[C@@H]1C[N@@H+](C)CCO1 ZINC000601739327 450203670 /nfs/dbraw/zinc/20/36/70/450203670.db2.gz QZTKQIRBVLROSX-FUHWJXTLSA-N 1 2 345.443 1.751 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC000597713686 450215935 /nfs/dbraw/zinc/21/59/35/450215935.db2.gz FRYZCYCTEUKGBH-QGZVFWFLSA-N 1 2 346.456 1.939 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1C#N ZINC000597713686 450215939 /nfs/dbraw/zinc/21/59/39/450215939.db2.gz FRYZCYCTEUKGBH-QGZVFWFLSA-N 1 2 346.456 1.939 20 30 EDEDLO C=C[C@](C)(O)C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000613599726 450242990 /nfs/dbraw/zinc/24/29/90/450242990.db2.gz VZKNCRCKGKIMHS-AWEZNQCLSA-N 1 2 329.322 1.686 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(NC(=O)COC)CC2)c1C ZINC000613688046 450269660 /nfs/dbraw/zinc/26/96/60/450269660.db2.gz FTAXPUXGRANYEU-UHFFFAOYSA-N 1 2 347.459 1.701 20 30 EDEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1CC#N)c1ccco1 ZINC000619571857 450508639 /nfs/dbraw/zinc/50/86/39/450508639.db2.gz DYRFBXXJCLAAEC-AWEZNQCLSA-N 1 2 333.413 1.927 20 30 EDEDLO C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)C3(C)CC(=C)C3)CC[N@H+]2C)C1 ZINC000633564032 450917473 /nfs/dbraw/zinc/91/74/73/450917473.db2.gz LHOYUCRKHCXFTI-MRXNPFEDSA-N 1 2 345.487 1.958 20 30 EDEDLO C=C1CC(C)(C(=O)NC[C@@H]2CN(C(=O)C3(C)CC(=C)C3)CC[N@@H+]2C)C1 ZINC000633564032 450917478 /nfs/dbraw/zinc/91/74/78/450917478.db2.gz LHOYUCRKHCXFTI-MRXNPFEDSA-N 1 2 345.487 1.958 20 30 EDEDLO C=CC(C)(C)CCNC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000628311534 451214475 /nfs/dbraw/zinc/21/44/75/451214475.db2.gz PSGOURVUFNMBQC-GJZGRUSLSA-N 1 2 348.447 1.427 20 30 EDEDLO C=C1CC(C)(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000630632762 451288887 /nfs/dbraw/zinc/28/88/87/451288887.db2.gz KMQPVDUXHSEBAR-UHFFFAOYSA-N 1 2 326.404 1.368 20 30 EDEDLO C=CC(C)(C)CCNC(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000636665950 451397792 /nfs/dbraw/zinc/39/77/92/451397792.db2.gz SAPZZHLJAAKQJE-UHFFFAOYSA-N 1 2 346.353 1.780 20 30 EDEDLO C=CCCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000636834996 451544106 /nfs/dbraw/zinc/54/41/06/451544106.db2.gz WGSQDGRSHVZZAU-UHFFFAOYSA-N 1 2 348.472 1.333 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccnn2C2CCCC2)nn1 ZINC000640847400 451633403 /nfs/dbraw/zinc/63/34/03/451633403.db2.gz GSLAOLUVNHQUGO-UHFFFAOYSA-N 1 2 341.419 1.341 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2nc3ccccc3s2)nn1 ZINC000641030676 451735160 /nfs/dbraw/zinc/73/51/60/451735160.db2.gz FHYLRVSMOMBTES-UHFFFAOYSA-N 1 2 340.412 1.639 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCN(c3cccc(F)c3)C2=O)nn1 ZINC000641056676 451742765 /nfs/dbraw/zinc/74/27/65/451742765.db2.gz FWVYLAYRTIGBFC-QGZVFWFLSA-N 1 2 341.390 1.898 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)c2ncc(Br)cn2)nn1 ZINC000641178680 451770873 /nfs/dbraw/zinc/77/08/73/451770873.db2.gz XAMDFLHPXZDGPK-JTQLQIEISA-N 1 2 335.209 1.553 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2ccccc2Cl)nn1 ZINC000641205514 451781070 /nfs/dbraw/zinc/78/10/70/451781070.db2.gz KSMYSJZUVOPFII-AWEZNQCLSA-N 1 2 334.807 1.484 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)nn1 ZINC000653704274 452084516 /nfs/dbraw/zinc/08/45/16/452084516.db2.gz DOBMTAYHEAGEMQ-SFHVURJKSA-N 1 2 339.443 1.787 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)nn1 ZINC000653704274 452084522 /nfs/dbraw/zinc/08/45/22/452084522.db2.gz DOBMTAYHEAGEMQ-SFHVURJKSA-N 1 2 339.443 1.787 20 30 EDEDLO Cc1nnc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)n1C ZINC000639977773 452311177 /nfs/dbraw/zinc/31/11/77/452311177.db2.gz SFMVJNHGGZTTHG-UHFFFAOYSA-N 1 2 329.835 1.951 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000666239672 452710542 /nfs/dbraw/zinc/71/05/42/452710542.db2.gz IRLKZEBJEFCLAR-CALCHBBNSA-N 1 2 345.447 1.930 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662114251 452851704 /nfs/dbraw/zinc/85/17/04/452851704.db2.gz UUKIAXWUQMZZLZ-ROUUACIJSA-N 1 2 346.475 1.039 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662114251 452851713 /nfs/dbraw/zinc/85/17/13/452851713.db2.gz UUKIAXWUQMZZLZ-ROUUACIJSA-N 1 2 346.475 1.039 20 30 EDEDLO C=CCOCCCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000658614059 453187905 /nfs/dbraw/zinc/18/79/05/453187905.db2.gz OJDGTISOXJAYBK-UHFFFAOYSA-N 1 2 342.399 1.735 20 30 EDEDLO C=CCn1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)nn1 ZINC000648893984 453371050 /nfs/dbraw/zinc/37/10/50/453371050.db2.gz DTBWSIHXUFNQFF-CQSZACIVSA-N 1 2 331.807 1.904 20 30 EDEDLO COCC#CC[N@H+](C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000677818928 487174919 /nfs/dbraw/zinc/17/49/19/487174919.db2.gz LNOAPIWIXCYKHR-KRWDZBQOSA-N 1 2 332.400 1.391 20 30 EDEDLO COCC#CC[N@@H+](C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000677818928 487174920 /nfs/dbraw/zinc/17/49/20/487174920.db2.gz LNOAPIWIXCYKHR-KRWDZBQOSA-N 1 2 332.400 1.391 20 30 EDEDLO Cc1oc(-c2ccccc2)nc1CO[NH+]=C(N)CN1CCOCC1 ZINC000111182080 534528354 /nfs/dbraw/zinc/52/83/54/534528354.db2.gz KEVAZXCBDOOEAA-UHFFFAOYSA-N 1 2 330.388 1.771 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000024239742 534861818 /nfs/dbraw/zinc/86/18/18/534861818.db2.gz FXPCMEDWWJKUAZ-CYBMUJFWSA-N 1 2 334.395 1.348 20 30 EDEDLO C=CC[N@@H+](CCNS(=O)(=O)c1cnn(C)c1)Cc1cccs1 ZINC000173460517 526274928 /nfs/dbraw/zinc/27/49/28/526274928.db2.gz XLRZZZBPALNURU-UHFFFAOYSA-N 1 2 340.474 1.448 20 30 EDEDLO C=CC[N@H+](CCNS(=O)(=O)c1cnn(C)c1)Cc1cccs1 ZINC000173460517 526274933 /nfs/dbraw/zinc/27/49/33/526274933.db2.gz XLRZZZBPALNURU-UHFFFAOYSA-N 1 2 340.474 1.448 20 30 EDEDLO C=CC[N@H+](Cc1c[nH]nc1-c1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361556 526333113 /nfs/dbraw/zinc/33/31/13/526333113.db2.gz BOGHOVWFABGXOX-HNNXBMFYSA-N 1 2 332.429 1.647 20 30 EDEDLO C=CC[N@@H+](Cc1c[nH]nc1-c1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000092361556 526333117 /nfs/dbraw/zinc/33/31/17/526333117.db2.gz BOGHOVWFABGXOX-HNNXBMFYSA-N 1 2 332.429 1.647 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000124615696 527448623 /nfs/dbraw/zinc/44/86/23/527448623.db2.gz HJXVWNBAENSXMZ-INIZCTEOSA-N 1 2 334.379 1.397 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000131266997 527451090 /nfs/dbraw/zinc/45/10/90/527451090.db2.gz NSSSEIZQTGKKEF-HNNXBMFYSA-N 1 2 336.395 1.524 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000347588808 536607464 /nfs/dbraw/zinc/60/74/64/536607464.db2.gz RJPRDGOYBBVAJL-ZFWWWQNUSA-N 1 2 333.388 1.241 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000347588808 536607469 /nfs/dbraw/zinc/60/74/69/536607469.db2.gz RJPRDGOYBBVAJL-ZFWWWQNUSA-N 1 2 333.388 1.241 20 30 EDEDLO C=C(COC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1)C(=O)OCC ZINC000741022449 579394059 /nfs/dbraw/zinc/39/40/59/579394059.db2.gz VXLGMLBQUNJZRV-KFWWJZLASA-N 1 2 327.421 1.783 20 30 EDEDLO C=C(COC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OCC ZINC000741022451 579394069 /nfs/dbraw/zinc/39/40/69/579394069.db2.gz VXLGMLBQUNJZRV-QLFBSQMISA-N 1 2 327.421 1.783 20 30 EDEDLO C=C(COC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OCC ZINC000741022451 579394070 /nfs/dbraw/zinc/39/40/70/579394070.db2.gz VXLGMLBQUNJZRV-QLFBSQMISA-N 1 2 327.421 1.783 20 30 EDEDLO S=C(N[NH+]=Cc1c(N2CCOCC2)nc2ccccn21)NC1CC1 ZINC000741805130 579429382 /nfs/dbraw/zinc/42/93/82/579429382.db2.gz NHCXMRXPFDEDHL-UHFFFAOYSA-N 1 2 344.444 1.131 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000743859468 579492514 /nfs/dbraw/zinc/49/25/14/579492514.db2.gz VGOSWKHQKHLAJC-AWEZNQCLSA-N 1 2 347.846 1.165 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000743859468 579492515 /nfs/dbraw/zinc/49/25/15/579492515.db2.gz VGOSWKHQKHLAJC-AWEZNQCLSA-N 1 2 347.846 1.165 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NCCC#N)CCN1c1nc2ccccc2o1 ZINC000729922068 578600147 /nfs/dbraw/zinc/60/01/47/578600147.db2.gz PMZHNWQQQBLJDN-CYBMUJFWSA-N 1 2 327.388 1.368 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NCCC#N)CCN1c1nc2ccccc2o1 ZINC000729922068 578600148 /nfs/dbraw/zinc/60/01/48/578600148.db2.gz PMZHNWQQQBLJDN-CYBMUJFWSA-N 1 2 327.388 1.368 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000730280440 578638855 /nfs/dbraw/zinc/63/88/55/578638855.db2.gz UFOPBVUBEMJZQN-INIZCTEOSA-N 1 2 327.384 1.675 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000730280440 578638857 /nfs/dbraw/zinc/63/88/57/578638857.db2.gz UFOPBVUBEMJZQN-INIZCTEOSA-N 1 2 327.384 1.675 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732815066 578731314 /nfs/dbraw/zinc/73/13/14/578731314.db2.gz VDIPXSDQPLOERU-GFCCVEGCSA-N 1 2 335.370 1.506 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732815066 578731315 /nfs/dbraw/zinc/73/13/15/578731315.db2.gz VDIPXSDQPLOERU-GFCCVEGCSA-N 1 2 335.370 1.506 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccsc2NC(=O)c2ccco2)CC1 ZINC000733163111 578745167 /nfs/dbraw/zinc/74/51/67/578745167.db2.gz FQAYFINSWBTJHC-UHFFFAOYSA-N 1 2 343.408 1.984 20 30 EDEDLO CCC(C)N=Nc1ncccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000734751729 578835460 /nfs/dbraw/zinc/83/54/60/578835460.db2.gz ZMCQVRXLBAGZSS-UHFFFAOYSA-N 1 2 325.438 1.216 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000739911674 579266947 /nfs/dbraw/zinc/26/69/47/579266947.db2.gz AFHLZIWZHYNBQG-NVXWUHKLSA-N 1 2 329.400 1.620 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000739911674 579266949 /nfs/dbraw/zinc/26/69/49/579266949.db2.gz AFHLZIWZHYNBQG-NVXWUHKLSA-N 1 2 329.400 1.620 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)n2)CC1 ZINC000777377206 580440417 /nfs/dbraw/zinc/44/04/17/580440417.db2.gz NJHUSLBLSUACKR-UHFFFAOYSA-N 1 2 343.818 1.702 20 30 EDEDLO CCOc1ccc(/C=[NH+]\CC2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000748584047 579693659 /nfs/dbraw/zinc/69/36/59/579693659.db2.gz LXFCAVUPKFWOQT-ATVHPVEESA-N 1 2 340.445 1.881 20 30 EDEDLO COC[C@@H]1CCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000752328462 579845891 /nfs/dbraw/zinc/84/58/91/579845891.db2.gz ZWFOFHGQDVBUHA-GXTWGEPZSA-N 1 2 340.383 1.622 20 30 EDEDLO COC[C@@H]1CCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000752328462 579845892 /nfs/dbraw/zinc/84/58/92/579845892.db2.gz ZWFOFHGQDVBUHA-GXTWGEPZSA-N 1 2 340.383 1.622 20 30 EDEDLO N#C[C@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCN1C1CC1 ZINC000753128671 579873149 /nfs/dbraw/zinc/87/31/49/579873149.db2.gz RJHFKTHNEFLZMZ-HOCLYGCPSA-N 1 2 340.431 1.042 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)OCc1ccc(Cl)cc1 ZINC000753350760 579877714 /nfs/dbraw/zinc/87/77/14/579877714.db2.gz ODSPFZBSJTZFNI-HNNXBMFYSA-N 1 2 334.803 1.597 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)OCc1ccc(Cl)cc1 ZINC000753350760 579877715 /nfs/dbraw/zinc/87/77/15/579877715.db2.gz ODSPFZBSJTZFNI-HNNXBMFYSA-N 1 2 334.803 1.597 20 30 EDEDLO C#CCOCCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000755424634 579926769 /nfs/dbraw/zinc/92/67/69/579926769.db2.gz CJJYMQWILLIEON-SFHVURJKSA-N 1 2 330.428 1.524 20 30 EDEDLO CN(C)c1nc(=NN=Cc2c(-n3cc[nH+]c3)nc3ccccn23)cc[nH]1 ZINC000755738488 579933778 /nfs/dbraw/zinc/93/37/78/579933778.db2.gz JCSAWYCCIKYXKH-UHFFFAOYSA-N 1 2 347.386 1.822 20 30 EDEDLO c1cn(-c2ccc(N=NCc3cc(-c4cccnc4)n[nH]3)nn2)c[nH+]1 ZINC000761837064 580062450 /nfs/dbraw/zinc/06/24/50/580062450.db2.gz QWUAGDHNDXMPAE-UHFFFAOYSA-N 1 2 331.343 1.893 20 30 EDEDLO c1cn(-c2ccc(N=NCc3cn(-c4ccccc4)nn3)nn2)c[nH+]1 ZINC000761836933 580062400 /nfs/dbraw/zinc/06/24/00/580062400.db2.gz CRFVLJIDROREQP-UHFFFAOYSA-N 1 2 331.343 1.689 20 30 EDEDLO Cn1cc(CN=Nc2ccc(-n3cc[nH+]c3)nn2)c(-c2ccncc2)n1 ZINC000761839392 580062475 /nfs/dbraw/zinc/06/24/75/580062475.db2.gz SIZFESPODPAITM-UHFFFAOYSA-N 1 2 345.370 1.904 20 30 EDEDLO Cn1cc(C=NNc2ccc(-n3cc[nH+]c3)nn2)c(-c2ccncc2)n1 ZINC000761839392 580062476 /nfs/dbraw/zinc/06/24/76/580062476.db2.gz SIZFESPODPAITM-UHFFFAOYSA-N 1 2 345.370 1.904 20 30 EDEDLO CC(C)[C@H]1CCCCC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000764660200 580125995 /nfs/dbraw/zinc/12/59/95/580125995.db2.gz UULUZHQQDHLBAI-CQSZACIVSA-N 1 2 326.510 1.985 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000765339898 580140227 /nfs/dbraw/zinc/14/02/27/580140227.db2.gz RZAAHLMXXVTGOQ-CQSZACIVSA-N 1 2 344.415 1.964 20 30 EDEDLO COc1c(C)c[nH+]c(CNC(=O)CNc2ccc(C#N)cn2)c1C ZINC000765480766 580143503 /nfs/dbraw/zinc/14/35/03/580143503.db2.gz XCQIYNQUVAZDRH-UHFFFAOYSA-N 1 2 325.372 1.702 20 30 EDEDLO C#CC[N@@H+](Cn1nc(C(=O)OC)cc1C(=O)OC)C1CCCCC1 ZINC000765684224 580148423 /nfs/dbraw/zinc/14/84/23/580148423.db2.gz LULDNFHONVWCQS-UHFFFAOYSA-N 1 2 333.388 1.682 20 30 EDEDLO C#CC[N@H+](Cn1nc(C(=O)OC)cc1C(=O)OC)C1CCCCC1 ZINC000765684224 580148424 /nfs/dbraw/zinc/14/84/24/580148424.db2.gz LULDNFHONVWCQS-UHFFFAOYSA-N 1 2 333.388 1.682 20 30 EDEDLO N#Cc1c2c(cn(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)c1=O)CCC2 ZINC000766637370 580170933 /nfs/dbraw/zinc/17/09/33/580170933.db2.gz PJYYJTBXBQYVIM-MRXNPFEDSA-N 1 2 343.427 1.436 20 30 EDEDLO C[N@H+](CC(=O)OCC(=O)NCc1cccc(C#N)c1)[C@H]1CCSC1 ZINC000767115289 580181959 /nfs/dbraw/zinc/18/19/59/580181959.db2.gz HOJBZVOUGHHHCU-HNNXBMFYSA-N 1 2 347.440 1.155 20 30 EDEDLO C[N@@H+](CC(=O)OCC(=O)NCc1cccc(C#N)c1)[C@H]1CCSC1 ZINC000767115289 580181960 /nfs/dbraw/zinc/18/19/60/580181960.db2.gz HOJBZVOUGHHHCU-HNNXBMFYSA-N 1 2 347.440 1.155 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCO1 ZINC000773566225 580341701 /nfs/dbraw/zinc/34/17/01/580341701.db2.gz ZGIJLJKUCRHBGT-IAGOWNOFSA-N 1 2 328.416 1.090 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCO1 ZINC000773566222 580341708 /nfs/dbraw/zinc/34/17/08/580341708.db2.gz ZGIJLJKUCRHBGT-DLBZAZTESA-N 1 2 328.416 1.090 20 30 EDEDLO C#C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000775792337 580400759 /nfs/dbraw/zinc/40/07/59/580400759.db2.gz QQHKCYKEODFXHA-BFHYXJOUSA-N 1 2 337.217 1.746 20 30 EDEDLO C#C[C@H]([NH2+]Cc1csc(N(CCOC)C(C)=O)n1)[C@H]1CCCO1 ZINC000775795673 580401068 /nfs/dbraw/zinc/40/10/68/580401068.db2.gz PEGGJXPHVLITEJ-LSDHHAIUSA-N 1 2 337.445 1.413 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCO1 ZINC000775798123 580401146 /nfs/dbraw/zinc/40/11/46/580401146.db2.gz HWQKUIRJXSWANM-UONOGXRCSA-N 1 2 328.328 1.915 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)[C@H]1CCCO1 ZINC000775807550 580401706 /nfs/dbraw/zinc/40/17/06/580401706.db2.gz SGMJWHDURVREAY-UONOGXRCSA-N 1 2 349.341 1.534 20 30 EDEDLO Cc1cc[nH+]cc1CCC=NNC(=S)NCCN1CCOCC1 ZINC000776720111 580427136 /nfs/dbraw/zinc/42/71/36/580427136.db2.gz HUVIFRRDSGDVAO-UHFFFAOYSA-N 1 2 335.477 1.105 20 30 EDEDLO C=CCOc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(=O)OC)cc1 ZINC000779565992 580490003 /nfs/dbraw/zinc/49/00/03/580490003.db2.gz YTBHADIOPRYOPE-HNNXBMFYSA-N 1 2 329.356 1.420 20 30 EDEDLO C[C@@H]1C[NH+]=C(NN=Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000779795209 580497479 /nfs/dbraw/zinc/49/74/79/580497479.db2.gz QADJWJKFQIEUCC-SECBINFHSA-N 1 2 330.373 1.990 20 30 EDEDLO COc1ccccc1[C@H](NC(=O)NC[C@H](C)C#N)c1[nH+]ccn1C ZINC000781926494 580560486 /nfs/dbraw/zinc/56/04/86/580560486.db2.gz INWHVBARMKXENB-DOMZBBRYSA-N 1 2 327.388 1.977 20 30 EDEDLO CCOCCNC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947921 580588932 /nfs/dbraw/zinc/58/89/32/580588932.db2.gz GGZMVZBCECPTMM-UHFFFAOYSA-N 1 2 344.209 1.239 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000784339317 580618848 /nfs/dbraw/zinc/61/88/48/580618848.db2.gz GQQVMOLTZOKBOW-NRFANRHFSA-N 1 2 325.865 1.708 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000790554625 580772977 /nfs/dbraw/zinc/77/29/77/580772977.db2.gz UBCUKJDANDWQMF-ZDUSSCGKSA-N 1 2 340.345 1.894 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000790554625 580772978 /nfs/dbraw/zinc/77/29/78/580772978.db2.gz UBCUKJDANDWQMF-ZDUSSCGKSA-N 1 2 340.345 1.894 20 30 EDEDLO COC(=O)C[C@H]1CCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793512022 580846514 /nfs/dbraw/zinc/84/65/14/580846514.db2.gz ORDVKKDECFFDAL-CQSZACIVSA-N 1 2 329.400 1.584 20 30 EDEDLO COC(=O)C[C@H]1CCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793512022 580846513 /nfs/dbraw/zinc/84/65/13/580846513.db2.gz ORDVKKDECFFDAL-CQSZACIVSA-N 1 2 329.400 1.584 20 30 EDEDLO C[C@@H]1C[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C[C@]2(CCOC2)O1 ZINC000793514912 580846726 /nfs/dbraw/zinc/84/67/26/580846726.db2.gz HXKHOXCFFNFGNY-KUHUBIRLSA-N 1 2 343.427 1.436 20 30 EDEDLO C[C@@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C[C@]2(CCOC2)O1 ZINC000793514912 580846727 /nfs/dbraw/zinc/84/67/27/580846727.db2.gz HXKHOXCFFNFGNY-KUHUBIRLSA-N 1 2 343.427 1.436 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cn3cc4[nH]cccc-4c3=O)C2)nc1 ZINC000793589938 580848399 /nfs/dbraw/zinc/84/83/99/580848399.db2.gz JMXXSYMFTJOHBP-CQSZACIVSA-N 1 2 335.367 1.415 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cn3cc4[nH]cccc-4c3=O)C2)nc1 ZINC000793589938 580848400 /nfs/dbraw/zinc/84/84/00/580848400.db2.gz JMXXSYMFTJOHBP-CQSZACIVSA-N 1 2 335.367 1.415 20 30 EDEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1=S ZINC000794638142 580901179 /nfs/dbraw/zinc/90/11/79/580901179.db2.gz AXYAKQCSTBVHFS-GFCCVEGCSA-N 1 2 337.449 1.450 20 30 EDEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1=S ZINC000794638142 580901180 /nfs/dbraw/zinc/90/11/80/580901180.db2.gz AXYAKQCSTBVHFS-GFCCVEGCSA-N 1 2 337.449 1.450 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=CCc1cccc(Cl)c1 ZINC000794868322 580907040 /nfs/dbraw/zinc/90/70/40/580907040.db2.gz INJGHDLMXMWJAD-UHFFFAOYSA-N 1 2 340.880 1.665 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000798354504 580995162 /nfs/dbraw/zinc/99/51/62/580995162.db2.gz MSQSOTDJIYYDCU-HOTGVXAUSA-N 1 2 344.390 1.722 20 30 EDEDLO C=CCN1CC[C@@H](N(C)c2[nH+]cnc3c2cnn3C(C)(C)C)C1=O ZINC000798405359 580996478 /nfs/dbraw/zinc/99/64/78/580996478.db2.gz VYTUJLWKPCRQTN-CYBMUJFWSA-N 1 2 328.420 1.804 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000798433774 580997228 /nfs/dbraw/zinc/99/72/28/580997228.db2.gz XZSSECVTITZQOP-KRWDZBQOSA-N 1 2 340.427 1.699 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000799142936 581018627 /nfs/dbraw/zinc/01/86/27/581018627.db2.gz CWWRUHWZOJZWOJ-HNNXBMFYSA-N 1 2 343.387 1.929 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000799142936 581018628 /nfs/dbraw/zinc/01/86/28/581018628.db2.gz CWWRUHWZOJZWOJ-HNNXBMFYSA-N 1 2 343.387 1.929 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000801932665 581088464 /nfs/dbraw/zinc/08/84/64/581088464.db2.gz UCHHCGMLVMKGMG-IKGGRYGDSA-N 1 2 336.480 1.228 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)Cc2ccc(OCC#N)cc2)C[N@@H+]1C ZINC000893582195 590985635 /nfs/dbraw/zinc/98/56/35/590985635.db2.gz LBVKUAVXXJFNJE-QAPCUYQASA-N 1 2 346.383 1.310 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)Cc2ccc(OCC#N)cc2)C[N@H+]1C ZINC000893582195 590985637 /nfs/dbraw/zinc/98/56/37/590985637.db2.gz LBVKUAVXXJFNJE-QAPCUYQASA-N 1 2 346.383 1.310 20 30 EDEDLO COC(=O)[C@H]1[C@@H](C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C1(F)F ZINC000893923743 591140010 /nfs/dbraw/zinc/14/00/10/591140010.db2.gz HKQVHRWRXWBZAA-TZMCWYRMSA-N 1 2 336.342 1.130 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([C@@H](C)OC)c2)C1 ZINC000891605188 591145811 /nfs/dbraw/zinc/14/58/11/591145811.db2.gz BLLBXHUIOOWJHB-RHSMWYFYSA-N 1 2 343.427 1.546 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([C@@H](C)OC)c2)C1 ZINC000891605188 591145814 /nfs/dbraw/zinc/14/58/14/591145814.db2.gz BLLBXHUIOOWJHB-RHSMWYFYSA-N 1 2 343.427 1.546 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCO[C@](C)(C#N)C1 ZINC000891619952 591152655 /nfs/dbraw/zinc/15/26/55/591152655.db2.gz ZOMMOGUYJBUUSL-QGZVFWFLSA-N 1 2 327.388 1.669 20 30 EDEDLO CN(C)c1cc(N2CCN(c3cccc(F)c3C#N)CC2)nc[nH+]1 ZINC000891772135 591219376 /nfs/dbraw/zinc/21/93/76/591219376.db2.gz QWJRTKIFJGYPAX-UHFFFAOYSA-N 1 2 326.379 1.880 20 30 EDEDLO CN(C)c1cc(N2CCN(c3cccc(F)c3C#N)CC2)[nH+]cn1 ZINC000891772135 591219377 /nfs/dbraw/zinc/21/93/77/591219377.db2.gz QWJRTKIFJGYPAX-UHFFFAOYSA-N 1 2 326.379 1.880 20 30 EDEDLO C#CCSCC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000895745842 591263839 /nfs/dbraw/zinc/26/38/39/591263839.db2.gz GEEPVGVPNBNTRU-UHFFFAOYSA-N 1 2 330.413 1.704 20 30 EDEDLO C#C[C@H](NC(=O)NCc1c(C)[nH+]c2ccccn21)C1CCOCC1 ZINC000895854006 591288166 /nfs/dbraw/zinc/28/81/66/591288166.db2.gz SRHWBQBMQBABCP-HNNXBMFYSA-N 1 2 326.400 1.870 20 30 EDEDLO C=C1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000896040973 591329598 /nfs/dbraw/zinc/32/95/98/591329598.db2.gz FOWDVNFJIHSZEE-KRWDZBQOSA-N 1 2 330.432 1.644 20 30 EDEDLO C=C1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000896040973 591329602 /nfs/dbraw/zinc/32/96/02/591329602.db2.gz FOWDVNFJIHSZEE-KRWDZBQOSA-N 1 2 330.432 1.644 20 30 EDEDLO Cn1c[nH+]c(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000898625971 591448927 /nfs/dbraw/zinc/44/89/27/591448927.db2.gz BPGJYACYOYDNHY-INIZCTEOSA-N 1 2 325.372 1.575 20 30 EDEDLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000894953438 591498945 /nfs/dbraw/zinc/49/89/45/591498945.db2.gz GAXRBHIYTNIKDE-GFCCVEGCSA-N 1 2 330.388 1.314 20 30 EDEDLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000894953438 591498949 /nfs/dbraw/zinc/49/89/49/591498949.db2.gz GAXRBHIYTNIKDE-GFCCVEGCSA-N 1 2 330.388 1.314 20 30 EDEDLO Cc1c(C(=O)N2CC[NH+](CCOC(C)C)CC2)cnn1CCC#N ZINC000896791901 591613118 /nfs/dbraw/zinc/61/31/18/591613118.db2.gz OWJRLRCGHAJPIP-UHFFFAOYSA-N 1 2 333.436 1.288 20 30 EDEDLO O=C1[C@@H]([NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CCCN1O ZINC000895158756 591625244 /nfs/dbraw/zinc/62/52/44/591625244.db2.gz NPERRRPNTZCPBF-LBPRGKRZSA-N 1 2 344.770 1.994 20 30 EDEDLO C=CCC1(O)CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000899588904 591862956 /nfs/dbraw/zinc/86/29/56/591862956.db2.gz ASJMPKIWUZHAAG-UHFFFAOYSA-N 1 2 344.459 1.133 20 30 EDEDLO C#CC[NH+]1CCN(CN2CCN(Cc3ccccc3F)C2=O)CC1 ZINC000902042265 591901693 /nfs/dbraw/zinc/90/16/93/591901693.db2.gz SSPJUQSDPDGRIE-UHFFFAOYSA-N 1 2 330.407 1.272 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cnn([C@@H](C)CC)c2C2CC2)CC1 ZINC000902192138 591941900 /nfs/dbraw/zinc/94/19/00/591941900.db2.gz WEPVLFIOMNLVSN-HNNXBMFYSA-N 1 2 343.475 1.921 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)CC1 ZINC000906784087 592332789 /nfs/dbraw/zinc/33/27/89/592332789.db2.gz VXNUJOVJGJPKKG-KXXAIEDCSA-N 1 2 337.489 1.229 20 30 EDEDLO CCn1nc(C)c(C(=O)/C=C/c2ccc(N(C)CCOC)[nH+]c2)n1 ZINC000905087925 592391647 /nfs/dbraw/zinc/39/16/47/592391647.db2.gz SFVXEMQHXRYAGP-SOFGYWHQSA-N 1 2 329.404 1.980 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)cc1 ZINC000906957142 592435061 /nfs/dbraw/zinc/43/50/61/592435061.db2.gz KYTKBARFEOZJQK-INIZCTEOSA-N 1 2 336.457 1.399 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N2CC[N@@H+](CCOC)[C@@H](CC)C2)cc1 ZINC000906957142 592435064 /nfs/dbraw/zinc/43/50/64/592435064.db2.gz KYTKBARFEOZJQK-INIZCTEOSA-N 1 2 336.457 1.399 20 30 EDEDLO C=C(C)C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC000901680649 592436152 /nfs/dbraw/zinc/43/61/52/592436152.db2.gz ZKAFWHMURAMHQT-SFHVURJKSA-N 1 2 348.443 1.907 20 30 EDEDLO C=CC[C@@H]([NH2+]C[C@@H](Cc1ccc(F)cc1C)C(=O)NC)C(=O)OC ZINC000905779730 592636507 /nfs/dbraw/zinc/63/65/07/592636507.db2.gz OASZHAVEQNEEIA-GDBMZVCRSA-N 1 2 336.407 1.746 20 30 EDEDLO C[C@H](O)C[N@@H+]1CCN(C(=O)C(F)(F)c2ccccc2C#N)[C@@H](C)C1 ZINC000907520732 592701866 /nfs/dbraw/zinc/70/18/66/592701866.db2.gz ZDGZNWLSGIQXRG-STQMWFEESA-N 1 2 337.370 1.564 20 30 EDEDLO C[C@H](O)C[N@H+]1CCN(C(=O)C(F)(F)c2ccccc2C#N)[C@@H](C)C1 ZINC000907520732 592701868 /nfs/dbraw/zinc/70/18/68/592701868.db2.gz ZDGZNWLSGIQXRG-STQMWFEESA-N 1 2 337.370 1.564 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)OCCc2c[nH+]cn2C)c1 ZINC000909889312 592707993 /nfs/dbraw/zinc/70/79/93/592707993.db2.gz DURIFUJWZBMDTN-UHFFFAOYSA-N 1 2 346.408 1.617 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1C(=O)CC1(C#N)CC1 ZINC000907584914 592722172 /nfs/dbraw/zinc/72/21/72/592722172.db2.gz YICGIANUEVZFGG-INIZCTEOSA-N 1 2 337.383 1.336 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2[nH]ccc2n1 ZINC000906473469 592833944 /nfs/dbraw/zinc/83/39/44/592833944.db2.gz WOMSKICJTXILRV-UHFFFAOYSA-N 1 2 327.388 1.251 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000910841886 592895803 /nfs/dbraw/zinc/89/58/03/592895803.db2.gz MPDOGQHMTYYXSQ-DYVFJYSZSA-N 1 2 329.404 1.236 20 30 EDEDLO N#CCCCCCC(=O)OCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000805695755 593125710 /nfs/dbraw/zinc/12/57/10/593125710.db2.gz HKRHPQQKJXSRSL-UHFFFAOYSA-N 1 2 347.415 1.941 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)C#Cc2ccccc2)C1=O ZINC000783554164 593133743 /nfs/dbraw/zinc/13/37/43/593133743.db2.gz YKRGVVCROYQYCV-INIZCTEOSA-N 1 2 336.395 1.079 20 30 EDEDLO C[NH+](C)CCN1c2ccccc2C(=NNc2ncc(F)cn2)C1=O ZINC000807981464 593213459 /nfs/dbraw/zinc/21/34/59/593213459.db2.gz IAPFVRDKACLHSR-UHFFFAOYSA-N 1 2 328.351 1.340 20 30 EDEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]N[C@@H]1CCSC1 ZINC000808002491 593214860 /nfs/dbraw/zinc/21/48/60/593214860.db2.gz LSZFHUMFYDVRHN-LLVKDONJSA-N 1 2 327.413 1.913 20 30 EDEDLO C=CCN1CCN(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)C1=O ZINC000839953289 593219867 /nfs/dbraw/zinc/21/98/67/593219867.db2.gz ALXZLBWYFOKYHI-UHFFFAOYSA-N 1 2 342.443 1.762 20 30 EDEDLO C=CC[N@@H+](CCc1ccccc1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000839976039 593270655 /nfs/dbraw/zinc/27/06/55/593270655.db2.gz GSXHKJYIJPEDAE-GOSISDBHSA-N 1 2 344.455 1.675 20 30 EDEDLO C=CC[N@H+](CCc1ccccc1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000839976039 593270656 /nfs/dbraw/zinc/27/06/56/593270656.db2.gz GSXHKJYIJPEDAE-GOSISDBHSA-N 1 2 344.455 1.675 20 30 EDEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804332871 593405122 /nfs/dbraw/zinc/40/51/22/593405122.db2.gz CYQYKLAMESODCF-YVEFUNNKSA-N 1 2 332.404 1.576 20 30 EDEDLO C#C[C@H](CC)NC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000812037541 593489096 /nfs/dbraw/zinc/48/90/96/593489096.db2.gz YNNBPOLCNCMRIW-CJNGLKHVSA-N 1 2 339.399 1.237 20 30 EDEDLO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000813376780 593530323 /nfs/dbraw/zinc/53/03/23/593530323.db2.gz XJAUKUVEZZZBAM-PKOBYXMFSA-N 1 2 340.427 1.911 20 30 EDEDLO CSc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)s1 ZINC000814716372 593601048 /nfs/dbraw/zinc/60/10/48/593601048.db2.gz BFYBPZIJHLCKJC-UHFFFAOYSA-N 1 2 344.531 1.600 20 30 EDEDLO Cn1ncc(C=[NH+]Nc2ccc(S(=O)(=O)C(F)F)cc2)c1N ZINC000814828028 593604163 /nfs/dbraw/zinc/60/41/63/593604163.db2.gz KJXPCYKSGZRYDK-UHFFFAOYSA-N 1 2 329.332 1.445 20 30 EDEDLO C=CCC(F)(F)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000815024393 593610199 /nfs/dbraw/zinc/61/01/99/593610199.db2.gz AKWWMRLYBIBUEE-UHFFFAOYSA-N 1 2 337.370 1.641 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000815665194 593646153 /nfs/dbraw/zinc/64/61/53/593646153.db2.gz SQLSOZQNLMVNER-UHFFFAOYSA-N 1 2 343.456 1.901 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000819411134 593753803 /nfs/dbraw/zinc/75/38/03/593753803.db2.gz KQMBSALWPUOMJU-AEFFLSMTSA-N 1 2 333.432 1.863 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000819411134 593753804 /nfs/dbraw/zinc/75/38/04/593753804.db2.gz KQMBSALWPUOMJU-AEFFLSMTSA-N 1 2 333.432 1.863 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCc2ccc(Cl)cc2)CC1 ZINC000819862760 593772370 /nfs/dbraw/zinc/77/23/70/593772370.db2.gz GLMYTRUYHNXADP-UHFFFAOYSA-N 1 2 340.876 1.853 20 30 EDEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCCN(O)C3=O)cn2c1 ZINC000820482799 593822985 /nfs/dbraw/zinc/82/29/85/593822985.db2.gz RRBNJWZOBOSPIV-ZDUSSCGKSA-N 1 2 348.428 1.372 20 30 EDEDLO C#CCCN(CCOC)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000822018509 593983322 /nfs/dbraw/zinc/98/33/22/593983322.db2.gz JUNABMKNXBZXLT-UHFFFAOYSA-N 1 2 346.431 1.730 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000822325917 594032409 /nfs/dbraw/zinc/03/24/09/594032409.db2.gz ALWIUDPERKRREI-BBRMVZONSA-N 1 2 327.384 1.673 20 30 EDEDLO C#CCOc1ccccc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000822753755 594095898 /nfs/dbraw/zinc/09/58/98/594095898.db2.gz FHYZGEUAQCLXIG-CABCVRRESA-N 1 2 331.416 1.929 20 30 EDEDLO C#CCOc1ccccc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000822753755 594095900 /nfs/dbraw/zinc/09/59/00/594095900.db2.gz FHYZGEUAQCLXIG-CABCVRRESA-N 1 2 331.416 1.929 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCc3nnc(-c4ccccc4)n3C2)CC1 ZINC000825561210 594200657 /nfs/dbraw/zinc/20/06/57/594200657.db2.gz ZKYLDNCKHOZLGE-KRWDZBQOSA-N 1 2 349.438 1.285 20 30 EDEDLO C#Cc1cnc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)nc1 ZINC000827619609 594245288 /nfs/dbraw/zinc/24/52/88/594245288.db2.gz ZSUZOYUMHHMRAH-QGZVFWFLSA-N 1 2 342.830 1.967 20 30 EDEDLO C#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000829793526 594265843 /nfs/dbraw/zinc/26/58/43/594265843.db2.gz HRQGMBCZPKPLBF-CQSZACIVSA-N 1 2 334.441 1.764 20 30 EDEDLO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000829793526 594265845 /nfs/dbraw/zinc/26/58/45/594265845.db2.gz HRQGMBCZPKPLBF-CQSZACIVSA-N 1 2 334.441 1.764 20 30 EDEDLO C#CCN(C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000825903783 594273746 /nfs/dbraw/zinc/27/37/46/594273746.db2.gz ROCSWQURQPGQFX-AWEZNQCLSA-N 1 2 346.412 1.297 20 30 EDEDLO CC(C)(C)OC(=O)NC1(CO)CC[NH+](Cc2ccncc2C#N)CC1 ZINC000828433778 594419178 /nfs/dbraw/zinc/41/91/78/594419178.db2.gz AAIXBFMSSCUCAL-UHFFFAOYSA-N 1 2 346.431 1.805 20 30 EDEDLO C[N@@H+]1CCn2nc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2C1 ZINC000829435758 594612819 /nfs/dbraw/zinc/61/28/19/594612819.db2.gz SQURRIKDDPGPER-UHFFFAOYSA-N 1 2 339.399 1.996 20 30 EDEDLO C[N@H+]1CCn2nc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2C1 ZINC000829435758 594612820 /nfs/dbraw/zinc/61/28/20/594612820.db2.gz SQURRIKDDPGPER-UHFFFAOYSA-N 1 2 339.399 1.996 20 30 EDEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000832414951 594748739 /nfs/dbraw/zinc/74/87/39/594748739.db2.gz NHPCPBYKGWVAGM-GFCCVEGCSA-N 1 2 325.409 1.802 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cccc(F)c1C#N ZINC000832414951 594748740 /nfs/dbraw/zinc/74/87/40/594748740.db2.gz NHPCPBYKGWVAGM-GFCCVEGCSA-N 1 2 325.409 1.802 20 30 EDEDLO C#CC[C@H]1NC(=O)N(c2cccc([C@H](C)[NH+]3CCOCC3)c2)C1=O ZINC000840900206 594825445 /nfs/dbraw/zinc/82/54/45/594825445.db2.gz RMXMCYSSJVZULH-XJKSGUPXSA-N 1 2 327.384 1.528 20 30 EDEDLO CCn1c[nH+]cc1CN=Nc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000841618886 594929449 /nfs/dbraw/zinc/92/94/49/594929449.db2.gz XEGYRMDTACUTHU-UHFFFAOYSA-N 1 2 348.432 1.529 20 30 EDEDLO C=CCC[C@H](NC(=O)c1ccnc(-n2cc[nH+]c2)c1)C(=O)OCC ZINC000837026570 595025424 /nfs/dbraw/zinc/02/54/24/595025424.db2.gz TYJWJUBEZMGZBC-AWEZNQCLSA-N 1 2 328.372 1.895 20 30 EDEDLO C#CC[C@H]1NC(=O)N(C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1=O ZINC000842236221 595048280 /nfs/dbraw/zinc/04/82/80/595048280.db2.gz MDSPCDLLMNBOSF-CVEARBPZSA-N 1 2 327.384 1.004 20 30 EDEDLO C[NH+](C)Cc1csc(NC(=O)C#Cc2ccc3c(c2)OCO3)n1 ZINC000837264472 595070714 /nfs/dbraw/zinc/07/07/14/595070714.db2.gz YZYOOXVPIXOQKR-UHFFFAOYSA-N 1 2 329.381 1.924 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 ZINC000834732437 595200792 /nfs/dbraw/zinc/20/07/92/595200792.db2.gz CKYRUVSCEPAWTE-HZPDHXFCSA-N 1 2 336.399 1.139 20 30 EDEDLO CCN1C[C@@H](C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)OC1=O ZINC000846850524 595326776 /nfs/dbraw/zinc/32/67/76/595326776.db2.gz JHVLWZHEMOHWAJ-IAGOWNOFSA-N 1 2 346.406 1.849 20 30 EDEDLO C[NH+](C)[C@H](C(=O)N[C@@H]1CCCN(O)C1=O)c1cccc(Cl)c1 ZINC000848138168 595326771 /nfs/dbraw/zinc/32/67/71/595326771.db2.gz JYWLMCWXDDRARD-OLZOCXBDSA-N 1 2 325.796 1.439 20 30 EDEDLO CC(C)(C)OC(=O)C(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000844341634 595328995 /nfs/dbraw/zinc/32/89/95/595328995.db2.gz UNKBIEZXRYAJLB-UHFFFAOYSA-N 1 2 329.400 1.544 20 30 EDEDLO C[C@H](C(=O)Nc1ncccn1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365672 595330861 /nfs/dbraw/zinc/33/08/61/595330861.db2.gz HEZAPEJBTRRLCW-IUODEOHRSA-N 1 2 325.372 1.341 20 30 EDEDLO C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365672 595330864 /nfs/dbraw/zinc/33/08/64/595330864.db2.gz HEZAPEJBTRRLCW-IUODEOHRSA-N 1 2 325.372 1.341 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844527278 595355464 /nfs/dbraw/zinc/35/54/64/595355464.db2.gz ODZPGDJKJFMETR-HNNXBMFYSA-N 1 2 349.347 1.396 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)C1 ZINC000847361828 595403939 /nfs/dbraw/zinc/40/39/39/595403939.db2.gz MEANCDMTLXHZDP-MUYFXNHWSA-N 1 2 349.475 1.311 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)CC1 ZINC000106927643 595445157 /nfs/dbraw/zinc/44/51/57/595445157.db2.gz YALHSXSGMPIBGW-AWEZNQCLSA-N 1 2 337.489 1.102 20 30 EDEDLO C#C[C@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1CCCO1 ZINC000847758372 595479818 /nfs/dbraw/zinc/47/98/18/595479818.db2.gz KIOCRHQOOVUNBX-WOPDTQHZSA-N 1 2 329.322 1.753 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCc2ccccc2Cl)CC1 ZINC000849373034 595515102 /nfs/dbraw/zinc/51/51/02/595515102.db2.gz YLAIPTAQOJSQCR-UHFFFAOYSA-N 1 2 340.876 1.853 20 30 EDEDLO CCCCCCCNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000858109662 595702463 /nfs/dbraw/zinc/70/24/63/595702463.db2.gz ZGVKEFZMCDOYDR-OAHLLOKOSA-N 1 2 338.496 1.951 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000858125466 595705678 /nfs/dbraw/zinc/70/56/78/595705678.db2.gz HUMFBAFMFWFTQU-HNNXBMFYSA-N 1 2 327.388 1.495 20 30 EDEDLO C#CC[C@H](COC)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000858125962 595705906 /nfs/dbraw/zinc/70/59/06/595705906.db2.gz PJYNLJQRZWLDCP-QGZVFWFLSA-N 1 2 326.400 1.769 20 30 EDEDLO C#CCC[C@@H](O)CNc1nc(NC[C@@H](O)CCC#C)[nH+]c(C)c1F ZINC000853568844 595808015 /nfs/dbraw/zinc/80/80/15/595808015.db2.gz AKEUNMSLAMXYPH-KGLIPLIRSA-N 1 2 334.395 1.297 20 30 EDEDLO C#CCCCCC(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000856077885 595889766 /nfs/dbraw/zinc/88/97/66/595889766.db2.gz JAACTQBRILXVEW-FQEVSTJZSA-N 1 2 344.455 1.560 20 30 EDEDLO C#CCCCCC(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000856077885 595889768 /nfs/dbraw/zinc/88/97/68/595889768.db2.gz JAACTQBRILXVEW-FQEVSTJZSA-N 1 2 344.455 1.560 20 30 EDEDLO C#C[C@H](NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1)C1CCOCC1 ZINC000856108118 595897156 /nfs/dbraw/zinc/89/71/56/595897156.db2.gz BQYNXYLICGNKAP-ZWKOTPCHSA-N 1 2 336.476 1.668 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000111661495 595901763 /nfs/dbraw/zinc/90/17/63/595901763.db2.gz ZLLGLUZWWDRIQG-UHFFFAOYSA-N 1 2 325.412 1.885 20 30 EDEDLO C=CCCCS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856530956 596011436 /nfs/dbraw/zinc/01/14/36/596011436.db2.gz GTVUSHJZGAJLHT-LSDHHAIUSA-N 1 2 337.445 1.133 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(CO)ccc3F)CC2)cn1 ZINC000859284360 596032263 /nfs/dbraw/zinc/03/22/63/596032263.db2.gz ICEYZCMNXSMGQG-UHFFFAOYSA-N 1 2 326.375 1.907 20 30 EDEDLO N#CCCCCCC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856613970 596035259 /nfs/dbraw/zinc/03/52/59/596035259.db2.gz LLGPVRWRSZMVEA-JKSUJKDBSA-N 1 2 328.416 1.837 20 30 EDEDLO CC1(C)CC[C@H](CO)[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000856804506 596088373 /nfs/dbraw/zinc/08/83/73/596088373.db2.gz UZRTYVNKMVSCLW-CQSZACIVSA-N 1 2 340.427 1.903 20 30 EDEDLO CC1(C)CC[C@H](CO)[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000856804506 596088376 /nfs/dbraw/zinc/08/83/76/596088376.db2.gz UZRTYVNKMVSCLW-CQSZACIVSA-N 1 2 340.427 1.903 20 30 EDEDLO C#C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCOCC1 ZINC000852227413 596091883 /nfs/dbraw/zinc/09/18/83/596091883.db2.gz ZYQYEEQUIRTPNP-JKSUJKDBSA-N 1 2 328.416 1.388 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC(Nc3cccc[nH+]3)CC2)cn1 ZINC000864628840 596289513 /nfs/dbraw/zinc/28/95/13/596289513.db2.gz QCRVMXHTRWEIMY-UHFFFAOYSA-N 1 2 343.412 1.613 20 30 EDEDLO C=CCC[C@H](NC(=O)[C@H]1CCC[N@H+](CC(F)F)C1)C(=O)OCC ZINC000868759151 596297014 /nfs/dbraw/zinc/29/70/14/596297014.db2.gz FZEOBKUOPYSOIE-STQMWFEESA-N 1 2 332.391 1.978 20 30 EDEDLO C=CCC[C@H](NC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1)C(=O)OCC ZINC000868759151 596297017 /nfs/dbraw/zinc/29/70/17/596297017.db2.gz FZEOBKUOPYSOIE-STQMWFEESA-N 1 2 332.391 1.978 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C#N)CCCOC3)c[nH+]2)CCO1 ZINC000864884237 596403944 /nfs/dbraw/zinc/40/39/44/596403944.db2.gz LAOULNPCGBZSDO-KDOFPFPSSA-N 1 2 344.415 1.243 20 30 EDEDLO C=C[C@H](C)ONC(=O)c1ccc(NCC[NH+]2CCOCC2)c(F)c1 ZINC000869154301 596426920 /nfs/dbraw/zinc/42/69/20/596426920.db2.gz QPXAKRIWEKVNNJ-ZDUSSCGKSA-N 1 2 337.395 1.806 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122443844 596431350 /nfs/dbraw/zinc/43/13/50/596431350.db2.gz QLHKMCKXAUKMKO-LSDHHAIUSA-N 1 2 335.448 1.457 20 30 EDEDLO C=CCn1c(-c2cc[nH]n2)nnc1N1CCN(C)c2[nH+]cccc2C1 ZINC000871050892 596447776 /nfs/dbraw/zinc/44/77/76/596447776.db2.gz MCFXJBZTOUSRHQ-UHFFFAOYSA-N 1 2 336.403 1.706 20 30 EDEDLO Cc1ccc([C@H](C)C=NNC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000863067481 596499606 /nfs/dbraw/zinc/49/96/06/596499606.db2.gz ZJOMTFWCNZIVKB-OAHLLOKOSA-N 1 2 334.489 1.881 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000865202527 596514502 /nfs/dbraw/zinc/51/45/02/596514502.db2.gz LWJVBKZYEGCAOF-ZDUSSCGKSA-N 1 2 325.416 1.405 20 30 EDEDLO C=CCN1CCN(C[N@H+](CC)CCNC(=O)OC(C)(C)C)C1=O ZINC000863294102 596540849 /nfs/dbraw/zinc/54/08/49/596540849.db2.gz OYUMKYWBBCUHPJ-UHFFFAOYSA-N 1 2 326.441 1.714 20 30 EDEDLO C=CCN1CCN(C[N@@H+](CC)CCNC(=O)OC(C)(C)C)C1=O ZINC000863294102 596540852 /nfs/dbraw/zinc/54/08/52/596540852.db2.gz OYUMKYWBBCUHPJ-UHFFFAOYSA-N 1 2 326.441 1.714 20 30 EDEDLO COc1ccc(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)cc1C#N ZINC000865506211 596593528 /nfs/dbraw/zinc/59/35/28/596593528.db2.gz OAKIHJBABSHJTO-CQSZACIVSA-N 1 2 327.388 1.485 20 30 EDEDLO C#CCCCCCC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000863496451 596598764 /nfs/dbraw/zinc/59/87/64/596598764.db2.gz DJIDNCWQCSPCGV-SFHVURJKSA-N 1 2 329.444 1.982 20 30 EDEDLO C#CCCCCCC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000863496451 596598766 /nfs/dbraw/zinc/59/87/66/596598766.db2.gz DJIDNCWQCSPCGV-SFHVURJKSA-N 1 2 329.444 1.982 20 30 EDEDLO Cc1cc(S(=O)(=O)N2CCN(C)c3[nH+]cccc3C2)ccc1C#N ZINC000867899848 596608433 /nfs/dbraw/zinc/60/84/33/596608433.db2.gz PLXYSMYFSNUEBE-UHFFFAOYSA-N 1 2 342.424 1.902 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)c2ccc(Br)cc2)nn1 ZINC000871619475 596653015 /nfs/dbraw/zinc/65/30/15/596653015.db2.gz ODFBHDYYMKFYIJ-HNNXBMFYSA-N 1 2 349.232 1.887 20 30 EDEDLO CC(C)NC(=O)CN1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000119583133 596654696 /nfs/dbraw/zinc/65/46/96/596654696.db2.gz RSSYHWZQJWFZFF-INIZCTEOSA-N 1 2 344.459 1.620 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000119583133 596654698 /nfs/dbraw/zinc/65/46/98/596654698.db2.gz RSSYHWZQJWFZFF-INIZCTEOSA-N 1 2 344.459 1.620 20 30 EDEDLO N#Cc1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)co1 ZINC000865716602 596658253 /nfs/dbraw/zinc/65/82/53/596658253.db2.gz AWMFSUHNPBSYKO-QGZVFWFLSA-N 1 2 339.395 1.825 20 30 EDEDLO N#CCc1ccnc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000871724291 596678948 /nfs/dbraw/zinc/67/89/48/596678948.db2.gz CIMZMDATJVXGPG-OAHLLOKOSA-N 1 2 329.404 1.476 20 30 EDEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2coc(C#N)c2)CC1 ZINC000865787964 596682691 /nfs/dbraw/zinc/68/26/91/596682691.db2.gz BNMNPELNGRNDOB-UHFFFAOYSA-N 1 2 332.404 1.168 20 30 EDEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2coc(C#N)c2)CC1 ZINC000865787964 596682694 /nfs/dbraw/zinc/68/26/94/596682694.db2.gz BNMNPELNGRNDOB-UHFFFAOYSA-N 1 2 332.404 1.168 20 30 EDEDLO COc1[nH+]c(N)nc(N2CCCC2)c1CN=Nc1nc(C)cc(C)n1 ZINC000863950986 596725320 /nfs/dbraw/zinc/72/53/20/596725320.db2.gz YZOKEZGMPLGXQY-UHFFFAOYSA-N 1 2 342.407 1.520 20 30 EDEDLO C=CCn1cc(C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)nn1 ZINC000870158811 596780604 /nfs/dbraw/zinc/78/06/04/596780604.db2.gz POCGSWGXYFVBIP-UHFFFAOYSA-N 1 2 341.415 1.431 20 30 EDEDLO C[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cccc(C#N)c1O ZINC000866396014 596875074 /nfs/dbraw/zinc/87/50/74/596875074.db2.gz KLEVUUKTWVLPDS-LIRRHRJNSA-N 1 2 345.443 1.530 20 30 EDEDLO CN1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)Cc2cccnc21 ZINC000872318614 596880258 /nfs/dbraw/zinc/88/02/58/596880258.db2.gz KIIORAQXAAOQHZ-UHFFFAOYSA-N 1 2 335.411 1.521 20 30 EDEDLO CN1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)Cc2cccnc21 ZINC000872318614 596880260 /nfs/dbraw/zinc/88/02/60/596880260.db2.gz KIIORAQXAAOQHZ-UHFFFAOYSA-N 1 2 335.411 1.521 20 30 EDEDLO C#C[C@@H](NC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)C(C)C ZINC000868575601 596887448 /nfs/dbraw/zinc/88/74/48/596887448.db2.gz FPPRNXBRDQVLFR-OAHLLOKOSA-N 1 2 337.464 1.750 20 30 EDEDLO CCOC(=O)/C=C\c1ccc(C=NNCCCn2cc[nH+]c2)n1C ZINC000872387344 596896812 /nfs/dbraw/zinc/89/68/12/596896812.db2.gz JQDCKFABVXPBFB-VDGJUGIXSA-N 1 2 329.404 1.812 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c(C)[nH+]1 ZINC000874215510 596971247 /nfs/dbraw/zinc/97/12/47/596971247.db2.gz YHLINOKFOPCIDW-MRXNPFEDSA-N 1 2 334.379 1.792 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CN3CCC4(CCC4)C3=O)C2)nc1 ZINC000872613758 596991231 /nfs/dbraw/zinc/99/12/31/596991231.db2.gz QEKOFJQYEKEVQY-HNNXBMFYSA-N 1 2 326.400 1.766 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CN3CCC4(CCC4)C3=O)C2)nc1 ZINC000872613758 596991234 /nfs/dbraw/zinc/99/12/34/596991234.db2.gz QEKOFJQYEKEVQY-HNNXBMFYSA-N 1 2 326.400 1.766 20 30 EDEDLO C=CCN(C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)C(C)C ZINC000875886433 597023027 /nfs/dbraw/zinc/02/30/27/597023027.db2.gz MZUQKOMECOKEGF-QGZVFWFLSA-N 1 2 332.448 1.888 20 30 EDEDLO C=CCN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)C(C)C ZINC000875886433 597023031 /nfs/dbraw/zinc/02/30/31/597023031.db2.gz MZUQKOMECOKEGF-QGZVFWFLSA-N 1 2 332.448 1.888 20 30 EDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000874347713 597027387 /nfs/dbraw/zinc/02/73/87/597027387.db2.gz MXCWAAVLNSEILR-OAHLLOKOSA-N 1 2 344.415 1.032 20 30 EDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1C ZINC000874347713 597027389 /nfs/dbraw/zinc/02/73/89/597027389.db2.gz MXCWAAVLNSEILR-OAHLLOKOSA-N 1 2 344.415 1.032 20 30 EDEDLO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cn2cccc(C#N)c2=O)no1 ZINC000872742905 597055691 /nfs/dbraw/zinc/05/56/91/597055691.db2.gz IQBFZSSOZVFOPS-GOOCMWNKSA-N 1 2 325.372 1.780 20 30 EDEDLO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cn2cccc(C#N)c2=O)no1 ZINC000872742905 597055693 /nfs/dbraw/zinc/05/56/93/597055693.db2.gz IQBFZSSOZVFOPS-GOOCMWNKSA-N 1 2 325.372 1.780 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C[C@@H]4CCC[C@@H]4C3=O)CC2)cn1 ZINC000872797607 597074379 /nfs/dbraw/zinc/07/43/79/597074379.db2.gz ZTUSDGZECICRFC-YOEHRIQHSA-N 1 2 325.416 1.291 20 30 EDEDLO C#CCN(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000876197109 597129426 /nfs/dbraw/zinc/12/94/26/597129426.db2.gz IKQYNOYIIROYIW-GOSISDBHSA-N 1 2 329.444 1.861 20 30 EDEDLO C#CCN(CC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000876197109 597129428 /nfs/dbraw/zinc/12/94/28/597129428.db2.gz IKQYNOYIIROYIW-GOSISDBHSA-N 1 2 329.444 1.861 20 30 EDEDLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1)n1cnc(C#N)n1 ZINC000874889514 597210547 /nfs/dbraw/zinc/21/05/47/597210547.db2.gz LNVWJQROOFSGPR-SMDDNHRTSA-N 1 2 328.351 1.023 20 30 EDEDLO CCCCCCCNC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000875179686 597316677 /nfs/dbraw/zinc/31/66/77/597316677.db2.gz HZQRPBIVCOUCAA-LSDHHAIUSA-N 1 2 327.469 1.298 20 30 EDEDLO CCCCCCCNC(=O)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000875290648 597370481 /nfs/dbraw/zinc/37/04/81/597370481.db2.gz XMOXQSUCPNSNCK-OAHLLOKOSA-N 1 2 332.448 1.863 20 30 EDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877662478 597545922 /nfs/dbraw/zinc/54/59/22/597545922.db2.gz SPXWRJYKTVYCRP-LLVKDONJSA-N 1 2 342.852 1.368 20 30 EDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877662478 597545923 /nfs/dbraw/zinc/54/59/23/597545923.db2.gz SPXWRJYKTVYCRP-LLVKDONJSA-N 1 2 342.852 1.368 20 30 EDEDLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000877714415 597550105 /nfs/dbraw/zinc/55/01/05/597550105.db2.gz OBSSJRYXESXQPP-KRWDZBQOSA-N 1 2 339.355 1.100 20 30 EDEDLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000877714415 597550106 /nfs/dbraw/zinc/55/01/06/597550106.db2.gz OBSSJRYXESXQPP-KRWDZBQOSA-N 1 2 339.355 1.100 20 30 EDEDLO C=CC[N@H+](C[C@H]1CCC2(CCOCC2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000878242351 597589359 /nfs/dbraw/zinc/58/93/59/597589359.db2.gz PKKGVUCZFKCKPY-HZPDHXFCSA-N 1 2 343.489 1.637 20 30 EDEDLO C=CC[N@@H+](C[C@H]1CCC2(CCOCC2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000878242351 597589360 /nfs/dbraw/zinc/58/93/60/597589360.db2.gz PKKGVUCZFKCKPY-HZPDHXFCSA-N 1 2 343.489 1.637 20 30 EDEDLO CC1(C)C[C@H](O)C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000879620890 597660861 /nfs/dbraw/zinc/66/08/61/597660861.db2.gz MMMYTVYWGQDKMV-ZDUSSCGKSA-N 1 2 326.400 1.513 20 30 EDEDLO CC1(C)C[C@H](O)C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000879620890 597660865 /nfs/dbraw/zinc/66/08/65/597660865.db2.gz MMMYTVYWGQDKMV-ZDUSSCGKSA-N 1 2 326.400 1.513 20 30 EDEDLO Cc1cccn2cc(CC(=O)N3C[C@H](C)N(CC#N)[C@@H](C)C3)[nH+]c12 ZINC000880458091 597938276 /nfs/dbraw/zinc/93/82/76/597938276.db2.gz DIZVGUDNDSLFJN-GJZGRUSLSA-N 1 2 325.416 1.630 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC3(CC2)COCCO3)c(C#N)c1C ZINC000880540770 597959468 /nfs/dbraw/zinc/95/94/68/597959468.db2.gz BJFWOWAXKCJOEY-UHFFFAOYSA-N 1 2 333.388 1.588 20 30 EDEDLO COC(=O)[C@]1(O)CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000880565794 597965655 /nfs/dbraw/zinc/96/56/55/597965655.db2.gz PNMLSFDTIHBHNA-AWEZNQCLSA-N 1 2 339.189 1.431 20 30 EDEDLO COC(=O)[C@]1(O)CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000880565794 597965656 /nfs/dbraw/zinc/96/56/56/597965656.db2.gz PNMLSFDTIHBHNA-AWEZNQCLSA-N 1 2 339.189 1.431 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000884065444 597984199 /nfs/dbraw/zinc/98/41/99/597984199.db2.gz OYTLLEZUVMNLON-HZMBPMFUSA-N 1 2 326.343 1.931 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000884121201 598000430 /nfs/dbraw/zinc/00/04/30/598000430.db2.gz JBFHUSMAHGITRQ-LSDHHAIUSA-N 1 2 336.363 1.172 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000884319389 598065044 /nfs/dbraw/zinc/06/50/44/598065044.db2.gz UHUAQBROIPKGGI-RISCZKNCSA-N 1 2 338.354 1.727 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(c2ccccc2OC)CCC1 ZINC000884323073 598066706 /nfs/dbraw/zinc/06/67/06/598066706.db2.gz DUHKMMIMQDSPPQ-HNNXBMFYSA-N 1 2 346.427 1.680 20 30 EDEDLO C=CCC1(O)CC[NH+](CN2C(=O)N[C@](CCC)(C3CC3)C2=O)CC1 ZINC000884479505 598116837 /nfs/dbraw/zinc/11/68/37/598116837.db2.gz JJUMEWIDMLAQJR-GOSISDBHSA-N 1 2 335.448 1.848 20 30 EDEDLO C=CCCO[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060462452 695230882 /nfs/dbraw/zinc/23/08/82/695230882.db2.gz CTFFCDUVZQTJFS-HUUCEWRRSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001031077313 695478619 /nfs/dbraw/zinc/47/86/19/695478619.db2.gz NMMHRDQQHXWCNM-IRXDYDNUSA-N 1 2 332.448 1.134 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[NH+](CCn2nc(C)cc2C)C1 ZINC001031089365 695494243 /nfs/dbraw/zinc/49/42/43/695494243.db2.gz IMDOHNRAMXKXMA-IRXDYDNUSA-N 1 2 332.448 1.282 20 30 EDEDLO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)nn1C ZINC000993206928 695798540 /nfs/dbraw/zinc/79/85/40/695798540.db2.gz ULSZSUAWHSKWHJ-CXAGYDPISA-N 1 2 340.431 1.711 20 30 EDEDLO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)nn1C ZINC000993206928 695798542 /nfs/dbraw/zinc/79/85/42/695798542.db2.gz ULSZSUAWHSKWHJ-CXAGYDPISA-N 1 2 340.431 1.711 20 30 EDEDLO Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)cn1 ZINC000993232629 695851906 /nfs/dbraw/zinc/85/19/06/695851906.db2.gz KIUJHYRCFWUADK-CJNGLKHVSA-N 1 2 338.415 1.768 20 30 EDEDLO Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)cn1 ZINC000993232629 695851909 /nfs/dbraw/zinc/85/19/09/695851909.db2.gz KIUJHYRCFWUADK-CJNGLKHVSA-N 1 2 338.415 1.768 20 30 EDEDLO C#CCOc1ncccc1C(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001031276204 696103801 /nfs/dbraw/zinc/10/38/01/696103801.db2.gz PZNJPDZBPLHASH-HNNXBMFYSA-N 1 2 329.400 1.077 20 30 EDEDLO C=CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)[C@@H]2C)cc1 ZINC000993518748 696200175 /nfs/dbraw/zinc/20/01/75/696200175.db2.gz IWLFWGFIDXMCGR-CZUORRHYSA-N 1 2 331.416 1.319 20 30 EDEDLO C=CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)[C@@H]2C)cc1 ZINC000993518748 696200177 /nfs/dbraw/zinc/20/01/77/696200177.db2.gz IWLFWGFIDXMCGR-CZUORRHYSA-N 1 2 331.416 1.319 20 30 EDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H]1C ZINC000993573230 696227562 /nfs/dbraw/zinc/22/75/62/696227562.db2.gz SVPHIXQFQIDJSN-NVXWUHKLSA-N 1 2 346.475 1.367 20 30 EDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)[C@H]1C ZINC000993573230 696227564 /nfs/dbraw/zinc/22/75/64/696227564.db2.gz SVPHIXQFQIDJSN-NVXWUHKLSA-N 1 2 346.475 1.367 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnon2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000994032761 696488940 /nfs/dbraw/zinc/48/89/40/696488940.db2.gz BDOLWJSZQHTIQM-IUODEOHRSA-N 1 2 325.372 1.724 20 30 EDEDLO C[C@@H]1[C@H](NC(=O)c2cnon2)CCC[N@H+]1Cc1ccccc1C#N ZINC000994032761 696488941 /nfs/dbraw/zinc/48/89/41/696488941.db2.gz BDOLWJSZQHTIQM-IUODEOHRSA-N 1 2 325.372 1.724 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2COCCO2)CC1=O ZINC000917141499 696953404 /nfs/dbraw/zinc/95/34/04/696953404.db2.gz XXDVTJRLWYKGLL-LBPRGKRZSA-N 1 2 342.399 1.062 20 30 EDEDLO Cc1cc(=NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)[nH]n1CCC#N ZINC000444955801 697203645 /nfs/dbraw/zinc/20/36/45/697203645.db2.gz AAVGSOKIKLGQTG-CQSZACIVSA-N 1 2 341.419 1.672 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3ccc(=O)[nH]n3)C2)cc1F ZINC001031532139 697217217 /nfs/dbraw/zinc/21/72/17/697217217.db2.gz MTXADKVWAWMLBT-UHFFFAOYSA-N 1 2 341.346 1.055 20 30 EDEDLO Cn1nccc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031576089 697271342 /nfs/dbraw/zinc/27/13/42/697271342.db2.gz USAXTGIKTRNFBR-UHFFFAOYSA-N 1 2 327.363 1.293 20 30 EDEDLO Cn1nccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001031575622 697272359 /nfs/dbraw/zinc/27/23/59/697272359.db2.gz ADAIPSJTVFKJMY-UHFFFAOYSA-N 1 2 327.363 1.293 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCCOCC2)C1 ZINC001031640290 697389340 /nfs/dbraw/zinc/38/93/40/697389340.db2.gz AFMSYDLTAAZQIZ-INIZCTEOSA-N 1 2 327.428 1.923 20 30 EDEDLO Cc1ccnc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001031641851 697392685 /nfs/dbraw/zinc/39/26/85/697392685.db2.gz POLYSZFYLDKOCM-UHFFFAOYSA-N 1 2 338.386 1.637 20 30 EDEDLO COc1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)ncn1 ZINC001031674158 697482852 /nfs/dbraw/zinc/48/28/52/697482852.db2.gz FZORAZZYMVQPIO-UHFFFAOYSA-N 1 2 337.383 1.219 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCC[C@H](C#N)C2)nc[nH+]1 ZINC000920835823 697484479 /nfs/dbraw/zinc/48/44/79/697484479.db2.gz NNKIODVAKMANJH-ZIAGYGMSSA-N 1 2 343.435 1.432 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N2CCC[C@H](C#N)C2)[nH+]cn1 ZINC000920835823 697484481 /nfs/dbraw/zinc/48/44/81/697484481.db2.gz NNKIODVAKMANJH-ZIAGYGMSSA-N 1 2 343.435 1.432 20 30 EDEDLO C#CCN(C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(C)C ZINC000920836855 697484709 /nfs/dbraw/zinc/48/47/09/697484709.db2.gz WPYHBJPAFVPDJM-CQSZACIVSA-N 1 2 330.436 1.540 20 30 EDEDLO C#CCN(C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)C(C)C ZINC000920836855 697484711 /nfs/dbraw/zinc/48/47/11/697484711.db2.gz WPYHBJPAFVPDJM-CQSZACIVSA-N 1 2 330.436 1.540 20 30 EDEDLO CCn1nnc(C)c1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031727789 697946955 /nfs/dbraw/zinc/94/69/55/697946955.db2.gz TWYWUHXHZIMYPT-UHFFFAOYSA-N 1 2 344.444 1.401 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@]34CCOC4)C2)c(F)c1 ZINC001032115200 698969801 /nfs/dbraw/zinc/96/98/01/698969801.db2.gz MAFQLFMYDNYXMD-LPHOPBHVSA-N 1 2 343.402 1.672 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3C[C@@]34CCOC4)C2)c1 ZINC001032115655 698972926 /nfs/dbraw/zinc/97/29/26/698972926.db2.gz OGNGJHBGARUMJK-VQIMIIECSA-N 1 2 343.402 1.672 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4cc(F)ccc43)CC2)C1 ZINC000941489481 701556756 /nfs/dbraw/zinc/55/67/56/701556756.db2.gz ISTULCZGQJTDKA-IBGZPJMESA-N 1 2 341.430 1.317 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)C1 ZINC000941538687 701569859 /nfs/dbraw/zinc/56/98/59/701569859.db2.gz JJFMZLDTQOAOOS-UHFFFAOYSA-N 1 2 347.409 1.359 20 30 EDEDLO C[C@@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)CO1 ZINC001031791065 699245974 /nfs/dbraw/zinc/24/59/74/699245974.db2.gz XPKGPZCPYYYVGK-MLGOLLRUSA-N 1 2 331.391 1.670 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3sc(C)cc3OC)CC2)C1 ZINC000941596083 701587650 /nfs/dbraw/zinc/58/76/50/701587650.db2.gz VYPLKMNYPJCBSC-UHFFFAOYSA-N 1 2 333.457 1.140 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccc(CC)cc3)CC2)C1 ZINC000941587301 701591198 /nfs/dbraw/zinc/59/11/98/701591198.db2.gz PCLGWNYRKFHIQP-UHFFFAOYSA-N 1 2 339.483 1.643 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](F)c3ccccc3)CC2)C1 ZINC000941587661 701591264 /nfs/dbraw/zinc/59/12/64/701591264.db2.gz UGBZPVXUQTWLTR-GOSISDBHSA-N 1 2 329.419 1.549 20 30 EDEDLO C=C1CCC(C(=O)N(C)[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000939306673 699493974 /nfs/dbraw/zinc/49/39/74/699493974.db2.gz KENIPRHVAJFKPU-HNNXBMFYSA-N 1 2 330.432 1.758 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCO[C@@H](CCC)C3)CC2)C1 ZINC000941617798 701597872 /nfs/dbraw/zinc/59/78/72/701597872.db2.gz HLYQBNKPKZRDIY-WMZOPIPTSA-N 1 2 333.476 1.043 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccoc3CCC)CC2)C1 ZINC000941638946 701602892 /nfs/dbraw/zinc/60/28/92/701602892.db2.gz KJLFZAMAMVFPBD-UHFFFAOYSA-N 1 2 329.444 1.697 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@]3(CC)C(C)C)CC2)C1 ZINC000941622313 701604386 /nfs/dbraw/zinc/60/43/86/701604386.db2.gz GSORWIIXKMIUDL-UYAOXDASSA-N 1 2 331.504 1.910 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)C1 ZINC000941660571 701608001 /nfs/dbraw/zinc/60/80/01/701608001.db2.gz QVZJJOGVRODMLX-UHFFFAOYSA-N 1 2 333.382 1.430 20 30 EDEDLO Cn1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)cc1Cl ZINC001031833108 699750470 /nfs/dbraw/zinc/75/04/70/699750470.db2.gz BBJQAUARKZLFJJ-UHFFFAOYSA-N 1 2 349.847 1.868 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)C1 ZINC000941650762 701611621 /nfs/dbraw/zinc/61/16/21/701611621.db2.gz FIEQDBFAGZPISK-UHFFFAOYSA-N 1 2 340.471 1.218 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3sccc3C(C)C)CC2)C1 ZINC000941677140 701615719 /nfs/dbraw/zinc/61/57/19/701615719.db2.gz MBCOJOQPANRCQW-UHFFFAOYSA-N 1 2 331.485 1.947 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)C1 ZINC000945513068 700396516 /nfs/dbraw/zinc/39/65/16/700396516.db2.gz LHFRKRFWFFDHNB-CABCVRRESA-N 1 2 330.432 1.593 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(CC)c(CC)c3)CC2)C1 ZINC000941692962 701637255 /nfs/dbraw/zinc/63/72/55/701637255.db2.gz QKRRPKCPSADXJS-UHFFFAOYSA-N 1 2 339.483 1.887 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CCC(C(=O)N(C)C)CC2)C1 ZINC001032122275 701655323 /nfs/dbraw/zinc/65/53/23/701655323.db2.gz GNOBVZFEXRNVDI-UHFFFAOYSA-N 1 2 341.883 1.682 20 30 EDEDLO CC1(C)C[N@H+](Cc2ncccn2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940693366 700835454 /nfs/dbraw/zinc/83/54/54/700835454.db2.gz RPAMBZPSJDJNBQ-OAHLLOKOSA-N 1 2 338.415 1.707 20 30 EDEDLO CC1(C)C[N@@H+](Cc2ncccn2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940693366 700835457 /nfs/dbraw/zinc/83/54/57/700835457.db2.gz RPAMBZPSJDJNBQ-OAHLLOKOSA-N 1 2 338.415 1.707 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC000946004095 701355149 /nfs/dbraw/zinc/35/51/49/701355149.db2.gz XXJPJGOLLYYLFR-GDBMZVCRSA-N 1 2 344.459 1.624 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCN(C2C[NH+](Cc3ccccc3Cl)C2)CC1 ZINC000941348223 701482742 /nfs/dbraw/zinc/48/27/42/701482742.db2.gz JWZGCYOZDCSIAI-CQSZACIVSA-N 1 2 346.862 1.828 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc4scnc43)CC2)C1 ZINC000941408793 701521452 /nfs/dbraw/zinc/52/14/52/701521452.db2.gz USLOZFOBXYXKIG-UHFFFAOYSA-N 1 2 340.452 1.372 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(Cl)n[nH]c3C3CC3)CC2)C1 ZINC000941432936 701538707 /nfs/dbraw/zinc/53/87/07/701538707.db2.gz IRUHFBFETKDRLK-UHFFFAOYSA-N 1 2 347.850 1.016 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3coc4c3cccc4C)CC2)C1 ZINC000941438472 701540893 /nfs/dbraw/zinc/54/08/93/701540893.db2.gz YBSPFCROVHZNFQ-UHFFFAOYSA-N 1 2 337.423 1.816 20 30 EDEDLO C=C1CCC(C(=O)NCC2C[NH+](CC(=O)N3CCO[C@@H](C)C3)C2)CC1 ZINC001031952019 701543016 /nfs/dbraw/zinc/54/30/16/701543016.db2.gz VAGDWHIZTJIURF-HNNXBMFYSA-N 1 2 349.475 1.028 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4oc(C)nc4c3)CC2)C1 ZINC000941450604 701546943 /nfs/dbraw/zinc/54/69/43/701546943.db2.gz AQAPFUCBDBDWHW-UHFFFAOYSA-N 1 2 338.411 1.211 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(OC)nc3)C2)cn1 ZINC001032137175 701902139 /nfs/dbraw/zinc/90/21/39/701902139.db2.gz LYTLHSJROOQRSZ-UHFFFAOYSA-N 1 2 336.395 1.328 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H](C)C1 ZINC000944047512 702014009 /nfs/dbraw/zinc/01/40/09/702014009.db2.gz SNCDYQGWQMKFJT-ONGXEEELSA-N 1 2 342.241 1.082 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)[C@@H](C)C1 ZINC000944047512 702014004 /nfs/dbraw/zinc/01/40/04/702014004.db2.gz SNCDYQGWQMKFJT-ONGXEEELSA-N 1 2 342.241 1.082 20 30 EDEDLO Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](C)C1 ZINC000941930349 702158799 /nfs/dbraw/zinc/15/87/99/702158799.db2.gz SBGFHNHROOEWQX-GWCFXTLKSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nonc1C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H](C)C1 ZINC000941930349 702158802 /nfs/dbraw/zinc/15/88/02/702158802.db2.gz SBGFHNHROOEWQX-GWCFXTLKSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)nc1 ZINC000941968843 702230228 /nfs/dbraw/zinc/23/02/28/702230228.db2.gz YKKUOHDIHFFYIM-ZFWWWQNUSA-N 1 2 338.415 1.625 20 30 EDEDLO Cc1cnc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H](C)C2)nc1 ZINC000941968843 702230231 /nfs/dbraw/zinc/23/02/31/702230231.db2.gz YKKUOHDIHFFYIM-ZFWWWQNUSA-N 1 2 338.415 1.625 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)C[C@@H]2C)nc1 ZINC000944192316 702484216 /nfs/dbraw/zinc/48/42/16/702484216.db2.gz KBRYDYFKMAQNAM-SWLSCSKDSA-N 1 2 325.372 1.086 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)C[C@@H]2C)nc1 ZINC000944192316 702484217 /nfs/dbraw/zinc/48/42/17/702484217.db2.gz KBRYDYFKMAQNAM-SWLSCSKDSA-N 1 2 325.372 1.086 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C[C@@H]2C)nc1 ZINC000944193278 702488593 /nfs/dbraw/zinc/48/85/93/702488593.db2.gz UHOPTUCDHAXIHG-WFASDCNBSA-N 1 2 338.415 1.130 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)C[C@@H]2C)nc1 ZINC000944193278 702488596 /nfs/dbraw/zinc/48/85/96/702488596.db2.gz UHOPTUCDHAXIHG-WFASDCNBSA-N 1 2 338.415 1.130 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](C)C1 ZINC000942498485 702988941 /nfs/dbraw/zinc/98/89/41/702988941.db2.gz ZMCYVHGVEVDSIX-ZYHUDNBSSA-N 1 2 340.807 1.841 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](C)C1 ZINC000942498485 702988943 /nfs/dbraw/zinc/98/89/43/702988943.db2.gz ZMCYVHGVEVDSIX-ZYHUDNBSSA-N 1 2 340.807 1.841 20 30 EDEDLO CN(C)c1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)ccn1 ZINC001032021622 703008472 /nfs/dbraw/zinc/00/84/72/703008472.db2.gz CZDNQKPOKZWPHK-UHFFFAOYSA-N 1 2 349.438 1.881 20 30 EDEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000735289146 703160610 /nfs/dbraw/zinc/16/06/10/703160610.db2.gz HWWCSFNQHDFKRF-ZBFHGGJFSA-N 1 2 333.457 1.509 20 30 EDEDLO C[C@@H]1CN(C(=O)CSCC#N)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000735289146 703160611 /nfs/dbraw/zinc/16/06/11/703160611.db2.gz HWWCSFNQHDFKRF-ZBFHGGJFSA-N 1 2 333.457 1.509 20 30 EDEDLO Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001032362579 703226224 /nfs/dbraw/zinc/22/62/24/703226224.db2.gz IANUCULWKFDTGR-STQMWFEESA-N 1 2 327.413 1.750 20 30 EDEDLO Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001032362579 703226227 /nfs/dbraw/zinc/22/62/27/703226227.db2.gz IANUCULWKFDTGR-STQMWFEESA-N 1 2 327.413 1.750 20 30 EDEDLO CC#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060784479 703280774 /nfs/dbraw/zinc/28/07/74/703280774.db2.gz GAHATDHRGLQHLL-WKILWMFISA-N 1 2 344.459 1.937 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1ccc2nncn2c1 ZINC001032050115 703338397 /nfs/dbraw/zinc/33/83/97/703338397.db2.gz LNGMOSQQITXOJW-UHFFFAOYSA-N 1 2 345.406 1.443 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CO[C@@H]2CCOC2)c1 ZINC001032400412 703414871 /nfs/dbraw/zinc/41/48/71/703414871.db2.gz HROYGDIDEHODBS-OKZBNKHCSA-N 1 2 341.411 1.149 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CO[C@@H]2CCOC2)c1 ZINC001032400412 703414873 /nfs/dbraw/zinc/41/48/73/703414873.db2.gz HROYGDIDEHODBS-OKZBNKHCSA-N 1 2 341.411 1.149 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc[nH]c2)cc1C#N ZINC001032415410 703491898 /nfs/dbraw/zinc/49/18/98/703491898.db2.gz WNVHMBTWIWJSGN-IRXDYDNUSA-N 1 2 336.395 1.994 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc[nH]c2)cc1C#N ZINC001032415410 703491899 /nfs/dbraw/zinc/49/18/99/703491899.db2.gz WNVHMBTWIWJSGN-IRXDYDNUSA-N 1 2 336.395 1.994 20 30 EDEDLO CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)nn1 ZINC001032705564 706756119 /nfs/dbraw/zinc/75/61/19/706756119.db2.gz ZFPGFLMERNTSMG-HOTGVXAUSA-N 1 2 336.399 1.269 20 30 EDEDLO CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)nn1 ZINC001032705564 706756122 /nfs/dbraw/zinc/75/61/22/706756122.db2.gz ZFPGFLMERNTSMG-HOTGVXAUSA-N 1 2 336.399 1.269 20 30 EDEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CC[NH+](Cc2nncn2C)CC1 ZINC000997549196 703813316 /nfs/dbraw/zinc/81/33/16/703813316.db2.gz GZJCECLLNKWOOV-LBPRGKRZSA-N 1 2 341.419 1.045 20 30 EDEDLO CC(=O)Nc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C)C#N)CC2(C)C)cs1 ZINC000995565879 704004620 /nfs/dbraw/zinc/00/46/20/704004620.db2.gz SRDGSTVEAMVOMO-GXFFZTMASA-N 1 2 349.460 1.588 20 30 EDEDLO CCN1C[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CC1=O ZINC001004448402 704433525 /nfs/dbraw/zinc/43/35/25/704433525.db2.gz YHVPDDYKLSTXPQ-HOTGVXAUSA-N 1 2 332.448 1.081 20 30 EDEDLO CCN1C[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CC1=O ZINC001004448402 704433526 /nfs/dbraw/zinc/43/35/26/704433526.db2.gz YHVPDDYKLSTXPQ-HOTGVXAUSA-N 1 2 332.448 1.081 20 30 EDEDLO C=C(Br)C[NH+]1CCC([C@H](C)NC(=O)c2nnc[nH]2)CC1 ZINC000997799887 704712272 /nfs/dbraw/zinc/71/22/72/704712272.db2.gz VBOAZBQNGBUTIZ-JTQLQIEISA-N 1 2 342.241 1.544 20 30 EDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC000944945071 704797892 /nfs/dbraw/zinc/79/78/92/704797892.db2.gz UHGKWBOUYUVBHT-ZIAGYGMSSA-N 1 2 343.431 1.199 20 30 EDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC000944945071 704797893 /nfs/dbraw/zinc/79/78/93/704797893.db2.gz UHGKWBOUYUVBHT-ZIAGYGMSSA-N 1 2 343.431 1.199 20 30 EDEDLO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1)c1cncnc1 ZINC001032585691 705066860 /nfs/dbraw/zinc/06/68/60/705066860.db2.gz RTKOMRISBLULFU-JVPBZIDWSA-N 1 2 347.422 1.937 20 30 EDEDLO C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1)c1cncnc1 ZINC001032585691 705066864 /nfs/dbraw/zinc/06/68/64/705066864.db2.gz RTKOMRISBLULFU-JVPBZIDWSA-N 1 2 347.422 1.937 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000998025335 705210864 /nfs/dbraw/zinc/21/08/64/705210864.db2.gz IUQCHCGXXHVOOY-HZPDHXFCSA-N 1 2 340.489 1.290 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCCS2(=O)=O)CC1 ZINC000998025335 705210865 /nfs/dbraw/zinc/21/08/65/705210865.db2.gz IUQCHCGXXHVOOY-HZPDHXFCSA-N 1 2 340.489 1.290 20 30 EDEDLO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000995674505 705234252 /nfs/dbraw/zinc/23/42/52/705234252.db2.gz FKNRPQWDDGRVFF-ZDUSSCGKSA-N 1 2 330.417 1.378 20 30 EDEDLO CC(C)(C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NCC#N)C1)c1c[nH+]c[nH]1 ZINC000998303178 705714246 /nfs/dbraw/zinc/71/42/46/705714246.db2.gz KZRAXADTEOREMD-MNOVXSKESA-N 1 2 343.353 1.580 20 30 EDEDLO CC(C)c1nc(C[NH2+]C2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)no1 ZINC000998603125 706038130 /nfs/dbraw/zinc/03/81/30/706038130.db2.gz DNXLUQCYMWLSCQ-UHFFFAOYSA-N 1 2 342.403 1.786 20 30 EDEDLO Cc1nn[nH]c1C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC000999862657 707501222 /nfs/dbraw/zinc/50/12/22/707501222.db2.gz DYPJJRJCBGDLHN-HNNXBMFYSA-N 1 2 342.378 1.518 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999358896 706848880 /nfs/dbraw/zinc/84/88/80/706848880.db2.gz KIOMUGSIKPSMPX-ZDUSSCGKSA-N 1 2 331.445 1.920 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](C)[C@H](NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001005057943 707235888 /nfs/dbraw/zinc/23/58/88/707235888.db2.gz SOXJNYQVZUZXBV-GDBMZVCRSA-N 1 2 344.459 1.672 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001033291716 707392472 /nfs/dbraw/zinc/39/24/72/707392472.db2.gz QOIUMHCLTUWFBZ-ZDUSSCGKSA-N 1 2 349.822 1.974 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnoc2-c2cnn(C)c2)C1 ZINC001033291716 707392475 /nfs/dbraw/zinc/39/24/75/707392475.db2.gz QOIUMHCLTUWFBZ-ZDUSSCGKSA-N 1 2 349.822 1.974 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1C ZINC001005109451 707582730 /nfs/dbraw/zinc/58/27/30/707582730.db2.gz JDHPWOCBSIXXAC-MLGOLLRUSA-N 1 2 328.416 1.027 20 30 EDEDLO C=CCC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001061591172 707605662 /nfs/dbraw/zinc/60/56/62/707605662.db2.gz CMIAKNQYLVJCRO-HNNXBMFYSA-N 1 2 348.447 1.288 20 30 EDEDLO C=CCC(C)(C)C(=O)NC[C@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001061591172 707605667 /nfs/dbraw/zinc/60/56/67/707605667.db2.gz CMIAKNQYLVJCRO-HNNXBMFYSA-N 1 2 348.447 1.288 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033216016 707715512 /nfs/dbraw/zinc/71/55/12/707715512.db2.gz GUODKNVYTVLASH-HNNXBMFYSA-N 1 2 327.363 1.142 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033216016 707715516 /nfs/dbraw/zinc/71/55/16/707715516.db2.gz GUODKNVYTVLASH-HNNXBMFYSA-N 1 2 327.363 1.142 20 30 EDEDLO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001033469862 707930441 /nfs/dbraw/zinc/93/04/41/707930441.db2.gz RPZNFQMZRJZYDC-GFCCVEGCSA-N 1 2 326.418 1.406 20 30 EDEDLO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001033469862 707930442 /nfs/dbraw/zinc/93/04/42/707930442.db2.gz RPZNFQMZRJZYDC-GFCCVEGCSA-N 1 2 326.418 1.406 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC001060956864 708048279 /nfs/dbraw/zinc/04/82/79/708048279.db2.gz ALGNGZWYMUXADM-GFCCVEGCSA-N 1 2 328.420 1.836 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3ncnn3C)CC2)cc1 ZINC001001703610 708225428 /nfs/dbraw/zinc/22/54/28/708225428.db2.gz YFMAJYREADJYPG-UHFFFAOYSA-N 1 2 337.427 1.438 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cnc(C)nc3)C2)cn1 ZINC001033600211 708318612 /nfs/dbraw/zinc/31/86/12/708318612.db2.gz ZEHGEPUZBAXTBA-SFHVURJKSA-N 1 2 335.411 1.508 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)cn1 ZINC001033600211 708318615 /nfs/dbraw/zinc/31/86/15/708318615.db2.gz ZEHGEPUZBAXTBA-SFHVURJKSA-N 1 2 335.411 1.508 20 30 EDEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001061042914 708513643 /nfs/dbraw/zinc/51/36/43/708513643.db2.gz HCEHXBTZSBEWPQ-HZPDHXFCSA-N 1 2 344.459 1.792 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033707204 708539342 /nfs/dbraw/zinc/53/93/42/708539342.db2.gz WYPSFZKFBAFBEI-LLVKDONJSA-N 1 2 331.401 1.658 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033707204 708539343 /nfs/dbraw/zinc/53/93/43/708539343.db2.gz WYPSFZKFBAFBEI-LLVKDONJSA-N 1 2 331.401 1.658 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCN(C(=O)C#CC(C)C)CC2 ZINC001061065412 708774968 /nfs/dbraw/zinc/77/49/68/708774968.db2.gz VUIYSMHXBYSFQL-UHFFFAOYSA-N 1 2 342.443 1.371 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033801810 708795004 /nfs/dbraw/zinc/79/50/04/708795004.db2.gz ZPEJSNLXQQAZCI-MRXNPFEDSA-N 1 2 340.431 1.665 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033801810 708795005 /nfs/dbraw/zinc/79/50/05/708795005.db2.gz ZPEJSNLXQQAZCI-MRXNPFEDSA-N 1 2 340.431 1.665 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cnn(C)c2C)CC1 ZINC001002351487 708846208 /nfs/dbraw/zinc/84/62/08/708846208.db2.gz UZQRNTRDRXMINP-UHFFFAOYSA-N 1 2 341.253 1.831 20 30 EDEDLO CC(C)(C)C#CC(=O)N1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001061099697 709081827 /nfs/dbraw/zinc/08/18/27/709081827.db2.gz RKANRIWVLVILEI-UHFFFAOYSA-N 1 2 342.443 1.453 20 30 EDEDLO N#Cc1nccnc1N[C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001061106936 709130186 /nfs/dbraw/zinc/13/01/86/709130186.db2.gz DMRPCPPQUWNLMO-NWDGAFQWSA-N 1 2 325.376 1.153 20 30 EDEDLO N#Cc1cncc(N[C@@H]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001061107676 709135811 /nfs/dbraw/zinc/13/58/11/709135811.db2.gz NUTPOHLGHQVQRV-NEPJUHHUSA-N 1 2 325.376 1.153 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001002629854 709205628 /nfs/dbraw/zinc/20/56/28/709205628.db2.gz PLSYQBDNHMXAHN-UHFFFAOYSA-N 1 2 337.221 1.989 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001034121565 709385576 /nfs/dbraw/zinc/38/55/76/709385576.db2.gz KHXVYNLMAUJZJF-GFCCVEGCSA-N 1 2 327.226 1.903 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001034121565 709385580 /nfs/dbraw/zinc/38/55/80/709385580.db2.gz KHXVYNLMAUJZJF-GFCCVEGCSA-N 1 2 327.226 1.903 20 30 EDEDLO O=C(NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002781529 709386758 /nfs/dbraw/zinc/38/67/58/709386758.db2.gz FGUQNNXIVQFXNP-IAGOWNOFSA-N 1 2 345.374 1.423 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001002783013 709389151 /nfs/dbraw/zinc/38/91/51/709389151.db2.gz VCGLVFLBVOLRAD-HNNXBMFYSA-N 1 2 344.459 1.622 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001002792951 709401249 /nfs/dbraw/zinc/40/12/49/709401249.db2.gz PZNWIPZTUBEBEO-GDBMZVCRSA-N 1 2 346.362 1.443 20 30 EDEDLO Cc1ccnc(C[N@@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034172923 709488465 /nfs/dbraw/zinc/48/84/65/709488465.db2.gz QOBXYWGEAUXDIZ-OAHLLOKOSA-N 1 2 338.415 1.769 20 30 EDEDLO Cc1ccnc(C[N@H+]2CCCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 ZINC001034172923 709488467 /nfs/dbraw/zinc/48/84/67/709488467.db2.gz QOBXYWGEAUXDIZ-OAHLLOKOSA-N 1 2 338.415 1.769 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001034206815 709553300 /nfs/dbraw/zinc/55/33/00/709553300.db2.gz LWDJUBGOYCHZFI-ZDUSSCGKSA-N 1 2 337.855 1.879 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001034206815 709553305 /nfs/dbraw/zinc/55/33/05/709553305.db2.gz LWDJUBGOYCHZFI-ZDUSSCGKSA-N 1 2 337.855 1.879 20 30 EDEDLO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001034216482 709571754 /nfs/dbraw/zinc/57/17/54/709571754.db2.gz HEJPFLWODNGJIA-CQSZACIVSA-N 1 2 340.445 1.844 20 30 EDEDLO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001034216482 709571757 /nfs/dbraw/zinc/57/17/57/709571757.db2.gz HEJPFLWODNGJIA-CQSZACIVSA-N 1 2 340.445 1.844 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001034375497 709870265 /nfs/dbraw/zinc/87/02/65/709870265.db2.gz CDMUBGXGGOONSB-OAHLLOKOSA-N 1 2 347.463 1.326 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001034375497 709870270 /nfs/dbraw/zinc/87/02/70/709870270.db2.gz CDMUBGXGGOONSB-OAHLLOKOSA-N 1 2 347.463 1.326 20 30 EDEDLO N#CCN1CCCC[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001034361909 709876884 /nfs/dbraw/zinc/87/68/84/709876884.db2.gz UUHUHIRXOOYLKY-DOTOQJQBSA-N 1 2 334.464 1.124 20 30 EDEDLO N#CCN1CCCC[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001034361909 709876890 /nfs/dbraw/zinc/87/68/90/709876890.db2.gz UUHUHIRXOOYLKY-DOTOQJQBSA-N 1 2 334.464 1.124 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](CCS(C)(=O)=O)C2)C1 ZINC001034388696 709918202 /nfs/dbraw/zinc/91/82/02/709918202.db2.gz IWHAJPFARQBABN-AWEZNQCLSA-N 1 2 328.478 1.358 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](CCS(C)(=O)=O)C2)C1 ZINC001034388696 709918203 /nfs/dbraw/zinc/91/82/03/709918203.db2.gz IWHAJPFARQBABN-AWEZNQCLSA-N 1 2 328.478 1.358 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001034409714 709926217 /nfs/dbraw/zinc/92/62/17/709926217.db2.gz WZLIRAUEOBMOQQ-JQHSSLGASA-N 1 2 346.475 1.965 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccn(CC)n2)C1 ZINC001034409714 709926221 /nfs/dbraw/zinc/92/62/21/709926221.db2.gz WZLIRAUEOBMOQQ-JQHSSLGASA-N 1 2 346.475 1.965 20 30 EDEDLO CN(c1ccc(C#N)nn1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001061245915 709944226 /nfs/dbraw/zinc/94/42/26/709944226.db2.gz YFBZJQYHFTWVLS-OAHLLOKOSA-N 1 2 339.403 1.062 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](Cc3nccn3C)C2)cn1 ZINC001034498059 710121998 /nfs/dbraw/zinc/12/19/98/710121998.db2.gz HIVNRAWNMDPZTD-KRWDZBQOSA-N 1 2 337.427 1.581 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](Cc3nccn3C)C2)cn1 ZINC001034498059 710121999 /nfs/dbraw/zinc/12/19/99/710121999.db2.gz HIVNRAWNMDPZTD-KRWDZBQOSA-N 1 2 337.427 1.581 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001034531555 710189386 /nfs/dbraw/zinc/18/93/86/710189386.db2.gz LHKQYQKJFBROQJ-CQSZACIVSA-N 1 2 336.823 1.517 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cncc(C(N)=O)c2)C1 ZINC001034531555 710189387 /nfs/dbraw/zinc/18/93/87/710189387.db2.gz LHKQYQKJFBROQJ-CQSZACIVSA-N 1 2 336.823 1.517 20 30 EDEDLO CN(c1ccc(C#N)nn1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001061280739 710424692 /nfs/dbraw/zinc/42/46/92/710424692.db2.gz DHCLVTKHJQEYKX-HNNXBMFYSA-N 1 2 339.403 1.131 20 30 EDEDLO CN(c1ccc(C#N)nn1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001061280739 710424694 /nfs/dbraw/zinc/42/46/94/710424694.db2.gz DHCLVTKHJQEYKX-HNNXBMFYSA-N 1 2 339.403 1.131 20 30 EDEDLO C=CCn1cc(C(=O)NC2CC[NH+]([C@H](C)c3nnc(C)o3)CC2)nn1 ZINC001003754867 710536834 /nfs/dbraw/zinc/53/68/34/710536834.db2.gz HVWZHRVIZSVKFP-LLVKDONJSA-N 1 2 345.407 1.111 20 30 EDEDLO Cn1ncc(C(=O)NC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC001003792276 710563781 /nfs/dbraw/zinc/56/37/81/710563781.db2.gz YEFKIZYIEPIJCM-UHFFFAOYSA-N 1 2 342.378 1.220 20 30 EDEDLO CN(C(=O)c1ccn[nH]1)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032923392 710801888 /nfs/dbraw/zinc/80/18/88/710801888.db2.gz DJECFEXLXXMHBG-AWEZNQCLSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1ccn[nH]1)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032923392 710801891 /nfs/dbraw/zinc/80/18/91/710801891.db2.gz DJECFEXLXXMHBG-AWEZNQCLSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1cc[nH]n1)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032923392 710801894 /nfs/dbraw/zinc/80/18/94/710801894.db2.gz DJECFEXLXXMHBG-AWEZNQCLSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1cc[nH]n1)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001032923392 710801895 /nfs/dbraw/zinc/80/18/95/710801895.db2.gz DJECFEXLXXMHBG-AWEZNQCLSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032924723 710810646 /nfs/dbraw/zinc/81/06/46/710810646.db2.gz LTEOTAXHJQGATQ-CQSZACIVSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032924723 710810649 /nfs/dbraw/zinc/81/06/49/710810649.db2.gz LTEOTAXHJQGATQ-CQSZACIVSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032924723 710810652 /nfs/dbraw/zinc/81/06/52/710810652.db2.gz LTEOTAXHJQGATQ-CQSZACIVSA-N 1 2 327.363 1.767 20 30 EDEDLO CN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032924723 710810655 /nfs/dbraw/zinc/81/06/55/710810655.db2.gz LTEOTAXHJQGATQ-CQSZACIVSA-N 1 2 327.363 1.767 20 30 EDEDLO N#Cc1c[nH]c(C(=O)NCc2ccc(C[NH2+]Cc3ncccn3)cc2)c1 ZINC001034815500 711194120 /nfs/dbraw/zinc/19/41/20/711194120.db2.gz NNIAZAOTQBURLL-UHFFFAOYSA-N 1 2 346.394 1.896 20 30 EDEDLO C=CCn1cccc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C)no1 ZINC001034957996 711430542 /nfs/dbraw/zinc/43/05/42/711430542.db2.gz SSYKAFQYKRWEJN-CQSZACIVSA-N 1 2 329.404 1.760 20 30 EDEDLO Cc1nn(C)cc1CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004571959 711996260 /nfs/dbraw/zinc/99/62/60/711996260.db2.gz XVUJQUBPOQMNQG-GOSISDBHSA-N 1 2 343.475 1.888 20 30 EDEDLO Cc1nn(C)cc1CCC(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004571959 711996262 /nfs/dbraw/zinc/99/62/62/711996262.db2.gz XVUJQUBPOQMNQG-GOSISDBHSA-N 1 2 343.475 1.888 20 30 EDEDLO Cn1cc(C(C)(C)C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004584866 712018258 /nfs/dbraw/zinc/01/82/58/712018258.db2.gz BKCNQAYHQLLTEN-QGZVFWFLSA-N 1 2 343.475 1.924 20 30 EDEDLO Cn1cc(C(C)(C)C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004584866 712018259 /nfs/dbraw/zinc/01/82/59/712018259.db2.gz BKCNQAYHQLLTEN-QGZVFWFLSA-N 1 2 343.475 1.924 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2noc3c2COCC3)CC1 ZINC001004615495 712075244 /nfs/dbraw/zinc/07/52/44/712075244.db2.gz GVPBGVBLSWOLER-OAHLLOKOSA-N 1 2 344.415 1.587 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2noc3c2COCC3)CC1 ZINC001004615495 712075245 /nfs/dbraw/zinc/07/52/45/712075245.db2.gz GVPBGVBLSWOLER-OAHLLOKOSA-N 1 2 344.415 1.587 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054390335 214235698 /nfs/dbraw/zinc/23/56/98/214235698.db2.gz HEFWTZYTODIUGX-UHFFFAOYSA-N 1 2 330.388 1.015 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054390335 214235700 /nfs/dbraw/zinc/23/57/00/214235700.db2.gz HEFWTZYTODIUGX-UHFFFAOYSA-N 1 2 330.388 1.015 20 30 EDEDLO C#CC[N@@H+](CN1C(=O)C(=O)N(CCC)C1=O)[C@H]1CCc2ccccc21 ZINC000054516439 214242535 /nfs/dbraw/zinc/24/25/35/214242535.db2.gz BAFODCVACAJYMF-INIZCTEOSA-N 1 2 339.395 1.767 20 30 EDEDLO C#CC[N@H+](CN1C(=O)C(=O)N(CCC)C1=O)[C@H]1CCc2ccccc21 ZINC000054516439 214242539 /nfs/dbraw/zinc/24/25/39/214242539.db2.gz BAFODCVACAJYMF-INIZCTEOSA-N 1 2 339.395 1.767 20 30 EDEDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccc(C#N)cn3)CC2)no1 ZINC000559290175 306253309 /nfs/dbraw/zinc/25/33/09/306253309.db2.gz LGEVUNFQVZFNCC-UHFFFAOYSA-N 1 2 340.431 1.952 20 30 EDEDLO CC(=O)N1CCc2cc(NC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)ccc21 ZINC000329219833 539420276 /nfs/dbraw/zinc/42/02/76/539420276.db2.gz AZKLKYSRMUKLTD-MRXNPFEDSA-N 1 2 345.447 1.167 20 30 EDEDLO CC(=O)N1CCc2cc(NC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)ccc21 ZINC000329219833 539420280 /nfs/dbraw/zinc/42/02/80/539420280.db2.gz AZKLKYSRMUKLTD-MRXNPFEDSA-N 1 2 345.447 1.167 20 30 EDEDLO C=C(C)COc1cccc(NC(=O)C(=O)NCc2c[nH+]cn2C)c1 ZINC000354661706 539945390 /nfs/dbraw/zinc/94/53/90/539945390.db2.gz BEJRXAAGSORYMV-UHFFFAOYSA-N 1 2 328.372 1.630 20 30 EDEDLO N#Cc1cccnc1N1CCC[N@@H+](CC(=O)NCC2CCC2)CC1 ZINC000066496575 138178832 /nfs/dbraw/zinc/17/88/32/138178832.db2.gz ILEBYEYPJAHLQH-UHFFFAOYSA-N 1 2 327.432 1.382 20 30 EDEDLO N#Cc1cccnc1N1CCC[N@H+](CC(=O)NCC2CCC2)CC1 ZINC000066496575 138178834 /nfs/dbraw/zinc/17/88/34/138178834.db2.gz ILEBYEYPJAHLQH-UHFFFAOYSA-N 1 2 327.432 1.382 20 30 EDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(CC(N)=O)CC2)cc1Cl ZINC000077168410 138251801 /nfs/dbraw/zinc/25/18/01/138251801.db2.gz OYTVTTGPTUJCEM-UHFFFAOYSA-N 1 2 334.807 1.738 20 30 EDEDLO C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000132161117 237228248 /nfs/dbraw/zinc/22/82/48/237228248.db2.gz MPOXZXJGHYKEPD-CQSZACIVSA-N 1 2 344.415 1.218 20 30 EDEDLO C[NH+](C)CCCNC(=O)C[C@@H]1S/C(=N/c2ccccc2)NC1=O ZINC000174892184 237293260 /nfs/dbraw/zinc/29/32/60/237293260.db2.gz LVRNONLRRPIUGF-ZDUSSCGKSA-N 1 2 334.445 1.364 20 30 EDEDLO Cc1nnc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000273634956 201260242 /nfs/dbraw/zinc/26/02/42/201260242.db2.gz SVGOYDSFHDDJRR-JTQLQIEISA-N 1 2 336.442 1.843 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cn(-c3cccc(Cl)c3)nn2)CC1 ZINC000275658358 201284479 /nfs/dbraw/zinc/28/44/79/201284479.db2.gz XGJGMNKZOSSAPX-UHFFFAOYSA-N 1 2 343.818 1.702 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000278853459 201311824 /nfs/dbraw/zinc/31/18/24/201311824.db2.gz AXLLWEXJXZRIFC-JJRVBVJISA-N 1 2 345.447 1.585 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000278853459 201311827 /nfs/dbraw/zinc/31/18/27/201311827.db2.gz AXLLWEXJXZRIFC-JJRVBVJISA-N 1 2 345.447 1.585 20 30 EDEDLO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2nccc(C(F)F)n2)cc1 ZINC000566130213 306399266 /nfs/dbraw/zinc/39/92/66/306399266.db2.gz MUELIPSTHXJZQU-LBPRGKRZSA-N 1 2 334.326 1.815 20 30 EDEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccccn3)n(C)c2=S)CC1 ZINC000151744810 204038878 /nfs/dbraw/zinc/03/88/78/204038878.db2.gz AFYHTZQWMBVTMO-UHFFFAOYSA-N 1 2 328.445 1.221 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000110920831 220080154 /nfs/dbraw/zinc/08/01/54/220080154.db2.gz UIGPJUHAHJFFGG-UHFFFAOYSA-N 1 2 347.484 1.972 20 30 EDEDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)sc1C ZINC000157568026 205216622 /nfs/dbraw/zinc/21/66/22/205216622.db2.gz DCOHYBVZRYBTOV-CYBMUJFWSA-N 1 2 335.477 1.643 20 30 EDEDLO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000342578290 296235507 /nfs/dbraw/zinc/23/55/07/296235507.db2.gz BTDZWLVXZQXKJI-UGSOOPFHSA-N 1 2 328.416 1.343 20 30 EDEDLO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000342578290 296235508 /nfs/dbraw/zinc/23/55/08/296235508.db2.gz BTDZWLVXZQXKJI-UGSOOPFHSA-N 1 2 328.416 1.343 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc(C)cc2)CC1 ZINC000264939373 249338799 /nfs/dbraw/zinc/33/87/99/249338799.db2.gz VJXWASZBGBLGQM-MDZDMXLPSA-N 1 2 339.439 1.292 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(C)cc2)CC1 ZINC000264939373 249338801 /nfs/dbraw/zinc/33/88/01/249338801.db2.gz VJXWASZBGBLGQM-MDZDMXLPSA-N 1 2 339.439 1.292 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000330762151 249899614 /nfs/dbraw/zinc/89/96/14/249899614.db2.gz NWGDGGQVZKEVDA-HUUCEWRRSA-N 1 2 334.464 1.708 20 30 EDEDLO CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000330762151 249899617 /nfs/dbraw/zinc/89/96/17/249899617.db2.gz NWGDGGQVZKEVDA-HUUCEWRRSA-N 1 2 334.464 1.708 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000336911859 249950654 /nfs/dbraw/zinc/95/06/54/249950654.db2.gz JNMNUXGUTUZGIN-LBPRGKRZSA-N 1 2 335.433 1.271 20 30 EDEDLO Cn1ccnc1C[NH+]1CCC(C(=O)N(CCC#N)CCC#N)CC1 ZINC000365404269 250186787 /nfs/dbraw/zinc/18/67/87/250186787.db2.gz QBMQZXWEUITCHU-UHFFFAOYSA-N 1 2 328.420 1.288 20 30 EDEDLO N#CC1(C(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)CCC1 ZINC000377741591 250292016 /nfs/dbraw/zinc/29/20/16/250292016.db2.gz ISYACMYVNSIJEU-UHFFFAOYSA-N 1 2 330.432 1.421 20 30 EDEDLO C[C@H](C(=O)N1CCOC[C@@H]1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000176650643 207246844 /nfs/dbraw/zinc/24/68/44/207246844.db2.gz LEQRFMJVMZJCIQ-PBHICJAKSA-N 1 2 346.406 1.087 20 30 EDEDLO C=CCCn1cc(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)nn1 ZINC000424819010 252280061 /nfs/dbraw/zinc/28/00/61/252280061.db2.gz IQXKPNYQEDPZLP-HNNXBMFYSA-N 1 2 344.419 1.485 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@]3(C#N)C[C@H]3C)c2)CC1 ZINC000450970084 254706804 /nfs/dbraw/zinc/70/68/04/254706804.db2.gz MVUNEMBIWLDYCA-KUHUBIRLSA-N 1 2 340.427 1.839 20 30 EDEDLO C=CCn1cccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000489072943 255063301 /nfs/dbraw/zinc/06/33/01/255063301.db2.gz KWUWFGDDLAXWAC-QGZVFWFLSA-N 1 2 335.473 1.612 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000489679630 255070632 /nfs/dbraw/zinc/07/06/32/255070632.db2.gz MXNZEKUATFDFOU-LBPRGKRZSA-N 1 2 334.376 1.609 20 30 EDEDLO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CCOC1 ZINC000490069078 255077273 /nfs/dbraw/zinc/07/72/73/255077273.db2.gz DQEYWHMMUXGJNI-CYBMUJFWSA-N 1 2 337.445 1.912 20 30 EDEDLO COCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CCOC1 ZINC000490069078 255077274 /nfs/dbraw/zinc/07/72/74/255077274.db2.gz DQEYWHMMUXGJNI-CYBMUJFWSA-N 1 2 337.445 1.912 20 30 EDEDLO C#CCN(CC#CC)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000490696354 255100472 /nfs/dbraw/zinc/10/04/72/255100472.db2.gz HMCMOORVFDHFBU-LJQANCHMSA-N 1 2 339.439 1.728 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2c[nH]c(C(=O)OC)c2)n1 ZINC000491669604 255138131 /nfs/dbraw/zinc/13/81/31/255138131.db2.gz XWZDLEUBSDDLFY-UHFFFAOYSA-N 1 2 330.388 1.280 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2c[nH]c(C(=O)OC)c2)n1 ZINC000491669604 255138133 /nfs/dbraw/zinc/13/81/33/255138133.db2.gz XWZDLEUBSDDLFY-UHFFFAOYSA-N 1 2 330.388 1.280 20 30 EDEDLO CC[C@@]1(O)CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000495209485 255273354 /nfs/dbraw/zinc/27/33/54/255273354.db2.gz AMMAWWDQJQPQBS-GOSISDBHSA-N 1 2 339.399 1.529 20 30 EDEDLO CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000495209485 255273355 /nfs/dbraw/zinc/27/33/55/255273355.db2.gz AMMAWWDQJQPQBS-GOSISDBHSA-N 1 2 339.399 1.529 20 30 EDEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]O[C@H]2CCNC2=O)cc1 ZINC000495463348 255286467 /nfs/dbraw/zinc/28/64/67/255286467.db2.gz IVJOZUUTNVGLCC-ZDUSSCGKSA-N 1 2 348.403 1.237 20 30 EDEDLO C[C@H](C[NH+]1CCN(c2cnccc2C#N)CC1)NC(=O)OC(C)(C)C ZINC000496369575 255388035 /nfs/dbraw/zinc/38/80/35/255388035.db2.gz WNNSTWNBODPTAQ-CQSZACIVSA-N 1 2 345.447 1.988 20 30 EDEDLO C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000270600931 140131934 /nfs/dbraw/zinc/13/19/34/140131934.db2.gz APLYSQUHSVWYOU-WMLDXEAASA-N 1 2 328.416 1.563 20 30 EDEDLO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000332229110 141143626 /nfs/dbraw/zinc/14/36/26/141143626.db2.gz CZTVPNXFIYTPMS-UHFFFAOYSA-N 1 2 327.837 1.679 20 30 EDEDLO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000332229110 141143627 /nfs/dbraw/zinc/14/36/27/141143627.db2.gz CZTVPNXFIYTPMS-UHFFFAOYSA-N 1 2 327.837 1.679 20 30 EDEDLO C[S@](=O)C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000347681497 143349018 /nfs/dbraw/zinc/34/90/18/143349018.db2.gz WYJTYLYKPLVSPU-OJLQRUNKSA-N 1 2 341.436 1.794 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000360471952 152058143 /nfs/dbraw/zinc/05/81/43/152058143.db2.gz GMWJWHMNYOPWNU-UHFFFAOYSA-N 1 2 336.386 1.447 20 30 EDEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000360471952 152058145 /nfs/dbraw/zinc/05/81/45/152058145.db2.gz GMWJWHMNYOPWNU-UHFFFAOYSA-N 1 2 336.386 1.447 20 30 EDEDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)C2 ZINC000371805218 156112766 /nfs/dbraw/zinc/11/27/66/156112766.db2.gz HTFBETWQSRIAIN-OAHLLOKOSA-N 1 2 330.413 1.498 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000408442415 158363990 /nfs/dbraw/zinc/36/39/90/158363990.db2.gz LIUWHRIZONCQMF-SWHYSGLUSA-N 1 2 349.456 1.253 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000352269419 162084456 /nfs/dbraw/zinc/08/44/56/162084456.db2.gz ORRANCVNMXVAIJ-UHFFFAOYSA-N 1 2 341.390 1.318 20 30 EDEDLO CCOC(=O)N[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115535872 287344877 /nfs/dbraw/zinc/34/48/77/287344877.db2.gz OTXRFLJNXXEJLL-GJZGRUSLSA-N 1 2 330.388 1.295 20 30 EDEDLO CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115535872 287344881 /nfs/dbraw/zinc/34/48/81/287344881.db2.gz OTXRFLJNXXEJLL-GJZGRUSLSA-N 1 2 330.388 1.295 20 30 EDEDLO CC[C@@](C)(O)C[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000123036900 287393932 /nfs/dbraw/zinc/39/39/32/287393932.db2.gz FGJJWQAFTJGKKY-MRXNPFEDSA-N 1 2 337.445 1.026 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000124632043 287399602 /nfs/dbraw/zinc/39/96/02/287399602.db2.gz BZSXVHROPZOKHU-HNNXBMFYSA-N 1 2 344.459 1.599 20 30 EDEDLO CC[C@H](C)NC(=O)CN1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000124632043 287399604 /nfs/dbraw/zinc/39/96/04/287399604.db2.gz BZSXVHROPZOKHU-HNNXBMFYSA-N 1 2 344.459 1.599 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)COc1ccccc1C#N ZINC000285785596 269894813 /nfs/dbraw/zinc/89/48/13/269894813.db2.gz LZGKIBYUDKLBKO-HOCLYGCPSA-N 1 2 329.400 1.259 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CNc1cccc(C#N)c1 ZINC000155987315 270008756 /nfs/dbraw/zinc/00/87/56/270008756.db2.gz ZSEXZFIYWSYDRX-UHFFFAOYSA-N 1 2 341.415 1.045 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)CCOc2cccc(C#N)c2)n1 ZINC000491778699 270014701 /nfs/dbraw/zinc/01/47/01/270014701.db2.gz IFAZWNMVDKMYGJ-UHFFFAOYSA-N 1 2 338.411 1.915 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)CCOc2cccc(C#N)c2)n1 ZINC000491778699 270014702 /nfs/dbraw/zinc/01/47/02/270014702.db2.gz IFAZWNMVDKMYGJ-UHFFFAOYSA-N 1 2 338.411 1.915 20 30 EDEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000289537788 266111310 /nfs/dbraw/zinc/11/13/10/266111310.db2.gz SSILGMMWRLXSLH-CYBMUJFWSA-N 1 2 335.477 1.702 20 30 EDEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(C#N)[nH]c2C)CC1 ZINC000448977165 267056326 /nfs/dbraw/zinc/05/63/26/267056326.db2.gz XLXNOJHNLGAIJD-UHFFFAOYSA-N 1 2 345.447 1.211 20 30 EDEDLO 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/nfs/dbraw/zinc/30/88/67/267308867.db2.gz HGXYQIPTYNPPMZ-MRXNPFEDSA-N 1 2 349.456 1.026 20 30 EDEDLO Cc1cc(C#N)nc(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)n1 ZINC000286756392 267313663 /nfs/dbraw/zinc/31/36/63/267313663.db2.gz SBUUZDZKMBFSPU-HOCLYGCPSA-N 1 2 343.410 1.439 20 30 EDEDLO Cc1cc(C#N)nc(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)n1 ZINC000286756392 267313667 /nfs/dbraw/zinc/31/36/67/267313667.db2.gz SBUUZDZKMBFSPU-HOCLYGCPSA-N 1 2 343.410 1.439 20 30 EDEDLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292128711 267345607 /nfs/dbraw/zinc/34/56/07/267345607.db2.gz IMKJNSVMZNMMIO-TZMCWYRMSA-N 1 2 341.371 1.730 20 30 EDEDLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)on1 ZINC000292128711 267345610 /nfs/dbraw/zinc/34/56/10/267345610.db2.gz IMKJNSVMZNMMIO-TZMCWYRMSA-N 1 2 341.371 1.730 20 30 EDEDLO Cc1cc(NC2CCN(S(=O)(=O)C3CC3)CC2)c(C#N)c(C)[nH+]1 ZINC000301772663 267346931 /nfs/dbraw/zinc/34/69/31/267346931.db2.gz JVOOSZKWGVUGCE-UHFFFAOYSA-N 1 2 334.445 1.939 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCn1cc[nH+]c1 ZINC000425871955 267723104 /nfs/dbraw/zinc/72/31/04/267723104.db2.gz YHDJIAZWXVQZFF-ZDUSSCGKSA-N 1 2 325.372 1.091 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278953555 268100119 /nfs/dbraw/zinc/10/01/19/268100119.db2.gz WAAIPJZBNZDYLV-MRXNPFEDSA-N 1 2 332.791 1.362 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278953555 268100124 /nfs/dbraw/zinc/10/01/24/268100124.db2.gz WAAIPJZBNZDYLV-MRXNPFEDSA-N 1 2 332.791 1.362 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCO[C@]4(CCCOC4)C3)C2=O)cc1 ZINC000285443921 268123432 /nfs/dbraw/zinc/12/34/32/268123432.db2.gz XTEWUOFHBDJPDF-IEBWSBKVSA-N 1 2 341.411 1.545 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCO[C@]4(CCCOC4)C3)C2=O)cc1 ZINC000285443921 268123433 /nfs/dbraw/zinc/12/34/33/268123433.db2.gz XTEWUOFHBDJPDF-IEBWSBKVSA-N 1 2 341.411 1.545 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCCC4(C3)OCCO4)C2=O)cc1 ZINC000299672403 268124424 /nfs/dbraw/zinc/12/44/24/268124424.db2.gz MHLAGHLBXNSBLU-MRXNPFEDSA-N 1 2 327.384 1.502 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCCC4(C3)OCCO4)C2=O)cc1 ZINC000299672403 268124426 /nfs/dbraw/zinc/12/44/26/268124426.db2.gz MHLAGHLBXNSBLU-MRXNPFEDSA-N 1 2 327.384 1.502 20 30 EDEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000286325624 268177679 /nfs/dbraw/zinc/17/76/79/268177679.db2.gz FRHGDESJHVZAEZ-KBPBESRZSA-N 1 2 326.343 1.654 20 30 EDEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000286325624 268177681 /nfs/dbraw/zinc/17/76/81/268177681.db2.gz FRHGDESJHVZAEZ-KBPBESRZSA-N 1 2 326.343 1.654 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(CCCO)CC2)nc1 ZINC000289886208 268186974 /nfs/dbraw/zinc/18/69/74/268186974.db2.gz MIHTXBGNGQNJEU-UHFFFAOYSA-N 1 2 337.445 1.211 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000531384575 268200965 /nfs/dbraw/zinc/20/09/65/268200965.db2.gz PHFMEMIIQKPFIN-OAHLLOKOSA-N 1 2 337.470 1.557 20 30 EDEDLO 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/nfs/dbraw/zinc/18/12/71/279181271.db2.gz HFBHUQNMXLWQTD-ZIAGYGMSSA-N 1 2 331.420 1.345 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000272659999 279181272 /nfs/dbraw/zinc/18/12/72/279181272.db2.gz HFBHUQNMXLWQTD-ZIAGYGMSSA-N 1 2 331.420 1.345 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332150360 289342469 /nfs/dbraw/zinc/34/24/69/289342469.db2.gz IJADMGJPUMAECE-CHWSQXEVSA-N 1 2 347.419 1.686 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000332150360 289342470 /nfs/dbraw/zinc/34/24/70/289342470.db2.gz IJADMGJPUMAECE-CHWSQXEVSA-N 1 2 347.419 1.686 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000332150360 289342471 /nfs/dbraw/zinc/34/24/71/289342471.db2.gz IJADMGJPUMAECE-CHWSQXEVSA-N 1 2 347.419 1.686 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000332150360 289342472 /nfs/dbraw/zinc/34/24/72/289342472.db2.gz IJADMGJPUMAECE-CHWSQXEVSA-N 1 2 347.419 1.686 20 30 EDEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1COCCN1CC(F)(F)F ZINC000329379695 295385829 /nfs/dbraw/zinc/38/58/29/295385829.db2.gz NCWPXAJQLPGQPZ-GHMZBOCLSA-N 1 2 332.326 1.418 20 30 EDEDLO COc1cc[nH]c(=O)c1C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000329018646 295424511 /nfs/dbraw/zinc/42/45/11/295424511.db2.gz ROHIXADYGREXHW-NSHDSACASA-N 1 2 348.403 1.061 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000333367988 298136267 /nfs/dbraw/zinc/13/62/67/298136267.db2.gz YUZPZKGOVKTICJ-HZPDHXFCSA-N 1 2 349.475 1.987 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000333367988 298136269 /nfs/dbraw/zinc/13/62/69/298136269.db2.gz YUZPZKGOVKTICJ-HZPDHXFCSA-N 1 2 349.475 1.987 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414593408 447315179 /nfs/dbraw/zinc/31/51/79/447315179.db2.gz WBSAPLYUNXGVCY-KRWDZBQOSA-N 1 2 341.455 1.920 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414593408 447315189 /nfs/dbraw/zinc/31/51/89/447315189.db2.gz WBSAPLYUNXGVCY-KRWDZBQOSA-N 1 2 341.455 1.920 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000448789775 447348262 /nfs/dbraw/zinc/34/82/62/447348262.db2.gz DORLMQLNKCTLNJ-MSOLQXFVSA-N 1 2 329.444 1.964 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000556816484 306218398 /nfs/dbraw/zinc/21/83/98/306218398.db2.gz QRPZJRKLGRJGCP-DLBZAZTESA-N 1 2 327.428 1.889 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000556816484 306218399 /nfs/dbraw/zinc/21/83/99/306218399.db2.gz QRPZJRKLGRJGCP-DLBZAZTESA-N 1 2 327.428 1.889 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000426180797 447397114 /nfs/dbraw/zinc/39/71/14/447397114.db2.gz RZMFCJBPPJCAJC-GJZGRUSLSA-N 1 2 329.400 1.748 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000426180797 447397122 /nfs/dbraw/zinc/39/71/22/447397122.db2.gz RZMFCJBPPJCAJC-GJZGRUSLSA-N 1 2 329.400 1.748 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450216251 447435482 /nfs/dbraw/zinc/43/54/82/447435482.db2.gz MWYNXCHVRPOERT-UHFFFAOYSA-N 1 2 347.434 1.708 20 30 EDEDLO C#CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000104092828 441189456 /nfs/dbraw/zinc/18/94/56/441189456.db2.gz OFVROISVJBEVPH-HNNXBMFYSA-N 1 2 345.424 1.009 20 30 EDEDLO C#CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000104092828 441189460 /nfs/dbraw/zinc/18/94/60/441189460.db2.gz OFVROISVJBEVPH-HNNXBMFYSA-N 1 2 345.424 1.009 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)CNc2ccc(C#N)cc2)no1 ZINC000101654339 441160529 /nfs/dbraw/zinc/16/05/29/441160529.db2.gz AKOFGYXUOBIODD-UHFFFAOYSA-N 1 2 342.403 1.466 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cn2ccccc2c1C#N ZINC000081158204 441237250 /nfs/dbraw/zinc/23/72/50/441237250.db2.gz RWGXIAHLKUVCOS-UHFFFAOYSA-N 1 2 337.427 1.859 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)c1c(F)cccc1F ZINC000081158107 441237274 /nfs/dbraw/zinc/23/72/74/441237274.db2.gz RQNBATHNTQBWPR-MRXNPFEDSA-N 1 2 339.386 1.546 20 30 EDEDLO C[C@H](Oc1ccc(F)cc1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000060794210 441258386 /nfs/dbraw/zinc/25/83/86/441258386.db2.gz HDJPVKPEXXUDRV-HNNXBMFYSA-N 1 2 349.406 1.667 20 30 EDEDLO CC(C)C[NH+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000081512371 441279090 /nfs/dbraw/zinc/27/90/90/441279090.db2.gz WHFJISPCBCGOQE-UHFFFAOYSA-N 1 2 335.473 1.606 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000073643806 441338075 /nfs/dbraw/zinc/33/80/75/441338075.db2.gz OFQPSBKFZIDZQL-CQSZACIVSA-N 1 2 348.422 1.917 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000073643806 441338078 /nfs/dbraw/zinc/33/80/78/441338078.db2.gz OFQPSBKFZIDZQL-CQSZACIVSA-N 1 2 348.422 1.917 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccc(Cl)s2)CC1 ZINC000081645512 441298991 /nfs/dbraw/zinc/29/89/91/441298991.db2.gz LXWOFVMDGXFCDK-UHFFFAOYSA-N 1 2 325.865 1.611 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccc(Cl)s2)CC1 ZINC000081645512 441298995 /nfs/dbraw/zinc/29/89/95/441298995.db2.gz LXWOFVMDGXFCDK-UHFFFAOYSA-N 1 2 325.865 1.611 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000064432522 441378073 /nfs/dbraw/zinc/37/80/73/441378073.db2.gz IZYCMXIBAFOLNS-UHFFFAOYSA-N 1 2 337.401 1.233 20 30 EDEDLO COC(=O)Cc1nc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)n[nH]1 ZINC000073765416 441351771 /nfs/dbraw/zinc/35/17/71/441351771.db2.gz SLBQNOYJVUWIAQ-UHFFFAOYSA-N 1 2 340.343 1.651 20 30 EDEDLO N#CCc1cccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000049657097 441361587 /nfs/dbraw/zinc/36/15/87/441361587.db2.gz HFYOPDIZTWONPD-UHFFFAOYSA-N 1 2 336.395 1.914 20 30 EDEDLO CNC(=O)c1ccc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000029929453 441478554 /nfs/dbraw/zinc/47/85/54/441478554.db2.gz XWFTXZOZSPCGDY-UHFFFAOYSA-N 1 2 336.395 1.988 20 30 EDEDLO CNC(=O)c1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000029929453 441478557 /nfs/dbraw/zinc/47/85/57/441478557.db2.gz XWFTXZOZSPCGDY-UHFFFAOYSA-N 1 2 336.395 1.988 20 30 EDEDLO Cc1cc(NC(=O)C[N@@H+]2CCCN(c3ncccc3C#N)CC2)no1 ZINC000066437799 441532249 /nfs/dbraw/zinc/53/22/49/441532249.db2.gz GGIZKKRFYNHYOF-UHFFFAOYSA-N 1 2 340.387 1.401 20 30 EDEDLO Cc1cc(NC(=O)C[N@H+]2CCCN(c3ncccc3C#N)CC2)no1 ZINC000066437799 441532254 /nfs/dbraw/zinc/53/22/54/441532254.db2.gz GGIZKKRFYNHYOF-UHFFFAOYSA-N 1 2 340.387 1.401 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])cnc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000075676772 441547813 /nfs/dbraw/zinc/54/78/13/441547813.db2.gz OUYVKQQNUCPUJO-OAHLLOKOSA-N 1 2 349.416 1.481 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000053229053 441505650 /nfs/dbraw/zinc/50/56/50/441505650.db2.gz NBSOMJCBPDLZPI-MRXNPFEDSA-N 1 2 349.406 1.819 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000053229053 441505653 /nfs/dbraw/zinc/50/56/53/441505653.db2.gz NBSOMJCBPDLZPI-MRXNPFEDSA-N 1 2 349.406 1.819 20 30 EDEDLO C=C(C)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000038262169 441614909 /nfs/dbraw/zinc/61/49/09/441614909.db2.gz WRIILNDCMPGCIQ-UHFFFAOYSA-N 1 2 325.390 1.477 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000121565349 441733376 /nfs/dbraw/zinc/73/33/76/441733376.db2.gz QMAIGHXHNKDRQX-OAHLLOKOSA-N 1 2 335.429 1.223 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000121565349 441733381 /nfs/dbraw/zinc/73/33/81/441733381.db2.gz QMAIGHXHNKDRQX-OAHLLOKOSA-N 1 2 335.429 1.223 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000042331483 441725266 /nfs/dbraw/zinc/72/52/66/441725266.db2.gz IRPRJDKHHMEGMQ-HOTGVXAUSA-N 1 2 337.464 1.123 20 30 EDEDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000138690643 441797265 /nfs/dbraw/zinc/79/72/65/441797265.db2.gz ZKMUTXJVHWAVRF-NWDGAFQWSA-N 1 2 349.456 1.519 20 30 EDEDLO C[C@H]1CO[C@@H](CO)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000138690643 441797270 /nfs/dbraw/zinc/79/72/70/441797270.db2.gz ZKMUTXJVHWAVRF-NWDGAFQWSA-N 1 2 349.456 1.519 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000068686986 441839689 /nfs/dbraw/zinc/83/96/89/441839689.db2.gz VTZIAIYCEGHJIU-UHFFFAOYSA-N 1 2 334.379 1.629 20 30 EDEDLO COc1cc(C(N)=[NH+]OCC(=O)N(C)C2CC2)cc(Cl)c1OC ZINC000148949886 441920072 /nfs/dbraw/zinc/92/00/72/441920072.db2.gz IIEFKMNUSJYLRV-UHFFFAOYSA-N 1 2 341.795 1.615 20 30 EDEDLO N#Cc1cccnc1N1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000078368171 441924967 /nfs/dbraw/zinc/92/49/67/441924967.db2.gz RGEZPQRRVCCBBB-UHFFFAOYSA-N 1 2 339.403 1.072 20 30 EDEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000118392031 441894764 /nfs/dbraw/zinc/89/47/64/441894764.db2.gz FYZJZJMTUFAIJJ-MRXNPFEDSA-N 1 2 342.443 1.096 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc(CC)o2)CC1 ZINC000124741154 441948219 /nfs/dbraw/zinc/94/82/19/441948219.db2.gz MOPPNSLHBMELPC-CMDGGOBGSA-N 1 2 343.427 1.139 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(CC)o2)CC1 ZINC000124741154 441948223 /nfs/dbraw/zinc/94/82/23/441948223.db2.gz MOPPNSLHBMELPC-CMDGGOBGSA-N 1 2 343.427 1.139 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000127075393 442167903 /nfs/dbraw/zinc/16/79/03/442167903.db2.gz SWBXOEHRLSCMKW-UHFFFAOYSA-N 1 2 336.439 1.303 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000121165133 442185753 /nfs/dbraw/zinc/18/57/53/442185753.db2.gz OKGBJZVBNJTXPG-GJZGRUSLSA-N 1 2 334.807 1.165 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]21 ZINC000121165133 442185755 /nfs/dbraw/zinc/18/57/55/442185755.db2.gz OKGBJZVBNJTXPG-GJZGRUSLSA-N 1 2 334.807 1.165 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC(=O)NC1CC1 ZINC000127023104 442163506 /nfs/dbraw/zinc/16/35/06/442163506.db2.gz HHLQIXALZZKYOZ-ZDUSSCGKSA-N 1 2 335.473 1.862 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC(=O)NC1CC1 ZINC000127023104 442163509 /nfs/dbraw/zinc/16/35/09/442163509.db2.gz HHLQIXALZZKYOZ-ZDUSSCGKSA-N 1 2 335.473 1.862 20 30 EDEDLO C=CC[N@@H+](C)CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000121409627 442213816 /nfs/dbraw/zinc/21/38/16/442213816.db2.gz NJMSCILQWXYHNU-GOSISDBHSA-N 1 2 344.415 1.079 20 30 EDEDLO C=CC[N@H+](C)CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000121409627 442213819 /nfs/dbraw/zinc/21/38/19/442213819.db2.gz NJMSCILQWXYHNU-GOSISDBHSA-N 1 2 344.415 1.079 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000170935460 442292105 /nfs/dbraw/zinc/29/21/05/442292105.db2.gz CZPNRTKMUOHSIQ-UHFFFAOYSA-N 1 2 334.395 1.607 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)NCc2ccc(C#N)cc2F)CCO1 ZINC000170935460 442292109 /nfs/dbraw/zinc/29/21/09/442292109.db2.gz CZPNRTKMUOHSIQ-UHFFFAOYSA-N 1 2 334.395 1.607 20 30 EDEDLO CCOCCCNC(=O)[C@@H](C)O[NH+]=C(N)Cc1csc(C)n1 ZINC000178145317 442410962 /nfs/dbraw/zinc/41/09/62/442410962.db2.gz XKECHQLKNZDDSM-SNVBAGLBSA-N 1 2 328.438 1.214 20 30 EDEDLO N#CC1(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CCOCC1 ZINC000178243499 442417955 /nfs/dbraw/zinc/41/79/55/442417955.db2.gz VWOAMVOFQIRONE-UHFFFAOYSA-N 1 2 331.391 1.790 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H](C)[N@H+]1C ZINC000135261291 442572975 /nfs/dbraw/zinc/57/29/75/442572975.db2.gz BYIICMHCUSGWGR-PHIMTYICSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H](C)[N@@H+]1C ZINC000135261291 442572981 /nfs/dbraw/zinc/57/29/81/442572981.db2.gz BYIICMHCUSGWGR-PHIMTYICSA-N 1 2 327.837 1.925 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000192137751 442600817 /nfs/dbraw/zinc/60/08/17/442600817.db2.gz YXKAEWPTBFTRBT-GOSISDBHSA-N 1 2 337.427 1.762 20 30 EDEDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)ncn1 ZINC000192188713 442610611 /nfs/dbraw/zinc/61/06/11/442610611.db2.gz MZGCEQAXYJFEAM-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO C#CC[N@@H+](C)[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000192219181 442615510 /nfs/dbraw/zinc/61/55/10/442615510.db2.gz AIONLUFHDFYESW-SECBINFHSA-N 1 2 327.306 1.112 20 30 EDEDLO C#CC[N@H+](C)[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000192219181 442615517 /nfs/dbraw/zinc/61/55/17/442615517.db2.gz AIONLUFHDFYESW-SECBINFHSA-N 1 2 327.306 1.112 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)cc1Cl ZINC000189096226 442877476 /nfs/dbraw/zinc/87/74/76/442877476.db2.gz HOICBBMUIPZMNJ-UHFFFAOYSA-N 1 2 343.836 1.212 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)cc1Cl ZINC000189096226 442877481 /nfs/dbraw/zinc/87/74/81/442877481.db2.gz HOICBBMUIPZMNJ-UHFFFAOYSA-N 1 2 343.836 1.212 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(CCOC)CC1 ZINC000194620151 442925573 /nfs/dbraw/zinc/92/55/73/442925573.db2.gz BBESBSXBVYKLFL-SFHVURJKSA-N 1 2 334.460 1.419 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccc(O)cc1 ZINC000183520093 442937067 /nfs/dbraw/zinc/93/70/67/442937067.db2.gz QEGKNNALYKRNOO-QPJJXVBHSA-N 1 2 329.400 1.480 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@]12CCOC2 ZINC000249556560 442987169 /nfs/dbraw/zinc/98/71/69/442987169.db2.gz MABHUWKSEHRDSB-PKOBYXMFSA-N 1 2 333.428 1.646 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@]12CCOC2 ZINC000249556560 442987172 /nfs/dbraw/zinc/98/71/72/442987172.db2.gz MABHUWKSEHRDSB-PKOBYXMFSA-N 1 2 333.428 1.646 20 30 EDEDLO COc1coc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1=O ZINC000268520597 443019189 /nfs/dbraw/zinc/01/91/89/443019189.db2.gz BOKXGLQVZXZXEG-UHFFFAOYSA-N 1 2 326.356 1.237 20 30 EDEDLO C[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[NH+]1CCN(C)CC1 ZINC000184970869 443108628 /nfs/dbraw/zinc/10/86/28/443108628.db2.gz QTXMBHSFJCDWQS-OAHLLOKOSA-N 1 2 326.444 1.685 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1n[nH]c2c1CCCCC2 ZINC000190485607 443117736 /nfs/dbraw/zinc/11/77/36/443117736.db2.gz MLPRXZLEONDBOT-UHFFFAOYSA-N 1 2 345.447 1.367 20 30 EDEDLO CN(C)c1noc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000185257077 443171204 /nfs/dbraw/zinc/17/12/04/443171204.db2.gz WTKMPQNTCUQNPZ-UHFFFAOYSA-N 1 2 326.404 1.720 20 30 EDEDLO CN(C)c1noc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000185257077 443171206 /nfs/dbraw/zinc/17/12/06/443171206.db2.gz WTKMPQNTCUQNPZ-UHFFFAOYSA-N 1 2 326.404 1.720 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000185701355 443240951 /nfs/dbraw/zinc/24/09/51/443240951.db2.gz HHEHOYFSWNUENG-ZBFHGGJFSA-N 1 2 335.423 1.389 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)CC1 ZINC000282726975 443417795 /nfs/dbraw/zinc/41/77/95/443417795.db2.gz IALSLLCTAGZBNB-UHFFFAOYSA-N 1 2 340.387 1.628 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000272841721 443463891 /nfs/dbraw/zinc/46/38/91/443463891.db2.gz NCAYGEASELXTHK-UHFFFAOYSA-N 1 2 336.417 1.043 20 30 EDEDLO COc1ccc(OC)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000265358410 443615371 /nfs/dbraw/zinc/61/53/71/443615371.db2.gz XDACRNVDOLLJRA-UHFFFAOYSA-N 1 2 347.415 1.392 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)CC1 ZINC000283549970 443658896 /nfs/dbraw/zinc/65/88/96/443658896.db2.gz PVVZJZQHTRZHJB-UHFFFAOYSA-N 1 2 326.360 1.146 20 30 EDEDLO CCc1nnc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(C#N)c1CC ZINC000286312484 443688638 /nfs/dbraw/zinc/68/86/38/443688638.db2.gz KHEBPQCOOLYRSY-ZIAGYGMSSA-N 1 2 329.448 1.772 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000286721219 443722174 /nfs/dbraw/zinc/72/21/74/443722174.db2.gz DPOMXFJBKXSLJT-LSDHHAIUSA-N 1 2 336.436 1.607 20 30 EDEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)NCCCCC#N)CC1 ZINC000286843250 443727766 /nfs/dbraw/zinc/72/77/66/443727766.db2.gz ZQPNNGDUFZEYLF-AWEZNQCLSA-N 1 2 348.472 1.763 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000283847341 443741126 /nfs/dbraw/zinc/74/11/26/443741126.db2.gz BBRYARBTZGLLIT-UHFFFAOYSA-N 1 2 330.432 1.723 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298548138 443796140 /nfs/dbraw/zinc/79/61/40/443796140.db2.gz FAUZTDOXPBQEHG-CABCVRRESA-N 1 2 328.478 1.332 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298548138 443796142 /nfs/dbraw/zinc/79/61/42/443796142.db2.gz FAUZTDOXPBQEHG-CABCVRRESA-N 1 2 328.478 1.332 20 30 EDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCn1cnc(C#N)n1 ZINC000287905158 443759861 /nfs/dbraw/zinc/75/98/61/443759861.db2.gz PRRBKUMBMPSWLH-ZDUSSCGKSA-N 1 2 342.407 1.303 20 30 EDEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000298467651 443775571 /nfs/dbraw/zinc/77/55/71/443775571.db2.gz ILZILTIMHPEDJF-HNNXBMFYSA-N 1 2 327.428 1.234 20 30 EDEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000298467651 443775576 /nfs/dbraw/zinc/77/55/76/443775576.db2.gz ILZILTIMHPEDJF-HNNXBMFYSA-N 1 2 327.428 1.234 20 30 EDEDLO COC(=O)c1cccc(OCC(N)=[NH+]OCc2cc(C)ncn2)c1 ZINC000292083760 443776064 /nfs/dbraw/zinc/77/60/64/443776064.db2.gz MYEAZXBKCWHHMZ-UHFFFAOYSA-N 1 2 330.344 1.439 20 30 EDEDLO C[C@@H]1C[N@H+](CC#Cc2ccccc2)CCN1c1nccn2cnnc12 ZINC000277041388 443892497 /nfs/dbraw/zinc/89/24/97/443892497.db2.gz TYWZKRCRUCUMRV-MRXNPFEDSA-N 1 2 332.411 1.687 20 30 EDEDLO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCN1c1nccn2cnnc12 ZINC000277041388 443892501 /nfs/dbraw/zinc/89/25/01/443892501.db2.gz TYWZKRCRUCUMRV-MRXNPFEDSA-N 1 2 332.411 1.687 20 30 EDEDLO COCCOCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000288585659 443926528 /nfs/dbraw/zinc/92/65/28/443926528.db2.gz CRCYPYXDOZOEIX-UHFFFAOYSA-N 1 2 325.796 1.745 20 30 EDEDLO COCCOCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000288585659 443926529 /nfs/dbraw/zinc/92/65/29/443926529.db2.gz CRCYPYXDOZOEIX-UHFFFAOYSA-N 1 2 325.796 1.745 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000293265721 443967665 /nfs/dbraw/zinc/96/76/65/443967665.db2.gz HDODLWGDBWQJMA-LBPRGKRZSA-N 1 2 341.408 1.039 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000293265721 443967668 /nfs/dbraw/zinc/96/76/68/443967668.db2.gz HDODLWGDBWQJMA-LBPRGKRZSA-N 1 2 341.408 1.039 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000281677069 443976685 /nfs/dbraw/zinc/97/66/85/443976685.db2.gz ZGYOAHLVASHQQZ-WTTBNOFXSA-N 1 2 348.447 1.921 20 30 EDEDLO Cn1nccc1[C@H]1[C@H]([NH2+]C[C@@H](C#N)CCC#N)CC(=O)N1C1CC1 ZINC000285355365 443954057 /nfs/dbraw/zinc/95/40/57/443954057.db2.gz XGRSTMIOWJCWIY-SUYBPPKGSA-N 1 2 326.404 1.258 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(C)c(OC)c(C)c2)CC1 ZINC000299312230 444013862 /nfs/dbraw/zinc/01/38/62/444013862.db2.gz CRVXVLTUKWWFLR-UHFFFAOYSA-N 1 2 336.457 1.642 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCO[C@]4(CCSC4)C3)C2=O)cc1 ZINC000563069210 321092699 /nfs/dbraw/zinc/09/26/99/321092699.db2.gz UUZCSMBOSGGMSA-FUHWJXTLSA-N 1 2 343.452 1.871 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCO[C@]4(CCSC4)C3)C2=O)cc1 ZINC000563069210 321092700 /nfs/dbraw/zinc/09/27/00/321092700.db2.gz UUZCSMBOSGGMSA-FUHWJXTLSA-N 1 2 343.452 1.871 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000299597747 444090829 /nfs/dbraw/zinc/09/08/29/444090829.db2.gz DZQSEOCTWGMBCD-CHWSQXEVSA-N 1 2 349.435 1.773 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000299597747 444090832 /nfs/dbraw/zinc/09/08/32/444090832.db2.gz DZQSEOCTWGMBCD-CHWSQXEVSA-N 1 2 349.435 1.773 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1cccc(OCC#N)c1 ZINC000285739509 444091891 /nfs/dbraw/zinc/09/18/91/444091891.db2.gz JIAYLQHZHCCPEE-RDJZCZTQSA-N 1 2 343.427 1.453 20 30 EDEDLO N#Cc1ccc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c([N+](=O)[O-])c1 ZINC000570805924 321358571 /nfs/dbraw/zinc/35/85/71/321358571.db2.gz RNSZHWYALBSTPZ-LBPRGKRZSA-N 1 2 347.293 1.574 20 30 EDEDLO N#Cc1ccc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)c([N+](=O)[O-])c1 ZINC000570805924 321358572 /nfs/dbraw/zinc/35/85/72/321358572.db2.gz RNSZHWYALBSTPZ-LBPRGKRZSA-N 1 2 347.293 1.574 20 30 EDEDLO C#CCCOc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000295154300 444167259 /nfs/dbraw/zinc/16/72/59/444167259.db2.gz AMNSINQQSHSRRM-MSOLQXFVSA-N 1 2 328.412 1.634 20 30 EDEDLO C#CCCOc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000295154300 444167261 /nfs/dbraw/zinc/16/72/61/444167261.db2.gz AMNSINQQSHSRRM-MSOLQXFVSA-N 1 2 328.412 1.634 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@H+]2CCOC[C@H](O)C2)c2ccccc21 ZINC000295478957 444185859 /nfs/dbraw/zinc/18/58/59/444185859.db2.gz GLVIYTVOEYTIJX-CQSZACIVSA-N 1 2 327.384 1.431 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCOC[C@H](O)C2)c2ccccc21 ZINC000295478957 444185861 /nfs/dbraw/zinc/18/58/61/444185861.db2.gz GLVIYTVOEYTIJX-CQSZACIVSA-N 1 2 327.384 1.431 20 30 EDEDLO COc1nccnc1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000296627582 444244199 /nfs/dbraw/zinc/24/41/99/444244199.db2.gz BNIZLHLQEZNRBW-HNNXBMFYSA-N 1 2 337.383 1.248 20 30 EDEDLO Cc1cc(=O)c(C(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cn1C1CC1 ZINC000328774144 444348111 /nfs/dbraw/zinc/34/81/11/444348111.db2.gz KFAGBISNBAOGQG-AWEZNQCLSA-N 1 2 332.448 1.432 20 30 EDEDLO Cc1cc(=O)c(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cn1C1CC1 ZINC000328794352 444355448 /nfs/dbraw/zinc/35/54/48/444355448.db2.gz SKUBTHPQBGJMHA-KGLIPLIRSA-N 1 2 333.432 1.905 20 30 EDEDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000578396048 321767969 /nfs/dbraw/zinc/76/79/69/321767969.db2.gz QNQQWPJDQKHYHF-AWEZNQCLSA-N 1 2 329.448 1.769 20 30 EDEDLO CCN1CCN(C(=O)NCC2(OC)CCC2)C[C@H]1c1[nH+]ccn1C ZINC000328640201 444408856 /nfs/dbraw/zinc/40/88/56/444408856.db2.gz XICCADDKLYYQEL-AWEZNQCLSA-N 1 2 335.452 1.582 20 30 EDEDLO Cn1c2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2n(C)c1=O ZINC000328933250 444409966 /nfs/dbraw/zinc/40/99/66/444409966.db2.gz DUPLDENZDQBKQG-LLVKDONJSA-N 1 2 325.372 1.924 20 30 EDEDLO CCN1CCN(C(=O)NCC[C@@H]2CCCO2)C[C@@H]1c1[nH+]ccn1C ZINC000328642235 444410158 /nfs/dbraw/zinc/41/01/58/444410158.db2.gz YHZZFRKRUKPNKJ-LSDHHAIUSA-N 1 2 335.452 1.582 20 30 EDEDLO CC[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)O1 ZINC000328951114 444419870 /nfs/dbraw/zinc/41/98/70/444419870.db2.gz XCJSPEQWKZJOMI-HZPDHXFCSA-N 1 2 337.464 1.845 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCc3ccn(C4CCCC4)n3)C[C@H]21 ZINC000328859047 444377484 /nfs/dbraw/zinc/37/74/84/444377484.db2.gz DRHNGMBJHYBZGP-IAGOWNOFSA-N 1 2 347.463 1.817 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NCc3ccn(C4CCCC4)n3)C[C@H]21 ZINC000328859047 444377489 /nfs/dbraw/zinc/37/74/89/444377489.db2.gz DRHNGMBJHYBZGP-IAGOWNOFSA-N 1 2 347.463 1.817 20 30 EDEDLO CSc1c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cnn1C ZINC000331078395 444385165 /nfs/dbraw/zinc/38/51/65/444385165.db2.gz MSKRNMUANQHCNQ-ZDUSSCGKSA-N 1 2 326.466 1.803 20 30 EDEDLO Cc1noc(C)c1C[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328883288 444387105 /nfs/dbraw/zinc/38/71/05/444387105.db2.gz NFUSVXWVRLATSE-XZJROXQQSA-N 1 2 336.436 1.541 20 30 EDEDLO Cc1noc(C)c1C[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328883288 444387108 /nfs/dbraw/zinc/38/71/08/444387108.db2.gz NFUSVXWVRLATSE-XZJROXQQSA-N 1 2 336.436 1.541 20 30 EDEDLO Cn1cc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)nn1 ZINC000328891844 444390057 /nfs/dbraw/zinc/39/00/57/444390057.db2.gz SSBVRNXHJJYBGB-UHFFFAOYSA-N 1 2 332.383 1.945 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000298039393 444394870 /nfs/dbraw/zinc/39/48/70/444394870.db2.gz GNZKVDLCKZHFPE-CQSZACIVSA-N 1 2 347.434 1.926 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000298039393 444394873 /nfs/dbraw/zinc/39/48/73/444394873.db2.gz GNZKVDLCKZHFPE-CQSZACIVSA-N 1 2 347.434 1.926 20 30 EDEDLO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)NC(=O)C1CCCC1 ZINC000328903899 444396211 /nfs/dbraw/zinc/39/62/11/444396211.db2.gz INZKSEALDKGMCA-BMFZPTHFSA-N 1 2 337.464 1.843 20 30 EDEDLO C[C@H](CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)NC(=O)C1CCCC1 ZINC000328903899 444396213 /nfs/dbraw/zinc/39/62/13/444396213.db2.gz INZKSEALDKGMCA-BMFZPTHFSA-N 1 2 337.464 1.843 20 30 EDEDLO CCn1cnnc1[C@H]1CN(C(=O)Nc2ccc(C)[nH+]c2C)CCO1 ZINC000328619917 444396738 /nfs/dbraw/zinc/39/67/38/444396738.db2.gz GKORVCWFFVHQFL-CQSZACIVSA-N 1 2 330.392 1.929 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000328916672 444401798 /nfs/dbraw/zinc/40/17/98/444401798.db2.gz AOTPQPSSOFJTJK-CABCVRRESA-N 1 2 327.469 1.758 20 30 EDEDLO C[C@H](C1CC1)n1cc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cn1 ZINC000329019713 444447069 /nfs/dbraw/zinc/44/70/69/444447069.db2.gz HKOCCZISIGPRLQ-WQVCFCJDSA-N 1 2 333.436 1.805 20 30 EDEDLO C[C@H](C1CC1)n1cc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cn1 ZINC000329019713 444447070 /nfs/dbraw/zinc/44/70/70/444447070.db2.gz HKOCCZISIGPRLQ-WQVCFCJDSA-N 1 2 333.436 1.805 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@@H+]1CCOC ZINC000331221815 444449004 /nfs/dbraw/zinc/44/90/04/444449004.db2.gz KFIMBFXXPLRONX-GFCCVEGCSA-N 1 2 343.474 1.351 20 30 EDEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[N@H+]1CCOC ZINC000331221815 444449006 /nfs/dbraw/zinc/44/90/06/444449006.db2.gz KFIMBFXXPLRONX-GFCCVEGCSA-N 1 2 343.474 1.351 20 30 EDEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ncc(CC)s2)CC1 ZINC000331264821 444459846 /nfs/dbraw/zinc/45/98/46/444459846.db2.gz BAWAGVAOJSXKME-LLVKDONJSA-N 1 2 339.465 1.266 20 30 EDEDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000329106658 444473443 /nfs/dbraw/zinc/47/34/43/444473443.db2.gz DNUWMFPNBVSAMD-IIDMSEBBSA-N 1 2 346.431 1.502 20 30 EDEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1cnccn1 ZINC000340696840 444482588 /nfs/dbraw/zinc/48/25/88/444482588.db2.gz XKRIZNKLWBVCJB-ZDUSSCGKSA-N 1 2 346.460 1.734 20 30 EDEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1cnccn1 ZINC000340696840 444482591 /nfs/dbraw/zinc/48/25/91/444482591.db2.gz XKRIZNKLWBVCJB-ZDUSSCGKSA-N 1 2 346.460 1.734 20 30 EDEDLO C[NH+]1CCN(C(=O)CSc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000340713400 444486307 /nfs/dbraw/zinc/48/63/07/444486307.db2.gz NGHVJPJKYLUQAD-UHFFFAOYSA-N 1 2 344.362 1.838 20 30 EDEDLO C[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000580714845 322086687 /nfs/dbraw/zinc/08/66/87/322086687.db2.gz KLRIFRAOARISRT-KRWDZBQOSA-N 1 2 346.394 1.838 20 30 EDEDLO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000580714845 322086689 /nfs/dbraw/zinc/08/66/89/322086689.db2.gz KLRIFRAOARISRT-KRWDZBQOSA-N 1 2 346.394 1.838 20 30 EDEDLO N#Cc1ccccc1OCC[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000580993247 322120808 /nfs/dbraw/zinc/12/08/08/322120808.db2.gz BMBAWYTZGDRHTQ-QGZVFWFLSA-N 1 2 334.441 1.838 20 30 EDEDLO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000580993247 322120811 /nfs/dbraw/zinc/12/08/11/322120811.db2.gz BMBAWYTZGDRHTQ-QGZVFWFLSA-N 1 2 334.441 1.838 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2Cc3cccc(O)c3C2)CC1 ZINC000332180719 444503643 /nfs/dbraw/zinc/50/36/43/444503643.db2.gz OPHGJYIYJBFKMM-AWEZNQCLSA-N 1 2 328.416 1.489 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000329261171 444515363 /nfs/dbraw/zinc/51/53/63/444515363.db2.gz ZCIIKGUGTXHTPV-HZPDHXFCSA-N 1 2 344.463 1.239 20 30 EDEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000340816318 444522261 /nfs/dbraw/zinc/52/22/61/444522261.db2.gz HOGIIRLZTSWDAW-OAHLLOKOSA-N 1 2 344.459 1.453 20 30 EDEDLO C[C@H](CNC(=O)[C@H]1CCCN1C(=O)C1CCCC1)[NH+]1CCOCC1 ZINC000329321489 444534533 /nfs/dbraw/zinc/53/45/33/444534533.db2.gz RNEFWGOFKPPDGG-GDBMZVCRSA-N 1 2 337.464 1.845 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)CCO1 ZINC000329401577 444564229 /nfs/dbraw/zinc/56/42/29/444564229.db2.gz BLRNUKHINNLXMS-GWCFXTLKSA-N 1 2 342.359 1.622 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)NCCc2cccc(C#N)c2)CCO1 ZINC000342228454 444576261 /nfs/dbraw/zinc/57/62/61/444576261.db2.gz YQTARPMXJNYFHR-KRWDZBQOSA-N 1 2 330.432 1.511 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)NCCc2cccc(C#N)c2)CCO1 ZINC000342228454 444576262 /nfs/dbraw/zinc/57/62/62/444576262.db2.gz YQTARPMXJNYFHR-KRWDZBQOSA-N 1 2 330.432 1.511 20 30 EDEDLO CN(C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1)[C@@H]1CCC[C@H]1O ZINC000329343664 444542536 /nfs/dbraw/zinc/54/25/36/444542536.db2.gz QFJWWAOTPIOLRC-KFWWJZLASA-N 1 2 336.436 1.647 20 30 EDEDLO CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000340856943 444546060 /nfs/dbraw/zinc/54/60/60/444546060.db2.gz ROAUOFGQVSKGOH-INIZCTEOSA-N 1 2 349.456 1.074 20 30 EDEDLO CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000340856943 444546064 /nfs/dbraw/zinc/54/60/64/444546064.db2.gz ROAUOFGQVSKGOH-INIZCTEOSA-N 1 2 349.456 1.074 20 30 EDEDLO CCn1cc[nH+]c1[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)C1CCOCC1 ZINC000332898035 444590610 /nfs/dbraw/zinc/59/06/10/444590610.db2.gz VWLWRBZBWYNEFY-GJZGRUSLSA-N 1 2 347.419 1.305 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1C#N ZINC000329468083 444592070 /nfs/dbraw/zinc/59/20/70/444592070.db2.gz XCPVSFGLLSAWCO-GXFFZTMASA-N 1 2 332.429 1.547 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1C#N ZINC000329468083 444592075 /nfs/dbraw/zinc/59/20/75/444592075.db2.gz XCPVSFGLLSAWCO-GXFFZTMASA-N 1 2 332.429 1.547 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)C[C@@H]21 ZINC000329691501 444680639 /nfs/dbraw/zinc/68/06/39/444680639.db2.gz DLMJFPWQJWJUQJ-JKSUJKDBSA-N 1 2 327.388 1.637 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)C[C@@H]21 ZINC000329691501 444680644 /nfs/dbraw/zinc/68/06/44/444680644.db2.gz DLMJFPWQJWJUQJ-JKSUJKDBSA-N 1 2 327.388 1.637 20 30 EDEDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)NCC1(O)CCC1 ZINC000329826426 444730376 /nfs/dbraw/zinc/73/03/76/444730376.db2.gz ILXNJARIELNGJZ-INIZCTEOSA-N 1 2 333.432 1.479 20 30 EDEDLO CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329734339 444697174 /nfs/dbraw/zinc/69/71/74/444697174.db2.gz RJNSKFKELZPXRS-KBRIMQKVSA-N 1 2 337.464 1.843 20 30 EDEDLO Cc1nnc([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH]1 ZINC000334027073 444751567 /nfs/dbraw/zinc/75/15/67/444751567.db2.gz HVDNLUDNRBSOKB-TZMCWYRMSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1nnc([C@@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH]1 ZINC000334027073 444751570 /nfs/dbraw/zinc/75/15/70/444751570.db2.gz HVDNLUDNRBSOKB-TZMCWYRMSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000334027073 444751574 /nfs/dbraw/zinc/75/15/74/444751574.db2.gz HVDNLUDNRBSOKB-TZMCWYRMSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1n[nH]c([C@@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000334027073 444751577 /nfs/dbraw/zinc/75/15/77/444751577.db2.gz HVDNLUDNRBSOKB-TZMCWYRMSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1nc([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n[nH]1 ZINC000334027073 444751579 /nfs/dbraw/zinc/75/15/79/444751579.db2.gz HVDNLUDNRBSOKB-TZMCWYRMSA-N 1 2 330.436 1.634 20 30 EDEDLO Cc1nc([C@@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n[nH]1 ZINC000334027073 444751583 /nfs/dbraw/zinc/75/15/83/444751583.db2.gz HVDNLUDNRBSOKB-TZMCWYRMSA-N 1 2 330.436 1.634 20 30 EDEDLO CCN1CCN([C@H](C)C(=O)NC(=O)NC2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329904199 444761185 /nfs/dbraw/zinc/76/11/85/444761185.db2.gz IWVSUAYWOWYCKJ-YPMHNXCESA-N 1 2 334.424 1.510 20 30 EDEDLO CC(=O)N1CCC[C@H](CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000329973319 444795039 /nfs/dbraw/zinc/79/50/39/444795039.db2.gz WVFFAKFINGMPBN-HUUCEWRRSA-N 1 2 333.436 1.523 20 30 EDEDLO C[C@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)C1CCOCC1 ZINC000329989639 444801844 /nfs/dbraw/zinc/80/18/44/444801844.db2.gz IFXBBYVQBAFEBI-AWEZNQCLSA-N 1 2 335.452 1.267 20 30 EDEDLO COCCC1(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CCCCC1 ZINC000330075466 444835012 /nfs/dbraw/zinc/83/50/12/444835012.db2.gz DFTPTJLFCIBDFL-HOTGVXAUSA-N 1 2 339.480 1.902 20 30 EDEDLO COCCC1(CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCCCC1 ZINC000330075466 444835016 /nfs/dbraw/zinc/83/50/16/444835016.db2.gz DFTPTJLFCIBDFL-HOTGVXAUSA-N 1 2 339.480 1.902 20 30 EDEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330136959 444857962 /nfs/dbraw/zinc/85/79/62/444857962.db2.gz UPDPUUKFEUWEIA-AIANPOQGSA-N 1 2 326.437 1.780 20 30 EDEDLO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330136959 444857965 /nfs/dbraw/zinc/85/79/65/444857965.db2.gz UPDPUUKFEUWEIA-AIANPOQGSA-N 1 2 326.437 1.780 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000336931064 444859697 /nfs/dbraw/zinc/85/96/97/444859697.db2.gz BLTYJIIIYXMEBI-CYBMUJFWSA-N 1 2 347.444 1.893 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000336945831 444868182 /nfs/dbraw/zinc/86/81/82/444868182.db2.gz NTXZTSJXNVAIQX-GFCCVEGCSA-N 1 2 333.417 1.503 20 30 EDEDLO COc1cc(OC)cc(C(=O)N2CC[NH+](CCOCCC#N)CC2)c1 ZINC000338879506 444909540 /nfs/dbraw/zinc/90/95/40/444909540.db2.gz FDCGWZBDMCRAQI-UHFFFAOYSA-N 1 2 347.415 1.392 20 30 EDEDLO C=CCOCC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000338889195 444915029 /nfs/dbraw/zinc/91/50/29/444915029.db2.gz DILMLOWBOPXZOL-INIZCTEOSA-N 1 2 339.457 1.887 20 30 EDEDLO C=CCOCC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000338889195 444915033 /nfs/dbraw/zinc/91/50/33/444915033.db2.gz DILMLOWBOPXZOL-INIZCTEOSA-N 1 2 339.457 1.887 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)CN2CCCCCC2=O)CCO1 ZINC000330341747 444944344 /nfs/dbraw/zinc/94/43/44/444944344.db2.gz ZREGSUVEBJZMQH-HIFRSBDPSA-N 1 2 334.420 1.999 20 30 EDEDLO COc1ccc(C)cc1NC(=O)[C@H](C)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330358131 444951036 /nfs/dbraw/zinc/95/10/36/444951036.db2.gz UKVVDAQBKWYHIV-JLJPHGGASA-N 1 2 333.432 1.995 20 30 EDEDLO COc1ccc(C)cc1NC(=O)[C@H](C)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330358131 444951037 /nfs/dbraw/zinc/95/10/37/444951037.db2.gz UKVVDAQBKWYHIV-JLJPHGGASA-N 1 2 333.432 1.995 20 30 EDEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000330358131 444951040 /nfs/dbraw/zinc/95/10/40/444951040.db2.gz UKVVDAQBKWYHIV-JLJPHGGASA-N 1 2 333.432 1.995 20 30 EDEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000330358131 444951043 /nfs/dbraw/zinc/95/10/43/444951043.db2.gz UKVVDAQBKWYHIV-JLJPHGGASA-N 1 2 333.432 1.995 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)CS(C)(=O)=O)CCC2 ZINC000330396121 444964989 /nfs/dbraw/zinc/96/49/89/444964989.db2.gz KEMWCXRITWAXNP-NEPJUHHUSA-N 1 2 328.438 1.006 20 30 EDEDLO CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000330415263 444972355 /nfs/dbraw/zinc/97/23/55/444972355.db2.gz NNKNDAONNLMAGW-KBPBESRZSA-N 1 2 347.463 1.857 20 30 EDEDLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000339002851 444980561 /nfs/dbraw/zinc/98/05/61/444980561.db2.gz LUWVFOKVWKWPET-QGZVFWFLSA-N 1 2 345.443 1.837 20 30 EDEDLO CN(C)S(=O)(=O)CCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000330550651 445030164 /nfs/dbraw/zinc/03/01/64/445030164.db2.gz XECJFYPKOTXACT-INIZCTEOSA-N 1 2 337.445 1.213 20 30 EDEDLO CN(C)S(=O)(=O)CCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000330550651 445030169 /nfs/dbraw/zinc/03/01/69/445030169.db2.gz XECJFYPKOTXACT-INIZCTEOSA-N 1 2 337.445 1.213 20 30 EDEDLO Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000330469963 444995231 /nfs/dbraw/zinc/99/52/31/444995231.db2.gz ZUSLIJUZCCWBNO-LLVKDONJSA-N 1 2 347.337 1.407 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)C1=O ZINC000337269774 445010181 /nfs/dbraw/zinc/01/01/81/445010181.db2.gz MDFQMKUBTLXJEI-CYBMUJFWSA-N 1 2 347.463 1.375 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)C1=O ZINC000337269774 445010185 /nfs/dbraw/zinc/01/01/85/445010185.db2.gz MDFQMKUBTLXJEI-CYBMUJFWSA-N 1 2 347.463 1.375 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337276815 445013005 /nfs/dbraw/zinc/01/30/05/445013005.db2.gz REWUXOIKWHWBOZ-SKDRFNHKSA-N 1 2 343.786 1.502 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000344583636 445073526 /nfs/dbraw/zinc/07/35/26/445073526.db2.gz LXXVBSHTNAANAA-UHFFFAOYSA-N 1 2 331.397 1.658 20 30 EDEDLO CN(C1CC[NH+](Cc2cccc(C#N)c2F)CC1)S(C)(=O)=O ZINC000330643839 445076342 /nfs/dbraw/zinc/07/63/42/445076342.db2.gz JVYPZLZPWRJYBM-UHFFFAOYSA-N 1 2 325.409 1.553 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000330702724 445104120 /nfs/dbraw/zinc/10/41/20/445104120.db2.gz KDDUCMPNQPDRFJ-RDTXWAMCSA-N 1 2 347.438 1.786 20 30 EDEDLO COCC1(C#N)CC[NH+](Cc2cc(=O)n3c(C)csc3n2)CC1 ZINC000341989578 445110251 /nfs/dbraw/zinc/11/02/51/445110251.db2.gz LYZSCBCHZWSNJA-UHFFFAOYSA-N 1 2 332.429 1.817 20 30 EDEDLO N#Cc1ccc(NCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000345257489 445176159 /nfs/dbraw/zinc/17/61/59/445176159.db2.gz REOYENCAFQHGCP-UHFFFAOYSA-N 1 2 346.394 1.926 20 30 EDEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000330975154 445204610 /nfs/dbraw/zinc/20/46/10/445204610.db2.gz JRXPGYCFNDGNNU-HOTGVXAUSA-N 1 2 336.480 1.884 20 30 EDEDLO CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000330929689 445196268 /nfs/dbraw/zinc/19/62/68/445196268.db2.gz NSANWCBQFBHFNS-ZIAGYGMSSA-N 1 2 339.436 1.480 20 30 EDEDLO CCNC(=O)NC(=O)C[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000330929689 445196270 /nfs/dbraw/zinc/19/62/70/445196270.db2.gz NSANWCBQFBHFNS-ZIAGYGMSSA-N 1 2 339.436 1.480 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000330957804 445201476 /nfs/dbraw/zinc/20/14/76/445201476.db2.gz VWLJWRHGVZLPIG-GXFFZTMASA-N 1 2 349.822 1.746 20 30 EDEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000330957804 445201479 /nfs/dbraw/zinc/20/14/79/445201479.db2.gz VWLJWRHGVZLPIG-GXFFZTMASA-N 1 2 349.822 1.746 20 30 EDEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347053925 445230387 /nfs/dbraw/zinc/23/03/87/445230387.db2.gz LIKMTZOGPJPNOG-ZLOXQWCVSA-N 1 2 333.457 1.979 20 30 EDEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347053925 445230388 /nfs/dbraw/zinc/23/03/88/445230388.db2.gz LIKMTZOGPJPNOG-ZLOXQWCVSA-N 1 2 333.457 1.979 20 30 EDEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)o1 ZINC000348408664 445280486 /nfs/dbraw/zinc/28/04/86/445280486.db2.gz MRUXDFRLTFVWQA-GJZGRUSLSA-N 1 2 333.436 1.326 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000352551441 445537062 /nfs/dbraw/zinc/53/70/62/445537062.db2.gz XVUUJPBUDOXLFF-KDOFPFPSSA-N 1 2 329.448 1.952 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000352551441 445537066 /nfs/dbraw/zinc/53/70/66/445537066.db2.gz XVUUJPBUDOXLFF-KDOFPFPSSA-N 1 2 329.448 1.952 20 30 EDEDLO C=C(C)C[N@@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccc(CO)o1 ZINC000352807719 445557328 /nfs/dbraw/zinc/55/73/28/445557328.db2.gz XKPZWBKLBCKVOP-HUUCEWRRSA-N 1 2 336.432 1.786 20 30 EDEDLO C=C(C)C[N@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1ccc(CO)o1 ZINC000352807719 445557330 /nfs/dbraw/zinc/55/73/30/445557330.db2.gz XKPZWBKLBCKVOP-HUUCEWRRSA-N 1 2 336.432 1.786 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000362895133 445600866 /nfs/dbraw/zinc/60/08/66/445600866.db2.gz JCFBFZGISKEBIY-CQSZACIVSA-N 1 2 337.445 1.528 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000362895133 445600869 /nfs/dbraw/zinc/60/08/69/445600869.db2.gz JCFBFZGISKEBIY-CQSZACIVSA-N 1 2 337.445 1.528 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000360158766 445601466 /nfs/dbraw/zinc/60/14/66/445601466.db2.gz NXEQZOPONLQKOL-CQSZACIVSA-N 1 2 331.420 1.900 20 30 EDEDLO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)no1 ZINC000360158766 445601471 /nfs/dbraw/zinc/60/14/71/445601471.db2.gz NXEQZOPONLQKOL-CQSZACIVSA-N 1 2 331.420 1.900 20 30 EDEDLO C=CC[NH+]1CCC(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000358224212 445612381 /nfs/dbraw/zinc/61/23/81/445612381.db2.gz KMOGBHBAQOBJQM-UHFFFAOYSA-N 1 2 332.429 1.761 20 30 EDEDLO C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000360310650 445689607 /nfs/dbraw/zinc/68/96/07/445689607.db2.gz MCIYSLGKEJUMGC-CRAIPNDOSA-N 1 2 327.428 1.985 20 30 EDEDLO CN(C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C)C(=O)c1c[nH]c(C#N)c1 ZINC000358681592 445713887 /nfs/dbraw/zinc/71/38/87/445713887.db2.gz ONKUJAYKLQGTAS-UKRRQHHQSA-N 1 2 344.394 1.304 20 30 EDEDLO CCOC(C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)OCC ZINC000363833820 445878633 /nfs/dbraw/zinc/87/86/33/445878633.db2.gz LFOOAZDCGNPCMM-FZKQIMNGSA-N 1 2 329.400 1.731 20 30 EDEDLO CCOC(C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)OCC ZINC000363833820 445878638 /nfs/dbraw/zinc/87/86/38/445878638.db2.gz LFOOAZDCGNPCMM-FZKQIMNGSA-N 1 2 329.400 1.731 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000369112675 445936200 /nfs/dbraw/zinc/93/62/00/445936200.db2.gz MSDAZIBNJAYXCI-LLVKDONJSA-N 1 2 325.438 1.042 20 30 EDEDLO N#Cc1cc2c(nc1N1CC[NH+]([C@H]3CCCCNC3=O)CC1)CCC2 ZINC000364057906 445893112 /nfs/dbraw/zinc/89/31/12/445893112.db2.gz UETZWFRKZNMIEF-KRWDZBQOSA-N 1 2 339.443 1.233 20 30 EDEDLO C[C@@H]1CN(C(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)C[C@H](C)O1 ZINC000369205327 445993162 /nfs/dbraw/zinc/99/31/62/445993162.db2.gz JEGLZJCKKUVXDB-IYBDPMFKSA-N 1 2 342.443 1.575 20 30 EDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000350901288 445945818 /nfs/dbraw/zinc/94/58/18/445945818.db2.gz ZDYKKSJSZDKTBN-WDEREUQCSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000350901288 445945823 /nfs/dbraw/zinc/94/58/23/445945823.db2.gz ZDYKKSJSZDKTBN-WDEREUQCSA-N 1 2 327.837 1.925 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C1CC1 ZINC000356783497 446016268 /nfs/dbraw/zinc/01/62/68/446016268.db2.gz RNFFIVWNIFCVBD-AWEZNQCLSA-N 1 2 341.346 1.637 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000354218972 446012770 /nfs/dbraw/zinc/01/27/70/446012770.db2.gz CDZUGKBGBMYLQI-LBPRGKRZSA-N 1 2 341.346 1.765 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000369301998 446057662 /nfs/dbraw/zinc/05/76/62/446057662.db2.gz GTFUAMFOLCCLSA-JTDSTZFVSA-N 1 2 349.475 1.940 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C[C@@H](C)O2 ZINC000369301998 446057671 /nfs/dbraw/zinc/05/76/71/446057671.db2.gz GTFUAMFOLCCLSA-JTDSTZFVSA-N 1 2 349.475 1.940 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000584002865 326181911 /nfs/dbraw/zinc/18/19/11/326181911.db2.gz NQWNRJJNLQQCNO-MSOLQXFVSA-N 1 2 343.427 1.569 20 30 EDEDLO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2CCOc2ccccc2C#N)n1 ZINC000369305830 446060813 /nfs/dbraw/zinc/06/08/13/446060813.db2.gz MUYJWWGQJMYOEK-UONOGXRCSA-N 1 2 328.372 1.690 20 30 EDEDLO CCc1noc([C@H]2C[C@H](O)C[N@H+]2CCOc2ccccc2C#N)n1 ZINC000369305830 446060818 /nfs/dbraw/zinc/06/08/18/446060818.db2.gz MUYJWWGQJMYOEK-UONOGXRCSA-N 1 2 328.372 1.690 20 30 EDEDLO C#CC[C@H](C)NC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000369637424 446138419 /nfs/dbraw/zinc/13/84/19/446138419.db2.gz IXYSKBOJWQTEPX-DZGCQCFKSA-N 1 2 333.436 1.786 20 30 EDEDLO C#CC[C@H](C)NC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000369637424 446138422 /nfs/dbraw/zinc/13/84/22/446138422.db2.gz IXYSKBOJWQTEPX-DZGCQCFKSA-N 1 2 333.436 1.786 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369386540 446114021 /nfs/dbraw/zinc/11/40/21/446114021.db2.gz SRSCZDJEXBDIGU-HNNXBMFYSA-N 1 2 346.431 1.436 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000369386540 446114024 /nfs/dbraw/zinc/11/40/24/446114024.db2.gz SRSCZDJEXBDIGU-HNNXBMFYSA-N 1 2 346.431 1.436 20 30 EDEDLO CN(C(=O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1)C1(C#N)CCCCC1 ZINC000369868967 446162560 /nfs/dbraw/zinc/16/25/60/446162560.db2.gz WIROKVLEXXHNOK-LJQANCHMSA-N 1 2 349.475 1.941 20 30 EDEDLO CN(C(=O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1)C1(C#N)CCCCC1 ZINC000369868967 446162565 /nfs/dbraw/zinc/16/25/65/446162565.db2.gz WIROKVLEXXHNOK-LJQANCHMSA-N 1 2 349.475 1.941 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000370610846 446356918 /nfs/dbraw/zinc/35/69/18/446356918.db2.gz QXGNXGQOSASRAD-YOEHRIQHSA-N 1 2 328.416 1.292 20 30 EDEDLO CN(C)c1nc(N)nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000374307286 446362043 /nfs/dbraw/zinc/36/20/43/446362043.db2.gz GYCZSGLEBXVAMT-UHFFFAOYSA-N 1 2 335.415 1.681 20 30 EDEDLO CN(C)c1nc(N)nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000374307286 446362048 /nfs/dbraw/zinc/36/20/48/446362048.db2.gz GYCZSGLEBXVAMT-UHFFFAOYSA-N 1 2 335.415 1.681 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)o1 ZINC000376361694 446454449 /nfs/dbraw/zinc/45/44/49/446454449.db2.gz ZHPAOUBXPRKONG-KBPBESRZSA-N 1 2 339.417 1.073 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370906310 446512258 /nfs/dbraw/zinc/51/22/58/446512258.db2.gz VEKNILNEPZPXKM-CRAIPNDOSA-N 1 2 334.464 1.518 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370906310 446512263 /nfs/dbraw/zinc/51/22/63/446512263.db2.gz VEKNILNEPZPXKM-CRAIPNDOSA-N 1 2 334.464 1.518 20 30 EDEDLO C[N@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)CC(C)(C)C#N ZINC000433307315 446554180 /nfs/dbraw/zinc/55/41/80/446554180.db2.gz UMCDBZZGKCQORP-UHFFFAOYSA-N 1 2 325.416 1.970 20 30 EDEDLO C[N@@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)CC(C)(C)C#N ZINC000433307315 446554182 /nfs/dbraw/zinc/55/41/82/446554182.db2.gz UMCDBZZGKCQORP-UHFFFAOYSA-N 1 2 325.416 1.970 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000435018392 446671508 /nfs/dbraw/zinc/67/15/08/446671508.db2.gz WWDVILIXZOPFAN-HNNXBMFYSA-N 1 2 326.444 1.342 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@](O)(C(F)F)C2)C1=O ZINC000411787341 446675581 /nfs/dbraw/zinc/67/55/81/446675581.db2.gz DUIINYGSGSDXHD-HZMBPMFUSA-N 1 2 327.356 1.427 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@](O)(C(F)F)C2)C1=O ZINC000411787341 446675586 /nfs/dbraw/zinc/67/55/86/446675586.db2.gz DUIINYGSGSDXHD-HZMBPMFUSA-N 1 2 327.356 1.427 20 30 EDEDLO COCCN(C)c1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c[nH+]1 ZINC000435336448 446689416 /nfs/dbraw/zinc/68/94/16/446689416.db2.gz OMKDGUPEDFRDFU-XFXZXTDPSA-N 1 2 339.399 1.988 20 30 EDEDLO CCNc1nc(NC(C)(C)C)nc(NCc2ccc(C#N)s2)[nH+]1 ZINC000420610313 446701637 /nfs/dbraw/zinc/70/16/37/446701637.db2.gz MUTVMUKJDFEIEO-UHFFFAOYSA-N 1 2 331.449 1.903 20 30 EDEDLO CCNc1nc(NCc2ccc(C#N)s2)nc(NC(C)(C)C)[nH+]1 ZINC000420610313 446701642 /nfs/dbraw/zinc/70/16/42/446701642.db2.gz MUTVMUKJDFEIEO-UHFFFAOYSA-N 1 2 331.449 1.903 20 30 EDEDLO CCNc1nc(NCc2ccc(C#N)s2)[nH+]c(NC(C)(C)C)n1 ZINC000420610313 446701646 /nfs/dbraw/zinc/70/16/46/446701646.db2.gz MUTVMUKJDFEIEO-UHFFFAOYSA-N 1 2 331.449 1.903 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375319390 446718413 /nfs/dbraw/zinc/71/84/13/446718413.db2.gz NWRVBYXWPAFMFD-ZDUSSCGKSA-N 1 2 330.779 1.689 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375319390 446718418 /nfs/dbraw/zinc/71/84/18/446718418.db2.gz NWRVBYXWPAFMFD-ZDUSSCGKSA-N 1 2 330.779 1.689 20 30 EDEDLO N#CCCn1cc(C[N@@H+]2CCO[C@H](CO)C2)c(-c2ccncc2)n1 ZINC000435125591 446680178 /nfs/dbraw/zinc/68/01/78/446680178.db2.gz XUWULIIDUQYJLD-INIZCTEOSA-N 1 2 327.388 1.052 20 30 EDEDLO N#CCCn1cc(C[N@H+]2CCO[C@H](CO)C2)c(-c2ccncc2)n1 ZINC000435125591 446680185 /nfs/dbraw/zinc/68/01/85/446680185.db2.gz XUWULIIDUQYJLD-INIZCTEOSA-N 1 2 327.388 1.052 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000368483037 446889673 /nfs/dbraw/zinc/88/96/73/446889673.db2.gz QAUFOMRTHNKMPS-JKSUJKDBSA-N 1 2 325.453 1.891 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000420982111 446956345 /nfs/dbraw/zinc/95/63/45/446956345.db2.gz GTRYYRGATUJAQS-OAHLLOKOSA-N 1 2 338.411 1.948 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000420982111 446956349 /nfs/dbraw/zinc/95/63/49/446956349.db2.gz GTRYYRGATUJAQS-OAHLLOKOSA-N 1 2 338.411 1.948 20 30 EDEDLO COc1cc(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)ccc1C#N ZINC000442806293 446974689 /nfs/dbraw/zinc/97/46/89/446974689.db2.gz BAHBJTRZIIZKDY-AWEZNQCLSA-N 1 2 342.443 1.352 20 30 EDEDLO COc1cc(C[NH+]2CCN([C@@H](C)C(=O)NC3CC3)CC2)ccc1C#N ZINC000442806293 446974696 /nfs/dbraw/zinc/97/46/96/446974696.db2.gz BAHBJTRZIIZKDY-AWEZNQCLSA-N 1 2 342.443 1.352 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000368692023 447041351 /nfs/dbraw/zinc/04/13/51/447041351.db2.gz LEJXBJOGISMVKF-UHFFFAOYSA-N 1 2 329.400 1.554 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000368692023 447041356 /nfs/dbraw/zinc/04/13/56/447041356.db2.gz LEJXBJOGISMVKF-UHFFFAOYSA-N 1 2 329.400 1.554 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000368750445 447083723 /nfs/dbraw/zinc/08/37/23/447083723.db2.gz CJKIRYIDYWCZLV-WLLUSJSYSA-N 1 2 333.432 1.601 20 30 EDEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000368750445 447083726 /nfs/dbraw/zinc/08/37/26/447083726.db2.gz CJKIRYIDYWCZLV-WLLUSJSYSA-N 1 2 333.432 1.601 20 30 EDEDLO C=CCn1cc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)nn1 ZINC000425264720 447087830 /nfs/dbraw/zinc/08/78/30/447087830.db2.gz QOOSENQRRYCJNU-QWHCGFSZSA-N 1 2 329.408 1.073 20 30 EDEDLO C=CCn1cc(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)nn1 ZINC000425264720 447087833 /nfs/dbraw/zinc/08/78/33/447087833.db2.gz QOOSENQRRYCJNU-QWHCGFSZSA-N 1 2 329.408 1.073 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cnc(C#N)cn3)CC2)no1 ZINC000372574234 447153157 /nfs/dbraw/zinc/15/31/57/447153157.db2.gz OARWCJGVNLJJQA-AWEZNQCLSA-N 1 2 327.392 1.531 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cnc(C#N)cn3)CC2)no1 ZINC000372574234 447153159 /nfs/dbraw/zinc/15/31/59/447153159.db2.gz OARWCJGVNLJJQA-AWEZNQCLSA-N 1 2 327.392 1.531 20 30 EDEDLO N#Cc1csc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1 ZINC000447689895 447288809 /nfs/dbraw/zinc/28/88/09/447288809.db2.gz UVXJMMALFOPWEO-UHFFFAOYSA-N 1 2 340.408 1.715 20 30 EDEDLO N#Cc1csc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1 ZINC000447689895 447288814 /nfs/dbraw/zinc/28/88/14/447288814.db2.gz UVXJMMALFOPWEO-UHFFFAOYSA-N 1 2 340.408 1.715 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388075309 447475971 /nfs/dbraw/zinc/47/59/71/447475971.db2.gz GEENSLZZJRAZBP-TXEJJXNPSA-N 1 2 334.173 1.025 20 30 EDEDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000456899759 447481274 /nfs/dbraw/zinc/48/12/74/447481274.db2.gz MSRPOEZGLNTNGF-UHFFFAOYSA-N 1 2 349.866 1.753 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000388075309 447475961 /nfs/dbraw/zinc/47/59/61/447475961.db2.gz GEENSLZZJRAZBP-TXEJJXNPSA-N 1 2 334.173 1.025 20 30 EDEDLO C=CCC[C@H](CO)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000457644358 447607817 /nfs/dbraw/zinc/60/78/17/447607817.db2.gz DSZFPFICVZCUEB-OAHLLOKOSA-N 1 2 334.420 1.045 20 30 EDEDLO CC(C)(CC#N)CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000457681192 447617813 /nfs/dbraw/zinc/61/78/13/447617813.db2.gz VTUGIBIXGKQTHV-UHFFFAOYSA-N 1 2 331.420 1.657 20 30 EDEDLO COCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1c(C)nn(C)c1C ZINC000459558693 447705552 /nfs/dbraw/zinc/70/55/52/447705552.db2.gz AUCXAASRVDQOQS-SFHVURJKSA-N 1 2 349.479 1.540 20 30 EDEDLO COCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1c(C)nn(C)c1C ZINC000459558693 447705557 /nfs/dbraw/zinc/70/55/57/447705557.db2.gz AUCXAASRVDQOQS-SFHVURJKSA-N 1 2 349.479 1.540 20 30 EDEDLO CC[NH+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc(C#N)cn2)[C@H](C)C1 ZINC000459468240 447676961 /nfs/dbraw/zinc/67/69/61/447676961.db2.gz SKKKBZOPKQPLHK-ZIAGYGMSSA-N 1 2 336.461 1.141 20 30 EDEDLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459467564 447676976 /nfs/dbraw/zinc/67/69/76/447676976.db2.gz QEGSXRGRTUMWBJ-WFASDCNBSA-N 1 2 348.834 1.985 20 30 EDEDLO CN(CC(C)(C)C#N)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000457948033 447682516 /nfs/dbraw/zinc/68/25/16/447682516.db2.gz OAHYADSHZKPVSC-INIZCTEOSA-N 1 2 340.493 1.385 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451264397 447718494 /nfs/dbraw/zinc/71/84/94/447718494.db2.gz MYTPQLRUHJPAIB-AYBZRNKSSA-N 1 2 347.434 1.795 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451264397 447718504 /nfs/dbraw/zinc/71/85/04/447718504.db2.gz MYTPQLRUHJPAIB-AYBZRNKSSA-N 1 2 347.434 1.795 20 30 EDEDLO CC(C)([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1nnc2n1CCCC2 ZINC000451403380 447728285 /nfs/dbraw/zinc/72/82/85/447728285.db2.gz LMRQSXCQDQCYKE-UHFFFAOYSA-N 1 2 338.415 1.949 20 30 EDEDLO CC(C)OC(=O)[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(C)C ZINC000451612225 447742259 /nfs/dbraw/zinc/74/22/59/447742259.db2.gz WEFSUCGAJLEXCP-RDJZCZTQSA-N 1 2 334.416 1.864 20 30 EDEDLO COC(=O)CN1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000429687013 447755470 /nfs/dbraw/zinc/75/54/70/447755470.db2.gz QKGGDKIYHPHTMC-UHFFFAOYSA-N 1 2 340.345 1.848 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c(C#N)c1C ZINC000451863427 447766388 /nfs/dbraw/zinc/76/63/88/447766388.db2.gz QNFKJDILMKMBCQ-OLZOCXBDSA-N 1 2 330.388 1.402 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)c(C#N)c1C ZINC000451863427 447766392 /nfs/dbraw/zinc/76/63/92/447766392.db2.gz QNFKJDILMKMBCQ-OLZOCXBDSA-N 1 2 330.388 1.402 20 30 EDEDLO COCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCO[C@H]1C ZINC000489514045 447861669 /nfs/dbraw/zinc/86/16/69/447861669.db2.gz PZEWHHIHULTHBI-ZFWWWQNUSA-N 1 2 335.404 1.832 20 30 EDEDLO COCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCO[C@H]1C ZINC000489514045 447861674 /nfs/dbraw/zinc/86/16/74/447861674.db2.gz PZEWHHIHULTHBI-ZFWWWQNUSA-N 1 2 335.404 1.832 20 30 EDEDLO Cc1nn(C)c(N2CCN(Cc3[nH+]ccn3C(C)C)CC2)c1C#N ZINC000530413900 447880325 /nfs/dbraw/zinc/88/03/25/447880325.db2.gz HBCRVGRJWRTMTD-UHFFFAOYSA-N 1 2 327.436 1.700 20 30 EDEDLO Cc1[nH+]ccc(NS(=O)(=O)c2ccc(C#N)o2)c1Br ZINC000569764713 447883693 /nfs/dbraw/zinc/88/36/93/447883693.db2.gz YRLDCMNLOUZZQC-UHFFFAOYSA-N 1 2 342.174 1.840 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CCCOCC)CC1 ZINC000491200651 447951966 /nfs/dbraw/zinc/95/19/66/447951966.db2.gz BTFRKWKNMYUFKH-UHFFFAOYSA-N 1 2 333.480 1.658 20 30 EDEDLO C=C(C)CONC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497171372 447919990 /nfs/dbraw/zinc/91/99/90/447919990.db2.gz HSNZMPKKZFADGZ-ZDUSSCGKSA-N 1 2 342.440 1.344 20 30 EDEDLO C=C(C)CONC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497171372 447919993 /nfs/dbraw/zinc/91/99/93/447919993.db2.gz HSNZMPKKZFADGZ-ZDUSSCGKSA-N 1 2 342.440 1.344 20 30 EDEDLO C#CC[N@@H+](C[C@H](O)c1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000491117944 447928095 /nfs/dbraw/zinc/92/80/95/447928095.db2.gz ASHDIHUARSIKFZ-APWZRJJASA-N 1 2 343.448 1.996 20 30 EDEDLO C#CC[N@H+](C[C@H](O)c1cccc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000491117944 447928100 /nfs/dbraw/zinc/92/81/00/447928100.db2.gz ASHDIHUARSIKFZ-APWZRJJASA-N 1 2 343.448 1.996 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)C1CC1 ZINC000491349094 448000772 /nfs/dbraw/zinc/00/07/72/448000772.db2.gz GWVDLDCTSJGVCX-UHFFFAOYSA-N 1 2 326.440 1.949 20 30 EDEDLO C#CC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)C1CC1 ZINC000491349094 448000778 /nfs/dbraw/zinc/00/07/78/448000778.db2.gz GWVDLDCTSJGVCX-UHFFFAOYSA-N 1 2 326.440 1.949 20 30 EDEDLO C#C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)C(C)(C)C ZINC000491351881 448002192 /nfs/dbraw/zinc/00/21/92/448002192.db2.gz WFNXBNHJTZDEES-LSDHHAIUSA-N 1 2 332.448 1.647 20 30 EDEDLO C#C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)C(C)(C)C ZINC000491351881 448002201 /nfs/dbraw/zinc/00/22/01/448002201.db2.gz WFNXBNHJTZDEES-LSDHHAIUSA-N 1 2 332.448 1.647 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000570260333 447970340 /nfs/dbraw/zinc/97/03/40/447970340.db2.gz AITUSBKGKULXAI-FUHWJXTLSA-N 1 2 331.416 1.818 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000491497657 448046396 /nfs/dbraw/zinc/04/63/96/448046396.db2.gz ZDAAGRGOSUBKJW-CYBMUJFWSA-N 1 2 337.826 1.907 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)C(=O)NC1(C#N)CCC1 ZINC000526053500 448087545 /nfs/dbraw/zinc/08/75/45/448087545.db2.gz JVMSQMZVFOJZJD-UONOGXRCSA-N 1 2 338.415 1.869 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000526055886 448088328 /nfs/dbraw/zinc/08/83/28/448088328.db2.gz BXLXALBLRWNVQJ-VXGBXAGGSA-N 1 2 333.354 1.981 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000526055886 448088333 /nfs/dbraw/zinc/08/83/33/448088333.db2.gz BXLXALBLRWNVQJ-VXGBXAGGSA-N 1 2 333.354 1.981 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)C(C)C ZINC000491723731 448091063 /nfs/dbraw/zinc/09/10/63/448091063.db2.gz DDHVUTIDAKYQFH-QGZVFWFLSA-N 1 2 339.443 1.819 20 30 EDEDLO C#CCN(C(=O)C(=O)NCc1[nH+]ccn1CC(C)C)C1CCCC1 ZINC000491741067 448096242 /nfs/dbraw/zinc/09/62/42/448096242.db2.gz PGFPESZMVDKYSG-UHFFFAOYSA-N 1 2 330.432 1.560 20 30 EDEDLO CC(C)(C#N)CCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000555873232 448096751 /nfs/dbraw/zinc/09/67/51/448096751.db2.gz GFHGHBWHAIONGX-UHFFFAOYSA-N 1 2 328.416 1.882 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2ccc(F)cn2)n1 ZINC000491753791 448106439 /nfs/dbraw/zinc/10/64/39/448106439.db2.gz PTGOEWZAKOXVIW-KRWDZBQOSA-N 1 2 332.379 1.232 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2ccc(F)cn2)n1 ZINC000491753791 448106443 /nfs/dbraw/zinc/10/64/43/448106443.db2.gz PTGOEWZAKOXVIW-KRWDZBQOSA-N 1 2 332.379 1.232 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000491787921 448123461 /nfs/dbraw/zinc/12/34/61/448123461.db2.gz YGXMQBAAKJPIHV-CXAGYDPISA-N 1 2 341.411 1.811 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000491787921 448123463 /nfs/dbraw/zinc/12/34/63/448123463.db2.gz YGXMQBAAKJPIHV-CXAGYDPISA-N 1 2 341.411 1.811 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000491787921 448123467 /nfs/dbraw/zinc/12/34/67/448123467.db2.gz YGXMQBAAKJPIHV-CXAGYDPISA-N 1 2 341.411 1.811 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000491787921 448123469 /nfs/dbraw/zinc/12/34/69/448123469.db2.gz YGXMQBAAKJPIHV-CXAGYDPISA-N 1 2 341.411 1.811 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000561986876 448240624 /nfs/dbraw/zinc/24/06/24/448240624.db2.gz CDJKHJGMBAPJGE-KXBFYZLASA-N 1 2 344.459 1.678 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000561986876 448240630 /nfs/dbraw/zinc/24/06/30/448240630.db2.gz CDJKHJGMBAPJGE-KXBFYZLASA-N 1 2 344.459 1.678 20 30 EDEDLO CC1CC(C#N)(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000532326517 448236886 /nfs/dbraw/zinc/23/68/86/448236886.db2.gz BWYNDVYRXLQZIP-UHFFFAOYSA-N 1 2 337.427 1.918 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c1C#N ZINC000591053753 448245117 /nfs/dbraw/zinc/24/51/17/448245117.db2.gz KYIRLRVCANHMLH-CYBMUJFWSA-N 1 2 325.372 1.761 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c1C#N ZINC000591053753 448245121 /nfs/dbraw/zinc/24/51/21/448245121.db2.gz KYIRLRVCANHMLH-CYBMUJFWSA-N 1 2 325.372 1.761 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)c1C#N ZINC000591053753 448245128 /nfs/dbraw/zinc/24/51/28/448245128.db2.gz KYIRLRVCANHMLH-CYBMUJFWSA-N 1 2 325.372 1.761 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)c1C#N ZINC000591053753 448245134 /nfs/dbraw/zinc/24/51/34/448245134.db2.gz KYIRLRVCANHMLH-CYBMUJFWSA-N 1 2 325.372 1.761 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c1C#N ZINC000591053753 448245142 /nfs/dbraw/zinc/24/51/42/448245142.db2.gz KYIRLRVCANHMLH-CYBMUJFWSA-N 1 2 325.372 1.761 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c1C#N ZINC000591053753 448245148 /nfs/dbraw/zinc/24/51/48/448245148.db2.gz KYIRLRVCANHMLH-CYBMUJFWSA-N 1 2 325.372 1.761 20 30 EDEDLO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000591375709 448349518 /nfs/dbraw/zinc/34/95/18/448349518.db2.gz VIDGEYUWWLIEKS-KXBFYZLASA-N 1 2 343.427 1.937 20 30 EDEDLO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000591375709 448349521 /nfs/dbraw/zinc/34/95/21/448349521.db2.gz VIDGEYUWWLIEKS-KXBFYZLASA-N 1 2 343.427 1.937 20 30 EDEDLO C[C@H](C#N)C[NH2+]CCS(=O)(=O)c1cccc(Br)c1 ZINC000583689250 448460361 /nfs/dbraw/zinc/46/03/61/448460361.db2.gz ZYZVSNQBJQIOIH-SNVBAGLBSA-N 1 2 331.235 1.972 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000591859786 448507053 /nfs/dbraw/zinc/50/70/53/448507053.db2.gz CVCRBCDKZXQITJ-OWCLPIDISA-N 1 2 347.463 1.017 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000591901390 448557461 /nfs/dbraw/zinc/55/74/61/448557461.db2.gz UIXNQFJVLAPSJZ-KRWDZBQOSA-N 1 2 327.388 1.405 20 30 EDEDLO COc1ccc2ncc(C#N)c(NCC[N@@H+]3CCOC[C@@H]3C)c2c1 ZINC000591907429 448563069 /nfs/dbraw/zinc/56/30/69/448563069.db2.gz BEBDTAIODSMNRJ-ZDUSSCGKSA-N 1 2 326.400 1.670 20 30 EDEDLO COc1ccc2ncc(C#N)c(NCC[N@H+]3CCOC[C@@H]3C)c2c1 ZINC000591907429 448563075 /nfs/dbraw/zinc/56/30/75/448563075.db2.gz BEBDTAIODSMNRJ-ZDUSSCGKSA-N 1 2 326.400 1.670 20 30 EDEDLO C[C@H](c1cccnc1)N1C(=O)C[C@H]([NH+]2CCC(C)(C#N)CC2)C1=O ZINC000541859061 448697394 /nfs/dbraw/zinc/69/73/94/448697394.db2.gz WUPPDLUUVIKXOY-HIFRSBDPSA-N 1 2 326.400 1.896 20 30 EDEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000541945501 448704185 /nfs/dbraw/zinc/70/41/85/448704185.db2.gz PZQFKINSRYSGSZ-AWEZNQCLSA-N 1 2 344.415 1.445 20 30 EDEDLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592144556 448705399 /nfs/dbraw/zinc/70/53/99/448705399.db2.gz AACYJYTYTGSGAM-INIZCTEOSA-N 1 2 339.798 1.788 20 30 EDEDLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592144556 448705405 /nfs/dbraw/zinc/70/54/05/448705405.db2.gz AACYJYTYTGSGAM-INIZCTEOSA-N 1 2 339.798 1.788 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148974 448709474 /nfs/dbraw/zinc/70/94/74/448709474.db2.gz GGIVIJRNKHQADN-LSCKAKRGSA-N 1 2 332.448 1.656 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148974 448709477 /nfs/dbraw/zinc/70/94/77/448709477.db2.gz GGIVIJRNKHQADN-LSCKAKRGSA-N 1 2 332.448 1.656 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000592149425 448709757 /nfs/dbraw/zinc/70/97/57/448709757.db2.gz OVVVGNIQBIBFNR-LJQANCHMSA-N 1 2 338.411 1.244 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000592149425 448709761 /nfs/dbraw/zinc/70/97/61/448709761.db2.gz OVVVGNIQBIBFNR-LJQANCHMSA-N 1 2 338.411 1.244 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000592197833 448736424 /nfs/dbraw/zinc/73/64/24/448736424.db2.gz NIICVUDQSSTEBL-OLZOCXBDSA-N 1 2 340.326 1.515 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000592197833 448736429 /nfs/dbraw/zinc/73/64/29/448736429.db2.gz NIICVUDQSSTEBL-OLZOCXBDSA-N 1 2 340.326 1.515 20 30 EDEDLO C[C@H](NC(=O)C(=O)NCc1cn2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000585689157 448740105 /nfs/dbraw/zinc/74/01/05/448740105.db2.gz WQDQTGLXRNHNGF-ZDUSSCGKSA-N 1 2 347.378 1.700 20 30 EDEDLO C[C@H](NC(=O)C(=O)NCCCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000585774571 448761008 /nfs/dbraw/zinc/76/10/08/448761008.db2.gz NWKKMSHSONBUJY-AWEZNQCLSA-N 1 2 339.399 1.529 20 30 EDEDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000579974936 448926927 /nfs/dbraw/zinc/92/69/27/448926927.db2.gz BWECJDBNRXMBGC-INIZCTEOSA-N 1 2 342.443 1.481 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnnn1-c1ccccc1 ZINC000588961054 448954003 /nfs/dbraw/zinc/95/40/03/448954003.db2.gz QSFZWEDYWQBFAE-UHFFFAOYSA-N 1 2 340.431 1.315 20 30 EDEDLO CCn1ccc(C[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000588969345 448954948 /nfs/dbraw/zinc/95/49/48/448954948.db2.gz FENNEMJJZTVLMP-UHFFFAOYSA-N 1 2 332.429 1.680 20 30 EDEDLO CCn1ccc(C[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000588969345 448954954 /nfs/dbraw/zinc/95/49/54/448954954.db2.gz FENNEMJJZTVLMP-UHFFFAOYSA-N 1 2 332.429 1.680 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(CC#N)CC1)C(C)(C)CO ZINC000581082995 448966266 /nfs/dbraw/zinc/96/62/66/448966266.db2.gz OKGKPYLIBCMHAP-GFCCVEGCSA-N 1 2 340.449 1.093 20 30 EDEDLO Cc1nc2cncc(N3CC[NH+](Cc4ccccc4C#N)CC3)n2n1 ZINC000548678983 449080056 /nfs/dbraw/zinc/08/00/56/449080056.db2.gz HGXRQYXLAXHXKR-UHFFFAOYSA-N 1 2 333.399 1.627 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(C#N)n1 ZINC000569573583 449046560 /nfs/dbraw/zinc/04/65/60/449046560.db2.gz VVHUEQPSRUOZGP-UHFFFAOYSA-N 1 2 328.376 1.033 20 30 EDEDLO N#CCCCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000589683776 449049037 /nfs/dbraw/zinc/04/90/37/449049037.db2.gz SWLLPDPUFFVUIS-UHFFFAOYSA-N 1 2 329.400 1.796 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@@](C)(C3CC3)C2)CC1 ZINC000595627128 449088448 /nfs/dbraw/zinc/08/84/48/449088448.db2.gz VOXHXZNSBXUZJV-IEBWSBKVSA-N 1 2 348.491 1.180 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@@](C)(C3CC3)C2)CC1 ZINC000595627128 449088456 /nfs/dbraw/zinc/08/84/56/449088456.db2.gz VOXHXZNSBXUZJV-IEBWSBKVSA-N 1 2 348.491 1.180 20 30 EDEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000593047172 449112651 /nfs/dbraw/zinc/11/26/51/449112651.db2.gz UXVULBDAQDAIQT-HUUCEWRRSA-N 1 2 348.447 1.837 20 30 EDEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000593047172 449112654 /nfs/dbraw/zinc/11/26/54/449112654.db2.gz UXVULBDAQDAIQT-HUUCEWRRSA-N 1 2 348.447 1.837 20 30 EDEDLO CCc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nnn1Cc1ccccc1 ZINC000593153624 449153676 /nfs/dbraw/zinc/15/36/76/449153676.db2.gz YBLWUGGSOVEPFX-SFHVURJKSA-N 1 2 340.431 1.462 20 30 EDEDLO N#Cc1cc(Cl)c(C(=O)NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000611093282 449166776 /nfs/dbraw/zinc/16/67/76/449166776.db2.gz UUJMOYCIRDEIPE-UHFFFAOYSA-N 1 2 328.199 1.927 20 30 EDEDLO N#Cc1ccncc1N1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000590449297 449169705 /nfs/dbraw/zinc/16/97/05/449169705.db2.gz VVKUQJLEJBZPTL-HNNXBMFYSA-N 1 2 336.399 1.061 20 30 EDEDLO COc1ccc(CCNC(=O)C[N@@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000595836329 449198989 /nfs/dbraw/zinc/19/89/89/449198989.db2.gz XTIYILFESVZJAN-SFHVURJKSA-N 1 2 331.416 1.598 20 30 EDEDLO COc1ccc(CCNC(=O)C[N@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000595836329 449198994 /nfs/dbraw/zinc/19/89/94/449198994.db2.gz XTIYILFESVZJAN-SFHVURJKSA-N 1 2 331.416 1.598 20 30 EDEDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000595849723 449204668 /nfs/dbraw/zinc/20/46/68/449204668.db2.gz XFJBECODRSKBEB-OKILXGFUSA-N 1 2 336.413 1.215 20 30 EDEDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000595849723 449204675 /nfs/dbraw/zinc/20/46/75/449204675.db2.gz XFJBECODRSKBEB-OKILXGFUSA-N 1 2 336.413 1.215 20 30 EDEDLO N#Cc1cc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)ccc1F ZINC000601888071 449206986 /nfs/dbraw/zinc/20/69/86/449206986.db2.gz PBMWWGVAGJDDNL-UHFFFAOYSA-N 1 2 339.374 1.488 20 30 EDEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000601888028 449207143 /nfs/dbraw/zinc/20/71/43/449207143.db2.gz NIDKGIMYEHMBMY-UHFFFAOYSA-N 1 2 339.374 1.488 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000598000175 449185592 /nfs/dbraw/zinc/18/55/92/449185592.db2.gz YAVYJKCFPOBHLO-RKVPGOIHSA-N 1 2 340.427 1.466 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000598000175 449185595 /nfs/dbraw/zinc/18/55/95/449185595.db2.gz YAVYJKCFPOBHLO-RKVPGOIHSA-N 1 2 340.427 1.466 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595827313 449190315 /nfs/dbraw/zinc/19/03/15/449190315.db2.gz BQDBGMXODGZRMJ-YJBOKZPZSA-N 1 2 341.411 1.717 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595827313 449190320 /nfs/dbraw/zinc/19/03/20/449190320.db2.gz BQDBGMXODGZRMJ-YJBOKZPZSA-N 1 2 341.411 1.717 20 30 EDEDLO CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601863858 449193656 /nfs/dbraw/zinc/19/36/56/449193656.db2.gz CYAHMKSFQGDLQJ-XGUBFFRZSA-N 1 2 332.452 1.818 20 30 EDEDLO CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC000601863858 449193657 /nfs/dbraw/zinc/19/36/57/449193657.db2.gz CYAHMKSFQGDLQJ-XGUBFFRZSA-N 1 2 332.452 1.818 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@](C)(C#N)C2)cc1OC ZINC000595832366 449195243 /nfs/dbraw/zinc/19/52/43/449195243.db2.gz BKOOHSYUKNKXIL-GOSISDBHSA-N 1 2 331.416 1.898 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@](C)(C#N)C2)cc1OC ZINC000595832366 449195246 /nfs/dbraw/zinc/19/52/46/449195246.db2.gz BKOOHSYUKNKXIL-GOSISDBHSA-N 1 2 331.416 1.898 20 30 EDEDLO COC(=O)[C@H](COC(C)C)N(C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000611287193 449251111 /nfs/dbraw/zinc/25/11/11/449251111.db2.gz QOLJAQGEZHXMQY-HNNXBMFYSA-N 1 2 330.388 1.604 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601970843 449253142 /nfs/dbraw/zinc/25/31/42/449253142.db2.gz QNTZHIBZAHPBCZ-BBRMVZONSA-N 1 2 328.416 1.828 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601970843 449253144 /nfs/dbraw/zinc/25/31/44/449253144.db2.gz QNTZHIBZAHPBCZ-BBRMVZONSA-N 1 2 328.416 1.828 20 30 EDEDLO C[C@H](CNC(=O)c1ncc(C#N)cc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099787 449354765 /nfs/dbraw/zinc/35/47/65/449354765.db2.gz TYLHWXDAPVJZJS-UTUOFQBUSA-N 1 2 336.823 1.834 20 30 EDEDLO C[C@H](CNC(=O)c1ncc(C#N)cc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099787 449354771 /nfs/dbraw/zinc/35/47/71/449354771.db2.gz TYLHWXDAPVJZJS-UTUOFQBUSA-N 1 2 336.823 1.834 20 30 EDEDLO Cc1cc(N2C[C@H](O)C(C)(C)C2)c(C#N)c(N2C[C@H](O)C(C)(C)C2)[nH+]1 ZINC000596216022 449420417 /nfs/dbraw/zinc/42/04/17/449420417.db2.gz GSDKPJFZLAMDNU-HOTGVXAUSA-N 1 2 344.459 1.676 20 30 EDEDLO Cc1[nH+]c(NCC2(CC#N)CC2)nc(NCC2(CC#N)CC2)c1F ZINC000596216657 449421673 /nfs/dbraw/zinc/42/16/73/449421673.db2.gz PVBIRDUIQPKIKA-UHFFFAOYSA-N 1 2 328.395 1.979 20 30 EDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCN(CCC#N)CC1 ZINC000602206344 449433404 /nfs/dbraw/zinc/43/34/04/449433404.db2.gz LBVOUGFFQFTNEF-UHFFFAOYSA-N 1 2 347.369 1.681 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000600684926 449492064 /nfs/dbraw/zinc/49/20/64/449492064.db2.gz WOYAEPZYHRWLOA-MRXNPFEDSA-N 1 2 340.383 1.486 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000600684926 449492071 /nfs/dbraw/zinc/49/20/71/449492071.db2.gz WOYAEPZYHRWLOA-MRXNPFEDSA-N 1 2 340.383 1.486 20 30 EDEDLO N#Cc1cncc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)n1 ZINC000596515365 449536517 /nfs/dbraw/zinc/53/65/17/449536517.db2.gz NSNYSYYSKZBTEM-GOSISDBHSA-N 1 2 339.399 1.024 20 30 EDEDLO N#Cc1cncc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)n1 ZINC000596515365 449536523 /nfs/dbraw/zinc/53/65/23/449536523.db2.gz NSNYSYYSKZBTEM-GOSISDBHSA-N 1 2 339.399 1.024 20 30 EDEDLO C[C@@H]1CN(c2ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000602335205 449523088 /nfs/dbraw/zinc/52/30/88/449523088.db2.gz VIYWMCXAJXPMFJ-KHYOSLBOSA-N 1 2 344.459 1.874 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccn(C(F)F)c1=O ZINC000602424691 449576747 /nfs/dbraw/zinc/57/67/47/449576747.db2.gz KWAFQVGOBOYEQY-UHFFFAOYSA-N 1 2 340.374 1.291 20 30 EDEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1cccn(C(F)F)c1=O ZINC000602424691 449576752 /nfs/dbraw/zinc/57/67/52/449576752.db2.gz KWAFQVGOBOYEQY-UHFFFAOYSA-N 1 2 340.374 1.291 20 30 EDEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1cccn(C(F)F)c1=O ZINC000602424691 449576755 /nfs/dbraw/zinc/57/67/55/449576755.db2.gz KWAFQVGOBOYEQY-UHFFFAOYSA-N 1 2 340.374 1.291 20 30 EDEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)[nH]1 ZINC000602437182 449586429 /nfs/dbraw/zinc/58/64/29/449586429.db2.gz WHCFKHKEQNLODP-UHFFFAOYSA-N 1 2 339.399 1.780 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)n1C ZINC000602438762 449586722 /nfs/dbraw/zinc/58/67/22/449586722.db2.gz AYWZVUQNDXZKQD-UHFFFAOYSA-N 1 2 339.399 1.401 20 30 EDEDLO C=CCCn1cc(C(=O)NCc2ccc[nH+]c2N2CCCC2)nn1 ZINC000617478245 449629290 /nfs/dbraw/zinc/62/92/90/449629290.db2.gz AJNBFHBAZZZBTF-UHFFFAOYSA-N 1 2 326.404 1.779 20 30 EDEDLO C[N@H+](CC1=CCCOC1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000594659578 449613728 /nfs/dbraw/zinc/61/37/28/449613728.db2.gz FXLCFPNYEGYBEZ-INIZCTEOSA-N 1 2 325.368 1.469 20 30 EDEDLO C[N@@H+](CC1=CCCOC1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000594659578 449613736 /nfs/dbraw/zinc/61/37/36/449613736.db2.gz FXLCFPNYEGYBEZ-INIZCTEOSA-N 1 2 325.368 1.469 20 30 EDEDLO C[C@@H](CC#N)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000596699682 449614025 /nfs/dbraw/zinc/61/40/25/449614025.db2.gz DVSYUYUYKSQGIN-AWEZNQCLSA-N 1 2 328.416 1.755 20 30 EDEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CCN(CC#N)CC1 ZINC000617512902 449661879 /nfs/dbraw/zinc/66/18/79/449661879.db2.gz KCOTXOVQDVYCGO-UHFFFAOYSA-N 1 2 346.479 1.855 20 30 EDEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598944508 449663138 /nfs/dbraw/zinc/66/31/38/449663138.db2.gz OTJBZVMAEFCFJR-CQSZACIVSA-N 1 2 337.383 1.605 20 30 EDEDLO Cc1cc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)nn1-c1cccc(C#N)c1 ZINC000598946775 449663826 /nfs/dbraw/zinc/66/38/26/449663826.db2.gz IZVJBYSLWNNFBU-HNNXBMFYSA-N 1 2 346.394 1.994 20 30 EDEDLO N#CCC(=O)N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599100455 449731529 /nfs/dbraw/zinc/73/15/29/449731529.db2.gz IDNNOROBYBATHO-UHFFFAOYSA-N 1 2 325.328 1.705 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614665016 449748297 /nfs/dbraw/zinc/74/82/97/449748297.db2.gz KORIUSWYBMZWKA-RHSMWYFYSA-N 1 2 336.436 1.627 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614665016 449748307 /nfs/dbraw/zinc/74/83/07/449748307.db2.gz KORIUSWYBMZWKA-RHSMWYFYSA-N 1 2 336.436 1.627 20 30 EDEDLO CN(c1[nH+]cnc2c1cnn2CCC#N)[C@@H]1CCCCN(C)C1=O ZINC000601229253 449762836 /nfs/dbraw/zinc/76/28/36/449762836.db2.gz KDTQZUNBUAFTEB-CYBMUJFWSA-N 1 2 327.392 1.187 20 30 EDEDLO C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000599194659 449790947 /nfs/dbraw/zinc/79/09/47/449790947.db2.gz SQKOQYNOSCCWRW-DOTOQJQBSA-N 1 2 328.416 1.565 20 30 EDEDLO C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000599194659 449790954 /nfs/dbraw/zinc/79/09/54/449790954.db2.gz SQKOQYNOSCCWRW-DOTOQJQBSA-N 1 2 328.416 1.565 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000602848411 449855421 /nfs/dbraw/zinc/85/54/21/449855421.db2.gz NGHQSSMGMAVGIQ-BFHYXJOUSA-N 1 2 331.416 1.885 20 30 EDEDLO COc1cc(C#N)ccc1OCC[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000602848411 449855424 /nfs/dbraw/zinc/85/54/24/449855424.db2.gz NGHQSSMGMAVGIQ-BFHYXJOUSA-N 1 2 331.416 1.885 20 30 EDEDLO Cc1ccccc1CN(C)C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854632 449861000 /nfs/dbraw/zinc/86/10/00/449861000.db2.gz CMFBXNJGJNWMBU-IRXDYDNUSA-N 1 2 328.460 1.872 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000601382656 449899084 /nfs/dbraw/zinc/89/90/84/449899084.db2.gz FELVQUUROQSMSF-UHFFFAOYSA-N 1 2 325.409 1.721 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000601382656 449899088 /nfs/dbraw/zinc/89/90/88/449899088.db2.gz FELVQUUROQSMSF-UHFFFAOYSA-N 1 2 325.409 1.721 20 30 EDEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc(OC)c1OCC(N)=O ZINC000597229519 449884170 /nfs/dbraw/zinc/88/41/70/449884170.db2.gz LUNAIQSPCWEZOP-KRWDZBQOSA-N 1 2 333.388 1.303 20 30 EDEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cc(OC)c1OCC(N)=O ZINC000597229519 449884172 /nfs/dbraw/zinc/88/41/72/449884172.db2.gz LUNAIQSPCWEZOP-KRWDZBQOSA-N 1 2 333.388 1.303 20 30 EDEDLO C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)[C@@H](c2ccccc2)C1 ZINC000595124473 449884536 /nfs/dbraw/zinc/88/45/36/449884536.db2.gz JTUMTINDADSFGK-APWZRJJASA-N 1 2 340.427 1.264 20 30 EDEDLO C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@](C)(C#N)C2)[C@@H](c2ccccc2)C1 ZINC000595124473 449884543 /nfs/dbraw/zinc/88/45/43/449884543.db2.gz JTUMTINDADSFGK-APWZRJJASA-N 1 2 340.427 1.264 20 30 EDEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CCN1Cc1ccccc1 ZINC000597241804 449890916 /nfs/dbraw/zinc/89/09/16/449890916.db2.gz HUADYNDKNVACNR-SJORKVTESA-N 1 2 349.438 1.751 20 30 EDEDLO N#C[C@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CCN1Cc1ccccc1 ZINC000597241804 449890923 /nfs/dbraw/zinc/89/09/23/449890923.db2.gz HUADYNDKNVACNR-SJORKVTESA-N 1 2 349.438 1.751 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)NCc2ccc[nH+]c2N2CCCC2)n1 ZINC000602887736 449895441 /nfs/dbraw/zinc/89/54/41/449895441.db2.gz ROXABSMFEDCRRO-UHFFFAOYSA-N 1 2 325.376 1.609 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615092323 449952626 /nfs/dbraw/zinc/95/26/26/449952626.db2.gz UECLQGFHQLFMHY-OAGGEKHMSA-N 1 2 340.489 1.244 20 30 EDEDLO C=CCCSCCNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000595149498 449902835 /nfs/dbraw/zinc/90/28/35/449902835.db2.gz CFGDFKHIPKIZEM-UHFFFAOYSA-N 1 2 336.461 1.541 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)c2cc3ccccc3n2CC#N)CCO1 ZINC000609169028 449972368 /nfs/dbraw/zinc/97/23/68/449972368.db2.gz MCNDAOQWBNDTMU-AWEZNQCLSA-N 1 2 326.400 1.615 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc3ccccc3n2CC#N)CCO1 ZINC000609169028 449972372 /nfs/dbraw/zinc/97/23/72/449972372.db2.gz MCNDAOQWBNDTMU-AWEZNQCLSA-N 1 2 326.400 1.615 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000595288171 450003324 /nfs/dbraw/zinc/00/33/24/450003324.db2.gz LAEUZOJHFZJJJC-DJIMGWMZSA-N 1 2 339.443 1.523 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601488311 450008892 /nfs/dbraw/zinc/00/88/92/450008892.db2.gz HEQMSPJNMFAAAV-KBPBESRZSA-N 1 2 345.422 1.533 20 30 EDEDLO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000599563209 450062801 /nfs/dbraw/zinc/06/28/01/450062801.db2.gz BHTOZTYHPLXWAY-INIZCTEOSA-N 1 2 340.326 1.924 20 30 EDEDLO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000599563209 450062806 /nfs/dbraw/zinc/06/28/06/450062806.db2.gz BHTOZTYHPLXWAY-INIZCTEOSA-N 1 2 340.326 1.924 20 30 EDEDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609484916 450034811 /nfs/dbraw/zinc/03/48/11/450034811.db2.gz GXAPNNKGYMTFKA-HUUCEWRRSA-N 1 2 337.468 1.022 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000609484920 450035529 /nfs/dbraw/zinc/03/55/29/450035529.db2.gz GXGJSBWMBMQFFI-FGTMMUONSA-N 1 2 348.491 1.322 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H](C)CC#N)CC1 ZINC000597535418 450089995 /nfs/dbraw/zinc/08/99/95/450089995.db2.gz ZYNXNTMGYXZBRK-AWEZNQCLSA-N 1 2 328.416 1.839 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1ccccc1 ZINC000599632046 450116240 /nfs/dbraw/zinc/11/62/40/450116240.db2.gz MEWLBWCASZTDJX-KCYKTTMJSA-N 1 2 345.468 1.919 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)c1ccccc1 ZINC000599632046 450116243 /nfs/dbraw/zinc/11/62/43/450116243.db2.gz MEWLBWCASZTDJX-KCYKTTMJSA-N 1 2 345.468 1.919 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)N1CCc2[nH]c[nH+]c2C12CCOCC2 ZINC000601657951 450147820 /nfs/dbraw/zinc/14/78/20/450147820.db2.gz ZRTCFUWVZVIGSK-UHFFFAOYSA-N 1 2 326.356 1.887 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CCOc2cccc(C(=O)OC)c2)nn1 ZINC000603219938 450152795 /nfs/dbraw/zinc/15/27/95/450152795.db2.gz RLCUSKRZZZKLTQ-UHFFFAOYSA-N 1 2 328.372 1.257 20 30 EDEDLO COc1ccc(Cn2cc(CC[NH+]3CCOCC3)nn2)cc1C#N ZINC000603229787 450159995 /nfs/dbraw/zinc/15/99/95/450159995.db2.gz OTJFBLPLMPFXGW-UHFFFAOYSA-N 1 2 327.388 1.081 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597648869 450169595 /nfs/dbraw/zinc/16/95/95/450169595.db2.gz SBNKVVDPIYXIFK-WCQYABFASA-N 1 2 335.354 1.772 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cccc(-n3cccc3)c2C#N)CC1 ZINC000603275624 450201359 /nfs/dbraw/zinc/20/13/59/450201359.db2.gz ZRKOCEASWXVQOS-UHFFFAOYSA-N 1 2 349.438 1.773 20 30 EDEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000615800413 450246217 /nfs/dbraw/zinc/24/62/17/450246217.db2.gz GPJTXHDJTVZUKY-RISCZKNCSA-N 1 2 333.354 1.981 20 30 EDEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000615800413 450246222 /nfs/dbraw/zinc/24/62/22/450246222.db2.gz GPJTXHDJTVZUKY-RISCZKNCSA-N 1 2 333.354 1.981 20 30 EDEDLO N#Cc1cnc2c(Cl)cccc2c1N1CC2(C1)CC(=O)NCC[NH2+]2 ZINC000603414723 450289536 /nfs/dbraw/zinc/28/95/36/450289536.db2.gz BJWJAFVWRZJPHK-UHFFFAOYSA-N 1 2 341.802 1.428 20 30 EDEDLO C=CC[NH+]1CCC(NC(=O)c2cc(S(C)(=O)=O)oc2C)CC1 ZINC000625323227 450290461 /nfs/dbraw/zinc/29/04/61/450290461.db2.gz URTTUYFMYJSSHZ-UHFFFAOYSA-N 1 2 326.418 1.372 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000619647275 450297623 /nfs/dbraw/zinc/29/76/23/450297623.db2.gz FIDJDUNZSXQEQE-WMLDXEAASA-N 1 2 330.407 1.699 20 30 EDEDLO C=C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)C(=O)OC ZINC000619704294 450312293 /nfs/dbraw/zinc/31/22/93/450312293.db2.gz BIHRDJNZJUSAHO-LBPRGKRZSA-N 1 2 346.836 1.326 20 30 EDEDLO CN1CCO[C@@H]2C[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]21 ZINC000610899353 450372646 /nfs/dbraw/zinc/37/26/46/450372646.db2.gz MEZIWNRTGUZTDJ-HUUCEWRRSA-N 1 2 325.372 1.123 20 30 EDEDLO CN1CCO[C@@H]2C[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]21 ZINC000610899353 450372659 /nfs/dbraw/zinc/37/26/59/450372659.db2.gz MEZIWNRTGUZTDJ-HUUCEWRRSA-N 1 2 325.372 1.123 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]21 ZINC000610899353 450372663 /nfs/dbraw/zinc/37/26/63/450372663.db2.gz MEZIWNRTGUZTDJ-HUUCEWRRSA-N 1 2 325.372 1.123 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@H]21 ZINC000610899353 450372666 /nfs/dbraw/zinc/37/26/66/450372666.db2.gz MEZIWNRTGUZTDJ-HUUCEWRRSA-N 1 2 325.372 1.123 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619940500 450379781 /nfs/dbraw/zinc/37/97/81/450379781.db2.gz BAERQNPDNHXNNT-LJQANCHMSA-N 1 2 332.444 1.578 20 30 EDEDLO C=CC(C)(C)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619940500 450379784 /nfs/dbraw/zinc/37/97/84/450379784.db2.gz BAERQNPDNHXNNT-LJQANCHMSA-N 1 2 332.444 1.578 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000619944577 450381142 /nfs/dbraw/zinc/38/11/42/450381142.db2.gz UKXDQUIEQRCIOU-YLJYHZDGSA-N 1 2 346.471 1.968 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000619944577 450381145 /nfs/dbraw/zinc/38/11/45/450381145.db2.gz UKXDQUIEQRCIOU-YLJYHZDGSA-N 1 2 346.471 1.968 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626006534 450552667 /nfs/dbraw/zinc/55/26/67/450552667.db2.gz AIWSVQLVPZLKSG-AWEZNQCLSA-N 1 2 330.359 1.346 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCO[C@@H](CCF)C1 ZINC000626006534 450552668 /nfs/dbraw/zinc/55/26/68/450552668.db2.gz AIWSVQLVPZLKSG-AWEZNQCLSA-N 1 2 330.359 1.346 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2cccc(Cl)c2)nn1 ZINC000640787622 451580055 /nfs/dbraw/zinc/58/00/55/451580055.db2.gz IHRFFANKYQRTSD-UHFFFAOYSA-N 1 2 331.807 1.361 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCc2ccc(C)cc2)nn1 ZINC000640888927 451675089 /nfs/dbraw/zinc/67/50/89/451675089.db2.gz QFEACIXPLLGSQK-HNNXBMFYSA-N 1 2 325.416 1.577 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)nn1 ZINC000657448188 452253473 /nfs/dbraw/zinc/25/34/73/452253473.db2.gz UGMOUSGIXNZTRT-QGZVFWFLSA-N 1 2 343.406 1.884 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000659810204 452699454 /nfs/dbraw/zinc/69/94/54/452699454.db2.gz LKPUKBOLZMDOBV-UHFFFAOYSA-N 1 2 325.416 1.050 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000662079280 452825623 /nfs/dbraw/zinc/82/56/23/452825623.db2.gz MAJXDQSAUCRREG-JONQDZQNSA-N 1 2 340.489 1.594 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000662079280 452825633 /nfs/dbraw/zinc/82/56/33/452825633.db2.gz MAJXDQSAUCRREG-JONQDZQNSA-N 1 2 340.489 1.594 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)C1=O ZINC000645994854 452987154 /nfs/dbraw/zinc/98/71/54/452987154.db2.gz WLKWQALPFRSAAT-MSOLQXFVSA-N 1 2 339.439 1.479 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)C1=O ZINC000645994854 452987160 /nfs/dbraw/zinc/98/71/60/452987160.db2.gz WLKWQALPFRSAAT-MSOLQXFVSA-N 1 2 339.439 1.479 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000644337755 453318646 /nfs/dbraw/zinc/31/86/46/453318646.db2.gz CKXFESMCMYRYIL-SJORKVTESA-N 1 2 346.475 1.919 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000644337755 453318652 /nfs/dbraw/zinc/31/86/52/453318652.db2.gz CKXFESMCMYRYIL-SJORKVTESA-N 1 2 346.475 1.919 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000644337755 453318664 /nfs/dbraw/zinc/31/86/64/453318664.db2.gz CKXFESMCMYRYIL-SJORKVTESA-N 1 2 346.475 1.919 20 30 EDEDLO C=CCOc1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000661164707 453742030 /nfs/dbraw/zinc/74/20/30/453742030.db2.gz JCHRFCXUWOMTSM-QGZVFWFLSA-N 1 2 345.443 1.868 20 30 EDEDLO C[N@@H+](CC#Cc1cccc(Cl)c1)CCN1CCCS1(=O)=O ZINC000676627463 486825961 /nfs/dbraw/zinc/82/59/61/486825961.db2.gz VWXKSMVBWOHIBJ-UHFFFAOYSA-N 1 2 326.849 1.659 20 30 EDEDLO C[N@H+](CC#Cc1cccc(Cl)c1)CCN1CCCS1(=O)=O ZINC000676627463 486825965 /nfs/dbraw/zinc/82/59/65/486825965.db2.gz VWXKSMVBWOHIBJ-UHFFFAOYSA-N 1 2 326.849 1.659 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000685570692 487296774 /nfs/dbraw/zinc/29/67/74/487296774.db2.gz VMNZNHKNSLIMBD-LJQANCHMSA-N 1 2 332.444 1.975 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000669198105 485800220 /nfs/dbraw/zinc/80/02/20/485800220.db2.gz LICFQJXJCZVQCD-HOTGVXAUSA-N 1 2 342.443 1.591 20 30 EDEDLO C=CCNC(=O)c1ccc(N2CCN(Cc3[nH+]ccn3C)CC2)nc1 ZINC000112557765 526641294 /nfs/dbraw/zinc/64/12/94/526641294.db2.gz OFUPKIVSSLZVCW-UHFFFAOYSA-N 1 2 340.431 1.053 20 30 EDEDLO C=CC[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000190157741 527014332 /nfs/dbraw/zinc/01/43/32/527014332.db2.gz YJTDMKVKJFVPPW-ZWKOTPCHSA-N 1 2 332.444 1.498 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000098136309 527017549 /nfs/dbraw/zinc/01/75/49/527017549.db2.gz ITWFIKITMUASOF-CQSZACIVSA-N 1 2 347.846 1.626 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000098136309 527017553 /nfs/dbraw/zinc/01/75/53/527017553.db2.gz ITWFIKITMUASOF-CQSZACIVSA-N 1 2 347.846 1.626 20 30 EDEDLO C#CCOc1cccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000108518179 527123341 /nfs/dbraw/zinc/12/33/41/527123341.db2.gz IZFXDZQPOUTTKS-UHFFFAOYSA-N 1 2 331.416 1.931 20 30 EDEDLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC(=O)NCc1ccc(F)cc1 ZINC000174224526 528119659 /nfs/dbraw/zinc/11/96/59/528119659.db2.gz AMVMQDMKOPZPCL-LBPRGKRZSA-N 1 2 325.384 1.792 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000128327030 528855674 /nfs/dbraw/zinc/85/56/74/528855674.db2.gz OIOPOOZCVBRWGP-WCQYABFASA-N 1 2 335.370 1.819 20 30 EDEDLO COc1ccc(NC(=O)CO[NH+]=C(N)[C@H]2CCCO2)cc1Cl ZINC000284078057 536772127 /nfs/dbraw/zinc/77/21/27/536772127.db2.gz KHEWFXRQIFEJNZ-GFCCVEGCSA-N 1 2 327.768 1.755 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000741718231 579425713 /nfs/dbraw/zinc/42/57/13/579425713.db2.gz KZBHXYOLBJSNIK-SJORKVTESA-N 1 2 325.412 1.314 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000741718231 579425715 /nfs/dbraw/zinc/42/57/15/579425715.db2.gz KZBHXYOLBJSNIK-SJORKVTESA-N 1 2 325.412 1.314 20 30 EDEDLO COC(=O)[C@@]1(C)CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000759783138 580014931 /nfs/dbraw/zinc/01/49/31/580014931.db2.gz IEJAVUIJFPHUOF-SFHVURJKSA-N 1 2 340.383 1.305 20 30 EDEDLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000759783138 580014932 /nfs/dbraw/zinc/01/49/32/580014932.db2.gz IEJAVUIJFPHUOF-SFHVURJKSA-N 1 2 340.383 1.305 20 30 EDEDLO C#Cc1ccc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cn1 ZINC000728812930 578552343 /nfs/dbraw/zinc/55/23/43/578552343.db2.gz QDZXYLIJYFZSOH-AWEZNQCLSA-N 1 2 336.395 1.613 20 30 EDEDLO C=CCc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc(OC)c1OC ZINC000729385569 578566743 /nfs/dbraw/zinc/56/67/43/578566743.db2.gz UEXSVEFEKGVJFB-CQSZACIVSA-N 1 2 348.443 1.883 20 30 EDEDLO C=CCc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc(OC)c1OC ZINC000729385569 578566744 /nfs/dbraw/zinc/56/67/44/578566744.db2.gz UEXSVEFEKGVJFB-CQSZACIVSA-N 1 2 348.443 1.883 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000732049725 578688521 /nfs/dbraw/zinc/68/85/21/578688521.db2.gz BEFIJTLEFDGTGI-HNNXBMFYSA-N 1 2 344.367 1.296 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000732049725 578688522 /nfs/dbraw/zinc/68/85/22/578688522.db2.gz BEFIJTLEFDGTGI-HNNXBMFYSA-N 1 2 344.367 1.296 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(CN3CCCCC3=O)cc2)CC1 ZINC000733160962 578746208 /nfs/dbraw/zinc/74/62/08/578746208.db2.gz HJQYXZCHMWAGRE-UHFFFAOYSA-N 1 2 339.439 1.590 20 30 EDEDLO COCCOC[C@@H]1CC[N@@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000744416929 579510040 /nfs/dbraw/zinc/51/00/40/579510040.db2.gz KBHPPQYFPFDGBN-NVXWUHKLSA-N 1 2 332.400 1.757 20 30 EDEDLO COCCOC[C@@H]1CC[N@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000744416929 579510042 /nfs/dbraw/zinc/51/00/42/579510042.db2.gz KBHPPQYFPFDGBN-NVXWUHKLSA-N 1 2 332.400 1.757 20 30 EDEDLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000745097860 579538637 /nfs/dbraw/zinc/53/86/37/579538637.db2.gz MDGSWALPJNQSEV-ZBFHGGJFSA-N 1 2 331.416 1.983 20 30 EDEDLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000745097860 579538638 /nfs/dbraw/zinc/53/86/38/579538638.db2.gz MDGSWALPJNQSEV-ZBFHGGJFSA-N 1 2 331.416 1.983 20 30 EDEDLO Cc1[nH]c2ccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)cc2[nH+]1 ZINC000746108599 579572176 /nfs/dbraw/zinc/57/21/76/579572176.db2.gz BMDWRRGBMJSLHT-MSUUIHNZSA-N 1 2 339.355 1.726 20 30 EDEDLO CC[N@H+](CCCO)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000748822917 579702372 /nfs/dbraw/zinc/70/23/72/579702372.db2.gz KHWZYVJNKASEHH-CYBMUJFWSA-N 1 2 328.372 1.216 20 30 EDEDLO CC[N@@H+](CCCO)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000748822917 579702373 /nfs/dbraw/zinc/70/23/73/579702373.db2.gz KHWZYVJNKASEHH-CYBMUJFWSA-N 1 2 328.372 1.216 20 30 EDEDLO CCN(CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000749384947 579724480 /nfs/dbraw/zinc/72/44/80/579724480.db2.gz NCEAOHFOSZTWES-UHFFFAOYSA-N 1 2 344.459 1.587 20 30 EDEDLO CO[C@@H]1CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000752322771 579845730 /nfs/dbraw/zinc/84/57/30/579845730.db2.gz QQGZOUDUSPSUBB-YPMHNXCESA-N 1 2 326.356 1.232 20 30 EDEDLO CO[C@@H]1CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000752322771 579845731 /nfs/dbraw/zinc/84/57/31/579845731.db2.gz QQGZOUDUSPSUBB-YPMHNXCESA-N 1 2 326.356 1.232 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)cc1 ZINC000754884329 579915236 /nfs/dbraw/zinc/91/52/36/579915236.db2.gz YTHXGJYOPFSTTK-SFHVURJKSA-N 1 2 327.428 1.684 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)cc1 ZINC000754884329 579915237 /nfs/dbraw/zinc/91/52/37/579915237.db2.gz YTHXGJYOPFSTTK-SFHVURJKSA-N 1 2 327.428 1.684 20 30 EDEDLO CC[C@@H](C)CN=Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000755554633 579929464 /nfs/dbraw/zinc/92/94/64/579929464.db2.gz WWKLJPLTGLGRAB-CYBMUJFWSA-N 1 2 339.465 1.462 20 30 EDEDLO CC[C@H](C)CN=Nc1ncccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000755730935 579933664 /nfs/dbraw/zinc/93/36/64/579933664.db2.gz PNNFEBWLIMHUAQ-ZDUSSCGKSA-N 1 2 339.465 1.462 20 30 EDEDLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](C)C#N ZINC000757906038 579972730 /nfs/dbraw/zinc/97/27/30/579972730.db2.gz GRROUEDDNCAIHH-MWLCHTKSSA-N 1 2 330.841 1.454 20 30 EDEDLO N#Cc1cccn(C[N@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)c1=O ZINC000758972461 579995622 /nfs/dbraw/zinc/99/56/22/579995622.db2.gz LNPNYGVBKVWCLW-HNNXBMFYSA-N 1 2 349.394 1.210 20 30 EDEDLO N#Cc1cccn(C[N@@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)c1=O ZINC000758972461 579995623 /nfs/dbraw/zinc/99/56/23/579995623.db2.gz LNPNYGVBKVWCLW-HNNXBMFYSA-N 1 2 349.394 1.210 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@]2(CO)CCOC2)cc1C ZINC000763892335 580107927 /nfs/dbraw/zinc/10/79/27/580107927.db2.gz YVIQTWOILCKQOS-IBGZPJMESA-N 1 2 345.443 1.633 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@]2(CO)CCOC2)cc1C ZINC000763892335 580107928 /nfs/dbraw/zinc/10/79/28/580107928.db2.gz YVIQTWOILCKQOS-IBGZPJMESA-N 1 2 345.443 1.633 20 30 EDEDLO Fc1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000767748922 580198520 /nfs/dbraw/zinc/19/85/20/580198520.db2.gz NGAOMNVYDQQHBW-UHFFFAOYSA-N 1 2 344.843 1.609 20 30 EDEDLO C[C@H](C#N)Oc1ccc(CN2CC[NH+](CC[S@](C)=O)CC2)cc1 ZINC000769479912 580238108 /nfs/dbraw/zinc/23/81/08/580238108.db2.gz KKEJUEUMVCYJKK-CMJOXMDJSA-N 1 2 335.473 1.474 20 30 EDEDLO NS(=O)(=O)c1ccccc1N[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000773121804 580327672 /nfs/dbraw/zinc/32/76/72/580327672.db2.gz UMMPYQXLPCNKEX-UHFFFAOYSA-N 1 2 346.416 1.170 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1csc(N(CCOC)C(C)=O)n1)[C@@H]1CCCO1 ZINC000775795669 580401080 /nfs/dbraw/zinc/40/10/80/580401080.db2.gz PEGGJXPHVLITEJ-CABCVRRESA-N 1 2 337.445 1.413 20 30 EDEDLO CC[C@]1(c2cnn(C)c2)NC(=O)N(C[NH+]2CCC(C)(C#N)CC2)C1=O ZINC000779880224 580500760 /nfs/dbraw/zinc/50/07/60/580500760.db2.gz YFUCAEITKPDNJN-QGZVFWFLSA-N 1 2 344.419 1.160 20 30 EDEDLO N#Cc1ccc([C@@H](O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000780848245 580534919 /nfs/dbraw/zinc/53/49/19/580534919.db2.gz BHJOCSNNKKUGKN-LJQANCHMSA-N 1 2 335.407 1.936 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000780861794 580535343 /nfs/dbraw/zinc/53/53/43/580535343.db2.gz UQEIOKAMRBPWEB-KRWDZBQOSA-N 1 2 341.436 1.998 20 30 EDEDLO NC(=NOCCOCC1CC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000782320336 580571862 /nfs/dbraw/zinc/57/18/62/580571862.db2.gz FRSQSOJUQAQLGY-UHFFFAOYSA-N 1 2 333.432 1.582 20 30 EDEDLO C[C@@H]1CN(C)C(=O)C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000782593420 580579294 /nfs/dbraw/zinc/57/92/94/580579294.db2.gz UJULOSCOGVHVMV-LLVKDONJSA-N 1 2 334.807 1.703 20 30 EDEDLO C[C@@H]1CN(C)C(=O)C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000782593420 580579295 /nfs/dbraw/zinc/57/92/95/580579295.db2.gz UJULOSCOGVHVMV-LLVKDONJSA-N 1 2 334.807 1.703 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@H](/N=C\c2cccc(O)c2O)C1=O ZINC000782878879 580587397 /nfs/dbraw/zinc/58/73/97/580587397.db2.gz BFJIEOMPQZEVPX-GJUHEBOISA-N 1 2 328.372 1.441 20 30 EDEDLO N#Cc1ccc(NCCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)nc1 ZINC000793007615 580833726 /nfs/dbraw/zinc/83/37/26/580833726.db2.gz IHZBDLCQJBNJRS-INIZCTEOSA-N 1 2 343.431 1.125 20 30 EDEDLO N#Cc1ccc(NCCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)nc1 ZINC000793007615 580833727 /nfs/dbraw/zinc/83/37/27/580833727.db2.gz IHZBDLCQJBNJRS-INIZCTEOSA-N 1 2 343.431 1.125 20 30 EDEDLO Cc1nn(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1[N+](=O)[O-] ZINC000793593004 580848548 /nfs/dbraw/zinc/84/85/48/580848548.db2.gz VAUUNNHYLWBART-CQSZACIVSA-N 1 2 342.359 1.786 20 30 EDEDLO Cc1nn(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1[N+](=O)[O-] ZINC000793593004 580848549 /nfs/dbraw/zinc/84/85/49/580848549.db2.gz VAUUNNHYLWBART-CQSZACIVSA-N 1 2 342.359 1.786 20 30 EDEDLO CC(C)(CO)CN[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000799116196 581017051 /nfs/dbraw/zinc/01/70/51/581017051.db2.gz ALJLYMVUVNISMW-UHFFFAOYSA-N 1 2 326.832 1.254 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@@H](c3cccc(F)c3)CC2=O)C1=O ZINC000799142178 581018531 /nfs/dbraw/zinc/01/85/31/581018531.db2.gz MATLJRJQFVJRPR-DOTOQJQBSA-N 1 2 345.418 1.818 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@@H](c3cccc(F)c3)CC2=O)C1=O ZINC000799142178 581018532 /nfs/dbraw/zinc/01/85/32/581018532.db2.gz MATLJRJQFVJRPR-DOTOQJQBSA-N 1 2 345.418 1.818 20 30 EDEDLO Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1C#N ZINC000799595465 581032280 /nfs/dbraw/zinc/03/22/80/581032280.db2.gz KEHCIZOMWXWVEY-UHFFFAOYSA-N 1 2 326.400 1.555 20 30 EDEDLO N#CC1(c2ccccn2)CC[NH+](CN2C[C@]3(CCOC3)CC2=O)CC1 ZINC000799942496 581039391 /nfs/dbraw/zinc/03/93/91/581039391.db2.gz CGNIRGSEJVMSBL-SFHVURJKSA-N 1 2 340.427 1.535 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000800021234 581040928 /nfs/dbraw/zinc/04/09/28/581040928.db2.gz IWQZGQIQADFBHT-ZDUSSCGKSA-N 1 2 333.417 1.298 20 30 EDEDLO C[C@@H](C#N)OCCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000801835372 581086048 /nfs/dbraw/zinc/08/60/48/581086048.db2.gz LGBFAYKAQWBIQB-YOEHRIQHSA-N 1 2 332.400 1.656 20 30 EDEDLO C#CC1(O)CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000893924181 591139814 /nfs/dbraw/zinc/13/98/14/591139814.db2.gz QVOCAIALQNPRRA-HUUCEWRRSA-N 1 2 335.354 1.100 20 30 EDEDLO C#CC1(O)CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000893924181 591139817 /nfs/dbraw/zinc/13/98/17/591139817.db2.gz QVOCAIALQNPRRA-HUUCEWRRSA-N 1 2 335.354 1.100 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3ccccc32)C1 ZINC000891606097 591146527 /nfs/dbraw/zinc/14/65/27/591146527.db2.gz LCRCPDZCDBAORE-MRXNPFEDSA-N 1 2 335.407 1.992 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3ccccc32)C1 ZINC000891606097 591146530 /nfs/dbraw/zinc/14/65/30/591146530.db2.gz LCRCPDZCDBAORE-MRXNPFEDSA-N 1 2 335.407 1.992 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(SC)c2)C1 ZINC000891606520 591147711 /nfs/dbraw/zinc/14/77/11/591147711.db2.gz OLECZDAURKQVCA-AWEZNQCLSA-N 1 2 331.441 1.561 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(SC)c2)C1 ZINC000891606520 591147714 /nfs/dbraw/zinc/14/77/14/591147714.db2.gz OLECZDAURKQVCA-AWEZNQCLSA-N 1 2 331.441 1.561 20 30 EDEDLO Cc1cc(F)c(C#N)c(N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000891652566 591169769 /nfs/dbraw/zinc/16/97/69/591169769.db2.gz BBXTTYGDBQQEFW-ZDUSSCGKSA-N 1 2 330.407 1.795 20 30 EDEDLO COC(=O)[C@H](C[C@@H]1CCCO1)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000895862068 591285973 /nfs/dbraw/zinc/28/59/73/591285973.db2.gz HXXLQHBPHDAYSF-GJZGRUSLSA-N 1 2 328.372 1.406 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896532531 591496653 /nfs/dbraw/zinc/49/66/53/591496653.db2.gz LSZPGQVLHGBCNA-VKJFTORMSA-N 1 2 328.460 1.487 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896532531 591496658 /nfs/dbraw/zinc/49/66/58/591496658.db2.gz LSZPGQVLHGBCNA-VKJFTORMSA-N 1 2 328.460 1.487 20 30 EDEDLO C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CN(C)CC[N@@H+]1C 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CC(N=Nc1ccc(S(N)(=O)=O)cc1)c1cn2c([nH+]1)CCCC2 ZINC000807938717 593211500 /nfs/dbraw/zinc/21/15/00/593211500.db2.gz HBUNQFCDLQNMGP-UHFFFAOYSA-N 1 2 333.417 1.703 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(C)oc3C)n2CCOC)CC1 ZINC000802507429 593258629 /nfs/dbraw/zinc/25/86/29/593258629.db2.gz GMRPEMMYAZSLKP-UHFFFAOYSA-N 1 2 343.431 1.557 20 30 EDEDLO C#C[C@H]([NH2+]CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C)[C@@H]1CCCO1 ZINC000839565038 593339238 /nfs/dbraw/zinc/33/92/38/593339238.db2.gz UQEMFEKABDEGJX-ZFWWWQNUSA-N 1 2 332.400 1.761 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(COC)OCCc2ccccc21 ZINC000811586095 593474565 /nfs/dbraw/zinc/47/45/65/593474565.db2.gz BPKUPJHOUHNRDQ-AZUAARDMSA-N 1 2 342.439 1.315 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(COC)OCCc2ccccc21 ZINC000811586095 593474566 /nfs/dbraw/zinc/47/45/66/593474566.db2.gz BPKUPJHOUHNRDQ-AZUAARDMSA-N 1 2 342.439 1.315 20 30 EDEDLO COc1cc(CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC000812021451 593488627 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COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1Cl ZINC000840759137 594814936 /nfs/dbraw/zinc/81/49/36/594814936.db2.gz VHZPJAOXJUQAID-LLVKDONJSA-N 1 2 326.780 1.712 20 30 EDEDLO C#CCOc1ccccc1NC(=O)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000835899003 594889511 /nfs/dbraw/zinc/88/95/11/594889511.db2.gz PVLOVYHLNBXWAL-CYBMUJFWSA-N 1 2 340.383 1.731 20 30 EDEDLO C[C@@H](ON=C(N)C[NH+]1CCSCC1)C(=O)NC1CCC(C)CC1 ZINC000121507877 594902462 /nfs/dbraw/zinc/90/24/62/594902462.db2.gz FYWJALDHBFWAIF-ROKHWSDSSA-N 1 2 342.509 1.407 20 30 EDEDLO C#C[C@@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000867282905 594996333 /nfs/dbraw/zinc/99/63/33/594996333.db2.gz WQXMUVPGVHPSOX-HUUCEWRRSA-N 1 2 342.848 1.264 20 30 EDEDLO C#C[C@@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000867282905 594996335 /nfs/dbraw/zinc/99/63/35/594996335.db2.gz WQXMUVPGVHPSOX-HUUCEWRRSA-N 1 2 342.848 1.264 20 30 EDEDLO CC(C)[C@@H](O[NH+]=C(N)c1ccc(Cl)cc1)C(=O)N1CCOCC1 ZINC000842019751 595003418 /nfs/dbraw/zinc/00/34/18/595003418.db2.gz WKUQUHLOBWBTKM-CQSZACIVSA-N 1 2 339.823 1.860 20 30 EDEDLO CC(C)[C@H](C(=O)OCc1ncc(C#N)cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000842080434 595014875 /nfs/dbraw/zinc/01/48/75/595014875.db2.gz OJJSXVXJZFQUIU-DVOMOZLQSA-N 1 2 332.404 1.525 20 30 EDEDLO CC(C)[C@H](C(=O)OCc1ncc(C#N)cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000842080434 595014876 /nfs/dbraw/zinc/01/48/76/595014876.db2.gz OJJSXVXJZFQUIU-DVOMOZLQSA-N 1 2 332.404 1.525 20 30 EDEDLO C=C[C@@H](C)ONC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000845632324 595035611 /nfs/dbraw/zinc/03/56/11/595035611.db2.gz KFJIITGNSYFNJO-WBVHZDCISA-N 1 2 333.432 1.735 20 30 EDEDLO C[C@@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CO1 ZINC000843266420 595058170 /nfs/dbraw/zinc/05/81/70/595058170.db2.gz LWHBXHGRMJVSLO-NEPJUHHUSA-N 1 2 326.400 1.824 20 30 EDEDLO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Cl)cc(Br)c1O ZINC000834480367 595136981 /nfs/dbraw/zinc/13/69/81/595136981.db2.gz PDTYPUWFNFPBAQ-QUBYGPBYSA-N 1 2 344.596 1.649 20 30 EDEDLO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Cl)cc(Br)c1O ZINC000834480365 595137255 /nfs/dbraw/zinc/13/72/55/595137255.db2.gz PDTYPUWFNFPBAQ-LDWIPMOCSA-N 1 2 344.596 1.649 20 30 EDEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(C)n(CC(=O)N(C)C)c2=S)C1 ZINC000842629472 595150376 /nfs/dbraw/zinc/15/03/76/595150376.db2.gz NPZUBKZFFWPFHX-AWEZNQCLSA-N 1 2 335.477 1.504 20 30 EDEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(C)n(CC(=O)N(C)C)c2=S)C1 ZINC000842629472 595150377 /nfs/dbraw/zinc/15/03/77/595150377.db2.gz NPZUBKZFFWPFHX-AWEZNQCLSA-N 1 2 335.477 1.504 20 30 EDEDLO COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(C)c(C#N)cn1 ZINC000842964905 595246301 /nfs/dbraw/zinc/24/63/01/595246301.db2.gz CWUZHTMGLFQLIX-DZGCQCFKSA-N 1 2 333.388 1.154 20 30 EDEDLO COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1cc(C)c(C#N)cn1 ZINC000842964905 595246303 /nfs/dbraw/zinc/24/63/03/595246303.db2.gz CWUZHTMGLFQLIX-DZGCQCFKSA-N 1 2 333.388 1.154 20 30 EDEDLO C#CCC1(C(=O)N2CC[NH+](CCOCCOC)CC2)CCCCC1 ZINC000846617801 595287319 /nfs/dbraw/zinc/28/73/19/595287319.db2.gz WUXAJIKNOPUKMR-UHFFFAOYSA-N 1 2 336.476 1.767 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](C[C@H]3CN(C4CC4)C(=O)O3)CC2)cc1 ZINC000844272629 595315037 /nfs/dbraw/zinc/31/50/37/595315037.db2.gz AWUQXJRSGYGJRZ-SFHVURJKSA-N 1 2 340.427 1.659 20 30 EDEDLO C[NH+](C)[C@H](C(=O)N[C@@H]1CCCN(O)C1=O)c1ccc(Cl)cc1 ZINC000848131157 595323775 /nfs/dbraw/zinc/32/37/75/595323775.db2.gz ZNZJABRYSPCQMV-OLZOCXBDSA-N 1 2 325.796 1.439 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000844528619 595355141 /nfs/dbraw/zinc/35/51/41/595355141.db2.gz KHLGXDGNNUSCGF-SJCJKPOMSA-N 1 2 332.379 1.139 20 30 EDEDLO COC(=O)COc1c(C)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1C ZINC000844528429 595355310 /nfs/dbraw/zinc/35/53/10/595355310.db2.gz IIVSVICDEQTHJZ-GOSISDBHSA-N 1 2 347.415 1.429 20 30 EDEDLO CCc1cccc(/N=C2\NC(=O)[C@@H](CC(=O)NCC[NH+](C)C)S2)c1 ZINC000106898566 595433265 /nfs/dbraw/zinc/43/32/65/595433265.db2.gz ZRJUAGUHNRPELV-CQSZACIVSA-N 1 2 348.472 1.536 20 30 EDEDLO C[N@H+](CC(=O)OCC(=O)Cc1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000845140131 595449803 /nfs/dbraw/zinc/44/98/03/595449803.db2.gz LGEDJQIONPCFHS-HNNXBMFYSA-N 1 2 332.425 1.650 20 30 EDEDLO C[N@@H+](CC(=O)OCC(=O)Cc1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000845140131 595449804 /nfs/dbraw/zinc/44/98/04/595449804.db2.gz LGEDJQIONPCFHS-HNNXBMFYSA-N 1 2 332.425 1.650 20 30 EDEDLO N#C[C@H](C(=O)Cc1cn2c([nH+]1)CCCC2)c1nnc2n1CCCCC2 ZINC000845445151 595498644 /nfs/dbraw/zinc/49/86/44/595498644.db2.gz GWWZYQSESOAPSA-CQSZACIVSA-N 1 2 338.415 1.956 20 30 EDEDLO C=CC[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccncc1 ZINC000853747783 595870656 /nfs/dbraw/zinc/87/06/56/595870656.db2.gz YLOGDZAYZNFZSQ-SJORKVTESA-N 1 2 330.432 1.815 20 30 EDEDLO C#CCOCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1 ZINC000851778538 595920291 /nfs/dbraw/zinc/92/02/91/595920291.db2.gz GIYDQVAOLFDGGL-KRWDZBQOSA-N 1 2 344.455 1.810 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000859026314 595953878 /nfs/dbraw/zinc/95/38/78/595953878.db2.gz KUDPZXCYFAUHRE-QGZVFWFLSA-N 1 2 330.432 1.337 20 30 EDEDLO C#CCCN(CCOC)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000856390445 595972658 /nfs/dbraw/zinc/97/26/58/595972658.db2.gz SRLAXBUKKNMROM-UHFFFAOYSA-N 1 2 331.416 1.026 20 30 EDEDLO C#CCCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000852154014 596063297 /nfs/dbraw/zinc/06/32/97/596063297.db2.gz LPOGBIVZOKEALV-GOSISDBHSA-N 1 2 328.460 1.515 20 30 EDEDLO C#CCCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000852154014 596063302 /nfs/dbraw/zinc/06/33/02/596063302.db2.gz LPOGBIVZOKEALV-GOSISDBHSA-N 1 2 328.460 1.515 20 30 EDEDLO C#C[C@H](CC)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000852278149 596111369 /nfs/dbraw/zinc/11/13/69/596111369.db2.gz VAXPKKUEVVIWAB-KURKYZTESA-N 1 2 327.428 1.693 20 30 EDEDLO C#C[C@H](CC)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000852278149 596111374 /nfs/dbraw/zinc/11/13/74/596111374.db2.gz VAXPKKUEVVIWAB-KURKYZTESA-N 1 2 327.428 1.693 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CC(=O)NCCC#N)Cc2ccccc21 ZINC000852319030 596124637 /nfs/dbraw/zinc/12/46/37/596124637.db2.gz FKVCGXQUDWDQPH-MRXNPFEDSA-N 1 2 343.427 1.957 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CC(=O)NCCC#N)Cc2ccccc21 ZINC000852319030 596124640 /nfs/dbraw/zinc/12/46/40/596124640.db2.gz FKVCGXQUDWDQPH-MRXNPFEDSA-N 1 2 343.427 1.957 20 30 EDEDLO N#Cc1sccc1N1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)CC1 ZINC000852360245 596136494 /nfs/dbraw/zinc/13/64/94/596136494.db2.gz CWNKUXNQFSBDTA-LBPRGKRZSA-N 1 2 342.428 1.793 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000859598476 596142938 /nfs/dbraw/zinc/14/29/38/596142938.db2.gz FSYPNONVJKPUER-PMPSAXMXSA-N 1 2 346.383 1.018 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000859598476 596142939 /nfs/dbraw/zinc/14/29/39/596142939.db2.gz FSYPNONVJKPUER-PMPSAXMXSA-N 1 2 346.383 1.018 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](N3CCOC3=O)C2)C1=O ZINC000852436674 596162131 /nfs/dbraw/zinc/16/21/31/596162131.db2.gz LOCVROBMIKXOLU-QWHCGFSZSA-N 1 2 346.412 1.252 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](N3CCOC3=O)C2)C1=O ZINC000852436674 596162133 /nfs/dbraw/zinc/16/21/33/596162133.db2.gz LOCVROBMIKXOLU-QWHCGFSZSA-N 1 2 346.412 1.252 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CCOCC1 ZINC000852648177 596218840 /nfs/dbraw/zinc/21/88/40/596218840.db2.gz IDXCWCZNNGNADH-GOSISDBHSA-N 1 2 342.443 1.337 20 30 EDEDLO C#CCN(C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000864975766 596433086 /nfs/dbraw/zinc/43/30/86/596433086.db2.gz ZMAJWLKXJHUPKW-HNNXBMFYSA-N 1 2 343.408 1.339 20 30 EDEDLO N#C[C@@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCOC1 ZINC000865005132 596441459 /nfs/dbraw/zinc/44/14/59/596441459.db2.gz KWWRSLUDOSAHEX-KRWDZBQOSA-N 1 2 328.347 1.948 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2sc(C)cc2C)CC1 ZINC000865177607 596501415 /nfs/dbraw/zinc/50/14/15/596501415.db2.gz DUULRVSRPPLBBV-UHFFFAOYSA-N 1 2 333.457 1.262 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2sc(C)cc2C)CC1 ZINC000865177607 596501418 /nfs/dbraw/zinc/50/14/18/596501418.db2.gz DUULRVSRPPLBBV-UHFFFAOYSA-N 1 2 333.457 1.262 20 30 EDEDLO C#CC[C@@H]1NC(=O)N(Cc2cc[nH+]c(N3CCSCC3)c2)C1=O ZINC000865318065 596537319 /nfs/dbraw/zinc/53/73/19/596537319.db2.gz UXSVDKGQQYSKAT-ZDUSSCGKSA-N 1 2 330.413 1.079 20 30 EDEDLO C#CCCS(=O)(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000867790400 596550865 /nfs/dbraw/zinc/55/08/65/596550865.db2.gz HKHQOJNLBNROPC-QGZVFWFLSA-N 1 2 336.457 1.139 20 30 EDEDLO C#CCCS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000867790400 596550868 /nfs/dbraw/zinc/55/08/68/596550868.db2.gz HKHQOJNLBNROPC-QGZVFWFLSA-N 1 2 336.457 1.139 20 30 EDEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000863325361 596551598 /nfs/dbraw/zinc/55/15/98/596551598.db2.gz VZHSUMMPAJRPOU-CYBMUJFWSA-N 1 2 346.456 1.848 20 30 EDEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000863325361 596551600 /nfs/dbraw/zinc/55/16/00/596551600.db2.gz VZHSUMMPAJRPOU-CYBMUJFWSA-N 1 2 346.456 1.848 20 30 EDEDLO CC(C)[C@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC[N@@H+]1C ZINC000867821088 596569907 /nfs/dbraw/zinc/56/99/07/596569907.db2.gz VGPBGATXZZKXOJ-OAHLLOKOSA-N 1 2 325.409 1.658 20 30 EDEDLO CC(C)[C@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC[N@H+]1C ZINC000867821088 596569909 /nfs/dbraw/zinc/56/99/09/596569909.db2.gz VGPBGATXZZKXOJ-OAHLLOKOSA-N 1 2 325.409 1.658 20 30 EDEDLO C[C@H](C(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1)n1cnc(C#N)n1 ZINC000871421875 596577781 /nfs/dbraw/zinc/57/77/81/596577781.db2.gz WQEJWHQIILNTNY-TZMCWYRMSA-N 1 2 337.387 1.117 20 30 EDEDLO CN1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)Cc2ccc[nH+]c21 ZINC000867900067 596608375 /nfs/dbraw/zinc/60/83/75/596608375.db2.gz ZNUKWWOUCXBCPD-UHFFFAOYSA-N 1 2 346.387 1.733 20 30 EDEDLO Cc1conc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000871729317 596679295 /nfs/dbraw/zinc/67/92/95/596679295.db2.gz JZBWHEXTXQLNEG-UHFFFAOYSA-N 1 2 330.388 1.652 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000865794443 596685635 /nfs/dbraw/zinc/68/56/35/596685635.db2.gz CBNMZPNLVFBEPI-UHFFFAOYSA-N 1 2 338.205 1.000 20 30 EDEDLO C=C(Cl)C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(=O)OCC ZINC000870032120 596717973 /nfs/dbraw/zinc/71/79/73/596717973.db2.gz CZVLQWKKLRWNMR-ZFDPJTLLSA-N 1 2 330.812 1.065 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000870064050 596730864 /nfs/dbraw/zinc/73/08/64/596730864.db2.gz AXWHKPPNYJTJLH-OAHLLOKOSA-N 1 2 349.818 1.385 20 30 EDEDLO Cn1ncc(I)c1C[NH2+]C[C@H](C#N)CCC#N ZINC000871930840 596748339 /nfs/dbraw/zinc/74/83/39/596748339.db2.gz BOIVTYQUFUAPDA-VIFPVBQESA-N 1 2 343.172 1.558 20 30 EDEDLO CO[C@H]1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)Cc3ccc[nH+]c3N2C1 ZINC000866080454 596780481 /nfs/dbraw/zinc/78/04/81/596780481.db2.gz RYOBUMBMADAPCN-CABCVRRESA-N 1 2 337.383 1.531 20 30 EDEDLO O=c1ccccn1N=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872362444 596895476 /nfs/dbraw/zinc/89/54/76/596895476.db2.gz RADDAHAPTZAGQM-UHFFFAOYSA-N 1 2 327.384 1.442 20 30 EDEDLO C(=NOC[C@@H]1CCOC1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872368306 596895679 /nfs/dbraw/zinc/89/56/79/596895679.db2.gz SMBDYNBMYJCMIA-QGZVFWFLSA-N 1 2 334.416 1.785 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000872430793 596903916 /nfs/dbraw/zinc/90/39/16/596903916.db2.gz KIANWPZUDPGBMT-UHFFFAOYSA-N 1 2 342.424 1.773 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000872643391 597006003 /nfs/dbraw/zinc/00/60/03/597006003.db2.gz BYJSTFAXWSRXBH-HNNXBMFYSA-N 1 2 343.493 1.491 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000872643391 597006004 /nfs/dbraw/zinc/00/60/04/597006004.db2.gz BYJSTFAXWSRXBH-HNNXBMFYSA-N 1 2 343.493 1.491 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000875913334 597032327 /nfs/dbraw/zinc/03/23/27/597032327.db2.gz BWVWLYBIFJLDKE-ZIAGYGMSSA-N 1 2 336.436 1.207 20 30 EDEDLO N#CCCN1CC[NH+](CN2CC[C@@H](CCc3ccccc3)C2=O)CC1 ZINC000872733839 597051114 /nfs/dbraw/zinc/05/11/14/597051114.db2.gz ONJYIXLEIRSHBR-LJQANCHMSA-N 1 2 340.471 1.956 20 30 EDEDLO CC#CCN(C)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000876195437 597128678 /nfs/dbraw/zinc/12/86/78/597128678.db2.gz OLACSVVFUSDXNV-SFHVURJKSA-N 1 2 329.444 1.861 20 30 EDEDLO CC#CCN(C)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000876195437 597128681 /nfs/dbraw/zinc/12/86/81/597128681.db2.gz OLACSVVFUSDXNV-SFHVURJKSA-N 1 2 329.444 1.861 20 30 EDEDLO C=CC(C)(C)CCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000874989832 597233651 /nfs/dbraw/zinc/23/36/51/597233651.db2.gz GGILSGYGICYXEA-UHFFFAOYSA-N 1 2 339.480 1.322 20 30 EDEDLO C#CC[C@H](COC)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000874996542 597236509 /nfs/dbraw/zinc/23/65/09/597236509.db2.gz DZNBNRICAJUHSN-QZTJIDSGSA-N 1 2 345.443 1.225 20 30 EDEDLO C#CC[C@H](COC)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000874996542 597236514 /nfs/dbraw/zinc/23/65/14/597236514.db2.gz DZNBNRICAJUHSN-QZTJIDSGSA-N 1 2 345.443 1.225 20 30 EDEDLO CO[C@@H]1C[C@H]2CN(C(=O)NCC(C)(C)C#N)Cc3ccc[nH+]c3N2C1 ZINC000875479290 597445893 /nfs/dbraw/zinc/44/58/93/597445893.db2.gz YQPHLZIVCPTPLI-LSDHHAIUSA-N 1 2 343.431 1.750 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(S(N)(=O)=O)cc2)n1 ZINC000877484614 597523613 /nfs/dbraw/zinc/52/36/13/597523613.db2.gz KROCWMHPQYDKMQ-UHFFFAOYSA-N 1 2 332.429 1.186 20 30 EDEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(S(N)(=O)=O)cc2)n1 ZINC000877484614 597523614 /nfs/dbraw/zinc/52/36/14/597523614.db2.gz KROCWMHPQYDKMQ-UHFFFAOYSA-N 1 2 332.429 1.186 20 30 EDEDLO C#CC1(F)CN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000878132096 597580650 /nfs/dbraw/zinc/58/06/50/597580650.db2.gz KXMYADNRWHHAJC-UHFFFAOYSA-N 1 2 344.390 1.263 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878289891 597592897 /nfs/dbraw/zinc/59/28/97/597592897.db2.gz JATNMVZFSROREA-SJORKVTESA-N 1 2 349.456 1.051 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878289891 597592898 /nfs/dbraw/zinc/59/28/98/597592898.db2.gz JATNMVZFSROREA-SJORKVTESA-N 1 2 349.456 1.051 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCN2C(=O)CC[C@H]2C1)c1ccccc1 ZINC000878331865 597596191 /nfs/dbraw/zinc/59/61/91/597596191.db2.gz ZYVCGQWKLSWZND-PKOBYXMFSA-N 1 2 325.412 1.734 20 30 EDEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCN2C(=O)CC[C@H]2C1)c1ccccc1 ZINC000878331865 597596192 /nfs/dbraw/zinc/59/61/92/597596192.db2.gz ZYVCGQWKLSWZND-PKOBYXMFSA-N 1 2 325.412 1.734 20 30 EDEDLO N#Cc1cc(F)ccc1N1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000879590088 597647674 /nfs/dbraw/zinc/64/76/74/597647674.db2.gz PTCCODFLVQFPKE-HDICACEKSA-N 1 2 344.434 1.683 20 30 EDEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000879226901 597857786 /nfs/dbraw/zinc/85/77/86/597857786.db2.gz UYCBHMKLXDOIPH-CHWSQXEVSA-N 1 2 336.436 1.536 20 30 EDEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000879226901 597857788 /nfs/dbraw/zinc/85/77/88/597857788.db2.gz UYCBHMKLXDOIPH-CHWSQXEVSA-N 1 2 336.436 1.536 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H](CF)C1 ZINC000880297990 597894810 /nfs/dbraw/zinc/89/48/10/597894810.db2.gz WOOQVRKMIHNVQE-ZDUSSCGKSA-N 1 2 327.363 1.974 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000880297990 597894812 /nfs/dbraw/zinc/89/48/12/597894812.db2.gz WOOQVRKMIHNVQE-ZDUSSCGKSA-N 1 2 327.363 1.974 20 30 EDEDLO C#CCC1(O)CC[NH+](CC(=O)N2CCSc3ccccc32)CC1 ZINC000880477290 597941340 /nfs/dbraw/zinc/94/13/40/597941340.db2.gz DZMRGWIRNSTENM-UHFFFAOYSA-N 1 2 330.453 1.976 20 30 EDEDLO C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC000880482184 597942417 /nfs/dbraw/zinc/94/24/17/597942417.db2.gz ZUILZHRRANEONV-LLVKDONJSA-N 1 2 335.429 1.024 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1C(F)(F)F ZINC000884068095 597984973 /nfs/dbraw/zinc/98/49/73/597984973.db2.gz CNTIKWPNBLSPEV-LBPRGKRZSA-N 1 2 330.306 1.768 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(Cl)cc1COC ZINC000884427763 598102257 /nfs/dbraw/zinc/10/22/57/598102257.db2.gz IDWVLWUAVHYRCK-LBPRGKRZSA-N 1 2 326.780 1.872 20 30 EDEDLO C=CCn1cc(C(=O)NC2C[NH+](Cc3ccc(C)c(C)c3)C2)nn1 ZINC001031070045 695460942 /nfs/dbraw/zinc/46/09/42/695460942.db2.gz MFIOASWCBISIFP-UHFFFAOYSA-N 1 2 325.416 1.695 20 30 EDEDLO Cc1nc(N[C@@H]2CC[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@H]23)cc[nH+]1 ZINC001060516739 695690400 /nfs/dbraw/zinc/69/04/00/695690400.db2.gz CLHXIORFIQVDQN-UHOFOFEASA-N 1 2 336.399 1.948 20 30 EDEDLO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)nn1C ZINC000993165526 695711034 /nfs/dbraw/zinc/71/10/34/695711034.db2.gz AQVGIEQYSQSXTA-CZUORRHYSA-N 1 2 340.431 1.711 20 30 EDEDLO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)[C@H]2C)nn1C ZINC000993165526 695711037 /nfs/dbraw/zinc/71/10/37/695711037.db2.gz AQVGIEQYSQSXTA-CZUORRHYSA-N 1 2 340.431 1.711 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)nc1 ZINC001060558074 695995287 /nfs/dbraw/zinc/99/52/87/695995287.db2.gz VKUNYQKKQIBRFA-NUEKZKHPSA-N 1 2 336.399 1.568 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(CCOC)nn2)[C@H]1C ZINC000993346239 695998694 /nfs/dbraw/zinc/99/86/94/695998694.db2.gz ILLSXSVQVAIAGH-OLZOCXBDSA-N 1 2 341.843 1.260 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(CCOC)nn2)[C@H]1C ZINC000993346239 695998695 /nfs/dbraw/zinc/99/86/95/695998695.db2.gz ILLSXSVQVAIAGH-OLZOCXBDSA-N 1 2 341.843 1.260 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCc3ccc(OC)cc3)C2)nc1 ZINC001031279115 696109485 /nfs/dbraw/zinc/10/94/85/696109485.db2.gz NTYJJOLAOLJSOV-UHFFFAOYSA-N 1 2 335.407 1.728 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000993502583 696181993 /nfs/dbraw/zinc/18/19/93/696181993.db2.gz QLRZOBJHBDDEQS-SCLBCKFNSA-N 1 2 330.432 1.471 20 30 EDEDLO C=C1CCC(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NC(=O)CC)C2)CC1 ZINC000993634732 696269999 /nfs/dbraw/zinc/26/99/99/696269999.db2.gz CIWJCUGTTMHBEJ-HZPDHXFCSA-N 1 2 344.459 1.987 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)[C@H]2C)cc1 ZINC000993665394 696295686 /nfs/dbraw/zinc/29/56/86/696295686.db2.gz GQZFWTYNJKTJDK-KBXCAEBGSA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)[C@H]2C)cc1 ZINC000993665394 696295688 /nfs/dbraw/zinc/29/56/88/696295688.db2.gz GQZFWTYNJKTJDK-KBXCAEBGSA-N 1 2 337.427 1.579 20 30 EDEDLO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000993738617 696340797 /nfs/dbraw/zinc/34/07/97/696340797.db2.gz BVICWRBVILYFSM-SWLSCSKDSA-N 1 2 333.819 1.146 20 30 EDEDLO C[C@H]1[C@H](NC(=O)C(N)=O)CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000993738617 696340799 /nfs/dbraw/zinc/34/07/99/696340799.db2.gz BVICWRBVILYFSM-SWLSCSKDSA-N 1 2 333.819 1.146 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H]1C ZINC000993991459 696484724 /nfs/dbraw/zinc/48/47/24/696484724.db2.gz UMFYALKLQFFRLC-LSDHHAIUSA-N 1 2 343.899 1.819 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H]1C ZINC000993991459 696484726 /nfs/dbraw/zinc/48/47/26/696484726.db2.gz UMFYALKLQFFRLC-LSDHHAIUSA-N 1 2 343.899 1.819 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2cnon2)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000994035330 696501186 /nfs/dbraw/zinc/50/11/86/696501186.db2.gz FAVBXMCVPNJVOL-XJKSGUPXSA-N 1 2 342.374 1.843 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2cnon2)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000994035330 696501187 /nfs/dbraw/zinc/50/11/87/696501187.db2.gz FAVBXMCVPNJVOL-XJKSGUPXSA-N 1 2 342.374 1.843 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C)C1 ZINC000939996601 700092618 /nfs/dbraw/zinc/09/26/18/700092618.db2.gz XRATUYXZERSBJB-SQWLQELKSA-N 1 2 344.459 1.908 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C)C1 ZINC000939996601 700092620 /nfs/dbraw/zinc/09/26/20/700092620.db2.gz XRATUYXZERSBJB-SQWLQELKSA-N 1 2 344.459 1.908 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(Cc2cc(C#N)ccc2F)C1 ZINC001031313177 696641402 /nfs/dbraw/zinc/64/14/02/696641402.db2.gz CSOGISULQURKPV-UHFFFAOYSA-N 1 2 327.363 1.272 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H]1C ZINC000994518836 696999266 /nfs/dbraw/zinc/99/92/66/696999266.db2.gz MOVMMUDMRZBESE-DGCLKSJQSA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H]1C ZINC000994518836 696999268 /nfs/dbraw/zinc/99/92/68/696999268.db2.gz MOVMMUDMRZBESE-DGCLKSJQSA-N 1 2 336.823 1.516 20 30 EDEDLO CC(C)(C#N)CS(=O)(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000918521593 697177122 /nfs/dbraw/zinc/17/71/22/697177122.db2.gz MPHFMCYRDNCBES-UHFFFAOYSA-N 1 2 333.457 1.684 20 30 EDEDLO N#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccc(Cl)nc3)C2)[nH]1 ZINC001031619138 697336010 /nfs/dbraw/zinc/33/60/10/697336010.db2.gz LKSNFGZDBCSRRW-UHFFFAOYSA-N 1 2 329.791 1.797 20 30 EDEDLO CCn1nncc1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031655019 697421158 /nfs/dbraw/zinc/42/11/58/697421158.db2.gz RPVWMMHAORMGPU-UHFFFAOYSA-N 1 2 342.378 1.171 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cn3c(n2)CCC3)C1 ZINC001031680351 697501937 /nfs/dbraw/zinc/50/19/37/697501937.db2.gz APMVOGHWWGKPJQ-UHFFFAOYSA-N 1 2 335.411 1.563 20 30 EDEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000921093130 697513261 /nfs/dbraw/zinc/51/32/61/697513261.db2.gz KVRJFXUTXHUFPA-UHFFFAOYSA-N 1 2 336.442 1.555 20 30 EDEDLO C=CCO[C@H](C)C(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060751050 697787374 /nfs/dbraw/zinc/78/73/74/697787374.db2.gz BFICWMUPZQJYAR-BZUAXINKSA-N 1 2 348.447 1.265 20 30 EDEDLO CCn1nnc(C)c1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031727433 697955372 /nfs/dbraw/zinc/95/53/72/697955372.db2.gz GOUCSEHEZKMQFG-UHFFFAOYSA-N 1 2 338.415 1.340 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)C1 ZINC000945410764 700224317 /nfs/dbraw/zinc/22/43/17/700224317.db2.gz DJZKWSAKHHSRJC-ZBFHGGJFSA-N 1 2 344.459 1.672 20 30 EDEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccon3)C[C@H]2C)nn1 ZINC000943498448 698443909 /nfs/dbraw/zinc/44/39/09/698443909.db2.gz PSLBNIJJQOZWMB-HIFRSBDPSA-N 1 2 344.419 1.483 20 30 EDEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccon3)C[C@H]2C)nn1 ZINC000943498448 698443910 /nfs/dbraw/zinc/44/39/10/698443910.db2.gz PSLBNIJJQOZWMB-HIFRSBDPSA-N 1 2 344.419 1.483 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@@H](C)C1 ZINC000943548409 698492877 /nfs/dbraw/zinc/49/28/77/698492877.db2.gz NICCOVIHKGONBP-GXSJLCMTSA-N 1 2 342.241 1.164 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)[C@@H](C)C1 ZINC000943548409 698492879 /nfs/dbraw/zinc/49/28/79/698492879.db2.gz NICCOVIHKGONBP-GXSJLCMTSA-N 1 2 342.241 1.164 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068444829 698600247 /nfs/dbraw/zinc/60/02/47/698600247.db2.gz DPMDYHMAYKDQHA-UHFFFAOYSA-N 1 2 333.413 1.854 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@@H](C)C1 ZINC000943717776 698735146 /nfs/dbraw/zinc/73/51/46/698735146.db2.gz PUOKHYFNIHBTAX-CMPLNLGQSA-N 1 2 339.237 1.825 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2ccncn2)[C@@H](C)C1 ZINC000943717776 698735148 /nfs/dbraw/zinc/73/51/48/698735148.db2.gz PUOKHYFNIHBTAX-CMPLNLGQSA-N 1 2 339.237 1.825 20 30 EDEDLO COC1CC(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC001031754303 698977852 /nfs/dbraw/zinc/97/78/52/698977852.db2.gz WLNLXBVJBUUGKU-UHFFFAOYSA-N 1 2 331.391 1.670 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@]34CCO[C@@H]3CCCC4)CC2)C1 ZINC000941483989 701554572 /nfs/dbraw/zinc/55/45/72/701554572.db2.gz LWWVJDZSMUGNIU-QUCCMNQESA-N 1 2 345.487 1.187 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc[nH]c3C3CC3)CC2)C1 ZINC000941537772 701569517 /nfs/dbraw/zinc/56/95/17/701569517.db2.gz ONKAINBNIKOURG-UHFFFAOYSA-N 1 2 326.444 1.357 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3nc(Cl)cs3)CC2)C1 ZINC000941534348 701573829 /nfs/dbraw/zinc/57/38/29/701573829.db2.gz VWBPLHRVBLBAAR-UHFFFAOYSA-N 1 2 338.864 1.262 20 30 EDEDLO CO[C@H]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001031790953 699245695 /nfs/dbraw/zinc/24/56/95/699245695.db2.gz FYIGFJQKKJUSCH-QAPCUYQASA-N 1 2 327.428 1.921 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](F)c3ccccc3)CC2)C1 ZINC000941587662 701591277 /nfs/dbraw/zinc/59/12/77/701591277.db2.gz UGBZPVXUQTWLTR-SFHVURJKSA-N 1 2 329.419 1.549 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C)c3)CC2)C1 ZINC000941603308 701593434 /nfs/dbraw/zinc/59/34/34/701593434.db2.gz IDJYPIWYLUBHTR-VQTJNVASSA-N 1 2 337.467 1.560 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3ccccc3F)CC2)C1 ZINC000941611282 701596066 /nfs/dbraw/zinc/59/60/66/701596066.db2.gz VNWZCYCMLPDVGP-MRXNPFEDSA-N 1 2 343.446 1.781 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc([C@@H](C)CC)no3)CC2)C1 ZINC000941596862 701598392 /nfs/dbraw/zinc/59/83/92/701598392.db2.gz RAGURHIFDXRDQE-HNNXBMFYSA-N 1 2 344.459 1.653 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3cccnc3)CC2)C1 ZINC000941640767 701600509 /nfs/dbraw/zinc/60/05/09/701600509.db2.gz ANWYCZLCZNAGKD-MRXNPFEDSA-N 1 2 326.444 1.037 20 30 EDEDLO CCc1nnsc1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031823027 699614193 /nfs/dbraw/zinc/61/41/93/699614193.db2.gz JHMWENLAKWBRLI-UHFFFAOYSA-N 1 2 341.440 1.834 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnsn3)C2)nc1 ZINC000939556470 699691423 /nfs/dbraw/zinc/69/14/23/699691423.db2.gz SAMXZMIDRVMFRB-IAQYHMDHSA-N 1 2 327.413 1.165 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3OCc4ccccc43)CC2)C1 ZINC000941655286 701606164 /nfs/dbraw/zinc/60/61/64/701606164.db2.gz UFCFQZAGQJCZDN-LJQANCHMSA-N 1 2 339.439 1.110 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(CC)o3)C2)nc1 ZINC000939554595 699704464 /nfs/dbraw/zinc/70/44/64/699704464.db2.gz ISCBXQPACCBWAH-IUODEOHRSA-N 1 2 339.399 1.259 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000945437390 700288433 /nfs/dbraw/zinc/28/84/33/700288433.db2.gz HXPIRFBPFROQQQ-ZBFHGGJFSA-N 1 2 346.475 1.918 20 30 EDEDLO Cc1nccc(C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)n1 ZINC001032193960 701632948 /nfs/dbraw/zinc/63/29/48/701632948.db2.gz KSHZBOQDZIROHX-UHFFFAOYSA-N 1 2 338.386 1.637 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3Oc4ccccc4[C@H]3C)CC2)C1 ZINC000941687985 701633203 /nfs/dbraw/zinc/63/32/03/701633203.db2.gz VNCDPSMTZUKWMK-DNVCBOLYSA-N 1 2 339.439 1.013 20 30 EDEDLO COCc1nocc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001032122239 701655020 /nfs/dbraw/zinc/65/50/20/701655020.db2.gz DNOPHKPPAMNTDQ-UHFFFAOYSA-N 1 2 346.412 1.616 20 30 EDEDLO CC1(C)C[N@H+](Cc2cnns2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940692631 700834534 /nfs/dbraw/zinc/83/45/34/700834534.db2.gz BMRYPDPORYZSOW-CQSZACIVSA-N 1 2 344.444 1.768 20 30 EDEDLO CC1(C)C[N@@H+](Cc2cnns2)CC[C@H]1NC(=O)c1c[nH]c(C#N)c1 ZINC000940692631 700834537 /nfs/dbraw/zinc/83/45/37/700834537.db2.gz BMRYPDPORYZSOW-CQSZACIVSA-N 1 2 344.444 1.768 20 30 EDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873428 700970304 /nfs/dbraw/zinc/97/03/04/700970304.db2.gz NPIUDDKBGWXPMO-CABCVRRESA-N 1 2 340.489 1.051 20 30 EDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCS(=O)(=O)C2)C(C)(C)C1 ZINC000940873428 700970305 /nfs/dbraw/zinc/97/03/05/700970305.db2.gz NPIUDDKBGWXPMO-CABCVRRESA-N 1 2 340.489 1.051 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000940918166 700995574 /nfs/dbraw/zinc/99/55/74/700995574.db2.gz MPCFAQUYIWOIBE-IRXDYDNUSA-N 1 2 348.491 1.228 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000940918166 700995575 /nfs/dbraw/zinc/99/55/75/700995575.db2.gz MPCFAQUYIWOIBE-IRXDYDNUSA-N 1 2 348.491 1.228 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H]2[C@H](CCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000945940371 701299651 /nfs/dbraw/zinc/29/96/51/701299651.db2.gz BVJQLFFHSLYNGJ-NVXWUHKLSA-N 1 2 340.427 1.205 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H]2[C@H](CCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000945940371 701299653 /nfs/dbraw/zinc/29/96/53/701299653.db2.gz BVJQLFFHSLYNGJ-NVXWUHKLSA-N 1 2 340.427 1.205 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)nc1 ZINC000941173392 701371324 /nfs/dbraw/zinc/37/13/24/701371324.db2.gz ZAIRSVDIHPMSDD-INIZCTEOSA-N 1 2 339.399 1.476 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)CC2(C)C)nc1 ZINC000941173392 701371325 /nfs/dbraw/zinc/37/13/25/701371325.db2.gz ZAIRSVDIHPMSDD-INIZCTEOSA-N 1 2 339.399 1.476 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000941275783 701447916 /nfs/dbraw/zinc/44/79/16/701447916.db2.gz GOJQVUYEJYBVPV-CQSZACIVSA-N 1 2 331.416 1.562 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)cn1 ZINC001032136852 701900968 /nfs/dbraw/zinc/90/09/68/701900968.db2.gz JDPYDPDMAJMNSK-UHFFFAOYSA-N 1 2 348.381 1.935 20 30 EDEDLO CCn1ncnc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](C)C1 ZINC000941961933 702245713 /nfs/dbraw/zinc/24/57/13/702245713.db2.gz BIKNLWPOVUYQTC-SWLSCSKDSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncnc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H](C)C1 ZINC000941961933 702245716 /nfs/dbraw/zinc/24/57/16/702245716.db2.gz BIKNLWPOVUYQTC-SWLSCSKDSA-N 1 2 341.419 1.138 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC000942216170 702730912 /nfs/dbraw/zinc/73/09/12/702730912.db2.gz KLSXHCSHJMPRGV-SCZZXKLOSA-N 1 2 328.214 1.154 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC000942216170 702730913 /nfs/dbraw/zinc/73/09/13/702730913.db2.gz KLSXHCSHJMPRGV-SCZZXKLOSA-N 1 2 328.214 1.154 20 30 EDEDLO CCn1ccc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC001032028105 703060037 /nfs/dbraw/zinc/06/00/37/703060037.db2.gz FPKZSJXKIWESRY-UHFFFAOYSA-N 1 2 341.390 1.776 20 30 EDEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C#N)c[nH]2)o1 ZINC001032337687 703152494 /nfs/dbraw/zinc/15/24/94/703152494.db2.gz FYEJWVZESHMYCZ-KBPBESRZSA-N 1 2 325.372 1.590 20 30 EDEDLO Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C#N)c[nH]2)o1 ZINC001032337687 703152495 /nfs/dbraw/zinc/15/24/95/703152495.db2.gz FYEJWVZESHMYCZ-KBPBESRZSA-N 1 2 325.372 1.590 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)Cc3c[nH+]ccc3OC)C2)C1 ZINC000999261433 706738560 /nfs/dbraw/zinc/73/85/60/706738560.db2.gz DROZUUACWSBJPP-UHFFFAOYSA-N 1 2 329.400 1.316 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001032410363 703440161 /nfs/dbraw/zinc/44/01/61/703440161.db2.gz YRHSSUCTQGQZLR-FJIDUMEYSA-N 1 2 327.428 1.848 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001032410363 703440163 /nfs/dbraw/zinc/44/01/63/703440163.db2.gz YRHSSUCTQGQZLR-FJIDUMEYSA-N 1 2 327.428 1.848 20 30 EDEDLO Cc1c(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#Cc2ccccc2)cnn1C ZINC001032438881 703608395 /nfs/dbraw/zinc/60/83/95/703608395.db2.gz PBYMAOYUESPQNS-PMACEKPBSA-N 1 2 348.450 1.608 20 30 EDEDLO Cc1c(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC#Cc2ccccc2)cnn1C ZINC001032438881 703608397 /nfs/dbraw/zinc/60/83/97/703608397.db2.gz PBYMAOYUESPQNS-PMACEKPBSA-N 1 2 348.450 1.608 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(OC)c(C)c1 ZINC001032443949 703620878 /nfs/dbraw/zinc/62/08/78/703620878.db2.gz GIQNYOVPUITBOT-HOTGVXAUSA-N 1 2 328.412 1.691 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COc1ccc(OC)c(C)c1 ZINC001032443949 703620880 /nfs/dbraw/zinc/62/08/80/703620880.db2.gz GIQNYOVPUITBOT-HOTGVXAUSA-N 1 2 328.412 1.691 20 30 EDEDLO COC1CC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001032465280 703647332 /nfs/dbraw/zinc/64/73/32/703647332.db2.gz WFJVTGZKFZFUBB-SAGYGOJTSA-N 1 2 325.412 1.768 20 30 EDEDLO COC1CC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001032465280 703647333 /nfs/dbraw/zinc/64/73/33/703647333.db2.gz WFJVTGZKFZFUBB-SAGYGOJTSA-N 1 2 325.412 1.768 20 30 EDEDLO N#Cc1cnc(NC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)c(F)c1 ZINC001060863187 703768441 /nfs/dbraw/zinc/76/84/41/703768441.db2.gz GJZHGYOGMKQTLZ-GFCCVEGCSA-N 1 2 342.378 1.709 20 30 EDEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000997549685 703814803 /nfs/dbraw/zinc/81/48/03/703814803.db2.gz MOMHNXRBKYKZSH-LBPRGKRZSA-N 1 2 341.419 1.045 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC001032528420 704017988 /nfs/dbraw/zinc/01/79/88/704017988.db2.gz RLWRUAQPTLEIBR-FLIUJYPFSA-N 1 2 349.434 1.767 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC001032528420 704017991 /nfs/dbraw/zinc/01/79/91/704017991.db2.gz RLWRUAQPTLEIBR-FLIUJYPFSA-N 1 2 349.434 1.767 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nc(C(C)C)[nH]c1=O ZINC001032554570 704712444 /nfs/dbraw/zinc/71/24/44/704712444.db2.gz CZPMIMKXCFMSEH-KBPBESRZSA-N 1 2 328.416 1.536 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nc(C(C)C)[nH]c1=O ZINC001032554570 704712445 /nfs/dbraw/zinc/71/24/45/704712445.db2.gz CZPMIMKXCFMSEH-KBPBESRZSA-N 1 2 328.416 1.536 20 30 EDEDLO CCc1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)nn1C ZINC001032228467 704899736 /nfs/dbraw/zinc/89/97/36/704899736.db2.gz LEGSQEYPSXMJRU-UHFFFAOYSA-N 1 2 337.427 1.716 20 30 EDEDLO CCn1nc(C)c(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)n1 ZINC001032229721 704970120 /nfs/dbraw/zinc/97/01/20/704970120.db2.gz HBBALDZUYUNOLZ-UHFFFAOYSA-N 1 2 337.427 1.320 20 30 EDEDLO N#CCN[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C(F)(F)F ZINC000998267203 705640694 /nfs/dbraw/zinc/64/06/94/705640694.db2.gz LWKYVBJXMWUPFI-VXGBXAGGSA-N 1 2 329.326 1.235 20 30 EDEDLO N#CCN[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC000998267203 705640698 /nfs/dbraw/zinc/64/06/98/705640698.db2.gz LWKYVBJXMWUPFI-VXGBXAGGSA-N 1 2 329.326 1.235 20 30 EDEDLO CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H]2CN(CC#N)C[C@H]2CC1 ZINC000946696792 707143175 /nfs/dbraw/zinc/14/31/75/707143175.db2.gz BYBLXPQJPLNNSM-KSZLIROESA-N 1 2 348.491 1.181 20 30 EDEDLO CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H]2CN(CC#N)C[C@H]2CC1 ZINC000946696792 707143176 /nfs/dbraw/zinc/14/31/76/707143176.db2.gz BYBLXPQJPLNNSM-KSZLIROESA-N 1 2 348.491 1.181 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033329742 707543787 /nfs/dbraw/zinc/54/37/87/707543787.db2.gz AKYDYMRDBOLKPY-NDBYEHHHSA-N 1 2 329.238 1.320 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033329742 707543789 /nfs/dbraw/zinc/54/37/89/707543789.db2.gz AKYDYMRDBOLKPY-NDBYEHHHSA-N 1 2 329.238 1.320 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001061591163 707605439 /nfs/dbraw/zinc/60/54/39/707605439.db2.gz CGIBZVYGRPPKFK-HZPDHXFCSA-N 1 2 348.447 1.534 20 30 EDEDLO Cc1nsc(NC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)c1C#N ZINC001060894374 707641934 /nfs/dbraw/zinc/64/19/34/707641934.db2.gz KPMGMBJJDVXZHH-GFCCVEGCSA-N 1 2 344.444 1.560 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001033223729 707818254 /nfs/dbraw/zinc/81/82/54/707818254.db2.gz ZSMNCJIXKQGKNL-OAHLLOKOSA-N 1 2 343.818 1.656 20 30 EDEDLO CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001033223729 707818256 /nfs/dbraw/zinc/81/82/56/707818256.db2.gz ZSMNCJIXKQGKNL-OAHLLOKOSA-N 1 2 343.818 1.656 20 30 EDEDLO C[C@H](CC(=O)N1CC[C@H](CNc2cncc(C#N)n2)C1)n1cc[nH+]c1 ZINC001061001295 708138451 /nfs/dbraw/zinc/13/84/51/708138451.db2.gz JUAJREGYGUFPJB-ZIAGYGMSSA-N 1 2 339.403 1.456 20 30 EDEDLO CN(C(=O)c1cnon1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033526328 708142570 /nfs/dbraw/zinc/14/25/70/708142570.db2.gz LRHOVVHIWYBKCY-OAHLLOKOSA-N 1 2 328.347 1.407 20 30 EDEDLO CN(C(=O)c1cnon1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033526328 708142572 /nfs/dbraw/zinc/14/25/72/708142572.db2.gz LRHOVVHIWYBKCY-OAHLLOKOSA-N 1 2 328.347 1.407 20 30 EDEDLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1CN2CC#Cc1ccc(F)cc1 ZINC001032815442 708155700 /nfs/dbraw/zinc/15/57/00/708155700.db2.gz ZPXFQLYLSGZMRL-ROUUACIJSA-N 1 2 338.386 1.359 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001033576696 708252004 /nfs/dbraw/zinc/25/20/04/708252004.db2.gz JRYZIKPGRDHYFX-NSHDSACASA-N 1 2 335.795 1.334 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccn3c(=O)[nH]nc23)C1 ZINC001033576696 708252005 /nfs/dbraw/zinc/25/20/05/708252005.db2.gz JRYZIKPGRDHYFX-NSHDSACASA-N 1 2 335.795 1.334 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cncc(F)c3)C2)nc1 ZINC001033595008 708298056 /nfs/dbraw/zinc/29/80/56/708298056.db2.gz YXPZTPWHJJKOMY-KRWDZBQOSA-N 1 2 338.386 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cncc(F)c3)C2)nc1 ZINC001033595008 708298058 /nfs/dbraw/zinc/29/80/58/708298058.db2.gz YXPZTPWHJJKOMY-KRWDZBQOSA-N 1 2 338.386 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cncc(F)c3)C2)cn1 ZINC001033598240 708305724 /nfs/dbraw/zinc/30/57/24/708305724.db2.gz HPZHIXYCNYDPTE-SFHVURJKSA-N 1 2 338.386 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cncc(F)c3)C2)cn1 ZINC001033598240 708305727 /nfs/dbraw/zinc/30/57/27/708305727.db2.gz HPZHIXYCNYDPTE-SFHVURJKSA-N 1 2 338.386 1.944 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](C)[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001005300624 708588239 /nfs/dbraw/zinc/58/82/39/708588239.db2.gz CKHITUMKPFAQDA-ZFWWWQNUSA-N 1 2 330.432 1.662 20 30 EDEDLO C=CCCCC(=O)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001061112155 709197516 /nfs/dbraw/zinc/19/75/16/709197516.db2.gz XCXVNYSCILMTQO-UHFFFAOYSA-N 1 2 330.432 1.690 20 30 EDEDLO CCN(C(=O)c1nonc1C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001034053840 709283575 /nfs/dbraw/zinc/28/35/75/709283575.db2.gz CCFKCXAMNFNPMQ-MRXNPFEDSA-N 1 2 339.399 1.986 20 30 EDEDLO CCN(C(=O)c1nonc1C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001034053840 709283578 /nfs/dbraw/zinc/28/35/78/709283578.db2.gz CCFKCXAMNFNPMQ-MRXNPFEDSA-N 1 2 339.399 1.986 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)C2)nn1 ZINC001061136052 709344202 /nfs/dbraw/zinc/34/42/02/709344202.db2.gz KFTAQBXVYXYEAQ-KGLIPLIRSA-N 1 2 341.419 1.716 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001002767654 709365554 /nfs/dbraw/zinc/36/55/54/709365554.db2.gz ZIWUVJOZVHFBSY-AWEZNQCLSA-N 1 2 330.432 1.232 20 30 EDEDLO CCn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001034171372 709485099 /nfs/dbraw/zinc/48/50/99/709485099.db2.gz OKRYNGOOGCWXBE-OAHLLOKOSA-N 1 2 340.431 1.887 20 30 EDEDLO CCn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001034171372 709485102 /nfs/dbraw/zinc/48/51/02/709485102.db2.gz OKRYNGOOGCWXBE-OAHLLOKOSA-N 1 2 340.431 1.887 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2csc(=O)[nH]2)CC1 ZINC001003471898 710362144 /nfs/dbraw/zinc/36/21/44/710362144.db2.gz MDBVZTPRCMUPPN-UHFFFAOYSA-N 1 2 346.250 1.952 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC(NC(=O)c3[nH]ncc3F)CC2)cc1 ZINC001003576072 710426998 /nfs/dbraw/zinc/42/69/98/710426998.db2.gz QEFUQTHXUDGIJR-UHFFFAOYSA-N 1 2 327.363 1.815 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC001003656004 710474120 /nfs/dbraw/zinc/47/41/20/710474120.db2.gz RDVHKEIOVMAHAD-DFBGVHRSSA-N 1 2 334.420 1.611 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(NC(=O)c2cnn3cc(C)cnc23)CC1 ZINC001003724473 710509811 /nfs/dbraw/zinc/50/98/11/710509811.db2.gz UHBLQJXKCCIRTL-UHFFFAOYSA-N 1 2 333.823 1.984 20 30 EDEDLO C#Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cc[nH+]c2)C3)cc1 ZINC001003753520 710535916 /nfs/dbraw/zinc/53/59/16/710535916.db2.gz OYQAAYJKAKINIA-KURKYZTESA-N 1 2 348.406 1.426 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ncccn2)CC1 ZINC001003832394 710620554 /nfs/dbraw/zinc/62/05/54/710620554.db2.gz XMCWMPZSQCTPGX-UHFFFAOYSA-N 1 2 325.210 1.579 20 30 EDEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032944395 710920199 /nfs/dbraw/zinc/92/01/99/710920199.db2.gz XLLSCAOTQNEVDZ-PBHICJAKSA-N 1 2 331.391 1.767 20 30 EDEDLO CN(C(=O)[C@@H]1CCOC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001032944395 710920204 /nfs/dbraw/zinc/92/02/04/710920204.db2.gz XLLSCAOTQNEVDZ-PBHICJAKSA-N 1 2 331.391 1.767 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](N(C)C(=O)c3cnc(C)s3)C2)C1=O ZINC001032953707 710935109 /nfs/dbraw/zinc/93/51/09/710935109.db2.gz ZZAMCNBBPGKKMW-KBPBESRZSA-N 1 2 348.472 1.385 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](N(C)C(=O)c3cnc(C)s3)C2)C1=O ZINC001032953707 710935112 /nfs/dbraw/zinc/93/51/12/710935112.db2.gz ZZAMCNBBPGKKMW-KBPBESRZSA-N 1 2 348.472 1.385 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2cc(C)on2)C1 ZINC001032969689 711048512 /nfs/dbraw/zinc/04/85/12/711048512.db2.gz YVSXLUPNAUILQC-CYBMUJFWSA-N 1 2 342.237 1.967 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cc(C)on2)C1 ZINC001032969689 711048516 /nfs/dbraw/zinc/04/85/16/711048516.db2.gz YVSXLUPNAUILQC-CYBMUJFWSA-N 1 2 342.237 1.967 20 30 EDEDLO Cn1ncc(C[NH2+]Cc2ccc(CNC(=O)c3ccc(C#N)[nH]3)cc2)n1 ZINC001034814181 711190337 /nfs/dbraw/zinc/19/03/37/711190337.db2.gz VQGKLQLKJZDYCG-UHFFFAOYSA-N 1 2 349.398 1.235 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)cn1 ZINC001004002701 711240699 /nfs/dbraw/zinc/24/06/99/711240699.db2.gz UXGKVMUBETYWSW-UHFFFAOYSA-N 1 2 349.438 1.600 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001004056021 711382103 /nfs/dbraw/zinc/38/21/03/711382103.db2.gz MIYZMEBMAIPMHX-UHFFFAOYSA-N 1 2 336.439 1.725 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1 ZINC001004544563 711955537 /nfs/dbraw/zinc/95/55/37/711955537.db2.gz VFUMJUCNQRDKQL-HOTGVXAUSA-N 1 2 332.448 1.272 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCC(=O)N2)CC1 ZINC001004544563 711955538 /nfs/dbraw/zinc/95/55/38/711955538.db2.gz VFUMJUCNQRDKQL-HOTGVXAUSA-N 1 2 332.448 1.272 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)COC2CCOCC2)CC1 ZINC001004571087 711994207 /nfs/dbraw/zinc/99/42/07/711994207.db2.gz WRVBHIFUEDRPLO-QGZVFWFLSA-N 1 2 335.448 1.409 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)COC2CCOCC2)CC1 ZINC001004571087 711994209 /nfs/dbraw/zinc/99/42/09/711994209.db2.gz WRVBHIFUEDRPLO-QGZVFWFLSA-N 1 2 335.448 1.409 20 30 EDEDLO C[C@H](CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)N1CCCC1=O ZINC001004596734 712037845 /nfs/dbraw/zinc/03/78/45/712037845.db2.gz OIUINTQPTWZIQP-WBVHZDCISA-N 1 2 346.475 1.614 20 30 EDEDLO C[C@H](CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)N1CCCC1=O ZINC001004596734 712037846 /nfs/dbraw/zinc/03/78/46/712037846.db2.gz OIUINTQPTWZIQP-WBVHZDCISA-N 1 2 346.475 1.614 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC001004609355 712062856 /nfs/dbraw/zinc/06/28/56/712062856.db2.gz GJHDHKQJRODDSA-KRWDZBQOSA-N 1 2 346.475 1.616 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCCCC2=O)CC1 ZINC001004609355 712062859 /nfs/dbraw/zinc/06/28/59/712062859.db2.gz GJHDHKQJRODDSA-KRWDZBQOSA-N 1 2 346.475 1.616 20 30 EDEDLO CN1C[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CCC1=O ZINC001004619915 712081013 /nfs/dbraw/zinc/08/10/13/712081013.db2.gz NOSVAWDJWGAWHK-CVEARBPZSA-N 1 2 332.448 1.081 20 30 EDEDLO CN1C[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CCC1=O ZINC001004619915 712081014 /nfs/dbraw/zinc/08/10/14/712081014.db2.gz NOSVAWDJWGAWHK-CVEARBPZSA-N 1 2 332.448 1.081 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001033173829 712337759 /nfs/dbraw/zinc/33/77/59/712337759.db2.gz FJLDGDFCBIGPNN-SNVBAGLBSA-N 1 2 341.209 1.237 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001033173829 712337761 /nfs/dbraw/zinc/33/77/61/712337761.db2.gz FJLDGDFCBIGPNN-SNVBAGLBSA-N 1 2 341.209 1.237 20 30 EDEDLO O=C(CN1CC[C@H]([NH+]2CCOCC2)C1)Nc1nc2c(s1)CCC2 ZINC000329665045 539454684 /nfs/dbraw/zinc/45/46/84/539454684.db2.gz PUKTXSSZKWMUSB-LBPRGKRZSA-N 1 2 336.461 1.626 20 30 EDEDLO O=C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)Nc1nc2c(s1)CCC2 ZINC000329665045 539454689 /nfs/dbraw/zinc/45/46/89/539454689.db2.gz PUKTXSSZKWMUSB-LBPRGKRZSA-N 1 2 336.461 1.626 20 30 EDEDLO O=C(C[N@H+]1CC[C@H](N2CCOCC2)C1)Nc1nc2c(s1)CCC2 ZINC000329665045 539454696 /nfs/dbraw/zinc/45/46/96/539454696.db2.gz PUKTXSSZKWMUSB-LBPRGKRZSA-N 1 2 336.461 1.626 20 30 EDEDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C)nn(C)c2C)C[C@@]2(CCOC2)O1 ZINC000330088599 539495221 /nfs/dbraw/zinc/49/52/21/539495221.db2.gz UYMAQCMVOMYJRX-WMLDXEAASA-N 1 2 336.436 1.895 20 30 EDEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C)nn(C)c2C)C[C@@]2(CCOC2)O1 ZINC000330088599 539495222 /nfs/dbraw/zinc/49/52/22/539495222.db2.gz UYMAQCMVOMYJRX-WMLDXEAASA-N 1 2 336.436 1.895 20 30 EDEDLO 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/nfs/dbraw/zinc/13/15/16/149131516.db2.gz VTLHEPHOJQKIKT-QGZVFWFLSA-N 1 2 340.427 1.880 20 30 EDEDLO N#Cc1csc(CN[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000352835310 149185552 /nfs/dbraw/zinc/18/55/52/149185552.db2.gz LBDDTANKCKTYIS-NVXWUHKLSA-N 1 2 342.468 1.987 20 30 EDEDLO N#Cc1csc(CN[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)n1 ZINC000352835310 149185553 /nfs/dbraw/zinc/18/55/53/149185553.db2.gz LBDDTANKCKTYIS-NVXWUHKLSA-N 1 2 342.468 1.987 20 30 EDEDLO Cn1ncc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1C#N ZINC000354313845 149754046 /nfs/dbraw/zinc/75/40/46/149754046.db2.gz VQKDHLZMZDSGJD-KRWDZBQOSA-N 1 2 339.399 1.095 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000367187092 154033127 /nfs/dbraw/zinc/03/31/27/154033127.db2.gz OOZWAPDSFKOGCK-LLVKDONJSA-N 1 2 336.442 1.922 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000367528896 154162572 /nfs/dbraw/zinc/16/25/72/154162572.db2.gz JQXKLQGARVIFPD-CQSZACIVSA-N 1 2 337.470 1.370 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000369371545 155000723 /nfs/dbraw/zinc/00/07/23/155000723.db2.gz WQJSAUXOIARYPG-GFCCVEGCSA-N 1 2 331.401 1.255 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@@H]2Cn2ccnn2)c(C#N)c1C ZINC000369421517 155024953 /nfs/dbraw/zinc/02/49/53/155024953.db2.gz CNUIHIPWAGUENO-CQSZACIVSA-N 1 2 342.403 1.853 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2CCCC[C@@H]2Cn2ccnn2)c(C#N)c1C ZINC000369421517 155024955 /nfs/dbraw/zinc/02/49/55/155024955.db2.gz CNUIHIPWAGUENO-CQSZACIVSA-N 1 2 342.403 1.853 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000372359830 156352679 /nfs/dbraw/zinc/35/26/79/156352679.db2.gz QGUFWMSVODAIMF-HNNXBMFYSA-N 1 2 337.383 1.139 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000372359830 156352681 /nfs/dbraw/zinc/35/26/81/156352681.db2.gz QGUFWMSVODAIMF-HNNXBMFYSA-N 1 2 337.383 1.139 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000373816944 157018732 /nfs/dbraw/zinc/01/87/32/157018732.db2.gz XSRIEFBPJRINDR-UHFFFAOYSA-N 1 2 348.453 1.962 20 30 EDEDLO COc1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)ccc1C#N ZINC000374209565 157195373 /nfs/dbraw/zinc/19/53/73/157195373.db2.gz IIFOIRREAQMLRE-OAHLLOKOSA-N 1 2 335.429 1.223 20 30 EDEDLO COc1cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)ccc1C#N ZINC000374209565 157195376 /nfs/dbraw/zinc/19/53/76/157195376.db2.gz IIFOIRREAQMLRE-OAHLLOKOSA-N 1 2 335.429 1.223 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000408040239 158248267 /nfs/dbraw/zinc/24/82/67/158248267.db2.gz FSPJJCMMVAZNQP-RYUDHWBXSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000408040239 158248265 /nfs/dbraw/zinc/24/82/65/158248265.db2.gz FSPJJCMMVAZNQP-RYUDHWBXSA-N 1 2 325.409 1.801 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000054844178 287227770 /nfs/dbraw/zinc/22/77/70/287227770.db2.gz LUNDUNWGZBXFJN-UHFFFAOYSA-N 1 2 341.371 1.297 20 30 EDEDLO CCCNC(=O)C[N@H+](CCC)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298243212 266056499 /nfs/dbraw/zinc/05/64/99/266056499.db2.gz SHUKNDOZNQTHOR-KRWDZBQOSA-N 1 2 342.443 1.902 20 30 EDEDLO CCCNC(=O)C[N@@H+](CCC)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298243212 266056502 /nfs/dbraw/zinc/05/65/02/266056502.db2.gz SHUKNDOZNQTHOR-KRWDZBQOSA-N 1 2 342.443 1.902 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329932023 266325986 /nfs/dbraw/zinc/32/59/86/266325986.db2.gz PILLHSVCQNWEBB-GDBMZVCRSA-N 1 2 330.388 1.517 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329932023 266325999 /nfs/dbraw/zinc/32/59/99/266325999.db2.gz PILLHSVCQNWEBB-GDBMZVCRSA-N 1 2 330.388 1.517 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(F)c1O ZINC000272252751 267066562 /nfs/dbraw/zinc/06/65/62/267066562.db2.gz CFMQHDPEBLTFPD-GFCCVEGCSA-N 1 2 327.363 1.904 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(F)c1O ZINC000272252751 267066565 /nfs/dbraw/zinc/06/65/65/267066565.db2.gz CFMQHDPEBLTFPD-GFCCVEGCSA-N 1 2 327.363 1.904 20 30 EDEDLO C[C@H](C(N)=O)[NH+]1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC000301784621 267144569 /nfs/dbraw/zinc/14/45/69/267144569.db2.gz OVBOOYUEKVRMAC-LLVKDONJSA-N 1 2 343.818 1.756 20 30 EDEDLO CCO[C@@]1(C)C[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000528215544 267153878 /nfs/dbraw/zinc/15/38/78/267153878.db2.gz WDZUNPILSUBKMC-MJGOQNOKSA-N 1 2 342.443 1.953 20 30 EDEDLO C[C@H](O)CNc1cc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc[nH+]1 ZINC000299059314 267191338 /nfs/dbraw/zinc/19/13/38/267191338.db2.gz UWXRFKPCHTYWIX-GXTWGEPZSA-N 1 2 340.387 1.194 20 30 EDEDLO C[C@H](O)CNc1cc(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH+]cn1 ZINC000299059314 267191340 /nfs/dbraw/zinc/19/13/40/267191340.db2.gz UWXRFKPCHTYWIX-GXTWGEPZSA-N 1 2 340.387 1.194 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2cnc(C#N)c(Cl)c2)CCO1 ZINC000455758073 267202863 /nfs/dbraw/zinc/20/28/63/267202863.db2.gz IXFZHCZALJLMFR-GFCCVEGCSA-N 1 2 337.811 1.839 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2cnc(C#N)c(Cl)c2)CCO1 ZINC000455758073 267202868 /nfs/dbraw/zinc/20/28/68/267202868.db2.gz IXFZHCZALJLMFR-GFCCVEGCSA-N 1 2 337.811 1.839 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(C#N)n2C)nc[nH+]1 ZINC000449984425 267353253 /nfs/dbraw/zinc/35/32/53/267353253.db2.gz HZDFJPCUNQEXJR-ZDUSSCGKSA-N 1 2 339.403 1.127 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(C#N)n2C)[nH+]cn1 ZINC000449984425 267353257 /nfs/dbraw/zinc/35/32/57/267353257.db2.gz HZDFJPCUNQEXJR-ZDUSSCGKSA-N 1 2 339.403 1.127 20 30 EDEDLO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](F)C[C@H]2C(N)=O)cc1Cl ZINC000285383870 268137682 /nfs/dbraw/zinc/13/76/82/268137682.db2.gz FFLBBDGTZCMWRQ-MFKMUULPSA-N 1 2 338.770 1.438 20 30 EDEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](F)C[C@H]2C(N)=O)cc1Cl ZINC000285383870 268137683 /nfs/dbraw/zinc/13/76/83/268137683.db2.gz FFLBBDGTZCMWRQ-MFKMUULPSA-N 1 2 338.770 1.438 20 30 EDEDLO N#Cc1ccc(NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)nn1 ZINC000301841032 268156559 /nfs/dbraw/zinc/15/65/59/268156559.db2.gz PGAKMWKVYVVHHU-INIZCTEOSA-N 1 2 327.363 1.973 20 30 EDEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000428981367 268163316 /nfs/dbraw/zinc/16/33/16/268163316.db2.gz YVMWNJXCLUKKBJ-AWEZNQCLSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000428981367 268163318 /nfs/dbraw/zinc/16/33/18/268163318.db2.gz YVMWNJXCLUKKBJ-AWEZNQCLSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@H](O)C3)CC2)cc1 ZINC000439250125 268220531 /nfs/dbraw/zinc/22/05/31/268220531.db2.gz LUFAFIXCUCPWHR-MSOLQXFVSA-N 1 2 327.428 1.754 20 30 EDEDLO N#Cc1nc(N2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1Cl ZINC000299655788 268323043 /nfs/dbraw/zinc/32/30/43/268323043.db2.gz PGBHCPBRHGXQAO-UHFFFAOYSA-N 1 2 333.823 1.351 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000342266434 278015573 /nfs/dbraw/zinc/01/55/73/278015573.db2.gz OZZGFEDQNSZNJN-QAPCUYQASA-N 1 2 339.439 1.911 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000340047453 290051657 /nfs/dbraw/zinc/05/16/57/290051657.db2.gz LOBFPTCQWVBVSD-UHFFFAOYSA-N 1 2 344.234 1.257 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C)c2[nH+]cccc21 ZINC000267241643 301075481 /nfs/dbraw/zinc/07/54/81/301075481.db2.gz HGSFHVHJECFCNC-UHFFFAOYSA-N 1 2 328.397 1.907 20 30 EDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000448809499 447347900 /nfs/dbraw/zinc/34/79/00/447347900.db2.gz IYRXWAFCWIESRR-BEFAXECRSA-N 1 2 343.427 1.564 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2F)C[C@H]1C ZINC000536554743 306022223 /nfs/dbraw/zinc/02/22/23/306022223.db2.gz BZNBVDUCLGPKAN-NEPJUHHUSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2F)C[C@H]1C ZINC000536554743 306022224 /nfs/dbraw/zinc/02/22/24/306022224.db2.gz BZNBVDUCLGPKAN-NEPJUHHUSA-N 1 2 325.409 1.801 20 30 EDEDLO CC(C)(C#N)CCS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000377852723 447378773 /nfs/dbraw/zinc/37/87/73/447378773.db2.gz SVWRKRQIRWVCLM-GJZGRUSLSA-N 1 2 343.493 1.489 20 30 EDEDLO CCN1CCN(S(=O)(=O)CCC(C)(C)C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000377855404 447379853 /nfs/dbraw/zinc/37/98/53/447379853.db2.gz KDWZBEITQATTDX-ZDUSSCGKSA-N 1 2 339.465 1.358 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000044714774 440878716 /nfs/dbraw/zinc/87/87/16/440878716.db2.gz LJGOYJFIZQSOLG-INIZCTEOSA-N 1 2 339.443 1.664 20 30 EDEDLO N#CC1CC[NH+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000057874927 441139594 /nfs/dbraw/zinc/13/95/94/441139594.db2.gz QHESZUYGKKWZKX-KRWDZBQOSA-N 1 2 326.444 1.865 20 30 EDEDLO N#CC1CC[NH+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1 ZINC000057880449 441141092 /nfs/dbraw/zinc/14/10/92/441141092.db2.gz CPGOBASHHPIDNM-UHFFFAOYSA-N 1 2 332.379 1.270 20 30 EDEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCNC(=O)C2)sc2c1CCCC2 ZINC000016585672 441228168 /nfs/dbraw/zinc/22/81/68/441228168.db2.gz QDJJKXLVURAXGZ-UHFFFAOYSA-N 1 2 332.429 1.259 20 30 EDEDLO N#Cc1c(NC(=O)CC[N@H+]2CCNC(=O)C2)sc2c1CCCC2 ZINC000016585672 441228171 /nfs/dbraw/zinc/22/81/71/441228171.db2.gz QDJJKXLVURAXGZ-UHFFFAOYSA-N 1 2 332.429 1.259 20 30 EDEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000060943316 441262717 /nfs/dbraw/zinc/26/27/17/441262717.db2.gz CYXNDMADKVGUQL-WMZOPIPTSA-N 1 2 346.427 1.910 20 30 EDEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000060943316 441262718 /nfs/dbraw/zinc/26/27/18/441262718.db2.gz CYXNDMADKVGUQL-WMZOPIPTSA-N 1 2 346.427 1.910 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C)CC1 ZINC000024430372 441310042 /nfs/dbraw/zinc/31/00/42/441310042.db2.gz DLLDQBILXUKEGB-OAHLLOKOSA-N 1 2 330.432 1.517 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000074290727 441417711 /nfs/dbraw/zinc/41/77/11/441417711.db2.gz AQUFLBCIYGFKPZ-KRWDZBQOSA-N 1 2 330.436 1.043 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000074290727 441417713 /nfs/dbraw/zinc/41/77/13/441417713.db2.gz AQUFLBCIYGFKPZ-KRWDZBQOSA-N 1 2 330.436 1.043 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000052309604 441446029 /nfs/dbraw/zinc/44/60/29/441446029.db2.gz DRAVLJUOGAIVNE-CQSZACIVSA-N 1 2 333.436 1.109 20 30 EDEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000088771710 441520594 /nfs/dbraw/zinc/52/05/94/441520594.db2.gz ZJHNTCPKJOJFEI-UHFFFAOYSA-N 1 2 332.791 1.457 20 30 EDEDLO Cc1nc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1C#N ZINC000031935838 441541331 /nfs/dbraw/zinc/54/13/31/441541331.db2.gz IOVKJVQWNDZTNZ-KRWDZBQOSA-N 1 2 346.456 1.199 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+](CCO)CCOCC(F)(F)F)c1 ZINC000112982608 441573728 /nfs/dbraw/zinc/57/37/28/441573728.db2.gz VSOQCECSGFDRKC-UHFFFAOYSA-N 1 2 345.321 1.370 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+](CCO)CCOCC(F)(F)F)c1 ZINC000112982608 441573730 /nfs/dbraw/zinc/57/37/30/441573730.db2.gz VSOQCECSGFDRKC-UHFFFAOYSA-N 1 2 345.321 1.370 20 30 EDEDLO C#CC[NH+](CC#C)CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000076185866 441607973 /nfs/dbraw/zinc/60/79/73/441607973.db2.gz MTILFBATZHDPEL-UHFFFAOYSA-N 1 2 343.471 1.196 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000114736384 441680106 /nfs/dbraw/zinc/68/01/06/441680106.db2.gz BBWGQXHMJLKJFD-UHFFFAOYSA-N 1 2 344.440 1.921 20 30 EDEDLO Cc1cc(NC(=O)CC[NH+]2CC(Oc3ccc(C#N)cc3)C2)no1 ZINC000158560346 441747000 /nfs/dbraw/zinc/74/70/00/441747000.db2.gz SVOANYKKADSMMZ-UHFFFAOYSA-N 1 2 326.356 1.947 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000042534013 441748368 /nfs/dbraw/zinc/74/83/68/441748368.db2.gz NLMDNRFNWAQNQA-CYBMUJFWSA-N 1 2 348.428 1.166 20 30 EDEDLO C[C@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)C(=O)N(C)CCC#N ZINC000115604329 441765249 /nfs/dbraw/zinc/76/52/49/441765249.db2.gz RWNRVOBRWVXWJE-STQMWFEESA-N 1 2 327.392 1.073 20 30 EDEDLO CCOCCOCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000056982744 441765997 /nfs/dbraw/zinc/76/59/97/441765997.db2.gz WBZULQUCNMGIBL-UHFFFAOYSA-N 1 2 331.416 1.256 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000042295279 441721661 /nfs/dbraw/zinc/72/16/61/441721661.db2.gz LFHYODIZTFAQEB-CYBMUJFWSA-N 1 2 344.415 1.043 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000042295279 441721666 /nfs/dbraw/zinc/72/16/66/441721666.db2.gz LFHYODIZTFAQEB-CYBMUJFWSA-N 1 2 344.415 1.043 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](CCC#N)CC2CC2)CC1 ZINC000092618969 441815549 /nfs/dbraw/zinc/81/55/49/441815549.db2.gz SQANSEZVWMZIBC-QGZVFWFLSA-N 1 2 331.464 1.304 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000092618969 441815554 /nfs/dbraw/zinc/81/55/54/441815554.db2.gz SQANSEZVWMZIBC-QGZVFWFLSA-N 1 2 331.464 1.304 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(Cc2cscn2)CC1 ZINC000068333989 441776290 /nfs/dbraw/zinc/77/62/90/441776290.db2.gz PNKRQXOMCCIXDD-RHSMWYFYSA-N 1 2 349.504 1.704 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118391945 441894281 /nfs/dbraw/zinc/89/42/81/441894281.db2.gz RRSWBXTXKRXNPD-GJZGRUSLSA-N 1 2 326.444 1.904 20 30 EDEDLO C=CCCS(=O)(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000119676180 441945658 /nfs/dbraw/zinc/94/56/58/441945658.db2.gz DFRGYDNLSZHCGE-OKILXGFUSA-N 1 2 339.461 1.691 20 30 EDEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCC3OCCO3)c2)n1 ZINC000120205540 442028022 /nfs/dbraw/zinc/02/80/22/442028022.db2.gz WZBUQFGLXVOZCF-UHFFFAOYSA-N 1 2 344.415 1.948 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000126082453 442076882 /nfs/dbraw/zinc/07/68/82/442076882.db2.gz WTDGWCKTTLWJBM-CQSZACIVSA-N 1 2 331.391 1.112 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000126082453 442076885 /nfs/dbraw/zinc/07/68/85/442076885.db2.gz WTDGWCKTTLWJBM-CQSZACIVSA-N 1 2 331.391 1.112 20 30 EDEDLO N#CCCn1ccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000162660218 442112706 /nfs/dbraw/zinc/11/27/06/442112706.db2.gz CEPLCXLRLMTOSC-UHFFFAOYSA-N 1 2 339.403 1.541 20 30 EDEDLO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N(C)CCC#N ZINC000152880234 442249193 /nfs/dbraw/zinc/24/91/93/442249193.db2.gz SQVOMEVRCUFMTA-CQSZACIVSA-N 1 2 346.431 1.716 20 30 EDEDLO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N(C)CCC#N ZINC000152880234 442249197 /nfs/dbraw/zinc/24/91/97/442249197.db2.gz SQVOMEVRCUFMTA-CQSZACIVSA-N 1 2 346.431 1.716 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2Cc3ccccc3C2)CC1 ZINC000127999880 442239262 /nfs/dbraw/zinc/23/92/62/442239262.db2.gz VHYPPYOPELMNRG-SFHVURJKSA-N 1 2 326.444 1.695 20 30 EDEDLO CNC(=O)C1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000176997179 442282884 /nfs/dbraw/zinc/28/28/84/442282884.db2.gz DCJKEWCVFNFRSY-UHFFFAOYSA-N 1 2 334.445 1.633 20 30 EDEDLO COc1ccc(C#N)cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000154253195 442328758 /nfs/dbraw/zinc/32/87/58/442328758.db2.gz UGOZWLJSQGETCS-UHFFFAOYSA-N 1 2 328.416 1.615 20 30 EDEDLO N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000171247907 442333606 /nfs/dbraw/zinc/33/36/06/442333606.db2.gz FJIIVQJCKJOTHN-UHFFFAOYSA-N 1 2 349.297 1.111 20 30 EDEDLO Cn1cc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)c(C(F)(F)F)n1 ZINC000155162736 442379130 /nfs/dbraw/zinc/37/91/30/442379130.db2.gz KOVGYDYICZFOEZ-CQSZACIVSA-N 1 2 343.353 1.679 20 30 EDEDLO Cn1cc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)c(C(F)(F)F)n1 ZINC000155162736 442379133 /nfs/dbraw/zinc/37/91/33/442379133.db2.gz KOVGYDYICZFOEZ-CQSZACIVSA-N 1 2 343.353 1.679 20 30 EDEDLO C[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccncc1 ZINC000156281147 442462904 /nfs/dbraw/zinc/46/29/04/442462904.db2.gz HKYSLPUEZSKGHF-INIZCTEOSA-N 1 2 330.432 1.650 20 30 EDEDLO Cn1cc(C[N@H+](C)CCS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000179935095 442521401 /nfs/dbraw/zinc/52/14/01/442521401.db2.gz FNBHEWXTNZBLTM-UHFFFAOYSA-N 1 2 332.429 1.435 20 30 EDEDLO Cn1cc(C[N@@H+](C)CCS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 ZINC000179935095 442521404 /nfs/dbraw/zinc/52/14/04/442521404.db2.gz FNBHEWXTNZBLTM-UHFFFAOYSA-N 1 2 332.429 1.435 20 30 EDEDLO C=CCN(CCOC)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000192342753 442637091 /nfs/dbraw/zinc/63/70/91/442637091.db2.gz ILPSBMJXKOUYTO-UHFFFAOYSA-N 1 2 334.420 1.893 20 30 EDEDLO Cc1ncc(C[N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)s1 ZINC000180569329 442624385 /nfs/dbraw/zinc/62/43/85/442624385.db2.gz DVMBYCDTWQSRFJ-INIZCTEOSA-N 1 2 349.504 1.576 20 30 EDEDLO Cc1ncc(C[N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)s1 ZINC000180569329 442624391 /nfs/dbraw/zinc/62/43/91/442624391.db2.gz DVMBYCDTWQSRFJ-INIZCTEOSA-N 1 2 349.504 1.576 20 30 EDEDLO CC[C@@]1(C)C[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 ZINC000135723147 442628584 /nfs/dbraw/zinc/62/85/84/442628584.db2.gz HHURVGBTJSVCHP-WMZOPIPTSA-N 1 2 336.480 1.180 20 30 EDEDLO CC[C@@]1(C)C[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 ZINC000135723147 442628590 /nfs/dbraw/zinc/62/85/90/442628590.db2.gz HHURVGBTJSVCHP-WMZOPIPTSA-N 1 2 336.480 1.180 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@]34CCOC4=O)C2=O)cc1 ZINC000192797095 442686948 /nfs/dbraw/zinc/68/69/48/442686948.db2.gz HXAGHIHTWBSCSU-APWZRJJASA-N 1 2 339.395 1.835 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@]34CCOC4=O)C2=O)cc1 ZINC000192797095 442686949 /nfs/dbraw/zinc/68/69/49/442686949.db2.gz HXAGHIHTWBSCSU-APWZRJJASA-N 1 2 339.395 1.835 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000192823978 442689905 /nfs/dbraw/zinc/68/99/05/442689905.db2.gz BFGIQEMMXYEOAM-INIZCTEOSA-N 1 2 344.459 1.653 20 30 EDEDLO Cc1[nH]nc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1O ZINC000610968334 450395126 /nfs/dbraw/zinc/39/51/26/450395126.db2.gz WQQKTJQAPNMEAC-UHFFFAOYSA-N 1 2 339.399 1.644 20 30 EDEDLO Cc1[nH]nc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1O ZINC000610968334 450395128 /nfs/dbraw/zinc/39/51/28/450395128.db2.gz WQQKTJQAPNMEAC-UHFFFAOYSA-N 1 2 339.399 1.644 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000182895233 442843429 /nfs/dbraw/zinc/84/34/29/442843429.db2.gz AJDHTYRZWSJQDP-DLBZAZTESA-N 1 2 333.432 1.296 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCCCS(=O)(=O)C(C)C)cc1OC ZINC000268191515 442891950 /nfs/dbraw/zinc/89/19/50/442891950.db2.gz WHVWWWNJIWYIJG-UHFFFAOYSA-N 1 2 344.433 1.554 20 30 EDEDLO C=CC[N@@H+](CCOC)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000189421349 442948780 /nfs/dbraw/zinc/94/87/80/442948780.db2.gz ZLZLCJLBYZMIFX-UHFFFAOYSA-N 1 2 328.434 1.699 20 30 EDEDLO C=CC[N@H+](CCOC)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000189421349 442948782 /nfs/dbraw/zinc/94/87/82/442948782.db2.gz ZLZLCJLBYZMIFX-UHFFFAOYSA-N 1 2 328.434 1.699 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000248703219 442919089 /nfs/dbraw/zinc/91/90/89/442919089.db2.gz GFNZSDNUCAKARO-ZFWWWQNUSA-N 1 2 335.477 1.518 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000248703219 442919092 /nfs/dbraw/zinc/91/90/92/442919092.db2.gz GFNZSDNUCAKARO-ZFWWWQNUSA-N 1 2 335.477 1.518 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183735629 442957257 /nfs/dbraw/zinc/95/72/57/442957257.db2.gz QQRWCYSTHOYIKB-HIFRSBDPSA-N 1 2 343.493 1.004 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183735629 442957261 /nfs/dbraw/zinc/95/72/61/442957261.db2.gz QQRWCYSTHOYIKB-HIFRSBDPSA-N 1 2 343.493 1.004 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000249270649 442962362 /nfs/dbraw/zinc/96/23/62/442962362.db2.gz JBHOTNXDLIHDIO-KKUMJFAQSA-N 1 2 338.473 1.733 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000249270649 442962365 /nfs/dbraw/zinc/96/23/65/442962365.db2.gz JBHOTNXDLIHDIO-KKUMJFAQSA-N 1 2 338.473 1.733 20 30 EDEDLO Cc1cc(N2CC[C@H](O[NH+]=C(N)[C@@H](C)OCC(C)C)C2=O)n(C)n1 ZINC000266191773 443052090 /nfs/dbraw/zinc/05/20/90/443052090.db2.gz IQNVTGUEOQOYEA-OLZOCXBDSA-N 1 2 337.424 1.184 20 30 EDEDLO CC[C@H](C)NC(=O)CN1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000268644611 443062934 /nfs/dbraw/zinc/06/29/34/443062934.db2.gz UEVSUIJEIUXTHC-MAUKXSAKSA-N 1 2 344.459 1.124 20 30 EDEDLO CC[C@H](C)NC(=O)CN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268645718 443063207 /nfs/dbraw/zinc/06/32/07/443063207.db2.gz UEVSUIJEIUXTHC-YJBOKZPZSA-N 1 2 344.459 1.124 20 30 EDEDLO COc1ccc(C(N)=[NH+]OCC(=O)NCCC(C)(C)C)cc1OC ZINC000268661066 443068161 /nfs/dbraw/zinc/06/81/61/443068161.db2.gz SCUMWQKTYCCTJY-UHFFFAOYSA-N 1 2 337.420 1.893 20 30 EDEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)s1 ZINC000185016016 443118146 /nfs/dbraw/zinc/11/81/46/443118146.db2.gz SYOPFLXZVYPMPV-HUUCEWRRSA-N 1 2 349.504 1.795 20 30 EDEDLO CCc1nnc(C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)[nH]1 ZINC000190644557 443155959 /nfs/dbraw/zinc/15/59/59/443155959.db2.gz IWVJPOMFSKNQBD-QGZVFWFLSA-N 1 2 330.436 1.355 20 30 EDEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)n1 ZINC000190644557 443155963 /nfs/dbraw/zinc/15/59/63/443155963.db2.gz IWVJPOMFSKNQBD-QGZVFWFLSA-N 1 2 330.436 1.355 20 30 EDEDLO CCc1nc(C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)n[nH]1 ZINC000190644557 443155965 /nfs/dbraw/zinc/15/59/65/443155965.db2.gz IWVJPOMFSKNQBD-QGZVFWFLSA-N 1 2 330.436 1.355 20 30 EDEDLO CCc1nnc(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)[nH]1 ZINC000190674023 443161172 /nfs/dbraw/zinc/16/11/72/443161172.db2.gz GQHWMWVNLTYHGF-UHFFFAOYSA-N 1 2 343.435 1.202 20 30 EDEDLO CCc1n[nH]c(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)n1 ZINC000190674023 443161176 /nfs/dbraw/zinc/16/11/76/443161176.db2.gz GQHWMWVNLTYHGF-UHFFFAOYSA-N 1 2 343.435 1.202 20 30 EDEDLO CCc1nc(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)n[nH]1 ZINC000190674023 443161180 /nfs/dbraw/zinc/16/11/80/443161180.db2.gz GQHWMWVNLTYHGF-UHFFFAOYSA-N 1 2 343.435 1.202 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000245551180 443236810 /nfs/dbraw/zinc/23/68/10/443236810.db2.gz AXOZLLHNHLCSBK-SQNIBIBYSA-N 1 2 348.491 1.322 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000245551180 443236814 /nfs/dbraw/zinc/23/68/14/443236814.db2.gz AXOZLLHNHLCSBK-SQNIBIBYSA-N 1 2 348.491 1.322 20 30 EDEDLO C=CCN(CCOC)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000191084712 443238803 /nfs/dbraw/zinc/23/88/03/443238803.db2.gz LRAVFYBSQGNNDG-UHFFFAOYSA-N 1 2 347.459 1.592 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191320657 443278330 /nfs/dbraw/zinc/27/83/30/443278330.db2.gz HRCOGWLDELNKFY-OAHLLOKOSA-N 1 2 343.475 1.462 20 30 EDEDLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191320657 443278336 /nfs/dbraw/zinc/27/83/36/443278336.db2.gz HRCOGWLDELNKFY-OAHLLOKOSA-N 1 2 343.475 1.462 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCOCC3CC3)CC2)cc1 ZINC000264508578 443311614 /nfs/dbraw/zinc/31/16/14/443311614.db2.gz RPLOCOSYHFKVLQ-UHFFFAOYSA-N 1 2 342.443 1.812 20 30 EDEDLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000267010325 443312769 /nfs/dbraw/zinc/31/27/69/443312769.db2.gz HDWKNWHPXYVTJU-CYBMUJFWSA-N 1 2 342.403 1.756 20 30 EDEDLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000267010325 443312770 /nfs/dbraw/zinc/31/27/70/443312770.db2.gz HDWKNWHPXYVTJU-CYBMUJFWSA-N 1 2 342.403 1.756 20 30 EDEDLO COc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000278523095 443352314 /nfs/dbraw/zinc/35/23/14/443352314.db2.gz CUJJDMVUMKSJHJ-GJZGRUSLSA-N 1 2 349.456 1.694 20 30 EDEDLO C=CCSCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000267176500 443368167 /nfs/dbraw/zinc/36/81/67/443368167.db2.gz PMBDKCXSDUZAKZ-UHFFFAOYSA-N 1 2 339.465 1.256 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278899739 443472920 /nfs/dbraw/zinc/47/29/20/443472920.db2.gz RJRLEMGRLWKQBX-ZIAGYGMSSA-N 1 2 334.395 1.824 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278899739 443472925 /nfs/dbraw/zinc/47/29/25/443472925.db2.gz RJRLEMGRLWKQBX-ZIAGYGMSSA-N 1 2 334.395 1.824 20 30 EDEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1 ZINC000267413210 443448874 /nfs/dbraw/zinc/44/88/74/443448874.db2.gz SDURNHHFOCBCIZ-HOTGVXAUSA-N 1 2 341.459 1.580 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C2 ZINC000283091710 443519568 /nfs/dbraw/zinc/51/95/68/443519568.db2.gz WNRIAMNCCQGEOW-GFCCVEGCSA-N 1 2 339.465 1.380 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000279180811 443527376 /nfs/dbraw/zinc/52/73/76/443527376.db2.gz RUINWUVIHHZQEV-UHFFFAOYSA-N 1 2 337.379 1.927 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1)OCC ZINC000275678539 443637828 /nfs/dbraw/zinc/63/78/28/443637828.db2.gz MAFINCDMZLRFNP-GJZGRUSLSA-N 1 2 347.463 1.463 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1)OCC ZINC000275678539 443637833 /nfs/dbraw/zinc/63/78/33/443637833.db2.gz MAFINCDMZLRFNP-GJZGRUSLSA-N 1 2 347.463 1.463 20 30 EDEDLO CC(C)Nc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000267841675 443595096 /nfs/dbraw/zinc/59/50/96/443595096.db2.gz NWKDWJSDWLBIGQ-UHFFFAOYSA-N 1 2 345.447 1.590 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274081327 443595324 /nfs/dbraw/zinc/59/53/24/443595324.db2.gz WFLOBVFUFZYDEF-IUODEOHRSA-N 1 2 341.415 1.421 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274081327 443595325 /nfs/dbraw/zinc/59/53/25/443595325.db2.gz WFLOBVFUFZYDEF-IUODEOHRSA-N 1 2 341.415 1.421 20 30 EDEDLO CC(=O)N1CC[NH+](CCNc2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000286186732 443664139 /nfs/dbraw/zinc/66/41/39/443664139.db2.gz QQOPNAMFZPUWBG-UHFFFAOYSA-N 1 2 346.822 1.435 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc2ccccc2O1 ZINC000292278853 443788668 /nfs/dbraw/zinc/78/86/68/443788668.db2.gz BNSVXFWYTZUOTG-HNNXBMFYSA-N 1 2 326.400 1.925 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc2ccccc2O1 ZINC000292278853 443788670 /nfs/dbraw/zinc/78/86/70/443788670.db2.gz BNSVXFWYTZUOTG-HNNXBMFYSA-N 1 2 326.400 1.925 20 30 EDEDLO C#CCSCCNC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000284830432 443790179 /nfs/dbraw/zinc/79/01/79/443790179.db2.gz JEIXIKDFMLBUOH-AWEZNQCLSA-N 1 2 336.461 1.553 20 30 EDEDLO C#CCONC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000291348206 443756501 /nfs/dbraw/zinc/75/65/01/443756501.db2.gz WYCOVVANBZJCFF-UHFFFAOYSA-N 1 2 325.368 1.838 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000280929160 443777152 /nfs/dbraw/zinc/77/71/52/443777152.db2.gz IGUXICSHZBBSEI-ZOBUZTSGSA-N 1 2 330.432 1.941 20 30 EDEDLO CCOc1cc(CO[NH+]=C(N)C(C)(C)NC(C)=O)ccc1[N+](=O)[O-] ZINC000281181883 443841232 /nfs/dbraw/zinc/84/12/32/443841232.db2.gz NMVCFYCBEMOZAI-UHFFFAOYSA-N 1 2 338.364 1.697 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000292932195 443881706 /nfs/dbraw/zinc/88/17/06/443881706.db2.gz JCYXQDGJELYFCI-KRWDZBQOSA-N 1 2 342.443 1.182 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000292932195 443881710 /nfs/dbraw/zinc/88/17/10/443881710.db2.gz JCYXQDGJELYFCI-KRWDZBQOSA-N 1 2 342.443 1.182 20 30 EDEDLO C=CC[N@@H+](C[C@H](O)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000292856275 443861468 /nfs/dbraw/zinc/86/14/68/443861468.db2.gz QZTXXOQMEHFXJQ-JKSUJKDBSA-N 1 2 327.421 1.404 20 30 EDEDLO C=CC[N@H+](C[C@H](O)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000292856275 443861471 /nfs/dbraw/zinc/86/14/71/443861471.db2.gz QZTXXOQMEHFXJQ-JKSUJKDBSA-N 1 2 327.421 1.404 20 30 EDEDLO C=CCCCS(=O)(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000292869095 443865056 /nfs/dbraw/zinc/86/50/56/443865056.db2.gz DOTPTPAUDYNVOO-UHFFFAOYSA-N 1 2 348.472 1.748 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000292912594 443876823 /nfs/dbraw/zinc/87/68/23/443876823.db2.gz FNUMHOBXWIDSSV-LLVKDONJSA-N 1 2 328.294 1.032 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000292912594 443876830 /nfs/dbraw/zinc/87/68/30/443876830.db2.gz FNUMHOBXWIDSSV-LLVKDONJSA-N 1 2 328.294 1.032 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(OCC)cc2)C1=O ZINC000281316759 443878137 /nfs/dbraw/zinc/87/81/37/443878137.db2.gz KXQPKWRIYDHVMV-INIZCTEOSA-N 1 2 331.416 1.743 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(OCC)cc2)C1=O ZINC000281316759 443878144 /nfs/dbraw/zinc/87/81/44/443878144.db2.gz KXQPKWRIYDHVMV-INIZCTEOSA-N 1 2 331.416 1.743 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000299146091 443967036 /nfs/dbraw/zinc/96/70/36/443967036.db2.gz VOIYVEWJVNZSFE-KRWDZBQOSA-N 1 2 344.415 1.917 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000299146091 443967039 /nfs/dbraw/zinc/96/70/39/443967039.db2.gz VOIYVEWJVNZSFE-KRWDZBQOSA-N 1 2 344.415 1.917 20 30 EDEDLO CC#CC[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000293267151 443967748 /nfs/dbraw/zinc/96/77/48/443967748.db2.gz URYKACHRGDKYNU-UHFFFAOYSA-N 1 2 333.407 1.234 20 30 EDEDLO CC#CC[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000293267151 443967751 /nfs/dbraw/zinc/96/77/51/443967751.db2.gz URYKACHRGDKYNU-UHFFFAOYSA-N 1 2 333.407 1.234 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000288875802 444003442 /nfs/dbraw/zinc/00/34/42/444003442.db2.gz OEOKBMYEFDVVFR-UHFFFAOYSA-N 1 2 326.849 1.811 20 30 EDEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000293456845 444022934 /nfs/dbraw/zinc/02/29/34/444022934.db2.gz KYFRMLGMFLQDBD-UHFFFAOYSA-N 1 2 340.445 1.204 20 30 EDEDLO COC(=O)C[C@H](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289206514 444076584 /nfs/dbraw/zinc/07/65/84/444076584.db2.gz WCAGKMLWHNQBDI-OAHLLOKOSA-N 1 2 343.427 1.792 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)C1=O ZINC000281994417 444057883 /nfs/dbraw/zinc/05/78/83/444057883.db2.gz MZXGJPGADFIKBC-INIZCTEOSA-N 1 2 347.415 1.361 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)C1=O ZINC000281994417 444057887 /nfs/dbraw/zinc/05/78/87/444057887.db2.gz MZXGJPGADFIKBC-INIZCTEOSA-N 1 2 347.415 1.361 20 30 EDEDLO CCc1nc(C)c(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000565653680 321195089 /nfs/dbraw/zinc/19/50/89/321195089.db2.gz GLXQUVTYXRVGCI-UHFFFAOYSA-N 1 2 334.401 1.376 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000570570557 321348565 /nfs/dbraw/zinc/34/85/65/321348565.db2.gz VLBZEWZMYLCDKP-SNPRPXQTSA-N 1 2 325.372 1.374 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000570570557 321348566 /nfs/dbraw/zinc/34/85/66/321348566.db2.gz VLBZEWZMYLCDKP-SNPRPXQTSA-N 1 2 325.372 1.374 20 30 EDEDLO C#CCO[C@H](C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000294663617 444134788 /nfs/dbraw/zinc/13/47/88/444134788.db2.gz QOGYDVMSDNYBBS-SJLPKXTDSA-N 1 2 330.428 1.084 20 30 EDEDLO C=CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC=C)[N@@H+]1Cc1ccccc1 ZINC000289440652 444144252 /nfs/dbraw/zinc/14/42/52/444144252.db2.gz YWYRNDANSJZVIS-CALCHBBNSA-N 1 2 327.428 1.624 20 30 EDEDLO C=CCNC(=O)[C@H]1CC[C@@H](C(=O)NCC=C)[N@H+]1Cc1ccccc1 ZINC000289440652 444144256 /nfs/dbraw/zinc/14/42/56/444144256.db2.gz YWYRNDANSJZVIS-CALCHBBNSA-N 1 2 327.428 1.624 20 30 EDEDLO Cc1ccc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)nc1C#N ZINC000302621167 444218173 /nfs/dbraw/zinc/21/81/73/444218173.db2.gz GXAYKKRMTIFFIC-KRWDZBQOSA-N 1 2 343.475 1.493 20 30 EDEDLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000301795390 444190979 /nfs/dbraw/zinc/19/09/79/444190979.db2.gz PSCJSRBCNPPLBU-AWEZNQCLSA-N 1 2 346.406 1.067 20 30 EDEDLO COc1ccc([C@@H](CNc2ccc(C#N)nn2)[NH+]2CCOCC2)cc1 ZINC000301834868 444193067 /nfs/dbraw/zinc/19/30/67/444193067.db2.gz KSKAGRJEVGNQPU-QGZVFWFLSA-N 1 2 339.399 1.842 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000296006938 444198707 /nfs/dbraw/zinc/19/87/07/444198707.db2.gz NEZDRWCZXJWZNV-HOTGVXAUSA-N 1 2 343.427 1.700 20 30 EDEDLO C#Cc1ccc(C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 ZINC000290153444 444249173 /nfs/dbraw/zinc/24/91/73/444249173.db2.gz WUIJOXSHQULNGI-UHFFFAOYSA-N 1 2 345.424 1.304 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305134228 444259991 /nfs/dbraw/zinc/25/99/91/444259991.db2.gz KQSKCIAOGGNDBK-BXUZGUMPSA-N 1 2 335.370 1.630 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305195972 444264299 /nfs/dbraw/zinc/26/42/99/444264299.db2.gz ZHMMRJYFIXALAC-KGLIPLIRSA-N 1 2 335.370 1.676 20 30 EDEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1 ZINC000297594388 444305865 /nfs/dbraw/zinc/30/58/65/444305865.db2.gz ADDGLVFLYCZAJE-ZIAGYGMSSA-N 1 2 348.472 1.571 20 30 EDEDLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1CO)C1CCCCC1 ZINC000328778256 444349431 /nfs/dbraw/zinc/34/94/31/444349431.db2.gz LRRQBQVPBPOXDL-JKSUJKDBSA-N 1 2 348.447 1.841 20 30 EDEDLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1CO)C1CCCCC1 ZINC000328778256 444349434 /nfs/dbraw/zinc/34/94/34/444349434.db2.gz LRRQBQVPBPOXDL-JKSUJKDBSA-N 1 2 348.447 1.841 20 30 EDEDLO CCCn1nccc1NC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000328790824 444353340 /nfs/dbraw/zinc/35/33/40/444353340.db2.gz YZFRTKSPESHNPG-CYBMUJFWSA-N 1 2 348.451 1.950 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2N1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000328821632 444364582 /nfs/dbraw/zinc/36/45/82/444364582.db2.gz RFCIGUYCFOWKEU-CYBMUJFWSA-N 1 2 330.392 1.060 20 30 EDEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000325734219 444368909 /nfs/dbraw/zinc/36/89/09/444368909.db2.gz BDFJFPTUXRWQQP-NVXWUHKLSA-N 1 2 347.484 1.891 20 30 EDEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000325734219 444368914 /nfs/dbraw/zinc/36/89/14/444368914.db2.gz BDFJFPTUXRWQQP-NVXWUHKLSA-N 1 2 347.484 1.891 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000297966715 444372055 /nfs/dbraw/zinc/37/20/55/444372055.db2.gz XUNBYVZRGWIOSH-ZBFHGGJFSA-N 1 2 328.416 1.120 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000297966715 444372058 /nfs/dbraw/zinc/37/20/58/444372058.db2.gz XUNBYVZRGWIOSH-ZBFHGGJFSA-N 1 2 328.416 1.120 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000328847021 444372722 /nfs/dbraw/zinc/37/27/22/444372722.db2.gz QQYWPLHLUQZLSH-LLVKDONJSA-N 1 2 332.326 1.863 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(CC(=O)Nc3cc(C(C)(C)C)no3)C[C@H]21 ZINC000328923196 444404502 /nfs/dbraw/zinc/40/45/02/444404502.db2.gz UTMRYMNYHXVJMK-CHWSQXEVSA-N 1 2 336.436 1.965 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(CC(=O)Nc3cc(C(C)(C)C)no3)C[C@H]21 ZINC000328923196 444404507 /nfs/dbraw/zinc/40/45/07/444404507.db2.gz UTMRYMNYHXVJMK-CHWSQXEVSA-N 1 2 336.436 1.965 20 30 EDEDLO Cc1cccc(NC(=O)NCC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000328927582 444406956 /nfs/dbraw/zinc/40/69/56/444406956.db2.gz XEKHHOSFSNQJKL-HOTGVXAUSA-N 1 2 346.431 1.252 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3COc4ccccc4O3)C[C@@H]21 ZINC000328863383 444379825 /nfs/dbraw/zinc/37/98/25/444379825.db2.gz ZYLSLTIBKJRQAB-QLFBSQMISA-N 1 2 347.415 1.145 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3COc4ccccc4O3)C[C@@H]21 ZINC000328863383 444379828 /nfs/dbraw/zinc/37/98/28/444379828.db2.gz ZYLSLTIBKJRQAB-QLFBSQMISA-N 1 2 347.415 1.145 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3cc4c(cc3Cl)OCO4)C[C@@H]21 ZINC000328884775 444388322 /nfs/dbraw/zinc/38/83/22/444388322.db2.gz NAAQUBRQCDEBEH-SMDDNHRTSA-N 1 2 339.779 1.629 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3cc4c(cc3Cl)OCO4)C[C@@H]21 ZINC000328884775 444388324 /nfs/dbraw/zinc/38/83/24/444388324.db2.gz NAAQUBRQCDEBEH-SMDDNHRTSA-N 1 2 339.779 1.629 20 30 EDEDLO O=C(N[C@H]1CS(=O)(=O)c2ccccc21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328895463 444391655 /nfs/dbraw/zinc/39/16/55/444391655.db2.gz BJRSOPCKAZNPFD-RISCZKNCSA-N 1 2 331.397 1.931 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2cnccn2)CCC(=O)N1C1CC1 ZINC000329062215 444461858 /nfs/dbraw/zinc/46/18/58/444461858.db2.gz ZNTJLFSSYSNMAX-MLGOLLRUSA-N 1 2 340.387 1.409 20 30 EDEDLO C[C@H]1CCO[C@H]1c1nnc(N2CC[NH+](CC(=O)NC3CC3)CC2)n1C ZINC000328695741 444432510 /nfs/dbraw/zinc/43/25/10/444432510.db2.gz GLQGGIXXTHWSIQ-SWLSCSKDSA-N 1 2 348.451 1.154 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC(F)F)cc3F)C[C@H]21 ZINC000328695657 444432547 /nfs/dbraw/zinc/43/25/47/444432547.db2.gz KNPCXMLCIXLPPT-OLZOCXBDSA-N 1 2 345.321 1.987 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC(F)F)cc3F)C[C@H]21 ZINC000328695657 444432551 /nfs/dbraw/zinc/43/25/51/444432551.db2.gz KNPCXMLCIXLPPT-OLZOCXBDSA-N 1 2 345.321 1.987 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nnc(CCCC)n2CC=C)CC1 ZINC000337848703 444435505 /nfs/dbraw/zinc/43/55/05/444435505.db2.gz IHVGJZWWERKHKQ-UHFFFAOYSA-N 1 2 346.479 1.231 20 30 EDEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000337849791 444436200 /nfs/dbraw/zinc/43/62/00/444436200.db2.gz IPTAQFKOYCBHIG-CQSZACIVSA-N 1 2 328.420 1.370 20 30 EDEDLO Cc1c(C#N)cccc1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000338035874 444494525 /nfs/dbraw/zinc/49/45/25/444494525.db2.gz RFAMWCNRYCKDLC-UHFFFAOYSA-N 1 2 348.406 1.962 20 30 EDEDLO Cc1c(C#N)cccc1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000338035874 444494527 /nfs/dbraw/zinc/49/45/27/444494527.db2.gz RFAMWCNRYCKDLC-UHFFFAOYSA-N 1 2 348.406 1.962 20 30 EDEDLO Cc1noc([C@@H]2CCCN2C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)n1 ZINC000329227740 444506818 /nfs/dbraw/zinc/50/68/18/444506818.db2.gz IHYGHZHKVOUBSC-OCCSQVGLSA-N 1 2 336.440 1.065 20 30 EDEDLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329240029 444510013 /nfs/dbraw/zinc/51/00/13/444510013.db2.gz QSNGZPJSJQOINO-MRVWCRGKSA-N 1 2 349.435 1.756 20 30 EDEDLO COCc1nc([C@H]2COCCN2C(=O)Nc2ccc(C)[nH+]c2C)no1 ZINC000329250085 444512523 /nfs/dbraw/zinc/51/25/23/444512523.db2.gz AXPRZGDGXPENHM-CYBMUJFWSA-N 1 2 347.375 1.847 20 30 EDEDLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329310301 444530904 /nfs/dbraw/zinc/53/09/04/444530904.db2.gz QUQRITQLZLRJMP-NXEZZACHSA-N 1 2 345.325 1.910 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329555788 444627567 /nfs/dbraw/zinc/62/75/67/444627567.db2.gz KQHNPPXOOVATNN-ZQIUZPCESA-N 1 2 328.416 1.961 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338320338 444630893 /nfs/dbraw/zinc/63/08/93/444630893.db2.gz LJISCFJTGXVGGX-DYVFJYSZSA-N 1 2 348.451 1.369 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338320338 444630895 /nfs/dbraw/zinc/63/08/95/444630895.db2.gz LJISCFJTGXVGGX-DYVFJYSZSA-N 1 2 348.451 1.369 20 30 EDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000329459320 444588636 /nfs/dbraw/zinc/58/86/36/444588636.db2.gz OUQSJEIWFLNRCI-MRXNPFEDSA-N 1 2 348.447 1.131 20 30 EDEDLO C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000329466667 444591024 /nfs/dbraw/zinc/59/10/24/444591024.db2.gz VQVNTEVDANYGNC-ZIAGYGMSSA-N 1 2 345.447 1.888 20 30 EDEDLO C[C@@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329471635 444594857 /nfs/dbraw/zinc/59/48/57/444594857.db2.gz ZEEKHTLVNZGQEF-CYBMUJFWSA-N 1 2 331.420 1.357 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340992185 444619729 /nfs/dbraw/zinc/61/97/29/444619729.db2.gz VNWLCLHRWYDFQV-GFCCVEGCSA-N 1 2 347.415 1.462 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340992185 444619733 /nfs/dbraw/zinc/61/97/33/444619733.db2.gz VNWLCLHRWYDFQV-GFCCVEGCSA-N 1 2 347.415 1.462 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCOc4c(F)cccc43)C[C@@H]21 ZINC000329626486 444655031 /nfs/dbraw/zinc/65/50/31/444655031.db2.gz TYRHXVVQAXPXNC-HRCADAONSA-N 1 2 349.406 1.968 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCCOc4c(F)cccc43)C[C@@H]21 ZINC000329626486 444655036 /nfs/dbraw/zinc/65/50/36/444655036.db2.gz TYRHXVVQAXPXNC-HRCADAONSA-N 1 2 349.406 1.968 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338371458 444659920 /nfs/dbraw/zinc/65/99/20/444659920.db2.gz PNLDLLAWLKXLSV-SOUVJXGZSA-N 1 2 336.457 1.751 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338371458 444659921 /nfs/dbraw/zinc/65/99/21/444659921.db2.gz PNLDLLAWLKXLSV-SOUVJXGZSA-N 1 2 336.457 1.751 20 30 EDEDLO O=C(NC[C@H]1CCCn2ccnc21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329668525 444672346 /nfs/dbraw/zinc/67/23/46/444672346.db2.gz RAONKGUQAGNVNQ-CVEARBPZSA-N 1 2 347.463 1.471 20 30 EDEDLO C[C@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)n1cnc(C#N)n1 ZINC000342394010 444673162 /nfs/dbraw/zinc/67/31/62/444673162.db2.gz WGVRGJCYMKNBKF-CQSZACIVSA-N 1 2 349.398 1.314 20 30 EDEDLO C[N@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)[C@]1(CO)CCOC1 ZINC000329677402 444676108 /nfs/dbraw/zinc/67/61/08/444676108.db2.gz VEEKJNQHXDKJFB-SFHVURJKSA-N 1 2 348.447 1.743 20 30 EDEDLO C[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)[C@]1(CO)CCOC1 ZINC000329677402 444676110 /nfs/dbraw/zinc/67/61/10/444676110.db2.gz VEEKJNQHXDKJFB-SFHVURJKSA-N 1 2 348.447 1.743 20 30 EDEDLO CC(C)[C@H](CNC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC000329610488 444647714 /nfs/dbraw/zinc/64/77/14/444647714.db2.gz RETMYOBEZQGOAD-AIXCCZOISA-N 1 2 345.509 1.099 20 30 EDEDLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CCCS(=O)(=O)C3)cn21 ZINC000329770743 444710449 /nfs/dbraw/zinc/71/04/49/444710449.db2.gz GHNGOTRRHDWUSL-GFCCVEGCSA-N 1 2 336.417 1.224 20 30 EDEDLO COCC1(C#N)CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000341178779 444713092 /nfs/dbraw/zinc/71/30/92/444713092.db2.gz BHMYFWIRGNRKBA-UHFFFAOYSA-N 1 2 331.420 1.681 20 30 EDEDLO C[C@@H]1CCN(C([O-])=[NH+]Cc2nnc3n2CCC3)C[C@@H]1n1cc[nH+]c1 ZINC000329902893 444759884 /nfs/dbraw/zinc/75/98/84/444759884.db2.gz PRVZWWPNGXMSCQ-OLZOCXBDSA-N 1 2 329.408 1.418 20 30 EDEDLO C[C@@H]1CCN(C(=O)NCc2nnc3n2CCC3)C[C@@H]1n1cc[nH+]c1 ZINC000329902893 444759889 /nfs/dbraw/zinc/75/98/89/444759889.db2.gz PRVZWWPNGXMSCQ-OLZOCXBDSA-N 1 2 329.408 1.418 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2C=CCCC2)cn1 ZINC000329902430 444760481 /nfs/dbraw/zinc/76/04/81/444760481.db2.gz HQLSRFORKKYDAG-XHSDSOJGSA-N 1 2 335.427 1.945 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2C=CCCC2)cn1 ZINC000329902430 444760483 /nfs/dbraw/zinc/76/04/83/444760483.db2.gz HQLSRFORKKYDAG-XHSDSOJGSA-N 1 2 335.427 1.945 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]21 ZINC000329914517 444767266 /nfs/dbraw/zinc/76/72/66/444767266.db2.gz CMPYOONDDIWWJD-HOTGVXAUSA-N 1 2 345.447 1.632 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]21 ZINC000329914517 444767268 /nfs/dbraw/zinc/76/72/68/444767268.db2.gz CMPYOONDDIWWJD-HOTGVXAUSA-N 1 2 345.447 1.632 20 30 EDEDLO CCn1ncnc1CNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000330030930 444817958 /nfs/dbraw/zinc/81/79/58/444817958.db2.gz SHOJHCHQONTLEZ-UHFFFAOYSA-N 1 2 331.424 1.627 20 30 EDEDLO COCc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329958222 444786837 /nfs/dbraw/zinc/78/68/37/444786837.db2.gz MMYVQSVKNWJCJQ-SJORKVTESA-N 1 2 333.432 1.304 20 30 EDEDLO COCc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000329958222 444786839 /nfs/dbraw/zinc/78/68/39/444786839.db2.gz MMYVQSVKNWJCJQ-SJORKVTESA-N 1 2 333.432 1.304 20 30 EDEDLO COCc1ccccc1CNC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329958222 444786840 /nfs/dbraw/zinc/78/68/40/444786840.db2.gz MMYVQSVKNWJCJQ-SJORKVTESA-N 1 2 333.432 1.304 20 30 EDEDLO COCc1ccccc1CNC(=O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329958222 444786843 /nfs/dbraw/zinc/78/68/43/444786843.db2.gz MMYVQSVKNWJCJQ-SJORKVTESA-N 1 2 333.432 1.304 20 30 EDEDLO C[C@@H]1C[C@H](CCNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CCO1 ZINC000329964178 444789601 /nfs/dbraw/zinc/78/96/01/444789601.db2.gz QLHYOIVFBZUVIE-OAGGEKHMSA-N 1 2 349.479 1.828 20 30 EDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CC[C@@H](N2CCCC2=O)C1 ZINC000330053134 444826888 /nfs/dbraw/zinc/82/68/88/444826888.db2.gz QAIBYALXAABKKF-UONOGXRCSA-N 1 2 331.420 1.371 20 30 EDEDLO CCCN(Cc1c[nH+]c2ccc(C#N)cn12)[C@@H](COC)C(=O)OCC ZINC000342712121 444828734 /nfs/dbraw/zinc/82/87/34/444828734.db2.gz ZRXUUBLTAGAAMF-INIZCTEOSA-N 1 2 344.415 1.996 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000336881417 444829152 /nfs/dbraw/zinc/82/91/52/444829152.db2.gz AYWWDCGFUSIROH-HNNXBMFYSA-N 1 2 336.461 1.140 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000330210268 444889504 /nfs/dbraw/zinc/88/95/04/444889504.db2.gz CFVFXYQQWNDRSN-HZPDHXFCSA-N 1 2 338.496 1.618 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000330210268 444889505 /nfs/dbraw/zinc/88/95/05/444889505.db2.gz CFVFXYQQWNDRSN-HZPDHXFCSA-N 1 2 338.496 1.618 20 30 EDEDLO COCC1(C#N)CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000341560326 444894843 /nfs/dbraw/zinc/89/48/43/444894843.db2.gz FBDBOPZSWRNHDO-CABCVRRESA-N 1 2 338.452 1.057 20 30 EDEDLO C[C@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)n1cnc(C#N)n1 ZINC000337015107 444901741 /nfs/dbraw/zinc/90/17/41/444901741.db2.gz KOOHDNCPYSUBQB-ZIAGYGMSSA-N 1 2 339.403 1.011 20 30 EDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C ZINC000330244181 444904539 /nfs/dbraw/zinc/90/45/39/444904539.db2.gz CYLZKLNXOKEIPH-TUVASFSCSA-N 1 2 345.509 1.733 20 30 EDEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H]1C ZINC000330244181 444904541 /nfs/dbraw/zinc/90/45/41/444904541.db2.gz CYLZKLNXOKEIPH-TUVASFSCSA-N 1 2 345.509 1.733 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000330368820 444955083 /nfs/dbraw/zinc/95/50/83/444955083.db2.gz AMIQVZQRLJSNTA-CYBMUJFWSA-N 1 2 342.490 1.202 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000330500389 445007706 /nfs/dbraw/zinc/00/77/06/445007706.db2.gz OODFGXQBTDXVGG-LPHOPBHVSA-N 1 2 343.475 1.955 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337268880 445010354 /nfs/dbraw/zinc/01/03/54/445010354.db2.gz LBIFHLZSXOSGGN-ZDUSSCGKSA-N 1 2 327.787 1.864 20 30 EDEDLO COC[C@H]1C[N@H+](CC(=O)NC(=O)NC2CCCCC2)CC(C)(C)O1 ZINC000330511389 445011800 /nfs/dbraw/zinc/01/18/00/445011800.db2.gz BSBHFUJJBQAJIE-CQSZACIVSA-N 1 2 341.452 1.475 20 30 EDEDLO COC[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCCC2)CC(C)(C)O1 ZINC000330511389 445011805 /nfs/dbraw/zinc/01/18/05/445011805.db2.gz BSBHFUJJBQAJIE-CQSZACIVSA-N 1 2 341.452 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/nfs/dbraw/zinc/23/02/08/445230208.db2.gz CQTFOFTZCSNAOO-CJNGLKHVSA-N 1 2 349.456 1.072 20 30 EDEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000347689390 445244964 /nfs/dbraw/zinc/24/49/64/445244964.db2.gz LHDXYTUAILDEAG-CJNGLKHVSA-N 1 2 326.400 1.799 20 30 EDEDLO N#C[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000347696650 445245229 /nfs/dbraw/zinc/24/52/29/445245229.db2.gz CALSBKWSWFZABK-AEFFLSMTSA-N 1 2 342.443 1.739 20 30 EDEDLO COc1cc[nH+]cc1NC(=O)C(=O)NCc1ccc(C#N)c(OC)c1 ZINC000354667530 445332765 /nfs/dbraw/zinc/33/27/65/445332765.db2.gz GZUVDWFCSOGTLJ-UHFFFAOYSA-N 1 2 340.339 1.225 20 30 EDEDLO Cn1ncc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)c1C#N ZINC000354776051 445381684 /nfs/dbraw/zinc/38/16/84/445381684.db2.gz CACFRMBOZPSTCW-UHFFFAOYSA-N 1 2 325.372 1.376 20 30 EDEDLO C[C@@](O)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000362461054 445393813 /nfs/dbraw/zinc/39/38/13/445393813.db2.gz QOVSMAWGYAIDFD-IBGZPJMESA-N 1 2 327.428 1.754 20 30 EDEDLO 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336.396 1.755 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)CCn3cc[nH+]c3)C2=O)cc1 ZINC000356307061 445727856 /nfs/dbraw/zinc/72/78/56/445727856.db2.gz YNGVUWAOGLKYJU-INIZCTEOSA-N 1 2 337.383 1.457 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)CCC1 ZINC000363907031 445883759 /nfs/dbraw/zinc/88/37/59/445883759.db2.gz HJKDBYZXUGIRSZ-UHFFFAOYSA-N 1 2 340.427 1.397 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)CCC1 ZINC000363907031 445883761 /nfs/dbraw/zinc/88/37/61/445883761.db2.gz HJKDBYZXUGIRSZ-UHFFFAOYSA-N 1 2 340.427 1.397 20 30 EDEDLO N#C[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@]12C(=O)Nc1ccccc12 ZINC000364677014 445943773 /nfs/dbraw/zinc/94/37/73/445943773.db2.gz NJFBOKDWMUUGBB-UEKVPHQBSA-N 1 2 339.317 1.645 20 30 EDEDLO N#C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@]12C(=O)Nc1ccccc12 ZINC000364677014 445943776 /nfs/dbraw/zinc/94/37/76/445943776.db2.gz NJFBOKDWMUUGBB-UEKVPHQBSA-N 1 2 339.317 1.645 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cccc(C)c2)CC1 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347.484 1.399 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)nc1 ZINC000365046082 445990743 /nfs/dbraw/zinc/99/07/43/445990743.db2.gz ABXQIMNRKNZOHW-HNNXBMFYSA-N 1 2 336.399 1.061 20 30 EDEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000369140411 445950257 /nfs/dbraw/zinc/95/02/57/445950257.db2.gz RXYHBGFXNSBRND-QGZVFWFLSA-N 1 2 342.443 1.354 20 30 EDEDLO CNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000369140411 445950262 /nfs/dbraw/zinc/95/02/62/445950262.db2.gz RXYHBGFXNSBRND-QGZVFWFLSA-N 1 2 342.443 1.354 20 30 EDEDLO C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000356810186 446040497 /nfs/dbraw/zinc/04/04/97/446040497.db2.gz FQSSTIOCMRHRID-KSSFIOAISA-N 1 2 342.443 1.559 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000583436547 326072736 /nfs/dbraw/zinc/07/27/36/326072736.db2.gz NFDSPGDFJOEBIK-UHFFFAOYSA-N 1 2 345.424 1.989 20 30 EDEDLO N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000583633553 326108703 /nfs/dbraw/zinc/10/87/03/326108703.db2.gz LAVQHHBRESUPAD-OAHLLOKOSA-N 1 2 336.399 1.061 20 30 EDEDLO Cc1ccc2[nH+]c(CNS(=O)(=O)c3cccnc3C#N)cn2c1 ZINC000356900159 446106588 /nfs/dbraw/zinc/10/65/88/446106588.db2.gz YIZVNKPKILBKNL-UHFFFAOYSA-N 1 2 327.369 1.388 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3ncccn3)CC2)cc1 ZINC000365257891 446107885 /nfs/dbraw/zinc/10/78/85/446107885.db2.gz AYTAUTYNRFOHGV-UHFFFAOYSA-N 1 2 336.399 1.499 20 30 EDEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(c3ncccn3)CC2)cc1 ZINC000365257891 446107891 /nfs/dbraw/zinc/10/78/91/446107891.db2.gz AYTAUTYNRFOHGV-UHFFFAOYSA-N 1 2 336.399 1.499 20 30 EDEDLO C#CCOc1ccccc1C[NH+]1CC(n2cc(C(C)(C)O)nn2)C1 ZINC000369853416 446160271 /nfs/dbraw/zinc/16/02/71/446160271.db2.gz QVDXNAVYJANAOE-UHFFFAOYSA-N 1 2 326.400 1.574 20 30 EDEDLO C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370293246 446217593 /nfs/dbraw/zinc/21/75/93/446217593.db2.gz DHNSKKYYUSQVSK-AWEZNQCLSA-N 1 2 336.399 1.756 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370546688 446326604 /nfs/dbraw/zinc/32/66/04/446326604.db2.gz MRFRVTJDGXWXEL-UONOGXRCSA-N 1 2 349.456 1.788 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370546688 446326606 /nfs/dbraw/zinc/32/66/06/446326606.db2.gz MRFRVTJDGXWXEL-UONOGXRCSA-N 1 2 349.456 1.788 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c1C ZINC000366793756 446355454 /nfs/dbraw/zinc/35/54/54/446355454.db2.gz VEALCMAWHHVLPP-NVXWUHKLSA-N 1 2 331.416 1.063 20 30 EDEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c1C ZINC000366793756 446355455 /nfs/dbraw/zinc/35/54/55/446355455.db2.gz VEALCMAWHHVLPP-NVXWUHKLSA-N 1 2 331.416 1.063 20 30 EDEDLO CN(CCC#N)S(=O)(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000432269200 446457856 /nfs/dbraw/zinc/45/78/56/446457856.db2.gz IYBKKUDIPLGRQH-CQSZACIVSA-N 1 2 333.417 1.521 20 30 EDEDLO C[C@H]1CCN(c2cc(S(N)(=O)=O)ccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000376397426 446474042 /nfs/dbraw/zinc/47/40/42/446474042.db2.gz RRLIKFMTZXBDPG-BLLLJJGKSA-N 1 2 345.428 1.490 20 30 EDEDLO C[C@@H]1CCN(c2cc(S(N)(=O)=O)ccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000376397429 446474324 /nfs/dbraw/zinc/47/43/24/446474324.db2.gz RRLIKFMTZXBDPG-WBMJQRKESA-N 1 2 345.428 1.490 20 30 EDEDLO CCOCC[NH+]1CCN(C(=O)[C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000375044104 446539176 /nfs/dbraw/zinc/53/91/76/446539176.db2.gz XROGKFIKLHDLGL-HXUWFJFHSA-N 1 2 341.455 1.866 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)C2 ZINC000371016049 446576548 /nfs/dbraw/zinc/57/65/48/446576548.db2.gz DOLLGJVQKKZANM-UHFFFAOYSA-N 1 2 341.346 1.492 20 30 EDEDLO Cc1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1C#N ZINC000375528193 446874621 /nfs/dbraw/zinc/87/46/21/446874621.db2.gz JXPGSAHUAAPZNN-RHSMWYFYSA-N 1 2 337.383 1.350 20 30 EDEDLO C=CCN(CC(=O)OCC)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371468627 446875564 /nfs/dbraw/zinc/87/55/64/446875564.db2.gz JJJNVLUQRWGJBU-OAHLLOKOSA-N 1 2 331.416 1.876 20 30 EDEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)NCc2cccnc2)CC1 ZINC000368515752 446913337 /nfs/dbraw/zinc/91/33/37/446913337.db2.gz WHPGAKCMWLSXOT-UHFFFAOYSA-N 1 2 335.411 1.650 20 30 EDEDLO C#CCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377122733 446936394 /nfs/dbraw/zinc/93/63/94/446936394.db2.gz JLWBGTNHIACDIC-INIZCTEOSA-N 1 2 349.475 1.944 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368577596 446955144 /nfs/dbraw/zinc/95/51/44/446955144.db2.gz WJUVTASUAKNQTO-QGZVFWFLSA-N 1 2 343.427 1.780 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368577596 446955146 /nfs/dbraw/zinc/95/51/46/446955146.db2.gz WJUVTASUAKNQTO-QGZVFWFLSA-N 1 2 343.427 1.780 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](C2(C(N)=O)CCCC2)CC1)OCC ZINC000372305731 447037545 /nfs/dbraw/zinc/03/75/45/447037545.db2.gz VEDJHPJLIVYWRS-HNNXBMFYSA-N 1 2 337.464 1.300 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1 ZINC000377311904 447058498 /nfs/dbraw/zinc/05/84/98/447058498.db2.gz SICGWOGESIVTMC-IRXDYDNUSA-N 1 2 349.456 1.231 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc1 ZINC000377311904 447058506 /nfs/dbraw/zinc/05/85/06/447058506.db2.gz SICGWOGESIVTMC-IRXDYDNUSA-N 1 2 349.456 1.231 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)c(C(C)=O)c1 ZINC000414153496 447277948 /nfs/dbraw/zinc/27/79/48/447277948.db2.gz SCDDQKKKHZCXPR-CQSZACIVSA-N 1 2 334.372 1.261 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)c(C(C)=O)c1 ZINC000414153496 447277956 /nfs/dbraw/zinc/27/79/56/447277956.db2.gz SCDDQKKKHZCXPR-CQSZACIVSA-N 1 2 334.372 1.261 20 30 EDEDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(C#N)c(C)n2)CC1 ZINC000456909958 447483659 /nfs/dbraw/zinc/48/36/59/447483659.db2.gz ZLHQIQMHPGTYNY-UHFFFAOYSA-N 1 2 329.448 1.408 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)C(=O)NCCc1cn(C)c[nH+]1 ZINC000422472094 447579840 /nfs/dbraw/zinc/57/98/40/447579840.db2.gz BWCSNWZRYACKCC-UHFFFAOYSA-N 1 2 332.429 1.355 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1Nc1nc2cc(OC)c(OC)cc2c(N)[nH+]1 ZINC000450811361 447585204 /nfs/dbraw/zinc/58/52/04/447585204.db2.gz ZYJMHACSECKTJI-YPMHNXCESA-N 1 2 330.388 1.797 20 30 EDEDLO C=CCC[C@H](CO)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000457518872 447585471 /nfs/dbraw/zinc/58/54/71/447585471.db2.gz DZQBLCRXDYTWIV-QZTJIDSGSA-N 1 2 347.459 1.686 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000427044080 447534572 /nfs/dbraw/zinc/53/45/72/447534572.db2.gz KYDWXURCAWMJMG-CQSZACIVSA-N 1 2 340.383 1.518 20 30 EDEDLO CC#CCN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000457664932 447613859 /nfs/dbraw/zinc/61/38/59/447613859.db2.gz SZGVCEATFZUTLX-GASCZTMLSA-N 1 2 330.432 1.860 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408349855 447653048 /nfs/dbraw/zinc/65/30/48/447653048.db2.gz UZNAVSZSOSHAPZ-FHLIZLRMSA-N 1 2 337.464 1.699 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000408349855 447653053 /nfs/dbraw/zinc/65/30/53/447653053.db2.gz UZNAVSZSOSHAPZ-FHLIZLRMSA-N 1 2 337.464 1.699 20 30 EDEDLO C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1cncc(C#N)n1 ZINC000495939897 447658647 /nfs/dbraw/zinc/65/86/47/447658647.db2.gz IWHFLWOUKLLRJA-ZDUSSCGKSA-N 1 2 332.408 1.311 20 30 EDEDLO C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNc1cncc(C#N)n1 ZINC000495939897 447658652 /nfs/dbraw/zinc/65/86/52/447658652.db2.gz IWHFLWOUKLLRJA-ZDUSSCGKSA-N 1 2 332.408 1.311 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000459503719 447690984 /nfs/dbraw/zinc/69/09/84/447690984.db2.gz CNOZGQOZQARQCD-LBPRGKRZSA-N 1 2 337.445 1.347 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429557509 447751104 /nfs/dbraw/zinc/75/11/04/447751104.db2.gz CAJWZSBYHBYOGK-YAEBDLLGSA-N 1 2 337.485 1.998 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000429557509 447751107 /nfs/dbraw/zinc/75/11/07/447751107.db2.gz CAJWZSBYHBYOGK-YAEBDLLGSA-N 1 2 337.485 1.998 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@](C)(CC(=O)OC)c1ccccn1 ZINC000429674606 447755007 /nfs/dbraw/zinc/75/50/07/447755007.db2.gz KTLJIFQKHVFNHA-KDOFPFPSSA-N 1 2 346.431 1.458 20 30 EDEDLO C=CCN(C)CC[N@@H+](CC)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000429727925 447756249 /nfs/dbraw/zinc/75/62/49/447756249.db2.gz WEWSAUDKTIFJQU-UHFFFAOYSA-N 1 2 339.505 1.877 20 30 EDEDLO C=CCN(C)CC[N@H+](CC)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000429727925 447756251 /nfs/dbraw/zinc/75/62/51/447756251.db2.gz WEWSAUDKTIFJQU-UHFFFAOYSA-N 1 2 339.505 1.877 20 30 EDEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000451879160 447772531 /nfs/dbraw/zinc/77/25/31/447772531.db2.gz PMLJEBAEBBPTPM-DOMZBBRYSA-N 1 2 346.397 1.611 20 30 EDEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000451879160 447772534 /nfs/dbraw/zinc/77/25/34/447772534.db2.gz PMLJEBAEBBPTPM-DOMZBBRYSA-N 1 2 346.397 1.611 20 30 EDEDLO C=CCn1cc(CNC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)nn1 ZINC000570157378 447954406 /nfs/dbraw/zinc/95/44/06/447954406.db2.gz BVVAUUAXWZVLHR-ZDUSSCGKSA-N 1 2 329.408 1.490 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2ccccc2C(C)=O)CC1 ZINC000491203776 447955491 /nfs/dbraw/zinc/95/54/91/447955491.db2.gz YYEAKMGTFQYFCR-UHFFFAOYSA-N 1 2 341.411 1.289 20 30 EDEDLO C=C(Cl)CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000496811360 447931843 /nfs/dbraw/zinc/93/18/43/447931843.db2.gz UBSOMZIPASZSCP-GFCCVEGCSA-N 1 2 346.859 1.589 20 30 EDEDLO C=C(Cl)CNC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000496811360 447931846 /nfs/dbraw/zinc/93/18/46/447931846.db2.gz UBSOMZIPASZSCP-GFCCVEGCSA-N 1 2 346.859 1.589 20 30 EDEDLO C#C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000491340004 448000084 /nfs/dbraw/zinc/00/00/84/448000084.db2.gz USFCFKJELIMEJP-ZQIUZPCESA-N 1 2 333.407 1.908 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cnc2ccsc2c1 ZINC000525157426 447970206 /nfs/dbraw/zinc/97/02/06/447970206.db2.gz LXCIZQKOXUSSQB-UHFFFAOYSA-N 1 2 344.440 1.984 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cn3cccc(C#N)c3=O)[C@@H]2C1 ZINC000496854570 447972075 /nfs/dbraw/zinc/97/20/75/447972075.db2.gz GLHOORFASJVUIW-LSDHHAIUSA-N 1 2 344.415 1.619 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cn3cccc(C#N)c3=O)[C@@H]2C1 ZINC000496854570 447972080 /nfs/dbraw/zinc/97/20/80/447972080.db2.gz GLHOORFASJVUIW-LSDHHAIUSA-N 1 2 344.415 1.619 20 30 EDEDLO C#CCNc1nc(N2CCC[C@H](F)C2)nc(N2CCC[C@H](F)C2)[nH+]1 ZINC000491438214 448028575 /nfs/dbraw/zinc/02/85/75/448028575.db2.gz AORPUFYTICHOFN-STQMWFEESA-N 1 2 336.390 1.215 20 30 EDEDLO C#CCNc1nc(N2CCC[C@H](F)C2)[nH+]c(N2CCC[C@H](F)C2)n1 ZINC000491438214 448028580 /nfs/dbraw/zinc/02/85/80/448028580.db2.gz AORPUFYTICHOFN-STQMWFEESA-N 1 2 336.390 1.215 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(C(N)=O)cc2)n1 ZINC000491657466 448074691 /nfs/dbraw/zinc/07/46/91/448074691.db2.gz IXLKXSGIGAMNHZ-UHFFFAOYSA-N 1 2 326.400 1.264 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(C(N)=O)cc2)n1 ZINC000491657466 448074694 /nfs/dbraw/zinc/07/46/94/448074694.db2.gz IXLKXSGIGAMNHZ-UHFFFAOYSA-N 1 2 326.400 1.264 20 30 EDEDLO COc1cc(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)ccc1C#N ZINC000571010875 448094701 /nfs/dbraw/zinc/09/47/01/448094701.db2.gz KRYYVJQKXHPIBH-UHFFFAOYSA-N 1 2 349.350 1.469 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000491747124 448102183 /nfs/dbraw/zinc/10/21/83/448102183.db2.gz CHPGWTZGNPMJEF-LSDHHAIUSA-N 1 2 334.489 1.748 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000526112580 448102164 /nfs/dbraw/zinc/10/21/64/448102164.db2.gz CXLXUKCZEATGFC-LLVKDONJSA-N 1 2 327.388 1.828 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cnn(C)c2-c2ccccc2)CC1 ZINC000491617498 448066268 /nfs/dbraw/zinc/06/62/68/448066268.db2.gz KJWPYBQGLSHMJA-UHFFFAOYSA-N 1 2 337.427 1.276 20 30 EDEDLO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)C1 ZINC000531353415 448068522 /nfs/dbraw/zinc/06/85/22/448068522.db2.gz YNVRAPIYAJIAKJ-CHWSQXEVSA-N 1 2 343.305 1.597 20 30 EDEDLO C[N@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)C1 ZINC000531353415 448068526 /nfs/dbraw/zinc/06/85/26/448068526.db2.gz YNVRAPIYAJIAKJ-CHWSQXEVSA-N 1 2 343.305 1.597 20 30 EDEDLO CC(C)c1nnc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[nH]1 ZINC000514600783 448170339 /nfs/dbraw/zinc/17/03/39/448170339.db2.gz ZCKHQYUBMOFGSX-UHFFFAOYSA-N 1 2 333.417 1.363 20 30 EDEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC3(C#N)CCC3)CC2)C1 ZINC000582706811 448314270 /nfs/dbraw/zinc/31/42/70/448314270.db2.gz ULPIMYVOGSHDEQ-CALCHBBNSA-N 1 2 332.492 1.802 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000582617915 448293900 /nfs/dbraw/zinc/29/39/00/448293900.db2.gz ZVIOYHZRYHFGEA-AWEZNQCLSA-N 1 2 342.447 1.058 20 30 EDEDLO Cc1cc(CNC(=O)C(=O)NCc2ccc(CC#N)cc2)cc(C)[nH+]1 ZINC000564953636 448350062 /nfs/dbraw/zinc/35/00/62/448350062.db2.gz CLJWHDLEIFCRQM-UHFFFAOYSA-N 1 2 336.395 1.697 20 30 EDEDLO C=CCCCCCNC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000565178500 448359224 /nfs/dbraw/zinc/35/92/24/448359224.db2.gz BTMDBBZFQNWSBC-OAHLLOKOSA-N 1 2 347.463 1.957 20 30 EDEDLO N#Cc1ccc(NC[C@H](c2cccc(F)c2)[NH+]2CCOCC2)nc1N ZINC000583273353 448429252 /nfs/dbraw/zinc/42/92/52/448429252.db2.gz ODLJUGXGOXJNFH-MRXNPFEDSA-N 1 2 341.390 2.160 20 30 EDEDLO COCC[C@H]1COCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528504239 448559274 /nfs/dbraw/zinc/55/92/74/448559274.db2.gz CWKKXQKPWWRYST-HNNXBMFYSA-N 1 2 342.395 1.023 20 30 EDEDLO COCC[C@H]1COCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528504239 448559280 /nfs/dbraw/zinc/55/92/80/448559280.db2.gz CWKKXQKPWWRYST-HNNXBMFYSA-N 1 2 342.395 1.023 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC(=O)CC12CCC2 ZINC000528519404 448567425 /nfs/dbraw/zinc/56/74/25/448567425.db2.gz CEQVAINRZRTGCE-UHFFFAOYSA-N 1 2 336.391 1.874 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC(=O)CC12CCC2 ZINC000528519404 448567432 /nfs/dbraw/zinc/56/74/32/448567432.db2.gz CEQVAINRZRTGCE-UHFFFAOYSA-N 1 2 336.391 1.874 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1ccncc1C#N ZINC000592070705 448659730 /nfs/dbraw/zinc/65/97/30/448659730.db2.gz OXPRYZYBQUUGNR-SFHVURJKSA-N 1 2 346.394 1.583 20 30 EDEDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149125 448708695 /nfs/dbraw/zinc/70/86/95/448708695.db2.gz JEFREVRGPGFXAL-ZBEGNZNMSA-N 1 2 334.351 1.213 20 30 EDEDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149125 448708698 /nfs/dbraw/zinc/70/86/98/448708698.db2.gz JEFREVRGPGFXAL-ZBEGNZNMSA-N 1 2 334.351 1.213 20 30 EDEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000592159401 448717244 /nfs/dbraw/zinc/71/72/44/448717244.db2.gz OCHRVSSVJIZRML-UHFFFAOYSA-N 1 2 335.448 1.993 20 30 EDEDLO CC#CCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000544582099 448762522 /nfs/dbraw/zinc/76/25/22/448762522.db2.gz SBLXWWJRMYOQEU-UHFFFAOYSA-N 1 2 328.416 1.040 20 30 EDEDLO N#CCc1ccc(CS(=O)(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000567775708 448758192 /nfs/dbraw/zinc/75/81/92/448758192.db2.gz SZBQFXILUOMIIK-CALCHBBNSA-N 1 2 349.456 1.035 20 30 EDEDLO N#CCc1ccc(CS(=O)(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000567775708 448758199 /nfs/dbraw/zinc/75/81/99/448758199.db2.gz SZBQFXILUOMIIK-CALCHBBNSA-N 1 2 349.456 1.035 20 30 EDEDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000592390776 448821000 /nfs/dbraw/zinc/82/10/00/448821000.db2.gz WLJGRWLWOSMILZ-OAHLLOKOSA-N 1 2 325.409 1.216 20 30 EDEDLO CC(C)(C)C[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588959946 448954291 /nfs/dbraw/zinc/95/42/91/448954291.db2.gz MYUMFGKNVGBGLS-UHFFFAOYSA-N 1 2 325.434 1.067 20 30 EDEDLO CC(C)(C)C[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588959946 448954294 /nfs/dbraw/zinc/95/42/94/448954294.db2.gz MYUMFGKNVGBGLS-UHFFFAOYSA-N 1 2 325.434 1.067 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(CC#N)c1 ZINC000529751079 448946746 /nfs/dbraw/zinc/94/67/46/448946746.db2.gz HOFJUQNBHOJFBD-LJQANCHMSA-N 1 2 343.427 1.098 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(CC#N)c1 ZINC000529751079 448946747 /nfs/dbraw/zinc/94/67/47/448946747.db2.gz HOFJUQNBHOJFBD-LJQANCHMSA-N 1 2 343.427 1.098 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000569463360 449030427 /nfs/dbraw/zinc/03/04/27/449030427.db2.gz GOVHCXVXCYVKPL-LBPRGKRZSA-N 1 2 328.372 1.244 20 30 EDEDLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1 ZINC000582363081 449076143 /nfs/dbraw/zinc/07/61/43/449076143.db2.gz HQULDIPVRKTKCC-CDHAZOANSA-N 1 2 328.416 1.855 20 30 EDEDLO CNC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595614392 449081029 /nfs/dbraw/zinc/08/10/29/449081029.db2.gz HIYJXIRAGLNKLE-WMLDXEAASA-N 1 2 328.416 1.216 20 30 EDEDLO CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595614392 449081035 /nfs/dbraw/zinc/08/10/35/449081035.db2.gz HIYJXIRAGLNKLE-WMLDXEAASA-N 1 2 328.416 1.216 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1=O ZINC000595728800 449134756 /nfs/dbraw/zinc/13/47/56/449134756.db2.gz PCJMAYAVYKGRKW-RDBSUJKOSA-N 1 2 344.440 1.326 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1=O ZINC000595728800 449134758 /nfs/dbraw/zinc/13/47/58/449134758.db2.gz PCJMAYAVYKGRKW-RDBSUJKOSA-N 1 2 344.440 1.326 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC(=O)N(C)CC1 ZINC000595775005 449158867 /nfs/dbraw/zinc/15/88/67/449158867.db2.gz YTADHRYPUPJEGE-LLVKDONJSA-N 1 2 346.456 1.600 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC(=O)N(C)CC1 ZINC000595775005 449158873 /nfs/dbraw/zinc/15/88/73/449158873.db2.gz YTADHRYPUPJEGE-LLVKDONJSA-N 1 2 346.456 1.600 20 30 EDEDLO N#Cc1sccc1N1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000597935628 449149021 /nfs/dbraw/zinc/14/90/21/449149021.db2.gz YJXKZXDYQCEIDT-ZDUSSCGKSA-N 1 2 341.440 1.727 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(CCC#N)CC1 ZINC000611173938 449199137 /nfs/dbraw/zinc/19/91/37/449199137.db2.gz RXIQJYRITKOZFP-TVRKMHQQSA-N 1 2 345.491 1.837 20 30 EDEDLO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174208 449200055 /nfs/dbraw/zinc/20/00/55/449200055.db2.gz YCKCFVHDJMSPMI-HNNXBMFYSA-N 1 2 332.423 1.876 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCN(CCC#N)CC1 ZINC000611174706 449200796 /nfs/dbraw/zinc/20/07/96/449200796.db2.gz PASRBNVRCFQVLM-NVXWUHKLSA-N 1 2 342.443 1.546 20 30 EDEDLO CCOc1cccc(CNC(=O)C[NH+]2CCN(CCC#N)CC2)c1 ZINC000611175955 449201579 /nfs/dbraw/zinc/20/15/79/449201579.db2.gz PICYWIKHGIEARL-UHFFFAOYSA-N 1 2 330.432 1.233 20 30 EDEDLO Cc1ccccc1C[C@@H](C)NC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175970 449201661 /nfs/dbraw/zinc/20/16/61/449201661.db2.gz PQOCSUKXRMFLDA-QGZVFWFLSA-N 1 2 328.460 1.574 20 30 EDEDLO C[C@@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1[nH+]ccn1C ZINC000595845440 449202802 /nfs/dbraw/zinc/20/28/02/449202802.db2.gz OALRRKQDNRZGEX-OCCSQVGLSA-N 1 2 340.387 1.611 20 30 EDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O ZINC000600144810 449213238 /nfs/dbraw/zinc/21/32/38/449213238.db2.gz OBGDPNFFMCBVTQ-BLLLJJGKSA-N 1 2 349.394 1.988 20 30 EDEDLO Cn1cc(N2CCC[C@@H]([NH2+]Cc3cccc(F)c3C#N)C2=O)cn1 ZINC000602010728 449273559 /nfs/dbraw/zinc/27/35/59/449273559.db2.gz IUXRWEJMFJYVHZ-MRXNPFEDSA-N 1 2 327.363 1.716 20 30 EDEDLO Cc1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)nn1CCC#N ZINC000611481946 449301466 /nfs/dbraw/zinc/30/14/66/449301466.db2.gz HRSXZDPBHXJQBG-CQSZACIVSA-N 1 2 327.392 2.171 20 30 EDEDLO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cccc(F)c2C#N)C1=O ZINC000602017091 449277064 /nfs/dbraw/zinc/27/70/64/449277064.db2.gz MGIBMLXUCDMKCA-OAHLLOKOSA-N 1 2 327.363 1.716 20 30 EDEDLO CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)CC(C)(C)C#N)C1 ZINC000598501349 449428636 /nfs/dbraw/zinc/42/86/36/449428636.db2.gz GBFDSDJMYJUMJK-QGZVFWFLSA-N 1 2 328.460 1.859 20 30 EDEDLO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)CC(C)(C)C#N)C1 ZINC000598501349 449428640 /nfs/dbraw/zinc/42/86/40/449428640.db2.gz GBFDSDJMYJUMJK-QGZVFWFLSA-N 1 2 328.460 1.859 20 30 EDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000594291321 449433125 /nfs/dbraw/zinc/43/31/25/449433125.db2.gz TUOXFYCMOCOXIJ-HOTGVXAUSA-N 1 2 328.460 1.489 20 30 EDEDLO Cc1onc(CO)c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594211135 449390867 /nfs/dbraw/zinc/39/08/67/449390867.db2.gz HXGPDYQXXITDHG-UHFFFAOYSA-N 1 2 340.383 1.305 20 30 EDEDLO CCO[C@@H](Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O)C1CC1 ZINC000600563967 449445332 /nfs/dbraw/zinc/44/53/32/449445332.db2.gz WHUZTNKKEPPUMN-KRWDZBQOSA-N 1 2 331.416 1.367 20 30 EDEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000598595444 449482649 /nfs/dbraw/zinc/48/26/49/449482649.db2.gz NTXROPQLQYBMFI-LSDHHAIUSA-N 1 2 349.398 1.102 20 30 EDEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000598595444 449482652 /nfs/dbraw/zinc/48/26/52/449482652.db2.gz NTXROPQLQYBMFI-LSDHHAIUSA-N 1 2 349.398 1.102 20 30 EDEDLO CCOCc1nc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2C#N)no1 ZINC000600741908 449528297 /nfs/dbraw/zinc/52/82/97/449528297.db2.gz RRIAISJIGSPCJK-JSGCOSHPSA-N 1 2 346.387 1.568 20 30 EDEDLO CC(C)n1nnnc1-c1cccc(NC[C@H](O)C[N@H+](C)CCC#N)c1 ZINC000600746090 449530339 /nfs/dbraw/zinc/53/03/39/449530339.db2.gz LCXIXGFZCFGEQF-INIZCTEOSA-N 1 2 343.435 1.539 20 30 EDEDLO CC(C)n1nnnc1-c1cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c1 ZINC000600746090 449530343 /nfs/dbraw/zinc/53/03/43/449530343.db2.gz LCXIXGFZCFGEQF-INIZCTEOSA-N 1 2 343.435 1.539 20 30 EDEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)ccn1 ZINC000598647307 449516462 /nfs/dbraw/zinc/51/64/62/449516462.db2.gz IKCUUTLQUVGNIW-UHFFFAOYSA-N 1 2 339.374 1.513 20 30 EDEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc4n(n3)CCCC4)C2=O)cc1 ZINC000594504705 449558532 /nfs/dbraw/zinc/55/85/32/449558532.db2.gz SXAABIWKFGQZAO-IBGZPJMESA-N 1 2 349.438 1.982 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H]3Cc4c[nH+]cn4C3)C2)c(F)c1 ZINC000598946986 449664196 /nfs/dbraw/zinc/66/41/96/449664196.db2.gz KGKVRVFRNXYDHO-ZIAGYGMSSA-N 1 2 339.374 1.461 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598947315 449666267 /nfs/dbraw/zinc/66/62/67/449666267.db2.gz KXLXRDZSQSKRAJ-ZDUSSCGKSA-N 1 2 326.356 1.273 20 30 EDEDLO N#CCc1ccccc1S(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000601302503 449813614 /nfs/dbraw/zinc/81/36/14/449813614.db2.gz NPYVXCMNUYRJHE-UHFFFAOYSA-N 1 2 344.440 1.806 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cnn4c3CCC4)CC2)c1C#N ZINC000597106677 449817618 /nfs/dbraw/zinc/81/76/18/449817618.db2.gz AUMIBUSDVOJOOV-UHFFFAOYSA-N 1 2 325.420 1.065 20 30 EDEDLO N#CCCN1CC[NH+]([C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000601316850 449826804 /nfs/dbraw/zinc/82/68/04/449826804.db2.gz RCIXGFUIHUATDL-KRWDZBQOSA-N 1 2 348.472 1.243 20 30 EDEDLO N#CCc1ccccc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000601319208 449827915 /nfs/dbraw/zinc/82/79/15/449827915.db2.gz JEQRBYBPDOUWNH-QGZVFWFLSA-N 1 2 343.427 1.316 20 30 EDEDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC2 ZINC000599248036 449830024 /nfs/dbraw/zinc/83/00/24/449830024.db2.gz KMDJAAZLIREGJJ-HOTGVXAUSA-N 1 2 329.448 1.446 20 30 EDEDLO Cc1cn2ccc(NC(=O)C(=O)N(C[C@@H](C)C#N)C3CC3)cc2[nH+]1 ZINC000595030533 449844752 /nfs/dbraw/zinc/84/47/52/449844752.db2.gz CDSLXASJGSYRPI-NSHDSACASA-N 1 2 325.372 1.732 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H](C)N1CC#N ZINC000602855296 449863030 /nfs/dbraw/zinc/86/30/30/449863030.db2.gz GBMVVTLUVZSSKU-ZIAGYGMSSA-N 1 2 344.415 1.314 20 30 EDEDLO CCOc1cccc(CNC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602859363 449867643 /nfs/dbraw/zinc/86/76/43/449867643.db2.gz FZUPISGVQWFUFI-HZPDHXFCSA-N 1 2 344.459 1.620 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccccc3C2)C[C@H](C)N1CC#N ZINC000602858663 449868390 /nfs/dbraw/zinc/86/83/90/449868390.db2.gz CNQORHCKNOAYNY-IYBDPMFKSA-N 1 2 326.444 1.489 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccccc3C2)C[C@H](C)N1CC#N ZINC000602858663 449868392 /nfs/dbraw/zinc/86/83/92/449868392.db2.gz CNQORHCKNOAYNY-IYBDPMFKSA-N 1 2 326.444 1.489 20 30 EDEDLO C[C@@H]1C[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)C[C@@H](C)N1CC#N ZINC000602866683 449876665 /nfs/dbraw/zinc/87/66/65/449876665.db2.gz WZMNOZYJQATKRJ-IIDMSEBBSA-N 1 2 326.444 1.924 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH2+][C@@H](C)CC#N ZINC000602867481 449878074 /nfs/dbraw/zinc/87/80/74/449878074.db2.gz CMLIJQAYSVRXFR-ZDUSSCGKSA-N 1 2 325.416 1.997 20 30 EDEDLO N#Cc1ccc(OCC[NH+]2CCN(CC(F)(F)CO)CC2)cc1 ZINC000602875563 449884411 /nfs/dbraw/zinc/88/44/11/449884411.db2.gz PULHXWPSRPQMRL-UHFFFAOYSA-N 1 2 325.359 1.182 20 30 EDEDLO CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000597228935 449884701 /nfs/dbraw/zinc/88/47/01/449884701.db2.gz ISNDZKDNMJRDKQ-SFHVURJKSA-N 1 2 331.416 1.946 20 30 EDEDLO CCNC(=O)COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1OC ZINC000597228935 449884709 /nfs/dbraw/zinc/88/47/09/449884709.db2.gz ISNDZKDNMJRDKQ-SFHVURJKSA-N 1 2 331.416 1.946 20 30 EDEDLO C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](C)(C#N)C2)C[C@@H]1n1cc[nH+]c1 ZINC000595173449 449922390 /nfs/dbraw/zinc/92/23/90/449922390.db2.gz SKMCPNURZNYJTP-JKIFEVAISA-N 1 2 329.404 1.055 20 30 EDEDLO CC(C)n1cnnc1C[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599426924 449968103 /nfs/dbraw/zinc/96/81/03/449968103.db2.gz VWZKAUPABGMAOT-OAHLLOKOSA-N 1 2 329.404 1.602 20 30 EDEDLO CC(C)n1cnnc1C[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599426924 449968105 /nfs/dbraw/zinc/96/81/05/449968105.db2.gz VWZKAUPABGMAOT-OAHLLOKOSA-N 1 2 329.404 1.602 20 30 EDEDLO COC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc1 ZINC000599444069 449978993 /nfs/dbraw/zinc/97/89/93/449978993.db2.gz PJWGCTGXCQCZCJ-FZKQIMNGSA-N 1 2 346.431 1.743 20 30 EDEDLO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc1 ZINC000599444069 449979000 /nfs/dbraw/zinc/97/90/00/449979000.db2.gz PJWGCTGXCQCZCJ-FZKQIMNGSA-N 1 2 346.431 1.743 20 30 EDEDLO COC(=O)C12CCC(CC1)[N@@H+]2C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000602984389 449981717 /nfs/dbraw/zinc/98/17/17/449981717.db2.gz KTEJCZFVOYZPSH-KOHRHEQBSA-N 1 2 344.411 1.662 20 30 EDEDLO COC(=O)C12CCC(CC1)[N@H+]2C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000602984389 449981723 /nfs/dbraw/zinc/98/17/23/449981723.db2.gz KTEJCZFVOYZPSH-KOHRHEQBSA-N 1 2 344.411 1.662 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000595288173 450003261 /nfs/dbraw/zinc/00/32/61/450003261.db2.gz LAEUZOJHFZJJJC-USXIJHARSA-N 1 2 339.443 1.523 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000615435362 450097188 /nfs/dbraw/zinc/09/71/88/450097188.db2.gz IWDZWKLOCLLGKA-MRXNPFEDSA-N 1 2 329.400 1.447 20 30 EDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000615435362 450097190 /nfs/dbraw/zinc/09/71/90/450097190.db2.gz IWDZWKLOCLLGKA-MRXNPFEDSA-N 1 2 329.400 1.447 20 30 EDEDLO CCc1[nH+]c(C(C)C)ccc1Cn1cc(CNC(=O)CC#N)nn1 ZINC000603237866 450166694 /nfs/dbraw/zinc/16/66/94/450166694.db2.gz ZDPJHCBULASCSD-UHFFFAOYSA-N 1 2 326.404 1.937 20 30 EDEDLO Cn1cc[nH+]c1C[C@H](NS(=O)(=O)CCCC#N)c1ccccc1 ZINC000610268882 450176504 /nfs/dbraw/zinc/17/65/04/450176504.db2.gz NCWRNDJWBWUMGQ-HNNXBMFYSA-N 1 2 332.429 1.927 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)[C@H](C(=O)OC)C1 ZINC000595431526 450138443 /nfs/dbraw/zinc/13/84/43/450138443.db2.gz QXBLWUOGEIMLNO-CVEARBPZSA-N 1 2 330.384 1.527 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)[C@H](C(=O)OC)C1 ZINC000595431526 450138446 /nfs/dbraw/zinc/13/84/46/450138446.db2.gz QXBLWUOGEIMLNO-CVEARBPZSA-N 1 2 330.384 1.527 20 30 EDEDLO Cc1nc(N2CC[C@H](N(C)c3cccc(C#N)c3)C2)nc(N(C)C)[nH+]1 ZINC000603402201 450282859 /nfs/dbraw/zinc/28/28/59/450282859.db2.gz CBUNUNVBVATRLK-INIZCTEOSA-N 1 2 337.431 1.833 20 30 EDEDLO Cc1nc(N(C)C)nc(N2CC[C@H](N(C)c3cccc(C#N)c3)C2)[nH+]1 ZINC000603402201 450282866 /nfs/dbraw/zinc/28/28/66/450282866.db2.gz CBUNUNVBVATRLK-INIZCTEOSA-N 1 2 337.431 1.833 20 30 EDEDLO C[C@@H](C(=O)N1CC[C@@](F)(C#N)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000615823269 450252312 /nfs/dbraw/zinc/25/23/12/450252312.db2.gz BFYOOKILLSADTE-KBXCAEBGSA-N 1 2 348.397 1.800 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1C#N ZINC000610533581 450255855 /nfs/dbraw/zinc/25/58/55/450255855.db2.gz HRDORWNNVPPARJ-AWEZNQCLSA-N 1 2 337.383 1.865 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC000610563543 450262450 /nfs/dbraw/zinc/26/24/50/450262450.db2.gz ALEVOUWIDUENDY-ZDUSSCGKSA-N 1 2 348.357 1.994 20 30 EDEDLO N#Cc1ccc(C(=O)N[C@@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000603409607 450287095 /nfs/dbraw/zinc/28/70/95/450287095.db2.gz PCNHXFDRYQFXBJ-CQSZACIVSA-N 1 2 348.472 1.146 20 30 EDEDLO CC[C@@H](CC#N)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000613855709 450338506 /nfs/dbraw/zinc/33/85/06/450338506.db2.gz GGVDWFVHVRGPMG-AWEZNQCLSA-N 1 2 343.431 1.888 20 30 EDEDLO C[C@@H]1C[NH+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H](C)S1=O ZINC000616822437 450491928 /nfs/dbraw/zinc/49/19/28/450491928.db2.gz YZPFVKFHXMLXBK-FMKPAKJESA-N 1 2 336.457 1.334 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)N[C@@H](C#N)C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000619519700 450498921 /nfs/dbraw/zinc/49/89/21/450498921.db2.gz FNAMBRXGRVVMML-JKIFEVAISA-N 1 2 343.431 1.528 20 30 EDEDLO C[C@@H](C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)n1cnc(C#N)n1 ZINC000619594895 450513911 /nfs/dbraw/zinc/51/39/11/450513911.db2.gz JKVIKNZCWCJBGT-ZFWWWQNUSA-N 1 2 349.398 1.544 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000623821376 450602674 /nfs/dbraw/zinc/60/26/74/450602674.db2.gz PSXYLLJCUGYKLJ-UHFFFAOYSA-N 1 2 345.378 1.300 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000632662717 451498688 /nfs/dbraw/zinc/49/86/88/451498688.db2.gz IRGQYSUOQIBYJF-OAHLLOKOSA-N 1 2 337.464 1.028 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCCc2ccccc2)nn1 ZINC000640772467 451571915 /nfs/dbraw/zinc/57/19/15/451571915.db2.gz YQGSZOXGTJBQRC-UHFFFAOYSA-N 1 2 325.416 1.140 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCCc2ccccc2)nn1 ZINC000640881704 451670853 /nfs/dbraw/zinc/67/08/53/451670853.db2.gz RURRUHPBZAHZSM-HNNXBMFYSA-N 1 2 325.416 1.311 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H]2CCCN(c3cccc(F)c3)C2=O)nn1 ZINC000641056675 451742772 /nfs/dbraw/zinc/74/27/72/451742772.db2.gz FWVYLAYRTIGBFC-KRWDZBQOSA-N 1 2 341.390 1.898 20 30 EDEDLO C=CCN(CC=C)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000637528901 451928199 /nfs/dbraw/zinc/92/81/99/451928199.db2.gz PCLFXTJWHLUJKD-QGZVFWFLSA-N 1 2 330.432 1.666 20 30 EDEDLO C=CCN(CC=C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000637528901 451928203 /nfs/dbraw/zinc/92/82/03/451928203.db2.gz PCLFXTJWHLUJKD-QGZVFWFLSA-N 1 2 330.432 1.666 20 30 EDEDLO C=CCn1cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)nn1 ZINC000644785893 451989988 /nfs/dbraw/zinc/98/99/88/451989988.db2.gz ZGOUOXLVZTYLDP-MRXNPFEDSA-N 1 2 326.404 1.140 20 30 EDEDLO C=CCn1cc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)nn1 ZINC000644785893 451989995 /nfs/dbraw/zinc/98/99/95/451989995.db2.gz ZGOUOXLVZTYLDP-MRXNPFEDSA-N 1 2 326.404 1.140 20 30 EDEDLO C=C(C)Cn1c([C@H]2CCO[C@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000647403106 452204386 /nfs/dbraw/zinc/20/43/86/452204386.db2.gz CVNHOLNTQZLUDV-HOTGVXAUSA-N 1 2 349.479 1.515 20 30 EDEDLO C=C[C@@](C)(O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000665823405 452399960 /nfs/dbraw/zinc/39/99/60/452399960.db2.gz FMTXNPGMKZHFEG-GOSISDBHSA-N 1 2 331.416 1.143 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314986 453057364 /nfs/dbraw/zinc/05/73/64/453057364.db2.gz BHFZSPHYSQVNQJ-YHUYYLMFSA-N 1 2 339.480 1.461 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656314986 453057373 /nfs/dbraw/zinc/05/73/73/453057373.db2.gz BHFZSPHYSQVNQJ-YHUYYLMFSA-N 1 2 339.480 1.461 20 30 EDEDLO C=CCn1cc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)nn1 ZINC000648785689 453270851 /nfs/dbraw/zinc/27/08/51/453270851.db2.gz YRZKXLHATYIUTI-CQSZACIVSA-N 1 2 326.404 1.378 20 30 EDEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000665390481 453678211 /nfs/dbraw/zinc/67/82/11/453678211.db2.gz GUXPJURVPDWFFE-CABCVRRESA-N 1 2 336.480 1.712 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)nn1 ZINC000657430978 453786065 /nfs/dbraw/zinc/78/60/65/453786065.db2.gz BBVCJBXLFRYPSQ-QGZVFWFLSA-N 1 2 340.431 1.530 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)c2ccccc21 ZINC000674497630 487267799 /nfs/dbraw/zinc/26/77/99/487267799.db2.gz IZORCCCBRXPSEL-OKILXGFUSA-N 1 2 327.384 1.165 20 30 EDEDLO N#CCCn1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)c2ccccc21 ZINC000674497630 487267801 /nfs/dbraw/zinc/26/78/01/487267801.db2.gz IZORCCCBRXPSEL-OKILXGFUSA-N 1 2 327.384 1.165 20 30 EDEDLO C=CC[NH+](CC=C)CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000052869283 487356059 /nfs/dbraw/zinc/35/60/59/487356059.db2.gz PVNASBQUYIRMRE-UHFFFAOYSA-N 1 2 343.471 1.809 20 30 EDEDLO COCC#CC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000679435146 487425138 /nfs/dbraw/zinc/42/51/38/487425138.db2.gz NFHAWOZSURSJQW-KRWDZBQOSA-N 1 2 348.468 1.493 20 30 EDEDLO COCC#CC[N@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 ZINC000679435146 487425140 /nfs/dbraw/zinc/42/51/40/487425140.db2.gz NFHAWOZSURSJQW-KRWDZBQOSA-N 1 2 348.468 1.493 20 30 EDEDLO Cc1ccc(-c2cc(CO[NH+]=C(N)CN3CCOCC3)on2)cc1 ZINC000111181505 534184365 /nfs/dbraw/zinc/18/43/65/534184365.db2.gz QANCTENKNDWPCH-UHFFFAOYSA-N 1 2 330.388 1.771 20 30 EDEDLO C=CC[N@@H+](C[C@@H](O)COc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000171748486 526330030 /nfs/dbraw/zinc/33/00/30/526330030.db2.gz IQNJLXJLWLVNDG-HZPDHXFCSA-N 1 2 339.457 1.410 20 30 EDEDLO C=CC[N@H+](C[C@@H](O)COc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000171748486 526330036 /nfs/dbraw/zinc/33/00/36/526330036.db2.gz IQNJLXJLWLVNDG-HZPDHXFCSA-N 1 2 339.457 1.410 20 30 EDEDLO C=C(C)COCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000127497430 526641814 /nfs/dbraw/zinc/64/18/14/526641814.db2.gz YHGNJLYQBNNCPC-SFHVURJKSA-N 1 2 347.459 1.779 20 30 EDEDLO C=C(C)COCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000127497430 526641819 /nfs/dbraw/zinc/64/18/19/526641819.db2.gz YHGNJLYQBNNCPC-SFHVURJKSA-N 1 2 347.459 1.779 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000127108406 526823893 /nfs/dbraw/zinc/82/38/93/526823893.db2.gz FXPBLPYBCJGWMF-UHFFFAOYSA-N 1 2 334.416 1.664 20 30 EDEDLO C#CC[NH+](CC#C)CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000174527493 526845150 /nfs/dbraw/zinc/84/51/50/526845150.db2.gz PNKIVHMERJQFSJ-UHFFFAOYSA-N 1 2 348.450 1.733 20 30 EDEDLO CCOc1cccc(/C=[NH+]/C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1O ZINC000129374000 528627454 /nfs/dbraw/zinc/62/74/54/528627454.db2.gz OYLMMMOSRCKZTI-XWDBZTJWSA-N 1 2 340.445 1.928 20 30 EDEDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073647709 535069518 /nfs/dbraw/zinc/06/95/18/535069518.db2.gz MUOPYMOVQWWRDI-AWEZNQCLSA-N 1 2 329.448 1.769 20 30 EDEDLO CCOc1ccnc(N2CCC[N@H+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000247016826 535556175 /nfs/dbraw/zinc/55/61/75/535556175.db2.gz QFMFRZPZGIHOGM-OAHLLOKOSA-N 1 2 328.420 1.831 20 30 EDEDLO CCOc1ccnc(N2CCC[N@@H+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000247016826 535556179 /nfs/dbraw/zinc/55/61/79/535556179.db2.gz QFMFRZPZGIHOGM-OAHLLOKOSA-N 1 2 328.420 1.831 20 30 EDEDLO C=CCNC(=O)NC(=O)COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000741149973 579399570 /nfs/dbraw/zinc/39/95/70/579399570.db2.gz XLMWBSWOWHOXGB-HNNXBMFYSA-N 1 2 333.388 1.234 20 30 EDEDLO C=CCNC(=O)NC(=O)COC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000741149973 579399571 /nfs/dbraw/zinc/39/95/71/579399571.db2.gz XLMWBSWOWHOXGB-HNNXBMFYSA-N 1 2 333.388 1.234 20 30 EDEDLO N#CCCNC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741348823 579412281 /nfs/dbraw/zinc/41/22/81/579412281.db2.gz AACKCWJYLOSTLV-INIZCTEOSA-N 1 2 329.400 1.614 20 30 EDEDLO N#CCCNC(=O)COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741348823 579412284 /nfs/dbraw/zinc/41/22/84/579412284.db2.gz AACKCWJYLOSTLV-INIZCTEOSA-N 1 2 329.400 1.614 20 30 EDEDLO COCCC1N=NC(=S)N1[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000743445644 579480131 /nfs/dbraw/zinc/48/01/31/579480131.db2.gz AZNYLAZMSURSRG-UHFFFAOYSA-N 1 2 347.444 1.475 20 30 EDEDLO COC(=O)N1CCC[C@H](Nc2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000726594451 578350675 /nfs/dbraw/zinc/35/06/75/578350675.db2.gz AOWSOKFCSPJZLP-NSHDSACASA-N 1 2 329.364 1.383 20 30 EDEDLO CCOCC[N@H+](CC)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000730802336 578658581 /nfs/dbraw/zinc/65/85/81/578658581.db2.gz QSIUTFCMQTZUHO-SFHVURJKSA-N 1 2 344.415 1.641 20 30 EDEDLO CCOCC[N@@H+](CC)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000730802336 578658582 /nfs/dbraw/zinc/65/85/82/578658582.db2.gz QSIUTFCMQTZUHO-SFHVURJKSA-N 1 2 344.415 1.641 20 30 EDEDLO O=S(=O)(c1ccc(N=NCc2[nH]cc[nH+]2)nc1)N1CCCCC1 ZINC000731150953 578668592 /nfs/dbraw/zinc/66/85/92/578668592.db2.gz JQYQYWNBLCWFOT-UHFFFAOYSA-N 1 2 334.405 1.425 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CN3C(=O)[C@@H]4CCCCC[C@H]43)CC2)n1 ZINC000760552295 580033568 /nfs/dbraw/zinc/03/35/68/580033568.db2.gz QCHJDWOLBXAVCY-IAGOWNOFSA-N 1 2 339.443 1.824 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000733975856 578790568 /nfs/dbraw/zinc/79/05/68/578790568.db2.gz RLPUNDRTSZQGNX-UHFFFAOYSA-N 1 2 327.247 1.831 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000734743556 578834833 /nfs/dbraw/zinc/83/48/33/578834833.db2.gz YIBMORPDNRVXIV-UHFFFAOYSA-N 1 2 329.425 1.564 20 30 EDEDLO C#CC[N@@H+](CC#CC)CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000744410607 579510073 /nfs/dbraw/zinc/51/00/73/579510073.db2.gz PHVLZICHPBTMGM-UHFFFAOYSA-N 1 2 341.455 1.740 20 30 EDEDLO C#CC[N@H+](CC#CC)CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000744410607 579510074 /nfs/dbraw/zinc/51/00/74/579510074.db2.gz PHVLZICHPBTMGM-UHFFFAOYSA-N 1 2 341.455 1.740 20 30 EDEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000746452430 579594686 /nfs/dbraw/zinc/59/46/86/579594686.db2.gz UUCUBKURHJGBEX-ZDUSSCGKSA-N 1 2 343.836 1.495 20 30 EDEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000746452430 579594687 /nfs/dbraw/zinc/59/46/87/579594687.db2.gz UUCUBKURHJGBEX-ZDUSSCGKSA-N 1 2 343.836 1.495 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000746472401 579596499 /nfs/dbraw/zinc/59/64/99/579596499.db2.gz FKXRNYFKVPWHHG-HSZRJFAPSA-N 1 2 330.457 1.307 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)Oc3ccc(Cl)cc32)CC1 ZINC000748823329 579702274 /nfs/dbraw/zinc/70/22/74/579702274.db2.gz QXXCKIQZBCKRKT-AWEZNQCLSA-N 1 2 347.846 1.705 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)S1 ZINC000749402606 579725160 /nfs/dbraw/zinc/72/51/60/579725160.db2.gz FJFBIWTYYNXRKU-ZDUSSCGKSA-N 1 2 328.441 1.736 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=C[C@@H]1CCc2ccccc21 ZINC000755498241 579928145 /nfs/dbraw/zinc/92/81/45/579928145.db2.gz FJPXPKHJIHYOLV-HNNXBMFYSA-N 1 2 332.473 1.499 20 30 EDEDLO COc1ccc(C2N=NC(=S)N2N=Cc2c[nH+]cn2C)cc1OC ZINC000755541778 579929216 /nfs/dbraw/zinc/92/92/16/579929216.db2.gz GSQOBHLAIQGWQC-UHFFFAOYSA-N 1 2 344.400 1.867 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000769319919 580233538 /nfs/dbraw/zinc/23/35/38/580233538.db2.gz FFJSJWXYEVZLGC-UHFFFAOYSA-N 1 2 345.830 1.953 20 30 EDEDLO C#C[C@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@H]1CCCO1 ZINC000773348771 580335029 /nfs/dbraw/zinc/33/50/29/580335029.db2.gz BEASLKBQINTECR-JKSUJKDBSA-N 1 2 326.400 1.665 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000775537957 580393187 /nfs/dbraw/zinc/39/31/87/580393187.db2.gz GDVMNSNEWBWQEQ-CYBMUJFWSA-N 1 2 346.456 1.896 20 30 EDEDLO C#C[C@@H](NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@H]1CCCO1 ZINC000775683865 580397193 /nfs/dbraw/zinc/39/71/93/580397193.db2.gz SUUFRFOCNYVZOY-GDBMZVCRSA-N 1 2 344.415 1.529 20 30 EDEDLO C#C[C@H]([NH2+][C@H](C)C(=O)N1CC(=O)Nc2ccccc21)[C@H]1CCCO1 ZINC000775791870 580400687 /nfs/dbraw/zinc/40/06/87/580400687.db2.gz XKKRLJWKKXIDIH-DVOMOZLQSA-N 1 2 327.384 1.131 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCCO1 ZINC000776226884 580412020 /nfs/dbraw/zinc/41/20/20/580412020.db2.gz HPUBQRXDGXWUPJ-IAGOWNOFSA-N 1 2 328.416 1.090 20 30 EDEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC[NH+]1CCOCC1 ZINC000780177651 580515373 /nfs/dbraw/zinc/51/53/73/580515373.db2.gz OBGUNIIPSVSTCD-INIZCTEOSA-N 1 2 326.393 1.123 20 30 EDEDLO COc1ccccc1[C@@H](NC(=O)NC[C@H](C)C#N)c1[nH+]ccn1C ZINC000781926496 580560493 /nfs/dbraw/zinc/56/04/93/580560493.db2.gz INWHVBARMKXENB-IUODEOHRSA-N 1 2 327.388 1.977 20 30 EDEDLO Cc1sc(NC(=O)C[NH+]2CCC3(CNC(=O)O3)CC2)c(C#N)c1C ZINC000782004664 580563714 /nfs/dbraw/zinc/56/37/14/580563714.db2.gz PKTIZFPDTRQJDS-UHFFFAOYSA-N 1 2 348.428 1.750 20 30 EDEDLO C#CCCNC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000782079242 580565769 /nfs/dbraw/zinc/56/57/69/580565769.db2.gz VOZAFICHSPGLDU-UHFFFAOYSA-N 1 2 328.416 1.496 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC(=O)N(C)C[C@H]2C)c(OC)c1 ZINC000782593087 580579312 /nfs/dbraw/zinc/57/93/12/580579312.db2.gz CFDDGPJUQWHJTE-GDBMZVCRSA-N 1 2 348.443 1.326 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC(=O)N(C)C[C@H]2C)c(OC)c1 ZINC000782593087 580579313 /nfs/dbraw/zinc/57/93/13/580579313.db2.gz CFDDGPJUQWHJTE-GDBMZVCRSA-N 1 2 348.443 1.326 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000784457960 580621376 /nfs/dbraw/zinc/62/13/76/580621376.db2.gz UZNSSRRUDASKLY-AWEZNQCLSA-N 1 2 329.356 1.347 20 30 EDEDLO O=C(NO)c1ccc(CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000788254160 580715179 /nfs/dbraw/zinc/71/51/79/580715179.db2.gz LRLKVKZVTRQTMI-UHFFFAOYSA-N 1 2 337.339 1.316 20 30 EDEDLO C#CCC1(C(=O)N2CC[NH+](CCn3cncn3)CC2)CCCCC1 ZINC000788511464 580723167 /nfs/dbraw/zinc/72/31/67/580723167.db2.gz QGQVRMGYDISZEV-UHFFFAOYSA-N 1 2 329.448 1.396 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000790554623 580772993 /nfs/dbraw/zinc/77/29/93/580772993.db2.gz UBCUKJDANDWQMF-CYBMUJFWSA-N 1 2 340.345 1.894 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000790554623 580772994 /nfs/dbraw/zinc/77/29/94/580772994.db2.gz UBCUKJDANDWQMF-CYBMUJFWSA-N 1 2 340.345 1.894 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000793821561 580857223 /nfs/dbraw/zinc/85/72/23/580857223.db2.gz XFFBNXSZLPMPDW-WCQYABFASA-N 1 2 333.392 1.218 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000793821561 580857224 /nfs/dbraw/zinc/85/72/24/580857224.db2.gz XFFBNXSZLPMPDW-WCQYABFASA-N 1 2 333.392 1.218 20 30 EDEDLO CCCN1C(=O)CC[C@@H](C(=O)OCCCC#N)[C@@H]1c1c[nH+]cn1C ZINC000796088303 580945146 /nfs/dbraw/zinc/94/51/46/580945146.db2.gz NITSIICXFVRYCP-CZUORRHYSA-N 1 2 332.404 1.957 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000798061295 580986759 /nfs/dbraw/zinc/98/67/59/580986759.db2.gz WXBKYJLCLNZXGO-UKRRQHHQSA-N 1 2 346.431 1.492 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000798357614 580995185 /nfs/dbraw/zinc/99/51/85/580995185.db2.gz SWVGXXZNSGVUNF-INIZCTEOSA-N 1 2 330.432 1.645 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cn2nc(C(=O)OC)c3ccccc32)C1=O ZINC000799141774 581018423 /nfs/dbraw/zinc/01/84/23/581018423.db2.gz BGSAFXFDLQGOJT-HNNXBMFYSA-N 1 2 342.399 1.499 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cn2nc(C(=O)OC)c3ccccc32)C1=O ZINC000799141774 581018424 /nfs/dbraw/zinc/01/84/24/581018424.db2.gz BGSAFXFDLQGOJT-HNNXBMFYSA-N 1 2 342.399 1.499 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CC[NH+](Cc2c(CC)nn(C)c2Cl)CC1 ZINC000800339420 581050871 /nfs/dbraw/zinc/05/08/71/581050871.db2.gz SRBPTHQJTMYZBS-CQSZACIVSA-N 1 2 340.855 1.481 20 30 EDEDLO Cn1nccc1[C@@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000800858589 581060025 /nfs/dbraw/zinc/06/00/25/581060025.db2.gz NVEQMKMAQDXCLU-GFCCVEGCSA-N 1 2 331.449 1.588 20 30 EDEDLO Cn1nccc1[C@@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000800858589 581060026 /nfs/dbraw/zinc/06/00/26/581060026.db2.gz NVEQMKMAQDXCLU-GFCCVEGCSA-N 1 2 331.449 1.588 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000801909906 581087637 /nfs/dbraw/zinc/08/76/37/581087637.db2.gz HWWMGVARCOWIPF-CYBMUJFWSA-N 1 2 331.372 1.102 20 30 EDEDLO CCO[C@H](C)c1noc(CN2CC[NH+](CCO[C@@H](C)C#N)CC2)n1 ZINC000801923588 581088089 /nfs/dbraw/zinc/08/80/89/581088089.db2.gz LGRWAKAFHMZDIG-UONOGXRCSA-N 1 2 337.424 1.213 20 30 EDEDLO C[C@@H](C#N)OCC[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000801940968 581088723 /nfs/dbraw/zinc/08/87/23/581088723.db2.gz VKHHSUVHYYQDBA-GWCFXTLKSA-N 1 2 340.221 1.836 20 30 EDEDLO C[C@@H](C#N)OCC[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000801940968 581088724 /nfs/dbraw/zinc/08/87/24/581088724.db2.gz VKHHSUVHYYQDBA-GWCFXTLKSA-N 1 2 340.221 1.836 20 30 EDEDLO C=CC[C@@H]1CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000890555808 590657414 /nfs/dbraw/zinc/65/74/14/590657414.db2.gz OULQLGCYYRWLEZ-MRXNPFEDSA-N 1 2 342.443 1.687 20 30 EDEDLO O=C(NCC#C[C@H]1CCCCO1)NCCc1cn2c([nH+]1)CCCC2 ZINC000891989941 590730641 /nfs/dbraw/zinc/73/06/41/590730641.db2.gz JGJXFTYXBWMBFD-MRXNPFEDSA-N 1 2 330.432 1.634 20 30 EDEDLO C[C@H]1C[N@H+](Cc2csc(C#N)c2)CCN1c1nccn2cnnc12 ZINC000892212371 590866648 /nfs/dbraw/zinc/86/66/48/590866648.db2.gz SMEWEGWDELMLPY-LBPRGKRZSA-N 1 2 339.428 1.768 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)CCN1c1nccn2cnnc12 ZINC000892212371 590866649 /nfs/dbraw/zinc/86/66/49/590866649.db2.gz SMEWEGWDELMLPY-LBPRGKRZSA-N 1 2 339.428 1.768 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)COc2ccccc2C#N)C[N@@H+]1C ZINC000893561229 590961319 /nfs/dbraw/zinc/96/13/19/590961319.db2.gz BSIURVVVXPOSML-SUMWQHHRSA-N 1 2 332.356 1.116 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)COc2ccccc2C#N)C[N@H+]1C ZINC000893561229 590961320 /nfs/dbraw/zinc/96/13/20/590961320.db2.gz BSIURVVVXPOSML-SUMWQHHRSA-N 1 2 332.356 1.116 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000891536480 591113482 /nfs/dbraw/zinc/11/34/82/591113482.db2.gz LMPPWRJQQZSUCG-UHFFFAOYSA-N 1 2 337.855 1.360 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc4oc(=O)oc4c3)CC2)nc1 ZINC000893926362 591140554 /nfs/dbraw/zinc/14/05/54/591140554.db2.gz VIGWOQVBBFVEMN-UHFFFAOYSA-N 1 2 336.351 1.975 20 30 EDEDLO CCCS(=O)(=O)NC1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000891595183 591140992 /nfs/dbraw/zinc/14/09/92/591140992.db2.gz RATCDBKACUUAKG-UHFFFAOYSA-N 1 2 327.475 1.914 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc(C)cc(Cl)c2)CC1 ZINC000895922692 591304899 /nfs/dbraw/zinc/30/48/99/591304899.db2.gz TVIDAPUVPURMJJ-UHFFFAOYSA-N 1 2 341.864 1.234 20 30 EDEDLO CO[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000895967730 591314185 /nfs/dbraw/zinc/31/41/85/591314185.db2.gz BHSIEKAVBDNQQT-INIZCTEOSA-N 1 2 327.388 1.663 20 30 EDEDLO CO[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000895967730 591314188 /nfs/dbraw/zinc/31/41/88/591314188.db2.gz BHSIEKAVBDNQQT-INIZCTEOSA-N 1 2 327.388 1.663 20 30 EDEDLO CS(=O)(=O)c1ccc(NC(=O)CO[NH+]=C(N)c2ccccc2)cc1 ZINC000026218951 591372903 /nfs/dbraw/zinc/37/29/03/591372903.db2.gz NSOBWMAYNZTKRR-UHFFFAOYSA-N 1 2 347.396 1.366 20 30 EDEDLO N#CC1(c2ccccc2)CCC([N@H+]2CCn3nnc(CO)c3C2)CC1 ZINC000894805700 591423505 /nfs/dbraw/zinc/42/35/05/591423505.db2.gz RWQSUZNZWBPYNR-UHFFFAOYSA-N 1 2 337.427 1.990 20 30 EDEDLO N#CC1(c2ccccc2)CCC([N@@H+]2CCn3nnc(CO)c3C2)CC1 ZINC000894805700 591423506 /nfs/dbraw/zinc/42/35/06/591423506.db2.gz RWQSUZNZWBPYNR-UHFFFAOYSA-N 1 2 337.427 1.990 20 30 EDEDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896535213 591496788 /nfs/dbraw/zinc/49/67/88/591496788.db2.gz PRBPDHNEJKRBHQ-VIBAHUMZSA-N 1 2 326.444 1.412 20 30 EDEDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896535213 591496792 /nfs/dbraw/zinc/49/67/92/591496792.db2.gz PRBPDHNEJKRBHQ-VIBAHUMZSA-N 1 2 326.444 1.412 20 30 EDEDLO C[C@H]1CCc2[nH]nc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)c2C1 ZINC000896623668 591553008 /nfs/dbraw/zinc/55/30/08/591553008.db2.gz HMXXZMGNOITILU-AWEZNQCLSA-N 1 2 345.447 1.223 20 30 EDEDLO CCOCc1cc(C[NH+]2CCN(C(=O)CC#N)CC2)ccc1OC ZINC000895065948 591560298 /nfs/dbraw/zinc/56/02/98/591560298.db2.gz KJUIZVPGDUKOBV-UHFFFAOYSA-N 1 2 331.416 1.790 20 30 EDEDLO C#CC1CC[NH+](Cc2c(I)cnn2C)CC1 ZINC000895086229 591576541 /nfs/dbraw/zinc/57/65/41/591576541.db2.gz TVTASHQVOGRIAC-UHFFFAOYSA-N 1 2 329.185 1.870 20 30 EDEDLO O=C1[C@H]([NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CCCN1O ZINC000895158755 591625431 /nfs/dbraw/zinc/62/54/31/591625431.db2.gz NPERRRPNTZCPBF-GFCCVEGCSA-N 1 2 344.770 1.994 20 30 EDEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895164647 591630878 /nfs/dbraw/zinc/63/08/78/591630878.db2.gz HILIIBBZBAQWLS-SNVBAGLBSA-N 1 2 336.314 1.139 20 30 EDEDLO C#CCOc1ccccc1C[NH2+][C@H](C)c1nc(C(=O)OCC)n[nH]1 ZINC000895237326 591672528 /nfs/dbraw/zinc/67/25/28/591672528.db2.gz TWPRFVGJXPJVCI-GFCCVEGCSA-N 1 2 328.372 1.844 20 30 EDEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3nc(C#N)cs3)[nH+]cn2)C1 ZINC000896930578 591687308 /nfs/dbraw/zinc/68/73/08/591687308.db2.gz QTYIADVXORBUEI-MNOVXSKESA-N 1 2 330.417 1.624 20 30 EDEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3nc(C#N)cs3)nc[nH+]2)C1 ZINC000896930578 591687311 /nfs/dbraw/zinc/68/73/11/591687311.db2.gz QTYIADVXORBUEI-MNOVXSKESA-N 1 2 330.417 1.624 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CO[NH+]=C(N)CCO ZINC000121312191 591829912 /nfs/dbraw/zinc/82/99/12/591829912.db2.gz ARJUISXXWDBMBG-UHFFFAOYSA-N 1 2 331.376 1.099 20 30 EDEDLO N#Cc1c2c(cn(C[NH+]3CCC4(CCNC(=O)O4)CC3)c1=O)CCC2 ZINC000902508662 592004031 /nfs/dbraw/zinc/00/40/31/592004031.db2.gz FFLJNDOIMKMFKA-UHFFFAOYSA-N 1 2 342.399 1.131 20 30 EDEDLO COC(=O)[C@@H]1CN(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C(=O)O1 ZINC000902592111 592015838 /nfs/dbraw/zinc/01/58/38/592015838.db2.gz CGDBPDJDQMNSGI-INIZCTEOSA-N 1 2 343.383 1.689 20 30 EDEDLO CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)CC1 ZINC000900600111 592065252 /nfs/dbraw/zinc/06/52/52/592065252.db2.gz IFQNGXQTZDCHAM-XZVRFQMRSA-N 1 2 330.428 1.649 20 30 EDEDLO C#CC(C)(C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000900703192 592098965 /nfs/dbraw/zinc/09/89/65/592098965.db2.gz KMIWYDPTTJXPLQ-HNNXBMFYSA-N 1 2 330.432 1.545 20 30 EDEDLO C#CC(C)(C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000900703192 592098967 /nfs/dbraw/zinc/09/89/67/592098967.db2.gz KMIWYDPTTJXPLQ-HNNXBMFYSA-N 1 2 330.432 1.545 20 30 EDEDLO C=CC[C@H]([NH2+]C[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC ZINC000901596891 592406491 /nfs/dbraw/zinc/40/64/91/592406491.db2.gz SHAYIIZBEWCNEH-SUMWQHHRSA-N 1 2 342.436 1.720 20 30 EDEDLO C[C@@H]([NH2+][C@H](C)c1cn(C)nn1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000905867467 592661381 /nfs/dbraw/zinc/66/13/81/592661381.db2.gz ZCXAHXSTXSYAJL-NXEZZACHSA-N 1 2 344.444 1.915 20 30 EDEDLO C=CCN(C(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1)[C@H](C)COC ZINC000912315018 593086359 /nfs/dbraw/zinc/08/63/59/593086359.db2.gz OBJZRROVARYECI-KGLIPLIRSA-N 1 2 337.420 1.558 20 30 EDEDLO C=CCN(C(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1)[C@H](C)COC ZINC000912315018 593086360 /nfs/dbraw/zinc/08/63/60/593086360.db2.gz OBJZRROVARYECI-KGLIPLIRSA-N 1 2 337.420 1.558 20 30 EDEDLO FC(F)(F)c1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)[nH]1 ZINC000807946916 593212086 /nfs/dbraw/zinc/21/20/86/593212086.db2.gz AEIWFFHLHVNXEA-UHFFFAOYSA-N 1 2 349.382 1.164 20 30 EDEDLO CC(N=Nc1ccc(S(N)(=O)=O)cn1)c1cn2c([nH+]1)CCCC2 ZINC000807962275 593212457 /nfs/dbraw/zinc/21/24/57/593212457.db2.gz HUMMQLFLIAGSCL-UHFFFAOYSA-N 1 2 334.405 1.098 20 30 EDEDLO C#CC[C@@H]([NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000839168855 593270291 /nfs/dbraw/zinc/27/02/91/593270291.db2.gz NLKDDWKHXOUWLA-SWLSCSKDSA-N 1 2 328.368 1.216 20 30 EDEDLO N#CC1(OCCOC(=O)c2ccnc(-n3cc[nH+]c3)c2)CCOCC1 ZINC000809085236 593316447 /nfs/dbraw/zinc/31/64/47/593316447.db2.gz QVDIOBJXUAEYHF-UHFFFAOYSA-N 1 2 342.355 1.513 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)COc1cccc(C#N)c1 ZINC000803512770 593338639 /nfs/dbraw/zinc/33/86/39/593338639.db2.gz UEMSEIOCVGJEDS-ZBFHGGJFSA-N 1 2 329.400 1.259 20 30 EDEDLO C#C[C@@H]([NH2+]CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C)[C@H]1CCCO1 ZINC000839565037 593339264 /nfs/dbraw/zinc/33/92/64/593339264.db2.gz UQEMFEKABDEGJX-UKRRQHHQSA-N 1 2 332.400 1.761 20 30 EDEDLO C#C[C@H]([NH2+][C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C)[C@H]1CCCO1 ZINC000839562813 593345399 /nfs/dbraw/zinc/34/53/99/593345399.db2.gz DAYBVZFBRMZWOV-HZSPNIEDSA-N 1 2 332.400 1.760 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000839666557 593360004 /nfs/dbraw/zinc/36/00/04/593360004.db2.gz OIVDKLDTEPBPKA-BGUXKRQTSA-N 1 2 344.455 1.542 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000839666557 593360005 /nfs/dbraw/zinc/36/00/05/593360005.db2.gz OIVDKLDTEPBPKA-BGUXKRQTSA-N 1 2 344.455 1.542 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000810031633 593376116 /nfs/dbraw/zinc/37/61/16/593376116.db2.gz RYOMJVOPUALFBH-FUHWJXTLSA-N 1 2 329.400 1.961 20 30 EDEDLO N#Cc1cncc(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000810039514 593376524 /nfs/dbraw/zinc/37/65/24/593376524.db2.gz FGBMPRQCFRYFJD-UHFFFAOYSA-N 1 2 340.368 1.012 20 30 EDEDLO COC(=O)CC[N@@H+](Cc1ccncc1)Cn1cccc(C#N)c1=O ZINC000758238167 593398515 /nfs/dbraw/zinc/39/85/15/593398515.db2.gz SSCHPSRWPSXFMJ-UHFFFAOYSA-N 1 2 326.356 1.138 20 30 EDEDLO COC(=O)CC[N@H+](Cc1ccncc1)Cn1cccc(C#N)c1=O ZINC000758238167 593398519 /nfs/dbraw/zinc/39/85/19/593398519.db2.gz SSCHPSRWPSXFMJ-UHFFFAOYSA-N 1 2 326.356 1.138 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000804374694 593409533 /nfs/dbraw/zinc/40/95/33/593409533.db2.gz DQAFNEPKXRCPON-INIZCTEOSA-N 1 2 340.402 1.301 20 30 EDEDLO c1cn(-c2ccc(N=NC3CCN(c4cnccn4)CC3)nn2)c[nH+]1 ZINC000761844919 593422183 /nfs/dbraw/zinc/42/21/83/593422183.db2.gz DCIHJBVBCCADCL-UHFFFAOYSA-N 1 2 335.375 1.521 20 30 EDEDLO C=CCN1CCN(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)C1=O ZINC000840055881 593430881 /nfs/dbraw/zinc/43/08/81/593430881.db2.gz SHYGKRIAGZMAQP-KRWDZBQOSA-N 1 2 342.443 1.600 20 30 EDEDLO C=CCN1CCN(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)C1=O ZINC000840055881 593430882 /nfs/dbraw/zinc/43/08/82/593430882.db2.gz SHYGKRIAGZMAQP-KRWDZBQOSA-N 1 2 342.443 1.600 20 30 EDEDLO C=CCNC(=O)[C@H](C)OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810834137 593435365 /nfs/dbraw/zinc/43/53/65/593435365.db2.gz MJYYSDKIDJBDDL-AWEZNQCLSA-N 1 2 327.384 1.708 20 30 EDEDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000805473158 593456784 /nfs/dbraw/zinc/45/67/84/593456784.db2.gz RVZYQGAFRZUMIN-AWEZNQCLSA-N 1 2 342.355 1.372 20 30 EDEDLO CC[N@H+]1CCO[C@H](C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000805473158 593456786 /nfs/dbraw/zinc/45/67/86/593456786.db2.gz RVZYQGAFRZUMIN-AWEZNQCLSA-N 1 2 342.355 1.372 20 30 EDEDLO N#Cc1cccn(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1=O ZINC000811785265 593482071 /nfs/dbraw/zinc/48/20/71/593482071.db2.gz XVOOQIYNFSYADW-LLVKDONJSA-N 1 2 342.321 1.068 20 30 EDEDLO N#Cc1cccn(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1=O ZINC000811785265 593482072 /nfs/dbraw/zinc/48/20/72/593482072.db2.gz XVOOQIYNFSYADW-LLVKDONJSA-N 1 2 342.321 1.068 20 30 EDEDLO O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000816758351 593549149 /nfs/dbraw/zinc/54/91/49/593549149.db2.gz NPLMSVBMNLPFTO-HOTGVXAUSA-N 1 2 349.406 1.677 20 30 EDEDLO O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000816758351 593549151 /nfs/dbraw/zinc/54/91/51/593549151.db2.gz NPLMSVBMNLPFTO-HOTGVXAUSA-N 1 2 349.406 1.677 20 30 EDEDLO C[C@H](O)c1ncc(C[NH+]2CCN(c3cnccc3C#N)CC2)s1 ZINC000814175839 593577559 /nfs/dbraw/zinc/57/75/59/593577559.db2.gz MKYBOHOBWSAFDC-LBPRGKRZSA-N 1 2 329.429 1.785 20 30 EDEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CC[C@H](C(=O)NC)C2)c1=S ZINC000817370086 593596742 /nfs/dbraw/zinc/59/67/42/593596742.db2.gz GQQKNCLOOUWJNJ-LBPRGKRZSA-N 1 2 347.444 1.885 20 30 EDEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CC[C@H](C(=O)NC)C2)c1=S ZINC000817370086 593596744 /nfs/dbraw/zinc/59/67/44/593596744.db2.gz GQQKNCLOOUWJNJ-LBPRGKRZSA-N 1 2 347.444 1.885 20 30 EDEDLO C#CCNC(=O)CC[NH+]1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000815015006 593609654 /nfs/dbraw/zinc/60/96/54/593609654.db2.gz BCMMSISCORSVJU-UHFFFAOYSA-N 1 2 331.391 1.290 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000820666903 593857483 /nfs/dbraw/zinc/85/74/83/593857483.db2.gz OERNSIBSYTUDDX-INIZCTEOSA-N 1 2 333.432 1.925 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000820687801 593863637 /nfs/dbraw/zinc/86/36/37/593863637.db2.gz AKUWNRQOWBYBBW-GASCZTMLSA-N 1 2 348.468 1.648 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC000820687801 593863640 /nfs/dbraw/zinc/86/36/40/593863640.db2.gz AKUWNRQOWBYBBW-GASCZTMLSA-N 1 2 348.468 1.648 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000824856085 594085320 /nfs/dbraw/zinc/08/53/20/594085320.db2.gz SNMCCNQQVHDFIA-QHCPKHFHSA-N 1 2 331.485 1.738 20 30 EDEDLO C#CC1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000825567180 594201351 /nfs/dbraw/zinc/20/13/51/594201351.db2.gz VIFBICRCPMWEOS-IBGZPJMESA-N 1 2 341.455 1.942 20 30 EDEDLO C#CC1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000825567180 594201353 /nfs/dbraw/zinc/20/13/53/594201353.db2.gz VIFBICRCPMWEOS-IBGZPJMESA-N 1 2 341.455 1.942 20 30 EDEDLO C#Cc1cnc(N2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nc1 ZINC000827602318 594242374 /nfs/dbraw/zinc/24/23/74/594242374.db2.gz SXUGLSPNTBXVCD-NVXWUHKLSA-N 1 2 341.459 1.275 20 30 EDEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C#Cc2cccs2)CC1 ZINC000825888501 594269557 /nfs/dbraw/zinc/26/95/57/594269557.db2.gz WQWRGIUDTMOHHY-UHFFFAOYSA-N 1 2 347.484 1.502 20 30 EDEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C#Cc2cccs2)CC1 ZINC000825888501 594269559 /nfs/dbraw/zinc/26/95/59/594269559.db2.gz WQWRGIUDTMOHHY-UHFFFAOYSA-N 1 2 347.484 1.502 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)o3)CC2)nc1 ZINC000826385774 594453840 /nfs/dbraw/zinc/45/38/40/594453840.db2.gz ZXDCESYLRPOEBW-UHFFFAOYSA-N 1 2 336.359 1.049 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC000826550805 594523155 /nfs/dbraw/zinc/52/31/55/594523155.db2.gz WJRPFULMNLLUPH-IRXDYDNUSA-N 1 2 345.487 1.487 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC000826550805 594523158 /nfs/dbraw/zinc/52/31/58/594523158.db2.gz WJRPFULMNLLUPH-IRXDYDNUSA-N 1 2 345.487 1.487 20 30 EDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000833304697 594823713 /nfs/dbraw/zinc/82/37/13/594823713.db2.gz HFDNWYQLBFYRMN-CQSZACIVSA-N 1 2 346.412 1.222 20 30 EDEDLO C#CCNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000836771766 594996623 /nfs/dbraw/zinc/99/66/23/594996623.db2.gz ZKXGZYALVZLNOS-UHFFFAOYSA-N 1 2 339.193 1.435 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCO[C@]4(CCSC4)C3)c1=O)CCC2 ZINC000842621122 595146256 /nfs/dbraw/zinc/14/62/56/595146256.db2.gz XSZHIFJHOKIDFF-QGZVFWFLSA-N 1 2 331.441 1.374 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCO[C@]4(CCSC4)C3)c1=O)CCC2 ZINC000842621122 595146258 /nfs/dbraw/zinc/14/62/58/595146258.db2.gz XSZHIFJHOKIDFF-QGZVFWFLSA-N 1 2 331.441 1.374 20 30 EDEDLO C#CC1CC[NH+](Cn2nc(C3CC3)n(CCC(N)=O)c2=S)CC1 ZINC000842634440 595152306 /nfs/dbraw/zinc/15/23/06/595152306.db2.gz WTHAWQTYNMBFST-UHFFFAOYSA-N 1 2 333.461 1.470 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000834543024 595159164 /nfs/dbraw/zinc/15/91/64/595159164.db2.gz LYOVDDDREYFCIN-OAHLLOKOSA-N 1 2 338.411 1.255 20 30 EDEDLO N#Cc1ccc(NC(=O)CO[NH+]=C(N)COC[C@H]2CCOC2)cc1 ZINC000842661488 595163091 /nfs/dbraw/zinc/16/30/91/595163091.db2.gz IOCVHMFMTJOMDN-ZDUSSCGKSA-N 1 2 332.360 1.048 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2csc(-c3ccccn3)n2)CC1 ZINC000101694605 595208186 /nfs/dbraw/zinc/20/81/86/595208186.db2.gz BSQWIEDSNCCADP-UHFFFAOYSA-N 1 2 326.425 1.525 20 30 EDEDLO COC(=O)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCC[C@H](OC)C1 ZINC000844446013 595344344 /nfs/dbraw/zinc/34/43/44/595344344.db2.gz JBEATMGAXRLAJR-XLAORIBOSA-N 1 2 346.427 1.928 20 30 EDEDLO CC(=NNCCCn1cc[nH+]c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000848419035 595375916 /nfs/dbraw/zinc/37/59/16/595375916.db2.gz XOPAOSZRMHVERN-UHFFFAOYSA-N 1 2 335.433 1.659 20 30 EDEDLO COC(=O)[C@]12C[N@H+](Cn3nc(CC#N)n(C)c3=S)C[C@H]1CCCC2 ZINC000848491197 595395024 /nfs/dbraw/zinc/39/50/24/595395024.db2.gz PTLOUTOTSVYIPN-MLGOLLRUSA-N 1 2 349.460 1.640 20 30 EDEDLO COC(=O)[C@]12C[N@@H+](Cn3nc(CC#N)n(C)c3=S)C[C@H]1CCCC2 ZINC000848491197 595395026 /nfs/dbraw/zinc/39/50/26/595395026.db2.gz PTLOUTOTSVYIPN-MLGOLLRUSA-N 1 2 349.460 1.640 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000848667746 595425352 /nfs/dbraw/zinc/42/53/52/595425352.db2.gz LUMQNAWTKVROII-QFIPXVFZSA-N 1 2 327.400 1.996 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CSCC(=O)Nc2ccc(C)cc2)CC1 ZINC000112921065 595569409 /nfs/dbraw/zinc/56/94/09/595569409.db2.gz QVOHUUMBQDDCHW-UHFFFAOYSA-N 1 2 345.468 1.444 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@]3(C)CC[NH2+]C3)cc2[nH]c1=S ZINC000852928848 595618701 /nfs/dbraw/zinc/61/87/01/595618701.db2.gz UTNIBIQGDVCCRQ-QGZVFWFLSA-N 1 2 344.440 1.353 20 30 EDEDLO C#CC[C@H](COC)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000858159127 595715485 /nfs/dbraw/zinc/71/54/85/595715485.db2.gz NRKRANSICGFKBA-CQSZACIVSA-N 1 2 330.363 1.849 20 30 EDEDLO C#CCCN(CCOC)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000853592223 595819948 /nfs/dbraw/zinc/81/99/48/595819948.db2.gz IWASPOZXFPEOPX-UHFFFAOYSA-N 1 2 327.388 1.449 20 30 EDEDLO CC1(C)C[C@H](ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CO1 ZINC000853657650 595848389 /nfs/dbraw/zinc/84/83/89/595848389.db2.gz GZCXPDRSRWJSSC-INIZCTEOSA-N 1 2 333.432 1.723 20 30 EDEDLO N#CCCCC(=O)OCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000861023044 595867911 /nfs/dbraw/zinc/86/79/11/595867911.db2.gz BSMVREKGSICZEO-UHFFFAOYSA-N 1 2 329.400 1.681 20 30 EDEDLO C#C[C@@H](CC)NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000854074081 595968763 /nfs/dbraw/zinc/96/87/63/595968763.db2.gz KVACKAWJPZSKDP-UONOGXRCSA-N 1 2 338.452 1.249 20 30 EDEDLO C#C[C@@H](CC)NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000854074081 595968764 /nfs/dbraw/zinc/96/87/64/595968764.db2.gz KVACKAWJPZSKDP-UONOGXRCSA-N 1 2 338.452 1.249 20 30 EDEDLO C#CCOCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1[nH+]ccn1C ZINC000852023835 596011630 /nfs/dbraw/zinc/01/16/30/596011630.db2.gz QBBJECJHQMZPFD-OAHLLOKOSA-N 1 2 348.447 1.664 20 30 EDEDLO N#CCOc1ccc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000852049571 596023652 /nfs/dbraw/zinc/02/36/52/596023652.db2.gz CFIGGYNEPXAZKJ-INIZCTEOSA-N 1 2 344.415 1.205 20 30 EDEDLO C[C@@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@H]1CO ZINC000856794503 596083357 /nfs/dbraw/zinc/08/33/57/596083357.db2.gz XXGXCNJRBZSXGD-KGLIPLIRSA-N 1 2 326.400 1.370 20 30 EDEDLO C[C@@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@H]1CO ZINC000856794503 596083359 /nfs/dbraw/zinc/08/33/59/596083359.db2.gz XXGXCNJRBZSXGD-KGLIPLIRSA-N 1 2 326.400 1.370 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000852276862 596110713 /nfs/dbraw/zinc/11/07/13/596110713.db2.gz FBTSVCAXLFHFMJ-ZWKOTPCHSA-N 1 2 328.460 1.514 20 30 EDEDLO C#C[C@@H](CC)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000852276862 596110716 /nfs/dbraw/zinc/11/07/16/596110716.db2.gz FBTSVCAXLFHFMJ-ZWKOTPCHSA-N 1 2 328.460 1.514 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1)c1ccccc1 ZINC000852300266 596117592 /nfs/dbraw/zinc/11/75/92/596117592.db2.gz NAMCGNAZJNGTOQ-UHFFFAOYSA-N 1 2 338.411 1.803 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCC2=C(CCC(=O)N2)C1)c1ccccc1 ZINC000852300266 596117593 /nfs/dbraw/zinc/11/75/93/596117593.db2.gz NAMCGNAZJNGTOQ-UHFFFAOYSA-N 1 2 338.411 1.803 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1)C(C)C ZINC000852303871 596118785 /nfs/dbraw/zinc/11/87/85/596118785.db2.gz BJUSHWQDICFVCK-RBUKOAKNSA-N 1 2 342.487 1.760 20 30 EDEDLO C#C[C@@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1)C(C)C ZINC000852303871 596118788 /nfs/dbraw/zinc/11/87/88/596118788.db2.gz BJUSHWQDICFVCK-RBUKOAKNSA-N 1 2 342.487 1.760 20 30 EDEDLO C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000852558529 596197653 /nfs/dbraw/zinc/19/76/53/596197653.db2.gz CBFNSRLJQMUWOX-CORIIIEPSA-N 1 2 340.383 1.357 20 30 EDEDLO C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000852558529 596197655 /nfs/dbraw/zinc/19/76/55/596197655.db2.gz CBFNSRLJQMUWOX-CORIIIEPSA-N 1 2 340.383 1.357 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)C1CCOCC1 ZINC000852639360 596216155 /nfs/dbraw/zinc/21/61/55/596216155.db2.gz MAYPKIBJBAFPLH-HZPDHXFCSA-N 1 2 330.432 1.738 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@]1(C)CO ZINC000852704433 596230444 /nfs/dbraw/zinc/23/04/44/596230444.db2.gz YIBKDODLGZJMRY-FZKQIMNGSA-N 1 2 326.400 1.370 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@]1(C)CO ZINC000852704433 596230445 /nfs/dbraw/zinc/23/04/45/596230445.db2.gz YIBKDODLGZJMRY-FZKQIMNGSA-N 1 2 326.400 1.370 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852736530 596235976 /nfs/dbraw/zinc/23/59/76/596235976.db2.gz ZMDDUGJWKHRJFE-JHJVBQTASA-N 1 2 329.416 1.614 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852736530 596235977 /nfs/dbraw/zinc/23/59/77/596235977.db2.gz ZMDDUGJWKHRJFE-JHJVBQTASA-N 1 2 329.416 1.614 20 30 EDEDLO N#CCCCCCC(=O)O[C@@H]1C[C@@H]2C(=O)NCc3ccc[nH+]c3N2C1 ZINC000870520303 596269151 /nfs/dbraw/zinc/26/91/51/596269151.db2.gz MQIMHQJDFRMOHS-HUUCEWRRSA-N 1 2 342.399 1.676 20 30 EDEDLO Cn1ccnc1C[NH+]1CCC(C(=O)NOc2cccc(C#N)c2)CC1 ZINC000870692377 596322784 /nfs/dbraw/zinc/32/27/84/596322784.db2.gz BRKALDKDIPKDRH-UHFFFAOYSA-N 1 2 339.399 1.614 20 30 EDEDLO N#Cc1ccccc1N1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864878699 596401612 /nfs/dbraw/zinc/40/16/12/596401612.db2.gz YGOUQXCIILEUDW-INIZCTEOSA-N 1 2 325.372 1.054 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000869097186 596407227 /nfs/dbraw/zinc/40/72/27/596407227.db2.gz VNMZAWMBDJLOKR-MSOLQXFVSA-N 1 2 347.459 1.432 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000869097186 596407230 /nfs/dbraw/zinc/40/72/30/596407230.db2.gz VNMZAWMBDJLOKR-MSOLQXFVSA-N 1 2 347.459 1.432 20 30 EDEDLO C#Cc1cncc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000870997751 596433609 /nfs/dbraw/zinc/43/36/09/596433609.db2.gz YEJDLURMXRQPBC-UHFFFAOYSA-N 1 2 338.436 1.941 20 30 EDEDLO N#C[C@@]1(c2ccccn2)CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869233770 596455772 /nfs/dbraw/zinc/45/57/72/596455772.db2.gz FBUXQMUHSVZFCY-NAASZUNDSA-N 1 2 340.427 1.354 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C1 ZINC000867620283 596465008 /nfs/dbraw/zinc/46/50/08/596465008.db2.gz OJPPBZWKCXRTBY-CRAIPNDOSA-N 1 2 339.439 1.551 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C1 ZINC000867620283 596465009 /nfs/dbraw/zinc/46/50/09/596465009.db2.gz OJPPBZWKCXRTBY-CRAIPNDOSA-N 1 2 339.439 1.551 20 30 EDEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000867760418 596535972 /nfs/dbraw/zinc/53/59/72/596535972.db2.gz LDDLZLTYISDBIM-HIFRSBDPSA-N 1 2 349.460 1.202 20 30 EDEDLO C#CCOCCC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000119467856 596588355 /nfs/dbraw/zinc/58/83/55/596588355.db2.gz DYFDLSIOQPIKNP-GOSISDBHSA-N 1 2 330.428 1.524 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000863781348 596684438 /nfs/dbraw/zinc/68/44/38/596684438.db2.gz KZRVAGXTEOUWJR-MRXNPFEDSA-N 1 2 331.416 1.072 20 30 EDEDLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000872005120 596794291 /nfs/dbraw/zinc/79/42/91/596794291.db2.gz SNCHMQUMXOUKPF-UHFFFAOYSA-N 1 2 337.380 1.256 20 30 EDEDLO S=C(NCCc1ccccn1)NN=C1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872348457 596883536 /nfs/dbraw/zinc/88/35/36/596883536.db2.gz HRGKXZZOIPQLAM-HNNXBMFYSA-N 1 2 349.529 1.655 20 30 EDEDLO S=C(NCCc1ccccn1)NN=C1CCC[N@H+]2CCSC[C@@H]12 ZINC000872348457 596883539 /nfs/dbraw/zinc/88/35/39/596883539.db2.gz HRGKXZZOIPQLAM-HNNXBMFYSA-N 1 2 349.529 1.655 20 30 EDEDLO C#C[C@H](NC(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@@H]2C1)C(C)C ZINC000875594968 596909877 /nfs/dbraw/zinc/90/98/77/596909877.db2.gz UGDWEXOQTHSKAF-ZACQAIPSSA-N 1 2 342.443 1.858 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000872458888 596918047 /nfs/dbraw/zinc/91/80/47/596918047.db2.gz ODWFNEFJCIKTCB-UHFFFAOYSA-N 1 2 349.456 1.352 20 30 EDEDLO Cc1ccc(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)c(C#N)c1 ZINC000872459432 596918314 /nfs/dbraw/zinc/91/83/14/596918314.db2.gz SAJZUDUZRHSZKY-UHFFFAOYSA-N 1 2 328.397 1.907 20 30 EDEDLO CN1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)Cc2ccc[nH+]c21 ZINC000874228793 596975344 /nfs/dbraw/zinc/97/53/44/596975344.db2.gz OYLIJTGRAABBJI-UHFFFAOYSA-N 1 2 349.394 1.565 20 30 EDEDLO C#CC[C@H](CCOC)NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000875915514 597032748 /nfs/dbraw/zinc/03/27/48/597032748.db2.gz YOFXVGPTKGLYOW-QGZVFWFLSA-N 1 2 337.464 1.169 20 30 EDEDLO C#CCC1(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCOCC1 ZINC000888662182 597208473 /nfs/dbraw/zinc/20/84/73/597208473.db2.gz IFTKBPFCOKCAFK-HNNXBMFYSA-N 1 2 328.416 1.532 20 30 EDEDLO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877481498 597523108 /nfs/dbraw/zinc/52/31/08/597523108.db2.gz JBWAKVVENZHKTM-ZFWWWQNUSA-N 1 2 339.823 1.452 20 30 EDEDLO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877481498 597523109 /nfs/dbraw/zinc/52/31/09/597523109.db2.gz JBWAKVVENZHKTM-ZFWWWQNUSA-N 1 2 339.823 1.452 20 30 EDEDLO C=CC[N@@H+](C[C@H](O)C[C@H](O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000878242434 597589255 /nfs/dbraw/zinc/58/92/55/597589255.db2.gz RIJOSXRUVGNKGA-BBWFWOEESA-N 1 2 339.457 1.146 20 30 EDEDLO C=CC[N@H+](C[C@H](O)C[C@H](O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000878242434 597589256 /nfs/dbraw/zinc/58/92/56/597589256.db2.gz RIJOSXRUVGNKGA-BBWFWOEESA-N 1 2 339.457 1.146 20 30 EDEDLO C[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000879585494 597645102 /nfs/dbraw/zinc/64/51/02/597645102.db2.gz ZNUAHIHVWJTRPQ-HZPDHXFCSA-N 1 2 342.443 1.316 20 30 EDEDLO CC(=O)Nc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000880029270 597815462 /nfs/dbraw/zinc/81/54/62/597815462.db2.gz UCMYJQJWKMBBBO-CYBMUJFWSA-N 1 2 328.416 1.764 20 30 EDEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000880029270 597815464 /nfs/dbraw/zinc/81/54/64/597815464.db2.gz UCMYJQJWKMBBBO-CYBMUJFWSA-N 1 2 328.416 1.764 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@H]1C(F)(F)F ZINC000880158929 597860255 /nfs/dbraw/zinc/86/02/55/597860255.db2.gz QTJMNNFYQOKALR-GHMZBOCLSA-N 1 2 347.337 1.222 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@H]1C(F)(F)F ZINC000880158929 597860257 /nfs/dbraw/zinc/86/02/57/597860257.db2.gz QTJMNNFYQOKALR-GHMZBOCLSA-N 1 2 347.337 1.222 20 30 EDEDLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c(C#N)n1 ZINC000882079324 597862280 /nfs/dbraw/zinc/86/22/80/597862280.db2.gz BYTBJHRMUKYPKL-HNNXBMFYSA-N 1 2 327.432 1.395 20 30 EDEDLO CCOC(=O)[C@]1(C)C[N@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000879428180 597914579 /nfs/dbraw/zinc/91/45/79/597914579.db2.gz PNFBNFPRBOWMAO-SFHVURJKSA-N 1 2 332.400 1.981 20 30 EDEDLO CCOC(=O)[C@]1(C)C[N@@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000879428180 597914580 /nfs/dbraw/zinc/91/45/80/597914580.db2.gz PNFBNFPRBOWMAO-SFHVURJKSA-N 1 2 332.400 1.981 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC=C[C@@H]2CO)cc1 ZINC000880484028 597942782 /nfs/dbraw/zinc/94/27/82/597942782.db2.gz LHLGAICDTKODCJ-MRXNPFEDSA-N 1 2 329.400 1.565 20 30 EDEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC=C[C@@H]2CO)cc1 ZINC000880484028 597942783 /nfs/dbraw/zinc/94/27/83/597942783.db2.gz LHLGAICDTKODCJ-MRXNPFEDSA-N 1 2 329.400 1.565 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CCOc1ccccc1Cl ZINC000884061376 597983172 /nfs/dbraw/zinc/98/31/72/597983172.db2.gz GIWVLVGGUPQMSH-ZDUSSCGKSA-N 1 2 340.807 1.624 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000884193557 598021832 /nfs/dbraw/zinc/02/18/32/598021832.db2.gz ITFXTHXZCJWZCC-HNNXBMFYSA-N 1 2 347.415 1.217 20 30 EDEDLO COc1ccc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1C#N ZINC000880883294 598025768 /nfs/dbraw/zinc/02/57/68/598025768.db2.gz SONCDXZKOXEMMS-QWHCGFSZSA-N 1 2 332.404 1.798 20 30 EDEDLO COc1ccc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1C#N ZINC000880883294 598025772 /nfs/dbraw/zinc/02/57/72/598025772.db2.gz SONCDXZKOXEMMS-QWHCGFSZSA-N 1 2 332.404 1.798 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000884309647 598062317 /nfs/dbraw/zinc/06/23/17/598062317.db2.gz AVWXFOQOSRQRRQ-JKSUJKDBSA-N 1 2 348.399 1.042 20 30 EDEDLO N#Cc1cc(CS(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000915066445 695730716 /nfs/dbraw/zinc/73/07/16/695730716.db2.gz MXJRQAWYKNNIGC-CQSZACIVSA-N 1 2 349.437 1.998 20 30 EDEDLO C=C1CCC(C(=O)N(C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000939911669 700032452 /nfs/dbraw/zinc/03/24/52/700032452.db2.gz WGVLPOSHSBQRQA-INIZCTEOSA-N 1 2 330.432 1.758 20 30 EDEDLO CCn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000993210764 695808375 /nfs/dbraw/zinc/80/83/75/695808375.db2.gz VKWDIRVKRQCOBP-SWLSCSKDSA-N 1 2 341.419 1.281 20 30 EDEDLO CCn1nncc1C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000993210764 695808379 /nfs/dbraw/zinc/80/83/79/695808379.db2.gz VKWDIRVKRQCOBP-SWLSCSKDSA-N 1 2 341.419 1.281 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cn(CCOC)nn2)[C@@H]1C ZINC000993346248 695998556 /nfs/dbraw/zinc/99/85/56/695998556.db2.gz ILLSXSVQVAIAGH-STQMWFEESA-N 1 2 341.843 1.260 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cn(CCOC)nn2)[C@@H]1C ZINC000993346248 695998558 /nfs/dbraw/zinc/99/85/58/695998558.db2.gz ILLSXSVQVAIAGH-STQMWFEESA-N 1 2 341.843 1.260 20 30 EDEDLO C[C@@H](NC(=O)[C@@H](C)C#N)c1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001060605196 696295913 /nfs/dbraw/zinc/29/59/13/696295913.db2.gz QLQDYDDCSAXGEV-UONOGXRCSA-N 1 2 339.399 1.536 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)[C@H]1C ZINC000993705814 696315452 /nfs/dbraw/zinc/31/54/52/696315452.db2.gz WLEBEJBYTNDJJS-GHMZBOCLSA-N 1 2 349.822 1.999 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3n2)[C@H]1C ZINC000993705814 696315454 /nfs/dbraw/zinc/31/54/54/696315454.db2.gz WLEBEJBYTNDJJS-GHMZBOCLSA-N 1 2 349.822 1.999 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@H]1C ZINC000993702088 696336328 /nfs/dbraw/zinc/33/63/28/696336328.db2.gz ILDHIXQETHCLMU-DGCLKSJQSA-N 1 2 348.838 1.699 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc3c2nnn3C)[C@H]1C ZINC000993702088 696336330 /nfs/dbraw/zinc/33/63/30/696336330.db2.gz ILDHIXQETHCLMU-DGCLKSJQSA-N 1 2 348.838 1.699 20 30 EDEDLO Cc1nnsc1C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007157247 696465247 /nfs/dbraw/zinc/46/52/47/696465247.db2.gz SADMCHJOEWNJOC-GFCCVEGCSA-N 1 2 330.417 1.441 20 30 EDEDLO Cc1nnsc1C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007157247 696465249 /nfs/dbraw/zinc/46/52/49/696465249.db2.gz SADMCHJOEWNJOC-GFCCVEGCSA-N 1 2 330.417 1.441 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCOCC2)[C@H]1C ZINC000993991440 696484697 /nfs/dbraw/zinc/48/46/97/696484697.db2.gz UMFYALKLQFFRLC-CABCVRRESA-N 1 2 343.899 1.819 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCOCC2)[C@H]1C ZINC000993991440 696484699 /nfs/dbraw/zinc/48/46/99/696484699.db2.gz UMFYALKLQFFRLC-CABCVRRESA-N 1 2 343.899 1.819 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000993998144 696486831 /nfs/dbraw/zinc/48/68/31/696486831.db2.gz VEKIFXGDKPMIGT-DOTOQJQBSA-N 1 2 337.427 1.450 20 30 EDEDLO C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000993998144 696486832 /nfs/dbraw/zinc/48/68/32/696486832.db2.gz VEKIFXGDKPMIGT-DOTOQJQBSA-N 1 2 337.427 1.450 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cnon2)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000994045555 696505092 /nfs/dbraw/zinc/50/50/92/696505092.db2.gz VLZXSQHAQSMBEI-MFKMUULPSA-N 1 2 331.401 1.786 20 30 EDEDLO C[C@@H]1[C@@H](NC(=O)c2cnon2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000994045555 696505094 /nfs/dbraw/zinc/50/50/94/696505094.db2.gz VLZXSQHAQSMBEI-MFKMUULPSA-N 1 2 331.401 1.786 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2nc3ncccn3n2)[C@H]1C ZINC000994046003 696505316 /nfs/dbraw/zinc/50/53/16/696505316.db2.gz VXPAFXIWOWODIG-NEPJUHHUSA-N 1 2 334.811 1.460 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2nc3ncccn3n2)[C@H]1C ZINC000994046003 696505317 /nfs/dbraw/zinc/50/53/17/696505317.db2.gz VXPAFXIWOWODIG-NEPJUHHUSA-N 1 2 334.811 1.460 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C)C1 ZINC000939996600 700092632 /nfs/dbraw/zinc/09/26/32/700092632.db2.gz XRATUYXZERSBJB-IIAWOOMASA-N 1 2 344.459 1.908 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C)C1 ZINC000939996600 700092633 /nfs/dbraw/zinc/09/26/33/700092633.db2.gz XRATUYXZERSBJB-IIAWOOMASA-N 1 2 344.459 1.908 20 30 EDEDLO C[C@H]1[C@H](NC(=O)Cc2nnc[nH]2)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000994177338 696562981 /nfs/dbraw/zinc/56/29/81/696562981.db2.gz MJYIFMGBGVTFFE-DOTOQJQBSA-N 1 2 337.427 1.368 20 30 EDEDLO C[C@H]1[C@H](NC(=O)Cc2nnc[nH]2)CCC[N@H+]1CC#Cc1ccccc1 ZINC000994177338 696562983 /nfs/dbraw/zinc/56/29/83/696562983.db2.gz MJYIFMGBGVTFFE-DOTOQJQBSA-N 1 2 337.427 1.368 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)NC1CN(Cc2ccc(C#N)c(F)c2)C1 ZINC001031313844 696643962 /nfs/dbraw/zinc/64/39/62/696643962.db2.gz YOULNYQOETZXHL-UHFFFAOYSA-N 1 2 327.363 1.272 20 30 EDEDLO C#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060720655 697188176 /nfs/dbraw/zinc/18/81/76/697188176.db2.gz QUTJEUWIQGPVSZ-WKILWMFISA-N 1 2 330.432 1.478 20 30 EDEDLO Cc1c(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)cnn1C ZINC001031550037 697235090 /nfs/dbraw/zinc/23/50/90/697235090.db2.gz HRYIQIHCWALKBZ-UHFFFAOYSA-N 1 2 329.429 1.524 20 30 EDEDLO Cc1c(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)cnn1C ZINC001031550307 697235131 /nfs/dbraw/zinc/23/51/31/697235131.db2.gz STVMSPOXHOQXHZ-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)c1cnns1 ZINC001031561561 697251304 /nfs/dbraw/zinc/25/13/04/697251304.db2.gz RZDDOZXPIAXRRJ-UHFFFAOYSA-N 1 2 346.843 1.905 20 30 EDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3cnns3)C2)ccc1F ZINC001031561610 697251503 /nfs/dbraw/zinc/25/15/03/697251503.db2.gz WEJUJQYHOLPHDE-UHFFFAOYSA-N 1 2 331.376 1.411 20 30 EDEDLO COC(=O)[C@H]1C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031579255 697274889 /nfs/dbraw/zinc/27/48/89/697274889.db2.gz PPMPRCAZLJLHDR-SJORKVTESA-N 1 2 344.386 1.034 20 30 EDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000919804734 697336175 /nfs/dbraw/zinc/33/61/75/697336175.db2.gz CAARKWIJVXJNOS-BBRMVZONSA-N 1 2 349.394 1.434 20 30 EDEDLO CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000919804734 697336176 /nfs/dbraw/zinc/33/61/76/697336176.db2.gz CAARKWIJVXJNOS-BBRMVZONSA-N 1 2 349.394 1.434 20 30 EDEDLO Cc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)cnn1 ZINC001031633942 697376849 /nfs/dbraw/zinc/37/68/49/697376849.db2.gz FMCWFILNHLILCP-UHFFFAOYSA-N 1 2 327.413 1.580 20 30 EDEDLO Cc1c[nH]nc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031659424 697426696 /nfs/dbraw/zinc/42/66/96/697426696.db2.gz ABKYESKNZLVYAR-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000352912225 697467508 /nfs/dbraw/zinc/46/75/08/697467508.db2.gz MSANICKFZHFMJC-CYBMUJFWSA-N 1 2 331.401 1.255 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cn4c(n3)CCC4)C2)s1 ZINC001031682189 697503297 /nfs/dbraw/zinc/50/32/97/697503297.db2.gz YBXWWMRIDLZAFV-UHFFFAOYSA-N 1 2 341.440 1.624 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)o1 ZINC000921322309 697551176 /nfs/dbraw/zinc/55/11/76/697551176.db2.gz QFDYYIWUQDXHMC-NWDGAFQWSA-N 1 2 327.431 1.009 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)o1 ZINC000921322309 697551177 /nfs/dbraw/zinc/55/11/77/697551177.db2.gz QFDYYIWUQDXHMC-NWDGAFQWSA-N 1 2 327.431 1.009 20 30 EDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000921440389 697614109 /nfs/dbraw/zinc/61/41/09/697614109.db2.gz ZTXZJKOJKYMVCY-UHFFFAOYSA-N 1 2 330.812 1.855 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC000938654436 698429189 /nfs/dbraw/zinc/42/91/89/698429189.db2.gz ZRSQUQQAEHBDTD-HNNXBMFYSA-N 1 2 330.432 1.724 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000938908245 698926419 /nfs/dbraw/zinc/92/64/19/698926419.db2.gz LXVBOSRMYFFVLN-AWEZNQCLSA-N 1 2 330.432 1.378 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000938992824 699037522 /nfs/dbraw/zinc/03/75/22/699037522.db2.gz UPQLTNIPKMGITN-QGZVFWFLSA-N 1 2 336.395 1.307 20 30 EDEDLO COCC[N@H+](CC(=O)N1CCO[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC000069072101 699050013 /nfs/dbraw/zinc/05/00/13/699050013.db2.gz WCPXEEOIZDNRGZ-OAHLLOKOSA-N 1 2 331.416 1.254 20 30 EDEDLO COCC[N@@H+](CC(=O)N1CCO[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC000069072101 699050014 /nfs/dbraw/zinc/05/00/14/699050014.db2.gz WCPXEEOIZDNRGZ-OAHLLOKOSA-N 1 2 331.416 1.254 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3CC)CC2)C1 ZINC000941538657 701569846 /nfs/dbraw/zinc/56/98/46/701569846.db2.gz IFUFVWORXGWHNU-UHFFFAOYSA-N 1 2 325.456 1.714 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccn(C)c3CC)CC2)C1 ZINC000941566774 701585351 /nfs/dbraw/zinc/58/53/51/701585351.db2.gz MSLTTXWJMONFET-UHFFFAOYSA-N 1 2 328.460 1.053 20 30 EDEDLO COc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)ccn1 ZINC001031806898 699415533 /nfs/dbraw/zinc/41/55/33/699415533.db2.gz TYXJAMQPOQCLSU-UHFFFAOYSA-N 1 2 342.424 1.885 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3snnc3C)C2)c1 ZINC001031963903 701604755 /nfs/dbraw/zinc/60/47/55/701604755.db2.gz YICDOHDEKWVADH-UHFFFAOYSA-N 1 2 327.413 1.085 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC000939559235 699694528 /nfs/dbraw/zinc/69/45/28/699694528.db2.gz CAQIWMVBRYPGTH-RRFJBIMHSA-N 1 2 342.443 1.929 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC000939559235 699694529 /nfs/dbraw/zinc/69/45/29/699694529.db2.gz CAQIWMVBRYPGTH-RRFJBIMHSA-N 1 2 342.443 1.929 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3nc(C)no3)[C@@H](C)C2)nc1 ZINC000939554388 699704524 /nfs/dbraw/zinc/70/45/24/699704524.db2.gz HOJZSZWGJNXPKV-NHYWBVRUSA-N 1 2 325.372 1.005 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)n3cccc3)CC2)C1 ZINC000941641990 701608876 /nfs/dbraw/zinc/60/88/76/701608876.db2.gz IVXOVVQLDVCYQU-QGZVFWFLSA-N 1 2 328.460 1.291 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)c3cccc(Cl)c3)CC2)C1 ZINC000941670993 701613231 /nfs/dbraw/zinc/61/32/31/701613231.db2.gz CKDCLCHVGCIDGX-HNNXBMFYSA-N 1 2 345.874 1.905 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)n3c(C)ccc3C)CC2)C1 ZINC000941677940 701616251 /nfs/dbraw/zinc/61/62/51/701616251.db2.gz YXBVDTWVQVGJHD-KRWDZBQOSA-N 1 2 328.460 1.128 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccoc3C(C)C)CC2)C1 ZINC000941681194 701616262 /nfs/dbraw/zinc/61/62/62/701616262.db2.gz NDKBSHNCSRTMBR-UHFFFAOYSA-N 1 2 329.444 1.868 20 30 EDEDLO C=CCOCC(=O)NC[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001060767224 700529336 /nfs/dbraw/zinc/52/93/36/700529336.db2.gz XAFDOVNWMLQHSU-WKILWMFISA-N 1 2 348.447 1.267 20 30 EDEDLO Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940657154 700819201 /nfs/dbraw/zinc/81/92/01/700819201.db2.gz IPJRSWPYMMUBST-OAHLLOKOSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940657154 700819203 /nfs/dbraw/zinc/81/92/03/700819203.db2.gz IPJRSWPYMMUBST-OAHLLOKOSA-N 1 2 342.403 1.608 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2CCCN(C(C)(C)C)C2=O)C1 ZINC001031912278 700936000 /nfs/dbraw/zinc/93/60/00/700936000.db2.gz JTOXDVASSBUQIZ-AWEZNQCLSA-N 1 2 341.883 1.824 20 30 EDEDLO O=C(C#CC1CC1)N1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000940988498 701042154 /nfs/dbraw/zinc/04/21/54/701042154.db2.gz YFNBYBUAQWSRFN-UHFFFAOYSA-N 1 2 336.395 1.651 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCN(C2C[NH+](Cc3cccc(F)c3)C2)CC1 ZINC000941349603 701483685 /nfs/dbraw/zinc/48/36/85/701483685.db2.gz ZKEYLFAVEVWWBY-AWEZNQCLSA-N 1 2 330.407 1.314 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC000944416098 701888716 /nfs/dbraw/zinc/88/87/16/701888716.db2.gz JYMGUGAVNLGRAG-HNNXBMFYSA-N 1 2 343.431 1.274 20 30 EDEDLO Cn1cccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c1=O ZINC001032136144 701899469 /nfs/dbraw/zinc/89/94/69/701899469.db2.gz DOAQLQWOOYJMIH-UHFFFAOYSA-N 1 2 336.395 1.119 20 30 EDEDLO COc1c(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)cnn1C ZINC001032155289 701946486 /nfs/dbraw/zinc/94/64/86/701946486.db2.gz UDIJKFUYUVTJSZ-UHFFFAOYSA-N 1 2 339.399 1.162 20 30 EDEDLO CCn1ncnc1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC000941968634 702230251 /nfs/dbraw/zinc/23/02/51/702230251.db2.gz YJCYGOLTGRCIAZ-JSGCOSHPSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncnc1C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H](C)C1 ZINC000941968634 702230254 /nfs/dbraw/zinc/23/02/54/702230254.db2.gz YJCYGOLTGRCIAZ-JSGCOSHPSA-N 1 2 341.419 1.138 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]Cc3csnn3)C(C)(C)C2)c1 ZINC000996271362 702662737 /nfs/dbraw/zinc/66/27/37/702662737.db2.gz DSAPBLMJJJMUBN-OAHLLOKOSA-N 1 2 341.440 1.555 20 30 EDEDLO Cc1n[nH]c(C)c1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032057357 703477402 /nfs/dbraw/zinc/47/74/02/703477402.db2.gz IGSJGYONZWAIPS-UHFFFAOYSA-N 1 2 341.390 1.899 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC001032453761 703626110 /nfs/dbraw/zinc/62/61/10/703626110.db2.gz NMWAQHQONCNDDN-FJIDUMEYSA-N 1 2 342.443 1.196 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC001032453761 703626111 /nfs/dbraw/zinc/62/61/11/703626111.db2.gz NMWAQHQONCNDDN-FJIDUMEYSA-N 1 2 342.443 1.196 20 30 EDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001032456391 703634174 /nfs/dbraw/zinc/63/41/74/703634174.db2.gz PBCZTEFDCYDSJG-WNRNVDISSA-N 1 2 326.396 1.061 20 30 EDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001032456391 703634175 /nfs/dbraw/zinc/63/41/75/703634175.db2.gz PBCZTEFDCYDSJG-WNRNVDISSA-N 1 2 326.396 1.061 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C(C)(C)C1 ZINC000995568161 704017986 /nfs/dbraw/zinc/01/79/86/704017986.db2.gz WWBWIHYUEJFAJO-NWDGAFQWSA-N 1 2 333.436 1.853 20 30 EDEDLO Cc1noc([C@H](C)[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)n1 ZINC000995633896 704607547 /nfs/dbraw/zinc/60/75/47/704607547.db2.gz JSHLMAJWLROUPD-HZMBPMFUSA-N 1 2 342.403 1.779 20 30 EDEDLO C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCN(CC#N)CC1 ZINC000997819961 704741006 /nfs/dbraw/zinc/74/10/06/704741006.db2.gz LTIQHPVXDYWERO-AWEZNQCLSA-N 1 2 338.415 1.621 20 30 EDEDLO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)[nH]c1=O ZINC001032606151 705479911 /nfs/dbraw/zinc/47/99/11/705479911.db2.gz OXHUEOVNVQURDH-GJZGRUSLSA-N 1 2 337.383 1.096 20 30 EDEDLO Cn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)[nH]c1=O ZINC001032606151 705479916 /nfs/dbraw/zinc/47/99/16/705479916.db2.gz OXHUEOVNVQURDH-GJZGRUSLSA-N 1 2 337.383 1.096 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC000998627036 706061991 /nfs/dbraw/zinc/06/19/91/706061991.db2.gz CWHAHXRYEOKVAN-FVQSIRDASA-N 1 2 344.459 1.813 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccnc(OC)c1 ZINC001032638182 706079144 /nfs/dbraw/zinc/07/91/44/706079144.db2.gz LZZLOHRRLAQSCN-NXOAAHMSSA-N 1 2 343.427 1.466 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccnc(OC)c1 ZINC001032638182 706079147 /nfs/dbraw/zinc/07/91/47/706079147.db2.gz LZZLOHRRLAQSCN-NXOAAHMSSA-N 1 2 343.427 1.466 20 30 EDEDLO C=C1CCC(C(=O)NC2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000999109010 706536698 /nfs/dbraw/zinc/53/66/98/706536698.db2.gz YPYUOUUKFURUSU-HNNXBMFYSA-N 1 2 342.443 1.519 20 30 EDEDLO C=CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001061615765 707200619 /nfs/dbraw/zinc/20/06/19/707200619.db2.gz VGAZULHQVVOWRA-CQSZACIVSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)C2=COCCO2)CC1 ZINC001005075426 707331209 /nfs/dbraw/zinc/33/12/09/707331209.db2.gz YMZGXQQVCNMQOK-UHFFFAOYSA-N 1 2 345.237 1.706 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1C#N ZINC001032732379 707737339 /nfs/dbraw/zinc/73/73/39/707737339.db2.gz AXDBBQZMDHPHBB-ROUUACIJSA-N 1 2 335.411 1.320 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc3c2ncn3C)C1 ZINC001033413576 707784373 /nfs/dbraw/zinc/78/43/73/707784373.db2.gz GDBGQKZGOHLIDD-GFCCVEGCSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc3c2ncn3C)C1 ZINC001033413576 707784378 /nfs/dbraw/zinc/78/43/78/707784378.db2.gz GDBGQKZGOHLIDD-GFCCVEGCSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001033432041 707818709 /nfs/dbraw/zinc/81/87/09/707818709.db2.gz KMBTYIZYRZGOIH-YUELXQCFSA-N 1 2 335.404 1.307 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001033432041 707818712 /nfs/dbraw/zinc/81/87/12/707818712.db2.gz KMBTYIZYRZGOIH-YUELXQCFSA-N 1 2 335.404 1.307 20 30 EDEDLO CN(C(=O)c1cncn1C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033231985 707908220 /nfs/dbraw/zinc/90/82/20/707908220.db2.gz AYQJQZQDOJUUNL-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1cncn1C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033231985 707908226 /nfs/dbraw/zinc/90/82/26/707908226.db2.gz AYQJQZQDOJUUNL-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1cnn(C)n1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033501575 707968148 /nfs/dbraw/zinc/96/81/48/707968148.db2.gz HKJSRAVVGKANLL-AWEZNQCLSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1cnn(C)n1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033501575 707968151 /nfs/dbraw/zinc/96/81/51/707968151.db2.gz HKJSRAVVGKANLL-AWEZNQCLSA-N 1 2 342.378 1.172 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001000792335 708065919 /nfs/dbraw/zinc/06/59/19/708065919.db2.gz ABHWBBBUSYYGSX-MRXNPFEDSA-N 1 2 340.452 1.843 20 30 EDEDLO CCn1ncc(C[NH+]2CCC(CNC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC001001321134 708130615 /nfs/dbraw/zinc/13/06/15/708130615.db2.gz PXGGBXHWCSTHMS-UHFFFAOYSA-N 1 2 341.419 1.140 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(C)n(C)n3)C2)cn1 ZINC001033599622 708318335 /nfs/dbraw/zinc/31/83/35/708318335.db2.gz SRNRPWJGGMACAG-SFHVURJKSA-N 1 2 337.427 1.451 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C2)cn1 ZINC001033599622 708318337 /nfs/dbraw/zinc/31/83/37/708318337.db2.gz SRNRPWJGGMACAG-SFHVURJKSA-N 1 2 337.427 1.451 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]2C)C1 ZINC001005263820 708465105 /nfs/dbraw/zinc/46/51/05/708465105.db2.gz FEFNIYABTWTMSX-GJZGRUSLSA-N 1 2 330.432 1.593 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001033659616 708471697 /nfs/dbraw/zinc/47/16/97/708471697.db2.gz CDONYFDRGRLIIT-HNNXBMFYSA-N 1 2 346.822 1.561 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cnnn3)c2)C1 ZINC001033659616 708471699 /nfs/dbraw/zinc/47/16/99/708471699.db2.gz CDONYFDRGRLIIT-HNNXBMFYSA-N 1 2 346.822 1.561 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033801072 708793524 /nfs/dbraw/zinc/79/35/24/708793524.db2.gz HBSNDYVMANFDKT-AWEZNQCLSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033801072 708793528 /nfs/dbraw/zinc/79/35/28/708793528.db2.gz HBSNDYVMANFDKT-AWEZNQCLSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033801758 708794776 /nfs/dbraw/zinc/79/47/76/708794776.db2.gz ZAAAEGZAMVAMSE-HNNXBMFYSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033801758 708794779 /nfs/dbraw/zinc/79/47/79/708794779.db2.gz ZAAAEGZAMVAMSE-HNNXBMFYSA-N 1 2 327.388 1.919 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001033831623 708854336 /nfs/dbraw/zinc/85/43/36/708854336.db2.gz DGEKFWOTXLRSOB-ZACQAIPSSA-N 1 2 346.475 1.824 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001033831623 708854340 /nfs/dbraw/zinc/85/43/40/708854340.db2.gz DGEKFWOTXLRSOB-ZACQAIPSSA-N 1 2 346.475 1.824 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H](Nc2cnc(C#N)cn2)C1 ZINC001061094590 709030076 /nfs/dbraw/zinc/03/00/76/709030076.db2.gz GHMUIOIVOUVXSP-QWHCGFSZSA-N 1 2 339.403 1.164 20 30 EDEDLO N#Cc1cnc(N[C@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001061096844 709042966 /nfs/dbraw/zinc/04/29/66/709042966.db2.gz YFHDELPHCAGLNO-QWHCGFSZSA-N 1 2 325.376 1.084 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H](Nc2ccncc2C#N)C1 ZINC001061099359 709079606 /nfs/dbraw/zinc/07/96/06/709079606.db2.gz VNZGMBYEGXYBCP-HUUCEWRRSA-N 1 2 338.415 1.489 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001033961911 709175549 /nfs/dbraw/zinc/17/55/49/709175549.db2.gz YTKRUBDATXGONI-KURKYZTESA-N 1 2 346.475 1.917 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001033961911 709175551 /nfs/dbraw/zinc/17/55/51/709175551.db2.gz YTKRUBDATXGONI-KURKYZTESA-N 1 2 346.475 1.917 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)cc1C#N ZINC000922025666 709451721 /nfs/dbraw/zinc/45/17/21/709451721.db2.gz KOHZLXMEUHFBQJ-HNNXBMFYSA-N 1 2 336.461 1.613 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)cc1C#N ZINC000922025666 709451723 /nfs/dbraw/zinc/45/17/23/709451723.db2.gz KOHZLXMEUHFBQJ-HNNXBMFYSA-N 1 2 336.461 1.613 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001034169051 709480020 /nfs/dbraw/zinc/48/00/20/709480020.db2.gz LTTGMVOSVKWPNO-LBPRGKRZSA-N 1 2 341.253 1.913 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001034169051 709480021 /nfs/dbraw/zinc/48/00/21/709480021.db2.gz LTTGMVOSVKWPNO-LBPRGKRZSA-N 1 2 341.253 1.913 20 30 EDEDLO CN(c1ccc(C#N)cn1)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001061203343 709647102 /nfs/dbraw/zinc/64/71/02/709647102.db2.gz LLZHWROIZKWIBH-HNNXBMFYSA-N 1 2 338.415 1.736 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3cn[nH]n3)C2)c(F)c1 ZINC001034284831 709687045 /nfs/dbraw/zinc/68/70/45/709687045.db2.gz IFURMUDXDJAERG-AWEZNQCLSA-N 1 2 342.378 1.600 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)c3cn[nH]n3)C2)c(F)c1 ZINC001034284831 709687049 /nfs/dbraw/zinc/68/70/49/709687049.db2.gz IFURMUDXDJAERG-AWEZNQCLSA-N 1 2 342.378 1.600 20 30 EDEDLO COc1nc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)co1 ZINC001038556884 709759933 /nfs/dbraw/zinc/75/99/33/709759933.db2.gz ASKMPUHJXMIUBT-AWEZNQCLSA-N 1 2 326.356 1.559 20 30 EDEDLO COc1nc(C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)co1 ZINC001038556884 709759937 /nfs/dbraw/zinc/75/99/37/709759937.db2.gz ASKMPUHJXMIUBT-AWEZNQCLSA-N 1 2 326.356 1.559 20 30 EDEDLO CN(c1ccnc(C#N)n1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001061245426 709942584 /nfs/dbraw/zinc/94/25/84/709942584.db2.gz USFPEQLSYMKMKT-AWEZNQCLSA-N 1 2 339.403 1.062 20 30 EDEDLO N#CCN1CCCC[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001034536259 710207201 /nfs/dbraw/zinc/20/72/01/710207201.db2.gz DJNFHYLKGGQWEB-HNNXBMFYSA-N 1 2 332.473 1.600 20 30 EDEDLO N#CCN1CCCC[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001034536259 710207202 /nfs/dbraw/zinc/20/72/02/710207202.db2.gz DJNFHYLKGGQWEB-HNNXBMFYSA-N 1 2 332.473 1.600 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CN2CCCC2=O)C1 ZINC001032891361 710627206 /nfs/dbraw/zinc/62/72/06/710627206.db2.gz COMGFXMHTSUYGD-GFCCVEGCSA-N 1 2 344.253 1.050 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCCC2=O)C1 ZINC001032891361 710627208 /nfs/dbraw/zinc/62/72/08/710627208.db2.gz COMGFXMHTSUYGD-GFCCVEGCSA-N 1 2 344.253 1.050 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCOC2)C1 ZINC001032953961 710936022 /nfs/dbraw/zinc/93/60/22/710936022.db2.gz SEWSFTOPXSUIBW-OLZOCXBDSA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCOC2)C1 ZINC001032953961 710936026 /nfs/dbraw/zinc/93/60/26/710936026.db2.gz SEWSFTOPXSUIBW-OLZOCXBDSA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001032965812 711019751 /nfs/dbraw/zinc/01/97/51/711019751.db2.gz DOZIJIUKKTYZAJ-OLZOCXBDSA-N 1 2 331.254 1.854 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001032965812 711019756 /nfs/dbraw/zinc/01/97/56/711019756.db2.gz DOZIJIUKKTYZAJ-OLZOCXBDSA-N 1 2 331.254 1.854 20 30 EDEDLO Cc1csc(C[N@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001032990431 711130976 /nfs/dbraw/zinc/13/09/76/711130976.db2.gz DYASLTBMPAHCIU-ZDUSSCGKSA-N 1 2 329.429 1.998 20 30 EDEDLO Cc1csc(C[N@@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001032990431 711130981 /nfs/dbraw/zinc/13/09/81/711130981.db2.gz DYASLTBMPAHCIU-ZDUSSCGKSA-N 1 2 329.429 1.998 20 30 EDEDLO COc1nccc(C[N@@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001032992069 711177804 /nfs/dbraw/zinc/17/78/04/711177804.db2.gz OISLGYGEEGDLDQ-AWEZNQCLSA-N 1 2 340.387 1.031 20 30 EDEDLO COc1nccc(C[N@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001032992069 711177807 /nfs/dbraw/zinc/17/78/07/711177807.db2.gz OISLGYGEEGDLDQ-AWEZNQCLSA-N 1 2 340.387 1.031 20 30 EDEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC001033016852 711277274 /nfs/dbraw/zinc/27/72/74/711277274.db2.gz DJPKUTVVTZTADD-OAHLLOKOSA-N 1 2 343.431 1.091 20 30 EDEDLO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC001033016852 711277275 /nfs/dbraw/zinc/27/72/75/711277275.db2.gz DJPKUTVVTZTADD-OAHLLOKOSA-N 1 2 343.431 1.091 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3n[nH]cc3c2)CC1 ZINC001004468644 711843699 /nfs/dbraw/zinc/84/36/99/711843699.db2.gz IVHLVTMRHMXITG-MRXNPFEDSA-N 1 2 338.415 1.798 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3n[nH]cc3c2)CC1 ZINC001004468644 711843700 /nfs/dbraw/zinc/84/37/00/711843700.db2.gz IVHLVTMRHMXITG-MRXNPFEDSA-N 1 2 338.415 1.798 20 30 EDEDLO N#CCN1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001004470212 711846969 /nfs/dbraw/zinc/84/69/69/711846969.db2.gz SHEKVUKGGKGVEG-SJLPKXTDSA-N 1 2 341.459 1.672 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3nccn3c2)CC1 ZINC001004483270 711874308 /nfs/dbraw/zinc/87/43/08/711874308.db2.gz GVRPGUWDWPODTR-MRXNPFEDSA-N 1 2 338.415 1.569 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3nccn3c2)CC1 ZINC001004483270 711874309 /nfs/dbraw/zinc/87/43/09/711874309.db2.gz GVRPGUWDWPODTR-MRXNPFEDSA-N 1 2 338.415 1.569 20 30 EDEDLO C[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004571912 711996216 /nfs/dbraw/zinc/99/62/16/711996216.db2.gz XGJBWWHNSACKMI-WBVHZDCISA-N 1 2 346.475 1.471 20 30 EDEDLO C[C@@H]1CCCN(C(=O)C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004571912 711996218 /nfs/dbraw/zinc/99/62/18/711996218.db2.gz XGJBWWHNSACKMI-WBVHZDCISA-N 1 2 346.475 1.471 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC001004601902 712024182 /nfs/dbraw/zinc/02/41/82/712024182.db2.gz RNKCLTBSVKUTKK-DLBZAZTESA-N 1 2 346.475 1.662 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CCCCC(=O)N2)CC1 ZINC001004601902 712024185 /nfs/dbraw/zinc/02/41/85/712024185.db2.gz RNKCLTBSVKUTKK-DLBZAZTESA-N 1 2 346.475 1.662 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCN2C(N)=O)CC1 ZINC001004602706 712050569 /nfs/dbraw/zinc/05/05/69/712050569.db2.gz NQSLCEIJUVRXFT-HZPDHXFCSA-N 1 2 347.463 1.146 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCN2C(N)=O)CC1 ZINC001004602706 712050571 /nfs/dbraw/zinc/05/05/71/712050571.db2.gz NQSLCEIJUVRXFT-HZPDHXFCSA-N 1 2 347.463 1.146 20 30 EDEDLO C=C[C@H](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001061544002 712335770 /nfs/dbraw/zinc/33/57/70/712335770.db2.gz YYVDVVAINXZJBG-CABCVRRESA-N 1 2 348.447 1.288 20 30 EDEDLO C=CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001061547515 712347398 /nfs/dbraw/zinc/34/73/98/712347398.db2.gz AORZDRUMYZQSER-CQSZACIVSA-N 1 2 348.447 1.288 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc3c(c2)CCCC(=O)N3)C1 ZINC000329636487 539451647 /nfs/dbraw/zinc/45/16/47/539451647.db2.gz YERFYUWPABYWOP-OAHLLOKOSA-N 1 2 345.447 1.533 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc3c(c2)CCCC(=O)N3)C1 ZINC000329636487 539451650 /nfs/dbraw/zinc/45/16/50/539451650.db2.gz YERFYUWPABYWOP-OAHLLOKOSA-N 1 2 345.447 1.533 20 30 EDEDLO Cc1cc2c(cc1NC(=O)N1CC[C@@H]([NH+]3CCOCC3)C1)OCO2 ZINC000329713699 539459174 /nfs/dbraw/zinc/45/91/74/539459174.db2.gz RWPWBQHERBXSLW-CYBMUJFWSA-N 1 2 333.388 1.676 20 30 EDEDLO [O-]C(=[NH+]CCc1nnc2n1CCCCC2)N1CCn2cc[nH+]c2C1 ZINC000329849695 539468742 /nfs/dbraw/zinc/46/87/42/539468742.db2.gz QAFHYXNWPXYHQG-UHFFFAOYSA-N 1 2 329.408 1.173 20 30 EDEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1ccc2c(c1)OCCO2 ZINC000329979007 539482988 /nfs/dbraw/zinc/48/29/88/539482988.db2.gz ISEAIAGHRDWDSJ-QEORTHHSSA-N 1 2 347.415 1.448 20 30 EDEDLO C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1ccc2c(c1)OCCO2 ZINC000329979007 539482993 /nfs/dbraw/zinc/48/29/93/539482993.db2.gz ISEAIAGHRDWDSJ-QEORTHHSSA-N 1 2 347.415 1.448 20 30 EDEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000329979006 539483296 /nfs/dbraw/zinc/48/32/96/539483296.db2.gz ISEAIAGHRDWDSJ-JDFRZJQESA-N 1 2 347.415 1.448 20 30 EDEDLO C[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000329979006 539483301 /nfs/dbraw/zinc/48/33/01/539483301.db2.gz ISEAIAGHRDWDSJ-JDFRZJQESA-N 1 2 347.415 1.448 20 30 EDEDLO O=C(N[C@H]1CC[S@@](=O)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000330005807 539488284 /nfs/dbraw/zinc/48/82/84/539488284.db2.gz CGORLCYGCJTDGT-TYBWUIIZSA-N 1 2 347.484 1.752 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000332899231 539612429 /nfs/dbraw/zinc/61/24/29/539612429.db2.gz NRPDVUDVTIWNFJ-WBVHZDCISA-N 1 2 344.463 1.556 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(n2cncn2)CC1 ZINC000083169880 138268882 /nfs/dbraw/zinc/26/88/82/138268882.db2.gz IVRQXFHASXZPMB-MRXNPFEDSA-N 1 2 325.372 1.701 20 30 EDEDLO C[C@@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[NH+]1CCOCC1 ZINC000133381435 138392552 /nfs/dbraw/zinc/39/25/52/138392552.db2.gz XQCROOVXSMZWPX-AWEZNQCLSA-N 1 2 344.415 1.052 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC000156837286 138564180 /nfs/dbraw/zinc/56/41/80/138564180.db2.gz BOFYERIJUYBLDZ-UHFFFAOYSA-N 1 2 345.428 1.330 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc(Br)s1 ZINC000111181515 237112289 /nfs/dbraw/zinc/11/22/89/237112289.db2.gz POSRTYPERSGYDZ-UHFFFAOYSA-N 1 2 334.239 1.632 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCO[C@@H](C#N)C1)c1cccc(F)c1 ZINC000106329669 237085609 /nfs/dbraw/zinc/08/56/09/237085609.db2.gz CVIXFOMOTZPDMU-GJZGRUSLSA-N 1 2 343.362 1.583 20 30 EDEDLO COCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000063754471 201051341 /nfs/dbraw/zinc/05/13/41/201051341.db2.gz UQZGCEZLGSNVLJ-UHFFFAOYSA-N 1 2 346.431 1.631 20 30 EDEDLO COCC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000063754471 201051344 /nfs/dbraw/zinc/05/13/44/201051344.db2.gz UQZGCEZLGSNVLJ-UHFFFAOYSA-N 1 2 346.431 1.631 20 30 EDEDLO C#CCOc1ccc(C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cc1 ZINC000073118026 216351717 /nfs/dbraw/zinc/35/17/17/216351717.db2.gz QVBSQTJUIGOFKO-CQSZACIVSA-N 1 2 343.452 1.948 20 30 EDEDLO C=CCN(CCc1ccco1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274196146 201266001 /nfs/dbraw/zinc/26/60/01/201266001.db2.gz GRIQKIKJIPCBOE-UHFFFAOYSA-N 1 2 342.461 1.362 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1)OCC ZINC000275534889 201282575 /nfs/dbraw/zinc/28/25/75/201282575.db2.gz CJSRESIGJLGWNP-CVEARBPZSA-N 1 2 332.448 1.881 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1)OCC ZINC000275534889 201282578 /nfs/dbraw/zinc/28/25/78/201282578.db2.gz CJSRESIGJLGWNP-CVEARBPZSA-N 1 2 332.448 1.881 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1)OCC ZINC000275534890 201283369 /nfs/dbraw/zinc/28/33/69/201283369.db2.gz CJSRESIGJLGWNP-HOTGVXAUSA-N 1 2 332.448 1.881 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1)OCC ZINC000275534890 201283373 /nfs/dbraw/zinc/28/33/73/201283373.db2.gz CJSRESIGJLGWNP-HOTGVXAUSA-N 1 2 332.448 1.881 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000278717329 201305894 /nfs/dbraw/zinc/30/58/94/201305894.db2.gz SKSUAXITXYPLTR-IBGZPJMESA-N 1 2 345.443 1.533 20 30 EDEDLO N#Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000073630573 203270365 /nfs/dbraw/zinc/27/03/65/203270365.db2.gz LEDFCWJWIXMUCU-QGZVFWFLSA-N 1 2 328.416 1.564 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000157268285 205184085 /nfs/dbraw/zinc/18/40/85/205184085.db2.gz CQRARWQWLFPVTC-INIZCTEOSA-N 1 2 349.456 1.567 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000157268285 205184088 /nfs/dbraw/zinc/18/40/88/205184088.db2.gz CQRARWQWLFPVTC-INIZCTEOSA-N 1 2 349.456 1.567 20 30 EDEDLO CCCN(CCC)C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155633268 206021635 /nfs/dbraw/zinc/02/16/35/206021635.db2.gz QGXDRIRPEUQCOR-HNNXBMFYSA-N 1 2 344.463 1.507 20 30 EDEDLO CCCN(CCC)C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155633268 206021641 /nfs/dbraw/zinc/02/16/41/206021641.db2.gz QGXDRIRPEUQCOR-HNNXBMFYSA-N 1 2 344.463 1.507 20 30 EDEDLO N#Cc1ccc(F)cc1CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000158276733 206183841 /nfs/dbraw/zinc/18/38/41/206183841.db2.gz YWQMZKWZXCBECD-UHFFFAOYSA-N 1 2 344.434 1.827 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000266913238 249352448 /nfs/dbraw/zinc/35/24/48/249352448.db2.gz DTGDYUROZHWJLZ-HNNXBMFYSA-N 1 2 344.463 1.273 20 30 EDEDLO C[C@@H]1CC(CNC(=O)NCC2([NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000329514117 249846484 /nfs/dbraw/zinc/84/64/84/249846484.db2.gz LUQKJZQCUMDFHE-ZIAGYGMSSA-N 1 2 325.453 1.558 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)Cc3ccccc3C)CC2)C1=O ZINC000337144089 249959721 /nfs/dbraw/zinc/95/97/21/249959721.db2.gz WFDGCNCIGKURTK-SFHVURJKSA-N 1 2 341.455 1.469 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3cc(F)c(F)cc32)CC1 ZINC000345882280 250037790 /nfs/dbraw/zinc/03/77/90/250037790.db2.gz MJJWXGFWABXFKP-UHFFFAOYSA-N 1 2 347.369 1.332 20 30 EDEDLO N#CCC[N@H+](CCCO[C@H]1CCCCO1)CCN1CCOCC1 ZINC000358831517 250145686 /nfs/dbraw/zinc/14/56/86/250145686.db2.gz PFHSHCKUQKHPIS-KRWDZBQOSA-N 1 2 325.453 1.468 20 30 EDEDLO N#CCC[N@@H+](CCCO[C@H]1CCCCO1)CCN1CCOCC1 ZINC000358831517 250145689 /nfs/dbraw/zinc/14/56/89/250145689.db2.gz PFHSHCKUQKHPIS-KRWDZBQOSA-N 1 2 325.453 1.468 20 30 EDEDLO N#CCCN(CCCO[C@H]1CCCCO1)CC[NH+]1CCOCC1 ZINC000358831517 250145694 /nfs/dbraw/zinc/14/56/94/250145694.db2.gz PFHSHCKUQKHPIS-KRWDZBQOSA-N 1 2 325.453 1.468 20 30 EDEDLO C=C[C@@H](CO)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000358485029 250136969 /nfs/dbraw/zinc/13/69/69/250136969.db2.gz ZTAALFRXJVVGEP-DLBZAZTESA-N 1 2 333.432 1.214 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000362211917 250180357 /nfs/dbraw/zinc/18/03/57/250180357.db2.gz DLOJLVVERZNPJY-QAPCUYQASA-N 1 2 340.427 1.420 20 30 EDEDLO C=CCn1c(C)cc(C(=O)CN2CCC[N@@H+](CC(=O)NC)CC2)c1C ZINC000368830563 250201436 /nfs/dbraw/zinc/20/14/36/250201436.db2.gz RERFCENBDDBYJI-UHFFFAOYSA-N 1 2 346.475 1.227 20 30 EDEDLO C=CCn1c(C)cc(C(=O)CN2CCC[N@H+](CC(=O)NC)CC2)c1C ZINC000368830563 250201441 /nfs/dbraw/zinc/20/14/41/250201441.db2.gz RERFCENBDDBYJI-UHFFFAOYSA-N 1 2 346.475 1.227 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(F)(c2ccccc2OC)CC1 ZINC000370468315 250207420 /nfs/dbraw/zinc/20/74/20/250207420.db2.gz ICCHQWWBMKEGHU-UHFFFAOYSA-N 1 2 349.406 1.968 20 30 EDEDLO C=CCOc1ccc(C[NH+]2CC(n3cc([C@H](C)O)nn3)C2)cc1OC ZINC000374816085 250273571 /nfs/dbraw/zinc/27/35/71/250273571.db2.gz FHZITQNLHCUWOV-ZDUSSCGKSA-N 1 2 344.415 1.962 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)N(C)C(=O)[C@@H]3C2)cc1OC ZINC000376162857 250285457 /nfs/dbraw/zinc/28/54/57/250285457.db2.gz PJKDGUMVWBMQTG-AWEZNQCLSA-N 1 2 345.399 1.338 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)N(C)C(=O)[C@@H]3C2)cc1OC ZINC000376162857 250285462 /nfs/dbraw/zinc/28/54/62/250285462.db2.gz PJKDGUMVWBMQTG-AWEZNQCLSA-N 1 2 345.399 1.338 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1=O ZINC000374064643 250251638 /nfs/dbraw/zinc/25/16/38/250251638.db2.gz YCKLAAROCSEUIL-IRXDYDNUSA-N 1 2 342.443 1.291 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1=O ZINC000374064643 250251641 /nfs/dbraw/zinc/25/16/41/250251641.db2.gz YCKLAAROCSEUIL-IRXDYDNUSA-N 1 2 342.443 1.291 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000442572858 254550579 /nfs/dbraw/zinc/55/05/79/254550579.db2.gz BGHVREPDHBCYAY-QGZVFWFLSA-N 1 2 332.404 1.422 20 30 EDEDLO C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)C1 ZINC000263768314 139359108 /nfs/dbraw/zinc/35/91/08/139359108.db2.gz VYNGMYHYEHNYHF-INIZCTEOSA-N 1 2 326.444 1.939 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488734825 255051792 /nfs/dbraw/zinc/05/17/92/255051792.db2.gz NXMGLMSZYLARJM-MRXNPFEDSA-N 1 2 336.480 1.489 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488734825 255051793 /nfs/dbraw/zinc/05/17/93/255051793.db2.gz NXMGLMSZYLARJM-MRXNPFEDSA-N 1 2 336.480 1.489 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CN2Cc3ccc(OC)cc3C2=O)CC1 ZINC000491067474 255117806 /nfs/dbraw/zinc/11/78/06/255117806.db2.gz IENRAQKJVFBFEJ-UHFFFAOYSA-N 1 2 341.411 1.070 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000490938604 255110882 /nfs/dbraw/zinc/11/08/82/255110882.db2.gz YDOKNBMOWYOWBO-NEPJUHHUSA-N 1 2 330.363 1.973 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(O)c2nc(C)ccc12)[C@H]1CCS(=O)(=O)C1 ZINC000491044718 255115810 /nfs/dbraw/zinc/11/58/10/255115810.db2.gz ILUSFENAFXPBFI-HNNXBMFYSA-N 1 2 344.436 1.871 20 30 EDEDLO C#CC[N@H+](Cc1ccc(O)c2nc(C)ccc12)[C@H]1CCS(=O)(=O)C1 ZINC000491044718 255115812 /nfs/dbraw/zinc/11/58/12/255115812.db2.gz ILUSFENAFXPBFI-HNNXBMFYSA-N 1 2 344.436 1.871 20 30 EDEDLO C#CC[NH+]1CCN(CN2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000491643696 255137061 /nfs/dbraw/zinc/13/70/61/255137061.db2.gz GOYLZZMLTDVQEG-UHFFFAOYSA-N 1 2 332.835 1.790 20 30 EDEDLO C#CC[NH+]1CCN(CN2Cc3c(cccc3Br)C2=O)CC1 ZINC000491668682 255137843 /nfs/dbraw/zinc/13/78/43/255137843.db2.gz ZUSTYSHETZYISW-UHFFFAOYSA-N 1 2 348.244 1.613 20 30 EDEDLO Cc1cnccc1/C=C\C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000493203675 255196560 /nfs/dbraw/zinc/19/65/60/255196560.db2.gz IIKCBTCHHSZNIW-ARJAWSKDSA-N 1 2 328.416 1.478 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495103600 255268714 /nfs/dbraw/zinc/26/87/14/255268714.db2.gz FKTLIWIAWGBMSF-UONOGXRCSA-N 1 2 341.452 1.293 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495103600 255268715 /nfs/dbraw/zinc/26/87/15/255268715.db2.gz FKTLIWIAWGBMSF-UONOGXRCSA-N 1 2 341.452 1.293 20 30 EDEDLO C=CCN(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495979015 255336371 /nfs/dbraw/zinc/33/63/71/255336371.db2.gz LISRJQYSZYAWAA-ZDUSSCGKSA-N 1 2 326.441 1.365 20 30 EDEDLO C=CCN(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495979015 255336372 /nfs/dbraw/zinc/33/63/72/255336372.db2.gz LISRJQYSZYAWAA-ZDUSSCGKSA-N 1 2 326.441 1.365 20 30 EDEDLO C[C@@H](C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1)CS(C)(=O)=O ZINC000119302656 221288855 /nfs/dbraw/zinc/28/88/55/221288855.db2.gz TXDUVQUSRFCOGR-RDJZCZTQSA-N 1 2 335.473 1.550 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247366692 533499005 /nfs/dbraw/zinc/49/90/05/533499005.db2.gz OWPSJAKRYWMBFL-OAHLLOKOSA-N 1 2 342.447 1.283 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000247366692 533499012 /nfs/dbraw/zinc/49/90/12/533499012.db2.gz OWPSJAKRYWMBFL-OAHLLOKOSA-N 1 2 342.447 1.283 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270483590 140109064 /nfs/dbraw/zinc/10/90/64/140109064.db2.gz AARDOPYYAKUWCL-AWEZNQCLSA-N 1 2 346.818 1.847 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270483590 140109066 /nfs/dbraw/zinc/10/90/66/140109066.db2.gz AARDOPYYAKUWCL-AWEZNQCLSA-N 1 2 346.818 1.847 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(CCC(N)=O)CC2)cc1 ZINC000271248451 140263815 /nfs/dbraw/zinc/26/38/15/140263815.db2.gz RBNRWONVIJKHOJ-UHFFFAOYSA-N 1 2 349.456 1.309 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1 ZINC000331957278 141102991 /nfs/dbraw/zinc/10/29/91/141102991.db2.gz PVHZZFLGNDXZIL-CYBMUJFWSA-N 1 2 348.403 1.750 20 30 EDEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1cccc(C#N)c1 ZINC000332257504 141148223 /nfs/dbraw/zinc/14/82/23/141148223.db2.gz CXFFNHUULFHWRU-UHFFFAOYSA-N 1 2 330.413 1.912 20 30 EDEDLO Cc1cc(C[N@H+]2C[C@H](F)C[C@H]2CN(C)c2cnc(C#N)cn2)on1 ZINC000347037667 143274837 /nfs/dbraw/zinc/27/48/37/143274837.db2.gz NLUVEDPEZLOPEH-OCCSQVGLSA-N 1 2 330.367 1.694 20 30 EDEDLO Cc1cc(C[N@@H+]2C[C@H](F)C[C@H]2CN(C)c2cnc(C#N)cn2)on1 ZINC000347037667 143274838 /nfs/dbraw/zinc/27/48/38/143274838.db2.gz NLUVEDPEZLOPEH-OCCSQVGLSA-N 1 2 330.367 1.694 20 30 EDEDLO CO[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000347174315 143291009 /nfs/dbraw/zinc/29/10/09/143291009.db2.gz CFAXHSJTVFICAJ-KBPBESRZSA-N 1 2 325.206 1.902 20 30 EDEDLO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000347174315 143291010 /nfs/dbraw/zinc/29/10/10/143291010.db2.gz CFAXHSJTVFICAJ-KBPBESRZSA-N 1 2 325.206 1.902 20 30 EDEDLO CC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1[nH]cc[nH+]1 ZINC000347956153 143383433 /nfs/dbraw/zinc/38/34/33/143383433.db2.gz LLJJENATQKMPBW-AWEZNQCLSA-N 1 2 346.412 1.464 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000351498871 143573290 /nfs/dbraw/zinc/57/32/90/143573290.db2.gz WKMVAXBNYLQWOX-HZPDHXFCSA-N 1 2 341.390 1.634 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000355493109 150291495 /nfs/dbraw/zinc/29/14/95/150291495.db2.gz BHADZJMZPMEDPH-ZDUSSCGKSA-N 1 2 333.436 1.957 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000355493109 150291498 /nfs/dbraw/zinc/29/14/98/150291498.db2.gz BHADZJMZPMEDPH-ZDUSSCGKSA-N 1 2 333.436 1.957 20 30 EDEDLO CN(C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1ccnc(C#N)c1 ZINC000357679209 151113195 /nfs/dbraw/zinc/11/31/95/151113195.db2.gz HNNNADUQFQKIMX-XJKSGUPXSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)c1ccccc1C#N ZINC000364542911 153264032 /nfs/dbraw/zinc/26/40/32/153264032.db2.gz ORABOIYRXUXTBU-UHFFFAOYSA-N 1 2 330.413 1.912 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000367194557 154036468 /nfs/dbraw/zinc/03/64/68/154036468.db2.gz ZNZPSXKQMBVTDZ-HNNXBMFYSA-N 1 2 346.412 1.416 20 30 EDEDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3cn4ccccc4c3C#N)CCN2C1=O ZINC000369446495 155038700 /nfs/dbraw/zinc/03/87/00/155038700.db2.gz YPZVADOIYZBANL-INIZCTEOSA-N 1 2 337.383 1.279 20 30 EDEDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cn4ccccc4c3C#N)CCN2C1=O ZINC000369446495 155038706 /nfs/dbraw/zinc/03/87/06/155038706.db2.gz YPZVADOIYZBANL-INIZCTEOSA-N 1 2 337.383 1.279 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)cc1 ZINC000370556831 155551737 /nfs/dbraw/zinc/55/17/37/155551737.db2.gz MINSVCWXSFFAPB-GOSISDBHSA-N 1 2 329.400 1.169 20 30 EDEDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)CCc2ccc(C#N)cc2)no1 ZINC000121205677 221785921 /nfs/dbraw/zinc/78/59/21/221785921.db2.gz MSDPMULWTWDRMY-UHFFFAOYSA-N 1 2 341.415 1.987 20 30 EDEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000425388574 270012448 /nfs/dbraw/zinc/01/24/48/270012448.db2.gz SIPODXZEOYBHBW-AWEZNQCLSA-N 1 2 340.427 1.384 20 30 EDEDLO CCCCC[N@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290313005 270010616 /nfs/dbraw/zinc/01/06/16/270010616.db2.gz NTLXGJHHIKZADN-UHFFFAOYSA-N 1 2 325.434 1.211 20 30 EDEDLO CCCCC[N@@H+](CCO)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000290313005 270010617 /nfs/dbraw/zinc/01/06/17/270010617.db2.gz NTLXGJHHIKZADN-UHFFFAOYSA-N 1 2 325.434 1.211 20 30 EDEDLO CCC(CC)NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000283236685 266004262 /nfs/dbraw/zinc/00/42/62/266004262.db2.gz KRYOWESFQYYCJW-UHFFFAOYSA-N 1 2 342.443 1.507 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)c1cnccc1C#N ZINC000290891411 266556287 /nfs/dbraw/zinc/55/62/87/266556287.db2.gz CXAQNGPAFMGDRD-GJZGRUSLSA-N 1 2 328.395 1.736 20 30 EDEDLO CCN(C1CC[NH+](Cc2cccc(F)c2C#N)CC1)S(C)(=O)=O ZINC000428376591 267053933 /nfs/dbraw/zinc/05/39/33/267053933.db2.gz SXYYYUIPBYKJKB-UHFFFAOYSA-N 1 2 339.436 1.943 20 30 EDEDLO C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000296187858 267110868 /nfs/dbraw/zinc/11/08/68/267110868.db2.gz LONJEPVCBBCMCN-CZUORRHYSA-N 1 2 339.399 1.528 20 30 EDEDLO C[C@@H]1[C@H](O)CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000296187858 267110871 /nfs/dbraw/zinc/11/08/71/267110871.db2.gz LONJEPVCBBCMCN-CZUORRHYSA-N 1 2 339.399 1.528 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296909648 267137376 /nfs/dbraw/zinc/13/73/76/267137376.db2.gz WFOHOVSJAXHCQN-IUODEOHRSA-N 1 2 330.388 1.658 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296909648 267137379 /nfs/dbraw/zinc/13/73/79/267137379.db2.gz WFOHOVSJAXHCQN-IUODEOHRSA-N 1 2 330.388 1.658 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280645630 267139542 /nfs/dbraw/zinc/13/95/42/267139542.db2.gz ZSUHHUQEUWTKBG-HBUWYVDXSA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280645630 267139543 /nfs/dbraw/zinc/13/95/43/267139543.db2.gz ZSUHHUQEUWTKBG-HBUWYVDXSA-N 1 2 329.400 1.765 20 30 EDEDLO Cc1csc(=O)n1CC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000289490840 267546803 /nfs/dbraw/zinc/54/68/03/267546803.db2.gz PCNRELMJRUXRFR-UHFFFAOYSA-N 1 2 349.485 1.677 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)o2)cc1 ZINC000285421800 268028560 /nfs/dbraw/zinc/02/85/60/268028560.db2.gz VSTUSSDFZQCVLT-GOSISDBHSA-N 1 2 340.383 1.990 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCO[C@]4(CCCOC4)C3)o2)cc1 ZINC000285421800 268028568 /nfs/dbraw/zinc/02/85/68/268028568.db2.gz VSTUSSDFZQCVLT-GOSISDBHSA-N 1 2 340.383 1.990 20 30 EDEDLO Cc1nc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)ccc1C#N ZINC000433970583 268073356 /nfs/dbraw/zinc/07/33/56/268073356.db2.gz RZEDVRQVLKWQIR-UHFFFAOYSA-N 1 2 349.394 1.357 20 30 EDEDLO Cc1nc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)ccc1C#N ZINC000433970583 268073358 /nfs/dbraw/zinc/07/33/58/268073358.db2.gz RZEDVRQVLKWQIR-UHFFFAOYSA-N 1 2 349.394 1.357 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000407992988 268284974 /nfs/dbraw/zinc/28/49/74/268284974.db2.gz VQIOKSCCWZYNLN-HOCLYGCPSA-N 1 2 344.440 1.557 20 30 EDEDLO N#Cc1ccnc(NCc2ccc(C[NH+]3CCOCC3)o2)c1[N+](=O)[O-] ZINC000302256029 268298469 /nfs/dbraw/zinc/29/84/69/268298469.db2.gz BWHJJPIKIODKEZ-UHFFFAOYSA-N 1 2 343.343 1.899 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000528461732 268301781 /nfs/dbraw/zinc/30/17/81/268301781.db2.gz VTAMMWZUYZSXIE-QZTJIDSGSA-N 1 2 346.427 1.425 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000528461732 268301783 /nfs/dbraw/zinc/30/17/83/268301783.db2.gz VTAMMWZUYZSXIE-QZTJIDSGSA-N 1 2 346.427 1.425 20 30 EDEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278781191 268731611 /nfs/dbraw/zinc/73/16/11/268731611.db2.gz DBXTZCNTIUSUPB-MRXNPFEDSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278781191 268731615 /nfs/dbraw/zinc/73/16/15/268731615.db2.gz DBXTZCNTIUSUPB-MRXNPFEDSA-N 1 2 337.420 1.697 20 30 EDEDLO CC(C)CO[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000532346829 269612263 /nfs/dbraw/zinc/61/22/63/269612263.db2.gz RLABVAWASJKXRJ-SJORKVTESA-N 1 2 341.411 1.937 20 30 EDEDLO CC(C)CO[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000532346829 269612264 /nfs/dbraw/zinc/61/22/64/269612264.db2.gz RLABVAWASJKXRJ-SJORKVTESA-N 1 2 341.411 1.937 20 30 EDEDLO Cc1nc(N2CCN(C(=O)c3cccc(F)c3C#N)CC2)cc[nH+]1 ZINC000187606279 272951009 /nfs/dbraw/zinc/95/10/09/272951009.db2.gz UOZJGOCTXQQADQ-UHFFFAOYSA-N 1 2 325.347 1.758 20 30 EDEDLO CCc1ccc(C#CC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000293760437 276665703 /nfs/dbraw/zinc/66/57/03/276665703.db2.gz XRSJHRNIYKMZHD-QFBILLFUSA-N 1 2 326.440 1.922 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272651167 279236282 /nfs/dbraw/zinc/23/62/82/279236282.db2.gz ZISMIGWVVNOIGU-LLVKDONJSA-N 1 2 327.388 1.809 20 30 EDEDLO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000118391195 290219830 /nfs/dbraw/zinc/21/98/30/290219830.db2.gz JVZAAMKWHFQBCJ-MRXNPFEDSA-N 1 2 326.444 1.859 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000373797365 300237479 /nfs/dbraw/zinc/23/74/79/300237479.db2.gz OEUBMTAYAULKHA-LPHOPBHVSA-N 1 2 349.475 1.941 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000373797365 300237482 /nfs/dbraw/zinc/23/74/82/300237482.db2.gz OEUBMTAYAULKHA-LPHOPBHVSA-N 1 2 349.475 1.941 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C\c3ccc(OCC#N)cc3)C[C@@H]21 ZINC000493657475 447359625 /nfs/dbraw/zinc/35/96/25/447359625.db2.gz SPHTVAOBMQNTPG-WMJZJUHNSA-N 1 2 341.411 1.534 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C\c3ccc(OCC#N)cc3)C[C@@H]21 ZINC000493657475 447359631 /nfs/dbraw/zinc/35/96/31/447359631.db2.gz SPHTVAOBMQNTPG-WMJZJUHNSA-N 1 2 341.411 1.534 20 30 EDEDLO C[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C(N)=O)C1 ZINC000426271224 447411186 /nfs/dbraw/zinc/41/11/86/447411186.db2.gz MKRIHYHCXNAMFG-FZMZJTMJSA-N 1 2 325.372 1.694 20 30 EDEDLO C[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C(N)=O)C1 ZINC000426271224 447411192 /nfs/dbraw/zinc/41/11/92/447411192.db2.gz MKRIHYHCXNAMFG-FZMZJTMJSA-N 1 2 325.372 1.694 20 30 EDEDLO C=CCOc1ccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC000046888299 441135093 /nfs/dbraw/zinc/13/50/93/441135093.db2.gz WVPNFUINBVXTBZ-AWEZNQCLSA-N 1 2 334.416 1.711 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000072577938 441238903 /nfs/dbraw/zinc/23/89/03/441238903.db2.gz ZDJHDYCWYJJBRE-UHFFFAOYSA-N 1 2 346.456 1.971 20 30 EDEDLO N#CCSc1ccccc1NC(=O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000072577938 441238909 /nfs/dbraw/zinc/23/89/09/441238909.db2.gz ZDJHDYCWYJJBRE-UHFFFAOYSA-N 1 2 346.456 1.971 20 30 EDEDLO COc1cc[nH+]cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000105752341 441267663 /nfs/dbraw/zinc/26/76/63/441267663.db2.gz IERPFWSUYQIHCW-UHFFFAOYSA-N 1 2 328.303 1.356 20 30 EDEDLO C[C@](C#N)(NC(=O)CN1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000022849085 441286734 /nfs/dbraw/zinc/28/67/34/441286734.db2.gz HZWOJMKORDDRGN-QGZVFWFLSA-N 1 2 332.473 1.674 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000024791473 441320839 /nfs/dbraw/zinc/32/08/39/441320839.db2.gz ZAMAAJVXASWKCT-OAHLLOKOSA-N 1 2 330.432 1.517 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000074215214 441408682 /nfs/dbraw/zinc/40/86/82/441408682.db2.gz QOZFSAJBIAAMRW-AWEZNQCLSA-N 1 2 333.407 1.664 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000074215214 441408685 /nfs/dbraw/zinc/40/86/85/441408685.db2.gz QOZFSAJBIAAMRW-AWEZNQCLSA-N 1 2 333.407 1.664 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(F)c(NC(=O)OC)c2)CC1 ZINC000085276002 441431815 /nfs/dbraw/zinc/43/18/15/441431815.db2.gz MCSRXKDWKQYRKP-UHFFFAOYSA-N 1 2 348.378 1.193 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc(C(N)=O)c3)CC2)cc1 ZINC000028434463 441432727 /nfs/dbraw/zinc/43/27/27/441432727.db2.gz AIRCIRISCGOIIR-UHFFFAOYSA-N 1 2 348.406 1.615 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607988 441515323 /nfs/dbraw/zinc/51/53/23/441515323.db2.gz ZQXKUZFQSQRHCD-LLVKDONJSA-N 1 2 332.360 1.353 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607988 441515326 /nfs/dbraw/zinc/51/53/26/441515326.db2.gz ZQXKUZFQSQRHCD-LLVKDONJSA-N 1 2 332.360 1.353 20 30 EDEDLO C=CC1CC[NH+]([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000111693169 441540137 /nfs/dbraw/zinc/54/01/37/441540137.db2.gz YZZXRGNPDYXOPL-HIFRSBDPSA-N 1 2 328.478 1.309 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN(S(=O)(=O)c1ccc(C#N)nc1)C2 ZINC000113299532 441599797 /nfs/dbraw/zinc/59/97/97/441599797.db2.gz CKZHYYQNZNZDBM-UHFFFAOYSA-N 1 2 345.428 1.557 20 30 EDEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000092843378 441832689 /nfs/dbraw/zinc/83/26/89/441832689.db2.gz PAWRHPHHWFYMNU-AWEZNQCLSA-N 1 2 332.429 1.325 20 30 EDEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000092843378 441832695 /nfs/dbraw/zinc/83/26/95/441832695.db2.gz PAWRHPHHWFYMNU-AWEZNQCLSA-N 1 2 332.429 1.325 20 30 EDEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]O[C@@H](C)c3nnc(C)o3)cn2)n1 ZINC000122237660 441840972 /nfs/dbraw/zinc/84/09/72/441840972.db2.gz CKLYHOKPEHMKIQ-NSHDSACASA-N 1 2 341.375 1.974 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(SC)c(OC)c2)CC1 ZINC000068802577 441854914 /nfs/dbraw/zinc/85/49/14/441854914.db2.gz UEDJEVCBAWZBNB-UHFFFAOYSA-N 1 2 349.500 1.837 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(SC)c(OC)c2)CC1 ZINC000068802577 441854916 /nfs/dbraw/zinc/85/49/16/441854916.db2.gz UEDJEVCBAWZBNB-UHFFFAOYSA-N 1 2 349.500 1.837 20 30 EDEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000124188350 441911036 /nfs/dbraw/zinc/91/10/36/441911036.db2.gz ASGWDPINQBENKN-UHFFFAOYSA-N 1 2 329.372 1.551 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000118999120 441912612 /nfs/dbraw/zinc/91/26/12/441912612.db2.gz DQBNCOWUDCMTPP-HNNXBMFYSA-N 1 2 335.363 1.557 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000068959916 441875239 /nfs/dbraw/zinc/87/52/39/441875239.db2.gz JHXLEDGPZFLDQI-CRAIPNDOSA-N 1 2 334.464 1.518 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000068959916 441875246 /nfs/dbraw/zinc/87/52/46/441875246.db2.gz JHXLEDGPZFLDQI-CRAIPNDOSA-N 1 2 334.464 1.518 20 30 EDEDLO Cc1cc(C)cc(NC(=O)CN(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000078681501 441961457 /nfs/dbraw/zinc/96/14/57/441961457.db2.gz LISRTSPDDLTYFF-UHFFFAOYSA-N 1 2 344.459 1.790 20 30 EDEDLO NC(CCO)=[NH+]OCc1nnc(-c2ccccc2Br)o1 ZINC000121355052 442207092 /nfs/dbraw/zinc/20/70/92/442207092.db2.gz BXSQSEZFDZJAIT-UHFFFAOYSA-N 1 2 341.165 1.670 20 30 EDEDLO N#CCOc1ccc(CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000152709737 442239537 /nfs/dbraw/zinc/23/95/37/442239537.db2.gz REDMVTPCTAOFHS-MRXNPFEDSA-N 1 2 336.395 1.922 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000128512932 442271854 /nfs/dbraw/zinc/27/18/54/442271854.db2.gz DMWKWOCETQMXIE-AWEZNQCLSA-N 1 2 327.432 1.371 20 30 EDEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000153901198 442310162 /nfs/dbraw/zinc/31/01/62/442310162.db2.gz OPWJFCZAKGRGLU-CQSZACIVSA-N 1 2 337.427 1.705 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)NCc1ccc(OCC#N)cc1)[NH+]1CCOCC1 ZINC000171683982 442370177 /nfs/dbraw/zinc/37/01/77/442370177.db2.gz YSBINONLNOLCIN-LSDHHAIUSA-N 1 2 346.431 1.497 20 30 EDEDLO C[N@H+](CCS(C)(=O)=O)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000155148529 442378546 /nfs/dbraw/zinc/37/85/46/442378546.db2.gz GDGMXAXIQILCJO-UHFFFAOYSA-N 1 2 346.456 1.940 20 30 EDEDLO C[N@@H+](CCS(C)(=O)=O)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000155148529 442378548 /nfs/dbraw/zinc/37/85/48/442378548.db2.gz GDGMXAXIQILCJO-UHFFFAOYSA-N 1 2 346.456 1.940 20 30 EDEDLO N#CCCCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000178077699 442405879 /nfs/dbraw/zinc/40/58/79/442405879.db2.gz NUEPYNNLKPXJFG-UHFFFAOYSA-N 1 2 343.431 1.320 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000178425554 442432477 /nfs/dbraw/zinc/43/24/77/442432477.db2.gz HXRYBNFJSAOJFM-UHFFFAOYSA-N 1 2 349.394 1.549 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000178468365 442436433 /nfs/dbraw/zinc/43/64/33/442436433.db2.gz FZOLXNXTFJSYDH-KGLIPLIRSA-N 1 2 344.415 1.031 20 30 EDEDLO C=CCC1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CCC1 ZINC000191680277 442489158 /nfs/dbraw/zinc/48/91/58/442489158.db2.gz DNEAMCVWBSDOTQ-UHFFFAOYSA-N 1 2 333.476 1.890 20 30 EDEDLO C=CCC1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CCC1 ZINC000191680277 442489164 /nfs/dbraw/zinc/48/91/64/442489164.db2.gz DNEAMCVWBSDOTQ-UHFFFAOYSA-N 1 2 333.476 1.890 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186081020 442459446 /nfs/dbraw/zinc/45/94/46/442459446.db2.gz LIRIEKCLJNUGQT-NVXWUHKLSA-N 1 2 345.443 1.720 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186081020 442459450 /nfs/dbraw/zinc/45/94/50/442459450.db2.gz LIRIEKCLJNUGQT-NVXWUHKLSA-N 1 2 345.443 1.720 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000134949207 442540279 /nfs/dbraw/zinc/54/02/79/442540279.db2.gz RQBKPNSMDIAYSJ-UHFFFAOYSA-N 1 2 331.847 1.611 20 30 EDEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@@H]3CCNC3=O)c2)n1 ZINC000179119093 442576313 /nfs/dbraw/zinc/57/63/13/442576313.db2.gz JTHKUNAIPSZIEO-OAHLLOKOSA-N 1 2 327.388 1.074 20 30 EDEDLO CC(C)Oc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1C#N ZINC000157721487 442606872 /nfs/dbraw/zinc/60/68/72/442606872.db2.gz LLIJNRAVKSESPW-DOTOQJQBSA-N 1 2 344.415 1.892 20 30 EDEDLO CC(C)Oc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1C#N ZINC000157721487 442606879 /nfs/dbraw/zinc/60/68/79/442606879.db2.gz LLIJNRAVKSESPW-DOTOQJQBSA-N 1 2 344.415 1.892 20 30 EDEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CCC)Cc1ccccc1C#N ZINC000180600744 442632176 /nfs/dbraw/zinc/63/21/76/442632176.db2.gz KGTIOUFWHGCJLK-INIZCTEOSA-N 1 2 330.432 1.540 20 30 EDEDLO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1ccccc1C#N ZINC000180600744 442632179 /nfs/dbraw/zinc/63/21/79/442632179.db2.gz KGTIOUFWHGCJLK-INIZCTEOSA-N 1 2 330.432 1.540 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000188142975 442715964 /nfs/dbraw/zinc/71/59/64/442715964.db2.gz LUJVLFKTRSTGIJ-SFHVURJKSA-N 1 2 333.432 1.763 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000248581645 442902049 /nfs/dbraw/zinc/90/20/49/442902049.db2.gz OUFFCMJXNFSLHE-DAXOMENPSA-N 1 2 339.386 1.946 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000248581645 442902052 /nfs/dbraw/zinc/90/20/52/442902052.db2.gz OUFFCMJXNFSLHE-DAXOMENPSA-N 1 2 339.386 1.946 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249023791 442945028 /nfs/dbraw/zinc/94/50/28/442945028.db2.gz RDVAHQRYMROEHD-LPHOPBHVSA-N 1 2 343.427 1.813 20 30 EDEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249023791 442945031 /nfs/dbraw/zinc/94/50/31/442945031.db2.gz RDVAHQRYMROEHD-LPHOPBHVSA-N 1 2 343.427 1.813 20 30 EDEDLO C[C@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)N(C)C ZINC000194959476 442972006 /nfs/dbraw/zinc/97/20/06/442972006.db2.gz MOHROLDVXLOYAN-ZDUSSCGKSA-N 1 2 328.416 1.116 20 30 EDEDLO C[C@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)N(C)C ZINC000194959476 442972012 /nfs/dbraw/zinc/97/20/12/442972012.db2.gz MOHROLDVXLOYAN-ZDUSSCGKSA-N 1 2 328.416 1.116 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@]12CCOC2 ZINC000249556559 442986963 /nfs/dbraw/zinc/98/69/63/442986963.db2.gz MABHUWKSEHRDSB-IEBWSBKVSA-N 1 2 333.428 1.646 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@]12CCOC2 ZINC000249556559 442986966 /nfs/dbraw/zinc/98/69/66/442986966.db2.gz MABHUWKSEHRDSB-IEBWSBKVSA-N 1 2 333.428 1.646 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000268468455 442999785 /nfs/dbraw/zinc/99/97/85/442999785.db2.gz LYZNVDRUCYZMQK-QAPCUYQASA-N 1 2 332.448 1.557 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000268468455 442999790 /nfs/dbraw/zinc/99/97/90/442999790.db2.gz LYZNVDRUCYZMQK-QAPCUYQASA-N 1 2 332.448 1.557 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189673545 442992445 /nfs/dbraw/zinc/99/24/45/442992445.db2.gz NOWCEZFPMIMDIB-OAHLLOKOSA-N 1 2 343.475 1.998 20 30 EDEDLO C=CCNC(=O)CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000184287050 443009026 /nfs/dbraw/zinc/00/90/26/443009026.db2.gz PJLHFNVMIDXBCG-ZDUSSCGKSA-N 1 2 336.461 1.439 20 30 EDEDLO COC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccco1 ZINC000184561015 443040166 /nfs/dbraw/zinc/04/01/66/443040166.db2.gz NSZIDCPLHUWAIZ-HNNXBMFYSA-N 1 2 334.397 1.902 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3COC(=O)C3)CC2)cc1 ZINC000268752897 443098094 /nfs/dbraw/zinc/09/80/94/443098094.db2.gz YHZZLUDXWVLCEH-MRXNPFEDSA-N 1 2 327.384 1.156 20 30 EDEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCOC1 ZINC000266492711 443145801 /nfs/dbraw/zinc/14/58/01/443145801.db2.gz DJSMGSIWPJXJDT-CRAIPNDOSA-N 1 2 342.443 1.810 20 30 EDEDLO CCOC(=O)[C@H](C)[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000190813039 443187984 /nfs/dbraw/zinc/18/79/84/443187984.db2.gz JSVFAGFEPQTOOZ-BBRMVZONSA-N 1 2 332.400 1.714 20 30 EDEDLO CCOC(=O)[C@H](C)[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CC1 ZINC000190813039 443187986 /nfs/dbraw/zinc/18/79/86/443187986.db2.gz JSVFAGFEPQTOOZ-BBRMVZONSA-N 1 2 332.400 1.714 20 30 EDEDLO N#C[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCN1Cc1ccccc1 ZINC000610989469 450399525 /nfs/dbraw/zinc/39/95/25/450399525.db2.gz JIURJGGMNLOLKN-HKUYNNGSSA-N 1 2 349.438 1.682 20 30 EDEDLO C=CCN(CCOC)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000190937754 443211830 /nfs/dbraw/zinc/21/18/30/443211830.db2.gz CAXCIYUSAQAFRL-UHFFFAOYSA-N 1 2 334.420 1.262 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245798441 443250495 /nfs/dbraw/zinc/25/04/95/443250495.db2.gz YQCUGTAISCYSJF-UKRRQHHQSA-N 1 2 344.463 1.870 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245798441 443250496 /nfs/dbraw/zinc/25/04/96/443250496.db2.gz YQCUGTAISCYSJF-UKRRQHHQSA-N 1 2 344.463 1.870 20 30 EDEDLO CCc1nc(CN2CC[NH+](CCOc3ccccc3C#N)CC2)no1 ZINC000266864616 443272347 /nfs/dbraw/zinc/27/23/47/443272347.db2.gz LZQOAFQQCHGYDF-UHFFFAOYSA-N 1 2 341.415 1.700 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)c2ncnc3c2C[N@H+](C)CC3)c1 ZINC000269344394 443288368 /nfs/dbraw/zinc/28/83/68/443288368.db2.gz PWKHPBFQXOMMSJ-UHFFFAOYSA-N 1 2 335.411 1.521 20 30 EDEDLO C#Cc1cccc(NC(=O)CN(C)c2ncnc3c2C[N@@H+](C)CC3)c1 ZINC000269344394 443288372 /nfs/dbraw/zinc/28/83/72/443288372.db2.gz PWKHPBFQXOMMSJ-UHFFFAOYSA-N 1 2 335.411 1.521 20 30 EDEDLO C=CC[N@@H+](C[C@H](O)c1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000264576467 443333476 /nfs/dbraw/zinc/33/34/76/443333476.db2.gz UGWQYTUNUCURGK-WFASDCNBSA-N 1 2 331.384 1.673 20 30 EDEDLO C=CC[N@H+](C[C@H](O)c1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000264576467 443333479 /nfs/dbraw/zinc/33/34/79/443333479.db2.gz UGWQYTUNUCURGK-WFASDCNBSA-N 1 2 331.384 1.673 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+](CCO)Cc2cccnc2)c(C#N)c1C ZINC000269661361 443384198 /nfs/dbraw/zinc/38/41/98/443384198.db2.gz XPNPNRPXXIOWBP-UHFFFAOYSA-N 1 2 328.372 1.596 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+](CCO)Cc2cccnc2)c(C#N)c1C ZINC000269661361 443384205 /nfs/dbraw/zinc/38/42/05/443384205.db2.gz XPNPNRPXXIOWBP-UHFFFAOYSA-N 1 2 328.372 1.596 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000269592711 443358539 /nfs/dbraw/zinc/35/85/39/443358539.db2.gz IUQHFNGSRJPIQJ-WFASDCNBSA-N 1 2 347.440 1.866 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000269592711 443358541 /nfs/dbraw/zinc/35/85/41/443358541.db2.gz IUQHFNGSRJPIQJ-WFASDCNBSA-N 1 2 347.440 1.866 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278899736 443473290 /nfs/dbraw/zinc/47/32/90/443473290.db2.gz RJRLEMGRLWKQBX-UONOGXRCSA-N 1 2 334.395 1.824 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278899736 443473295 /nfs/dbraw/zinc/47/32/95/443473295.db2.gz RJRLEMGRLWKQBX-UONOGXRCSA-N 1 2 334.395 1.824 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1)C1CC1 ZINC000278914236 443474316 /nfs/dbraw/zinc/47/43/16/443474316.db2.gz UACCHLYWLCGLDG-KBXCAEBGSA-N 1 2 346.406 1.872 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1)C1CC1 ZINC000278914236 443474319 /nfs/dbraw/zinc/47/43/19/443474319.db2.gz UACCHLYWLCGLDG-KBXCAEBGSA-N 1 2 346.406 1.872 20 30 EDEDLO COCCCn1nccc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000282885075 443459889 /nfs/dbraw/zinc/45/98/89/443459889.db2.gz XCFFHMHYUBHFCX-UHFFFAOYSA-N 1 2 340.431 1.508 20 30 EDEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)OCC ZINC000270182874 443461909 /nfs/dbraw/zinc/46/19/09/443461909.db2.gz NHBZVFZVPAUFEP-HUUCEWRRSA-N 1 2 347.463 1.975 20 30 EDEDLO C=C(C)[C@@H](CC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)OCC ZINC000270182874 443461912 /nfs/dbraw/zinc/46/19/12/443461912.db2.gz NHBZVFZVPAUFEP-HUUCEWRRSA-N 1 2 347.463 1.975 20 30 EDEDLO C=C(C)[C@H](CC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1)OCC ZINC000270225606 443464236 /nfs/dbraw/zinc/46/42/36/443464236.db2.gz UMOUKWPWKITAGA-KBPBESRZSA-N 1 2 325.478 1.993 20 30 EDEDLO C=C(C)[C@@H](CC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1)OCC ZINC000270225618 443464336 /nfs/dbraw/zinc/46/43/36/443464336.db2.gz UMOUKWPWKITAGA-ZIAGYGMSSA-N 1 2 325.478 1.993 20 30 EDEDLO N#C[C@H](c1ccccc1)N1CC[NH+](CC2CCS(=O)(=O)CC2)CC1 ZINC000271337849 443501661 /nfs/dbraw/zinc/50/16/61/443501661.db2.gz WQJKRHQASFLIIA-GOSISDBHSA-N 1 2 347.484 1.694 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000271740703 443511985 /nfs/dbraw/zinc/51/19/85/443511985.db2.gz WGHSPOJIMXNTGG-KRWDZBQOSA-N 1 2 336.524 1.533 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000267701642 443546339 /nfs/dbraw/zinc/54/63/39/443546339.db2.gz ZYYLZDQLAPNIRS-UHFFFAOYSA-N 1 2 333.367 1.111 20 30 EDEDLO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C#N)([NH+](C)C)CC3)ccc2O1 ZINC000274740643 443610928 /nfs/dbraw/zinc/61/09/28/443610928.db2.gz SLMLXLNXVKPNTM-CYBMUJFWSA-N 1 2 349.456 1.618 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1)c1ccccc1 ZINC000274940121 443616481 /nfs/dbraw/zinc/61/64/81/443616481.db2.gz DXGWBUOVZQCSSF-UHFFFAOYSA-N 1 2 337.383 1.075 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCc2n[nH]c(=O)cc2C1)c1ccccc1 ZINC000274940121 443616482 /nfs/dbraw/zinc/61/64/82/443616482.db2.gz DXGWBUOVZQCSSF-UHFFFAOYSA-N 1 2 337.383 1.075 20 30 EDEDLO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000265376255 443620963 /nfs/dbraw/zinc/62/09/63/443620963.db2.gz JMOPCCNQVMBCSN-MRXNPFEDSA-N 1 2 347.415 1.027 20 30 EDEDLO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000265376255 443620965 /nfs/dbraw/zinc/62/09/65/443620965.db2.gz JMOPCCNQVMBCSN-MRXNPFEDSA-N 1 2 347.415 1.027 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000286344758 443695134 /nfs/dbraw/zinc/69/51/34/443695134.db2.gz BIVXLNHWYBWBIG-WMZOPIPTSA-N 1 2 329.444 1.641 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1cnccc1C#N ZINC000290922813 443712415 /nfs/dbraw/zinc/71/24/15/443712415.db2.gz IOQBSXBDFSABID-HOTGVXAUSA-N 1 2 328.395 1.736 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1cnccc1C#N ZINC000290922813 443712419 /nfs/dbraw/zinc/71/24/19/443712419.db2.gz IOQBSXBDFSABID-HOTGVXAUSA-N 1 2 328.395 1.736 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CN(c2c(C#N)nnc3ccccc32)CCN1C ZINC000280630770 443739100 /nfs/dbraw/zinc/73/91/00/443739100.db2.gz ZWJMMRKYOUIYFR-INIZCTEOSA-N 1 2 333.399 1.728 20 30 EDEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000284945081 443794319 /nfs/dbraw/zinc/79/43/19/443794319.db2.gz HJJDWOWBRWXNJP-UHFFFAOYSA-N 1 2 326.400 1.913 20 30 EDEDLO COCC[C@@H]1COCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000291299534 443755437 /nfs/dbraw/zinc/75/54/37/443755437.db2.gz RYCMAWUBRILURA-QZTJIDSGSA-N 1 2 343.427 1.791 20 30 EDEDLO COCC[C@@H]1COCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000291299534 443755439 /nfs/dbraw/zinc/75/54/39/443755439.db2.gz RYCMAWUBRILURA-QZTJIDSGSA-N 1 2 343.427 1.791 20 30 EDEDLO C#CCN(Cc1ccccc1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000287864944 443758357 /nfs/dbraw/zinc/75/83/57/443758357.db2.gz WVWNNYRTZUBECK-QGZVFWFLSA-N 1 2 328.460 1.467 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C#N)ccn3)CC2)n1 ZINC000287994849 443762981 /nfs/dbraw/zinc/76/29/81/443762981.db2.gz VJLXUHUSJWXASN-ZDUSSCGKSA-N 1 2 342.403 1.756 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cc(C#N)ccn3)CC2)n1 ZINC000287994849 443762985 /nfs/dbraw/zinc/76/29/85/443762985.db2.gz VJLXUHUSJWXASN-ZDUSSCGKSA-N 1 2 342.403 1.756 20 30 EDEDLO C=C(CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000288046722 443765817 /nfs/dbraw/zinc/76/58/17/443765817.db2.gz OVKVJVIQHMSDKA-UHFFFAOYSA-N 1 2 330.432 1.291 20 30 EDEDLO Cc1nc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)ccc1C#N ZINC000291842703 443769559 /nfs/dbraw/zinc/76/95/59/443769559.db2.gz GYLCDPOBRHKQLT-OAHLLOKOSA-N 1 2 327.432 1.395 20 30 EDEDLO Cc1cc(CON=C(N)C[NH+]2CCN(c3ccccc3)CC2)ncn1 ZINC000292103757 443776830 /nfs/dbraw/zinc/77/68/30/443776830.db2.gz PNIIKWPSSZKUGY-UHFFFAOYSA-N 1 2 340.431 1.396 20 30 EDEDLO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000284540363 443778800 /nfs/dbraw/zinc/77/88/00/443778800.db2.gz HEHPSPBOIRYMGH-LSDHHAIUSA-N 1 2 341.411 1.819 20 30 EDEDLO CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000284540363 443778803 /nfs/dbraw/zinc/77/88/03/443778803.db2.gz HEHPSPBOIRYMGH-LSDHHAIUSA-N 1 2 341.411 1.819 20 30 EDEDLO C[C@H](NC(=O)CO[NH+]=C(N)[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000284552485 443779212 /nfs/dbraw/zinc/77/92/12/443779212.db2.gz WAJFVNTUDWDRMT-GXFFZTMASA-N 1 2 325.796 1.985 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000285050077 443836231 /nfs/dbraw/zinc/83/62/31/443836231.db2.gz NZMIDTBKXYUIDO-UHFFFAOYSA-N 1 2 335.473 1.647 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000285050077 443836235 /nfs/dbraw/zinc/83/62/35/443836235.db2.gz NZMIDTBKXYUIDO-UHFFFAOYSA-N 1 2 335.473 1.647 20 30 EDEDLO C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000288324748 443844830 /nfs/dbraw/zinc/84/48/30/443844830.db2.gz LGOVUIBQULRMQL-ZIAGYGMSSA-N 1 2 337.445 1.087 20 30 EDEDLO CN(Cc1ccccc1)C(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000292865285 443864487 /nfs/dbraw/zinc/86/44/87/443864487.db2.gz RXTQEHPBZVLJQD-UHFFFAOYSA-N 1 2 330.432 1.786 20 30 EDEDLO CCO[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccccc1 ZINC000299145329 443966314 /nfs/dbraw/zinc/96/63/14/443966314.db2.gz YNAWSBNMAIGMRH-GOSISDBHSA-N 1 2 345.443 1.839 20 30 EDEDLO C[C@@H](C#N)C[N@H+](C)[C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000299151966 443968399 /nfs/dbraw/zinc/96/83/99/443968399.db2.gz GEHAAYMVQNEYKX-NWDGAFQWSA-N 1 2 346.387 1.586 20 30 EDEDLO C[C@@H](C#N)C[N@@H+](C)[C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000299151966 443968402 /nfs/dbraw/zinc/96/84/02/443968402.db2.gz GEHAAYMVQNEYKX-NWDGAFQWSA-N 1 2 346.387 1.586 20 30 EDEDLO C#CCOc1ccccc1C[N@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000285415212 443975733 /nfs/dbraw/zinc/97/57/33/443975733.db2.gz GZSUSIIYGGZIEN-INIZCTEOSA-N 1 2 326.400 1.879 20 30 EDEDLO C#CCOc1ccccc1C[N@@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000285415212 443975738 /nfs/dbraw/zinc/97/57/38/443975738.db2.gz GZSUSIIYGGZIEN-INIZCTEOSA-N 1 2 326.400 1.879 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000299209891 443983354 /nfs/dbraw/zinc/98/33/54/443983354.db2.gz VVSBDFLMTOCTDU-UHFFFAOYSA-N 1 2 340.427 1.237 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)Nc3cccc(C)c3)CC2)C1=O ZINC000281971010 444051698 /nfs/dbraw/zinc/05/16/98/444051698.db2.gz LCFBRBLFWKHJNB-QGZVFWFLSA-N 1 2 342.443 1.931 20 30 EDEDLO Cc1oc(NC(=O)C[NH2+][C@@H](c2nncn2C)C(C)C)c(C#N)c1C ZINC000285531453 444018765 /nfs/dbraw/zinc/01/87/65/444018765.db2.gz ZYZCRXCERXJATB-CQSZACIVSA-N 1 2 330.392 1.822 20 30 EDEDLO C=CCN1CC[C@H](N2CC[NH+](Cc3ccc(OCC)cc3)CC2)C1=O ZINC000282076623 444080587 /nfs/dbraw/zinc/08/05/87/444080587.db2.gz UAJVVNGEFRWSKF-IBGZPJMESA-N 1 2 343.471 1.990 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3ccc(OCC)cc3)CC2)C1=O ZINC000282076623 444080593 /nfs/dbraw/zinc/08/05/93/444080593.db2.gz UAJVVNGEFRWSKF-IBGZPJMESA-N 1 2 343.471 1.990 20 30 EDEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@@]4(CCS(=O)(=O)C4)C3)cnc12 ZINC000564455457 321132899 /nfs/dbraw/zinc/13/28/99/321132899.db2.gz YWVVZMPXVZSCDF-MRXNPFEDSA-N 1 2 345.428 1.002 20 30 EDEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@]4(CCS(=O)(=O)C4)C3)cnc12 ZINC000564455457 321132901 /nfs/dbraw/zinc/13/29/01/321132901.db2.gz YWVVZMPXVZSCDF-MRXNPFEDSA-N 1 2 345.428 1.002 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c(OC)c1 ZINC000282125290 444093291 /nfs/dbraw/zinc/09/32/91/444093291.db2.gz JSLHHQFLFWADBD-GOEBONIOSA-N 1 2 348.443 1.326 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c(OC)c1 ZINC000282125290 444093293 /nfs/dbraw/zinc/09/32/93/444093293.db2.gz JSLHHQFLFWADBD-GOEBONIOSA-N 1 2 348.443 1.326 20 30 EDEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](CCOCCC#N)C2 ZINC000294144372 444103667 /nfs/dbraw/zinc/10/36/67/444103667.db2.gz OMYYVOSJFNZIKI-UHFFFAOYSA-N 1 2 337.445 1.225 20 30 EDEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](CCOCCC#N)C2 ZINC000294144372 444103669 /nfs/dbraw/zinc/10/36/69/444103669.db2.gz OMYYVOSJFNZIKI-UHFFFAOYSA-N 1 2 337.445 1.225 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000571088312 321370361 /nfs/dbraw/zinc/37/03/61/321370361.db2.gz SMNVJYJKICRVCY-CQSZACIVSA-N 1 2 327.388 1.907 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000571088312 321370362 /nfs/dbraw/zinc/37/03/62/321370362.db2.gz SMNVJYJKICRVCY-CQSZACIVSA-N 1 2 327.388 1.907 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000301195961 444153993 /nfs/dbraw/zinc/15/39/93/444153993.db2.gz YZIHAEFQPWJGQF-UHFFFAOYSA-N 1 2 326.360 1.522 20 30 EDEDLO C=CCCCNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289861133 444212371 /nfs/dbraw/zinc/21/23/71/444212371.db2.gz VTCNWLGVZJEIPX-UHFFFAOYSA-N 1 2 340.427 1.285 20 30 EDEDLO CC(C)[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCS1 ZINC000290234478 444257086 /nfs/dbraw/zinc/25/70/86/444257086.db2.gz IWIFBSZZPGKCOA-CQSZACIVSA-N 1 2 339.486 1.800 20 30 EDEDLO CC(C)[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCS1 ZINC000290234478 444257088 /nfs/dbraw/zinc/25/70/88/444257088.db2.gz IWIFBSZZPGKCOA-CQSZACIVSA-N 1 2 339.486 1.800 20 30 EDEDLO CCCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000302838658 444226796 /nfs/dbraw/zinc/22/67/96/444226796.db2.gz SPHBUDZWTITHCO-ZBFHGGJFSA-N 1 2 341.477 1.084 20 30 EDEDLO CCCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000302838658 444226797 /nfs/dbraw/zinc/22/67/97/444226797.db2.gz SPHBUDZWTITHCO-ZBFHGGJFSA-N 1 2 341.477 1.084 20 30 EDEDLO CO[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000297081438 444272456 /nfs/dbraw/zinc/27/24/56/444272456.db2.gz ZHLIERZQVZYDMO-GOSISDBHSA-N 1 2 342.443 1.810 20 30 EDEDLO C#CCOc1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC000297098882 444274178 /nfs/dbraw/zinc/27/41/78/444274178.db2.gz ROZJLPJTPIRIPH-IBGZPJMESA-N 1 2 342.439 1.816 20 30 EDEDLO C#CCOc1ccc(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC000297098882 444274179 /nfs/dbraw/zinc/27/41/79/444274179.db2.gz ROZJLPJTPIRIPH-IBGZPJMESA-N 1 2 342.439 1.816 20 30 EDEDLO C=C[C@H](CO)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000290390585 444274848 /nfs/dbraw/zinc/27/48/48/444274848.db2.gz LLBONJYFBGHIFW-IIAWOOMASA-N 1 2 333.432 1.964 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F)C1CC1 ZINC000340198153 444369221 /nfs/dbraw/zinc/36/92/21/444369221.db2.gz HHEKGZIPUMEDJC-IACUBPJLSA-N 1 2 333.354 1.573 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F)C1CC1 ZINC000340198153 444369223 /nfs/dbraw/zinc/36/92/23/444369223.db2.gz HHEKGZIPUMEDJC-IACUBPJLSA-N 1 2 333.354 1.573 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000578724602 321819124 /nfs/dbraw/zinc/81/91/24/321819124.db2.gz SVJXLEZQBLKQEN-JQWIXIFHSA-N 1 2 332.385 1.748 20 30 EDEDLO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328859770 444377275 /nfs/dbraw/zinc/37/72/75/444377275.db2.gz DWFRDBVYUVHMGD-VUCTXSBTSA-N 1 2 349.479 1.287 20 30 EDEDLO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328859770 444377279 /nfs/dbraw/zinc/37/72/79/444377279.db2.gz DWFRDBVYUVHMGD-VUCTXSBTSA-N 1 2 349.479 1.287 20 30 EDEDLO C#C[C@@H](NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(C)C ZINC000298023247 444389939 /nfs/dbraw/zinc/38/99/39/444389939.db2.gz PYIRROJIAQKRNR-YESZJQIVSA-N 1 2 349.454 1.632 20 30 EDEDLO C#C[C@@H](NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(C)C ZINC000298023247 444389944 /nfs/dbraw/zinc/38/99/44/444389944.db2.gz PYIRROJIAQKRNR-YESZJQIVSA-N 1 2 349.454 1.632 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CSC2(C)C)C1 ZINC000328745118 444447189 /nfs/dbraw/zinc/44/71/89/444447189.db2.gz KTOZGQSYJZFZPU-OLZOCXBDSA-N 1 2 335.477 1.791 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)N[C@H]2CSC2(C)C)C1 ZINC000328745118 444447191 /nfs/dbraw/zinc/44/71/91/444447191.db2.gz KTOZGQSYJZFZPU-OLZOCXBDSA-N 1 2 335.477 1.791 20 30 EDEDLO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000328750419 444448809 /nfs/dbraw/zinc/44/88/09/444448809.db2.gz BYZROURTYSAFFZ-CQSZACIVSA-N 1 2 340.431 1.926 20 30 EDEDLO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000328750419 444448811 /nfs/dbraw/zinc/44/88/11/444448811.db2.gz BYZROURTYSAFFZ-CQSZACIVSA-N 1 2 340.431 1.926 20 30 EDEDLO CC(C)c1ccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(O)c1 ZINC000331246336 444456669 /nfs/dbraw/zinc/45/66/69/444456669.db2.gz UYPYCZISYHOJCQ-SFHVURJKSA-N 1 2 336.432 1.903 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000329070621 444464675 /nfs/dbraw/zinc/46/46/75/444464675.db2.gz NLFRDZYEJOSJPZ-CABCVRRESA-N 1 2 341.477 1.195 20 30 EDEDLO CS(=O)(=O)C1(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCOCC1 ZINC000328994863 444437431 /nfs/dbraw/zinc/43/74/31/444437431.db2.gz JKPAXJHTMZMOKV-CQSZACIVSA-N 1 2 344.477 1.554 20 30 EDEDLO CS(=O)(=O)C1(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCOCC1 ZINC000328994863 444437435 /nfs/dbraw/zinc/43/74/35/444437435.db2.gz JKPAXJHTMZMOKV-CQSZACIVSA-N 1 2 344.477 1.554 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000329233525 444507952 /nfs/dbraw/zinc/50/79/52/444507952.db2.gz MAAJZLFDNFKOQB-JJTUDDRGSA-N 1 2 337.464 1.653 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC(=O)N(C2CC2)C1)C1CCOCC1 ZINC000329235875 444508793 /nfs/dbraw/zinc/50/87/93/444508793.db2.gz NXDUHLNQYNMSTR-HNNXBMFYSA-N 1 2 347.419 1.066 20 30 EDEDLO O=C(N[C@@H]1CN(c2ccc(F)cc2)C1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329324401 444535406 /nfs/dbraw/zinc/53/54/06/444535406.db2.gz HZXINDMIWQWZHE-IAQYHMDHSA-N 1 2 328.347 1.957 20 30 EDEDLO O=C(NCC[NH+]1CCSCC1)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000329286216 444520827 /nfs/dbraw/zinc/52/08/27/444520827.db2.gz OQVGOZPGLMAQEB-GFCCVEGCSA-N 1 2 332.491 1.207 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC(=O)N(C)C2)C[C@H](C)O1 ZINC000329285008 444521166 /nfs/dbraw/zinc/52/11/66/444521166.db2.gz OCJXPSAWOORTNX-OKILXGFUSA-N 1 2 346.431 1.573 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC(=O)N(C)C2)C[C@H](C)O1 ZINC000329285008 444521168 /nfs/dbraw/zinc/52/11/68/444521168.db2.gz OCJXPSAWOORTNX-OKILXGFUSA-N 1 2 346.431 1.573 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000329295968 444524449 /nfs/dbraw/zinc/52/44/49/444524449.db2.gz OQMQXZWOOMKAAA-ZBFHGGJFSA-N 1 2 337.464 1.845 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000329421775 444573071 /nfs/dbraw/zinc/57/30/71/444573071.db2.gz FLNNPSPWXTYSNH-ZBFHGGJFSA-N 1 2 325.453 1.512 20 30 EDEDLO C[C@@H](CNC(=O)c1cc2nc[nH]c2cc1F)CN1CC[NH+](C)CC1 ZINC000329368804 444552516 /nfs/dbraw/zinc/55/25/16/444552516.db2.gz JHAPDENSDCWDIL-LBPRGKRZSA-N 1 2 333.411 1.890 20 30 EDEDLO O=C(NCCc1nnc2n1CCC2)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329453800 444586407 /nfs/dbraw/zinc/58/64/07/444586407.db2.gz NSPPOAPYGLVZFB-CQSZACIVSA-N 1 2 333.436 1.367 20 30 EDEDLO O=C(NCCc1nnc2n1CCC2)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329453800 444586411 /nfs/dbraw/zinc/58/64/11/444586411.db2.gz NSPPOAPYGLVZFB-CQSZACIVSA-N 1 2 333.436 1.367 20 30 EDEDLO CNC(=O)N[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000342355634 444651123 /nfs/dbraw/zinc/65/11/23/444651123.db2.gz PCEQAFIESZTPPW-ZDUSSCGKSA-N 1 2 326.360 1.112 20 30 EDEDLO CNC(=O)N[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000342355634 444651127 /nfs/dbraw/zinc/65/11/27/444651127.db2.gz PCEQAFIESZTPPW-ZDUSSCGKSA-N 1 2 326.360 1.112 20 30 EDEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000342369616 444660298 /nfs/dbraw/zinc/66/02/98/444660298.db2.gz PQZPAJCJHKXIRX-UHFFFAOYSA-N 1 2 328.303 1.356 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)c(C#N)c1C ZINC000342368936 444660441 /nfs/dbraw/zinc/66/04/41/444660441.db2.gz JKUTZSSVPXDKLR-KRWDZBQOSA-N 1 2 346.456 1.777 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)c(C#N)c1C ZINC000342368936 444660445 /nfs/dbraw/zinc/66/04/45/444660445.db2.gz JKUTZSSVPXDKLR-KRWDZBQOSA-N 1 2 346.456 1.777 20 30 EDEDLO [O-]C(NC1CCN(c2cccnn2)CC1)=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329644235 444662751 /nfs/dbraw/zinc/66/27/51/444662751.db2.gz DFWMUOAQKCBKQQ-ZDUSSCGKSA-N 1 2 341.419 1.230 20 30 EDEDLO Cn1ncc2c1CCC[C@H]2NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329649597 444665129 /nfs/dbraw/zinc/66/51/29/444665129.db2.gz FJRUZVXNSQXKDA-GOEBONIOSA-N 1 2 347.463 1.508 20 30 EDEDLO CN(C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C1CCC1 ZINC000329818083 444728127 /nfs/dbraw/zinc/72/81/27/444728127.db2.gz GCJQLSPRVMHUNG-UHFFFAOYSA-N 1 2 331.420 1.499 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCOCC2(CCOCC2)C1 ZINC000329721003 444692101 /nfs/dbraw/zinc/69/21/01/444692101.db2.gz DTIMWDUGKJVQQQ-ZDUSSCGKSA-N 1 2 334.420 1.310 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCOCC2(CCOCC2)C1 ZINC000329721003 444692105 /nfs/dbraw/zinc/69/21/05/444692105.db2.gz DTIMWDUGKJVQQQ-ZDUSSCGKSA-N 1 2 334.420 1.310 20 30 EDEDLO CC(C)(CNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1)[NH+]1CCOCC1 ZINC000329848833 444739291 /nfs/dbraw/zinc/73/92/91/444739291.db2.gz ZCEYZOAEQBXZBD-QGZVFWFLSA-N 1 2 338.452 1.454 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000341302839 444769908 /nfs/dbraw/zinc/76/99/08/444769908.db2.gz NIFTWGNXJIOFBS-UHFFFAOYSA-N 1 2 331.445 1.424 20 30 EDEDLO COc1ccc2[nH]c(=NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)sc2c1 ZINC000329937052 444777409 /nfs/dbraw/zinc/77/74/09/444777409.db2.gz RVUZGSHLUNUMGF-OLZOCXBDSA-N 1 2 348.428 1.865 20 30 EDEDLO COc1ccc2[nH]c(=NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)sc2c1 ZINC000329937052 444777412 /nfs/dbraw/zinc/77/74/12/444777412.db2.gz RVUZGSHLUNUMGF-OLZOCXBDSA-N 1 2 348.428 1.865 20 30 EDEDLO Cc1ccn2cc(CNC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)nc2c1 ZINC000329990349 444801751 /nfs/dbraw/zinc/80/17/51/444801751.db2.gz WCVGKJHEKGMUET-CABCVRRESA-N 1 2 329.404 1.072 20 30 EDEDLO Cc1ccn2cc(CNC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)nc2c1 ZINC000329990349 444801754 /nfs/dbraw/zinc/80/17/54/444801754.db2.gz WCVGKJHEKGMUET-CABCVRRESA-N 1 2 329.404 1.072 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cc3ccccc3n2)CC1 ZINC000330053729 444826706 /nfs/dbraw/zinc/82/67/06/444826706.db2.gz QWKCTAUIIHXBQB-UHFFFAOYSA-N 1 2 343.431 1.547 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2cc3ccccc3n2)CC1 ZINC000330053729 444826709 /nfs/dbraw/zinc/82/67/09/444826709.db2.gz QWKCTAUIIHXBQB-UHFFFAOYSA-N 1 2 343.431 1.547 20 30 EDEDLO COc1ccc(C)cc1NC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000330358132 444950649 /nfs/dbraw/zinc/95/06/49/444950649.db2.gz UKVVDAQBKWYHIV-LXZKKBNFSA-N 1 2 333.432 1.995 20 30 EDEDLO COc1ccc(C)cc1NC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000330358132 444950652 /nfs/dbraw/zinc/95/06/52/444950652.db2.gz UKVVDAQBKWYHIV-LXZKKBNFSA-N 1 2 333.432 1.995 20 30 EDEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330358132 444950656 /nfs/dbraw/zinc/95/06/56/444950656.db2.gz UKVVDAQBKWYHIV-LXZKKBNFSA-N 1 2 333.432 1.995 20 30 EDEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000330358132 444950659 /nfs/dbraw/zinc/95/06/59/444950659.db2.gz UKVVDAQBKWYHIV-LXZKKBNFSA-N 1 2 333.432 1.995 20 30 EDEDLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC(F)(F)F)ccn2)CC1 ZINC000330546034 445028482 /nfs/dbraw/zinc/02/84/82/445028482.db2.gz CANCFVQELDDGAO-UHFFFAOYSA-N 1 2 345.325 1.357 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337203343 444984271 /nfs/dbraw/zinc/98/42/71/444984271.db2.gz GGPTXJKQJJNENO-NSHDSACASA-N 1 2 329.759 1.114 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1F)C1CC1 ZINC000337221036 444992061 /nfs/dbraw/zinc/99/20/61/444992061.db2.gz DOHYTGDRTMTIKT-BBRMVZONSA-N 1 2 339.798 1.911 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(CC)s2)C1=O ZINC000337231764 444996120 /nfs/dbraw/zinc/99/61/20/444996120.db2.gz UVVGDMPRNRNOEU-OAHLLOKOSA-N 1 2 335.473 1.645 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(CC)s2)C1=O ZINC000337231764 444996123 /nfs/dbraw/zinc/99/61/23/444996123.db2.gz UVVGDMPRNRNOEU-OAHLLOKOSA-N 1 2 335.473 1.645 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337276811 445012516 /nfs/dbraw/zinc/01/25/16/445012516.db2.gz REWUXOIKWHWBOZ-CABZTGNLSA-N 1 2 343.786 1.502 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)C1=O ZINC000337279927 445013286 /nfs/dbraw/zinc/01/32/86/445013286.db2.gz UVXYRIQHNFVAQV-NVXWUHKLSA-N 1 2 329.444 1.925 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)C1=O ZINC000337279927 445013288 /nfs/dbraw/zinc/01/32/88/445013288.db2.gz UVXYRIQHNFVAQV-NVXWUHKLSA-N 1 2 329.444 1.925 20 30 EDEDLO COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000337391938 445061198 /nfs/dbraw/zinc/06/11/98/445061198.db2.gz HRRBTLBNFQRCFK-AYBZRNKSSA-N 1 2 343.427 1.611 20 30 EDEDLO COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000337391938 445061200 /nfs/dbraw/zinc/06/12/00/445061200.db2.gz HRRBTLBNFQRCFK-AYBZRNKSSA-N 1 2 343.427 1.611 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nncn2C)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000344563108 445061389 /nfs/dbraw/zinc/06/13/89/445061389.db2.gz FYUFOXRZEGSAAM-CVEARBPZSA-N 1 2 327.388 1.528 20 30 EDEDLO CO[C@@H]1C[C@@H](c2nncn2C)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000344563108 445061391 /nfs/dbraw/zinc/06/13/91/445061391.db2.gz FYUFOXRZEGSAAM-CVEARBPZSA-N 1 2 327.388 1.528 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000339156394 445061859 /nfs/dbraw/zinc/06/18/59/445061859.db2.gz FTUZIRFTLUVBCV-LSDHHAIUSA-N 1 2 330.494 1.556 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000339156394 445061863 /nfs/dbraw/zinc/06/18/63/445061863.db2.gz FTUZIRFTLUVBCV-LSDHHAIUSA-N 1 2 330.494 1.556 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000330650483 445079676 /nfs/dbraw/zinc/07/96/76/445079676.db2.gz PGLGDXJWZWZNPM-GJZGRUSLSA-N 1 2 331.416 1.439 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000341988146 445109548 /nfs/dbraw/zinc/10/95/48/445109548.db2.gz JNXGSVVMJHQMOQ-UHFFFAOYSA-N 1 2 347.415 1.894 20 30 EDEDLO COCc1ccccc1CNC(=O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341997551 445114614 /nfs/dbraw/zinc/11/46/14/445114614.db2.gz TUHNKPMRJHMJRR-UHFFFAOYSA-N 1 2 345.443 1.701 20 30 EDEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000339761641 445167587 /nfs/dbraw/zinc/16/75/87/445167587.db2.gz STQBTALTQZZRAD-LBPRGKRZSA-N 1 2 346.383 1.542 20 30 EDEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000339761641 445167590 /nfs/dbraw/zinc/16/75/90/445167590.db2.gz STQBTALTQZZRAD-LBPRGKRZSA-N 1 2 346.383 1.542 20 30 EDEDLO CC(C)(O)CC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000330896697 445185931 /nfs/dbraw/zinc/18/59/31/445185931.db2.gz NNCFBXZRIJWYAK-UHFFFAOYSA-N 1 2 337.445 1.026 20 30 EDEDLO COc1ccccc1[C@H]1CN(C(=O)Cc2noc(C)c2C#N)CC[NH2+]1 ZINC000337597766 445158392 /nfs/dbraw/zinc/15/83/92/445158392.db2.gz PXYMROBKNDRYFZ-MRXNPFEDSA-N 1 2 340.383 1.579 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1sccc1C#N ZINC000348341000 445261549 /nfs/dbraw/zinc/26/15/49/445261549.db2.gz COUGGARLPQHBSE-ZWNOBZJWSA-N 1 2 329.385 1.103 20 30 EDEDLO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C#N)CC3)C2=O)c(OC)c1 ZINC000352282793 445517975 /nfs/dbraw/zinc/51/79/75/445517975.db2.gz ZZOKVWIIVRIRQJ-HNNXBMFYSA-N 1 2 343.383 1.571 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2=O)C(N)=O)cc1 ZINC000360070149 445553834 /nfs/dbraw/zinc/55/38/34/445553834.db2.gz SKYUTOOQRWXCQM-ROUUACIJSA-N 1 2 348.406 1.870 20 30 EDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000352881375 445561948 /nfs/dbraw/zinc/56/19/48/445561948.db2.gz ZEPIZKBNQYXGOW-LBPRGKRZSA-N 1 2 335.404 1.527 20 30 EDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000352881375 445561951 /nfs/dbraw/zinc/56/19/51/445561951.db2.gz ZEPIZKBNQYXGOW-LBPRGKRZSA-N 1 2 335.404 1.527 20 30 EDEDLO Cc1nc(N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)cc[nH+]1 ZINC000352980760 445568684 /nfs/dbraw/zinc/56/86/84/445568684.db2.gz JJASQLXRYNUPCB-UHFFFAOYSA-N 1 2 349.460 1.321 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+](CCO)Cc3cccnc3)o2)c1 ZINC000357310833 445542064 /nfs/dbraw/zinc/54/20/64/445542064.db2.gz WGODBYPLNSLLBV-UHFFFAOYSA-N 1 2 335.367 1.998 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+](CCO)Cc3cccnc3)o2)c1 ZINC000357310833 445542069 /nfs/dbraw/zinc/54/20/69/445542069.db2.gz WGODBYPLNSLLBV-UHFFFAOYSA-N 1 2 335.367 1.998 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H]3C#N)c[nH+]2)CCO1 ZINC000360051063 445546163 /nfs/dbraw/zinc/54/61/63/445546163.db2.gz MKTPRKXAKCUTNZ-FVQBIDKESA-N 1 2 343.431 1.798 20 30 EDEDLO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+](C)C[C@H](C)C#N ZINC000353457965 445610966 /nfs/dbraw/zinc/61/09/66/445610966.db2.gz AVZZVQYDTHAZIY-ZIAGYGMSSA-N 1 2 331.416 1.596 20 30 EDEDLO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+](C)C[C@H](C)C#N ZINC000353457965 445610968 /nfs/dbraw/zinc/61/09/68/445610968.db2.gz AVZZVQYDTHAZIY-ZIAGYGMSSA-N 1 2 331.416 1.596 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000356055554 445593852 /nfs/dbraw/zinc/59/38/52/445593852.db2.gz PTPXNWUDSADVOM-VBQJREDUSA-N 1 2 339.411 1.681 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000356055554 445593855 /nfs/dbraw/zinc/59/38/55/445593855.db2.gz PTPXNWUDSADVOM-VBQJREDUSA-N 1 2 339.411 1.681 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000349728040 445657747 /nfs/dbraw/zinc/65/77/47/445657747.db2.gz BUHUKTCXLQHIPY-UHFFFAOYSA-N 1 2 333.432 1.124 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000349728040 445657752 /nfs/dbraw/zinc/65/77/52/445657752.db2.gz BUHUKTCXLQHIPY-UHFFFAOYSA-N 1 2 333.432 1.124 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000349989026 445742972 /nfs/dbraw/zinc/74/29/72/445742972.db2.gz ARKBCJLWMFKSSS-OAHLLOKOSA-N 1 2 333.432 1.771 20 30 EDEDLO C=CCOc1ccccc1CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000349989026 445742976 /nfs/dbraw/zinc/74/29/76/445742976.db2.gz ARKBCJLWMFKSSS-OAHLLOKOSA-N 1 2 333.432 1.771 20 30 EDEDLO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000350461628 445833142 /nfs/dbraw/zinc/83/31/42/445833142.db2.gz NUCRMDFUMNGGON-HOCLYGCPSA-N 1 2 349.456 1.489 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363654443 445863565 /nfs/dbraw/zinc/86/35/65/445863565.db2.gz HALUKKOBZGEPHT-SFHVURJKSA-N 1 2 345.447 1.217 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000363654443 445863567 /nfs/dbraw/zinc/86/35/67/445863567.db2.gz HALUKKOBZGEPHT-SFHVURJKSA-N 1 2 345.447 1.217 20 30 EDEDLO N#Cc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)ccc1F ZINC000354099693 445902283 /nfs/dbraw/zinc/90/22/83/445902283.db2.gz HBUFLYCURMSTLD-INIZCTEOSA-N 1 2 347.390 1.261 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369066357 445907045 /nfs/dbraw/zinc/90/70/45/445907045.db2.gz RBYNJUXXDYGSLG-CJNGLKHVSA-N 1 2 340.427 1.876 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369066357 445907051 /nfs/dbraw/zinc/90/70/51/445907051.db2.gz RBYNJUXXDYGSLG-CJNGLKHVSA-N 1 2 340.427 1.876 20 30 EDEDLO Cc1n[nH]c(C2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)n1 ZINC000365997434 445952004 /nfs/dbraw/zinc/95/20/04/445952004.db2.gz WKKAPGYCRNTQIG-UHFFFAOYSA-N 1 2 338.415 1.481 20 30 EDEDLO Cc1nc(C2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000365997434 445952007 /nfs/dbraw/zinc/95/20/07/445952007.db2.gz WKKAPGYCRNTQIG-UHFFFAOYSA-N 1 2 338.415 1.481 20 30 EDEDLO Cc1nnc(C2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)[nH]1 ZINC000365997434 445952010 /nfs/dbraw/zinc/95/20/10/445952010.db2.gz WKKAPGYCRNTQIG-UHFFFAOYSA-N 1 2 338.415 1.481 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)s1 ZINC000369178459 445972505 /nfs/dbraw/zinc/97/25/05/445972505.db2.gz KKEYFYCRTPYDBB-VXGBXAGGSA-N 1 2 341.458 1.151 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)s1 ZINC000369178459 445972509 /nfs/dbraw/zinc/97/25/09/445972509.db2.gz KKEYFYCRTPYDBB-VXGBXAGGSA-N 1 2 341.458 1.151 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000369275472 446041653 /nfs/dbraw/zinc/04/16/53/446041653.db2.gz XVJWEHZOXWIWQO-QGZVFWFLSA-N 1 2 340.427 1.974 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000369275472 446041658 /nfs/dbraw/zinc/04/16/58/446041658.db2.gz XVJWEHZOXWIWQO-QGZVFWFLSA-N 1 2 340.427 1.974 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000584002866 326181971 /nfs/dbraw/zinc/18/19/71/326181971.db2.gz NQWNRJJNLQQCNO-QZTJIDSGSA-N 1 2 343.427 1.569 20 30 EDEDLO C=CCCS(=O)(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000366301673 446137850 /nfs/dbraw/zinc/13/78/50/446137850.db2.gz YYJXNKRGRUSGDA-UHFFFAOYSA-N 1 2 340.493 1.878 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000366244403 446103401 /nfs/dbraw/zinc/10/34/01/446103401.db2.gz GURVOSAIBCYSQK-DIODGJHASA-N 1 2 348.447 1.442 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000366244403 446103407 /nfs/dbraw/zinc/10/34/07/446103407.db2.gz GURVOSAIBCYSQK-DIODGJHASA-N 1 2 348.447 1.442 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2OC)C[C@H]1C ZINC000361962932 446110880 /nfs/dbraw/zinc/11/08/80/446110880.db2.gz RIORWZPGCPHSCV-OLZOCXBDSA-N 1 2 337.445 1.670 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)cc2OC)C[C@H]1C ZINC000361962932 446110885 /nfs/dbraw/zinc/11/08/85/446110885.db2.gz RIORWZPGCPHSCV-OLZOCXBDSA-N 1 2 337.445 1.670 20 30 EDEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN3C(=O)N(C)C(=O)[C@@H]3C2)cc1 ZINC000369415582 446119069 /nfs/dbraw/zinc/11/90/69/446119069.db2.gz AMCNFTOACSMGRQ-DOMZBBRYSA-N 1 2 328.372 1.056 20 30 EDEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN3C(=O)N(C)C(=O)[C@@H]3C2)cc1 ZINC000369415582 446119072 /nfs/dbraw/zinc/11/90/72/446119072.db2.gz AMCNFTOACSMGRQ-DOMZBBRYSA-N 1 2 328.372 1.056 20 30 EDEDLO Cc1cc(N2CCC(NC(=O)c3ccc(C#N)c(C)n3)CC2)nc[nH+]1 ZINC000370268076 446205107 /nfs/dbraw/zinc/20/51/07/446205107.db2.gz HXAYAFMIQKTGJV-UHFFFAOYSA-N 1 2 336.399 1.759 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000370298766 446221014 /nfs/dbraw/zinc/22/10/14/446221014.db2.gz QIWNHZSUPQZUPI-ZDUSSCGKSA-N 1 2 348.432 1.083 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000365651420 446288881 /nfs/dbraw/zinc/28/88/81/446288881.db2.gz DNFWVJPQOLAHTO-RHSMWYFYSA-N 1 2 325.416 1.501 20 30 EDEDLO Cc1cc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)cc[nH+]1 ZINC000373699707 446306117 /nfs/dbraw/zinc/30/61/17/446306117.db2.gz YRLJDHRPOSWFFP-KRWDZBQOSA-N 1 2 334.379 1.813 20 30 EDEDLO CCc1nc(C[NH+]2C[C@@H]3CN(c4nc(C)ccc4C#N)C[C@H]3C2)no1 ZINC000376107032 446338594 /nfs/dbraw/zinc/33/85/94/446338594.db2.gz OQAAYIZNLNUPNG-HUUCEWRRSA-N 1 2 338.415 1.775 20 30 EDEDLO COc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000374355426 446364798 /nfs/dbraw/zinc/36/47/98/446364798.db2.gz XYCLACQEPYJEKL-LIRRHRJNSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cn1 ZINC000374355426 446364802 /nfs/dbraw/zinc/36/48/02/446364802.db2.gz XYCLACQEPYJEKL-LIRRHRJNSA-N 1 2 334.379 1.936 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000366837649 446375794 /nfs/dbraw/zinc/37/57/94/446375794.db2.gz AGWKTOZHJWSYIA-IUODEOHRSA-N 1 2 336.413 1.073 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000366837649 446375798 /nfs/dbraw/zinc/37/57/98/446375798.db2.gz AGWKTOZHJWSYIA-IUODEOHRSA-N 1 2 336.413 1.073 20 30 EDEDLO C=CCC(C)(C)CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000432562226 446484750 /nfs/dbraw/zinc/48/47/50/446484750.db2.gz JCJHGNSKFMAQBD-UHFFFAOYSA-N 1 2 336.480 1.538 20 30 EDEDLO CC(C)OC[C@H](CO)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000433146678 446537115 /nfs/dbraw/zinc/53/71/15/446537115.db2.gz ASWPBSPOWNOFQL-AWEZNQCLSA-N 1 2 339.823 1.868 20 30 EDEDLO CC(C)OC[C@H](CO)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000433146678 446537122 /nfs/dbraw/zinc/53/71/22/446537122.db2.gz ASWPBSPOWNOFQL-AWEZNQCLSA-N 1 2 339.823 1.868 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000420436591 446611837 /nfs/dbraw/zinc/61/18/37/446611837.db2.gz BCTQGGCXCDIISC-NSHDSACASA-N 1 2 345.371 1.090 20 30 EDEDLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453702587 446608459 /nfs/dbraw/zinc/60/84/59/446608459.db2.gz FFNQGYLECCLQNJ-LLVKDONJSA-N 1 2 334.807 1.507 20 30 EDEDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000453702587 446608468 /nfs/dbraw/zinc/60/84/68/446608468.db2.gz FFNQGYLECCLQNJ-LLVKDONJSA-N 1 2 334.807 1.507 20 30 EDEDLO C=CCOc1cccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000435125725 446679872 /nfs/dbraw/zinc/67/98/72/446679872.db2.gz GTPZLADTKQAZGA-INIZCTEOSA-N 1 2 349.431 1.408 20 30 EDEDLO C=C(CC)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000454031101 446749846 /nfs/dbraw/zinc/74/98/46/446749846.db2.gz MOZPOFRWVNLIPW-UHFFFAOYSA-N 1 2 332.404 1.248 20 30 EDEDLO C=CCN(CC(=O)OCC)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375464955 446818656 /nfs/dbraw/zinc/81/86/56/446818656.db2.gz LLPUNXNGGURRBQ-HUUCEWRRSA-N 1 2 331.416 1.732 20 30 EDEDLO C[C@H](O)[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC000412097718 446857588 /nfs/dbraw/zinc/85/75/88/446857588.db2.gz UABLUZZJYSVPIK-SMDDNHRTSA-N 1 2 349.456 1.519 20 30 EDEDLO C[C@H](O)[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC000412097718 446857591 /nfs/dbraw/zinc/85/75/91/446857591.db2.gz UABLUZZJYSVPIK-SMDDNHRTSA-N 1 2 349.456 1.519 20 30 EDEDLO Cc1cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1C#N ZINC000375519514 446868259 /nfs/dbraw/zinc/86/82/59/446868259.db2.gz AJTRGRHLSQIXNC-SJORKVTESA-N 1 2 349.456 1.086 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)NCc1ccc(C#N)c(F)c1)[NH+]1CCOCC1 ZINC000454543636 446908142 /nfs/dbraw/zinc/90/81/42/446908142.db2.gz MBKAQMGSJDQREA-QWHCGFSZSA-N 1 2 334.395 1.606 20 30 EDEDLO CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000442574962 446909193 /nfs/dbraw/zinc/90/91/93/446909193.db2.gz HVXCVJBCESCPTF-QGZVFWFLSA-N 1 2 332.404 1.422 20 30 EDEDLO CC[N@H+](Cc1nnc(C)o1)[C@H]1CN(c2snc(C)c2C#N)C[C@H]1O ZINC000377141038 446946471 /nfs/dbraw/zinc/94/64/71/446946471.db2.gz VONWBEXPUNPIGI-QWHCGFSZSA-N 1 2 348.432 1.086 20 30 EDEDLO CC[N@@H+](Cc1nnc(C)o1)[C@H]1CN(c2snc(C)c2C#N)C[C@H]1O ZINC000377141038 446946475 /nfs/dbraw/zinc/94/64/75/446946475.db2.gz VONWBEXPUNPIGI-QWHCGFSZSA-N 1 2 348.432 1.086 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3scc(C)c32)CC1 ZINC000413041367 446989059 /nfs/dbraw/zinc/98/90/59/446989059.db2.gz XLPDZCNVOBPXJB-UHFFFAOYSA-N 1 2 331.445 1.424 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000368746362 447081492 /nfs/dbraw/zinc/08/14/92/447081492.db2.gz OPEWYMLIKYGQHY-KRWDZBQOSA-N 1 2 348.451 1.369 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)C1CC1 ZINC000444735315 447132547 /nfs/dbraw/zinc/13/25/47/447132547.db2.gz OYABEELSBAFDHM-ZLKJLUDKSA-N 1 2 333.354 1.430 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)C1CC1 ZINC000444735315 447132556 /nfs/dbraw/zinc/13/25/56/447132556.db2.gz OYABEELSBAFDHM-ZLKJLUDKSA-N 1 2 333.354 1.430 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000369030365 447276633 /nfs/dbraw/zinc/27/66/33/447276633.db2.gz WCAHDDXWPIVRFS-JZXOWHBKSA-N 1 2 341.411 1.448 20 30 EDEDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000369030365 447276636 /nfs/dbraw/zinc/27/66/36/447276636.db2.gz WCAHDDXWPIVRFS-JZXOWHBKSA-N 1 2 341.411 1.448 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000422308299 447462210 /nfs/dbraw/zinc/46/22/10/447462210.db2.gz PXIYBYQOVKYCAA-HNNXBMFYSA-N 1 2 326.400 1.340 20 30 EDEDLO C=CCC[C@@H]1NC(=O)N([C@H](C[NH+]2CCOCC2)c2ccccc2)C1=O ZINC000419922270 447491951 /nfs/dbraw/zinc/49/19/51/447491951.db2.gz JOMMIDSTWOJOMY-DLBZAZTESA-N 1 2 343.427 1.947 20 30 EDEDLO C[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CCN(CC#N)CC3)c2C1 ZINC000416167946 447533836 /nfs/dbraw/zinc/53/38/36/447533836.db2.gz VNYSESQHGHCWDD-UHFFFAOYSA-N 1 2 349.438 1.504 20 30 EDEDLO C[N@H+]1CCc2nc3ccccc3c(C(=O)N3CCN(CC#N)CC3)c2C1 ZINC000416167946 447533843 /nfs/dbraw/zinc/53/38/43/447533843.db2.gz VNYSESQHGHCWDD-UHFFFAOYSA-N 1 2 349.438 1.504 20 30 EDEDLO C=CCC1(C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CCCCC1 ZINC000450911342 447614469 /nfs/dbraw/zinc/61/44/69/447614469.db2.gz KPLBWPYAMGFCJY-HNNXBMFYSA-N 1 2 337.464 1.158 20 30 EDEDLO C=CCC1(C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CCCCC1 ZINC000450911342 447614476 /nfs/dbraw/zinc/61/44/76/447614476.db2.gz KPLBWPYAMGFCJY-HNNXBMFYSA-N 1 2 337.464 1.158 20 30 EDEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000408084880 447627327 /nfs/dbraw/zinc/62/73/27/447627327.db2.gz UPPNSQDXBZCPJB-QWRGUYRKSA-N 1 2 338.389 1.180 20 30 EDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000408084880 447627329 /nfs/dbraw/zinc/62/73/29/447627329.db2.gz UPPNSQDXBZCPJB-QWRGUYRKSA-N 1 2 338.389 1.180 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)NCCc1cn(C)c[nH+]1 ZINC000457863776 447652956 /nfs/dbraw/zinc/65/29/56/447652956.db2.gz SYBHMIBAZGSVLJ-UHFFFAOYSA-N 1 2 342.399 1.818 20 30 EDEDLO CCCCN(C(=O)C[NH2+][C@@H]1CCC[C@H]1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000459468028 447676422 /nfs/dbraw/zinc/67/64/22/447676422.db2.gz QLYJSMDNQNBUEN-RRFJBIMHSA-N 1 2 341.477 1.084 20 30 EDEDLO CC(C)[C@H](CNS(=O)(=O)CC(C)(C)CC#N)[NH+]1CCN(C)CC1 ZINC000451244485 447711875 /nfs/dbraw/zinc/71/18/75/447711875.db2.gz NHDFESWYRHNPCC-HNNXBMFYSA-N 1 2 344.525 1.118 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451262913 447718777 /nfs/dbraw/zinc/71/87/77/447718777.db2.gz LLEKRYJDQJHPKG-JCKWVBRZSA-N 1 2 349.406 1.187 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451262913 447718779 /nfs/dbraw/zinc/71/87/79/447718779.db2.gz LLEKRYJDQJHPKG-JCKWVBRZSA-N 1 2 349.406 1.187 20 30 EDEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H]1O ZINC000451748301 447750393 /nfs/dbraw/zinc/75/03/93/447750393.db2.gz IYCYCFXSMOVDOC-DAXOMENPSA-N 1 2 335.379 1.152 20 30 EDEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H]1O ZINC000451748301 447750397 /nfs/dbraw/zinc/75/03/97/447750397.db2.gz IYCYCFXSMOVDOC-DAXOMENPSA-N 1 2 335.379 1.152 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1C#N ZINC000471815714 447814544 /nfs/dbraw/zinc/81/45/44/447814544.db2.gz KNVKHBCAEXHJRB-UHFFFAOYSA-N 1 2 340.387 1.831 20 30 EDEDLO CO[C@@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000451869382 447769208 /nfs/dbraw/zinc/76/92/08/447769208.db2.gz RDLYEWZVEVFUPU-HUUCEWRRSA-N 1 2 349.456 1.616 20 30 EDEDLO CO[C@@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000451869382 447769209 /nfs/dbraw/zinc/76/92/09/447769209.db2.gz RDLYEWZVEVFUPU-HUUCEWRRSA-N 1 2 349.456 1.616 20 30 EDEDLO CO[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000451869377 447769233 /nfs/dbraw/zinc/76/92/33/447769233.db2.gz RDLYEWZVEVFUPU-CABCVRRESA-N 1 2 349.456 1.616 20 30 EDEDLO CO[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C12CCC2 ZINC000451869377 447769234 /nfs/dbraw/zinc/76/92/34/447769234.db2.gz RDLYEWZVEVFUPU-CABCVRRESA-N 1 2 349.456 1.616 20 30 EDEDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)nc1 ZINC000452060156 447809072 /nfs/dbraw/zinc/80/90/72/447809072.db2.gz QIXAHSAFCJLGNV-AWEZNQCLSA-N 1 2 343.431 1.163 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496653375 447841507 /nfs/dbraw/zinc/84/15/07/447841507.db2.gz CASAHYWWPXNVKK-KBPBESRZSA-N 1 2 349.435 1.975 20 30 EDEDLO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000570137213 447949889 /nfs/dbraw/zinc/94/98/89/447949889.db2.gz IONLMZNFZUSAMY-CQSZACIVSA-N 1 2 347.382 1.845 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000491209203 447958274 /nfs/dbraw/zinc/95/82/74/447958274.db2.gz CWVMMNRECGKQOC-UHFFFAOYSA-N 1 2 338.411 1.209 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CCCC)n2C[C@H]2CCOC2)CC1 ZINC000491118249 447927731 /nfs/dbraw/zinc/92/77/31/447927731.db2.gz BMUUZYONLWGINF-MRXNPFEDSA-N 1 2 331.464 1.412 20 30 EDEDLO C=CCCn1cc(C(=O)NCC2CC[NH+](CC(F)F)CC2)nn1 ZINC000575934689 447933143 /nfs/dbraw/zinc/93/31/43/447933143.db2.gz UOMLTGMTABOSPY-UHFFFAOYSA-N 1 2 327.379 1.561 20 30 EDEDLO C#C[C@H](CCC)NC(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000491277192 447981041 /nfs/dbraw/zinc/98/10/41/447981041.db2.gz MYKRUIYHMOPMFI-ZIAGYGMSSA-N 1 2 331.420 1.012 20 30 EDEDLO C#C[C@@H](NC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C(C)(C)C ZINC000491230024 447967475 /nfs/dbraw/zinc/96/74/75/447967475.db2.gz KFGWVSJSDGLBEU-UONOGXRCSA-N 1 2 345.447 1.258 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cnn(Cc3ccccc3)c2)CC1 ZINC000491242984 447970883 /nfs/dbraw/zinc/97/08/83/447970883.db2.gz TYVSNEXJEDLARN-UHFFFAOYSA-N 1 2 338.411 1.088 20 30 EDEDLO Cc1cc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)ncc1C#N ZINC000570462624 448020936 /nfs/dbraw/zinc/02/09/36/448020936.db2.gz IZAPIXROLXNZMW-UHFFFAOYSA-N 1 2 330.413 2.124 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1C#N ZINC000525780314 448024012 /nfs/dbraw/zinc/02/40/12/448024012.db2.gz DYTUIZTUHPFQTJ-UHFFFAOYSA-N 1 2 325.372 1.598 20 30 EDEDLO N#Cc1nc(NCC2([NH+]3CCOCC3)CC2)ccc1C(F)(F)F ZINC000554522499 448027995 /nfs/dbraw/zinc/02/79/95/448027995.db2.gz MXYDMBVPRJXMRV-UHFFFAOYSA-N 1 2 326.322 2.249 20 30 EDEDLO C=CCn1c(CC)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000554630219 448045871 /nfs/dbraw/zinc/04/58/71/448045871.db2.gz ZKMMZTZOERRQMO-UHFFFAOYSA-N 1 2 334.468 1.017 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000491658537 448075875 /nfs/dbraw/zinc/07/58/75/448075875.db2.gz KJUBIPJCIBURKC-KGLIPLIRSA-N 1 2 338.452 1.201 20 30 EDEDLO C#C[C@@H](C)N(C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000491658537 448075879 /nfs/dbraw/zinc/07/58/79/448075879.db2.gz KJUBIPJCIBURKC-KGLIPLIRSA-N 1 2 338.452 1.201 20 30 EDEDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)NCC#CCO)c3)cn2c1 ZINC000555526735 448081532 /nfs/dbraw/zinc/08/15/32/448081532.db2.gz JQYTYTPFIYGUIX-UHFFFAOYSA-N 1 2 349.390 1.947 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O ZINC000491780760 448120566 /nfs/dbraw/zinc/12/05/66/448120566.db2.gz KXDMAGXYKGXJFI-ACJLOTCBSA-N 1 2 329.400 1.763 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O ZINC000491780760 448120571 /nfs/dbraw/zinc/12/05/71/448120571.db2.gz KXDMAGXYKGXJFI-ACJLOTCBSA-N 1 2 329.400 1.763 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000491794814 448127272 /nfs/dbraw/zinc/12/72/72/448127272.db2.gz SUGKGQVBNREZAN-KRWDZBQOSA-N 1 2 331.460 1.407 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000491794814 448127273 /nfs/dbraw/zinc/12/72/73/448127273.db2.gz SUGKGQVBNREZAN-KRWDZBQOSA-N 1 2 331.460 1.407 20 30 EDEDLO C#CCN(CC)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000491806199 448134756 /nfs/dbraw/zinc/13/47/56/448134756.db2.gz QOMCBHUIPVRFHW-AWEZNQCLSA-N 1 2 338.452 1.202 20 30 EDEDLO C#CCN(CC)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000491806199 448134763 /nfs/dbraw/zinc/13/47/63/448134763.db2.gz QOMCBHUIPVRFHW-AWEZNQCLSA-N 1 2 338.452 1.202 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000577193539 448232526 /nfs/dbraw/zinc/23/25/26/448232526.db2.gz IHHCJULIRXIGMF-SQNIBIBYSA-N 1 2 345.443 1.703 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000577296576 448260792 /nfs/dbraw/zinc/26/07/92/448260792.db2.gz GNQBOYIBNNPRJR-UHFFFAOYSA-N 1 2 341.371 1.666 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000577296576 448260800 /nfs/dbraw/zinc/26/08/00/448260800.db2.gz GNQBOYIBNNPRJR-UHFFFAOYSA-N 1 2 341.371 1.666 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCO[C@@]2(CCSC2)C1)C1(C#N)CCCCC1 ZINC000577510465 448317783 /nfs/dbraw/zinc/31/77/83/448317783.db2.gz XWCVHIBWYQBCGS-KRWDZBQOSA-N 1 2 337.489 1.879 20 30 EDEDLO CN(C(=O)C[N@H+]1CCO[C@@]2(CCSC2)C1)C1(C#N)CCCCC1 ZINC000577510465 448317790 /nfs/dbraw/zinc/31/77/90/448317790.db2.gz XWCVHIBWYQBCGS-KRWDZBQOSA-N 1 2 337.489 1.879 20 30 EDEDLO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000564843385 448342435 /nfs/dbraw/zinc/34/24/35/448342435.db2.gz CFDQDZXTRNYJIQ-IRXDYDNUSA-N 1 2 345.422 1.445 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000564391264 448328627 /nfs/dbraw/zinc/32/86/27/448328627.db2.gz ZRMCKEBIQVEQCU-PBHICJAKSA-N 1 2 337.489 1.480 20 30 EDEDLO C=CCn1cc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000566139390 448394071 /nfs/dbraw/zinc/39/40/71/448394071.db2.gz AKPPHJVSFFTHMJ-UHFFFAOYSA-N 1 2 341.419 1.327 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000583148974 448425266 /nfs/dbraw/zinc/42/52/66/448425266.db2.gz WNOUHCXFKDBUKB-KSSFIOAISA-N 1 2 343.406 1.484 20 30 EDEDLO COc1ccccc1C[NH+]1CCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000583299769 448429550 /nfs/dbraw/zinc/42/95/50/448429550.db2.gz PBAKZFWPLAPPBQ-UHFFFAOYSA-N 1 2 328.416 1.826 20 30 EDEDLO N#Cc1ccc(Cc2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cn1 ZINC000528183527 448454418 /nfs/dbraw/zinc/45/44/18/448454418.db2.gz PAAWRASCSDFRCH-LSDHHAIUSA-N 1 2 325.372 1.853 20 30 EDEDLO N#Cc1ccc(Cc2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cn1 ZINC000528183527 448454426 /nfs/dbraw/zinc/45/44/26/448454426.db2.gz PAAWRASCSDFRCH-LSDHHAIUSA-N 1 2 325.372 1.853 20 30 EDEDLO CC[N@H+](CCCNC(=O)N1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000591898494 448555360 /nfs/dbraw/zinc/55/53/60/448555360.db2.gz ICWRMDHCELKMLK-GOSISDBHSA-N 1 2 330.432 1.963 20 30 EDEDLO CC[N@@H+](CCCNC(=O)N1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000591898494 448555363 /nfs/dbraw/zinc/55/53/63/448555363.db2.gz ICWRMDHCELKMLK-GOSISDBHSA-N 1 2 330.432 1.963 20 30 EDEDLO N#CC[C@]1(O)CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000591904036 448560432 /nfs/dbraw/zinc/56/04/32/448560432.db2.gz NQRIYMYEWNCNIG-SFHVURJKSA-N 1 2 343.431 1.632 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000528480586 448545758 /nfs/dbraw/zinc/54/57/58/448545758.db2.gz GBUISHGYLZNOBS-KRWDZBQOSA-N 1 2 334.379 1.846 20 30 EDEDLO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000528480586 448545765 /nfs/dbraw/zinc/54/57/65/448545765.db2.gz GBUISHGYLZNOBS-KRWDZBQOSA-N 1 2 334.379 1.846 20 30 EDEDLO CCOC[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000528724046 448646324 /nfs/dbraw/zinc/64/63/24/448646324.db2.gz LADSCLOCFGXZGA-ZWKOTPCHSA-N 1 2 343.427 1.791 20 30 EDEDLO CCOC[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000528724046 448646326 /nfs/dbraw/zinc/64/63/26/448646326.db2.gz LADSCLOCFGXZGA-ZWKOTPCHSA-N 1 2 343.427 1.791 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccncc2C#N)CCN1c1nccn2cnnc12 ZINC000592082615 448668574 /nfs/dbraw/zinc/66/85/74/448668574.db2.gz NKAMNEVFRXXJFV-CYBMUJFWSA-N 1 2 334.387 1.102 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)CCN1c1nccn2cnnc12 ZINC000592082615 448668580 /nfs/dbraw/zinc/66/85/80/448668580.db2.gz NKAMNEVFRXXJFV-CYBMUJFWSA-N 1 2 334.387 1.102 20 30 EDEDLO COc1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1Br ZINC000517944765 448634193 /nfs/dbraw/zinc/63/41/93/448634193.db2.gz OXEVPDZEPGRHBL-ZDUSSCGKSA-N 1 2 341.209 1.426 20 30 EDEDLO N#Cc1cnccc1C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000592121468 448695180 /nfs/dbraw/zinc/69/51/80/448695180.db2.gz QADJYQFXFFUSED-UHFFFAOYSA-N 1 2 334.445 1.343 20 30 EDEDLO C[C@@H]1C[C@]1(C#N)C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000573772797 448707153 /nfs/dbraw/zinc/70/71/53/448707153.db2.gz WASPEESSIRBVOS-DNVCBOLYSA-N 1 2 346.475 1.377 20 30 EDEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592147528 448707386 /nfs/dbraw/zinc/70/73/86/448707386.db2.gz PQKLUXPTAHPGJA-ZWKOTPCHSA-N 1 2 333.407 1.989 20 30 EDEDLO CC(C)[C@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592147528 448707391 /nfs/dbraw/zinc/70/73/91/448707391.db2.gz PQKLUXPTAHPGJA-ZWKOTPCHSA-N 1 2 333.407 1.989 20 30 EDEDLO COc1cc(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc(OC)c1OC ZINC000592149011 448709322 /nfs/dbraw/zinc/70/93/22/448709322.db2.gz GWGITAYZNIJQGR-QGZVFWFLSA-N 1 2 349.387 1.001 20 30 EDEDLO COc1cc(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc(OC)c1OC ZINC000592149011 448709327 /nfs/dbraw/zinc/70/93/27/448709327.db2.gz GWGITAYZNIJQGR-QGZVFWFLSA-N 1 2 349.387 1.001 20 30 EDEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150748 448711815 /nfs/dbraw/zinc/71/18/15/448711815.db2.gz IJUCHVHIZLOMML-RDTXWAMCSA-N 1 2 331.416 1.565 20 30 EDEDLO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150748 448711819 /nfs/dbraw/zinc/71/18/19/448711819.db2.gz IJUCHVHIZLOMML-RDTXWAMCSA-N 1 2 331.416 1.565 20 30 EDEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000579496664 448810388 /nfs/dbraw/zinc/81/03/88/448810388.db2.gz NMFSWCIAQLRIQT-UHFFFAOYSA-N 1 2 326.400 1.625 20 30 EDEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000579496664 448810390 /nfs/dbraw/zinc/81/03/90/448810390.db2.gz NMFSWCIAQLRIQT-UHFFFAOYSA-N 1 2 326.400 1.625 20 30 EDEDLO C[C@@]1(n2cc(CNc3cc(CC#N)cc[nH+]3)cn2)CCS(=O)(=O)C1 ZINC000545219668 448779063 /nfs/dbraw/zinc/77/90/63/448779063.db2.gz VRCOYBCVAMELFJ-MRXNPFEDSA-N 1 2 345.428 1.490 20 30 EDEDLO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000574312828 448843475 /nfs/dbraw/zinc/84/34/75/448843475.db2.gz NSQVUXJESIBMDV-GOEBONIOSA-N 1 2 343.431 1.517 20 30 EDEDLO C[C@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000574312828 448843479 /nfs/dbraw/zinc/84/34/79/448843479.db2.gz NSQVUXJESIBMDV-GOEBONIOSA-N 1 2 343.431 1.517 20 30 EDEDLO C[C@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1nc(Cc2ccccc2)no1 ZINC000574312828 448843483 /nfs/dbraw/zinc/84/34/83/448843483.db2.gz NSQVUXJESIBMDV-GOEBONIOSA-N 1 2 343.431 1.517 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000547348861 448871667 /nfs/dbraw/zinc/87/16/67/448871667.db2.gz HDHHARDBBMKNTE-CQSZACIVSA-N 1 2 334.416 1.711 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000547348861 448871670 /nfs/dbraw/zinc/87/16/70/448871670.db2.gz HDHHARDBBMKNTE-CQSZACIVSA-N 1 2 334.416 1.711 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(Oc2ncccn2)c1 ZINC000568970594 448944961 /nfs/dbraw/zinc/94/49/61/448944961.db2.gz KFZLYVOBFQTADS-CQSZACIVSA-N 1 2 328.372 1.854 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(Oc2ncccn2)c1 ZINC000568970594 448944966 /nfs/dbraw/zinc/94/49/66/448944966.db2.gz KFZLYVOBFQTADS-CQSZACIVSA-N 1 2 328.372 1.854 20 30 EDEDLO Cc1nc(N)c(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c[nH+]1 ZINC000592799735 448995326 /nfs/dbraw/zinc/99/53/26/448995326.db2.gz XNAAKOJOIFDWMU-MRXNPFEDSA-N 1 2 336.399 1.524 20 30 EDEDLO N#Cc1cccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000589255182 448997165 /nfs/dbraw/zinc/99/71/65/448997165.db2.gz WFVSRQAZDRZMOZ-KRWDZBQOSA-N 1 2 336.395 1.584 20 30 EDEDLO N#Cc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000589255182 448997170 /nfs/dbraw/zinc/99/71/70/448997170.db2.gz WFVSRQAZDRZMOZ-KRWDZBQOSA-N 1 2 336.395 1.584 20 30 EDEDLO Cc1ccc2ncc(C#N)c(N3CC[NH+](CC(=O)N(C)C)CC3)c2c1 ZINC000589859190 449070304 /nfs/dbraw/zinc/07/03/04/449070304.db2.gz FNNFRDGMJNANQE-UHFFFAOYSA-N 1 2 337.427 1.625 20 30 EDEDLO CO[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000595659491 449101187 /nfs/dbraw/zinc/10/11/87/449101187.db2.gz OQQNRYPJXXLEMM-SJCJKPOMSA-N 1 2 335.404 1.568 20 30 EDEDLO CO[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000595659491 449101193 /nfs/dbraw/zinc/10/11/93/449101193.db2.gz OQQNRYPJXXLEMM-SJCJKPOMSA-N 1 2 335.404 1.568 20 30 EDEDLO C[C@H](CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)n1cc[nH+]c1 ZINC000593048375 449113240 /nfs/dbraw/zinc/11/32/40/449113240.db2.gz HVHJYDCTBAZVSG-CQSZACIVSA-N 1 2 338.415 1.886 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(O)cc(C#N)c1)C(C)(C)CO ZINC000597847032 449121049 /nfs/dbraw/zinc/12/10/49/449121049.db2.gz NKFOMKIXRUTRJD-CQSZACIVSA-N 1 2 328.372 1.487 20 30 EDEDLO Cc1nc(COc2cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2)no1 ZINC000593154883 449153749 /nfs/dbraw/zinc/15/37/49/449153749.db2.gz PCBOSQQKOSGZFX-KRWDZBQOSA-N 1 2 343.387 1.531 20 30 EDEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000593155643 449154584 /nfs/dbraw/zinc/15/45/84/449154584.db2.gz NAQOGQLZNLYDTJ-QGZVFWFLSA-N 1 2 329.379 1.894 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000595748430 449144707 /nfs/dbraw/zinc/14/47/07/449144707.db2.gz UJAUBUWBDVBPHM-CQSZACIVSA-N 1 2 335.379 1.983 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000595748430 449144709 /nfs/dbraw/zinc/14/47/09/449144709.db2.gz UJAUBUWBDVBPHM-CQSZACIVSA-N 1 2 335.379 1.983 20 30 EDEDLO CN(C(=O)C[N@H+](C)CC(=O)N(CCC#N)CCC#N)C1CCCCC1 ZINC000604323577 449206244 /nfs/dbraw/zinc/20/62/44/449206244.db2.gz AZRYIWDXFBBKMP-UHFFFAOYSA-N 1 2 347.463 1.365 20 30 EDEDLO CN(C(=O)C[N@@H+](C)CC(=O)N(CCC#N)CCC#N)C1CCCCC1 ZINC000604323577 449206248 /nfs/dbraw/zinc/20/62/48/449206248.db2.gz AZRYIWDXFBBKMP-UHFFFAOYSA-N 1 2 347.463 1.365 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996573 449181579 /nfs/dbraw/zinc/18/15/79/449181579.db2.gz JKIHVDITJSZXNP-RRFJBIMHSA-N 1 2 331.416 1.551 20 30 EDEDLO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996573 449181582 /nfs/dbraw/zinc/18/15/82/449181582.db2.gz JKIHVDITJSZXNP-RRFJBIMHSA-N 1 2 331.416 1.551 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000598000661 449187088 /nfs/dbraw/zinc/18/70/88/449187088.db2.gz YXGFQPLIPQAFHU-IDCJVQTKSA-N 1 2 327.428 1.887 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000598000661 449187093 /nfs/dbraw/zinc/18/70/93/449187093.db2.gz YXGFQPLIPQAFHU-IDCJVQTKSA-N 1 2 327.428 1.887 20 30 EDEDLO C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)S(C)(=O)=O ZINC000593356726 449242321 /nfs/dbraw/zinc/24/23/21/449242321.db2.gz ZWRHRHBXQBEFLF-ZDUSSCGKSA-N 1 2 349.456 1.072 20 30 EDEDLO CC[C@@H](C#N)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000593395283 449262243 /nfs/dbraw/zinc/26/22/43/449262243.db2.gz RZAONGZMNXGHTL-AWEZNQCLSA-N 1 2 328.416 1.755 20 30 EDEDLO CCc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000602034909 449290056 /nfs/dbraw/zinc/29/00/56/449290056.db2.gz WCMMUJVDQBFFGV-UHFFFAOYSA-N 1 2 337.427 1.812 20 30 EDEDLO Cc1[nH+]c2cc(NC(=O)C(=O)N(C)[C@H]3CCC[C@H]3C#N)ccc2n1C ZINC000602066374 449317114 /nfs/dbraw/zinc/31/71/14/449317114.db2.gz GVURLEVQXYQRGF-WFASDCNBSA-N 1 2 339.399 1.971 20 30 EDEDLO C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cc(C#N)cnn3)CC2)C1 ZINC000596119128 449372603 /nfs/dbraw/zinc/37/26/03/449372603.db2.gz JZWMOYNZQQMTHS-HOCLYGCPSA-N 1 2 342.447 1.165 20 30 EDEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1ccc(Cl)c(C#N)c1)CC2 ZINC000611790740 449422353 /nfs/dbraw/zinc/42/23/53/449422353.db2.gz XDZVVBLKFOEOCL-UHFFFAOYSA-N 1 2 336.804 1.921 20 30 EDEDLO Cc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1N1CCOCC1 ZINC000602333155 449522132 /nfs/dbraw/zinc/52/21/32/449522132.db2.gz LXNQXYWFFNKDAF-SFHVURJKSA-N 1 2 330.432 1.405 20 30 EDEDLO Cn1nc2c(c1C[NH+]1CCN(c3ccc(C#N)cn3)CC1)CCCC2 ZINC000602441597 449589097 /nfs/dbraw/zinc/58/90/97/449589097.db2.gz NZOKQFXKAFGSNN-UHFFFAOYSA-N 1 2 336.443 1.888 20 30 EDEDLO C[C@]1(C#N)CCC[N@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000612163561 449595150 /nfs/dbraw/zinc/59/51/50/449595150.db2.gz XHWQLYKFNIIEKQ-LJQANCHMSA-N 1 2 342.443 1.516 20 30 EDEDLO C[C@]1(C#N)CCC[N@@H+](CC(=O)N(CCC(N)=O)Cc2ccccc2)C1 ZINC000612163561 449595158 /nfs/dbraw/zinc/59/51/58/449595158.db2.gz XHWQLYKFNIIEKQ-LJQANCHMSA-N 1 2 342.443 1.516 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000602446127 449593557 /nfs/dbraw/zinc/59/35/57/449593557.db2.gz UWNZYAAZETVLSA-UHFFFAOYSA-N 1 2 325.372 1.846 20 30 EDEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602448959 449596973 /nfs/dbraw/zinc/59/69/73/449596973.db2.gz XBCRAQJQNOKLIH-VIFPVBQESA-N 1 2 346.250 1.688 20 30 EDEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000602448959 449596979 /nfs/dbraw/zinc/59/69/79/449596979.db2.gz XBCRAQJQNOKLIH-VIFPVBQESA-N 1 2 346.250 1.688 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000614468516 449630532 /nfs/dbraw/zinc/63/05/32/449630532.db2.gz RBMZIECUXUYTBI-CQSZACIVSA-N 1 2 349.435 1.143 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2c[nH+]c[nH]2)cc1 ZINC000596876940 449701439 /nfs/dbraw/zinc/70/14/39/449701439.db2.gz NXIPOIUODCQHNF-NSHDSACASA-N 1 2 347.400 1.759 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2c[nH]c[nH+]2)cc1 ZINC000596876940 449701442 /nfs/dbraw/zinc/70/14/42/449701442.db2.gz NXIPOIUODCQHNF-NSHDSACASA-N 1 2 347.400 1.759 20 30 EDEDLO CC1(C)C[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C(C)(C)O1 ZINC000599229153 449816221 /nfs/dbraw/zinc/81/62/21/449816221.db2.gz BRZJYYKEWJGLIY-HNNXBMFYSA-N 1 2 337.464 1.655 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCC[C@@H]2CCOC2)c1=O ZINC000594897191 449798503 /nfs/dbraw/zinc/79/85/03/449798503.db2.gz BIRCGOUOVOTEJD-OAHLLOKOSA-N 1 2 331.416 1.369 20 30 EDEDLO COC(=O)c1ccc2[nH]c(C[NH+]3C[C@H](C)N(CC#N)[C@@H](C)C3)nc2c1 ZINC000602848518 449856384 /nfs/dbraw/zinc/85/63/84/449856384.db2.gz GNDNDJXZFAOMRH-STQMWFEESA-N 1 2 341.415 1.768 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602856961 449865744 /nfs/dbraw/zinc/86/57/44/449865744.db2.gz NGVQUEYQJNNQDD-HOTGVXAUSA-N 1 2 344.459 1.572 20 30 EDEDLO CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602857136 449866460 /nfs/dbraw/zinc/86/64/60/449866460.db2.gz OWGAGQYFYOSJIZ-RBSFLKMASA-N 1 2 332.452 1.709 20 30 EDEDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)CC#N)c(=O)n(-c2ccccc2)n1C ZINC000602865167 449874755 /nfs/dbraw/zinc/87/47/55/449874755.db2.gz XAPPOVXGHKJOJQ-CHWSQXEVSA-N 1 2 341.415 1.703 20 30 EDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000602869925 449879491 /nfs/dbraw/zinc/87/94/91/449879491.db2.gz QPXTVMXAROCUHL-UONOGXRCSA-N 1 2 331.445 1.349 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)CCOCC1 ZINC000599322369 449890949 /nfs/dbraw/zinc/89/09/49/449890949.db2.gz ZFMAVELSZULPCR-QZTJIDSGSA-N 1 2 346.427 1.837 20 30 EDEDLO N#CC1(C[C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)CCOCC1 ZINC000599322369 449890951 /nfs/dbraw/zinc/89/09/51/449890951.db2.gz ZFMAVELSZULPCR-QZTJIDSGSA-N 1 2 346.427 1.837 20 30 EDEDLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCCCC#N)CC1 ZINC000609147679 449968405 /nfs/dbraw/zinc/96/84/05/449968405.db2.gz YALPUSKEMNJHBS-UHFFFAOYSA-N 1 2 343.431 1.890 20 30 EDEDLO C[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)[C@H]1CCC[C@H]1C#N ZINC000602973962 449974389 /nfs/dbraw/zinc/97/43/89/449974389.db2.gz IBKMZTZUXHWPGO-ZNMIVQPWSA-N 1 2 329.400 1.567 20 30 EDEDLO C[N@@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)[C@H]1CCC[C@H]1C#N ZINC000602973962 449974391 /nfs/dbraw/zinc/97/43/91/449974391.db2.gz IBKMZTZUXHWPGO-ZNMIVQPWSA-N 1 2 329.400 1.567 20 30 EDEDLO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NS(=O)(=O)CC1(C#N)CCC1 ZINC000601453415 449975789 /nfs/dbraw/zinc/97/57/89/449975789.db2.gz SOEUBDJEMBECPT-UONOGXRCSA-N 1 2 341.477 1.099 20 30 EDEDLO C[N@H+](CC(=O)NCCN1CCc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC000602975440 449976870 /nfs/dbraw/zinc/97/68/70/449976870.db2.gz BAEVJBMBUPMWCI-IAGOWNOFSA-N 1 2 326.444 1.789 20 30 EDEDLO C[N@@H+](CC(=O)NCCN1CCc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC000602975440 449976872 /nfs/dbraw/zinc/97/68/72/449976872.db2.gz BAEVJBMBUPMWCI-IAGOWNOFSA-N 1 2 326.444 1.789 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599455170 449988222 /nfs/dbraw/zinc/98/82/22/449988222.db2.gz IFOZSFCEWWQQJM-HOCLYGCPSA-N 1 2 337.782 1.935 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C1 ZINC000599455170 449988228 /nfs/dbraw/zinc/98/82/28/449988228.db2.gz IFOZSFCEWWQQJM-HOCLYGCPSA-N 1 2 337.782 1.935 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000609386669 450022204 /nfs/dbraw/zinc/02/22/04/450022204.db2.gz AKDHJJXQZFOXTP-UHFFFAOYSA-N 1 2 341.436 1.993 20 30 EDEDLO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000595353236 450067650 /nfs/dbraw/zinc/06/76/50/450067650.db2.gz DFJAHKLBQKVFBD-LLVKDONJSA-N 1 2 329.372 1.599 20 30 EDEDLO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000595353236 450067656 /nfs/dbraw/zinc/06/76/56/450067656.db2.gz DFJAHKLBQKVFBD-LLVKDONJSA-N 1 2 329.372 1.599 20 30 EDEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599531657 450046230 /nfs/dbraw/zinc/04/62/30/450046230.db2.gz IMLBJRKZJIIKBQ-UBHSHLNASA-N 1 2 335.429 1.057 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000599586794 450087387 /nfs/dbraw/zinc/08/73/87/450087387.db2.gz FGTRTBDKZFVSKY-CVEARBPZSA-N 1 2 330.384 1.679 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000599586794 450087388 /nfs/dbraw/zinc/08/73/88/450087388.db2.gz FGTRTBDKZFVSKY-CVEARBPZSA-N 1 2 330.384 1.679 20 30 EDEDLO N#C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](CCc3cnccn3)CC2)C1 ZINC000601617025 450115213 /nfs/dbraw/zinc/11/52/13/450115213.db2.gz GYLKHDFBWSXIQS-LSDHHAIUSA-N 1 2 328.420 1.039 20 30 EDEDLO Cn1cc(C#N)cc1C(=O)N1CCc2[nH]c[nH+]c2C12CCOCC2 ZINC000601651378 450142582 /nfs/dbraw/zinc/14/25/82/450142582.db2.gz FIMYWYRJJGLFFJ-UHFFFAOYSA-N 1 2 325.372 1.324 20 30 EDEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)cn1 ZINC000599683905 450149585 /nfs/dbraw/zinc/14/95/85/450149585.db2.gz XMDJCYWFTKITKQ-UHFFFAOYSA-N 1 2 338.367 1.795 20 30 EDEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)cn1 ZINC000599683905 450149590 /nfs/dbraw/zinc/14/95/90/450149590.db2.gz XMDJCYWFTKITKQ-UHFFFAOYSA-N 1 2 338.367 1.795 20 30 EDEDLO CCNC(=O)C[NH+]1CCN(c2cccc(-n3cccc3)c2C#N)CC1 ZINC000603274189 450199868 /nfs/dbraw/zinc/19/98/68/450199868.db2.gz SMTOMSVBJTXDHS-UHFFFAOYSA-N 1 2 337.427 1.607 20 30 EDEDLO N#C[C@@]1(F)CCN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000615646787 450184854 /nfs/dbraw/zinc/18/48/54/450184854.db2.gz VETXUXCSEYYTFG-KRWDZBQOSA-N 1 2 331.395 1.058 20 30 EDEDLO COCc1cc(C#N)ccc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000603269356 450195054 /nfs/dbraw/zinc/19/50/54/450195054.db2.gz PICDNDPWUKONLQ-UHFFFAOYSA-N 1 2 328.416 1.105 20 30 EDEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614617 450273199 /nfs/dbraw/zinc/27/31/99/450273199.db2.gz FVQBJDOTPYKMSB-MELADBBJSA-N 1 2 349.456 1.447 20 30 EDEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614617 450273201 /nfs/dbraw/zinc/27/32/01/450273201.db2.gz FVQBJDOTPYKMSB-MELADBBJSA-N 1 2 349.456 1.447 20 30 EDEDLO C=C(C)C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)C(=O)OC ZINC000601781334 450236208 /nfs/dbraw/zinc/23/62/08/450236208.db2.gz IJPVXYYISCAWOQ-INIZCTEOSA-N 1 2 347.415 1.151 20 30 EDEDLO CCC[N@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H]1CC(=O)N(C)C1=O ZINC000619783929 450333554 /nfs/dbraw/zinc/33/35/54/450333554.db2.gz HFTQUQJTCHQCKZ-OAHLLOKOSA-N 1 2 343.383 1.314 20 30 EDEDLO CCC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H]1CC(=O)N(C)C1=O ZINC000619783929 450333559 /nfs/dbraw/zinc/33/35/59/450333559.db2.gz HFTQUQJTCHQCKZ-OAHLLOKOSA-N 1 2 343.383 1.314 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CC[NH+](CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000619719367 450319612 /nfs/dbraw/zinc/31/96/12/450319612.db2.gz VDOUGUXWQVMVQD-OWCLPIDISA-N 1 2 337.464 1.027 20 30 EDEDLO C=CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000625383662 450325523 /nfs/dbraw/zinc/32/55/23/450325523.db2.gz OYXSFOGNBPFAHX-HNNXBMFYSA-N 1 2 331.416 1.030 20 30 EDEDLO C=CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000625383662 450325528 /nfs/dbraw/zinc/32/55/28/450325528.db2.gz OYXSFOGNBPFAHX-HNNXBMFYSA-N 1 2 331.416 1.030 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000603842321 450358918 /nfs/dbraw/zinc/35/89/18/450358918.db2.gz SQUYQYSLTONCDZ-UHFFFAOYSA-N 1 2 341.459 1.432 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000603896246 450370600 /nfs/dbraw/zinc/37/06/00/450370600.db2.gz XNQVZGQUJNVWCC-WDEREUQCSA-N 1 2 347.440 1.930 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000603896246 450370606 /nfs/dbraw/zinc/37/06/06/450370606.db2.gz XNQVZGQUJNVWCC-WDEREUQCSA-N 1 2 347.440 1.930 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000619433382 450472475 /nfs/dbraw/zinc/47/24/75/450472475.db2.gz WQGQVBMWKXFVBR-MSOLQXFVSA-N 1 2 348.491 1.322 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000619433382 450472476 /nfs/dbraw/zinc/47/24/76/450472476.db2.gz WQGQVBMWKXFVBR-MSOLQXFVSA-N 1 2 348.491 1.322 20 30 EDEDLO CC1(C)C[N@H+](CCNS(=O)(=O)c2ccccc2CC#N)CCO1 ZINC000619573068 450509028 /nfs/dbraw/zinc/50/90/28/450509028.db2.gz HSPANJQOUSOEOI-UHFFFAOYSA-N 1 2 337.445 1.142 20 30 EDEDLO CC1(C)C[N@@H+](CCNS(=O)(=O)c2ccccc2CC#N)CCO1 ZINC000619573068 450509031 /nfs/dbraw/zinc/50/90/31/450509031.db2.gz HSPANJQOUSOEOI-UHFFFAOYSA-N 1 2 337.445 1.142 20 30 EDEDLO C=CCN(C(=O)c1ccn2cc(C)[nH+]c2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000635402192 450910081 /nfs/dbraw/zinc/91/00/81/450910081.db2.gz NSYUDDFUIOFGMU-CQSZACIVSA-N 1 2 333.413 1.458 20 30 EDEDLO C=CCn1cc(CNC(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)nn1 ZINC000636056755 451473257 /nfs/dbraw/zinc/47/32/57/451473257.db2.gz XDMMIADXFMBXIA-QGZVFWFLSA-N 1 2 341.415 1.363 20 30 EDEDLO C=CCn1cc(CNC(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)nn1 ZINC000636056755 451473259 /nfs/dbraw/zinc/47/32/59/451473259.db2.gz XDMMIADXFMBXIA-QGZVFWFLSA-N 1 2 341.415 1.363 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCc2ccc(Cl)cc2)nn1 ZINC000640757510 451555581 /nfs/dbraw/zinc/55/55/81/451555581.db2.gz NZGORANSJOCMMB-UHFFFAOYSA-N 1 2 331.807 1.361 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccccc2OCC)nn1 ZINC000640760681 451559775 /nfs/dbraw/zinc/55/97/75/451559775.db2.gz QDBFIACJOIMGNY-UHFFFAOYSA-N 1 2 327.388 1.428 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H]2CCOc3ccccc32)nn1 ZINC000640843263 451629748 /nfs/dbraw/zinc/62/97/48/451629748.db2.gz DOWPPSQWBINVIK-INIZCTEOSA-N 1 2 339.399 1.031 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2cccc3[nH]ccc32)nn1 ZINC000641222285 451788431 /nfs/dbraw/zinc/78/84/31/451788431.db2.gz UHALMDMILCFERA-HNNXBMFYSA-N 1 2 339.399 1.312 20 30 EDEDLO C=CCCn1cc(CN2CC[NH+](Cc3c(C)noc3C)CC2)nn1 ZINC000653574665 452022089 /nfs/dbraw/zinc/02/20/89/452022089.db2.gz JSSZZXDBNREZSE-UHFFFAOYSA-N 1 2 330.436 1.777 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)nn2)C1=O ZINC000653657368 452063785 /nfs/dbraw/zinc/06/37/85/452063785.db2.gz UEQVWFDEEGWGNH-LBPRGKRZSA-N 1 2 344.337 1.636 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)nn2)C1=O ZINC000653657368 452063790 /nfs/dbraw/zinc/06/37/90/452063790.db2.gz UEQVWFDEEGWGNH-LBPRGKRZSA-N 1 2 344.337 1.636 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000645138747 452172345 /nfs/dbraw/zinc/17/23/45/452172345.db2.gz OEZSSYMUUANUDK-JKSUJKDBSA-N 1 2 344.390 1.722 20 30 EDEDLO C=CCN(C(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@@H](C)COC ZINC000663598712 452326073 /nfs/dbraw/zinc/32/60/73/452326073.db2.gz OFDFAQNBMIBLGM-HNNXBMFYSA-N 1 2 348.447 1.651 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(CCc2cnccn2)CC1 ZINC000640097289 452420508 /nfs/dbraw/zinc/42/05/08/452420508.db2.gz LGRIGJBBGFZLLV-QGZVFWFLSA-N 1 2 343.475 1.226 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](CCc2cnccn2)CC1 ZINC000640097289 452420516 /nfs/dbraw/zinc/42/05/16/452420516.db2.gz LGRIGJBBGFZLLV-QGZVFWFLSA-N 1 2 343.475 1.226 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)nn1 ZINC000648227486 452927479 /nfs/dbraw/zinc/92/74/79/452927479.db2.gz MAZMEQZLKYMBLW-INIZCTEOSA-N 1 2 341.415 1.267 20 30 EDEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000658709042 453296627 /nfs/dbraw/zinc/29/66/27/453296627.db2.gz BMLVMDQFJZTKFN-CABCVRRESA-N 1 2 330.432 1.551 20 30 EDEDLO C=CC[C@]1(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CCC[NH2+]1 ZINC000662582135 453309891 /nfs/dbraw/zinc/30/98/91/453309891.db2.gz MMDJOWGZBTYWSN-QGZVFWFLSA-N 1 2 329.379 1.925 20 30 EDEDLO C=CC[C@]1(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CCC[NH2+]1 ZINC000662582135 453309899 /nfs/dbraw/zinc/30/98/99/453309899.db2.gz MMDJOWGZBTYWSN-QGZVFWFLSA-N 1 2 329.379 1.925 20 30 EDEDLO C=CCNC(=O)C[NH+]1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000664941273 453506332 /nfs/dbraw/zinc/50/63/32/453506332.db2.gz NMXUCKUSCVDJEE-UHFFFAOYSA-N 1 2 330.363 1.751 20 30 EDEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661377735 453803148 /nfs/dbraw/zinc/80/31/48/453803148.db2.gz SLOYJFVFOLWZPI-HUUCEWRRSA-N 1 2 328.478 1.310 20 30 EDEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000661377735 453803149 /nfs/dbraw/zinc/80/31/49/453803149.db2.gz SLOYJFVFOLWZPI-HUUCEWRRSA-N 1 2 328.478 1.310 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672781921 486799042 /nfs/dbraw/zinc/79/90/42/486799042.db2.gz GMHGGNKDBMQCQR-HZPDHXFCSA-N 1 2 337.464 1.171 20 30 EDEDLO COCC#CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000677479231 487096419 /nfs/dbraw/zinc/09/64/19/487096419.db2.gz KHSVIHJWQXJZTD-HNNXBMFYSA-N 1 2 340.420 1.218 20 30 EDEDLO COCC#CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000677479231 487096421 /nfs/dbraw/zinc/09/64/21/487096421.db2.gz KHSVIHJWQXJZTD-HNNXBMFYSA-N 1 2 340.420 1.218 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000668552468 485884005 /nfs/dbraw/zinc/88/40/05/485884005.db2.gz MVRGIEFXVZPNEA-HNNXBMFYSA-N 1 2 344.459 1.693 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000668647166 485992409 /nfs/dbraw/zinc/99/24/09/485992409.db2.gz IVBHLTPRIZLFQJ-INIZCTEOSA-N 1 2 341.455 1.933 20 30 EDEDLO N#CCOc1cccc(CC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000089590370 534696983 /nfs/dbraw/zinc/69/69/83/534696983.db2.gz HGVOSPFGHNISDW-UHFFFAOYSA-N 1 2 336.395 1.875 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000246047678 534861989 /nfs/dbraw/zinc/86/19/89/534861989.db2.gz CAKZLZJXEYJBTJ-CKEIUWERSA-N 1 2 331.416 1.849 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000246047678 534861990 /nfs/dbraw/zinc/86/19/90/534861990.db2.gz CAKZLZJXEYJBTJ-CKEIUWERSA-N 1 2 331.416 1.849 20 30 EDEDLO CC(C)[C@H](C(=O)Nc1ccn(CCC#N)n1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246637897 534914716 /nfs/dbraw/zinc/91/47/16/534914716.db2.gz DQSUHIHFYHDIGD-IIAWOOMASA-N 1 2 333.436 1.869 20 30 EDEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000171926384 526899813 /nfs/dbraw/zinc/89/98/13/526899813.db2.gz LFFXDYUJDSOFFI-UHFFFAOYSA-N 1 2 343.471 1.991 20 30 EDEDLO C=CCOc1cccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000171926384 526899815 /nfs/dbraw/zinc/89/98/15/526899815.db2.gz LFFXDYUJDSOFFI-UHFFFAOYSA-N 1 2 343.471 1.991 20 30 EDEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000091930593 526931339 /nfs/dbraw/zinc/93/13/39/526931339.db2.gz JTGRTQZCHLBYPC-UHFFFAOYSA-N 1 2 343.427 1.174 20 30 EDEDLO CCN(CCC#N)C(=O)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000124097697 528352778 /nfs/dbraw/zinc/35/27/78/528352778.db2.gz JQHRBXRBGJTPNR-UHFFFAOYSA-N 1 2 344.415 1.219 20 30 EDEDLO Cn1cc[nH+]c1CN=Nc1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000727253146 578523694 /nfs/dbraw/zinc/52/36/94/578523694.db2.gz BPALLXQTLGZCDT-UHFFFAOYSA-N 1 2 348.432 1.436 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(NN=Cc3ccoc3)nc2)CC1 ZINC000727255639 578523780 /nfs/dbraw/zinc/52/37/80/578523780.db2.gz BLAZRHLPQAXVBR-UHFFFAOYSA-N 1 2 349.416 1.057 20 30 EDEDLO CCC(CC)CN(CCC#N)C(=S)NCC[NH+]1CCOCC1 ZINC000729642494 578586110 /nfs/dbraw/zinc/58/61/10/578586110.db2.gz NUWKSMQEWMPAFT-UHFFFAOYSA-N 1 2 326.510 1.845 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000730285853 578639919 /nfs/dbraw/zinc/63/99/19/578639919.db2.gz LOKROKWCGXMGBI-AWEZNQCLSA-N 1 2 327.363 1.325 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000730285853 578639920 /nfs/dbraw/zinc/63/99/20/578639920.db2.gz LOKROKWCGXMGBI-AWEZNQCLSA-N 1 2 327.363 1.325 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000730285853 578639921 /nfs/dbraw/zinc/63/99/21/578639921.db2.gz LOKROKWCGXMGBI-AWEZNQCLSA-N 1 2 327.363 1.325 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000730285853 578639922 /nfs/dbraw/zinc/63/99/22/578639922.db2.gz LOKROKWCGXMGBI-AWEZNQCLSA-N 1 2 327.363 1.325 20 30 EDEDLO Cc1cc(N[NH+]=Cc2c(Cl)nc(N)nc2N2CCCC2)ncn1 ZINC000731934607 578684579 /nfs/dbraw/zinc/68/45/79/578684579.db2.gz DUCNPXLWKPKPKB-UHFFFAOYSA-N 1 2 332.799 1.857 20 30 EDEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736123307 578955246 /nfs/dbraw/zinc/95/52/46/578955246.db2.gz BMWPDDWVFJGSGH-BZNIZROVSA-N 1 2 347.382 1.616 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000744423014 579510221 /nfs/dbraw/zinc/51/02/21/579510221.db2.gz RPKXDWJMIOYJSN-AWEZNQCLSA-N 1 2 345.830 1.470 20 30 EDEDLO C#CCN(C(=O)[C@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000746153558 579574223 /nfs/dbraw/zinc/57/42/23/579574223.db2.gz ZLKOBYUZHGHVNG-RDJZCZTQSA-N 1 2 348.468 1.156 20 30 EDEDLO C#CCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000746153558 579574224 /nfs/dbraw/zinc/57/42/24/579574224.db2.gz ZLKOBYUZHGHVNG-RDJZCZTQSA-N 1 2 348.468 1.156 20 30 EDEDLO Cc1ccc(NC(=O)CCNC(=O)C2N=CC=CC2=O)c(N(C)C)[nH+]1 ZINC000750529717 579769260 /nfs/dbraw/zinc/76/92/60/579769260.db2.gz YEEFMFVQZGMNBA-ICFOKQHNSA-N 1 2 343.387 1.311 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OCC(=O)OC)cc1 ZINC000753283345 579876187 /nfs/dbraw/zinc/87/61/87/579876187.db2.gz QZKUUGCVWYSMBW-INIZCTEOSA-N 1 2 330.384 1.299 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OCC(=O)OC)cc1 ZINC000753283345 579876188 /nfs/dbraw/zinc/87/61/88/579876188.db2.gz QZKUUGCVWYSMBW-INIZCTEOSA-N 1 2 330.384 1.299 20 30 EDEDLO C=CCc1cc(C[NH+]2CC(OCC(=O)N(C)C)C2)c(O)c(OC)c1 ZINC000754738323 579910526 /nfs/dbraw/zinc/91/05/26/579910526.db2.gz XVDKATSITQTNRQ-UHFFFAOYSA-N 1 2 334.416 1.418 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](C(=O)OCC)C2)c(O)c(OC)c1 ZINC000754740902 579910590 /nfs/dbraw/zinc/91/05/90/579910590.db2.gz JEYBXHBRHIQGQM-MRXNPFEDSA-N 1 2 335.400 1.893 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](C(=O)OCC)C2)c(O)c(OC)c1 ZINC000754740902 579910591 /nfs/dbraw/zinc/91/05/91/579910591.db2.gz JEYBXHBRHIQGQM-MRXNPFEDSA-N 1 2 335.400 1.893 20 30 EDEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]CC(=O)NCCC#N)n2)ccc1F ZINC000755166218 579921756 /nfs/dbraw/zinc/92/17/56/579921756.db2.gz JCTSMJSFCKAGRT-LLVKDONJSA-N 1 2 331.351 1.865 20 30 EDEDLO CCOC(=O)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C1CCOCC1 ZINC000755195306 579922513 /nfs/dbraw/zinc/92/25/13/579922513.db2.gz ZVTRTWGZWHTLMV-DLBZAZTESA-N 1 2 332.400 1.540 20 30 EDEDLO FC(F)(F)Cn1ccnc1CN=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761837332 580062394 /nfs/dbraw/zinc/06/23/94/580062394.db2.gz DKCDLSJPNOWJFH-UHFFFAOYSA-N 1 2 336.281 1.867 20 30 EDEDLO CC(C)(C)[N@H+](CC(N)=O)Cc1nc2ccccc2c(=O)n1CC#N ZINC000761905898 580063446 /nfs/dbraw/zinc/06/34/46/580063446.db2.gz UZRRTKNOFRAGBF-UHFFFAOYSA-N 1 2 327.388 1.006 20 30 EDEDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1nc2ccccc2c(=O)n1CC#N ZINC000761905898 580063447 /nfs/dbraw/zinc/06/34/47/580063447.db2.gz UZRRTKNOFRAGBF-UHFFFAOYSA-N 1 2 327.388 1.006 20 30 EDEDLO CC(C)O[C@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)C1(C)C ZINC000764897027 580130738 /nfs/dbraw/zinc/13/07/38/580130738.db2.gz RHAJIJVFUCTCDY-AWEZNQCLSA-N 1 2 342.509 1.362 20 30 EDEDLO CC(C)C(=O)NC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766611347 580170086 /nfs/dbraw/zinc/17/00/86/580170086.db2.gz DKWIZLQNNQPYSG-UHFFFAOYSA-N 1 2 342.443 1.403 20 30 EDEDLO C[N@H+](CC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000767114627 580181976 /nfs/dbraw/zinc/18/19/76/580181976.db2.gz CLDIZLWATZPTAM-DZGCQCFKSA-N 1 2 333.413 1.065 20 30 EDEDLO C[N@@H+](CC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CCSC1 ZINC000767114627 580181977 /nfs/dbraw/zinc/18/19/77/580181977.db2.gz CLDIZLWATZPTAM-DZGCQCFKSA-N 1 2 333.413 1.065 20 30 EDEDLO C[C@H]1C(=NNC(=S)NCC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC000767748842 580198508 /nfs/dbraw/zinc/19/85/08/580198508.db2.gz MCILRUCJSFYPQB-GDBMZVCRSA-N 1 2 346.500 1.962 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCCO1 ZINC000773245556 580331634 /nfs/dbraw/zinc/33/16/34/580331634.db2.gz KDGAVNUDVXURKL-WBVHZDCISA-N 1 2 342.374 1.991 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCCC#N ZINC000775837928 580402273 /nfs/dbraw/zinc/40/22/73/580402273.db2.gz QFBZVZSFZUBASG-ILXRZTDVSA-N 1 2 335.448 1.991 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCCC#N ZINC000775837928 580402274 /nfs/dbraw/zinc/40/22/74/580402274.db2.gz QFBZVZSFZUBASG-ILXRZTDVSA-N 1 2 335.448 1.991 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1 ZINC000779185897 580480745 /nfs/dbraw/zinc/48/07/45/580480745.db2.gz KPRILYIEBHGGRY-KRWDZBQOSA-N 1 2 338.411 1.976 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1 ZINC000779185897 580480746 /nfs/dbraw/zinc/48/07/46/580480746.db2.gz KPRILYIEBHGGRY-KRWDZBQOSA-N 1 2 338.411 1.976 20 30 EDEDLO C=CCNC(=S)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000780210979 580516225 /nfs/dbraw/zinc/51/62/25/580516225.db2.gz CTNLISXPNPIWQO-UHFFFAOYSA-N 1 2 332.473 1.823 20 30 EDEDLO N#Cc1ccc([C@H](O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000780871679 580536250 /nfs/dbraw/zinc/53/62/50/580536250.db2.gz BHPYVOGMUDNMMS-SFHVURJKSA-N 1 2 336.395 1.903 20 30 EDEDLO CCCC[C@@H](ON=C(C)C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000781075406 580541454 /nfs/dbraw/zinc/54/14/54/580541454.db2.gz SPYSVHMOAQQEMR-MRXNPFEDSA-N 1 2 340.468 1.238 20 30 EDEDLO C#CCOCCNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000784350960 580619078 /nfs/dbraw/zinc/61/90/78/580619078.db2.gz UGLJXWVVXPQZKH-UHFFFAOYSA-N 1 2 326.400 1.575 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](C[C@@H](O)c3cccc(F)c3)CC2)c1C#N ZINC000788274115 580715633 /nfs/dbraw/zinc/71/56/33/580715633.db2.gz FFTBYXMDJBGOSX-QGZVFWFLSA-N 1 2 343.406 1.595 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788475892 580722377 /nfs/dbraw/zinc/72/23/77/580722377.db2.gz VSAIJBLZVGEUAJ-CQSZACIVSA-N 1 2 345.428 1.727 20 30 EDEDLO COc1ccc(CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1C#N ZINC000789122678 580737109 /nfs/dbraw/zinc/73/71/09/580737109.db2.gz HLEPMUIEFXKXCK-AWEZNQCLSA-N 1 2 346.431 1.429 20 30 EDEDLO COCCC[N@H+](CCOC)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793486362 580845354 /nfs/dbraw/zinc/84/53/54/580845354.db2.gz MLKRWRJNUDMMGF-UHFFFAOYSA-N 1 2 333.432 1.541 20 30 EDEDLO COCCC[N@@H+](CCOC)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793486362 580845355 /nfs/dbraw/zinc/84/53/55/580845355.db2.gz MLKRWRJNUDMMGF-UHFFFAOYSA-N 1 2 333.432 1.541 20 30 EDEDLO N#Cc1c(=O)n(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc2c1CCCC2 ZINC000793495687 580845898 /nfs/dbraw/zinc/84/58/98/580845898.db2.gz BZEVJLOJCBADRW-OAHLLOKOSA-N 1 2 343.427 1.641 20 30 EDEDLO N#Cc1c(=O)n(C[N@H+]2CCC[C@@H](C3OCCO3)C2)cc2c1CCCC2 ZINC000793495687 580845899 /nfs/dbraw/zinc/84/58/99/580845899.db2.gz BZEVJLOJCBADRW-OAHLLOKOSA-N 1 2 343.427 1.641 20 30 EDEDLO CC(C)[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589511 580848455 /nfs/dbraw/zinc/84/84/55/580848455.db2.gz HLXJWHMBPDTORL-HOTGVXAUSA-N 1 2 328.416 1.868 20 30 EDEDLO CC(C)[C@H]1CC(=O)N(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793589511 580848456 /nfs/dbraw/zinc/84/84/56/580848456.db2.gz HLXJWHMBPDTORL-HOTGVXAUSA-N 1 2 328.416 1.868 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C(=O)c4ccccc4C3=O)C2)nc1 ZINC000793592278 580848463 /nfs/dbraw/zinc/84/84/63/580848463.db2.gz QRXVKSRUKDTCOM-CQSZACIVSA-N 1 2 348.362 1.660 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C(=O)c4ccccc4C3=O)C2)nc1 ZINC000793592278 580848464 /nfs/dbraw/zinc/84/84/64/580848464.db2.gz QRXVKSRUKDTCOM-CQSZACIVSA-N 1 2 348.362 1.660 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C[C@@H](C4CC4)CC3=O)C2)nc1 ZINC000793594372 580848592 /nfs/dbraw/zinc/84/85/92/580848592.db2.gz YQXKMEOXNKLVKB-JKSUJKDBSA-N 1 2 326.400 1.622 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C[C@@H](C4CC4)CC3=O)C2)nc1 ZINC000793594372 580848593 /nfs/dbraw/zinc/84/85/93/580848593.db2.gz YQXKMEOXNKLVKB-JKSUJKDBSA-N 1 2 326.400 1.622 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000793821061 580857156 /nfs/dbraw/zinc/85/71/56/580857156.db2.gz SIXJUEFZYZGNSN-OCCSQVGLSA-N 1 2 347.419 1.228 20 30 EDEDLO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H]1COC(=O)c1ccnc(C#N)c1 ZINC000796743690 580961095 /nfs/dbraw/zinc/96/10/95/580961095.db2.gz MUTBGKSAGRAKMJ-OAHLLOKOSA-N 1 2 345.399 1.916 20 30 EDEDLO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H]1COC(=O)c1ccnc(C#N)c1 ZINC000796743690 580961096 /nfs/dbraw/zinc/96/10/96/580961096.db2.gz MUTBGKSAGRAKMJ-OAHLLOKOSA-N 1 2 345.399 1.916 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000798408709 580996542 /nfs/dbraw/zinc/99/65/42/580996542.db2.gz ATXZCPXZJCELET-ZDUSSCGKSA-N 1 2 331.482 1.149 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000799214374 581022402 /nfs/dbraw/zinc/02/24/02/581022402.db2.gz FEEQZHXCGYEDGN-OAHLLOKOSA-N 1 2 342.399 1.858 20 30 EDEDLO COc1cc(C[NH+]2CCN(CCO[C@H](C)C#N)CC2)cc(OC)c1 ZINC000801924401 581088175 /nfs/dbraw/zinc/08/81/75/581088175.db2.gz OPZRNPKFKRXIJT-OAHLLOKOSA-N 1 2 333.432 1.750 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](Nc2nccn3c[nH+]cc23)[C@@H](C#N)C1 ZINC000893170448 590695002 /nfs/dbraw/zinc/69/50/02/590695002.db2.gz JWMYSBMOQKWFDR-RYUDHWBXSA-N 1 2 328.376 1.900 20 30 EDEDLO C=CCC1(C(=O)O[C@@H]2C[N@H+](C)[C@@](C)(C(=O)OC)C2)CCOCC1 ZINC000893573212 590974294 /nfs/dbraw/zinc/97/42/94/590974294.db2.gz GTBICJHDKQOWMA-XJKSGUPXSA-N 1 2 325.405 1.538 20 30 EDEDLO C=CCC1(C(=O)O[C@@H]2C[N@@H+](C)[C@@](C)(C(=O)OC)C2)CCOCC1 ZINC000893573212 590974296 /nfs/dbraw/zinc/97/42/96/590974296.db2.gz GTBICJHDKQOWMA-XJKSGUPXSA-N 1 2 325.405 1.538 20 30 EDEDLO Cn1nc2c(c1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CCC2 ZINC000893576344 590978553 /nfs/dbraw/zinc/97/85/53/590978553.db2.gz QFPTVSNFRXEWDG-IUODEOHRSA-N 1 2 345.447 1.757 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000891605502 591146987 /nfs/dbraw/zinc/14/69/87/591146987.db2.gz FVWVHWOEORSWGZ-CQSZACIVSA-N 1 2 333.819 1.801 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000891605502 591146989 /nfs/dbraw/zinc/14/69/89/591146989.db2.gz FVWVHWOEORSWGZ-CQSZACIVSA-N 1 2 333.819 1.801 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)C)cc2)C1 ZINC000891607176 591147279 /nfs/dbraw/zinc/14/72/79/591147279.db2.gz RRYZTEJJJQDFST-MRXNPFEDSA-N 1 2 343.427 1.626 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)C)cc2)C1 ZINC000891607176 591147280 /nfs/dbraw/zinc/14/72/80/591147280.db2.gz RRYZTEJJJQDFST-MRXNPFEDSA-N 1 2 343.427 1.626 20 30 EDEDLO C[C@@]1(C#N)CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCO1 ZINC000891688530 591186842 /nfs/dbraw/zinc/18/68/42/591186842.db2.gz KSNDXAURLHOKLP-GOSISDBHSA-N 1 2 339.399 1.755 20 30 EDEDLO COCC(COC)[NH+]1CCN(c2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000894182001 591219087 /nfs/dbraw/zinc/21/90/87/591219087.db2.gz VZCFPPBQXOFTJR-UHFFFAOYSA-N 1 2 340.405 1.311 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(Cl)c2C)CC1 ZINC000895919232 591304737 /nfs/dbraw/zinc/30/47/37/591304737.db2.gz SETRPYCQMCBQHG-UHFFFAOYSA-N 1 2 341.864 1.234 20 30 EDEDLO N#Cc1cc(CN2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)cs1 ZINC000894450583 591315203 /nfs/dbraw/zinc/31/52/03/591315203.db2.gz WXMYFMBUEXPWQS-QGZVFWFLSA-N 1 2 340.452 1.964 20 30 EDEDLO O=C1[C@H]([NH2+]Cc2ccccc2I)CCCN1O ZINC000895164674 591630598 /nfs/dbraw/zinc/63/05/98/591630598.db2.gz GEDUOLWFBKDNDC-LLVKDONJSA-N 1 2 346.168 1.761 20 30 EDEDLO C[C@]1(C#N)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000896858324 591637679 /nfs/dbraw/zinc/63/76/79/591637679.db2.gz XJTXQYFAUNCPTM-KRWDZBQOSA-N 1 2 346.387 1.546 20 30 EDEDLO C=CCC[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(=O)OCC ZINC000897918212 591720853 /nfs/dbraw/zinc/72/08/53/591720853.db2.gz AARVWCYOGHGVQN-WFASDCNBSA-N 1 2 334.420 1.804 20 30 EDEDLO C=CCC[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(=O)OCC ZINC000897918212 591720858 /nfs/dbraw/zinc/72/08/58/591720858.db2.gz AARVWCYOGHGVQN-WFASDCNBSA-N 1 2 334.420 1.804 20 30 EDEDLO C=CCC[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)C(=O)OCC ZINC000897918212 591720861 /nfs/dbraw/zinc/72/08/61/591720861.db2.gz AARVWCYOGHGVQN-WFASDCNBSA-N 1 2 334.420 1.804 20 30 EDEDLO C=CCC[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)C(=O)OCC ZINC000897918212 591720866 /nfs/dbraw/zinc/72/08/66/591720866.db2.gz AARVWCYOGHGVQN-WFASDCNBSA-N 1 2 334.420 1.804 20 30 EDEDLO C#CCC1(O)CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000899224782 591741465 /nfs/dbraw/zinc/74/14/65/591741465.db2.gz UTUADPNSGYIWLS-UHFFFAOYSA-N 1 2 325.368 1.568 20 30 EDEDLO Cn1nc2c(c1C[NH+]1CCN(c3ccc(C#N)nc3)CC1)COCC2 ZINC000895492839 591776326 /nfs/dbraw/zinc/77/63/26/591776326.db2.gz GPULFVMCAAMZJF-UHFFFAOYSA-N 1 2 338.415 1.082 20 30 EDEDLO COCC[C@@H]1CCN(C[N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000902345420 591977068 /nfs/dbraw/zinc/97/70/68/591977068.db2.gz KSGWKDFVLJZDBM-INIZCTEOSA-N 1 2 327.428 1.953 20 30 EDEDLO COCC[C@@H]1CCN(C[N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000902345420 591977070 /nfs/dbraw/zinc/97/70/70/591977070.db2.gz KSGWKDFVLJZDBM-INIZCTEOSA-N 1 2 327.428 1.953 20 30 EDEDLO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1)c1cccc(C#N)c1O ZINC000903107833 592120744 /nfs/dbraw/zinc/12/07/44/592120744.db2.gz GEQDAQXQVAMBTJ-BNGXUDDSSA-N 1 2 329.400 1.741 20 30 EDEDLO COc1ccc(C)cc1C[NH+]1CCN(CC(=O)NCCC#N)CC1 ZINC000027367377 592300450 /nfs/dbraw/zinc/30/04/50/592300450.db2.gz UMJVBSYDVDUZQD-UHFFFAOYSA-N 1 2 330.432 1.151 20 30 EDEDLO C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000907041447 592476533 /nfs/dbraw/zinc/47/65/33/592476533.db2.gz DMULBLCSTIPVOS-OCCSQVGLSA-N 1 2 331.401 1.422 20 30 EDEDLO CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)c1ccc(C#N)cn1 ZINC000907153281 592539434 /nfs/dbraw/zinc/53/94/34/592539434.db2.gz CYVBQCRJAQCEPR-UHFFFAOYSA-N 1 2 347.444 1.813 20 30 EDEDLO C=CCN(CCc1ccco1)C(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000907249802 592571331 /nfs/dbraw/zinc/57/13/31/592571331.db2.gz KRYJAWATOJHONU-AWEZNQCLSA-N 1 2 345.399 1.705 20 30 EDEDLO C=CCN(CCc1ccco1)C(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000907249802 592571333 /nfs/dbraw/zinc/57/13/33/592571333.db2.gz KRYJAWATOJHONU-AWEZNQCLSA-N 1 2 345.399 1.705 20 30 EDEDLO C=CCn1c([C@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC000908695574 592574460 /nfs/dbraw/zinc/57/44/60/592574460.db2.gz QQACSMOZKXYYOX-APIJFGDWSA-N 1 2 349.504 1.655 20 30 EDEDLO C=CCn1c([C@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC000908695574 592574464 /nfs/dbraw/zinc/57/44/64/592574464.db2.gz QQACSMOZKXYYOX-APIJFGDWSA-N 1 2 349.504 1.655 20 30 EDEDLO N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000907801086 592787230 /nfs/dbraw/zinc/78/72/30/592787230.db2.gz RMTMOBSMSHXHBV-KGLIPLIRSA-N 1 2 334.376 1.966 20 30 EDEDLO Cn1ccc(-n2cc(C[N@H+](C)C[C@@H](O)c3cccc(C#N)c3)nn2)n1 ZINC000906313870 592792712 /nfs/dbraw/zinc/79/27/12/592792712.db2.gz SIDVTIKZJNMIHG-MRXNPFEDSA-N 1 2 337.387 1.038 20 30 EDEDLO Cn1ccc(-n2cc(C[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)nn2)n1 ZINC000906313870 592792713 /nfs/dbraw/zinc/79/27/13/592792713.db2.gz SIDVTIKZJNMIHG-MRXNPFEDSA-N 1 2 337.387 1.038 20 30 EDEDLO C=CCOCCCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C(CO)CO ZINC000909301821 592802750 /nfs/dbraw/zinc/80/27/50/592802750.db2.gz GJUJJMYIMILXOR-UHFFFAOYSA-N 1 2 347.415 1.792 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000838117062 593128191 /nfs/dbraw/zinc/12/81/91/593128191.db2.gz YIDXGNROIJYUNN-HNNXBMFYSA-N 1 2 331.416 1.219 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000838117062 593128193 /nfs/dbraw/zinc/12/81/93/593128193.db2.gz YIDXGNROIJYUNN-HNNXBMFYSA-N 1 2 331.416 1.219 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](C#N)C1 ZINC000807247146 593156650 /nfs/dbraw/zinc/15/66/50/593156650.db2.gz RSGYZARUVGOEHY-RYUDHWBXSA-N 1 2 333.392 1.218 20 30 EDEDLO Cn1c[nH+]c(CNc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1 ZINC000808441388 593258934 /nfs/dbraw/zinc/25/89/34/593258934.db2.gz WQGOKZSFFDTIGY-MNDPQUGUSA-N 1 2 347.444 1.845 20 30 EDEDLO C#CCCCS(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000804942840 593320788 /nfs/dbraw/zinc/32/07/88/593320788.db2.gz XTWGOXLQICBPTD-OAHLLOKOSA-N 1 2 335.404 1.981 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000840180359 593342692 /nfs/dbraw/zinc/34/26/92/593342692.db2.gz VKACJIDQJNAVQT-IBGZPJMESA-N 1 2 341.411 1.977 20 30 EDEDLO C=CCN1CCN(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)C1=O ZINC000840180359 593342695 /nfs/dbraw/zinc/34/26/95/593342695.db2.gz VKACJIDQJNAVQT-IBGZPJMESA-N 1 2 341.411 1.977 20 30 EDEDLO C#CCNC(=S)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000758186946 593395197 /nfs/dbraw/zinc/39/51/97/593395197.db2.gz SYOSZXUQFAWYKR-UHFFFAOYSA-N 1 2 330.457 1.187 20 30 EDEDLO CC1(C)C(=O)N(C[NH+]2CCN(c3cccc(C#N)n3)CC2)[C@H]1C1CC1 ZINC000811765132 593480210 /nfs/dbraw/zinc/48/02/10/593480210.db2.gz XAYXEFDCYULVSD-KRWDZBQOSA-N 1 2 339.443 1.680 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000817283099 593588703 /nfs/dbraw/zinc/58/87/03/593588703.db2.gz XIEDKQFERSVCIC-NVXWUHKLSA-N 1 2 342.443 1.841 20 30 EDEDLO CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000817283099 593588704 /nfs/dbraw/zinc/58/87/04/593588704.db2.gz XIEDKQFERSVCIC-NVXWUHKLSA-N 1 2 342.443 1.841 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000824300187 593979873 /nfs/dbraw/zinc/97/98/73/593979873.db2.gz WHKPHRMBIZKOPC-OAHLLOKOSA-N 1 2 327.388 1.354 20 30 EDEDLO N#CC1(c2ccc(C(=O)N3CC[NH+](Cc4cn[nH]c4)CC3)cc2)CC1 ZINC000823024745 594139627 /nfs/dbraw/zinc/13/96/27/594139627.db2.gz GBHBYOFAWWYMNP-UHFFFAOYSA-N 1 2 335.411 1.923 20 30 EDEDLO CON=C(C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1csc(N)n1 ZINC000823280082 594179574 /nfs/dbraw/zinc/17/95/74/594179574.db2.gz YAHIJCCBNXCBGP-NSHDSACASA-N 1 2 348.432 1.419 20 30 EDEDLO C#CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000829768953 594259640 /nfs/dbraw/zinc/25/96/40/594259640.db2.gz MCCOWSVQPZBTNH-OAGGEKHMSA-N 1 2 340.489 1.146 20 30 EDEDLO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC000829768953 594259641 /nfs/dbraw/zinc/25/96/41/594259641.db2.gz MCCOWSVQPZBTNH-OAGGEKHMSA-N 1 2 340.489 1.146 20 30 EDEDLO C#CC1CC[NH+]([C@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000830316507 594374378 /nfs/dbraw/zinc/37/43/78/594374378.db2.gz VNCBMVZSTFHMQH-GDBMZVCRSA-N 1 2 340.489 1.146 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C#Cc2cccs2)CC1 ZINC000827008976 594622453 /nfs/dbraw/zinc/62/24/53/594622453.db2.gz JFUBZAVRZCAHHW-OAHLLOKOSA-N 1 2 345.468 1.255 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000831687414 594692588 /nfs/dbraw/zinc/69/25/88/594692588.db2.gz PYNLMMCFLPKNCJ-SOUVJXGZSA-N 1 2 335.448 1.658 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000831687892 594692803 /nfs/dbraw/zinc/69/28/03/594692803.db2.gz YZEIRWVTRCRWQV-AWEZNQCLSA-N 1 2 329.400 1.817 20 30 EDEDLO Cc1ccc(-c2nnc(CON=C(N)C[NH+]3CCSCC3)o2)cc1 ZINC000121504156 594884983 /nfs/dbraw/zinc/88/49/83/594884983.db2.gz DRUVHXFFUGSXCO-UHFFFAOYSA-N 1 2 347.444 1.883 20 30 EDEDLO CCn1nncc1/C=C/C(=O)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000841486997 594907660 /nfs/dbraw/zinc/90/76/60/594907660.db2.gz HWUGQSNNPXYIII-GQCTYLIASA-N 1 2 342.399 1.732 20 30 EDEDLO CC(C)[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)N1CCCC1 ZINC000842034960 595006313 /nfs/dbraw/zinc/00/63/13/595006313.db2.gz GFBBWSSDOMYPFW-MRXNPFEDSA-N 1 2 331.416 1.905 20 30 EDEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4ccnc(F)c4)CC3)cnc12 ZINC000843410982 595104156 /nfs/dbraw/zinc/10/41/56/595104156.db2.gz HVVDXEFREVCQBA-UHFFFAOYSA-N 1 2 337.362 1.457 20 30 EDEDLO N#Cc1cccn(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1=O ZINC000842635276 595152337 /nfs/dbraw/zinc/15/23/37/595152337.db2.gz MRYIOMCQCJITLK-KRWDZBQOSA-N 1 2 336.395 1.316 20 30 EDEDLO N#Cc1cccn(C[N@@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1=O ZINC000842635276 595152339 /nfs/dbraw/zinc/15/23/39/595152339.db2.gz MRYIOMCQCJITLK-KRWDZBQOSA-N 1 2 336.395 1.316 20 30 EDEDLO N#Cc1cccc(NC(=O)CO[NH+]=C(N)COC[C@@H]2CCCO2)c1 ZINC000842654644 595158550 /nfs/dbraw/zinc/15/85/50/595158550.db2.gz AXAKQBNMRYXEDW-AWEZNQCLSA-N 1 2 332.360 1.191 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367265 595330894 /nfs/dbraw/zinc/33/08/94/595330894.db2.gz NECIAGJHLNVMTQ-INIZCTEOSA-N 1 2 341.415 1.513 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367265 595330897 /nfs/dbraw/zinc/33/08/97/595330897.db2.gz NECIAGJHLNVMTQ-INIZCTEOSA-N 1 2 341.415 1.513 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)nn1 ZINC000846921007 595337812 /nfs/dbraw/zinc/33/78/12/595337812.db2.gz NDURVMQVPHGYBZ-UHFFFAOYSA-N 1 2 335.415 1.993 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CCc3c(nnn3-c3ccccc3)C2)nn1 ZINC000846921007 595337814 /nfs/dbraw/zinc/33/78/14/595337814.db2.gz NDURVMQVPHGYBZ-UHFFFAOYSA-N 1 2 335.415 1.993 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@]3(CC3(F)F)C2)nc1 ZINC000844444941 595344202 /nfs/dbraw/zinc/34/42/02/595344202.db2.gz VVQWKCXKAAHSLL-AWEZNQCLSA-N 1 2 341.383 1.848 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@]3(CC3(F)F)C2)nc1 ZINC000844444941 595344203 /nfs/dbraw/zinc/34/42/03/595344203.db2.gz VVQWKCXKAAHSLL-AWEZNQCLSA-N 1 2 341.383 1.848 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc(OC)c2F)CC1 ZINC000848430249 595377925 /nfs/dbraw/zinc/37/79/25/595377925.db2.gz IYDVONIFJWOTPV-UHFFFAOYSA-N 1 2 326.393 1.164 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cnn3c2nccc3-c2ccccc2)CC1 ZINC000112920029 595563511 /nfs/dbraw/zinc/56/35/11/595563511.db2.gz FETDGHOEOKSBDG-UHFFFAOYSA-N 1 2 345.406 1.787 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000855304179 595668219 /nfs/dbraw/zinc/66/82/19/595668219.db2.gz GGEVMLYFIDKJCZ-IFXJQAMLSA-N 1 2 335.411 1.994 20 30 EDEDLO N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000855304179 595668223 /nfs/dbraw/zinc/66/82/23/595668223.db2.gz GGEVMLYFIDKJCZ-IFXJQAMLSA-N 1 2 335.411 1.994 20 30 EDEDLO C#Cc1cccnc1N1CC[NH+](CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000853301594 595731847 /nfs/dbraw/zinc/73/18/47/595731847.db2.gz JBVMSKDXMCKAJT-FUHWJXTLSA-N 1 2 340.471 1.880 20 30 EDEDLO CN(C)c1nccc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000853311191 595733103 /nfs/dbraw/zinc/73/31/03/595733103.db2.gz ZOCVQYLFXBBDAW-UHFFFAOYSA-N 1 2 340.431 1.950 20 30 EDEDLO C=CCCn1cc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)nn1 ZINC000850134672 595750017 /nfs/dbraw/zinc/75/00/17/595750017.db2.gz FVJQATONVPVWMH-ZDUSSCGKSA-N 1 2 344.341 1.127 20 30 EDEDLO C#CC[C@H](COC)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000858285165 595753351 /nfs/dbraw/zinc/75/33/51/595753351.db2.gz HTILFBSCTWHBFY-IUODEOHRSA-N 1 2 339.386 1.905 20 30 EDEDLO C=C(Br)CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000853503141 595772541 /nfs/dbraw/zinc/77/25/41/595772541.db2.gz DMIHJNNKEWMNMY-UHFFFAOYSA-N 1 2 346.269 1.649 20 30 EDEDLO NC(=[NH+]OC[C@H]1COCCO1)c1ccc(OCc2cccnc2)cc1 ZINC000853660003 595848815 /nfs/dbraw/zinc/84/88/15/595848815.db2.gz YRQRYHRYQFQCHH-QGZVFWFLSA-N 1 2 343.383 1.713 20 30 EDEDLO Cc1cc(N[C@@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c[nH+]1 ZINC000853819487 595890754 /nfs/dbraw/zinc/89/07/54/595890754.db2.gz SLMOAHIZNOXHRO-AWEZNQCLSA-N 1 2 344.415 1.874 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC000851873977 595957622 /nfs/dbraw/zinc/95/76/22/595957622.db2.gz WHWKVKNVEIWONH-UHFFFAOYSA-N 1 2 349.500 1.569 20 30 EDEDLO C#Cc1ccc(CNC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)cc1 ZINC000854101145 595975949 /nfs/dbraw/zinc/97/59/49/595975949.db2.gz OJAZNHOKCXPLPD-INIZCTEOSA-N 1 2 340.427 1.960 20 30 EDEDLO C#Cc1cccc(CNC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)c1 ZINC000854122615 595981344 /nfs/dbraw/zinc/98/13/44/595981344.db2.gz RDWAVIJVWTXHGT-INIZCTEOSA-N 1 2 340.427 1.960 20 30 EDEDLO CC1CC(C#N)(C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)C1 ZINC000856611457 596034756 /nfs/dbraw/zinc/03/47/56/596034756.db2.gz KQNVSRUBJYILIV-VTPHYOBMSA-N 1 2 326.400 1.303 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(Nc3nccc(C)n3)c2)CC1 ZINC000859357503 596062956 /nfs/dbraw/zinc/06/29/56/596062956.db2.gz QKZKCBUMXSOKQM-UHFFFAOYSA-N 1 2 335.411 1.920 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(C)n([C@@H]3CCCOC3)c2C)CC1 ZINC000859357898 596063325 /nfs/dbraw/zinc/06/33/25/596063325.db2.gz ZHMIPVJOPCZTNU-QGZVFWFLSA-N 1 2 329.444 1.847 20 30 EDEDLO C#C[C@](C)(CC)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000854698583 596164636 /nfs/dbraw/zinc/16/46/36/596164636.db2.gz BUGBLQABMWYCGG-LJQANCHMSA-N 1 2 342.443 1.429 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CCOCC1 ZINC000852649274 596219171 /nfs/dbraw/zinc/21/91/71/596219171.db2.gz ZRNTZQGIVSOUOQ-GOSISDBHSA-N 1 2 342.443 1.337 20 30 EDEDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc(C#N)ccc2F)CC1 ZINC000854890553 596224906 /nfs/dbraw/zinc/22/49/06/596224906.db2.gz KAROFPLFZUAOGR-UHFFFAOYSA-N 1 2 332.423 1.843 20 30 EDEDLO CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000862458773 596332788 /nfs/dbraw/zinc/33/27/88/596332788.db2.gz IZOMWKXXQNQWCH-XJKSGUPXSA-N 1 2 332.404 1.107 20 30 EDEDLO CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000862458773 596332790 /nfs/dbraw/zinc/33/27/90/596332790.db2.gz IZOMWKXXQNQWCH-XJKSGUPXSA-N 1 2 332.404 1.107 20 30 EDEDLO N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000869187574 596439182 /nfs/dbraw/zinc/43/91/82/596439182.db2.gz QCYZFRJMJIUVQC-GOSISDBHSA-N 1 2 347.422 1.952 20 30 EDEDLO C#CCCCS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@H]2C1 ZINC000867627194 596467869 /nfs/dbraw/zinc/46/78/69/596467869.db2.gz UWUXEAVIEBTVRP-JKSUJKDBSA-N 1 2 349.456 1.234 20 30 EDEDLO N#CCc1ccccc1CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871218254 596500514 /nfs/dbraw/zinc/50/05/14/596500514.db2.gz KUBBZMHGLBYXOQ-UHFFFAOYSA-N 1 2 349.438 1.472 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000865202526 596514525 /nfs/dbraw/zinc/51/45/25/596514525.db2.gz LWJVBKZYEGCAOF-CYBMUJFWSA-N 1 2 325.416 1.405 20 30 EDEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cn1ccc(C)c(C#N)c1=O ZINC000863294224 596541054 /nfs/dbraw/zinc/54/10/54/596541054.db2.gz TYZDXWYFRWCXON-UHFFFAOYSA-N 1 2 334.420 1.833 20 30 EDEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cn1ccc(C)c(C#N)c1=O ZINC000863294224 596541056 /nfs/dbraw/zinc/54/10/56/596541056.db2.gz TYZDXWYFRWCXON-UHFFFAOYSA-N 1 2 334.420 1.833 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc(OC(C)=O)cc2)CC1 ZINC000122659164 596565086 /nfs/dbraw/zinc/56/50/86/596565086.db2.gz SCZVKLYMFRASSE-UHFFFAOYSA-N 1 2 331.416 1.032 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(OC(C)=O)cc2)CC1 ZINC000122659164 596565088 /nfs/dbraw/zinc/56/50/88/596565088.db2.gz SCZVKLYMFRASSE-UHFFFAOYSA-N 1 2 331.416 1.032 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)nc1 ZINC000863499111 596600776 /nfs/dbraw/zinc/60/07/76/596600776.db2.gz WZGAQMYTEMDMAY-QGZVFWFLSA-N 1 2 336.395 1.089 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)nc1 ZINC000863499111 596600779 /nfs/dbraw/zinc/60/07/79/596600779.db2.gz WZGAQMYTEMDMAY-QGZVFWFLSA-N 1 2 336.395 1.089 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871543885 596622434 /nfs/dbraw/zinc/62/24/34/596622434.db2.gz WYWOFRUWFGNCSA-QGZVFWFLSA-N 1 2 326.437 1.236 20 30 EDEDLO C=C(Cl)C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(=O)OCC ZINC000870035880 596719465 /nfs/dbraw/zinc/71/94/65/596719465.db2.gz VNRTZMBRCOEIRT-CYBMUJFWSA-N 1 2 339.823 1.952 20 30 EDEDLO N#CC1(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)CCCCC1 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C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2[C@@H](C)C(=O)NC2CC2)cc1 ZINC001038581587 697132070 /nfs/dbraw/zinc/13/20/70/697132070.db2.gz LEBAGVJIUQAKFZ-GUYCJALGSA-N 1 2 325.412 1.139 20 30 EDEDLO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](C)C(=O)NC2CC2)cc1 ZINC001038581587 697132071 /nfs/dbraw/zinc/13/20/71/697132071.db2.gz LEBAGVJIUQAKFZ-GUYCJALGSA-N 1 2 325.412 1.139 20 30 EDEDLO Cc1nn(C)cc1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031585898 697281378 /nfs/dbraw/zinc/28/13/78/697281378.db2.gz ONWSPYDDEARTSB-UHFFFAOYSA-N 1 2 341.390 1.601 20 30 EDEDLO Cc1[nH]nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)c1C ZINC001031588993 697286314 /nfs/dbraw/zinc/28/63/14/697286314.db2.gz DWNXOENMZKZDAI-UHFFFAOYSA-N 1 2 341.390 1.899 20 30 EDEDLO C=C1CCC(C(=O)N2CC(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000994612269 697311509 /nfs/dbraw/zinc/31/15/09/697311509.db2.gz KZABQZISTPPXCQ-OAHLLOKOSA-N 1 2 342.443 1.519 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)cc1 ZINC000994628505 697347256 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N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2cc3n(n2)CCCC3)C1 ZINC001031754796 698985368 /nfs/dbraw/zinc/98/53/68/698985368.db2.gz PYKVPLHPSDAABF-UHFFFAOYSA-N 1 2 349.438 1.953 20 30 EDEDLO C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc(CCC)[nH]n3)CC2)C1 ZINC000941512530 701565800 /nfs/dbraw/zinc/56/58/00/701565800.db2.gz MKGTYQONDFGLQZ-UHFFFAOYSA-N 1 2 331.464 1.380 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cnsn3)C2)c1 ZINC000939108639 699176257 /nfs/dbraw/zinc/17/62/57/699176257.db2.gz RJYYPZNXVXFMIS-XHDPSFHLSA-N 1 2 327.413 1.165 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)C1 ZINC000941578014 701587845 /nfs/dbraw/zinc/58/78/45/701587845.db2.gz ACFKBBDXEXNLPM-IAGOWNOFSA-N 1 2 327.428 1.235 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(F)c3Cl)CC2)C1 ZINC000941582146 701589369 /nfs/dbraw/zinc/58/93/69/701589369.db2.gz ISRBXPCTVMTZHL-UHFFFAOYSA-N 1 2 335.810 1.554 20 30 EDEDLO C[C@H]1COCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001031961557 701589946 /nfs/dbraw/zinc/58/99/46/701589946.db2.gz WFHQUMRNWPQTJH-SUMWQHHRSA-N 1 2 345.418 1.918 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)Cc3ccccc3)CC2)C1 ZINC000941587260 701591155 /nfs/dbraw/zinc/59/11/55/701591155.db2.gz NRSNLQXEASHEDR-IBGZPJMESA-N 1 2 339.483 1.717 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3cc(C)oc3C)CC2)C1 ZINC000941607378 701594872 /nfs/dbraw/zinc/59/48/72/701594872.db2.gz MFEJRXWOWRPSOA-MRXNPFEDSA-N 1 2 343.471 1.852 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCOc4ccccc43)CC2)C1 ZINC000941604295 701593781 /nfs/dbraw/zinc/59/37/81/701593781.db2.gz UWVALJOSBPIGFX-SFHVURJKSA-N 1 2 339.439 1.014 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)CC2)C1 ZINC000941596484 701598223 /nfs/dbraw/zinc/59/82/23/701598223.db2.gz IIAJEPKAACDTHJ-QHAWAJNXSA-N 1 2 349.478 1.424 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3scnc3C(C)C)CC2)C1 ZINC000941596899 701598394 /nfs/dbraw/zinc/59/83/94/701598394.db2.gz RVQMVYJUBBPXGJ-UHFFFAOYSA-N 1 2 346.500 1.732 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cn(CCCC)nc3C)CC2)C1 ZINC000941632498 701600646 /nfs/dbraw/zinc/60/06/46/701600646.db2.gz IIRQUJNJGAURHM-UHFFFAOYSA-N 1 2 343.475 1.067 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cnc3sccn3c2=O)C1 ZINC001031825549 699636549 /nfs/dbraw/zinc/63/65/49/699636549.db2.gz OJVGAVYXQILZCT-UHFFFAOYSA-N 1 2 338.820 1.170 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCN(C3C[NH+](C[C@@H](F)CC)C3)CC2)cn1 ZINC000941642009 701608939 /nfs/dbraw/zinc/60/89/39/701608939.db2.gz JRAXIZQQVFZUMF-INIZCTEOSA-N 1 2 344.434 1.253 20 30 EDEDLO COc1cnc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)nc1 ZINC001031833755 699746256 /nfs/dbraw/zinc/74/62/56/699746256.db2.gz DOYKPIVDSARVCJ-UHFFFAOYSA-N 1 2 336.395 1.199 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3cccc(OC)c3)CC2)C1 ZINC000941674788 701614720 /nfs/dbraw/zinc/61/47/20/701614720.db2.gz LJGSKEVLECKNEM-MRXNPFEDSA-N 1 2 341.455 1.260 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3ccccc3)CC2)C1 ZINC000941675019 701614767 /nfs/dbraw/zinc/61/47/67/701614767.db2.gz QIGCWGMLVXZQLH-QGZVFWFLSA-N 1 2 325.456 1.327 20 30 EDEDLO Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)n1 ZINC000940658750 700820386 /nfs/dbraw/zinc/82/03/86/700820386.db2.gz RMRVQMDPIGEJLX-CQSZACIVSA-N 1 2 342.403 1.608 20 30 EDEDLO Cc1noc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C(C)(C)C2)n1 ZINC000940658750 700820388 /nfs/dbraw/zinc/82/03/88/700820388.db2.gz RMRVQMDPIGEJLX-CQSZACIVSA-N 1 2 342.403 1.608 20 30 EDEDLO C=C(C)C[N@@H+](C)Cn1c2ccc(S(=O)(=O)N(C)C)cc2oc1=O ZINC000182614754 700920201 /nfs/dbraw/zinc/92/02/01/700920201.db2.gz NLSGXMWKYBLESS-UHFFFAOYSA-N 1 2 339.417 1.310 20 30 EDEDLO C=C(C)C[N@H+](C)Cn1c2ccc(S(=O)(=O)N(C)C)cc2oc1=O ZINC000182614754 700920203 /nfs/dbraw/zinc/92/02/03/700920203.db2.gz NLSGXMWKYBLESS-UHFFFAOYSA-N 1 2 339.417 1.310 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCn2cccn2)s1 ZINC001032282775 701345217 /nfs/dbraw/zinc/34/52/17/701345217.db2.gz BGCVRDCQQFBEIA-KBPBESRZSA-N 1 2 341.440 1.692 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCn2cccn2)s1 ZINC001032282775 701345218 /nfs/dbraw/zinc/34/52/18/701345218.db2.gz BGCVRDCQQFBEIA-KBPBESRZSA-N 1 2 341.440 1.692 20 30 EDEDLO CC(F)(F)C(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941279614 701441303 /nfs/dbraw/zinc/44/13/03/701441303.db2.gz VUGIRIJRJFYMJQ-UHFFFAOYSA-N 1 2 348.397 1.542 20 30 EDEDLO C/C=C(/C)C(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941367744 701493499 /nfs/dbraw/zinc/49/34/99/701493499.db2.gz IRQHDUFZECJYQG-XFQLMFQHSA-N 1 2 338.455 1.853 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccnn3CC(C)C)CC2)C1 ZINC000941427386 701526235 /nfs/dbraw/zinc/52/62/35/701526235.db2.gz ZBNDCQWHJDIGLW-UHFFFAOYSA-N 1 2 343.475 1.004 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)n([C@H](C)CC)n3)CC2)C1 ZINC000941467765 701549087 /nfs/dbraw/zinc/54/90/87/701549087.db2.gz JCTBQYZZKZCENF-OAHLLOKOSA-N 1 2 343.475 1.238 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(CNC(=O)c3cc(C(N)=O)co3)C2)s1 ZINC001031970658 701701825 /nfs/dbraw/zinc/70/18/25/701701825.db2.gz BOQIATYVSFIBOO-UHFFFAOYSA-N 1 2 344.396 1.173 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC000944392037 701875755 /nfs/dbraw/zinc/87/57/55/701875755.db2.gz AHMIWXGPDNDBSX-AWEZNQCLSA-N 1 2 343.431 1.343 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC000944392037 701875763 /nfs/dbraw/zinc/87/57/63/701875763.db2.gz AHMIWXGPDNDBSX-AWEZNQCLSA-N 1 2 343.431 1.343 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC000944416010 701888569 /nfs/dbraw/zinc/88/85/69/701888569.db2.gz IQRLWYYRUPGAOX-AWEZNQCLSA-N 1 2 343.431 1.343 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC000944416010 701888575 /nfs/dbraw/zinc/88/85/75/701888575.db2.gz IQRLWYYRUPGAOX-AWEZNQCLSA-N 1 2 343.431 1.343 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3snnc3C)C2)cn1 ZINC001032138213 701905018 /nfs/dbraw/zinc/90/50/18/701905018.db2.gz QNLNHEFRRIXTDX-UHFFFAOYSA-N 1 2 327.413 1.085 20 30 EDEDLO CCn1ncnc1C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1 ZINC000941961932 702245757 /nfs/dbraw/zinc/24/57/57/702245757.db2.gz BIKNLWPOVUYQTC-IUODEOHRSA-N 1 2 341.419 1.138 20 30 EDEDLO CCn1ncnc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H](C)C1 ZINC000941961932 702245761 /nfs/dbraw/zinc/24/57/61/702245761.db2.gz BIKNLWPOVUYQTC-IUODEOHRSA-N 1 2 341.419 1.138 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2ccnnc2)C1 ZINC001032003688 702728177 /nfs/dbraw/zinc/72/81/77/702728177.db2.gz FCDBCWGDBCQILU-UHFFFAOYSA-N 1 2 337.383 1.219 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC1 ZINC000942600881 703116847 /nfs/dbraw/zinc/11/68/47/703116847.db2.gz WJJUHXTVMKHXON-UKRRQHHQSA-N 1 2 347.463 1.181 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]2C)CC1 ZINC000942600881 703116848 /nfs/dbraw/zinc/11/68/48/703116848.db2.gz WJJUHXTVMKHXON-UKRRQHHQSA-N 1 2 347.463 1.181 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3nccn3C)C[C@H]2C)c1 ZINC000942617843 703131444 /nfs/dbraw/zinc/13/14/44/703131444.db2.gz SFIJNSZJRMQOFM-RHSMWYFYSA-N 1 2 337.427 1.437 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)C[C@H]2C)c1 ZINC000942617843 703131447 /nfs/dbraw/zinc/13/14/47/703131447.db2.gz SFIJNSZJRMQOFM-RHSMWYFYSA-N 1 2 337.427 1.437 20 30 EDEDLO Cc1noc(C[NH+]2CCC([C@@H](C)NC(=O)c3ccc(C#N)[nH]3)CC2)n1 ZINC000997022019 703283474 /nfs/dbraw/zinc/28/34/74/703283474.db2.gz IWJQWFPHUXUWDH-LLVKDONJSA-N 1 2 342.403 1.608 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(OC)c1ccccc1F ZINC001032440444 703610624 /nfs/dbraw/zinc/61/06/24/703610624.db2.gz XQKQGFRQRNDNDG-DOXZYTNZSA-N 1 2 330.403 1.996 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(OC)c1ccccc1F ZINC001032440444 703610626 /nfs/dbraw/zinc/61/06/26/703610626.db2.gz XQKQGFRQRNDNDG-DOXZYTNZSA-N 1 2 330.403 1.996 20 30 EDEDLO COc1nccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)n1 ZINC001032513601 703905323 /nfs/dbraw/zinc/90/53/23/703905323.db2.gz RCRHOEIKYKEIRV-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO COc1nccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)n1 ZINC001032513601 703905324 /nfs/dbraw/zinc/90/53/24/703905324.db2.gz RCRHOEIKYKEIRV-HOTGVXAUSA-N 1 2 349.394 1.456 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H]3COCC[N@H+]3CCCC)C2)C1 ZINC000999290094 706785198 /nfs/dbraw/zinc/78/51/98/706785198.db2.gz HGLVVFPTNMRVOE-MRXNPFEDSA-N 1 2 349.475 1.171 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H]3COCC[N@@H+]3CCCC)C2)C1 ZINC000999290094 706785201 /nfs/dbraw/zinc/78/52/01/706785201.db2.gz HGLVVFPTNMRVOE-MRXNPFEDSA-N 1 2 349.475 1.171 20 30 EDEDLO COc1cc(CCC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)on1 ZINC001004445219 704427694 /nfs/dbraw/zinc/42/76/94/704427694.db2.gz FWIYAITTWWIQEA-INIZCTEOSA-N 1 2 346.431 1.842 20 30 EDEDLO COc1cc(CCC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)on1 ZINC001004445219 704427696 /nfs/dbraw/zinc/42/76/96/704427696.db2.gz FWIYAITTWWIQEA-INIZCTEOSA-N 1 2 346.431 1.842 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C(C)(C)C1 ZINC000995585994 704550776 /nfs/dbraw/zinc/55/07/76/704550776.db2.gz WOOXNEMEZCRGOO-NWDGAFQWSA-N 1 2 333.436 1.853 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)c1cccc(OC)c1 ZINC001032539990 704593560 /nfs/dbraw/zinc/59/35/60/704593560.db2.gz MHKJSAHKXDELJL-BQFCYCMXSA-N 1 2 328.412 1.691 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](OC)c1cccc(OC)c1 ZINC001032539990 704593562 /nfs/dbraw/zinc/59/35/62/704593562.db2.gz MHKJSAHKXDELJL-BQFCYCMXSA-N 1 2 328.412 1.691 20 30 EDEDLO Cc1nonc1C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001032224924 704778123 /nfs/dbraw/zinc/77/81/23/704778123.db2.gz SMENBZRCNNZCCS-UHFFFAOYSA-N 1 2 344.802 1.745 20 30 EDEDLO CCc1noc(C[NH2+][C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)CC2(C)C)n1 ZINC000995663051 704908858 /nfs/dbraw/zinc/90/88/58/704908858.db2.gz DGWZXVNNIPKNBH-CYBMUJFWSA-N 1 2 342.403 1.472 20 30 EDEDLO C[C@@H]([NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC1(C)C)c1csnn1 ZINC000995689175 705528424 /nfs/dbraw/zinc/52/84/24/705528424.db2.gz NIGWZJWEUSAWIO-YGRLFVJLSA-N 1 2 344.444 1.939 20 30 EDEDLO N#CCN[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998267188 705641048 /nfs/dbraw/zinc/64/10/48/705641048.db2.gz LWKYVBJXMWUPFI-NWDGAFQWSA-N 1 2 329.326 1.235 20 30 EDEDLO N#CCN[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC000998267188 705641051 /nfs/dbraw/zinc/64/10/51/705641051.db2.gz LWKYVBJXMWUPFI-NWDGAFQWSA-N 1 2 329.326 1.235 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCc2cn[nH]n2)cc1 ZINC001032636313 705990814 /nfs/dbraw/zinc/99/08/14/705990814.db2.gz CASVAKVYDFJDPP-IRXDYDNUSA-N 1 2 336.399 1.094 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCc2cn[nH]n2)cc1 ZINC001032636313 705990817 /nfs/dbraw/zinc/99/08/17/705990817.db2.gz CASVAKVYDFJDPP-IRXDYDNUSA-N 1 2 336.399 1.094 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnns3)[C@@H](C)C2)nc1 ZINC000947947873 706103070 /nfs/dbraw/zinc/10/30/70/706103070.db2.gz JWMYCJVFUCEKGB-GXTWGEPZSA-N 1 2 341.440 1.697 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnns3)[C@@H](C)C2)nc1 ZINC000947947873 706103072 /nfs/dbraw/zinc/10/30/72/706103072.db2.gz JWMYCJVFUCEKGB-GXTWGEPZSA-N 1 2 341.440 1.697 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCCC3)no2)C1 ZINC000998757254 706192241 /nfs/dbraw/zinc/19/22/41/706192241.db2.gz WPHDDAULZDIXKJ-TZMCWYRMSA-N 1 2 331.420 1.967 20 30 EDEDLO C=C1CCC(C(=O)NC2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC000999107880 706536013 /nfs/dbraw/zinc/53/60/13/706536013.db2.gz KEFABAGDUGJQNF-CQSZACIVSA-N 1 2 330.432 1.908 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)c1 ZINC000999316854 706824962 /nfs/dbraw/zinc/82/49/62/706824962.db2.gz KZZZCVAKHHGOFH-UHFFFAOYSA-N 1 2 345.362 1.194 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001061617494 707250482 /nfs/dbraw/zinc/25/04/82/707250482.db2.gz IGYNAMOVBRSDSM-HOCLYGCPSA-N 1 2 348.447 1.288 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001061617494 707250488 /nfs/dbraw/zinc/25/04/88/707250488.db2.gz IGYNAMOVBRSDSM-HOCLYGCPSA-N 1 2 348.447 1.288 20 30 EDEDLO CN(C(=O)c1csnn1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033312381 707469166 /nfs/dbraw/zinc/46/91/66/707469166.db2.gz PCKOMUPYAUFIRU-CYBMUJFWSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1csnn1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033312381 707469168 /nfs/dbraw/zinc/46/91/68/707469168.db2.gz PCKOMUPYAUFIRU-CYBMUJFWSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1n[nH]cc1F)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033396419 707735277 /nfs/dbraw/zinc/73/52/77/707735277.db2.gz NXNQOFKIAKFLJA-OAHLLOKOSA-N 1 2 344.365 1.886 20 30 EDEDLO CN(C(=O)c1n[nH]cc1F)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033396419 707735281 /nfs/dbraw/zinc/73/52/81/707735281.db2.gz NXNQOFKIAKFLJA-OAHLLOKOSA-N 1 2 344.365 1.886 20 30 EDEDLO O=C(Cn1ccccc1=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032774520 707937920 /nfs/dbraw/zinc/93/79/20/707937920.db2.gz IOZWKDWRFFZOIV-OALUTQOASA-N 1 2 347.418 1.185 20 30 EDEDLO O=C(Cn1ccccc1=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032774520 707937922 /nfs/dbraw/zinc/93/79/22/707937922.db2.gz IOZWKDWRFFZOIV-OALUTQOASA-N 1 2 347.418 1.185 20 30 EDEDLO N#Cc1nccnc1NC[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001060944673 708011536 /nfs/dbraw/zinc/01/15/36/708011536.db2.gz UQYKBFBUMHAPEB-ZDUSSCGKSA-N 1 2 347.382 1.570 20 30 EDEDLO CN(C(=O)c1ncccn1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033527543 708145576 /nfs/dbraw/zinc/14/55/76/708145576.db2.gz VRYRCZFJSAKPAK-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO CN(C(=O)c1ncccn1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033527543 708145578 /nfs/dbraw/zinc/14/55/78/708145578.db2.gz VRYRCZFJSAKPAK-OAHLLOKOSA-N 1 2 339.374 1.834 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CNc2nccnc2C#N)C1 ZINC001061004193 708149015 /nfs/dbraw/zinc/14/90/15/708149015.db2.gz HIHWPSSQMLLCST-STQMWFEESA-N 1 2 339.403 1.211 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CNc2nccnc2C#N)C1 ZINC001061004193 708149019 /nfs/dbraw/zinc/14/90/19/708149019.db2.gz HIHWPSSQMLLCST-STQMWFEESA-N 1 2 339.403 1.211 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001033683056 708494547 /nfs/dbraw/zinc/49/45/47/708494547.db2.gz SFKFSUDMPSWZBC-HZPDHXFCSA-N 1 2 341.883 1.382 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCOCC2)C1 ZINC001033683056 708494551 /nfs/dbraw/zinc/49/45/51/708494551.db2.gz SFKFSUDMPSWZBC-HZPDHXFCSA-N 1 2 341.883 1.382 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033705216 708534587 /nfs/dbraw/zinc/53/45/87/708534587.db2.gz FTVDRFGSFHRWSV-AWEZNQCLSA-N 1 2 343.362 1.735 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033705216 708534590 /nfs/dbraw/zinc/53/45/90/708534590.db2.gz FTVDRFGSFHRWSV-AWEZNQCLSA-N 1 2 343.362 1.735 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2CC[NH+](Cc3nnc(C)o3)CC2)nc1 ZINC001002058701 708590854 /nfs/dbraw/zinc/59/08/54/708590854.db2.gz ZIAFQYIPEUKWSD-UHFFFAOYSA-N 1 2 339.399 1.396 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001033805985 708810713 /nfs/dbraw/zinc/81/07/13/708810713.db2.gz KBIGJNKYNKQEJM-HNNXBMFYSA-N 1 2 341.419 1.234 20 30 EDEDLO CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001033805985 708810715 /nfs/dbraw/zinc/81/07/15/708810715.db2.gz KBIGJNKYNKQEJM-HNNXBMFYSA-N 1 2 341.419 1.234 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2OCC)CC1 ZINC001002394680 708903373 /nfs/dbraw/zinc/90/33/73/708903373.db2.gz CMHJSRSZQHIKMI-OLZOCXBDSA-N 1 2 331.254 1.901 20 30 EDEDLO CCn1nc(C)c(C[NH+]2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC001002550667 709098398 /nfs/dbraw/zinc/09/83/98/709098398.db2.gz HHRAGGJTYKLRBQ-UHFFFAOYSA-N 1 2 341.419 1.201 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(N(C)C)nn2)C1 ZINC001034011993 709225042 /nfs/dbraw/zinc/22/50/42/709225042.db2.gz BISSMLZRXBJROE-CYBMUJFWSA-N 1 2 337.855 1.832 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(N(C)C)nn2)C1 ZINC001034011993 709225046 /nfs/dbraw/zinc/22/50/46/709225046.db2.gz BISSMLZRXBJROE-CYBMUJFWSA-N 1 2 337.855 1.832 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2cnn(C)c2N)CC1 ZINC001002652223 709228668 /nfs/dbraw/zinc/22/86/68/709228668.db2.gz KJFFQWLKFMDBOU-UHFFFAOYSA-N 1 2 342.241 1.105 20 30 EDEDLO CC(C)(C)C#CC(=O)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001061144563 709381591 /nfs/dbraw/zinc/38/15/91/709381591.db2.gz AFHKIVOPDXSTPJ-UHFFFAOYSA-N 1 2 342.443 1.453 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001002782977 709388845 /nfs/dbraw/zinc/38/88/45/709388845.db2.gz UNDDUBWGKZTHCO-OAHLLOKOSA-N 1 2 342.443 1.376 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000922048465 709472991 /nfs/dbraw/zinc/47/29/91/709472991.db2.gz YVAPRFPNLWSXAH-CVEARBPZSA-N 1 2 328.416 1.848 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@]23C[C@H]2COC3)CC1 ZINC001002867003 709476081 /nfs/dbraw/zinc/47/60/81/709476081.db2.gz XJIGHODVNDNREB-FZMZJTMJSA-N 1 2 329.238 1.512 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001061735557 709579539 /nfs/dbraw/zinc/57/95/39/709579539.db2.gz SRGQEPBSTXQYKH-CVEARBPZSA-N 1 2 348.447 1.219 20 30 EDEDLO C=C[C@H](CC)CC(=O)N1CCOC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001061734749 709597889 /nfs/dbraw/zinc/59/78/89/709597889.db2.gz LUXMEFJFDKDFGK-HZPDHXFCSA-N 1 2 348.447 1.219 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)C2(F)CCOCC2)CC1 ZINC001002988166 709727218 /nfs/dbraw/zinc/72/72/18/709727218.db2.gz VWMNVUCXWITKSC-UHFFFAOYSA-N 1 2 349.244 1.994 20 30 EDEDLO C=CC(C)(C)C(=O)NCCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001058081788 709991293 /nfs/dbraw/zinc/99/12/93/709991293.db2.gz WZJDJGYREJWACG-UHFFFAOYSA-N 1 2 344.415 1.097 20 30 EDEDLO C=CCn1cc(C(=O)NC2CC[NH+](Cc3nc(C)cs3)CC2)nn1 ZINC001003758886 710531289 /nfs/dbraw/zinc/53/12/89/710531289.db2.gz FVDRBFHZPGTARW-UHFFFAOYSA-N 1 2 346.460 1.623 20 30 EDEDLO CN(C(=O)c1cc[n+]([O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001032893497 710639735 /nfs/dbraw/zinc/63/97/35/710639735.db2.gz ZVKKDFPUQQLHJB-GOSISDBHSA-N 1 2 336.395 1.538 20 30 EDEDLO CN(C(=O)c1cc[n+]([O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001032893497 710639739 /nfs/dbraw/zinc/63/97/39/710639739.db2.gz ZVKKDFPUQQLHJB-GOSISDBHSA-N 1 2 336.395 1.538 20 30 EDEDLO N#CCN[C@H]1CC[C@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001034700899 710804591 /nfs/dbraw/zinc/80/45/91/710804591.db2.gz LBOQAEHDABDNEF-BRWVUGGUSA-N 1 2 334.464 1.028 20 30 EDEDLO N#CCN[C@H]1CC[C@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001034700899 710804594 /nfs/dbraw/zinc/80/45/94/710804594.db2.gz LBOQAEHDABDNEF-BRWVUGGUSA-N 1 2 334.464 1.028 20 30 EDEDLO CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)n1 ZINC001034911913 711340184 /nfs/dbraw/zinc/34/01/84/711340184.db2.gz NNKQAKFMNPEHRL-CYBMUJFWSA-N 1 2 328.376 1.226 20 30 EDEDLO CCn1cc(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004599475 712043624 /nfs/dbraw/zinc/04/36/24/712043624.db2.gz BCHBGIQISRHRRA-QGZVFWFLSA-N 1 2 329.448 1.672 20 30 EDEDLO CCn1cc(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004599475 712043625 /nfs/dbraw/zinc/04/36/25/712043625.db2.gz BCHBGIQISRHRRA-QGZVFWFLSA-N 1 2 329.448 1.672 20 30 EDEDLO C=CCCn1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccn3)C2)nn1 ZINC001033485109 712605917 /nfs/dbraw/zinc/60/59/17/712605917.db2.gz WZDHZBPUIBIYFN-INIZCTEOSA-N 1 2 340.431 1.596 20 30 EDEDLO C=CCCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccn3)C2)nn1 ZINC001033485109 712605918 /nfs/dbraw/zinc/60/59/18/712605918.db2.gz WZDHZBPUIBIYFN-INIZCTEOSA-N 1 2 340.431 1.596 20 30 EDEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@@H]1CCCNC1=O ZINC000328734301 539358914 /nfs/dbraw/zinc/35/89/14/539358914.db2.gz JZZQADAAZLGECZ-CYBMUJFWSA-N 1 2 333.392 1.041 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCNC(=O)C3)c[nH+]2)C[C@@H](C)O1 ZINC000328878996 539374632 /nfs/dbraw/zinc/37/46/32/539374632.db2.gz UZFKGVWKMPSYPA-CHWSQXEVSA-N 1 2 347.419 1.381 20 30 EDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NC[C@@H]1COCCO1 ZINC000329094664 539406181 /nfs/dbraw/zinc/40/61/81/539406181.db2.gz BAKWRWRIDYHVIA-SNVBAGLBSA-N 1 2 336.314 1.207 20 30 EDEDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000108608468 530066628 /nfs/dbraw/zinc/06/66/28/530066628.db2.gz TUVJKCKTGPBITJ-UHFFFAOYSA-N 1 2 332.429 1.405 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)NC3(CCCCCCC3)C2=O)CC1 ZINC000044756463 213645672 /nfs/dbraw/zinc/64/56/72/213645672.db2.gz RPHNKUXGULOFOM-UHFFFAOYSA-N 1 2 332.448 1.230 20 30 EDEDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000066878739 215089637 /nfs/dbraw/zinc/08/96/37/215089637.db2.gz SKHLNUGRJMMGNT-UHFFFAOYSA-N 1 2 339.436 1.943 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000562254057 306293150 /nfs/dbraw/zinc/29/31/50/306293150.db2.gz SGSHVRFAJFQSIM-ZFWWWQNUSA-N 1 2 344.415 1.894 20 30 EDEDLO N#Cc1cnc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(Cl)c1 ZINC000562694138 306305511 /nfs/dbraw/zinc/30/55/11/306305511.db2.gz NVPKMPOHVZVKFB-CABCVRRESA-N 1 2 348.834 1.980 20 30 EDEDLO C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646749 138294061 /nfs/dbraw/zinc/29/40/61/138294061.db2.gz BLXJJFCGBFBBRS-HOTGVXAUSA-N 1 2 346.456 1.994 20 30 EDEDLO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646749 138294062 /nfs/dbraw/zinc/29/40/62/138294062.db2.gz BLXJJFCGBFBBRS-HOTGVXAUSA-N 1 2 346.456 1.994 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000177157874 283227246 /nfs/dbraw/zinc/22/72/46/283227246.db2.gz JAZCTFNXRFVDGT-GJZGRUSLSA-N 1 2 346.456 1.132 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H](N2CC[C@H]([NH+]3CCOCC3)C2)C1=O ZINC000177157874 283227247 /nfs/dbraw/zinc/22/72/47/283227247.db2.gz JAZCTFNXRFVDGT-GJZGRUSLSA-N 1 2 346.456 1.132 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)C1=O ZINC000177157874 283227240 /nfs/dbraw/zinc/22/72/40/283227240.db2.gz JAZCTFNXRFVDGT-GJZGRUSLSA-N 1 2 346.456 1.132 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCc2ccc(C#N)s2)CCN1C ZINC000563852598 306349760 /nfs/dbraw/zinc/34/97/60/306349760.db2.gz SSGLMFFNQHANEQ-CQSZACIVSA-N 1 2 344.444 1.552 20 30 EDEDLO N#C[C@H]1CN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCO1 ZINC000106330914 237083696 /nfs/dbraw/zinc/08/36/96/237083696.db2.gz OUJKOLGNVPDCFR-INIZCTEOSA-N 1 2 343.431 1.896 20 30 EDEDLO COc1cc[nH+]c(CN2CCN(c3ncccc3C#N)CC2)c1OC ZINC000190306299 238376949 /nfs/dbraw/zinc/37/69/49/238376949.db2.gz XEFPNZBKXATIEH-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000273986473 201263517 /nfs/dbraw/zinc/26/35/17/201263517.db2.gz VZHHZLSBFLPOTH-MRXNPFEDSA-N 1 2 347.463 1.216 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000278875856 201312029 /nfs/dbraw/zinc/31/20/29/201312029.db2.gz VUHNMFCDMADAPI-GUDVDZBRSA-N 1 2 344.455 1.845 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+](CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000096971573 201378269 /nfs/dbraw/zinc/37/82/69/201378269.db2.gz PUNUIKDIHZFBLI-OAHLLOKOSA-N 1 2 330.494 1.700 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+](CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000096971573 201378271 /nfs/dbraw/zinc/37/82/71/201378271.db2.gz PUNUIKDIHZFBLI-OAHLLOKOSA-N 1 2 330.494 1.700 20 30 EDEDLO CC(C)C(=O)NCC[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000157513043 205215685 /nfs/dbraw/zinc/21/56/85/205215685.db2.gz MODKMSAUPFSBJS-UHFFFAOYSA-N 1 2 330.432 1.637 20 30 EDEDLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000157513043 205215689 /nfs/dbraw/zinc/21/56/89/205215689.db2.gz MODKMSAUPFSBJS-UHFFFAOYSA-N 1 2 330.432 1.637 20 30 EDEDLO C=CCOc1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000157610858 205225854 /nfs/dbraw/zinc/22/58/54/205225854.db2.gz HUZJKQWKBKVECO-AWEZNQCLSA-N 1 2 325.430 1.879 20 30 EDEDLO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000157610858 205225856 /nfs/dbraw/zinc/22/58/56/205225856.db2.gz HUZJKQWKBKVECO-AWEZNQCLSA-N 1 2 325.430 1.879 20 30 EDEDLO CCOCCO[C@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000157760893 206153763 /nfs/dbraw/zinc/15/37/63/206153763.db2.gz ZFBAZGZQMNDGJV-GJZGRUSLSA-N 1 2 349.456 1.852 20 30 EDEDLO CCOCCO[C@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000157760893 206153767 /nfs/dbraw/zinc/15/37/67/206153767.db2.gz ZFBAZGZQMNDGJV-GJZGRUSLSA-N 1 2 349.456 1.852 20 30 EDEDLO C=C(C)[C@@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)OCC ZINC000270032495 249380719 /nfs/dbraw/zinc/38/07/19/249380719.db2.gz LYBRIOBOLIEWPH-MRXNPFEDSA-N 1 2 333.432 1.906 20 30 EDEDLO NC(COc1ccc(Cl)cc1Cl)=[NH+]OC[C@H]1CNC(=O)O1 ZINC000282385692 249533230 /nfs/dbraw/zinc/53/32/30/249533230.db2.gz ZJGBMHQGJDNCNO-MRVPVSSYSA-N 1 2 334.159 1.769 20 30 EDEDLO COCC1(C#N)CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000341982566 250004504 /nfs/dbraw/zinc/00/45/04/250004504.db2.gz AYXMSQNZDQHQFP-CYBMUJFWSA-N 1 2 345.399 1.994 20 30 EDEDLO N#CC1(F)CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000352310118 250079198 /nfs/dbraw/zinc/07/91/98/250079198.db2.gz 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1.653 20 30 EDEDLO C=CCn1cccc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000488886578 255058182 /nfs/dbraw/zinc/05/81/82/255058182.db2.gz XMATWOGPWWTZBV-UHFFFAOYSA-N 1 2 329.404 1.455 20 30 EDEDLO C=CCn1cccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000489072941 255063458 /nfs/dbraw/zinc/06/34/58/255063458.db2.gz KWUWFGDDLAXWAC-KRWDZBQOSA-N 1 2 335.473 1.612 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ccsc2)CC1 ZINC000490618015 255095651 /nfs/dbraw/zinc/09/56/51/255095651.db2.gz UAMREUQBLPKKIK-PLNGDYQASA-N 1 2 331.441 1.045 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ccsc2)CC1 ZINC000490618015 255095653 /nfs/dbraw/zinc/09/56/53/255095653.db2.gz UAMREUQBLPKKIK-PLNGDYQASA-N 1 2 331.441 1.045 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000490691142 255100438 /nfs/dbraw/zinc/10/04/38/255100438.db2.gz UWJSXHMLSTXSLX-CQSZACIVSA-N 1 2 347.846 1.165 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CS[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000490742336 255104602 /nfs/dbraw/zinc/10/46/02/255104602.db2.gz ZISGFMZATJKFDE-ZDUSSCGKSA-N 1 2 326.462 1.227 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(NC(=O)OCC)cc2)CC1 ZINC000490760048 255105181 /nfs/dbraw/zinc/10/51/81/255105181.db2.gz JDDSYVXZTUHTRM-UHFFFAOYSA-N 1 2 345.399 1.411 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000493963727 255228587 /nfs/dbraw/zinc/22/85/87/255228587.db2.gz PTSPDFZZPSWZQM-AWEZNQCLSA-N 1 2 349.435 1.241 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000493963727 255228588 /nfs/dbraw/zinc/22/85/88/255228588.db2.gz PTSPDFZZPSWZQM-AWEZNQCLSA-N 1 2 349.435 1.241 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC3(COC(=O)N3)CC2)C1=O ZINC000495249287 255275448 /nfs/dbraw/zinc/27/54/48/255275448.db2.gz DKILIHOQZNAPJF-GFCCVEGCSA-N 1 2 346.412 1.299 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495251887 255275683 /nfs/dbraw/zinc/27/56/83/255275683.db2.gz LSYYYBVZIUQHKG-UHFFFAOYSA-N 1 2 348.790 1.725 20 30 EDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000494701902 255258844 /nfs/dbraw/zinc/25/88/44/255258844.db2.gz HQSCFOOVIQVAAH-UHFFFAOYSA-N 1 2 341.433 1.002 20 30 EDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 ZINC000494701902 255258845 /nfs/dbraw/zinc/25/88/45/255258845.db2.gz HQSCFOOVIQVAAH-UHFFFAOYSA-N 1 2 341.433 1.002 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495028129 255266062 /nfs/dbraw/zinc/26/60/62/255266062.db2.gz DLZIFIICWMKCIK-CQSZACIVSA-N 1 2 329.356 1.347 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495103601 255268930 /nfs/dbraw/zinc/26/89/30/255268930.db2.gz FKTLIWIAWGBMSF-ZIAGYGMSSA-N 1 2 341.452 1.293 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495103601 255268931 /nfs/dbraw/zinc/26/89/31/255268931.db2.gz FKTLIWIAWGBMSF-ZIAGYGMSSA-N 1 2 341.452 1.293 20 30 EDEDLO Cn1nccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000119664747 221371392 /nfs/dbraw/zinc/37/13/92/221371392.db2.gz QZKAPAMKNDDOFE-UHFFFAOYSA-N 1 2 338.371 1.862 20 30 EDEDLO Cc1nc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)ccc1C#N ZINC000264355349 139399682 /nfs/dbraw/zinc/39/96/82/139399682.db2.gz XRJJHKVTZFPQGY-UHFFFAOYSA-N 1 2 340.387 1.043 20 30 EDEDLO COCCCCCON=C(N)C[NH+]1CCN(c2ccccc2)CC1 ZINC000174119636 533234518 /nfs/dbraw/zinc/23/45/18/533234518.db2.gz BBPNAXTUIMTRAZ-UHFFFAOYSA-N 1 2 334.464 1.914 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270990785 140215312 /nfs/dbraw/zinc/21/53/12/140215312.db2.gz YAWVHJXHUQBWCB-CJNGLKHVSA-N 1 2 326.400 1.582 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270990785 140215314 /nfs/dbraw/zinc/21/53/14/140215314.db2.gz YAWVHJXHUQBWCB-CJNGLKHVSA-N 1 2 326.400 1.582 20 30 EDEDLO COC[C@@H]1C[C@@H](OC)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000344384457 142959656 /nfs/dbraw/zinc/95/96/56/142959656.db2.gz OKFJDAVXKPEPJT-LSDHHAIUSA-N 1 2 338.429 1.068 20 30 EDEDLO COC[C@@H]1C[C@@H](OC)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000344384457 142959657 /nfs/dbraw/zinc/95/96/57/142959657.db2.gz OKFJDAVXKPEPJT-LSDHHAIUSA-N 1 2 338.429 1.068 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000346692752 143232637 /nfs/dbraw/zinc/23/26/37/143232637.db2.gz IROSAZCVGDXLNH-XTBFLFJDSA-N 1 2 326.400 1.471 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000346692752 143232638 /nfs/dbraw/zinc/23/26/38/143232638.db2.gz IROSAZCVGDXLNH-XTBFLFJDSA-N 1 2 326.400 1.471 20 30 EDEDLO Cc1cc(C[N@H+]2C[C@H](F)C[C@@H]2CN(C)c2cnc(C#N)cn2)on1 ZINC000347037671 143274824 /nfs/dbraw/zinc/27/48/24/143274824.db2.gz NLUVEDPEZLOPEH-TZMCWYRMSA-N 1 2 330.367 1.694 20 30 EDEDLO Cc1cc(C[N@@H+]2C[C@H](F)C[C@@H]2CN(C)c2cnc(C#N)cn2)on1 ZINC000347037671 143274825 /nfs/dbraw/zinc/27/48/25/143274825.db2.gz NLUVEDPEZLOPEH-TZMCWYRMSA-N 1 2 330.367 1.694 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C#N)c(O)c1)C1CCOCC1 ZINC000347349151 143311515 /nfs/dbraw/zinc/31/15/15/143311515.db2.gz IEWZMOGXNKUEKN-INIZCTEOSA-N 1 2 340.383 1.895 20 30 EDEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2cc(C#N)cn2C)cn1 ZINC000573212691 306615918 /nfs/dbraw/zinc/61/59/18/306615918.db2.gz DEZQDDHPGOLIGD-UHFFFAOYSA-N 1 2 337.387 1.169 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)o1 ZINC000352720275 149128934 /nfs/dbraw/zinc/12/89/34/149128934.db2.gz SOVLPZITQGFZDW-SJLPKXTDSA-N 1 2 337.379 1.877 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)o1 ZINC000352720275 149128935 /nfs/dbraw/zinc/12/89/35/149128935.db2.gz SOVLPZITQGFZDW-SJLPKXTDSA-N 1 2 337.379 1.877 20 30 EDEDLO COc1cc[nH+]c(CN2CCN(c3cccc(C#N)n3)CC2)c1OC ZINC000355242730 150180990 /nfs/dbraw/zinc/18/09/90/150180990.db2.gz RDADAKSZVYYWJL-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO COc1ccnc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1OC ZINC000355242730 150180993 /nfs/dbraw/zinc/18/09/93/150180993.db2.gz RDADAKSZVYYWJL-UHFFFAOYSA-N 1 2 339.399 1.688 20 30 EDEDLO CN(C)c1ncc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)s1 ZINC000355445986 150270660 /nfs/dbraw/zinc/27/06/60/150270660.db2.gz UNTOQGPEADSYMT-UHFFFAOYSA-N 1 2 328.445 1.798 20 30 EDEDLO N#Cc1cc(F)ccc1CS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000357524686 151056336 /nfs/dbraw/zinc/05/63/36/151056336.db2.gz CUWGAWYRUOPXJF-UHFFFAOYSA-N 1 2 334.376 1.624 20 30 EDEDLO CN1CC[NH+](C[C@@H]2CN(c3ccc(Cl)c(C#N)n3)CCO2)CC1 ZINC000371854610 156139345 /nfs/dbraw/zinc/13/93/45/156139345.db2.gz WFFZWMKWDLEMAT-CYBMUJFWSA-N 1 2 335.839 1.059 20 30 EDEDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000372337230 156341410 /nfs/dbraw/zinc/34/14/10/156341410.db2.gz LUMQACOQRCXLIN-HZPDHXFCSA-N 1 2 345.399 1.539 20 30 EDEDLO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000372337230 156341415 /nfs/dbraw/zinc/34/14/15/156341415.db2.gz LUMQACOQRCXLIN-HZPDHXFCSA-N 1 2 345.399 1.539 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000373806578 157012110 /nfs/dbraw/zinc/01/21/10/157012110.db2.gz SAZOTBGMLVCWFZ-MJGOQNOKSA-N 1 2 343.427 1.444 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000373806578 157012113 /nfs/dbraw/zinc/01/21/13/157012113.db2.gz SAZOTBGMLVCWFZ-MJGOQNOKSA-N 1 2 343.427 1.444 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1C#N ZINC000374196922 157189812 /nfs/dbraw/zinc/18/98/12/157189812.db2.gz BVRRGZJZNNTIRF-UHFFFAOYSA-N 1 2 337.383 1.935 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1C#N ZINC000374196922 157189817 /nfs/dbraw/zinc/18/98/17/157189817.db2.gz BVRRGZJZNNTIRF-UHFFFAOYSA-N 1 2 337.383 1.935 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000352415624 162171830 /nfs/dbraw/zinc/17/18/30/162171830.db2.gz OQHOPOMFYQSFDX-CABCVRRESA-N 1 2 329.791 1.882 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000352415624 162171833 /nfs/dbraw/zinc/17/18/33/162171833.db2.gz OQHOPOMFYQSFDX-CABCVRRESA-N 1 2 329.791 1.882 20 30 EDEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cnn(C)c2C#N)CC1 ZINC000356786693 162279794 /nfs/dbraw/zinc/27/97/94/162279794.db2.gz XTBAYHXWUQICJG-LBPRGKRZSA-N 1 2 329.429 1.872 20 30 EDEDLO Cn1c[nH+]c(CCNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC000515212216 269936512 /nfs/dbraw/zinc/93/65/12/269936512.db2.gz AJVLUEYVFJKBCJ-CQSZACIVSA-N 1 2 341.390 1.616 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000534126968 270016215 /nfs/dbraw/zinc/01/62/15/270016215.db2.gz SEAVSYZFKIRYEZ-OAHLLOKOSA-N 1 2 347.440 1.029 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000534126968 270016216 /nfs/dbraw/zinc/01/62/16/270016216.db2.gz SEAVSYZFKIRYEZ-OAHLLOKOSA-N 1 2 347.440 1.029 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000330594403 266157161 /nfs/dbraw/zinc/15/71/61/266157161.db2.gz WVYXCNBLNIKILI-LSDHHAIUSA-N 1 2 335.473 1.746 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000330594403 266157165 /nfs/dbraw/zinc/15/71/65/266157165.db2.gz WVYXCNBLNIKILI-LSDHHAIUSA-N 1 2 335.473 1.746 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285407529 267138078 /nfs/dbraw/zinc/13/80/78/267138078.db2.gz UONZFOXCSFKWEP-KDOFPFPSSA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285407529 267138080 /nfs/dbraw/zinc/13/80/80/267138080.db2.gz UONZFOXCSFKWEP-KDOFPFPSSA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@H]1SCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1C ZINC000290484389 267249654 /nfs/dbraw/zinc/24/96/54/267249654.db2.gz XLYOOTRUISVWPX-VXGBXAGGSA-N 1 2 325.459 1.553 20 30 EDEDLO C[C@H]1SCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1C ZINC000290484389 267249659 /nfs/dbraw/zinc/24/96/59/267249659.db2.gz XLYOOTRUISVWPX-VXGBXAGGSA-N 1 2 325.459 1.553 20 30 EDEDLO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)c[nH+]1 ZINC000433530520 267293201 /nfs/dbraw/zinc/29/32/01/267293201.db2.gz OWDNKAKAJFTNLR-UHFFFAOYSA-N 1 2 341.346 1.413 20 30 EDEDLO Cc1cc(N2CCN(c3ncccc3C(N)=O)CC2)c(C#N)c(C)[nH+]1 ZINC000301689446 267339893 /nfs/dbraw/zinc/33/98/93/267339893.db2.gz VVVOHZDMTGFIBC-UHFFFAOYSA-N 1 2 336.399 1.391 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C#N)[nH]c2C)nc[nH+]1 ZINC000449991400 267353078 /nfs/dbraw/zinc/35/30/78/267353078.db2.gz YNKHKTSUNDYOHO-CYBMUJFWSA-N 1 2 339.403 1.425 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C#N)[nH]c2C)[nH+]cn1 ZINC000449991400 267353082 /nfs/dbraw/zinc/35/30/82/267353082.db2.gz YNKHKTSUNDYOHO-CYBMUJFWSA-N 1 2 339.403 1.425 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(F)c(C#N)c1)C2 ZINC000515710550 268078954 /nfs/dbraw/zinc/07/89/54/268078954.db2.gz REINCEXHFGWPOM-AWEZNQCLSA-N 1 2 342.374 1.482 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+]([C@@H]3CCCN(C(C)C)C3=O)CC2)c1C#N ZINC000530361053 268091423 /nfs/dbraw/zinc/09/14/23/268091423.db2.gz IMKRCYKNXPGHLC-MRXNPFEDSA-N 1 2 344.463 1.122 20 30 EDEDLO N#Cc1c(F)cccc1N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492859186 268165623 /nfs/dbraw/zinc/16/56/23/268165623.db2.gz GDLYFDKGPSNVSY-SNAWJCMRSA-N 1 2 325.347 1.782 20 30 EDEDLO N#Cc1ccccc1-c1ccc(C[N@H+]2CCN(CC(N)=O)C(=O)C2)cc1 ZINC000459738201 268294880 /nfs/dbraw/zinc/29/48/80/268294880.db2.gz XILRLJSHQYRJIS-UHFFFAOYSA-N 1 2 348.406 1.355 20 30 EDEDLO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCN(CC(N)=O)C(=O)C2)cc1 ZINC000459738201 268294882 /nfs/dbraw/zinc/29/48/82/268294882.db2.gz XILRLJSHQYRJIS-UHFFFAOYSA-N 1 2 348.406 1.355 20 30 EDEDLO C=CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000345081663 277885723 /nfs/dbraw/zinc/88/57/23/277885723.db2.gz AXNCCUWOWAGTSM-QEORTHHSSA-N 1 2 330.432 1.943 20 30 EDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000355718113 288100621 /nfs/dbraw/zinc/10/06/21/288100621.db2.gz USWBFWWBPZZFTQ-WDEREUQCSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000355718113 288100626 /nfs/dbraw/zinc/10/06/26/288100626.db2.gz USWBFWWBPZZFTQ-WDEREUQCSA-N 1 2 327.837 1.925 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(C#N)c1C ZINC000346664020 279273734 /nfs/dbraw/zinc/27/37/34/279273734.db2.gz XNBIAQNIMAAMNH-DNVSUFBTSA-N 1 2 344.415 1.681 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(C#N)c1C ZINC000346664020 279273735 /nfs/dbraw/zinc/27/37/35/279273735.db2.gz XNBIAQNIMAAMNH-DNVSUFBTSA-N 1 2 344.415 1.681 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000378488185 294966554 /nfs/dbraw/zinc/96/65/54/294966554.db2.gz MTJODYBCRIQXIO-OAHLLOKOSA-N 1 2 330.413 1.892 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCN4C(=O)OCC[C@H]4C3)C2=O)cc1 ZINC000494133404 303194760 /nfs/dbraw/zinc/19/47/60/303194760.db2.gz MFCKIWUCHSJGLG-HOTGVXAUSA-N 1 2 340.383 1.190 20 30 EDEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCN4C(=O)OCC[C@H]4C3)C2=O)cc1 ZINC000494133404 303194761 /nfs/dbraw/zinc/19/47/61/303194761.db2.gz MFCKIWUCHSJGLG-HOTGVXAUSA-N 1 2 340.383 1.190 20 30 EDEDLO C=CC(C)(C)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448834782 447349819 /nfs/dbraw/zinc/34/98/19/447349819.db2.gz KASVHMGFFBTLFZ-UHFFFAOYSA-N 1 2 330.432 1.449 20 30 EDEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccncc3)CC2)cc1 ZINC000552030264 306173847 /nfs/dbraw/zinc/17/38/47/306173847.db2.gz GTZVZZPRRJWYQI-UHFFFAOYSA-N 1 2 336.395 1.857 20 30 EDEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000556824644 306219009 /nfs/dbraw/zinc/21/90/09/306219009.db2.gz KHEXSBHNLXILBV-DLBZAZTESA-N 1 2 335.411 1.729 20 30 EDEDLO N#CCCn1cc(C(=O)CN2CC[NH+](CCO)CC2)c2ccccc21 ZINC000070739287 441117810 /nfs/dbraw/zinc/11/78/10/441117810.db2.gz XFGATFDQIILUBO-UHFFFAOYSA-N 1 2 340.427 1.348 20 30 EDEDLO Cc1ccn2cc(C(=O)N(CCC#N)CC[NH+]3CCOCC3)nc2c1 ZINC000070920655 441126896 /nfs/dbraw/zinc/12/68/96/441126896.db2.gz HJCBNRAUETZFJW-UHFFFAOYSA-N 1 2 341.415 1.331 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc(C)c(CC(C)C)c(C)n2)CC1 ZINC000080224751 441151716 /nfs/dbraw/zinc/15/17/16/441151716.db2.gz CSXLRFDJNSQKHU-UHFFFAOYSA-N 1 2 345.491 1.716 20 30 EDEDLO N#CCC[N@@H+](CC(=O)NC[C@H]1COc2ccccc2O1)CC1CC1 ZINC000081044217 441225266 /nfs/dbraw/zinc/22/52/66/441225266.db2.gz WAKINLYPSCISHT-HNNXBMFYSA-N 1 2 329.400 1.568 20 30 EDEDLO N#CCC[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)CC1CC1 ZINC000081044217 441225270 /nfs/dbraw/zinc/22/52/70/441225270.db2.gz WAKINLYPSCISHT-HNNXBMFYSA-N 1 2 329.400 1.568 20 30 EDEDLO N#Cc1ccccc1OCC[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000060465198 441245140 /nfs/dbraw/zinc/24/51/40/441245140.db2.gz QYKYZKMGWQPVKY-UHFFFAOYSA-N 1 2 342.443 1.177 20 30 EDEDLO N#Cc1ccccc1OCCN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000060465198 441245145 /nfs/dbraw/zinc/24/51/45/441245145.db2.gz QYKYZKMGWQPVKY-UHFFFAOYSA-N 1 2 342.443 1.177 20 30 EDEDLO Cc1nc(CN2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)oc1C ZINC000105797175 441272610 /nfs/dbraw/zinc/27/26/10/441272610.db2.gz JDFBOOWUJWMULQ-CQSZACIVSA-N 1 2 333.436 1.170 20 30 EDEDLO CC(=O)NC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000050991145 441394012 /nfs/dbraw/zinc/39/40/12/441394012.db2.gz SIKSPXNNKOUCLN-LLVKDONJSA-N 1 2 332.404 1.696 20 30 EDEDLO CC[N@H+](Cc1cnn(C)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083176704 441353435 /nfs/dbraw/zinc/35/34/35/441353435.db2.gz AULSPQRWQDGPHM-AWEZNQCLSA-N 1 2 329.429 1.981 20 30 EDEDLO CC[N@@H+](Cc1cnn(C)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083176704 441353440 /nfs/dbraw/zinc/35/34/40/441353440.db2.gz AULSPQRWQDGPHM-AWEZNQCLSA-N 1 2 329.429 1.981 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(CC(N)=O)CC2)C1=O ZINC000083185051 441354597 /nfs/dbraw/zinc/35/45/97/441354597.db2.gz YVCHGLBYKGFFDJ-CYBMUJFWSA-N 1 2 332.429 1.312 20 30 EDEDLO CCN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](C)C#N ZINC000049982497 441368596 /nfs/dbraw/zinc/36/85/96/441368596.db2.gz IREPVNDUMCRQMP-MRXNPFEDSA-N 1 2 344.459 1.939 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000027541889 441405027 /nfs/dbraw/zinc/40/50/27/441405027.db2.gz LOJPXZJLBMMKMS-AWEZNQCLSA-N 1 2 335.423 1.643 20 30 EDEDLO CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029253639 441454018 /nfs/dbraw/zinc/45/40/18/441454018.db2.gz WFEOBUNSXMOMDX-CYBMUJFWSA-N 1 2 345.447 1.803 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111292582 441531793 /nfs/dbraw/zinc/53/17/93/441531793.db2.gz NUAOZFNYNDLYMI-HOCLYGCPSA-N 1 2 340.427 1.972 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111292582 441531799 /nfs/dbraw/zinc/53/17/99/441531799.db2.gz NUAOZFNYNDLYMI-HOCLYGCPSA-N 1 2 340.427 1.972 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CSCC(=O)Nc2ccc(F)cc2)CC1 ZINC000089783528 441579073 /nfs/dbraw/zinc/57/90/73/441579073.db2.gz FCNAECMXVVESDD-UHFFFAOYSA-N 1 2 349.431 1.275 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCN(CC(F)(F)F)CC2)CCCCC1 ZINC000076198607 441609475 /nfs/dbraw/zinc/60/94/75/441609475.db2.gz QDBJAYDRIFJKHS-UHFFFAOYSA-N 1 2 346.397 1.899 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(CC(F)(F)F)CC2)CCCCC1 ZINC000076198607 441609479 /nfs/dbraw/zinc/60/94/79/441609479.db2.gz QDBJAYDRIFJKHS-UHFFFAOYSA-N 1 2 346.397 1.899 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000076877412 441691743 /nfs/dbraw/zinc/69/17/43/441691743.db2.gz LEJDXUKBLJSZRL-CQSZACIVSA-N 1 2 349.504 1.577 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)nc3)c[nH+]2)CCO1 ZINC000115029495 441709723 /nfs/dbraw/zinc/70/97/23/441709723.db2.gz MZUKITSXEUYDJB-CYBMUJFWSA-N 1 2 337.383 1.503 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCNC(=O)[C@@H]3c3ccccc3)n2c1 ZINC000092675362 441819558 /nfs/dbraw/zinc/81/95/58/441819558.db2.gz DMSUJYQOTMTDRI-SFHVURJKSA-N 1 2 331.379 1.879 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000043142173 441820453 /nfs/dbraw/zinc/82/04/53/441820453.db2.gz XEQJUUOJAVDHCB-WBVHZDCISA-N 1 2 330.432 1.688 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000043142173 441820457 /nfs/dbraw/zinc/82/04/57/441820457.db2.gz XEQJUUOJAVDHCB-WBVHZDCISA-N 1 2 330.432 1.688 20 30 EDEDLO CCOC(=O)C1(C)CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000092836587 441831979 /nfs/dbraw/zinc/83/19/79/441831979.db2.gz LLNJVIOVAMVBAZ-UHFFFAOYSA-N 1 2 335.448 1.994 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C[C@H]21 ZINC000159725532 441834122 /nfs/dbraw/zinc/83/41/22/441834122.db2.gz AKDQSYYLFQQRKS-CVEARBPZSA-N 1 2 329.400 1.257 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C[C@H]21 ZINC000159725532 441834127 /nfs/dbraw/zinc/83/41/27/441834127.db2.gz AKDQSYYLFQQRKS-CVEARBPZSA-N 1 2 329.400 1.257 20 30 EDEDLO CC[C@H](C#N)NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000122241617 441840348 /nfs/dbraw/zinc/84/03/48/441840348.db2.gz QEYOLPXENJPXOH-OAHLLOKOSA-N 1 2 336.461 1.014 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000122223843 441840807 /nfs/dbraw/zinc/84/08/07/441840807.db2.gz SKDJMZXPQGFOIN-UHFFFAOYSA-N 1 2 343.471 1.820 20 30 EDEDLO C[C@H](C(=O)N[C@@H](C#N)C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117797259 441878498 /nfs/dbraw/zinc/87/84/98/441878498.db2.gz KFPVAWNSDNBYQD-DYVFJYSZSA-N 1 2 330.407 1.755 20 30 EDEDLO COCCC[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000120174542 442022650 /nfs/dbraw/zinc/02/26/50/442022650.db2.gz WGTQKSONQRBMBF-GFCCVEGCSA-N 1 2 328.459 1.645 20 30 EDEDLO COCCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000120174542 442022656 /nfs/dbraw/zinc/02/26/56/442022656.db2.gz WGTQKSONQRBMBF-GFCCVEGCSA-N 1 2 328.459 1.645 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000151245751 442030411 /nfs/dbraw/zinc/03/04/11/442030411.db2.gz GZEMKRQMFZWUDY-STQMWFEESA-N 1 2 342.403 1.318 20 30 EDEDLO CN(C)c1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(F)c1 ZINC000120571692 442096200 /nfs/dbraw/zinc/09/62/00/442096200.db2.gz LWTIQVUDISFSQG-UHFFFAOYSA-N 1 2 348.422 1.580 20 30 EDEDLO C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000128243518 442254934 /nfs/dbraw/zinc/25/49/34/442254934.db2.gz KXYSEDMNVHFXMQ-GXFFZTMASA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000128243518 442254936 /nfs/dbraw/zinc/25/49/36/442254936.db2.gz KXYSEDMNVHFXMQ-GXFFZTMASA-N 1 2 343.836 1.209 20 30 EDEDLO CCN(C(=O)NCC[NH+]1CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000170741195 442255669 /nfs/dbraw/zinc/25/56/69/442255669.db2.gz RDYJNFGSTYKSDU-OAHLLOKOSA-N 1 2 330.432 1.983 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c(F)c1 ZINC000170778290 442262895 /nfs/dbraw/zinc/26/28/95/442262895.db2.gz HPWOJMQSAXEVOL-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c(F)c1 ZINC000170778290 442262899 /nfs/dbraw/zinc/26/28/99/442262899.db2.gz HPWOJMQSAXEVOL-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153262299 442271441 /nfs/dbraw/zinc/27/14/41/442271441.db2.gz MRELYRILRASSON-UHFFFAOYSA-N 1 2 332.360 1.571 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153262299 442271443 /nfs/dbraw/zinc/27/14/43/442271443.db2.gz MRELYRILRASSON-UHFFFAOYSA-N 1 2 332.360 1.571 20 30 EDEDLO CN(C)c1[nH+]cccc1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000170839281 442273345 /nfs/dbraw/zinc/27/33/45/442273345.db2.gz HYZDGWBKRGQIMM-UHFFFAOYSA-N 1 2 341.346 1.413 20 30 EDEDLO COCCOC1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000177082491 442295167 /nfs/dbraw/zinc/29/51/67/442295167.db2.gz XKMSGISXVYTHJV-QGZVFWFLSA-N 1 2 332.400 1.900 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000154124695 442322792 /nfs/dbraw/zinc/32/27/92/442322792.db2.gz JIBJAYPMODBZJH-INIZCTEOSA-N 1 2 349.394 1.677 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000154124795 442322870 /nfs/dbraw/zinc/32/28/70/442322870.db2.gz JIBJAYPMODBZJH-MRXNPFEDSA-N 1 2 349.394 1.677 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000130798750 442357166 /nfs/dbraw/zinc/35/71/66/442357166.db2.gz TVFQINGWFBZWDZ-QGZVFWFLSA-N 1 2 341.455 1.291 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC(Cn3cncn3)CC2)c(C#N)c1C ZINC000186228081 442491383 /nfs/dbraw/zinc/49/13/83/442491383.db2.gz YEXISSOKMDIGTI-UHFFFAOYSA-N 1 2 342.403 1.710 20 30 EDEDLO N#Cc1cc(Cl)ccc1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000186463110 442540236 /nfs/dbraw/zinc/54/02/36/442540236.db2.gz DOFDGQSZZKEFFL-UHFFFAOYSA-N 1 2 346.862 1.952 20 30 EDEDLO CCN(CC)C(=O)CN1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000191933980 442543031 /nfs/dbraw/zinc/54/30/31/442543031.db2.gz MSKLTCKMSVQYRY-UHFFFAOYSA-N 1 2 327.472 1.914 20 30 EDEDLO CCN(CC)C(=O)CN1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000191933980 442543035 /nfs/dbraw/zinc/54/30/35/442543035.db2.gz MSKLTCKMSVQYRY-UHFFFAOYSA-N 1 2 327.472 1.914 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000186702595 442596140 /nfs/dbraw/zinc/59/61/40/442596140.db2.gz KCEBADNXJIUUJW-OAHLLOKOSA-N 1 2 326.444 1.342 20 30 EDEDLO C[C@H](NC(=O)NCc1cc(C#N)ccc1F)[C@H](C)[NH+]1CCOCC1 ZINC000173192678 442620513 /nfs/dbraw/zinc/62/05/13/442620513.db2.gz UWHGWVVLJFWOML-STQMWFEESA-N 1 2 334.395 1.606 20 30 EDEDLO C[C@@H](C[S@@](C)=O)[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192776574 442685555 /nfs/dbraw/zinc/68/55/55/442685555.db2.gz LIXAOUYXVNXJJA-IBRHDDFTSA-N 1 2 333.457 1.752 20 30 EDEDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192776574 442685558 /nfs/dbraw/zinc/68/55/58/442685558.db2.gz LIXAOUYXVNXJJA-IBRHDDFTSA-N 1 2 333.457 1.752 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2nccc(OC)n2)CC1 ZINC000193498578 442748478 /nfs/dbraw/zinc/74/84/78/442748478.db2.gz PEYGHSPDCGYVLZ-OAHLLOKOSA-N 1 2 347.463 1.420 20 30 EDEDLO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)C1 ZINC000265481582 442789480 /nfs/dbraw/zinc/78/94/80/442789480.db2.gz DDGJCKYACHVSQO-HOTGVXAUSA-N 1 2 341.459 1.580 20 30 EDEDLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000193768798 442783559 /nfs/dbraw/zinc/78/35/59/442783559.db2.gz NCNKDFRRILRFLO-CABCVRRESA-N 1 2 329.448 1.769 20 30 EDEDLO CCCN1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1=O ZINC000189390287 442937597 /nfs/dbraw/zinc/93/75/97/442937597.db2.gz JPBKZXGUZMZQBQ-OAHLLOKOSA-N 1 2 334.464 1.662 20 30 EDEDLO CCCN1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1=O ZINC000189390287 442937600 /nfs/dbraw/zinc/93/76/00/442937600.db2.gz JPBKZXGUZMZQBQ-OAHLLOKOSA-N 1 2 334.464 1.662 20 30 EDEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000184840135 443085126 /nfs/dbraw/zinc/08/51/26/443085126.db2.gz BORLRZRQYDQOLV-ZDUSSCGKSA-N 1 2 327.392 1.075 20 30 EDEDLO C#CC[NH+](CC#C)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000268957353 443159227 /nfs/dbraw/zinc/15/92/27/443159227.db2.gz VZDAMMXJNDYZHO-UHFFFAOYSA-N 1 2 337.305 1.610 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000263731454 443237486 /nfs/dbraw/zinc/23/74/86/443237486.db2.gz YFIXDCXXVCEEBA-UHFFFAOYSA-N 1 2 327.837 1.206 20 30 EDEDLO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cn(-c2ccccc2)nn1 ZINC000185467984 443204577 /nfs/dbraw/zinc/20/45/77/443204577.db2.gz SMJWCTDHQJPUFN-FZKQIMNGSA-N 1 2 338.415 1.726 20 30 EDEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000191137749 443247469 /nfs/dbraw/zinc/24/74/69/443247469.db2.gz OURYBIHTOOVCCI-UHFFFAOYSA-N 1 2 331.416 1.652 20 30 EDEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000191137749 443247470 /nfs/dbraw/zinc/24/74/70/443247470.db2.gz OURYBIHTOOVCCI-UHFFFAOYSA-N 1 2 331.416 1.652 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCO[C@H](C#N)C1)c1ccc(F)cc1 ZINC000264336549 443260769 /nfs/dbraw/zinc/26/07/69/443260769.db2.gz AQXQLDDIZLPLNV-CABCVRRESA-N 1 2 343.362 1.583 20 30 EDEDLO C#C[C@@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000185989250 443294378 /nfs/dbraw/zinc/29/43/78/443294378.db2.gz SPIRZAIOTUHOPW-WBMJQRKESA-N 1 2 342.399 1.848 20 30 EDEDLO CC(C)N(C)c1ccc(C=CC(=O)c2c[nH]c(=O)n(C)c2=O)c[nH+]1 ZINC000191321688 443277893 /nfs/dbraw/zinc/27/78/93/443277893.db2.gz SQMRMCSKBKQXSK-FNORWQNLSA-N 1 2 328.372 1.209 20 30 EDEDLO C#CC[N@@H+](CCNS(=O)(=O)CCCOC)Cc1ccc(F)cc1 ZINC000267008165 443312753 /nfs/dbraw/zinc/31/27/53/443312753.db2.gz GLOYQCYAKQJGEP-UHFFFAOYSA-N 1 2 342.436 1.217 20 30 EDEDLO C#CC[N@H+](CCNS(=O)(=O)CCCOC)Cc1ccc(F)cc1 ZINC000267008165 443312757 /nfs/dbraw/zinc/31/27/57/443312757.db2.gz GLOYQCYAKQJGEP-UHFFFAOYSA-N 1 2 342.436 1.217 20 30 EDEDLO N#Cc1ccc(NCCC[N@@H+]2CCNC(=O)C2)c(Br)c1 ZINC000278848225 443460409 /nfs/dbraw/zinc/46/04/09/443460409.db2.gz XDURPAFDCCCNTC-UHFFFAOYSA-N 1 2 337.221 1.555 20 30 EDEDLO N#Cc1ccc(NCCC[N@H+]2CCNC(=O)C2)c(Br)c1 ZINC000278848225 443460413 /nfs/dbraw/zinc/46/04/13/443460413.db2.gz XDURPAFDCCCNTC-UHFFFAOYSA-N 1 2 337.221 1.555 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCCN(C=O)CC1)c1cccc(Cl)c1 ZINC000272965655 443504382 /nfs/dbraw/zinc/50/43/82/443504382.db2.gz PZGMIGUXAOVETR-UHFFFAOYSA-N 1 2 348.834 1.751 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCCN(C=O)CC1)c1cccc(Cl)c1 ZINC000272965655 443504384 /nfs/dbraw/zinc/50/43/84/443504384.db2.gz PZGMIGUXAOVETR-UHFFFAOYSA-N 1 2 348.834 1.751 20 30 EDEDLO C#CCOc1ccccc1CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000271786672 443513767 /nfs/dbraw/zinc/51/37/67/443513767.db2.gz FPSVELULCLYDNX-UHFFFAOYSA-N 1 2 340.427 1.839 20 30 EDEDLO CCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)c(C#N)c1CC ZINC000273450381 443574601 /nfs/dbraw/zinc/57/46/01/443574601.db2.gz DHJVRCAEKFCSNW-UHFFFAOYSA-N 1 2 337.431 1.898 20 30 EDEDLO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000279695419 443619442 /nfs/dbraw/zinc/61/94/42/443619442.db2.gz IVDUAKXCHFXIBQ-CYBMUJFWSA-N 1 2 340.383 1.352 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)COc2ccc(C#N)cc2)C1 ZINC000276275821 443679540 /nfs/dbraw/zinc/67/95/40/443679540.db2.gz GVCATVBDIFBSHR-SFHVURJKSA-N 1 2 343.427 1.506 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)COc2ccc(C#N)cc2)C1 ZINC000276275821 443679542 /nfs/dbraw/zinc/67/95/42/443679542.db2.gz GVCATVBDIFBSHR-SFHVURJKSA-N 1 2 343.427 1.506 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000286636819 443719669 /nfs/dbraw/zinc/71/96/69/443719669.db2.gz DCKOICQXCJRQSK-GDBMZVCRSA-N 1 2 342.395 1.088 20 30 EDEDLO CN1CCO[C@@H]2CC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@@H]21 ZINC000284814683 443789164 /nfs/dbraw/zinc/78/91/64/443789164.db2.gz PLAJNEPVIRASEF-JKSUJKDBSA-N 1 2 339.399 1.513 20 30 EDEDLO CN1CCO[C@@H]2CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@@H]21 ZINC000284814683 443789169 /nfs/dbraw/zinc/78/91/69/443789169.db2.gz PLAJNEPVIRASEF-JKSUJKDBSA-N 1 2 339.399 1.513 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@@H]21 ZINC000284814683 443789173 /nfs/dbraw/zinc/78/91/73/443789173.db2.gz PLAJNEPVIRASEF-JKSUJKDBSA-N 1 2 339.399 1.513 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)C[C@@H]21 ZINC000284814683 443789178 /nfs/dbraw/zinc/78/91/78/443789178.db2.gz PLAJNEPVIRASEF-JKSUJKDBSA-N 1 2 339.399 1.513 20 30 EDEDLO C[N@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292337155 443791185 /nfs/dbraw/zinc/79/11/85/443791185.db2.gz WTHDHLOHKPPIRP-OAHLLOKOSA-N 1 2 326.849 1.657 20 30 EDEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292337155 443791186 /nfs/dbraw/zinc/79/11/86/443791186.db2.gz WTHDHLOHKPPIRP-OAHLLOKOSA-N 1 2 326.849 1.657 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)NCCCC#N ZINC000281010545 443795304 /nfs/dbraw/zinc/79/53/04/443795304.db2.gz VCFPEBHAXRCHTP-KBPBESRZSA-N 1 2 336.415 1.278 20 30 EDEDLO Cc1nsc(N2CC[NH+]([C@@H](C)C(=O)N3CCCCC3)CC2)c1C#N ZINC000287877900 443759194 /nfs/dbraw/zinc/75/91/94/443759194.db2.gz NUNZXMUFHUJNSK-AWEZNQCLSA-N 1 2 347.488 1.846 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000284098136 443765014 /nfs/dbraw/zinc/76/50/14/443765014.db2.gz VCHHFIBBJWOMHE-UHFFFAOYSA-N 1 2 328.416 1.886 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284293014 443772042 /nfs/dbraw/zinc/77/20/42/443772042.db2.gz OCYCPOXHGUTNDY-AAEUAGOBSA-N 1 2 341.371 1.441 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000284293014 443772047 /nfs/dbraw/zinc/77/20/47/443772047.db2.gz OCYCPOXHGUTNDY-AAEUAGOBSA-N 1 2 341.371 1.441 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C[C@@H]21 ZINC000284454464 443775964 /nfs/dbraw/zinc/77/59/64/443775964.db2.gz KWLCZYVFXKAOAB-DLBZAZTESA-N 1 2 343.427 1.647 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)C[C@@H]21 ZINC000284454464 443775969 /nfs/dbraw/zinc/77/59/69/443775969.db2.gz KWLCZYVFXKAOAB-DLBZAZTESA-N 1 2 343.427 1.647 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)[C@@H]2CCCO2)cc1OC ZINC000284487084 443776920 /nfs/dbraw/zinc/77/69/20/443776920.db2.gz SFCHYGYSPZVGST-MFKMUULPSA-N 1 2 337.376 1.499 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H](COc2ccccc2)OC(C)(C)C1 ZINC000284551814 443779223 /nfs/dbraw/zinc/77/92/23/443779223.db2.gz MRLMCTPHXZSWIJ-DOTOQJQBSA-N 1 2 330.428 1.683 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H](COc2ccccc2)OC(C)(C)C1 ZINC000284551814 443779226 /nfs/dbraw/zinc/77/92/26/443779226.db2.gz MRLMCTPHXZSWIJ-DOTOQJQBSA-N 1 2 330.428 1.683 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC(=O)Nc2ccccc2)C1=O ZINC000281185935 443842415 /nfs/dbraw/zinc/84/24/15/443842415.db2.gz BHJOEWWHCJRZQD-CQSZACIVSA-N 1 2 330.388 1.053 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)Nc2ccccc2)C1=O ZINC000281185935 443842418 /nfs/dbraw/zinc/84/24/18/443842418.db2.gz BHJOEWWHCJRZQD-CQSZACIVSA-N 1 2 330.388 1.053 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)C1=O ZINC000281294486 443871577 /nfs/dbraw/zinc/87/15/77/443871577.db2.gz JKJKGXUPKIUYHV-HNNXBMFYSA-N 1 2 332.448 1.390 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)C1=O ZINC000281294486 443871581 /nfs/dbraw/zinc/87/15/81/443871581.db2.gz JKJKGXUPKIUYHV-HNNXBMFYSA-N 1 2 332.448 1.390 20 30 EDEDLO C=CC[C@H](CC)NC(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000281472706 443922083 /nfs/dbraw/zinc/92/20/83/443922083.db2.gz UUPKWVIMYIGRGF-UONOGXRCSA-N 1 2 332.452 1.629 20 30 EDEDLO C=CC[C@H](CC)NC(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000281472706 443922087 /nfs/dbraw/zinc/92/20/87/443922087.db2.gz UUPKWVIMYIGRGF-UONOGXRCSA-N 1 2 332.452 1.629 20 30 EDEDLO C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000298993637 443922733 /nfs/dbraw/zinc/92/27/33/443922733.db2.gz GVPMOMAIWOFBRU-UHFFFAOYSA-N 1 2 338.411 1.483 20 30 EDEDLO CC[N@H+](CCOC)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000299135108 443964672 /nfs/dbraw/zinc/96/46/72/443964672.db2.gz OUFBZIZRIXHGBC-CYBMUJFWSA-N 1 2 328.372 1.480 20 30 EDEDLO CC[N@@H+](CCOC)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000299135108 443964674 /nfs/dbraw/zinc/96/46/74/443964674.db2.gz OUFBZIZRIXHGBC-CYBMUJFWSA-N 1 2 328.372 1.480 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000299146095 443967004 /nfs/dbraw/zinc/96/70/04/443967004.db2.gz VOIYVEWJVNZSFE-QGZVFWFLSA-N 1 2 344.415 1.917 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000299146095 443967006 /nfs/dbraw/zinc/96/70/06/443967006.db2.gz VOIYVEWJVNZSFE-QGZVFWFLSA-N 1 2 344.415 1.917 20 30 EDEDLO COCCOCC[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000288746297 443971556 /nfs/dbraw/zinc/97/15/56/443971556.db2.gz GDPBCYODGFIZCX-UHFFFAOYSA-N 1 2 337.445 1.836 20 30 EDEDLO COCCOCC[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000288746297 443971559 /nfs/dbraw/zinc/97/15/59/443971559.db2.gz GDPBCYODGFIZCX-UHFFFAOYSA-N 1 2 337.445 1.836 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288784277 443982906 /nfs/dbraw/zinc/98/29/06/443982906.db2.gz JLHUCPKIZJWKJG-QGZVFWFLSA-N 1 2 329.400 1.914 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288784277 443982910 /nfs/dbraw/zinc/98/29/10/443982910.db2.gz JLHUCPKIZJWKJG-QGZVFWFLSA-N 1 2 329.400 1.914 20 30 EDEDLO C=CCCOCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000285472689 443998036 /nfs/dbraw/zinc/99/80/36/443998036.db2.gz CKBJZKITAVLVGF-UHFFFAOYSA-N 1 2 346.431 1.007 20 30 EDEDLO C=CCCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000285482109 444000974 /nfs/dbraw/zinc/00/09/74/444000974.db2.gz 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CC(C)C[C@H]1C(=O)NCCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000293480580 444029352 /nfs/dbraw/zinc/02/93/52/444029352.db2.gz FSAJSZFQNYXUIL-KRWDZBQOSA-N 1 2 342.443 1.411 20 30 EDEDLO CC(C)C[C@H]1C(=O)NCCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000293480580 444029355 /nfs/dbraw/zinc/02/93/55/444029355.db2.gz FSAJSZFQNYXUIL-KRWDZBQOSA-N 1 2 342.443 1.411 20 30 EDEDLO COc1ccc(C[NH+]2CCN(C(=O)CN(CC#N)C3CC3)CC2)cc1 ZINC000299545370 444075417 /nfs/dbraw/zinc/07/54/17/444075417.db2.gz OHQZIGRLNRTRLP-UHFFFAOYSA-N 1 2 342.443 1.327 20 30 EDEDLO Cc1cc(C)cc(OCC(=O)N2CC[NH+](CCOCCC#N)CC2)c1 ZINC000293925851 444095371 /nfs/dbraw/zinc/09/53/71/444095371.db2.gz YGUNZUJUYKBRKC-UHFFFAOYSA-N 1 2 345.443 1.757 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000570570556 321348531 /nfs/dbraw/zinc/34/85/31/321348531.db2.gz VLBZEWZMYLCDKP-QEJZJMRPSA-N 1 2 325.372 1.374 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000570570556 321348532 /nfs/dbraw/zinc/34/85/32/321348532.db2.gz VLBZEWZMYLCDKP-QEJZJMRPSA-N 1 2 325.372 1.374 20 30 EDEDLO C#CCO[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000294477183 444118182 /nfs/dbraw/zinc/11/81/82/444118182.db2.gz FRUMGWKJAXFNCW-CVEARBPZSA-N 1 2 330.428 1.939 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000285803570 444112887 /nfs/dbraw/zinc/11/28/87/444112887.db2.gz FWPFKJALKUTLGK-JLSDUUJJSA-N 1 2 343.427 1.567 20 30 EDEDLO N#Cc1cc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c2ccccc2n1 ZINC000301342884 444165499 /nfs/dbraw/zinc/16/54/99/444165499.db2.gz JJDITCCMDMRCFA-UHFFFAOYSA-N 1 2 349.438 1.851 20 30 EDEDLO COC(=O)C1=NOC2(C1)CCN(c1cc(C)[nH+]c(C)c1C#N)CC2 ZINC000302319029 444211914 /nfs/dbraw/zinc/21/19/14/444211914.db2.gz QUFLYFKXSGHLIV-UHFFFAOYSA-N 1 2 328.372 1.858 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCS(=O)(=O)C[C@H]3C3CCC3)n2c1 ZINC000577204326 321632624 /nfs/dbraw/zinc/63/26/24/321632624.db2.gz HFSXQNXGHSHAHA-INIZCTEOSA-N 1 2 344.440 1.605 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000308682018 444289265 /nfs/dbraw/zinc/28/92/65/444289265.db2.gz AQQBZAGVRBJCMX-UHFFFAOYSA-N 1 2 337.445 1.088 20 30 EDEDLO C=CCN(C)C(=O)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000339989083 444349104 /nfs/dbraw/zinc/34/91/04/444349104.db2.gz BMVRTZPWNZUDDC-UHFFFAOYSA-N 1 2 326.400 1.235 20 30 EDEDLO Cc1[nH]c(C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)c[nH+]1 ZINC000328780372 444350428 /nfs/dbraw/zinc/35/04/28/444350428.db2.gz MMQPNDDKOFIQBL-GFCCVEGCSA-N 1 2 340.391 1.377 20 30 EDEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)[C@H]1CCNC(=O)C1 ZINC000328782773 444350940 /nfs/dbraw/zinc/35/09/40/444350940.db2.gz VEGNCNNFIJRAGG-AWEZNQCLSA-N 1 2 336.436 1.254 20 30 EDEDLO COC(=O)[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@@H]1C ZINC000330993693 444351059 /nfs/dbraw/zinc/35/10/59/444351059.db2.gz BTCGIBGGUAXELW-UONOGXRCSA-N 1 2 341.452 1.142 20 30 EDEDLO COC(=O)[C@@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@@H]1C ZINC000330993693 444351065 /nfs/dbraw/zinc/35/10/65/444351065.db2.gz BTCGIBGGUAXELW-UONOGXRCSA-N 1 2 341.452 1.142 20 30 EDEDLO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000321452143 444335908 /nfs/dbraw/zinc/33/59/08/444335908.db2.gz YCFQHQZIOAOJLA-TZMCWYRMSA-N 1 2 337.420 1.945 20 30 EDEDLO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000321452143 444335910 /nfs/dbraw/zinc/33/59/10/444335910.db2.gz YCFQHQZIOAOJLA-TZMCWYRMSA-N 1 2 337.420 1.945 20 30 EDEDLO CC(=O)NCc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000328922086 444405029 /nfs/dbraw/zinc/40/50/29/444405029.db2.gz UHNSYAGXCUOSMP-KBPBESRZSA-N 1 2 337.445 1.770 20 30 EDEDLO CC(=O)NCc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000328922086 444405032 /nfs/dbraw/zinc/40/50/32/444405032.db2.gz UHNSYAGXCUOSMP-KBPBESRZSA-N 1 2 337.445 1.770 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+][C@H]1CCc3c[nH]nc3C1)CCC2 ZINC000328652867 444415955 /nfs/dbraw/zinc/41/59/55/444415955.db2.gz KTCGKAVVLOHQNB-KBPBESRZSA-N 1 2 328.420 1.853 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N[C@H]1CCc3c[nH]nc3C1)CCC2 ZINC000328652867 444415958 /nfs/dbraw/zinc/41/59/58/444415958.db2.gz KTCGKAVVLOHQNB-KBPBESRZSA-N 1 2 328.420 1.853 20 30 EDEDLO CC(C)N1C[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1=O ZINC000331160664 444424073 /nfs/dbraw/zinc/42/40/73/444424073.db2.gz FESMBCUYJKBUID-SNVBAGLBSA-N 1 2 347.341 1.458 20 30 EDEDLO CC(C)c1nnc(NC(=O)CN2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000328908155 444397676 /nfs/dbraw/zinc/39/76/76/444397676.db2.gz LZMOYQDYAHLRCV-RYUDHWBXSA-N 1 2 339.465 1.654 20 30 EDEDLO CC(C)c1nnc(NC(=O)CN2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000328908155 444397680 /nfs/dbraw/zinc/39/76/80/444397680.db2.gz LZMOYQDYAHLRCV-RYUDHWBXSA-N 1 2 339.465 1.654 20 30 EDEDLO N#CCCN1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000331467274 444473353 /nfs/dbraw/zinc/47/33/53/444473353.db2.gz BWOBWZUNZSOCHK-GOSISDBHSA-N 1 2 326.444 1.709 20 30 EDEDLO O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328971832 444428576 /nfs/dbraw/zinc/42/85/76/444428576.db2.gz VFFQRDXWXPYGAO-UTUOFQBUSA-N 1 2 330.388 1.399 20 30 EDEDLO O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328971832 444428579 /nfs/dbraw/zinc/42/85/79/444428579.db2.gz VFFQRDXWXPYGAO-UTUOFQBUSA-N 1 2 330.388 1.399 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC(F)F)nc3)C[C@@H]21 ZINC000328686590 444429358 /nfs/dbraw/zinc/42/93/58/444429358.db2.gz GKMFEQIGDLRWDC-QWRGUYRKSA-N 1 2 328.319 1.243 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc(OC(F)F)nc3)C[C@@H]21 ZINC000328686590 444429361 /nfs/dbraw/zinc/42/93/61/444429361.db2.gz GKMFEQIGDLRWDC-QWRGUYRKSA-N 1 2 328.319 1.243 20 30 EDEDLO O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328993308 444437716 /nfs/dbraw/zinc/43/77/16/444437716.db2.gz SYRQVBNEDGDQBK-ZIAGYGMSSA-N 1 2 326.404 1.861 20 30 EDEDLO CNC(=O)NC1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000328720862 444440870 /nfs/dbraw/zinc/44/08/70/444440870.db2.gz WKGPGWFVDDWCDG-LLVKDONJSA-N 1 2 348.451 1.227 20 30 EDEDLO Cn1ccc2ccc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)cc2c1=O ZINC000329128403 444478968 /nfs/dbraw/zinc/47/89/68/444478968.db2.gz NKFHZJRDFBYAGV-CVEARBPZSA-N 1 2 342.399 1.099 20 30 EDEDLO Cn1ccc2ccc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)cc2c1=O ZINC000329128403 444478972 /nfs/dbraw/zinc/47/89/72/444478972.db2.gz NKFHZJRDFBYAGV-CVEARBPZSA-N 1 2 342.399 1.099 20 30 EDEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000329135350 444480994 /nfs/dbraw/zinc/48/09/94/444480994.db2.gz QOBDKRFBXRTVDG-UHFFFAOYSA-N 1 2 337.420 1.697 20 30 EDEDLO C[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)CC(=O)N1CCOCC1 ZINC000329203730 444501123 /nfs/dbraw/zinc/50/11/23/444501123.db2.gz WLDGTBSZWNKJAO-OAHLLOKOSA-N 1 2 347.415 1.257 20 30 EDEDLO C[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)CC(=O)N1CCOCC1 ZINC000329203730 444501125 /nfs/dbraw/zinc/50/11/25/444501125.db2.gz WLDGTBSZWNKJAO-OAHLLOKOSA-N 1 2 347.415 1.257 20 30 EDEDLO Cc1[nH]c(=O)[nH]c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000581021333 322125976 /nfs/dbraw/zinc/12/59/76/322125976.db2.gz WCBLHUZWVFNFTH-UHFFFAOYSA-N 1 2 325.372 1.253 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329245982 444511663 /nfs/dbraw/zinc/51/16/63/444511663.db2.gz VMKYEICJXDZEHO-JHJVBQTASA-N 1 2 325.434 1.758 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCn4cc[nH+]c4C3)C2)c(F)c1 ZINC000329313265 444530446 /nfs/dbraw/zinc/53/04/46/444530446.db2.gz QAIFEGJQZYIBRA-CQSZACIVSA-N 1 2 339.374 1.763 20 30 EDEDLO CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000329415973 444571457 /nfs/dbraw/zinc/57/14/57/444571457.db2.gz YZQVGYBKAXHMTG-STQMWFEESA-N 1 2 345.534 1.938 20 30 EDEDLO CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329429176 444575774 /nfs/dbraw/zinc/57/57/74/444575774.db2.gz JUGUZYBZSYNNNO-GDBMZVCRSA-N 1 2 337.464 1.987 20 30 EDEDLO CCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329429176 444575776 /nfs/dbraw/zinc/57/57/76/444575776.db2.gz JUGUZYBZSYNNNO-GDBMZVCRSA-N 1 2 337.464 1.987 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncncc2-c2ccccc2)CC1 ZINC000340923853 444578376 /nfs/dbraw/zinc/57/83/76/444578376.db2.gz YLCUYZRIAXZCOZ-UHFFFAOYSA-N 1 2 337.427 1.568 20 30 EDEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCO[C@@]2(CCCOC2)C1 ZINC000329442609 444581129 /nfs/dbraw/zinc/58/11/29/444581129.db2.gz NGUGXZSELXFULD-PBHICJAKSA-N 1 2 336.436 1.623 20 30 EDEDLO Cc1nc([C@@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CCO2)no1 ZINC000329355888 444547188 /nfs/dbraw/zinc/54/71/88/444547188.db2.gz VXZNSIRHHIDFGL-ZDUSSCGKSA-N 1 2 346.391 1.398 20 30 EDEDLO CC(C)c1nnc2n1C[C@H](NC(=O)N1CCn3cc[nH+]c3C1)CC2 ZINC000329362104 444549765 /nfs/dbraw/zinc/54/97/65/444549765.db2.gz YTTLEKKOTPQDHO-GFCCVEGCSA-N 1 2 329.408 1.343 20 30 EDEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)[C@H](C(=O)OC)C1 ZINC000343859826 444632068 /nfs/dbraw/zinc/63/20/68/444632068.db2.gz VTYMDSKVQZXOCB-CVEARBPZSA-N 1 2 330.384 1.679 20 30 EDEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)[C@H](C(=O)OC)C1 ZINC000343859826 444632070 /nfs/dbraw/zinc/63/20/70/444632070.db2.gz VTYMDSKVQZXOCB-CVEARBPZSA-N 1 2 330.384 1.679 20 30 EDEDLO C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCO1 ZINC000329692982 444682368 /nfs/dbraw/zinc/68/23/68/444682368.db2.gz AUYYRQAXYRZXBB-BRWVUGGUSA-N 1 2 339.480 1.902 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333452849 444672909 /nfs/dbraw/zinc/67/29/09/444672909.db2.gz NXMWXNKMIADCPG-BBWFWOEESA-N 1 2 337.464 1.474 20 30 EDEDLO O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329763650 444707856 /nfs/dbraw/zinc/70/78/56/444707856.db2.gz UURPVVHQEKGBLX-CZUORRHYSA-N 1 2 339.399 1.993 20 30 EDEDLO CCc1ocnc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000329788482 444717097 /nfs/dbraw/zinc/71/70/97/444717097.db2.gz RVZBCNJOEZNWKN-OAHLLOKOSA-N 1 2 325.434 1.750 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc4c3OCC(=O)N4)C[C@@H]21 ZINC000329798836 444720976 /nfs/dbraw/zinc/72/09/76/444720976.db2.gz XPFPVCMWZIAJMN-STQMWFEESA-N 1 2 332.360 1.227 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc4c3OCC(=O)N4)C[C@@H]21 ZINC000329798836 444720981 /nfs/dbraw/zinc/72/09/81/444720981.db2.gz XPFPVCMWZIAJMN-STQMWFEESA-N 1 2 332.360 1.227 20 30 EDEDLO Cc1nn(-c2ccccc2)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329702242 444686383 /nfs/dbraw/zinc/68/63/83/444686383.db2.gz HZYMBCVKYWYOGT-SJORKVTESA-N 1 2 341.415 1.741 20 30 EDEDLO Cc1nn(-c2ccccc2)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329702242 444686387 /nfs/dbraw/zinc/68/63/87/444686387.db2.gz HZYMBCVKYWYOGT-SJORKVTESA-N 1 2 341.415 1.741 20 30 EDEDLO COc1ccc2c(c1)[C@@H](NC(=O)N1C[C@@H]3[C@H](C1)OCC[N@@H+]3C)CCO2 ZINC000329852472 444740628 /nfs/dbraw/zinc/74/06/28/444740628.db2.gz UTVJLFGPDMLHJF-UXLLHSPISA-N 1 2 347.415 1.448 20 30 EDEDLO COc1ccc2c(c1)[C@@H](NC(=O)N1C[C@@H]3[C@H](C1)OCC[N@H+]3C)CCO2 ZINC000329852472 444740630 /nfs/dbraw/zinc/74/06/30/444740630.db2.gz UTVJLFGPDMLHJF-UXLLHSPISA-N 1 2 347.415 1.448 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000329878172 444750317 /nfs/dbraw/zinc/75/03/17/444750317.db2.gz KIOFQSOPUUZDLJ-GVDBMIGSSA-N 1 2 349.475 1.123 20 30 EDEDLO N#C[C@@H]1N(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCC[C@@]12CCCCO2 ZINC000329889154 444754445 /nfs/dbraw/zinc/75/44/45/444754445.db2.gz ZUNODRUDXXFZQR-MPGHIAIKSA-N 1 2 328.416 1.899 20 30 EDEDLO COCCC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCCC1 ZINC000329893163 444756498 /nfs/dbraw/zinc/75/64/98/444756498.db2.gz AMSJNRRFQXKBDI-CABCVRRESA-N 1 2 325.453 1.512 20 30 EDEDLO COCCC1(CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCCC1 ZINC000329893163 444756499 /nfs/dbraw/zinc/75/64/99/444756499.db2.gz AMSJNRRFQXKBDI-CABCVRRESA-N 1 2 325.453 1.512 20 30 EDEDLO CNC(=O)c1ccc(C)c(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000329927417 444772159 /nfs/dbraw/zinc/77/21/59/444772159.db2.gz LOKXSKAVXZKYDW-CABCVRRESA-N 1 2 332.404 1.490 20 30 EDEDLO CNC(=O)c1ccc(C)c(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000329927417 444772161 /nfs/dbraw/zinc/77/21/61/444772161.db2.gz LOKXSKAVXZKYDW-CABCVRRESA-N 1 2 332.404 1.490 20 30 EDEDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344095479 444779020 /nfs/dbraw/zinc/77/90/20/444779020.db2.gz AZLOAZIVKUQCPB-UHFFFAOYSA-N 1 2 329.360 1.849 20 30 EDEDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344095479 444779023 /nfs/dbraw/zinc/77/90/23/444779023.db2.gz AZLOAZIVKUQCPB-UHFFFAOYSA-N 1 2 329.360 1.849 20 30 EDEDLO COc1ccc(Cl)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329942759 444779942 /nfs/dbraw/zinc/77/99/42/444779942.db2.gz VSVVDRSOPUXKQR-OCCSQVGLSA-N 1 2 325.796 1.909 20 30 EDEDLO COc1ccc(Cl)cc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329942759 444779945 /nfs/dbraw/zinc/77/99/45/444779945.db2.gz VSVVDRSOPUXKQR-OCCSQVGLSA-N 1 2 325.796 1.909 20 30 EDEDLO C[C@@H]1CN(C([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)C[C@]2(CCOC2)O1 ZINC000329986529 444800269 /nfs/dbraw/zinc/80/02/69/444800269.db2.gz FJKMIMHKLKSCNR-KEYYUXOJSA-N 1 2 334.420 1.239 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000329986288 444800510 /nfs/dbraw/zinc/80/05/10/444800510.db2.gz FCLGVEXJESSUBP-GTAYFMOCSA-N 1 2 335.473 1.628 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000329986288 444800516 /nfs/dbraw/zinc/80/05/16/444800516.db2.gz FCLGVEXJESSUBP-GTAYFMOCSA-N 1 2 335.473 1.628 20 30 EDEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330080749 444837921 /nfs/dbraw/zinc/83/79/21/444837921.db2.gz JMWMERQHENBQHJ-JYJNAYRXSA-N 1 2 326.485 1.330 20 30 EDEDLO CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330080749 444837923 /nfs/dbraw/zinc/83/79/23/444837923.db2.gz JMWMERQHENBQHJ-JYJNAYRXSA-N 1 2 326.485 1.330 20 30 EDEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCC(F)(F)C1 ZINC000330105966 444846168 /nfs/dbraw/zinc/84/61/68/444846168.db2.gz KEVFODBHULNRIT-OLZOCXBDSA-N 1 2 345.390 1.311 20 30 EDEDLO CN(C)C(=O)C1(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000330183420 444877191 /nfs/dbraw/zinc/87/71/91/444877191.db2.gz HXERSTXHODWQMR-ZDUSSCGKSA-N 1 2 333.436 1.350 20 30 EDEDLO CN(C)C(=O)C1(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000330183420 444877194 /nfs/dbraw/zinc/87/71/94/444877194.db2.gz HXERSTXHODWQMR-ZDUSSCGKSA-N 1 2 333.436 1.350 20 30 EDEDLO CO[C@H]1C[C@H](c2nncn2C)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000344501111 445016337 /nfs/dbraw/zinc/01/63/37/445016337.db2.gz BOCZJKRZUAQZCT-JKSUJKDBSA-N 1 2 327.388 1.528 20 30 EDEDLO CO[C@H]1C[C@H](c2nncn2C)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000344501111 445016341 /nfs/dbraw/zinc/01/63/41/445016341.db2.gz BOCZJKRZUAQZCT-JKSUJKDBSA-N 1 2 327.388 1.528 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H](C)[NH+]1C ZINC000339068968 445018040 /nfs/dbraw/zinc/01/80/40/445018040.db2.gz SUSPLHJDFXGFAQ-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)cc1 ZINC000330592346 445051795 /nfs/dbraw/zinc/05/17/95/445051795.db2.gz OXCMBEUUIZTTFA-INIZCTEOSA-N 1 2 341.415 1.160 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337410096 445067252 /nfs/dbraw/zinc/06/72/52/445067252.db2.gz OPWBNEMDTRIBEA-LSDHHAIUSA-N 1 2 328.478 1.475 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337410096 445067257 /nfs/dbraw/zinc/06/72/57/445067257.db2.gz OPWBNEMDTRIBEA-LSDHHAIUSA-N 1 2 328.478 1.475 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337422660 445073086 /nfs/dbraw/zinc/07/30/86/445073086.db2.gz VGHZQJYWXKSODR-HUUCEWRRSA-N 1 2 330.494 1.699 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337422660 445073089 /nfs/dbraw/zinc/07/30/89/445073089.db2.gz VGHZQJYWXKSODR-HUUCEWRRSA-N 1 2 330.494 1.699 20 30 EDEDLO CC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000330721780 445111998 /nfs/dbraw/zinc/11/19/98/445111998.db2.gz XWSQSVKQSJRSRB-OAHLLOKOSA-N 1 2 333.436 1.525 20 30 EDEDLO CC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000330721780 445112002 /nfs/dbraw/zinc/11/20/02/445112002.db2.gz XWSQSVKQSJRSRB-OAHLLOKOSA-N 1 2 333.436 1.525 20 30 EDEDLO CN(C)c1ncc(C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)cn1 ZINC000330785880 445140883 /nfs/dbraw/zinc/14/08/83/445140883.db2.gz UVPJAJKVCJHZIS-UHFFFAOYSA-N 1 2 330.436 1.317 20 30 EDEDLO CN(C)c1ncc(C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)cn1 ZINC000330785880 445140885 /nfs/dbraw/zinc/14/08/85/445140885.db2.gz UVPJAJKVCJHZIS-UHFFFAOYSA-N 1 2 330.436 1.317 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)C[C@H](O)C(F)(F)F)CCC2 ZINC000330847073 445163699 /nfs/dbraw/zinc/16/36/99/445163699.db2.gz LUCWVGOOOPELLR-QWRGUYRKSA-N 1 2 334.342 1.838 20 30 EDEDLO CCSc1nnc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)s1 ZINC000330847803 445164458 /nfs/dbraw/zinc/16/44/58/445164458.db2.gz YWXFEPGKBUTIAV-SECBINFHSA-N 1 2 331.467 1.697 20 30 EDEDLO CCSc1nnc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)s1 ZINC000330798725 445145756 /nfs/dbraw/zinc/14/57/56/445145756.db2.gz GRPQAKYOUUHEPK-VIFPVBQESA-N 1 2 331.467 1.697 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000348365778 445268229 /nfs/dbraw/zinc/26/82/29/445268229.db2.gz PGLFCQADKJWBIO-HUUCEWRRSA-N 1 2 332.452 1.096 20 30 EDEDLO COC(=O)c1sc2[nH]c(C[NH2+][C@@H]3CCC[C@@H]3C#N)nc(=O)c2c1C ZINC000347711226 445245590 /nfs/dbraw/zinc/24/55/90/445245590.db2.gz YZVADDLAZWOZIW-NXEZZACHSA-N 1 2 346.412 1.862 20 30 EDEDLO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1SCC(N)=O ZINC000347709284 445245648 /nfs/dbraw/zinc/24/56/48/445245648.db2.gz UBVDUFSIGCMTRN-NWDGAFQWSA-N 1 2 332.429 1.484 20 30 EDEDLO CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000343599505 445257553 /nfs/dbraw/zinc/25/75/53/445257553.db2.gz NZTRZJQNHCJQNR-HZPDHXFCSA-N 1 2 344.459 1.911 20 30 EDEDLO CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000343599505 445257556 /nfs/dbraw/zinc/25/75/56/445257556.db2.gz NZTRZJQNHCJQNR-HZPDHXFCSA-N 1 2 344.459 1.911 20 30 EDEDLO Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccc(C#N)o1 ZINC000348238461 445325700 /nfs/dbraw/zinc/32/57/00/445325700.db2.gz FKAZBXPTPPMIMH-RYUDHWBXSA-N 1 2 331.351 1.227 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348793528 445383838 /nfs/dbraw/zinc/38/38/38/445383838.db2.gz GYLBNOUBFNXTSQ-LLVKDONJSA-N 1 2 335.379 1.593 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348793528 445383841 /nfs/dbraw/zinc/38/38/41/445383841.db2.gz GYLBNOUBFNXTSQ-LLVKDONJSA-N 1 2 335.379 1.593 20 30 EDEDLO C=CCOCCCC(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000359877243 445470835 /nfs/dbraw/zinc/47/08/35/445470835.db2.gz MGGZIOQSWFHWBD-UHFFFAOYSA-N 1 2 336.436 2.000 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3c3nnc[nH]3)CC2)cc1 ZINC000360021793 445533129 /nfs/dbraw/zinc/53/31/29/445533129.db2.gz WPWQEBSJGHNCAA-CVEARBPZSA-N 1 2 336.399 1.124 20 30 EDEDLO CN1CCO[C@H]2C[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C[C@H]21 ZINC000352094198 445488590 /nfs/dbraw/zinc/48/85/90/445488590.db2.gz XUPLVIDSNMVGIK-CABCVRRESA-N 1 2 325.372 1.123 20 30 EDEDLO CN1CCO[C@H]2C[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C[C@H]21 ZINC000352094198 445488595 /nfs/dbraw/zinc/48/85/95/445488595.db2.gz XUPLVIDSNMVGIK-CABCVRRESA-N 1 2 325.372 1.123 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(Cc3nnc(-c4cccc(C#N)c4)o3)C[C@H]21 ZINC000352094198 445488599 /nfs/dbraw/zinc/48/85/99/445488599.db2.gz XUPLVIDSNMVGIK-CABCVRRESA-N 1 2 325.372 1.123 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(Cc3nnc(-c4cccc(C#N)c4)o3)C[C@H]21 ZINC000352094198 445488604 /nfs/dbraw/zinc/48/86/04/445488604.db2.gz XUPLVIDSNMVGIK-CABCVRRESA-N 1 2 325.372 1.123 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@H](CC)C(=O)OC)CC1 ZINC000352703022 445550426 /nfs/dbraw/zinc/55/04/26/445550426.db2.gz YSCDONAGDQJZSW-JKSUJKDBSA-N 1 2 339.480 1.369 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2=O)C(N)=O)cc1 ZINC000360070145 445553287 /nfs/dbraw/zinc/55/32/87/445553287.db2.gz SKYUTOOQRWXCQM-MSOLQXFVSA-N 1 2 348.406 1.870 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H]1COC[C@H]1O ZINC000352814555 445557469 /nfs/dbraw/zinc/55/74/69/445557469.db2.gz IQNTXKFUUJYYEU-VHDGCEQUSA-N 1 2 349.456 1.711 20 30 EDEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352814555 445557473 /nfs/dbraw/zinc/55/74/73/445557473.db2.gz IQNTXKFUUJYYEU-VHDGCEQUSA-N 1 2 349.456 1.711 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCC[C@@H]3C#N)c[nH+]2)CCO1 ZINC000360051062 445546535 /nfs/dbraw/zinc/54/65/35/445546535.db2.gz MKTPRKXAKCUTNZ-BMFZPTHFSA-N 1 2 343.431 1.798 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC ZINC000362911884 445607562 /nfs/dbraw/zinc/60/75/62/445607562.db2.gz VQCNGKLZUROPDS-QGZVFWFLSA-N 1 2 327.428 1.360 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC ZINC000362911884 445607563 /nfs/dbraw/zinc/60/75/63/445607563.db2.gz VQCNGKLZUROPDS-QGZVFWFLSA-N 1 2 327.428 1.360 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356137915 445641890 /nfs/dbraw/zinc/64/18/90/445641890.db2.gz QSGMOUCLZQNOOE-GFCCVEGCSA-N 1 2 347.362 1.701 20 30 EDEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356137915 445641895 /nfs/dbraw/zinc/64/18/95/445641895.db2.gz QSGMOUCLZQNOOE-GFCCVEGCSA-N 1 2 347.362 1.701 20 30 EDEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000349677005 445643546 /nfs/dbraw/zinc/64/35/46/445643546.db2.gz OIYVDWAIBHLMRM-UHFFFAOYSA-N 1 2 345.443 1.420 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC2CC[NH+](C(C)C)CC2)cc1C#N ZINC000349797354 445679996 /nfs/dbraw/zinc/67/99/96/445679996.db2.gz BKVNAPPTGCMKDC-UHFFFAOYSA-N 1 2 334.445 1.983 20 30 EDEDLO Cn1ccnc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1=O ZINC000353804020 445763448 /nfs/dbraw/zinc/76/34/48/445763448.db2.gz LVBDDAIEVPXXGC-UHFFFAOYSA-N 1 2 327.363 1.113 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1)c1ccccc1 ZINC000361408987 445764610 /nfs/dbraw/zinc/76/46/10/445764610.db2.gz RLUYZRBMVPXOHU-CQSZACIVSA-N 1 2 337.370 1.883 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1)c1ccccc1 ZINC000361408987 445764613 /nfs/dbraw/zinc/76/46/13/445764613.db2.gz RLUYZRBMVPXOHU-CQSZACIVSA-N 1 2 337.370 1.883 20 30 EDEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000356614452 445887369 /nfs/dbraw/zinc/88/73/69/445887369.db2.gz FOMUYSAMNCYSBB-ZBFHGGJFSA-N 1 2 345.353 1.745 20 30 EDEDLO Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000356614452 445887373 /nfs/dbraw/zinc/88/73/73/445887373.db2.gz FOMUYSAMNCYSBB-ZBFHGGJFSA-N 1 2 345.353 1.745 20 30 EDEDLO CCNc1ccc(C#N)cc1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000354097119 445900038 /nfs/dbraw/zinc/90/00/38/445900038.db2.gz NSMIGBXMNMLZKP-INIZCTEOSA-N 1 2 340.387 1.399 20 30 EDEDLO CCNc1ccc(C#N)cc1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000354097119 445900042 /nfs/dbraw/zinc/90/00/42/445900042.db2.gz NSMIGBXMNMLZKP-INIZCTEOSA-N 1 2 340.387 1.399 20 30 EDEDLO C=CCN1CC[C@@H]([NH2+]Cc2nnc3n2CCC[C@H]3C(F)(F)F)C1=O ZINC000369148553 445953942 /nfs/dbraw/zinc/95/39/42/445953942.db2.gz VIIYBQXWQXIKGA-GHMZBOCLSA-N 1 2 343.353 1.594 20 30 EDEDLO C#CCC1(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)CCCCC1 ZINC000364851860 445963102 /nfs/dbraw/zinc/96/31/02/445963102.db2.gz PJSJDDQGCVGQAP-QGZVFWFLSA-N 1 2 345.487 1.773 20 30 EDEDLO C[C@H]1C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC2(CCOCC2)O1 ZINC000369282799 446048666 /nfs/dbraw/zinc/04/86/66/446048666.db2.gz JGQWFBWUOZOKMN-INIZCTEOSA-N 1 2 349.475 1.941 20 30 EDEDLO C[C@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC2(CCOCC2)O1 ZINC000369282799 446048668 /nfs/dbraw/zinc/04/86/68/446048668.db2.gz JGQWFBWUOZOKMN-INIZCTEOSA-N 1 2 349.475 1.941 20 30 EDEDLO N#CCC1(O)CN(C(=O)[C@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)C1 ZINC000366397583 446193017 /nfs/dbraw/zinc/19/30/17/446193017.db2.gz GEPKJFOOYYBJLC-HNNXBMFYSA-N 1 2 336.395 1.599 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000366427699 446209511 /nfs/dbraw/zinc/20/95/11/446209511.db2.gz JEDYFGVEYWLFJG-QEJZJMRPSA-N 1 2 344.415 1.825 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000366427699 446209518 /nfs/dbraw/zinc/20/95/18/446209518.db2.gz JEDYFGVEYWLFJG-QEJZJMRPSA-N 1 2 344.415 1.825 20 30 EDEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCNC(=O)[C@H]2c2cccs2)cc1 ZINC000370556233 446331454 /nfs/dbraw/zinc/33/14/54/446331454.db2.gz GUSPRJGGHDOYON-GOEBONIOSA-N 1 2 327.409 1.826 20 30 EDEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCNC(=O)[C@H]2c2cccs2)cc1 ZINC000370556233 446331458 /nfs/dbraw/zinc/33/14/58/446331458.db2.gz GUSPRJGGHDOYON-GOEBONIOSA-N 1 2 327.409 1.826 20 30 EDEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000410715794 446337164 /nfs/dbraw/zinc/33/71/64/446337164.db2.gz PXACYOCXRPLFQK-UHFFFAOYSA-N 1 2 338.411 1.830 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3nc(C)cc(C#N)n3)CC2)no1 ZINC000376395379 446472436 /nfs/dbraw/zinc/47/24/36/446472436.db2.gz NEGSEQPSSCTVFL-OAHLLOKOSA-N 1 2 341.419 1.839 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3nc(C)cc(C#N)n3)CC2)no1 ZINC000376395379 446472442 /nfs/dbraw/zinc/47/24/42/446472442.db2.gz NEGSEQPSSCTVFL-OAHLLOKOSA-N 1 2 341.419 1.839 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000453717245 446618901 /nfs/dbraw/zinc/61/89/01/446618901.db2.gz JBYWYLDTUVIJEO-AWEZNQCLSA-N 1 2 337.383 1.935 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C#N ZINC000439670338 446827523 /nfs/dbraw/zinc/82/75/23/446827523.db2.gz AUSXYCIVZLQBRW-CMPLNLGQSA-N 1 2 334.445 1.935 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N ZINC000439670338 446827530 /nfs/dbraw/zinc/82/75/30/446827530.db2.gz AUSXYCIVZLQBRW-CMPLNLGQSA-N 1 2 334.445 1.935 20 30 EDEDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(C#N)c(C)c1)C2 ZINC000375523024 446870883 /nfs/dbraw/zinc/87/08/83/446870883.db2.gz NOKKWBVRMFSCKA-CQSZACIVSA-N 1 2 330.413 1.665 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCO[C@H]3CCC[C@H]32)cc1 ZINC000371885342 446972360 /nfs/dbraw/zinc/97/23/60/446972360.db2.gz CRPKEZVZGLOYGC-SJORKVTESA-N 1 2 334.441 1.975 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCO[C@H]3CCC[C@H]32)cc1 ZINC000371885342 446972364 /nfs/dbraw/zinc/97/23/64/446972364.db2.gz CRPKEZVZGLOYGC-SJORKVTESA-N 1 2 334.441 1.975 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000421044595 447007605 /nfs/dbraw/zinc/00/76/05/447007605.db2.gz SOBDFJSZZAYRTI-WBVHZDCISA-N 1 2 348.491 1.765 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000421044595 447007609 /nfs/dbraw/zinc/00/76/09/447007609.db2.gz SOBDFJSZZAYRTI-WBVHZDCISA-N 1 2 348.491 1.765 20 30 EDEDLO N#CC1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000442981096 446995405 /nfs/dbraw/zinc/99/54/05/446995405.db2.gz FBFYHKNMIGLVOL-UHFFFAOYSA-N 1 2 330.413 1.856 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413187584 447058401 /nfs/dbraw/zinc/05/84/01/447058401.db2.gz RTTABROMZXCJOV-CYBMUJFWSA-N 1 2 331.395 1.225 20 30 EDEDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)CCCCC#N ZINC000443724236 447061996 /nfs/dbraw/zinc/06/19/96/447061996.db2.gz MHNYMNOYLHEKAP-UHFFFAOYSA-N 1 2 331.482 1.300 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c1 ZINC000377495344 447164529 /nfs/dbraw/zinc/16/45/29/447164529.db2.gz NWPWRDHLSANREI-KBMXLJTQSA-N 1 2 326.400 1.615 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c1 ZINC000377495344 447164537 /nfs/dbraw/zinc/16/45/37/447164537.db2.gz NWPWRDHLSANREI-KBMXLJTQSA-N 1 2 326.400 1.615 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c(F)c1 ZINC000368908827 447196663 /nfs/dbraw/zinc/19/66/63/447196663.db2.gz DUCVJWANFUBLRX-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c(F)c1 ZINC000368908827 447196667 /nfs/dbraw/zinc/19/66/67/447196667.db2.gz DUCVJWANFUBLRX-QGZVFWFLSA-N 1 2 331.391 1.911 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000376003099 447204348 /nfs/dbraw/zinc/20/43/48/447204348.db2.gz ILTIQVJILNSSRU-LBPRGKRZSA-N 1 2 340.387 1.178 20 30 EDEDLO Cc1oc(C#N)cc1C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000376003099 447204353 /nfs/dbraw/zinc/20/43/53/447204353.db2.gz ILTIQVJILNSSRU-LBPRGKRZSA-N 1 2 340.387 1.178 20 30 EDEDLO C[C@@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1c1ncc(C#N)cc1Cl ZINC000372655154 447209423 /nfs/dbraw/zinc/20/94/23/447209423.db2.gz LSMSIZFGNRLKJE-HIFRSBDPSA-N 1 2 349.866 1.448 20 30 EDEDLO C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1c1ncc(C#N)cc1Cl ZINC000372655154 447209429 /nfs/dbraw/zinc/20/94/29/447209429.db2.gz LSMSIZFGNRLKJE-HIFRSBDPSA-N 1 2 349.866 1.448 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)nc1 ZINC000377565646 447209669 /nfs/dbraw/zinc/20/96/69/447209669.db2.gz TYDUTSXJTIJXOZ-CABCVRRESA-N 1 2 335.429 1.228 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)nc1 ZINC000377565646 447209671 /nfs/dbraw/zinc/20/96/71/447209671.db2.gz TYDUTSXJTIJXOZ-CABCVRRESA-N 1 2 335.429 1.228 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455794575 447231727 /nfs/dbraw/zinc/23/17/27/447231727.db2.gz SSFBNXCOHXGOSI-NSHDSACASA-N 1 2 336.827 1.364 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369046149 447284807 /nfs/dbraw/zinc/28/48/07/447284807.db2.gz DLGCSKBDJMFPAS-SJCJKPOMSA-N 1 2 328.372 1.460 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369046149 447284814 /nfs/dbraw/zinc/28/48/14/447284814.db2.gz DLGCSKBDJMFPAS-SJCJKPOMSA-N 1 2 328.372 1.460 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000414122955 447276227 /nfs/dbraw/zinc/27/62/27/447276227.db2.gz IYRZKJYBIOOVBQ-LBPRGKRZSA-N 1 2 330.344 1.728 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000414122955 447276231 /nfs/dbraw/zinc/27/62/31/447276231.db2.gz IYRZKJYBIOOVBQ-LBPRGKRZSA-N 1 2 330.344 1.728 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000416374730 447584300 /nfs/dbraw/zinc/58/43/00/447584300.db2.gz NNELLWRWPSLKOK-GXFFZTMASA-N 1 2 338.820 1.994 20 30 EDEDLO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000457136981 447535188 /nfs/dbraw/zinc/53/51/88/447535188.db2.gz VGRAUYZGGPWOTB-CQSZACIVSA-N 1 2 333.457 1.316 20 30 EDEDLO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000457136981 447535191 /nfs/dbraw/zinc/53/51/91/447535191.db2.gz VGRAUYZGGPWOTB-CQSZACIVSA-N 1 2 333.457 1.316 20 30 EDEDLO C=CCCCS(=O)(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000427794252 447649214 /nfs/dbraw/zinc/64/92/14/447649214.db2.gz SCOYSRWEWKIDFT-UHFFFAOYSA-N 1 2 337.445 1.238 20 30 EDEDLO C=CCCCS(=O)(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000427794252 447649221 /nfs/dbraw/zinc/64/92/21/447649221.db2.gz SCOYSRWEWKIDFT-UHFFFAOYSA-N 1 2 337.445 1.238 20 30 EDEDLO CC[C@@H]1CN(C(=O)c2cc(C)c(C#N)cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000457618506 447603562 /nfs/dbraw/zinc/60/35/62/447603562.db2.gz ODTDLYUBUHLJKF-PBHICJAKSA-N 1 2 328.416 1.445 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(C2N=NC(=O)O2)CC1 ZINC000459434588 447665091 /nfs/dbraw/zinc/66/50/91/447665091.db2.gz NDXXWZLHUCEKKM-UHFFFAOYSA-N 1 2 329.316 1.935 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2n[nH]c(=O)o2)CC1 ZINC000459434588 447665094 /nfs/dbraw/zinc/66/50/94/447665094.db2.gz NDXXWZLHUCEKKM-UHFFFAOYSA-N 1 2 329.316 1.935 20 30 EDEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000459468897 447676756 /nfs/dbraw/zinc/67/67/56/447676756.db2.gz SCIZIHUOLWSTGU-ZWNOBZJWSA-N 1 2 345.794 1.536 20 30 EDEDLO CC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(C)C ZINC000428798565 447717261 /nfs/dbraw/zinc/71/72/61/447717261.db2.gz BLIJDWKOIFNQCZ-QAPCUYQASA-N 1 2 344.415 1.136 20 30 EDEDLO CC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(C)C ZINC000428798565 447717266 /nfs/dbraw/zinc/71/72/66/447717266.db2.gz BLIJDWKOIFNQCZ-QAPCUYQASA-N 1 2 344.415 1.136 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1[nH+]ccn1C ZINC000496167816 447731751 /nfs/dbraw/zinc/73/17/51/447731751.db2.gz GUNIVKKZKIPOGD-STQMWFEESA-N 1 2 347.419 1.700 20 30 EDEDLO N#Cc1ccnc(NCc2cc[nH+]c(N3CCOCC3)c2)c1Cl ZINC000429201397 447735084 /nfs/dbraw/zinc/73/50/84/447735084.db2.gz FSBAXVYKCFJGLE-UHFFFAOYSA-N 1 2 329.791 2.450 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000451701494 447747824 /nfs/dbraw/zinc/74/78/24/447747824.db2.gz AEMUGZOUXAQNQJ-RDJZCZTQSA-N 1 2 342.505 1.700 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000451701494 447747826 /nfs/dbraw/zinc/74/78/26/447747826.db2.gz AEMUGZOUXAQNQJ-RDJZCZTQSA-N 1 2 342.505 1.700 20 30 EDEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@H]1O ZINC000451764989 447750203 /nfs/dbraw/zinc/75/02/03/447750203.db2.gz TUWAQWUUFHLCIV-BPLDGKMQSA-N 1 2 349.456 1.568 20 30 EDEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@H]1O ZINC000451764989 447750209 /nfs/dbraw/zinc/75/02/09/447750209.db2.gz TUWAQWUUFHLCIV-BPLDGKMQSA-N 1 2 349.456 1.568 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000459867746 447771285 /nfs/dbraw/zinc/77/12/85/447771285.db2.gz MTDPJNFZPTWGPP-UHFFFAOYSA-N 1 2 332.429 1.655 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCO1 ZINC000570102229 447946839 /nfs/dbraw/zinc/94/68/39/447946839.db2.gz KCZPGAQZOKMMIS-ZDUSSCGKSA-N 1 2 340.383 1.664 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCO1 ZINC000570102229 447946843 /nfs/dbraw/zinc/94/68/43/447946843.db2.gz KCZPGAQZOKMMIS-ZDUSSCGKSA-N 1 2 340.383 1.664 20 30 EDEDLO C#C[C@@H](CCC)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000491453113 448031926 /nfs/dbraw/zinc/03/19/26/448031926.db2.gz PHRVHDPSAVIGFT-AWEZNQCLSA-N 1 2 336.457 1.554 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000491463335 448034506 /nfs/dbraw/zinc/03/45/06/448034506.db2.gz MMTKBKCNVBTOND-INIZCTEOSA-N 1 2 329.400 1.385 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000491514944 448050293 /nfs/dbraw/zinc/05/02/93/448050293.db2.gz KTDJZMFYVBBHIJ-NSHDSACASA-N 1 2 342.378 1.571 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000491514944 448050298 /nfs/dbraw/zinc/05/02/98/448050298.db2.gz KTDJZMFYVBBHIJ-NSHDSACASA-N 1 2 342.378 1.571 20 30 EDEDLO C[N@@H+](Cc1nc(C#N)cs1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496975214 448087063 /nfs/dbraw/zinc/08/70/63/448087063.db2.gz QGMYGVJMAMATHB-LLVKDONJSA-N 1 2 326.422 1.332 20 30 EDEDLO C[N@H+](Cc1nc(C#N)cs1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496975214 448087064 /nfs/dbraw/zinc/08/70/64/448087064.db2.gz QGMYGVJMAMATHB-LLVKDONJSA-N 1 2 326.422 1.332 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000555650874 448088244 /nfs/dbraw/zinc/08/82/44/448088244.db2.gz UBWJAPJJGGLFIR-AWEZNQCLSA-N 1 2 338.415 1.026 20 30 EDEDLO C#C[C@H](C)N(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)[C@@H](C)C#C)c1 ZINC000491740412 448096458 /nfs/dbraw/zinc/09/64/58/448096458.db2.gz JXDNGTGVXONYBF-KBPBESRZSA-N 1 2 342.399 1.945 20 30 EDEDLO C#C[C@H](C)N(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)[C@@H](C)C#C)c1 ZINC000491740412 448096465 /nfs/dbraw/zinc/09/64/65/448096465.db2.gz JXDNGTGVXONYBF-KBPBESRZSA-N 1 2 342.399 1.945 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCN(c3ccccc3F)CC2)CCC1 ZINC000571067957 448103888 /nfs/dbraw/zinc/10/38/88/448103888.db2.gz RXFGXKRFPNLFEG-UHFFFAOYSA-N 1 2 330.407 1.900 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(c3ccccc3F)CC2)CCC1 ZINC000571067957 448103895 /nfs/dbraw/zinc/10/38/95/448103895.db2.gz RXFGXKRFPNLFEG-UHFFFAOYSA-N 1 2 330.407 1.900 20 30 EDEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)ncn3)CC2)cc1F ZINC000526137896 448109035 /nfs/dbraw/zinc/10/90/35/448109035.db2.gz HACYEQTVZZMLDQ-UHFFFAOYSA-N 1 2 327.363 1.818 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](C)C[C@@H]2OCCc3ccccc32)CC1 ZINC000491619012 448067645 /nfs/dbraw/zinc/06/76/45/448067645.db2.gz DLNVBPTWUWAJNG-IBGZPJMESA-N 1 2 341.455 1.010 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](C)C[C@@H]2OCCc3ccccc32)CC1 ZINC000491619012 448067650 /nfs/dbraw/zinc/06/76/50/448067650.db2.gz DLNVBPTWUWAJNG-IBGZPJMESA-N 1 2 341.455 1.010 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ncc(C#N)cn3)C[C@@H]2C1 ZINC000497017953 448127809 /nfs/dbraw/zinc/12/78/09/448127809.db2.gz GVSZPYZRLQMUMA-OKILXGFUSA-N 1 2 329.404 1.647 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ncc(C#N)cn3)C[C@@H]2C1 ZINC000497017953 448127812 /nfs/dbraw/zinc/12/78/12/448127812.db2.gz GVSZPYZRLQMUMA-OKILXGFUSA-N 1 2 329.404 1.647 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000558571118 448198489 /nfs/dbraw/zinc/19/84/89/448198489.db2.gz HDQVXCBCRPHUIP-AEFFLSMTSA-N 1 2 345.443 1.625 20 30 EDEDLO C[C@@H](NC(=O)CCc1ccccc1)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000514942153 448229326 /nfs/dbraw/zinc/22/93/26/448229326.db2.gz SVICNOBWUNVLRH-KDOFPFPSSA-N 1 2 330.432 1.084 20 30 EDEDLO Cc1nnc([C@@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)[nH]1 ZINC000591053727 448245582 /nfs/dbraw/zinc/24/55/82/448245582.db2.gz GYDCHTQZGFWERF-CHWSQXEVSA-N 1 2 342.428 1.641 20 30 EDEDLO Cc1nnc([C@@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)[nH]1 ZINC000591053727 448245588 /nfs/dbraw/zinc/24/55/88/448245588.db2.gz GYDCHTQZGFWERF-CHWSQXEVSA-N 1 2 342.428 1.641 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562361566 448248996 /nfs/dbraw/zinc/24/89/96/448248996.db2.gz KRLWNZVJCRKJAK-MRXNPFEDSA-N 1 2 341.459 1.888 20 30 EDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1-c1cccc(C#N)c1 ZINC000582729177 448324372 /nfs/dbraw/zinc/32/43/72/448324372.db2.gz CGVSZMDXLJATCV-GOSISDBHSA-N 1 2 336.399 1.626 20 30 EDEDLO N#CC[C@@]1(O)CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000591904290 448560227 /nfs/dbraw/zinc/56/02/27/448560227.db2.gz WESZTQRTTPNNSI-OAHLLOKOSA-N 1 2 333.779 1.548 20 30 EDEDLO N#Cc1cncnc1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000591912527 448569391 /nfs/dbraw/zinc/56/93/91/448569391.db2.gz VOBQDJGINKUAJV-INIZCTEOSA-N 1 2 343.818 1.857 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1c[nH+]c2n1CCCC2 ZINC000584571307 448573049 /nfs/dbraw/zinc/57/30/49/448573049.db2.gz ZZFMZKPRJAYRTB-UHFFFAOYSA-N 1 2 332.385 1.900 20 30 EDEDLO CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000584467711 448537675 /nfs/dbraw/zinc/53/76/75/448537675.db2.gz CAZDNSYJXNWWDK-CYBMUJFWSA-N 1 2 334.395 1.529 20 30 EDEDLO CC(=O)NCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000584467711 448537678 /nfs/dbraw/zinc/53/76/78/448537678.db2.gz CAZDNSYJXNWWDK-CYBMUJFWSA-N 1 2 334.395 1.529 20 30 EDEDLO CC(C)CN1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)CC1=O ZINC000528463545 448538068 /nfs/dbraw/zinc/53/80/68/448538068.db2.gz HQDPKSBCLJORBD-MRXNPFEDSA-N 1 2 331.416 1.098 20 30 EDEDLO CC(C)CN1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC1=O ZINC000528463545 448538073 /nfs/dbraw/zinc/53/80/73/448538073.db2.gz HQDPKSBCLJORBD-MRXNPFEDSA-N 1 2 331.416 1.098 20 30 EDEDLO N#CC[C@]1(O)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000591973985 448606477 /nfs/dbraw/zinc/60/64/77/448606477.db2.gz FRDAPMIPDOANKS-KRWDZBQOSA-N 1 2 346.387 1.282 20 30 EDEDLO CCC[C@H](C#N)NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000567008741 448598866 /nfs/dbraw/zinc/59/88/66/448598866.db2.gz URKRFWNQAUAGRK-CKEIUWERSA-N 1 2 345.447 1.918 20 30 EDEDLO N#Cc1cnccc1CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000592055110 448651566 /nfs/dbraw/zinc/65/15/66/448651566.db2.gz ILEOERYNUYPKAR-UHFFFAOYSA-N 1 2 349.438 1.387 20 30 EDEDLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2cccc(C#N)c2)cn1 ZINC000573472036 448636639 /nfs/dbraw/zinc/63/66/39/448636639.db2.gz SIJFRUHUIJAWFV-UHFFFAOYSA-N 1 2 334.383 1.831 20 30 EDEDLO CCOc1ccc(-c2noc(C[N@@H+]3CC[C@](O)(CC#N)C3)n2)cc1 ZINC000592147195 448707876 /nfs/dbraw/zinc/70/78/76/448707876.db2.gz JHNOMFOTLMVLLS-QGZVFWFLSA-N 1 2 328.372 1.986 20 30 EDEDLO CCOc1ccc(-c2noc(C[N@H+]3CC[C@](O)(CC#N)C3)n2)cc1 ZINC000592147195 448707882 /nfs/dbraw/zinc/70/78/82/448707882.db2.gz JHNOMFOTLMVLLS-QGZVFWFLSA-N 1 2 328.372 1.986 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000592151327 448712078 /nfs/dbraw/zinc/71/20/78/448712078.db2.gz LSWRFKHWXSAKSR-OAHLLOKOSA-N 1 2 335.770 1.910 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000592151327 448712080 /nfs/dbraw/zinc/71/20/80/448712080.db2.gz LSWRFKHWXSAKSR-OAHLLOKOSA-N 1 2 335.770 1.910 20 30 EDEDLO CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592150360 448712087 /nfs/dbraw/zinc/71/20/87/448712087.db2.gz FAUVLINBVGNSES-LJQANCHMSA-N 1 2 345.443 1.483 20 30 EDEDLO CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592150360 448712089 /nfs/dbraw/zinc/71/20/89/448712089.db2.gz FAUVLINBVGNSES-LJQANCHMSA-N 1 2 345.443 1.483 20 30 EDEDLO N#CCC1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000543774879 448748540 /nfs/dbraw/zinc/74/85/40/448748540.db2.gz QDFOSRMHJGCBMF-UHFFFAOYSA-N 1 2 343.431 1.753 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)C1=O ZINC000546664877 448837714 /nfs/dbraw/zinc/83/77/14/448837714.db2.gz VMFFEMWHAIPNSH-HNNXBMFYSA-N 1 2 326.400 1.431 20 30 EDEDLO N#CCCCCCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000588153496 448878634 /nfs/dbraw/zinc/87/86/34/448878634.db2.gz ZYYCYTZZJWHZHA-INIZCTEOSA-N 1 2 325.478 1.785 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CC(Cc3ccccc3)C2)nc1 ZINC000588963228 448954080 /nfs/dbraw/zinc/95/40/80/448954080.db2.gz JMIUCODWWRKZCP-UHFFFAOYSA-N 1 2 341.436 1.901 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ncc(C#N)cc2Cl)C1 ZINC000548351771 449032343 /nfs/dbraw/zinc/03/23/43/449032343.db2.gz ILOHGRQVUXRJSA-AWEZNQCLSA-N 1 2 348.834 1.789 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)c2ncc(C#N)cc2Cl)C1 ZINC000548351771 449032349 /nfs/dbraw/zinc/03/23/49/449032349.db2.gz ILOHGRQVUXRJSA-AWEZNQCLSA-N 1 2 348.834 1.789 20 30 EDEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000595612230 449079413 /nfs/dbraw/zinc/07/94/13/449079413.db2.gz UCJVQZDDTQKLMW-NSHDSACASA-N 1 2 346.343 1.888 20 30 EDEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000595612230 449079414 /nfs/dbraw/zinc/07/94/14/449079414.db2.gz UCJVQZDDTQKLMW-NSHDSACASA-N 1 2 346.343 1.888 20 30 EDEDLO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615171 449080119 /nfs/dbraw/zinc/08/01/19/449080119.db2.gz KEWNXCOCBPUZMB-UONOGXRCSA-N 1 2 326.400 1.986 20 30 EDEDLO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615171 449080121 /nfs/dbraw/zinc/08/01/21/449080121.db2.gz KEWNXCOCBPUZMB-UONOGXRCSA-N 1 2 326.400 1.986 20 30 EDEDLO CC(C)(C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1c[nH+]c[nH]1 ZINC000548414455 449038272 /nfs/dbraw/zinc/03/82/72/449038272.db2.gz CDXGFGWDZSIDQV-MRXNPFEDSA-N 1 2 337.427 1.924 20 30 EDEDLO COc1cc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc(OC)c1OC ZINC000582336031 449067407 /nfs/dbraw/zinc/06/74/07/449067407.db2.gz ALBDWNCJQZOGFK-QGZVFWFLSA-N 1 2 335.404 1.215 20 30 EDEDLO O=C(NCC#Cc1cccc(F)c1)NCC1([NH+]2CCOCC2)CC1 ZINC000548888165 449110429 /nfs/dbraw/zinc/11/04/29/449110429.db2.gz WAEFTHVHOGCYSD-UHFFFAOYSA-N 1 2 331.391 1.341 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(C3(O)CC3)CC2)c1 ZINC000593048369 449113369 /nfs/dbraw/zinc/11/33/69/449113369.db2.gz CTQOPULHNHNUSL-UHFFFAOYSA-N 1 2 334.441 1.569 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)nc1 ZINC000590416621 449152197 /nfs/dbraw/zinc/15/21/97/449152197.db2.gz DZPFWOUFTPWRDF-LSDHHAIUSA-N 1 2 337.383 1.392 20 30 EDEDLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842417 449201664 /nfs/dbraw/zinc/20/16/64/449201664.db2.gz ZQMIDHVPHIGCBV-QWQRMKEZSA-N 1 2 329.400 1.567 20 30 EDEDLO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842417 449201670 /nfs/dbraw/zinc/20/16/70/449201670.db2.gz ZQMIDHVPHIGCBV-QWQRMKEZSA-N 1 2 329.400 1.567 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597997525 449182240 /nfs/dbraw/zinc/18/22/40/449182240.db2.gz SRYSLIQRFNRERL-BZUAXINKSA-N 1 2 329.444 1.962 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597997525 449182247 /nfs/dbraw/zinc/18/22/47/449182247.db2.gz SRYSLIQRFNRERL-BZUAXINKSA-N 1 2 329.444 1.962 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N([C@@H](C)C#N)C1CC1 ZINC000598135325 449252695 /nfs/dbraw/zinc/25/26/95/449252695.db2.gz SKZWNPGJXVPFCZ-WFASDCNBSA-N 1 2 331.420 1.386 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N([C@@H](C)C#N)C1CC1 ZINC000598135325 449252698 /nfs/dbraw/zinc/25/26/98/449252698.db2.gz SKZWNPGJXVPFCZ-WFASDCNBSA-N 1 2 331.420 1.386 20 30 EDEDLO CC[N@H+](CC(=O)N(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000611515191 449317379 /nfs/dbraw/zinc/31/73/79/449317379.db2.gz JMTSZCMKIJEIRM-INIZCTEOSA-N 1 2 328.416 1.464 20 30 EDEDLO CC[N@@H+](CC(=O)N(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000611515191 449317386 /nfs/dbraw/zinc/31/73/86/449317386.db2.gz JMTSZCMKIJEIRM-INIZCTEOSA-N 1 2 328.416 1.464 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000594010664 449320686 /nfs/dbraw/zinc/32/06/86/449320686.db2.gz FOLYUQZAMLNCCT-OAHLLOKOSA-N 1 2 327.428 1.718 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000594056242 449341248 /nfs/dbraw/zinc/34/12/48/449341248.db2.gz SVFRDXSSEKBODF-UKRRQHHQSA-N 1 2 342.399 1.948 20 30 EDEDLO N#Cc1cccc(CCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000590940870 449351016 /nfs/dbraw/zinc/35/10/16/449351016.db2.gz FLCRFEFOLGBVOG-CALCHBBNSA-N 1 2 328.416 1.263 20 30 EDEDLO N#Cc1cccc(CCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000590940870 449351022 /nfs/dbraw/zinc/35/10/22/449351022.db2.gz FLCRFEFOLGBVOG-CALCHBBNSA-N 1 2 328.416 1.263 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600422276 449367514 /nfs/dbraw/zinc/36/75/14/449367514.db2.gz UILXJQFYMYRWEE-OAHLLOKOSA-N 1 2 347.415 1.173 20 30 EDEDLO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600422276 449367519 /nfs/dbraw/zinc/36/75/19/449367519.db2.gz UILXJQFYMYRWEE-OAHLLOKOSA-N 1 2 347.415 1.173 20 30 EDEDLO C[C@@H](C#N)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000596551453 449549253 /nfs/dbraw/zinc/54/92/53/449549253.db2.gz QBGANXQZEILIEZ-UAGQMJEPSA-N 1 2 328.416 1.441 20 30 EDEDLO C[C@@H](C#N)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000596551453 449549261 /nfs/dbraw/zinc/54/92/61/449549261.db2.gz QBGANXQZEILIEZ-UAGQMJEPSA-N 1 2 328.416 1.441 20 30 EDEDLO COC(=O)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H]1CCC[C@@H](OC)C1 ZINC000598621716 449498890 /nfs/dbraw/zinc/49/88/90/449498890.db2.gz BUBCVJQERCVQEK-KBUPBQIOSA-N 1 2 326.437 1.624 20 30 EDEDLO COc1cccc(-c2cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)on2)c1 ZINC000602331579 449520843 /nfs/dbraw/zinc/52/08/43/449520843.db2.gz FXMBTNMLEWLPOX-QGZVFWFLSA-N 1 2 328.372 1.924 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccnc4ccnn43)CC2)cc1 ZINC000598976387 449677027 /nfs/dbraw/zinc/67/70/27/449677027.db2.gz DBHLNMYCUDOGRH-UHFFFAOYSA-N 1 2 346.394 1.559 20 30 EDEDLO CO[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000599230290 449817387 /nfs/dbraw/zinc/81/73/87/449817387.db2.gz PEDKTPUYYCBQIB-KRWDZBQOSA-N 1 2 349.406 1.588 20 30 EDEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000599194662 449791017 /nfs/dbraw/zinc/79/10/17/449791017.db2.gz SQKOQYNOSCCWRW-WBVHZDCISA-N 1 2 328.416 1.565 20 30 EDEDLO C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000599194662 449791024 /nfs/dbraw/zinc/79/10/24/449791024.db2.gz SQKOQYNOSCCWRW-WBVHZDCISA-N 1 2 328.416 1.565 20 30 EDEDLO COC(=O)c1ccccc1NC(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855140 449862933 /nfs/dbraw/zinc/86/29/33/449862933.db2.gz SLJAVLQIUAOBLN-KBPBESRZSA-N 1 2 344.415 1.330 20 30 EDEDLO COc1ccccc1[C@H](C)NC(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856440 449864125 /nfs/dbraw/zinc/86/41/25/449864125.db2.gz JRMTZCKEWZYJBD-OAGGEKHMSA-N 1 2 344.459 1.791 20 30 EDEDLO C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858886 449867743 /nfs/dbraw/zinc/86/77/43/449867743.db2.gz VVAGIEHBKFACRD-ZNMIVQPWSA-N 1 2 332.423 1.749 20 30 EDEDLO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858886 449867748 /nfs/dbraw/zinc/86/77/48/449867748.db2.gz VVAGIEHBKFACRD-ZNMIVQPWSA-N 1 2 332.423 1.749 20 30 EDEDLO C[C@@H]1C[NH+](CC(=O)NCc2ccc(Cl)cc2)C[C@@H](C)N1CC#N ZINC000602859947 449869519 /nfs/dbraw/zinc/86/95/19/449869519.db2.gz HEXUDUCEIZGNBZ-ZIAGYGMSSA-N 1 2 334.851 1.874 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602865036 449874447 /nfs/dbraw/zinc/87/44/47/449874447.db2.gz SLRWZNZBISFWNF-QLFBSQMISA-N 1 2 349.479 1.452 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602865036 449874454 /nfs/dbraw/zinc/87/44/54/449874454.db2.gz SLRWZNZBISFWNF-QLFBSQMISA-N 1 2 349.479 1.452 20 30 EDEDLO CC(C)CN1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)[C@H](C)C1=O ZINC000599379853 449930950 /nfs/dbraw/zinc/93/09/50/449930950.db2.gz VESDXOBIYXFAHG-CVEARBPZSA-N 1 2 337.464 1.246 20 30 EDEDLO CC(C)CN1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)[C@H](C)C1=O ZINC000599379853 449930956 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EDEDLO C[C@@H](C(=O)OCCn1ncc(C#N)c1N)[N@@H+]1CCc2ccccc2C1 ZINC000760983571 580043434 /nfs/dbraw/zinc/04/34/34/580043434.db2.gz AXJLSRIZAOBPGB-ZDUSSCGKSA-N 1 2 339.399 1.327 20 30 EDEDLO C[C@@H](C(=O)OCCn1ncc(C#N)c1N)[N@H+]1CCc2ccccc2C1 ZINC000760983571 580043435 /nfs/dbraw/zinc/04/34/35/580043435.db2.gz AXJLSRIZAOBPGB-ZDUSSCGKSA-N 1 2 339.399 1.327 20 30 EDEDLO CC(=NNS(=O)(=O)C(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735613979 578904737 /nfs/dbraw/zinc/90/47/37/578904737.db2.gz OCZSTCVUNKQFKS-INIZCTEOSA-N 1 2 339.461 1.591 20 30 EDEDLO CC(=NNS(=O)(=O)C(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735613979 578904739 /nfs/dbraw/zinc/90/47/39/578904739.db2.gz OCZSTCVUNKQFKS-INIZCTEOSA-N 1 2 339.461 1.591 20 30 EDEDLO C=CCN1CC(=O)N(C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1=O ZINC000761129632 580049288 /nfs/dbraw/zinc/04/92/88/580049288.db2.gz WGUPTIBGAVGCLF-KRWDZBQOSA-N 1 2 343.427 1.819 20 30 EDEDLO CC[N@H+](CC(=O)NC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747524487 579647250 /nfs/dbraw/zinc/64/72/50/579647250.db2.gz MUOAYLCCPJEZRP-UHFFFAOYSA-N 1 2 330.432 1.618 20 30 EDEDLO CC[N@@H+](CC(=O)NC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747524487 579647251 /nfs/dbraw/zinc/64/72/51/579647251.db2.gz MUOAYLCCPJEZRP-UHFFFAOYSA-N 1 2 330.432 1.618 20 30 EDEDLO CC(C)(C#N)CS(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000777819835 580451283 /nfs/dbraw/zinc/45/12/83/580451283.db2.gz TUNZIEQHUDKDSY-UHFFFAOYSA-N 1 2 327.475 1.575 20 30 EDEDLO CC(C)(C#N)CS(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000777819835 580451284 /nfs/dbraw/zinc/45/12/84/580451284.db2.gz TUNZIEQHUDKDSY-UHFFFAOYSA-N 1 2 327.475 1.575 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000752356369 579846846 /nfs/dbraw/zinc/84/68/46/579846846.db2.gz VDTXJFGSBNSAPA-UHFFFAOYSA-N 1 2 338.367 1.196 20 30 EDEDLO C#CCOCCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000753376304 579878313 /nfs/dbraw/zinc/87/83/13/579878313.db2.gz FCXMQHBTYCMVRE-UHFFFAOYSA-N 1 2 331.416 1.172 20 30 EDEDLO C[C@H]1COCC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 ZINC000753996028 579893380 /nfs/dbraw/zinc/89/33/80/579893380.db2.gz XOBAARYVHZGWLQ-CQSZACIVSA-N 1 2 342.399 1.248 20 30 EDEDLO C[C@H]1COCC[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 ZINC000753996028 579893381 /nfs/dbraw/zinc/89/33/81/579893381.db2.gz XOBAARYVHZGWLQ-CQSZACIVSA-N 1 2 342.399 1.248 20 30 EDEDLO N#Cc1c(N2CCC[C@@H](n3cc[nH+]c3)C2)cccc1S(N)(=O)=O ZINC000754992723 579917662 /nfs/dbraw/zinc/91/76/62/579917662.db2.gz IAWMGRFZRLHVID-GFCCVEGCSA-N 1 2 331.401 1.244 20 30 EDEDLO CC[C@H](C#N)OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000766393642 580165936 /nfs/dbraw/zinc/16/59/36/580165936.db2.gz GIULGFLZWJREHX-CQSZACIVSA-N 1 2 330.388 1.356 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)Cc1cc(C(C)=O)cc(C[NH+]2CCOCC2)c1[O-] ZINC000766665064 580171384 /nfs/dbraw/zinc/17/13/84/580171384.db2.gz DMWATBWWXULBOX-CQSZACIVSA-N 1 2 330.428 1.881 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)Cc1cc(C(C)=O)cc(C[NH+]2CCOCC2)c1[O-] ZINC000766665064 580171385 /nfs/dbraw/zinc/17/13/85/580171385.db2.gz DMWATBWWXULBOX-CQSZACIVSA-N 1 2 330.428 1.881 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)[C@@H]1CCCO1 ZINC000773553842 580340971 /nfs/dbraw/zinc/34/09/71/580340971.db2.gz AUEJIFHFKJELBA-NJAFHUGGSA-N 1 2 342.443 1.651 20 30 EDEDLO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CC(=O)NCCC#N ZINC000773958600 580350295 /nfs/dbraw/zinc/35/02/95/580350295.db2.gz MEODOBAYAIAQLE-OAHLLOKOSA-N 1 2 337.427 1.775 20 30 EDEDLO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1CC(=O)NCCC#N ZINC000773958600 580350296 /nfs/dbraw/zinc/35/02/96/580350296.db2.gz MEODOBAYAIAQLE-OAHLLOKOSA-N 1 2 337.427 1.775 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000775631973 580395794 /nfs/dbraw/zinc/39/57/94/580395794.db2.gz LIJGWOARXKPPRP-HSZRJFAPSA-N 1 2 333.501 1.984 20 30 EDEDLO Cc1onc(CC(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)c1C#N ZINC000779521184 580487806 /nfs/dbraw/zinc/48/78/06/580487806.db2.gz SAACRDISYSWWCO-UHFFFAOYSA-N 1 2 347.444 1.423 20 30 EDEDLO C#CCCCCCC(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000780630693 580529639 /nfs/dbraw/zinc/52/96/39/580529639.db2.gz OBDXYORTVLGCHS-QGZVFWFLSA-N 1 2 333.476 1.725 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782005102 580563751 /nfs/dbraw/zinc/56/37/51/580563751.db2.gz YASMIWMBGWFNSA-AWEZNQCLSA-N 1 2 329.356 1.347 20 30 EDEDLO C[C@@H]1C[C@@H](CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000783029504 580592002 /nfs/dbraw/zinc/59/20/02/580592002.db2.gz NXWCURALMGTATD-WBVHZDCISA-N 1 2 347.459 1.971 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000783531974 580600987 /nfs/dbraw/zinc/60/09/87/580600987.db2.gz OGOIOVUTJMPGFN-INIZCTEOSA-N 1 2 337.420 1.839 20 30 EDEDLO Cn1ncc2c1nc(NN=Cc1cc(-n3cc[nH+]c3)cs1)[nH]c2=O ZINC000783845165 580607470 /nfs/dbraw/zinc/60/74/70/580607470.db2.gz BJPZDBISXRLPNB-UHFFFAOYSA-N 1 2 340.372 1.762 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)c(N(C)C)[nH+]1 ZINC000785071426 580635051 /nfs/dbraw/zinc/63/50/51/580635051.db2.gz FHECIDCOUWPBRS-QGZVFWFLSA-N 1 2 329.404 1.547 20 30 EDEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000785997426 580657948 /nfs/dbraw/zinc/65/79/48/580657948.db2.gz OBTGOHQAWNRBEU-FVRSWCFKSA-N 1 2 348.447 1.559 20 30 EDEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000785997426 580657949 /nfs/dbraw/zinc/65/79/49/580657949.db2.gz OBTGOHQAWNRBEU-FVRSWCFKSA-N 1 2 348.447 1.559 20 30 EDEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789379380 580743907 /nfs/dbraw/zinc/74/39/07/580743907.db2.gz OSJPDGZEPZNFBK-MRXNPFEDSA-N 1 2 348.790 1.416 20 30 EDEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000789379380 580743908 /nfs/dbraw/zinc/74/39/08/580743908.db2.gz OSJPDGZEPZNFBK-MRXNPFEDSA-N 1 2 348.790 1.416 20 30 EDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789525422 580748618 /nfs/dbraw/zinc/74/86/18/580748618.db2.gz NBSKEWDVVPUXSU-INIZCTEOSA-N 1 2 340.427 1.282 20 30 EDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789525422 580748619 /nfs/dbraw/zinc/74/86/19/580748619.db2.gz NBSKEWDVVPUXSU-INIZCTEOSA-N 1 2 340.427 1.282 20 30 EDEDLO CC(=NNc1[nH+]ccn1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000790305130 580766465 /nfs/dbraw/zinc/76/64/65/580766465.db2.gz AERYNQQDQDUZEH-UHFFFAOYSA-N 1 2 333.417 1.796 20 30 EDEDLO C=C(CO)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000791311311 580789102 /nfs/dbraw/zinc/78/91/02/580789102.db2.gz XBYOSHDAZKUEOL-HNNXBMFYSA-N 1 2 331.372 1.191 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC(=O)NC)cc1C ZINC000794410372 580891397 /nfs/dbraw/zinc/89/13/97/580891397.db2.gz XYXGMZDVCQSVFK-INIZCTEOSA-N 1 2 329.400 1.156 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC(=O)NC)cc1C ZINC000794410372 580891398 /nfs/dbraw/zinc/89/13/98/580891398.db2.gz XYXGMZDVCQSVFK-INIZCTEOSA-N 1 2 329.400 1.156 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc(O)cc3)C2)nc1 ZINC000794831713 580906612 /nfs/dbraw/zinc/90/66/12/580906612.db2.gz IEOIKOVYMNUEPF-INIZCTEOSA-N 1 2 338.367 1.751 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc(O)cc3)C2)nc1 ZINC000794831713 580906613 /nfs/dbraw/zinc/90/66/13/580906613.db2.gz IEOIKOVYMNUEPF-INIZCTEOSA-N 1 2 338.367 1.751 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCc2cccc(Cl)c2)CC1 ZINC000795806588 580938126 /nfs/dbraw/zinc/93/81/26/580938126.db2.gz XQHLLFBJDNPEGT-UHFFFAOYSA-N 1 2 340.876 1.853 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000795878157 580940131 /nfs/dbraw/zinc/94/01/31/580940131.db2.gz PJJKNPYEYMZLFK-ZWKOTPCHSA-N 1 2 327.428 1.865 20 30 EDEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cnc3cnccn23)C1 ZINC000798275795 580992909 /nfs/dbraw/zinc/99/29/09/580992909.db2.gz USQZABFIUKJOOH-GXTWGEPZSA-N 1 2 342.403 1.578 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000798355826 580995175 /nfs/dbraw/zinc/99/51/75/580995175.db2.gz IBRQTZVCCWBRFK-KRWDZBQOSA-N 1 2 326.400 1.505 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CN2C[C@@H](c3cccc(C)c3)CC2=O)C1=O ZINC000799142079 581018562 /nfs/dbraw/zinc/01/85/62/581018562.db2.gz JVKLEASDJVREPB-ROUUACIJSA-N 1 2 341.455 1.987 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CN2C[C@@H](c3cccc(C)c3)CC2=O)C1=O ZINC000799142079 581018563 /nfs/dbraw/zinc/01/85/63/581018563.db2.gz JVKLEASDJVREPB-ROUUACIJSA-N 1 2 341.455 1.987 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cn3)CC2)n1 ZINC000799320987 581025355 /nfs/dbraw/zinc/02/53/55/581025355.db2.gz PDRLGPWOLUKZQA-MRXNPFEDSA-N 1 2 327.363 1.343 20 30 EDEDLO CO[C@@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@H](C)C1 ZINC000799343666 581025974 /nfs/dbraw/zinc/02/59/74/581025974.db2.gz LVJLJBMOTIMVKI-ZIAGYGMSSA-N 1 2 326.400 1.919 20 30 EDEDLO CO[C@@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@H](C)C1 ZINC000799343666 581025975 /nfs/dbraw/zinc/02/59/75/581025975.db2.gz LVJLJBMOTIMVKI-ZIAGYGMSSA-N 1 2 326.400 1.919 20 30 EDEDLO CC[N@H+](CCOCCO)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000800430745 581052733 /nfs/dbraw/zinc/05/27/33/581052733.db2.gz SDLHNYYNDANFPK-CYBMUJFWSA-N 1 2 347.440 1.803 20 30 EDEDLO CC[N@@H+](CCOCCO)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000800430745 581052734 /nfs/dbraw/zinc/05/27/34/581052734.db2.gz SDLHNYYNDANFPK-CYBMUJFWSA-N 1 2 347.440 1.803 20 30 EDEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1cn(C)c[nH+]1 ZINC000800794301 581058565 /nfs/dbraw/zinc/05/85/65/581058565.db2.gz BKFAHBZQIHUFBB-AATRIKPKSA-N 1 2 336.417 1.174 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000801931106 581088458 /nfs/dbraw/zinc/08/84/58/581088458.db2.gz PHCQCNASVHLHKG-CQSZACIVSA-N 1 2 335.835 1.955 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+]2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000892040287 590766728 /nfs/dbraw/zinc/76/67/28/590766728.db2.gz ZZKUMDNZPXOACP-LZWOXQAQSA-N 1 2 334.464 1.962 20 30 EDEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CCN(C3CC3)[C@@H](C#N)C2)C1 ZINC000892040287 590766730 /nfs/dbraw/zinc/76/67/30/590766730.db2.gz ZZKUMDNZPXOACP-LZWOXQAQSA-N 1 2 334.464 1.962 20 30 EDEDLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2C)CC1 ZINC000892327665 590950514 /nfs/dbraw/zinc/95/05/14/590950514.db2.gz OVJTWVOFQGYECQ-MRXNPFEDSA-N 1 2 344.459 1.530 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc(Br)c[nH]1 ZINC000891394537 591066708 /nfs/dbraw/zinc/06/67/08/591066708.db2.gz FNHODTRPDVBAGS-UHFFFAOYSA-N 1 2 342.241 1.220 20 30 EDEDLO COc1cc(C)cc(CN(CCC#N)CC[NH+]2CCOCC2)c1O ZINC000893863739 591119577 /nfs/dbraw/zinc/11/95/77/591119577.db2.gz MQOJWBARHISUJV-UHFFFAOYSA-N 1 2 333.432 1.757 20 30 EDEDLO COc1cc(C)cc(C[N@H+](CCC#N)CCN2CCOCC2)c1O ZINC000893863739 591119578 /nfs/dbraw/zinc/11/95/78/591119578.db2.gz MQOJWBARHISUJV-UHFFFAOYSA-N 1 2 333.432 1.757 20 30 EDEDLO COc1cc(C)cc(C[N@@H+](CCC#N)CCN2CCOCC2)c1O ZINC000893863739 591119580 /nfs/dbraw/zinc/11/95/80/591119580.db2.gz MQOJWBARHISUJV-UHFFFAOYSA-N 1 2 333.432 1.757 20 30 EDEDLO COC(=O)[C@@H]1[C@H](C[NH+]2CCN(c3ccccc3C#N)CC2)C1(F)F ZINC000893920878 591139147 /nfs/dbraw/zinc/13/91/47/591139147.db2.gz DYMVEZQXWULJRK-ZFWWWQNUSA-N 1 2 335.354 1.735 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000891605769 591146574 /nfs/dbraw/zinc/14/65/74/591146574.db2.gz HUGULYYAKGYQTG-QGZVFWFLSA-N 1 2 325.412 1.328 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000891605769 591146578 /nfs/dbraw/zinc/14/65/78/591146578.db2.gz HUGULYYAKGYQTG-QGZVFWFLSA-N 1 2 325.412 1.328 20 30 EDEDLO C[C@]1(C#N)CN(C(=O)NCc2ccc[nH+]c2N2CCCC2)CCO1 ZINC000895662753 591243122 /nfs/dbraw/zinc/24/31/22/591243122.db2.gz MQWHPRIRAJCCHL-KRWDZBQOSA-N 1 2 329.404 1.506 20 30 EDEDLO Cc1nn(C)c(N2CCN(Cc3[nH]cc(C(C)C)[nH+]3)CC2)c1C#N ZINC000894538426 591337176 /nfs/dbraw/zinc/33/71/76/591337176.db2.gz KSUWIXZOMNPDMM-UHFFFAOYSA-N 1 2 327.436 1.769 20 30 EDEDLO C[C@@H](NC(=O)c1[nH]c2ccccc2c1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000896188237 591375467 /nfs/dbraw/zinc/37/54/67/591375467.db2.gz ZPYXDSOEQZPFBD-CHWSQXEVSA-N 1 2 326.400 1.879 20 30 EDEDLO C=C1CCC(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000896281867 591408289 /nfs/dbraw/zinc/40/82/89/591408289.db2.gz LADGSVIOYSHOOA-UHFFFAOYSA-N 1 2 328.478 1.358 20 30 EDEDLO CCc1[nH]c(C[NH+]2CCC(C#N)(C(=O)OC)CC2)cc1C(=O)OC ZINC000894900751 591465683 /nfs/dbraw/zinc/46/56/83/591465683.db2.gz OBRKQKAPKQSLHM-UHFFFAOYSA-N 1 2 333.388 1.642 20 30 EDEDLO Cn1nc2c(c1C[N@@H+]1CCO[C@H](c3ccc(C#N)cc3)C1)COCC2 ZINC000897596242 591575533 /nfs/dbraw/zinc/57/55/33/591575533.db2.gz OGXXVHZFBZTPBQ-IBGZPJMESA-N 1 2 338.411 1.938 20 30 EDEDLO Cn1nc2c(c1C[N@H+]1CCO[C@H](c3ccc(C#N)cc3)C1)COCC2 ZINC000897596242 591575534 /nfs/dbraw/zinc/57/55/34/591575534.db2.gz OGXXVHZFBZTPBQ-IBGZPJMESA-N 1 2 338.411 1.938 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CCO[C@@H](c3ccc(C#N)cc3)C2)nc[nH+]1 ZINC000896871526 591641445 /nfs/dbraw/zinc/64/14/45/591641445.db2.gz DQCVJNUDILBDGZ-CZUORRHYSA-N 1 2 339.399 1.719 20 30 EDEDLO C[C@@H](O)CNc1cc(N2CCO[C@@H](c3ccc(C#N)cc3)C2)[nH+]cn1 ZINC000896871526 591641447 /nfs/dbraw/zinc/64/14/47/591641447.db2.gz DQCVJNUDILBDGZ-CZUORRHYSA-N 1 2 339.399 1.719 20 30 EDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)[nH]n1 ZINC000899182752 591716870 /nfs/dbraw/zinc/71/68/70/591716870.db2.gz AGZHINVYYWEKRM-MAUKXSAKSA-N 1 2 335.411 1.945 20 30 EDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)[nH]n1 ZINC000899182752 591716873 /nfs/dbraw/zinc/71/68/73/591716873.db2.gz AGZHINVYYWEKRM-MAUKXSAKSA-N 1 2 335.411 1.945 20 30 EDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)n[nH]1 ZINC000899182752 591716874 /nfs/dbraw/zinc/71/68/74/591716874.db2.gz AGZHINVYYWEKRM-MAUKXSAKSA-N 1 2 335.411 1.945 20 30 EDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)n[nH]1 ZINC000899182752 591716877 /nfs/dbraw/zinc/71/68/77/591716877.db2.gz AGZHINVYYWEKRM-MAUKXSAKSA-N 1 2 335.411 1.945 20 30 EDEDLO N#Cc1csc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000897302633 591823368 /nfs/dbraw/zinc/82/33/68/591823368.db2.gz SLRXUXNOUXZPMF-UHFFFAOYSA-N 1 2 331.401 1.635 20 30 EDEDLO C[C@@H](NC(=O)c1ccccc1SCC#N)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900800426 592142596 /nfs/dbraw/zinc/14/25/96/592142596.db2.gz DQLGNCROEWSDIL-HIFRSBDPSA-N 1 2 332.473 1.666 20 30 EDEDLO C[C@@H](NC(=O)c1ccccc1SCC#N)[C@@H]1CN(C)CC[N@H+]1C ZINC000900800426 592142597 /nfs/dbraw/zinc/14/25/97/592142597.db2.gz DQLGNCROEWSDIL-HIFRSBDPSA-N 1 2 332.473 1.666 20 30 EDEDLO C[C@H]1CN(C(=O)C(F)(F)c2ccccc2C#N)C[C@@H]1[NH+]1CCOCC1 ZINC000900881401 592155428 /nfs/dbraw/zinc/15/54/28/592155428.db2.gz SYGQVUZTBAROBO-BBRMVZONSA-N 1 2 349.381 1.829 20 30 EDEDLO CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(C[C@H]2CC[N@@H+]2C)C1=O ZINC000901503609 592378256 /nfs/dbraw/zinc/37/82/56/592378256.db2.gz UECAYLGLCOGBIB-ZIAGYGMSSA-N 1 2 346.456 1.458 20 30 EDEDLO CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000901503609 592378261 /nfs/dbraw/zinc/37/82/61/592378261.db2.gz UECAYLGLCOGBIB-ZIAGYGMSSA-N 1 2 346.456 1.458 20 30 EDEDLO CNC(=O)CC1SC(=Nc2ccccc2)N(C[C@H]2CC[N@@H+]2C)C1=O ZINC000901503609 592378267 /nfs/dbraw/zinc/37/82/67/592378267.db2.gz UECAYLGLCOGBIB-ZIAGYGMSSA-N 1 2 346.456 1.458 20 30 EDEDLO CNC(=O)CC1SC(=Nc2ccccc2)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000901503609 592378273 /nfs/dbraw/zinc/37/82/73/592378273.db2.gz UECAYLGLCOGBIB-ZIAGYGMSSA-N 1 2 346.456 1.458 20 30 EDEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@]2(C#N)CC3CCC2CC3)CC1 ZINC000906877716 592379661 /nfs/dbraw/zinc/37/96/61/592379661.db2.gz AGNCBPBYZNABOV-QAVIERHMSA-N 1 2 347.459 1.802 20 30 EDEDLO Cc1nc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)ccc1C#N ZINC000905883932 592667177 /nfs/dbraw/zinc/66/71/77/592667177.db2.gz ZMODJSIUVRBGCG-CABCVRRESA-N 1 2 330.388 1.080 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000909025212 592717530 /nfs/dbraw/zinc/71/75/30/592717530.db2.gz QOPZCYOPLWNNGB-CWNHSUMWSA-N 1 2 328.412 1.713 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000909025212 592717534 /nfs/dbraw/zinc/71/75/34/592717534.db2.gz QOPZCYOPLWNNGB-CWNHSUMWSA-N 1 2 328.412 1.713 20 30 EDEDLO C/C(=C/C(=O)N[C@@H]1CCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000907822073 592805271 /nfs/dbraw/zinc/80/52/71/592805271.db2.gz SFZKGJUKWRMEGI-RXEWJAMOSA-N 1 2 325.412 1.940 20 30 EDEDLO Cc1cc(C#N)cc(C)c1CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000907835662 592810128 /nfs/dbraw/zinc/81/01/28/592810128.db2.gz KABPIKXIKOMBLV-INIZCTEOSA-N 1 2 329.444 1.897 20 30 EDEDLO Cc1ccc(C(=O)/C=C\C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000907835952 592810857 /nfs/dbraw/zinc/81/08/57/592810857.db2.gz LDMPPORGXKYJKJ-HLRDLLSLSA-N 1 2 330.428 1.913 20 30 EDEDLO N#CCCOCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838100859 593124698 /nfs/dbraw/zinc/12/46/98/593124698.db2.gz HCRBTHVVUNCQNS-UHFFFAOYSA-N 1 2 330.300 1.868 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C[C@@H]4CCC[C@@H]4C3=O)C2)nc1 ZINC000840078486 593124856 /nfs/dbraw/zinc/12/48/56/593124856.db2.gz PYXZSSHXIRYXCZ-XHSDSOJGSA-N 1 2 326.400 1.622 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C[C@@H]4CCC[C@@H]4C3=O)C2)nc1 ZINC000840078486 593124857 /nfs/dbraw/zinc/12/48/57/593124857.db2.gz PYXZSSHXIRYXCZ-XHSDSOJGSA-N 1 2 326.400 1.622 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCOC)CC1 ZINC000802397190 593249818 /nfs/dbraw/zinc/24/98/18/593249818.db2.gz CWDKZFBJCNXQMC-UHFFFAOYSA-N 1 2 340.431 1.050 20 30 EDEDLO C[C@@H](C#N)OCCON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000802730713 593273239 /nfs/dbraw/zinc/27/32/39/593273239.db2.gz YTYYRBAMQLLSTD-AWEZNQCLSA-N 1 2 332.404 1.084 20 30 EDEDLO CC(C)(C)OC(=O)CS(=O)(=O)CC[NH+]1CCC(CC#N)CC1 ZINC000808745265 593284916 /nfs/dbraw/zinc/28/49/16/593284916.db2.gz OKOZCVLKPBTRJP-UHFFFAOYSA-N 1 2 330.450 1.369 20 30 EDEDLO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2C[C@@H]3C[C@H]2CS3)C1=O ZINC000840167509 593328119 /nfs/dbraw/zinc/32/81/19/593328119.db2.gz ARRJEYNCXMHZFT-ZQIUZPCESA-N 1 2 342.424 1.472 20 30 EDEDLO C[C@@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2C[C@@H]3C[C@H]2CS3)C1=O ZINC000840167509 593328120 /nfs/dbraw/zinc/32/81/20/593328120.db2.gz ARRJEYNCXMHZFT-ZQIUZPCESA-N 1 2 342.424 1.472 20 30 EDEDLO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000839671980 593366909 /nfs/dbraw/zinc/36/69/09/593366909.db2.gz CSYPWMRLSIYYJL-KGLIPLIRSA-N 1 2 326.400 1.513 20 30 EDEDLO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000839671980 593366911 /nfs/dbraw/zinc/36/69/11/593366911.db2.gz CSYPWMRLSIYYJL-KGLIPLIRSA-N 1 2 326.400 1.513 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2c3c(cc4c2CCC4)CCC3)CC1 ZINC000811788320 593482370 /nfs/dbraw/zinc/48/23/70/593482370.db2.gz HECXIGIFWKDDRT-UHFFFAOYSA-N 1 2 337.467 1.853 20 30 EDEDLO O=C(N[C@@H]1CCCN(O)C1=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000816757113 593548900 /nfs/dbraw/zinc/54/89/00/593548900.db2.gz LWTXSXBGUGFSKD-CABCVRRESA-N 1 2 349.456 1.273 20 30 EDEDLO CCN(CC)S(=O)(=O)c1ccc(N[NH+]=Cc2ccncc2N)nc1 ZINC000819804454 593770336 /nfs/dbraw/zinc/77/03/36/593770336.db2.gz FCQXEFFWKUNQEY-UHFFFAOYSA-N 1 2 348.432 1.535 20 30 EDEDLO C#C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000820464620 593820473 /nfs/dbraw/zinc/82/04/73/593820473.db2.gz QOFJXMQCXCGVFX-MRXNPFEDSA-N 1 2 333.407 1.910 20 30 EDEDLO C#C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000820591181 593839686 /nfs/dbraw/zinc/83/96/86/593839686.db2.gz OOJBQTJTTRYZOV-ZWKOTPCHSA-N 1 2 327.428 1.867 20 30 EDEDLO C#CCOc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000820983113 593935558 /nfs/dbraw/zinc/93/55/58/593935558.db2.gz MPVGNAYCJMNRGV-MRXNPFEDSA-N 1 2 329.400 1.637 20 30 EDEDLO CON=C(C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1csc(N)n1 ZINC000822477456 594054253 /nfs/dbraw/zinc/05/42/53/594054253.db2.gz BDNKDWOETBKTNY-JTQLQIEISA-N 1 2 348.432 1.216 20 30 EDEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826551781 594523275 /nfs/dbraw/zinc/52/32/75/594523275.db2.gz PQIUEVTZEZKIAZ-WMZOPIPTSA-N 1 2 330.428 1.350 20 30 EDEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826551781 594523276 /nfs/dbraw/zinc/52/32/76/594523276.db2.gz PQIUEVTZEZKIAZ-WMZOPIPTSA-N 1 2 330.428 1.350 20 30 EDEDLO C=CCCOCC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826565704 594527974 /nfs/dbraw/zinc/52/79/74/594527974.db2.gz XNZSZZPJVRZBHX-SFHVURJKSA-N 1 2 332.444 1.905 20 30 EDEDLO C=CCCOCC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826565704 594527976 /nfs/dbraw/zinc/52/79/76/594527976.db2.gz XNZSZZPJVRZBHX-SFHVURJKSA-N 1 2 332.444 1.905 20 30 EDEDLO COc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)ccc1C#N ZINC000828955657 594537355 /nfs/dbraw/zinc/53/73/55/594537355.db2.gz OIBKWKWHTHVAGZ-INIZCTEOSA-N 1 2 329.400 1.504 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000840746246 594814259 /nfs/dbraw/zinc/81/42/59/594814259.db2.gz CAMDMBQFKFZEQU-KXKDPZRNSA-N 1 2 342.399 1.128 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000840746246 594814261 /nfs/dbraw/zinc/81/42/61/594814261.db2.gz CAMDMBQFKFZEQU-KXKDPZRNSA-N 1 2 342.399 1.128 20 30 EDEDLO C#CCCOc1ccc(C[NH+]2CCN(C(COC)COC)CC2)cc1 ZINC000840954407 594832308 /nfs/dbraw/zinc/83/23/08/594832308.db2.gz IZHWDZWOIKPQNB-UHFFFAOYSA-N 1 2 346.471 1.868 20 30 EDEDLO C#CC[C@H]1NC(=O)N(C[C@H](c2ccccc2)[NH+]2CCOCC2)C1=O ZINC000842236227 595048658 /nfs/dbraw/zinc/04/86/58/595048658.db2.gz MDSPCDLLMNBOSF-HZPDHXFCSA-N 1 2 327.384 1.004 20 30 EDEDLO C#CC[C@H]1NC(=O)N([C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1=O ZINC000842245820 595053034 /nfs/dbraw/zinc/05/30/34/595053034.db2.gz ZGMIVJINKFTASK-BLLLJJGKSA-N 1 2 347.365 1.873 20 30 EDEDLO C#CC[C@H]1NC(=O)N([C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1=O ZINC000842245820 595053036 /nfs/dbraw/zinc/05/30/36/595053036.db2.gz ZGMIVJINKFTASK-BLLLJJGKSA-N 1 2 347.365 1.873 20 30 EDEDLO O=C(C#CC1CC1)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000837391155 595098151 /nfs/dbraw/zinc/09/81/51/595098151.db2.gz DMGBOALPRLSRTE-UHFFFAOYSA-N 1 2 341.411 1.101 20 30 EDEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4cccc(F)n4)CC3)cnc12 ZINC000843412521 595105015 /nfs/dbraw/zinc/10/50/15/595105015.db2.gz WDADIRWNXYQXKR-UHFFFAOYSA-N 1 2 337.362 1.457 20 30 EDEDLO Cc1cc(C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)ncc1C#N ZINC000837429987 595108668 /nfs/dbraw/zinc/10/86/68/595108668.db2.gz JBPQODGTVSISBU-UHFFFAOYSA-N 1 2 343.456 1.901 20 30 EDEDLO COc1cc(C)ccc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000834919916 595238518 /nfs/dbraw/zinc/23/85/18/595238518.db2.gz LOHOHKKARHZHEY-UHFFFAOYSA-N 1 2 336.461 1.134 20 30 EDEDLO COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1cc(C)c(C#N)cn1 ZINC000842964911 595246802 /nfs/dbraw/zinc/24/68/02/595246802.db2.gz CWUZHTMGLFQLIX-UKRRQHHQSA-N 1 2 333.388 1.154 20 30 EDEDLO COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1cc(C)c(C#N)cn1 ZINC000842964911 595246807 /nfs/dbraw/zinc/24/68/07/595246807.db2.gz CWUZHTMGLFQLIX-UKRRQHHQSA-N 1 2 333.388 1.154 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000846617940 595287041 /nfs/dbraw/zinc/28/70/41/595287041.db2.gz YDNHHVGLOOFRCT-UHFFFAOYSA-N 1 2 345.443 1.102 20 30 EDEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848494823 595396119 /nfs/dbraw/zinc/39/61/19/595396119.db2.gz SROBYOANQWFHEM-SUMWQHHRSA-N 1 2 329.356 1.835 20 30 EDEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848494823 595396120 /nfs/dbraw/zinc/39/61/20/595396120.db2.gz SROBYOANQWFHEM-SUMWQHHRSA-N 1 2 329.356 1.835 20 30 EDEDLO COC(=O)c1ccc(N2CCC([N@H+](C)CC(F)F)CC2)c(C#N)n1 ZINC000848666972 595425287 /nfs/dbraw/zinc/42/52/87/595425287.db2.gz FFQPBNOCVXHFOY-UHFFFAOYSA-N 1 2 338.358 1.906 20 30 EDEDLO COC(=O)c1ccc(N2CCC([N@@H+](C)CC(F)F)CC2)c(C#N)n1 ZINC000848666972 595425288 /nfs/dbraw/zinc/42/52/88/595425288.db2.gz FFQPBNOCVXHFOY-UHFFFAOYSA-N 1 2 338.358 1.906 20 30 EDEDLO CCn1cc[nH+]c1CNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000845234599 595465667 /nfs/dbraw/zinc/46/56/67/595465667.db2.gz ZXCZLAGXZAJVCZ-OAHLLOKOSA-N 1 2 327.388 1.650 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N2CCC[C@H](CC#N)C2)c(N(C)C)[nH+]1 ZINC000850541550 595532009 /nfs/dbraw/zinc/53/20/09/595532009.db2.gz XSIQQLXZCJBQJX-CYBMUJFWSA-N 1 2 329.404 1.547 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C(C)(C)CO ZINC000855112273 595599232 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C=C(C)C[C@H](NC(C)=O)C(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000871422316 596578886 /nfs/dbraw/zinc/57/88/86/596578886.db2.gz MQHWUKNAXQBSTG-SJORKVTESA-N 1 2 342.443 1.864 20 30 EDEDLO CN1CCN(S(=O)(=O)c2cccc(F)c2C#N)Cc2ccc[nH+]c21 ZINC000867899845 596608158 /nfs/dbraw/zinc/60/81/58/596608158.db2.gz PIWMWUCMBDMEGG-UHFFFAOYSA-N 1 2 346.387 1.733 20 30 EDEDLO CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)c2cnccc2C#N)CC1 ZINC000871544104 596623399 /nfs/dbraw/zinc/62/33/99/596623399.db2.gz YQMYKKDRUIFWND-UHFFFAOYSA-N 1 2 344.415 1.489 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)cc1 ZINC000870096552 596749047 /nfs/dbraw/zinc/74/90/47/596749047.db2.gz PQYVBVZNHFUDSY-MRXNPFEDSA-N 1 2 335.411 1.666 20 30 EDEDLO C#CC[C@H](CO)NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000866106459 596790370 /nfs/dbraw/zinc/79/03/70/596790370.db2.gz IAJAZLKIRSAAAT-QWHCGFSZSA-N 1 2 336.461 1.881 20 30 EDEDLO C#CC[C@H](CO)NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000866106459 596790372 /nfs/dbraw/zinc/79/03/72/596790372.db2.gz IAJAZLKIRSAAAT-QWHCGFSZSA-N 1 2 336.461 1.881 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C=[NH+]NC(=S)NC[C@H]1CCCO1 ZINC000872329997 596881965 /nfs/dbraw/zinc/88/19/65/596881965.db2.gz CGMSGKBZLFTIHC-CQSZACIVSA-N 1 2 331.445 1.601 20 30 EDEDLO C=C(C)CONC(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@H]2C1 ZINC000875697675 596951084 /nfs/dbraw/zinc/95/10/84/596951084.db2.gz MFAJIORDCWZXSR-GJZGRUSLSA-N 1 2 332.404 1.708 20 30 EDEDLO Cc1cccc([C@H]2CC(=O)N(C[NH+]3CCN(CCC#N)CC3)C2)c1 ZINC000872733951 597051098 /nfs/dbraw/zinc/05/10/98/597051098.db2.gz SJMZQMKCTXHPMS-SFHVURJKSA-N 1 2 326.444 1.800 20 30 EDEDLO C[C@@]1(c2ccccc2)CC(=O)N(C[NH+]2CCN(CCC#N)CC2)C1 ZINC000872733976 597051284 /nfs/dbraw/zinc/05/12/84/597051284.db2.gz TUDICIGDXGOIKV-LJQANCHMSA-N 1 2 326.444 1.665 20 30 EDEDLO COCCNC(=O)C1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876560804 597241209 /nfs/dbraw/zinc/24/12/09/597241209.db2.gz NMJAUZUPHQAZLK-UHFFFAOYSA-N 1 2 336.823 1.581 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NCC(C)(C)CC#N ZINC000875406324 597415683 /nfs/dbraw/zinc/41/56/83/597415683.db2.gz SRXVUQSYSKAGNZ-HNNXBMFYSA-N 1 2 328.416 1.345 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)NCC(C)(C)CC#N ZINC000875406324 597415685 /nfs/dbraw/zinc/41/56/85/597415685.db2.gz SRXVUQSYSKAGNZ-HNNXBMFYSA-N 1 2 328.416 1.345 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CC[NH2+][C@H]3C)cc2[nH]c1=S ZINC000877112729 597435296 /nfs/dbraw/zinc/43/52/96/597435296.db2.gz XUVZSXPAFHNPDJ-GXFFZTMASA-N 1 2 344.440 1.351 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cnc3c(cnn3C)c2)n1 ZINC000877484828 597523446 /nfs/dbraw/zinc/52/34/46/597523446.db2.gz PTLYIVMSIGJMIP-UHFFFAOYSA-N 1 2 338.415 1.447 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cnc3c(cnn3C)c2)n1 ZINC000877484828 597523448 /nfs/dbraw/zinc/52/34/48/597523448.db2.gz PTLYIVMSIGJMIP-UHFFFAOYSA-N 1 2 338.415 1.447 20 30 EDEDLO C=CC[C@H](C(=O)OC)N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000877898513 597562743 /nfs/dbraw/zinc/56/27/43/597562743.db2.gz OWVAIBIJBSHVPM-QGZVFWFLSA-N 1 2 345.443 1.038 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCN(CCO)C(C)(C)C1)c1ccccc1 ZINC000878477704 597608199 /nfs/dbraw/zinc/60/81/99/597608199.db2.gz QKJUXTTXIOVYRQ-FQEVSTJZSA-N 1 2 343.471 1.816 20 30 EDEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCN(CCO)C(C)(C)C1)c1ccccc1 ZINC000878477704 597608200 /nfs/dbraw/zinc/60/82/00/597608200.db2.gz QKJUXTTXIOVYRQ-FQEVSTJZSA-N 1 2 343.471 1.816 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3CSC[C@H]3C2)nc1 ZINC000879565228 597633717 /nfs/dbraw/zinc/63/37/17/597633717.db2.gz MAOVROQYPZGSEF-UONOGXRCSA-N 1 2 337.470 1.412 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3CSC[C@H]3C2)nc1 ZINC000879565228 597633720 /nfs/dbraw/zinc/63/37/20/597633720.db2.gz MAOVROQYPZGSEF-UONOGXRCSA-N 1 2 337.470 1.412 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880055618 597824131 /nfs/dbraw/zinc/82/41/31/597824131.db2.gz BQWNANIAZFWNBB-DCAQKATOSA-N 1 2 337.342 1.428 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880055618 597824133 /nfs/dbraw/zinc/82/41/33/597824133.db2.gz BQWNANIAZFWNBB-DCAQKATOSA-N 1 2 337.342 1.428 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCNC(=O)CC12CCC2)C1(C#N)CCCCC1 ZINC000880172116 597865040 /nfs/dbraw/zinc/86/50/40/597865040.db2.gz SVEMISOTTLKGFZ-UHFFFAOYSA-N 1 2 332.448 1.416 20 30 EDEDLO CN(C(=O)C[N@H+]1CCNC(=O)CC12CCC2)C1(C#N)CCCCC1 ZINC000880172116 597865042 /nfs/dbraw/zinc/86/50/42/597865042.db2.gz SVEMISOTTLKGFZ-UHFFFAOYSA-N 1 2 332.448 1.416 20 30 EDEDLO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000880481873 597942482 /nfs/dbraw/zinc/94/24/82/597942482.db2.gz RBRYFJAIZQOIBK-ZDUSSCGKSA-N 1 2 331.372 1.772 20 30 EDEDLO C#CC[C@@H](CCOC)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000882465682 597967391 /nfs/dbraw/zinc/96/73/91/597967391.db2.gz ACANJAAYQOBVBD-HNNXBMFYSA-N 1 2 336.457 1.381 20 30 EDEDLO C#CC[C@@H](CCOC)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000882465682 597967394 /nfs/dbraw/zinc/96/73/94/597967394.db2.gz ACANJAAYQOBVBD-HNNXBMFYSA-N 1 2 336.457 1.381 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](OC)c1ccccc1Cl ZINC000884173772 598014505 /nfs/dbraw/zinc/01/45/05/598014505.db2.gz DAMAAKFYAPMMRS-UONOGXRCSA-N 1 2 340.807 1.590 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(CC2CC2)c2ccccc21 ZINC000884229048 598037533 /nfs/dbraw/zinc/03/75/33/598037533.db2.gz GLUHPHSHGXGVCF-HNNXBMFYSA-N 1 2 343.427 1.696 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCc2cc(OC)ccc21 ZINC000884317313 598064214 /nfs/dbraw/zinc/06/42/14/598064214.db2.gz QXNSRMKTDYXYLC-YOEHRIQHSA-N 1 2 346.427 1.678 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOC[C@H]1c1cccc(F)c1 ZINC000884409657 598096472 /nfs/dbraw/zinc/09/64/72/598096472.db2.gz OVNDKNRWVXLWIU-GJZGRUSLSA-N 1 2 336.363 1.172 20 30 EDEDLO C[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)C[C@@H](C)N1CC#N ZINC000914153390 695164189 /nfs/dbraw/zinc/16/41/89/695164189.db2.gz ABHSNGAFEIBWDD-HUUCEWRRSA-N 1 2 330.436 1.511 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4CCC[C@@H](NCC#N)[C@@H]4C3)ccn12 ZINC000992692291 695209927 /nfs/dbraw/zinc/20/99/27/695209927.db2.gz PBGVRNJQAQVSSH-GVDBMIGSSA-N 1 2 337.427 1.997 20 30 EDEDLO CC(C)(C#N)CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000914255587 695316403 /nfs/dbraw/zinc/31/64/03/695316403.db2.gz QPQHBVZZFQFUNW-ZIAGYGMSSA-N 1 2 329.466 1.099 20 30 EDEDLO Cc1conc1C[N@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000993175469 695729481 /nfs/dbraw/zinc/72/94/81/695729481.db2.gz ZIQLWLGABKYWLO-OCCSQVGLSA-N 1 2 327.388 1.966 20 30 EDEDLO Cc1conc1C[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1C ZINC000993175469 695729483 /nfs/dbraw/zinc/72/94/83/695729483.db2.gz ZIQLWLGABKYWLO-OCCSQVGLSA-N 1 2 327.388 1.966 20 30 EDEDLO CCn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000993210741 695808352 /nfs/dbraw/zinc/80/83/52/695808352.db2.gz VKWDIRVKRQCOBP-IUODEOHRSA-N 1 2 341.419 1.281 20 30 EDEDLO CCn1nncc1C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000993210741 695808357 /nfs/dbraw/zinc/80/83/57/695808357.db2.gz VKWDIRVKRQCOBP-IUODEOHRSA-N 1 2 341.419 1.281 20 30 EDEDLO Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)nn1C ZINC000993211560 695810101 /nfs/dbraw/zinc/81/01/01/695810101.db2.gz XUCDDJYHAIRJGJ-BBRMVZONSA-N 1 2 340.431 1.711 20 30 EDEDLO Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@@H]2C)nn1C ZINC000993211560 695810106 /nfs/dbraw/zinc/81/01/06/695810106.db2.gz XUCDDJYHAIRJGJ-BBRMVZONSA-N 1 2 340.431 1.711 20 30 EDEDLO C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000993215007 695817149 /nfs/dbraw/zinc/81/71/49/695817149.db2.gz BWWSXLFEQLHFGU-BEFAXECRSA-N 1 2 344.459 1.792 20 30 EDEDLO N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]23)cn1 ZINC001060535742 695835323 /nfs/dbraw/zinc/83/53/23/695835323.db2.gz SWVRXFRPLBYUFH-KBRIMQKVSA-N 1 2 336.399 1.499 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3csnc3C)C2)C1=O ZINC001007150064 695932494 /nfs/dbraw/zinc/93/24/94/695932494.db2.gz PYOCGXAXBPTZKF-HIFRSBDPSA-N 1 2 348.472 1.433 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3csnc3C)C2)C1=O ZINC001007150064 695932495 /nfs/dbraw/zinc/93/24/95/695932495.db2.gz PYOCGXAXBPTZKF-HIFRSBDPSA-N 1 2 348.472 1.433 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000993492829 696196423 /nfs/dbraw/zinc/19/64/23/696196423.db2.gz SCSOVBBSXBQNJJ-ZOCIIQOWSA-N 1 2 344.459 1.861 20 30 EDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993572507 696227113 /nfs/dbraw/zinc/22/71/13/696227113.db2.gz KYQQCWBLJJOTBY-DOTOQJQBSA-N 1 2 337.427 1.873 20 30 EDEDLO CC#CCN1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993572507 696227119 /nfs/dbraw/zinc/22/71/19/696227119.db2.gz KYQQCWBLJJOTBY-DOTOQJQBSA-N 1 2 337.427 1.873 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NC(=O)CC2CCC2)C1 ZINC000993629255 696292078 /nfs/dbraw/zinc/29/20/78/696292078.db2.gz BFVZQYBGMKKFLQ-NWANDNLSSA-N 1 2 343.431 1.181 20 30 EDEDLO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC000993817022 696389143 /nfs/dbraw/zinc/38/91/43/696389143.db2.gz BQRSJILDRQJBAO-NVXWUHKLSA-N 1 2 344.459 1.876 20 30 EDEDLO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC000993817022 696389146 /nfs/dbraw/zinc/38/91/46/696389146.db2.gz BQRSJILDRQJBAO-NVXWUHKLSA-N 1 2 344.459 1.876 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC2(C1)CC[NH+](Cc1nnnn1C)CC2 ZINC001040801933 696544231 /nfs/dbraw/zinc/54/42/31/696544231.db2.gz DYZDHALAHDEZGX-UHFFFAOYSA-N 1 2 332.452 1.237 20 30 EDEDLO C=CC[N@H+](CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000917071748 696910627 /nfs/dbraw/zinc/91/06/27/696910627.db2.gz YQZGYSAJZLSYKK-MRXNPFEDSA-N 1 2 342.505 1.841 20 30 EDEDLO C=CC[N@@H+](CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000917071748 696910628 /nfs/dbraw/zinc/91/06/28/696910628.db2.gz YQZGYSAJZLSYKK-MRXNPFEDSA-N 1 2 342.505 1.841 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)cc1 ZINC000994573775 697170411 /nfs/dbraw/zinc/17/04/11/697170411.db2.gz YWRHJVXRKCNHTA-INIZCTEOSA-N 1 2 348.406 1.068 20 30 EDEDLO C=CCOCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001060722142 697197936 /nfs/dbraw/zinc/19/79/36/697197936.db2.gz OZEIISYYLMAHBF-SHTZXODSSA-N 1 2 348.447 1.336 20 30 EDEDLO C=C1CCC(C(=O)N2CC(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC000994601820 697245065 /nfs/dbraw/zinc/24/50/65/697245065.db2.gz MRSYFEXNQXMYRU-OAHLLOKOSA-N 1 2 342.443 1.519 20 30 EDEDLO CC(C)C#CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001060728499 697246024 /nfs/dbraw/zinc/24/60/24/697246024.db2.gz LSKQWDYFVJEZKL-WKILWMFISA-N 1 2 344.459 1.413 20 30 EDEDLO COC(=O)[C@H]1C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031578013 697274458 /nfs/dbraw/zinc/27/44/58/697274458.db2.gz GEPJGCNRLUFWQC-GJZGRUSLSA-N 1 2 345.374 1.054 20 30 EDEDLO CC(C)(C)C#CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060731038 697275865 /nfs/dbraw/zinc/27/58/65/697275865.db2.gz KRJZJLLJKHMYAJ-SHTZXODSSA-N 1 2 344.459 1.793 20 30 EDEDLO Cc1[nH]nc(C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3F)C2)c1C ZINC001031589275 697287842 /nfs/dbraw/zinc/28/78/42/697287842.db2.gz ONNFATQOJWRXSL-UHFFFAOYSA-N 1 2 341.390 1.899 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3CCCCO3)C2)c1 ZINC001031618040 697335000 /nfs/dbraw/zinc/33/50/00/697335000.db2.gz XSDGSFWUEKKRTL-QGZVFWFLSA-N 1 2 331.391 1.814 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000994632806 697347503 /nfs/dbraw/zinc/34/75/03/697347503.db2.gz VJVMULKOQBENFN-SCLBCKFNSA-N 1 2 330.432 1.375 20 30 EDEDLO Cc1ccnc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001031641491 697392219 /nfs/dbraw/zinc/39/22/19/697392219.db2.gz FPJNWMSQUPIVMM-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO Cn1cc(C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)nn1 ZINC001031649493 697408251 /nfs/dbraw/zinc/40/82/51/697408251.db2.gz DCQISIXDZUQREZ-UHFFFAOYSA-N 1 2 343.818 1.182 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(OC)ccn2)C1 ZINC001031678203 697492814 /nfs/dbraw/zinc/49/28/14/697492814.db2.gz DHLCQVXVXHICOF-MSOLQXFVSA-N 1 2 345.443 1.619 20 30 EDEDLO N#Cc1sccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921321883 697550513 /nfs/dbraw/zinc/55/05/13/697550513.db2.gz LAEGCVCZDUQZIY-GHMZBOCLSA-N 1 2 343.499 1.478 20 30 EDEDLO N#Cc1sccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921321883 697550516 /nfs/dbraw/zinc/55/05/16/697550516.db2.gz LAEGCVCZDUQZIY-GHMZBOCLSA-N 1 2 343.499 1.478 20 30 EDEDLO COCc1cncc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1 ZINC001031739018 698300640 /nfs/dbraw/zinc/30/06/40/698300640.db2.gz RVOVWWKCAPAMCP-UHFFFAOYSA-N 1 2 349.434 1.941 20 30 EDEDLO CCn1cc(C(=O)NCC2C[NH+](Cc3ccc(F)c(C#N)c3)C2)nn1 ZINC001032081620 698356106 /nfs/dbraw/zinc/35/61/06/698356106.db2.gz TUGAWRASEGQCTB-UHFFFAOYSA-N 1 2 342.378 1.171 20 30 EDEDLO COc1cccc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)n1 ZINC001032096454 698638925 /nfs/dbraw/zinc/63/89/25/698638925.db2.gz GKHIYNASNPBGFB-UHFFFAOYSA-N 1 2 336.395 1.824 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000938779755 698681191 /nfs/dbraw/zinc/68/11/91/698681191.db2.gz GZYWZNVZSOHDIO-KRWDZBQOSA-N 1 2 336.395 1.238 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(F)cc2)C1)c1cn[nH]c(=O)c1 ZINC001031750931 698936625 /nfs/dbraw/zinc/93/66/25/698936625.db2.gz KBNCWGWXXRKLMC-UHFFFAOYSA-N 1 2 340.358 1.035 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)ccc3OC)CC2)C1 ZINC000941481460 701553624 /nfs/dbraw/zinc/55/36/24/701553624.db2.gz XZRXQHSZIOXWGX-UHFFFAOYSA-N 1 2 327.428 1.079 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cnc3ccccn3c2=O)C1 ZINC001031771801 699093685 /nfs/dbraw/zinc/09/36/85/699093685.db2.gz ISRSOJWRFLTOLG-UHFFFAOYSA-N 1 2 332.791 1.109 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)cc(F)cc3C)CC2)C1 ZINC000941513433 701566299 /nfs/dbraw/zinc/56/62/99/701566299.db2.gz CEKADWQTXHUDEO-UHFFFAOYSA-N 1 2 329.419 1.518 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3c(F)cccc3F)CC2)C1 ZINC000941541161 701570683 /nfs/dbraw/zinc/57/06/83/701570683.db2.gz WNQSTZWXWJLFCW-UHFFFAOYSA-N 1 2 347.409 1.359 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC(F)(F)C3)CC2)C1 ZINC000941564875 701584449 /nfs/dbraw/zinc/58/44/49/701584449.db2.gz NSGQVBORSHCKIJ-OAHLLOKOSA-N 1 2 339.430 1.664 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3cccs3)CC2)C1 ZINC000941590818 701585666 /nfs/dbraw/zinc/58/56/66/701585666.db2.gz VLIJWDIMLDWJIU-HNNXBMFYSA-N 1 2 331.485 1.388 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccsc3Cl)CC2)C1 ZINC000941595912 701587453 /nfs/dbraw/zinc/58/74/53/701587453.db2.gz RSIZSEYXKROENO-UHFFFAOYSA-N 1 2 337.876 1.867 20 30 EDEDLO C=C1CCC(C(=O)N2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000939475345 699607529 /nfs/dbraw/zinc/60/75/29/699607529.db2.gz QRPOSDSCZBQXPF-INIZCTEOSA-N 1 2 330.432 1.689 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccccc3OC)CC2)C1 ZINC000941660461 701608062 /nfs/dbraw/zinc/60/80/62/701608062.db2.gz MLSNRGIQTNULFC-UHFFFAOYSA-N 1 2 341.455 1.089 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)C1 ZINC000941651229 701611876 /nfs/dbraw/zinc/61/18/76/701611876.db2.gz YIFJYYNZGXRIRK-UHFFFAOYSA-N 1 2 349.837 1.483 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](F)Cc3ccccc3)CC2)C1 ZINC000941675117 701614850 /nfs/dbraw/zinc/61/48/50/701614850.db2.gz UKPFDEXXSGXFGE-SFHVURJKSA-N 1 2 329.419 1.029 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)C1 ZINC000945485567 700400601 /nfs/dbraw/zinc/40/06/01/700400601.db2.gz YXAPCTXYTBFJEA-UONOGXRCSA-N 1 2 330.432 1.662 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)nc1 ZINC000995064486 700473553 /nfs/dbraw/zinc/47/35/53/700473553.db2.gz PJKHVVKUTQJVLW-UHFFFAOYSA-N 1 2 345.362 1.194 20 30 EDEDLO C=CCn1cccc1C(=O)N1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000995073784 700610926 /nfs/dbraw/zinc/61/09/26/700610926.db2.gz ITKVEKJTXBOGJQ-UHFFFAOYSA-N 1 2 349.394 1.805 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC001031889826 700661183 /nfs/dbraw/zinc/66/11/83/700661183.db2.gz VTKVAPZKTDHUPZ-UHFFFAOYSA-N 1 2 341.883 1.682 20 30 EDEDLO Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCN(C(=O)[C@H](C)C#N)C3)ccn12 ZINC000940596879 700773624 /nfs/dbraw/zinc/77/36/24/700773624.db2.gz MFDLLYFKPKCEKA-BXUZGUMPSA-N 1 2 325.372 1.133 20 30 EDEDLO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCN(CC#N)CC2(C)C)[nH]n1 ZINC000940765421 700886169 /nfs/dbraw/zinc/88/61/69/700886169.db2.gz RGMIWWHUDXBWEE-HZPDHXFCSA-N 1 2 344.463 1.530 20 30 EDEDLO C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCN(CC#N)CC2(C)C)[nH]n1 ZINC000940765421 700886170 /nfs/dbraw/zinc/88/61/70/700886170.db2.gz RGMIWWHUDXBWEE-HZPDHXFCSA-N 1 2 344.463 1.530 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001031911754 700925194 /nfs/dbraw/zinc/92/51/94/700925194.db2.gz CYEGDCMJKAXJFX-PIIMJCKOSA-N 1 2 344.842 1.632 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)c2nonc2C)[C@@H](C)C1 ZINC000945944826 701303701 /nfs/dbraw/zinc/30/37/01/701303701.db2.gz VKTHYRIIQBPQJD-GZMMTYOYSA-N 1 2 343.225 1.727 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](NC(=O)c2nonc2C)[C@@H](C)C1 ZINC000945944826 701303702 /nfs/dbraw/zinc/30/37/02/701303702.db2.gz VKTHYRIIQBPQJD-GZMMTYOYSA-N 1 2 343.225 1.727 20 30 EDEDLO O=C(C#CC1CC1)N1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC000946001215 701354004 /nfs/dbraw/zinc/35/40/04/701354004.db2.gz ZJAMHONSSKDFJK-IAGOWNOFSA-N 1 2 340.427 1.136 20 30 EDEDLO N#Cc1ccc(C[NH+]2CC(N3CCN(C(=O)C#CC4CC4)CC3)C2)cc1 ZINC000941407839 701520576 /nfs/dbraw/zinc/52/05/76/701520576.db2.gz YQQPPBLMUQWKEZ-UHFFFAOYSA-N 1 2 348.450 1.300 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3conc3C(C)C)CC2)C1 ZINC000941437181 701540202 /nfs/dbraw/zinc/54/02/02/701540202.db2.gz VFKBGMGEONZSRU-UHFFFAOYSA-N 1 2 330.432 1.263 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccc(CC)n3)CC2)C1 ZINC000941440853 701541850 /nfs/dbraw/zinc/54/18/50/701541850.db2.gz VCSNZELLWBJDHR-UHFFFAOYSA-N 1 2 326.444 1.109 20 30 EDEDLO C=C1CCC(C(=O)NCC2C[NH+](Cc3ccnc(OC)n3)C2)CC1 ZINC001031952048 701543077 /nfs/dbraw/zinc/54/30/77/701543077.db2.gz WKKQJGWLJNTLKH-UHFFFAOYSA-N 1 2 330.432 1.780 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(C)c(F)cc3F)CC2)C1 ZINC000941447555 701545786 /nfs/dbraw/zinc/54/57/86/701545786.db2.gz YVEJZUFKVYHKJJ-UHFFFAOYSA-N 1 2 333.382 1.348 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(F)cc4ccoc43)CC2)C1 ZINC000941468118 701549192 /nfs/dbraw/zinc/54/91/92/701549192.db2.gz NLAJNPQYJMUEOF-UHFFFAOYSA-N 1 2 341.386 1.647 20 30 EDEDLO CCn1cnc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)c1 ZINC001032132304 701865640 /nfs/dbraw/zinc/86/56/40/701865640.db2.gz SVSDCFLKPFRMLB-UHFFFAOYSA-N 1 2 329.429 1.698 20 30 EDEDLO C#CCOc1ncccc1C(=O)NCC1C[NH+](Cc2conc2C)C1 ZINC001032136370 701900100 /nfs/dbraw/zinc/90/01/00/701900100.db2.gz NNVBYUMRYMGICW-UHFFFAOYSA-N 1 2 340.383 1.252 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3snnc3C)C2)nc1 ZINC001032137148 701902063 /nfs/dbraw/zinc/90/20/63/701902063.db2.gz LRZMAMNAQGHYFW-UHFFFAOYSA-N 1 2 327.413 1.085 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047464 702013734 /nfs/dbraw/zinc/01/37/34/702013734.db2.gz SBKXKWAWFZIUQJ-CJNGLKHVSA-N 1 2 338.415 1.246 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047464 702013739 /nfs/dbraw/zinc/01/37/39/702013739.db2.gz SBKXKWAWFZIUQJ-CJNGLKHVSA-N 1 2 338.415 1.246 20 30 EDEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC000941931974 702164796 /nfs/dbraw/zinc/16/47/96/702164796.db2.gz RGNFQSSTKIUFMT-OAHLLOKOSA-N 1 2 330.432 1.724 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C)C1 ZINC001032207956 702298195 /nfs/dbraw/zinc/29/81/95/702298195.db2.gz GFZCNBAQJWDPJT-UHFFFAOYSA-N 1 2 334.807 1.693 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)C[C@@H]2C)nc1 ZINC000944192431 702484242 /nfs/dbraw/zinc/48/42/42/702484242.db2.gz LPBPOKUIVRKTHL-HOCLYGCPSA-N 1 2 335.411 1.493 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ncccn3)C[C@@H]2C)nc1 ZINC000944192431 702484244 /nfs/dbraw/zinc/48/42/44/702484244.db2.gz LPBPOKUIVRKTHL-HOCLYGCPSA-N 1 2 335.411 1.493 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)C[C@@H]2C)cn1 ZINC000944215017 702545317 /nfs/dbraw/zinc/54/53/17/702545317.db2.gz PSOMELDJWOMFDC-BLLLJJGKSA-N 1 2 325.372 1.086 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)C[C@@H]2C)cn1 ZINC000944215017 702545320 /nfs/dbraw/zinc/54/53/20/702545320.db2.gz PSOMELDJWOMFDC-BLLLJJGKSA-N 1 2 325.372 1.086 20 30 EDEDLO Cc1nn[nH]c1C(=O)N1C[C@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1 ZINC000996117954 702546647 /nfs/dbraw/zinc/54/66/47/702546647.db2.gz HBXGPCUUQHRKFH-HNNXBMFYSA-N 1 2 338.415 1.625 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)[C@@H](C)C1 ZINC000942150612 702660487 /nfs/dbraw/zinc/66/04/87/702660487.db2.gz DPDYUKYCYWIILG-NHYWBVRUSA-N 1 2 337.851 1.886 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)[C@@H](C)C1 ZINC000942150612 702660490 /nfs/dbraw/zinc/66/04/90/702660490.db2.gz DPDYUKYCYWIILG-NHYWBVRUSA-N 1 2 337.851 1.886 20 30 EDEDLO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3cc(C)ns3)C2)nn1 ZINC001032042180 703227481 /nfs/dbraw/zinc/22/74/81/703227481.db2.gz RVOFOMFJBATSPU-UHFFFAOYSA-N 1 2 346.460 1.481 20 30 EDEDLO O=C(CCc1ccncn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032428908 703592989 /nfs/dbraw/zinc/59/29/89/703592989.db2.gz SLOHKDORPYANKI-PMACEKPBSA-N 1 2 346.434 1.746 20 30 EDEDLO O=C(CCc1ccncn1)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032428908 703592990 /nfs/dbraw/zinc/59/29/90/703592990.db2.gz SLOHKDORPYANKI-PMACEKPBSA-N 1 2 346.434 1.746 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCO[C@H]1c1nccn1C ZINC001032454843 703631796 /nfs/dbraw/zinc/63/17/96/703631796.db2.gz MCPPDIPJKLJYCE-MWDXBVQZSA-N 1 2 342.443 1.196 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCO[C@H]1c1nccn1C ZINC001032454843 703631798 /nfs/dbraw/zinc/63/17/98/703631798.db2.gz MCPPDIPJKLJYCE-MWDXBVQZSA-N 1 2 342.443 1.196 20 30 EDEDLO C[C@H](NC(=O)c1ccc(C#N)[nH]1)C1CC[NH+](Cc2nncs2)CC1 ZINC000997548810 703812573 /nfs/dbraw/zinc/81/25/73/703812573.db2.gz CCJMXAWIYFOMCM-NSHDSACASA-N 1 2 344.444 1.768 20 30 EDEDLO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033061049 703956361 /nfs/dbraw/zinc/95/63/61/703956361.db2.gz CRHIPAVHHGAKHD-AWEZNQCLSA-N 1 2 342.378 1.172 20 30 EDEDLO CN(C(=O)c1ncn(C)n1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033061049 703956365 /nfs/dbraw/zinc/95/63/65/703956365.db2.gz CRHIPAVHHGAKHD-AWEZNQCLSA-N 1 2 342.378 1.172 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001033086387 704151387 /nfs/dbraw/zinc/15/13/87/704151387.db2.gz GPLLJKZZZFWTOL-BBWFWOEESA-N 1 2 346.475 1.917 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001033086387 704151388 /nfs/dbraw/zinc/15/13/88/704151388.db2.gz GPLLJKZZZFWTOL-BBWFWOEESA-N 1 2 346.475 1.917 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000946589489 704177551 /nfs/dbraw/zinc/17/75/51/704177551.db2.gz BPZIAFMYBLGJDU-CABCVRRESA-N 1 2 346.431 1.041 20 30 EDEDLO CN(C)c1cnc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004438431 704430419 /nfs/dbraw/zinc/43/04/19/704430419.db2.gz PTIWXCAPDCWSSW-MRXNPFEDSA-N 1 2 342.447 1.383 20 30 EDEDLO CN(C)c1cnc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004438431 704430421 /nfs/dbraw/zinc/43/04/21/704430421.db2.gz PTIWXCAPDCWSSW-MRXNPFEDSA-N 1 2 342.447 1.383 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccnc3[nH]cnc32)CC1 ZINC001004447538 704432188 /nfs/dbraw/zinc/43/21/88/704432188.db2.gz TWQRLWFYVYGKLS-OAHLLOKOSA-N 1 2 338.415 1.798 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccnc3[nH]cnc32)CC1 ZINC001004447538 704432189 /nfs/dbraw/zinc/43/21/89/704432189.db2.gz TWQRLWFYVYGKLS-OAHLLOKOSA-N 1 2 338.415 1.798 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnn3ncccc23)CC1 ZINC001004456743 704450056 /nfs/dbraw/zinc/45/00/56/704450056.db2.gz HMFLKEDKXRFVAY-MRXNPFEDSA-N 1 2 338.415 1.569 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnn3ncccc23)CC1 ZINC001004456743 704450057 /nfs/dbraw/zinc/45/00/57/704450057.db2.gz HMFLKEDKXRFVAY-MRXNPFEDSA-N 1 2 338.415 1.569 20 30 EDEDLO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC000997800296 704712459 /nfs/dbraw/zinc/71/24/59/704712459.db2.gz CYWOGTLBEUHKAP-NPCUJANDSA-N 1 2 338.411 1.175 20 30 EDEDLO O=C(C#CC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC000997800296 704712461 /nfs/dbraw/zinc/71/24/61/704712461.db2.gz CYWOGTLBEUHKAP-NPCUJANDSA-N 1 2 338.411 1.175 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC000944938243 704777172 /nfs/dbraw/zinc/77/71/72/704777172.db2.gz QOQHALWAKAWEFT-GJZGRUSLSA-N 1 2 343.431 1.445 20 30 EDEDLO Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)CC2(C)C)o1 ZINC000995691385 705542738 /nfs/dbraw/zinc/54/27/38/705542738.db2.gz URMIWQGTOUNHMV-IINYFYTJSA-N 1 2 342.403 1.779 20 30 EDEDLO C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(C)oc2C)C1 ZINC000998929266 706357556 /nfs/dbraw/zinc/35/75/56/706357556.db2.gz QOBAPVZSEWTJAV-HTWSVDAQSA-N 1 2 344.459 1.468 20 30 EDEDLO CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC000998961983 706381689 /nfs/dbraw/zinc/38/16/89/706381689.db2.gz PUMHORHOBAINCQ-GFCCVEGCSA-N 1 2 328.376 1.226 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)C2CC([NH2+]Cc3nnn(C(C)(C)C)n3)C2)C1 ZINC000999374229 706868712 /nfs/dbraw/zinc/86/87/12/706868712.db2.gz NSZQQHMSVNJWFG-UHFFFAOYSA-N 1 2 346.479 1.863 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001033295040 707420462 /nfs/dbraw/zinc/42/04/62/707420462.db2.gz QPCNKYKRTFCQAH-LJISPDSOSA-N 1 2 328.840 1.323 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001033295040 707420464 /nfs/dbraw/zinc/42/04/64/707420464.db2.gz QPCNKYKRTFCQAH-LJISPDSOSA-N 1 2 328.840 1.323 20 30 EDEDLO CN(C(=O)[C@@]1(F)CCOC1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033371612 707706833 /nfs/dbraw/zinc/70/68/33/707706833.db2.gz WGFPFEFHEKNEBS-MAUKXSAKSA-N 1 2 349.381 1.859 20 30 EDEDLO CN(C(=O)[C@@]1(F)CCOC1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033371612 707706834 /nfs/dbraw/zinc/70/68/34/707706834.db2.gz WGFPFEFHEKNEBS-MAUKXSAKSA-N 1 2 349.381 1.859 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cncc(F)c3)C2)nn1 ZINC001033486811 707955681 /nfs/dbraw/zinc/95/56/81/707955681.db2.gz OWCFCZNQVCRLHV-OAHLLOKOSA-N 1 2 344.394 1.345 20 30 EDEDLO C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncc(F)c3)C2)nn1 ZINC001033486811 707955684 /nfs/dbraw/zinc/95/56/84/707955684.db2.gz OWCFCZNQVCRLHV-OAHLLOKOSA-N 1 2 344.394 1.345 20 30 EDEDLO Cc1cc(C#N)nc(NC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC001060955607 708047306 /nfs/dbraw/zinc/04/73/06/708047306.db2.gz UXHNTANHDYLKCX-CQSZACIVSA-N 1 2 339.403 1.204 20 30 EDEDLO C#CCCCC(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001060985252 708091559 /nfs/dbraw/zinc/09/15/59/708091559.db2.gz BWBRFLZLHOVRSJ-UHFFFAOYSA-N 1 2 342.443 1.217 20 30 EDEDLO CN(C(=O)c1cnon1)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033520199 708125615 /nfs/dbraw/zinc/12/56/15/708125615.db2.gz AHQPNIWMBUZFQK-CYBMUJFWSA-N 1 2 329.335 1.427 20 30 EDEDLO CN(C(=O)c1cnon1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033520199 708125618 /nfs/dbraw/zinc/12/56/18/708125618.db2.gz AHQPNIWMBUZFQK-CYBMUJFWSA-N 1 2 329.335 1.427 20 30 EDEDLO N#Cc1c(F)cccc1NC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060997916 708131794 /nfs/dbraw/zinc/13/17/94/708131794.db2.gz PXBKXZVARDXGKC-GFCCVEGCSA-N 1 2 327.363 1.924 20 30 EDEDLO CN(C(=O)c1ncccn1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033526054 708141112 /nfs/dbraw/zinc/14/11/12/708141112.db2.gz MHWAMMITYSBEHT-HNNXBMFYSA-N 1 2 339.374 1.834 20 30 EDEDLO CN(C(=O)c1ncccn1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033526054 708141115 /nfs/dbraw/zinc/14/11/15/708141115.db2.gz MHWAMMITYSBEHT-HNNXBMFYSA-N 1 2 339.374 1.834 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cncn3)n2)C1 ZINC001033541683 708199751 /nfs/dbraw/zinc/19/97/51/708199751.db2.gz VQJCIRLNHKKTSL-CYBMUJFWSA-N 1 2 346.822 1.561 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cncn3)n2)C1 ZINC001033541683 708199753 /nfs/dbraw/zinc/19/97/53/708199753.db2.gz VQJCIRLNHKKTSL-CYBMUJFWSA-N 1 2 346.822 1.561 20 30 EDEDLO N#Cc1nccnc1NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001061021826 708248809 /nfs/dbraw/zinc/24/88/09/708248809.db2.gz ODSKORBWEMTVTE-YNEHKIRRSA-N 1 2 337.387 1.135 20 30 EDEDLO N#Cc1nccnc1NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001061021826 708248811 /nfs/dbraw/zinc/24/88/11/708248811.db2.gz ODSKORBWEMTVTE-YNEHKIRRSA-N 1 2 337.387 1.135 20 30 EDEDLO N#Cc1cccnc1NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001061022092 708252249 /nfs/dbraw/zinc/25/22/49/708252249.db2.gz UDRKGMSBJBWQHU-NWANDNLSSA-N 1 2 336.399 1.740 20 30 EDEDLO N#Cc1cccnc1NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001061022092 708252252 /nfs/dbraw/zinc/25/22/52/708252252.db2.gz UDRKGMSBJBWQHU-NWANDNLSSA-N 1 2 336.399 1.740 20 30 EDEDLO N#Cc1nccnc1NC[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001061026133 708302966 /nfs/dbraw/zinc/30/29/66/708302966.db2.gz ZQZUCFJGOCJMDC-LBPRGKRZSA-N 1 2 347.382 1.799 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnc(C)nc3)C2)cn1 ZINC001033600207 708318718 /nfs/dbraw/zinc/31/87/18/708318718.db2.gz ZEHGEPUZBAXTBA-GOSISDBHSA-N 1 2 335.411 1.508 20 30 EDEDLO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)cn1 ZINC001033600207 708318721 /nfs/dbraw/zinc/31/87/21/708318721.db2.gz ZEHGEPUZBAXTBA-GOSISDBHSA-N 1 2 335.411 1.508 20 30 EDEDLO N#Cc1nccnc1N1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001061679863 708416824 /nfs/dbraw/zinc/41/68/24/708416824.db2.gz AHVFAPJCRWZAOX-ZDUSSCGKSA-N 1 2 347.382 1.252 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2noc3c2COCC3)C1 ZINC001033678609 708487584 /nfs/dbraw/zinc/48/75/84/708487584.db2.gz HBKRTEREUNZSCH-NSHDSACASA-N 1 2 325.796 1.646 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2noc3c2COCC3)C1 ZINC001033678609 708487585 /nfs/dbraw/zinc/48/75/85/708487585.db2.gz HBKRTEREUNZSCH-NSHDSACASA-N 1 2 325.796 1.646 20 30 EDEDLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCN(Cc2cc(F)ccc2C#N)C1 ZINC001033705516 708535569 /nfs/dbraw/zinc/53/55/69/708535569.db2.gz HPIVVVKPLMGXRG-KRWDZBQOSA-N 1 2 341.390 1.627 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](N(CC)C(=O)c3ccns3)C2)C1=O ZINC001033845136 708889875 /nfs/dbraw/zinc/88/98/75/708889875.db2.gz FVDAICFMWKFEHV-KBPBESRZSA-N 1 2 348.472 1.466 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@H](N(CC)C(=O)c3ccns3)C2)C1=O ZINC001033845136 708889878 /nfs/dbraw/zinc/88/98/78/708889878.db2.gz FVDAICFMWKFEHV-KBPBESRZSA-N 1 2 348.472 1.466 20 30 EDEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001061086552 708933368 /nfs/dbraw/zinc/93/33/68/708933368.db2.gz NBZCXWCTGJNADV-HOTGVXAUSA-N 1 2 344.459 1.792 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2ccnc3n[nH]nc32)C1 ZINC001033893976 709009658 /nfs/dbraw/zinc/00/96/58/709009658.db2.gz CRHTYTHAVMWACK-NSHDSACASA-N 1 2 334.811 1.642 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnc3n[nH]nc32)C1 ZINC001033893976 709009660 /nfs/dbraw/zinc/00/96/60/709009660.db2.gz CRHTYTHAVMWACK-NSHDSACASA-N 1 2 334.811 1.642 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2coc(C(N)=O)c2)C1 ZINC001033904670 709032589 /nfs/dbraw/zinc/03/25/89/709032589.db2.gz BDOYZJCDEUKKID-LBPRGKRZSA-N 1 2 325.796 1.667 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2coc(C(N)=O)c2)C1 ZINC001033904670 709032592 /nfs/dbraw/zinc/03/25/92/709032592.db2.gz BDOYZJCDEUKKID-LBPRGKRZSA-N 1 2 325.796 1.667 20 30 EDEDLO CC(C)C#CC(=O)N1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001061145460 709383065 /nfs/dbraw/zinc/38/30/65/709383065.db2.gz MJEXZRKJSOQKMB-UHFFFAOYSA-N 1 2 328.416 1.063 20 30 EDEDLO Cc1nnc([C@@H](C)[N@@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001034166459 709440139 /nfs/dbraw/zinc/44/01/39/709440139.db2.gz XORSHZQFDODXJI-RISCZKNCSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1nnc([C@@H](C)[N@H+]2CCCC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)o1 ZINC001034166459 709440142 /nfs/dbraw/zinc/44/01/42/709440142.db2.gz XORSHZQFDODXJI-RISCZKNCSA-N 1 2 342.403 1.923 20 30 EDEDLO COc1cc(C[N@@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001034171194 709484779 /nfs/dbraw/zinc/48/47/79/709484779.db2.gz KSBRHFKTLWTQCM-ZDUSSCGKSA-N 1 2 343.387 1.667 20 30 EDEDLO COc1cc(C[N@H+]2CCCC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001034171194 709484783 /nfs/dbraw/zinc/48/47/83/709484783.db2.gz KSBRHFKTLWTQCM-ZDUSSCGKSA-N 1 2 343.387 1.667 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001034201604 709549593 /nfs/dbraw/zinc/54/95/93/709549593.db2.gz XNFLDUAFFQMIRP-CYBMUJFWSA-N 1 2 341.843 1.261 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cn(CCOC)nn2)C1 ZINC001034201604 709549596 /nfs/dbraw/zinc/54/95/96/709549596.db2.gz XNFLDUAFFQMIRP-CYBMUJFWSA-N 1 2 341.843 1.261 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCS(C)(=O)=O)C2)CC1 ZINC001034375640 709869954 /nfs/dbraw/zinc/86/99/54/709869954.db2.gz CQBTUKCDUDMBST-INIZCTEOSA-N 1 2 342.505 1.748 20 30 EDEDLO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](CCS(C)(=O)=O)C2)CC1 ZINC001034375640 709869959 /nfs/dbraw/zinc/86/99/59/709869959.db2.gz CQBTUKCDUDMBST-INIZCTEOSA-N 1 2 342.505 1.748 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001034363143 709880090 /nfs/dbraw/zinc/88/00/90/709880090.db2.gz LSXNINQQMXZIAV-GXTWGEPZSA-N 1 2 349.244 1.994 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001034363143 709880096 /nfs/dbraw/zinc/88/00/96/709880096.db2.gz LSXNINQQMXZIAV-GXTWGEPZSA-N 1 2 349.244 1.994 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 ZINC001034429263 709967277 /nfs/dbraw/zinc/96/72/77/709967277.db2.gz LFOHMPCCQVYKNS-UKRRQHHQSA-N 1 2 341.883 1.968 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](C)C2)C1 ZINC001034429263 709967284 /nfs/dbraw/zinc/96/72/84/709967284.db2.gz LFOHMPCCQVYKNS-UKRRQHHQSA-N 1 2 341.883 1.968 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@]2(C)CNC(=O)C2)CC1 ZINC001003363279 710284387 /nfs/dbraw/zinc/28/43/87/710284387.db2.gz DMIYPUVOBFHTSE-AWEZNQCLSA-N 1 2 344.253 1.002 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)C#N)c[nH+]1 ZINC001003699849 710494354 /nfs/dbraw/zinc/49/43/54/710494354.db2.gz IJQUESQXMPYUQW-MYPMTAMASA-N 1 2 343.431 1.334 20 30 EDEDLO C=CCn1cc(C(=O)NC2CC[NH+](Cc3ncc(CC)o3)CC2)nn1 ZINC001003758655 710530967 /nfs/dbraw/zinc/53/09/67/710530967.db2.gz DDWSYJWEHPONNX-UHFFFAOYSA-N 1 2 344.419 1.409 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001033011901 711243220 /nfs/dbraw/zinc/24/32/20/711243220.db2.gz QJJKXTNWIDXOHS-NWDGAFQWSA-N 1 2 345.237 1.381 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001033011901 711243224 /nfs/dbraw/zinc/24/32/24/711243224.db2.gz QJJKXTNWIDXOHS-NWDGAFQWSA-N 1 2 345.237 1.381 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)c3nncn3C)CC2)nc1 ZINC001004005708 711248925 /nfs/dbraw/zinc/24/89/25/711248925.db2.gz WMQHZXAIPUMOFB-CYBMUJFWSA-N 1 2 338.415 1.147 20 30 EDEDLO COc1nccc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001033023027 711362071 /nfs/dbraw/zinc/36/20/71/711362071.db2.gz MACMRESBYPLGSD-OAHLLOKOSA-N 1 2 340.387 1.031 20 30 EDEDLO COc1nccc(C[N@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001033023027 711362073 /nfs/dbraw/zinc/36/20/73/711362073.db2.gz MACMRESBYPLGSD-OAHLLOKOSA-N 1 2 340.387 1.031 20 30 EDEDLO COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001033023886 711394302 /nfs/dbraw/zinc/39/43/02/711394302.db2.gz ROJRCDVDBDZCAX-CYBMUJFWSA-N 1 2 329.360 1.229 20 30 EDEDLO COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)c3c[nH]c(C#N)c3)C2)on1 ZINC001033023886 711394305 /nfs/dbraw/zinc/39/43/05/711394305.db2.gz ROJRCDVDBDZCAX-CYBMUJFWSA-N 1 2 329.360 1.229 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3nncn3c2)CC1 ZINC001004585132 712018208 /nfs/dbraw/zinc/01/82/08/712018208.db2.gz WQJZGHPQBYBJJN-MRXNPFEDSA-N 1 2 338.415 1.569 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc3nncn3c2)CC1 ZINC001004585132 712018209 /nfs/dbraw/zinc/01/82/09/712018209.db2.gz WQJZGHPQBYBJJN-MRXNPFEDSA-N 1 2 338.415 1.569 20 30 EDEDLO Cn1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)c(Cl)n1 ZINC001004597632 712040233 /nfs/dbraw/zinc/04/02/33/712040233.db2.gz SZIAYSIPVCFFQB-CQSZACIVSA-N 1 2 335.839 1.914 20 30 EDEDLO Cn1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)c(Cl)n1 ZINC001004597632 712040234 /nfs/dbraw/zinc/04/02/34/712040234.db2.gz SZIAYSIPVCFFQB-CQSZACIVSA-N 1 2 335.839 1.914 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000053282099 214175296 /nfs/dbraw/zinc/17/52/96/214175296.db2.gz YYONLKKTNKZGHZ-UHFFFAOYSA-N 1 2 333.417 1.048 20 30 EDEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000054989150 282341654 /nfs/dbraw/zinc/34/16/54/282341654.db2.gz PMRVRLAPQHMBAG-UHFFFAOYSA-N 1 2 329.360 1.683 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1[N+](=O)[O-] ZINC000054989150 282341657 /nfs/dbraw/zinc/34/16/57/282341657.db2.gz PMRVRLAPQHMBAG-UHFFFAOYSA-N 1 2 329.360 1.683 20 30 EDEDLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1scnc1C1CC1 ZINC000329098874 539406851 /nfs/dbraw/zinc/40/68/51/539406851.db2.gz MAUUXXDOUUQYNP-LLVKDONJSA-N 1 2 326.422 1.040 20 30 EDEDLO O=C(NCc1cn2ccccc2n1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329325018 539429712 /nfs/dbraw/zinc/42/97/12/539429712.db2.gz VWBGGLTWPIQZIB-OAHLLOKOSA-N 1 2 329.404 1.155 20 30 EDEDLO Cn1c2nnc(C[NH2+][C@@H]3CCC[C@@H]3C#N)n2c2ccsc2c1=O ZINC000329585284 539446221 /nfs/dbraw/zinc/44/62/21/539446221.db2.gz MEFAQLSGHSOVII-NXEZZACHSA-N 1 2 328.401 1.425 20 30 EDEDLO C=CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066560530 215054114 /nfs/dbraw/zinc/05/41/14/215054114.db2.gz XLUOZZHPRQHVBP-INIZCTEOSA-N 1 2 347.440 1.562 20 30 EDEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066560530 215054117 /nfs/dbraw/zinc/05/41/17/215054117.db2.gz XLUOZZHPRQHVBP-INIZCTEOSA-N 1 2 347.440 1.562 20 30 EDEDLO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000563330376 306327459 /nfs/dbraw/zinc/32/74/59/306327459.db2.gz YCBZIHHJHATSSW-QGZVFWFLSA-N 1 2 338.411 1.992 20 30 EDEDLO N#C[C@@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000106331106 237084368 /nfs/dbraw/zinc/08/43/68/237084368.db2.gz NYIJVRDVPCNCQJ-MRXNPFEDSA-N 1 2 325.372 1.365 20 30 EDEDLO N#CC1CC[NH+](Cc2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000123682966 237143466 /nfs/dbraw/zinc/14/34/66/237143466.db2.gz LQGWBHDLMZRBHS-UHFFFAOYSA-N 1 2 349.456 1.443 20 30 EDEDLO Cn1cc(N2CC[C@@H](O[NH+]=C(N)c3cccc(Cl)c3)C2=O)cn1 ZINC000113248937 237128180 /nfs/dbraw/zinc/12/81/80/237128180.db2.gz AWQFVMJLTSPOEL-CYBMUJFWSA-N 1 2 333.779 1.516 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000111269678 220129810 /nfs/dbraw/zinc/12/98/10/220129810.db2.gz DCXJPXWRJCQUIE-AAEUAGOBSA-N 1 2 332.404 1.553 20 30 EDEDLO CNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000111269678 220129811 /nfs/dbraw/zinc/12/98/11/220129811.db2.gz DCXJPXWRJCQUIE-AAEUAGOBSA-N 1 2 332.404 1.553 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246553154 139112706 /nfs/dbraw/zinc/11/27/06/139112706.db2.gz UEOOJVUKBGSULF-IIDMSEBBSA-N 1 2 342.443 1.538 20 30 EDEDLO C=CCn1c([C@H](C)CC)nnc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000282627488 249540464 /nfs/dbraw/zinc/54/04/64/249540464.db2.gz OSIBAFXUTKRZJV-OAHLLOKOSA-N 1 2 348.495 1.624 20 30 EDEDLO N#CCCOCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000293795939 249744307 /nfs/dbraw/zinc/74/43/07/249744307.db2.gz MXQUACXAAZGZHQ-UHFFFAOYSA-N 1 2 332.360 1.283 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cnc(N(C)C)nc2)CC1 ZINC000329022337 249806769 /nfs/dbraw/zinc/80/67/69/249806769.db2.gz TZSUNVGMAQNFJS-CYBMUJFWSA-N 1 2 332.452 1.168 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000343575426 250013460 /nfs/dbraw/zinc/01/34/60/250013460.db2.gz FQDFIJSCWJCPAB-JTQLQIEISA-N 1 2 347.341 1.278 20 30 EDEDLO C=CCNC(=O)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000346712402 250044243 /nfs/dbraw/zinc/04/42/43/250044243.db2.gz BQUXHRNACMRRNA-UHFFFAOYSA-N 1 2 327.388 1.033 20 30 EDEDLO C=CCn1c(-c2ccco2)nnc1S(=O)(=O)Cc1c[nH+]cn1C ZINC000350239702 250059057 /nfs/dbraw/zinc/05/90/57/250059057.db2.gz JERYKFAMOYFZJD-UHFFFAOYSA-N 1 2 333.373 1.432 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000352249117 250077336 /nfs/dbraw/zinc/07/73/36/250077336.db2.gz GPSSJLVTLFRCJL-INIZCTEOSA-N 1 2 344.459 1.900 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN([C@H](CC)C(=O)OC(C)(C)C)CC1 ZINC000361699911 250176457 /nfs/dbraw/zinc/17/64/57/250176457.db2.gz CZAQXYXNTWOMIC-CQSZACIVSA-N 1 2 325.453 1.027 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372390162 250219342 /nfs/dbraw/zinc/21/93/42/250219342.db2.gz RAOHUTOFVBRENP-LBPRGKRZSA-N 1 2 339.461 1.355 20 30 EDEDLO C=CCS(=O)(=O)CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372390162 250219348 /nfs/dbraw/zinc/21/93/48/250219348.db2.gz RAOHUTOFVBRENP-LBPRGKRZSA-N 1 2 339.461 1.355 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372465724 250221240 /nfs/dbraw/zinc/22/12/40/250221240.db2.gz WIEOPOOROMLFIG-PKOBYXMFSA-N 1 2 337.508 1.701 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)N1CCO[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000373215387 250234746 /nfs/dbraw/zinc/23/47/46/250234746.db2.gz IUTXANNBNQSJBC-DLBZAZTESA-N 1 2 338.496 1.389 20 30 EDEDLO Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC2(CC#N)CC2)c1 ZINC000374034936 250250603 /nfs/dbraw/zinc/25/06/03/250250603.db2.gz ILCCZKQUFKBMMM-UHFFFAOYSA-N 1 2 337.383 1.836 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CC(n2nc(C)nc2C)C1 ZINC000424130401 252133328 /nfs/dbraw/zinc/13/33/28/252133328.db2.gz FDPALWMHVDJXHB-SFHVURJKSA-N 1 2 342.443 1.920 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCO2)CC1 ZINC000491069436 255118091 /nfs/dbraw/zinc/11/80/91/255118091.db2.gz WFDHBLYSUQKJOV-MRXNPFEDSA-N 1 2 329.448 1.165 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)/C=C\c3ccc(C#N)cc3)CC2)cn1 ZINC000491548538 255131307 /nfs/dbraw/zinc/13/13/07/255131307.db2.gz STWUJHAXCWZHNX-SREVYHEPSA-N 1 2 335.411 1.649 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2Cc3ccccc3OC[C@H]2C)CC1 ZINC000490933616 255110418 /nfs/dbraw/zinc/11/04/18/255110418.db2.gz FFDNAMOLVLOXGD-MRXNPFEDSA-N 1 2 327.428 1.047 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2Cc3ccccc3OC[C@H]2C)CC1 ZINC000490933616 255110420 /nfs/dbraw/zinc/11/04/20/255110420.db2.gz FFDNAMOLVLOXGD-MRXNPFEDSA-N 1 2 327.428 1.047 20 30 EDEDLO C#C[C@H](CCC)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000491675564 255139351 /nfs/dbraw/zinc/13/93/51/255139351.db2.gz ZKQCARXGRDUHIW-GDBMZVCRSA-N 1 2 325.478 1.295 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)Oc2cc([S@@](C)=O)c(C)cc2OC)CC1 ZINC000491787519 255147468 /nfs/dbraw/zinc/14/74/68/255147468.db2.gz XTIKOMHRMWDOGX-XMMPIXPASA-N 1 2 349.452 1.992 20 30 EDEDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000495198188 255272776 /nfs/dbraw/zinc/27/27/76/255272776.db2.gz ZNNCWZRRQPMXTR-RDJZCZTQSA-N 1 2 331.416 1.241 20 30 EDEDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000495198188 255272777 /nfs/dbraw/zinc/27/27/77/255272777.db2.gz ZNNCWZRRQPMXTR-RDJZCZTQSA-N 1 2 331.416 1.241 20 30 EDEDLO CCC[N@@H+](CC#N)CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495680420 255314743 /nfs/dbraw/zinc/31/47/43/255314743.db2.gz UKHZPNFMVOIBEF-UHFFFAOYSA-N 1 2 338.452 1.691 20 30 EDEDLO CCC[N@H+](CC#N)CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495680420 255314744 /nfs/dbraw/zinc/31/47/44/255314744.db2.gz UKHZPNFMVOIBEF-UHFFFAOYSA-N 1 2 338.452 1.691 20 30 EDEDLO CN(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)C(=O)OCc1ccccc1 ZINC000496362817 255386918 /nfs/dbraw/zinc/38/69/18/255386918.db2.gz NNKCFDOCDWXYJB-KRWDZBQOSA-N 1 2 332.404 1.215 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000263996536 139374696 /nfs/dbraw/zinc/37/46/96/139374696.db2.gz BQTZEITYJUEMDL-UHFFFAOYSA-N 1 2 332.404 1.799 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000263996536 139374697 /nfs/dbraw/zinc/37/46/97/139374697.db2.gz BQTZEITYJUEMDL-UHFFFAOYSA-N 1 2 332.404 1.799 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)c2cc(C#N)cn2C)C1 ZINC000328631451 258028772 /nfs/dbraw/zinc/02/87/72/258028772.db2.gz QYVXIQJBIBUSCM-AWEZNQCLSA-N 1 2 339.399 1.651 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000264332143 139397881 /nfs/dbraw/zinc/39/78/81/139397881.db2.gz XEJFBVMFRXRUPT-KKUMJFAQSA-N 1 2 331.416 1.551 20 30 EDEDLO N#Cc1ccc2c(c1)N(C(=O)C(=O)NCc1cn3c([nH+]1)CCCC3)CC2 ZINC000270230427 140063633 /nfs/dbraw/zinc/06/36/33/140063633.db2.gz UDKANUQMFFDQFJ-UHFFFAOYSA-N 1 2 349.394 1.297 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000332438411 141182028 /nfs/dbraw/zinc/18/20/28/141182028.db2.gz ZGGAYGLYHKAJOT-UHFFFAOYSA-N 1 2 348.453 1.834 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)C1=O ZINC000333330411 141300706 /nfs/dbraw/zinc/30/07/06/141300706.db2.gz RDLFTSIPMXXCGJ-CHWSQXEVSA-N 1 2 342.428 1.723 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](c3nnc[nH]3)C2)C1=O ZINC000333330411 141300708 /nfs/dbraw/zinc/30/07/08/141300708.db2.gz RDLFTSIPMXXCGJ-CHWSQXEVSA-N 1 2 342.428 1.723 20 30 EDEDLO N#Cc1cccc(CNC(=O)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000340151253 142284210 /nfs/dbraw/zinc/28/42/10/142284210.db2.gz WFAKOQSLADFIBY-UHFFFAOYSA-N 1 2 337.383 1.188 20 30 EDEDLO N#Cc1cscc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000340193815 142298200 /nfs/dbraw/zinc/29/82/00/142298200.db2.gz AOXVDGQTUUJGOW-UHFFFAOYSA-N 1 2 328.397 1.781 20 30 EDEDLO C[S@](=O)C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000347681503 143348898 /nfs/dbraw/zinc/34/88/98/143348898.db2.gz WYJTYLYKPLVSPU-UAVUOLJFSA-N 1 2 341.436 1.794 20 30 EDEDLO C[C@@H](O)CCC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000354861043 150000565 /nfs/dbraw/zinc/00/05/65/150000565.db2.gz MKZJRZFBTCZASH-CQSZACIVSA-N 1 2 337.445 1.026 20 30 EDEDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355099013 150115648 /nfs/dbraw/zinc/11/56/48/150115648.db2.gz FWFYPDFWKNNZCL-GJZGRUSLSA-N 1 2 329.448 1.769 20 30 EDEDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355111872 150121729 /nfs/dbraw/zinc/12/17/29/150121729.db2.gz YHAADZDFXDBGAE-CQSZACIVSA-N 1 2 329.448 1.769 20 30 EDEDLO Cn1cc(-c2cc(C[NH+]3CCN(c4cnccc4C#N)CC3)on2)cn1 ZINC000573754515 306632669 /nfs/dbraw/zinc/63/26/69/306632669.db2.gz ZINRGWIOUWPXHX-UHFFFAOYSA-N 1 2 349.398 1.664 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367075927 154002026 /nfs/dbraw/zinc/00/20/26/154002026.db2.gz KCCYVOZDMIDJST-OAHLLOKOSA-N 1 2 325.372 1.575 20 30 EDEDLO CN(C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1nccs1 ZINC000367831287 154288828 /nfs/dbraw/zinc/28/88/28/154288828.db2.gz HECKZRXEPFCHPE-ZDUSSCGKSA-N 1 2 343.412 1.526 20 30 EDEDLO CN(C(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1nccs1 ZINC000367831287 154288831 /nfs/dbraw/zinc/28/88/31/154288831.db2.gz HECKZRXEPFCHPE-ZDUSSCGKSA-N 1 2 343.412 1.526 20 30 EDEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2ccccc2C#N)C1 ZINC000122090827 222012485 /nfs/dbraw/zinc/01/24/85/222012485.db2.gz XOXGNJIIVQRDIQ-AWEZNQCLSA-N 1 2 344.440 1.935 20 30 EDEDLO CCOC(=O)c1ccc(C#N)c(SCC[N@@H+]2CCO[C@H](C)C2)n1 ZINC000412984911 270011956 /nfs/dbraw/zinc/01/19/56/270011956.db2.gz DFDDZFWHCCPWGV-GFCCVEGCSA-N 1 2 335.429 1.943 20 30 EDEDLO CCOC(=O)c1ccc(C#N)c(SCC[N@H+]2CCO[C@H](C)C2)n1 ZINC000412984911 270011957 /nfs/dbraw/zinc/01/19/57/270011957.db2.gz DFDDZFWHCCPWGV-GFCCVEGCSA-N 1 2 335.429 1.943 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@H](C)[N@H+]1C ZINC000339066192 267060199 /nfs/dbraw/zinc/06/01/99/267060199.db2.gz IPUXYIDRWLNVTE-PHIMTYICSA-N 1 2 338.389 1.180 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@H](C)[N@@H+]1C ZINC000339066192 267060202 /nfs/dbraw/zinc/06/02/02/267060202.db2.gz IPUXYIDRWLNVTE-PHIMTYICSA-N 1 2 338.389 1.180 20 30 EDEDLO Cc1noc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2C#N)n1 ZINC000528505456 268100695 /nfs/dbraw/zinc/10/06/95/268100695.db2.gz OIEITPSXZFELPN-HUUCEWRRSA-N 1 2 328.372 1.827 20 30 EDEDLO Cc1noc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2C#N)n1 ZINC000528505456 268100697 /nfs/dbraw/zinc/10/06/97/268100697.db2.gz OIEITPSXZFELPN-HUUCEWRRSA-N 1 2 328.372 1.827 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000448831292 268110190 /nfs/dbraw/zinc/11/01/90/268110190.db2.gz PXELVPHFQCGCTC-UHFFFAOYSA-N 1 2 338.411 1.876 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000448591543 268114330 /nfs/dbraw/zinc/11/43/30/268114330.db2.gz IFXBLOSBTAXLPY-UHFFFAOYSA-N 1 2 338.411 1.659 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000528403857 268298516 /nfs/dbraw/zinc/29/85/16/268298516.db2.gz LCSLGEUSPXXQGP-OWCLPIDISA-N 1 2 329.400 1.041 20 30 EDEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000528403857 268298518 /nfs/dbraw/zinc/29/85/18/268298518.db2.gz LCSLGEUSPXXQGP-OWCLPIDISA-N 1 2 329.400 1.041 20 30 EDEDLO N#Cc1ncccc1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000428255687 268325042 /nfs/dbraw/zinc/32/50/42/268325042.db2.gz HMURSCWMGXQBSX-UHFFFAOYSA-N 1 2 327.369 1.122 20 30 EDEDLO CCC[C@]1(C)C(=O)NCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000275374823 268332628 /nfs/dbraw/zinc/33/26/28/268332628.db2.gz BFLLENFKBJKUES-GOSISDBHSA-N 1 2 328.416 1.165 20 30 EDEDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000275374823 268332629 /nfs/dbraw/zinc/33/26/29/268332629.db2.gz BFLLENFKBJKUES-GOSISDBHSA-N 1 2 328.416 1.165 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000362136326 277367350 /nfs/dbraw/zinc/36/73/50/277367350.db2.gz WPHLNBYELMSPMX-ZFWWWQNUSA-N 1 2 349.456 1.814 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000362136326 277367352 /nfs/dbraw/zinc/36/73/52/277367352.db2.gz WPHLNBYELMSPMX-ZFWWWQNUSA-N 1 2 349.456 1.814 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000372640086 277916826 /nfs/dbraw/zinc/91/68/26/277916826.db2.gz PBXGMFAMXUPVMW-MAUKXSAKSA-N 1 2 337.464 1.028 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289066631 279214050 /nfs/dbraw/zinc/21/40/50/279214050.db2.gz RQZGOQZHWBJODB-AWEZNQCLSA-N 1 2 329.400 1.868 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289066631 279214052 /nfs/dbraw/zinc/21/40/52/279214052.db2.gz RQZGOQZHWBJODB-AWEZNQCLSA-N 1 2 329.400 1.868 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000165701575 280101744 /nfs/dbraw/zinc/10/17/44/280101744.db2.gz HOEGCKLVFTYKAB-VQIMIIECSA-N 1 2 342.443 1.604 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000165701575 280101746 /nfs/dbraw/zinc/10/17/46/280101746.db2.gz HOEGCKLVFTYKAB-VQIMIIECSA-N 1 2 342.443 1.604 20 30 EDEDLO CN(C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C)C(=O)c1ccc(C#N)o1 ZINC000348685630 289721619 /nfs/dbraw/zinc/72/16/19/289721619.db2.gz GYBMHQSYRUPIGJ-OLZOCXBDSA-N 1 2 345.378 1.569 20 30 EDEDLO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329287003 293497382 /nfs/dbraw/zinc/49/73/82/293497382.db2.gz OZAZHLPTNWXBST-CFVMTHIKSA-N 1 2 348.451 1.130 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)N2CC(C)(C#N)C2)CCC(=O)N1C1CC1 ZINC000285279315 303031511 /nfs/dbraw/zinc/03/15/11/303031511.db2.gz QKWNORGPFUHWIM-CZUORRHYSA-N 1 2 341.415 1.234 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C#N)n3C)c[nH+]2)CCO1 ZINC000448710485 447345853 /nfs/dbraw/zinc/34/58/53/447345853.db2.gz UIMJLVJNXMWXFK-ZDUSSCGKSA-N 1 2 339.399 1.447 20 30 EDEDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000377776818 447350625 /nfs/dbraw/zinc/35/06/25/447350625.db2.gz MMAHHBYRXLUSPD-UHFFFAOYSA-N 1 2 340.424 1.011 20 30 EDEDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000377776818 447350634 /nfs/dbraw/zinc/35/06/34/447350634.db2.gz MMAHHBYRXLUSPD-UHFFFAOYSA-N 1 2 340.424 1.011 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000545790156 306085830 /nfs/dbraw/zinc/08/58/30/306085830.db2.gz GJFRYSLVNSFOQO-IUODEOHRSA-N 1 2 327.388 2.000 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000545790156 306085831 /nfs/dbraw/zinc/08/58/31/306085831.db2.gz GJFRYSLVNSFOQO-IUODEOHRSA-N 1 2 327.388 2.000 20 30 EDEDLO CC(C)NC(=O)NCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000555415742 306202257 /nfs/dbraw/zinc/20/22/57/306202257.db2.gz ACYWQSNCTLKZGR-UHFFFAOYSA-N 1 2 333.411 1.527 20 30 EDEDLO C=CCC[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(=O)OCC ZINC000456612246 447423435 /nfs/dbraw/zinc/42/34/35/447423435.db2.gz RVCROIROJLBPAJ-HZPDHXFCSA-N 1 2 338.448 1.644 20 30 EDEDLO C=CCC[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(=O)OCC ZINC000456612246 447423442 /nfs/dbraw/zinc/42/34/42/447423442.db2.gz RVCROIROJLBPAJ-HZPDHXFCSA-N 1 2 338.448 1.644 20 30 EDEDLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@@]3(C#N)C[C@@H]3C)CC2)c1 ZINC000450141859 447428941 /nfs/dbraw/zinc/42/89/41/447428941.db2.gz APGQIYAWSHALQX-HNAYVOBHSA-N 1 2 343.427 1.768 20 30 EDEDLO C=CCNC(=O)C[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000057910141 441142908 /nfs/dbraw/zinc/14/29/08/441142908.db2.gz OCPUIBAHEZBLST-UHFFFAOYSA-N 1 2 340.445 1.093 20 30 EDEDLO C=CCNC(=O)C[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000057910141 441142914 /nfs/dbraw/zinc/14/29/14/441142914.db2.gz OCPUIBAHEZBLST-UHFFFAOYSA-N 1 2 340.445 1.093 20 30 EDEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000060467460 441244699 /nfs/dbraw/zinc/24/46/99/441244699.db2.gz WNJJUJQOYIKRPF-MRXNPFEDSA-N 1 2 344.459 1.469 20 30 EDEDLO CC(C)CC[N@H+](CCC#N)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072691671 441251017 /nfs/dbraw/zinc/25/10/17/441251017.db2.gz FDUALFAROOCWOM-UHFFFAOYSA-N 1 2 334.464 1.329 20 30 EDEDLO CC(C)CC[N@@H+](CCC#N)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072691671 441251018 /nfs/dbraw/zinc/25/10/18/441251018.db2.gz FDUALFAROOCWOM-UHFFFAOYSA-N 1 2 334.464 1.329 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000063517022 441334677 /nfs/dbraw/zinc/33/46/77/441334677.db2.gz JHXLEDGPZFLDQI-MAUKXSAKSA-N 1 2 334.464 1.518 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000063517022 441334680 /nfs/dbraw/zinc/33/46/80/441334680.db2.gz JHXLEDGPZFLDQI-MAUKXSAKSA-N 1 2 334.464 1.518 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC(=O)N(C)C)c1 ZINC000073643590 441337721 /nfs/dbraw/zinc/33/77/21/441337721.db2.gz HPJBXKMGFXKDMP-INIZCTEOSA-N 1 2 344.459 1.959 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC(=O)N(C)C)c1 ZINC000073643590 441337723 /nfs/dbraw/zinc/33/77/23/441337723.db2.gz HPJBXKMGFXKDMP-INIZCTEOSA-N 1 2 344.459 1.959 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000024586357 441314094 /nfs/dbraw/zinc/31/40/94/441314094.db2.gz QWAGZLGWCGFOME-UHFFFAOYSA-N 1 2 331.376 1.113 20 30 EDEDLO COC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000025557333 441348749 /nfs/dbraw/zinc/34/87/49/441348749.db2.gz LEECDBSHQKBBJE-LLVKDONJSA-N 1 2 333.388 1.980 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CNC(C)=O)CC1 ZINC000083169259 441352589 /nfs/dbraw/zinc/35/25/89/441352589.db2.gz OZXWXAMTJQPMEK-QGZVFWFLSA-N 1 2 329.400 1.620 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cnccn2)CC1 ZINC000027631634 441410105 /nfs/dbraw/zinc/41/01/05/441410105.db2.gz PDFGRLZRHJEAAP-YOEHRIQHSA-N 1 2 330.436 1.042 20 30 EDEDLO C[C@@](C#N)(NC(=O)CN1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000027378659 441401793 /nfs/dbraw/zinc/40/17/93/441401793.db2.gz HJVSVCIRTWZKAI-SFHVURJKSA-N 1 2 327.432 1.008 20 30 EDEDLO C#CC[N@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccc(F)cc1 ZINC000065958488 441497525 /nfs/dbraw/zinc/49/75/25/441497525.db2.gz ATDFZJTZHYMWKK-UHFFFAOYSA-N 1 2 343.358 1.880 20 30 EDEDLO C#CC[N@@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccc(F)cc1 ZINC000065958488 441497529 /nfs/dbraw/zinc/49/75/29/441497529.db2.gz ATDFZJTZHYMWKK-UHFFFAOYSA-N 1 2 343.358 1.880 20 30 EDEDLO N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000088766678 441519521 /nfs/dbraw/zinc/51/95/21/441519521.db2.gz XPFUAIJGVUYRLP-UHFFFAOYSA-N 1 2 331.763 1.553 20 30 EDEDLO C#CC[NH+]1CCN(CN2C(=O)NC3(CCC(C(C)C)CC3)C2=O)CC1 ZINC000075711823 441551059 /nfs/dbraw/zinc/55/10/59/441551059.db2.gz CPVAFOAHDGMLRS-UHFFFAOYSA-N 1 2 346.475 1.332 20 30 EDEDLO N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000076001739 441576261 /nfs/dbraw/zinc/57/62/61/441576261.db2.gz WOUSKBBDEYBSTC-HNNXBMFYSA-N 1 2 337.383 1.417 20 30 EDEDLO C=C(C)COc1cccc(NC(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000067492156 441645659 /nfs/dbraw/zinc/64/56/59/441645659.db2.gz MVRSHYAWPOXTPA-UHFFFAOYSA-N 1 2 328.372 1.593 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCCN(CC(F)F)CC3)C2=O)cc1 ZINC000091084211 441659030 /nfs/dbraw/zinc/65/90/30/441659030.db2.gz ADJWPRMQSIGPTD-MRXNPFEDSA-N 1 2 348.397 1.936 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCCN(CC(F)F)CC3)C2=O)cc1 ZINC000091084211 441659034 /nfs/dbraw/zinc/65/90/34/441659034.db2.gz ADJWPRMQSIGPTD-MRXNPFEDSA-N 1 2 348.397 1.936 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000042505605 441742626 /nfs/dbraw/zinc/74/26/26/441742626.db2.gz UHLQGXBPEIIWPI-MRXNPFEDSA-N 1 2 332.448 1.690 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115570392 441758134 /nfs/dbraw/zinc/75/81/34/441758134.db2.gz GNQAAVXEBRGVBK-KRWDZBQOSA-N 1 2 342.443 1.876 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115570392 441758141 /nfs/dbraw/zinc/75/81/41/441758141.db2.gz GNQAAVXEBRGVBK-KRWDZBQOSA-N 1 2 342.443 1.876 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000115604653 441765766 /nfs/dbraw/zinc/76/57/66/441765766.db2.gz MJAIDLPISIKWLE-HUUCEWRRSA-N 1 2 340.431 1.902 20 30 EDEDLO C=C[C@H](CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000122871647 441866408 /nfs/dbraw/zinc/86/64/08/441866408.db2.gz CHPLRLVYWFIGFI-SJLPKXTDSA-N 1 2 332.444 1.498 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000143215071 441869226 /nfs/dbraw/zinc/86/92/26/441869226.db2.gz LBHGOTBGOKCRSY-ZDUSSCGKSA-N 1 2 328.372 1.591 20 30 EDEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174783583 441968462 /nfs/dbraw/zinc/96/84/62/441968462.db2.gz LHVHHXFWYXWXQY-IJEWVQPXSA-N 1 2 341.477 1.082 20 30 EDEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174783583 441968465 /nfs/dbraw/zinc/96/84/65/441968465.db2.gz LHVHHXFWYXWXQY-IJEWVQPXSA-N 1 2 341.477 1.082 20 30 EDEDLO N#Cc1cnc(N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)cn1 ZINC000124574594 441936682 /nfs/dbraw/zinc/93/66/82/441936682.db2.gz ADBMAKQGNVJWOJ-QGZVFWFLSA-N 1 2 348.410 1.276 20 30 EDEDLO C#CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000161008820 441946582 /nfs/dbraw/zinc/94/65/82/441946582.db2.gz YFYFSUQKTLWWHF-GOSISDBHSA-N 1 2 328.412 1.522 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)Nc1ccc(F)cc1 ZINC000078681385 441961491 /nfs/dbraw/zinc/96/14/91/441961491.db2.gz DURAYEMBOZMLKI-UHFFFAOYSA-N 1 2 334.395 1.312 20 30 EDEDLO COc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1F ZINC000151228298 442028080 /nfs/dbraw/zinc/02/80/80/442028080.db2.gz XUWUQBOAUUHJNC-UHFFFAOYSA-N 1 2 335.379 1.522 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000151245947 442031398 /nfs/dbraw/zinc/03/13/98/442031398.db2.gz GZEMKRQMFZWUDY-CHWSQXEVSA-N 1 2 342.403 1.318 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000120530300 442090514 /nfs/dbraw/zinc/09/05/14/442090514.db2.gz NPKGJRPZXPXZRC-OAHLLOKOSA-N 1 2 344.459 1.599 20 30 EDEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000120530300 442090518 /nfs/dbraw/zinc/09/05/18/442090518.db2.gz NPKGJRPZXPXZRC-OAHLLOKOSA-N 1 2 344.459 1.599 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000151420354 442058678 /nfs/dbraw/zinc/05/86/78/442058678.db2.gz JAZBUQLBSQCSHJ-YOEHRIQHSA-N 1 2 336.395 1.913 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC(=O)NC1CC1 ZINC000127019214 442162793 /nfs/dbraw/zinc/16/27/93/442162793.db2.gz CYWVUEVDERVZKL-TXKKKEFDSA-N 1 2 334.464 1.516 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC(=O)NC1CC1 ZINC000127019214 442162795 /nfs/dbraw/zinc/16/27/95/442162795.db2.gz CYWVUEVDERVZKL-TXKKKEFDSA-N 1 2 334.464 1.516 20 30 EDEDLO CC[N@H+](CCC#N)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000127611817 442215116 /nfs/dbraw/zinc/21/51/16/442215116.db2.gz KZNBLXCKGJKXFF-UHFFFAOYSA-N 1 2 325.796 1.948 20 30 EDEDLO CC[N@@H+](CCC#N)Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000127611817 442215119 /nfs/dbraw/zinc/21/51/19/442215119.db2.gz KZNBLXCKGJKXFF-UHFFFAOYSA-N 1 2 325.796 1.948 20 30 EDEDLO C[C@@]([NH2+]CC(=O)Nc1sccc1C#N)(C(N)=O)c1ccccc1 ZINC000170645137 442240998 /nfs/dbraw/zinc/24/09/98/442240998.db2.gz DFSHEEOJDBIASK-INIZCTEOSA-N 1 2 328.397 1.549 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c(F)c1 ZINC000177727367 442376536 /nfs/dbraw/zinc/37/65/36/442376536.db2.gz UMHQINPIKXMFFZ-UHFFFAOYSA-N 1 2 348.334 1.963 20 30 EDEDLO N#Cc1cc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)ccc1F ZINC000178403482 442430455 /nfs/dbraw/zinc/43/04/55/442430455.db2.gz BUAMBJSGYGUZRJ-UHFFFAOYSA-N 1 2 330.344 1.824 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000156000387 442441580 /nfs/dbraw/zinc/44/15/80/442441580.db2.gz AVCMGMGNQLWLGY-CQSZACIVSA-N 1 2 346.374 1.680 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000156000387 442441582 /nfs/dbraw/zinc/44/15/82/442441582.db2.gz AVCMGMGNQLWLGY-CQSZACIVSA-N 1 2 346.374 1.680 20 30 EDEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCn1cc[nH+]c1 ZINC000156171915 442452590 /nfs/dbraw/zinc/45/25/90/442452590.db2.gz OWVJXYGZVRKTJK-UHFFFAOYSA-N 1 2 344.318 1.752 20 30 EDEDLO CCN1CC[N@H+](CCOc2ccc(C#N)cc2OC)C(C)(C)C1=O ZINC000186511309 442549532 /nfs/dbraw/zinc/54/95/32/442549532.db2.gz UDVSSHSNVUFGNR-UHFFFAOYSA-N 1 2 331.416 1.888 20 30 EDEDLO CCN1CC[N@@H+](CCOc2ccc(C#N)cc2OC)C(C)(C)C1=O ZINC000186511309 442549537 /nfs/dbraw/zinc/54/95/37/442549537.db2.gz UDVSSHSNVUFGNR-UHFFFAOYSA-N 1 2 331.416 1.888 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C(C)C)nc2)CC1 ZINC000157725385 442606699 /nfs/dbraw/zinc/60/66/99/442606699.db2.gz GLAVICMATFPSTM-UHFFFAOYSA-N 1 2 342.443 1.102 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C(C)C)nc2)CC1 ZINC000157725385 442606705 /nfs/dbraw/zinc/60/67/05/442606705.db2.gz GLAVICMATFPSTM-UHFFFAOYSA-N 1 2 342.443 1.102 20 30 EDEDLO C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000173190360 442620370 /nfs/dbraw/zinc/62/03/70/442620370.db2.gz WWSBLANNFJQSJA-HUUCEWRRSA-N 1 2 346.431 1.345 20 30 EDEDLO CC[C@]1(CO)CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000187594823 442682337 /nfs/dbraw/zinc/68/23/37/442682337.db2.gz QCGJUCRXKOKNES-KRWDZBQOSA-N 1 2 336.457 1.816 20 30 EDEDLO CC[C@]1(CO)CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000187594823 442682340 /nfs/dbraw/zinc/68/23/40/442682340.db2.gz QCGJUCRXKOKNES-KRWDZBQOSA-N 1 2 336.457 1.816 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000188117585 442713320 /nfs/dbraw/zinc/71/33/20/442713320.db2.gz LCUZMNPLXBTGCO-SFHVURJKSA-N 1 2 333.432 1.763 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000193795392 442788476 /nfs/dbraw/zinc/78/84/76/442788476.db2.gz JJEFTNHHIYCTNL-LBPRGKRZSA-N 1 2 337.445 1.107 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000193795392 442788479 /nfs/dbraw/zinc/78/84/79/442788479.db2.gz JJEFTNHHIYCTNL-LBPRGKRZSA-N 1 2 337.445 1.107 20 30 EDEDLO CNc1[nH+]cnc2c1cnn2C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000193756486 442781010 /nfs/dbraw/zinc/78/10/10/442781010.db2.gz MXRJGCMSSDWACY-CYBMUJFWSA-N 1 2 338.371 1.374 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000183019663 442865222 /nfs/dbraw/zinc/86/52/22/442865222.db2.gz BOKDQYBISGTRHE-LZWOXQAQSA-N 1 2 348.447 1.431 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@@]4(CCOC4)C3)C2=O)cc1 ZINC000248919836 442937052 /nfs/dbraw/zinc/93/70/52/442937052.db2.gz DWZOGSXTJPTSKY-MJGOQNOKSA-N 1 2 341.411 1.545 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCO[C@@]4(CCOC4)C3)C2=O)cc1 ZINC000248919836 442937055 /nfs/dbraw/zinc/93/70/55/442937055.db2.gz DWZOGSXTJPTSKY-MJGOQNOKSA-N 1 2 341.411 1.545 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000268311782 442942468 /nfs/dbraw/zinc/94/24/68/442942468.db2.gz QEBJJRQVBIZZPO-LBPRGKRZSA-N 1 2 325.409 1.459 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000268311782 442942470 /nfs/dbraw/zinc/94/24/70/442942470.db2.gz QEBJJRQVBIZZPO-LBPRGKRZSA-N 1 2 325.409 1.459 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195319887 443009774 /nfs/dbraw/zinc/00/97/74/443009774.db2.gz IQHKFBMQZGKEMU-BBWFWOEESA-N 1 2 325.497 1.841 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000195319887 443009776 /nfs/dbraw/zinc/00/97/76/443009776.db2.gz IQHKFBMQZGKEMU-BBWFWOEESA-N 1 2 325.497 1.841 20 30 EDEDLO Cc1noc(CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000266293243 443088568 /nfs/dbraw/zinc/08/85/68/443088568.db2.gz MHOHQZVCHPZQOZ-UHFFFAOYSA-N 1 2 331.376 1.047 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000184868379 443089472 /nfs/dbraw/zinc/08/94/72/443089472.db2.gz NHRDYRJJDMSZKU-ZDUSSCGKSA-N 1 2 347.423 1.566 20 30 EDEDLO C=CCN(CCOC)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000190600404 443146374 /nfs/dbraw/zinc/14/63/74/443146374.db2.gz LIVUUHUKRAGZRE-GOSISDBHSA-N 1 2 347.459 1.904 20 30 EDEDLO CC#CCCCC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000185144888 443146638 /nfs/dbraw/zinc/14/66/38/443146638.db2.gz WPAYQWPLTWXQIT-UHFFFAOYSA-N 1 2 337.464 1.849 20 30 EDEDLO N#Cc1cc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)ccn1 ZINC000610992090 450400358 /nfs/dbraw/zinc/40/03/58/450400358.db2.gz XSOLVGHEOQAWHW-UHFFFAOYSA-N 1 2 327.432 1.083 20 30 EDEDLO N#Cc1cc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)ccn1 ZINC000610992090 450400359 /nfs/dbraw/zinc/40/03/59/450400359.db2.gz XSOLVGHEOQAWHW-UHFFFAOYSA-N 1 2 327.432 1.083 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264108058 443248816 /nfs/dbraw/zinc/24/88/16/443248816.db2.gz SRORCVZSUGFCND-LLVKDONJSA-N 1 2 331.342 1.638 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191182362 443254754 /nfs/dbraw/zinc/25/47/54/443254754.db2.gz GFNZSDNUCAKARO-DZGCQCFKSA-N 1 2 335.477 1.518 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191182362 443254758 /nfs/dbraw/zinc/25/47/58/443254758.db2.gz GFNZSDNUCAKARO-DZGCQCFKSA-N 1 2 335.477 1.518 20 30 EDEDLO C#CC[N@@H+](CC)CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000266924619 443292201 /nfs/dbraw/zinc/29/22/01/443292201.db2.gz NBYYRGFLCAANLP-KRWDZBQOSA-N 1 2 341.411 1.813 20 30 EDEDLO C#CC[N@H+](CC)CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000266924619 443292204 /nfs/dbraw/zinc/29/22/04/443292204.db2.gz NBYYRGFLCAANLP-KRWDZBQOSA-N 1 2 341.411 1.813 20 30 EDEDLO C#CC[N@@H+](CC)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000266924619 443292207 /nfs/dbraw/zinc/29/22/07/443292207.db2.gz NBYYRGFLCAANLP-KRWDZBQOSA-N 1 2 341.411 1.813 20 30 EDEDLO C#CC[N@H+](CC)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000266924619 443292209 /nfs/dbraw/zinc/29/22/09/443292209.db2.gz NBYYRGFLCAANLP-KRWDZBQOSA-N 1 2 341.411 1.813 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000266856998 443269592 /nfs/dbraw/zinc/26/95/92/443269592.db2.gz HPAMBKQOHRNIMG-HIFRSBDPSA-N 1 2 339.317 1.663 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 ZINC000266856998 443269597 /nfs/dbraw/zinc/26/95/97/443269597.db2.gz HPAMBKQOHRNIMG-HIFRSBDPSA-N 1 2 339.317 1.663 20 30 EDEDLO Cc1cnn(C[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CCO2)c1 ZINC000264527563 443315001 /nfs/dbraw/zinc/31/50/01/443315001.db2.gz CKLMNQHANWNYOD-GOSISDBHSA-N 1 2 326.400 1.995 20 30 EDEDLO Cc1cnn(C[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CCO2)c1 ZINC000264527563 443315004 /nfs/dbraw/zinc/31/50/04/443315004.db2.gz CKLMNQHANWNYOD-GOSISDBHSA-N 1 2 326.400 1.995 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ccc(F)c(OC)c3)CC2)C1=O ZINC000282763630 443427339 /nfs/dbraw/zinc/42/73/39/443427339.db2.gz LDUZKLUEXOZGIC-MRXNPFEDSA-N 1 2 333.407 1.743 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000270614015 443477025 /nfs/dbraw/zinc/47/70/25/443477025.db2.gz FCMLQGWFRQIFNG-GJZGRUSLSA-N 1 2 343.431 1.373 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000270614015 443477029 /nfs/dbraw/zinc/47/70/29/443477029.db2.gz FCMLQGWFRQIFNG-GJZGRUSLSA-N 1 2 343.431 1.373 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000273358020 443566841 /nfs/dbraw/zinc/56/68/41/443566841.db2.gz DRUZYZIVJOZGHG-IUODEOHRSA-N 1 2 332.379 1.885 20 30 EDEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000272244960 443567166 /nfs/dbraw/zinc/56/71/66/443567166.db2.gz HGLPYQXTNWTUPL-MRXNPFEDSA-N 1 2 347.459 1.827 20 30 EDEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000272244960 443567169 /nfs/dbraw/zinc/56/71/69/443567169.db2.gz HGLPYQXTNWTUPL-MRXNPFEDSA-N 1 2 347.459 1.827 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH2+][C@@H](c1nc(C(C)C)no1)C1CCOCC1 ZINC000275318899 443625474 /nfs/dbraw/zinc/62/54/74/443625474.db2.gz OUVUMQZVUUQKPZ-GXTWGEPZSA-N 1 2 336.436 1.941 20 30 EDEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3(C#N)CCC3)c2)CC1 ZINC000275695977 443638351 /nfs/dbraw/zinc/63/83/51/443638351.db2.gz YDXDGYFBUWZNQP-UHFFFAOYSA-N 1 2 340.427 1.983 20 30 EDEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000279491678 443594379 /nfs/dbraw/zinc/59/43/79/443594379.db2.gz PIVGXYSMMMUJTJ-SFHVURJKSA-N 1 2 345.406 1.984 20 30 EDEDLO C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000283306604 443596613 /nfs/dbraw/zinc/59/66/13/443596613.db2.gz PJGWHKYAJACLPL-UHFFFAOYSA-N 1 2 344.463 1.132 20 30 EDEDLO C#CC[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)C1CC1 ZINC000274160332 443597347 /nfs/dbraw/zinc/59/73/47/443597347.db2.gz MAIHSKJCZAWSEC-UHFFFAOYSA-N 1 2 329.356 1.204 20 30 EDEDLO C#CC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)C1CC1 ZINC000274160332 443597349 /nfs/dbraw/zinc/59/73/49/443597349.db2.gz MAIHSKJCZAWSEC-UHFFFAOYSA-N 1 2 329.356 1.204 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000274218905 443599051 /nfs/dbraw/zinc/59/90/51/443599051.db2.gz QYNLHGNXBAQEMI-UHFFFAOYSA-N 1 2 339.486 1.542 20 30 EDEDLO CNC(=O)C[NH+]1CCN(c2cccc(Br)c2C#N)CC1 ZINC000276166394 443659788 /nfs/dbraw/zinc/65/97/88/443659788.db2.gz KPROAAUTRGMVST-UHFFFAOYSA-N 1 2 337.221 1.189 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000276530226 443735780 /nfs/dbraw/zinc/73/57/80/443735780.db2.gz ZSWHGONYLFNOJI-RYRKJORJSA-N 1 2 341.411 1.448 20 30 EDEDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000276530226 443735782 /nfs/dbraw/zinc/73/57/82/443735782.db2.gz ZSWHGONYLFNOJI-RYRKJORJSA-N 1 2 341.411 1.448 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280615710 443738084 /nfs/dbraw/zinc/73/80/84/443738084.db2.gz WFRPJWROVZPHGM-QWQRMKEZSA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280615710 443738088 /nfs/dbraw/zinc/73/80/88/443738088.db2.gz WFRPJWROVZPHGM-QWQRMKEZSA-N 1 2 329.400 1.765 20 30 EDEDLO C=CC[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000292265389 443787558 /nfs/dbraw/zinc/78/75/58/443787558.db2.gz RTEINIUWDRUGRN-OAHLLOKOSA-N 1 2 348.399 1.623 20 30 EDEDLO C=CC[N@H+](CCC#N)C[C@@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000292265389 443787562 /nfs/dbraw/zinc/78/75/62/443787562.db2.gz RTEINIUWDRUGRN-OAHLLOKOSA-N 1 2 348.399 1.623 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000292327090 443790304 /nfs/dbraw/zinc/79/03/04/443790304.db2.gz MSNCLNCTGTYTIW-MRXNPFEDSA-N 1 2 338.415 1.340 20 30 EDEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000298527599 443792041 /nfs/dbraw/zinc/79/20/41/443792041.db2.gz UJEFZOMGFZXHNP-RDJZCZTQSA-N 1 2 327.432 1.991 20 30 EDEDLO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2[nH+]ccn2C)cc1 ZINC000287694037 443754250 /nfs/dbraw/zinc/75/42/50/443754250.db2.gz RFJHGWYILQSCAN-NSHDSACASA-N 1 2 347.400 1.428 20 30 EDEDLO Cc1nsc(N2CC[NH+]([C@H]3CCCN(C(C)C)C3=O)CC2)c1C#N ZINC000288026734 443765160 /nfs/dbraw/zinc/76/51/60/443765160.db2.gz AEKAKWFATNBANE-HNNXBMFYSA-N 1 2 347.488 1.845 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292124414 443778286 /nfs/dbraw/zinc/77/82/86/443778286.db2.gz XCQQBSHFJCHEDV-AWEZNQCLSA-N 1 2 326.360 1.050 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000281233264 443855041 /nfs/dbraw/zinc/85/50/41/443855041.db2.gz FOJQYVJXDMZRCE-WFASDCNBSA-N 1 2 346.387 1.641 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000281233264 443855046 /nfs/dbraw/zinc/85/50/46/443855046.db2.gz FOJQYVJXDMZRCE-WFASDCNBSA-N 1 2 346.387 1.641 20 30 EDEDLO Cc1nc(CC(N)=[NH+]OCc2cc(=O)n3ccc(C)cc3n2)cs1 ZINC000298794548 443870617 /nfs/dbraw/zinc/87/06/17/443870617.db2.gz UKVJAAQGKOWAMN-UHFFFAOYSA-N 1 2 343.412 1.799 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000285155825 443877373 /nfs/dbraw/zinc/87/73/73/443877373.db2.gz AGBUVIFRVONCJM-YOEHRIQHSA-N 1 2 349.456 1.183 20 30 EDEDLO CCc1ccc(C#CC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1 ZINC000293184829 443946189 /nfs/dbraw/zinc/94/61/89/443946189.db2.gz NVNPHLMFPPXPNB-LPHOPBHVSA-N 1 2 326.440 1.780 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1=O ZINC000281485044 443924216 /nfs/dbraw/zinc/92/42/16/443924216.db2.gz WXCKOMYAOPVMPC-CYBMUJFWSA-N 1 2 330.344 1.955 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1=O ZINC000281485044 443924219 /nfs/dbraw/zinc/92/42/19/443924219.db2.gz WXCKOMYAOPVMPC-CYBMUJFWSA-N 1 2 330.344 1.955 20 30 EDEDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1cc(C#N)n(C)c1)C2 ZINC000285286729 443928106 /nfs/dbraw/zinc/92/81/06/443928106.db2.gz VELFGUMDCADOJN-UHFFFAOYSA-N 1 2 344.440 1.363 20 30 EDEDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cc(C#N)n(C)c1)C2 ZINC000285286729 443928108 /nfs/dbraw/zinc/92/81/08/443928108.db2.gz VELFGUMDCADOJN-UHFFFAOYSA-N 1 2 344.440 1.363 20 30 EDEDLO COCCN(CCC#N)S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000281698373 443982108 /nfs/dbraw/zinc/98/21/08/443982108.db2.gz BIKYPVHDYWCKIK-ZDUSSCGKSA-N 1 2 341.437 1.044 20 30 EDEDLO C[C@H]1COCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277430008 443986844 /nfs/dbraw/zinc/98/68/44/443986844.db2.gz JMQFHUGWAZFDGC-YJBOKZPZSA-N 1 2 342.443 1.810 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281600079 443955242 /nfs/dbraw/zinc/95/52/42/443955242.db2.gz GFZQOADTYPWPBL-DLBZAZTESA-N 1 2 344.390 1.589 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281600079 443955245 /nfs/dbraw/zinc/95/52/45/443955245.db2.gz GFZQOADTYPWPBL-DLBZAZTESA-N 1 2 344.390 1.589 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000281796410 444008641 /nfs/dbraw/zinc/00/86/41/444008641.db2.gz NMLUCFQMVDJTCB-XJKSGUPXSA-N 1 2 342.399 1.679 20 30 EDEDLO C=CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000293592465 444064349 /nfs/dbraw/zinc/06/43/49/444064349.db2.gz UPIYAFFWGUGTNJ-UHFFFAOYSA-N 1 2 346.399 1.474 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc2c(cccc2F)[nH]1 ZINC000299502471 444065196 /nfs/dbraw/zinc/06/51/96/444065196.db2.gz GSJNXXZESYTUOR-UHFFFAOYSA-N 1 2 344.390 1.995 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)c2cc(F)ccc2C[NH2+]1 ZINC000565243484 321178712 /nfs/dbraw/zinc/17/87/12/321178712.db2.gz AZOCOKJVKBXCCC-SNVBAGLBSA-N 1 2 335.360 1.977 20 30 EDEDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000567887531 321265580 /nfs/dbraw/zinc/26/55/80/321265580.db2.gz MGPYRRKIQOCGKK-AWEZNQCLSA-N 1 2 336.403 1.941 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000294327187 444112764 /nfs/dbraw/zinc/11/27/64/444112764.db2.gz SMKVLWHPJVTPIT-KSSFIOAISA-N 1 2 342.443 1.559 20 30 EDEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000294362478 444113543 /nfs/dbraw/zinc/11/35/43/444113543.db2.gz ZZAAYABNOZDNIG-UKRRQHHQSA-N 1 2 333.457 1.987 20 30 EDEDLO CN(C)S(=O)(=O)c1cccc2c1CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000294362478 444113546 /nfs/dbraw/zinc/11/35/46/444113546.db2.gz ZZAAYABNOZDNIG-UKRRQHHQSA-N 1 2 333.457 1.987 20 30 EDEDLO COc1cc(C(N)=[NH+]OCc2cnnn2C)cc(Cl)c1OC ZINC000289461219 444150836 /nfs/dbraw/zinc/15/08/36/444150836.db2.gz VXFPGWAMGMBSMQ-UHFFFAOYSA-N 1 2 325.756 1.323 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2ccccn2)CC1 ZINC000295157533 444167541 /nfs/dbraw/zinc/16/75/41/444167541.db2.gz MTOPWINJMOJMON-KRWDZBQOSA-N 1 2 329.448 1.206 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2ccccn2)CC1 ZINC000295157533 444167544 /nfs/dbraw/zinc/16/75/44/444167544.db2.gz MTOPWINJMOJMON-KRWDZBQOSA-N 1 2 329.448 1.206 20 30 EDEDLO Cn1cccc1[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289857177 444211768 /nfs/dbraw/zinc/21/17/68/444211768.db2.gz KXQHEEBBWFGUOD-MRXNPFEDSA-N 1 2 344.440 1.903 20 30 EDEDLO Cn1cccc1[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289857177 444211769 /nfs/dbraw/zinc/21/17/69/444211769.db2.gz KXQHEEBBWFGUOD-MRXNPFEDSA-N 1 2 344.440 1.903 20 30 EDEDLO CC(=O)c1ccc(C#N)c(NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000302119866 444204788 /nfs/dbraw/zinc/20/47/88/444204788.db2.gz TYCNHNMDLUBFKR-UHFFFAOYSA-N 1 2 349.456 1.682 20 30 EDEDLO N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000296743453 444251840 /nfs/dbraw/zinc/25/18/40/444251840.db2.gz OMVMMEBKXANUGW-UHFFFAOYSA-N 1 2 337.420 1.697 20 30 EDEDLO CC(C)CO[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290259798 444260202 /nfs/dbraw/zinc/26/02/02/444260202.db2.gz KNYYYNVLOGGXRC-OAHLLOKOSA-N 1 2 337.445 1.474 20 30 EDEDLO CC(C)CO[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000290259798 444260208 /nfs/dbraw/zinc/26/02/08/444260208.db2.gz KNYYYNVLOGGXRC-OAHLLOKOSA-N 1 2 337.445 1.474 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ncsc2C(C)C)CC1 ZINC000290290314 444263380 /nfs/dbraw/zinc/26/33/80/444263380.db2.gz ROOOEIPRRSSALS-UHFFFAOYSA-N 1 2 348.472 1.164 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ncsc2C(C)C)CC1 ZINC000290290314 444263381 /nfs/dbraw/zinc/26/33/81/444263381.db2.gz ROOOEIPRRSSALS-UHFFFAOYSA-N 1 2 348.472 1.164 20 30 EDEDLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC2)c1 ZINC000297855742 444342452 /nfs/dbraw/zinc/34/24/52/444342452.db2.gz OAHAKGKBFSBMEX-INIZCTEOSA-N 1 2 342.443 1.257 20 30 EDEDLO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC[C@H]1COc2ccccc2O1 ZINC000328771301 444346380 /nfs/dbraw/zinc/34/63/80/444346380.db2.gz GWHCIXAKRHSSDR-BFHYXJOUSA-N 1 2 345.399 1.834 20 30 EDEDLO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC[C@H]1COc2ccccc2O1 ZINC000328771301 444346382 /nfs/dbraw/zinc/34/63/82/444346382.db2.gz GWHCIXAKRHSSDR-BFHYXJOUSA-N 1 2 345.399 1.834 20 30 EDEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCc2n[nH]nc2C1 ZINC000328796339 444355947 /nfs/dbraw/zinc/35/59/47/444355947.db2.gz URUJGTGVTSBAHK-LBPRGKRZSA-N 1 2 326.404 1.930 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1C#N ZINC000324553112 444356446 /nfs/dbraw/zinc/35/64/46/444356446.db2.gz QDZSEGXFAURCTK-SWLSCSKDSA-N 1 2 334.445 1.509 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1C#N ZINC000324553112 444356448 /nfs/dbraw/zinc/35/64/48/444356448.db2.gz QDZSEGXFAURCTK-SWLSCSKDSA-N 1 2 334.445 1.509 20 30 EDEDLO CC(C)C[C@]1(CO)CCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000331011971 444358625 /nfs/dbraw/zinc/35/86/25/444358625.db2.gz JPMXAFYJCFBKEA-SFHVURJKSA-N 1 2 341.496 1.884 20 30 EDEDLO CC(C)C[C@]1(CO)CCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000331011971 444358628 /nfs/dbraw/zinc/35/86/28/444358628.db2.gz JPMXAFYJCFBKEA-SFHVURJKSA-N 1 2 341.496 1.884 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)[C@H]2CCNC2=O)c1 ZINC000340221887 444372389 /nfs/dbraw/zinc/37/23/89/444372389.db2.gz KCOKTXBUZWQUTF-RDJZCZTQSA-N 1 2 342.443 1.759 20 30 EDEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000340221887 444372393 /nfs/dbraw/zinc/37/23/93/444372393.db2.gz KCOKTXBUZWQUTF-RDJZCZTQSA-N 1 2 342.443 1.759 20 30 EDEDLO O=C(NCc1ccnc(N2CCOCC2)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328921257 444403877 /nfs/dbraw/zinc/40/38/77/444403877.db2.gz MCJXWAXVNCZABA-HNNXBMFYSA-N 1 2 341.415 1.834 20 30 EDEDLO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000331123648 444404249 /nfs/dbraw/zinc/40/42/49/444404249.db2.gz MXHCLNHWCLAKEX-GFCCVEGCSA-N 1 2 340.468 1.584 20 30 EDEDLO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000331123648 444404251 /nfs/dbraw/zinc/40/42/51/444404251.db2.gz MXHCLNHWCLAKEX-GFCCVEGCSA-N 1 2 340.468 1.584 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000331134782 444410459 /nfs/dbraw/zinc/41/04/59/444410459.db2.gz CEIQJDMCBMXPRZ-NSHDSACASA-N 1 2 344.234 1.184 20 30 EDEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1 ZINC000331134782 444410461 /nfs/dbraw/zinc/41/04/61/444410461.db2.gz CEIQJDMCBMXPRZ-NSHDSACASA-N 1 2 344.234 1.184 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000340452612 444387463 /nfs/dbraw/zinc/38/74/63/444387463.db2.gz XTLVPYHCLYDAHI-UHFFFAOYSA-N 1 2 326.400 1.582 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C[C@@H]21 ZINC000328892862 444391016 /nfs/dbraw/zinc/39/10/16/444391016.db2.gz UDLVRLDYFVITNU-IRXDYDNUSA-N 1 2 325.412 1.521 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C[C@@H]21 ZINC000328892862 444391019 /nfs/dbraw/zinc/39/10/19/444391019.db2.gz UDLVRLDYFVITNU-IRXDYDNUSA-N 1 2 325.412 1.521 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)C(=O)Nc1sccc1C#N)C1CC1 ZINC000340471380 444391303 /nfs/dbraw/zinc/39/13/03/444391303.db2.gz VYWUKAFIAJZPOY-LLVKDONJSA-N 1 2 329.385 1.559 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cnccc1Cl ZINC000298055368 444399379 /nfs/dbraw/zinc/39/93/79/444399379.db2.gz HHLPBOCIBBGVDY-UHFFFAOYSA-N 1 2 336.823 1.352 20 30 EDEDLO CC(C)[C@H]1C[N@H+](C)CCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000331234543 444453271 /nfs/dbraw/zinc/45/32/71/444453271.db2.gz CQGKERLBBUANJI-QGZVFWFLSA-N 1 2 335.473 1.604 20 30 EDEDLO CC(C)[C@H]1C[N@@H+](C)CCN1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000331234543 444453275 /nfs/dbraw/zinc/45/32/75/444453275.db2.gz CQGKERLBBUANJI-QGZVFWFLSA-N 1 2 335.473 1.604 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)Nc1cn(C)nc1C(F)(F)F)[NH+]1CCOCC1 ZINC000331336775 444466530 /nfs/dbraw/zinc/46/65/30/444466530.db2.gz YVXKKHDSOLDDOM-VHSXEESVSA-N 1 2 349.357 1.874 20 30 EDEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000329123473 444477752 /nfs/dbraw/zinc/47/77/52/444477752.db2.gz LLTWORJTXREEFV-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000329123473 444477756 /nfs/dbraw/zinc/47/77/56/444477756.db2.gz LLTWORJTXREEFV-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000581951525 322237931 /nfs/dbraw/zinc/23/79/31/322237931.db2.gz FFHCOJPLRRGHDK-HSZRJFAPSA-N 1 2 335.429 1.229 20 30 EDEDLO CCN(C(=O)NC[C@@H]1CCCn2cc[nH+]c21)[C@H]1CCS(=O)(=O)C1 ZINC000329264887 444516408 /nfs/dbraw/zinc/51/64/08/444516408.db2.gz FPPJDHQFLSCXJI-STQMWFEESA-N 1 2 340.449 1.184 20 30 EDEDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CCOCC2(CC2)C1 ZINC000329291288 444523112 /nfs/dbraw/zinc/52/31/12/444523112.db2.gz ARPZOCIUEZXBDE-UHFFFAOYSA-N 1 2 346.431 1.445 20 30 EDEDLO CC(C)Cn1ncc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1C1CC1 ZINC000329296247 444524977 /nfs/dbraw/zinc/52/49/77/444524977.db2.gz STTNDKGMOZDCAV-CVEARBPZSA-N 1 2 347.463 1.977 20 30 EDEDLO CC(C)Cn1ncc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1C1CC1 ZINC000329296247 444524981 /nfs/dbraw/zinc/52/49/81/444524981.db2.gz STTNDKGMOZDCAV-CVEARBPZSA-N 1 2 347.463 1.977 20 30 EDEDLO CN1CC[N@H+](C)[C@@H](CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000329420372 444572050 /nfs/dbraw/zinc/57/20/50/444572050.db2.gz FDHJXYRBXNLTHJ-AWEZNQCLSA-N 1 2 331.395 1.766 20 30 EDEDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000329420372 444572053 /nfs/dbraw/zinc/57/20/53/444572053.db2.gz FDHJXYRBXNLTHJ-AWEZNQCLSA-N 1 2 331.395 1.766 20 30 EDEDLO Cc1sc(=O)n(CCC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c1C ZINC000329331199 444537141 /nfs/dbraw/zinc/53/71/41/444537141.db2.gz ZKBJWGIBMSKWFJ-ZDUSSCGKSA-N 1 2 326.466 1.119 20 30 EDEDLO Cc1sc(=O)n(CCC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c1C ZINC000329331199 444537143 /nfs/dbraw/zinc/53/71/43/444537143.db2.gz ZKBJWGIBMSKWFJ-ZDUSSCGKSA-N 1 2 326.466 1.119 20 30 EDEDLO CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N[C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000329556141 444627278 /nfs/dbraw/zinc/62/72/78/444627278.db2.gz BRPQGVRGWMUABL-NWDGAFQWSA-N 1 2 343.435 1.501 20 30 EDEDLO CC(=O)NCc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000329523112 444614226 /nfs/dbraw/zinc/61/42/26/444614226.db2.gz PSYJURDTWRWAIL-JKSUJKDBSA-N 1 2 332.404 1.710 20 30 EDEDLO CC(=O)NCc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000329523112 444614233 /nfs/dbraw/zinc/61/42/33/444614233.db2.gz PSYJURDTWRWAIL-JKSUJKDBSA-N 1 2 332.404 1.710 20 30 EDEDLO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCOC[C@H]1CC(F)F ZINC000329534157 444617689 /nfs/dbraw/zinc/61/76/89/444617689.db2.gz KRAMQFHFFSTGOD-GFCCVEGCSA-N 1 2 333.379 1.121 20 30 EDEDLO CC(C)C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CCO1 ZINC000329544620 444622464 /nfs/dbraw/zinc/62/24/64/444622464.db2.gz GEQJOJQTQGQKRU-XUWVNRHRSA-N 1 2 325.453 1.509 20 30 EDEDLO CC(C)C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CCO1 ZINC000329544620 444622469 /nfs/dbraw/zinc/62/24/69/444622469.db2.gz GEQJOJQTQGQKRU-XUWVNRHRSA-N 1 2 325.453 1.509 20 30 EDEDLO C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000329633588 444657828 /nfs/dbraw/zinc/65/78/28/444657828.db2.gz WSQNZKYUKLBFJP-JYJNAYRXSA-N 1 2 347.463 1.615 20 30 EDEDLO C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000329633588 444657830 /nfs/dbraw/zinc/65/78/30/444657830.db2.gz WSQNZKYUKLBFJP-JYJNAYRXSA-N 1 2 347.463 1.615 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000329681666 444677721 /nfs/dbraw/zinc/67/77/21/444677721.db2.gz RYXQOCFOCFUCQS-TZMCWYRMSA-N 1 2 333.388 1.408 20 30 EDEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000329681666 444677725 /nfs/dbraw/zinc/67/77/25/444677725.db2.gz RYXQOCFOCFUCQS-TZMCWYRMSA-N 1 2 333.388 1.408 20 30 EDEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCN2C(=O)NC[C@H]2C1 ZINC000329783733 444715778 /nfs/dbraw/zinc/71/57/78/444715778.db2.gz VJXCIRNGWMCIKF-HNNXBMFYSA-N 1 2 340.387 1.200 20 30 EDEDLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCN2CCOC[C@@H]2C1 ZINC000329825274 444730798 /nfs/dbraw/zinc/73/07/98/444730798.db2.gz IBPLOPPRVXNBOG-INIZCTEOSA-N 1 2 341.415 1.303 20 30 EDEDLO O=C(N[C@H]1CCCS(=O)(=O)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329856990 444742031 /nfs/dbraw/zinc/74/20/31/444742031.db2.gz VDFLTFJFTAWEAQ-GXTWGEPZSA-N 1 2 339.417 1.026 20 30 EDEDLO C[C@@H]1OCC[C@]12CN(C(=O)NCc1cn3c([nH+]1)CCCC3)CCO2 ZINC000329901942 444759822 /nfs/dbraw/zinc/75/98/22/444759822.db2.gz HHUNMYOAKCPTRZ-GUYCJALGSA-N 1 2 334.420 1.513 20 30 EDEDLO O=C(C[N@@H+]1CCO[C@]2(CCOC2)C1)NCCc1c(F)cccc1F ZINC000329900699 444760716 /nfs/dbraw/zinc/76/07/16/444760716.db2.gz NZFFWYVYNLBNNJ-QGZVFWFLSA-N 1 2 340.370 1.955 20 30 EDEDLO O=C(C[N@H+]1CCO[C@]2(CCOC2)C1)NCCc1c(F)cccc1F ZINC000329900699 444760722 /nfs/dbraw/zinc/76/07/22/444760722.db2.gz NZFFWYVYNLBNNJ-QGZVFWFLSA-N 1 2 340.370 1.955 20 30 EDEDLO CC(=O)N[C@H](CC1CCC1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000329906690 444762423 /nfs/dbraw/zinc/76/24/23/444762423.db2.gz SIPXCAPYGKOBBS-XKQJLSEDSA-N 1 2 337.464 1.701 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cnn(-c4ccccc4)c3)C[C@H]21 ZINC000329953120 444784533 /nfs/dbraw/zinc/78/45/33/444784533.db2.gz JCJYTBZQOUXFHZ-CVEARBPZSA-N 1 2 327.388 1.433 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cnn(-c4ccccc4)c3)C[C@H]21 ZINC000329953120 444784535 /nfs/dbraw/zinc/78/45/35/444784535.db2.gz JCJYTBZQOUXFHZ-CVEARBPZSA-N 1 2 327.388 1.433 20 30 EDEDLO CN(C(=O)C[N@@H+]1CCCc2c(cnn2C)C1)C1(C#N)CCCCC1 ZINC000334061677 444767874 /nfs/dbraw/zinc/76/78/74/444767874.db2.gz YTWVAUPQKZHEFR-UHFFFAOYSA-N 1 2 329.448 1.853 20 30 EDEDLO CN(C(=O)C[N@H+]1CCCc2c(cnn2C)C1)C1(C#N)CCCCC1 ZINC000334061677 444767879 /nfs/dbraw/zinc/76/78/79/444767879.db2.gz YTWVAUPQKZHEFR-UHFFFAOYSA-N 1 2 329.448 1.853 20 30 EDEDLO C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](C2CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000329927924 444772901 /nfs/dbraw/zinc/77/29/01/444772901.db2.gz XIQYMLDMHAGMJL-HGTKMLMNSA-N 1 2 325.453 1.509 20 30 EDEDLO CC(=O)N1CCC[C@H](CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000329973318 444795109 /nfs/dbraw/zinc/79/51/09/444795109.db2.gz WVFFAKFINGMPBN-CABCVRRESA-N 1 2 333.436 1.523 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCOC3CCCCCC3)C[C@H]21 ZINC000329978907 444796335 /nfs/dbraw/zinc/79/63/35/444796335.db2.gz ILTRTEBVBQLYEK-HZPDHXFCSA-N 1 2 325.453 1.655 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCOC3CCCCCC3)C[C@H]21 ZINC000329978907 444796340 /nfs/dbraw/zinc/79/63/40/444796340.db2.gz ILTRTEBVBQLYEK-HZPDHXFCSA-N 1 2 325.453 1.655 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@H](C)O[C@@]3(CCOC3)C1)CCC2 ZINC000329986388 444800742 /nfs/dbraw/zinc/80/07/42/444800742.db2.gz FFHVHTUKCVFOPP-MPGHIAIKSA-N 1 2 348.447 1.863 20 30 EDEDLO COc1ccc2c(c1)OCC[N@H+]([C@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000338639285 444786659 /nfs/dbraw/zinc/78/66/59/444786659.db2.gz UHFJNTOZNTXTAP-CYBMUJFWSA-N 1 2 329.400 1.841 20 30 EDEDLO COc1ccc2c(c1)OCC[N@@H+]([C@H](C)C(=O)NC1(C#N)CCC1)C2 ZINC000338639285 444786662 /nfs/dbraw/zinc/78/66/62/444786662.db2.gz UHFJNTOZNTXTAP-CYBMUJFWSA-N 1 2 329.400 1.841 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000329961252 444788229 /nfs/dbraw/zinc/78/82/29/444788229.db2.gz OKGBJZVBNJTXPG-HUUCEWRRSA-N 1 2 334.807 1.814 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]21 ZINC000329961252 444788236 /nfs/dbraw/zinc/78/82/36/444788236.db2.gz OKGBJZVBNJTXPG-HUUCEWRRSA-N 1 2 334.807 1.814 20 30 EDEDLO C[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@]2(CCOC2)O1 ZINC000329963103 444789528 /nfs/dbraw/zinc/78/95/28/444789528.db2.gz PPYUXPFYTWOBRC-DYVFJYSZSA-N 1 2 334.420 1.513 20 30 EDEDLO O=C(NCc1ccn2cc[nH+]c2c1)NC1CCN(C(=O)C2CC2)CC1 ZINC000329965566 444790769 /nfs/dbraw/zinc/79/07/69/444790769.db2.gz RGVXMWQDQSLVCR-UHFFFAOYSA-N 1 2 341.415 1.739 20 30 EDEDLO C[C@H](C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000330078000 444835820 /nfs/dbraw/zinc/83/58/20/444835820.db2.gz NHUBGIQSXJEFTF-JMSVASOKSA-N 1 2 344.477 1.408 20 30 EDEDLO C[C@H](C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)S(=O)(=O)C1CCOCC1 ZINC000330078000 444835824 /nfs/dbraw/zinc/83/58/24/444835824.db2.gz NHUBGIQSXJEFTF-JMSVASOKSA-N 1 2 344.477 1.408 20 30 EDEDLO CC(=O)N1CC[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000330189404 444879409 /nfs/dbraw/zinc/87/94/09/444879409.db2.gz VGIZKDATJFEZOE-GOEBONIOSA-N 1 2 341.477 1.019 20 30 EDEDLO Cc1nccc(NC(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)n1 ZINC000330160706 444867994 /nfs/dbraw/zinc/86/79/94/444867994.db2.gz SHFXXDJIQIKZDN-NSHDSACASA-N 1 2 332.408 1.456 20 30 EDEDLO Cn1nccc1N1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1=O ZINC000330162294 444868762 /nfs/dbraw/zinc/86/87/62/444868762.db2.gz SFRSNJITOXSNRY-STQMWFEESA-N 1 2 342.403 1.331 20 30 EDEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000330235832 444900422 /nfs/dbraw/zinc/90/04/22/444900422.db2.gz YZGPTNSFQPBWCZ-PMPSAXMXSA-N 1 2 325.453 1.368 20 30 EDEDLO O=C(NC[C@H](O)C[NH+]1CCOCC1)[C@H]1CCCN1c1ccccc1 ZINC000330250056 444907200 /nfs/dbraw/zinc/90/72/00/444907200.db2.gz GQXPINSCGDTTPS-DLBZAZTESA-N 1 2 333.432 1.305 20 30 EDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000330260318 444912160 /nfs/dbraw/zinc/91/21/60/444912160.db2.gz OFJXMLRZEZKHSW-FRFSOERESA-N 1 2 347.463 1.224 20 30 EDEDLO CC[C@@H]1CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000330260318 444912163 /nfs/dbraw/zinc/91/21/63/444912163.db2.gz OFJXMLRZEZKHSW-FRFSOERESA-N 1 2 347.463 1.224 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330297853 444927843 /nfs/dbraw/zinc/92/78/43/444927843.db2.gz LEFZOEWPDYPQLR-QZWWFDLISA-N 1 2 339.480 1.553 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000330297853 444927847 /nfs/dbraw/zinc/92/78/47/444927847.db2.gz LEFZOEWPDYPQLR-QZWWFDLISA-N 1 2 339.480 1.553 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000330297853 444927849 /nfs/dbraw/zinc/92/78/49/444927849.db2.gz LEFZOEWPDYPQLR-QZWWFDLISA-N 1 2 339.480 1.553 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000330297853 444927853 /nfs/dbraw/zinc/92/78/53/444927853.db2.gz LEFZOEWPDYPQLR-QZWWFDLISA-N 1 2 339.480 1.553 20 30 EDEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1c[nH]nc1[C@H]1CCOC1 ZINC000330355482 444950239 /nfs/dbraw/zinc/95/02/39/444950239.db2.gz QQANZSDVYBFCKZ-LBPRGKRZSA-N 1 2 329.404 1.994 20 30 EDEDLO CC(=O)N(C)C1CCN(C([O-])=[NH+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000330426957 444977464 /nfs/dbraw/zinc/97/74/64/444977464.db2.gz GXTJQIZCOYQDEY-ZDUSSCGKSA-N 1 2 335.452 1.684 20 30 EDEDLO COc1ccc(NC(=O)CN2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1OC ZINC000330326763 444938255 /nfs/dbraw/zinc/93/82/55/444938255.db2.gz KHPPSIOUXMYHBI-XJKSGUPXSA-N 1 2 335.404 1.307 20 30 EDEDLO COc1ccc(NC(=O)CN2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1OC ZINC000330326763 444938261 /nfs/dbraw/zinc/93/82/61/444938261.db2.gz KHPPSIOUXMYHBI-XJKSGUPXSA-N 1 2 335.404 1.307 20 30 EDEDLO COc1ccc(NC(=O)C[N@@H+]2C[C@H]3OCCN(C)[C@H]3C2)cc1OC ZINC000330326763 444938266 /nfs/dbraw/zinc/93/82/66/444938266.db2.gz KHPPSIOUXMYHBI-XJKSGUPXSA-N 1 2 335.404 1.307 20 30 EDEDLO COc1ccc(NC(=O)C[N@H+]2C[C@H]3OCCN(C)[C@H]3C2)cc1OC ZINC000330326763 444938271 /nfs/dbraw/zinc/93/82/71/444938271.db2.gz KHPPSIOUXMYHBI-XJKSGUPXSA-N 1 2 335.404 1.307 20 30 EDEDLO C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C(=O)NC(C)(C)C ZINC000330463326 444991849 /nfs/dbraw/zinc/99/18/49/444991849.db2.gz CMUAMNPQPLHSHF-LBPRGKRZSA-N 1 2 335.452 1.569 20 30 EDEDLO CC(=O)N1CC[NH+](CCNC(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000330518631 445015484 /nfs/dbraw/zinc/01/54/84/445015484.db2.gz GMFWGTZYDSWOLP-UHFFFAOYSA-N 1 2 329.322 1.573 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000330596666 445053443 /nfs/dbraw/zinc/05/34/43/445053443.db2.gz YKXBOELRTPWGII-CABCVRRESA-N 1 2 335.473 1.746 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000330596666 445053445 /nfs/dbraw/zinc/05/34/45/445053445.db2.gz YKXBOELRTPWGII-CABCVRRESA-N 1 2 335.473 1.746 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339157629 445062947 /nfs/dbraw/zinc/06/29/47/445062947.db2.gz LSBOQTRGDNCWKF-YCPHGPKFSA-N 1 2 343.493 1.186 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000339157629 445062951 /nfs/dbraw/zinc/06/29/51/445062951.db2.gz LSBOQTRGDNCWKF-YCPHGPKFSA-N 1 2 343.493 1.186 20 30 EDEDLO Cc1nc(C(=O)N(C)C)ccc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000330625445 445066700 /nfs/dbraw/zinc/06/67/00/445066700.db2.gz SZNMYGAKOQMBEI-LBPRGKRZSA-N 1 2 334.420 1.117 20 30 EDEDLO Cc1nc(C(=O)N(C)C)ccc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000330625445 445066704 /nfs/dbraw/zinc/06/67/04/445066704.db2.gz SZNMYGAKOQMBEI-LBPRGKRZSA-N 1 2 334.420 1.117 20 30 EDEDLO CC[C@@]1(C)COCC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000330657265 445083447 /nfs/dbraw/zinc/08/34/47/445083447.db2.gz VRIUDXOYEMSVAV-WMZOPIPTSA-N 1 2 336.480 1.180 20 30 EDEDLO CC[C@@]1(C)COCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000330657265 445083450 /nfs/dbraw/zinc/08/34/50/445083450.db2.gz VRIUDXOYEMSVAV-WMZOPIPTSA-N 1 2 336.480 1.180 20 30 EDEDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000330703187 445103729 /nfs/dbraw/zinc/10/37/29/445103729.db2.gz KSTIPRZYFUYUGZ-UHFFFAOYSA-N 1 2 346.353 1.951 20 30 EDEDLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)n1cnc(C#N)n1 ZINC000337566663 445140434 /nfs/dbraw/zinc/14/04/34/445140434.db2.gz BNJYRKMMDHPSIK-FZMZJTMJSA-N 1 2 328.351 1.023 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000342004379 445118814 /nfs/dbraw/zinc/11/88/14/445118814.db2.gz YGFHQTNJGMTNHB-UHFFFAOYSA-N 1 2 330.388 1.587 20 30 EDEDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000343269007 445170048 /nfs/dbraw/zinc/17/00/48/445170048.db2.gz MYSJGITZLYTQEP-BBRMVZONSA-N 1 2 349.456 1.244 20 30 EDEDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000343269007 445170053 /nfs/dbraw/zinc/17/00/53/445170053.db2.gz MYSJGITZLYTQEP-BBRMVZONSA-N 1 2 349.456 1.244 20 30 EDEDLO N#CCCCS(=O)(=O)c1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000345315836 445180424 /nfs/dbraw/zinc/18/04/24/445180424.db2.gz XIQBBOWADHFWFG-UHFFFAOYSA-N 1 2 346.412 1.460 20 30 EDEDLO C[N@H+](Cc1ccc(C#N)cc1Br)[C@@]1(CO)CCOC1 ZINC000330909532 445190149 /nfs/dbraw/zinc/19/01/49/445190149.db2.gz URVWYTSPACGENK-CQSZACIVSA-N 1 2 325.206 1.904 20 30 EDEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@@]1(CO)CCOC1 ZINC000330909532 445190151 /nfs/dbraw/zinc/19/01/51/445190151.db2.gz URVWYTSPACGENK-CQSZACIVSA-N 1 2 325.206 1.904 20 30 EDEDLO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@@]1=O ZINC000330832790 445158633 /nfs/dbraw/zinc/15/86/33/445158633.db2.gz HLRJWVFVQKIVMS-SAHAZLINSA-N 1 2 339.848 1.993 20 30 EDEDLO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@@]1=O ZINC000330832790 445158637 /nfs/dbraw/zinc/15/86/37/445158637.db2.gz HLRJWVFVQKIVMS-SAHAZLINSA-N 1 2 339.848 1.993 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337598581 445159259 /nfs/dbraw/zinc/15/92/59/445159259.db2.gz CBPLTEPUVXEAIA-KDOFPFPSSA-N 1 2 336.395 1.894 20 30 EDEDLO CC[C@H](NC(=O)N(CCC#N)CC[NH+]1CCOCC1)C(F)(F)F ZINC000347797676 445248716 /nfs/dbraw/zinc/24/87/16/445248716.db2.gz KGZJUICVJRIJCT-LBPRGKRZSA-N 1 2 336.358 1.585 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)cc1 ZINC000347973404 445259718 /nfs/dbraw/zinc/25/97/18/445259718.db2.gz CWKZYUZLPVMYLQ-CQSZACIVSA-N 1 2 348.428 1.755 20 30 EDEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000348222638 445320994 /nfs/dbraw/zinc/32/09/94/445320994.db2.gz FTRIIAVVBIGUIQ-CYBMUJFWSA-N 1 2 345.490 1.085 20 30 EDEDLO CC[C@H]1CN(Cc2c[nH+]c3ccc(C#N)cn23)C[C@H](C)S1(=O)=O ZINC000349037379 445483627 /nfs/dbraw/zinc/48/36/27/445483627.db2.gz RPPDMUFLAOHDIL-WFASDCNBSA-N 1 2 332.429 1.603 20 30 EDEDLO N#CC1(F)CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000352468623 445532334 /nfs/dbraw/zinc/53/23/34/445532334.db2.gz UCFRFVJVMRQMBC-ZDUSSCGKSA-N 1 2 333.363 1.270 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CC(=O)NCc1cccs1 ZINC000353275170 445584834 /nfs/dbraw/zinc/58/48/34/445584834.db2.gz RQCLAFZBDSHQQX-ZDUSSCGKSA-N 1 2 336.461 1.304 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000353275170 445584836 /nfs/dbraw/zinc/58/48/36/445584836.db2.gz RQCLAFZBDSHQQX-ZDUSSCGKSA-N 1 2 336.461 1.304 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000352583153 445539739 /nfs/dbraw/zinc/53/97/39/445539739.db2.gz NKSWEJHFXINNAG-ZDUSSCGKSA-N 1 2 331.391 1.566 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000352583153 445539742 /nfs/dbraw/zinc/53/97/42/445539742.db2.gz NKSWEJHFXINNAG-ZDUSSCGKSA-N 1 2 331.391 1.566 20 30 EDEDLO CCN1CCN(C(=O)NCc2ccc(C#N)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000353471047 445616922 /nfs/dbraw/zinc/61/69/22/445616922.db2.gz FJXYHWCYMYMIHK-MRXNPFEDSA-N 1 2 338.415 1.870 20 30 EDEDLO C=CCN(C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C1CC1 ZINC000363025549 445654424 /nfs/dbraw/zinc/65/44/24/445654424.db2.gz MFEMRKWHHUHMTQ-MRXNPFEDSA-N 1 2 325.478 1.554 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NCCCC#N ZINC000349899293 445716086 /nfs/dbraw/zinc/71/60/86/445716086.db2.gz VKZRBAOMZSQHCX-KBPBESRZSA-N 1 2 337.399 1.807 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NCCCC#N ZINC000349899293 445716089 /nfs/dbraw/zinc/71/60/89/445716089.db2.gz VKZRBAOMZSQHCX-KBPBESRZSA-N 1 2 337.399 1.807 20 30 EDEDLO C=CCOC[C@@H](NC(=O)Cn1c(C)[nH+]c2ccccc21)C(=O)OC ZINC000360724455 445726454 /nfs/dbraw/zinc/72/64/54/445726454.db2.gz BRBXFYSIZZEFCM-CQSZACIVSA-N 1 2 331.372 1.205 20 30 EDEDLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000356535032 445846431 /nfs/dbraw/zinc/84/64/31/445846431.db2.gz QXGQCDTTYLIIJW-GOEBONIOSA-N 1 2 340.383 1.698 20 30 EDEDLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000356535032 445846432 /nfs/dbraw/zinc/84/64/32/445846432.db2.gz QXGQCDTTYLIIJW-GOEBONIOSA-N 1 2 340.383 1.698 20 30 EDEDLO CO[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)c1ccc(O)cc1 ZINC000354090322 445896304 /nfs/dbraw/zinc/89/63/04/445896304.db2.gz IRKGOZNSWRMEAP-QGZVFWFLSA-N 1 2 347.415 1.154 20 30 EDEDLO C=C(Cl)CNC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000369153654 445956853 /nfs/dbraw/zinc/95/68/53/445956853.db2.gz GCVZUDGUHVPTFT-IUODEOHRSA-N 1 2 338.839 1.979 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000361791374 445948310 /nfs/dbraw/zinc/94/83/10/445948310.db2.gz ZTODLTMSGZLXPU-AWEZNQCLSA-N 1 2 330.413 1.778 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC000369796447 446154981 /nfs/dbraw/zinc/15/49/81/446154981.db2.gz NZIFDTBTYQUQQD-IAGOWNOFSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC000369796447 446154984 /nfs/dbraw/zinc/15/49/84/446154984.db2.gz NZIFDTBTYQUQQD-IAGOWNOFSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3[nH]ccc3s2)CC1 ZINC000369797655 446156169 /nfs/dbraw/zinc/15/61/69/446156169.db2.gz XEDRQQPRHUMGPE-UHFFFAOYSA-N 1 2 344.440 1.127 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3[nH]ccc3s2)CC1 ZINC000369797655 446156175 /nfs/dbraw/zinc/15/61/75/446156175.db2.gz XEDRQQPRHUMGPE-UHFFFAOYSA-N 1 2 344.440 1.127 20 30 EDEDLO CC(C)CC[C@H](O)C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000366429646 446210579 /nfs/dbraw/zinc/21/05/79/446210579.db2.gz LQFMSMLKLDCFHB-SFHVURJKSA-N 1 2 329.444 2.000 20 30 EDEDLO CC(C)CC[C@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000366429646 446210584 /nfs/dbraw/zinc/21/05/84/446210584.db2.gz LQFMSMLKLDCFHB-SFHVURJKSA-N 1 2 329.444 2.000 20 30 EDEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366552122 446258522 /nfs/dbraw/zinc/25/85/22/446258522.db2.gz KYUKCPRSUACDSJ-INIZCTEOSA-N 1 2 343.427 1.649 20 30 EDEDLO COC1(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCOCC1 ZINC000370445829 446282639 /nfs/dbraw/zinc/28/26/39/446282639.db2.gz YGPVWPMUWQPJDM-SFHVURJKSA-N 1 2 329.444 1.892 20 30 EDEDLO COC1(C[N@H+]2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCOCC1 ZINC000370445829 446282640 /nfs/dbraw/zinc/28/26/40/446282640.db2.gz YGPVWPMUWQPJDM-SFHVURJKSA-N 1 2 329.444 1.892 20 30 EDEDLO C#CCCCC(=O)N1CCO[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000365842418 446365479 /nfs/dbraw/zinc/36/54/79/446365479.db2.gz BVAOPGXKSLYVBU-OAHLLOKOSA-N 1 2 338.448 1.291 20 30 EDEDLO C#CCCCC(=O)N1CCO[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000365842418 446365484 /nfs/dbraw/zinc/36/54/84/446365484.db2.gz BVAOPGXKSLYVBU-OAHLLOKOSA-N 1 2 338.448 1.291 20 30 EDEDLO COc1cccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)n1 ZINC000374369052 446366832 /nfs/dbraw/zinc/36/68/32/446366832.db2.gz XQUXKURLOAEOMD-BFUOFWGJSA-N 1 2 334.379 1.936 20 30 EDEDLO COc1cccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)n1 ZINC000374369052 446366833 /nfs/dbraw/zinc/36/68/33/446366833.db2.gz XQUXKURLOAEOMD-BFUOFWGJSA-N 1 2 334.379 1.936 20 30 EDEDLO Cc1cc(C#N)cc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1 ZINC000376188907 446372573 /nfs/dbraw/zinc/37/25/73/446372573.db2.gz RMGGXQXWSZIYCL-SFHVURJKSA-N 1 2 343.475 1.493 20 30 EDEDLO N#Cc1cccc(CCNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000366870756 446390672 /nfs/dbraw/zinc/39/06/72/446390672.db2.gz QPVJQEILPRAFEH-GOSISDBHSA-N 1 2 327.428 1.718 20 30 EDEDLO N#Cc1cccc(CCNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000366870756 446390677 /nfs/dbraw/zinc/39/06/77/446390677.db2.gz QPVJQEILPRAFEH-GOSISDBHSA-N 1 2 327.428 1.718 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000366970155 446435595 /nfs/dbraw/zinc/43/55/95/446435595.db2.gz PTSCIYNVPABPEO-CYBMUJFWSA-N 1 2 347.444 1.655 20 30 EDEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+]([C@@H](C)CCC#N)CC1 ZINC000411146154 446409652 /nfs/dbraw/zinc/40/96/52/446409652.db2.gz MQPBINZXRBKOLG-LBPRGKRZSA-N 1 2 340.449 1.680 20 30 EDEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+]([C@@H](C)CCC#N)CC1 ZINC000411146154 446409653 /nfs/dbraw/zinc/40/96/53/446409653.db2.gz MQPBINZXRBKOLG-LBPRGKRZSA-N 1 2 340.449 1.680 20 30 EDEDLO COC(=O)C[C@H]1COCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000376534052 446559237 /nfs/dbraw/zinc/55/92/37/446559237.db2.gz UICHFOUIZHFQSU-LBPRGKRZSA-N 1 2 337.401 1.212 20 30 EDEDLO COC(=O)C[C@H]1COCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000376534052 446559239 /nfs/dbraw/zinc/55/92/39/446559239.db2.gz UICHFOUIZHFQSU-LBPRGKRZSA-N 1 2 337.401 1.212 20 30 EDEDLO N#CCc1ccc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cc1 ZINC000433959020 446612365 /nfs/dbraw/zinc/61/23/65/446612365.db2.gz JUAMNLPBFBJAHN-UHFFFAOYSA-N 1 2 348.406 1.848 20 30 EDEDLO N#CCc1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cc1 ZINC000433959020 446612371 /nfs/dbraw/zinc/61/23/71/446612371.db2.gz JUAMNLPBFBJAHN-UHFFFAOYSA-N 1 2 348.406 1.848 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)nc1Cl ZINC000375099787 446580410 /nfs/dbraw/zinc/58/04/10/446580410.db2.gz HVIGWZDWDWMCLJ-CYBMUJFWSA-N 1 2 334.807 1.543 20 30 EDEDLO Cc1cccc(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1C#N ZINC000420455175 446632867 /nfs/dbraw/zinc/63/28/67/446632867.db2.gz ZAHLNWSSUKHUGU-LLVKDONJSA-N 1 2 329.372 1.390 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCOC)[C@@H]1CCCc2cccnc21 ZINC000368371307 446818493 /nfs/dbraw/zinc/81/84/93/446818493.db2.gz PIUPYILRVUWDNV-OAHLLOKOSA-N 1 2 346.431 1.419 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](CCOC)[C@@H]1CCCc2cccnc21 ZINC000368371307 446818497 /nfs/dbraw/zinc/81/84/97/446818497.db2.gz PIUPYILRVUWDNV-OAHLLOKOSA-N 1 2 346.431 1.419 20 30 EDEDLO CC(C)Oc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1C#N ZINC000440275971 446841029 /nfs/dbraw/zinc/84/10/29/446841029.db2.gz LHXAUFUUISFMFY-ZDUSSCGKSA-N 1 2 344.415 1.446 20 30 EDEDLO CC(C)Oc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1C#N ZINC000440275971 446841039 /nfs/dbraw/zinc/84/10/39/446841039.db2.gz LHXAUFUUISFMFY-ZDUSSCGKSA-N 1 2 344.415 1.446 20 30 EDEDLO N#CCOc1ccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)cc1 ZINC000371736674 446955508 /nfs/dbraw/zinc/95/55/08/446955508.db2.gz YHLUQWIBQDIHQN-UHFFFAOYSA-N 1 2 329.400 1.460 20 30 EDEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000377346065 447081559 /nfs/dbraw/zinc/08/15/59/447081559.db2.gz NXMWXNKMIADCPG-IXDOHACOSA-N 1 2 337.464 1.474 20 30 EDEDLO CO[C@H](C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1 ZINC000425389245 447138396 /nfs/dbraw/zinc/13/83/96/447138396.db2.gz YNOAXUMDPWIPIE-QGZVFWFLSA-N 1 2 349.456 1.290 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444793198 447138862 /nfs/dbraw/zinc/13/88/62/447138862.db2.gz GWDTVPUTGINXCI-IJEWVQPXSA-N 1 2 343.493 1.328 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444793198 447138872 /nfs/dbraw/zinc/13/88/72/447138872.db2.gz GWDTVPUTGINXCI-IJEWVQPXSA-N 1 2 343.493 1.328 20 30 EDEDLO C=CCC(CC=C)C(=O)N1C[C@@H](O)[C@H]([N@H+](CC)Cc2nnc(C)o2)C1 ZINC000372565662 447144892 /nfs/dbraw/zinc/14/48/92/447144892.db2.gz BWNABEVYFQNFKD-HZPDHXFCSA-N 1 2 348.447 1.540 20 30 EDEDLO C=CCC(CC=C)C(=O)N1C[C@@H](O)[C@H]([N@@H+](CC)Cc2nnc(C)o2)C1 ZINC000372565662 447144904 /nfs/dbraw/zinc/14/49/04/447144904.db2.gz BWNABEVYFQNFKD-HZPDHXFCSA-N 1 2 348.447 1.540 20 30 EDEDLO C[C@H]1CC[S@](=O)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000375941738 447165349 /nfs/dbraw/zinc/16/53/49/447165349.db2.gz MPDSYGCICYBMHE-MQJDWESPSA-N 1 2 325.459 1.791 20 30 EDEDLO C[C@H]1CC[S@](=O)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000375941738 447165352 /nfs/dbraw/zinc/16/53/52/447165352.db2.gz MPDSYGCICYBMHE-MQJDWESPSA-N 1 2 325.459 1.791 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000444720516 447129253 /nfs/dbraw/zinc/12/92/53/447129253.db2.gz PJAFEXZKRMYPPR-MGPQQGTHSA-N 1 2 341.333 1.720 20 30 EDEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000444720516 447129257 /nfs/dbraw/zinc/12/92/57/447129257.db2.gz PJAFEXZKRMYPPR-MGPQQGTHSA-N 1 2 341.333 1.720 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000444740712 447134515 /nfs/dbraw/zinc/13/45/15/447134515.db2.gz XJLXBVBWXLXZDC-NUJGCVRESA-N 1 2 349.427 1.153 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000444740712 447134520 /nfs/dbraw/zinc/13/45/20/447134520.db2.gz XJLXBVBWXLXZDC-NUJGCVRESA-N 1 2 349.427 1.153 20 30 EDEDLO Cn1cc(C[N@@H+]2CCc3ncnc(N4CCOCC4)c3C2)cc1C#N ZINC000368989057 447250163 /nfs/dbraw/zinc/25/01/63/447250163.db2.gz FXVWGWSVZIJJKV-UHFFFAOYSA-N 1 2 338.415 1.082 20 30 EDEDLO Cn1cc(C[N@H+]2CCc3ncnc(N4CCOCC4)c3C2)cc1C#N ZINC000368989057 447250165 /nfs/dbraw/zinc/25/01/65/447250165.db2.gz FXVWGWSVZIJJKV-UHFFFAOYSA-N 1 2 338.415 1.082 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc2cc(Cl)cnc2[nH]1 ZINC000414097975 447274837 /nfs/dbraw/zinc/27/48/37/447274837.db2.gz OJSQXAVWEMQICB-SNVBAGLBSA-N 1 2 325.825 1.910 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc2cc(Cl)cnc2[nH]1 ZINC000414097975 447274841 /nfs/dbraw/zinc/27/48/41/447274841.db2.gz OJSQXAVWEMQICB-SNVBAGLBSA-N 1 2 325.825 1.910 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000455981864 447275701 /nfs/dbraw/zinc/27/57/01/447275701.db2.gz HEMKRSFJMJUSDW-MRXNPFEDSA-N 1 2 332.404 1.024 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@](C)(c2ccc(F)cc2)C1=O ZINC000414127852 447276270 /nfs/dbraw/zinc/27/62/70/447276270.db2.gz QMFPVRYZUARSQK-MAUKXSAKSA-N 1 2 347.390 1.049 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@](C)(c2ccc(F)cc2)C1=O ZINC000414127852 447276273 /nfs/dbraw/zinc/27/62/73/447276273.db2.gz QMFPVRYZUARSQK-MAUKXSAKSA-N 1 2 347.390 1.049 20 30 EDEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCC(C)(C)CC#N)c1C ZINC000422486050 447589084 /nfs/dbraw/zinc/58/90/84/447589084.db2.gz FSBLFNPGJXZQDB-UHFFFAOYSA-N 1 2 346.431 1.722 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000394451458 447537102 /nfs/dbraw/zinc/53/71/02/447537102.db2.gz ZADTYZXOSRKIOX-NVXWUHKLSA-N 1 2 342.443 1.682 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000394451458 447537107 /nfs/dbraw/zinc/53/71/07/447537107.db2.gz ZADTYZXOSRKIOX-NVXWUHKLSA-N 1 2 342.443 1.682 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000394451458 447537113 /nfs/dbraw/zinc/53/71/13/447537113.db2.gz ZADTYZXOSRKIOX-NVXWUHKLSA-N 1 2 342.443 1.682 20 30 EDEDLO Cc1cc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)ncc1C#N ZINC000457772859 447626437 /nfs/dbraw/zinc/62/64/37/447626437.db2.gz WBROVYHJOUPADP-UHFFFAOYSA-N 1 2 349.394 1.357 20 30 EDEDLO Cc1cc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)ncc1C#N ZINC000457772859 447626440 /nfs/dbraw/zinc/62/64/40/447626440.db2.gz WBROVYHJOUPADP-UHFFFAOYSA-N 1 2 349.394 1.357 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)CC12COC2 ZINC000451132574 447695333 /nfs/dbraw/zinc/69/53/33/447695333.db2.gz JAJCFWKJVIRAGX-HNNXBMFYSA-N 1 2 343.383 1.008 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC12COC2 ZINC000451132574 447695340 /nfs/dbraw/zinc/69/53/40/447695340.db2.gz JAJCFWKJVIRAGX-HNNXBMFYSA-N 1 2 343.383 1.008 20 30 EDEDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000496065125 447702567 /nfs/dbraw/zinc/70/25/67/447702567.db2.gz WKFDLZNMHNLUPQ-HNNXBMFYSA-N 1 2 327.388 1.869 20 30 EDEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000496065125 447702571 /nfs/dbraw/zinc/70/25/71/447702571.db2.gz WKFDLZNMHNLUPQ-HNNXBMFYSA-N 1 2 327.388 1.869 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C#N)CC1(C)C ZINC000427885071 447667266 /nfs/dbraw/zinc/66/72/66/447667266.db2.gz HWUAVOKFSZWOMS-SUMWQHHRSA-N 1 2 331.420 1.292 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C#N)CC1(C)C ZINC000427885071 447667272 /nfs/dbraw/zinc/66/72/72/447667272.db2.gz HWUAVOKFSZWOMS-SUMWQHHRSA-N 1 2 331.420 1.292 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428698690 447715097 /nfs/dbraw/zinc/71/50/97/447715097.db2.gz HNXQAUWMFJRRAO-UHFFFAOYSA-N 1 2 340.489 1.478 20 30 EDEDLO C[N@H+](CC#Cc1ccccc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428803898 447716398 /nfs/dbraw/zinc/71/63/98/447716398.db2.gz LZLHIGOZDGFZKT-AWEZNQCLSA-N 1 2 326.849 1.657 20 30 EDEDLO C[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428803898 447716401 /nfs/dbraw/zinc/71/64/01/447716401.db2.gz LZLHIGOZDGFZKT-AWEZNQCLSA-N 1 2 326.849 1.657 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459643387 447729427 /nfs/dbraw/zinc/72/94/27/447729427.db2.gz HZBLVPVUSSBXMN-DIFFPNOSSA-N 1 2 349.456 1.255 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459643387 447729430 /nfs/dbraw/zinc/72/94/30/447729430.db2.gz HZBLVPVUSSBXMN-DIFFPNOSSA-N 1 2 349.456 1.255 20 30 EDEDLO CN(C)C(=O)O[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000496258637 447750288 /nfs/dbraw/zinc/75/02/88/447750288.db2.gz YVENSTZHIQPSCK-LSDHHAIUSA-N 1 2 330.388 1.247 20 30 EDEDLO CN(C)C(=O)O[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000496258637 447750292 /nfs/dbraw/zinc/75/02/92/447750292.db2.gz YVENSTZHIQPSCK-LSDHHAIUSA-N 1 2 330.388 1.247 20 30 EDEDLO Cc1cc(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)ccc1C#N ZINC000488222912 447843823 /nfs/dbraw/zinc/84/38/23/447843823.db2.gz AUKQYGNEIMNVAS-KRWDZBQOSA-N 1 2 340.471 1.995 20 30 EDEDLO Cc1cc(C[NH+]2CCN([C@@H](C)C(=O)N3CCCC3)CC2)ccc1C#N ZINC000488222912 447843825 /nfs/dbraw/zinc/84/38/25/447843825.db2.gz AUKQYGNEIMNVAS-KRWDZBQOSA-N 1 2 340.471 1.995 20 30 EDEDLO C[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C#N)cc1 ZINC000496717667 447854962 /nfs/dbraw/zinc/85/49/62/447854962.db2.gz IKYPVSMARQSNBP-UHFFFAOYSA-N 1 2 332.404 1.953 20 30 EDEDLO C[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C#N)cc1 ZINC000496717667 447854963 /nfs/dbraw/zinc/85/49/63/447854963.db2.gz IKYPVSMARQSNBP-UHFFFAOYSA-N 1 2 332.404 1.953 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(S(C)(=O)=O)cc(C)c1C ZINC000490893605 447904053 /nfs/dbraw/zinc/90/40/53/447904053.db2.gz VTZOWXLUHDYDSQ-OAHLLOKOSA-N 1 2 349.452 1.961 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(S(C)(=O)=O)cc(C)c1C ZINC000490893605 447904058 /nfs/dbraw/zinc/90/40/58/447904058.db2.gz VTZOWXLUHDYDSQ-OAHLLOKOSA-N 1 2 349.452 1.961 20 30 EDEDLO C#C[C@@H](CC)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000491219352 447962086 /nfs/dbraw/zinc/96/20/86/447962086.db2.gz DOGGLILAKOKAGD-ZDUSSCGKSA-N 1 2 329.404 1.003 20 30 EDEDLO Cc1nnc([C@H]2CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000570780296 448061591 /nfs/dbraw/zinc/06/15/91/448061591.db2.gz VYTRMBTWWCYCGG-HOCLYGCPSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1nnc([C@H]2CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000570780296 448061594 /nfs/dbraw/zinc/06/15/94/448061594.db2.gz VYTRMBTWWCYCGG-HOCLYGCPSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1n[nH]c([C@H]2CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000570780296 448061599 /nfs/dbraw/zinc/06/15/99/448061599.db2.gz VYTRMBTWWCYCGG-HOCLYGCPSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1n[nH]c([C@H]2CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000570780296 448061602 /nfs/dbraw/zinc/06/16/02/448061602.db2.gz VYTRMBTWWCYCGG-HOCLYGCPSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1nc([C@H]2CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000570780296 448061608 /nfs/dbraw/zinc/06/16/08/448061608.db2.gz VYTRMBTWWCYCGG-HOCLYGCPSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1nc([C@H]2CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000570780296 448061615 /nfs/dbraw/zinc/06/16/15/448061615.db2.gz VYTRMBTWWCYCGG-HOCLYGCPSA-N 1 2 336.399 1.580 20 30 EDEDLO N#CCNC(=O)C[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000507278772 448138362 /nfs/dbraw/zinc/13/83/62/448138362.db2.gz LDWKWKGLRMTRFZ-KRWDZBQOSA-N 1 2 340.358 1.735 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N[C@@H]2CCCc3ccccc32)C1=O ZINC000531949604 448175599 /nfs/dbraw/zinc/17/55/99/448175599.db2.gz CDTOVTKXDBZMNB-QZTJIDSGSA-N 1 2 341.455 1.899 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N[C@@H]2CCCc3ccccc32)C1=O ZINC000531949604 448175604 /nfs/dbraw/zinc/17/56/04/448175604.db2.gz CDTOVTKXDBZMNB-QZTJIDSGSA-N 1 2 341.455 1.899 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)c2c[nH]c3ncccc23)C1=O ZINC000531948802 448175782 /nfs/dbraw/zinc/17/57/82/448175782.db2.gz VLEYCDMRFOOPFY-SWLSCSKDSA-N 1 2 326.400 1.853 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)c2c[nH]c3ncccc23)C1=O ZINC000531948802 448175786 /nfs/dbraw/zinc/17/57/86/448175786.db2.gz VLEYCDMRFOOPFY-SWLSCSKDSA-N 1 2 326.400 1.853 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(OC[C@H]2CCCO2)c1 ZINC000515166616 448267878 /nfs/dbraw/zinc/26/78/78/448267878.db2.gz XEDKGNZMFCFTMM-SJLPKXTDSA-N 1 2 333.432 1.863 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(OC[C@H]2CCCO2)c1 ZINC000515166616 448267882 /nfs/dbraw/zinc/26/78/82/448267882.db2.gz XEDKGNZMFCFTMM-SJLPKXTDSA-N 1 2 333.432 1.863 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000563954607 448319202 /nfs/dbraw/zinc/31/92/02/448319202.db2.gz MIILZATXGNXSQG-GJZGRUSLSA-N 1 2 331.420 1.208 20 30 EDEDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2CCC(=O)N(C)CCC#N)c1 ZINC000565227763 448361783 /nfs/dbraw/zinc/36/17/83/448361783.db2.gz AYDPYFGCRXHBCF-QGZVFWFLSA-N 1 2 328.416 1.230 20 30 EDEDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2CCC(=O)N(C)CCC#N)c1 ZINC000565227763 448361787 /nfs/dbraw/zinc/36/17/87/448361787.db2.gz AYDPYFGCRXHBCF-QGZVFWFLSA-N 1 2 328.416 1.230 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)NCc2ccc(C#N)s2)CC1 ZINC000591550730 448386635 /nfs/dbraw/zinc/38/66/35/448386635.db2.gz SNBNAGQIMYSVJP-UHFFFAOYSA-N 1 2 344.444 1.381 20 30 EDEDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000566017775 448387606 /nfs/dbraw/zinc/38/76/06/448387606.db2.gz KUZKHHFDOLOEQV-HNNXBMFYSA-N 1 2 340.427 1.018 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000583205980 448427012 /nfs/dbraw/zinc/42/70/12/448427012.db2.gz BEFHGUGWKLEOEF-MRXNPFEDSA-N 1 2 333.342 1.724 20 30 EDEDLO Cc1[nH+]c2cc(NS(=O)(=O)c3cncc(C#N)c3)ccc2n1C ZINC000578105306 448461223 /nfs/dbraw/zinc/46/12/23/448461223.db2.gz UIUNHHNAHCZMQU-UHFFFAOYSA-N 1 2 327.369 1.949 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)c1 ZINC000535069972 448482578 /nfs/dbraw/zinc/48/25/78/448482578.db2.gz QPPHEDDGDGCGOC-UHFFFAOYSA-N 1 2 349.442 1.666 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000591899825 448555944 /nfs/dbraw/zinc/55/59/44/448555944.db2.gz FQMUUYWONGZGAZ-QAPCUYQASA-N 1 2 339.399 1.570 20 30 EDEDLO CSc1nnc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)s1 ZINC000567105125 448615311 /nfs/dbraw/zinc/61/53/11/448615311.db2.gz SWLFHKFOZCUVNE-NSHDSACASA-N 1 2 336.442 1.661 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000567022465 448599811 /nfs/dbraw/zinc/59/98/11/448599811.db2.gz PSQUMHVEBYSQGV-IRXDYDNUSA-N 1 2 332.448 1.436 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000592146379 448705145 /nfs/dbraw/zinc/70/51/45/448705145.db2.gz HIFHBUNQRWXHJT-FQEVSTJZSA-N 1 2 341.455 1.965 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000592146379 448705148 /nfs/dbraw/zinc/70/51/48/448705148.db2.gz HIFHBUNQRWXHJT-FQEVSTJZSA-N 1 2 341.455 1.965 20 30 EDEDLO CC(C)[C@@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592147525 448707340 /nfs/dbraw/zinc/70/73/40/448707340.db2.gz PQKLUXPTAHPGJA-MSOLQXFVSA-N 1 2 333.407 1.989 20 30 EDEDLO CC(C)[C@@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc(F)cc1 ZINC000592147525 448707343 /nfs/dbraw/zinc/70/73/43/448707343.db2.gz PQKLUXPTAHPGJA-MSOLQXFVSA-N 1 2 333.407 1.989 20 30 EDEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149203 448709923 /nfs/dbraw/zinc/70/99/23/448709923.db2.gz KPLDDZQPTCRBAE-BZNIZROVSA-N 1 2 348.359 1.281 20 30 EDEDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149203 448709928 /nfs/dbraw/zinc/70/99/28/448709928.db2.gz KPLDDZQPTCRBAE-BZNIZROVSA-N 1 2 348.359 1.281 20 30 EDEDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)cccc1[N+](=O)[O-] ZINC000592149620 448710021 /nfs/dbraw/zinc/71/00/21/448710021.db2.gz SGNHXWBOHKVHEU-LRDDRELGSA-N 1 2 332.360 1.581 20 30 EDEDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)cccc1[N+](=O)[O-] ZINC000592149620 448710025 /nfs/dbraw/zinc/71/00/25/448710025.db2.gz SGNHXWBOHKVHEU-LRDDRELGSA-N 1 2 332.360 1.581 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000592149581 448710222 /nfs/dbraw/zinc/71/02/22/448710222.db2.gz RMGPQEDYSVRMQQ-QGZVFWFLSA-N 1 2 330.388 1.302 20 30 EDEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000592149581 448710229 /nfs/dbraw/zinc/71/02/29/448710229.db2.gz RMGPQEDYSVRMQQ-QGZVFWFLSA-N 1 2 330.388 1.302 20 30 EDEDLO Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3CC[C@@](O)(CC#N)C3)C2=O)c1 ZINC000592151119 448712052 /nfs/dbraw/zinc/71/20/52/448712052.db2.gz MDPGYYVZBSQJJC-QAPCUYQASA-N 1 2 331.391 1.980 20 30 EDEDLO Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3CC[C@@](O)(CC#N)C3)C2=O)c1 ZINC000592151119 448712055 /nfs/dbraw/zinc/71/20/55/448712055.db2.gz MDPGYYVZBSQJJC-QAPCUYQASA-N 1 2 331.391 1.980 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000585800779 448783210 /nfs/dbraw/zinc/78/32/10/448783210.db2.gz LFBSTQIGVRWFBG-KURKYZTESA-N 1 2 343.427 1.749 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000585800779 448783215 /nfs/dbraw/zinc/78/32/15/448783215.db2.gz LFBSTQIGVRWFBG-KURKYZTESA-N 1 2 343.427 1.749 20 30 EDEDLO N#CCCCCCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000588153497 448879259 /nfs/dbraw/zinc/87/92/59/448879259.db2.gz ZYYCYTZZJWHZHA-MRXNPFEDSA-N 1 2 325.478 1.785 20 30 EDEDLO N#Cc1cnc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)cn1 ZINC000548116665 448987027 /nfs/dbraw/zinc/98/70/27/448987027.db2.gz FFLLZQQJAVXAPZ-UHFFFAOYSA-N 1 2 342.447 1.485 20 30 EDEDLO N#CCC1(CS(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000580278305 448943581 /nfs/dbraw/zinc/94/35/81/448943581.db2.gz NQLAHDWHUZPAHJ-HUUCEWRRSA-N 1 2 341.477 1.243 20 30 EDEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@](O)(CC#N)C3)cn2c1 ZINC000592841014 449013287 /nfs/dbraw/zinc/01/32/87/449013287.db2.gz WTKNGTHKOGPMQJ-QGZVFWFLSA-N 1 2 344.440 1.753 20 30 EDEDLO N#CC1(CS(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)CCCCC1 ZINC000548122789 448988313 /nfs/dbraw/zinc/98/83/13/448988313.db2.gz BUOWORCQJGVJHJ-UHFFFAOYSA-N 1 2 334.401 1.644 20 30 EDEDLO Cc1cccn2cc(CCNS(=O)(=O)CC3(C#N)CCC3)[nH+]c12 ZINC000589222936 448991620 /nfs/dbraw/zinc/99/16/20/448991620.db2.gz NZZWXQYXVRWILH-UHFFFAOYSA-N 1 2 332.429 1.799 20 30 EDEDLO Cn1nncc1C[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595730612 449135566 /nfs/dbraw/zinc/13/55/66/449135566.db2.gz CXMBGKQLNNLZRB-UHFFFAOYSA-N 1 2 348.414 1.399 20 30 EDEDLO N#Cc1ccncc1N1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000590013104 449097806 /nfs/dbraw/zinc/09/78/06/449097806.db2.gz GHBBEXVZPVNQJJ-MRXNPFEDSA-N 1 2 336.395 1.915 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCc4[nH]c[nH+]c4C3)C2)c(F)c1 ZINC000599952372 449123980 /nfs/dbraw/zinc/12/39/80/449123980.db2.gz MBCZSNOGLKWOAJ-CYBMUJFWSA-N 1 2 339.374 1.832 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N3CCc4[nH+]c[nH]c4C3)C2)c(F)c1 ZINC000599952372 449123983 /nfs/dbraw/zinc/12/39/83/449123983.db2.gz MBCZSNOGLKWOAJ-CYBMUJFWSA-N 1 2 339.374 1.832 20 30 EDEDLO Cc1nc(COc2cccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c2)no1 ZINC000593154885 449154121 /nfs/dbraw/zinc/15/41/21/449154121.db2.gz PCBOSQQKOSGZFX-QGZVFWFLSA-N 1 2 343.387 1.531 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COCc1nc2ccccc2s1 ZINC000593155654 449154668 /nfs/dbraw/zinc/15/46/68/449154668.db2.gz OEBSKEZGOWGTRN-MRXNPFEDSA-N 1 2 332.429 1.773 20 30 EDEDLO C[C@H](c1ccccc1)N1C[C@H](C(=O)N[C@](C)(C#N)C[NH+](C)C)CC1=O ZINC000593155557 449154692 /nfs/dbraw/zinc/15/46/92/449154692.db2.gz BWFNVPAHXGJJDQ-IDHHARJASA-N 1 2 342.443 1.556 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@H]1COCCO1 ZINC000595735944 449138746 /nfs/dbraw/zinc/13/87/46/449138746.db2.gz JLAUTMORVZGMPD-RYUDHWBXSA-N 1 2 349.456 1.783 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@H]1COCCO1 ZINC000595735944 449138748 /nfs/dbraw/zinc/13/87/48/449138748.db2.gz JLAUTMORVZGMPD-RYUDHWBXSA-N 1 2 349.456 1.783 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1C#N ZINC000597924584 449144026 /nfs/dbraw/zinc/14/40/26/449144026.db2.gz IZIXAGRRJNRXFM-NSHDSACASA-N 1 2 334.445 1.983 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1C#N ZINC000597924584 449144032 /nfs/dbraw/zinc/14/40/32/449144032.db2.gz IZIXAGRRJNRXFM-NSHDSACASA-N 1 2 334.445 1.983 20 30 EDEDLO C[C@]1(C#N)CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000595840467 449200574 /nfs/dbraw/zinc/20/05/74/449200574.db2.gz OFJGHHSLTAHCNT-QGZVFWFLSA-N 1 2 332.473 1.628 20 30 EDEDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCN(CCC#N)CC1 ZINC000611176168 449201996 /nfs/dbraw/zinc/20/19/96/449201996.db2.gz VDSYKTWTCFTAHL-INIZCTEOSA-N 1 2 326.444 1.491 20 30 EDEDLO C[C@H]1C[N@H+](CCNc2ncc(Br)cc2C#N)CCO1 ZINC000590688525 449247470 /nfs/dbraw/zinc/24/74/70/449247470.db2.gz KFOJNQZVGSUQBG-JTQLQIEISA-N 1 2 325.210 1.848 20 30 EDEDLO C[C@H]1C[N@@H+](CCNc2ncc(Br)cc2C#N)CCO1 ZINC000590688525 449247476 /nfs/dbraw/zinc/24/74/76/449247476.db2.gz KFOJNQZVGSUQBG-JTQLQIEISA-N 1 2 325.210 1.848 20 30 EDEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N([C@@H](C)C#N)C1CC1)CC2 ZINC000598132515 449253149 /nfs/dbraw/zinc/25/31/49/449253149.db2.gz SZMVLEMTRKOBPV-ZDUSSCGKSA-N 1 2 343.427 1.965 20 30 EDEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N([C@@H](C)C#N)C1CC1)CC2 ZINC000598132515 449253155 /nfs/dbraw/zinc/25/31/55/449253155.db2.gz SZMVLEMTRKOBPV-ZDUSSCGKSA-N 1 2 343.427 1.965 20 30 EDEDLO CCC(=O)N[C@H]1CCCN(c2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000604559686 449257296 /nfs/dbraw/zinc/25/72/96/449257296.db2.gz KKUFOQXGYIHISU-LBPRGKRZSA-N 1 2 327.392 1.235 20 30 EDEDLO COC(=O)CC(C)(C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000611219515 449222372 /nfs/dbraw/zinc/22/23/72/449222372.db2.gz SVURDSOZRMNYET-UHFFFAOYSA-N 1 2 339.436 1.040 20 30 EDEDLO N#CCc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000590782432 449292080 /nfs/dbraw/zinc/29/20/80/449292080.db2.gz QNYOKNJXEBBOMK-MRXNPFEDSA-N 1 2 337.383 1.751 20 30 EDEDLO CCc1c[nH]c(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)[nH+]1 ZINC000602043821 449296128 /nfs/dbraw/zinc/29/61/28/449296128.db2.gz VOHHHWIJYJZARB-QGZVFWFLSA-N 1 2 337.427 1.924 20 30 EDEDLO N#Cc1sccc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000593524600 449324171 /nfs/dbraw/zinc/32/41/71/449324171.db2.gz PFGUYMHIGHBFDT-UHFFFAOYSA-N 1 2 334.426 1.526 20 30 EDEDLO N#CC1(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000593425565 449277609 /nfs/dbraw/zinc/27/76/09/449277609.db2.gz MMYVRZAZEPXZEY-UHFFFAOYSA-N 1 2 327.432 1.993 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc2cc[nH]c2cn1 ZINC000594145388 449368502 /nfs/dbraw/zinc/36/85/02/449368502.db2.gz UYOIAHKUFSKYQW-UHFFFAOYSA-N 1 2 342.403 1.643 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598421019 449386823 /nfs/dbraw/zinc/38/68/23/449386823.db2.gz SJBGGYKWSXPJNF-YOEHRIQHSA-N 1 2 331.420 1.245 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598421019 449386826 /nfs/dbraw/zinc/38/68/26/449386826.db2.gz SJBGGYKWSXPJNF-YOEHRIQHSA-N 1 2 331.420 1.245 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594221153 449395869 /nfs/dbraw/zinc/39/58/69/449395869.db2.gz LZMJKNJIXXSFJP-AWEZNQCLSA-N 1 2 327.432 1.219 20 30 EDEDLO C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594312095 449444674 /nfs/dbraw/zinc/44/46/74/449444674.db2.gz KVYAHWTVPJRWKZ-MCIONIFRSA-N 1 2 344.415 1.111 20 30 EDEDLO C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594312095 449444683 /nfs/dbraw/zinc/44/46/83/449444683.db2.gz KVYAHWTVPJRWKZ-MCIONIFRSA-N 1 2 344.415 1.111 20 30 EDEDLO CCOC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCN(CC#N)CC1 ZINC000600591230 449453027 /nfs/dbraw/zinc/45/30/27/449453027.db2.gz MUFMCFPLBGJSKJ-QGZVFWFLSA-N 1 2 333.407 1.877 20 30 EDEDLO N#Cc1ccc([C@@H]([NH2+]C[C@H](n2cccn2)C(F)(F)F)C(N)=O)cc1 ZINC000600603860 449456801 /nfs/dbraw/zinc/45/68/01/449456801.db2.gz VGIAUVCVVLTZMA-QWHCGFSZSA-N 1 2 337.305 1.674 20 30 EDEDLO C[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(Cl)cc1C#N ZINC000614168958 449489523 /nfs/dbraw/zinc/48/95/23/449489523.db2.gz LLBRAHUMYNXHQQ-UHFFFAOYSA-N 1 2 327.837 1.679 20 30 EDEDLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1ccc(Cl)cc1C#N ZINC000614168958 449489530 /nfs/dbraw/zinc/48/95/30/449489530.db2.gz LLBRAHUMYNXHQQ-UHFFFAOYSA-N 1 2 327.837 1.679 20 30 EDEDLO C[C@H](CNS(=O)(=O)CC(C)(C)CC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594472177 449538414 /nfs/dbraw/zinc/53/84/14/449538414.db2.gz ZYKVXFUDSQHHIG-MCIONIFRSA-N 1 2 331.482 1.343 20 30 EDEDLO C[C@H](CNS(=O)(=O)CC(C)(C)CC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594472177 449538419 /nfs/dbraw/zinc/53/84/19/449538419.db2.gz ZYKVXFUDSQHHIG-MCIONIFRSA-N 1 2 331.482 1.343 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccc(C#N)c(F)c1 ZINC000596618295 449574873 /nfs/dbraw/zinc/57/48/73/449574873.db2.gz KBSYXMVNWMJRSP-OLZOCXBDSA-N 1 2 334.395 1.606 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1ccc(C#N)c(F)c1 ZINC000596618295 449574876 /nfs/dbraw/zinc/57/48/76/449574876.db2.gz KBSYXMVNWMJRSP-OLZOCXBDSA-N 1 2 334.395 1.606 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612167743 449595679 /nfs/dbraw/zinc/59/56/79/449595679.db2.gz WGHSEBBRSFHNPM-KSSFIOAISA-N 1 2 335.448 1.802 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612167743 449595694 /nfs/dbraw/zinc/59/56/94/449595694.db2.gz WGHSEBBRSFHNPM-KSSFIOAISA-N 1 2 335.448 1.802 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(C#N)cc3)nn2)C1 ZINC000600970967 449624263 /nfs/dbraw/zinc/62/42/63/449624263.db2.gz RRPIUNNEHFPPLF-CQSZACIVSA-N 1 2 325.372 1.524 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(C#N)cc3)nn2)C1 ZINC000600970967 449624267 /nfs/dbraw/zinc/62/42/67/449624267.db2.gz RRPIUNNEHFPPLF-CQSZACIVSA-N 1 2 325.372 1.524 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1[nH]ncc1C(F)(F)F ZINC000601024072 449659230 /nfs/dbraw/zinc/65/92/30/449659230.db2.gz QBPLCMIJFVEPSJ-UHFFFAOYSA-N 1 2 345.325 1.117 20 30 EDEDLO COc1cncc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1C ZINC000601023409 449659842 /nfs/dbraw/zinc/65/98/42/449659842.db2.gz HCZDQFXHXHXKCK-UHFFFAOYSA-N 1 2 332.404 1.087 20 30 EDEDLO C[C@@]1(C#N)CCCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000612366127 449663686 /nfs/dbraw/zinc/66/36/86/449663686.db2.gz DOKQHFJGZVGCLT-SFHVURJKSA-N 1 2 327.432 1.356 20 30 EDEDLO CN(C)C(=O)C[NH+]1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601100571 449689480 /nfs/dbraw/zinc/68/94/80/449689480.db2.gz NQHSQEALTCFAKC-UHFFFAOYSA-N 1 2 329.429 1.378 20 30 EDEDLO Cc1cnn(C)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596974728 449743765 /nfs/dbraw/zinc/74/37/65/449743765.db2.gz WPZYKEXTCVREKA-UHFFFAOYSA-N 1 2 338.415 1.950 20 30 EDEDLO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC2 ZINC000599248037 449830124 /nfs/dbraw/zinc/83/01/24/449830124.db2.gz KMDJAAZLIREGJJ-HZPDHXFCSA-N 1 2 329.448 1.446 20 30 EDEDLO N#CC1(CNS(=O)(=O)CCC[NH+]2CCOCC2)CCCCC1 ZINC000594884927 449794820 /nfs/dbraw/zinc/79/48/20/449794820.db2.gz ZNMSDXUFNDNVDQ-UHFFFAOYSA-N 1 2 329.466 1.102 20 30 EDEDLO CCCN(CC(F)(F)F)C(=O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602847817 449854230 /nfs/dbraw/zinc/85/42/30/449854230.db2.gz DLIVDZMHEFUOJC-CHWSQXEVSA-N 1 2 334.386 1.705 20 30 EDEDLO Cc1ccnc(-c2noc(C[N@@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)n2)c1 ZINC000602850512 449857905 /nfs/dbraw/zinc/85/79/05/449857905.db2.gz QDVPFBFODOCQEI-OKILXGFUSA-N 1 2 326.404 1.858 20 30 EDEDLO Cc1ccnc(-c2noc(C[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)n2)c1 ZINC000602850512 449857907 /nfs/dbraw/zinc/85/79/07/449857907.db2.gz QDVPFBFODOCQEI-OKILXGFUSA-N 1 2 326.404 1.858 20 30 EDEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854891 449863284 /nfs/dbraw/zinc/86/32/84/449863284.db2.gz DMWNWJQBZVKJTI-SOUVJXGZSA-N 1 2 332.423 1.749 20 30 EDEDLO N#Cc1cccc(NC(=O)C(=O)NCc2ccc[nH+]c2N2CCCC2)c1 ZINC000595092978 449866551 /nfs/dbraw/zinc/86/65/51/449866551.db2.gz CGAULCBAHNQQBV-UHFFFAOYSA-N 1 2 349.394 1.808 20 30 EDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000602869924 449879288 /nfs/dbraw/zinc/87/92/88/449879288.db2.gz QPXTVMXAROCUHL-KGLIPLIRSA-N 1 2 331.445 1.349 20 30 EDEDLO Cc1ccccc1C(=O)NC1CCN(C(=O)C[NH2+][C@@H](C)CC#N)CC1 ZINC000602871236 449879615 /nfs/dbraw/zinc/87/96/15/449879615.db2.gz ZVLBLOWRCJUTFC-HNNXBMFYSA-N 1 2 342.443 1.608 20 30 EDEDLO N#CCc1cccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000601424227 449943274 /nfs/dbraw/zinc/94/32/74/449943274.db2.gz BWXTUEYCVGAFRJ-MRXNPFEDSA-N 1 2 349.456 1.238 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000595220148 449955742 /nfs/dbraw/zinc/95/57/42/449955742.db2.gz UGKLPRJCMFNSFH-NSHDSACASA-N 1 2 341.371 1.506 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000608909043 449949245 /nfs/dbraw/zinc/94/92/45/449949245.db2.gz NBRNXHKSVGKEJW-UHFFFAOYSA-N 1 2 325.353 1.940 20 30 EDEDLO C[N@H+](CC(=O)NCCOc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H]1C#N ZINC000602978723 449977980 /nfs/dbraw/zinc/97/79/80/449977980.db2.gz VUAZWANYYKFBAK-UKRRQHHQSA-N 1 2 345.399 1.534 20 30 EDEDLO C[N@@H+](CC(=O)NCCOc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H]1C#N ZINC000602978723 449977986 /nfs/dbraw/zinc/97/79/86/449977986.db2.gz VUAZWANYYKFBAK-UKRRQHHQSA-N 1 2 345.399 1.534 20 30 EDEDLO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000599568751 450072584 /nfs/dbraw/zinc/07/25/84/450072584.db2.gz IHLPCQKFXZFUML-APPDUMDISA-N 1 2 349.387 1.359 20 30 EDEDLO COC(=O)[C@@]1(OC)CC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000599568751 450072588 /nfs/dbraw/zinc/07/25/88/450072588.db2.gz IHLPCQKFXZFUML-APPDUMDISA-N 1 2 349.387 1.359 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000609538317 450046050 /nfs/dbraw/zinc/04/60/50/450046050.db2.gz QFJQMBMTSIDJJW-CRAIPNDOSA-N 1 2 332.492 1.942 20 30 EDEDLO CN1CC(=O)N(CC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1=O ZINC000595335603 450050200 /nfs/dbraw/zinc/05/02/00/450050200.db2.gz UKZGNDDLFZCIJW-CVEARBPZSA-N 1 2 326.400 1.652 20 30 EDEDLO CN1CC(=O)N(CC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1=O ZINC000595335603 450050204 /nfs/dbraw/zinc/05/02/04/450050204.db2.gz UKZGNDDLFZCIJW-CVEARBPZSA-N 1 2 326.400 1.652 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000609631492 450077194 /nfs/dbraw/zinc/07/71/94/450077194.db2.gz NADHUIQQXHFVFF-DOTOQJQBSA-N 1 2 348.516 1.961 20 30 EDEDLO N#Cc1ccc(N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)c(F)c1 ZINC000610130416 450145045 /nfs/dbraw/zinc/14/50/45/450145045.db2.gz UPDRGHZDTGHCAB-UHFFFAOYSA-N 1 2 349.373 2.000 20 30 EDEDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000599691808 450156328 /nfs/dbraw/zinc/15/63/28/450156328.db2.gz SQXFWAFDHDVLMR-INIZCTEOSA-N 1 2 349.456 1.323 20 30 EDEDLO CC(=O)NC[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000599691808 450156332 /nfs/dbraw/zinc/15/63/32/450156332.db2.gz SQXFWAFDHDVLMR-INIZCTEOSA-N 1 2 349.456 1.323 20 30 EDEDLO C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C#N)cc1 ZINC000595462514 450158668 /nfs/dbraw/zinc/15/86/68/450158668.db2.gz VYFVKYDQQMLKHY-WMLDXEAASA-N 1 2 328.416 1.735 20 30 EDEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000595469189 450164663 /nfs/dbraw/zinc/16/46/63/450164663.db2.gz NVJMYTDRKARWHR-MRXNPFEDSA-N 1 2 330.823 1.883 20 30 EDEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000595469189 450164670 /nfs/dbraw/zinc/16/46/70/450164670.db2.gz NVJMYTDRKARWHR-MRXNPFEDSA-N 1 2 330.823 1.883 20 30 EDEDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CC(=O)NC2(C#N)CCCCC2)n1 ZINC000595517836 450200926 /nfs/dbraw/zinc/20/09/26/450200926.db2.gz FMZZMABGHBAZJC-UHFFFAOYSA-N 1 2 331.420 1.658 20 30 EDEDLO COCc1cc(C#N)ccc1NCC(C)(C)[NH+]1CCS(=O)CC1 ZINC000603302964 450228149 /nfs/dbraw/zinc/22/81/49/450228149.db2.gz HIAOTFHUNSNTGO-UHFFFAOYSA-N 1 2 335.473 1.959 20 30 EDEDLO C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CCSC[C@@H]2C#N)C1 ZINC000603304459 450228832 /nfs/dbraw/zinc/22/88/32/450228832.db2.gz UAFUCDKEJODTMY-ZDUSSCGKSA-N 1 2 337.470 1.304 20 30 EDEDLO C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CCSC[C@@H]2C#N)C1 ZINC000603304459 450228838 /nfs/dbraw/zinc/22/88/38/450228838.db2.gz UAFUCDKEJODTMY-ZDUSSCGKSA-N 1 2 337.470 1.304 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3nn(C)c4ccccc43)CC2)c1C#N ZINC000615968222 450286103 /nfs/dbraw/zinc/28/61/03/450286103.db2.gz YICWTSDRORCGDT-UHFFFAOYSA-N 1 2 349.442 1.809 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618798358 450304645 /nfs/dbraw/zinc/30/46/45/450304645.db2.gz VWCCZHXGAQKZPC-DYVFJYSZSA-N 1 2 328.416 1.565 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618810672 450307754 /nfs/dbraw/zinc/30/77/54/450307754.db2.gz CKTXMZMYSVAMQP-DYVFJYSZSA-N 1 2 328.416 1.565 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618810672 450307758 /nfs/dbraw/zinc/30/77/58/450307758.db2.gz CKTXMZMYSVAMQP-DYVFJYSZSA-N 1 2 328.416 1.565 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)N[C@H]2CCc3cc(C#N)ccc32)CCO1 ZINC000618810530 450307842 /nfs/dbraw/zinc/30/78/42/450307842.db2.gz IPLUDEKWBNTFBN-KRWDZBQOSA-N 1 2 342.443 1.956 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CCc3cc(C#N)ccc32)CCO1 ZINC000618810530 450307847 /nfs/dbraw/zinc/30/78/47/450307847.db2.gz IPLUDEKWBNTFBN-KRWDZBQOSA-N 1 2 342.443 1.956 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000619711360 450315209 /nfs/dbraw/zinc/31/52/09/450315209.db2.gz SWAYZVKXQCJASZ-UHFFFAOYSA-N 1 2 335.433 1.255 20 30 EDEDLO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610740854 450317554 /nfs/dbraw/zinc/31/75/54/450317554.db2.gz FSYQCDJAAOMZIL-GOEBONIOSA-N 1 2 334.416 1.764 20 30 EDEDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610740854 450317559 /nfs/dbraw/zinc/31/75/59/450317559.db2.gz FSYQCDJAAOMZIL-GOEBONIOSA-N 1 2 334.416 1.764 20 30 EDEDLO C=CCCOCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000620237141 450456492 /nfs/dbraw/zinc/45/64/92/450456492.db2.gz YWBIRLJTXQFQQH-UHFFFAOYSA-N 1 2 331.416 1.605 20 30 EDEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625700736 450481890 /nfs/dbraw/zinc/48/18/90/450481890.db2.gz LVRVWTCWLRRYKC-CVEARBPZSA-N 1 2 342.505 1.556 20 30 EDEDLO C=CC[C@@H]1CC[N@H+](CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625700736 450481891 /nfs/dbraw/zinc/48/18/91/450481891.db2.gz LVRVWTCWLRRYKC-CVEARBPZSA-N 1 2 342.505 1.556 20 30 EDEDLO N#CCc1cccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000619481941 450485746 /nfs/dbraw/zinc/48/57/46/450485746.db2.gz XWUFITAQKQNMBG-OAHLLOKOSA-N 1 2 330.413 1.975 20 30 EDEDLO C=CCCn1cc(C[NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)nn1 ZINC000623779554 450582179 /nfs/dbraw/zinc/58/21/79/450582179.db2.gz FNYWFLPZGABPSS-UHFFFAOYSA-N 1 2 343.387 1.354 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)nn1 ZINC000633898290 451081541 /nfs/dbraw/zinc/08/15/41/451081541.db2.gz BJMRZOAYQNPJEU-UHFFFAOYSA-N 1 2 341.415 1.518 20 30 EDEDLO C=CCOc1cccc(NS(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)c1 ZINC000632183191 451097212 /nfs/dbraw/zinc/09/72/12/451097212.db2.gz KCTNFBMAEMAOCX-OAHLLOKOSA-N 1 2 326.418 1.324 20 30 EDEDLO C=CCCS(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680481 451518955 /nfs/dbraw/zinc/51/89/55/451518955.db2.gz NSIGIBWGYHBYGI-UHFFFAOYSA-N 1 2 327.475 1.630 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)Cc2ccccc2OC)nn1 ZINC000640853077 451638971 /nfs/dbraw/zinc/63/89/71/451638971.db2.gz VEYFLBUMRNCWAI-UHFFFAOYSA-N 1 2 341.415 1.058 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](c2ccccc2)C(C)C)nn1 ZINC000640894457 451678850 /nfs/dbraw/zinc/67/88/50/451678850.db2.gz FPKITAAZRDRGGP-IBGZPJMESA-N 1 2 339.443 1.905 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NCc2ccccc2C)nn1 ZINC000640917920 451689969 /nfs/dbraw/zinc/68/99/69/451689969.db2.gz PVNZCICJLDBWFU-OAHLLOKOSA-N 1 2 325.416 1.577 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(OC)cc2)nn1 ZINC000640882166 451670788 /nfs/dbraw/zinc/67/07/88/451670788.db2.gz QCNQUUZNTZOIFB-CYBMUJFWSA-N 1 2 327.388 1.599 20 30 EDEDLO C=C(C)Cn1c([C@@H]2CCO[C@@H]2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000647403107 452204523 /nfs/dbraw/zinc/20/45/23/452204523.db2.gz CVNHOLNTQZLUDV-HZPDHXFCSA-N 1 2 349.479 1.515 20 30 EDEDLO C=C(C)CCNC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000655508293 452311229 /nfs/dbraw/zinc/31/12/29/452311229.db2.gz LZNGCXVBZURJKK-INIZCTEOSA-N 1 2 341.415 1.791 20 30 EDEDLO C=CCn1cc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)nn1 ZINC000648327690 453008515 /nfs/dbraw/zinc/00/85/15/453008515.db2.gz IFVLLJRHGBDHGR-UHFFFAOYSA-N 1 2 329.379 1.561 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343426 453106854 /nfs/dbraw/zinc/10/68/54/453106854.db2.gz NRXLWTGSGQRFBG-HRCADAONSA-N 1 2 339.480 1.463 20 30 EDEDLO C=CCCCCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656343426 453106864 /nfs/dbraw/zinc/10/68/64/453106864.db2.gz NRXLWTGSGQRFBG-HRCADAONSA-N 1 2 339.480 1.463 20 30 EDEDLO C=C[C@@H](O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000646628954 453524854 /nfs/dbraw/zinc/52/48/54/453524854.db2.gz TWWNSEYXQOIXKS-HUUCEWRRSA-N 1 2 331.372 1.190 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000672781922 486799072 /nfs/dbraw/zinc/79/90/72/486799072.db2.gz GMHGGNKDBMQCQR-JKSUJKDBSA-N 1 2 337.464 1.171 20 30 EDEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 ZINC000677133308 486982601 /nfs/dbraw/zinc/98/26/01/486982601.db2.gz RALXGBWKFJNLHK-SFHVURJKSA-N 1 2 332.444 1.763 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000684793043 487162184 /nfs/dbraw/zinc/16/21/84/487162184.db2.gz RPFRARUKPTYJFU-JONQDZQNSA-N 1 2 325.453 1.376 20 30 EDEDLO C=CCNC(=O)CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000679030380 487387771 /nfs/dbraw/zinc/38/77/71/487387771.db2.gz RRQPTNIAHFAAQA-OAHLLOKOSA-N 1 2 341.415 1.305 20 30 EDEDLO C=CC[N@@H+](Cc1cc(OCC)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000092361583 526331596 /nfs/dbraw/zinc/33/15/96/526331596.db2.gz KTUYWHBUAYARQS-AWEZNQCLSA-N 1 2 325.430 1.966 20 30 EDEDLO C=CC[N@H+](Cc1cc(OCC)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000092361583 526331603 /nfs/dbraw/zinc/33/16/03/526331603.db2.gz KTUYWHBUAYARQS-AWEZNQCLSA-N 1 2 325.430 1.966 20 30 EDEDLO C=CC[N@@H+](Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361598 526340488 /nfs/dbraw/zinc/34/04/88/526340488.db2.gz LLHDXFFGBZHFGT-MRXNPFEDSA-N 1 2 339.457 1.887 20 30 EDEDLO C=CC[N@H+](Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361598 526340492 /nfs/dbraw/zinc/34/04/92/526340492.db2.gz LLHDXFFGBZHFGT-MRXNPFEDSA-N 1 2 339.457 1.887 20 30 EDEDLO C=C(C)COCCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000134997873 526633455 /nfs/dbraw/zinc/63/34/55/526633455.db2.gz WDLNYVINEPQZJY-UHFFFAOYSA-N 1 2 338.477 1.953 20 30 EDEDLO C=C(C)COCCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000134997873 526633459 /nfs/dbraw/zinc/63/34/59/526633459.db2.gz WDLNYVINEPQZJY-UHFFFAOYSA-N 1 2 338.477 1.953 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000101567173 527018344 /nfs/dbraw/zinc/01/83/44/527018344.db2.gz YFJCTFGTJMOVKY-OAHLLOKOSA-N 1 2 329.400 1.331 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000101567173 527018345 /nfs/dbraw/zinc/01/83/45/527018345.db2.gz YFJCTFGTJMOVKY-OAHLLOKOSA-N 1 2 329.400 1.331 20 30 EDEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000132329161 527326079 /nfs/dbraw/zinc/32/60/79/527326079.db2.gz DQMDVFUHILKCNF-UHFFFAOYSA-N 1 2 325.390 1.477 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111252782 528353653 /nfs/dbraw/zinc/35/36/53/528353653.db2.gz SOFFQQAIHOJMEQ-QGZVFWFLSA-N 1 2 342.443 1.876 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000111252782 528353661 /nfs/dbraw/zinc/35/36/61/528353661.db2.gz SOFFQQAIHOJMEQ-QGZVFWFLSA-N 1 2 342.443 1.876 20 30 EDEDLO Cn1cc(/C=C/C(=O)c2ccc(O)c(C[NH+]3CCOCC3)c2)nn1 ZINC000741471223 579418994 /nfs/dbraw/zinc/41/89/94/579418994.db2.gz KCJQHZCFGBGNKI-HWKANZROSA-N 1 2 328.372 1.249 20 30 EDEDLO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@@H+]2CCCOCC2)C1=O ZINC000725771590 578280907 /nfs/dbraw/zinc/28/09/07/578280907.db2.gz HUEJTDMBUVYSJH-QGZVFWFLSA-N 1 2 328.372 1.005 20 30 EDEDLO C[C@]1(c2cccc(C#N)c2)NC(=O)N(C[N@H+]2CCCOCC2)C1=O ZINC000725771590 578280908 /nfs/dbraw/zinc/28/09/08/578280908.db2.gz HUEJTDMBUVYSJH-QGZVFWFLSA-N 1 2 328.372 1.005 20 30 EDEDLO Cc1[nH+]c2n(c1C)CCN(Cc1nc3ccccc3c(=O)n1CC#N)C2 ZINC000728926947 578554467 /nfs/dbraw/zinc/55/44/67/578554467.db2.gz VATKTBBOFKCRTF-UHFFFAOYSA-N 1 2 348.410 1.749 20 30 EDEDLO CCN(CC)c1ccc(C=[NH+]Nc2nc3[nH][nH]cc-3c(=O)n2)c(O)c1 ZINC000731157074 578669518 /nfs/dbraw/zinc/66/95/18/578669518.db2.gz FETGJZOVFZWSQN-UHFFFAOYSA-N 1 2 341.375 1.430 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1ccc(F)cc1C ZINC000731314502 578673743 /nfs/dbraw/zinc/67/37/43/578673743.db2.gz FRHXZORAYOTYNX-UHFFFAOYSA-N 1 2 338.452 1.654 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 ZINC000732067773 578689071 /nfs/dbraw/zinc/68/90/71/578689071.db2.gz GPMJUHYUEDBKGQ-AWEZNQCLSA-N 1 2 340.387 1.015 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 ZINC000732067773 578689073 /nfs/dbraw/zinc/68/90/73/578689073.db2.gz GPMJUHYUEDBKGQ-AWEZNQCLSA-N 1 2 340.387 1.015 20 30 EDEDLO N#C[C@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCN1C1CC1 ZINC000732676280 578723904 /nfs/dbraw/zinc/72/39/04/578723904.db2.gz HGIABOMPRKINEZ-INIZCTEOSA-N 1 2 342.447 1.144 20 30 EDEDLO C=C(COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C(=O)OCC ZINC000734032743 578794862 /nfs/dbraw/zinc/79/48/62/578794862.db2.gz MPOFCGLCLXAXQG-QGZVFWFLSA-N 1 2 347.411 1.847 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000734213698 578801317 /nfs/dbraw/zinc/80/13/17/578801317.db2.gz BXEJUJBZFKKHKF-OAHLLOKOSA-N 1 2 331.416 1.219 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000734213698 578801319 /nfs/dbraw/zinc/80/13/19/578801319.db2.gz BXEJUJBZFKKHKF-OAHLLOKOSA-N 1 2 331.416 1.219 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000739912856 579267075 /nfs/dbraw/zinc/26/70/75/579267075.db2.gz WKOKAOJWHBRNLU-CVEARBPZSA-N 1 2 330.384 1.857 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000739912856 579267077 /nfs/dbraw/zinc/26/70/77/579267077.db2.gz WKOKAOJWHBRNLU-CVEARBPZSA-N 1 2 330.384 1.857 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)CC1 ZINC000744425534 579510455 /nfs/dbraw/zinc/51/04/55/579510455.db2.gz OWKGAFKJILMJBB-QGZVFWFLSA-N 1 2 339.439 1.379 20 30 EDEDLO COc1ccc(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1C#N ZINC000746728227 579608278 /nfs/dbraw/zinc/60/82/78/579608278.db2.gz LZKKELYKQHFMNI-UHFFFAOYSA-N 1 2 346.431 1.477 20 30 EDEDLO COc1ccc(CNC(=O)NCC[N@H+]2CCOCC2(C)C)cc1C#N ZINC000746728227 579608279 /nfs/dbraw/zinc/60/82/79/579608279.db2.gz LZKKELYKQHFMNI-UHFFFAOYSA-N 1 2 346.431 1.477 20 30 EDEDLO CN1CCN(S(=O)(=O)c2cccc(F)c2C#N)c2ccc[nH+]c21 ZINC000751482261 579809599 /nfs/dbraw/zinc/80/95/99/579809599.db2.gz HDNAAJOOOGZXGO-UHFFFAOYSA-N 1 2 332.360 1.737 20 30 EDEDLO C#CCOCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000753233398 579875349 /nfs/dbraw/zinc/87/53/49/579875349.db2.gz XOYVILHFNXFPAX-OAHLLOKOSA-N 1 2 333.407 1.102 20 30 EDEDLO CCOC(=O)[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C1CCOCC1 ZINC000755195312 579922560 /nfs/dbraw/zinc/92/25/60/579922560.db2.gz ZVTRTWGZWHTLMV-IRXDYDNUSA-N 1 2 332.400 1.540 20 30 EDEDLO COc1cccc([C@]2(C)NC(=O)N(N=Cc3[nH+]c[nH]c3C)C2=O)c1 ZINC000755570006 579929794 /nfs/dbraw/zinc/92/97/94/579929794.db2.gz SRINYBSCFINTIB-INIZCTEOSA-N 1 2 327.344 1.528 20 30 EDEDLO N#CC1(CS(=O)(=O)NCc2cccnc2-n2cc[nH+]c2)CCCC1 ZINC000758998339 579996216 /nfs/dbraw/zinc/99/62/16/579996216.db2.gz MOQPZESZTZPPHT-UHFFFAOYSA-N 1 2 345.428 1.771 20 30 EDEDLO N#Cc1cc([N+](=O)[O-])cnc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000764917337 580131100 /nfs/dbraw/zinc/13/11/00/580131100.db2.gz WQBBXGFRQCJZEP-CYBMUJFWSA-N 1 2 328.332 1.535 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2nc(Cl)ccc2Cl)CC1 ZINC000766109128 580159402 /nfs/dbraw/zinc/15/94/02/580159402.db2.gz QJFCWMRPTIGALE-UHFFFAOYSA-N 1 2 343.258 1.808 20 30 EDEDLO N#Cc1cccnc1N1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000770644876 580266678 /nfs/dbraw/zinc/26/66/78/580266678.db2.gz PSAZMTXNYODTFK-UHFFFAOYSA-N 1 2 332.367 1.563 20 30 EDEDLO N#CCSc1ccccc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771561160 580288929 /nfs/dbraw/zinc/28/89/29/580288929.db2.gz OHEFITLJAFMXAC-CQSZACIVSA-N 1 2 331.441 1.849 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc3c(c2)CCO3)CC1 ZINC000772109507 580303460 /nfs/dbraw/zinc/30/34/60/580303460.db2.gz KCHYQBGSAXCOMI-UHFFFAOYSA-N 1 2 327.380 1.693 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCO1 ZINC000773566229 580341712 /nfs/dbraw/zinc/34/17/12/580341712.db2.gz ZGIJLJKUCRHBGT-SJORKVTESA-N 1 2 328.416 1.090 20 30 EDEDLO CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000773968769 580350589 /nfs/dbraw/zinc/35/05/89/580350589.db2.gz HLNHDSSVALXVQM-KBPBESRZSA-N 1 2 341.477 1.064 20 30 EDEDLO CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000773968769 580350590 /nfs/dbraw/zinc/35/05/90/580350590.db2.gz HLNHDSSVALXVQM-KBPBESRZSA-N 1 2 341.477 1.064 20 30 EDEDLO C=CC[C@@H](NC(=O)C(=O)NCc1cn2ccccc2[nH+]1)c1ccncc1 ZINC000775122450 580383329 /nfs/dbraw/zinc/38/33/29/580383329.db2.gz RSPQQVPESGJKQX-MRXNPFEDSA-N 1 2 349.394 1.779 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H]1CCCO1 ZINC000775785550 580400306 /nfs/dbraw/zinc/40/03/06/580400306.db2.gz PQWHEZQNXOGSBT-GXTWGEPZSA-N 1 2 343.383 1.623 20 30 EDEDLO C#CCOc1cccc(Cl)c1CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000779162162 580480464 /nfs/dbraw/zinc/48/04/64/580480464.db2.gz VEDPCQLXGXFAMN-UHFFFAOYSA-N 1 2 349.862 1.734 20 30 EDEDLO C[NH+](C)[C@H](C(=O)OCC(=O)N(CCC#N)CCC#N)c1ccccc1 ZINC000780093041 580512607 /nfs/dbraw/zinc/51/26/07/580512607.db2.gz XTSFMONKIZVUJX-KRWDZBQOSA-N 1 2 342.399 1.488 20 30 EDEDLO C#CCOCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000784205977 580615423 /nfs/dbraw/zinc/61/54/23/580615423.db2.gz RQONCFJVVSZZSA-GJZGRUSLSA-N 1 2 346.431 1.144 20 30 EDEDLO C#CCOCCNC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000784547746 580623536 /nfs/dbraw/zinc/62/35/36/580623536.db2.gz CGFQANMOVKPVBJ-UHFFFAOYSA-N 1 2 331.416 1.613 20 30 EDEDLO C#CCOCCNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000784550116 580623653 /nfs/dbraw/zinc/62/36/53/580623653.db2.gz UQGOITFDWJSCAY-UHFFFAOYSA-N 1 2 335.835 1.817 20 30 EDEDLO C#CCCCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000787182124 580688866 /nfs/dbraw/zinc/68/88/66/580688866.db2.gz OZCAEVWNKKTJKO-UHFFFAOYSA-N 1 2 342.443 1.464 20 30 EDEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2ccc(S(N)(=O)=O)cn2)cn1 ZINC000790153437 580763475 /nfs/dbraw/zinc/76/34/75/580763475.db2.gz GGORVEATUOGXQJ-UHFFFAOYSA-N 1 2 348.432 1.415 20 30 EDEDLO CCN(C)c1ccc(CN=Nc2nccc(N3CCOCC3)n2)c[nH+]1 ZINC000790166473 580763859 /nfs/dbraw/zinc/76/38/59/580763859.db2.gz HNWDMPCHUONHTK-UHFFFAOYSA-N 1 2 341.419 1.610 20 30 EDEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1=S ZINC000794638955 580901273 /nfs/dbraw/zinc/90/12/73/580901273.db2.gz IMUPVJYEKHVZFU-CQSZACIVSA-N 1 2 328.445 1.934 20 30 EDEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1=S ZINC000794638955 580901274 /nfs/dbraw/zinc/90/12/74/580901274.db2.gz IMUPVJYEKHVZFU-CQSZACIVSA-N 1 2 328.445 1.934 20 30 EDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCC(=O)NCCC#N ZINC000796001242 580943185 /nfs/dbraw/zinc/94/31/85/580943185.db2.gz AIUPSONRQUCCAK-UHFFFAOYSA-N 1 2 336.298 1.196 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000798400129 580996217 /nfs/dbraw/zinc/99/62/17/580996217.db2.gz UEKAYOYHOXSIHP-KRWDZBQOSA-N 1 2 345.443 1.738 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@@H](c3ccccc3C)CC2=O)C1=O ZINC000799142074 581018519 /nfs/dbraw/zinc/01/85/19/581018519.db2.gz JUUMYLQFIDOGRO-FUHWJXTLSA-N 1 2 341.455 1.987 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@@H](c3ccccc3C)CC2=O)C1=O ZINC000799142074 581018520 /nfs/dbraw/zinc/01/85/20/581018520.db2.gz JUUMYLQFIDOGRO-FUHWJXTLSA-N 1 2 341.455 1.987 20 30 EDEDLO CC[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCCO1 ZINC000799200932 581022189 /nfs/dbraw/zinc/02/21/89/581022189.db2.gz OUBUUAXQNRSHIT-CQSZACIVSA-N 1 2 326.400 1.921 20 30 EDEDLO CC[C@@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CCCO1 ZINC000799200932 581022190 /nfs/dbraw/zinc/02/21/90/581022190.db2.gz OUBUUAXQNRSHIT-CQSZACIVSA-N 1 2 326.400 1.921 20 30 EDEDLO C[C@@H]1C[N@H+](CCOC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCO1 ZINC000800196311 581047240 /nfs/dbraw/zinc/04/72/40/581047240.db2.gz DOTDGOIQBGSQCT-CXAGYDPISA-N 1 2 340.420 1.512 20 30 EDEDLO C[C@@H]1C[N@@H+](CCOC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCO1 ZINC000800196311 581047241 /nfs/dbraw/zinc/04/72/41/581047241.db2.gz DOTDGOIQBGSQCT-CXAGYDPISA-N 1 2 340.420 1.512 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000801909907 581087647 /nfs/dbraw/zinc/08/76/47/581087647.db2.gz HWWMGVARCOWIPF-ZDUSSCGKSA-N 1 2 331.372 1.102 20 30 EDEDLO CCN(CC)c1ccc(CNC(=O)N2CCO[C@](C)(C#N)C2)c[nH+]1 ZINC000891829024 590641294 /nfs/dbraw/zinc/64/12/94/590641294.db2.gz BQWSSCFWMXGSRR-QGZVFWFLSA-N 1 2 331.420 1.752 20 30 EDEDLO C=C(C)C[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000891410787 591069733 /nfs/dbraw/zinc/06/97/33/591069733.db2.gz VGGMODZVHNLGPM-CYBMUJFWSA-N 1 2 330.388 1.264 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(n2)CCCC3)C1 ZINC000891603377 591144231 /nfs/dbraw/zinc/14/42/31/591144231.db2.gz OXAICCWLBYDQNF-OAHLLOKOSA-N 1 2 340.427 1.113 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(n2)CCCC3)C1 ZINC000891603377 591144234 /nfs/dbraw/zinc/14/42/34/591144234.db2.gz OXAICCWLBYDQNF-OAHLLOKOSA-N 1 2 340.427 1.113 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C)nn2C(C)(C)C)C1 ZINC000891605549 591146455 /nfs/dbraw/zinc/14/64/55/591146455.db2.gz FXTUBLKDDSYTAK-AWEZNQCLSA-N 1 2 345.447 1.099 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C)nn2C(C)(C)C)C1 ZINC000891605549 591146459 /nfs/dbraw/zinc/14/64/59/591146459.db2.gz FXTUBLKDDSYTAK-AWEZNQCLSA-N 1 2 345.447 1.099 20 30 EDEDLO C#CCC1(O)CC[NH+](Cc2c(C(=O)OC(C)(C)C)cnn2C)CC1 ZINC000895671389 591248257 /nfs/dbraw/zinc/24/82/57/591248257.db2.gz SZLPLLVFXWYSSU-UHFFFAOYSA-N 1 2 333.432 1.726 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](C/C(C)=C/c2ccccc2)CC1 ZINC000895915561 591303647 /nfs/dbraw/zinc/30/36/47/591303647.db2.gz BSTYTYJACQKTHY-JQIJEIRASA-N 1 2 333.457 1.175 20 30 EDEDLO C#C[C@@H]1CCCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000896042475 591330367 /nfs/dbraw/zinc/33/03/67/591330367.db2.gz YFMQCKBTCBXHTO-QZTJIDSGSA-N 1 2 342.443 1.480 20 30 EDEDLO C#C[C@@H]1CCCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000896042475 591330371 /nfs/dbraw/zinc/33/03/71/591330371.db2.gz YFMQCKBTCBXHTO-QZTJIDSGSA-N 1 2 342.443 1.480 20 30 EDEDLO C[C@H](NC(=O)c1[nH]c2ccccc2c1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000896188240 591376194 /nfs/dbraw/zinc/37/61/94/591376194.db2.gz ZPYXDSOEQZPFBD-STQMWFEESA-N 1 2 326.400 1.879 20 30 EDEDLO C#CCSCC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000888171520 591431423 /nfs/dbraw/zinc/43/14/23/591431423.db2.gz NAOJOJMXPPVQOI-QGZVFWFLSA-N 1 2 332.469 1.851 20 30 EDEDLO N#Cc1c2ccccc2[nH]c1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000896521334 591490641 /nfs/dbraw/zinc/49/06/41/591490641.db2.gz MBFOWAXBALVYMQ-UHFFFAOYSA-N 1 2 349.398 1.089 20 30 EDEDLO N#Cc1cc(F)ccc1N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000895020256 591526731 /nfs/dbraw/zinc/52/67/31/591526731.db2.gz AMPARRYIUBHDIZ-UHFFFAOYSA-N 1 2 339.378 1.669 20 30 EDEDLO N#Cc1cc(F)ccc1N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000895020256 591526735 /nfs/dbraw/zinc/52/67/35/591526735.db2.gz AMPARRYIUBHDIZ-UHFFFAOYSA-N 1 2 339.378 1.669 20 30 EDEDLO Cn1cc(C[NH+]2CC3(C2)CCNC(=O)O3)c(-c2ccc(C#N)cc2)n1 ZINC000897751463 591643353 /nfs/dbraw/zinc/64/33/53/591643353.db2.gz OCDAIWUASRVNTM-UHFFFAOYSA-N 1 2 337.383 1.643 20 30 EDEDLO COCC(COC)[NH+]1CCN(C(=O)c2c(C)cc(C#N)cc2C)CC1 ZINC000899161417 591715480 /nfs/dbraw/zinc/71/54/80/591715480.db2.gz KENNOGVKPQKXJP-UHFFFAOYSA-N 1 2 345.443 1.594 20 30 EDEDLO N#C[C@]12C[N@H+](Cc3c(O)ccc4ccccc43)C[C@@H]1CS(=O)(=O)C2 ZINC000897295699 591819452 /nfs/dbraw/zinc/81/94/52/591819452.db2.gz FLURTUWPNUFVGJ-RDTXWAMCSA-N 1 2 342.420 1.916 20 30 EDEDLO N#C[C@]12C[N@@H+](Cc3c(O)ccc4ccccc43)C[C@@H]1CS(=O)(=O)C2 ZINC000897295699 591819454 /nfs/dbraw/zinc/81/94/54/591819454.db2.gz FLURTUWPNUFVGJ-RDTXWAMCSA-N 1 2 342.420 1.916 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)nc1 ZINC000728806051 591831114 /nfs/dbraw/zinc/83/11/14/591831114.db2.gz YZJAPWTXKKVXRE-UHFFFAOYSA-N 1 2 335.407 1.900 20 30 EDEDLO O=C1NC2(CCCCC2)C(=O)N1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000902601780 592022952 /nfs/dbraw/zinc/02/29/52/592022952.db2.gz SCZSWNVFGIJPID-UHFFFAOYSA-N 1 2 347.415 1.536 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(C(C)=O)c(Cl)c2)CC1 ZINC000902683277 592045770 /nfs/dbraw/zinc/04/57/70/592045770.db2.gz DSICFLCYCLJLKS-UHFFFAOYSA-N 1 2 334.803 1.699 20 30 EDEDLO C[C@H]([C@H](C)NC(=O)C(F)(F)c1ccccc1C#N)[NH+]1CCOCC1 ZINC000900592740 592062525 /nfs/dbraw/zinc/06/25/25/592062525.db2.gz LTKYGHMVPYVDNL-QWHCGFSZSA-N 1 2 337.370 1.875 20 30 EDEDLO C#CCCCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000901033899 592206016 /nfs/dbraw/zinc/20/60/16/592206016.db2.gz JFKDXEMJAPXJKW-KRWDZBQOSA-N 1 2 344.459 1.937 20 30 EDEDLO C#CCCCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000901033899 592206018 /nfs/dbraw/zinc/20/60/18/592206018.db2.gz JFKDXEMJAPXJKW-KRWDZBQOSA-N 1 2 344.459 1.937 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000906709257 592282205 /nfs/dbraw/zinc/28/22/05/592282205.db2.gz HRGAOJMAARQYBF-WMZOPIPTSA-N 1 2 346.475 1.662 20 30 EDEDLO CN1C(=O)CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000905250142 592476692 /nfs/dbraw/zinc/47/66/92/592476692.db2.gz QBQQSNYVAFLHME-KRWDZBQOSA-N 1 2 340.427 1.213 20 30 EDEDLO C=CCn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1CC[C@H](OCC)C1 ZINC000908695801 592575154 /nfs/dbraw/zinc/57/51/54/592575154.db2.gz UPNJIYZBOFIIGK-ILXRZTDVSA-N 1 2 335.452 1.471 20 30 EDEDLO C=CCn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1CC[C@H](OCC)C1 ZINC000908695801 592575155 /nfs/dbraw/zinc/57/51/55/592575155.db2.gz UPNJIYZBOFIIGK-ILXRZTDVSA-N 1 2 335.452 1.471 20 30 EDEDLO Cc1nn(C[C@@H](O)CC2(C#N)CCC2)c(C)c1[C@@H]1COCC[N@H+]1C ZINC000905965799 592692977 /nfs/dbraw/zinc/69/29/77/592692977.db2.gz PCQDMSTUIMXKEY-HOTGVXAUSA-N 1 2 332.448 1.948 20 30 EDEDLO Cc1nn(C[C@@H](O)CC2(C#N)CCC2)c(C)c1[C@@H]1COCC[N@@H+]1C ZINC000905965799 592692980 /nfs/dbraw/zinc/69/29/80/592692980.db2.gz PCQDMSTUIMXKEY-HOTGVXAUSA-N 1 2 332.448 1.948 20 30 EDEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CCN(C)[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000907566346 592712404 /nfs/dbraw/zinc/71/24/04/592712404.db2.gz YAKOTXYHQKVGHK-PTZVLDCSSA-N 1 2 338.411 1.972 20 30 EDEDLO CC1(C)CCCN(C(=O)c2coc(C[N@@H+]3CC[C@H](O)C3)n2)[C@@H]1C#N ZINC000907764316 592782693 /nfs/dbraw/zinc/78/26/93/592782693.db2.gz XQIFFYGHIKVBBD-GXTWGEPZSA-N 1 2 332.404 1.396 20 30 EDEDLO CC1(C)CCCN(C(=O)c2coc(C[N@H+]3CC[C@H](O)C3)n2)[C@@H]1C#N ZINC000907764316 592782697 /nfs/dbraw/zinc/78/26/97/592782697.db2.gz XQIFFYGHIKVBBD-GXTWGEPZSA-N 1 2 332.404 1.396 20 30 EDEDLO C#CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CSC1 ZINC000912361817 593090098 /nfs/dbraw/zinc/09/00/98/593090098.db2.gz GIYCVRCLPVOXMF-UHFFFAOYSA-N 1 2 342.380 1.971 20 30 EDEDLO C#CCCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000806911627 593126810 /nfs/dbraw/zinc/12/68/10/593126810.db2.gz DBBXYQITDNVMCF-UHFFFAOYSA-N 1 2 345.418 1.390 20 30 EDEDLO C#CCCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000806911627 593126812 /nfs/dbraw/zinc/12/68/12/593126812.db2.gz DBBXYQITDNVMCF-UHFFFAOYSA-N 1 2 345.418 1.390 20 30 EDEDLO C#CCOCCNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000784539352 593140264 /nfs/dbraw/zinc/14/02/64/593140264.db2.gz JRDJKYOTYKNUKJ-UHFFFAOYSA-N 1 2 345.443 1.562 20 30 EDEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000807283543 593160498 /nfs/dbraw/zinc/16/04/98/593160498.db2.gz BOOLMBZNINLYPC-CVEARBPZSA-N 1 2 340.383 1.628 20 30 EDEDLO CC[C@]1(C)CC(=O)N(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000808143433 593227289 /nfs/dbraw/zinc/22/72/89/593227289.db2.gz WOKFMSYPZDGZID-GOSISDBHSA-N 1 2 327.432 1.681 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000803520221 593339481 /nfs/dbraw/zinc/33/94/81/593339481.db2.gz JOIPGYUZDKNNBY-QGZVFWFLSA-N 1 2 329.444 1.194 20 30 EDEDLO C#CC[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000803520221 593339483 /nfs/dbraw/zinc/33/94/83/593339483.db2.gz JOIPGYUZDKNNBY-QGZVFWFLSA-N 1 2 329.444 1.194 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C(=O)OC)ccc2Cl)CC1 ZINC000810202685 593388501 /nfs/dbraw/zinc/38/85/01/593388501.db2.gz LILWWSHMEKNJJQ-UHFFFAOYSA-N 1 2 334.803 1.908 20 30 EDEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804332870 593405347 /nfs/dbraw/zinc/40/53/47/593405347.db2.gz CYQYKLAMESODCF-SJKOYZFVSA-N 1 2 332.404 1.576 20 30 EDEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCCO1 ZINC000773158563 593458200 /nfs/dbraw/zinc/45/82/00/593458200.db2.gz AOWBOVBFAVGSLW-JKSUJKDBSA-N 1 2 328.416 1.662 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)Cn2ccc(-c3ccc(F)cn3)n2)C1=O ZINC000840064981 593458263 /nfs/dbraw/zinc/45/82/63/593458263.db2.gz PCHCNXNTIQWMKN-INIZCTEOSA-N 1 2 329.379 1.760 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)Cn2ccc(-c3ccc(F)cn3)n2)C1=O ZINC000840064981 593458265 /nfs/dbraw/zinc/45/82/65/593458265.db2.gz PCHCNXNTIQWMKN-INIZCTEOSA-N 1 2 329.379 1.760 20 30 EDEDLO O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000816756541 593548452 /nfs/dbraw/zinc/54/84/52/593548452.db2.gz ZJNDUSOJEOOFPG-HUUCEWRRSA-N 1 2 335.379 1.287 20 30 EDEDLO O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000816756541 593548453 /nfs/dbraw/zinc/54/84/53/593548453.db2.gz ZJNDUSOJEOOFPG-HUUCEWRRSA-N 1 2 335.379 1.287 20 30 EDEDLO COc1cc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)ccc1C#N ZINC000820730456 593874050 /nfs/dbraw/zinc/87/40/50/593874050.db2.gz JGDQCHLXYIXSCS-UHFFFAOYSA-N 1 2 336.395 1.920 20 30 EDEDLO C#CC[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(=O)OC ZINC000821118334 593970248 /nfs/dbraw/zinc/97/02/48/593970248.db2.gz IRVUDFSJHOTJFY-GJZGRUSLSA-N 1 2 325.368 1.613 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000824867480 594087066 /nfs/dbraw/zinc/08/70/66/594087066.db2.gz QGKCRONLWKKESR-UHFFFAOYSA-N 1 2 333.344 1.882 20 30 EDEDLO CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2[nH+]ccn2C)c1 ZINC000825544792 594199253 /nfs/dbraw/zinc/19/92/53/594199253.db2.gz NRRFAVFWRMCMDF-CYBMUJFWSA-N 1 2 345.424 1.708 20 30 EDEDLO COC(=O)C1(C#N)CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000825732691 594233541 /nfs/dbraw/zinc/23/35/41/594233541.db2.gz VPNUWOGGEBHORQ-UHFFFAOYSA-N 1 2 327.344 1.645 20 30 EDEDLO C#CC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000829815288 594269443 /nfs/dbraw/zinc/26/94/43/594269443.db2.gz JAMTZVYIRVYYGJ-MRXNPFEDSA-N 1 2 348.468 1.442 20 30 EDEDLO C#CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1 ZINC000829815288 594269444 /nfs/dbraw/zinc/26/94/44/594269444.db2.gz JAMTZVYIRVYYGJ-MRXNPFEDSA-N 1 2 348.468 1.442 20 30 EDEDLO C#CCN(CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000826003909 594303396 /nfs/dbraw/zinc/30/33/96/594303396.db2.gz ZOMKAHDXKGDCFU-OAHLLOKOSA-N 1 2 346.431 1.917 20 30 EDEDLO C#CC1CC[NH+](Cc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)CC1 ZINC000830311210 594373101 /nfs/dbraw/zinc/37/31/01/594373101.db2.gz HKACOYUTTKSJEV-UHFFFAOYSA-N 1 2 343.431 1.481 20 30 EDEDLO C[N@H+](CC(F)F)C1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000829048961 594557255 /nfs/dbraw/zinc/55/72/55/594557255.db2.gz UWXATSNLDQIDLY-UHFFFAOYSA-N 1 2 329.391 1.885 20 30 EDEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000829048961 594557257 /nfs/dbraw/zinc/55/72/57/594557257.db2.gz UWXATSNLDQIDLY-UHFFFAOYSA-N 1 2 329.391 1.885 20 30 EDEDLO N#CC1(C(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)CCOCC1 ZINC000829064088 594560935 /nfs/dbraw/zinc/56/09/35/594560935.db2.gz JTGJSPSOAYSETO-HNNXBMFYSA-N 1 2 326.400 1.713 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CC2CC2)CC1 ZINC000831131363 594564599 /nfs/dbraw/zinc/56/45/99/594564599.db2.gz OUZVIFRPYSJBTJ-MRXNPFEDSA-N 1 2 329.448 1.685 20 30 EDEDLO C[S@@](=O)CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000829345027 594600029 /nfs/dbraw/zinc/60/00/29/594600029.db2.gz FYXLSBNSFOPLEQ-YCRPNKLZSA-N 1 2 325.865 1.901 20 30 EDEDLO C#CC1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000831475641 594638434 /nfs/dbraw/zinc/63/84/34/594638434.db2.gz MWRWBAGJBJTEHR-UHFFFAOYSA-N 1 2 331.420 1.092 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000827411726 594669476 /nfs/dbraw/zinc/66/94/76/594669476.db2.gz GVEGWAHMIJHPLM-UHFFFAOYSA-N 1 2 327.363 1.620 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N(C)CCC[NH3+])cc2[nH]c1=S ZINC000832781182 594776357 /nfs/dbraw/zinc/77/63/57/594776357.db2.gz DZFDYPNOBPUWGD-UHFFFAOYSA-N 1 2 332.429 1.292 20 30 EDEDLO O=C([O-])CCC[NH+]1CCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000833772790 594926793 /nfs/dbraw/zinc/92/67/93/594926793.db2.gz AIFNWYCGRBMRGU-UHFFFAOYSA-N 1 2 329.198 1.810 20 30 EDEDLO CCn1c[nH+]cc1CN=Nc1ccc(S(=O)(=O)NC2CC2)cn1 ZINC000841617809 594929305 /nfs/dbraw/zinc/92/93/05/594929305.db2.gz MDVGUPDUEAKRSI-UHFFFAOYSA-N 1 2 334.405 1.185 20 30 EDEDLO C=C[C@H](C)ONC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000845638633 595037348 /nfs/dbraw/zinc/03/73/48/595037348.db2.gz JGMJYTQGFMXDQZ-AWEZNQCLSA-N 1 2 347.415 1.791 20 30 EDEDLO COCCOCC[NH+]1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000845772757 595060253 /nfs/dbraw/zinc/06/02/53/595060253.db2.gz MNZKRLOCNSVTOM-UHFFFAOYSA-N 1 2 330.841 1.453 20 30 EDEDLO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Br)cc(Cl)c1O ZINC000834488182 595139567 /nfs/dbraw/zinc/13/95/67/595139567.db2.gz ACSJBQNEWDPZPW-LDWIPMOCSA-N 1 2 344.596 1.649 20 30 EDEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]N[C@@H]1CCOC1(C)C ZINC000835013689 595245942 /nfs/dbraw/zinc/24/59/42/595245942.db2.gz GJCFDIRHDVIIMR-OAHLLOKOSA-N 1 2 339.399 1.975 20 30 EDEDLO Cc1nnsc1CON=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000844235461 595310385 /nfs/dbraw/zinc/31/03/85/595310385.db2.gz KMCSQHYKFYTXGR-UHFFFAOYSA-N 1 2 347.444 1.516 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000848098643 595318273 /nfs/dbraw/zinc/31/82/73/595318273.db2.gz PGBWTJDYCZXNDK-UHFFFAOYSA-N 1 2 346.431 1.687 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](C[C@H]3CN(C4CC4)C(=O)O3)CC2)n1 ZINC000844317888 595322919 /nfs/dbraw/zinc/32/29/19/595322919.db2.gz PUARQASMPCSIEG-HNNXBMFYSA-N 1 2 327.388 1.058 20 30 EDEDLO CON1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000846977836 595345413 /nfs/dbraw/zinc/34/54/13/595345413.db2.gz UCWXFYIHGIAMRC-MRXNPFEDSA-N 1 2 330.432 1.809 20 30 EDEDLO Cc1nn(C)c(Br)c1C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000844526827 595355196 /nfs/dbraw/zinc/35/51/96/595355196.db2.gz JJRXIQFRPOJVPN-LBPRGKRZSA-N 1 2 328.214 1.065 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000844527700 595355236 /nfs/dbraw/zinc/35/52/36/595355236.db2.gz BLCVOYQGIRFVGN-CJNGLKHVSA-N 1 2 336.342 1.418 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC000844527703 595355320 /nfs/dbraw/zinc/35/53/20/595355320.db2.gz BLCVOYQGIRFVGN-CZUORRHYSA-N 1 2 336.342 1.418 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2nc(F)ccc2Br)CC1 ZINC000847489642 595432388 /nfs/dbraw/zinc/43/23/88/595432388.db2.gz REFQDNORXTVIIC-UHFFFAOYSA-N 1 2 326.169 1.374 20 30 EDEDLO CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000845132113 595448403 /nfs/dbraw/zinc/44/84/03/595448403.db2.gz ZBVXSPFCOWCSRV-HZPDHXFCSA-N 1 2 339.399 1.445 20 30 EDEDLO C#CCN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000112920362 595568083 /nfs/dbraw/zinc/56/80/83/595568083.db2.gz LZYLRJKEOGYOEO-UHFFFAOYSA-N 1 2 339.355 1.172 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1 ZINC000112921061 595568937 /nfs/dbraw/zinc/56/89/37/595568937.db2.gz WGYKDZMEUDIGGU-UHFFFAOYSA-N 1 2 328.412 1.826 20 30 EDEDLO C#CCCN(CCOC)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000850725618 595612680 /nfs/dbraw/zinc/61/26/80/595612680.db2.gz XAXCSYDQIUXDGO-UHFFFAOYSA-N 1 2 328.372 1.080 20 30 EDEDLO COc1cc(NC[C@@H](O)C[N@H+](C)CCC#N)ccc1OC(F)F ZINC000853120636 595672090 /nfs/dbraw/zinc/67/20/90/595672090.db2.gz NLTOZLMSTWHTNV-GFCCVEGCSA-N 1 2 329.347 1.915 20 30 EDEDLO COc1cc(NC[C@@H](O)C[N@@H+](C)CCC#N)ccc1OC(F)F ZINC000853120636 595672093 /nfs/dbraw/zinc/67/20/93/595672093.db2.gz NLTOZLMSTWHTNV-GFCCVEGCSA-N 1 2 329.347 1.915 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@H]1COCC[N@H+]1C)c1ccc(Cl)cc1F ZINC000858448066 595797776 /nfs/dbraw/zinc/79/77/76/595797776.db2.gz KSGMCWRCVDGCFI-WFASDCNBSA-N 1 2 339.798 1.783 20 30 EDEDLO C#C[C@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)c1ccc(Cl)cc1F ZINC000858448066 595797778 /nfs/dbraw/zinc/79/77/78/595797778.db2.gz KSGMCWRCVDGCFI-WFASDCNBSA-N 1 2 339.798 1.783 20 30 EDEDLO Cc1cc(NCCOCCN(C)C(=O)OC(C)(C)C)c(C#N)c[nH+]1 ZINC000858727913 595874070 /nfs/dbraw/zinc/87/40/70/595874070.db2.gz JFYBKHIVQRZASL-UHFFFAOYSA-N 1 2 334.420 1.979 20 30 EDEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000851737610 595902188 /nfs/dbraw/zinc/90/21/88/595902188.db2.gz JJAKFFPBHDTYMB-INIZCTEOSA-N 1 2 332.375 1.425 20 30 EDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000851737610 595902190 /nfs/dbraw/zinc/90/21/90/595902190.db2.gz JJAKFFPBHDTYMB-INIZCTEOSA-N 1 2 332.375 1.425 20 30 EDEDLO C[C@@]1(Br)C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000858944660 595928844 /nfs/dbraw/zinc/92/88/44/595928844.db2.gz QFOKFRYQZPTBRT-GXTWGEPZSA-N 1 2 344.253 1.234 20 30 EDEDLO C#CC[C@@H](COC)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000859027479 595954591 /nfs/dbraw/zinc/95/45/91/595954591.db2.gz JIXVPSOVHMBCOZ-JKSUJKDBSA-N 1 2 344.390 1.986 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2[nH]c1=S ZINC000114337088 596006178 /nfs/dbraw/zinc/00/61/78/596006178.db2.gz ZZEMFVIQPTZAFV-UHFFFAOYSA-N 1 2 341.396 1.524 20 30 EDEDLO CCc1noc(C[C@]2(O)CCCN(c3cc(C)[nH+]cc3C#N)C2)n1 ZINC000856567574 596019135 /nfs/dbraw/zinc/01/91/35/596019135.db2.gz OZTIFRNRTVKTOM-QGZVFWFLSA-N 1 2 327.388 1.781 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000859356820 596062425 /nfs/dbraw/zinc/06/24/25/596062425.db2.gz AGOLIIKASNYPPT-UHFFFAOYSA-N 1 2 344.415 1.820 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000854411219 596067751 /nfs/dbraw/zinc/06/77/51/596067751.db2.gz NICHGODYIDFMNR-OAHLLOKOSA-N 1 2 338.411 1.622 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000854411219 596067754 /nfs/dbraw/zinc/06/77/54/596067754.db2.gz NICHGODYIDFMNR-OAHLLOKOSA-N 1 2 338.411 1.622 20 30 EDEDLO COC(=O)CC[C@H](C(=O)OC)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210744 596086868 /nfs/dbraw/zinc/08/68/68/596086868.db2.gz KWFRWKYBYKSQOS-HUUCEWRRSA-N 1 2 334.372 1.018 20 30 EDEDLO COC(=O)CC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210744 596086873 /nfs/dbraw/zinc/08/68/73/596086873.db2.gz KWFRWKYBYKSQOS-HUUCEWRRSA-N 1 2 334.372 1.018 20 30 EDEDLO C#CC[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000852229639 596092936 /nfs/dbraw/zinc/09/29/36/596092936.db2.gz ZVFTUZFCPPECNA-ROUUACIJSA-N 1 2 327.428 1.867 20 30 EDEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000852319792 596125251 /nfs/dbraw/zinc/12/52/51/596125251.db2.gz RSELCHVKKQLRFK-NSHDSACASA-N 1 2 346.456 1.900 20 30 EDEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000852319792 596125253 /nfs/dbraw/zinc/12/52/53/596125253.db2.gz RSELCHVKKQLRFK-NSHDSACASA-N 1 2 346.456 1.900 20 30 EDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000859545842 596128235 /nfs/dbraw/zinc/12/82/35/596128235.db2.gz RLDKVWGEZSKWQO-NSHDSACASA-N 1 2 335.429 1.247 20 30 EDEDLO C=CC[N@@H+](CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1)[C@@H](C)COC ZINC000852360178 596136411 /nfs/dbraw/zinc/13/64/11/596136411.db2.gz UQOYOMZVCMHOEG-RYUDHWBXSA-N 1 2 325.409 1.028 20 30 EDEDLO C=CC[N@H+](CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1)[C@@H](C)COC ZINC000852360178 596136412 /nfs/dbraw/zinc/13/64/12/596136412.db2.gz UQOYOMZVCMHOEG-RYUDHWBXSA-N 1 2 325.409 1.028 20 30 EDEDLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@H]1CCCN(O)C1=O ZINC000854648959 596149373 /nfs/dbraw/zinc/14/93/73/596149373.db2.gz NLQFMRANMYTNJA-KBPBESRZSA-N 1 2 328.372 1.428 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c(C#N)c1C ZINC000852437248 596162391 /nfs/dbraw/zinc/16/23/91/596162391.db2.gz WLVPRQFGJZJRSB-GFCCVEGCSA-N 1 2 348.428 1.702 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c(C#N)c1C ZINC000852437248 596162393 /nfs/dbraw/zinc/16/23/93/596162393.db2.gz WLVPRQFGJZJRSB-GFCCVEGCSA-N 1 2 348.428 1.702 20 30 EDEDLO C#C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000852648480 596219043 /nfs/dbraw/zinc/21/90/43/596219043.db2.gz PBNQRMWARMUTCH-INIZCTEOSA-N 1 2 328.416 1.342 20 30 EDEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000865041784 596453855 /nfs/dbraw/zinc/45/38/55/596453855.db2.gz CMPXVNVPVMGHEM-QPJJXVBHSA-N 1 2 325.412 1.961 20 30 EDEDLO C=C(C)CS(=O)(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@@H]2C1 ZINC000867623923 596466842 /nfs/dbraw/zinc/46/68/42/596466842.db2.gz FFPBMXPHDWBEDZ-HUUCEWRRSA-N 1 2 337.445 1.397 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N=NC[C@@H]3CC34CC4)cc2)CC1 ZINC000863089760 596502352 /nfs/dbraw/zinc/50/23/52/596502352.db2.gz ISJSWDFLIQXHKZ-AWEZNQCLSA-N 1 2 348.472 1.821 20 30 EDEDLO N#CCc1cccc2c1CC[N@@H+](CN1C[C@@]3(CCOC3)CC1=O)C2 ZINC000863336795 596555016 /nfs/dbraw/zinc/55/50/16/596555016.db2.gz UUGRZYLVZOQAGB-LJQANCHMSA-N 1 2 325.412 1.707 20 30 EDEDLO N#CCc1cccc2c1CC[N@H+](CN1C[C@@]3(CCOC3)CC1=O)C2 ZINC000863336795 596555018 /nfs/dbraw/zinc/55/50/18/596555018.db2.gz UUGRZYLVZOQAGB-LJQANCHMSA-N 1 2 325.412 1.707 20 30 EDEDLO N#CC1(C(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)CCOCC1 ZINC000871418776 596576117 /nfs/dbraw/zinc/57/61/17/596576117.db2.gz JTGJSPSOAYSETO-OAHLLOKOSA-N 1 2 326.400 1.713 20 30 EDEDLO Cc1cccc(C#N)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000871808320 596705618 /nfs/dbraw/zinc/70/56/18/596705618.db2.gz YJWOLRRFEOBDEN-MRXNPFEDSA-N 1 2 342.424 1.597 20 30 EDEDLO Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCCCC#N)C2)c1 ZINC000868491440 596860010 /nfs/dbraw/zinc/86/00/10/596860010.db2.gz FXFJTBLAYFCNGG-QGZVFWFLSA-N 1 2 330.432 1.799 20 30 EDEDLO Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCCCC#N)C2)c1 ZINC000868491440 596860013 /nfs/dbraw/zinc/86/00/13/596860013.db2.gz FXFJTBLAYFCNGG-QGZVFWFLSA-N 1 2 330.432 1.799 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000872443238 596909553 /nfs/dbraw/zinc/90/95/53/596909553.db2.gz XHTVCYNNVFSRLZ-UHFFFAOYSA-N 1 2 335.411 1.015 20 30 EDEDLO CC(C)(CC#N)CNC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000875661605 596937188 /nfs/dbraw/zinc/93/71/88/596937188.db2.gz RASSZHQYADZZOE-LSDHHAIUSA-N 1 2 343.431 1.486 20 30 EDEDLO Cc1nc(NC(=O)C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)ccc1C#N ZINC000874159541 596945514 /nfs/dbraw/zinc/94/55/14/596945514.db2.gz WIBFWRAUEHVUGF-INIZCTEOSA-N 1 2 349.394 1.503 20 30 EDEDLO Cc1nc(NC(=O)C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)ccc1C#N ZINC000874159541 596945516 /nfs/dbraw/zinc/94/55/16/596945516.db2.gz WIBFWRAUEHVUGF-INIZCTEOSA-N 1 2 349.394 1.503 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CN3C[C@H]4CCCCN4C3=O)CC2)cc1 ZINC000872728367 597048765 /nfs/dbraw/zinc/04/87/65/597048765.db2.gz IRBZVLFEQMUHRL-GOSISDBHSA-N 1 2 339.443 1.928 20 30 EDEDLO Cc1ccc([C@@H]2CC(=O)N(C[NH+]3CCN(CCC#N)CC3)C2)cc1 ZINC000872733973 597051187 /nfs/dbraw/zinc/05/11/87/597051187.db2.gz TUADVKFLGWIYGU-GOSISDBHSA-N 1 2 326.444 1.800 20 30 EDEDLO C#C[C@H]1CC[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)CC1 ZINC000876441603 597206650 /nfs/dbraw/zinc/20/66/50/597206650.db2.gz ZIORYRRRGUAKFA-KKUMJFAQSA-N 1 2 332.448 1.971 20 30 EDEDLO CN(C)c1ccc(C#N)cc1C[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000876548717 597235697 /nfs/dbraw/zinc/23/56/97/597235697.db2.gz RANLMINARYZMEV-UHFFFAOYSA-N 1 2 341.459 1.020 20 30 EDEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000877553080 597534435 /nfs/dbraw/zinc/53/44/35/597534435.db2.gz ZEJJKBKMDWGYIR-AWEZNQCLSA-N 1 2 332.795 1.528 20 30 EDEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000877553080 597534436 /nfs/dbraw/zinc/53/44/36/597534436.db2.gz ZEJJKBKMDWGYIR-AWEZNQCLSA-N 1 2 332.795 1.528 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877662479 597546001 /nfs/dbraw/zinc/54/60/01/597546001.db2.gz SPXWRJYKTVYCRP-NSHDSACASA-N 1 2 342.852 1.368 20 30 EDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877662479 597546002 /nfs/dbraw/zinc/54/60/02/597546002.db2.gz SPXWRJYKTVYCRP-NSHDSACASA-N 1 2 342.852 1.368 20 30 EDEDLO C=C(Cl)C[C@H](NC1CC[NH+](CC(=O)OC)CC1)C(=O)OCC ZINC000877671278 597546524 /nfs/dbraw/zinc/54/65/24/597546524.db2.gz HAWZVIXBDNSMIJ-ZDUSSCGKSA-N 1 2 332.828 1.288 20 30 EDEDLO CC(C)CC(=O)N1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000877772433 597554134 /nfs/dbraw/zinc/55/41/34/597554134.db2.gz DTBHDPMBUCFFMX-UHFFFAOYSA-N 1 2 340.431 1.681 20 30 EDEDLO CC(C)CC(=O)N1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000877772433 597554135 /nfs/dbraw/zinc/55/41/35/597554135.db2.gz DTBHDPMBUCFFMX-UHFFFAOYSA-N 1 2 340.431 1.681 20 30 EDEDLO C=CCn1cc(C(=O)N2CC[NH+](Cc3ccc(CC)cc3)CC2)nn1 ZINC000881618072 597659790 /nfs/dbraw/zinc/65/97/90/597659790.db2.gz CGFZCDCPGSITJM-UHFFFAOYSA-N 1 2 339.443 1.985 20 30 EDEDLO C#CC1(F)CN(C(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)C1 ZINC000881940386 597807955 /nfs/dbraw/zinc/80/79/55/597807955.db2.gz XXESOKJXIWVTHE-CZUORRHYSA-N 1 2 346.406 1.294 20 30 EDEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2cc(C)nn2C(C)(C)C)CC1 ZINC000880479147 597941672 /nfs/dbraw/zinc/94/16/72/597941672.db2.gz KTSASICMQSCRIT-UHFFFAOYSA-N 1 2 332.448 1.735 20 30 EDEDLO COc1ccccc1CCNC(=O)CO[NH+]=C(N)c1ccccc1 ZINC000024034371 597952646 /nfs/dbraw/zinc/95/26/46/597952646.db2.gz GKQHYDSGCUBJFQ-UHFFFAOYSA-N 1 2 327.384 1.691 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCOc1cccc(Cl)c1 ZINC000884093288 597992708 /nfs/dbraw/zinc/99/27/08/597992708.db2.gz CXGDGSUQQXFTJL-ZDUSSCGKSA-N 1 2 326.780 1.282 20 30 EDEDLO N#Cc1cc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(F)cc1F ZINC000880709837 597997591 /nfs/dbraw/zinc/99/75/91/597997591.db2.gz CTZREYGQBDXIGT-LBPRGKRZSA-N 1 2 336.342 1.775 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000884146954 598007647 /nfs/dbraw/zinc/00/76/47/598007647.db2.gz WGIKRNQREUNBPX-VNHYZAJKSA-N 1 2 326.437 1.391 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000884223177 598034694 /nfs/dbraw/zinc/03/46/94/598034694.db2.gz JZVCVTUMPKSOPS-DLBZAZTESA-N 1 2 345.443 1.863 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(OC(F)F)cc1F ZINC000884468463 598113725 /nfs/dbraw/zinc/11/37/25/598113725.db2.gz CQMCIKLFRTYVML-LBPRGKRZSA-N 1 2 346.305 1.490 20 30 EDEDLO C[C@@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)C[C@@H](C)N1CC#N ZINC000915176692 695755489 /nfs/dbraw/zinc/75/54/89/695755489.db2.gz GKBQSDZCRVYJQJ-HZPDHXFCSA-N 1 2 341.459 1.630 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H]1C ZINC000993335255 695991460 /nfs/dbraw/zinc/99/14/60/695991460.db2.gz VSDDIROPGPTOFS-CHWSQXEVSA-N 1 2 337.855 1.878 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc(N(C)C)cn2)[C@H]1C ZINC000993335255 695991461 /nfs/dbraw/zinc/99/14/61/695991461.db2.gz VSDDIROPGPTOFS-CHWSQXEVSA-N 1 2 337.855 1.878 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H]1C ZINC000993598948 696251443 /nfs/dbraw/zinc/25/14/43/696251443.db2.gz FKWBQUQUGMWVDD-YPMHNXCESA-N 1 2 348.838 1.699 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cnc3c(c2)nnn3C)[C@H]1C ZINC000993598948 696251446 /nfs/dbraw/zinc/25/14/46/696251446.db2.gz FKWBQUQUGMWVDD-YPMHNXCESA-N 1 2 348.838 1.699 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccn(C)n3)[C@@H]2C)c1 ZINC000993768855 696365312 /nfs/dbraw/zinc/36/53/12/696365312.db2.gz FZLZMKWEMQMXLP-RDTXWAMCSA-N 1 2 337.427 1.579 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccn(C)n3)[C@@H]2C)c1 ZINC000993768855 696365314 /nfs/dbraw/zinc/36/53/14/696365314.db2.gz FZLZMKWEMQMXLP-RDTXWAMCSA-N 1 2 337.427 1.579 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C)no3)[C@H]2C)nn1 ZINC000993955875 696462744 /nfs/dbraw/zinc/46/27/44/696462744.db2.gz XWFCIWDDXQZDPY-DZGCQCFKSA-N 1 2 344.419 1.543 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C)no3)[C@H]2C)nn1 ZINC000993955875 696462745 /nfs/dbraw/zinc/46/27/45/696462745.db2.gz XWFCIWDDXQZDPY-DZGCQCFKSA-N 1 2 344.419 1.543 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCC[N@@H+]1Cc1ccccc1C#N ZINC000993995399 696486116 /nfs/dbraw/zinc/48/61/16/696486116.db2.gz PVBCMMGNMHEGJO-BBRMVZONSA-N 1 2 338.415 1.470 20 30 EDEDLO C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCC[N@H+]1Cc1ccccc1C#N ZINC000993995399 696486117 /nfs/dbraw/zinc/48/61/17/696486117.db2.gz PVBCMMGNMHEGJO-BBRMVZONSA-N 1 2 338.415 1.470 20 30 EDEDLO Cc1cc(C)c(C(=O)NC[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)c(C)[nH+]1 ZINC000994429752 696849334 /nfs/dbraw/zinc/84/93/34/696849334.db2.gz RROXSQOJQHOXPE-XJKCOSOUSA-N 1 2 342.443 1.991 20 30 EDEDLO C=C1CCC(C(=O)N2CC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000994612264 697311376 /nfs/dbraw/zinc/31/13/76/697311376.db2.gz KZABQZISTPPXCQ-HNNXBMFYSA-N 1 2 342.443 1.519 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000943349929 698131294 /nfs/dbraw/zinc/13/12/94/698131294.db2.gz QMQXTKMTTPGFBT-GXTWGEPZSA-N 1 2 339.399 1.833 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCCN(C(=O)[C@@H](C)C#N)C2)c[nH+]1 ZINC000943338912 698157542 /nfs/dbraw/zinc/15/75/42/698157542.db2.gz YSEOMSGCCVRWHY-DZGCQCFKSA-N 1 2 345.447 1.584 20 30 EDEDLO C[C@H]1C[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CCO1 ZINC001032076421 698194421 /nfs/dbraw/zinc/19/44/21/698194421.db2.gz DAIQIDVZBKRBHG-GOEBONIOSA-N 1 2 327.428 1.921 20 30 EDEDLO CC(C)n1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)nn1 ZINC001032079886 698275084 /nfs/dbraw/zinc/27/50/84/698275084.db2.gz XWGOULVFKVKVMH-UHFFFAOYSA-N 1 2 338.415 1.592 20 30 EDEDLO C=C(Cl)C(C)(C)C(=O)N1CC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000938573550 698299508 /nfs/dbraw/zinc/29/95/08/698299508.db2.gz IAPIIIBQCVPBCF-LBPRGKRZSA-N 1 2 338.839 1.790 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 ZINC000943548410 698492861 /nfs/dbraw/zinc/49/28/61/698492861.db2.gz NICCOVIHKGONBP-KOLCDFICSA-N 1 2 342.241 1.164 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)[C@H](C)C1 ZINC000943548410 698492862 /nfs/dbraw/zinc/49/28/62/698492862.db2.gz NICCOVIHKGONBP-KOLCDFICSA-N 1 2 342.241 1.164 20 30 EDEDLO Cc1cc(=O)c(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)c[nH]1 ZINC001032100322 698727580 /nfs/dbraw/zinc/72/75/80/698727580.db2.gz NOYIBKJXNQEARZ-UHFFFAOYSA-N 1 2 336.395 1.417 20 30 EDEDLO C=C1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC000938905980 698921425 /nfs/dbraw/zinc/92/14/25/698921425.db2.gz KCEVZTILFFCAOG-MRXNPFEDSA-N 1 2 344.459 1.768 20 30 EDEDLO C=C1CCC(C(=O)N(C)[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC000938905979 698921494 /nfs/dbraw/zinc/92/14/94/698921494.db2.gz KCEVZTILFFCAOG-INIZCTEOSA-N 1 2 344.459 1.768 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C3CC3)CC2)C1 ZINC000941499262 701560754 /nfs/dbraw/zinc/56/07/54/701560754.db2.gz PSAKMSIAEQNIDT-RBUKOAKNSA-N 1 2 329.488 1.664 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(C(C)C)on3)CC2)C1 ZINC000941506880 701563044 /nfs/dbraw/zinc/56/30/44/701563044.db2.gz RZLCWPNIABENIN-UHFFFAOYSA-N 1 2 330.432 1.263 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cccc(Cl)c3F)CC2)C1 ZINC000941540547 701570494 /nfs/dbraw/zinc/57/04/94/701570494.db2.gz GVZZCOWCIHBLTN-UHFFFAOYSA-N 1 2 349.837 1.944 20 30 EDEDLO C[C@H]1COCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001031958698 701579544 /nfs/dbraw/zinc/57/95/44/701579544.db2.gz YFMHVWWGRNWODL-SUMWQHHRSA-N 1 2 345.418 1.918 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC#CC)C2)CC1 ZINC000941599554 701592286 /nfs/dbraw/zinc/59/22/86/701592286.db2.gz CARKULJBEDJBPN-OALUTQOASA-N 1 2 345.487 1.209 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCO[C@H](CC)C3)CC2)C1 ZINC000941632990 701600982 /nfs/dbraw/zinc/60/09/82/701600982.db2.gz YONLOHHBUZWVGV-FUHWJXTLSA-N 1 2 333.476 1.043 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3csc(Cl)n3)CC2)C1 ZINC000941629935 701599903 /nfs/dbraw/zinc/59/99/03/701599903.db2.gz BFXJYMFOSRAEFN-UHFFFAOYSA-N 1 2 338.864 1.262 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@]3(CC)C(C)C)CC2)C1 ZINC000941622310 701604399 /nfs/dbraw/zinc/60/43/99/701604399.db2.gz GSORWIIXKMIUDL-AZUAARDMSA-N 1 2 331.504 1.910 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)c3ccco3)CC2)C1 ZINC000941640932 701604767 /nfs/dbraw/zinc/60/47/67/701604767.db2.gz JQRZKTIRGQLURX-MRXNPFEDSA-N 1 2 329.444 1.625 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3csnn3)C2)cn1 ZINC000939567778 699710744 /nfs/dbraw/zinc/71/07/44/699710744.db2.gz NFMDLFNQZLTQLG-ABAIWWIYSA-N 1 2 327.413 1.165 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3sc(C)nc3C)CC2)C1 ZINC000941660691 701608169 /nfs/dbraw/zinc/60/81/69/701608169.db2.gz VBDJIAOTVSVAJK-UHFFFAOYSA-N 1 2 332.473 1.225 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3ccccc3C)CC2)C1 ZINC000941661774 701608377 /nfs/dbraw/zinc/60/83/77/701608377.db2.gz HMVWCJQBOQZPKM-UHFFFAOYSA-N 1 2 325.456 1.389 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc(F)cc3C)CC2)C1 ZINC000941645240 701609901 /nfs/dbraw/zinc/60/99/01/701609901.db2.gz LUPVWISBWBZGEE-UHFFFAOYSA-N 1 2 329.419 1.599 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C)cc3OC)CC2)C1 ZINC000941645236 701609945 /nfs/dbraw/zinc/60/99/45/701609945.db2.gz LSEFQXVULNNBDP-UHFFFAOYSA-N 1 2 327.428 1.079 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3c(C)csc3Cl)CC2)C1 ZINC000941653525 701612615 /nfs/dbraw/zinc/61/26/15/701612615.db2.gz XMXYCBCVRXVFKZ-UHFFFAOYSA-N 1 2 337.876 1.785 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3ccc(C)cc3)CC2)C1 ZINC000941674681 701614618 /nfs/dbraw/zinc/61/46/18/701614618.db2.gz GZCHFRRRSGBMTM-SFHVURJKSA-N 1 2 339.483 1.635 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3ccccc3)CC2)C1 ZINC000941675018 701614793 /nfs/dbraw/zinc/61/47/93/701614793.db2.gz QIGCWGMLVXZQLH-KRWDZBQOSA-N 1 2 325.456 1.327 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000945437623 700288840 /nfs/dbraw/zinc/28/88/40/700288840.db2.gz JIWOOYKWAPWEMZ-HIFRSBDPSA-N 1 2 332.448 1.908 20 30 EDEDLO Cc1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)cn1 ZINC001032261090 700343235 /nfs/dbraw/zinc/34/32/35/700343235.db2.gz XMRGMCSFSZCBGI-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO Cc1cnc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)cn1 ZINC001032261090 700343238 /nfs/dbraw/zinc/34/32/38/700343238.db2.gz XMRGMCSFSZCBGI-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO N#Cc1cc(C(=O)N2CC(NC(=O)c3cc4c[nH+]ccc4[nH]3)C2)c[nH]1 ZINC000995063389 700465575 /nfs/dbraw/zinc/46/55/75/700465575.db2.gz DMUDLXIBFJMZMG-UHFFFAOYSA-N 1 2 334.339 1.017 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940685500 700844942 /nfs/dbraw/zinc/84/49/42/700844942.db2.gz BGWHMIDJQHGXRL-OAHLLOKOSA-N 1 2 340.431 1.650 20 30 EDEDLO Cn1ccnc1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C(C)(C)C1 ZINC000940685500 700844943 /nfs/dbraw/zinc/84/49/43/700844943.db2.gz BGWHMIDJQHGXRL-OAHLLOKOSA-N 1 2 340.431 1.650 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2csc(=O)[nH]2)C1 ZINC001031914328 700967142 /nfs/dbraw/zinc/96/71/42/700967142.db2.gz HLYHGBDYCPNKGS-UHFFFAOYSA-N 1 2 328.397 1.582 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nncn2C)CC1(C)C ZINC000941039461 701061670 /nfs/dbraw/zinc/06/16/70/701061670.db2.gz QLFKPNRGFMXOBH-ILXRZTDVSA-N 1 2 347.463 1.123 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2nncn2C)CC1(C)C ZINC000941039461 701061671 /nfs/dbraw/zinc/06/16/71/701061671.db2.gz QLFKPNRGFMXOBH-ILXRZTDVSA-N 1 2 347.463 1.123 20 30 EDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941149476 701369388 /nfs/dbraw/zinc/36/93/88/701369388.db2.gz YPRDAIKJTXMQBP-HUUCEWRRSA-N 1 2 340.489 1.051 20 30 EDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941149476 701369389 /nfs/dbraw/zinc/36/93/89/701369389.db2.gz YPRDAIKJTXMQBP-HUUCEWRRSA-N 1 2 340.489 1.051 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[C@@H](OC)C3)CC2)C1 ZINC000941427486 701526204 /nfs/dbraw/zinc/52/62/04/701526204.db2.gz AZPXKWXOAKGGIM-SJLPKXTDSA-N 1 2 333.476 1.043 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H](C)c3ccncc3)CC2)C1 ZINC000941454500 701548346 /nfs/dbraw/zinc/54/83/46/701548346.db2.gz GZDAWXVDQLGDDS-KRWDZBQOSA-N 1 2 340.471 1.427 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@H]1CCc2n[nH]nc2C1 ZINC001032126795 701706528 /nfs/dbraw/zinc/70/65/28/701706528.db2.gz HGANWVOUJBZMPU-KRWDZBQOSA-N 1 2 349.438 1.009 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)c2cccc(NC(=O)NC)c2)C1 ZINC001032129933 701831076 /nfs/dbraw/zinc/83/10/76/701831076.db2.gz SDAULVAGURSIHR-UHFFFAOYSA-N 1 2 336.823 1.852 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC000999195508 706638365 /nfs/dbraw/zinc/63/83/65/706638365.db2.gz RUMQJKYAJUURDN-KFWWJZLASA-N 1 2 348.447 1.694 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)cc1 ZINC000941934286 702114393 /nfs/dbraw/zinc/11/43/93/702114393.db2.gz PVTIGBMLQXTJEX-MRXNPFEDSA-N 1 2 336.395 1.273 20 30 EDEDLO Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)n1 ZINC000941967059 702227749 /nfs/dbraw/zinc/22/77/49/702227749.db2.gz PPBRYWHBTABBIT-ZWNOBZJWSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1noc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H](C)C2)n1 ZINC000941967059 702227751 /nfs/dbraw/zinc/22/77/51/702227751.db2.gz PPBRYWHBTABBIT-ZWNOBZJWSA-N 1 2 328.376 1.218 20 30 EDEDLO CCn1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)n1 ZINC001032663780 706652687 /nfs/dbraw/zinc/65/26/87/706652687.db2.gz CGXGQDDRKLIERE-IRXDYDNUSA-N 1 2 335.411 1.874 20 30 EDEDLO CCn1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)n1 ZINC001032663780 706652689 /nfs/dbraw/zinc/65/26/89/706652689.db2.gz CGXGQDDRKLIERE-IRXDYDNUSA-N 1 2 335.411 1.874 20 30 EDEDLO Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)o1 ZINC000941962682 702247594 /nfs/dbraw/zinc/24/75/94/702247594.db2.gz GNASHAOIQFUWNY-HZMBPMFUSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1nnc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H](C)C2)o1 ZINC000941962682 702247599 /nfs/dbraw/zinc/24/75/99/702247599.db2.gz GNASHAOIQFUWNY-HZMBPMFUSA-N 1 2 328.376 1.218 20 30 EDEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)nn1C ZINC001032303922 702884248 /nfs/dbraw/zinc/88/42/48/702884248.db2.gz NTUGAECREROHOE-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)nn1C ZINC001032303922 702884251 /nfs/dbraw/zinc/88/42/51/702884251.db2.gz NTUGAECREROHOE-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2c(c1)OCCO2 ZINC001032316737 703001501 /nfs/dbraw/zinc/00/15/01/703001501.db2.gz DVNRRMOCDLMDFK-QEJZJMRPSA-N 1 2 327.384 1.403 20 30 EDEDLO C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2c(c1)OCCO2 ZINC001032316737 703001504 /nfs/dbraw/zinc/00/15/04/703001504.db2.gz DVNRRMOCDLMDFK-QEJZJMRPSA-N 1 2 327.384 1.403 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2csnn2)[C@H](C)C1 ZINC000942538687 703040356 /nfs/dbraw/zinc/04/03/56/703040356.db2.gz VCEOOZKRETVYFN-SCZZXKLOSA-N 1 2 345.266 1.887 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2csnn2)[C@H](C)C1 ZINC000942538687 703040358 /nfs/dbraw/zinc/04/03/58/703040358.db2.gz VCEOOZKRETVYFN-SCZZXKLOSA-N 1 2 345.266 1.887 20 30 EDEDLO C=CCn1cc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)nn1 ZINC001032035498 703103125 /nfs/dbraw/zinc/10/31/25/703103125.db2.gz BHTODYDSZJPPRA-UHFFFAOYSA-N 1 2 336.399 1.198 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C[C@@H]2C)c1 ZINC000942615902 703130284 /nfs/dbraw/zinc/13/02/84/703130284.db2.gz JHQNBLHQJZTWBH-BLLLJJGKSA-N 1 2 338.415 1.130 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)[nH]3)C[C@@H]2C)c1 ZINC000942615902 703130285 /nfs/dbraw/zinc/13/02/85/703130285.db2.gz JHQNBLHQJZTWBH-BLLLJJGKSA-N 1 2 338.415 1.130 20 30 EDEDLO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3cnc(C)o3)C2)nn1 ZINC001032042158 703226774 /nfs/dbraw/zinc/22/67/74/703226774.db2.gz QXOYHCBEMCBZDQ-UHFFFAOYSA-N 1 2 330.392 1.012 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)[nH]1 ZINC001032362596 703228963 /nfs/dbraw/zinc/22/89/63/703228963.db2.gz IYABUZUKZCDVFG-IRXDYDNUSA-N 1 2 331.379 1.857 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)[nH]1 ZINC001032362596 703228965 /nfs/dbraw/zinc/22/89/65/703228965.db2.gz IYABUZUKZCDVFG-IRXDYDNUSA-N 1 2 331.379 1.857 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC2CCCC2)c1 ZINC001032704100 706753269 /nfs/dbraw/zinc/75/32/69/706753269.db2.gz FAFJGSJSKNOQLF-ROUUACIJSA-N 1 2 326.444 1.995 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC2CCCC2)c1 ZINC001032704100 706753272 /nfs/dbraw/zinc/75/32/72/706753272.db2.gz FAFJGSJSKNOQLF-ROUUACIJSA-N 1 2 326.444 1.995 20 30 EDEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001032455990 703633606 /nfs/dbraw/zinc/63/36/06/703633606.db2.gz HECXHJOGKGNTFV-XDQVBPFNSA-N 1 2 330.350 1.795 20 30 EDEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001032455990 703633608 /nfs/dbraw/zinc/63/36/08/703633608.db2.gz HECXHJOGKGNTFV-XDQVBPFNSA-N 1 2 330.350 1.795 20 30 EDEDLO CCc1nn(C)cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1 ZINC001032464625 703646298 /nfs/dbraw/zinc/64/62/98/703646298.db2.gz QQBZGAVSKDRWCV-IRXDYDNUSA-N 1 2 349.438 1.953 20 30 EDEDLO CCc1nn(C)cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1 ZINC001032464625 703646300 /nfs/dbraw/zinc/64/63/00/703646300.db2.gz QQBZGAVSKDRWCV-IRXDYDNUSA-N 1 2 349.438 1.953 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001004224263 704032340 /nfs/dbraw/zinc/03/23/40/704032340.db2.gz JFCIVNONWAOQNJ-AWEZNQCLSA-N 1 2 342.443 1.761 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001004224264 704032577 /nfs/dbraw/zinc/03/25/77/704032577.db2.gz JFCIVNONWAOQNJ-CQSZACIVSA-N 1 2 342.443 1.761 20 30 EDEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCC#N ZINC000449284635 704173417 /nfs/dbraw/zinc/17/34/17/704173417.db2.gz BQUHALMQEKEBSQ-SNVBAGLBSA-N 1 2 340.221 1.966 20 30 EDEDLO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001033093779 704171332 /nfs/dbraw/zinc/17/13/32/704171332.db2.gz ODLTYOVURMWDPF-ZDUSSCGKSA-N 1 2 326.418 1.406 20 30 EDEDLO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2coc(S(C)(=O)=O)c2)C1 ZINC001033093779 704171334 /nfs/dbraw/zinc/17/13/34/704171334.db2.gz ODLTYOVURMWDPF-ZDUSSCGKSA-N 1 2 326.418 1.406 20 30 EDEDLO C#CC[C@H](CO)NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000922651820 704181572 /nfs/dbraw/zinc/18/15/72/704181572.db2.gz YBXGKYXSUKNSKS-GFCCVEGCSA-N 1 2 332.791 1.709 20 30 EDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC000944969853 704846188 /nfs/dbraw/zinc/84/61/88/704846188.db2.gz QGSJCECEQCXGEI-MGPQQGTHSA-N 1 2 341.415 1.124 20 30 EDEDLO C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC000944969853 704846194 /nfs/dbraw/zinc/84/61/94/704846194.db2.gz QGSJCECEQCXGEI-MGPQQGTHSA-N 1 2 341.415 1.124 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC000945029869 704957397 /nfs/dbraw/zinc/95/73/97/704957397.db2.gz CUCLOWQILSPYNS-ZDUSSCGKSA-N 1 2 343.431 1.298 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@]2(F)CCOC2)cc1 ZINC001032586152 705090213 /nfs/dbraw/zinc/09/02/13/705090213.db2.gz KVWQNGPIFWNCHQ-BQFCYCMXSA-N 1 2 329.375 1.472 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@]2(F)CCOC2)cc1 ZINC001032586152 705090218 /nfs/dbraw/zinc/09/02/18/705090218.db2.gz KVWQNGPIFWNCHQ-BQFCYCMXSA-N 1 2 329.375 1.472 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]Cc2nc(CC(F)(F)F)no2)C1 ZINC000998746716 706181999 /nfs/dbraw/zinc/18/19/99/706181999.db2.gz OSCWLQPBXRHRSX-VHSXEESVSA-N 1 2 345.325 1.415 20 30 EDEDLO C=C1CCC(C(=O)NC2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC000999108879 706536342 /nfs/dbraw/zinc/53/63/42/706536342.db2.gz WLDIGRGOWQSYOM-HNNXBMFYSA-N 1 2 342.443 1.519 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001033298518 707440818 /nfs/dbraw/zinc/44/08/18/707440818.db2.gz JDMWATZKXJKKBA-LBPRGKRZSA-N 1 2 349.822 1.230 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1 ZINC001033298518 707440822 /nfs/dbraw/zinc/44/08/22/707440822.db2.gz JDMWATZKXJKKBA-LBPRGKRZSA-N 1 2 349.822 1.230 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001033353869 707608726 /nfs/dbraw/zinc/60/87/26/707608726.db2.gz QZHILNWVEHFWEC-VXGBXAGGSA-N 1 2 344.253 1.049 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001033353869 707608728 /nfs/dbraw/zinc/60/87/28/707608728.db2.gz QZHILNWVEHFWEC-VXGBXAGGSA-N 1 2 344.253 1.049 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CNc2ncc(C#N)cc2F)C1 ZINC001060894161 707640695 /nfs/dbraw/zinc/64/06/95/707640695.db2.gz FMNHMXQPYNQJOV-LBPRGKRZSA-N 1 2 342.378 1.329 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001033390070 707761740 /nfs/dbraw/zinc/76/17/40/707761740.db2.gz ZGUINBYOTPPNGJ-FZMZJTMJSA-N 1 2 344.253 1.096 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001033390070 707761746 /nfs/dbraw/zinc/76/17/46/707761746.db2.gz ZGUINBYOTPPNGJ-FZMZJTMJSA-N 1 2 344.253 1.096 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033493497 707988430 /nfs/dbraw/zinc/98/84/30/707988430.db2.gz FEKZZLYLIBTTGD-ULQDDVLXSA-N 1 2 332.448 1.434 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033493497 707988434 /nfs/dbraw/zinc/98/84/34/707988434.db2.gz FEKZZLYLIBTTGD-ULQDDVLXSA-N 1 2 332.448 1.434 20 30 EDEDLO C=CCCn1cc(C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)C2)nn1 ZINC001061004524 708150791 /nfs/dbraw/zinc/15/07/91/708150791.db2.gz PMSVSVVTCCAJQR-AWEZNQCLSA-N 1 2 341.419 1.527 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001033580392 708260931 /nfs/dbraw/zinc/26/09/31/708260931.db2.gz ZSFWBBVHKNYNIO-CQSZACIVSA-N 1 2 349.866 1.976 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC001033580392 708260934 /nfs/dbraw/zinc/26/09/34/708260934.db2.gz ZSFWBBVHKNYNIO-CQSZACIVSA-N 1 2 349.866 1.976 20 30 EDEDLO C=C(C)CCC(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001061025313 708315855 /nfs/dbraw/zinc/31/58/55/708315855.db2.gz UNRVYVIEMYCDTP-UHFFFAOYSA-N 1 2 330.432 1.760 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC(CNC(=O)c3ncn[nH]3)CC2)c(F)c1 ZINC001001952750 708454084 /nfs/dbraw/zinc/45/40/84/708454084.db2.gz IWMOJCJDQHHKKV-UHFFFAOYSA-N 1 2 342.378 1.457 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC(CNC(=O)c3nc[nH]n3)CC2)c(F)c1 ZINC001001952750 708454086 /nfs/dbraw/zinc/45/40/86/708454086.db2.gz IWMOJCJDQHHKKV-UHFFFAOYSA-N 1 2 342.378 1.457 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033784918 708693279 /nfs/dbraw/zinc/69/32/79/708693279.db2.gz FAZWEVYLMNPFMA-AWEZNQCLSA-N 1 2 327.388 1.919 20 30 EDEDLO CCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033784918 708693280 /nfs/dbraw/zinc/69/32/80/708693280.db2.gz FAZWEVYLMNPFMA-AWEZNQCLSA-N 1 2 327.388 1.919 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001033887411 708996142 /nfs/dbraw/zinc/99/61/42/708996142.db2.gz AJQYHLRJYQESNG-ZIAGYGMSSA-N 1 2 342.871 1.452 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001033887411 708996145 /nfs/dbraw/zinc/99/61/45/708996145.db2.gz AJQYHLRJYQESNG-ZIAGYGMSSA-N 1 2 342.871 1.452 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(OC)n(C)n2)C1 ZINC001033891822 709005973 /nfs/dbraw/zinc/00/59/73/709005973.db2.gz GWRQGKMWIYJZAE-LBPRGKRZSA-N 1 2 326.828 1.718 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(OC)n(C)n2)C1 ZINC001033891822 709005977 /nfs/dbraw/zinc/00/59/77/709005977.db2.gz GWRQGKMWIYJZAE-LBPRGKRZSA-N 1 2 326.828 1.718 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)C[C@@H]2CCOC2)CC1 ZINC001002511994 709059520 /nfs/dbraw/zinc/05/95/20/709059520.db2.gz SMDMIXGYHZUKFA-LBPRGKRZSA-N 1 2 331.254 1.902 20 30 EDEDLO Cc1noc([C@H](C)[NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)n1 ZINC001002631449 709190257 /nfs/dbraw/zinc/19/02/57/709190257.db2.gz GXBCKXXBFOXKLU-JTQLQIEISA-N 1 2 328.376 1.533 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2nn(CC)nc2C)C1 ZINC001034054175 709284032 /nfs/dbraw/zinc/28/40/32/709284032.db2.gz JIGUYCWLSZGECA-CYBMUJFWSA-N 1 2 325.844 1.895 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nn(CC)nc2C)C1 ZINC001034054175 709284033 /nfs/dbraw/zinc/28/40/33/709284033.db2.gz JIGUYCWLSZGECA-CYBMUJFWSA-N 1 2 325.844 1.895 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001002782415 709388122 /nfs/dbraw/zinc/38/81/22/709388122.db2.gz QPMZARJQMIDDLS-HNNXBMFYSA-N 1 2 342.443 1.376 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2nccc(C)n2)CC1 ZINC001002849148 709458661 /nfs/dbraw/zinc/45/86/61/709458661.db2.gz QMXIDCVWCHZCMQ-SJORKVTESA-N 1 2 344.459 1.847 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(OC)n(C)n2)C1 ZINC001034298502 709732626 /nfs/dbraw/zinc/73/26/26/709732626.db2.gz CHPHSDXILSIGIR-GFCCVEGCSA-N 1 2 326.828 1.766 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(OC)n(C)n2)C1 ZINC001034298502 709732629 /nfs/dbraw/zinc/73/26/29/709732629.db2.gz CHPHSDXILSIGIR-GFCCVEGCSA-N 1 2 326.828 1.766 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)c2cncn2C)C1 ZINC001034298554 709732965 /nfs/dbraw/zinc/73/29/65/709732965.db2.gz YLSKKCZGTGGMRT-GFCCVEGCSA-N 1 2 341.253 1.913 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)c2cncn2C)C1 ZINC001034298554 709732967 /nfs/dbraw/zinc/73/29/67/709732967.db2.gz YLSKKCZGTGGMRT-GFCCVEGCSA-N 1 2 341.253 1.913 20 30 EDEDLO Cc1cc(N(C)[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c(C#N)cn1 ZINC001061272449 710385484 /nfs/dbraw/zinc/38/54/84/710385484.db2.gz YUCUJFBNIYFHIH-INIZCTEOSA-N 1 2 338.415 1.655 20 30 EDEDLO C#Cc1cncc(C(=O)NC2CC[NH+](Cc3cnns3)CC2)c1 ZINC001003598959 710435422 /nfs/dbraw/zinc/43/54/22/710435422.db2.gz QVRKUGXUUQBMPU-UHFFFAOYSA-N 1 2 327.413 1.309 20 30 EDEDLO CN(C(=O)c1cnccn1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032884301 710585084 /nfs/dbraw/zinc/58/50/84/710585084.db2.gz NPQJTIRCOLOWEW-HNNXBMFYSA-N 1 2 339.374 1.834 20 30 EDEDLO CN(C(=O)c1cnccn1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001032884301 710585085 /nfs/dbraw/zinc/58/50/85/710585085.db2.gz NPQJTIRCOLOWEW-HNNXBMFYSA-N 1 2 339.374 1.834 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3nccc(C)n3)CC2)nc1 ZINC001004003120 711241477 /nfs/dbraw/zinc/24/14/77/711241477.db2.gz HFEXVMPGJWDJCI-UHFFFAOYSA-N 1 2 335.411 1.556 20 30 EDEDLO CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)n1 ZINC001034909610 711336547 /nfs/dbraw/zinc/33/65/47/711336547.db2.gz NOCCXDSSGDWHNN-GFCCVEGCSA-N 1 2 328.376 1.226 20 30 EDEDLO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)on1 ZINC001033027576 711442377 /nfs/dbraw/zinc/44/23/77/711442377.db2.gz ZIXPWEIUDRHYOX-OAHLLOKOSA-N 1 2 340.383 1.901 20 30 EDEDLO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)on1 ZINC001033027576 711442379 /nfs/dbraw/zinc/44/23/79/711442379.db2.gz ZIXPWEIUDRHYOX-OAHLLOKOSA-N 1 2 340.383 1.901 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)C2CCC(O)CC2)C1 ZINC001033038206 711506640 /nfs/dbraw/zinc/50/66/40/711506640.db2.gz OUYOMUYGSOWGSO-ROKHWSDSSA-N 1 2 345.281 1.979 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC(O)CC2)C1 ZINC001033038206 711506642 /nfs/dbraw/zinc/50/66/42/711506642.db2.gz OUYOMUYGSOWGSO-ROKHWSDSSA-N 1 2 345.281 1.979 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCn3nccc32)CC1 ZINC001004471575 711847804 /nfs/dbraw/zinc/84/78/04/711847804.db2.gz AQVSJEZCZKLQSR-IRXDYDNUSA-N 1 2 341.459 1.987 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCn3nccc32)CC1 ZINC001004471575 711847808 /nfs/dbraw/zinc/84/78/08/711847808.db2.gz AQVSJEZCZKLQSR-IRXDYDNUSA-N 1 2 341.459 1.987 20 30 EDEDLO Cc1nc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)c(=O)[nH]c1C ZINC001004471754 711848270 /nfs/dbraw/zinc/84/82/70/711848270.db2.gz YTZKIHDXINEGMO-HNNXBMFYSA-N 1 2 343.431 1.227 20 30 EDEDLO Cc1nc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)c(=O)[nH]c1C ZINC001004471754 711848272 /nfs/dbraw/zinc/84/82/72/711848272.db2.gz YTZKIHDXINEGMO-HNNXBMFYSA-N 1 2 343.431 1.227 20 30 EDEDLO CCOc1cc(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)on1 ZINC001004489792 711869098 /nfs/dbraw/zinc/86/90/98/711869098.db2.gz NVKJVXLAESAOPR-CQSZACIVSA-N 1 2 332.404 1.913 20 30 EDEDLO CCOc1cc(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)on1 ZINC001004489792 711869099 /nfs/dbraw/zinc/86/90/99/711869099.db2.gz NVKJVXLAESAOPR-CQSZACIVSA-N 1 2 332.404 1.913 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001033128072 711878931 /nfs/dbraw/zinc/87/89/31/711878931.db2.gz HZHQSRUKQVSXQZ-ZIAGYGMSSA-N 1 2 341.883 1.919 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC001033128072 711878932 /nfs/dbraw/zinc/87/89/32/711878932.db2.gz HZHQSRUKQVSXQZ-ZIAGYGMSSA-N 1 2 341.883 1.919 20 30 EDEDLO Cc1nn(C)c(C)c1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004501458 711901793 /nfs/dbraw/zinc/90/17/93/711901793.db2.gz RMMOVNGXTIVASQ-MRXNPFEDSA-N 1 2 329.448 1.877 20 30 EDEDLO Cc1nn(C)c(C)c1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004501458 711901795 /nfs/dbraw/zinc/90/17/95/711901795.db2.gz RMMOVNGXTIVASQ-MRXNPFEDSA-N 1 2 329.448 1.877 20 30 EDEDLO N#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946651879 712200943 /nfs/dbraw/zinc/20/09/43/712200943.db2.gz HHYHNTQRIDXBCG-XHSDSOJGSA-N 1 2 327.432 1.139 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001033178834 712331186 /nfs/dbraw/zinc/33/11/86/712331186.db2.gz ARDFAPHIOIWZBF-LBPRGKRZSA-N 1 2 334.811 1.332 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001033178834 712331189 /nfs/dbraw/zinc/33/11/89/712331189.db2.gz ARDFAPHIOIWZBF-LBPRGKRZSA-N 1 2 334.811 1.332 20 30 EDEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CCCC#N)CC1 ZINC000053424401 214182241 /nfs/dbraw/zinc/18/22/41/214182241.db2.gz XAYPGVLDBQZQAQ-UHFFFAOYSA-N 1 2 326.422 1.292 20 30 EDEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CCCC#N)CC1 ZINC000053424401 214182246 /nfs/dbraw/zinc/18/22/46/214182246.db2.gz XAYPGVLDBQZQAQ-UHFFFAOYSA-N 1 2 326.422 1.292 20 30 EDEDLO N#Cc1nccc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)n1 ZINC000558520971 306239063 /nfs/dbraw/zinc/23/90/63/306239063.db2.gz SLYIFNQLDAWMAY-UHFFFAOYSA-N 1 2 336.399 1.285 20 30 EDEDLO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)C1 ZINC000174432648 529787779 /nfs/dbraw/zinc/78/77/79/529787779.db2.gz PDMVJWNRIOYCRO-STQMWFEESA-N 1 2 338.205 1.461 20 30 EDEDLO C[N@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)C1 ZINC000174432648 529787781 /nfs/dbraw/zinc/78/77/81/529787781.db2.gz PDMVJWNRIOYCRO-STQMWFEESA-N 1 2 338.205 1.461 20 30 EDEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1nnc2n1CCCC2 ZINC000328640082 539340453 /nfs/dbraw/zinc/34/04/53/539340453.db2.gz CKLWHZMHFXCSRD-UHFFFAOYSA-N 1 2 343.435 1.394 20 30 EDEDLO CC1CCN(c2ccc(CNC(=O)NC[C@@H]3COCCO3)c[nH+]2)CC1 ZINC000328869349 539373911 /nfs/dbraw/zinc/37/39/11/539373911.db2.gz PDTAQXLCUUPZSS-MRXNPFEDSA-N 1 2 348.447 1.737 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000329054033 539401243 /nfs/dbraw/zinc/40/12/43/539401243.db2.gz AMGNVWJFFNQJLZ-ZIAGYGMSSA-N 1 2 331.424 1.942 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000329054033 539401248 /nfs/dbraw/zinc/40/12/48/539401248.db2.gz AMGNVWJFFNQJLZ-ZIAGYGMSSA-N 1 2 331.424 1.942 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000329054029 539401306 /nfs/dbraw/zinc/40/13/06/539401306.db2.gz AMGNVWJFFNQJLZ-KGLIPLIRSA-N 1 2 331.424 1.942 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000329054029 539401313 /nfs/dbraw/zinc/40/13/13/539401313.db2.gz AMGNVWJFFNQJLZ-KGLIPLIRSA-N 1 2 331.424 1.942 20 30 EDEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)N1CC[C@H]2CCC[C@H]21 ZINC000330265935 539542434 /nfs/dbraw/zinc/54/24/34/539542434.db2.gz ZYBUWJAWQYQAJV-GDBMZVCRSA-N 1 2 333.436 1.635 20 30 EDEDLO C=C[C@H](CC(=O)N(CCO)CC[NH+]1CCOCC1)c1ccccc1 ZINC000340263884 539724114 /nfs/dbraw/zinc/72/41/14/539724114.db2.gz AFLKTBFSFAUEMF-QGZVFWFLSA-N 1 2 332.444 1.499 20 30 EDEDLO N#Cc1ccc(CN2CCC[N@@H+](CC(=O)NCC3CCC3)CC2)cc1 ZINC000066491831 138178139 /nfs/dbraw/zinc/17/81/39/138178139.db2.gz JGFPZPDYNXXOQO-UHFFFAOYSA-N 1 2 340.471 1.982 20 30 EDEDLO N#Cc1ccc(CN2CCC[N@H+](CC(=O)NCC3CCC3)CC2)cc1 ZINC000066491831 138178142 /nfs/dbraw/zinc/17/81/42/138178142.db2.gz JGFPZPDYNXXOQO-UHFFFAOYSA-N 1 2 340.471 1.982 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121361430 138317521 /nfs/dbraw/zinc/31/75/21/138317521.db2.gz UVUINSMBJPTXFW-AWEZNQCLSA-N 1 2 340.427 1.830 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121361430 138317522 /nfs/dbraw/zinc/31/75/22/138317522.db2.gz UVUINSMBJPTXFW-AWEZNQCLSA-N 1 2 340.427 1.830 20 30 EDEDLO C[NH+](C)CCCNC(=O)C[C@H]1S/C(=N/c2ccccc2)NC1=O ZINC000174892171 237291358 /nfs/dbraw/zinc/29/13/58/237291358.db2.gz LVRNONLRRPIUGF-CYBMUJFWSA-N 1 2 334.445 1.364 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc(C#N)n1)C(C)(C)CO ZINC000564942024 306370760 /nfs/dbraw/zinc/37/07/60/306370760.db2.gz GPPWNGVTNYETIL-ZDUSSCGKSA-N 1 2 328.376 1.568 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000264101659 249336090 /nfs/dbraw/zinc/33/60/90/249336090.db2.gz LDEOIVNBDHAELY-UHFFFAOYSA-N 1 2 335.411 1.015 20 30 EDEDLO COCC(=O)NC1C[NH+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000297518850 249767967 /nfs/dbraw/zinc/76/79/67/249767967.db2.gz YAGWAIJCDOFWLD-UHFFFAOYSA-N 1 2 347.415 1.325 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000344145189 250015816 /nfs/dbraw/zinc/01/58/16/250015816.db2.gz VUSAFOVKZOOZSG-RDJZCZTQSA-N 1 2 335.400 1.029 20 30 EDEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000344145189 250015818 /nfs/dbraw/zinc/01/58/18/250015818.db2.gz VUSAFOVKZOOZSG-RDJZCZTQSA-N 1 2 335.400 1.029 20 30 EDEDLO C=CC[C@@H](CO)CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000341867303 250002606 /nfs/dbraw/zinc/00/26/06/250002606.db2.gz JYVCUBZAZIAHHW-GOEBONIOSA-N 1 2 348.447 1.291 20 30 EDEDLO N#CC1(NC(=O)C[NH+]2CCN(c3ccc(Cl)cn3)CC2)CCC1 ZINC000346837511 250046811 /nfs/dbraw/zinc/04/68/11/250046811.db2.gz OUXHTGAQMDCYBZ-UHFFFAOYSA-N 1 2 333.823 1.419 20 30 EDEDLO CC[C@](C)(C#N)C(=O)N(C)C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000354952424 250102850 /nfs/dbraw/zinc/10/28/50/250102850.db2.gz ZSEKTMZUEDEINN-BFYDXBDKSA-N 1 2 335.427 1.731 20 30 EDEDLO CC[C@](C)(C#N)C(=O)N(C)C[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000354952424 250102855 /nfs/dbraw/zinc/10/28/55/250102855.db2.gz ZSEKTMZUEDEINN-BFYDXBDKSA-N 1 2 335.427 1.731 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C(=O)OCC)c2ccccc2)CC1 ZINC000358795255 250144760 /nfs/dbraw/zinc/14/47/60/250144760.db2.gz JSMKCILCFSXCRT-GOSISDBHSA-N 1 2 345.443 1.211 20 30 EDEDLO C=CCCCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000373501030 250240659 /nfs/dbraw/zinc/24/06/59/250240659.db2.gz MPJFDBFNGGLQPM-KRWDZBQOSA-N 1 2 325.453 1.523 20 30 EDEDLO N#CC[C@H](CC(=O)N1CCC[N@@H+](CC(N)=O)CC1)c1ccccc1 ZINC000373498988 250240862 /nfs/dbraw/zinc/24/08/62/250240862.db2.gz UGBCXADCBAHZOS-MRXNPFEDSA-N 1 2 328.416 1.094 20 30 EDEDLO N#CC[C@H](CC(=O)N1CCC[N@H+](CC(N)=O)CC1)c1ccccc1 ZINC000373498988 250240866 /nfs/dbraw/zinc/24/08/66/250240866.db2.gz UGBCXADCBAHZOS-MRXNPFEDSA-N 1 2 328.416 1.094 20 30 EDEDLO Cn1cc[nH+]c1CN1CCCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000374015256 250249782 /nfs/dbraw/zinc/24/97/82/250249782.db2.gz UFKUPJVSVSXBGN-UHFFFAOYSA-N 1 2 330.436 1.331 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CCCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000374015256 250249786 /nfs/dbraw/zinc/24/97/86/250249786.db2.gz UFKUPJVSVSXBGN-UHFFFAOYSA-N 1 2 330.436 1.331 20 30 EDEDLO Cn1ccnc1C[N@H+]1CCCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000374015256 250249790 /nfs/dbraw/zinc/24/97/90/250249790.db2.gz UFKUPJVSVSXBGN-UHFFFAOYSA-N 1 2 330.436 1.331 20 30 EDEDLO C=CCn1cc(C[NH2+]Cc2cc3c(cc2OCCOC)OCO3)nn1 ZINC000424167064 252151166 /nfs/dbraw/zinc/15/11/66/252151166.db2.gz BTGFBDYFAIEVHX-UHFFFAOYSA-N 1 2 346.387 1.508 20 30 EDEDLO C=CCCn1cc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)nn1 ZINC000424804255 252276955 /nfs/dbraw/zinc/27/69/55/252276955.db2.gz OYIWLYDHRMSXPY-HNNXBMFYSA-N 1 2 333.436 1.037 20 30 EDEDLO C=CCCn1cc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)nn1 ZINC000424804255 252276959 /nfs/dbraw/zinc/27/69/59/252276959.db2.gz OYIWLYDHRMSXPY-HNNXBMFYSA-N 1 2 333.436 1.037 20 30 EDEDLO Cc1cc(NCCN(C)S(=O)(=O)c2cccs2)c(C#N)c[nH+]1 ZINC000425228459 252302898 /nfs/dbraw/zinc/30/28/98/252302898.db2.gz BDWZRDYBWGVFPT-UHFFFAOYSA-N 1 2 336.442 1.478 20 30 EDEDLO C=CCSc1ccccc1C(=O)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000425295886 252304240 /nfs/dbraw/zinc/30/42/40/252304240.db2.gz QQDCIKNTHLDYBH-CQSZACIVSA-N 1 2 336.457 1.388 20 30 EDEDLO N#Cc1cnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000263772956 139359393 /nfs/dbraw/zinc/35/93/93/139359393.db2.gz KHXRDKFBIJOTBK-UHFFFAOYSA-N 1 2 347.850 1.741 20 30 EDEDLO N#Cc1cnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000263772956 139359394 /nfs/dbraw/zinc/35/93/94/139359394.db2.gz KHXRDKFBIJOTBK-UHFFFAOYSA-N 1 2 347.850 1.741 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](c3ccccc3)OC[C@H]2C)CC1 ZINC000490741493 255104143 /nfs/dbraw/zinc/10/41/43/255104143.db2.gz SCGWYVHPVGXZMB-MJGOQNOKSA-N 1 2 341.455 1.226 20 30 EDEDLO C#CCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(OC(F)F)c(OC)c1 ZINC000490779266 255106845 /nfs/dbraw/zinc/10/68/45/255106845.db2.gz UPFJSSPCXWDYFF-VIFPVBQESA-N 1 2 341.314 1.281 20 30 EDEDLO CC(C)(CNC(=O)/C=C\c1ccc(C#N)cc1)[NH+]1CCS(=O)CC1 ZINC000491840894 255151677 /nfs/dbraw/zinc/15/16/77/255151677.db2.gz ZYSASILIHMSJRB-FPLPWBNLSA-N 1 2 345.468 1.531 20 30 EDEDLO CC[N@H+](Cc1nc(CC(=O)NC)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000494481630 255252123 /nfs/dbraw/zinc/25/21/23/255252123.db2.gz HSYNYZDWNMDIOW-LBPRGKRZSA-N 1 2 327.388 1.813 20 30 EDEDLO CC[N@@H+](Cc1nc(CC(=O)NC)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000494481630 255252124 /nfs/dbraw/zinc/25/21/24/255252124.db2.gz HSYNYZDWNMDIOW-LBPRGKRZSA-N 1 2 327.388 1.813 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1nncn1C ZINC000494789420 255261705 /nfs/dbraw/zinc/26/17/05/255261705.db2.gz AWKRGWUIAJWFBN-ZJUUUORDSA-N 1 2 344.444 1.915 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3Cc4ccccc4C[C@H]3C(N)=O)n2c1 ZINC000119784951 221399619 /nfs/dbraw/zinc/39/96/19/221399619.db2.gz HGFYCJBXQRAWBL-KRWDZBQOSA-N 1 2 331.379 1.618 20 30 EDEDLO COCC1(C#N)CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000341991773 269725778 /nfs/dbraw/zinc/72/57/78/269725778.db2.gz LZYVOIKWYAWJDR-KRWDZBQOSA-N 1 2 338.411 1.916 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000176998467 533243153 /nfs/dbraw/zinc/24/31/53/533243153.db2.gz DVHBSRXKFWQHNO-HNNXBMFYSA-N 1 2 345.874 1.976 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](c3nnc[nH]3)C2)C1=O ZINC000333330415 141300719 /nfs/dbraw/zinc/30/07/19/141300719.db2.gz RDLFTSIPMXXCGJ-QWHCGFSZSA-N 1 2 342.428 1.723 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](c3nnc[nH]3)C2)C1=O ZINC000333330415 141300721 /nfs/dbraw/zinc/30/07/21/141300721.db2.gz RDLFTSIPMXXCGJ-QWHCGFSZSA-N 1 2 342.428 1.723 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000339849754 142177177 /nfs/dbraw/zinc/17/71/77/142177177.db2.gz NKPNDOPIUWXUMJ-UHFFFAOYSA-N 1 2 348.366 1.366 20 30 EDEDLO Cc1ccn2cc(CNC(=O)C(=O)Nc3sccc3C#N)[nH+]c2c1 ZINC000339947359 142209077 /nfs/dbraw/zinc/20/90/77/142209077.db2.gz ZIGPVYZUEQJKLB-UHFFFAOYSA-N 1 2 339.380 1.831 20 30 EDEDLO CCn1c2ccc(F)cc2[nH+]c1Cn1c(=O)c(C#N)cn(CC)c1=O ZINC000339996093 142228676 /nfs/dbraw/zinc/22/86/76/142228676.db2.gz KELFCUMNXWZHTH-UHFFFAOYSA-N 1 2 341.346 1.459 20 30 EDEDLO C[C@H](c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1)n1cnc(C#N)n1 ZINC000346902154 143258441 /nfs/dbraw/zinc/25/84/41/143258441.db2.gz SVJXYCBJDAWGRN-WOPDTQHZSA-N 1 2 329.364 1.068 20 30 EDEDLO C[C@H](c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1)n1cnc(C#N)n1 ZINC000346902154 143258442 /nfs/dbraw/zinc/25/84/42/143258442.db2.gz SVJXYCBJDAWGRN-WOPDTQHZSA-N 1 2 329.364 1.068 20 30 EDEDLO C[S@](=O)C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000347681494 143348941 /nfs/dbraw/zinc/34/89/41/143348941.db2.gz WYJTYLYKPLVSPU-KCYKTTMJSA-N 1 2 341.436 1.794 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@@]1=O ZINC000352618319 149087970 /nfs/dbraw/zinc/08/79/70/149087970.db2.gz OUVMSRARUSGNRW-ZLOXQWCVSA-N 1 2 328.441 1.912 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[S@@]1=O ZINC000352618319 149087971 /nfs/dbraw/zinc/08/79/71/149087971.db2.gz OUVMSRARUSGNRW-ZLOXQWCVSA-N 1 2 328.441 1.912 20 30 EDEDLO N#Cc1cccc(OCC[NH+]2CCN([C@H]3CCCCNC3=O)CC2)c1 ZINC000369907607 155226175 /nfs/dbraw/zinc/22/61/75/155226175.db2.gz ZQYIPFFNRLGPHT-SFHVURJKSA-N 1 2 342.443 1.223 20 30 EDEDLO COC(=O)[C@H]1C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1(C)C ZINC000370228217 155389136 /nfs/dbraw/zinc/38/91/36/155389136.db2.gz UDJOLXWQQPGLAN-OLZOCXBDSA-N 1 2 347.440 1.856 20 30 EDEDLO COC(=O)[C@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1(C)C ZINC000370228217 155389137 /nfs/dbraw/zinc/38/91/37/155389137.db2.gz UDJOLXWQQPGLAN-OLZOCXBDSA-N 1 2 347.440 1.856 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367142019 154020586 /nfs/dbraw/zinc/02/05/86/154020586.db2.gz SUJVUXLOYJEIGL-JKSUJKDBSA-N 1 2 349.456 1.398 20 30 EDEDLO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367142019 154020590 /nfs/dbraw/zinc/02/05/90/154020590.db2.gz SUJVUXLOYJEIGL-JKSUJKDBSA-N 1 2 349.456 1.398 20 30 EDEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000367150999 154024173 /nfs/dbraw/zinc/02/41/73/154024173.db2.gz LBZPFOLYKDZBMY-CQSZACIVSA-N 1 2 325.409 1.553 20 30 EDEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000367150999 154024176 /nfs/dbraw/zinc/02/41/76/154024176.db2.gz LBZPFOLYKDZBMY-CQSZACIVSA-N 1 2 325.409 1.553 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)COCC(F)(F)F)CCO2)c1 ZINC000367779250 154267846 /nfs/dbraw/zinc/26/78/46/154267846.db2.gz NAAQCSWAUMMOSM-CABCVRRESA-N 1 2 344.333 1.871 20 30 EDEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)COCC(F)(F)F)CCO2)c1 ZINC000367779250 154267849 /nfs/dbraw/zinc/26/78/49/154267849.db2.gz NAAQCSWAUMMOSM-CABCVRRESA-N 1 2 344.333 1.871 20 30 EDEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000372176296 156258461 /nfs/dbraw/zinc/25/84/61/156258461.db2.gz QYKRBYQFPOLBJR-KRWDZBQOSA-N 1 2 337.427 1.917 20 30 EDEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000372176296 156258463 /nfs/dbraw/zinc/25/84/63/156258463.db2.gz QYKRBYQFPOLBJR-KRWDZBQOSA-N 1 2 337.427 1.917 20 30 EDEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000408459040 158366958 /nfs/dbraw/zinc/36/69/58/158366958.db2.gz HICRPKBUTXIQEY-NWDGAFQWSA-N 1 2 325.409 1.552 20 30 EDEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000408459040 158366961 /nfs/dbraw/zinc/36/69/61/158366961.db2.gz HICRPKBUTXIQEY-NWDGAFQWSA-N 1 2 325.409 1.552 20 30 EDEDLO CCCCOCCNC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355092593 162267998 /nfs/dbraw/zinc/26/79/98/162267998.db2.gz CIKGQMVXXKARQT-UHFFFAOYSA-N 1 2 345.447 1.008 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000366576610 287187843 /nfs/dbraw/zinc/18/78/43/287187843.db2.gz PPDIEBIQEBLLHJ-VQIMIIECSA-N 1 2 349.475 1.989 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000366576610 287187844 /nfs/dbraw/zinc/18/78/44/287187844.db2.gz PPDIEBIQEBLLHJ-VQIMIIECSA-N 1 2 349.475 1.989 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1C#N ZINC000534471786 270016307 /nfs/dbraw/zinc/01/63/07/270016307.db2.gz BUBPORXYDLQWKY-CQSZACIVSA-N 1 2 328.290 1.844 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1C#N ZINC000534471786 270016308 /nfs/dbraw/zinc/01/63/08/270016308.db2.gz BUBPORXYDLQWKY-CQSZACIVSA-N 1 2 328.290 1.844 20 30 EDEDLO CCNc1nc(NC(C)(C)C)nc(NCCn2cnc(C#N)n2)[nH+]1 ZINC000286331848 266173296 /nfs/dbraw/zinc/17/32/96/266173296.db2.gz KIXIZWQFCIWRBN-UHFFFAOYSA-N 1 2 330.400 1.089 20 30 EDEDLO CCNc1nc(NCCn2cnc(C#N)n2)nc(NC(C)(C)C)[nH+]1 ZINC000286331848 266173300 /nfs/dbraw/zinc/17/33/00/266173300.db2.gz KIXIZWQFCIWRBN-UHFFFAOYSA-N 1 2 330.400 1.089 20 30 EDEDLO CCNc1nc(NCCn2cnc(C#N)n2)[nH+]c(NC(C)(C)C)n1 ZINC000286331848 266173303 /nfs/dbraw/zinc/17/33/03/266173303.db2.gz KIXIZWQFCIWRBN-UHFFFAOYSA-N 1 2 330.400 1.089 20 30 EDEDLO CCOC(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000298213797 266259484 /nfs/dbraw/zinc/25/94/84/266259484.db2.gz YCHBLHFZJHYQAM-HNNXBMFYSA-N 1 2 333.388 1.072 20 30 EDEDLO C[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000293058352 267041791 /nfs/dbraw/zinc/04/17/91/267041791.db2.gz ALSUJSFKWJEKKE-RDTXWAMCSA-N 1 2 342.443 1.417 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296679118 267140651 /nfs/dbraw/zinc/14/06/51/267140651.db2.gz LGNDNQLXTRCALX-OCCSQVGLSA-N 1 2 330.388 1.658 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296679118 267140654 /nfs/dbraw/zinc/14/06/54/267140654.db2.gz LGNDNQLXTRCALX-OCCSQVGLSA-N 1 2 330.388 1.658 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc(C#N)cc1Cl ZINC000528132716 267330593 /nfs/dbraw/zinc/33/05/93/267330593.db2.gz NKNSEORUGYPXIU-INIZCTEOSA-N 1 2 336.823 1.634 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc(C#N)cc1Cl ZINC000528132716 267330595 /nfs/dbraw/zinc/33/05/95/267330595.db2.gz NKNSEORUGYPXIU-INIZCTEOSA-N 1 2 336.823 1.634 20 30 EDEDLO Cc1cc(N2CCN(c3cc(C)[nH+]c(C)c3C#N)CC2)n2ncnc2n1 ZINC000301751480 267339702 /nfs/dbraw/zinc/33/97/02/267339702.db2.gz AZRGFHROXWFDMD-UHFFFAOYSA-N 1 2 348.414 1.643 20 30 EDEDLO Cc1sc(NC(=O)C[NH2+][C@@H](CO)c2cnn(C)c2)c(C#N)c1C ZINC000274138943 268108639 /nfs/dbraw/zinc/10/86/39/268108639.db2.gz XBYNDBKHGDGHJW-ZDUSSCGKSA-N 1 2 333.417 1.232 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413036057 268135603 /nfs/dbraw/zinc/13/56/03/268135603.db2.gz DNBMIXQXTHSJQP-UHFFFAOYSA-N 1 2 338.350 1.096 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000515655887 268220416 /nfs/dbraw/zinc/22/04/16/268220416.db2.gz UTEDLBZUUMWTST-OIISXLGYSA-N 1 2 331.372 1.828 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000515655887 268220417 /nfs/dbraw/zinc/22/04/17/268220417.db2.gz UTEDLBZUUMWTST-OIISXLGYSA-N 1 2 331.372 1.828 20 30 EDEDLO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H](O)C(F)(F)F ZINC000275072052 268275241 /nfs/dbraw/zinc/27/52/41/268275241.db2.gz WVPUFVBPMFQJNI-ZDUSSCGKSA-N 1 2 329.322 1.420 20 30 EDEDLO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H](O)C(F)(F)F ZINC000275072052 268275243 /nfs/dbraw/zinc/27/52/43/268275243.db2.gz WVPUFVBPMFQJNI-ZDUSSCGKSA-N 1 2 329.322 1.420 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](N3CCCC3=O)C2)C1=O ZINC000299733517 268304469 /nfs/dbraw/zinc/30/44/69/268304469.db2.gz YRVCOBOELOXHHS-ZIAGYGMSSA-N 1 2 344.440 1.422 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](N3CCCC3=O)C2)C1=O ZINC000299733517 268304471 /nfs/dbraw/zinc/30/44/71/268304471.db2.gz YRVCOBOELOXHHS-ZIAGYGMSSA-N 1 2 344.440 1.422 20 30 EDEDLO N#CCC1(CS(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000333451775 303148941 /nfs/dbraw/zinc/14/89/41/303148941.db2.gz RXDDXKCQCRSPQA-HNNXBMFYSA-N 1 2 341.477 1.197 20 30 EDEDLO Cn1cc(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000548843366 306139871 /nfs/dbraw/zinc/13/98/71/306139871.db2.gz VLDCIMSAJMJCLA-UHFFFAOYSA-N 1 2 339.399 1.015 20 30 EDEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000556677001 306213559 /nfs/dbraw/zinc/21/35/59/306213559.db2.gz IUPUOUDQLSYUPA-CQSZACIVSA-N 1 2 340.452 1.811 20 30 EDEDLO N#CCc1cccc(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1 ZINC000377946196 447391202 /nfs/dbraw/zinc/39/12/02/447391202.db2.gz BPGKYCTXCIRCSS-QGZVFWFLSA-N 1 2 340.427 1.179 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)[C@]2(C#N)CCc3ccccc3C2)CCO1 ZINC000378447273 447428956 /nfs/dbraw/zinc/42/89/56/447428956.db2.gz AZZNOMOGSBFMTR-HXUWFJFHSA-N 1 2 341.455 1.912 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)[C@]2(C#N)CCc3ccccc3C2)CCO1 ZINC000378447273 447428963 /nfs/dbraw/zinc/42/89/63/447428963.db2.gz AZZNOMOGSBFMTR-HXUWFJFHSA-N 1 2 341.455 1.912 20 30 EDEDLO C#CC[NH+]1CCN(Cn2ncn(-c3ccccc3C)c2=S)CC1 ZINC000044756584 440884776 /nfs/dbraw/zinc/88/47/76/440884776.db2.gz MNBHFXYFNBPZHA-UHFFFAOYSA-N 1 2 327.457 1.920 20 30 EDEDLO N#Cc1cccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1Br ZINC000450187709 447434476 /nfs/dbraw/zinc/43/44/76/447434476.db2.gz PFJABNOTOCPIDY-LBPRGKRZSA-N 1 2 349.232 1.050 20 30 EDEDLO C=C[C@H]1CCCCN1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000494395375 447435060 /nfs/dbraw/zinc/43/50/60/447435060.db2.gz HJERUSORTORLOR-RDJZCZTQSA-N 1 2 339.505 1.944 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000046577542 441114885 /nfs/dbraw/zinc/11/48/85/441114885.db2.gz IHCJLCJLURNYIH-CYBMUJFWSA-N 1 2 345.403 1.503 20 30 EDEDLO CC1(C)NC(=O)N(CCC[N@H+](CCC#N)Cc2ccccn2)C1=O ZINC000081160187 441237334 /nfs/dbraw/zinc/23/73/34/441237334.db2.gz YZDSQNSNIMGEGW-UHFFFAOYSA-N 1 2 329.404 1.518 20 30 EDEDLO CC1(C)NC(=O)N(CCC[N@@H+](CCC#N)Cc2ccccn2)C1=O ZINC000081160187 441237339 /nfs/dbraw/zinc/23/73/39/441237339.db2.gz YZDSQNSNIMGEGW-UHFFFAOYSA-N 1 2 329.404 1.518 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104728593 441201823 /nfs/dbraw/zinc/20/18/23/441201823.db2.gz QBOBVAVQBPICTC-AWEZNQCLSA-N 1 2 340.427 1.972 20 30 EDEDLO CCC[N@H+](CC(=O)NC)CC(=O)Nc1ccccc1SCC#N ZINC000072635699 441243655 /nfs/dbraw/zinc/24/36/55/441243655.db2.gz JYYRAGFDSMTPFI-UHFFFAOYSA-N 1 2 334.445 1.699 20 30 EDEDLO CCC[N@@H+](CC(=O)NC)CC(=O)Nc1ccccc1SCC#N ZINC000072635699 441243656 /nfs/dbraw/zinc/24/36/56/441243656.db2.gz JYYRAGFDSMTPFI-UHFFFAOYSA-N 1 2 334.445 1.699 20 30 EDEDLO COCCOCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000063256568 441320848 /nfs/dbraw/zinc/32/08/48/441320848.db2.gz HMAGEOOGFFTBCQ-UHFFFAOYSA-N 1 2 331.416 1.256 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)O[C@@H](c3ccccc3)C2)CC1 ZINC000081668147 441300863 /nfs/dbraw/zinc/30/08/63/441300863.db2.gz IMIMLUVBHPJOOR-PKOBYXMFSA-N 1 2 341.455 1.226 20 30 EDEDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000106503929 441346619 /nfs/dbraw/zinc/34/66/19/441346619.db2.gz DSJOPRJXVHPAET-QGZVFWFLSA-N 1 2 327.432 1.802 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106870012 441382544 /nfs/dbraw/zinc/38/25/44/441382544.db2.gz TTWYEISPPJFQHT-SUMWQHHRSA-N 1 2 338.452 1.640 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106870012 441382549 /nfs/dbraw/zinc/38/25/49/441382549.db2.gz TTWYEISPPJFQHT-SUMWQHHRSA-N 1 2 338.452 1.640 20 30 EDEDLO COCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(C#N)cc1 ZINC000063754523 441349786 /nfs/dbraw/zinc/34/97/86/441349786.db2.gz YPYNKRQXOUGWMV-LJQANCHMSA-N 1 2 340.427 1.815 20 30 EDEDLO COCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(C#N)cc1 ZINC000063754523 441349791 /nfs/dbraw/zinc/34/97/91/441349791.db2.gz YPYNKRQXOUGWMV-LJQANCHMSA-N 1 2 340.427 1.815 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)NC(C)C)cc2)CC1 ZINC000085273665 441431388 /nfs/dbraw/zinc/43/13/88/441431388.db2.gz UMFHXHOINNICLI-UHFFFAOYSA-N 1 2 342.443 1.014 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000028973892 441442239 /nfs/dbraw/zinc/44/22/39/441442239.db2.gz ZTSUEYJEQKRKMN-UHFFFAOYSA-N 1 2 335.835 1.216 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000052834313 441478378 /nfs/dbraw/zinc/47/83/78/441478378.db2.gz AJKAAVAPUNOWHY-QGZVFWFLSA-N 1 2 327.428 1.750 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000052834313 441478381 /nfs/dbraw/zinc/47/83/81/441478381.db2.gz AJKAAVAPUNOWHY-QGZVFWFLSA-N 1 2 327.428 1.750 20 30 EDEDLO C#CCNC(=O)C[NH+]1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000029454587 441459830 /nfs/dbraw/zinc/45/98/30/441459830.db2.gz HGNSBGBAQAYOMT-UHFFFAOYSA-N 1 2 344.440 1.270 20 30 EDEDLO C=CCCO[C@H](C)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000066309785 441518347 /nfs/dbraw/zinc/51/83/47/441518347.db2.gz MOSUJSRBMVJBEE-MRXNPFEDSA-N 1 2 342.443 1.960 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cnns3)CC2)cc1 ZINC000054148700 441560951 /nfs/dbraw/zinc/56/09/51/441560951.db2.gz SFXFIDWGDIYEJQ-UHFFFAOYSA-N 1 2 327.413 1.758 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnns3)CC2)cc1 ZINC000054148700 441560956 /nfs/dbraw/zinc/56/09/56/441560956.db2.gz SFXFIDWGDIYEJQ-UHFFFAOYSA-N 1 2 327.413 1.758 20 30 EDEDLO C#Cc1cccc(NC(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)c1 ZINC000076097278 441597624 /nfs/dbraw/zinc/59/76/24/441597624.db2.gz DWBCGIWQXLHNBI-UHFFFAOYSA-N 1 2 328.416 1.296 20 30 EDEDLO C#Cc1cccc(NC(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)c1 ZINC000076097278 441597628 /nfs/dbraw/zinc/59/76/28/441597628.db2.gz DWBCGIWQXLHNBI-UHFFFAOYSA-N 1 2 328.416 1.296 20 30 EDEDLO COCC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000089944409 441602590 /nfs/dbraw/zinc/60/25/90/441602590.db2.gz HEPHUHQDAJERCZ-OAHLLOKOSA-N 1 2 338.429 1.202 20 30 EDEDLO COCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000089944409 441602592 /nfs/dbraw/zinc/60/25/92/441602592.db2.gz HEPHUHQDAJERCZ-OAHLLOKOSA-N 1 2 338.429 1.202 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000067117815 441606173 /nfs/dbraw/zinc/60/61/73/441606173.db2.gz MVOQDTYAXVYPOM-OAHLLOKOSA-N 1 2 339.505 1.451 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000067117815 441606179 /nfs/dbraw/zinc/60/61/79/441606179.db2.gz MVOQDTYAXVYPOM-OAHLLOKOSA-N 1 2 339.505 1.451 20 30 EDEDLO C=CCNC(=O)C[N@@H+](CCC(=O)OC)Cc1cccc(F)c1F ZINC000076180427 441606448 /nfs/dbraw/zinc/60/64/48/441606448.db2.gz GHNLNMKOKXMGTQ-UHFFFAOYSA-N 1 2 326.343 1.632 20 30 EDEDLO C=CCNC(=O)C[N@H+](CCC(=O)OC)Cc1cccc(F)c1F ZINC000076180427 441606453 /nfs/dbraw/zinc/60/64/53/441606453.db2.gz GHNLNMKOKXMGTQ-UHFFFAOYSA-N 1 2 326.343 1.632 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000076199138 441609674 /nfs/dbraw/zinc/60/96/74/441609674.db2.gz KWAQOLGAJJYXGR-UHFFFAOYSA-N 1 2 344.459 1.654 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000076199138 441609679 /nfs/dbraw/zinc/60/96/79/441609679.db2.gz KWAQOLGAJJYXGR-UHFFFAOYSA-N 1 2 344.459 1.654 20 30 EDEDLO C=CCOc1cccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000067376856 441634152 /nfs/dbraw/zinc/63/41/52/441634152.db2.gz MXZRROMIQNZHNQ-UHFFFAOYSA-N 1 2 342.399 1.983 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2ncccc2F)CC1 ZINC000090631154 441638722 /nfs/dbraw/zinc/63/87/22/441638722.db2.gz QCOARMZSAYZCGA-HNNXBMFYSA-N 1 2 332.423 1.932 20 30 EDEDLO N#CCCN(C(=O)CCC(=O)NCc1[nH]cc[nH+]1)c1ccccc1 ZINC000114337355 441645742 /nfs/dbraw/zinc/64/57/42/441645742.db2.gz SIZNFAKWIUMJHL-UHFFFAOYSA-N 1 2 325.372 1.753 20 30 EDEDLO C[N@H+](CCN1CCOCC1)CC(=O)Nc1ccccc1SCC#N ZINC000114463924 441659553 /nfs/dbraw/zinc/65/95/53/441659553.db2.gz AGXWFEGGKJQUHX-UHFFFAOYSA-N 1 2 348.472 1.505 20 30 EDEDLO C[N@@H+](CCN1CCOCC1)CC(=O)Nc1ccccc1SCC#N ZINC000114463924 441659556 /nfs/dbraw/zinc/65/95/56/441659556.db2.gz AGXWFEGGKJQUHX-UHFFFAOYSA-N 1 2 348.472 1.505 20 30 EDEDLO CN(CC[NH+]1CCOCC1)CC(=O)Nc1ccccc1SCC#N ZINC000114463924 441659559 /nfs/dbraw/zinc/65/95/59/441659559.db2.gz AGXWFEGGKJQUHX-UHFFFAOYSA-N 1 2 348.472 1.505 20 30 EDEDLO CCC[C@@H](NC(N)=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000068152818 441743065 /nfs/dbraw/zinc/74/30/65/441743065.db2.gz JCODGCVLBRONQX-MRXNPFEDSA-N 1 2 343.431 1.039 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCC(C#N)CC2)nc[nH+]1 ZINC000173431080 441749082 /nfs/dbraw/zinc/74/90/82/441749082.db2.gz SSDOMUIGFUUQSL-AWEZNQCLSA-N 1 2 343.435 1.432 20 30 EDEDLO CNc1cc(N2CCC[C@H]2CNC(=O)N2CCC(C#N)CC2)[nH+]cn1 ZINC000173431080 441749088 /nfs/dbraw/zinc/74/90/88/441749088.db2.gz SSDOMUIGFUUQSL-AWEZNQCLSA-N 1 2 343.435 1.432 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159512147 441818583 /nfs/dbraw/zinc/81/85/83/441818583.db2.gz UEVBAXNKRMQFIJ-QGZVFWFLSA-N 1 2 338.411 1.992 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2ccccc2F)CC1 ZINC000092617649 441813766 /nfs/dbraw/zinc/81/37/66/441813766.db2.gz DCZRJJFOLQLNJH-SFHVURJKSA-N 1 2 346.450 1.950 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2ccccc2F)CC1 ZINC000092617649 441813772 /nfs/dbraw/zinc/81/37/72/441813772.db2.gz DCZRJJFOLQLNJH-SFHVURJKSA-N 1 2 346.450 1.950 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000141937259 441858634 /nfs/dbraw/zinc/85/86/34/441858634.db2.gz ABKQURNDSSTQCD-CYBMUJFWSA-N 1 2 336.461 1.290 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000141937259 441858639 /nfs/dbraw/zinc/85/86/39/441858639.db2.gz ABKQURNDSSTQCD-CYBMUJFWSA-N 1 2 336.461 1.290 20 30 EDEDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000092793502 441827694 /nfs/dbraw/zinc/82/76/94/441827694.db2.gz PSVNMDBVRRDPEZ-MRXNPFEDSA-N 1 2 329.400 1.348 20 30 EDEDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)N(C)CCC#N ZINC000092793502 441827700 /nfs/dbraw/zinc/82/77/00/441827700.db2.gz PSVNMDBVRRDPEZ-MRXNPFEDSA-N 1 2 329.400 1.348 20 30 EDEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n(C)n1 ZINC000043434967 441839139 /nfs/dbraw/zinc/83/91/39/441839139.db2.gz GYHQPUGMISQRAB-UHFFFAOYSA-N 1 2 338.415 1.950 20 30 EDEDLO COCC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160802239 441923183 /nfs/dbraw/zinc/92/31/83/441923183.db2.gz SAUSUWYIVIHVET-AWEZNQCLSA-N 1 2 326.393 1.333 20 30 EDEDLO COCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160802239 441923187 /nfs/dbraw/zinc/92/31/87/441923187.db2.gz SAUSUWYIVIHVET-AWEZNQCLSA-N 1 2 326.393 1.333 20 30 EDEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCNc1cccc[nH+]1 ZINC000078761350 441970421 /nfs/dbraw/zinc/97/04/21/441970421.db2.gz ZKYUFSPZVDJGID-UHFFFAOYSA-N 1 2 339.399 1.419 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718561 441957526 /nfs/dbraw/zinc/95/75/26/441957526.db2.gz LIOARVUITVJMAR-MRXNPFEDSA-N 1 2 343.475 1.455 20 30 EDEDLO CC[C@@H]1CCCCN1C(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000078681412 441961962 /nfs/dbraw/zinc/96/19/62/441961962.db2.gz CXAJEYCLXKGFAZ-QGZVFWFLSA-N 1 2 336.480 1.325 20 30 EDEDLO CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000126232063 442090812 /nfs/dbraw/zinc/09/08/12/442090812.db2.gz SOJRJSRXYNINTD-ZDUSSCGKSA-N 1 2 348.834 1.998 20 30 EDEDLO CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000126232063 442090816 /nfs/dbraw/zinc/09/08/16/442090816.db2.gz SOJRJSRXYNINTD-ZDUSSCGKSA-N 1 2 348.834 1.998 20 30 EDEDLO Cc1ccc([C@@H](CNC(=O)c2cc(C#N)c[nH]2)[NH+]2CCOCC2)cc1 ZINC000175376442 442052167 /nfs/dbraw/zinc/05/21/67/442052167.db2.gz AVJLEHQYAMEFHF-GOSISDBHSA-N 1 2 338.411 1.998 20 30 EDEDLO C=CCOCCCC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000079576492 442062442 /nfs/dbraw/zinc/06/24/42/442062442.db2.gz LRSKKZBSQRRRGQ-OAHLLOKOSA-N 1 2 333.432 1.906 20 30 EDEDLO N#Cc1cnn(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1N ZINC000175703517 442108318 /nfs/dbraw/zinc/10/83/18/442108318.db2.gz RUEBWJCNHUBDTD-OAHLLOKOSA-N 1 2 325.372 1.268 20 30 EDEDLO N#Cc1cnn(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1N ZINC000175703517 442108323 /nfs/dbraw/zinc/10/83/23/442108323.db2.gz RUEBWJCNHUBDTD-OAHLLOKOSA-N 1 2 325.372 1.268 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000127085594 442168958 /nfs/dbraw/zinc/16/89/58/442168958.db2.gz XLPAEOZKXHHAOX-UHFFFAOYSA-N 1 2 344.459 1.553 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000166169529 442214078 /nfs/dbraw/zinc/21/40/78/442214078.db2.gz XZOGFANZATZDOE-OAHLLOKOSA-N 1 2 342.424 1.901 20 30 EDEDLO C=CCCS(=O)(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000130610306 442351706 /nfs/dbraw/zinc/35/17/06/442351706.db2.gz UTYNJCBMLHOGHI-MRXNPFEDSA-N 1 2 337.489 1.693 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155926125 442437031 /nfs/dbraw/zinc/43/70/31/442437031.db2.gz PKRHJJAKNAEMIJ-ZFWWWQNUSA-N 1 2 348.413 1.999 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000155926125 442437035 /nfs/dbraw/zinc/43/70/35/442437035.db2.gz PKRHJJAKNAEMIJ-ZFWWWQNUSA-N 1 2 348.413 1.999 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CCCN(CCOC)C(=O)C2)cc1OC ZINC000191703238 442493489 /nfs/dbraw/zinc/49/34/89/442493489.db2.gz ONEYVPXZFWDRAQ-UHFFFAOYSA-N 1 2 348.443 1.941 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CCCN(CCOC)C(=O)C2)cc1OC ZINC000191703238 442493494 /nfs/dbraw/zinc/49/34/94/442493494.db2.gz ONEYVPXZFWDRAQ-UHFFFAOYSA-N 1 2 348.443 1.941 20 30 EDEDLO CCOCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 ZINC000172675599 442519893 /nfs/dbraw/zinc/51/98/93/442519893.db2.gz RBJYVWSDPMSWMX-UHFFFAOYSA-N 1 2 337.445 1.210 20 30 EDEDLO C#CCOCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000156780234 442520376 /nfs/dbraw/zinc/52/03/76/442520376.db2.gz RFKTZKLJRHWUJT-MSOLQXFVSA-N 1 2 328.412 1.138 20 30 EDEDLO C#CCOCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000156780234 442520381 /nfs/dbraw/zinc/52/03/81/442520381.db2.gz RFKTZKLJRHWUJT-MSOLQXFVSA-N 1 2 328.412 1.138 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000134796649 442523716 /nfs/dbraw/zinc/52/37/16/442523716.db2.gz UJCQLPWRBVIFHF-DOTOQJQBSA-N 1 2 344.415 1.892 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000134796649 442523721 /nfs/dbraw/zinc/52/37/21/442523721.db2.gz UJCQLPWRBVIFHF-DOTOQJQBSA-N 1 2 344.415 1.892 20 30 EDEDLO CC(C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000157565836 442593723 /nfs/dbraw/zinc/59/37/23/442593723.db2.gz AUVZBNWYVPLOCQ-UHFFFAOYSA-N 1 2 331.376 1.113 20 30 EDEDLO CC[C@]1(C)C[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 ZINC000135723117 442628087 /nfs/dbraw/zinc/62/80/87/442628087.db2.gz HHURVGBTJSVCHP-FUHWJXTLSA-N 1 2 336.480 1.180 20 30 EDEDLO CC[C@]1(C)C[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 ZINC000135723117 442628091 /nfs/dbraw/zinc/62/80/91/442628091.db2.gz HHURVGBTJSVCHP-FUHWJXTLSA-N 1 2 336.480 1.180 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000181419526 442696056 /nfs/dbraw/zinc/69/60/56/442696056.db2.gz QKSKBOIWUOEDLF-GJZGRUSLSA-N 1 2 336.480 1.726 20 30 EDEDLO CCC[N@H+](CC(=O)NC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192550477 442661824 /nfs/dbraw/zinc/66/18/24/442661824.db2.gz JMKKCZGIRONBJD-INIZCTEOSA-N 1 2 328.416 1.512 20 30 EDEDLO CCC[N@@H+](CC(=O)NC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192550477 442661826 /nfs/dbraw/zinc/66/18/26/442661826.db2.gz JMKKCZGIRONBJD-INIZCTEOSA-N 1 2 328.416 1.512 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C#N)C1 ZINC000193448624 442743737 /nfs/dbraw/zinc/74/37/37/442743737.db2.gz NRZBGHWYJYWGQN-CYBMUJFWSA-N 1 2 333.392 1.314 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C#N)C1 ZINC000193448624 442743738 /nfs/dbraw/zinc/74/37/38/442743738.db2.gz NRZBGHWYJYWGQN-CYBMUJFWSA-N 1 2 333.392 1.314 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000246523855 442789137 /nfs/dbraw/zinc/78/91/37/442789137.db2.gz FMLUMGOMAJXYKK-BBRMVZONSA-N 1 2 346.406 1.623 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000246523855 442789140 /nfs/dbraw/zinc/78/91/40/442789140.db2.gz FMLUMGOMAJXYKK-BBRMVZONSA-N 1 2 346.406 1.623 20 30 EDEDLO C=CC[N@@H+](CCc1nc2ccccc2n1C)[C@H]1CCS(=O)(=O)C1 ZINC000265498491 442797124 /nfs/dbraw/zinc/79/71/24/442797124.db2.gz MECCRKYCKGZQCG-AWEZNQCLSA-N 1 2 333.457 1.791 20 30 EDEDLO C=CC[N@H+](CCc1nc2ccccc2n1C)[C@H]1CCS(=O)(=O)C1 ZINC000265498491 442797129 /nfs/dbraw/zinc/79/71/29/442797129.db2.gz MECCRKYCKGZQCG-AWEZNQCLSA-N 1 2 333.457 1.791 20 30 EDEDLO COc1ccc([C@H](NC(=O)NC[C@@H](C)C#N)c2[nH+]ccn2C)cc1 ZINC000182383443 442762649 /nfs/dbraw/zinc/76/26/49/442762649.db2.gz LSTLSDCHIBSHKG-WFASDCNBSA-N 1 2 327.388 1.977 20 30 EDEDLO C[C@H](C#N)CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000182394581 442763393 /nfs/dbraw/zinc/76/33/93/442763393.db2.gz SBFMMHVUWHQWAJ-CQSZACIVSA-N 1 2 343.431 1.548 20 30 EDEDLO C[C@@H](C#N)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000182492664 442776256 /nfs/dbraw/zinc/77/62/56/442776256.db2.gz SVMBVBNCPJHNJE-MELADBBJSA-N 1 2 331.420 1.654 20 30 EDEDLO CNc1[nH+]cnc2c1cnn2C[C@H](O)COc1ccc(CC#N)cc1 ZINC000193756475 442780829 /nfs/dbraw/zinc/78/08/29/442780829.db2.gz MXRJGCMSSDWACY-ZDUSSCGKSA-N 1 2 338.371 1.374 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2CO)CCCCC1 ZINC000268072371 442836791 /nfs/dbraw/zinc/83/67/91/442836791.db2.gz DBGIIXZYCWSPCA-QGZVFWFLSA-N 1 2 327.428 1.921 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2CO)CCCCC1 ZINC000268072371 442836794 /nfs/dbraw/zinc/83/67/94/442836794.db2.gz DBGIIXZYCWSPCA-QGZVFWFLSA-N 1 2 327.428 1.921 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000182895214 442843803 /nfs/dbraw/zinc/84/38/03/442843803.db2.gz AJDHTYRZWSJQDP-SJORKVTESA-N 1 2 333.432 1.296 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000248541461 442899559 /nfs/dbraw/zinc/89/95/59/442899559.db2.gz BOKDQYBISGTRHE-OFQRWUPVSA-N 1 2 348.447 1.431 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3c[nH]c(C#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000181214684 318480529 /nfs/dbraw/zinc/48/05/29/318480529.db2.gz LLZZKRFUUZYRFG-BETUJISGSA-N 1 2 339.399 1.825 20 30 EDEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184604938 443048433 /nfs/dbraw/zinc/04/84/33/443048433.db2.gz DTJPZHCLUFSESI-INIZCTEOSA-N 1 2 345.378 1.250 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000266132943 443029912 /nfs/dbraw/zinc/02/99/12/443029912.db2.gz BLYNGVGARBSYNZ-KRWDZBQOSA-N 1 2 349.456 1.042 20 30 EDEDLO COC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccco1 ZINC000184552171 443038264 /nfs/dbraw/zinc/03/82/64/443038264.db2.gz UQLRRSADHBAEDE-HNNXBMFYSA-N 1 2 334.397 1.902 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000268660148 443067942 /nfs/dbraw/zinc/06/79/42/443067942.db2.gz XHUILWRQKWJOKR-JSGCOSHPSA-N 1 2 347.440 1.866 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000268660148 443067945 /nfs/dbraw/zinc/06/79/45/443067945.db2.gz XHUILWRQKWJOKR-JSGCOSHPSA-N 1 2 347.440 1.866 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCO[C@]4(CCOC4)C3)C2=O)cc1 ZINC000185146430 443147618 /nfs/dbraw/zinc/14/76/18/443147618.db2.gz GIRNELYNRFLWDL-SJLPKXTDSA-N 1 2 327.384 1.155 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCO[C@]4(CCOC4)C3)C2=O)cc1 ZINC000185146430 443147620 /nfs/dbraw/zinc/14/76/20/443147620.db2.gz GIRNELYNRFLWDL-SJLPKXTDSA-N 1 2 327.384 1.155 20 30 EDEDLO C=C1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000268981219 443164836 /nfs/dbraw/zinc/16/48/36/443164836.db2.gz HWHVWRSQZZMRFF-UHFFFAOYSA-N 1 2 342.443 1.689 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2[nH]c1=S ZINC000237999292 443191684 /nfs/dbraw/zinc/19/16/84/443191684.db2.gz FPDONJFYXIRDPB-GFCCVEGCSA-N 1 2 344.440 1.353 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246059174 443264157 /nfs/dbraw/zinc/26/41/57/443264157.db2.gz AXRKXMLMNYXOFX-HUUCEWRRSA-N 1 2 328.478 1.475 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246059174 443264160 /nfs/dbraw/zinc/26/41/60/443264160.db2.gz AXRKXMLMNYXOFX-HUUCEWRRSA-N 1 2 328.478 1.475 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC[C@@H](C)C(C)=O)CC1 ZINC000269283796 443265860 /nfs/dbraw/zinc/26/58/60/443265860.db2.gz MNOPODOFAWJXMC-MRXNPFEDSA-N 1 2 349.475 1.056 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC[C@@H](C)C(C)=O)CC1 ZINC000269283796 443265864 /nfs/dbraw/zinc/26/58/64/443265864.db2.gz MNOPODOFAWJXMC-MRXNPFEDSA-N 1 2 349.475 1.056 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC[C@H](C)C(C)=O)CC1 ZINC000269283794 443266199 /nfs/dbraw/zinc/26/61/99/443266199.db2.gz MNOPODOFAWJXMC-INIZCTEOSA-N 1 2 349.475 1.056 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC[C@H](C)C(C)=O)CC1 ZINC000269283794 443266204 /nfs/dbraw/zinc/26/62/04/443266204.db2.gz MNOPODOFAWJXMC-INIZCTEOSA-N 1 2 349.475 1.056 20 30 EDEDLO Cc1cnn(C[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CCO2)c1 ZINC000264527565 443314781 /nfs/dbraw/zinc/31/47/81/443314781.db2.gz CKLMNQHANWNYOD-SFHVURJKSA-N 1 2 326.400 1.995 20 30 EDEDLO Cc1cnn(C[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CCO2)c1 ZINC000264527565 443314784 /nfs/dbraw/zinc/31/47/84/443314784.db2.gz CKLMNQHANWNYOD-SFHVURJKSA-N 1 2 326.400 1.995 20 30 EDEDLO Cn1cc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)cc1C#N ZINC000191463914 443298617 /nfs/dbraw/zinc/29/86/17/443298617.db2.gz UIDZADMFFYFOBA-GFCCVEGCSA-N 1 2 340.391 1.942 20 30 EDEDLO Cc1cccc(CNC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000264682505 443372676 /nfs/dbraw/zinc/37/26/76/443372676.db2.gz DBBKVZXFHMCFRS-UHFFFAOYSA-N 1 2 349.438 1.700 20 30 EDEDLO C[C@@H]([NH2+]Cc1nnnn1CC1CCOCC1)c1ccc(C#N)cc1 ZINC000278543403 443359463 /nfs/dbraw/zinc/35/94/63/443359463.db2.gz AJFRWNTXVAYPKJ-CYBMUJFWSA-N 1 2 326.404 1.822 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)[nH]1 ZINC000272767663 443437949 /nfs/dbraw/zinc/43/79/49/443437949.db2.gz RRVUUUAKDPIMQP-UHFFFAOYSA-N 1 2 325.372 1.390 20 30 EDEDLO COC[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])OC ZINC000272657841 443400103 /nfs/dbraw/zinc/40/01/03/443400103.db2.gz RRQXVZGJBJVGQZ-GFCCVEGCSA-N 1 2 344.415 1.308 20 30 EDEDLO CC[N@H+](CCCNS(=O)(=O)N(C)[C@@H](C)CC#N)c1ccccc1 ZINC000282934479 443473932 /nfs/dbraw/zinc/47/39/32/443473932.db2.gz IHJWRYKBSXRCEM-HNNXBMFYSA-N 1 2 338.477 1.971 20 30 EDEDLO CC[N@@H+](CCCNS(=O)(=O)N(C)[C@@H](C)CC#N)c1ccccc1 ZINC000282934479 443473934 /nfs/dbraw/zinc/47/39/34/443473934.db2.gz IHJWRYKBSXRCEM-HNNXBMFYSA-N 1 2 338.477 1.971 20 30 EDEDLO C=C[C@@H](CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC)c1ccccc1 ZINC000271173015 443494032 /nfs/dbraw/zinc/49/40/32/443494032.db2.gz TUUCICMDHPIRJL-BBRMVZONSA-N 1 2 327.384 1.970 20 30 EDEDLO C=C[C@@H](CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC)c1ccccc1 ZINC000271173015 443494035 /nfs/dbraw/zinc/49/40/35/443494035.db2.gz TUUCICMDHPIRJL-BBRMVZONSA-N 1 2 327.384 1.970 20 30 EDEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000267828645 443591247 /nfs/dbraw/zinc/59/12/47/443591247.db2.gz QHYVNBHIVZAACB-HNNXBMFYSA-N 1 2 325.372 1.403 20 30 EDEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000267828645 443591250 /nfs/dbraw/zinc/59/12/50/443591250.db2.gz QHYVNBHIVZAACB-HNNXBMFYSA-N 1 2 325.372 1.403 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCN(CC)C(=O)C2)c(OC)c1 ZINC000273510656 443577808 /nfs/dbraw/zinc/57/78/08/443577808.db2.gz OKSOKTRIGLHQFT-INIZCTEOSA-N 1 2 348.443 1.328 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN(CC)C(=O)C2)c(OC)c1 ZINC000273510656 443577812 /nfs/dbraw/zinc/57/78/12/443577812.db2.gz OKSOKTRIGLHQFT-INIZCTEOSA-N 1 2 348.443 1.328 20 30 EDEDLO COc1ccc(C)nc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000274193778 443597914 /nfs/dbraw/zinc/59/79/14/443597914.db2.gz OXADGSCKFPCMIY-UHFFFAOYSA-N 1 2 347.419 1.478 20 30 EDEDLO CC(=O)N1CC[NH+](CCNc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000265293514 443598464 /nfs/dbraw/zinc/59/84/64/443598464.db2.gz YKNYWKMIKWLUPV-UHFFFAOYSA-N 1 2 341.337 1.548 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3cncc4ncnn43)CC2)s1 ZINC000275818574 443644172 /nfs/dbraw/zinc/64/41/72/443644172.db2.gz UPCQWBLIMRGVFH-UHFFFAOYSA-N 1 2 325.401 1.380 20 30 EDEDLO Cc1nsc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1C#N ZINC000283525213 443654382 /nfs/dbraw/zinc/65/43/82/443654382.db2.gz KPPGTDTUZLFGPF-UHFFFAOYSA-N 1 2 340.416 1.327 20 30 EDEDLO CC(C)n1nccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000280262235 443685820 /nfs/dbraw/zinc/68/58/20/443685820.db2.gz MNZQDSBCPNASGG-CQSZACIVSA-N 1 2 325.420 1.836 20 30 EDEDLO CC(C)n1nccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000280262235 443685823 /nfs/dbraw/zinc/68/58/23/443685823.db2.gz MNZQDSBCPNASGG-CQSZACIVSA-N 1 2 325.420 1.836 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CCN1C ZINC000280199829 443675652 /nfs/dbraw/zinc/67/56/52/443675652.db2.gz FWWJKZVHRBUJOI-OAHLLOKOSA-N 1 2 326.360 1.693 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C[C@@H](O)CC(F)(F)F)CC2)cc1 ZINC000276381744 443694101 /nfs/dbraw/zinc/69/41/01/443694101.db2.gz QNXSLGORIJZUSK-HNNXBMFYSA-N 1 2 327.350 1.989 20 30 EDEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000283754104 443707854 /nfs/dbraw/zinc/70/78/54/443707854.db2.gz AEIWCBDHPPCYOF-ZBFHGGJFSA-N 1 2 346.431 1.192 20 30 EDEDLO CC(C)[N@H+](CCOCCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000283765644 443712309 /nfs/dbraw/zinc/71/23/09/443712309.db2.gz OAWFAPCGAQDZBP-UHFFFAOYSA-N 1 2 340.445 1.051 20 30 EDEDLO CC(C)[N@@H+](CCOCCO)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000283765644 443712311 /nfs/dbraw/zinc/71/23/11/443712311.db2.gz OAWFAPCGAQDZBP-UHFFFAOYSA-N 1 2 340.445 1.051 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(C#N)cc1 ZINC000286518958 443714298 /nfs/dbraw/zinc/71/42/98/443714298.db2.gz NGCCLKALJZYHBC-WMLDXEAASA-N 1 2 328.416 1.563 20 30 EDEDLO C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2COc3ccc(F)cc3C2)CC1 ZINC000290946326 443717930 /nfs/dbraw/zinc/71/79/30/443717930.db2.gz LLRSOVNBACIMDR-OAHLLOKOSA-N 1 2 346.406 1.759 20 30 EDEDLO C=C(C)CS(=O)(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000280607718 443737802 /nfs/dbraw/zinc/73/78/02/443737802.db2.gz QBNBJRCSKQUACR-UHFFFAOYSA-N 1 2 341.477 1.999 20 30 EDEDLO N#Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)ccn1 ZINC000280777276 443745140 /nfs/dbraw/zinc/74/51/40/443745140.db2.gz PKPWCCAHVLPJGR-MOPGFXCFSA-N 1 2 348.406 1.679 20 30 EDEDLO N#Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)ccn1 ZINC000280777276 443745144 /nfs/dbraw/zinc/74/51/44/443745144.db2.gz PKPWCCAHVLPJGR-MOPGFXCFSA-N 1 2 348.406 1.679 20 30 EDEDLO CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292307364 443789085 /nfs/dbraw/zinc/78/90/85/443789085.db2.gz VBUAPGMHJKYKJP-CQSZACIVSA-N 1 2 325.372 1.665 20 30 EDEDLO CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292307364 443789091 /nfs/dbraw/zinc/78/90/91/443789091.db2.gz VBUAPGMHJKYKJP-CQSZACIVSA-N 1 2 325.372 1.665 20 30 EDEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000298521420 443790542 /nfs/dbraw/zinc/79/05/42/443790542.db2.gz LKXGHIIPRHKGTR-MRXNPFEDSA-N 1 2 327.428 1.201 20 30 EDEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000298521420 443790543 /nfs/dbraw/zinc/79/05/43/443790543.db2.gz LKXGHIIPRHKGTR-MRXNPFEDSA-N 1 2 327.428 1.201 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC000283867348 443748858 /nfs/dbraw/zinc/74/88/58/443748858.db2.gz DLDZEKBAPCUBJL-UHFFFAOYSA-N 1 2 349.456 1.215 20 30 EDEDLO NC(COc1cc(F)cc(F)c1)=[NH+]OC[C@@H]1CCCS(=O)(=O)C1 ZINC000284387919 443774118 /nfs/dbraw/zinc/77/41/18/443774118.db2.gz MJMGQTLYWORGGJ-JTQLQIEISA-N 1 2 348.371 1.457 20 30 EDEDLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)[C@H]1CCCO1 ZINC000284434666 443774865 /nfs/dbraw/zinc/77/48/65/443774865.db2.gz OZKJUMIQIIKKRM-YWPYICTPSA-N 1 2 335.404 1.729 20 30 EDEDLO N#CCC[N@H+](CCN1CCOCC1)C[C@H](O)Cc1ccc(F)cc1 ZINC000292670774 443813982 /nfs/dbraw/zinc/81/39/82/443813982.db2.gz BCEXMDYSCHWJAT-GOSISDBHSA-N 1 2 335.423 1.277 20 30 EDEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@H](O)Cc1ccc(F)cc1 ZINC000292670774 443813987 /nfs/dbraw/zinc/81/39/87/443813987.db2.gz BCEXMDYSCHWJAT-GOSISDBHSA-N 1 2 335.423 1.277 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)Cc1ccc(F)cc1 ZINC000292670774 443813990 /nfs/dbraw/zinc/81/39/90/443813990.db2.gz BCEXMDYSCHWJAT-GOSISDBHSA-N 1 2 335.423 1.277 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1=O ZINC000281187826 443842101 /nfs/dbraw/zinc/84/21/01/443842101.db2.gz BJPLQTCYAWWBTH-QGZVFWFLSA-N 1 2 340.427 1.652 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1=O ZINC000281187826 443842106 /nfs/dbraw/zinc/84/21/06/443842106.db2.gz BJPLQTCYAWWBTH-QGZVFWFLSA-N 1 2 340.427 1.652 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2OC)C1=O ZINC000281201909 443846397 /nfs/dbraw/zinc/84/63/97/443846397.db2.gz CLZFIPFFABBVIV-INIZCTEOSA-N 1 2 345.443 1.372 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2OC)C1=O ZINC000281201909 443846401 /nfs/dbraw/zinc/84/64/01/443846401.db2.gz CLZFIPFFABBVIV-INIZCTEOSA-N 1 2 345.443 1.372 20 30 EDEDLO CCOC1CC(CO[NH+]=C(N)COc2cccc(C(=O)OC)c2)C1 ZINC000284993706 443812322 /nfs/dbraw/zinc/81/23/22/443812322.db2.gz CIQTWZRCURXGDK-UHFFFAOYSA-N 1 2 336.388 1.956 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1=O ZINC000281381022 443894787 /nfs/dbraw/zinc/89/47/87/443894787.db2.gz NTCZHALOILLAHF-KRWDZBQOSA-N 1 2 338.411 1.790 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3ccccc3OC)C2=O)C1=O ZINC000281228825 443853645 /nfs/dbraw/zinc/85/36/45/443853645.db2.gz FGMXCFSZBYHPFW-CVEARBPZSA-N 1 2 343.427 1.519 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3ccccc3OC)C2=O)C1=O ZINC000281228825 443853649 /nfs/dbraw/zinc/85/36/49/443853649.db2.gz FGMXCFSZBYHPFW-CVEARBPZSA-N 1 2 343.427 1.519 20 30 EDEDLO CC#CC[N@@H+](C)CC(=O)NCCc1ccc(OC(F)F)c(OC)c1 ZINC000293045699 443911307 /nfs/dbraw/zinc/91/13/07/443911307.db2.gz HLTIMILAGORQFC-UHFFFAOYSA-N 1 2 340.370 1.910 20 30 EDEDLO CC#CC[N@H+](C)CC(=O)NCCc1ccc(OC(F)F)c(OC)c1 ZINC000293045699 443911312 /nfs/dbraw/zinc/91/13/12/443911312.db2.gz HLTIMILAGORQFC-UHFFFAOYSA-N 1 2 340.370 1.910 20 30 EDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000299201050 443980679 /nfs/dbraw/zinc/98/06/79/443980679.db2.gz GCYQRUZNKKRELR-CYBMUJFWSA-N 1 2 341.367 1.063 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000281899356 444035146 /nfs/dbraw/zinc/03/51/46/444035146.db2.gz PTOZVQVEZMVHQZ-HNNXBMFYSA-N 1 2 337.383 1.708 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000281811621 444012070 /nfs/dbraw/zinc/01/20/70/444012070.db2.gz NTQUOFQNDUMDKQ-XHSDSOJGSA-N 1 2 347.463 1.399 20 30 EDEDLO C[C@H]1CSCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289159333 444066930 /nfs/dbraw/zinc/06/69/30/444066930.db2.gz DOQCNDGNMMMIMH-GFCCVEGCSA-N 1 2 325.459 1.412 20 30 EDEDLO C[C@H]1CSCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289159333 444066932 /nfs/dbraw/zinc/06/69/32/444066932.db2.gz DOQCNDGNMMMIMH-GFCCVEGCSA-N 1 2 325.459 1.412 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000281992203 444056872 /nfs/dbraw/zinc/05/68/72/444056872.db2.gz MWRPQHDYCVJGNS-QZTJIDSGSA-N 1 2 329.444 1.125 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C1CC1 ZINC000561124257 321033778 /nfs/dbraw/zinc/03/37/78/321033778.db2.gz POEHOPTYFDIEEF-INIZCTEOSA-N 1 2 337.383 1.289 20 30 EDEDLO CCCc1nc(C)c(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)o1 ZINC000566121281 321217989 /nfs/dbraw/zinc/21/79/89/321217989.db2.gz CLJJRTUAQXRHKI-UHFFFAOYSA-N 1 2 348.428 1.766 20 30 EDEDLO C[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[NH+]1CCOCC1 ZINC000294241628 444106793 /nfs/dbraw/zinc/10/67/93/444106793.db2.gz WDAPIDMUWRIMNY-JTQLQIEISA-N 1 2 342.321 1.423 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301436633 444171912 /nfs/dbraw/zinc/17/19/12/444171912.db2.gz WYMPKBHVXFISDA-CYBMUJFWSA-N 1 2 327.344 1.757 20 30 EDEDLO C[N@H+]1CCO[C@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301436633 444171915 /nfs/dbraw/zinc/17/19/15/444171915.db2.gz WYMPKBHVXFISDA-CYBMUJFWSA-N 1 2 327.344 1.757 20 30 EDEDLO C#CC[C@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(N)=O ZINC000301828544 444192553 /nfs/dbraw/zinc/19/25/53/444192553.db2.gz OGTSWULKOJEQJK-ZDUSSCGKSA-N 1 2 325.328 1.649 20 30 EDEDLO N#CC1(NC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)CCCCC1 ZINC000305174403 444262797 /nfs/dbraw/zinc/26/27/97/444262797.db2.gz UYFDAXVQOJUDQV-AWEZNQCLSA-N 1 2 347.381 1.964 20 30 EDEDLO C#CCOc1ccc(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC000297098883 444274172 /nfs/dbraw/zinc/27/41/72/444274172.db2.gz ROZJLPJTPIRIPH-LJQANCHMSA-N 1 2 342.439 1.816 20 30 EDEDLO C#CCOc1ccc(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC000297098883 444274174 /nfs/dbraw/zinc/27/41/74/444274174.db2.gz ROZJLPJTPIRIPH-LJQANCHMSA-N 1 2 342.439 1.816 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCN(CC(F)F)CC1 ZINC000330986342 444347817 /nfs/dbraw/zinc/34/78/17/444347817.db2.gz QDICNEDTZQLPMU-UHFFFAOYSA-N 1 2 329.395 1.836 20 30 EDEDLO CC(C)NC(=O)NC1(C(=O)NCC[NH+]2CCOCC2)CCCCC1 ZINC000331005271 444355976 /nfs/dbraw/zinc/35/59/76/444355976.db2.gz YZCVJWKVZKTZKT-UHFFFAOYSA-N 1 2 340.468 1.050 20 30 EDEDLO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)N1CCOCC1 ZINC000328807318 444359749 /nfs/dbraw/zinc/35/97/49/444359749.db2.gz IFHJGKLVQKGIDU-INIZCTEOSA-N 1 2 347.459 1.696 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1)C1CC1 ZINC000328814183 444361786 /nfs/dbraw/zinc/36/17/86/444361786.db2.gz GEHYTJRXCOGTIG-MAUKXSAKSA-N 1 2 348.447 1.348 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1)C1CC1 ZINC000328814183 444361789 /nfs/dbraw/zinc/36/17/89/444361789.db2.gz GEHYTJRXCOGTIG-MAUKXSAKSA-N 1 2 348.447 1.348 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000340129771 444363592 /nfs/dbraw/zinc/36/35/92/444363592.db2.gz UQRYZBGNPWTUGR-UHFFFAOYSA-N 1 2 338.411 1.748 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F)C1CC1 ZINC000340198152 444368812 /nfs/dbraw/zinc/36/88/12/444368812.db2.gz HHEKGZIPUMEDJC-FPMFFAJLSA-N 1 2 333.354 1.573 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F)C1CC1 ZINC000340198152 444368815 /nfs/dbraw/zinc/36/88/15/444368815.db2.gz HHEKGZIPUMEDJC-FPMFFAJLSA-N 1 2 333.354 1.573 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)c3cnnn3C)c[nH+]2)C[C@H](C)O1 ZINC000328671190 444423102 /nfs/dbraw/zinc/42/31/02/444423102.db2.gz NIFCQNZXMGXDDU-TXEJJXNPSA-N 1 2 330.392 1.329 20 30 EDEDLO CCc1cnc(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)s1 ZINC000328869487 444382190 /nfs/dbraw/zinc/38/21/90/444382190.db2.gz HPPRZAKIJJMNAP-KGLIPLIRSA-N 1 2 338.477 1.567 20 30 EDEDLO CCc1cnc(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)s1 ZINC000328869487 444382194 /nfs/dbraw/zinc/38/21/94/444382194.db2.gz HPPRZAKIJJMNAP-KGLIPLIRSA-N 1 2 338.477 1.567 20 30 EDEDLO COC1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CCCCC1 ZINC000328890643 444389630 /nfs/dbraw/zinc/38/96/30/444389630.db2.gz RVFGRMZDFURZMD-CABCVRRESA-N 1 2 325.453 1.655 20 30 EDEDLO COC1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CCCCC1 ZINC000328890643 444389632 /nfs/dbraw/zinc/38/96/32/444389632.db2.gz RVFGRMZDFURZMD-CABCVRRESA-N 1 2 325.453 1.655 20 30 EDEDLO Cc1oc(-c2cnn(C)c2)nc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000328615814 444394921 /nfs/dbraw/zinc/39/49/21/444394921.db2.gz RYKLFXWMQLTCHA-NSHDSACASA-N 1 2 333.392 1.409 20 30 EDEDLO Cc1oc(-c2cnn(C)c2)nc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000328615814 444394925 /nfs/dbraw/zinc/39/49/25/444394925.db2.gz RYKLFXWMQLTCHA-NSHDSACASA-N 1 2 333.392 1.409 20 30 EDEDLO CC(C)C(=O)Nc1cc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccn1 ZINC000328910159 444399033 /nfs/dbraw/zinc/39/90/33/444399033.db2.gz FJSMQGZZNVRZRG-UONOGXRCSA-N 1 2 332.404 1.481 20 30 EDEDLO CC(C)C(=O)Nc1cc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)ccn1 ZINC000328910159 444399036 /nfs/dbraw/zinc/39/90/36/444399036.db2.gz FJSMQGZZNVRZRG-UONOGXRCSA-N 1 2 332.404 1.481 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000328917013 444401346 /nfs/dbraw/zinc/40/13/46/444401346.db2.gz KKUUAXGHEPILAU-RBSFLKMASA-N 1 2 326.485 1.330 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000328917013 444401351 /nfs/dbraw/zinc/40/13/51/444401351.db2.gz KKUUAXGHEPILAU-RBSFLKMASA-N 1 2 326.485 1.330 20 30 EDEDLO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000328919348 444402594 /nfs/dbraw/zinc/40/25/94/444402594.db2.gz BODFAVAIZAKHTL-SECBINFHSA-N 1 2 327.344 1.420 20 30 EDEDLO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000328919348 444402599 /nfs/dbraw/zinc/40/25/99/444402599.db2.gz BODFAVAIZAKHTL-SECBINFHSA-N 1 2 327.344 1.420 20 30 EDEDLO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000337876736 444445806 /nfs/dbraw/zinc/44/58/06/444445806.db2.gz ZGMGWKYPXINCAE-OAHLLOKOSA-N 1 2 343.431 1.943 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@H]1c1nncn1C)CCC2 ZINC000329015410 444445998 /nfs/dbraw/zinc/44/59/98/444445998.db2.gz QAULUOBGKSDCFM-KBPBESRZSA-N 1 2 343.435 1.949 20 30 EDEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)n1 ZINC000329024625 444449187 /nfs/dbraw/zinc/44/91/87/444449187.db2.gz JCQMKNUYFJPXCJ-GXTWGEPZSA-N 1 2 349.435 1.525 20 30 EDEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)n1 ZINC000329024625 444449191 /nfs/dbraw/zinc/44/91/91/444449191.db2.gz JCQMKNUYFJPXCJ-GXTWGEPZSA-N 1 2 349.435 1.525 20 30 EDEDLO O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000329078492 444466322 /nfs/dbraw/zinc/46/63/22/444466322.db2.gz QLEBKWZGICUNIW-CAOSSQGBSA-N 1 2 348.447 1.536 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340651941 444471844 /nfs/dbraw/zinc/47/18/44/444471844.db2.gz URYSJFMZQCRPSK-CYBMUJFWSA-N 1 2 332.429 1.664 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000329098756 444472100 /nfs/dbraw/zinc/47/21/00/444472100.db2.gz YYCJFYOQEGHWES-DIODGJHASA-N 1 2 334.464 1.468 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000329098756 444472103 /nfs/dbraw/zinc/47/21/03/444472103.db2.gz YYCJFYOQEGHWES-DIODGJHASA-N 1 2 334.464 1.468 20 30 EDEDLO CN1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1=O ZINC000328726468 444442267 /nfs/dbraw/zinc/44/22/67/444442267.db2.gz ZQMKAKAWZOMNDZ-GDBMZVCRSA-N 1 2 333.457 1.964 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)CC[C@@H]21 ZINC000329008007 444443393 /nfs/dbraw/zinc/44/33/93/444443393.db2.gz ZOPJDOPOMVZFAM-ZNMIVQPWSA-N 1 2 344.415 1.249 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)CC[C@@H]21 ZINC000329008007 444443396 /nfs/dbraw/zinc/44/33/96/444443396.db2.gz ZOPJDOPOMVZFAM-ZNMIVQPWSA-N 1 2 344.415 1.249 20 30 EDEDLO CC(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000331940989 444491982 /nfs/dbraw/zinc/49/19/82/444491982.db2.gz XUWWABMTVZRJSO-MAUKXSAKSA-N 1 2 336.480 1.620 20 30 EDEDLO CC(C)C(=O)N1CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000331940989 444491985 /nfs/dbraw/zinc/49/19/85/444491985.db2.gz XUWWABMTVZRJSO-MAUKXSAKSA-N 1 2 336.480 1.620 20 30 EDEDLO Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)on1 ZINC000329207167 444501755 /nfs/dbraw/zinc/50/17/55/444501755.db2.gz ZVRXVMZSIIIJQZ-CABCVRRESA-N 1 2 335.452 1.670 20 30 EDEDLO C=CCN(CC=C)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000340782654 444508982 /nfs/dbraw/zinc/50/89/82/444508982.db2.gz JDCDGLLXWIZBGV-AWEZNQCLSA-N 1 2 331.420 1.295 20 30 EDEDLO COc1cnc(NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)s1 ZINC000329232461 444508346 /nfs/dbraw/zinc/50/83/46/444508346.db2.gz GALNRHXZDWICOC-GFCCVEGCSA-N 1 2 340.449 1.740 20 30 EDEDLO COc1cnc(NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)s1 ZINC000329232461 444508349 /nfs/dbraw/zinc/50/83/49/444508349.db2.gz GALNRHXZDWICOC-GFCCVEGCSA-N 1 2 340.449 1.740 20 30 EDEDLO COc1cnc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)s1 ZINC000329242315 444510431 /nfs/dbraw/zinc/51/04/31/444510431.db2.gz OFKXXGQYOAOMKS-QWRGUYRKSA-N 1 2 326.422 1.492 20 30 EDEDLO O=C([C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1)N1CCCC1 ZINC000329243077 444510749 /nfs/dbraw/zinc/51/07/49/444510749.db2.gz SRBHCKFXDWMNOS-ZIAGYGMSSA-N 1 2 331.420 1.056 20 30 EDEDLO CC(C)Cn1ncc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1C1CC1 ZINC000329296249 444524425 /nfs/dbraw/zinc/52/44/25/444524425.db2.gz STTNDKGMOZDCAV-HOTGVXAUSA-N 1 2 347.463 1.977 20 30 EDEDLO CC(C)Cn1ncc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1C1CC1 ZINC000329296249 444524430 /nfs/dbraw/zinc/52/44/30/444524430.db2.gz STTNDKGMOZDCAV-HOTGVXAUSA-N 1 2 347.463 1.977 20 30 EDEDLO COc1ccc(CNC(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1OC ZINC000329424655 444574148 /nfs/dbraw/zinc/57/41/48/444574148.db2.gz IPLOIQHJOODYQH-HNNXBMFYSA-N 1 2 349.431 1.177 20 30 EDEDLO COc1ccc(CNC(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)cc1OC ZINC000329424655 444574154 /nfs/dbraw/zinc/57/41/54/444574154.db2.gz IPLOIQHJOODYQH-HNNXBMFYSA-N 1 2 349.431 1.177 20 30 EDEDLO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000343716009 444541576 /nfs/dbraw/zinc/54/15/76/444541576.db2.gz UVIVOGGVXBJBSM-UHFFFAOYSA-N 1 2 343.387 1.337 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338320327 444630667 /nfs/dbraw/zinc/63/06/67/444630667.db2.gz LJISCFJTGXVGGX-CXAGYDPISA-N 1 2 348.451 1.369 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338320327 444630674 /nfs/dbraw/zinc/63/06/74/444630674.db2.gz LJISCFJTGXVGGX-CXAGYDPISA-N 1 2 348.451 1.369 20 30 EDEDLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343795411 444596534 /nfs/dbraw/zinc/59/65/34/444596534.db2.gz GNNSUCNSIRAGGM-IPYPFGDCSA-N 1 2 337.445 1.208 20 30 EDEDLO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000343795411 444596536 /nfs/dbraw/zinc/59/65/36/444596536.db2.gz GNNSUCNSIRAGGM-IPYPFGDCSA-N 1 2 337.445 1.208 20 30 EDEDLO CC[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H](C)S1(=O)=O ZINC000329512731 444610333 /nfs/dbraw/zinc/61/03/33/444610333.db2.gz LDDILQFKIJDLHP-WCQYABFASA-N 1 2 336.417 1.777 20 30 EDEDLO Cn1cc([C@]2(C)CN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)CCO2)cn1 ZINC000329642622 444661317 /nfs/dbraw/zinc/66/13/17/444661317.db2.gz CYBPDGFPJBQJLH-DYVFJYSZSA-N 1 2 344.419 1.162 20 30 EDEDLO Cn1cc([C@]2(C)CN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)CCO2)cn1 ZINC000329642622 444661319 /nfs/dbraw/zinc/66/13/19/444661319.db2.gz CYBPDGFPJBQJLH-DYVFJYSZSA-N 1 2 344.419 1.162 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000329606399 444646042 /nfs/dbraw/zinc/64/60/42/444646042.db2.gz MLQVCEQNIDNHKT-SNVBAGLBSA-N 1 2 343.225 1.100 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000329606399 444646045 /nfs/dbraw/zinc/64/60/45/444646045.db2.gz MLQVCEQNIDNHKT-SNVBAGLBSA-N 1 2 343.225 1.100 20 30 EDEDLO Cc1cccc2c(CCNC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)c[nH]c21 ZINC000329784554 444715857 /nfs/dbraw/zinc/71/58/57/444715857.db2.gz WEOPMFILQQULPS-MRXNPFEDSA-N 1 2 343.475 1.768 20 30 EDEDLO Cc1cccc2c(CCNC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)c[nH]c21 ZINC000329784554 444715859 /nfs/dbraw/zinc/71/58/59/444715859.db2.gz WEOPMFILQQULPS-MRXNPFEDSA-N 1 2 343.475 1.768 20 30 EDEDLO O=C(NCc1noc2c1CCCC2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329700649 444685276 /nfs/dbraw/zinc/68/52/76/444685276.db2.gz GVHBBUXEBRVZPG-AWEZNQCLSA-N 1 2 348.447 1.764 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000329723736 444693587 /nfs/dbraw/zinc/69/35/87/444693587.db2.gz NTXNJHMVBFINOA-PMPSAXMXSA-N 1 2 337.464 1.655 20 30 EDEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1(CC)CC ZINC000329732717 444696584 /nfs/dbraw/zinc/69/65/84/444696584.db2.gz QJOKWDJVMQMOQH-XUWVNRHRSA-N 1 2 339.480 1.899 20 30 EDEDLO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1(CC)CC ZINC000329732717 444696585 /nfs/dbraw/zinc/69/65/85/444696585.db2.gz QJOKWDJVMQMOQH-XUWVNRHRSA-N 1 2 339.480 1.899 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000342589380 444760229 /nfs/dbraw/zinc/76/02/29/444760229.db2.gz BZUOVLAKCUBWKP-SECBINFHSA-N 1 2 326.328 1.400 20 30 EDEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)NCC2(C)CCOCC2)CCN1C ZINC000329941002 444779001 /nfs/dbraw/zinc/77/90/01/444779001.db2.gz BYSCZTNQCJUVDV-CQSZACIVSA-N 1 2 335.452 1.439 20 30 EDEDLO CCN1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329984414 444799368 /nfs/dbraw/zinc/79/93/68/444799368.db2.gz CEWXFKZMHBKFNQ-XQLPTFJDSA-N 1 2 347.463 1.816 20 30 EDEDLO CCN1CCN(C(=O)NCc2ncccc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330005797 444808816 /nfs/dbraw/zinc/80/88/16/444808816.db2.gz CGCUGFDYEKYLPD-OAHLLOKOSA-N 1 2 328.420 1.906 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3CCC(NC(=O)C4CC4)CC3)C[C@@H]21 ZINC000330010240 444809979 /nfs/dbraw/zinc/80/99/79/444809979.db2.gz HXENXFCZQJQFJJ-SSHXOBKSSA-N 1 2 335.448 1.453 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3CCC(NC(=O)C4CC4)CC3)C[C@@H]21 ZINC000330010240 444809984 /nfs/dbraw/zinc/80/99/84/444809984.db2.gz HXENXFCZQJQFJJ-SSHXOBKSSA-N 1 2 335.448 1.453 20 30 EDEDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cn([C@H]2CCOC2)nn1 ZINC000330064241 444831482 /nfs/dbraw/zinc/83/14/82/444831482.db2.gz QXHKSLVDCWGANT-AWEZNQCLSA-N 1 2 342.403 1.740 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000336908911 444846529 /nfs/dbraw/zinc/84/65/29/444846529.db2.gz VVXJCLGCANXSCM-UHFFFAOYSA-N 1 2 338.477 1.973 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000336908911 444846534 /nfs/dbraw/zinc/84/65/34/444846534.db2.gz VVXJCLGCANXSCM-UHFFFAOYSA-N 1 2 338.477 1.973 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000336914829 444849916 /nfs/dbraw/zinc/84/99/16/444849916.db2.gz LYKNCXTYVZQOQB-UHFFFAOYSA-N 1 2 347.444 1.501 20 30 EDEDLO C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H]1OCCc2sccc21 ZINC000330182885 444877088 /nfs/dbraw/zinc/87/70/88/444877088.db2.gz HNQZFIPYVVDXBQ-ZOWXZIJZSA-N 1 2 339.461 1.585 20 30 EDEDLO C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]1OCCc2sccc21 ZINC000330182885 444877091 /nfs/dbraw/zinc/87/70/91/444877091.db2.gz HNQZFIPYVVDXBQ-ZOWXZIJZSA-N 1 2 339.461 1.585 20 30 EDEDLO C=CCCCN(C)C(=O)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000342709140 444827425 /nfs/dbraw/zinc/82/74/25/444827425.db2.gz XHOKUWSNFVEGFE-UHFFFAOYSA-N 1 2 332.326 1.486 20 30 EDEDLO COc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c2cccnc12 ZINC000330260065 444911472 /nfs/dbraw/zinc/91/14/72/444911472.db2.gz NXILWXAKQCTDHZ-ZBFHGGJFSA-N 1 2 342.399 1.804 20 30 EDEDLO COc1ccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c2cccnc12 ZINC000330260065 444911473 /nfs/dbraw/zinc/91/14/73/444911473.db2.gz NXILWXAKQCTDHZ-ZBFHGGJFSA-N 1 2 342.399 1.804 20 30 EDEDLO C[C@H](C(=O)NCc1[nH+]ccn1CCc1ccccc1)n1cnc(C#N)n1 ZINC000337046892 444916430 /nfs/dbraw/zinc/91/64/30/444916430.db2.gz LQKMRARNMNNSMX-CQSZACIVSA-N 1 2 349.398 1.466 20 30 EDEDLO O=S1(=O)C[C@H](NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000330283697 444922623 /nfs/dbraw/zinc/92/26/23/444922623.db2.gz WKUURQRNXNTXSQ-AAEUAGOBSA-N 1 2 346.412 1.230 20 30 EDEDLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000330298685 444927922 /nfs/dbraw/zinc/92/79/22/444927922.db2.gz LVABJAZIQABELM-IAQYHMDHSA-N 1 2 330.392 1.436 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000330369752 444955878 /nfs/dbraw/zinc/95/58/78/444955878.db2.gz CFWWSLYRLUDLRC-RBSFLKMASA-N 1 2 339.465 1.492 20 30 EDEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)CCNC(=O)N(C)C ZINC000330550398 445030230 /nfs/dbraw/zinc/03/02/30/445030230.db2.gz DTYOZVBXHDOWRS-ZIAGYGMSSA-N 1 2 333.436 1.088 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2c(C)nn(C)c2C)C1=O ZINC000337228751 444995031 /nfs/dbraw/zinc/99/50/31/444995031.db2.gz RGIQPEFCTUBRDV-KGLIPLIRSA-N 1 2 333.436 1.083 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2c(C)nn(C)c2C)C1=O 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/nfs/dbraw/zinc/23/34/31/445233431.db2.gz OZKXCWLTPXOOGA-IAGOWNOFSA-N 1 2 338.473 1.944 20 30 EDEDLO C=C(C)CS(=O)(=O)NC[C@H]1OCC[N@H+](CC)[C@@H]1c1ccccc1 ZINC000343493789 445233433 /nfs/dbraw/zinc/23/34/33/445233433.db2.gz OZKXCWLTPXOOGA-IAGOWNOFSA-N 1 2 338.473 1.944 20 30 EDEDLO COc1ccccc1N(CCC(N)=O)C(=O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000347696446 445245375 /nfs/dbraw/zinc/24/53/75/445245375.db2.gz BLMRGMHEKBEJGF-KGLIPLIRSA-N 1 2 344.415 1.185 20 30 EDEDLO Cn1ncc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1C#N ZINC000354606355 445311635 /nfs/dbraw/zinc/31/16/35/445311635.db2.gz RYAABFQUXQCABE-UHFFFAOYSA-N 1 2 338.415 1.997 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](CCCCF)CC1 ZINC000351845307 445340877 /nfs/dbraw/zinc/34/08/77/445340877.db2.gz SCDKUMMNRCVNDV-UHFFFAOYSA-N 1 2 325.409 1.614 20 30 EDEDLO CN(C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)c1ccc(C#N)[nH]1 ZINC000351928242 445381344 /nfs/dbraw/zinc/38/13/44/445381344.db2.gz GYESHSBIJWZIHW-GXTWGEPZSA-N 1 2 344.394 1.304 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000352008314 445434484 /nfs/dbraw/zinc/43/44/84/445434484.db2.gz OSEUUUZPWYBJOO-RKVPGOIHSA-N 1 2 342.443 1.680 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355101666 445443975 /nfs/dbraw/zinc/44/39/75/445443975.db2.gz JBFNBSUBXFTTPE-MRXNPFEDSA-N 1 2 341.459 1.888 20 30 EDEDLO Cc1[nH]nc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1C#N ZINC000357238745 445500494 /nfs/dbraw/zinc/50/04/94/445500494.db2.gz GGMRVVDMSKBWJT-UHFFFAOYSA-N 1 2 325.372 1.674 20 30 EDEDLO Cc1nc(N2CC[NH+](Cc3cnn(C)c3)CC2)c(Cl)cc1C#N ZINC000360067881 445551995 /nfs/dbraw/zinc/55/19/95/445551995.db2.gz YOSAGZSKXNBYRZ-UHFFFAOYSA-N 1 2 330.823 1.971 20 30 EDEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC1(CS(C)(=O)=O)CC1 ZINC000352808589 445557264 /nfs/dbraw/zinc/55/72/64/445557264.db2.gz ZCSNXMBVORNDPX-UHFFFAOYSA-N 1 2 327.446 1.975 20 30 EDEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1(CS(C)(=O)=O)CC1 ZINC000352808589 445557266 /nfs/dbraw/zinc/55/72/66/445557266.db2.gz ZCSNXMBVORNDPX-UHFFFAOYSA-N 1 2 327.446 1.975 20 30 EDEDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000356083907 445609597 /nfs/dbraw/zinc/60/95/97/445609597.db2.gz KKNHJVLXHVZXDJ-LBPRGKRZSA-N 1 2 328.463 1.309 20 30 EDEDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356083907 445609601 /nfs/dbraw/zinc/60/96/01/445609601.db2.gz KKNHJVLXHVZXDJ-LBPRGKRZSA-N 1 2 328.463 1.309 20 30 EDEDLO C[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)[NH+]1CCN(C)CC1 ZINC000356113612 445629176 /nfs/dbraw/zinc/62/91/76/445629176.db2.gz QPBSPTDSXYCTPZ-AEFFLSMTSA-N 1 2 328.460 1.826 20 30 EDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@H+]1C ZINC000356057719 445595238 /nfs/dbraw/zinc/59/52/38/445595238.db2.gz BVHLAJHSKYMKOZ-ZJUUUORDSA-N 1 2 329.372 1.550 20 30 EDEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1C ZINC000356057719 445595239 /nfs/dbraw/zinc/59/52/39/445595239.db2.gz BVHLAJHSKYMKOZ-ZJUUUORDSA-N 1 2 329.372 1.550 20 30 EDEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000362888454 445597359 /nfs/dbraw/zinc/59/73/59/445597359.db2.gz ITRYLRNUWTVFAE-ZWKOTPCHSA-N 1 2 342.443 1.800 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1C#N ZINC000349777934 445675129 /nfs/dbraw/zinc/67/51/29/445675129.db2.gz OMZWZNVKJJYGHJ-PWSUYJOCSA-N 1 2 332.429 1.689 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1C#N ZINC000349777934 445675130 /nfs/dbraw/zinc/67/51/30/445675130.db2.gz OMZWZNVKJJYGHJ-PWSUYJOCSA-N 1 2 332.429 1.689 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+]([C@H](C)C(=O)N3CCCCC3)CC2)c1C#N ZINC000349913552 445719990 /nfs/dbraw/zinc/71/99/90/445719990.db2.gz REFDQAWLBNQAEG-OAHLLOKOSA-N 1 2 344.463 1.123 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000349978422 445740716 /nfs/dbraw/zinc/74/07/16/445740716.db2.gz UDRPMIFCYUXDEN-UHFFFAOYSA-N 1 2 332.404 1.323 20 30 EDEDLO C=CCNC(=O)Cc1noc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000350726275 445889228 /nfs/dbraw/zinc/88/92/28/445889228.db2.gz IAFLFFHFKXQIEA-OAHLLOKOSA-N 1 2 342.399 1.488 20 30 EDEDLO C=CCNC(=O)Cc1noc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000350726275 445889232 /nfs/dbraw/zinc/88/92/32/445889232.db2.gz IAFLFFHFKXQIEA-OAHLLOKOSA-N 1 2 342.399 1.488 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000356704230 445951036 /nfs/dbraw/zinc/95/10/36/445951036.db2.gz RMWGCSOGFJBNIV-ZENOOKHLSA-N 1 2 341.477 1.410 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000356704230 445951041 /nfs/dbraw/zinc/95/10/41/445951041.db2.gz RMWGCSOGFJBNIV-ZENOOKHLSA-N 1 2 341.477 1.410 20 30 EDEDLO C=CCCn1cc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)nn1 ZINC000351281984 446023751 /nfs/dbraw/zinc/02/37/51/446023751.db2.gz AOOPVHHUIUWJES-JSGCOSHPSA-N 1 2 330.392 1.830 20 30 EDEDLO C=CCCn1cc(-c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)nn1 ZINC000351281984 446023759 /nfs/dbraw/zinc/02/37/59/446023759.db2.gz AOOPVHHUIUWJES-JSGCOSHPSA-N 1 2 330.392 1.830 20 30 EDEDLO N#Cc1cnn2cc(CN3CCCC[C@H]3C[NH+]3CCOCC3)cnc12 ZINC000583935221 326169681 /nfs/dbraw/zinc/16/96/81/326169681.db2.gz XXAFJBAHIFITID-KRWDZBQOSA-N 1 2 340.431 1.288 20 30 EDEDLO Cc1noc(C)c1C[N@@H+]1C[C@H](F)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000351539439 446140558 /nfs/dbraw/zinc/14/05/58/446140558.db2.gz AQYTUGWWMICXSB-OCCSQVGLSA-N 1 2 345.378 1.834 20 30 EDEDLO Cc1noc(C)c1C[N@H+]1C[C@H](F)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000351539439 446140562 /nfs/dbraw/zinc/14/05/62/446140562.db2.gz AQYTUGWWMICXSB-OCCSQVGLSA-N 1 2 345.378 1.834 20 30 EDEDLO C#CCOc1ccc(C[NH+]2CC(n3cc(C(C)(C)O)nn3)C2)cc1 ZINC000369853357 446160504 /nfs/dbraw/zinc/16/05/04/446160504.db2.gz QMQYLMAFGPQJDM-UHFFFAOYSA-N 1 2 326.400 1.574 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)N1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000369924386 446168725 /nfs/dbraw/zinc/16/87/25/446168725.db2.gz SHZORGJMWURZIM-OAHLLOKOSA-N 1 2 336.480 1.679 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)N1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000369924386 446168730 /nfs/dbraw/zinc/16/87/30/446168730.db2.gz SHZORGJMWURZIM-OAHLLOKOSA-N 1 2 336.480 1.679 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)c2cc(C#N)cc(N(C)C)c2)CCO1 ZINC000351602072 446198692 /nfs/dbraw/zinc/19/86/92/446198692.db2.gz KNTCPHOLKTZDTJ-KRWDZBQOSA-N 1 2 330.432 1.465 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cc(N(C)C)c2)CCO1 ZINC000351602072 446198697 /nfs/dbraw/zinc/19/86/97/446198697.db2.gz KNTCPHOLKTZDTJ-KRWDZBQOSA-N 1 2 330.432 1.465 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000370610843 446357487 /nfs/dbraw/zinc/35/74/87/446357487.db2.gz QXGNXGQOSASRAD-PBHICJAKSA-N 1 2 328.416 1.292 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000411138940 446408214 /nfs/dbraw/zinc/40/82/14/446408214.db2.gz XBNLNCCPMGOCAC-GDBMZVCRSA-N 1 2 336.457 1.366 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000411138940 446408222 /nfs/dbraw/zinc/40/82/22/446408222.db2.gz XBNLNCCPMGOCAC-GDBMZVCRSA-N 1 2 336.457 1.366 20 30 EDEDLO CCN1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000376462614 446512437 /nfs/dbraw/zinc/51/24/37/446512437.db2.gz PYQAEGFDHJKAGE-AWEZNQCLSA-N 1 2 341.375 1.655 20 30 EDEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000367179674 446518859 /nfs/dbraw/zinc/51/88/59/446518859.db2.gz POLLGQCJZDSAMC-GFCCVEGCSA-N 1 2 325.438 1.130 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000367615369 446566732 /nfs/dbraw/zinc/56/67/32/446566732.db2.gz AQLLUWMOASXLDK-CLCXKQKWSA-N 1 2 340.427 1.053 20 30 EDEDLO C[C@H](CN1CCOCC1)[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000367615369 446566735 /nfs/dbraw/zinc/56/67/35/446566735.db2.gz AQLLUWMOASXLDK-CLCXKQKWSA-N 1 2 340.427 1.053 20 30 EDEDLO C[C@H](CN1CCOCC1)[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000367615369 446566743 /nfs/dbraw/zinc/56/67/43/446566743.db2.gz AQLLUWMOASXLDK-CLCXKQKWSA-N 1 2 340.427 1.053 20 30 EDEDLO COCC[N@H+](CCC1(C#N)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000411405813 446523327 /nfs/dbraw/zinc/52/33/27/446523327.db2.gz AWDCJRYTHPTQRC-OAHLLOKOSA-N 1 2 328.478 1.986 20 30 EDEDLO COCC[N@@H+](CCC1(C#N)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000411405813 446523334 /nfs/dbraw/zinc/52/33/34/446523334.db2.gz AWDCJRYTHPTQRC-OAHLLOKOSA-N 1 2 328.478 1.986 20 30 EDEDLO COc1cc(OC)cc(-n2nnnc2C[N@H+](C)CCCCC#N)c1 ZINC000434979963 446671625 /nfs/dbraw/zinc/67/16/25/446671625.db2.gz ZAZSEEPSANMTSK-UHFFFAOYSA-N 1 2 330.392 1.805 20 30 EDEDLO COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)CCCCC#N)c1 ZINC000434979963 446671631 /nfs/dbraw/zinc/67/16/31/446671631.db2.gz ZAZSEEPSANMTSK-UHFFFAOYSA-N 1 2 330.392 1.805 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000438446149 446794005 /nfs/dbraw/zinc/79/40/05/446794005.db2.gz LPWSAIYACBBQLY-KSSFIOAISA-N 1 2 348.447 1.256 20 30 EDEDLO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000376949989 446816349 /nfs/dbraw/zinc/81/63/49/446816349.db2.gz QFZWMVKRLHVNGO-HZPDHXFCSA-N 1 2 337.464 1.028 20 30 EDEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000440267960 446840756 /nfs/dbraw/zinc/84/07/56/446840756.db2.gz ODYJWKDEYGGLEL-AWEZNQCLSA-N 1 2 344.415 1.470 20 30 EDEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000440267960 446840760 /nfs/dbraw/zinc/84/07/60/446840760.db2.gz ODYJWKDEYGGLEL-AWEZNQCLSA-N 1 2 344.415 1.470 20 30 EDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000440404003 446842975 /nfs/dbraw/zinc/84/29/75/446842975.db2.gz TWQINXANOIKHIX-HNNXBMFYSA-N 1 2 326.849 1.705 20 30 EDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000440404003 446842981 /nfs/dbraw/zinc/84/29/81/446842981.db2.gz TWQINXANOIKHIX-HNNXBMFYSA-N 1 2 326.849 1.705 20 30 EDEDLO C[C@@H](O)[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000412097214 446856808 /nfs/dbraw/zinc/85/68/08/446856808.db2.gz SXHKUFAVSIULSD-DYVFJYSZSA-N 1 2 326.400 1.540 20 30 EDEDLO C[C@@H](O)[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000412097214 446856817 /nfs/dbraw/zinc/85/68/17/446856817.db2.gz SXHKUFAVSIULSD-DYVFJYSZSA-N 1 2 326.400 1.540 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000377099522 446919005 /nfs/dbraw/zinc/91/90/05/446919005.db2.gz XAHOUIXSFYAMQT-GFCCVEGCSA-N 1 2 342.428 1.810 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000377099522 446919007 /nfs/dbraw/zinc/91/90/07/446919007.db2.gz XAHOUIXSFYAMQT-GFCCVEGCSA-N 1 2 342.428 1.810 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000375609400 446922395 /nfs/dbraw/zinc/92/23/95/446922395.db2.gz YXTXQQUYYNTWRK-ZRGWGRIASA-N 1 2 340.427 1.053 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000375609400 446922400 /nfs/dbraw/zinc/92/24/00/446922400.db2.gz YXTXQQUYYNTWRK-ZRGWGRIASA-N 1 2 340.427 1.053 20 30 EDEDLO C[C@@H]1COCCN1CC[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000375609400 446922408 /nfs/dbraw/zinc/92/24/08/446922408.db2.gz YXTXQQUYYNTWRK-ZRGWGRIASA-N 1 2 340.427 1.053 20 30 EDEDLO C[C@@H]1COCCN1CC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000375609400 446922413 /nfs/dbraw/zinc/92/24/13/446922413.db2.gz YXTXQQUYYNTWRK-ZRGWGRIASA-N 1 2 340.427 1.053 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1=O ZINC000375637247 446942952 /nfs/dbraw/zinc/94/29/52/446942952.db2.gz WTOMVCACFZFKDL-GJZGRUSLSA-N 1 2 345.447 1.497 20 30 EDEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413140464 447028580 /nfs/dbraw/zinc/02/85/80/447028580.db2.gz WUZYDJZORRMJIB-UHFFFAOYSA-N 1 2 328.395 1.765 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000377457957 447142734 /nfs/dbraw/zinc/14/27/34/447142734.db2.gz DSQFPOMGBXNSHR-CZUORRHYSA-N 1 2 341.415 1.375 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000377457957 447142737 /nfs/dbraw/zinc/14/27/37/447142737.db2.gz DSQFPOMGBXNSHR-CZUORRHYSA-N 1 2 341.415 1.375 20 30 EDEDLO COCC[NH+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455642177 447195046 /nfs/dbraw/zinc/19/50/46/447195046.db2.gz QRGLLWSLLNQEFD-UHFFFAOYSA-N 1 2 329.444 1.918 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCC#Cc1cccc(F)c1 ZINC000413529604 447207592 /nfs/dbraw/zinc/20/75/92/447207592.db2.gz ILHUBKRZOVUTEU-UHFFFAOYSA-N 1 2 333.407 1.587 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000413611093 447214858 /nfs/dbraw/zinc/21/48/58/447214858.db2.gz WTAGILGSJAHUGL-UHFFFAOYSA-N 1 2 334.395 1.607 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@H+]3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)o2)cc1 ZINC000368974586 447239960 /nfs/dbraw/zinc/23/99/60/447239960.db2.gz OHIILDFLDFIVQC-LZWOXQAQSA-N 1 2 337.383 1.694 20 30 EDEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)o2)cc1 ZINC000368974586 447239962 /nfs/dbraw/zinc/23/99/62/447239962.db2.gz OHIILDFLDFIVQC-LZWOXQAQSA-N 1 2 337.383 1.694 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000414101041 447274169 /nfs/dbraw/zinc/27/41/69/447274169.db2.gz BMAFWMFBITYQPL-MRXNPFEDSA-N 1 2 336.395 1.756 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1cnc2cc3ccccc3cc2c1=O ZINC000414101041 447274174 /nfs/dbraw/zinc/27/41/74/447274174.db2.gz BMAFWMFBITYQPL-MRXNPFEDSA-N 1 2 336.395 1.756 20 30 EDEDLO C[C@@H](c1ccccc1)[C@H](O)C[N@H+](CCC#N)CCN1CCOCC1 ZINC000450463064 447497500 /nfs/dbraw/zinc/49/75/00/447497500.db2.gz LVSJXMJGIQQHLO-PKOBYXMFSA-N 1 2 331.460 1.699 20 30 EDEDLO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](CCC#N)CCN1CCOCC1 ZINC000450463064 447497504 /nfs/dbraw/zinc/49/75/04/447497504.db2.gz LVSJXMJGIQQHLO-PKOBYXMFSA-N 1 2 331.460 1.699 20 30 EDEDLO C[C@@H](c1ccccc1)[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000450463064 447497509 /nfs/dbraw/zinc/49/75/09/447497509.db2.gz LVSJXMJGIQQHLO-PKOBYXMFSA-N 1 2 331.460 1.699 20 30 EDEDLO COCCN(CC#N)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000457199646 447538599 /nfs/dbraw/zinc/53/85/99/447538599.db2.gz CLTFGBCJPVNISQ-UHFFFAOYSA-N 1 2 329.316 1.393 20 30 EDEDLO CN(Cc1[nH+]ccn1C)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000450999481 447646991 /nfs/dbraw/zinc/64/69/91/447646991.db2.gz LQECQNDQBITVTN-UHFFFAOYSA-N 1 2 338.820 1.960 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000450888130 447605269 /nfs/dbraw/zinc/60/52/69/447605269.db2.gz ZTVSYNDACSPAPQ-CQSZACIVSA-N 1 2 339.399 1.949 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000408084081 447627355 /nfs/dbraw/zinc/62/73/55/447627355.db2.gz MOQLWKKARIPMTH-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000408084081 447627357 /nfs/dbraw/zinc/62/73/57/447627357.db2.gz MOQLWKKARIPMTH-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO CC1(C)CCCN(S(=O)(=O)CCC[NH+]2CCOCC2)[C@@H]1C#N ZINC000408403198 447657615 /nfs/dbraw/zinc/65/76/15/447657615.db2.gz SYOLWOKCLRUPTI-CQSZACIVSA-N 1 2 329.466 1.053 20 30 EDEDLO CCC[N@H+](CC(N)=O)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000429128144 447728721 /nfs/dbraw/zinc/72/87/21/447728721.db2.gz ODENLKZGVWJMFD-UHFFFAOYSA-N 1 2 336.823 1.784 20 30 EDEDLO CCC[N@@H+](CC(N)=O)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000429128144 447728725 /nfs/dbraw/zinc/72/87/25/447728725.db2.gz ODENLKZGVWJMFD-UHFFFAOYSA-N 1 2 336.823 1.784 20 30 EDEDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000451983479 447796963 /nfs/dbraw/zinc/79/69/63/447796963.db2.gz KUYHLERBNNUUIP-CQSZACIVSA-N 1 2 335.452 1.065 20 30 EDEDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000451983479 447796966 /nfs/dbraw/zinc/79/69/66/447796966.db2.gz KUYHLERBNNUUIP-CQSZACIVSA-N 1 2 335.452 1.065 20 30 EDEDLO C=C[C@H]1CCCCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000488513846 447848140 /nfs/dbraw/zinc/84/81/40/447848140.db2.gz LQJKAXYIHIJECJ-INIZCTEOSA-N 1 2 333.436 1.788 20 30 EDEDLO C#CC[N@@H+](CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490853796 447900044 /nfs/dbraw/zinc/90/00/44/447900044.db2.gz UUJUUPFEIVTUPT-OAHLLOKOSA-N 1 2 325.405 1.717 20 30 EDEDLO C#CC[N@H+](CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000490853796 447900049 /nfs/dbraw/zinc/90/00/49/447900049.db2.gz UUJUUPFEIVTUPT-OAHLLOKOSA-N 1 2 325.405 1.717 20 30 EDEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000524906995 447959989 /nfs/dbraw/zinc/95/99/89/447959989.db2.gz JEOGQILGSNSMIR-UHFFFAOYSA-N 1 2 329.400 1.500 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cn2[nH]c(C(C)(C)C)nc2=S)CC1 ZINC000491118525 447928465 /nfs/dbraw/zinc/92/84/65/447928465.db2.gz DZFBPEFZVBDEDY-UHFFFAOYSA-N 1 2 335.477 1.657 20 30 EDEDLO C#CC[NH+]1CCN(CN2C[C@@](C)(Cc3ccccc3)CC2=O)CC1 ZINC000491568271 448059327 /nfs/dbraw/zinc/05/93/27/448059327.db2.gz PYZDLGPKZIEGJK-FQEVSTJZSA-N 1 2 325.456 1.676 20 30 EDEDLO C=CCCCS(=O)(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000555557553 448087674 /nfs/dbraw/zinc/08/76/74/448087674.db2.gz IDAAJYPKZDTCOA-UHFFFAOYSA-N 1 2 337.489 1.694 20 30 EDEDLO C=C(C)CONC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496983058 448096725 /nfs/dbraw/zinc/09/67/25/448096725.db2.gz YBPVUTBSIOCWTH-CYBMUJFWSA-N 1 2 342.440 1.344 20 30 EDEDLO C=C(C)CONC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496983058 448096730 /nfs/dbraw/zinc/09/67/30/448096730.db2.gz YBPVUTBSIOCWTH-CYBMUJFWSA-N 1 2 342.440 1.344 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CSCC(=O)OC2CCCCC2)CC1 ZINC000491788357 448122876 /nfs/dbraw/zinc/12/28/76/448122876.db2.gz XACDIRNPSOGVDZ-UHFFFAOYSA-N 1 2 338.473 1.373 20 30 EDEDLO C=CCN(C(=O)c1ccc2[nH+]c(C)n(C)c2c1)[C@H]1CCS(=O)(=O)C1 ZINC000526987957 448132849 /nfs/dbraw/zinc/13/28/49/448132849.db2.gz NILGATLCVXINJB-AWEZNQCLSA-N 1 2 347.440 1.697 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000558571119 448197895 /nfs/dbraw/zinc/19/78/95/448197895.db2.gz HDQVXCBCRPHUIP-FUHWJXTLSA-N 1 2 345.443 1.625 20 30 EDEDLO N#Cc1ccc(/C=C/C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1 ZINC000492318721 448204558 /nfs/dbraw/zinc/20/45/58/448204558.db2.gz IXJQKVOSLSTXNB-FUTAKVPZSA-N 1 2 339.395 1.468 20 30 EDEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000527128479 448166053 /nfs/dbraw/zinc/16/60/53/448166053.db2.gz KBGCRULNGGDIPU-OAHLLOKOSA-N 1 2 326.400 1.286 20 30 EDEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000527128479 448166056 /nfs/dbraw/zinc/16/60/56/448166056.db2.gz KBGCRULNGGDIPU-OAHLLOKOSA-N 1 2 326.400 1.286 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000562379771 448250017 /nfs/dbraw/zinc/25/00/17/448250017.db2.gz ZBADRXKWAACSKM-INIZCTEOSA-N 1 2 339.443 1.664 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000572350571 448353582 /nfs/dbraw/zinc/35/35/82/448353582.db2.gz SSYGDRMLELWKIH-DIECFANBSA-N 1 2 345.443 1.903 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1 ZINC000516188508 448394870 /nfs/dbraw/zinc/39/48/70/448394870.db2.gz GJKCSWXZXALNJT-UHFFFAOYSA-N 1 2 348.428 1.539 20 30 EDEDLO COCCn1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)cn1 ZINC000516377319 448416481 /nfs/dbraw/zinc/41/64/81/448416481.db2.gz KLTMQUPMRZGIOQ-UHFFFAOYSA-N 1 2 326.404 1.118 20 30 EDEDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528353646 448496446 /nfs/dbraw/zinc/49/64/46/448496446.db2.gz UQQJVPKEBFTXBS-HUUCEWRRSA-N 1 2 326.396 1.785 20 30 EDEDLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000528353646 448496451 /nfs/dbraw/zinc/49/64/51/448496451.db2.gz UQQJVPKEBFTXBS-HUUCEWRRSA-N 1 2 326.396 1.785 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000566623523 448524426 /nfs/dbraw/zinc/52/44/26/448524426.db2.gz MLVWFIWYTUNTGH-OAHLLOKOSA-N 1 2 332.795 1.494 20 30 EDEDLO CCN(C(=O)C[NH+]1CCC(CCC#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000584527548 448557731 /nfs/dbraw/zinc/55/77/31/448557731.db2.gz RTTCVOYDUUUCGT-OAHLLOKOSA-N 1 2 341.477 1.038 20 30 EDEDLO N#CC[C@@]1(O)CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000591903212 448560398 /nfs/dbraw/zinc/56/03/98/448560398.db2.gz KKCDSEOYRYXAFD-GOSISDBHSA-N 1 2 339.399 1.491 20 30 EDEDLO C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c2nccn21 ZINC000578523104 448569911 /nfs/dbraw/zinc/56/99/11/448569911.db2.gz LSBQSLHKZCNRBM-DOMZBBRYSA-N 1 2 330.413 1.824 20 30 EDEDLO Cc1c(C(=O)N[C@](C)(C#N)C[NH+](C)C)nnn1-c1cccc(C)c1 ZINC000573495454 448641893 /nfs/dbraw/zinc/64/18/93/448641893.db2.gz NIOKKIXHVQKZAY-QGZVFWFLSA-N 1 2 326.404 1.458 20 30 EDEDLO N#Cc1cnccc1CN1CCC[N@H+](Cc2ccncc2C#N)CC1 ZINC000592058153 448653467 /nfs/dbraw/zinc/65/34/67/448653467.db2.gz BEAOQUXVLOHDLC-UHFFFAOYSA-N 1 2 332.411 1.928 20 30 EDEDLO N#Cc1cnccc1CN1CCC[N@@H+](Cc2ccncc2C#N)CC1 ZINC000592058153 448653472 /nfs/dbraw/zinc/65/34/72/448653472.db2.gz BEAOQUXVLOHDLC-UHFFFAOYSA-N 1 2 332.411 1.928 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000573444529 448629062 /nfs/dbraw/zinc/62/90/62/448629062.db2.gz DVKJOTKCYNOEOJ-ZDUSSCGKSA-N 1 2 331.401 1.081 20 30 EDEDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000573444529 448629066 /nfs/dbraw/zinc/62/90/66/448629066.db2.gz DVKJOTKCYNOEOJ-ZDUSSCGKSA-N 1 2 331.401 1.081 20 30 EDEDLO C[C@]1(n2cc(C[NH+]3CCC(CC#N)CC3)cn2)CCS(=O)(=O)C1 ZINC000541922419 448703070 /nfs/dbraw/zinc/70/30/70/448703070.db2.gz YURVALFMEZZVAK-INIZCTEOSA-N 1 2 336.461 1.542 20 30 EDEDLO N#CCC1CC[NH+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000541949660 448703898 /nfs/dbraw/zinc/70/38/98/448703898.db2.gz ZWLQPCMUZLLUGL-UHFFFAOYSA-N 1 2 343.366 1.366 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCO1 ZINC000542809051 448722621 /nfs/dbraw/zinc/72/26/21/448722621.db2.gz OTIQSPZIQAWJKE-GUYCJALGSA-N 1 2 339.436 1.085 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCO1 ZINC000542809051 448722626 /nfs/dbraw/zinc/72/26/26/448722626.db2.gz OTIQSPZIQAWJKE-GUYCJALGSA-N 1 2 339.436 1.085 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592145922 448705678 /nfs/dbraw/zinc/70/56/78/448705678.db2.gz BGSBMLNDIAYTNW-SCLBCKFNSA-N 1 2 345.399 1.525 20 30 EDEDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592145922 448705682 /nfs/dbraw/zinc/70/56/82/448705682.db2.gz BGSBMLNDIAYTNW-SCLBCKFNSA-N 1 2 345.399 1.525 20 30 EDEDLO CC1(C#N)CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000573784008 448709933 /nfs/dbraw/zinc/70/99/33/448709933.db2.gz ARYOMVZCUQBERH-UHFFFAOYSA-N 1 2 328.416 1.303 20 30 EDEDLO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](c1nccn1C)c1ccc(F)cc1 ZINC000567679916 448735477 /nfs/dbraw/zinc/73/54/77/448735477.db2.gz IVEDMCXASGSWJP-IRXDYDNUSA-N 1 2 345.422 1.445 20 30 EDEDLO Cn1ccnc1[C@@H](NC[C@H](O)C[N@H+](C)CCC#N)c1ccc(F)cc1 ZINC000567679916 448735481 /nfs/dbraw/zinc/73/54/81/448735481.db2.gz IVEDMCXASGSWJP-IRXDYDNUSA-N 1 2 345.422 1.445 20 30 EDEDLO Cn1ccnc1[C@@H](NC[C@H](O)C[N@@H+](C)CCC#N)c1ccc(F)cc1 ZINC000567679916 448735488 /nfs/dbraw/zinc/73/54/88/448735488.db2.gz IVEDMCXASGSWJP-IRXDYDNUSA-N 1 2 345.422 1.445 20 30 EDEDLO Cc1cc(C#N)cnc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000574416216 448870704 /nfs/dbraw/zinc/87/07/04/448870704.db2.gz KRHXSOSFJIFDPK-UHFFFAOYSA-N 1 2 337.383 1.423 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CCCCCC#N)CC1 ZINC000588639478 448905265 /nfs/dbraw/zinc/90/52/65/448905265.db2.gz GIAHLMRIGNZOEL-INIZCTEOSA-N 1 2 334.464 1.616 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000520834554 448935494 /nfs/dbraw/zinc/93/54/94/448935494.db2.gz GLSSFIHKWOECSH-JFIYKMOQSA-N 1 2 336.480 1.226 20 30 EDEDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000521185164 448959825 /nfs/dbraw/zinc/95/98/25/448959825.db2.gz XWTKNIIYJXLMCK-COXVUDFISA-N 1 2 329.400 1.135 20 30 EDEDLO C[C@@H]1CO[C@H](CO)C[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000521185164 448959828 /nfs/dbraw/zinc/95/98/28/448959828.db2.gz XWTKNIIYJXLMCK-COXVUDFISA-N 1 2 329.400 1.135 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000580066524 448938198 /nfs/dbraw/zinc/93/81/98/448938198.db2.gz SWGOYFUDAKKRGC-HOCLYGCPSA-N 1 2 347.440 1.801 20 30 EDEDLO C[C@@]1(C#N)CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000589487530 449024166 /nfs/dbraw/zinc/02/41/66/449024166.db2.gz SWXHRWXFLLKNAG-SFHVURJKSA-N 1 2 328.416 1.680 20 30 EDEDLO N#Cc1cnccc1Nc1ccc(N2CCN(C(=O)C3CC3)CC2)[nH+]c1 ZINC000548152691 448994003 /nfs/dbraw/zinc/99/40/03/448994003.db2.gz ZZYFNXDYDFCSFL-UHFFFAOYSA-N 1 2 348.410 1.572 20 30 EDEDLO C[C@@H](C#N)N(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000595714661 449128091 /nfs/dbraw/zinc/12/80/91/449128091.db2.gz XUTQYYLCRHFGCV-HNNXBMFYSA-N 1 2 327.432 1.497 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593153571 449153779 /nfs/dbraw/zinc/15/37/79/449153779.db2.gz UPTJLTIDSUAZBC-HNNXBMFYSA-N 1 2 349.232 1.823 20 30 EDEDLO N#CCCN1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000611175898 449202244 /nfs/dbraw/zinc/20/22/44/449202244.db2.gz NOPUWQGVEUMKDQ-GOSISDBHSA-N 1 2 326.444 1.711 20 30 EDEDLO C[C@@H](NC(=O)N1Cc2cccc(C#N)c2C1)[C@@H](C)[NH+]1CCOCC1 ZINC000593340262 449234759 /nfs/dbraw/zinc/23/47/59/449234759.db2.gz XPWHPHWSVKQZCF-ZIAGYGMSSA-N 1 2 328.416 1.693 20 30 EDEDLO N#Cc1cccnc1N1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000601935297 449235996 /nfs/dbraw/zinc/23/59/96/449235996.db2.gz RPWGVLOGCFJYIC-MRXNPFEDSA-N 1 2 325.416 1.229 20 30 EDEDLO CN(C(=O)C[N@H+](C)[C@H]1CCCCN(C)C1=O)C1(C#N)CCCCC1 ZINC000601967791 449249880 /nfs/dbraw/zinc/24/98/80/449249880.db2.gz BRBWWEVIAHTGCK-HNNXBMFYSA-N 1 2 334.464 1.614 20 30 EDEDLO CN(C(=O)C[N@@H+](C)[C@H]1CCCCN(C)C1=O)C1(C#N)CCCCC1 ZINC000601967791 449249885 /nfs/dbraw/zinc/24/98/85/449249885.db2.gz BRBWWEVIAHTGCK-HNNXBMFYSA-N 1 2 334.464 1.614 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000604564370 449258207 /nfs/dbraw/zinc/25/82/07/449258207.db2.gz JRICKEJLLGNCJJ-UHFFFAOYSA-N 1 2 340.387 1.359 20 30 EDEDLO CO[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)C(F)(F)F ZINC000593444749 449287721 /nfs/dbraw/zinc/28/77/21/449287721.db2.gz YJHAYOBMIPFFLE-GFCCVEGCSA-N 1 2 337.342 1.028 20 30 EDEDLO C=CCCn1cc(C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)nn1 ZINC000593970640 449308813 /nfs/dbraw/zinc/30/88/13/449308813.db2.gz UVPHCCPXIIQWKE-UHFFFAOYSA-N 1 2 345.407 1.069 20 30 EDEDLO COC(=O)Cc1cc[nH+]c(N2CCN(c3ncccc3C#N)CC2)c1 ZINC000596063334 449342448 /nfs/dbraw/zinc/34/24/48/449342448.db2.gz PIEBWPVZYFXPJN-UHFFFAOYSA-N 1 2 337.383 1.390 20 30 EDEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000590939893 449351282 /nfs/dbraw/zinc/35/12/82/449351282.db2.gz PXSWPYYFQUIJHP-SOLBZPMBSA-N 1 2 340.427 1.708 20 30 EDEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000590939893 449351287 /nfs/dbraw/zinc/35/12/87/449351287.db2.gz PXSWPYYFQUIJHP-SOLBZPMBSA-N 1 2 340.427 1.708 20 30 EDEDLO Cn1ncc(C#N)c1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000596097157 449360476 /nfs/dbraw/zinc/36/04/76/449360476.db2.gz FMBUFJTUEQLLKF-UHFFFAOYSA-N 1 2 341.415 1.615 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000600422645 449366847 /nfs/dbraw/zinc/36/68/47/449366847.db2.gz WUNPCFXQASLMKG-NVXWUHKLSA-N 1 2 331.416 1.408 20 30 EDEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000600422645 449366852 /nfs/dbraw/zinc/36/68/52/449366852.db2.gz WUNPCFXQASLMKG-NVXWUHKLSA-N 1 2 331.416 1.408 20 30 EDEDLO COC(=O)C(C)(C)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000596201388 449410770 /nfs/dbraw/zinc/41/07/70/449410770.db2.gz VDNMPYOQELDION-UHFFFAOYSA-N 1 2 346.387 1.849 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](CC(=O)N1CCN(CCC#N)CC1)C(F)(F)F ZINC000602202921 449430900 /nfs/dbraw/zinc/43/09/00/449430900.db2.gz OASGOEGKULOXLK-GFCCVEGCSA-N 1 2 343.353 1.514 20 30 EDEDLO CC[N@@H+](Cc1cn(C)nn1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611693169 449385515 /nfs/dbraw/zinc/38/55/15/449385515.db2.gz DRZIBOFXVAQUMF-MRXNPFEDSA-N 1 2 329.404 1.143 20 30 EDEDLO CC[N@H+](Cc1cn(C)nn1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611693169 449385519 /nfs/dbraw/zinc/38/55/19/449385519.db2.gz DRZIBOFXVAQUMF-MRXNPFEDSA-N 1 2 329.404 1.143 20 30 EDEDLO Cc1cc(N2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c(C#N)c[nH+]1 ZINC000596346359 449479129 /nfs/dbraw/zinc/47/91/29/449479129.db2.gz WHYGNZVIUBDLMK-JQWIXIFHSA-N 1 2 333.335 1.673 20 30 EDEDLO N#Cc1cncc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)n1 ZINC000596515366 449536673 /nfs/dbraw/zinc/53/66/73/449536673.db2.gz NSNYSYYSKZBTEM-SFHVURJKSA-N 1 2 339.399 1.024 20 30 EDEDLO N#Cc1cncc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)n1 ZINC000596515366 449536678 /nfs/dbraw/zinc/53/66/78/449536678.db2.gz NSNYSYYSKZBTEM-SFHVURJKSA-N 1 2 339.399 1.024 20 30 EDEDLO CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000598625009 449503470 /nfs/dbraw/zinc/50/34/70/449503470.db2.gz JSWWIRCDNBJTTN-DCAQKATOSA-N 1 2 342.383 1.194 20 30 EDEDLO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000598625009 449503474 /nfs/dbraw/zinc/50/34/74/449503474.db2.gz JSWWIRCDNBJTTN-DCAQKATOSA-N 1 2 342.383 1.194 20 30 EDEDLO COc1c(N)[nH+]cnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000594544642 449569471 /nfs/dbraw/zinc/56/94/71/449569471.db2.gz NHEVVJGVYSIDPF-UHFFFAOYSA-N 1 2 341.375 1.131 20 30 EDEDLO COc1c(N)nc[nH+]c1N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000594544642 449569477 /nfs/dbraw/zinc/56/94/77/449569477.db2.gz NHEVVJGVYSIDPF-UHFFFAOYSA-N 1 2 341.375 1.131 20 30 EDEDLO N#C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCN1Cc1ccccc1 ZINC000614307769 449555451 /nfs/dbraw/zinc/55/54/51/449555451.db2.gz DKQXJKWWRXLNSP-ZWKOTPCHSA-N 1 2 349.438 1.682 20 30 EDEDLO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](CC#N)C3)C2=O)cn1 ZINC000594659294 449614125 /nfs/dbraw/zinc/61/41/25/449614125.db2.gz BOGAADNZLZNLQR-GXTWGEPZSA-N 1 2 328.372 1.348 20 30 EDEDLO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](CC#N)C3)C2=O)cn1 ZINC000594659294 449614132 /nfs/dbraw/zinc/61/41/32/449614132.db2.gz BOGAADNZLZNLQR-GXTWGEPZSA-N 1 2 328.372 1.348 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000598836475 449615154 /nfs/dbraw/zinc/61/51/54/449615154.db2.gz KGBINSKXPZELOK-XPTSAGLGSA-N 1 2 343.353 1.493 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601101344 449690429 /nfs/dbraw/zinc/69/04/29/449690429.db2.gz LLWXBQBBVCTKHN-LBPRGKRZSA-N 1 2 340.431 1.015 20 30 EDEDLO N#Cc1c(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)nc2ccccn21 ZINC000599183447 449783407 /nfs/dbraw/zinc/78/34/07/449783407.db2.gz NUJHHEMZOIHCOP-INIZCTEOSA-N 1 2 348.410 1.914 20 30 EDEDLO N#Cc1c(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)nc2ccccn21 ZINC000599183447 449783412 /nfs/dbraw/zinc/78/34/12/449783412.db2.gz NUJHHEMZOIHCOP-INIZCTEOSA-N 1 2 348.410 1.914 20 30 EDEDLO N#Cc1cc(N(CC[NH+]2CCOCC2)CC2CC2)nc(C2CC2)n1 ZINC000601195714 449744661 /nfs/dbraw/zinc/74/46/61/449744661.db2.gz ALUDZGVGILSLKH-UHFFFAOYSA-N 1 2 327.432 1.774 20 30 EDEDLO N#Cc1cccc(C[N@H+](CCN2CCOCC2)Cc2ccco2)n1 ZINC000602684916 449748644 /nfs/dbraw/zinc/74/86/44/449748644.db2.gz ANTJAKWAOOFXTH-UHFFFAOYSA-N 1 2 326.400 1.881 20 30 EDEDLO N#Cc1cccc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)n1 ZINC000602684916 449748650 /nfs/dbraw/zinc/74/86/50/449748650.db2.gz ANTJAKWAOOFXTH-UHFFFAOYSA-N 1 2 326.400 1.881 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc3nsnc32)C[C@H](C)N1CC#N ZINC000602862187 449870765 /nfs/dbraw/zinc/87/07/65/449870765.db2.gz MVICDVVFDPBASS-TXEJJXNPSA-N 1 2 344.444 1.548 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2cccc3nsnc32)C[C@H](C)N1CC#N ZINC000602862187 449870776 /nfs/dbraw/zinc/87/07/76/449870776.db2.gz MVICDVVFDPBASS-TXEJJXNPSA-N 1 2 344.444 1.548 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)N1CC#N ZINC000602867263 449876914 /nfs/dbraw/zinc/87/69/14/449876914.db2.gz XSRIYOQLIIGPOS-BETUJISGSA-N 1 2 330.388 1.272 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@H](C)N1CC#N ZINC000602867263 449876921 /nfs/dbraw/zinc/87/69/21/449876921.db2.gz XSRIYOQLIIGPOS-BETUJISGSA-N 1 2 330.388 1.272 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000595125645 449885714 /nfs/dbraw/zinc/88/57/14/449885714.db2.gz JERQSMGPHGQMNR-UONOGXRCSA-N 1 2 344.415 1.031 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000595125645 449885715 /nfs/dbraw/zinc/88/57/15/449885715.db2.gz JERQSMGPHGQMNR-UONOGXRCSA-N 1 2 344.415 1.031 20 30 EDEDLO Cn1cc(C2=CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)cn1 ZINC000602886851 449893839 /nfs/dbraw/zinc/89/38/39/449893839.db2.gz JDAHEGPXYNXNRV-UHFFFAOYSA-N 1 2 335.411 1.697 20 30 EDEDLO Cn1cc(C2=CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)cn1 ZINC000602886851 449893844 /nfs/dbraw/zinc/89/38/44/449893844.db2.gz JDAHEGPXYNXNRV-UHFFFAOYSA-N 1 2 335.411 1.697 20 30 EDEDLO CN(C[C@H]1CCn2cc[nH+]c2C1)S(=O)(=O)c1ccccc1CC#N ZINC000601403581 449919143 /nfs/dbraw/zinc/91/91/43/449919143.db2.gz LKNDCFHOQXYTCL-AWEZNQCLSA-N 1 2 344.440 1.832 20 30 EDEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@@](C)(CO)C1 ZINC000602964523 449966558 /nfs/dbraw/zinc/96/65/58/449966558.db2.gz QVNWBPJRMDPUBE-BLLLJJGKSA-N 1 2 337.445 1.647 20 30 EDEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)[C@@](C)(CO)C1 ZINC000602964523 449966563 /nfs/dbraw/zinc/96/65/63/449966563.db2.gz QVNWBPJRMDPUBE-BLLLJJGKSA-N 1 2 337.445 1.647 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000609147682 449967975 /nfs/dbraw/zinc/96/79/75/449967975.db2.gz YNYJKBAICIBBMG-CQSZACIVSA-N 1 2 343.431 1.698 20 30 EDEDLO C[N@H+](CC(=O)NCCCN1CCCCCC1=O)[C@@H]1CCC[C@H]1C#N ZINC000602976359 449976328 /nfs/dbraw/zinc/97/63/28/449976328.db2.gz OLIMTKWZLOYPTC-JKSUJKDBSA-N 1 2 334.464 1.519 20 30 EDEDLO C[N@@H+](CC(=O)NCCCN1CCCCCC1=O)[C@@H]1CCC[C@H]1C#N ZINC000602976359 449976336 /nfs/dbraw/zinc/97/63/36/449976336.db2.gz OLIMTKWZLOYPTC-JKSUJKDBSA-N 1 2 334.464 1.519 20 30 EDEDLO N#Cc1cccc(-c2nnc(CN3CC[NH+](Cc4cn[nH]c4)CC3)o2)c1 ZINC000599438687 449976312 /nfs/dbraw/zinc/97/63/12/449976312.db2.gz GPCOOMAOEIJCNM-UHFFFAOYSA-N 1 2 349.398 1.649 20 30 EDEDLO COc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000602974805 449976743 /nfs/dbraw/zinc/97/67/43/449976743.db2.gz UKCMSOZKICKQTI-LSDHHAIUSA-N 1 2 331.416 1.944 20 30 EDEDLO COc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000602974805 449976748 /nfs/dbraw/zinc/97/67/48/449976748.db2.gz UKCMSOZKICKQTI-LSDHHAIUSA-N 1 2 331.416 1.944 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000599440780 449977909 /nfs/dbraw/zinc/97/79/09/449977909.db2.gz QCSOFIKEBSEFKL-CQSZACIVSA-N 1 2 338.415 1.426 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000603012314 450006074 /nfs/dbraw/zinc/00/60/74/450006074.db2.gz APYFBZMMOVBYRO-HNNXBMFYSA-N 1 2 332.423 1.956 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+]([C@@H]3C[C@H]4CCCC[C@@H]4NC3=O)CC2)c1 ZINC000595291303 450006284 /nfs/dbraw/zinc/00/62/84/450006284.db2.gz PVHHNXWZBTYCJH-IXDOHACOSA-N 1 2 339.443 1.523 20 30 EDEDLO CCOC(=O)C12CC(C1)C[N@@H+]2C[C@H](O)COc1ccccc1C#N ZINC000599481098 450008562 /nfs/dbraw/zinc/00/85/62/450008562.db2.gz HIEQTABYNFBDJK-DBQDNQAGSA-N 1 2 330.384 1.325 20 30 EDEDLO CCOC(=O)C12CC(C1)C[N@H+]2C[C@H](O)COc1ccccc1C#N ZINC000599481098 450008568 /nfs/dbraw/zinc/00/85/68/450008568.db2.gz HIEQTABYNFBDJK-DBQDNQAGSA-N 1 2 330.384 1.325 20 30 EDEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3cnccn3)CC2)cc1 ZINC000595303355 450016641 /nfs/dbraw/zinc/01/66/41/450016641.db2.gz PECJCTUOWNXWOV-UHFFFAOYSA-N 1 2 337.383 1.830 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000609540993 450047437 /nfs/dbraw/zinc/04/74/37/450047437.db2.gz NUAOZFNYNDLYMI-GDBMZVCRSA-N 1 2 340.427 1.972 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000609540993 450047440 /nfs/dbraw/zinc/04/74/40/450047440.db2.gz NUAOZFNYNDLYMI-GDBMZVCRSA-N 1 2 340.427 1.972 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C1(C#N)CC3(CC3)C1)C2 ZINC000601572456 450082524 /nfs/dbraw/zinc/08/25/24/450082524.db2.gz YWAVRZDOZPBZLO-CYBMUJFWSA-N 1 2 328.416 1.241 20 30 EDEDLO C[C@@]1(C#N)CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000595466583 450160753 /nfs/dbraw/zinc/16/07/53/450160753.db2.gz VQPIHDIEABOTSE-HOTGVXAUSA-N 1 2 338.477 1.139 20 30 EDEDLO N#C[C@]1(F)CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000615630913 450174590 /nfs/dbraw/zinc/17/45/90/450174590.db2.gz INKLMLASAJEMHK-MRXNPFEDSA-N 1 2 327.319 1.275 20 30 EDEDLO C=CCCn1cc(C[NH2+][C@@](C)(CC(=O)OC)c2ccncc2)nn1 ZINC000595484186 450175714 /nfs/dbraw/zinc/17/57/14/450175714.db2.gz OPFSPEMNQANZPP-KRWDZBQOSA-N 1 2 329.404 1.817 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000610449593 450223468 /nfs/dbraw/zinc/22/34/68/450223468.db2.gz WBUPELZCMBVICH-MRXNPFEDSA-N 1 2 332.400 1.980 20 30 EDEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000610449593 450223472 /nfs/dbraw/zinc/22/34/72/450223472.db2.gz WBUPELZCMBVICH-MRXNPFEDSA-N 1 2 332.400 1.980 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)C2)nc1 ZINC000597682903 450194373 /nfs/dbraw/zinc/19/43/73/450194373.db2.gz BFJOHYUEZVPGPY-KGLIPLIRSA-N 1 2 337.383 1.461 20 30 EDEDLO N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)C2)nc1 ZINC000597682903 450194375 /nfs/dbraw/zinc/19/43/75/450194375.db2.gz BFJOHYUEZVPGPY-KGLIPLIRSA-N 1 2 337.383 1.461 20 30 EDEDLO C[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000610340415 450196846 /nfs/dbraw/zinc/19/68/46/450196846.db2.gz UDSBCQDKTXGRJW-CYBMUJFWSA-N 1 2 333.395 1.923 20 30 EDEDLO COC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000610615800 450273687 /nfs/dbraw/zinc/27/36/87/450273687.db2.gz ZMZFMLLQZXAVEH-MRXNPFEDSA-N 1 2 339.399 1.793 20 30 EDEDLO COC[C@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000610615800 450273689 /nfs/dbraw/zinc/27/36/89/450273689.db2.gz ZMZFMLLQZXAVEH-MRXNPFEDSA-N 1 2 339.399 1.793 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610533778 450255938 /nfs/dbraw/zinc/25/59/38/450255938.db2.gz NSHGJGXVASTIHE-OAHLLOKOSA-N 1 2 337.383 1.865 20 30 EDEDLO COCCOCc1cc(C#N)ccc1NCC1([NH+]2CCOCC2)CC1 ZINC000603361718 450263749 /nfs/dbraw/zinc/26/37/49/450263749.db2.gz JLKRATRKHDXPCO-UHFFFAOYSA-N 1 2 345.443 1.998 20 30 EDEDLO Cc1nc(CN2CC[NH+](CCCC3(C#N)CCOCC3)CC2)n[nH]1 ZINC000619620989 450286094 /nfs/dbraw/zinc/28/60/94/450286094.db2.gz AABNFHJQABCTGA-UHFFFAOYSA-N 1 2 332.452 1.331 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610701461 450304073 /nfs/dbraw/zinc/30/40/73/450304073.db2.gz KIUUJFITXDOMFF-UHFFFAOYSA-N 1 2 336.399 1.618 20 30 EDEDLO C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000619715814 450317109 /nfs/dbraw/zinc/31/71/09/450317109.db2.gz ULXPMRLAGVZERZ-HNNXBMFYSA-N 1 2 332.400 1.303 20 30 EDEDLO Cc1cccn2cc(CCNS(=O)(=O)N(C)[C@H](C)CC#N)[nH+]c12 ZINC000619750460 450326315 /nfs/dbraw/zinc/32/63/15/450326315.db2.gz LINUXKCNVXXJNS-CYBMUJFWSA-N 1 2 335.433 1.254 20 30 EDEDLO COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618881355 450326584 /nfs/dbraw/zinc/32/65/84/450326584.db2.gz YCJVUGKEDXDRIZ-CQSZACIVSA-N 1 2 336.351 1.704 20 30 EDEDLO N#CCc1cccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000619486915 450487759 /nfs/dbraw/zinc/48/77/59/450487759.db2.gz JCICDBGDZATFPK-MRXNPFEDSA-N 1 2 349.456 1.095 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000620725694 450534699 /nfs/dbraw/zinc/53/46/99/450534699.db2.gz BWBFYVOYASHRFS-MJGOQNOKSA-N 1 2 331.460 1.246 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000620725694 450534702 /nfs/dbraw/zinc/53/47/02/450534702.db2.gz BWBFYVOYASHRFS-MJGOQNOKSA-N 1 2 331.460 1.246 20 30 EDEDLO NC(=O)C[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000626079345 450570185 /nfs/dbraw/zinc/57/01/85/450570185.db2.gz DHHWYIAKOVZZNI-AWEZNQCLSA-N 1 2 326.318 1.633 20 30 EDEDLO NC(=O)C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000626079345 450570186 /nfs/dbraw/zinc/57/01/86/450570186.db2.gz DHHWYIAKOVZZNI-AWEZNQCLSA-N 1 2 326.318 1.633 20 30 EDEDLO C=CCn1c(C)cc(C(=O)Cn2cc([C@@H]3COCC[NH2+]3)nn2)c1C ZINC000640800292 451594213 /nfs/dbraw/zinc/59/42/13/451594213.db2.gz PJEQWNIWUNNFQV-INIZCTEOSA-N 1 2 329.404 1.426 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000639739059 452082628 /nfs/dbraw/zinc/08/26/28/452082628.db2.gz RQBYYSNTNAETLX-AWEZNQCLSA-N 1 2 333.423 1.045 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000645138472 452172088 /nfs/dbraw/zinc/17/20/88/452172088.db2.gz KJHZJIBMMMDSEX-CJNGLKHVSA-N 1 2 344.390 1.722 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662114249 452850481 /nfs/dbraw/zinc/85/04/81/452850481.db2.gz UUKIAXWUQMZZLZ-QZTJIDSGSA-N 1 2 346.475 1.039 20 30 EDEDLO C=CC[C@H](CO)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662114249 452850493 /nfs/dbraw/zinc/85/04/93/452850493.db2.gz UUKIAXWUQMZZLZ-QZTJIDSGSA-N 1 2 346.475 1.039 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000648845786 453325335 /nfs/dbraw/zinc/32/53/35/453325335.db2.gz RHKWACPBDJBIGX-GOEBONIOSA-N 1 2 347.369 1.918 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)nn1 ZINC000648845786 453325340 /nfs/dbraw/zinc/32/53/40/453325340.db2.gz RHKWACPBDJBIGX-GOEBONIOSA-N 1 2 347.369 1.918 20 30 EDEDLO C=C[C@@H](O)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000667364541 453578581 /nfs/dbraw/zinc/57/85/81/453578581.db2.gz JKDFEUXHHMNMMY-CQSZACIVSA-N 1 2 334.807 1.179 20 30 EDEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)[C@@H](C)COC ZINC000661244567 453772748 /nfs/dbraw/zinc/77/27/48/453772748.db2.gz VYRHSJPVRDFMMH-LBPRGKRZSA-N 1 2 345.399 1.374 20 30 EDEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)[C@@H](C)COC ZINC000661244567 453772750 /nfs/dbraw/zinc/77/27/50/453772750.db2.gz VYRHSJPVRDFMMH-LBPRGKRZSA-N 1 2 345.399 1.374 20 30 EDEDLO C=CCCCNC(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000684136857 486957001 /nfs/dbraw/zinc/95/70/01/486957001.db2.gz RNJHYHCIJXLSAS-MRXNPFEDSA-N 1 2 341.415 1.791 20 30 EDEDLO COCC#CC[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000677817619 487174675 /nfs/dbraw/zinc/17/46/75/487174675.db2.gz RYWBFVBEWNILEB-UHFFFAOYSA-N 1 2 329.444 1.509 20 30 EDEDLO Cc1nnc([C@@H](C)ON=C(N)c2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000174131872 534872020 /nfs/dbraw/zinc/87/20/20/534872020.db2.gz JHILPUHAUIXGQW-GFCCVEGCSA-N 1 2 345.403 1.608 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000159350250 526538319 /nfs/dbraw/zinc/53/83/19/526538319.db2.gz VZNJPSBQPBVFOU-CRAIPNDOSA-N 1 2 334.464 1.781 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000159350250 526538329 /nfs/dbraw/zinc/53/83/29/526538329.db2.gz VZNJPSBQPBVFOU-CRAIPNDOSA-N 1 2 334.464 1.781 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000153151176 527627477 /nfs/dbraw/zinc/62/74/77/527627477.db2.gz QEGUOZGCSYMZCP-QGZVFWFLSA-N 1 2 328.460 1.788 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000153151176 527627483 /nfs/dbraw/zinc/62/74/83/527627483.db2.gz QEGUOZGCSYMZCP-QGZVFWFLSA-N 1 2 328.460 1.788 20 30 EDEDLO CC(C)Oc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1C#N ZINC000160315284 528177136 /nfs/dbraw/zinc/17/71/36/528177136.db2.gz KLVLEUCMGVTQNR-UHFFFAOYSA-N 1 2 330.388 1.058 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106371418 528695966 /nfs/dbraw/zinc/69/59/66/528695966.db2.gz DYGGPJJDZIUCHJ-CQSZACIVSA-N 1 2 331.464 1.910 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)C2(c3cccc(C#N)c3)CC2)CCO1 ZINC000347612975 536144461 /nfs/dbraw/zinc/14/44/61/536144461.db2.gz QRJHTYFOIYKUPN-KRWDZBQOSA-N 1 2 327.428 1.817 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)C2(c3cccc(C#N)c3)CC2)CCO1 ZINC000347612975 536144462 /nfs/dbraw/zinc/14/44/62/536144462.db2.gz QRJHTYFOIYKUPN-KRWDZBQOSA-N 1 2 327.428 1.817 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCNC2=O)cc1C ZINC000759439994 580005956 /nfs/dbraw/zinc/00/59/56/580005956.db2.gz YMCDXYGSUYKMCO-MRXNPFEDSA-N 1 2 328.416 1.370 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCNC2=O)cc1C ZINC000759439994 580005957 /nfs/dbraw/zinc/00/59/57/580005957.db2.gz YMCDXYGSUYKMCO-MRXNPFEDSA-N 1 2 328.416 1.370 20 30 EDEDLO CC[N@H+](CCOC)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000725770405 578280880 /nfs/dbraw/zinc/28/08/80/578280880.db2.gz ZJRHMUOGDCAPRJ-KRWDZBQOSA-N 1 2 330.388 1.251 20 30 EDEDLO CC[N@@H+](CCOC)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000725770405 578280881 /nfs/dbraw/zinc/28/08/81/578280881.db2.gz ZJRHMUOGDCAPRJ-KRWDZBQOSA-N 1 2 330.388 1.251 20 30 EDEDLO O=c1nc(N[NH+]=Cc2ccc(N3CCCCC3)cc2)nc2[nH][nH]cc1-2 ZINC000731154751 578669153 /nfs/dbraw/zinc/66/91/53/578669153.db2.gz BEEXUHMMIOQZIT-UHFFFAOYSA-N 1 2 337.387 1.868 20 30 EDEDLO CN(C)C(=S)N[NH+]=Cc1cc2ccccc2nc1N1CCOCC1 ZINC000731561101 578676255 /nfs/dbraw/zinc/67/62/55/578676255.db2.gz NRUNEKSFEQRWCD-UHFFFAOYSA-N 1 2 343.456 1.841 20 30 EDEDLO C[NH+](C)CCCNC(=S)NN=Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000731929838 578684302 /nfs/dbraw/zinc/68/43/02/578684302.db2.gz LHJKFIARAGZBGE-UHFFFAOYSA-N 1 2 325.394 1.050 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](Cn3cnc(-c4ccccc4)n3)CC2)n1 ZINC000760551544 580033493 /nfs/dbraw/zinc/03/34/93/580033493.db2.gz NIRNLJUARBZWFI-UHFFFAOYSA-N 1 2 345.410 1.991 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732814239 578731351 /nfs/dbraw/zinc/73/13/51/578731351.db2.gz SOZOBOQSQRBMCR-OLZOCXBDSA-N 1 2 349.397 1.895 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732814239 578731352 /nfs/dbraw/zinc/73/13/52/578731352.db2.gz SOZOBOQSQRBMCR-OLZOCXBDSA-N 1 2 349.397 1.895 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)CC1 ZINC000733161733 578746177 /nfs/dbraw/zinc/74/61/77/578746177.db2.gz YBJOXXUKHZHALO-IRXDYDNUSA-N 1 2 331.460 1.193 20 30 EDEDLO C=CCN1CC(=O)N(C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)C1=O ZINC000761005764 580044319 /nfs/dbraw/zinc/04/43/19/580044319.db2.gz OWNYLQBINZNROA-QGZVFWFLSA-N 1 2 343.427 1.819 20 30 EDEDLO C=CCNC(=O)NC(=O)COC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000735953010 578942500 /nfs/dbraw/zinc/94/25/00/578942500.db2.gz AGAJTZAPOROEAK-CYBMUJFWSA-N 1 2 333.388 1.062 20 30 EDEDLO C=CCNC(=O)NC(=O)COC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000735953010 578942501 /nfs/dbraw/zinc/94/25/01/578942501.db2.gz AGAJTZAPOROEAK-CYBMUJFWSA-N 1 2 333.388 1.062 20 30 EDEDLO COCCOC[C@H]1CC[N@@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000744416928 579510110 /nfs/dbraw/zinc/51/01/10/579510110.db2.gz KBHPPQYFPFDGBN-DOTOQJQBSA-N 1 2 332.400 1.757 20 30 EDEDLO COCCOC[C@H]1CC[N@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000744416928 579510112 /nfs/dbraw/zinc/51/01/12/579510112.db2.gz KBHPPQYFPFDGBN-DOTOQJQBSA-N 1 2 332.400 1.757 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC000744422270 579510250 /nfs/dbraw/zinc/51/02/50/579510250.db2.gz JNPRKXQZMCGJPJ-KRWDZBQOSA-N 1 2 341.411 1.195 20 30 EDEDLO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000747967776 579664870 /nfs/dbraw/zinc/66/48/70/579664870.db2.gz YCBHAGHMKRQGBV-VXGBXAGGSA-N 1 2 344.440 1.786 20 30 EDEDLO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000747967776 579664871 /nfs/dbraw/zinc/66/48/71/579664871.db2.gz YCBHAGHMKRQGBV-VXGBXAGGSA-N 1 2 344.440 1.786 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1cccc(C#N)c1 ZINC000749380358 579724076 /nfs/dbraw/zinc/72/40/76/579724076.db2.gz ULMMJDZQMSXFCX-UHFFFAOYSA-N 1 2 342.399 1.012 20 30 EDEDLO C[C@@H]1CC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1F ZINC000777962529 580453602 /nfs/dbraw/zinc/45/36/02/580453602.db2.gz DCOYKXOJLPTXMR-CJNGLKHVSA-N 1 2 344.390 1.960 20 30 EDEDLO C[C@@H]1CC[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1F ZINC000777962529 580453603 /nfs/dbraw/zinc/45/36/03/580453603.db2.gz DCOYKXOJLPTXMR-CJNGLKHVSA-N 1 2 344.390 1.960 20 30 EDEDLO N#Cc1ccc(NCCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)nc1 ZINC000751777930 579821411 /nfs/dbraw/zinc/82/14/11/579821411.db2.gz AHBUYLKWTAXFHY-UHFFFAOYSA-N 1 2 339.403 1.677 20 30 EDEDLO N#Cc1ccc(NCCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)nc1 ZINC000751777930 579821412 /nfs/dbraw/zinc/82/14/12/579821412.db2.gz AHBUYLKWTAXFHY-UHFFFAOYSA-N 1 2 339.403 1.677 20 30 EDEDLO CCOc1ccc(O)c(C=[NH+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 ZINC000751890245 579826518 /nfs/dbraw/zinc/82/65/18/579826518.db2.gz LEFXHGPDXFEWSY-GATKTMFZSA-N 1 2 345.399 1.930 20 30 EDEDLO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)O[C@H](C)C(=O)N(C)CCC#N ZINC000754505941 579904643 /nfs/dbraw/zinc/90/46/43/579904643.db2.gz PYXSIBYDEJDORN-HIFRSBDPSA-N 1 2 339.436 1.083 20 30 EDEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+][N-]c1[nH]c2ccccc2[nH+]1 ZINC000755487396 579927902 /nfs/dbraw/zinc/92/79/02/579927902.db2.gz DBHXXTCUGHROMP-UHFFFAOYSA-N 1 2 339.403 1.887 20 30 EDEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1nc2ccccc2[nH]1 ZINC000755487396 579927903 /nfs/dbraw/zinc/92/79/03/579927903.db2.gz DBHXXTCUGHROMP-UHFFFAOYSA-N 1 2 339.403 1.887 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCCC1N=Nc1ccc(-n2cc[nH+]c2)nn1 ZINC000761858806 580062657 /nfs/dbraw/zinc/06/26/57/580062657.db2.gz ZOWXTEITXJXVPM-GFCCVEGCSA-N 1 2 334.405 1.417 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cn3cnc(-c4ccccn4)n3)CC2)nc1 ZINC000762485253 580075416 /nfs/dbraw/zinc/07/54/16/580075416.db2.gz AJDXCVKEYXYSHS-UHFFFAOYSA-N 1 2 346.398 1.386 20 30 EDEDLO COCc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccc(F)cc1 ZINC000762662959 580080164 /nfs/dbraw/zinc/08/01/64/580080164.db2.gz AKNRHAMZLBXBDX-UHFFFAOYSA-N 1 2 345.374 1.925 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCOC4(CCOCC4)C3)c1=O)CCC2 ZINC000766630875 580170717 /nfs/dbraw/zinc/17/07/17/580170717.db2.gz BJMZGGGSQOUXRT-UHFFFAOYSA-N 1 2 329.400 1.048 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCOC4(CCOCC4)C3)c1=O)CCC2 ZINC000766630875 580170718 /nfs/dbraw/zinc/17/07/18/580170718.db2.gz BJMZGGGSQOUXRT-UHFFFAOYSA-N 1 2 329.400 1.048 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)c1=O)CCC2 ZINC000766631325 580170726 /nfs/dbraw/zinc/17/07/26/580170726.db2.gz FIBMGVHILSOAQF-HOTGVXAUSA-N 1 2 331.441 1.372 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCS[C@H]4COCC[C@@H]43)c1=O)CCC2 ZINC000766631325 580170727 /nfs/dbraw/zinc/17/07/27/580170727.db2.gz FIBMGVHILSOAQF-HOTGVXAUSA-N 1 2 331.441 1.372 20 30 EDEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)c1=O)CCC2 ZINC000766633129 580170744 /nfs/dbraw/zinc/17/07/44/580170744.db2.gz PDKJGCLZIOYULL-AWEZNQCLSA-N 1 2 338.415 1.170 20 30 EDEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@H](Cn4ccnn4)C3)c1=O)CCC2 ZINC000766633129 580170745 /nfs/dbraw/zinc/17/07/45/580170745.db2.gz PDKJGCLZIOYULL-AWEZNQCLSA-N 1 2 338.415 1.170 20 30 EDEDLO C=CC[N@@H+](Cc1ccc(OCC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000768984731 580225297 /nfs/dbraw/zinc/22/52/97/580225297.db2.gz JNJJTIDLTRSHIK-CQSZACIVSA-N 1 2 325.430 1.966 20 30 EDEDLO C=CC[N@H+](Cc1ccc(OCC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000768984731 580225298 /nfs/dbraw/zinc/22/52/98/580225298.db2.gz JNJJTIDLTRSHIK-CQSZACIVSA-N 1 2 325.430 1.966 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000771443334 580286980 /nfs/dbraw/zinc/28/69/80/580286980.db2.gz LZFHSRYELMASMF-CYBMUJFWSA-N 1 2 333.392 1.082 20 30 EDEDLO CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000771443334 580286981 /nfs/dbraw/zinc/28/69/81/580286981.db2.gz LZFHSRYELMASMF-CYBMUJFWSA-N 1 2 333.392 1.082 20 30 EDEDLO C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)Nc1cccc(C#N)c1 ZINC000772039785 580301380 /nfs/dbraw/zinc/30/13/80/580301380.db2.gz YYMKTXHKZRZTCG-SWLSCSKDSA-N 1 2 347.440 1.866 20 30 EDEDLO C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)Nc1cccc(C#N)c1 ZINC000772039785 580301381 /nfs/dbraw/zinc/30/13/81/580301381.db2.gz YYMKTXHKZRZTCG-SWLSCSKDSA-N 1 2 347.440 1.866 20 30 EDEDLO COc1c(O)c(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)ccc1[N+](=O)[O-] ZINC000773070291 580326373 /nfs/dbraw/zinc/32/63/73/580326373.db2.gz YSWJXLGCGGOJNM-PHIMTYICSA-N 1 2 333.348 1.503 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C(=O)OC)n2)c1 ZINC000773731515 580344925 /nfs/dbraw/zinc/34/49/25/580344925.db2.gz UXAXPUOFJYUJDI-UHFFFAOYSA-N 1 2 337.379 1.920 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(C(=O)OC)n2)c1 ZINC000773731515 580344926 /nfs/dbraw/zinc/34/49/26/580344926.db2.gz UXAXPUOFJYUJDI-UHFFFAOYSA-N 1 2 337.379 1.920 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)[C@@H]1CCCO1 ZINC000775801433 580401372 /nfs/dbraw/zinc/40/13/72/580401372.db2.gz XXYKRFHFIZLKOV-OLZOCXBDSA-N 1 2 327.340 1.736 20 30 EDEDLO C#CCOc1ccccc1C[NH+]1CC(n2cc(C(=O)OC)nn2)C1 ZINC000779614439 580491352 /nfs/dbraw/zinc/49/13/52/580491352.db2.gz ULSDAQBUVQHCMV-UHFFFAOYSA-N 1 2 326.356 1.134 20 30 EDEDLO C#CCOc1ccc(C[NH+]2CC(n3cc(C(=O)OC)nn3)C2)cc1 ZINC000779613575 580491377 /nfs/dbraw/zinc/49/13/77/580491377.db2.gz MYZOTJOTRSVKEJ-UHFFFAOYSA-N 1 2 326.356 1.134 20 30 EDEDLO C[C@@H]1C[NH+]=C(NN=Cc2cn(-c3ccc(Cl)cc3Cl)nn2)N1 ZINC000779801521 580497779 /nfs/dbraw/zinc/49/77/79/580497779.db2.gz UXJURIUKNXTQFG-MRVPVSSYSA-N 1 2 338.202 1.845 20 30 EDEDLO Cc1cc(C(=O)OCC[NH+]2CCOCC2)nn1-c1cccc(C#N)c1 ZINC000780199530 580515814 /nfs/dbraw/zinc/51/58/14/580515814.db2.gz DAQRZFJWCRTHNI-UHFFFAOYSA-N 1 2 340.383 1.541 20 30 EDEDLO C#CCOCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000784401662 580620396 /nfs/dbraw/zinc/62/03/96/580620396.db2.gz PGBOSZHSNAZSEV-CVEARBPZSA-N 1 2 337.370 1.659 20 30 EDEDLO C#CCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000784401662 580620397 /nfs/dbraw/zinc/62/03/97/580620397.db2.gz PGBOSZHSNAZSEV-CVEARBPZSA-N 1 2 337.370 1.659 20 30 EDEDLO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000789512995 580748074 /nfs/dbraw/zinc/74/80/74/580748074.db2.gz JLHOXTNQKSHAAN-OAHLLOKOSA-N 1 2 342.443 1.547 20 30 EDEDLO CCNC(=O)C[C@H]1CCCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000789512995 580748075 /nfs/dbraw/zinc/74/80/75/580748075.db2.gz JLHOXTNQKSHAAN-OAHLLOKOSA-N 1 2 342.443 1.547 20 30 EDEDLO COCCN(C)c1ccc(C=[NH+]Nc2ncnc3c2cnn3C)cn1 ZINC000790158811 580763642 /nfs/dbraw/zinc/76/36/42/580763642.db2.gz WXKFBIPUBWSCCW-UHFFFAOYSA-N 1 2 340.391 1.287 20 30 EDEDLO CCNC(=O)COc1ccc(C=NNc2[nH+]ccn2C)cc1OC ZINC000790302329 580766470 /nfs/dbraw/zinc/76/64/70/580766470.db2.gz PQFIYPFRENRVRW-UHFFFAOYSA-N 1 2 331.376 1.390 20 30 EDEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000791625670 580796856 /nfs/dbraw/zinc/79/68/56/580796856.db2.gz SJXZONILZIQVCT-MRXNPFEDSA-N 1 2 348.834 1.974 20 30 EDEDLO COC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793590872 580848409 /nfs/dbraw/zinc/84/84/09/580848409.db2.gz MUQVNBBPYDNXGX-QAPCUYQASA-N 1 2 344.415 1.249 20 30 EDEDLO COC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000793590872 580848410 /nfs/dbraw/zinc/84/84/10/580848410.db2.gz MUQVNBBPYDNXGX-QAPCUYQASA-N 1 2 344.415 1.249 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+]([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000795892200 580940456 /nfs/dbraw/zinc/94/04/56/580940456.db2.gz AJNCIGTWSFBFPX-QGZVFWFLSA-N 1 2 331.847 1.694 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000798352219 580995005 /nfs/dbraw/zinc/99/50/05/580995005.db2.gz NVTLIHDVDPKXFB-GOSISDBHSA-N 1 2 345.443 1.092 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000798364588 580995481 /nfs/dbraw/zinc/99/54/81/580995481.db2.gz NIDGJYHIRARWGB-ROUUACIJSA-N 1 2 345.443 1.133 20 30 EDEDLO COc1cccc(CC(=O)N2CC[NH+](CCO[C@@H](C)C#N)CC2)c1 ZINC000801915732 581087891 /nfs/dbraw/zinc/08/78/91/581087891.db2.gz NHDIPQFBIHNEGK-HNNXBMFYSA-N 1 2 331.416 1.311 20 30 EDEDLO C[C@H](C#N)OCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000801930227 581088398 /nfs/dbraw/zinc/08/83/98/581088398.db2.gz JTMAUUYNKKXUCI-CYBMUJFWSA-N 1 2 341.371 1.857 20 30 EDEDLO O=C(NCC#C[C@H]1CCCCO1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000891125556 590969971 /nfs/dbraw/zinc/96/99/71/590969971.db2.gz BIWDKLYWXNYQIE-LJQANCHMSA-N 1 2 342.439 1.821 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2F)C1 ZINC000891608060 591146007 /nfs/dbraw/zinc/14/60/07/591146007.db2.gz WOZHXLYYKTVOBE-NSHDSACASA-N 1 2 337.782 1.631 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Cl)c2F)C1 ZINC000891608060 591146012 /nfs/dbraw/zinc/14/60/12/591146012.db2.gz WOZHXLYYKTVOBE-NSHDSACASA-N 1 2 337.782 1.631 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](Cc3csc(C#N)c3)CC2)c1C#N ZINC000893948192 591147420 /nfs/dbraw/zinc/14/74/20/591147420.db2.gz AAFKAQUZYJQUFZ-UHFFFAOYSA-N 1 2 326.429 1.856 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c(CO)c1 ZINC000891608995 591148922 /nfs/dbraw/zinc/14/89/22/591148922.db2.gz HSLFDJGQWFEXIS-UHFFFAOYSA-N 1 2 342.443 1.185 20 30 EDEDLO O=C(NCC#C[C@H]1CCCCO1)NCc1[nH+]ccn1CC(F)(F)F ZINC000892730870 591151722 /nfs/dbraw/zinc/15/17/22/591151722.db2.gz LBXHTZPRLQXULQ-GFCCVEGCSA-N 1 2 344.337 1.817 20 30 EDEDLO Cc1nnc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000894006476 591167160 /nfs/dbraw/zinc/16/71/60/591167160.db2.gz VMFKDYSXGDXCRN-AWEZNQCLSA-N 1 2 327.413 1.609 20 30 EDEDLO Cn1c[nH+]c(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000898619523 591443715 /nfs/dbraw/zinc/44/37/15/591443715.db2.gz KWVMTVTXCDOSOZ-CQSZACIVSA-N 1 2 326.360 1.050 20 30 EDEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1OC ZINC000895068062 591563119 /nfs/dbraw/zinc/56/31/19/591563119.db2.gz HCCVYZTWRWFLDQ-UHFFFAOYSA-N 1 2 329.400 1.818 20 30 EDEDLO CC(C)(C/[NH+]=C/c1ccc(O)c(O)c1O)[C@H]1COCC12OCCO2 ZINC000840709466 591681997 /nfs/dbraw/zinc/68/19/97/591681997.db2.gz DIMMZVUFBXAFFW-BPGOPIFBSA-N 1 2 337.372 1.638 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CN1CC2(C1)OC(=O)Nc1ccc(F)cc12 ZINC000899915681 591980898 /nfs/dbraw/zinc/98/08/98/591980898.db2.gz CWGXOZLNSUGXTR-CYBMUJFWSA-N 1 2 348.378 1.105 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1CC2(C1)OC(=O)Nc1ccc(F)cc12 ZINC000899915681 591980899 /nfs/dbraw/zinc/98/08/99/591980899.db2.gz CWGXOZLNSUGXTR-CYBMUJFWSA-N 1 2 348.378 1.105 20 30 EDEDLO O=C1C=COC2(CC[NH+](Cn3cc(-c4ccncn4)cn3)CC2)C1 ZINC000902609783 592025221 /nfs/dbraw/zinc/02/52/21/592025221.db2.gz SKOWLANAUKSCIP-UHFFFAOYSA-N 1 2 325.372 1.635 20 30 EDEDLO N#Cc1cccn(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1=O ZINC000902618305 592027453 /nfs/dbraw/zinc/02/74/53/592027453.db2.gz DNBHMJIWGSZKGI-GFCCVEGCSA-N 1 2 349.316 1.976 20 30 EDEDLO N#Cc1cccn(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1=O ZINC000902618305 592027455 /nfs/dbraw/zinc/02/74/55/592027455.db2.gz DNBHMJIWGSZKGI-GFCCVEGCSA-N 1 2 349.316 1.976 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903030212 592109962 /nfs/dbraw/zinc/10/99/62/592109962.db2.gz IZTLTOZVANQIPW-UKRRQHHQSA-N 1 2 336.399 1.862 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903030212 592109965 /nfs/dbraw/zinc/10/99/65/592109965.db2.gz IZTLTOZVANQIPW-UKRRQHHQSA-N 1 2 336.399 1.862 20 30 EDEDLO COCC[N@@H+]1CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000900745561 592116506 /nfs/dbraw/zinc/11/65/06/592116506.db2.gz QFIMNOICBRCCSY-FDMDGMSGSA-N 1 2 330.428 1.913 20 30 EDEDLO COCC[N@H+]1CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000900745561 592116508 /nfs/dbraw/zinc/11/65/08/592116508.db2.gz QFIMNOICBRCCSY-FDMDGMSGSA-N 1 2 330.428 1.913 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000906674762 592255911 /nfs/dbraw/zinc/25/59/11/592255911.db2.gz IQCQIONOEBLCTR-UHFFFAOYSA-N 1 2 326.396 1.267 20 30 EDEDLO CN(Cc1cc(C#N)cs1)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000904442633 592262209 /nfs/dbraw/zinc/26/22/09/592262209.db2.gz WAGIGMCFJCYARZ-CYBMUJFWSA-N 1 2 329.429 1.759 20 30 EDEDLO C#CCCS(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000908184227 592365116 /nfs/dbraw/zinc/36/51/16/592365116.db2.gz ZXUGCLWJMUPANU-AWEZNQCLSA-N 1 2 339.367 1.730 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000906820970 592373021 /nfs/dbraw/zinc/37/30/21/592373021.db2.gz RZJVGHQFOHVGAP-QGZVFWFLSA-N 1 2 336.457 1.303 20 30 EDEDLO C=CCOCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000907270622 592567134 /nfs/dbraw/zinc/56/71/34/592567134.db2.gz RBMXNQPBOZUKPF-INIZCTEOSA-N 1 2 348.447 1.336 20 30 EDEDLO C=CCOCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000907270622 592567135 /nfs/dbraw/zinc/56/71/35/592567135.db2.gz RBMXNQPBOZUKPF-INIZCTEOSA-N 1 2 348.447 1.336 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000907268101 592577846 /nfs/dbraw/zinc/57/78/46/592577846.db2.gz QKTBFALKUZKRGO-KFWWJZLASA-N 1 2 336.457 1.444 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000907268101 592577850 /nfs/dbraw/zinc/57/78/50/592577850.db2.gz QKTBFALKUZKRGO-KFWWJZLASA-N 1 2 336.457 1.444 20 30 EDEDLO C[C@@]1(C#N)CCCN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000907335822 592594232 /nfs/dbraw/zinc/59/42/32/592594232.db2.gz OLCQABYYVLQACM-SFHVURJKSA-N 1 2 330.432 1.586 20 30 EDEDLO Cc1ccn(C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)c(=O)c1C#N ZINC000905710019 592619347 /nfs/dbraw/zinc/61/93/47/592619347.db2.gz FXKNJDVPQVOPJG-KRWDZBQOSA-N 1 2 330.388 1.196 20 30 EDEDLO CC#CC(=O)N1C[C@@H](c2cn(C)c[nH+]2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000907388404 592621882 /nfs/dbraw/zinc/62/18/82/592621882.db2.gz LMSIDBVOMQPMAN-GXTWGEPZSA-N 1 2 332.404 1.263 20 30 EDEDLO C=CC[C@@H]([NH2+]C[C@H]1CCn2ncc(C(=O)NC(C)C)c2C1)C(=O)OC ZINC000905764539 592639694 /nfs/dbraw/zinc/63/96/94/592639694.db2.gz SDNWVUJWXLIMDD-DZGCQCFKSA-N 1 2 348.447 1.291 20 30 EDEDLO C#CCSCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C(CO)CO ZINC000909295046 592792863 /nfs/dbraw/zinc/79/28/63/592792863.db2.gz WINBEYCWQZWNEY-UHFFFAOYSA-N 1 2 333.413 1.175 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C3CCCCC3)CC2)CC1 ZINC000906581258 592857857 /nfs/dbraw/zinc/85/78/57/592857857.db2.gz VCAQXJMEEIYXAV-UHFFFAOYSA-N 1 2 345.487 1.631 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C3CCCCC3)CC2)CC1 ZINC000906581258 592857859 /nfs/dbraw/zinc/85/78/59/592857859.db2.gz VCAQXJMEEIYXAV-UHFFFAOYSA-N 1 2 345.487 1.631 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000911606312 592959069 /nfs/dbraw/zinc/95/90/69/592959069.db2.gz MXTCMODEXYVFCN-KRWDZBQOSA-N 1 2 326.400 1.499 20 30 EDEDLO CCOC(=O)N1CCC(NC(=O)C[N@H+](CCC#N)CC(C)C)CC1 ZINC000755670608 592978130 /nfs/dbraw/zinc/97/81/30/592978130.db2.gz OZRJBIRTRSVRMC-UHFFFAOYSA-N 1 2 338.452 1.595 20 30 EDEDLO CCOC(=O)N1CCC(NC(=O)C[N@@H+](CCC#N)CC(C)C)CC1 ZINC000755670608 592978133 /nfs/dbraw/zinc/97/81/33/592978133.db2.gz OZRJBIRTRSVRMC-UHFFFAOYSA-N 1 2 338.452 1.595 20 30 EDEDLO Cc1ccn(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(=O)c1C#N ZINC000840107716 593187808 /nfs/dbraw/zinc/18/78/08/593187808.db2.gz HFJCTKQAAWBDPH-AWEZNQCLSA-N 1 2 330.432 1.600 20 30 EDEDLO Cc1ccn(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c(=O)c1C#N ZINC000840107716 593187809 /nfs/dbraw/zinc/18/78/09/593187809.db2.gz HFJCTKQAAWBDPH-AWEZNQCLSA-N 1 2 330.432 1.600 20 30 EDEDLO CN(C)c1c(C=[NH+]Nc2ccc(Cl)cc2)c(=O)n(C)c(=O)n1C ZINC000807941540 593211816 /nfs/dbraw/zinc/21/18/16/593211816.db2.gz ZTCRWEMKALOVFJ-UHFFFAOYSA-N 1 2 335.795 1.249 20 30 EDEDLO Cc1c(Cl)cccc1N[NH+]=Cc1c(=O)n(C)c(=O)n(C)c1N(C)C ZINC000807963291 593212794 /nfs/dbraw/zinc/21/27/94/593212794.db2.gz PESZZFGTBUMVPC-UHFFFAOYSA-N 1 2 349.822 1.558 20 30 EDEDLO C#CCCS(=O)(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000808281624 593247634 /nfs/dbraw/zinc/24/76/34/593247634.db2.gz KDQVMEUFORKGOH-KBPBESRZSA-N 1 2 337.445 1.138 20 30 EDEDLO C=CCN1CCN(C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)C1=O ZINC000840139286 593260202 /nfs/dbraw/zinc/26/02/02/593260202.db2.gz KMNSKSFBGFZESH-ZDUSSCGKSA-N 1 2 334.386 1.684 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)C1=O ZINC000840139286 593260203 /nfs/dbraw/zinc/26/02/03/593260203.db2.gz KMNSKSFBGFZESH-ZDUSSCGKSA-N 1 2 334.386 1.684 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000839149770 593264790 /nfs/dbraw/zinc/26/47/90/593264790.db2.gz VVYKABCTNRRLIK-OLROSQPISA-N 1 2 344.455 1.686 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCC[C@@](O)(CO)C1 ZINC000839149770 593264791 /nfs/dbraw/zinc/26/47/91/593264791.db2.gz VVYKABCTNRRLIK-OLROSQPISA-N 1 2 344.455 1.686 20 30 EDEDLO Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCO[C@@H](C)C#N)cn2)n1 ZINC000802730802 593273234 /nfs/dbraw/zinc/27/32/34/593273234.db2.gz ZIEAYDBNNLIKFI-ZDUSSCGKSA-N 1 2 328.376 1.659 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CC(=O)OCCOC1(C#N)CCOCC1 ZINC000809082780 593316040 /nfs/dbraw/zinc/31/60/40/593316040.db2.gz CIBZVMCWOTXSDJ-UHFFFAOYSA-N 1 2 343.383 1.977 20 30 EDEDLO C=CCn1nnn(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c1=S ZINC000840178287 593340793 /nfs/dbraw/zinc/34/07/93/593340793.db2.gz QJCNAAHRIJWWAH-UONOGXRCSA-N 1 2 344.444 1.153 20 30 EDEDLO C=CCn1nnn(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c1=S ZINC000840178287 593340795 /nfs/dbraw/zinc/34/07/95/593340795.db2.gz QJCNAAHRIJWWAH-UONOGXRCSA-N 1 2 344.444 1.153 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000814574312 593594846 /nfs/dbraw/zinc/59/48/46/593594846.db2.gz SSJNJTXDMWWDLR-CALCHBBNSA-N 1 2 329.400 1.644 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000814574312 593594847 /nfs/dbraw/zinc/59/48/47/593594847.db2.gz SSJNJTXDMWWDLR-CALCHBBNSA-N 1 2 329.400 1.644 20 30 EDEDLO CCOC(=O)N(C)c1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000819421967 593754007 /nfs/dbraw/zinc/75/40/07/593754007.db2.gz QRNZJALEEPFMSA-MRXNPFEDSA-N 1 2 334.420 1.898 20 30 EDEDLO CCOC(=O)N(C)c1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000819421967 593754008 /nfs/dbraw/zinc/75/40/08/593754008.db2.gz QRNZJALEEPFMSA-MRXNPFEDSA-N 1 2 334.420 1.898 20 30 EDEDLO C#C[C@@H](C)NC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000820423809 593818080 /nfs/dbraw/zinc/81/80/80/593818080.db2.gz WQBZFKFSVLRILA-OAHLLOKOSA-N 1 2 331.416 1.423 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000820930359 593924334 /nfs/dbraw/zinc/92/43/34/593924334.db2.gz PPHCJWXCASNISP-HNNXBMFYSA-N 1 2 327.388 1.354 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000820982596 593935585 /nfs/dbraw/zinc/93/55/85/593935585.db2.gz BZDGJVOGVOSBHM-GJZGRUSLSA-N 1 2 331.416 1.929 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000820982596 593935588 /nfs/dbraw/zinc/93/55/88/593935588.db2.gz BZDGJVOGVOSBHM-GJZGRUSLSA-N 1 2 331.416 1.929 20 30 EDEDLO C#C[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)C1CCOCC1 ZINC000824693792 594057622 /nfs/dbraw/zinc/05/76/22/594057622.db2.gz QVXWCDGGZKOPNF-RBUKOAKNSA-N 1 2 342.439 1.814 20 30 EDEDLO C#C[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C1CCOCC1 ZINC000824693792 594057624 /nfs/dbraw/zinc/05/76/24/594057624.db2.gz QVXWCDGGZKOPNF-RBUKOAKNSA-N 1 2 342.439 1.814 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823468480 594206029 /nfs/dbraw/zinc/20/60/29/594206029.db2.gz HCZJENCFZPYJGP-AWEZNQCLSA-N 1 2 349.398 1.349 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823468480 594206031 /nfs/dbraw/zinc/20/60/31/594206031.db2.gz HCZJENCFZPYJGP-AWEZNQCLSA-N 1 2 349.398 1.349 20 30 EDEDLO C#Cc1cnc(N2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)nc1 ZINC000827624208 594246601 /nfs/dbraw/zinc/24/66/01/594246601.db2.gz XEZKNYXKPYIRMW-SFHVURJKSA-N 1 2 347.422 1.385 20 30 EDEDLO Cc1ccc(C#N)cc1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000827916088 594303013 /nfs/dbraw/zinc/30/30/13/594303013.db2.gz JKNSMWDOBNIIAI-MRXNPFEDSA-N 1 2 329.400 1.040 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000830627820 594442802 /nfs/dbraw/zinc/44/28/02/594442802.db2.gz OFVXYHBVWTXKAA-ZNBBLSJYSA-N 1 2 330.428 1.560 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCOC[C@@H](O)C1 ZINC000830627820 594442803 /nfs/dbraw/zinc/44/28/03/594442803.db2.gz OFVXYHBVWTXKAA-ZNBBLSJYSA-N 1 2 330.428 1.560 20 30 EDEDLO N#Cc1cnccc1C[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000828531289 594446773 /nfs/dbraw/zinc/44/67/73/594446773.db2.gz IVWCDBHOMAOFPN-IRXDYDNUSA-N 1 2 344.415 1.823 20 30 EDEDLO N#Cc1cnccc1C[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000828531289 594446776 /nfs/dbraw/zinc/44/67/76/594446776.db2.gz IVWCDBHOMAOFPN-IRXDYDNUSA-N 1 2 344.415 1.823 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CCC(C3CC3)CC2)CC1 ZINC000826549173 594522371 /nfs/dbraw/zinc/52/23/71/594522371.db2.gz ACEKGIZOBZDGQN-UHFFFAOYSA-N 1 2 345.487 1.487 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CCC(C3CC3)CC2)CC1 ZINC000826549173 594522372 /nfs/dbraw/zinc/52/23/72/594522372.db2.gz ACEKGIZOBZDGQN-UHFFFAOYSA-N 1 2 345.487 1.487 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826590630 594533840 /nfs/dbraw/zinc/53/38/40/594533840.db2.gz SWUCSLGRKVFWBU-QRVBRYPASA-N 1 2 344.455 1.903 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826590630 594533842 /nfs/dbraw/zinc/53/38/42/594533842.db2.gz SWUCSLGRKVFWBU-QRVBRYPASA-N 1 2 344.455 1.903 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000831207097 594580921 /nfs/dbraw/zinc/58/09/21/594580921.db2.gz OXMTWMXZPDKOOO-ZDUSSCGKSA-N 1 2 328.328 1.285 20 30 EDEDLO C[NH+]1CCN(C2CCN(C(=O)COc3cccc(C#N)c3)CC2)CC1 ZINC000827463193 594674494 /nfs/dbraw/zinc/67/44/94/594674494.db2.gz YONNYWUCCLDTGN-UHFFFAOYSA-N 1 2 342.443 1.175 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000831687412 594692560 /nfs/dbraw/zinc/69/25/60/594692560.db2.gz PYNLMMCFLPKNCJ-QLFBSQMISA-N 1 2 335.448 1.658 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000831691572 594693117 /nfs/dbraw/zinc/69/31/17/594693117.db2.gz RHWQPJIPZFYOHO-CYBMUJFWSA-N 1 2 347.390 1.609 20 30 EDEDLO COCC(COC)N1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000840955170 594832766 /nfs/dbraw/zinc/83/27/66/594832766.db2.gz RPHRNFCQEWDOQF-MRXNPFEDSA-N 1 2 347.459 1.756 20 30 EDEDLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=NNC1=[NH+]CCN1 ZINC000841662951 594931631 /nfs/dbraw/zinc/93/16/31/594931631.db2.gz UWFBAQIOVQIULE-UHFFFAOYSA-N 1 2 334.786 1.915 20 30 EDEDLO OC[C@H]1CCCN1N=Cc1cccc(C=[NH+]N2CCC[C@@H]2CO)c1 ZINC000841660590 594931839 /nfs/dbraw/zinc/93/18/39/594931839.db2.gz FIFYLHAUEFCXOU-QZTJIDSGSA-N 1 2 330.432 1.268 20 30 EDEDLO Cc1nc([C@H](C)ON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000842024642 595004382 /nfs/dbraw/zinc/00/43/82/595004382.db2.gz PJZMTHMPZMHUOQ-LBPRGKRZSA-N 1 2 345.403 1.608 20 30 EDEDLO N#Cc1c(CO[NH+]=C(N)COC[C@@H]2CCOC2)cn2ccccc12 ZINC000842658238 595161827 /nfs/dbraw/zinc/16/18/27/595161827.db2.gz OMBILUHUTBIFLS-CYBMUJFWSA-N 1 2 328.372 1.863 20 30 EDEDLO C#CC[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C(=O)OC ZINC000837940108 595232816 /nfs/dbraw/zinc/23/28/16/595232816.db2.gz ZPLTZVPFAGUBJF-HOTGVXAUSA-N 1 2 346.452 1.458 20 30 EDEDLO C#CC1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000844047174 595257701 /nfs/dbraw/zinc/25/77/01/595257701.db2.gz NTCBVYDEHIHMSA-MRXNPFEDSA-N 1 2 330.432 1.355 20 30 EDEDLO C#CC1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000844047174 595257702 /nfs/dbraw/zinc/25/77/02/595257702.db2.gz NTCBVYDEHIHMSA-MRXNPFEDSA-N 1 2 330.432 1.355 20 30 EDEDLO CCN1C[C@@H](C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)OC1=O ZINC000846792623 595316932 /nfs/dbraw/zinc/31/69/32/595316932.db2.gz OZJCQTOFLISTRW-CQSZACIVSA-N 1 2 332.379 1.660 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848781494 595447042 /nfs/dbraw/zinc/44/70/42/595447042.db2.gz LFYYBTFKHNKMOA-LLVKDONJSA-N 1 2 330.344 1.200 20 30 EDEDLO COc1ccc(CNC(=O)[C@H](C#N)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000845452338 595500147 /nfs/dbraw/zinc/50/01/47/595500147.db2.gz TVPCRISYPPISEH-CZUORRHYSA-N 1 2 340.383 1.868 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 ZINC000112920828 595569221 /nfs/dbraw/zinc/56/92/21/595569221.db2.gz WXXMMPWYYASAEN-GOSISDBHSA-N 1 2 339.439 1.459 20 30 EDEDLO C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000850662079 595580244 /nfs/dbraw/zinc/58/02/44/595580244.db2.gz DKMFLISYEUVUIZ-JKSUJKDBSA-N 1 2 344.459 1.941 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H](O)c1ccc(C#N)cc1)C(C)(C)CO ZINC000855112271 595598966 /nfs/dbraw/zinc/59/89/66/595598966.db2.gz CWUSMIZIFPIFKN-CABCVRRESA-N 1 2 342.399 1.201 20 30 EDEDLO CC(C)(C(=O)N1CCC[C@](C#N)(c2ccccn2)C1)[NH+]1CCOCC1 ZINC000855303285 595667497 /nfs/dbraw/zinc/66/74/97/595667497.db2.gz ZGBCEXYPZNVDOZ-LJQANCHMSA-N 1 2 342.443 1.576 20 30 EDEDLO C#Cc1cccnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000853136971 595675735 /nfs/dbraw/zinc/67/57/35/595675735.db2.gz DFCXXHXYIYFYJZ-INIZCTEOSA-N 1 2 326.444 1.586 20 30 EDEDLO C#CCCCOc1cccnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000853137787 595675777 /nfs/dbraw/zinc/67/57/77/595675777.db2.gz KBKWSCWIYMRHAJ-UHFFFAOYSA-N 1 2 330.432 1.132 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(C[C@@H]2CC2(Cl)Cl)c1=O ZINC000849897933 595689182 /nfs/dbraw/zinc/68/91/82/595689182.db2.gz CZVHCKVOCWTVSB-ZDUSSCGKSA-N 1 2 342.226 1.746 20 30 EDEDLO C=CC(C)(C)CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000858208990 595730850 /nfs/dbraw/zinc/73/08/50/595730850.db2.gz YUHAOUIFNOMVJA-UHFFFAOYSA-N 1 2 345.509 1.397 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000853456713 595755132 /nfs/dbraw/zinc/75/51/32/595755132.db2.gz OCWKIUGJUPIVLD-CQSZACIVSA-N 1 2 337.445 1.567 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O ZINC000853620972 595835339 /nfs/dbraw/zinc/83/53/39/595835339.db2.gz LGLOZSGQQYZSMO-GJZGRUSLSA-N 1 2 335.448 1.662 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O ZINC000853620972 595835342 /nfs/dbraw/zinc/83/53/42/595835342.db2.gz LGLOZSGQQYZSMO-GJZGRUSLSA-N 1 2 335.448 1.662 20 30 EDEDLO C#CCOCC[NH+]1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000851711290 595893500 /nfs/dbraw/zinc/89/35/00/595893500.db2.gz YEBUBJJMPRROLX-UHFFFAOYSA-N 1 2 332.400 1.111 20 30 EDEDLO C#CCCN(CCOC)C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000856391717 595973094 /nfs/dbraw/zinc/97/30/94/595973094.db2.gz OONVZEKASPVROH-LBPRGKRZSA-N 1 2 331.338 1.954 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000854411218 596067525 /nfs/dbraw/zinc/06/75/25/596067525.db2.gz NICHGODYIDFMNR-HNNXBMFYSA-N 1 2 338.411 1.622 20 30 EDEDLO C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000854411218 596067528 /nfs/dbraw/zinc/06/75/28/596067528.db2.gz NICHGODYIDFMNR-HNNXBMFYSA-N 1 2 338.411 1.622 20 30 EDEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852319191 596125277 /nfs/dbraw/zinc/12/52/77/596125277.db2.gz HSXMHTRESLZEQX-OAHLLOKOSA-N 1 2 338.477 1.670 20 30 EDEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319191 596125280 /nfs/dbraw/zinc/12/52/80/596125280.db2.gz HSXMHTRESLZEQX-OAHLLOKOSA-N 1 2 338.477 1.670 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000852351736 596134090 /nfs/dbraw/zinc/13/40/90/596134090.db2.gz SXXTWCJCQNBTGG-IAGOWNOFSA-N 1 2 331.391 1.616 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852720858 596232526 /nfs/dbraw/zinc/23/25/26/596232526.db2.gz XIODFEFYXGCPJY-UHFFFAOYSA-N 1 2 330.344 1.883 20 30 EDEDLO C#CC[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)C1 ZINC000862565445 596347798 /nfs/dbraw/zinc/34/77/98/596347798.db2.gz SHBHGYAAGDNGKX-PKOBYXMFSA-N 1 2 325.456 1.847 20 30 EDEDLO CCO[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CCCC1 ZINC000865069306 596462982 /nfs/dbraw/zinc/46/29/82/596462982.db2.gz CXENVDLPUTUIDQ-QGZVFWFLSA-N 1 2 337.464 1.656 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000865152889 596493173 /nfs/dbraw/zinc/49/31/73/596493173.db2.gz UCKXFCKZBPTJAV-UHFFFAOYSA-N 1 2 326.400 1.880 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000865152889 596493176 /nfs/dbraw/zinc/49/31/76/596493176.db2.gz UCKXFCKZBPTJAV-UHFFFAOYSA-N 1 2 326.400 1.880 20 30 EDEDLO Cc1cccc(-c2noc(CO[NH+]=C(N)CN3CCOCC3)n2)c1 ZINC000123535880 596507142 /nfs/dbraw/zinc/50/71/42/596507142.db2.gz XUGLSKMQJRIHAL-UHFFFAOYSA-N 1 2 331.376 1.166 20 30 EDEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867710579 596508026 /nfs/dbraw/zinc/50/80/26/596508026.db2.gz CUVCVLSXJRNZLF-ZDUSSCGKSA-N 1 2 345.827 1.924 20 30 EDEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867710579 596508027 /nfs/dbraw/zinc/50/80/27/596508027.db2.gz CUVCVLSXJRNZLF-ZDUSSCGKSA-N 1 2 345.827 1.924 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2cc(C(=O)OC)[nH]c2C)CC1 ZINC000869396989 596510425 /nfs/dbraw/zinc/51/04/25/596510425.db2.gz DKYVMFFHUWMKDD-UHFFFAOYSA-N 1 2 346.383 1.181 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)C1=O ZINC000863329810 596552932 /nfs/dbraw/zinc/55/29/32/596552932.db2.gz GQXUOPFTPPMPPT-MRXNPFEDSA-N 1 2 329.400 1.640 20 30 EDEDLO C=CCN1CCN(C[N@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)C1=O ZINC000863329810 596552933 /nfs/dbraw/zinc/55/29/33/596552933.db2.gz GQXUOPFTPPMPPT-MRXNPFEDSA-N 1 2 329.400 1.640 20 30 EDEDLO CN(C)[C@@H](C(=O)N(C)CCc1cccc(C#N)c1)c1c[nH+]cn1C ZINC000863440439 596585140 /nfs/dbraw/zinc/58/51/40/596585140.db2.gz VPKLVQNIRSFAJK-QGZVFWFLSA-N 1 2 325.416 1.596 20 30 EDEDLO C#CCOCCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000123691448 596645747 /nfs/dbraw/zinc/64/57/47/596645747.db2.gz RCIIHJWWXWQJGQ-UHFFFAOYSA-N 1 2 346.427 1.054 20 30 EDEDLO N#CCCN1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000868029861 596660566 /nfs/dbraw/zinc/66/05/66/596660566.db2.gz DGWQNYKMAZDTFT-UHFFFAOYSA-N 1 2 339.403 1.008 20 30 EDEDLO N#C[C@@H]1CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCN1C1CC1 ZINC000865738352 596665261 /nfs/dbraw/zinc/66/52/61/596665261.db2.gz LRIUPNGTUSBWKE-GOSISDBHSA-N 1 2 335.411 1.614 20 30 EDEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 ZINC000865890172 596711666 /nfs/dbraw/zinc/71/16/66/596711666.db2.gz RJWDONJEHGSCED-CRAIPNDOSA-N 1 2 328.416 1.607 20 30 EDEDLO C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C(=O)OCC ZINC000870036125 596719300 /nfs/dbraw/zinc/71/93/00/596719300.db2.gz YQBKWFDKGRYPKQ-ZWNOBZJWSA-N 1 2 325.796 1.705 20 30 EDEDLO C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C(=O)OCC ZINC000870036125 596719302 /nfs/dbraw/zinc/71/93/02/596719302.db2.gz YQBKWFDKGRYPKQ-ZWNOBZJWSA-N 1 2 325.796 1.705 20 30 EDEDLO C[C@](O)(C[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C1CC1 ZINC000863968492 596737422 /nfs/dbraw/zinc/73/74/22/596737422.db2.gz JBVULCPLRLGZSA-QRVBRYPASA-N 1 2 330.428 1.844 20 30 EDEDLO C[C@](O)(C[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C1CC1 ZINC000863968492 596737426 /nfs/dbraw/zinc/73/74/26/596737426.db2.gz JBVULCPLRLGZSA-QRVBRYPASA-N 1 2 330.428 1.844 20 30 EDEDLO CCOCCCNC(=O)[C@H](C#N)C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000870133070 596763913 /nfs/dbraw/zinc/76/39/13/596763913.db2.gz PLBCOLCOIOAQRT-CQSZACIVSA-N 1 2 346.362 1.268 20 30 EDEDLO C=CCNS(=O)(=O)c1ccc(Cc2nc(C[NH2+]CC)no2)s1 ZINC000872171197 596819578 /nfs/dbraw/zinc/81/95/78/596819578.db2.gz NVKNZHVWWZIVNU-UHFFFAOYSA-N 1 2 342.446 1.296 20 30 EDEDLO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866229267 596834075 /nfs/dbraw/zinc/83/40/75/596834075.db2.gz JPLBEEUXNLZXCP-LBPRGKRZSA-N 1 2 337.445 1.729 20 30 EDEDLO CN(C)S(=O)(=O)c1ccccc1N=NCc1cn(C2CC2)c[nH+]1 ZINC000872377030 596896283 /nfs/dbraw/zinc/89/62/83/596896283.db2.gz QKIIYDKUPWFFHK-UHFFFAOYSA-N 1 2 333.417 1.914 20 30 EDEDLO OC[C@H]1CCCN1N=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872385350 596896651 /nfs/dbraw/zinc/89/66/51/596896651.db2.gz DWJKCJZAXOZZBE-QGZVFWFLSA-N 1 2 333.432 1.188 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2cnn(CC#N)c2)cc1 ZINC000874252652 596986931 /nfs/dbraw/zinc/98/69/31/596986931.db2.gz CCJOQSAQPDVCFY-INIZCTEOSA-N 1 2 325.372 1.628 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2cnn(CC#N)c2)cc1 ZINC000874252652 596986932 /nfs/dbraw/zinc/98/69/32/596986932.db2.gz CCJOQSAQPDVCFY-INIZCTEOSA-N 1 2 325.372 1.628 20 30 EDEDLO C#CCN(C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C1CC1 ZINC000876037395 597069400 /nfs/dbraw/zinc/06/94/00/597069400.db2.gz FRQYYNLUOOBCHR-UHFFFAOYSA-N 1 2 330.457 1.942 20 30 EDEDLO C#CCN(C)C(=O)C(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC000872990972 597152811 /nfs/dbraw/zinc/15/28/11/597152811.db2.gz ZWQPILZKOIUDIW-QGZVFWFLSA-N 1 2 345.418 1.513 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000874709558 597153857 /nfs/dbraw/zinc/15/38/57/597153857.db2.gz GASQFYUTEYMECO-YJBOKZPZSA-N 1 2 329.444 1.964 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000874709558 597153859 /nfs/dbraw/zinc/15/38/59/597153859.db2.gz GASQFYUTEYMECO-YJBOKZPZSA-N 1 2 329.444 1.964 20 30 EDEDLO C=CCC1(CNC(=O)C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)CCCC1 ZINC000873908052 597445003 /nfs/dbraw/zinc/44/50/03/597445003.db2.gz IZVJPVQQFGBFIA-UHFFFAOYSA-N 1 2 345.447 1.520 20 30 EDEDLO C=CCC1(CNC(=O)C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)CCCC1 ZINC000873908052 597445005 /nfs/dbraw/zinc/44/50/05/597445005.db2.gz IZVJPVQQFGBFIA-UHFFFAOYSA-N 1 2 345.447 1.520 20 30 EDEDLO C#C[C@@H](NC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000875505980 597456540 /nfs/dbraw/zinc/45/65/40/597456540.db2.gz ARDLDTYEZRNFCI-BBWFWOEESA-N 1 2 340.427 1.756 20 30 EDEDLO C#CC[C@H]([NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2)C(=O)OC ZINC000877583759 597538770 /nfs/dbraw/zinc/53/87/70/597538770.db2.gz UEAAOKNSZXHKBR-MJBXVCDLSA-N 1 2 336.432 1.977 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878159336 597582975 /nfs/dbraw/zinc/58/29/75/597582975.db2.gz IRKCSGOEFJUHKK-KRWDZBQOSA-N 1 2 337.464 1.262 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc(F)cc3C#N)CC2)C1=O ZINC000879590143 597647367 /nfs/dbraw/zinc/64/73/67/597647367.db2.gz RZPGVEORRYWEFV-KRWDZBQOSA-N 1 2 328.391 1.606 20 30 EDEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000878699696 597683429 /nfs/dbraw/zinc/68/34/29/597683429.db2.gz UGMFIYOOADRQRP-UONOGXRCSA-N 1 2 342.436 1.720 20 30 EDEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000878699696 597683431 /nfs/dbraw/zinc/68/34/31/597683431.db2.gz UGMFIYOOADRQRP-UONOGXRCSA-N 1 2 342.436 1.720 20 30 EDEDLO C[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1ccc(C#N)c(F)c1 ZINC000883334510 597718089 /nfs/dbraw/zinc/71/80/89/597718089.db2.gz BDDJDPRFRKYRGG-SNVBAGLBSA-N 1 2 326.335 1.290 20 30 EDEDLO N#Cc1ccc(OCCC[NH+]2CCN(Cc3nnc[nH]3)CC2)cc1 ZINC000878809028 597719435 /nfs/dbraw/zinc/71/94/35/597719435.db2.gz MTLLQURIVZDQBU-UHFFFAOYSA-N 1 2 326.404 1.263 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000879235182 597861026 /nfs/dbraw/zinc/86/10/26/597861026.db2.gz IZIDGLUUGYOTMQ-UHFFFAOYSA-N 1 2 328.416 1.765 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000879235182 597861027 /nfs/dbraw/zinc/86/10/27/597861027.db2.gz IZIDGLUUGYOTMQ-UHFFFAOYSA-N 1 2 328.416 1.765 20 30 EDEDLO CCOC1CC(CNc2cc(C#N)nc(C)n2)([NH+]2CCOCC2)C1 ZINC000882270582 597919736 /nfs/dbraw/zinc/91/97/36/597919736.db2.gz SBNRLWGWUIRQJC-UHFFFAOYSA-N 1 2 331.420 1.339 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1 ZINC000884063319 597983805 /nfs/dbraw/zinc/98/38/05/597983805.db2.gz VRJBWBFGOCZIRH-DOTOQJQBSA-N 1 2 332.400 1.709 20 30 EDEDLO C#CC1(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CCCC1 ZINC000882533454 597987080 /nfs/dbraw/zinc/98/70/80/597987080.db2.gz YUWPRMQCOYCDLN-OAHLLOKOSA-N 1 2 330.432 1.545 20 30 EDEDLO C#CC1(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CCCC1 ZINC000882533454 597987083 /nfs/dbraw/zinc/98/70/83/597987083.db2.gz YUWPRMQCOYCDLN-OAHLLOKOSA-N 1 2 330.432 1.545 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2sc(Cl)cc2C1 ZINC000884373819 598085308 /nfs/dbraw/zinc/08/53/08/598085308.db2.gz XCHCRXGWWSYAQB-JTQLQIEISA-N 1 2 328.821 1.733 20 30 EDEDLO COCC[N@H+](C)Cc1cn(Cc2cc(Cl)ccc2OCC#N)nn1 ZINC000881302651 598121119 /nfs/dbraw/zinc/12/11/19/598121119.db2.gz FRTXWIJRXGAFGQ-UHFFFAOYSA-N 1 2 349.822 1.960 20 30 EDEDLO COCC[N@@H+](C)Cc1cn(Cc2cc(Cl)ccc2OCC#N)nn1 ZINC000881302651 598121120 /nfs/dbraw/zinc/12/11/20/598121120.db2.gz FRTXWIJRXGAFGQ-UHFFFAOYSA-N 1 2 349.822 1.960 20 30 EDEDLO C#CCC(CC#C)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000881341725 598130260 /nfs/dbraw/zinc/13/02/60/598130260.db2.gz XAOFXFMDGNLYIA-UHFFFAOYSA-N 1 2 327.453 1.914 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001031856152 699997062 /nfs/dbraw/zinc/99/70/62/699997062.db2.gz UNOROIKHSRIBLM-GBESFXJTSA-N 1 2 339.439 1.921 20 30 EDEDLO Cc1cnc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)cn1 ZINC000993193035 695769706 /nfs/dbraw/zinc/76/97/06/695769706.db2.gz DTLPROBOAUJVBE-SUMWQHHRSA-N 1 2 338.415 1.768 20 30 EDEDLO Cc1cnc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(C#N)c3)[C@@H]2C)cn1 ZINC000993193035 695769709 /nfs/dbraw/zinc/76/97/09/695769709.db2.gz DTLPROBOAUJVBE-SUMWQHHRSA-N 1 2 338.415 1.768 20 30 EDEDLO CCn1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1 ZINC000993205939 695796795 /nfs/dbraw/zinc/79/67/95/695796795.db2.gz SQRMHHHEMIBQFK-DYVFJYSZSA-N 1 2 340.431 1.886 20 30 EDEDLO CCn1ccc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)n1 ZINC000993205939 695796796 /nfs/dbraw/zinc/79/67/96/695796796.db2.gz SQRMHHHEMIBQFK-DYVFJYSZSA-N 1 2 340.431 1.886 20 30 EDEDLO Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)nn1C ZINC000993206932 695798443 /nfs/dbraw/zinc/79/84/43/695798443.db2.gz ULSZSUAWHSKWHJ-DYVFJYSZSA-N 1 2 340.431 1.711 20 30 EDEDLO Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]c(C#N)c3)[C@H]2C)nn1C ZINC000993206932 695798446 /nfs/dbraw/zinc/79/84/46/695798446.db2.gz ULSZSUAWHSKWHJ-DYVFJYSZSA-N 1 2 340.431 1.711 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cn2cccc(C)c2=O)[C@@H]1C ZINC000993335155 695991303 /nfs/dbraw/zinc/99/13/03/695991303.db2.gz VIVNCYREDLUHLQ-GJZGRUSLSA-N 1 2 337.851 1.878 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cn2cccc(C)c2=O)[C@@H]1C ZINC000993335155 695991304 /nfs/dbraw/zinc/99/13/04/695991304.db2.gz VIVNCYREDLUHLQ-GJZGRUSLSA-N 1 2 337.851 1.878 20 30 EDEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@H]1C ZINC000993339769 695994215 /nfs/dbraw/zinc/99/42/15/695994215.db2.gz SZORSSNAXJHJQD-OCCSQVGLSA-N 1 2 340.445 1.842 20 30 EDEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2coc(S(C)(=O)=O)c2)[C@H]1C ZINC000993339769 695994216 /nfs/dbraw/zinc/99/42/16/695994216.db2.gz SZORSSNAXJHJQD-OCCSQVGLSA-N 1 2 340.445 1.842 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](CCc3ccc4c(c3)CCO4)C2)cn1 ZINC001031279610 696111778 /nfs/dbraw/zinc/11/17/78/696111778.db2.gz KHHAWRMCZMYDME-UHFFFAOYSA-N 1 2 347.418 1.655 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@H]1C ZINC000993607657 696255709 /nfs/dbraw/zinc/25/57/09/696255709.db2.gz YKMUYVMCFSGSBL-DGCLKSJQSA-N 1 2 334.811 1.460 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3nnnn3c2)[C@H]1C ZINC000993607657 696255711 /nfs/dbraw/zinc/25/57/11/696255711.db2.gz YKMUYVMCFSGSBL-DGCLKSJQSA-N 1 2 334.811 1.460 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccns3)[C@H]2C)nn1 ZINC000993953539 696476754 /nfs/dbraw/zinc/47/67/54/696476754.db2.gz RUJLBMOEWPCWEN-JSGCOSHPSA-N 1 2 346.460 1.704 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccns3)[C@H]2C)nn1 ZINC000993953539 696476755 /nfs/dbraw/zinc/47/67/55/696476755.db2.gz RUJLBMOEWPCWEN-JSGCOSHPSA-N 1 2 346.460 1.704 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3coc(CC)n3)C2)C1=O ZINC001007161309 696855666 /nfs/dbraw/zinc/85/56/66/696855666.db2.gz NHJIKKJUYBUXHY-HIFRSBDPSA-N 1 2 346.431 1.218 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3coc(CC)n3)C2)C1=O ZINC001007161309 696855670 /nfs/dbraw/zinc/85/56/70/696855670.db2.gz NHJIKKJUYBUXHY-HIFRSBDPSA-N 1 2 346.431 1.218 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1)[C@H]1CCOC1 ZINC001031570666 697263378 /nfs/dbraw/zinc/26/33/78/697263378.db2.gz VAKFUFCYIOPTQP-INIZCTEOSA-N 1 2 332.831 1.776 20 30 EDEDLO CC(C)(C#N)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000919350765 697273012 /nfs/dbraw/zinc/27/30/12/697273012.db2.gz VAPGTJAFOJUEHC-UHFFFAOYSA-N 1 2 335.429 1.485 20 30 EDEDLO COc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)on1 ZINC001031624242 697357259 /nfs/dbraw/zinc/35/72/59/697357259.db2.gz AVMKEEVQGAXOOV-UHFFFAOYSA-N 1 2 332.385 1.478 20 30 EDEDLO Cc1ccnc(C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC001031641734 697392700 /nfs/dbraw/zinc/39/27/00/697392700.db2.gz MVUMAVPQRWJGBL-UHFFFAOYSA-N 1 2 339.374 1.658 20 30 EDEDLO Cn1cnc(C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC001031651963 697414420 /nfs/dbraw/zinc/41/44/20/697414420.db2.gz NTZDDWLQAUZGEG-UHFFFAOYSA-N 1 2 343.818 1.182 20 30 EDEDLO C#CCC1(NC(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)CCC1 ZINC000920836064 697484365 /nfs/dbraw/zinc/48/43/65/697484365.db2.gz PVTFEBSXHYBHDY-CQSZACIVSA-N 1 2 342.447 1.732 20 30 EDEDLO C#CCC1(NC(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)CCC1 ZINC000920836064 697484367 /nfs/dbraw/zinc/48/43/67/697484367.db2.gz PVTFEBSXHYBHDY-CQSZACIVSA-N 1 2 342.447 1.732 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC000938397334 698019367 /nfs/dbraw/zinc/01/93/67/698019367.db2.gz NZIKVOPZSHUXOM-INIZCTEOSA-N 1 2 336.395 1.355 20 30 EDEDLO C[C@@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)CCO1 ZINC001032076423 698195046 /nfs/dbraw/zinc/19/50/46/698195046.db2.gz DAIQIDVZBKRBHG-ZBFHGGJFSA-N 1 2 327.428 1.921 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[C@H](C4CC4)O3)CC2)C1 ZINC000941498695 701560454 /nfs/dbraw/zinc/56/04/54/701560454.db2.gz GMKCAKVLHVVJJK-RBUKOAKNSA-N 1 2 345.487 1.186 20 30 EDEDLO C=CC[NH+]1CC(N2CCN(C(=O)c3cccc4cn[nH]c43)CC2)C1 ZINC000941509423 701564030 /nfs/dbraw/zinc/56/40/30/701564030.db2.gz JBHFLKRMSRBKID-UHFFFAOYSA-N 1 2 325.416 1.191 20 30 EDEDLO C=CC[NH+]1CC(N2CCN(C(=O)c3cccc4c[nH]nc43)CC2)C1 ZINC000941509423 701564031 /nfs/dbraw/zinc/56/40/31/701564031.db2.gz JBHFLKRMSRBKID-UHFFFAOYSA-N 1 2 325.416 1.191 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(F)ccc3OC)CC2)C1 ZINC000941509588 701564045 /nfs/dbraw/zinc/56/40/45/701564045.db2.gz SDCRZXLQUDKRIP-UHFFFAOYSA-N 1 2 345.418 1.300 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)C1 ZINC000941538654 701569843 /nfs/dbraw/zinc/56/98/43/701569843.db2.gz IESFDYQYTLWCHV-UHFFFAOYSA-N 1 2 337.345 1.179 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)Cc3cc(C)cc(C)c3)CC2)C1 ZINC000941544887 701575919 /nfs/dbraw/zinc/57/59/19/701575919.db2.gz DXFZBEXDQVTJGU-UHFFFAOYSA-N 1 2 325.456 1.308 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C)o3)C2)c1 ZINC000939106632 699173437 /nfs/dbraw/zinc/17/34/37/699173437.db2.gz DUPJMSVRRUEPLQ-IAQYHMDHSA-N 1 2 325.372 1.005 20 30 EDEDLO C#Cc1cncc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3csnn3)C2)c1 ZINC000939108293 699175819 /nfs/dbraw/zinc/17/58/19/699175819.db2.gz OLKUQOFIAUXMLN-XHDPSFHLSA-N 1 2 327.413 1.165 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@H]1CCc2cncn2C1 ZINC001031784548 699203346 /nfs/dbraw/zinc/20/33/46/699203346.db2.gz VCMGDYHPQPSRHV-IBGZPJMESA-N 1 2 348.450 1.545 20 30 EDEDLO C=C1CC(C)(C(=O)N2CCN(C3CN(Cc4c[nH+]cn4C)C3)CC2)C1 ZINC000941559971 701583101 /nfs/dbraw/zinc/58/31/01/701583101.db2.gz QUOUHFFCFYOFHA-UHFFFAOYSA-N 1 2 343.475 1.105 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)c3cc(C)oc3C)CC2)C1 ZINC000941607492 701594951 /nfs/dbraw/zinc/59/49/51/701594951.db2.gz PLJBZPTWLQIXCB-OAHLLOKOSA-N 1 2 329.444 1.462 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)COc3c(C)cccc3C)CC2)C1 ZINC000941658350 701607424 /nfs/dbraw/zinc/60/74/24/701607424.db2.gz ZLYHBFVCHKTFMO-UHFFFAOYSA-N 1 2 341.455 1.144 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)C1 ZINC000941660499 701608054 /nfs/dbraw/zinc/60/80/54/701608054.db2.gz OAFRUAGKODKCJU-UHFFFAOYSA-N 1 2 336.439 1.633 20 30 EDEDLO C#Cc1cncc(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001031964835 701609609 /nfs/dbraw/zinc/60/96/09/701609609.db2.gz FBIUNSMUVSVOQI-UHFFFAOYSA-N 1 2 348.381 1.935 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cncnc3C(C)C)CC2)C1 ZINC000941670092 701612942 /nfs/dbraw/zinc/61/29/42/701612942.db2.gz DDMHNNIEDZBTGY-UHFFFAOYSA-N 1 2 341.459 1.065 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)C1 ZINC000945516418 700440802 /nfs/dbraw/zinc/44/08/02/700440802.db2.gz UUOQAUWDGPWNFU-KBPBESRZSA-N 1 2 330.432 1.662 20 30 EDEDLO COc1nc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)co1 ZINC001031881152 700504390 /nfs/dbraw/zinc/50/43/90/700504390.db2.gz RSXKDVIKURAGBT-UHFFFAOYSA-N 1 2 326.356 1.417 20 30 EDEDLO Cn1ccnc1C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940659385 700820526 /nfs/dbraw/zinc/82/05/26/700820526.db2.gz XJKRKFAUSLCNOH-HNNXBMFYSA-N 1 2 340.431 1.650 20 30 EDEDLO Cn1ccnc1C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C(C)(C)C1 ZINC000940659385 700820529 /nfs/dbraw/zinc/82/05/29/700820529.db2.gz XJKRKFAUSLCNOH-HNNXBMFYSA-N 1 2 340.431 1.650 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000940742013 700881424 /nfs/dbraw/zinc/88/14/24/700881424.db2.gz WOIWBUGKMQLEFO-KFWWJZLASA-N 1 2 346.431 1.041 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000940973871 701015933 /nfs/dbraw/zinc/01/59/33/701015933.db2.gz YIJNNLDGBOQBHT-IAGOWNOFSA-N 1 2 348.491 1.370 20 30 EDEDLO CC1(C)CN(CC#N)CC[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000940973871 701015935 /nfs/dbraw/zinc/01/59/35/701015935.db2.gz YIJNNLDGBOQBHT-IAGOWNOFSA-N 1 2 348.491 1.370 20 30 EDEDLO COc1cc[nH+]cc1CC(=O)N1CCCN(C(=O)C#CC2CC2)CC1 ZINC000940999610 701033522 /nfs/dbraw/zinc/03/35/22/701033522.db2.gz OZABRTMSRKNMCF-UHFFFAOYSA-N 1 2 341.411 1.107 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000941091574 701135318 /nfs/dbraw/zinc/13/53/18/701135318.db2.gz XCOKMUVCQMVYNQ-RHSMWYFYSA-N 1 2 340.489 1.194 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C(C)(C)C1 ZINC000941091574 701135319 /nfs/dbraw/zinc/13/53/19/701135319.db2.gz XCOKMUVCQMVYNQ-RHSMWYFYSA-N 1 2 340.489 1.194 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000941219447 701409811 /nfs/dbraw/zinc/40/98/11/701409811.db2.gz ZZTMHGWGBJTLEE-HUUCEWRRSA-N 1 2 344.459 1.765 20 30 EDEDLO CC(C)C(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941317965 701462162 /nfs/dbraw/zinc/46/21/62/701462162.db2.gz HWUBXIUVLXRUPM-UHFFFAOYSA-N 1 2 326.444 1.543 20 30 EDEDLO Cc1ccc(C[NH+]2CC(N3CCN(C(=O)[C@@H](C)C#N)CC3)C2)c(C)n1 ZINC000941348228 701482714 /nfs/dbraw/zinc/48/27/14/701482714.db2.gz KCAQTZCHQPBPOJ-AWEZNQCLSA-N 1 2 341.459 1.187 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCN(C2C[NH+](Cc3cccc(Cl)c3)C2)CC1 ZINC000941348623 701482989 /nfs/dbraw/zinc/48/29/89/701482989.db2.gz QMQYIDWQHOANKP-AWEZNQCLSA-N 1 2 346.862 1.828 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCO[C@@H]3CC)CC2)C1 ZINC000941433152 701538940 /nfs/dbraw/zinc/53/89/40/701538940.db2.gz OVUQMHGFOKQKKH-ZWKOTPCHSA-N 1 2 333.476 1.043 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000996328516 702713694 /nfs/dbraw/zinc/71/36/94/702713694.db2.gz CMURIUUDSUGOIA-HZSPNIEDSA-N 1 2 334.420 1.296 20 30 EDEDLO C=CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(F)(F)F)nn1 ZINC001032675527 706694019 /nfs/dbraw/zinc/69/40/19/706694019.db2.gz ZTQGTKZIQHADFN-RYUDHWBXSA-N 1 2 343.353 1.705 20 30 EDEDLO C=CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(F)(F)F)nn1 ZINC001032675527 706694023 /nfs/dbraw/zinc/69/40/23/706694023.db2.gz ZTQGTKZIQHADFN-RYUDHWBXSA-N 1 2 343.353 1.705 20 30 EDEDLO CC(=O)Nc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)c1 ZINC001032319409 703010937 /nfs/dbraw/zinc/01/09/37/703010937.db2.gz RWXAVPYAGXYFNX-DQYPLSBCSA-N 1 2 326.400 1.590 20 30 EDEDLO CC(=O)Nc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)C#N)c1 ZINC001032319409 703010939 /nfs/dbraw/zinc/01/09/39/703010939.db2.gz RWXAVPYAGXYFNX-DQYPLSBCSA-N 1 2 326.400 1.590 20 30 EDEDLO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc[nH]c(=O)c2)s1 ZINC001032350052 703175209 /nfs/dbraw/zinc/17/52/09/703175209.db2.gz INHWJJQJYXGLON-STQMWFEESA-N 1 2 340.408 1.819 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc[nH]c(=O)c2)s1 ZINC001032350052 703175211 /nfs/dbraw/zinc/17/52/11/703175211.db2.gz INHWJJQJYXGLON-STQMWFEESA-N 1 2 340.408 1.819 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnccn2)C1 ZINC001032048029 703326933 /nfs/dbraw/zinc/32/69/33/703326933.db2.gz RKMUXKAOGWIBQM-QRTARXTBSA-N 1 2 330.432 1.567 20 30 EDEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)C1CCN(CC#N)CC1)C2 ZINC000997187319 703476348 /nfs/dbraw/zinc/47/63/48/703476348.db2.gz NTYNIEUBWGGBLW-IUODEOHRSA-N 1 2 329.448 1.563 20 30 EDEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)C1CCN(CC#N)CC1)CC2 ZINC000997187319 703476351 /nfs/dbraw/zinc/47/63/51/703476351.db2.gz NTYNIEUBWGGBLW-IUODEOHRSA-N 1 2 329.448 1.563 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C(C)(C)C1 ZINC000995568159 704017826 /nfs/dbraw/zinc/01/78/26/704017826.db2.gz WWBWIHYUEJFAJO-NEPJUHHUSA-N 1 2 333.436 1.853 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001033087682 704161989 /nfs/dbraw/zinc/16/19/89/704161989.db2.gz YFRMVUUXKNZZAK-KSZLIROESA-N 1 2 346.475 1.917 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001033087682 704161992 /nfs/dbraw/zinc/16/19/92/704161992.db2.gz YFRMVUUXKNZZAK-KSZLIROESA-N 1 2 346.475 1.917 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001033109493 704336643 /nfs/dbraw/zinc/33/66/43/704336643.db2.gz BRNNCLMKGMVUAT-GFCCVEGCSA-N 1 2 349.822 1.974 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3ccn(C)n3)on2)C1 ZINC001033109493 704336645 /nfs/dbraw/zinc/33/66/45/704336645.db2.gz BRNNCLMKGMVUAT-GFCCVEGCSA-N 1 2 349.822 1.974 20 30 EDEDLO CC[C@]1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)CCNC1=O ZINC001004460392 704453993 /nfs/dbraw/zinc/45/39/93/704453993.db2.gz ZABQXYNLYWBJAM-YJBOKZPZSA-N 1 2 332.448 1.129 20 30 EDEDLO CC[C@]1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)CCNC1=O ZINC001004460392 704453995 /nfs/dbraw/zinc/45/39/95/704453995.db2.gz ZABQXYNLYWBJAM-YJBOKZPZSA-N 1 2 332.448 1.129 20 30 EDEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[N@H+]1CCCC ZINC001032539541 704590545 /nfs/dbraw/zinc/59/05/45/704590545.db2.gz SHUSLZIUJNPCES-HRCADAONSA-N 1 2 341.883 1.525 20 30 EDEDLO C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001032539541 704590546 /nfs/dbraw/zinc/59/05/46/704590546.db2.gz SHUSLZIUJNPCES-HRCADAONSA-N 1 2 341.883 1.525 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2nonc2C)C1 ZINC001032225119 704781015 /nfs/dbraw/zinc/78/10/15/704781015.db2.gz XNDBNNWJFPDVDC-UHFFFAOYSA-N 1 2 341.371 1.120 20 30 EDEDLO Cc1cnn(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032574670 704957930 /nfs/dbraw/zinc/95/79/30/704957930.db2.gz PLBLDFKWSGFRAH-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO Cc1cnn(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032574670 704957935 /nfs/dbraw/zinc/95/79/35/704957935.db2.gz PLBLDFKWSGFRAH-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO CCCc1noc(C[NH2+][C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998849900 706277723 /nfs/dbraw/zinc/27/77/23/706277723.db2.gz QIMBXCZOCPMFGS-ZDUSSCGKSA-N 1 2 342.403 1.616 20 30 EDEDLO CO[C@H](C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)C#CC3CC3)C2)n1 ZINC000999131059 706566047 /nfs/dbraw/zinc/56/60/47/706566047.db2.gz ZDXBGPDTKPXWLY-TZMCWYRMSA-N 1 2 332.404 1.271 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)NC2CCN(C(=O)C#CC3CC3)CC2)c[nH+]1 ZINC000946686922 707125627 /nfs/dbraw/zinc/12/56/27/707125627.db2.gz PFZUTNTVGODLQV-UHFFFAOYSA-N 1 2 342.443 1.447 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001033295967 707405253 /nfs/dbraw/zinc/40/52/53/707405253.db2.gz YHYVZFILHILAMF-KBPBESRZSA-N 1 2 337.855 1.434 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001033295967 707405257 /nfs/dbraw/zinc/40/52/57/707405257.db2.gz YHYVZFILHILAMF-KBPBESRZSA-N 1 2 337.855 1.434 20 30 EDEDLO C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001061630682 707408202 /nfs/dbraw/zinc/40/82/02/707408202.db2.gz AVYWPYLKKHAZHO-CVEARBPZSA-N 1 2 348.447 1.534 20 30 EDEDLO C[C@H]([NH2+]Cc1nc(N(C)C)no1)[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001004855912 707474275 /nfs/dbraw/zinc/47/42/75/707474275.db2.gz SRHLBCGOHJULFQ-DZGCQCFKSA-N 1 2 345.447 1.408 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cnc3c(c2)ncn3C)C1 ZINC001033325647 707533318 /nfs/dbraw/zinc/53/33/18/707533318.db2.gz XUPSBOCZBSIYOJ-ZDUSSCGKSA-N 1 2 333.823 1.867 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnc3c(c2)ncn3C)C1 ZINC001033325647 707533320 /nfs/dbraw/zinc/53/33/20/707533320.db2.gz XUPSBOCZBSIYOJ-ZDUSSCGKSA-N 1 2 333.823 1.867 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cc[nH+]c2)cc1 ZINC001004875475 707541201 /nfs/dbraw/zinc/54/12/01/707541201.db2.gz WAAQXDFJPPSNNL-KURKYZTESA-N 1 2 348.406 1.426 20 30 EDEDLO C=CC(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2nc(CCOC)no2)C1 ZINC000999901569 707542675 /nfs/dbraw/zinc/54/26/75/707542675.db2.gz VKRHKTBUNWMUFW-ZDUSSCGKSA-N 1 2 336.436 1.551 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)nc2COC)C1 ZINC001033202190 707590671 /nfs/dbraw/zinc/59/06/71/707590671.db2.gz KGGJYAJVWRHOPG-LBPRGKRZSA-N 1 2 326.828 1.465 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C)nc2COC)C1 ZINC001033202190 707590672 /nfs/dbraw/zinc/59/06/72/707590672.db2.gz KGGJYAJVWRHOPG-LBPRGKRZSA-N 1 2 326.828 1.465 20 30 EDEDLO Cn1cncc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032732075 707736997 /nfs/dbraw/zinc/73/69/97/707736997.db2.gz VRIJQYZJZTWHNB-ROUUACIJSA-N 1 2 335.411 1.320 20 30 EDEDLO Cn1cncc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032732075 707737000 /nfs/dbraw/zinc/73/70/00/707737000.db2.gz VRIJQYZJZTWHNB-ROUUACIJSA-N 1 2 335.411 1.320 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2oc(C)nc2C)cn1 ZINC001032739716 707766568 /nfs/dbraw/zinc/76/65/68/707766568.db2.gz MPROBBBZLKXCNP-IRXDYDNUSA-N 1 2 336.395 1.767 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2oc(C)nc2C)cn1 ZINC001032739716 707766571 /nfs/dbraw/zinc/76/65/71/707766571.db2.gz MPROBBBZLKXCNP-IRXDYDNUSA-N 1 2 336.395 1.767 20 30 EDEDLO Cc1ccc(C#N)c(NC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001061017218 708204538 /nfs/dbraw/zinc/20/45/38/708204538.db2.gz LHSBJRRKCWWSHV-CQSZACIVSA-N 1 2 338.415 1.878 20 30 EDEDLO Cc1ccc(C#N)c(NC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001061017218 708204542 /nfs/dbraw/zinc/20/45/42/708204542.db2.gz LHSBJRRKCWWSHV-CQSZACIVSA-N 1 2 338.415 1.878 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033710661 708554842 /nfs/dbraw/zinc/55/48/42/708554842.db2.gz OZDYQAAIFVBTOB-INIZCTEOSA-N 1 2 342.374 1.715 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033710661 708554843 /nfs/dbraw/zinc/55/48/43/708554843.db2.gz OZDYQAAIFVBTOB-INIZCTEOSA-N 1 2 342.374 1.715 20 30 EDEDLO C=CCCC(=O)N1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001061064711 708762541 /nfs/dbraw/zinc/76/25/41/708762541.db2.gz LXCOEPVONVXJPV-UHFFFAOYSA-N 1 2 330.432 1.678 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001005406472 708905200 /nfs/dbraw/zinc/90/52/00/708905200.db2.gz MMPQQIRYFHXMPC-SJORKVTESA-N 1 2 346.475 1.824 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)c2ccnn2CCOC)C1 ZINC001033867059 708951363 /nfs/dbraw/zinc/95/13/63/708951363.db2.gz OKDARMSPWFWYJV-CQSZACIVSA-N 1 2 340.855 1.818 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnn2CCOC)C1 ZINC001033867059 708951364 /nfs/dbraw/zinc/95/13/64/708951364.db2.gz OKDARMSPWFWYJV-CQSZACIVSA-N 1 2 340.855 1.818 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001033870769 708959159 /nfs/dbraw/zinc/95/91/59/708959159.db2.gz KTQPPWSEJQJZMU-ZDUSSCGKSA-N 1 2 348.838 1.722 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nc3ncc(C)cn3n2)C1 ZINC001033870769 708959162 /nfs/dbraw/zinc/95/91/62/708959162.db2.gz KTQPPWSEJQJZMU-ZDUSSCGKSA-N 1 2 348.838 1.722 20 30 EDEDLO C=C(Cl)CN1CC[C@H]1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001038549648 709127534 /nfs/dbraw/zinc/12/75/34/709127534.db2.gz BGHSNZAYKOKTSK-JKSUJKDBSA-N 1 2 341.883 1.430 20 30 EDEDLO C=C(Cl)CN1CC[C@H]1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001038549648 709127536 /nfs/dbraw/zinc/12/75/36/709127536.db2.gz BGHSNZAYKOKTSK-JKSUJKDBSA-N 1 2 341.883 1.430 20 30 EDEDLO N#Cc1cncc(N[C@@H]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC001061107679 709137081 /nfs/dbraw/zinc/13/70/81/709137081.db2.gz NUTPOHLGHQVQRV-VXGBXAGGSA-N 1 2 325.376 1.153 20 30 EDEDLO C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001033978505 709185614 /nfs/dbraw/zinc/18/56/14/709185614.db2.gz ZHUDRKFACANCGE-CYBMUJFWSA-N 1 2 338.429 1.243 20 30 EDEDLO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(S(C)(=O)=O)o2)C1 ZINC001033978505 709185617 /nfs/dbraw/zinc/18/56/17/709185617.db2.gz ZHUDRKFACANCGE-CYBMUJFWSA-N 1 2 338.429 1.243 20 30 EDEDLO Cc1nc(C[NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)oc1C ZINC001002629336 709204451 /nfs/dbraw/zinc/20/44/51/709204451.db2.gz JFDALQBRJZQZLC-UHFFFAOYSA-N 1 2 327.388 1.886 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001034010135 709222087 /nfs/dbraw/zinc/22/20/87/709222087.db2.gz UMDSQIIJHXPNFQ-GJZGRUSLSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001034010135 709222088 /nfs/dbraw/zinc/22/20/88/709222088.db2.gz UMDSQIIJHXPNFQ-GJZGRUSLSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001034129325 709398253 /nfs/dbraw/zinc/39/82/53/709398253.db2.gz FDUOIRLYMDUULX-NWDGAFQWSA-N 1 2 344.253 1.144 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001034129325 709398255 /nfs/dbraw/zinc/39/82/55/709398255.db2.gz FDUOIRLYMDUULX-NWDGAFQWSA-N 1 2 344.253 1.144 20 30 EDEDLO CN(c1cnc(C#N)cn1)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001061204718 709664199 /nfs/dbraw/zinc/66/41/99/709664199.db2.gz YXBNEGHILYFGRE-CQSZACIVSA-N 1 2 339.403 1.131 20 30 EDEDLO N#CCN1CCCC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001034361912 709877681 /nfs/dbraw/zinc/87/76/81/709877681.db2.gz UUHUHIRXOOYLKY-WBVHZDCISA-N 1 2 334.464 1.124 20 30 EDEDLO N#CCN1CCCC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001034361912 709877684 /nfs/dbraw/zinc/87/76/84/709877684.db2.gz UUHUHIRXOOYLKY-WBVHZDCISA-N 1 2 334.464 1.124 20 30 EDEDLO Cc1ocnc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001038090379 710329771 /nfs/dbraw/zinc/32/97/71/710329771.db2.gz UJOPXBHOBZRGEO-HNNXBMFYSA-N 1 2 340.383 1.890 20 30 EDEDLO Cc1ocnc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001038090379 710329773 /nfs/dbraw/zinc/32/97/73/710329773.db2.gz UJOPXBHOBZRGEO-HNNXBMFYSA-N 1 2 340.383 1.890 20 30 EDEDLO CN(c1ccnc(C#N)n1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001061280872 710421127 /nfs/dbraw/zinc/42/11/27/710421127.db2.gz IAIOWXVJEIKMLU-CQSZACIVSA-N 1 2 339.403 1.131 20 30 EDEDLO CN(c1ccnc(C#N)n1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001061280872 710421128 /nfs/dbraw/zinc/42/11/28/710421128.db2.gz IAIOWXVJEIKMLU-CQSZACIVSA-N 1 2 339.403 1.131 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC001003651555 710469379 /nfs/dbraw/zinc/46/93/79/710469379.db2.gz FOULWRNDBBVYRJ-CFVMTHIKSA-N 1 2 333.436 1.048 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2ccnnc2)CC1 ZINC001003685885 710489892 /nfs/dbraw/zinc/48/98/92/710489892.db2.gz IIGQDRFKYTYVHU-UHFFFAOYSA-N 1 2 325.210 1.579 20 30 EDEDLO C=CCn1cc(C(=O)NC2CC[NH+]([C@H](C)c3ncc(C)o3)CC2)nn1 ZINC001003759705 710531972 /nfs/dbraw/zinc/53/19/72/710531972.db2.gz LQUDAFZIPWUENQ-CYBMUJFWSA-N 1 2 344.419 1.716 20 30 EDEDLO C=CCn1cc(C(=O)NC2CC[NH+](Cc3ncc(C)o3)CC2)nn1 ZINC001003759863 710532203 /nfs/dbraw/zinc/53/22/03/710532203.db2.gz QMLJSDZUCXXWND-UHFFFAOYSA-N 1 2 330.392 1.155 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](N(C)C(=O)C3CCC3)C2)c1 ZINC001032853417 710537059 /nfs/dbraw/zinc/53/70/59/710537059.db2.gz QZDKQJBUOBBLIK-GOSISDBHSA-N 1 2 339.439 1.939 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](N(C)C(=O)C3CCC3)C2)c1 ZINC001032853417 710537060 /nfs/dbraw/zinc/53/70/60/710537060.db2.gz QZDKQJBUOBBLIK-GOSISDBHSA-N 1 2 339.439 1.939 20 30 EDEDLO N#Cc1cnc(N2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001061774571 710656581 /nfs/dbraw/zinc/65/65/81/710656581.db2.gz QECZPTBZSAKLJC-GFCCVEGCSA-N 1 2 347.382 1.481 20 30 EDEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC001032988170 711123301 /nfs/dbraw/zinc/12/33/01/711123301.db2.gz ZVPCIYSDXMEQRF-OAHLLOKOSA-N 1 2 343.431 1.091 20 30 EDEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC001032988170 711123306 /nfs/dbraw/zinc/12/33/06/711123306.db2.gz ZVPCIYSDXMEQRF-OAHLLOKOSA-N 1 2 343.431 1.091 20 30 EDEDLO N#Cc1cc(C(=O)NCc2ccc(C[NH2+]Cc3ncccn3)cc2)c[nH]1 ZINC001034815346 711193429 /nfs/dbraw/zinc/19/34/29/711193429.db2.gz SYYBVNYLARFOIZ-UHFFFAOYSA-N 1 2 346.394 1.896 20 30 EDEDLO Cc1nc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)no1 ZINC001034911734 711340345 /nfs/dbraw/zinc/34/03/45/711340345.db2.gz KSYZPKOEJQXPMA-IINYFYTJSA-N 1 2 328.376 1.533 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccnc3n[nH]nc32)CC1 ZINC001004483409 711874248 /nfs/dbraw/zinc/87/42/48/711874248.db2.gz IKMILLNVDSIVRZ-AWEZNQCLSA-N 1 2 339.403 1.193 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccnc3n[nH]nc32)CC1 ZINC001004483409 711874249 /nfs/dbraw/zinc/87/42/49/711874249.db2.gz IKMILLNVDSIVRZ-AWEZNQCLSA-N 1 2 339.403 1.193 20 30 EDEDLO C[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)c1cncnc1 ZINC001004520608 711919283 /nfs/dbraw/zinc/91/92/83/711919283.db2.gz HRNPGCURZAIYPB-WMLDXEAASA-N 1 2 327.432 1.807 20 30 EDEDLO C[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)c1cncnc1 ZINC001004520608 711919285 /nfs/dbraw/zinc/91/92/85/711919285.db2.gz HRNPGCURZAIYPB-WMLDXEAASA-N 1 2 327.432 1.807 20 30 EDEDLO COc1ccc(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)nc1 ZINC001004523635 711924073 /nfs/dbraw/zinc/92/40/73/711924073.db2.gz SSRBNJKCYQFSFV-GOSISDBHSA-N 1 2 342.443 1.859 20 30 EDEDLO COc1ccc(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)nc1 ZINC001004523635 711924075 /nfs/dbraw/zinc/92/40/75/711924075.db2.gz SSRBNJKCYQFSFV-GOSISDBHSA-N 1 2 342.443 1.859 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc3ncccn3n2)CC1 ZINC001004587159 712021710 /nfs/dbraw/zinc/02/17/10/712021710.db2.gz XFZKPKKICBLSLS-MRXNPFEDSA-N 1 2 338.415 1.569 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc3ncccn3n2)CC1 ZINC001004587159 712021712 /nfs/dbraw/zinc/02/17/12/712021712.db2.gz XFZKPKKICBLSLS-MRXNPFEDSA-N 1 2 338.415 1.569 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054392671 214235401 /nfs/dbraw/zinc/23/54/01/214235401.db2.gz WQNCVQQIPRIMNG-LBPRGKRZSA-N 1 2 344.415 1.403 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054392671 214235404 /nfs/dbraw/zinc/23/54/04/214235404.db2.gz WQNCVQQIPRIMNG-LBPRGKRZSA-N 1 2 344.415 1.403 20 30 EDEDLO C[C@@H]1C(=O)NCCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000329186433 539419579 /nfs/dbraw/zinc/41/95/79/539419579.db2.gz QPIXQXSMXNFBOV-GDBMZVCRSA-N 1 2 346.431 1.635 20 30 EDEDLO Cc1ncc(C[NH+]2CCN(C(=O)NC[C@]3(C)CCOC3)CC2)s1 ZINC000329544027 539442860 /nfs/dbraw/zinc/44/28/60/539442860.db2.gz OGAMWQIEBQQPJA-INIZCTEOSA-N 1 2 338.477 1.910 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCNC(=O)C2(C)C)c(OC)c1 ZINC000066528477 215051274 /nfs/dbraw/zinc/05/12/74/215051274.db2.gz VLBOKSVODFQFKE-OAHLLOKOSA-N 1 2 348.443 1.374 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCNC(=O)C2(C)C)c(OC)c1 ZINC000066528477 215051279 /nfs/dbraw/zinc/05/12/79/215051279.db2.gz VLBOKSVODFQFKE-OAHLLOKOSA-N 1 2 348.443 1.374 20 30 EDEDLO C=CC[N@@H+](CCC(=O)Nc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000067400049 215141270 /nfs/dbraw/zinc/14/12/70/215141270.db2.gz GIPVCHFPBHGPEZ-ZDUSSCGKSA-N 1 2 340.420 1.829 20 30 EDEDLO C=CC[N@H+](CCC(=O)Nc1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000067400049 215141275 /nfs/dbraw/zinc/14/12/75/215141275.db2.gz GIPVCHFPBHGPEZ-ZDUSSCGKSA-N 1 2 340.420 1.829 20 30 EDEDLO C[C@@](C#N)(NC(=O)CN1CC[NH+](Cc2cccc(O)c2)CC1)C1CC1 ZINC000174660323 237288509 /nfs/dbraw/zinc/28/85/09/237288509.db2.gz BMRWXADWKLGNQI-IBGZPJMESA-N 1 2 342.443 1.318 20 30 EDEDLO CN(C(=O)C[NH+]1CCN(c2ccnc(C#N)n2)CC1)C1CCCCC1 ZINC000565221375 306379268 /nfs/dbraw/zinc/37/92/68/306379268.db2.gz IVMFUGQKPULOSM-UHFFFAOYSA-N 1 2 342.447 1.261 20 30 EDEDLO COCC[NH+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000129690924 223081244 /nfs/dbraw/zinc/08/12/44/223081244.db2.gz DSNQKFRVSHNQAA-UHFFFAOYSA-N 1 2 331.416 1.506 20 30 EDEDLO C=CCNC(=O)Cc1noc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000346982757 250051231 /nfs/dbraw/zinc/05/12/31/250051231.db2.gz GXCHQDWGAMUYMZ-UHFFFAOYSA-N 1 2 342.399 1.414 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000352238181 250076074 /nfs/dbraw/zinc/07/60/74/250076074.db2.gz NRSBKFCBPOMSLD-HUUCEWRRSA-N 1 2 347.463 1.096 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000352238182 250076088 /nfs/dbraw/zinc/07/60/88/250076088.db2.gz NRSBKFCBPOMSLD-LSDHHAIUSA-N 1 2 347.463 1.096 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000352239587 250076178 /nfs/dbraw/zinc/07/61/78/250076178.db2.gz XEHDGIPMVBKVBU-CABCVRRESA-N 1 2 325.453 1.027 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000352239587 250076180 /nfs/dbraw/zinc/07/61/80/250076180.db2.gz XEHDGIPMVBKVBU-CABCVRRESA-N 1 2 325.453 1.027 20 30 EDEDLO COc1ccc(CN2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1OCCCC#N ZINC000353772196 250083470 /nfs/dbraw/zinc/08/34/70/250083470.db2.gz ZNTRNUHAZHIOQO-VQIMIIECSA-N 1 2 345.443 1.893 20 30 EDEDLO COc1ccc(CN2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1OCCCC#N ZINC000353772196 250083474 /nfs/dbraw/zinc/08/34/74/250083474.db2.gz ZNTRNUHAZHIOQO-VQIMIIECSA-N 1 2 345.443 1.893 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(CC#N)cc2)C1 ZINC000354896520 250101877 /nfs/dbraw/zinc/10/18/77/250101877.db2.gz IVSGMWMOMNDRGV-HNNXBMFYSA-N 1 2 329.400 1.367 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(CC#N)cc2)C1 ZINC000354896520 250101879 /nfs/dbraw/zinc/10/18/79/250101879.db2.gz IVSGMWMOMNDRGV-HNNXBMFYSA-N 1 2 329.400 1.367 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN([C@H](C(=O)OCC)c2ccccc2)CC1 ZINC000358795256 250145066 /nfs/dbraw/zinc/14/50/66/250145066.db2.gz JSMKCILCFSXCRT-SFHVURJKSA-N 1 2 345.443 1.211 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000363502382 250185212 /nfs/dbraw/zinc/18/52/12/250185212.db2.gz LQLIBOGQMAQNJT-UHFFFAOYSA-N 1 2 332.404 1.190 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000363502382 250185214 /nfs/dbraw/zinc/18/52/14/250185214.db2.gz LQLIBOGQMAQNJT-UHFFFAOYSA-N 1 2 332.404 1.190 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000373501621 250240154 /nfs/dbraw/zinc/24/01/54/250240154.db2.gz RDYPHXILNLUGGR-BYZFZJQQSA-N 1 2 330.428 1.295 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000373501621 250240159 /nfs/dbraw/zinc/24/01/59/250240159.db2.gz RDYPHXILNLUGGR-BYZFZJQQSA-N 1 2 330.428 1.295 20 30 EDEDLO Cc1ncccc1O[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000375967239 250283046 /nfs/dbraw/zinc/28/30/46/250283046.db2.gz HGGCRRZROPWOLW-CRAIPNDOSA-N 1 2 330.432 1.898 20 30 EDEDLO Cc1ncccc1O[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000375967239 250283049 /nfs/dbraw/zinc/28/30/49/250283049.db2.gz HGGCRRZROPWOLW-CRAIPNDOSA-N 1 2 330.432 1.898 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000377310057 250289190 /nfs/dbraw/zinc/28/91/90/250289190.db2.gz UIZOKRJTONZJDB-HNNXBMFYSA-N 1 2 339.480 1.417 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000377310057 250289192 /nfs/dbraw/zinc/28/91/92/250289192.db2.gz UIZOKRJTONZJDB-HNNXBMFYSA-N 1 2 339.480 1.417 20 30 EDEDLO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000424448223 252236749 /nfs/dbraw/zinc/23/67/49/252236749.db2.gz OHPBOYAVTMTCGI-LBPRGKRZSA-N 1 2 336.342 1.166 20 30 EDEDLO C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000163960898 533040221 /nfs/dbraw/zinc/04/02/21/533040221.db2.gz REROUUZFAAVKIY-CABCVRRESA-N 1 2 345.443 1.941 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2nc(CC)c(C)s2)CC1 ZINC000491066519 255117612 /nfs/dbraw/zinc/11/76/12/255117612.db2.gz CTDSKVUZVRNQBZ-UHFFFAOYSA-N 1 2 348.472 1.414 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCCO3)n2CCCOCC)CC1 ZINC000491545631 255130382 /nfs/dbraw/zinc/13/03/82/255130382.db2.gz RQMGNUPUMSXMRA-INIZCTEOSA-N 1 2 347.463 1.311 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)/C=C\c3cccc(C#N)c3)CC2)cn1 ZINC000491546959 255131231 /nfs/dbraw/zinc/13/12/31/255131231.db2.gz MXQPIYGLSMZMAY-WAYWQWQTSA-N 1 2 335.411 1.649 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cccc(NC(=O)C(C)C)c2)CC1 ZINC000490778816 255106907 /nfs/dbraw/zinc/10/69/07/255106907.db2.gz LVVIHQRIXAEOGE-UHFFFAOYSA-N 1 2 343.427 1.437 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000490923019 255109013 /nfs/dbraw/zinc/10/90/13/255109013.db2.gz IBNXQFMGMOKXST-UHFFFAOYSA-N 1 2 339.361 1.313 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000490923019 255109014 /nfs/dbraw/zinc/10/90/14/255109014.db2.gz IBNXQFMGMOKXST-UHFFFAOYSA-N 1 2 339.361 1.313 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cc(F)c(SC)c(F)c2)CC1 ZINC000490934753 255110209 /nfs/dbraw/zinc/11/02/09/255110209.db2.gz KLAIGZNBPNDAFC-UHFFFAOYSA-N 1 2 339.411 1.876 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2ccc(CC)cc2[N+](=O)[O-])CC1 ZINC000491813446 255149054 /nfs/dbraw/zinc/14/90/54/255149054.db2.gz ARYNRFUDSWAXJA-UHFFFAOYSA-N 1 2 331.372 1.313 20 30 EDEDLO Cc1ccc(/C=C\C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000492381582 255174884 /nfs/dbraw/zinc/17/48/84/255174884.db2.gz UFZJTTIQEXGJPG-WAYWQWQTSA-N 1 2 328.416 1.478 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494804914 255261863 /nfs/dbraw/zinc/26/18/63/255261863.db2.gz ODWOCAMFKSGWFU-YRTQGLMCSA-N 1 2 332.452 1.785 20 30 EDEDLO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1[nH+]ccn1C ZINC000264294006 139394444 /nfs/dbraw/zinc/39/44/44/139394444.db2.gz KOXUSYOXUFDMCY-UHFFFAOYSA-N 1 2 337.387 1.200 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000331607979 141056076 /nfs/dbraw/zinc/05/60/76/141056076.db2.gz ZZHGCCVAKWTPIZ-RDJZCZTQSA-N 1 2 328.416 1.789 20 30 EDEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000331607979 141056077 /nfs/dbraw/zinc/05/60/77/141056077.db2.gz ZZHGCCVAKWTPIZ-RDJZCZTQSA-N 1 2 328.416 1.789 20 30 EDEDLO C[N@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000332123616 141127108 /nfs/dbraw/zinc/12/71/08/141127108.db2.gz IYMRNFVWTJRBFX-GDBMZVCRSA-N 1 2 347.440 1.030 20 30 EDEDLO C[N@@H+](C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000332123616 141127109 /nfs/dbraw/zinc/12/71/09/141127109.db2.gz IYMRNFVWTJRBFX-GDBMZVCRSA-N 1 2 347.440 1.030 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C[C@H]21 ZINC000332196922 141138547 /nfs/dbraw/zinc/13/85/47/141138547.db2.gz RMYLJLMHWNBMEO-HZPDHXFCSA-N 1 2 331.391 1.516 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)C[C@H]21 ZINC000332196922 141138549 /nfs/dbraw/zinc/13/85/49/141138549.db2.gz RMYLJLMHWNBMEO-HZPDHXFCSA-N 1 2 331.391 1.516 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CSCc1ccc(C#N)cc1 ZINC000345396350 143086075 /nfs/dbraw/zinc/08/60/75/143086075.db2.gz IIKFFTXXALMBPR-HNNXBMFYSA-N 1 2 347.484 1.971 20 30 EDEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(F)cc1C#N ZINC000346004358 143156277 /nfs/dbraw/zinc/15/62/77/143156277.db2.gz YIXPQDUBJOMTDI-UHFFFAOYSA-N 1 2 335.379 1.005 20 30 EDEDLO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H](F)C[C@@H]2C(N)=O)cc1Cl ZINC000346060017 143162876 /nfs/dbraw/zinc/16/28/76/143162876.db2.gz FFLBBDGTZCMWRQ-GXFFZTMASA-N 1 2 338.770 1.438 20 30 EDEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](F)C[C@@H]2C(N)=O)cc1Cl ZINC000346060017 143162877 /nfs/dbraw/zinc/16/28/77/143162877.db2.gz FFLBBDGTZCMWRQ-GXFFZTMASA-N 1 2 338.770 1.438 20 30 EDEDLO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)cc1Cl ZINC000346060004 143162896 /nfs/dbraw/zinc/16/28/96/143162896.db2.gz FFLBBDGTZCMWRQ-GWCFXTLKSA-N 1 2 338.770 1.438 20 30 EDEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)cc1Cl ZINC000346060004 143162897 /nfs/dbraw/zinc/16/28/97/143162897.db2.gz FFLBBDGTZCMWRQ-GWCFXTLKSA-N 1 2 338.770 1.438 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)o1 ZINC000352720270 149128462 /nfs/dbraw/zinc/12/84/62/149128462.db2.gz SOVLPZITQGFZDW-FUHWJXTLSA-N 1 2 337.379 1.877 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)o1 ZINC000352720270 149128466 /nfs/dbraw/zinc/12/84/66/149128466.db2.gz SOVLPZITQGFZDW-FUHWJXTLSA-N 1 2 337.379 1.877 20 30 EDEDLO N#Cc1csc(C[NH2+]CCNS(=O)(=O)c2cccs2)n1 ZINC000352811123 149176891 /nfs/dbraw/zinc/17/68/91/149176891.db2.gz QUSFXGDJYFOCTM-UHFFFAOYSA-N 1 2 328.444 1.144 20 30 EDEDLO C[C@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)c1cccc(C#N)c1 ZINC000370050315 155303142 /nfs/dbraw/zinc/30/31/42/155303142.db2.gz OZWNAKOXNFVDJN-YJBOKZPZSA-N 1 2 342.443 1.035 20 30 EDEDLO C[C@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)c1cccc(C#N)c1 ZINC000370050315 155303144 /nfs/dbraw/zinc/30/31/44/155303144.db2.gz OZWNAKOXNFVDJN-YJBOKZPZSA-N 1 2 342.443 1.035 20 30 EDEDLO COc1cc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1C#N ZINC000358256781 151319255 /nfs/dbraw/zinc/31/92/55/151319255.db2.gz OOGOVCMDUKJPDS-JKSUJKDBSA-N 1 2 344.415 1.181 20 30 EDEDLO COc1cc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)ccc1C#N ZINC000358256781 151319256 /nfs/dbraw/zinc/31/92/56/151319256.db2.gz OOGOVCMDUKJPDS-JKSUJKDBSA-N 1 2 344.415 1.181 20 30 EDEDLO N#Cc1cccc([C@@H]2CN(C(=O)NCCn3cc[nH+]c3)CCO2)c1 ZINC000367076195 154001435 /nfs/dbraw/zinc/00/14/35/154001435.db2.gz KQYJJJONVRZKLX-INIZCTEOSA-N 1 2 325.372 1.538 20 30 EDEDLO N#Cc1cccc([C@@H]2CN(C(=O)NCCCn3cc[nH+]c3)CCO2)c1 ZINC000367082439 154002984 /nfs/dbraw/zinc/00/29/84/154002984.db2.gz WFBKCPSLIDLKJS-KRWDZBQOSA-N 1 2 339.399 1.928 20 30 EDEDLO CN1CCN(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)C(=O)C1 ZINC000367870616 154306011 /nfs/dbraw/zinc/30/60/11/154306011.db2.gz MZWWXQAKHYEQNG-UHFFFAOYSA-N 1 2 330.407 1.436 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCc3cc[nH]c(=O)c3C2)c1 ZINC000369610008 155110321 /nfs/dbraw/zinc/11/03/21/155110321.db2.gz VXPZWJNOKSFYHR-UHFFFAOYSA-N 1 2 343.408 1.491 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCc3cc[nH]c(=O)c3C2)c1 ZINC000369610008 155110323 /nfs/dbraw/zinc/11/03/23/155110323.db2.gz VXPZWJNOKSFYHR-UHFFFAOYSA-N 1 2 343.408 1.491 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000373797325 157007806 /nfs/dbraw/zinc/00/78/06/157007806.db2.gz NSIXUATZYIPZBN-BEFAXECRSA-N 1 2 343.427 1.444 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000373797325 157007809 /nfs/dbraw/zinc/00/78/09/157007809.db2.gz NSIXUATZYIPZBN-BEFAXECRSA-N 1 2 343.427 1.444 20 30 EDEDLO CN1C(=O)CSC12CC[NH+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC000378623272 158221279 /nfs/dbraw/zinc/22/12/79/158221279.db2.gz PHKRKEOAIUPRFT-UHFFFAOYSA-N 1 2 344.440 1.494 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(C#N)c1 ZINC000352133599 162001510 /nfs/dbraw/zinc/00/15/10/162001510.db2.gz IMODYVRPSZQUFU-MRXNPFEDSA-N 1 2 339.399 1.993 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(C#N)c1 ZINC000352133599 162001511 /nfs/dbraw/zinc/00/15/11/162001511.db2.gz IMODYVRPSZQUFU-MRXNPFEDSA-N 1 2 339.399 1.993 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000352261643 162081853 /nfs/dbraw/zinc/08/18/53/162081853.db2.gz XAOPZSWPAXVBQA-AWEZNQCLSA-N 1 2 344.434 1.481 20 30 EDEDLO C[C@H](NC(=O)C[N@H+](C)Cc1cccc(C#N)c1)C(=O)N1CCCCC1 ZINC000051401005 287220799 /nfs/dbraw/zinc/22/07/99/287220799.db2.gz VSDGLQAFGUNZIC-HNNXBMFYSA-N 1 2 342.443 1.507 20 30 EDEDLO C[C@H](NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)C(=O)N1CCCCC1 ZINC000051401005 287220800 /nfs/dbraw/zinc/22/08/00/287220800.db2.gz VSDGLQAFGUNZIC-HNNXBMFYSA-N 1 2 342.443 1.507 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000063815836 287238954 /nfs/dbraw/zinc/23/89/54/287238954.db2.gz SGPRFNKFTDUJKB-UHFFFAOYSA-N 1 2 344.415 1.032 20 30 EDEDLO N#Cc1ccc(N2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000492808503 269965222 /nfs/dbraw/zinc/96/52/22/269965222.db2.gz CXELXKWJEJCLQY-DUXPYHPUSA-N 1 2 325.347 1.782 20 30 EDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280869086 270009351 /nfs/dbraw/zinc/00/93/51/270009351.db2.gz LGKJEKDHLSIZOO-KRWDZBQOSA-N 1 2 340.427 1.468 20 30 EDEDLO CC1(C)COCC[N@H+]1CCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280869086 270009352 /nfs/dbraw/zinc/00/93/52/270009352.db2.gz LGKJEKDHLSIZOO-KRWDZBQOSA-N 1 2 340.427 1.468 20 30 EDEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 ZINC000451971024 267184301 /nfs/dbraw/zinc/18/43/01/267184301.db2.gz MMTPDXBHKOYHCR-CYBMUJFWSA-N 1 2 337.445 1.672 20 30 EDEDLO C[C@H](O)c1ncc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)s1 ZINC000289202417 267195423 /nfs/dbraw/zinc/19/54/23/267195423.db2.gz VPUPRGRWRLFZDL-LBPRGKRZSA-N 1 2 329.429 1.785 20 30 EDEDLO CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000492841126 267255095 /nfs/dbraw/zinc/25/50/95/267255095.db2.gz QGMXECYGGLRTGT-CSPWOOARSA-N 1 2 337.383 1.863 20 30 EDEDLO Cc1cc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c(C#N)c(C)[nH+]1 ZINC000301934899 267336905 /nfs/dbraw/zinc/33/69/05/267336905.db2.gz QPXOOSZDJCDJHX-UHFFFAOYSA-N 1 2 337.383 1.633 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+](C)CCN2CCOC(C)(C)C2)c(C#N)c1C ZINC000279676604 267730842 /nfs/dbraw/zinc/73/08/42/267730842.db2.gz GALURSLUFPLFLW-UHFFFAOYSA-N 1 2 348.447 1.749 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+](C)CCN2CCOC(C)(C)C2)c(C#N)c1C ZINC000279676604 267730844 /nfs/dbraw/zinc/73/08/44/267730844.db2.gz GALURSLUFPLFLW-UHFFFAOYSA-N 1 2 348.447 1.749 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000451446681 268111887 /nfs/dbraw/zinc/11/18/87/268111887.db2.gz QMWAGYSSABPGDW-SFHVURJKSA-N 1 2 346.431 1.433 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NCC(F)(F)F)C2)nc1 ZINC000292051275 268181584 /nfs/dbraw/zinc/18/15/84/268181584.db2.gz BGLDGLHVTBIEDS-LLVKDONJSA-N 1 2 328.294 1.085 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NCC(F)(F)F)C2)nc1 ZINC000292051275 268181586 /nfs/dbraw/zinc/18/15/86/268181586.db2.gz BGLDGLHVTBIEDS-LLVKDONJSA-N 1 2 328.294 1.085 20 30 EDEDLO CC(C)(O)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274945944 268246451 /nfs/dbraw/zinc/24/64/51/268246451.db2.gz QRYIVKZMKMJUKU-UHFFFAOYSA-N 1 2 330.432 1.546 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+]Cc2cccc(N3CCC3=O)c2)C(N)=O)cc1 ZINC000442115587 268263354 /nfs/dbraw/zinc/26/33/54/268263354.db2.gz BTELQEUHJPGVRC-SFHVURJKSA-N 1 2 334.379 1.611 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NO[C@@H]3CCCCO3)CC2)cc1 ZINC000275089779 268279485 /nfs/dbraw/zinc/27/94/85/268279485.db2.gz HRAFNLMOTKHLIQ-QGZVFWFLSA-N 1 2 344.415 1.844 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCCC(=O)N3)CC2)cc1 ZINC000278896534 273268675 /nfs/dbraw/zinc/26/86/75/273268675.db2.gz FHEPFEPHPXWRRT-QGZVFWFLSA-N 1 2 340.427 1.261 20 30 EDEDLO CSCCONC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000279738191 273321831 /nfs/dbraw/zinc/32/18/31/273321831.db2.gz WXUNPHZHYVZODI-UHFFFAOYSA-N 1 2 334.445 1.680 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000377318465 275388179 /nfs/dbraw/zinc/38/81/79/275388179.db2.gz VZGIJLOEWYOQPC-GOSISDBHSA-N 1 2 333.391 1.909 20 30 EDEDLO C#Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000377318465 275388182 /nfs/dbraw/zinc/38/81/82/275388182.db2.gz VZGIJLOEWYOQPC-GOSISDBHSA-N 1 2 333.391 1.909 20 30 EDEDLO N#Cc1ccc(SCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000080928358 279527177 /nfs/dbraw/zinc/52/71/77/279527177.db2.gz ORAHRCLEIKCGSB-MRXNPFEDSA-N 1 2 345.468 1.974 20 30 EDEDLO CC(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCO1 ZINC000329104535 280029319 /nfs/dbraw/zinc/02/93/19/280029319.db2.gz CQLTVKYYYMABRS-ZACQAIPSSA-N 1 2 339.480 1.901 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C#N)ccn2)nc[nH+]1 ZINC000287932202 288360215 /nfs/dbraw/zinc/36/02/15/288360215.db2.gz HDJLVSVXCRTGNI-CYBMUJFWSA-N 1 2 337.387 1.184 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(C#N)ccn2)[nH+]cn1 ZINC000287932202 288360218 /nfs/dbraw/zinc/36/02/18/288360218.db2.gz HDJLVSVXCRTGNI-CYBMUJFWSA-N 1 2 337.387 1.184 20 30 EDEDLO C[C@@H]1C[C@H](C)[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)O1 ZINC000328866688 288674419 /nfs/dbraw/zinc/67/44/19/288674419.db2.gz ZWQKHAFRBWGQIW-DSJMHWKBSA-N 1 2 328.478 1.964 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000332929857 298136306 /nfs/dbraw/zinc/13/63/06/298136306.db2.gz BRFCAGBVMUHDJM-VKJFTORMSA-N 1 2 335.448 1.597 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000332929857 298136308 /nfs/dbraw/zinc/13/63/08/298136308.db2.gz BRFCAGBVMUHDJM-VKJFTORMSA-N 1 2 335.448 1.597 20 30 EDEDLO Cc1nnc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000353665745 302822049 /nfs/dbraw/zinc/82/20/49/302822049.db2.gz PUUISXTWPAPBPJ-SNVBAGLBSA-N 1 2 336.442 1.843 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451441965 305346900 /nfs/dbraw/zinc/34/69/00/305346900.db2.gz ZROUXEMKECCQNL-CQSZACIVSA-N 1 2 329.734 1.852 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451441965 305346901 /nfs/dbraw/zinc/34/69/01/305346901.db2.gz ZROUXEMKECCQNL-CQSZACIVSA-N 1 2 329.734 1.852 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000425910444 447358490 /nfs/dbraw/zinc/35/84/90/447358490.db2.gz VXXFRNMQIUDRPA-IHRRRGAJSA-N 1 2 332.404 1.171 20 30 EDEDLO Cc1nnc([C@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)[nH]1 ZINC000538666533 306031545 /nfs/dbraw/zinc/03/15/45/306031545.db2.gz VDZUCIDKILGSRO-INIZCTEOSA-N 1 2 338.415 1.481 20 30 EDEDLO Cc1nnc([C@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)[nH]1 ZINC000538666533 306031546 /nfs/dbraw/zinc/03/15/46/306031546.db2.gz VDZUCIDKILGSRO-INIZCTEOSA-N 1 2 338.415 1.481 20 30 EDEDLO Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)n1 ZINC000538666533 306031547 /nfs/dbraw/zinc/03/15/47/306031547.db2.gz VDZUCIDKILGSRO-INIZCTEOSA-N 1 2 338.415 1.481 20 30 EDEDLO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)n1 ZINC000538666533 306031548 /nfs/dbraw/zinc/03/15/48/306031548.db2.gz VDZUCIDKILGSRO-INIZCTEOSA-N 1 2 338.415 1.481 20 30 EDEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)n[nH]1 ZINC000538666533 306031549 /nfs/dbraw/zinc/03/15/49/306031549.db2.gz VDZUCIDKILGSRO-INIZCTEOSA-N 1 2 338.415 1.481 20 30 EDEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)n[nH]1 ZINC000538666533 306031550 /nfs/dbraw/zinc/03/15/50/306031550.db2.gz VDZUCIDKILGSRO-INIZCTEOSA-N 1 2 338.415 1.481 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000377925755 447389823 /nfs/dbraw/zinc/38/98/23/447389823.db2.gz RQKHVPHWJZFIDX-UHFFFAOYSA-N 1 2 336.439 1.678 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000377925755 447389830 /nfs/dbraw/zinc/38/98/30/447389830.db2.gz RQKHVPHWJZFIDX-UHFFFAOYSA-N 1 2 336.439 1.678 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1CCC[N@H+](Cc2nccn2C)CC1 ZINC000377925755 447389836 /nfs/dbraw/zinc/38/98/36/447389836.db2.gz RQKHVPHWJZFIDX-UHFFFAOYSA-N 1 2 336.439 1.678 20 30 EDEDLO COc1ccc(N2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)nc1 ZINC000449764954 447390824 /nfs/dbraw/zinc/39/08/24/447390824.db2.gz FOCTWDQBUZDRNC-UHFFFAOYSA-N 1 2 348.410 1.932 20 30 EDEDLO CC(C)CN1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](C)C1=O ZINC000426251333 447407281 /nfs/dbraw/zinc/40/72/81/447407281.db2.gz LOZNQYZVKNTEFZ-DOTOQJQBSA-N 1 2 345.443 1.487 20 30 EDEDLO CC(C)CN1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](C)C1=O ZINC000426251333 447407290 /nfs/dbraw/zinc/40/72/90/447407290.db2.gz LOZNQYZVKNTEFZ-DOTOQJQBSA-N 1 2 345.443 1.487 20 30 EDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000044714509 440878602 /nfs/dbraw/zinc/87/86/02/440878602.db2.gz SMKZGSJUKUSFKS-UHFFFAOYSA-N 1 2 325.416 1.276 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000007016489 441030231 /nfs/dbraw/zinc/03/02/31/441030231.db2.gz UHMYXMVOZNTAFI-YJBOKZPZSA-N 1 2 329.448 1.647 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000007016485 441030281 /nfs/dbraw/zinc/03/02/81/441030281.db2.gz UHMYXMVOZNTAFI-QAPCUYQASA-N 1 2 329.448 1.647 20 30 EDEDLO CC(C)NC(=O)C[N@@H+]1CCCN(CCOc2ccc(C#N)cc2)CC1 ZINC000046516698 441113468 /nfs/dbraw/zinc/11/34/68/441113468.db2.gz LFMTXOKBMDCASW-UHFFFAOYSA-N 1 2 344.459 1.469 20 30 EDEDLO CC(C)NC(=O)C[N@H+]1CCCN(CCOc2ccc(C#N)cc2)CC1 ZINC000046516698 441113469 /nfs/dbraw/zinc/11/34/69/441113469.db2.gz LFMTXOKBMDCASW-UHFFFAOYSA-N 1 2 344.459 1.469 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CNCC(F)(F)F)CC2)cc1 ZINC000070975037 441131154 /nfs/dbraw/zinc/13/11/54/441131154.db2.gz SZILEQMHAFIXNZ-UHFFFAOYSA-N 1 2 340.349 1.354 20 30 EDEDLO N#CC1CC[NH+](CC(=O)Nc2ccccc2SCC(N)=O)CC1 ZINC000057906791 441142713 /nfs/dbraw/zinc/14/27/13/441142713.db2.gz NWSCKMYBQSOXHL-UHFFFAOYSA-N 1 2 332.429 1.438 20 30 EDEDLO N#CCCN(C(=O)C[N@H+]1CCCN(C(N)=O)CC1)c1ccccc1 ZINC000102179725 441165699 /nfs/dbraw/zinc/16/56/99/441165699.db2.gz HKUUEEWGHQCCJZ-UHFFFAOYSA-N 1 2 329.404 1.020 20 30 EDEDLO N#CCCN(C(=O)C[N@@H+]1CCCN(C(N)=O)CC1)c1ccccc1 ZINC000102179725 441165701 /nfs/dbraw/zinc/16/57/01/441165701.db2.gz HKUUEEWGHQCCJZ-UHFFFAOYSA-N 1 2 329.404 1.020 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000047509941 441198507 /nfs/dbraw/zinc/19/85/07/441198507.db2.gz BKGJOMDXYYRNNP-UHFFFAOYSA-N 1 2 328.338 1.525 20 30 EDEDLO CN(C(=O)C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1)C1CCCCC1 ZINC000048045395 441254012 /nfs/dbraw/zinc/25/40/12/441254012.db2.gz GLISXPSUHAQSRB-GOSISDBHSA-N 1 2 334.464 1.518 20 30 EDEDLO CN(C(=O)C[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1)C1CCCCC1 ZINC000048045395 441254016 /nfs/dbraw/zinc/25/40/16/441254016.db2.gz GLISXPSUHAQSRB-GOSISDBHSA-N 1 2 334.464 1.518 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1ccccc1F ZINC000060634115 441255226 /nfs/dbraw/zinc/25/52/26/441255226.db2.gz VCSIBTQRIWJLLV-UHFFFAOYSA-N 1 2 335.379 1.279 20 30 EDEDLO COC(=O)c1oc(CN(CCC#N)CC[NH+]2CCOCC2)cc1C ZINC000081515493 441280933 /nfs/dbraw/zinc/28/09/33/441280933.db2.gz WBAKSRRUPVDFJF-UHFFFAOYSA-N 1 2 335.404 1.423 20 30 EDEDLO C=CC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)Cc1cccc(C#N)c1 ZINC000063300635 441324397 /nfs/dbraw/zinc/32/43/97/441324397.db2.gz LVSKAXANKGWEDH-CQSZACIVSA-N 1 2 344.415 1.407 20 30 EDEDLO C=CC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)Cc1cccc(C#N)c1 ZINC000063300635 441324398 /nfs/dbraw/zinc/32/43/98/441324398.db2.gz LVSKAXANKGWEDH-CQSZACIVSA-N 1 2 344.415 1.407 20 30 EDEDLO COCC[N@H+](CC(=O)Nc1cc(C)no1)Cc1ccc(C#N)cc1 ZINC000063754024 441350254 /nfs/dbraw/zinc/35/02/54/441350254.db2.gz KILBDJIINCAOHC-UHFFFAOYSA-N 1 2 328.372 1.942 20 30 EDEDLO COCC[N@@H+](CC(=O)Nc1cc(C)no1)Cc1ccc(C#N)cc1 ZINC000063754024 441350257 /nfs/dbraw/zinc/35/02/57/441350257.db2.gz KILBDJIINCAOHC-UHFFFAOYSA-N 1 2 328.372 1.942 20 30 EDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000106582649 441359505 /nfs/dbraw/zinc/35/95/05/441359505.db2.gz XDJMXVWAEXSSTI-HNNXBMFYSA-N 1 2 329.448 1.336 20 30 EDEDLO COC(=O)CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000025952939 441362121 /nfs/dbraw/zinc/36/21/21/441362121.db2.gz ARNJITIDBBQJEB-UHFFFAOYSA-N 1 2 330.344 1.491 20 30 EDEDLO CC[N@H+](CC(=O)N(C)C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051792509 441423947 /nfs/dbraw/zinc/42/39/47/441423947.db2.gz MVSTUEPKXJMDCR-UHFFFAOYSA-N 1 2 344.459 1.960 20 30 EDEDLO CC[N@@H+](CC(=O)N(C)C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051792509 441423950 /nfs/dbraw/zinc/42/39/50/441423950.db2.gz MVSTUEPKXJMDCR-UHFFFAOYSA-N 1 2 344.459 1.960 20 30 EDEDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029450309 441460200 /nfs/dbraw/zinc/46/02/00/441460200.db2.gz HKZPRMVGWIGXLS-CQSZACIVSA-N 1 2 329.448 1.769 20 30 EDEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000066316078 441519266 /nfs/dbraw/zinc/51/92/66/441519266.db2.gz MPWMZGOHCIDIGK-UHFFFAOYSA-N 1 2 348.491 1.863 20 30 EDEDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000066316078 441519268 /nfs/dbraw/zinc/51/92/68/441519268.db2.gz MPWMZGOHCIDIGK-UHFFFAOYSA-N 1 2 348.491 1.863 20 30 EDEDLO COc1cccc(OC)c1OC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000066494819 441539013 /nfs/dbraw/zinc/53/90/13/441539013.db2.gz WMCVNYORUNHLER-UHFFFAOYSA-N 1 2 333.388 1.187 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCSC[C@@H]1c1cccs1 ZINC000076178894 441606788 /nfs/dbraw/zinc/60/67/88/441606788.db2.gz AHFPDIOOEPNINF-LLVKDONJSA-N 1 2 325.459 1.850 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCSC[C@@H]1c1cccs1 ZINC000076178894 441606793 /nfs/dbraw/zinc/60/67/93/441606793.db2.gz AHFPDIOOEPNINF-LLVKDONJSA-N 1 2 325.459 1.850 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000042542021 441749778 /nfs/dbraw/zinc/74/97/78/441749778.db2.gz JJDQBMJXEURMOB-INIZCTEOSA-N 1 2 334.464 1.914 20 30 EDEDLO COc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(OC)c1 ZINC000115597688 441763501 /nfs/dbraw/zinc/76/35/01/441763501.db2.gz ZIQOUZZTPGHRGP-KRWDZBQOSA-N 1 2 325.368 1.892 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CCC(F)(F)F)CC1 ZINC000092618405 441814062 /nfs/dbraw/zinc/81/40/62/441814062.db2.gz WSIMHNDTGMCTSZ-CYBMUJFWSA-N 1 2 334.386 1.563 20 30 EDEDLO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCC(F)(F)F)CC1 ZINC000092618405 441814065 /nfs/dbraw/zinc/81/40/65/441814065.db2.gz WSIMHNDTGMCTSZ-CYBMUJFWSA-N 1 2 334.386 1.563 20 30 EDEDLO COC(=O)C1([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCCC1 ZINC000118005163 441883527 /nfs/dbraw/zinc/88/35/27/441883527.db2.gz BZYCPGOIOAJLDV-INIZCTEOSA-N 1 2 346.427 1.958 20 30 EDEDLO COCCCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000078691713 441962924 /nfs/dbraw/zinc/96/29/24/441962924.db2.gz DKUNQATWNCJRNA-WMZOPIPTSA-N 1 2 344.459 1.410 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)C1CC1 ZINC000161380000 441992092 /nfs/dbraw/zinc/99/20/92/441992092.db2.gz MGSULKXOVMOACO-KGLIPLIRSA-N 1 2 333.354 1.430 20 30 EDEDLO N#Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC000151159041 442016574 /nfs/dbraw/zinc/01/65/74/442016574.db2.gz BMRCDIMTZUEMFQ-CQSZACIVSA-N 1 2 347.371 1.934 20 30 EDEDLO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)cn1 ZINC000126714556 442136758 /nfs/dbraw/zinc/13/67/58/442136758.db2.gz QIVNKEROKNEHOR-UHFFFAOYSA-N 1 2 326.404 1.451 20 30 EDEDLO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)[nH]3)CC2)cn1 ZINC000126714556 442136763 /nfs/dbraw/zinc/13/67/63/442136763.db2.gz QIVNKEROKNEHOR-UHFFFAOYSA-N 1 2 326.404 1.451 20 30 EDEDLO N#CCC(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000121069393 442172586 /nfs/dbraw/zinc/17/25/86/442172586.db2.gz BNYBHDDGQGLLCR-UHFFFAOYSA-N 1 2 345.428 1.789 20 30 EDEDLO CC(=O)NC[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176219470 442194171 /nfs/dbraw/zinc/19/41/71/442194171.db2.gz QDQRSTCPMVQUIY-MRXNPFEDSA-N 1 2 349.456 1.180 20 30 EDEDLO CC(=O)NC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000176219470 442194175 /nfs/dbraw/zinc/19/41/75/442194175.db2.gz QDQRSTCPMVQUIY-MRXNPFEDSA-N 1 2 349.456 1.180 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152355228 442202271 /nfs/dbraw/zinc/20/22/71/442202271.db2.gz RHZWOXPEWDYAHG-PMPSAXMXSA-N 1 2 335.448 1.597 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000152355228 442202275 /nfs/dbraw/zinc/20/22/75/442202275.db2.gz RHZWOXPEWDYAHG-PMPSAXMXSA-N 1 2 335.448 1.597 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000127591023 442213552 /nfs/dbraw/zinc/21/35/52/442213552.db2.gz KIPWAUVXSOHNEP-KGLIPLIRSA-N 1 2 338.452 1.688 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000127591023 442213556 /nfs/dbraw/zinc/21/35/56/442213556.db2.gz KIPWAUVXSOHNEP-KGLIPLIRSA-N 1 2 338.452 1.688 20 30 EDEDLO CC(C)n1cc[nH+]c1CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000176366604 442214543 /nfs/dbraw/zinc/21/45/43/442214543.db2.gz RCTKPLZDNVBQAZ-CQSZACIVSA-N 1 2 325.420 1.836 20 30 EDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000128040072 442241497 /nfs/dbraw/zinc/24/14/97/442241497.db2.gz FXQNLOKQUXSDOI-UHFFFAOYSA-N 1 2 327.306 1.886 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CSCC#N ZINC000170847350 442275209 /nfs/dbraw/zinc/27/52/09/442275209.db2.gz WBTNTQGSORMWDM-INIZCTEOSA-N 1 2 347.484 1.993 20 30 EDEDLO Cc1n[nH]c(C)c1[C@H](C)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000131373468 442371288 /nfs/dbraw/zinc/37/12/88/442371288.db2.gz CYOCDXLBONXEBJ-ZDUSSCGKSA-N 1 2 333.436 1.205 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCCN(C(C)C)C2=O)c1 ZINC000177688602 442371599 /nfs/dbraw/zinc/37/15/99/442371599.db2.gz ZTUOUPSVCXVNQH-KRWDZBQOSA-N 1 2 327.428 1.938 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCCN(C(C)C)C2=O)c1 ZINC000177688602 442371601 /nfs/dbraw/zinc/37/16/01/442371601.db2.gz ZTUOUPSVCXVNQH-KRWDZBQOSA-N 1 2 327.428 1.938 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000155609973 442412956 /nfs/dbraw/zinc/41/29/56/442412956.db2.gz YIQKKZHSUVPNEG-CYBMUJFWSA-N 1 2 336.399 1.158 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000155609973 442412957 /nfs/dbraw/zinc/41/29/57/442412957.db2.gz YIQKKZHSUVPNEG-CYBMUJFWSA-N 1 2 336.399 1.158 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1C#N ZINC000155665349 442417451 /nfs/dbraw/zinc/41/74/51/442417451.db2.gz MZFCINNDMZPZFU-GFCCVEGCSA-N 1 2 348.472 1.676 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1C#N ZINC000155665349 442417452 /nfs/dbraw/zinc/41/74/52/442417452.db2.gz MZFCINNDMZPZFU-GFCCVEGCSA-N 1 2 348.472 1.676 20 30 EDEDLO Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000178468345 442436529 /nfs/dbraw/zinc/43/65/29/442436529.db2.gz FZOLXNXTFJSYDH-ZIAGYGMSSA-N 1 2 344.415 1.031 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000134358462 442473390 /nfs/dbraw/zinc/47/33/90/442473390.db2.gz AVFMFFOHCQDROY-OAHLLOKOSA-N 1 2 337.445 1.469 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000134358462 442473394 /nfs/dbraw/zinc/47/33/94/442473394.db2.gz AVFMFFOHCQDROY-OAHLLOKOSA-N 1 2 337.445 1.469 20 30 EDEDLO C[NH+](C)C1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 ZINC000134941364 442539008 /nfs/dbraw/zinc/53/90/08/442539008.db2.gz YXRCNBFKYFCTGN-UHFFFAOYSA-N 1 2 335.429 1.150 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000134960321 442541377 /nfs/dbraw/zinc/54/13/77/442541377.db2.gz ACMZTNJSAMJKPS-OAHLLOKOSA-N 1 2 344.459 1.599 20 30 EDEDLO CC[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000134960321 442541381 /nfs/dbraw/zinc/54/13/81/442541381.db2.gz ACMZTNJSAMJKPS-OAHLLOKOSA-N 1 2 344.459 1.599 20 30 EDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H](C)[NH+]1C ZINC000135261325 442572723 /nfs/dbraw/zinc/57/27/23/442572723.db2.gz BYIICMHCUSGWGR-GHMZBOCLSA-N 1 2 327.837 1.925 20 30 EDEDLO COc1cccc(OCC[NH+]2CCN(C(=O)C(C)(C)C#N)CC2)c1 ZINC000158099811 442646711 /nfs/dbraw/zinc/64/67/11/442646711.db2.gz ZBRXINSVNZPODX-UHFFFAOYSA-N 1 2 331.416 1.768 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000180553854 442621738 /nfs/dbraw/zinc/62/17/38/442621738.db2.gz WXDFJQHUIBEXOA-INIZCTEOSA-N 1 2 346.479 1.643 20 30 EDEDLO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000182001968 442727028 /nfs/dbraw/zinc/72/70/28/442727028.db2.gz XZSFULIMVGYATM-YOEHRIQHSA-N 1 2 333.457 1.424 20 30 EDEDLO COC(=O)C[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000268128367 442860062 /nfs/dbraw/zinc/86/00/62/442860062.db2.gz DSOLVMZEKDGNHF-CQSZACIVSA-N 1 2 329.400 1.402 20 30 EDEDLO C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000183193793 442899350 /nfs/dbraw/zinc/89/93/50/442899350.db2.gz GCFAKHBVZAAIDI-CYBMUJFWSA-N 1 2 342.399 1.442 20 30 EDEDLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 ZINC000183763190 442961578 /nfs/dbraw/zinc/96/15/78/442961578.db2.gz AOLURGQEGWFDHI-UHFFFAOYSA-N 1 2 333.457 1.746 20 30 EDEDLO COC[C@H]1C[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000189471349 442962593 /nfs/dbraw/zinc/96/25/93/442962593.db2.gz SHVVUIZDFXBDIS-IAOVAPTHSA-N 1 2 329.400 1.399 20 30 EDEDLO COC[C@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 ZINC000189471349 442962595 /nfs/dbraw/zinc/96/25/95/442962595.db2.gz SHVVUIZDFXBDIS-IAOVAPTHSA-N 1 2 329.400 1.399 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000193058302 318582296 /nfs/dbraw/zinc/58/22/96/318582296.db2.gz URDNJSOUEYZEMK-UHFFFAOYSA-N 1 2 341.390 1.712 20 30 EDEDLO Cn1cc([C@]2(C)C[N@H+](CCOc3cccc(C#N)c3)CCO2)cn1 ZINC000268413884 442980303 /nfs/dbraw/zinc/98/03/03/442980303.db2.gz BDJCTPJYNZBHGV-SFHVURJKSA-N 1 2 326.400 1.918 20 30 EDEDLO Cn1cc([C@]2(C)C[N@@H+](CCOc3cccc(C#N)c3)CCO2)cn1 ZINC000268413884 442980305 /nfs/dbraw/zinc/98/03/05/442980305.db2.gz BDJCTPJYNZBHGV-SFHVURJKSA-N 1 2 326.400 1.918 20 30 EDEDLO CCS(=O)(=O)C1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000195163455 442991442 /nfs/dbraw/zinc/99/14/42/442991442.db2.gz BDBGVJCUDKIKIZ-UHFFFAOYSA-N 1 2 332.429 1.605 20 30 EDEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189689176 442994477 /nfs/dbraw/zinc/99/44/77/442994477.db2.gz HQGAEZDRYMIDJZ-ZDUSSCGKSA-N 1 2 330.436 1.170 20 30 EDEDLO CC#CCCCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000184313668 443010871 /nfs/dbraw/zinc/01/08/71/443010871.db2.gz WEUCCCQEWMQSFK-UHFFFAOYSA-N 1 2 326.404 1.206 20 30 EDEDLO COc1cccc(CNC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C)c1 ZINC000266200488 443054344 /nfs/dbraw/zinc/05/43/44/443054344.db2.gz LEICHMSVGMRNCN-CYBMUJFWSA-N 1 2 337.420 1.661 20 30 EDEDLO CC(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610988887 450398762 /nfs/dbraw/zinc/39/87/62/450398762.db2.gz VLVDMTKVFOLSQZ-AEFFLSMTSA-N 1 2 346.427 1.908 20 30 EDEDLO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610988887 450398759 /nfs/dbraw/zinc/39/87/59/450398759.db2.gz VLVDMTKVFOLSQZ-AEFFLSMTSA-N 1 2 346.427 1.908 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)C[C@H](C)C#N)c(OC)c1 ZINC000263693102 443236265 /nfs/dbraw/zinc/23/62/65/443236265.db2.gz LVDRKAIHDIMILC-TZMCWYRMSA-N 1 2 336.388 1.313 20 30 EDEDLO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)C[C@H](C)C#N)c(OC)c1 ZINC000263693102 443236268 /nfs/dbraw/zinc/23/62/68/443236268.db2.gz LVDRKAIHDIMILC-TZMCWYRMSA-N 1 2 336.388 1.313 20 30 EDEDLO C=CCNc1ncc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)s1 ZINC000185446527 443201222 /nfs/dbraw/zinc/20/12/22/443201222.db2.gz XHCBLKSSBJTZDD-UHFFFAOYSA-N 1 2 344.444 1.802 20 30 EDEDLO COc1ccc(F)cc1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000185734418 443247091 /nfs/dbraw/zinc/24/70/91/443247091.db2.gz PQEAFFBQOQEPOD-UHFFFAOYSA-N 1 2 349.406 1.451 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCN(C)C(=O)C2)cc1 ZINC000191156247 443250184 /nfs/dbraw/zinc/25/01/84/443250184.db2.gz WXCGPLVTRQANTA-INIZCTEOSA-N 1 2 342.443 1.794 20 30 EDEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCN(C)C(=O)C2)cc1 ZINC000191156247 443250188 /nfs/dbraw/zinc/25/01/88/443250188.db2.gz WXCGPLVTRQANTA-INIZCTEOSA-N 1 2 342.443 1.794 20 30 EDEDLO Cc1ncc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)s1 ZINC000264472919 443304471 /nfs/dbraw/zinc/30/44/71/443304471.db2.gz OBCCHMSYBRFELG-UHFFFAOYSA-N 1 2 344.400 1.949 20 30 EDEDLO CC(C)N1CC[C@H]([NH+]2CCN(Cc3ccc(C#N)cc3)CC2)C1=O ZINC000267011500 443313098 /nfs/dbraw/zinc/31/30/98/443313098.db2.gz HQPRXTNQEGIEKI-SFHVURJKSA-N 1 2 326.444 1.685 20 30 EDEDLO CC(C)N1CC[C@H](N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000267011500 443313101 /nfs/dbraw/zinc/31/31/01/443313101.db2.gz HQPRXTNQEGIEKI-SFHVURJKSA-N 1 2 326.444 1.685 20 30 EDEDLO COCCOc1cccc(CNC(=O)C[N@H+](CCC#N)CC2CC2)c1 ZINC000267029278 443317991 /nfs/dbraw/zinc/31/79/91/443317991.db2.gz AUFRKSCEBXNLCH-UHFFFAOYSA-N 1 2 345.443 1.954 20 30 EDEDLO COCCOc1cccc(CNC(=O)C[N@@H+](CCC#N)CC2CC2)c1 ZINC000267029278 443317995 /nfs/dbraw/zinc/31/79/95/443317995.db2.gz AUFRKSCEBXNLCH-UHFFFAOYSA-N 1 2 345.443 1.954 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000267030677 443318030 /nfs/dbraw/zinc/31/80/30/443318030.db2.gz BAEJRINTNFTKMR-UHFFFAOYSA-N 1 2 340.387 1.481 20 30 EDEDLO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccc(C#N)o3)C2)no1 ZINC000269484323 443322649 /nfs/dbraw/zinc/32/26/49/443322649.db2.gz REJYCSQJCGAIDP-CYBMUJFWSA-N 1 2 343.387 1.720 20 30 EDEDLO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)no1 ZINC000269484323 443322652 /nfs/dbraw/zinc/32/26/52/443322652.db2.gz REJYCSQJCGAIDP-CYBMUJFWSA-N 1 2 343.387 1.720 20 30 EDEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267329991 443420713 /nfs/dbraw/zinc/42/07/13/443420713.db2.gz BPETZXBGNKIEMA-INIZCTEOSA-N 1 2 341.459 1.866 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000264798512 443430001 /nfs/dbraw/zinc/43/00/01/443430001.db2.gz SWURSTKBLFOSNI-OAHLLOKOSA-N 1 2 345.447 1.713 20 30 EDEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000264798512 443430003 /nfs/dbraw/zinc/43/00/03/443430003.db2.gz SWURSTKBLFOSNI-OAHLLOKOSA-N 1 2 345.447 1.713 20 30 EDEDLO CC(C)(C(N)=O)[NH+]1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000267518925 443483809 /nfs/dbraw/zinc/48/38/09/443483809.db2.gz OOJRRGJPQULBHK-UHFFFAOYSA-N 1 2 341.337 1.358 20 30 EDEDLO Cc1cc(NCC[N@@H+]2CCNC(=O)C2)n2c3ccccc3nc2c1C#N ZINC000272853863 443468326 /nfs/dbraw/zinc/46/83/26/443468326.db2.gz HPSFJUOJBLXHQE-UHFFFAOYSA-N 1 2 348.410 1.511 20 30 EDEDLO Cc1cc(NCC[N@H+]2CCNC(=O)C2)n2c3ccccc3nc2c1C#N ZINC000272853863 443468329 /nfs/dbraw/zinc/46/83/29/443468329.db2.gz HPSFJUOJBLXHQE-UHFFFAOYSA-N 1 2 348.410 1.511 20 30 EDEDLO C=CCN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000282924332 443471146 /nfs/dbraw/zinc/47/11/46/443471146.db2.gz JBGGEZHCHWNKAE-KRWDZBQOSA-N 1 2 326.400 1.672 20 30 EDEDLO C=CCN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000282924332 443471149 /nfs/dbraw/zinc/47/11/49/443471149.db2.gz JBGGEZHCHWNKAE-KRWDZBQOSA-N 1 2 326.400 1.672 20 30 EDEDLO COC[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000273052622 443528878 /nfs/dbraw/zinc/52/88/78/443528878.db2.gz XOHMBSVEXDHIEG-QGZVFWFLSA-N 1 2 346.431 1.047 20 30 EDEDLO N#Cc1cnc(Nc2cnn(CC[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000265111845 443536587 /nfs/dbraw/zinc/53/65/87/443536587.db2.gz HQSWESFZGHUDCQ-UHFFFAOYSA-N 1 2 332.795 1.879 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000265185847 443562498 /nfs/dbraw/zinc/56/24/98/443562498.db2.gz QYBUQRYBJULQGY-JKSUJKDBSA-N 1 2 345.443 1.607 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc2c1OCCO2 ZINC000265207170 443569933 /nfs/dbraw/zinc/56/99/33/443569933.db2.gz FDHMVHFZNWENLI-UHFFFAOYSA-N 1 2 345.399 1.146 20 30 EDEDLO Cc1ccc([C@H](CNC(=O)NCCCC#N)[NH+]2CCOCC2)cc1 ZINC000273142973 443549640 /nfs/dbraw/zinc/54/96/40/443549640.db2.gz VXTQUORSJZTECZ-KRWDZBQOSA-N 1 2 330.432 1.971 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000279706776 443622189 /nfs/dbraw/zinc/62/21/89/443622189.db2.gz HOCGHZPRZLVJTB-CLCXKQKWSA-N 1 2 343.427 1.443 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000279706776 443622190 /nfs/dbraw/zinc/62/21/90/443622190.db2.gz HOCGHZPRZLVJTB-CLCXKQKWSA-N 1 2 343.427 1.443 20 30 EDEDLO C[C@H](NC(=O)CO[NH+]=C(N)CCO)c1ccc(OC(F)(F)F)cc1 ZINC000275487297 443628994 /nfs/dbraw/zinc/62/89/94/443628994.db2.gz OGAGGCYRFVZSBC-VIFPVBQESA-N 1 2 349.309 1.434 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000279851845 443633160 /nfs/dbraw/zinc/63/31/60/443633160.db2.gz SBHUIYWYPKLOJO-LBTNJELSSA-N 1 2 329.400 1.765 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000279851845 443633164 /nfs/dbraw/zinc/63/31/64/443633164.db2.gz SBHUIYWYPKLOJO-LBTNJELSSA-N 1 2 329.400 1.765 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CC1(C#N)CC1)c1ccccc1F ZINC000274184022 443597550 /nfs/dbraw/zinc/59/75/50/443597550.db2.gz JQILDVBQEWXACD-AWEZNQCLSA-N 1 2 348.403 1.872 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCC#Cc2ccccc2)C1 ZINC000276185579 443664413 /nfs/dbraw/zinc/66/44/13/443664413.db2.gz BZBSBNBCKKTBGD-IBGZPJMESA-N 1 2 341.455 1.790 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCC#Cc2ccccc2)C1 ZINC000276185579 443664418 /nfs/dbraw/zinc/66/44/18/443664418.db2.gz BZBSBNBCKKTBGD-IBGZPJMESA-N 1 2 341.455 1.790 20 30 EDEDLO C=CC[C@H](CO)NC(=O)N[C@@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000286721213 443722210 /nfs/dbraw/zinc/72/22/10/443722210.db2.gz DPOMXFJBKXSLJT-HUUCEWRRSA-N 1 2 336.436 1.607 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@](O)(c2cn[nH]n2)C1 ZINC000287095811 443735509 /nfs/dbraw/zinc/73/55/09/443735509.db2.gz WASWQYBLPXQNLT-CQSZACIVSA-N 1 2 348.204 1.532 20 30 EDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@](O)(c2cn[nH]n2)C1 ZINC000287095811 443735514 /nfs/dbraw/zinc/73/55/14/443735514.db2.gz WASWQYBLPXQNLT-CQSZACIVSA-N 1 2 348.204 1.532 20 30 EDEDLO N#CC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCC1 ZINC000280694238 443740552 /nfs/dbraw/zinc/74/05/52/443740552.db2.gz OYKLSMMXVYJBCD-SJORKVTESA-N 1 2 325.412 1.792 20 30 EDEDLO N#CC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCC1 ZINC000280694238 443740557 /nfs/dbraw/zinc/74/05/57/443740557.db2.gz OYKLSMMXVYJBCD-SJORKVTESA-N 1 2 325.412 1.792 20 30 EDEDLO C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1 ZINC000292431295 443795641 /nfs/dbraw/zinc/79/56/41/443795641.db2.gz XHTQNUSROYOAKL-ZACQAIPSSA-N 1 2 328.416 1.266 20 30 EDEDLO C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1 ZINC000292431295 443795644 /nfs/dbraw/zinc/79/56/44/443795644.db2.gz XHTQNUSROYOAKL-ZACQAIPSSA-N 1 2 328.416 1.266 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000291522963 443760489 /nfs/dbraw/zinc/76/04/89/443760489.db2.gz VHLGUXMOPAUONV-IIDMSEBBSA-N 1 2 343.427 1.647 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC000292678959 443816199 /nfs/dbraw/zinc/81/61/99/443816199.db2.gz QXIXCQLAFVTQTF-UHFFFAOYSA-N 1 2 345.834 1.177 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC000292678959 443816201 /nfs/dbraw/zinc/81/62/01/443816201.db2.gz QXIXCQLAFVTQTF-UHFFFAOYSA-N 1 2 345.834 1.177 20 30 EDEDLO CO[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1OC ZINC000276843902 443849391 /nfs/dbraw/zinc/84/93/91/443849391.db2.gz ICCUROPMDPCHEC-HDICACEKSA-N 1 2 345.443 1.896 20 30 EDEDLO CO[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1OC ZINC000276843902 443849397 /nfs/dbraw/zinc/84/93/97/443849397.db2.gz ICCUROPMDPCHEC-HDICACEKSA-N 1 2 345.443 1.896 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2COC)C1=O ZINC000281356639 443889401 /nfs/dbraw/zinc/88/94/01/443889401.db2.gz NNZWKWKVDSUXJN-QGZVFWFLSA-N 1 2 345.443 1.168 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCc2ccccc2COC)C1=O ZINC000281356639 443889404 /nfs/dbraw/zinc/88/94/04/443889404.db2.gz NNZWKWKVDSUXJN-QGZVFWFLSA-N 1 2 345.443 1.168 20 30 EDEDLO COC(=O)[C@H]1CC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000285129027 443866207 /nfs/dbraw/zinc/86/62/07/443866207.db2.gz QKXHFTQMSPJKKL-IRXDYDNUSA-N 1 2 341.411 1.402 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)NCc2ccccc2F)C1=O ZINC000281458070 443917461 /nfs/dbraw/zinc/91/74/61/443917461.db2.gz VCEXTAFYQNBLEN-CJNGLKHVSA-N 1 2 333.407 1.549 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCc2ccccc2F)C1=O ZINC000281458070 443917465 /nfs/dbraw/zinc/91/74/65/443917465.db2.gz VCEXTAFYQNBLEN-CJNGLKHVSA-N 1 2 333.407 1.549 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285407524 443973024 /nfs/dbraw/zinc/97/30/24/443973024.db2.gz UONZFOXCSFKWEP-KBXCAEBGSA-N 1 2 329.400 1.767 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285407524 443973028 /nfs/dbraw/zinc/97/30/28/443973028.db2.gz UONZFOXCSFKWEP-KBXCAEBGSA-N 1 2 329.400 1.767 20 30 EDEDLO CC#CC[N@H+](C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000293322479 443983392 /nfs/dbraw/zinc/98/33/92/443983392.db2.gz XOUUSTIQPFVUER-UHFFFAOYSA-N 1 2 327.428 1.819 20 30 EDEDLO CC#CC[N@@H+](C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000293322479 443983398 /nfs/dbraw/zinc/98/33/98/443983398.db2.gz XOUUSTIQPFVUER-UHFFFAOYSA-N 1 2 327.428 1.819 20 30 EDEDLO C#CCOc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000285580326 444035395 /nfs/dbraw/zinc/03/53/95/444035395.db2.gz ASPVEHXVKWBQCL-RDJZCZTQSA-N 1 2 328.412 1.634 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+](CC)CC(=O)OC)c(OC)c1 ZINC000299319093 444016737 /nfs/dbraw/zinc/01/67/37/444016737.db2.gz HSHSCIATVUOOBR-OAHLLOKOSA-N 1 2 337.416 1.658 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+](CC)CC(=O)OC)c(OC)c1 ZINC000299319093 444016741 /nfs/dbraw/zinc/01/67/41/444016741.db2.gz HSHSCIATVUOOBR-OAHLLOKOSA-N 1 2 337.416 1.658 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(C[C@H](O)c3ccccc3)CC2)C1=O ZINC000281992207 444056996 /nfs/dbraw/zinc/05/69/96/444056996.db2.gz MWRPQHDYCVJGNS-ROUUACIJSA-N 1 2 329.444 1.125 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)C1=O ZINC000281994422 444057633 /nfs/dbraw/zinc/05/76/33/444057633.db2.gz MZXGJPGADFIKBC-MRXNPFEDSA-N 1 2 347.415 1.361 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)C1=O ZINC000281994422 444057635 /nfs/dbraw/zinc/05/76/35/444057635.db2.gz MZXGJPGADFIKBC-MRXNPFEDSA-N 1 2 347.415 1.361 20 30 EDEDLO C=CCN1CC[C@H](N(C)c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1=O ZINC000282005366 444060395 /nfs/dbraw/zinc/06/03/95/444060395.db2.gz WSBHZEQMQDADHH-CABCVRRESA-N 1 2 345.447 1.051 20 30 EDEDLO C=CCN1CC[C@H](N(C)c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1=O ZINC000282005366 444060398 /nfs/dbraw/zinc/06/03/98/444060398.db2.gz WSBHZEQMQDADHH-CABCVRRESA-N 1 2 345.447 1.051 20 30 EDEDLO C=CCOc1ccc(CC(=O)NCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000294660373 444133550 /nfs/dbraw/zinc/13/35/50/444133550.db2.gz ZFFOECSSEWSGSL-UHFFFAOYSA-N 1 2 345.443 1.074 20 30 EDEDLO C#CC[C@@]1(C(=O)NCCn2cc[nH+]c2)CCCN1C(=O)OC(C)(C)C ZINC000289373108 444122623 /nfs/dbraw/zinc/12/26/23/444122623.db2.gz ZYKFUVDUZSPKMM-SFHVURJKSA-N 1 2 346.431 1.792 20 30 EDEDLO COCc1n[nH]c([C@H]2CCCC[N@@H+]2CCC(=O)N(C)CCC#N)n1 ZINC000289856640 444211994 /nfs/dbraw/zinc/21/19/94/444211994.db2.gz QNYFPXBGWBPAAX-CYBMUJFWSA-N 1 2 334.424 1.240 20 30 EDEDLO COCc1n[nH]c([C@H]2CCCC[N@H+]2CCC(=O)N(C)CCC#N)n1 ZINC000289856640 444211995 /nfs/dbraw/zinc/21/19/95/444211995.db2.gz QNYFPXBGWBPAAX-CYBMUJFWSA-N 1 2 334.424 1.240 20 30 EDEDLO CCCn1cc(C[N@@H+]2CCCN(S(=O)(=O)CCC#N)CC2)cn1 ZINC000295241761 444173424 /nfs/dbraw/zinc/17/34/24/444173424.db2.gz PKKXDTFQYDTTPC-UHFFFAOYSA-N 1 2 339.465 1.044 20 30 EDEDLO CCCn1cc(C[N@H+]2CCCN(S(=O)(=O)CCC#N)CC2)cn1 ZINC000295241761 444173427 /nfs/dbraw/zinc/17/34/27/444173427.db2.gz PKKXDTFQYDTTPC-UHFFFAOYSA-N 1 2 339.465 1.044 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCOC[C@H](O)C1 ZINC000295608954 444190342 /nfs/dbraw/zinc/19/03/42/444190342.db2.gz NQGDKRCJVSVWRV-HUUCEWRRSA-N 1 2 347.415 1.023 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCOC[C@H](O)C1 ZINC000295608954 444190343 /nfs/dbraw/zinc/19/03/43/444190343.db2.gz NQGDKRCJVSVWRV-HUUCEWRRSA-N 1 2 347.415 1.023 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305195974 444264313 /nfs/dbraw/zinc/26/43/13/444264313.db2.gz ZHMMRJYFIXALAC-UONOGXRCSA-N 1 2 335.370 1.676 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302884598 444230101 /nfs/dbraw/zinc/23/01/01/444230101.db2.gz LVUAMGFNJBFPFM-HNNXBMFYSA-N 1 2 337.427 1.563 20 30 EDEDLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CCCO1 ZINC000328792656 444354441 /nfs/dbraw/zinc/35/44/41/444354441.db2.gz AIYFESAXMKSWBL-RDBSUJKOSA-N 1 2 332.466 1.265 20 30 EDEDLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)CCCO1 ZINC000328792656 444354446 /nfs/dbraw/zinc/35/44/46/444354446.db2.gz AIYFESAXMKSWBL-RDBSUJKOSA-N 1 2 332.466 1.265 20 30 EDEDLO C[C@H](NC(=O)NCc1ncnn1C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000328821450 444364455 /nfs/dbraw/zinc/36/44/55/444364455.db2.gz OYCWUFLJFJITEI-STQMWFEESA-N 1 2 338.456 1.146 20 30 EDEDLO CC(C)(C)OC(=O)C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000340187773 444367725 /nfs/dbraw/zinc/36/77/25/444367725.db2.gz BHYASGBWQXTWII-GOSISDBHSA-N 1 2 335.448 1.849 20 30 EDEDLO CCOC1CC(CNC(=O)N2CC[C@H](C)C2)([NH+]2CCOCC2)C1 ZINC000328644218 444410882 /nfs/dbraw/zinc/41/08/82/444410882.db2.gz AMUFMNSUEJSHIA-UQPPLGOBSA-N 1 2 325.453 1.512 20 30 EDEDLO C[C@@H](C(=O)NCC(C)(C)N1CCS(=O)CC1)[NH+]1CCSCC1 ZINC000328941131 444413537 /nfs/dbraw/zinc/41/35/37/444413537.db2.gz HWEACKJJHRNOHC-ZDUSSCGKSA-N 1 2 347.550 1.223 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C#N ZINC000326829936 444378866 /nfs/dbraw/zinc/37/88/66/444378866.db2.gz JBFYJOBDNZBWKC-UHFFFAOYSA-N 1 2 343.412 1.168 20 30 EDEDLO CCc1nc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000331084746 444388496 /nfs/dbraw/zinc/38/84/96/444388496.db2.gz OAAQQSIWTQBOPG-UHFFFAOYSA-N 1 2 325.372 1.462 20 30 EDEDLO C[N@@H+]1C[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H](c2ccccc2)C1 ZINC000329030945 444451738 /nfs/dbraw/zinc/45/17/38/444451738.db2.gz PQALQCGZGWNGGE-CVEARBPZSA-N 1 2 336.457 1.866 20 30 EDEDLO C[N@H+]1C[C@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H](c2ccccc2)C1 ZINC000329030945 444451743 /nfs/dbraw/zinc/45/17/43/444451743.db2.gz PQALQCGZGWNGGE-CVEARBPZSA-N 1 2 336.457 1.866 20 30 EDEDLO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331310517 444463930 /nfs/dbraw/zinc/46/39/30/444463930.db2.gz YTATYUOCDHNUJP-IUCAKERBSA-N 1 2 347.341 1.656 20 30 EDEDLO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000331310517 444463933 /nfs/dbraw/zinc/46/39/33/444463933.db2.gz YTATYUOCDHNUJP-IUCAKERBSA-N 1 2 347.341 1.656 20 30 EDEDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc(C#N)nc3)[nH+]c2c1 ZINC000337939553 444465745 /nfs/dbraw/zinc/46/57/45/444465745.db2.gz QCJBLDDORSMKNN-UHFFFAOYSA-N 1 2 327.369 1.388 20 30 EDEDLO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328692622 444431898 /nfs/dbraw/zinc/43/18/98/444431898.db2.gz JFZYBQIBSYRGJY-OFQRWUPVSA-N 1 2 333.432 1.970 20 30 EDEDLO Cn1cc(C[NH+]2CCN(C(=O)NCC3(C)CCOCC3)CC2)cn1 ZINC000329123053 444477565 /nfs/dbraw/zinc/47/75/65/444477565.db2.gz LFBITXWARSLIJK-UHFFFAOYSA-N 1 2 335.452 1.268 20 30 EDEDLO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000331689339 444482635 /nfs/dbraw/zinc/48/26/35/444482635.db2.gz SXEHXUMWTVHWQR-GDBMZVCRSA-N 1 2 332.473 1.674 20 30 EDEDLO CCCCn1c2nc(C[NH2+][C@H]3CCC[C@@H]3C#N)n(C)c2c(=O)[nH]c1=O ZINC000331751013 444486272 /nfs/dbraw/zinc/48/62/72/444486272.db2.gz GMEOLMXZIZTNGY-NEPJUHHUSA-N 1 2 344.419 1.418 20 30 EDEDLO C[C@@H]1C[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CCO1 ZINC000329161776 444488405 /nfs/dbraw/zinc/48/84/05/444488405.db2.gz FKWJHAOKANYWBH-BPLDGKMQSA-N 1 2 336.436 1.959 20 30 EDEDLO N#Cc1cccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)n1 ZINC000580713582 322086240 /nfs/dbraw/zinc/08/62/40/322086240.db2.gz YKBNPTWOLRGESP-UHFFFAOYSA-N 1 2 338.371 1.507 20 30 EDEDLO CC(C)(C)OC[C@H](O)C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000338186363 444554790 /nfs/dbraw/zinc/55/47/90/444554790.db2.gz POAYFJKGEDSXMB-PJIJBLCYSA-N 1 2 343.427 1.508 20 30 EDEDLO CC(C)(C)OC[C@H](O)C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000338186363 444554797 /nfs/dbraw/zinc/55/47/97/444554797.db2.gz POAYFJKGEDSXMB-PJIJBLCYSA-N 1 2 343.427 1.508 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000343739617 444556476 /nfs/dbraw/zinc/55/64/76/444556476.db2.gz YKKYIUCPCOKOMF-HNNXBMFYSA-N 1 2 325.409 1.601 20 30 EDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000343739617 444556481 /nfs/dbraw/zinc/55/64/81/444556481.db2.gz YKKYIUCPCOKOMF-HNNXBMFYSA-N 1 2 325.409 1.601 20 30 EDEDLO Cn1ncc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1C#N ZINC000338261648 444594722 /nfs/dbraw/zinc/59/47/22/444594722.db2.gz QCZYNODCSRKUFQ-CQSZACIVSA-N 1 2 329.791 1.732 20 30 EDEDLO Cc1cnn(C[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)CCO2)c1 ZINC000329500686 444605115 /nfs/dbraw/zinc/60/51/15/444605115.db2.gz ABVBMGTUZOETGZ-KGLIPLIRSA-N 1 2 344.419 1.087 20 30 EDEDLO Cc1cnn(C[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH+]c[nH]c4C3)CCO2)c1 ZINC000329500686 444605119 /nfs/dbraw/zinc/60/51/19/444605119.db2.gz ABVBMGTUZOETGZ-KGLIPLIRSA-N 1 2 344.419 1.087 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000338355933 444652613 /nfs/dbraw/zinc/65/26/13/444652613.db2.gz HPMFZPRLVKLWLL-KYJSFNMBSA-N 1 2 349.427 1.417 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000338355933 444652616 /nfs/dbraw/zinc/65/26/16/444652616.db2.gz HPMFZPRLVKLWLL-KYJSFNMBSA-N 1 2 349.427 1.417 20 30 EDEDLO C[C@H](NS(=O)(=O)CC1(C#N)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000329631289 444656939 /nfs/dbraw/zinc/65/69/39/444656939.db2.gz RJBMTJOJSKDBHX-AWEZNQCLSA-N 1 2 341.477 1.243 20 30 EDEDLO COC1CCC(CCNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000329651689 444665522 /nfs/dbraw/zinc/66/55/22/444665522.db2.gz CYSNQZWOHQNNST-CKUJCDMFSA-N 1 2 325.453 1.511 20 30 EDEDLO COC1CCC(CCNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000329651689 444665527 /nfs/dbraw/zinc/66/55/27/444665527.db2.gz CYSNQZWOHQNNST-CKUJCDMFSA-N 1 2 325.453 1.511 20 30 EDEDLO O=C(C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)Nc1nc2c(s1)CCC2 ZINC000329656597 444667990 /nfs/dbraw/zinc/66/79/90/444667990.db2.gz MTCWUATYDMDLIG-UHFFFAOYSA-N 1 2 348.432 1.923 20 30 EDEDLO Cc1nc(C[C@@H]2CCCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)C2)no1 ZINC000329604541 444644919 /nfs/dbraw/zinc/64/49/19/444644919.db2.gz GYLCXFZKCZXLEX-STQMWFEESA-N 1 2 344.419 1.827 20 30 EDEDLO Cc1nc(C[C@@H]2CCCN(C([O-])=[NH+][C@H]3CCc4[nH+]c[nH]c4C3)C2)no1 ZINC000329604541 444644926 /nfs/dbraw/zinc/64/49/26/444644926.db2.gz GYLCXFZKCZXLEX-STQMWFEESA-N 1 2 344.419 1.827 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000329745478 444698535 /nfs/dbraw/zinc/69/85/35/444698535.db2.gz RGXFYLXFMBWZLE-YGRLFVJLSA-N 1 2 346.353 1.960 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000329745478 444698538 /nfs/dbraw/zinc/69/85/38/444698538.db2.gz RGXFYLXFMBWZLE-YGRLFVJLSA-N 1 2 346.353 1.960 20 30 EDEDLO CC(C)(C)n1cnc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000329759305 444705752 /nfs/dbraw/zinc/70/57/52/444705752.db2.gz ORVCKNPTUIAHRT-UHFFFAOYSA-N 1 2 343.435 2.554 20 30 EDEDLO CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000329758944 444706127 /nfs/dbraw/zinc/70/61/27/444706127.db2.gz OGPPWSQBRCQAJY-AWEZNQCLSA-N 1 2 342.403 1.357 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc([S@](C)=O)c(F)c3)C[C@@H]21 ZINC000329776431 444712791 /nfs/dbraw/zinc/71/27/91/444712791.db2.gz JXWDOIIEJLWNNX-BTELXILVSA-N 1 2 341.408 1.123 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc([S@](C)=O)c(F)c3)C[C@@H]21 ZINC000329776431 444712796 /nfs/dbraw/zinc/71/27/96/444712796.db2.gz JXWDOIIEJLWNNX-BTELXILVSA-N 1 2 341.408 1.123 20 30 EDEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1NC(C)=O ZINC000329844001 444737522 /nfs/dbraw/zinc/73/75/22/444737522.db2.gz OHLNMSVFOGVTIC-GOEBONIOSA-N 1 2 348.403 1.863 20 30 EDEDLO COc1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1NC(C)=O ZINC000329844001 444737527 /nfs/dbraw/zinc/73/75/27/444737527.db2.gz OHLNMSVFOGVTIC-GOEBONIOSA-N 1 2 348.403 1.863 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CCO2 ZINC000329896656 444757500 /nfs/dbraw/zinc/75/75/00/444757500.db2.gz COOAUQGHQCKVTC-ACJLOTCBSA-N 1 2 340.383 1.988 20 30 EDEDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1nnc(-c3cccc(C#N)c3)o1)CCO2 ZINC000329896656 444757504 /nfs/dbraw/zinc/75/75/04/444757504.db2.gz COOAUQGHQCKVTC-ACJLOTCBSA-N 1 2 340.383 1.988 20 30 EDEDLO CO[C@@H]1C[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1(C)C ZINC000329975254 444795437 /nfs/dbraw/zinc/79/54/37/444795437.db2.gz YAKNDLYGVZPRAD-HZSPNIEDSA-N 1 2 335.452 1.436 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccnc(C(F)(F)F)c2)CC1 ZINC000341476434 444851609 /nfs/dbraw/zinc/85/16/09/444851609.db2.gz USLGOCHRNZWAFY-UHFFFAOYSA-N 1 2 328.338 1.525 20 30 EDEDLO CCN(CC)c1ccc(CNS(=O)(=O)N(CC)CCC#N)c[nH+]1 ZINC000336925023 444856058 /nfs/dbraw/zinc/85/60/58/444856058.db2.gz UPXNNWSPLDIVAF-UHFFFAOYSA-N 1 2 339.465 1.498 20 30 EDEDLO O=C(Nc1ccccc1)N1CCC[C@H]1C(=O)N1CCn2cc[nH+]c2C1 ZINC000330133578 444856175 /nfs/dbraw/zinc/85/61/75/444856175.db2.gz MBIWWZCFEZGJEX-HNNXBMFYSA-N 1 2 339.399 1.935 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)CCC2 ZINC000330187849 444878957 /nfs/dbraw/zinc/87/89/57/444878957.db2.gz KRRQEDDJLLZPEP-ZDUSSCGKSA-N 1 2 345.428 1.623 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@@]2(CCOC2)O1 ZINC000330149331 444863070 /nfs/dbraw/zinc/86/30/70/444863070.db2.gz KBAGVMZBWWOOKY-SIXWZSSISA-N 1 2 346.427 1.826 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@@]2(CCOC2)O1 ZINC000330149331 444863074 /nfs/dbraw/zinc/86/30/74/444863074.db2.gz KBAGVMZBWWOOKY-SIXWZSSISA-N 1 2 346.427 1.826 20 30 EDEDLO COC(=O)[C@H](CC(F)(F)F)NCc1c[nH+]c2ccc(C#N)cn12 ZINC000342779348 444863302 /nfs/dbraw/zinc/86/33/02/444863302.db2.gz CHJLEFABZUKOLG-NSHDSACASA-N 1 2 326.278 1.790 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000330289665 444924408 /nfs/dbraw/zinc/92/44/08/444924408.db2.gz CAKWVHWUSKMAFU-SYQHCUMBSA-N 1 2 344.415 1.718 20 30 EDEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000330376928 444958255 /nfs/dbraw/zinc/95/82/55/444958255.db2.gz PLQYVFXONRIFCD-CQSZACIVSA-N 1 2 340.449 1.124 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@H](C)CS(C)(=O)=O)CCC2 ZINC000330386050 444962063 /nfs/dbraw/zinc/96/20/63/444962063.db2.gz AOIYJRYTRKHIBX-OLZOCXBDSA-N 1 2 342.465 1.348 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000337084755 444936114 /nfs/dbraw/zinc/93/61/14/444936114.db2.gz CVCVPUPIOFGECU-UHFFFAOYSA-N 1 2 333.417 1.442 20 30 EDEDLO COC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)CC(C)(C)O1 ZINC000330545465 445028539 /nfs/dbraw/zinc/02/85/39/445028539.db2.gz VAHHPVQNURHBAX-OLZOCXBDSA-N 1 2 329.441 1.187 20 30 EDEDLO COC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)CC(C)(C)O1 ZINC000330545465 445028542 /nfs/dbraw/zinc/02/85/42/445028542.db2.gz VAHHPVQNURHBAX-OLZOCXBDSA-N 1 2 329.441 1.187 20 30 EDEDLO Cc1noc(CN2CC[NH+](CCOc3ccc(C#N)cc3)CC2)n1 ZINC000337232120 444996737 /nfs/dbraw/zinc/99/67/37/444996737.db2.gz XTOFXHDVGFUHEA-UHFFFAOYSA-N 1 2 327.388 1.446 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1=O ZINC000337232020 444996841 /nfs/dbraw/zinc/99/68/41/444996841.db2.gz UZZLSAWERWDPSN-CQSZACIVSA-N 1 2 329.360 1.690 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1=O ZINC000337232020 444996844 /nfs/dbraw/zinc/99/68/44/444996844.db2.gz UZZLSAWERWDPSN-CQSZACIVSA-N 1 2 329.360 1.690 20 30 EDEDLO CN(C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000330477353 444997605 /nfs/dbraw/zinc/99/76/05/444997605.db2.gz MASJOWDQJXAISF-GJZGRUSLSA-N 1 2 339.461 1.322 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000330687279 445096454 /nfs/dbraw/zinc/09/64/54/445096454.db2.gz BUCHYFBDKOERPH-CQSZACIVSA-N 1 2 337.468 1.072 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000330687279 445096457 /nfs/dbraw/zinc/09/64/57/445096457.db2.gz BUCHYFBDKOERPH-CQSZACIVSA-N 1 2 337.468 1.072 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337503764 445108876 /nfs/dbraw/zinc/10/88/76/445108876.db2.gz DDZLARLZVXCBPD-IIAWOOMASA-N 1 2 343.493 1.328 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337503764 445108878 /nfs/dbraw/zinc/10/88/78/445108878.db2.gz DDZLARLZVXCBPD-IIAWOOMASA-N 1 2 343.493 1.328 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000339900249 445182088 /nfs/dbraw/zinc/18/20/88/445182088.db2.gz TTZBYAZEHFZZQY-HOTGVXAUSA-N 1 2 339.480 1.320 20 30 EDEDLO CCn1cc[nH+]c1[C@H](NS(=O)(=O)CCCC#N)C1CCOCC1 ZINC000343294363 445186181 /nfs/dbraw/zinc/18/61/81/445186181.db2.gz KSPJXZPNLHYOSL-CQSZACIVSA-N 1 2 340.449 1.594 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000346466456 445215773 /nfs/dbraw/zinc/21/57/73/445215773.db2.gz XULVHEFXDYDVCJ-ZWKOTPCHSA-N 1 2 347.459 1.605 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000351963167 445403587 /nfs/dbraw/zinc/40/35/87/445403587.db2.gz CDRRWASWDCWRJS-SFHVURJKSA-N 1 2 343.431 1.176 20 30 EDEDLO CCOC(=O)[C@@H]([NH2+]CCOc1ccccc1C#N)[C@@H]1CCCOC1 ZINC000359832693 445451443 /nfs/dbraw/zinc/45/14/43/445451443.db2.gz LZGPKPZGGBIRFL-WBVHZDCISA-N 1 2 332.400 1.885 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000362798205 445554930 /nfs/dbraw/zinc/55/49/30/445554930.db2.gz PFPHWITYRPVJQL-HFTRVMKXSA-N 1 2 345.443 1.904 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@@H](CC)C(=O)OC)CC1 ZINC000352703019 445549877 /nfs/dbraw/zinc/54/98/77/445549877.db2.gz YSCDONAGDQJZSW-CVEARBPZSA-N 1 2 339.480 1.369 20 30 EDEDLO C=CCOc1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1OC ZINC000349655423 445635955 /nfs/dbraw/zinc/63/59/55/445635955.db2.gz MSBLPODCCJRMBB-UHFFFAOYSA-N 1 2 329.404 1.946 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000360300612 445685959 /nfs/dbraw/zinc/68/59/59/445685959.db2.gz NRROYJHECLKCQO-OAHLLOKOSA-N 1 2 336.480 1.701 20 30 EDEDLO CO[C@@H]1COC[C@@H]1n1cc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)nn1 ZINC000353640374 445688542 /nfs/dbraw/zinc/68/85/42/445688542.db2.gz GIRDWUVFRARDGE-ZTFRIQLXSA-N 1 2 345.378 1.726 20 30 EDEDLO N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000360450822 445708881 /nfs/dbraw/zinc/70/88/81/445708881.db2.gz XMWGYOMJMLTECA-MRXNPFEDSA-N 1 2 343.818 1.946 20 30 EDEDLO CCCCNC(=O)[C@H](C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349899352 445715920 /nfs/dbraw/zinc/71/59/20/445715920.db2.gz VVVQTKOMYXQIOG-AWEZNQCLSA-N 1 2 332.452 1.027 20 30 EDEDLO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1nc(C#N)cs1 ZINC000356399832 445772751 /nfs/dbraw/zinc/77/27/51/445772751.db2.gz UHFHXNVMHAJTPL-JSGCOSHPSA-N 1 2 348.451 1.793 20 30 EDEDLO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356399832 445772756 /nfs/dbraw/zinc/77/27/56/445772756.db2.gz UHFHXNVMHAJTPL-JSGCOSHPSA-N 1 2 348.451 1.793 20 30 EDEDLO Cc1onc(CC(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1C#N ZINC000353878444 445794562 /nfs/dbraw/zinc/79/45/62/445794562.db2.gz DOUZWNQSGYCNTJ-UHFFFAOYSA-N 1 2 325.372 1.709 20 30 EDEDLO C[N@H+](Cc1ncccn1)[C@H]1CCN(c2nc3ccccn3c2C#N)C1 ZINC000365960338 445927973 /nfs/dbraw/zinc/92/79/73/445927973.db2.gz FTVNCCFIRCSWHB-AWEZNQCLSA-N 1 2 333.399 1.707 20 30 EDEDLO C[N@@H+](Cc1ncccn1)[C@H]1CCN(c2nc3ccccn3c2C#N)C1 ZINC000365960338 445927980 /nfs/dbraw/zinc/92/79/80/445927980.db2.gz FTVNCCFIRCSWHB-AWEZNQCLSA-N 1 2 333.399 1.707 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nc(C3CC3)cs2)nc1 ZINC000582117547 325778303 /nfs/dbraw/zinc/77/83/03/325778303.db2.gz UVOXKPKLTJCLAD-UHFFFAOYSA-N 1 2 348.453 1.851 20 30 EDEDLO C[C@H](C#N)CN(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000364129191 445896959 /nfs/dbraw/zinc/89/69/59/445896959.db2.gz FZOHXJQNJZKESK-AEFFLSMTSA-N 1 2 344.459 1.095 20 30 EDEDLO C[C@H](C#N)CN(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000364129191 445896961 /nfs/dbraw/zinc/89/69/61/445896961.db2.gz FZOHXJQNJZKESK-AEFFLSMTSA-N 1 2 344.459 1.095 20 30 EDEDLO COC(=O)[C@@H](C(OC)OC)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000373072639 446008176 /nfs/dbraw/zinc/00/81/76/446008176.db2.gz YIUGTBQXCMKEBC-INIZCTEOSA-N 1 2 347.415 1.231 20 30 EDEDLO COC(=O)[C@@H](C(OC)OC)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000373072639 446008182 /nfs/dbraw/zinc/00/81/82/446008182.db2.gz YIUGTBQXCMKEBC-INIZCTEOSA-N 1 2 347.415 1.231 20 30 EDEDLO Cn1cc(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1C#N ZINC000583728209 326125948 /nfs/dbraw/zinc/12/59/48/326125948.db2.gz QILINFAUAKHIGT-KRWDZBQOSA-N 1 2 330.432 1.500 20 30 EDEDLO Cn1cc(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1C#N ZINC000583728209 326125951 /nfs/dbraw/zinc/12/59/51/326125951.db2.gz QILINFAUAKHIGT-KRWDZBQOSA-N 1 2 330.432 1.500 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000361961886 446110648 /nfs/dbraw/zinc/11/06/48/446110648.db2.gz AEZNCQOKTKZLAE-UHFFFAOYSA-N 1 2 332.385 1.352 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000354342312 446127080 /nfs/dbraw/zinc/12/70/80/446127080.db2.gz VVMJORUDBCNVSA-UHFFFAOYSA-N 1 2 333.399 1.557 20 30 EDEDLO CN(C(=O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1)C1(C#N)CCCCC1 ZINC000369868966 446162331 /nfs/dbraw/zinc/16/23/31/446162331.db2.gz WIROKVLEXXHNOK-IBGZPJMESA-N 1 2 349.475 1.941 20 30 EDEDLO CN(C(=O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1)C1(C#N)CCCCC1 ZINC000369868966 446162337 /nfs/dbraw/zinc/16/23/37/446162337.db2.gz WIROKVLEXXHNOK-IBGZPJMESA-N 1 2 349.475 1.941 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000370049557 446178771 /nfs/dbraw/zinc/17/87/71/446178771.db2.gz JKFQXPPBIDTULK-NVXWUHKLSA-N 1 2 330.432 1.851 20 30 EDEDLO Cc1cccc(S(=O)(=O)NC[C@@H]2CCCn3cc[nH+]c32)c1C#N ZINC000366717103 446321284 /nfs/dbraw/zinc/32/12/84/446321284.db2.gz GSVWFLOESWCLRZ-ZDUSSCGKSA-N 1 2 330.413 1.919 20 30 EDEDLO C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](C)O2 ZINC000374029021 446348308 /nfs/dbraw/zinc/34/83/08/446348308.db2.gz VGFLSTQPVSDVCP-JTDSTZFVSA-N 1 2 349.475 1.987 20 30 EDEDLO C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](C)O2 ZINC000374029021 446348313 /nfs/dbraw/zinc/34/83/13/446348313.db2.gz VGFLSTQPVSDVCP-JTDSTZFVSA-N 1 2 349.475 1.987 20 30 EDEDLO C=CCNc1ncc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000365793066 446345989 /nfs/dbraw/zinc/34/59/89/446345989.db2.gz DHGPLPHIMIFKLH-LBPRGKRZSA-N 1 2 331.445 2.494 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000370623044 446362504 /nfs/dbraw/zinc/36/25/04/446362504.db2.gz UNLLJHHBURVAMB-LBPRGKRZSA-N 1 2 328.376 1.356 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000370623044 446362507 /nfs/dbraw/zinc/36/25/07/446362507.db2.gz UNLLJHHBURVAMB-LBPRGKRZSA-N 1 2 328.376 1.356 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000374326832 446362873 /nfs/dbraw/zinc/36/28/73/446362873.db2.gz UCFXTGGCTOQNAD-INIZCTEOSA-N 1 2 348.491 1.862 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000374326832 446362876 /nfs/dbraw/zinc/36/28/76/446362876.db2.gz UCFXTGGCTOQNAD-INIZCTEOSA-N 1 2 348.491 1.862 20 30 EDEDLO C[N@@H+]1CCN(C2CCN(c3snc(Cl)c3C#N)CC2)C(=O)C1 ZINC000374802132 446399945 /nfs/dbraw/zinc/39/99/45/446399945.db2.gz PSPBZDKECCSQJJ-UHFFFAOYSA-N 1 2 339.852 1.411 20 30 EDEDLO C[N@H+]1CCN(C2CCN(c3snc(Cl)c3C#N)CC2)C(=O)C1 ZINC000374802132 446399950 /nfs/dbraw/zinc/39/99/50/446399950.db2.gz PSPBZDKECCSQJJ-UHFFFAOYSA-N 1 2 339.852 1.411 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1F)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000411187252 446421039 /nfs/dbraw/zinc/42/10/39/446421039.db2.gz PQUOXVQFWNQGRU-GDBMZVCRSA-N 1 2 347.434 1.926 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000411187252 446421042 /nfs/dbraw/zinc/42/10/42/446421042.db2.gz PQUOXVQFWNQGRU-GDBMZVCRSA-N 1 2 347.434 1.926 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1CCC(C#N)CC1 ZINC000376449385 446503056 /nfs/dbraw/zinc/50/30/56/446503056.db2.gz PHBUKVBRJIZJNL-RDHHWEPZSA-N 1 2 334.464 1.821 20 30 EDEDLO N#CCOc1ccc(CC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1 ZINC000367083229 446504104 /nfs/dbraw/zinc/50/41/04/446504104.db2.gz DRZJPLTXIGLWRS-GOSISDBHSA-N 1 2 336.395 1.700 20 30 EDEDLO C=CCNc1ncc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)s1 ZINC000432934498 446516213 /nfs/dbraw/zinc/51/62/13/446516213.db2.gz UNEOYWCWNNVJQM-UHFFFAOYSA-N 1 2 345.350 2.430 20 30 EDEDLO C#C[C@@H](NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C)C(C)C ZINC000367179076 446519256 /nfs/dbraw/zinc/51/92/56/446519256.db2.gz DIHOCECOSYRJOT-IIDMSEBBSA-N 1 2 344.459 1.884 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000433151159 446538509 /nfs/dbraw/zinc/53/85/09/446538509.db2.gz HXBZCAPPLDEOEP-QDOIMOTRSA-N 1 2 337.485 1.998 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000433151159 446538512 /nfs/dbraw/zinc/53/85/12/446538512.db2.gz HXBZCAPPLDEOEP-QDOIMOTRSA-N 1 2 337.485 1.998 20 30 EDEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)CC(=O)NCc1cccc(C#N)c1 ZINC000434712158 446658514 /nfs/dbraw/zinc/65/85/14/446658514.db2.gz ULHDPZOZGGWYTN-UHFFFAOYSA-N 1 2 344.459 1.217 20 30 EDEDLO CN(CC[N@H+]1CCOC(C)(C)C1)CC(=O)NCc1cccc(C#N)c1 ZINC000434712158 446658517 /nfs/dbraw/zinc/65/85/17/446658517.db2.gz ULHDPZOZGGWYTN-UHFFFAOYSA-N 1 2 344.459 1.217 20 30 EDEDLO C[N@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2ccc(C#N)s2)C1 ZINC000434922640 446667975 /nfs/dbraw/zinc/66/79/75/446667975.db2.gz AXDAIUHWQMMKTD-NSHDSACASA-N 1 2 342.428 1.338 20 30 EDEDLO C[N@@H+](Cc1nccc(N)n1)[C@H]1CCN(C(=O)c2ccc(C#N)s2)C1 ZINC000434922640 446667984 /nfs/dbraw/zinc/66/79/84/446667984.db2.gz AXDAIUHWQMMKTD-NSHDSACASA-N 1 2 342.428 1.338 20 30 EDEDLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000435021301 446674166 /nfs/dbraw/zinc/67/41/66/446674166.db2.gz PKVRTYGTYHICPX-LBPRGKRZSA-N 1 2 331.420 1.216 20 30 EDEDLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000435021301 446674176 /nfs/dbraw/zinc/67/41/76/446674176.db2.gz PKVRTYGTYHICPX-LBPRGKRZSA-N 1 2 331.420 1.216 20 30 EDEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+](CCO)CCO ZINC000436199971 446726435 /nfs/dbraw/zinc/72/64/35/446726435.db2.gz DHYFDPHBWKDIGZ-ZDUSSCGKSA-N 1 2 337.445 1.306 20 30 EDEDLO C#Cc1cccc(NC(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1 ZINC000376729297 446682273 /nfs/dbraw/zinc/68/22/73/446682273.db2.gz PEUKJFUGSKHTLT-UHFFFAOYSA-N 1 2 340.427 1.616 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000368334979 446794047 /nfs/dbraw/zinc/79/40/47/446794047.db2.gz XPEJEGVJNVQNKK-KRWDZBQOSA-N 1 2 332.448 1.923 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000368334979 446794054 /nfs/dbraw/zinc/79/40/54/446794054.db2.gz XPEJEGVJNVQNKK-KRWDZBQOSA-N 1 2 332.448 1.923 20 30 EDEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439442950 446816371 /nfs/dbraw/zinc/81/63/71/446816371.db2.gz SNSWDICUEUYBIZ-ZDUSSCGKSA-N 1 2 327.837 1.725 20 30 EDEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439442950 446816381 /nfs/dbraw/zinc/81/63/81/446816381.db2.gz SNSWDICUEUYBIZ-ZDUSSCGKSA-N 1 2 327.837 1.725 20 30 EDEDLO C=CCCn1cc(C(=O)NCC[N@@H+]2CCc3sccc3C2)nn1 ZINC000424614729 446908917 /nfs/dbraw/zinc/90/89/17/446908917.db2.gz WTWNBGNAUQEUFB-UHFFFAOYSA-N 1 2 331.445 1.704 20 30 EDEDLO C=CCCn1cc(C(=O)NCC[N@H+]2CCc3sccc3C2)nn1 ZINC000424614729 446908924 /nfs/dbraw/zinc/90/89/24/446908924.db2.gz WTWNBGNAUQEUFB-UHFFFAOYSA-N 1 2 331.445 1.704 20 30 EDEDLO CCOC(=O)c1ccc(N2CC(Nc3cc(C)[nH+]cc3C#N)C2)nc1 ZINC000425248754 447079316 /nfs/dbraw/zinc/07/93/16/447079316.db2.gz SDGRLUSDAQELNQ-UHFFFAOYSA-N 1 2 337.383 1.556 20 30 EDEDLO CCc1nc([C@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)no1 ZINC000377491561 447161278 /nfs/dbraw/zinc/16/12/78/447161278.db2.gz FANMRDIGKFYDNN-YVEFUNNKSA-N 1 2 331.420 1.620 20 30 EDEDLO CCc1nc([C@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)no1 ZINC000377491561 447161282 /nfs/dbraw/zinc/16/12/82/447161282.db2.gz FANMRDIGKFYDNN-YVEFUNNKSA-N 1 2 331.420 1.620 20 30 EDEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000377536047 447188529 /nfs/dbraw/zinc/18/85/29/447188529.db2.gz PLXKUFOFEZCZPP-UHFFFAOYSA-N 1 2 326.360 1.200 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnnn1Cc1cccs1 ZINC000414111141 447274273 /nfs/dbraw/zinc/27/42/73/447274273.db2.gz PFUMIOTXPKNYAQ-LLVKDONJSA-N 1 2 338.462 1.081 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnnn1Cc1cccs1 ZINC000414111141 447274277 /nfs/dbraw/zinc/27/42/77/447274277.db2.gz PFUMIOTXPKNYAQ-LLVKDONJSA-N 1 2 338.462 1.081 20 30 EDEDLO CCNc1nc(SC[C@H](O)C[N@H+](C)CCC#N)nc2ccccc21 ZINC000414114848 447276239 /nfs/dbraw/zinc/27/62/39/447276239.db2.gz UGXNQBKZBJTBHY-CYBMUJFWSA-N 1 2 345.472 2.360 20 30 EDEDLO CCNc1nc(SC[C@H](O)C[N@@H+](C)CCC#N)nc2ccccc21 ZINC000414114848 447276243 /nfs/dbraw/zinc/27/62/43/447276243.db2.gz UGXNQBKZBJTBHY-CYBMUJFWSA-N 1 2 345.472 2.360 20 30 EDEDLO Cc1cc(Cl)ccc1-n1cnc(=O)n1C[C@H](O)C[N@H+](C)CCC#N ZINC000414158274 447278572 /nfs/dbraw/zinc/27/85/72/447278572.db2.gz UHTBXBZVJJQXDO-CQSZACIVSA-N 1 2 349.822 1.202 20 30 EDEDLO Cc1cc(Cl)ccc1-n1cnc(=O)n1C[C@H](O)C[N@@H+](C)CCC#N ZINC000414158274 447278579 /nfs/dbraw/zinc/27/85/79/447278579.db2.gz UHTBXBZVJJQXDO-CQSZACIVSA-N 1 2 349.822 1.202 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429267172 447737800 /nfs/dbraw/zinc/73/78/00/447737800.db2.gz ZZCDFGSWYUXTQF-ZIAGYGMSSA-N 1 2 348.422 1.737 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429267172 447737802 /nfs/dbraw/zinc/73/78/02/447737802.db2.gz ZZCDFGSWYUXTQF-ZIAGYGMSSA-N 1 2 348.422 1.737 20 30 EDEDLO N#CCc1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)c(Cl)c1 ZINC000451561072 447738198 /nfs/dbraw/zinc/73/81/98/447738198.db2.gz BJVWAPGIFHXHER-UHFFFAOYSA-N 1 2 336.804 1.807 20 30 EDEDLO Cn1cc(C[N@H+](CC(=O)NCC#N)Cc2ccc(Cl)cc2)cn1 ZINC000430259670 447767345 /nfs/dbraw/zinc/76/73/45/447767345.db2.gz QQMVBHPYZURIGS-UHFFFAOYSA-N 1 2 331.807 1.715 20 30 EDEDLO Cn1cc(C[N@@H+](CC(=O)NCC#N)Cc2ccc(Cl)cc2)cn1 ZINC000430259670 447767349 /nfs/dbraw/zinc/76/73/49/447767349.db2.gz QQMVBHPYZURIGS-UHFFFAOYSA-N 1 2 331.807 1.715 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000459986364 447780775 /nfs/dbraw/zinc/78/07/75/447780775.db2.gz XIKXEQIKRZFOPK-AWEZNQCLSA-N 1 2 348.472 1.053 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC2(CC#N)CC2)cn1 ZINC000431197526 447793085 /nfs/dbraw/zinc/79/30/85/447793085.db2.gz KSUYCAOZJCTSQY-GJZGRUSLSA-N 1 2 348.426 1.326 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)NCC2(CC#N)CC2)cn1 ZINC000431197526 447793088 /nfs/dbraw/zinc/79/30/88/447793088.db2.gz KSUYCAOZJCTSQY-GJZGRUSLSA-N 1 2 348.426 1.326 20 30 EDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497103428 447856194 /nfs/dbraw/zinc/85/61/94/447856194.db2.gz VOEKAVKAUMPPJU-XNJGSVPQSA-N 1 2 336.436 1.203 20 30 EDEDLO C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497103428 447856199 /nfs/dbraw/zinc/85/61/99/447856199.db2.gz VOEKAVKAUMPPJU-XNJGSVPQSA-N 1 2 336.436 1.203 20 30 EDEDLO CN1C[C@@H](C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)OC1=O ZINC000497123980 447873205 /nfs/dbraw/zinc/87/32/05/447873205.db2.gz CKLVGQAEFMRXCT-JKSUJKDBSA-N 1 2 348.834 1.973 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1C ZINC000489720031 447870022 /nfs/dbraw/zinc/87/00/22/447870022.db2.gz KVWQLSDSQODINK-NEPJUHHUSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(F)c2)C[C@H]1C ZINC000489720031 447870028 /nfs/dbraw/zinc/87/00/28/447870028.db2.gz KVWQLSDSQODINK-NEPJUHHUSA-N 1 2 325.409 1.801 20 30 EDEDLO C#CC[NH+]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000490915075 447908652 /nfs/dbraw/zinc/90/86/52/447908652.db2.gz LPHLQTUGNNAMCK-UHFFFAOYSA-N 1 2 333.779 1.806 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC(F)(F)F)CC1 ZINC000490914140 447908824 /nfs/dbraw/zinc/90/88/24/447908824.db2.gz GDULMSOAAVAFEM-UHFFFAOYSA-N 1 2 333.354 1.003 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC(F)(F)F)CC1 ZINC000490914140 447908825 /nfs/dbraw/zinc/90/88/25/447908825.db2.gz GDULMSOAAVAFEM-UHFFFAOYSA-N 1 2 333.354 1.003 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](Cn2sc3ccccc3c2=O)CC1 ZINC000491200927 447952111 /nfs/dbraw/zinc/95/21/11/447952111.db2.gz DBVKAXLALDPDAF-UHFFFAOYSA-N 1 2 329.425 1.482 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C)CC1 ZINC000491099678 447922617 /nfs/dbraw/zinc/92/26/17/447922617.db2.gz CLZZSIHDRHYXNV-UHFFFAOYSA-N 1 2 347.369 1.839 20 30 EDEDLO C#CCNC(=O)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000491101667 447923521 /nfs/dbraw/zinc/92/35/21/447923521.db2.gz KDJZLEQELNSKPI-UHFFFAOYSA-N 1 2 336.395 1.474 20 30 EDEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(C(C)C)nc2C)CC1 ZINC000491122603 447932022 /nfs/dbraw/zinc/93/20/22/447932022.db2.gz WXSULEDJEUHTEE-UHFFFAOYSA-N 1 2 328.460 1.380 20 30 EDEDLO N#Cc1cccc(CC(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000531148137 448029861 /nfs/dbraw/zinc/02/98/61/448029861.db2.gz OSVQTSFHPBUBQN-UHFFFAOYSA-N 1 2 336.395 1.649 20 30 EDEDLO Cn1ccnc1[C@@H](NC[C@@H](O)C[N@H+](C)CCC#N)c1ccccc1F ZINC000570837367 448072809 /nfs/dbraw/zinc/07/28/09/448072809.db2.gz RMMPBWMRUBDDHV-PBHICJAKSA-N 1 2 345.422 1.445 20 30 EDEDLO Cn1ccnc1[C@@H](NC[C@@H](O)C[N@@H+](C)CCC#N)c1ccccc1F ZINC000570837367 448072814 /nfs/dbraw/zinc/07/28/14/448072814.db2.gz RMMPBWMRUBDDHV-PBHICJAKSA-N 1 2 345.422 1.445 20 30 EDEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2c(F)cccc2F)CC1 ZINC000491661252 448077005 /nfs/dbraw/zinc/07/70/05/448077005.db2.gz NEDIZZXXBNBJJE-UHFFFAOYSA-N 1 2 335.354 1.365 20 30 EDEDLO C#CC[N@@H+](CC/C=C\c1cncc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000491739034 448095580 /nfs/dbraw/zinc/09/55/80/448095580.db2.gz TUMFRLSZSODZMM-DQOPKJQZSA-N 1 2 334.441 1.616 20 30 EDEDLO C#CC[N@H+](CC/C=C\c1cncc(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000491739034 448095583 /nfs/dbraw/zinc/09/55/83/448095583.db2.gz TUMFRLSZSODZMM-DQOPKJQZSA-N 1 2 334.441 1.616 20 30 EDEDLO C#C[C@@H]1COCCN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000491751586 448105136 /nfs/dbraw/zinc/10/51/36/448105136.db2.gz YEJFTBAYSJNWLS-CQSZACIVSA-N 1 2 334.445 1.011 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000491787923 448123337 /nfs/dbraw/zinc/12/33/37/448123337.db2.gz YGXMQBAAKJPIHV-DYVFJYSZSA-N 1 2 341.411 1.811 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000491787923 448123346 /nfs/dbraw/zinc/12/33/46/448123346.db2.gz YGXMQBAAKJPIHV-DYVFJYSZSA-N 1 2 341.411 1.811 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000491787923 448123351 /nfs/dbraw/zinc/12/33/51/448123351.db2.gz YGXMQBAAKJPIHV-DYVFJYSZSA-N 1 2 341.411 1.811 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000491787923 448123357 /nfs/dbraw/zinc/12/33/57/448123357.db2.gz YGXMQBAAKJPIHV-DYVFJYSZSA-N 1 2 341.411 1.811 20 30 EDEDLO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)C(=O)NC1(C#N)CCC1 ZINC000527049455 448147264 /nfs/dbraw/zinc/14/72/64/448147264.db2.gz KHLJUUNPFKEGDX-QWHCGFSZSA-N 1 2 339.403 1.264 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000527163610 448174223 /nfs/dbraw/zinc/17/42/23/448174223.db2.gz UEIWFGMTPBPOCP-PBHICJAKSA-N 1 2 326.400 1.077 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000527163610 448174227 /nfs/dbraw/zinc/17/42/27/448174227.db2.gz UEIWFGMTPBPOCP-PBHICJAKSA-N 1 2 326.400 1.077 20 30 EDEDLO C=CCCS(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000531938837 448174357 /nfs/dbraw/zinc/17/43/57/448174357.db2.gz HJEONINTMDXQJM-DOTOQJQBSA-N 1 2 338.473 1.771 20 30 EDEDLO C=CCCS(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000531938837 448174363 /nfs/dbraw/zinc/17/43/63/448174363.db2.gz HJEONINTMDXQJM-DOTOQJQBSA-N 1 2 338.473 1.771 20 30 EDEDLO COc1cc([C@H](C#N)NC(=O)Cn2cc[nH+]c2)cc(OC)c1OC ZINC000558686985 448201854 /nfs/dbraw/zinc/20/18/54/448201854.db2.gz IJJDXURYNNXCMJ-LBPRGKRZSA-N 1 2 330.344 1.290 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(NCCO)c2ccccc2[nH+]1 ZINC000559592050 448210306 /nfs/dbraw/zinc/21/03/06/448210306.db2.gz NKMFCDAJFFFNPJ-CJNGLKHVSA-N 1 2 328.416 1.271 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1c[nH+]c(C)nc1N ZINC000556842044 448164283 /nfs/dbraw/zinc/16/42/83/448164283.db2.gz YZQHAWFWUFOMMN-UHFFFAOYSA-N 1 2 328.372 1.871 20 30 EDEDLO CCN1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000571851451 448215025 /nfs/dbraw/zinc/21/50/25/448215025.db2.gz AYNDAKOIEKPPIZ-KBPBESRZSA-N 1 2 330.436 1.039 20 30 EDEDLO CCCN(C(=O)[C@H](C)[NH2+][C@H](CC)CC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000565175426 448357082 /nfs/dbraw/zinc/35/70/82/448357082.db2.gz UZGBPVJQIQOUQB-BFHYXJOUSA-N 1 2 329.466 1.082 20 30 EDEDLO COc1ccc(C[C@H](C)C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000566308583 448441778 /nfs/dbraw/zinc/44/17/78/448441778.db2.gz IZACYRIKGKQRQR-UGSOOPFHSA-N 1 2 333.432 1.842 20 30 EDEDLO C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c2nccn21 ZINC000591769821 448487396 /nfs/dbraw/zinc/48/73/96/448487396.db2.gz KIYNIKFGEFRVDK-AAEUAGOBSA-N 1 2 331.401 1.219 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000566660060 448530818 /nfs/dbraw/zinc/53/08/18/448530818.db2.gz DLXWVPLSBDTBTQ-ALKREAHSSA-N 1 2 345.418 1.737 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000566660060 448530821 /nfs/dbraw/zinc/53/08/21/448530821.db2.gz DLXWVPLSBDTBTQ-ALKREAHSSA-N 1 2 345.418 1.737 20 30 EDEDLO C[C@]1(CO)C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@]1(C)CO ZINC000528749382 448658663 /nfs/dbraw/zinc/65/86/63/448658663.db2.gz CLGNKYDLDWNVCY-RRQGHBQHSA-N 1 2 349.456 1.038 20 30 EDEDLO C[C@]1(CO)C[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@]1(C)CO ZINC000528749382 448658669 /nfs/dbraw/zinc/65/86/69/448658669.db2.gz CLGNKYDLDWNVCY-RRQGHBQHSA-N 1 2 349.456 1.038 20 30 EDEDLO C=C[C@@H]1CCCCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000518282206 448660885 /nfs/dbraw/zinc/66/08/85/448660885.db2.gz XRPWMVQRGKABCC-OAHLLOKOSA-N 1 2 333.436 1.788 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000573729376 448698713 /nfs/dbraw/zinc/69/87/13/448698713.db2.gz FWPVGNVHVNPMFB-YJBOKZPZSA-N 1 2 344.415 1.378 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c([N+](=O)[O-])c1 ZINC000592149015 448708874 /nfs/dbraw/zinc/70/88/74/448708874.db2.gz GWILDMRDDYQBRI-ZBEGNZNMSA-N 1 2 348.359 1.281 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c([N+](=O)[O-])c1 ZINC000592149015 448708881 /nfs/dbraw/zinc/70/88/81/448708881.db2.gz GWILDMRDDYQBRI-ZBEGNZNMSA-N 1 2 348.359 1.281 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000592148751 448709253 /nfs/dbraw/zinc/70/92/53/448709253.db2.gz AXOBTIGDDPHGRG-SFHVURJKSA-N 1 2 343.431 1.361 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000592148751 448709258 /nfs/dbraw/zinc/70/92/58/448709258.db2.gz AXOBTIGDDPHGRG-SFHVURJKSA-N 1 2 343.431 1.361 20 30 EDEDLO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccncc2C#N)c1 ZINC000592095708 448679547 /nfs/dbraw/zinc/67/95/47/448679547.db2.gz YGSAZCMAAMTWTM-GFCCVEGCSA-N 1 2 330.413 1.712 20 30 EDEDLO COCC[N@H+](Cc1cncs1)Cc1cnc2c(C#N)cnn2c1 ZINC000519156770 448747711 /nfs/dbraw/zinc/74/77/11/448747711.db2.gz MCTZTCUJTHSEEW-UHFFFAOYSA-N 1 2 328.401 1.706 20 30 EDEDLO COCC[N@@H+](Cc1cncs1)Cc1cnc2c(C#N)cnn2c1 ZINC000519156770 448747716 /nfs/dbraw/zinc/74/77/16/448747716.db2.gz MCTZTCUJTHSEEW-UHFFFAOYSA-N 1 2 328.401 1.706 20 30 EDEDLO CN(CC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(C#N)nn1 ZINC000588068236 448865758 /nfs/dbraw/zinc/86/57/58/448865758.db2.gz XQYJAQYVJUQXCK-UHFFFAOYSA-N 1 2 336.443 1.602 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000519863370 448861475 /nfs/dbraw/zinc/86/14/75/448861475.db2.gz ICLZGMMDCVVPCE-SQNIBIBYSA-N 1 2 330.428 1.767 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000580037681 448935692 /nfs/dbraw/zinc/93/56/92/448935692.db2.gz QPISQUPKMALLTQ-CVEARBPZSA-N 1 2 329.400 1.060 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000580037681 448935697 /nfs/dbraw/zinc/93/56/97/448935697.db2.gz QPISQUPKMALLTQ-CVEARBPZSA-N 1 2 329.400 1.060 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@]2(CCCOC2)O1 ZINC000574519036 448892942 /nfs/dbraw/zinc/89/29/42/448892942.db2.gz AZNWIWLOUBUSMF-CXAGYDPISA-N 1 2 327.388 1.371 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)C[C@@]2(CCCOC2)O1 ZINC000574519036 448892945 /nfs/dbraw/zinc/89/29/45/448892945.db2.gz AZNWIWLOUBUSMF-CXAGYDPISA-N 1 2 327.388 1.371 20 30 EDEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)NCc3ccccc3)CC2)C1 ZINC000568988192 448949570 /nfs/dbraw/zinc/94/95/70/448949570.db2.gz YHDNJMSNVITURJ-IRXDYDNUSA-N 1 2 348.472 1.331 20 30 EDEDLO C=CCc1ccc(OCC(=O)NCC[N@@H+]2CCO[C@H](C)C2)c(OC)c1 ZINC000522268687 449072131 /nfs/dbraw/zinc/07/21/31/449072131.db2.gz QHSNHRFLUUOZIU-OAHLLOKOSA-N 1 2 348.443 1.639 20 30 EDEDLO C=CCc1ccc(OCC(=O)NCC[N@H+]2CCO[C@H](C)C2)c(OC)c1 ZINC000522268687 449072137 /nfs/dbraw/zinc/07/21/37/449072137.db2.gz QHSNHRFLUUOZIU-OAHLLOKOSA-N 1 2 348.443 1.639 20 30 EDEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(C#N)c1C ZINC000595728186 449134585 /nfs/dbraw/zinc/13/45/85/449134585.db2.gz LDNWUCWVTCHZKS-JSGCOSHPSA-N 1 2 346.456 1.776 20 30 EDEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c(C#N)c1C ZINC000595728186 449134586 /nfs/dbraw/zinc/13/45/86/449134586.db2.gz LDNWUCWVTCHZKS-JSGCOSHPSA-N 1 2 346.456 1.776 20 30 EDEDLO CO[C@]1(CO)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595662170 449104347 /nfs/dbraw/zinc/10/43/47/449104347.db2.gz NKCJENMMGRRGKF-MRXNPFEDSA-N 1 2 337.807 1.623 20 30 EDEDLO CO[C@]1(CO)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595662170 449104352 /nfs/dbraw/zinc/10/43/52/449104352.db2.gz NKCJENMMGRRGKF-MRXNPFEDSA-N 1 2 337.807 1.623 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CCOCCC#N ZINC000590159637 449113036 /nfs/dbraw/zinc/11/30/36/449113036.db2.gz IHVQUBPRMORITD-MRXNPFEDSA-N 1 2 327.388 1.046 20 30 EDEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCc1ccc(C#N)cc1 ZINC000595687819 449119936 /nfs/dbraw/zinc/11/99/36/449119936.db2.gz MFVFKEPLFOBNQO-MAUKXSAKSA-N 1 2 342.443 1.605 20 30 EDEDLO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000593065770 449120483 /nfs/dbraw/zinc/12/04/83/449120483.db2.gz BUUZTRCYBSIROV-ZIAGYGMSSA-N 1 2 325.206 1.902 20 30 EDEDLO COC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000593065770 449120487 /nfs/dbraw/zinc/12/04/87/449120487.db2.gz BUUZTRCYBSIROV-ZIAGYGMSSA-N 1 2 325.206 1.902 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593076741 449125007 /nfs/dbraw/zinc/12/50/07/449125007.db2.gz FQVDHHADSRBIJA-KRWDZBQOSA-N 1 2 339.399 1.776 20 30 EDEDLO N#Cc1cccc(C(=O)N(CC[NH+]2CCOCC2)[C@H]2CCSC2)c1 ZINC000590388353 449143765 /nfs/dbraw/zinc/14/37/65/449143765.db2.gz MBLCWTOJWXVCMF-KRWDZBQOSA-N 1 2 345.468 1.838 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC(CO)(CO)C1 ZINC000595799644 449172468 /nfs/dbraw/zinc/17/24/68/449172468.db2.gz NTQBOEMKRIRBRB-NSHDSACASA-N 1 2 349.456 1.112 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC(CO)(CO)C1 ZINC000595799644 449172477 /nfs/dbraw/zinc/17/24/77/449172477.db2.gz NTQBOEMKRIRBRB-NSHDSACASA-N 1 2 349.456 1.112 20 30 EDEDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(CCC#N)CC2)cc1OC ZINC000611174446 449200657 /nfs/dbraw/zinc/20/06/57/449200657.db2.gz FKQOKXPUICMUQA-CQSZACIVSA-N 1 2 346.431 1.562 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839670 449201162 /nfs/dbraw/zinc/20/11/62/449201162.db2.gz HOWIDIULRDKFBZ-BEFAXECRSA-N 1 2 342.443 1.665 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595839670 449201176 /nfs/dbraw/zinc/20/11/76/449201176.db2.gz HOWIDIULRDKFBZ-BEFAXECRSA-N 1 2 342.443 1.665 20 30 EDEDLO CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601863854 449193155 /nfs/dbraw/zinc/19/31/55/449193155.db2.gz CYAHMKSFQGDLQJ-AJNGGQMLSA-N 1 2 332.452 1.818 20 30 EDEDLO CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC000601863854 449193163 /nfs/dbraw/zinc/19/31/63/449193163.db2.gz CYAHMKSFQGDLQJ-AJNGGQMLSA-N 1 2 332.452 1.818 20 30 EDEDLO N#Cc1cc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)ccc1Cl ZINC000601967990 449250156 /nfs/dbraw/zinc/25/01/56/449250156.db2.gz KMMSRSNSISZGJP-LLVKDONJSA-N 1 2 336.804 1.701 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N([C@H](C)C#N)C1CC1 ZINC000598135323 449252655 /nfs/dbraw/zinc/25/26/55/449252655.db2.gz SKZWNPGJXVPFCZ-IUODEOHRSA-N 1 2 331.420 1.386 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N([C@H](C)C#N)C1CC1 ZINC000598135323 449252658 /nfs/dbraw/zinc/25/26/58/449252658.db2.gz SKZWNPGJXVPFCZ-IUODEOHRSA-N 1 2 331.420 1.386 20 30 EDEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000593383414 449255108 /nfs/dbraw/zinc/25/51/08/449255108.db2.gz GLFROEZMKNLINI-AWEZNQCLSA-N 1 2 331.416 1.898 20 30 EDEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000594009030 449321320 /nfs/dbraw/zinc/32/13/20/449321320.db2.gz ZDULBTUOWPHWKP-LBPRGKRZSA-N 1 2 338.433 1.157 20 30 EDEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000600420084 449365949 /nfs/dbraw/zinc/36/59/49/449365949.db2.gz ILWOEFWHQBUHHX-SNVBAGLBSA-N 1 2 328.199 1.925 20 30 EDEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000600420084 449365952 /nfs/dbraw/zinc/36/59/52/449365952.db2.gz ILWOEFWHQBUHHX-SNVBAGLBSA-N 1 2 328.199 1.925 20 30 EDEDLO C[N@@H+]1CCOC[C@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000600421825 449367369 /nfs/dbraw/zinc/36/73/69/449367369.db2.gz OVMUXAUDJGMJKC-LLVKDONJSA-N 1 2 328.294 1.032 20 30 EDEDLO C[N@H+]1CCOC[C@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000600421825 449367372 /nfs/dbraw/zinc/36/73/72/449367372.db2.gz OVMUXAUDJGMJKC-LLVKDONJSA-N 1 2 328.294 1.032 20 30 EDEDLO Cc1cc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)nn1CCC#N ZINC000602134833 449372867 /nfs/dbraw/zinc/37/28/67/449372867.db2.gz YBGOXOGJUDXTJC-LLVKDONJSA-N 1 2 340.309 2.434 20 30 EDEDLO COCCN(CCC#N)C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000594273471 449424600 /nfs/dbraw/zinc/42/46/00/449424600.db2.gz OZOLGFGBLQJUEG-LLVKDONJSA-N 1 2 332.326 1.845 20 30 EDEDLO N#CCCN1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000602208858 449435130 /nfs/dbraw/zinc/43/51/30/449435130.db2.gz QZWDRGFXFJDBQX-UHFFFAOYSA-N 1 2 342.443 1.190 20 30 EDEDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)CC2 ZINC000611901924 449465019 /nfs/dbraw/zinc/46/50/19/449465019.db2.gz LUBMTQHTLZZFHO-UHFFFAOYSA-N 1 2 343.774 1.698 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)o1 ZINC000598678581 449538589 /nfs/dbraw/zinc/53/85/89/449538589.db2.gz ZGFOYWLNFKQXQX-UHFFFAOYSA-N 1 2 328.347 1.711 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000602379621 449552809 /nfs/dbraw/zinc/55/28/09/449552809.db2.gz SNQDDQCXWXSTPZ-HOCLYGCPSA-N 1 2 331.420 1.083 20 30 EDEDLO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000602379621 449552812 /nfs/dbraw/zinc/55/28/12/449552812.db2.gz SNQDDQCXWXSTPZ-HOCLYGCPSA-N 1 2 331.420 1.083 20 30 EDEDLO COCCc1ncc(CN(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000602424358 449576414 /nfs/dbraw/zinc/57/64/14/449576414.db2.gz KJZNMFLKQRQWFK-UHFFFAOYSA-N 1 2 338.477 1.380 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000612167744 449595393 /nfs/dbraw/zinc/59/53/93/449595393.db2.gz WGHSEBBRSFHNPM-RDTXWAMCSA-N 1 2 335.448 1.802 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000612167744 449595398 /nfs/dbraw/zinc/59/53/98/449595398.db2.gz WGHSEBBRSFHNPM-RDTXWAMCSA-N 1 2 335.448 1.802 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000614403315 449596842 /nfs/dbraw/zinc/59/68/42/449596842.db2.gz OXRUSMSVYKOLQD-MRXNPFEDSA-N 1 2 330.432 1.510 20 30 EDEDLO Cc1oc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1CO ZINC000600944422 449607325 /nfs/dbraw/zinc/60/73/25/449607325.db2.gz ALAMFRAVJLQURJ-UHFFFAOYSA-N 1 2 339.395 1.910 20 30 EDEDLO N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000597053184 449787170 /nfs/dbraw/zinc/78/71/70/449787170.db2.gz XWYQDIBMWLYQAI-CQSZACIVSA-N 1 2 335.411 1.735 20 30 EDEDLO N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000597053184 449787174 /nfs/dbraw/zinc/78/71/74/449787174.db2.gz XWYQDIBMWLYQAI-CQSZACIVSA-N 1 2 335.411 1.735 20 30 EDEDLO CCN(CC)C(=O)CN1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599257048 449836281 /nfs/dbraw/zinc/83/62/81/449836281.db2.gz DSSYALKCUSMDLP-UHFFFAOYSA-N 1 2 328.460 1.853 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599257048 449836283 /nfs/dbraw/zinc/83/62/83/449836283.db2.gz DSSYALKCUSMDLP-UHFFFAOYSA-N 1 2 328.460 1.853 20 30 EDEDLO CCCN(CC(F)(F)F)C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847818 449854298 /nfs/dbraw/zinc/85/42/98/449854298.db2.gz DLIVDZMHEFUOJC-STQMWFEESA-N 1 2 334.386 1.705 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854277 449860810 /nfs/dbraw/zinc/86/08/10/449860810.db2.gz BABWKBVLOLCJFZ-ZNMIVQPWSA-N 1 2 325.416 1.803 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854277 449860814 /nfs/dbraw/zinc/86/08/14/449860814.db2.gz BABWKBVLOLCJFZ-ZNMIVQPWSA-N 1 2 325.416 1.803 20 30 EDEDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856591 449863683 /nfs/dbraw/zinc/86/36/83/449863683.db2.gz LGHNGYLWVOMHRT-HRCADAONSA-N 1 2 326.444 1.882 20 30 EDEDLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856591 449863684 /nfs/dbraw/zinc/86/36/84/449863684.db2.gz LGHNGYLWVOMHRT-HRCADAONSA-N 1 2 326.444 1.882 20 30 EDEDLO CCN(Cc1ccccc1)C(=O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856109 449863925 /nfs/dbraw/zinc/86/39/25/449863925.db2.gz IKDCKPGIOLFANH-IRXDYDNUSA-N 1 2 328.460 1.953 20 30 EDEDLO Cn1cc(C[NH+]2CC(CC#N)C2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC000597203530 449868793 /nfs/dbraw/zinc/86/87/93/449868793.db2.gz JSMURFKSGFXMGM-UHFFFAOYSA-N 1 2 349.394 1.562 20 30 EDEDLO C=CCCSCCNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000597217638 449878009 /nfs/dbraw/zinc/87/80/09/449878009.db2.gz RAJCFLUVTJMGBN-UHFFFAOYSA-N 1 2 347.484 1.544 20 30 EDEDLO C=C[C@H](O)C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000612788278 449878997 /nfs/dbraw/zinc/87/89/97/449878997.db2.gz VVWAVELJFHRRSX-WBAXXEDZSA-N 1 2 331.460 1.996 20 30 EDEDLO C=C[C@H](O)C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000612788278 449879003 /nfs/dbraw/zinc/87/90/03/449879003.db2.gz VVWAVELJFHRRSX-WBAXXEDZSA-N 1 2 331.460 1.996 20 30 EDEDLO C[N@@H+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C(C)(C)C ZINC000602872955 449880310 /nfs/dbraw/zinc/88/03/10/449880310.db2.gz FCUZVCADVJFZGZ-QGZVFWFLSA-N 1 2 349.500 1.994 20 30 EDEDLO C[N@H+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C(C)(C)C ZINC000602872955 449880315 /nfs/dbraw/zinc/88/03/15/449880315.db2.gz FCUZVCADVJFZGZ-QGZVFWFLSA-N 1 2 349.500 1.994 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)c2ccccc2CC#N)C[C@@H]1[NH+]1CCOCC1 ZINC000601367046 449880676 /nfs/dbraw/zinc/88/06/76/449880676.db2.gz KSMYYCLAYCPKST-HOCLYGCPSA-N 1 2 349.456 1.094 20 30 EDEDLO COC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000602878199 449886747 /nfs/dbraw/zinc/88/67/47/449886747.db2.gz RYFYAGRBDVXVAW-SJORKVTESA-N 1 2 346.427 1.432 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602884132 449891523 /nfs/dbraw/zinc/89/15/23/449891523.db2.gz BTMWRKAPWMPLMG-RDTXWAMCSA-N 1 2 329.448 1.952 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602884132 449891528 /nfs/dbraw/zinc/89/15/28/449891528.db2.gz BTMWRKAPWMPLMG-RDTXWAMCSA-N 1 2 329.448 1.952 20 30 EDEDLO CCOC(=O)C[C@@H](O)C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000599329111 449896356 /nfs/dbraw/zinc/89/63/56/449896356.db2.gz DVLUYJXHIBQXIH-SJORKVTESA-N 1 2 331.416 1.183 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000614966858 449897249 /nfs/dbraw/zinc/89/72/49/449897249.db2.gz BTJDTDRVGDTNAQ-AWEZNQCLSA-N 1 2 331.407 1.551 20 30 EDEDLO Cn1cc(C2=CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)cn1 ZINC000602890006 449897555 /nfs/dbraw/zinc/89/75/55/449897555.db2.gz YEDAPDOPGBLNKF-UHFFFAOYSA-N 1 2 335.411 1.697 20 30 EDEDLO Cn1cc(C2=CCC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)cn1 ZINC000602890006 449897561 /nfs/dbraw/zinc/89/75/61/449897561.db2.gz YEDAPDOPGBLNKF-UHFFFAOYSA-N 1 2 335.411 1.697 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C(=O)N1C ZINC000602846238 449853478 /nfs/dbraw/zinc/85/34/78/449853478.db2.gz DPBSBJWLGVIKCD-MCIONIFRSA-N 1 2 328.416 1.114 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C(=O)N1C ZINC000602846238 449853481 /nfs/dbraw/zinc/85/34/81/449853481.db2.gz DPBSBJWLGVIKCD-MCIONIFRSA-N 1 2 328.416 1.114 20 30 EDEDLO C=CCCSCCNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000597282007 449916202 /nfs/dbraw/zinc/91/62/02/449916202.db2.gz MANOXFJOBYZKKL-UHFFFAOYSA-N 1 2 332.429 1.376 20 30 EDEDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595170061 449920037 /nfs/dbraw/zinc/92/00/37/449920037.db2.gz QPLXAJABJFRTLR-RDTXWAMCSA-N 1 2 343.431 1.719 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000609152767 449969244 /nfs/dbraw/zinc/96/92/44/449969244.db2.gz UQUNMUDHFBEAPQ-INIZCTEOSA-N 1 2 325.416 1.569 20 30 EDEDLO Cc1nsc(N2CC[NH+](CCOC3CCOCC3)CC2)c1C#N ZINC000599428524 449969408 /nfs/dbraw/zinc/96/94/08/449969408.db2.gz BZLIZVQPOGQVNK-UHFFFAOYSA-N 1 2 336.461 1.641 20 30 EDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609178161 449974106 /nfs/dbraw/zinc/97/41/06/449974106.db2.gz KAJISMITRQZJMH-MAUKXSAKSA-N 1 2 342.443 1.364 20 30 EDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609178161 449974110 /nfs/dbraw/zinc/97/41/10/449974110.db2.gz KAJISMITRQZJMH-MAUKXSAKSA-N 1 2 342.443 1.364 20 30 EDEDLO C[C@@H]1CN(CC[NH+]2CCN(c3ncccc3C#N)CC2)C[C@@H](C)O1 ZINC000595289880 450005557 /nfs/dbraw/zinc/00/55/57/450005557.db2.gz WKAMZKVHBSPJBU-HZPDHXFCSA-N 1 2 329.448 1.184 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000603079787 450054419 /nfs/dbraw/zinc/05/44/19/450054419.db2.gz YBIFHUZWPJSHTJ-UHFFFAOYSA-N 1 2 342.378 1.781 20 30 EDEDLO C[C@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@H](C)N1CC#N ZINC000603091024 450059167 /nfs/dbraw/zinc/05/91/67/450059167.db2.gz NPXVRIVYRJKVKA-HOTGVXAUSA-N 1 2 337.427 1.990 20 30 EDEDLO CC1(C)[C@H](NC(=O)c2ccc(C#N)c(O)c2)C[C@H]1[NH+]1CCOCC1 ZINC000603116005 450077829 /nfs/dbraw/zinc/07/78/29/450077829.db2.gz MHZQPUPLXAVSDT-HZPDHXFCSA-N 1 2 329.400 1.493 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599669348 450141743 /nfs/dbraw/zinc/14/17/43/450141743.db2.gz OADDDFXKUHXONH-DOMZBBRYSA-N 1 2 345.399 1.159 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599669348 450141745 /nfs/dbraw/zinc/14/17/45/450141745.db2.gz OADDDFXKUHXONH-DOMZBBRYSA-N 1 2 345.399 1.159 20 30 EDEDLO C[C@@]1(C#N)CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000595439080 450144407 /nfs/dbraw/zinc/14/44/07/450144407.db2.gz DMISKDUWDWFVIX-KRWDZBQOSA-N 1 2 329.404 1.363 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679686 450147668 /nfs/dbraw/zinc/14/76/68/450147668.db2.gz WWGGVBNKFGWADS-UHFFFAOYSA-N 1 2 335.411 1.767 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679686 450147672 /nfs/dbraw/zinc/14/76/72/450147672.db2.gz WWGGVBNKFGWADS-UHFFFAOYSA-N 1 2 335.411 1.767 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2c(Cl)cccc2C(=O)OC)nn1 ZINC000603235360 450164329 /nfs/dbraw/zinc/16/43/29/450164329.db2.gz PTTUYNDTOFQPOG-UHFFFAOYSA-N 1 2 332.791 1.879 20 30 EDEDLO N#Cc1c(Cn2cc(C[NH+]3CCSCC3)nn2)cn2ccccc12 ZINC000603192364 450131363 /nfs/dbraw/zinc/13/13/63/450131363.db2.gz YYEUPSZIIFQQPO-UHFFFAOYSA-N 1 2 338.440 2.000 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595431529 450138611 /nfs/dbraw/zinc/13/86/11/450138611.db2.gz QXBLWUOGEIMLNO-JKSUJKDBSA-N 1 2 330.384 1.527 20 30 EDEDLO COC(=O)[C@H]1C[C@@H](C(=O)OC)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595431529 450138616 /nfs/dbraw/zinc/13/86/16/450138616.db2.gz QXBLWUOGEIMLNO-JKSUJKDBSA-N 1 2 330.384 1.527 20 30 EDEDLO N#Cc1c(F)cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1F ZINC000597706427 450209882 /nfs/dbraw/zinc/20/98/82/450209882.db2.gz FXGMGCYXNGAJKK-ZDUSSCGKSA-N 1 2 335.354 1.773 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000597708302 450211566 /nfs/dbraw/zinc/21/15/66/450211566.db2.gz XZOKHBMNUWALGV-KRWDZBQOSA-N 1 2 342.443 1.561 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000610449592 450223180 /nfs/dbraw/zinc/22/31/80/450223180.db2.gz WBUPELZCMBVICH-INIZCTEOSA-N 1 2 332.400 1.980 20 30 EDEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000610449592 450223186 /nfs/dbraw/zinc/22/31/86/450223186.db2.gz WBUPELZCMBVICH-INIZCTEOSA-N 1 2 332.400 1.980 20 30 EDEDLO N#CCCCCC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000597677994 450190038 /nfs/dbraw/zinc/19/00/38/450190038.db2.gz KNXGLCATIKAHQW-OAHLLOKOSA-N 1 2 325.478 1.737 20 30 EDEDLO COCc1cc(C#N)ccc1N1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000603269030 450194792 /nfs/dbraw/zinc/19/47/92/450194792.db2.gz LJAFVMZHFIIVET-MRXNPFEDSA-N 1 2 349.456 1.014 20 30 EDEDLO COCc1cc(C#N)ccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000603269115 450195485 /nfs/dbraw/zinc/19/54/85/450195485.db2.gz NKSXMKDCQKNRHK-UHFFFAOYSA-N 1 2 342.443 1.449 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1(C)C ZINC000603375258 450269464 /nfs/dbraw/zinc/26/94/64/450269464.db2.gz OXDPIGILKDLAMG-UHFFFAOYSA-N 1 2 325.409 1.553 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1(C)C ZINC000603375258 450269466 /nfs/dbraw/zinc/26/94/66/450269466.db2.gz OXDPIGILKDLAMG-UHFFFAOYSA-N 1 2 325.409 1.553 20 30 EDEDLO Cc1cn2c([nH+]1)CN(CC#CCN1C(=O)c3ccccc3C1=O)CC2 ZINC000625317621 450288560 /nfs/dbraw/zinc/28/85/60/450288560.db2.gz LAGZJNSEGMPLDK-UHFFFAOYSA-N 1 2 334.379 1.307 20 30 EDEDLO COCc1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)no1 ZINC000603430406 450299211 /nfs/dbraw/zinc/29/92/11/450299211.db2.gz HMVJDJBVYVUHHW-KRWDZBQOSA-N 1 2 340.383 1.583 20 30 EDEDLO C=C[C@H](C(=O)OC)N1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000619717823 450318377 /nfs/dbraw/zinc/31/83/77/450318377.db2.gz MQXUKFQCEIFDHM-SJORKVTESA-N 1 2 343.427 1.137 20 30 EDEDLO C=CCOc1cccnc1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619887490 450355640 /nfs/dbraw/zinc/35/56/40/450355640.db2.gz LYUCJZAGQNKKSC-UHFFFAOYSA-N 1 2 345.443 1.831 20 30 EDEDLO Cn1cccc1C(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000603849782 450359067 /nfs/dbraw/zinc/35/90/67/450359067.db2.gz KDCSNOKITFPCON-UHFFFAOYSA-N 1 2 338.411 1.734 20 30 EDEDLO C[C@H]([NH2+]CC#CCN1C(=O)c2ccccc2C1=O)c1csnn1 ZINC000625470594 450379366 /nfs/dbraw/zinc/37/93/66/450379366.db2.gz GMOYUCJNLNVYAX-NSHDSACASA-N 1 2 326.381 1.488 20 30 EDEDLO CN1CCN(S(=O)(=O)c2cccc(CC#N)c2)c2ccc[nH+]c21 ZINC000619489642 450488363 /nfs/dbraw/zinc/48/83/63/450488363.db2.gz ZCOBYQNZZMJPKF-UHFFFAOYSA-N 1 2 328.397 1.793 20 30 EDEDLO C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@@H](O)C(F)(F)F ZINC000625280440 451257191 /nfs/dbraw/zinc/25/71/91/451257191.db2.gz ISMRNAHVRUZRGA-CYBMUJFWSA-N 1 2 340.301 1.141 20 30 EDEDLO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@@H](O)C(F)(F)F ZINC000625280440 451257196 /nfs/dbraw/zinc/25/71/96/451257196.db2.gz ISMRNAHVRUZRGA-CYBMUJFWSA-N 1 2 340.301 1.141 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)NCCC2=CCCCC2)nn1 ZINC000640808203 451600093 /nfs/dbraw/zinc/60/00/93/451600093.db2.gz RIKGLIKBFWXXGC-HNNXBMFYSA-N 1 2 329.448 1.959 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc3ccccc3n2C)CC1 ZINC000637880379 452133042 /nfs/dbraw/zinc/13/30/42/452133042.db2.gz KRAPWBUDFBQAEQ-UHFFFAOYSA-N 1 2 326.444 1.598 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000652083677 452271693 /nfs/dbraw/zinc/27/16/93/452271693.db2.gz JHOJIHSNEMQSDK-RDTXWAMCSA-N 1 2 335.448 1.386 20 30 EDEDLO C=CCC1(C(=O)N2CCO[C@H](C[NH+]3CCN(C)CC3)C2)CCCCC1 ZINC000648276914 452964501 /nfs/dbraw/zinc/96/45/01/452964501.db2.gz LNNKPGBOHHEVPP-GOSISDBHSA-N 1 2 349.519 1.988 20 30 EDEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000665390483 453678319 /nfs/dbraw/zinc/67/83/19/453678319.db2.gz GUXPJURVPDWFFE-HUUCEWRRSA-N 1 2 336.480 1.712 20 30 EDEDLO CC[N@H+](CCCNC(=O)Nc1nn(C)cc1C#N)c1ccccc1 ZINC000610564916 486713729 /nfs/dbraw/zinc/71/37/29/486713729.db2.gz TYNHFFUHCSYCOB-UHFFFAOYSA-N 1 2 326.404 2.330 20 30 EDEDLO CC[N@@H+](CCCNC(=O)Nc1nn(C)cc1C#N)c1ccccc1 ZINC000610564916 486713732 /nfs/dbraw/zinc/71/37/32/486713732.db2.gz TYNHFFUHCSYCOB-UHFFFAOYSA-N 1 2 326.404 2.330 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(F)c(F)c2F)CC1 ZINC000667492112 486808046 /nfs/dbraw/zinc/80/80/46/486808046.db2.gz WJAQACAEKJFTMS-UHFFFAOYSA-N 1 2 327.350 1.524 20 30 EDEDLO COCC#CC[NH+]1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000677817882 487174736 /nfs/dbraw/zinc/17/47/36/487174736.db2.gz VSFPYJUINVSVEL-UHFFFAOYSA-N 1 2 348.443 1.480 20 30 EDEDLO COCC#CCN1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000677817882 487174738 /nfs/dbraw/zinc/17/47/38/487174738.db2.gz VSFPYJUINVSVEL-UHFFFAOYSA-N 1 2 348.443 1.480 20 30 EDEDLO COCC#CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000677820002 487174786 /nfs/dbraw/zinc/17/47/86/487174786.db2.gz SINNXJLEUDNUFE-UHFFFAOYSA-N 1 2 335.835 1.546 20 30 EDEDLO C=CCOc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)c1 ZINC000668633054 485972362 /nfs/dbraw/zinc/97/23/62/485972362.db2.gz GEVWJCJFKMQJFK-BBWFWOEESA-N 1 2 337.441 1.495 20 30 EDEDLO C=CCOc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)c1 ZINC000668633054 485972367 /nfs/dbraw/zinc/97/23/67/485972367.db2.gz GEVWJCJFKMQJFK-BBWFWOEESA-N 1 2 337.441 1.495 20 30 EDEDLO N#CC1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000105078622 534585297 /nfs/dbraw/zinc/58/52/97/534585297.db2.gz QDMXKMFXTWIDSS-SFHVURJKSA-N 1 2 342.443 1.833 20 30 EDEDLO N#CC1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000105078622 534585308 /nfs/dbraw/zinc/58/53/08/534585308.db2.gz QDMXKMFXTWIDSS-SFHVURJKSA-N 1 2 342.443 1.833 20 30 EDEDLO C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000124937552 526661390 /nfs/dbraw/zinc/66/13/90/526661390.db2.gz FBSYCMSTZQTGHK-ZDUSSCGKSA-N 1 2 333.457 1.978 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000174326123 527022392 /nfs/dbraw/zinc/02/23/92/527022392.db2.gz ULCHFDCVBDRISW-NEPJUHHUSA-N 1 2 328.372 1.534 20 30 EDEDLO C=CCC1(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCC1 ZINC000191665165 527044198 /nfs/dbraw/zinc/04/41/98/527044198.db2.gz OYLQAZXOXKFDHL-UHFFFAOYSA-N 1 2 340.431 1.758 20 30 EDEDLO CC(C)C[NH+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000156608245 528005328 /nfs/dbraw/zinc/00/53/28/528005328.db2.gz BFYGKHMUUQUXAJ-UHFFFAOYSA-N 1 2 335.473 1.606 20 30 EDEDLO CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000125281386 528693086 /nfs/dbraw/zinc/69/30/86/528693086.db2.gz FRBFJNOVWDGCCF-MRXNPFEDSA-N 1 2 329.448 1.207 20 30 EDEDLO COc1ccc(Cl)cc1NC(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284598629 536576223 /nfs/dbraw/zinc/57/62/23/536576223.db2.gz YJKCMLRSUILNBW-LBPRGKRZSA-N 1 2 327.768 1.755 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000743875903 579493208 /nfs/dbraw/zinc/49/32/08/579493208.db2.gz SMTAAOOSDQYVTN-UHFFFAOYSA-N 1 2 344.346 1.179 20 30 EDEDLO C#Cc1ccc(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cn1 ZINC000728812931 578552314 /nfs/dbraw/zinc/55/23/14/578552314.db2.gz QDZXYLIJYFZSOH-CQSZACIVSA-N 1 2 336.395 1.613 20 30 EDEDLO CC(C)[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H](C)O ZINC000730419769 578648125 /nfs/dbraw/zinc/64/81/25/578648125.db2.gz OXKVPVWMJQWMNM-OCCSQVGLSA-N 1 2 342.399 1.603 20 30 EDEDLO CC(C)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C[C@@H](C)O ZINC000730419769 578648126 /nfs/dbraw/zinc/64/81/26/578648126.db2.gz OXKVPVWMJQWMNM-OCCSQVGLSA-N 1 2 342.399 1.603 20 30 EDEDLO CC(=[NH+]NC(=S)NCC(N)=O)c1ccc(N2CCCCC2)cc1 ZINC000731929215 578683826 /nfs/dbraw/zinc/68/38/26/578683826.db2.gz BMJKSMIFBLVPRN-UHFFFAOYSA-N 1 2 333.461 1.350 20 30 EDEDLO C[C@H](O)C1CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000732211472 578697714 /nfs/dbraw/zinc/69/77/14/578697714.db2.gz RSTGOOWBKYRKNL-ZDUSSCGKSA-N 1 2 326.400 1.513 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732809786 578730882 /nfs/dbraw/zinc/73/08/82/578730882.db2.gz HEQRPRDWFWYHTG-FZMZJTMJSA-N 1 2 348.369 1.136 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732809786 578730884 /nfs/dbraw/zinc/73/08/84/578730884.db2.gz HEQRPRDWFWYHTG-FZMZJTMJSA-N 1 2 348.369 1.136 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810175 578731131 /nfs/dbraw/zinc/73/11/31/578731131.db2.gz KGGKIDQNUGCEQH-LBPRGKRZSA-N 1 2 333.354 1.282 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810175 578731132 /nfs/dbraw/zinc/73/11/32/578731132.db2.gz KGGKIDQNUGCEQH-LBPRGKRZSA-N 1 2 333.354 1.282 20 30 EDEDLO CCCCCCNC(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000760912220 580041265 /nfs/dbraw/zinc/04/12/65/580041265.db2.gz WPKFBGWSOZTFHN-UHFFFAOYSA-N 1 2 329.448 1.772 20 30 EDEDLO O=S1(=O)CC[C@H](N[NH+]=Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000735970076 578943742 /nfs/dbraw/zinc/94/37/42/578943742.db2.gz ULOYRQSLGJORDC-VIFPVBQESA-N 1 2 348.881 1.507 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000736196463 578962293 /nfs/dbraw/zinc/96/22/93/578962293.db2.gz PXLDYZZQSNNKOL-AWEZNQCLSA-N 1 2 331.328 1.418 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000736196463 578962294 /nfs/dbraw/zinc/96/22/94/578962294.db2.gz PXLDYZZQSNNKOL-AWEZNQCLSA-N 1 2 331.328 1.418 20 30 EDEDLO C=CCN1CC(=O)N([C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1=O ZINC000761278817 580053764 /nfs/dbraw/zinc/05/37/64/580053764.db2.gz MKFVVOPQSCZTGF-KRWDZBQOSA-N 1 2 343.427 1.380 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CNC(C)=O)CC1 ZINC000739912696 579267049 /nfs/dbraw/zinc/26/70/49/579267049.db2.gz RAACZMZLRYZKKR-QGZVFWFLSA-N 1 2 329.400 1.620 20 30 EDEDLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000745097858 579538674 /nfs/dbraw/zinc/53/86/74/579538674.db2.gz MDGSWALPJNQSEV-GOEBONIOSA-N 1 2 331.416 1.983 20 30 EDEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1ccccc1 ZINC000745097858 579538675 /nfs/dbraw/zinc/53/86/75/579538675.db2.gz MDGSWALPJNQSEV-GOEBONIOSA-N 1 2 331.416 1.983 20 30 EDEDLO C=CCn1nnn(C[N@H+]2CCC[C@@H](C(=O)NCCCC)C2)c1=S ZINC000747800745 579658772 /nfs/dbraw/zinc/65/87/72/579658772.db2.gz AUQVCFREFKEGRS-CYBMUJFWSA-N 1 2 338.481 1.581 20 30 EDEDLO C=CCn1nnn(C[N@@H+]2CCC[C@@H](C(=O)NCCCC)C2)c1=S ZINC000747800745 579658773 /nfs/dbraw/zinc/65/87/73/579658773.db2.gz AUQVCFREFKEGRS-CYBMUJFWSA-N 1 2 338.481 1.581 20 30 EDEDLO CC(=NNc1nnc(C)c(=O)[nH]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000748132211 579671438 /nfs/dbraw/zinc/67/14/38/579671438.db2.gz RFKGFNKQVFPYHZ-UHFFFAOYSA-N 1 2 330.392 1.662 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CON=Cc2ccc(C(C)C)cc2)CC1 ZINC000749875077 579742701 /nfs/dbraw/zinc/74/27/01/579742701.db2.gz BVSCTROWFHMFCU-UHFFFAOYSA-N 1 2 327.428 1.938 20 30 EDEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000753208287 579874914 /nfs/dbraw/zinc/87/49/14/579874914.db2.gz LQYUPXCQXDVDDB-KRWDZBQOSA-N 1 2 339.399 1.776 20 30 EDEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nnc2n1CCCCC2)[C@H]1CCSC1 ZINC000753949765 579892044 /nfs/dbraw/zinc/89/20/44/579892044.db2.gz MMXHEBOIWGABKL-QWHCGFSZSA-N 1 2 333.461 1.618 20 30 EDEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nnc2n1CCCCC2)[C@H]1CCSC1 ZINC000753949765 579892045 /nfs/dbraw/zinc/89/20/45/579892045.db2.gz MMXHEBOIWGABKL-QWHCGFSZSA-N 1 2 333.461 1.618 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000754305638 579901029 /nfs/dbraw/zinc/90/10/29/579901029.db2.gz XFUDBHJSZVATGT-YQTDCCHMSA-N 1 2 331.441 1.094 20 30 EDEDLO Cc1ccc2[nH+]c(CNc3cccc(S(N)(=O)=O)c3C#N)cn2c1 ZINC000754976593 579917226 /nfs/dbraw/zinc/91/72/26/579917226.db2.gz LBGPFWQTKHLEOK-UHFFFAOYSA-N 1 2 341.396 1.774 20 30 EDEDLO N#Cc1c(N2CCC[C@H](n3cc[nH+]c3)C2)cccc1S(N)(=O)=O ZINC000754992724 579917644 /nfs/dbraw/zinc/91/76/44/579917644.db2.gz IAWMGRFZRLHVID-LBPRGKRZSA-N 1 2 331.401 1.244 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(Cn2cccc(C#N)c2=O)CC1 ZINC000758198002 579976712 /nfs/dbraw/zinc/97/67/12/579976712.db2.gz PPJJNMKGPOMSHQ-UHFFFAOYSA-N 1 2 327.388 1.100 20 30 EDEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1nc2cnccn2c1=O ZINC000758308170 579979412 /nfs/dbraw/zinc/97/94/12/579979412.db2.gz QJQLOZCRACNKBJ-UHFFFAOYSA-N 1 2 336.399 1.878 20 30 EDEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1nc2cnccn2c1=O ZINC000758308170 579979413 /nfs/dbraw/zinc/97/94/13/579979413.db2.gz QJQLOZCRACNKBJ-UHFFFAOYSA-N 1 2 336.399 1.878 20 30 EDEDLO C#CCNC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000762551346 580077309 /nfs/dbraw/zinc/07/73/09/580077309.db2.gz IGCVRSDFBSGWOI-UHFFFAOYSA-N 1 2 345.443 1.763 20 30 EDEDLO C#CCNC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000762551346 580077310 /nfs/dbraw/zinc/07/73/10/580077310.db2.gz IGCVRSDFBSGWOI-UHFFFAOYSA-N 1 2 345.443 1.763 20 30 EDEDLO NC(=[NH+]OCCOCCO)c1ccc(OCc2cccnc2)cc1 ZINC000763426653 580100091 /nfs/dbraw/zinc/10/00/91/580100091.db2.gz MCOHQCNVUXVFPS-UHFFFAOYSA-N 1 2 331.372 1.306 20 30 EDEDLO CCCCCCCC[NH+]1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000766245678 580162556 /nfs/dbraw/zinc/16/25/56/580162556.db2.gz FKVXVQTZUMLYMV-CVEARBPZSA-N 1 2 332.510 1.122 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(Cc2cccnn2)CC1=O ZINC000766286857 580163832 /nfs/dbraw/zinc/16/38/32/580163832.db2.gz DSZAGOJKXRFKBB-UHFFFAOYSA-N 1 2 334.383 1.636 20 30 EDEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCO1 ZINC000773563828 580341549 /nfs/dbraw/zinc/34/15/49/580341549.db2.gz UXFASOIAQYBVEW-HZPDHXFCSA-N 1 2 333.457 1.756 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000774243516 580357536 /nfs/dbraw/zinc/35/75/36/580357536.db2.gz GVZXBKVEPJFIPV-UHFFFAOYSA-N 1 2 348.362 1.601 20 30 EDEDLO C#C[C@H]([NH2+]CC(=O)Nc1nnc(CCCCC)s1)[C@@H]1CCCO1 ZINC000775793623 580400911 /nfs/dbraw/zinc/40/09/11/580400911.db2.gz VZNNLJDTKYYPMN-STQMWFEESA-N 1 2 336.461 1.980 20 30 EDEDLO C[C@@H]1CN=C(N[NH+]=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 ZINC000779798944 580497677 /nfs/dbraw/zinc/49/76/77/580497677.db2.gz IQLVACCFPOWZPG-GFCCVEGCSA-N 1 2 330.392 1.856 20 30 EDEDLO C#CCCCCCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000779884883 580501007 /nfs/dbraw/zinc/50/10/07/580501007.db2.gz PCPIAJSMDZMULF-UHFFFAOYSA-N 1 2 329.448 1.299 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000780044385 580509130 /nfs/dbraw/zinc/50/91/30/580509130.db2.gz LXIYMTHYTJTQEP-CYBMUJFWSA-N 1 2 341.371 1.319 20 30 EDEDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N=NCC3(C)CC3)nc2)CC1 ZINC000782152183 580567913 /nfs/dbraw/zinc/56/79/13/580567913.db2.gz PYJIJNXFOSOKDV-UHFFFAOYSA-N 1 2 337.449 1.216 20 30 EDEDLO O=C(NCC[NH2+][C@H](c1ncc[nH]1)c1ccccc1)C1N=CC=CC1=O ZINC000783252475 580596644 /nfs/dbraw/zinc/59/66/44/580596644.db2.gz QUFWQZNBMVCOTP-ROAZCBAYSA-N 1 2 337.383 1.615 20 30 EDEDLO C#CCOCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000785158301 580636848 /nfs/dbraw/zinc/63/68/48/580636848.db2.gz SOIQLUYPZHGVDZ-UHFFFAOYSA-N 1 2 340.383 1.155 20 30 EDEDLO C=CCCN(C)C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000786131535 580662360 /nfs/dbraw/zinc/66/23/60/580662360.db2.gz IIXWZAPKMUQFEN-UHFFFAOYSA-N 1 2 340.468 1.757 20 30 EDEDLO CCOCCO[C@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793510910 580846580 /nfs/dbraw/zinc/84/65/80/580846580.db2.gz GCUUYZAFPIOSLR-INIZCTEOSA-N 1 2 345.443 1.684 20 30 EDEDLO CCOCCO[C@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793510910 580846581 /nfs/dbraw/zinc/84/65/81/580846581.db2.gz GCUUYZAFPIOSLR-INIZCTEOSA-N 1 2 345.443 1.684 20 30 EDEDLO COCCO[C@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793517142 580846892 /nfs/dbraw/zinc/84/68/92/580846892.db2.gz QGQPAMVFXHZLLW-HNNXBMFYSA-N 1 2 331.416 1.294 20 30 EDEDLO COCCO[C@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793517142 580846893 /nfs/dbraw/zinc/84/68/93/580846893.db2.gz QGQPAMVFXHZLLW-HNNXBMFYSA-N 1 2 331.416 1.294 20 30 EDEDLO Cn1c[nH+]c(CN=Nc2ccc(S(=O)(=O)NC3CCCC3)cn2)c1 ZINC000794492530 580894467 /nfs/dbraw/zinc/89/44/67/580894467.db2.gz RVCISDCDLHTMMV-UHFFFAOYSA-N 1 2 348.432 1.482 20 30 EDEDLO CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000796565734 580956663 /nfs/dbraw/zinc/95/66/63/580956663.db2.gz RRTWJVUYJALPJG-UHFFFAOYSA-N 1 2 330.450 1.369 20 30 EDEDLO COCCn1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 ZINC000798274706 580992764 /nfs/dbraw/zinc/99/27/64/580992764.db2.gz JEKNIAGWPYQPLE-LSDHHAIUSA-N 1 2 349.435 1.378 20 30 EDEDLO Cc1cc[nH+]cc1N1CCN(Cn2nc(CC#N)n(C)c2=S)CC1 ZINC000799153873 581019730 /nfs/dbraw/zinc/01/97/30/581019730.db2.gz HHCRYFKNBZSBAX-UHFFFAOYSA-N 1 2 343.460 1.500 20 30 EDEDLO CCCCCCCS(=O)(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000799779076 581036632 /nfs/dbraw/zinc/03/66/32/581036632.db2.gz PYHQFAWMNVTATB-OAHLLOKOSA-N 1 2 348.509 1.856 20 30 EDEDLO C#CCOCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000799970806 581040235 /nfs/dbraw/zinc/04/02/35/581040235.db2.gz VIGGAGYWYUTBLK-HNNXBMFYSA-N 1 2 330.432 1.758 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1 ZINC000800494172 581053968 /nfs/dbraw/zinc/05/39/68/581053968.db2.gz UBFYQVWINIQYIU-UHFFFAOYSA-N 1 2 347.216 1.716 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801553354 581079567 /nfs/dbraw/zinc/07/95/67/581079567.db2.gz UJMICUFWNIVKQO-AWEZNQCLSA-N 1 2 338.415 1.026 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@@H](C)Cc2ccc(C#N)cc2)C[N@@H+]1C ZINC000893571588 590972883 /nfs/dbraw/zinc/97/28/83/590972883.db2.gz BVODJSSUHDYNEQ-CRFBAAHOSA-N 1 2 344.411 1.916 20 30 EDEDLO COC(=O)[C@]1(C)C[C@@H](OC(=O)[C@@H](C)Cc2ccc(C#N)cc2)C[N@H+]1C ZINC000893571588 590972885 /nfs/dbraw/zinc/97/28/85/590972885.db2.gz BVODJSSUHDYNEQ-CRFBAAHOSA-N 1 2 344.411 1.916 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)C2(c3ccc(C#N)cc3)CC2)C[N@@H+]1C ZINC000893576391 590978375 /nfs/dbraw/zinc/97/83/75/590978375.db2.gz VCAJJFMMMKAONO-MAUKXSAKSA-N 1 2 342.395 1.769 20 30 EDEDLO COC(=O)[C@@]1(C)C[C@H](OC(=O)C2(c3ccc(C#N)cc3)CC2)C[N@H+]1C ZINC000893576391 590978380 /nfs/dbraw/zinc/97/83/80/590978380.db2.gz VCAJJFMMMKAONO-MAUKXSAKSA-N 1 2 342.395 1.769 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2OCC)C1 ZINC000891606939 591147394 /nfs/dbraw/zinc/14/73/94/591147394.db2.gz JQKCYRSURORBQJ-OAHLLOKOSA-N 1 2 343.427 1.546 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2OCC)C1 ZINC000891606939 591147397 /nfs/dbraw/zinc/14/73/97/591147397.db2.gz JQKCYRSURORBQJ-OAHLLOKOSA-N 1 2 343.427 1.546 20 30 EDEDLO C[C@@]1(C#N)CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000892729834 591151301 /nfs/dbraw/zinc/15/13/01/591151301.db2.gz CJFQNDZJEMVLEA-GFCCVEGCSA-N 1 2 331.298 1.269 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000896624917 591552879 /nfs/dbraw/zinc/55/28/79/591552879.db2.gz SIVPEQQCFABZGY-QGZVFWFLSA-N 1 2 349.475 1.800 20 30 EDEDLO C[C@@H]1CN(c2ccccc2C[NH+]2CCN(C(=O)CC#N)CC2)CCO1 ZINC000895066179 591560125 /nfs/dbraw/zinc/56/01/25/591560125.db2.gz OZYUSRKVYICKOX-MRXNPFEDSA-N 1 2 342.443 1.470 20 30 EDEDLO CC(C)(C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)c1ccc(C#N)cc1 ZINC000899065800 591659293 /nfs/dbraw/zinc/65/92/93/591659293.db2.gz UHKDCSTWOWJKMU-UHFFFAOYSA-N 1 2 343.427 1.401 20 30 EDEDLO CC(C)(C(=O)NCC[N@H+]1CCC2(C1)OCCO2)c1ccc(C#N)cc1 ZINC000899065800 591659294 /nfs/dbraw/zinc/65/92/94/591659294.db2.gz UHKDCSTWOWJKMU-UHFFFAOYSA-N 1 2 343.427 1.401 20 30 EDEDLO C=C1CC(C)(c2noc([C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)n2)C1 ZINC000896916947 591679903 /nfs/dbraw/zinc/67/99/03/591679903.db2.gz VFZCPDRCYPGTMS-AWEZNQCLSA-N 1 2 346.431 1.325 20 30 EDEDLO N#Cc1cnn2cc(C[N@@H+]3CCn4c(cnc4C(F)(F)F)C3)cnc12 ZINC000896935002 591688234 /nfs/dbraw/zinc/68/82/34/591688234.db2.gz YGHARMFITOCXAF-UHFFFAOYSA-N 1 2 347.304 1.832 20 30 EDEDLO N#Cc1cnn2cc(C[N@H+]3CCn4c(cnc4C(F)(F)F)C3)cnc12 ZINC000896935002 591688238 /nfs/dbraw/zinc/68/82/38/591688238.db2.gz YGHARMFITOCXAF-UHFFFAOYSA-N 1 2 347.304 1.832 20 30 EDEDLO C(#C[C@@H]1CCCCO1)CNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000899262358 591753096 /nfs/dbraw/zinc/75/30/96/591753096.db2.gz JPJAGKQCMIWGKR-ZDUSSCGKSA-N 1 2 335.371 1.590 20 30 EDEDLO C#Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cn1 ZINC000728808364 591831111 /nfs/dbraw/zinc/83/11/11/591831111.db2.gz JPFCDHYCWVUDPU-UHFFFAOYSA-N 1 2 348.406 1.703 20 30 EDEDLO C#Cc1ccc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cn1 ZINC000728857499 591872916 /nfs/dbraw/zinc/87/29/16/591872916.db2.gz JCPXSOGBHVDUDH-UHFFFAOYSA-N 1 2 345.406 1.669 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000900221776 591953633 /nfs/dbraw/zinc/95/36/33/591953633.db2.gz VLONSPCCPLHSRT-CMDGGOBGSA-N 1 2 330.428 1.963 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CN3C[C@]4(CCCOC4)C3=O)C2)nc1 ZINC000902279282 591961281 /nfs/dbraw/zinc/96/12/81/591961281.db2.gz VJZRZWZVWWUBDA-QAPCUYQASA-N 1 2 342.399 1.003 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CN3C[C@]4(CCCOC4)C3=O)C2)nc1 ZINC000902279282 591961282 /nfs/dbraw/zinc/96/12/82/591961282.db2.gz VJZRZWZVWWUBDA-QAPCUYQASA-N 1 2 342.399 1.003 20 30 EDEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@@H]4C[C@@H]4C3=O)CC2)c(F)c1 ZINC000902267153 591965764 /nfs/dbraw/zinc/96/57/64/591965764.db2.gz TYCHJTZIVPUCIO-ZFWWWQNUSA-N 1 2 329.375 1.976 20 30 EDEDLO Cc1ccn(C[NH+]2CCC(N3CCCOC3=O)CC2)c(=O)c1C#N ZINC000902594292 592016176 /nfs/dbraw/zinc/01/61/76/592016176.db2.gz QEQGSBBMVBXOAF-UHFFFAOYSA-N 1 2 330.388 1.293 20 30 EDEDLO C#CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)cc1 ZINC000900626745 592075826 /nfs/dbraw/zinc/07/58/26/592075826.db2.gz NGIIROMOSUCSDR-OAHLLOKOSA-N 1 2 344.411 1.912 20 30 EDEDLO C#CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)cc1 ZINC000900626745 592075829 /nfs/dbraw/zinc/07/58/29/592075829.db2.gz NGIIROMOSUCSDR-OAHLLOKOSA-N 1 2 344.411 1.912 20 30 EDEDLO N#CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)c1ccccc1 ZINC000902983033 592092658 /nfs/dbraw/zinc/09/26/58/592092658.db2.gz KLEGTKMHYJXHGG-SJORKVTESA-N 1 2 329.400 1.423 20 30 EDEDLO C#CCN1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000900688696 592095301 /nfs/dbraw/zinc/09/53/01/592095301.db2.gz BHVYRUOEPKYORK-UHFFFAOYSA-N 1 2 337.427 1.386 20 30 EDEDLO COC(=O)N1C/C(=C/c2cncn2C)C(=O)/C(=C\c2c[nH+]cn2C)C1 ZINC000901462195 592370319 /nfs/dbraw/zinc/37/03/19/592370319.db2.gz RTHRQMKWNSSPBO-FQCPIAEUSA-N 1 2 341.371 1.272 20 30 EDEDLO CC(=O)N1CC[NH+]([C@H]2CN(C(=O)c3ccsc3C#N)C[C@@H]2C)CC1 ZINC000906934775 592416702 /nfs/dbraw/zinc/41/67/02/592416702.db2.gz TXEJPNHPHXMFNQ-WFASDCNBSA-N 1 2 346.456 1.244 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000907054321 592497828 /nfs/dbraw/zinc/49/78/28/592497828.db2.gz FHWGYVKBQUUGHI-ROUUACIJSA-N 1 2 348.468 1.590 20 30 EDEDLO C=CCn1c([C@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC000908695575 592574643 /nfs/dbraw/zinc/57/46/43/592574643.db2.gz QQACSMOZKXYYOX-BYNSBNAKSA-N 1 2 349.504 1.655 20 30 EDEDLO C=CCn1c([C@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC000908695575 592574645 /nfs/dbraw/zinc/57/46/45/592574645.db2.gz QQACSMOZKXYYOX-BYNSBNAKSA-N 1 2 349.504 1.655 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)nc1 ZINC000907295772 592588917 /nfs/dbraw/zinc/58/89/17/592588917.db2.gz REHPPZXNEGPQEW-MRXNPFEDSA-N 1 2 342.424 1.506 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)nc1 ZINC000907295772 592588920 /nfs/dbraw/zinc/58/89/20/592588920.db2.gz REHPPZXNEGPQEW-MRXNPFEDSA-N 1 2 342.424 1.506 20 30 EDEDLO C/C(=C\C(=O)N[C@@]1(C#N)CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000907450579 592661894 /nfs/dbraw/zinc/66/18/94/592661894.db2.gz KRGQXAXQYRYZOF-GRFAERAESA-N 1 2 339.439 1.832 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)[C@H](C)CC#N ZINC000907584576 592722264 /nfs/dbraw/zinc/72/22/64/592722264.db2.gz WVSYXFNZQCHFGV-IAQYHMDHSA-N 1 2 325.372 1.192 20 30 EDEDLO C=C(C)Cn1c([C@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CC[C@H](OCC)C1 ZINC000909296886 592793641 /nfs/dbraw/zinc/79/36/41/592793641.db2.gz KXTFBFCLIORVJS-HRCADAONSA-N 1 2 349.479 1.861 20 30 EDEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CC[C@H](OCC)C1 ZINC000909296886 592793643 /nfs/dbraw/zinc/79/36/43/592793643.db2.gz KXTFBFCLIORVJS-HRCADAONSA-N 1 2 349.479 1.861 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2c2c[nH+]cn2C)C1 ZINC000910842605 592895916 /nfs/dbraw/zinc/89/59/16/592895916.db2.gz NUAJIQLGUQKKSH-HZPDHXFCSA-N 1 2 342.443 1.736 20 30 EDEDLO COCC[NH+]1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888411184 593053232 /nfs/dbraw/zinc/05/32/32/593053232.db2.gz PAXBNXMNARFCJB-UHFFFAOYSA-N 1 2 329.813 1.464 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 ZINC000806948339 593130794 /nfs/dbraw/zinc/13/07/94/593130794.db2.gz GJAGABITBPHSRZ-UHFFFAOYSA-N 1 2 339.399 1.434 20 30 EDEDLO COC(=O)c1cccc(C[NH2+]C(C)(C)C(=O)N2CCCC2)c1C#N ZINC000796585597 593192451 /nfs/dbraw/zinc/19/24/51/593192451.db2.gz SNAUTUKVQNGPPQ-UHFFFAOYSA-N 1 2 329.400 1.835 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000839956879 593229641 /nfs/dbraw/zinc/22/96/41/593229641.db2.gz ACHDZKSIHOZEPD-KRWDZBQOSA-N 1 2 330.428 1.632 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1)CN1CC2(CCOCC2)[C@@H](O)C1=O ZINC000839956879 593229643 /nfs/dbraw/zinc/22/96/43/593229643.db2.gz ACHDZKSIHOZEPD-KRWDZBQOSA-N 1 2 330.428 1.632 20 30 EDEDLO C#CC[C@H]([NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)C(=O)OC ZINC000839168857 593270231 /nfs/dbraw/zinc/27/02/31/593270231.db2.gz NLKDDWKHXOUWLA-WFASDCNBSA-N 1 2 328.368 1.216 20 30 EDEDLO N#CCCNC(=O)C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000808779776 593287563 /nfs/dbraw/zinc/28/75/63/593287563.db2.gz KQRFGVYRURFHAF-UHFFFAOYSA-N 1 2 329.429 1.448 20 30 EDEDLO N#CC1(OCCOC(=O)c2ccc(-n3cc[nH+]c3)nc2)CCOCC1 ZINC000809085184 593316272 /nfs/dbraw/zinc/31/62/72/593316272.db2.gz OOOSPXGLRPSFFI-UHFFFAOYSA-N 1 2 342.355 1.513 20 30 EDEDLO CC[C@@](C)(C#N)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000803782029 593363299 /nfs/dbraw/zinc/36/32/99/593363299.db2.gz IGKCVIOLHICOGX-KRWDZBQOSA-N 1 2 349.456 1.875 20 30 EDEDLO C=CCN1CCN(C[N@@H+](CCC(=O)OC)Cc2ccncc2)C1=O ZINC000840025508 593388577 /nfs/dbraw/zinc/38/85/77/593388577.db2.gz SZELUBLEFKRDTD-UHFFFAOYSA-N 1 2 332.404 1.328 20 30 EDEDLO C=CCN1CCN(C[N@H+](CCC(=O)OC)Cc2ccncc2)C1=O ZINC000840025508 593388580 /nfs/dbraw/zinc/38/85/80/593388580.db2.gz SZELUBLEFKRDTD-UHFFFAOYSA-N 1 2 332.404 1.328 20 30 EDEDLO N#Cc1sc(Nc2ccn(CC[NH+]3CCOCC3)n2)nc1Cl ZINC000804444336 593415811 /nfs/dbraw/zinc/41/58/11/593415811.db2.gz ZTCMATQPZBWBHJ-UHFFFAOYSA-N 1 2 338.824 1.940 20 30 EDEDLO CC1(C)[C@H](O)CC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000812865588 593511204 /nfs/dbraw/zinc/51/12/04/593511204.db2.gz PTNYGJRZRCRBQJ-IUODEOHRSA-N 1 2 340.383 1.357 20 30 EDEDLO CC1(C)[C@H](O)CC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000812865588 593511205 /nfs/dbraw/zinc/51/12/05/593511205.db2.gz PTNYGJRZRCRBQJ-IUODEOHRSA-N 1 2 340.383 1.357 20 30 EDEDLO COC(=O)[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc(C#N)cc1 ZINC000817385372 593600183 /nfs/dbraw/zinc/60/01/83/593600183.db2.gz HMBGUBQUYZVMNH-BPUTZDHNSA-N 1 2 329.400 1.654 20 30 EDEDLO CC(=[NH+]Nc1ccc(S(N)(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1N ZINC000814681071 593600864 /nfs/dbraw/zinc/60/08/64/593600864.db2.gz VVAPPKUBWOERAA-UHFFFAOYSA-N 1 2 349.372 1.661 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C2CCC(OC[C@H]3CCCO3)CC2)CC1 ZINC000815594815 593643582 /nfs/dbraw/zinc/64/35/82/593643582.db2.gz YOKPMIITDKPODU-DAWZGUTISA-N 1 2 334.460 1.518 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(CN2CCOC2=O)c1 ZINC000819414146 593753845 /nfs/dbraw/zinc/75/38/45/593753845.db2.gz YDANNHLCFJZKBV-MRXNPFEDSA-N 1 2 332.404 1.257 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(CN2CCOC2=O)c1 ZINC000819414146 593753846 /nfs/dbraw/zinc/75/38/46/593753846.db2.gz YDANNHLCFJZKBV-MRXNPFEDSA-N 1 2 332.404 1.257 20 30 EDEDLO C[C@H](CNC(=O)C1(C#N)CCSCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000824270279 593973381 /nfs/dbraw/zinc/97/33/81/593973381.db2.gz LHLFVNOLEUONDZ-MCIONIFRSA-N 1 2 325.478 1.637 20 30 EDEDLO C[C@H](CNC(=O)C1(C#N)CCSCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000824270279 593973383 /nfs/dbraw/zinc/97/33/83/593973383.db2.gz LHLFVNOLEUONDZ-MCIONIFRSA-N 1 2 325.478 1.637 20 30 EDEDLO COCC(COC)[NH+]1CCN(C(=O)c2cc(C#N)ccc2C)CC1 ZINC000822601479 594072180 /nfs/dbraw/zinc/07/21/80/594072180.db2.gz YQXLELOFOYHACO-UHFFFAOYSA-N 1 2 331.416 1.286 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCC(C#N)(C(=O)OC)CC2)n(C)c1C ZINC000824872213 594087767 /nfs/dbraw/zinc/08/77/67/594087767.db2.gz PQXSDRGTGIABMJ-UHFFFAOYSA-N 1 2 333.388 1.399 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)C(C)=C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000825285866 594161337 /nfs/dbraw/zinc/16/13/37/594161337.db2.gz GYLQBCKSOAIUFS-UHFFFAOYSA-N 1 2 333.432 1.331 20 30 EDEDLO CC(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000830131603 594341708 /nfs/dbraw/zinc/34/17/08/594341708.db2.gz WWDSHXKBHBYXNL-OAHLLOKOSA-N 1 2 330.432 1.698 20 30 EDEDLO CC(=O)NCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000830131603 594341711 /nfs/dbraw/zinc/34/17/11/594341711.db2.gz WWDSHXKBHBYXNL-OAHLLOKOSA-N 1 2 330.432 1.698 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2CC2CC2)CC1 ZINC000830481384 594404445 /nfs/dbraw/zinc/40/44/45/594404445.db2.gz GGPNPVDTAZIUCY-HNNXBMFYSA-N 1 2 347.463 1.167 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CC(=O)N(C)CC2CCCCC2)CC1 ZINC000831691254 594693041 /nfs/dbraw/zinc/69/30/41/594693041.db2.gz KCLSROGCXDIKOL-UHFFFAOYSA-N 1 2 335.448 1.804 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000831691534 594693095 /nfs/dbraw/zinc/69/30/95/594693095.db2.gz QEKLJVQNQYODKC-UHFFFAOYSA-N 1 2 333.344 1.752 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000831695484 594693519 /nfs/dbraw/zinc/69/35/19/594693519.db2.gz RSQBJGBMGQYDIT-UHFFFAOYSA-N 1 2 342.399 1.911 20 30 EDEDLO Cc1ccccc1NC(=O)[C@@H](C)ON=C(N)C[NH+]1CCSCC1 ZINC000121493477 594848818 /nfs/dbraw/zinc/84/88/18/594848818.db2.gz UIYNEAQKEHVGEI-CYBMUJFWSA-N 1 2 336.461 1.660 20 30 EDEDLO C#CC1CCN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000834307298 595088758 /nfs/dbraw/zinc/08/87/58/595088758.db2.gz WTSVAXQBOCERDW-UHFFFAOYSA-N 1 2 336.395 1.897 20 30 EDEDLO C#CCNC(=O)CC[NH2+][C@@H](c1nccn1C)c1ccccc1OC ZINC000834357514 595101526 /nfs/dbraw/zinc/10/15/26/595101526.db2.gz LHXIUNLXCXNUGW-QGZVFWFLSA-N 1 2 326.400 1.247 20 30 EDEDLO N#Cc1cnn2cc(C[NH+]3CCC(C(=O)C(F)(F)F)CC3)cnc12 ZINC000843403561 595102192 /nfs/dbraw/zinc/10/21/92/595102192.db2.gz YMQSQAHRDGHRFN-UHFFFAOYSA-N 1 2 337.305 1.944 20 30 EDEDLO COc1cc2c(cc1F)C(=NNC1=[NH+][C@@H]3CCCC[C@@H]3N1)C(=O)N2 ZINC000834966311 595243420 /nfs/dbraw/zinc/24/34/20/595243420.db2.gz MYSPXTFKDIJOOF-PHIMTYICSA-N 1 2 331.351 1.351 20 30 EDEDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)/C=C/c1ccccc1C#N ZINC000842965261 595246701 /nfs/dbraw/zinc/24/67/01/595246701.db2.gz VWLGPCRIJOFIDS-KJTGTQQJSA-N 1 2 344.411 1.850 20 30 EDEDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)/C=C/c1ccccc1C#N ZINC000842965261 595246703 /nfs/dbraw/zinc/24/67/03/595246703.db2.gz VWLGPCRIJOFIDS-KJTGTQQJSA-N 1 2 344.411 1.850 20 30 EDEDLO N#CCC(=O)N1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000846953947 595342060 /nfs/dbraw/zinc/34/20/60/595342060.db2.gz FOKGJXZCWDLOSA-UHFFFAOYSA-N 1 2 327.340 1.056 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000848282994 595353436 /nfs/dbraw/zinc/35/34/36/595353436.db2.gz LSMDGWHRURSIIU-HNNXBMFYSA-N 1 2 342.439 1.934 20 30 EDEDLO C#C[C@H]1CCCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000848282994 595353439 /nfs/dbraw/zinc/35/34/39/595353439.db2.gz LSMDGWHRURSIIU-HNNXBMFYSA-N 1 2 342.439 1.934 20 30 EDEDLO COC(=O)COc1c(C)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1C ZINC000844528430 595355161 /nfs/dbraw/zinc/35/51/61/595355161.db2.gz IIVSVICDEQTHJZ-SFHVURJKSA-N 1 2 347.415 1.429 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000844526776 595355184 /nfs/dbraw/zinc/35/51/84/595355184.db2.gz INCLJCMDRJUHOF-CQSZACIVSA-N 1 2 342.758 1.890 20 30 EDEDLO Cc1nn(C)c(Br)c1C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000844526826 595355295 /nfs/dbraw/zinc/35/52/95/595355295.db2.gz JJRXIQFRPOJVPN-GFCCVEGCSA-N 1 2 328.214 1.065 20 30 EDEDLO Cc1c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000844527583 595355260 /nfs/dbraw/zinc/35/52/60/595355260.db2.gz AKHYLCRQRZTPPK-HNNXBMFYSA-N 1 2 349.347 1.694 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCNC(=O)OCc1ccccc1 ZINC000844529966 595355839 /nfs/dbraw/zinc/35/58/39/595355839.db2.gz YOUWTGCFMFTPDJ-SFHVURJKSA-N 1 2 346.431 1.653 20 30 EDEDLO CC(=NNCCCn1cc[nH+]c1)c1cn(CC(=O)OC(C)(C)C)nn1 ZINC000848416486 595375443 /nfs/dbraw/zinc/37/54/43/595375443.db2.gz MRZKDFFHVSHOGV-UHFFFAOYSA-N 1 2 347.423 1.220 20 30 EDEDLO CCc1cccc(/N=C2\NC(=O)[C@H](CC(=O)NCC[NH+](C)C)S2)c1 ZINC000106898565 595433458 /nfs/dbraw/zinc/43/34/58/595433458.db2.gz ZRJUAGUHNRPELV-AWEZNQCLSA-N 1 2 348.472 1.536 20 30 EDEDLO Cc1nonc1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000845094631 595440554 /nfs/dbraw/zinc/44/05/54/595440554.db2.gz UXUOPAQPAIMYER-UHFFFAOYSA-N 1 2 325.372 1.137 20 30 EDEDLO C#C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000847561363 595447965 /nfs/dbraw/zinc/44/79/65/595447965.db2.gz YRECDDHJEGREEF-CQSZACIVSA-N 1 2 336.395 1.897 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccccc1CC#N)C(C)(C)CO ZINC000855112326 595600444 /nfs/dbraw/zinc/60/04/44/595600444.db2.gz DXELKHQBCWVAHT-QGZVFWFLSA-N 1 2 340.427 1.905 20 30 EDEDLO C#CC[C@H](COC)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000858117037 595703139 /nfs/dbraw/zinc/70/31/39/595703139.db2.gz XOAMHOMMKRDSDH-QZTJIDSGSA-N 1 2 345.443 1.397 20 30 EDEDLO N#CC[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)C1 ZINC000853525347 595785334 /nfs/dbraw/zinc/78/53/34/595785334.db2.gz DAZVXSDBZGFBCB-CYBMUJFWSA-N 1 2 332.404 1.693 20 30 EDEDLO N#CC[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)C1 ZINC000853525347 595785336 /nfs/dbraw/zinc/78/53/36/595785336.db2.gz DAZVXSDBZGFBCB-CYBMUJFWSA-N 1 2 332.404 1.693 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@@](C)(c2ccc(F)cc2)C1=O ZINC000853620703 595834775 /nfs/dbraw/zinc/83/47/75/595834775.db2.gz APHXAGGEOVXDPP-IBGZPJMESA-N 1 2 346.402 1.772 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@@](C)(c2ccc(F)cc2)C1=O ZINC000853620703 595834779 /nfs/dbraw/zinc/83/47/79/595834779.db2.gz APHXAGGEOVXDPP-IBGZPJMESA-N 1 2 346.402 1.772 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000853620199 595835348 /nfs/dbraw/zinc/83/53/48/595835348.db2.gz UPLHZHQBSIQIRP-UHFFFAOYSA-N 1 2 331.328 1.120 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000853620199 595835350 /nfs/dbraw/zinc/83/53/50/595835350.db2.gz UPLHZHQBSIQIRP-UHFFFAOYSA-N 1 2 331.328 1.120 20 30 EDEDLO COC(=O)CCN1CCC[C@@H](O[NH+]=C(N)c2ccc(F)cc2)C1=O ZINC000853646412 595845467 /nfs/dbraw/zinc/84/54/67/595845467.db2.gz RYIWPBKTBSCLQN-CYBMUJFWSA-N 1 2 337.351 1.017 20 30 EDEDLO COC(=O)C1(CON=C(N)c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000853658150 595847966 /nfs/dbraw/zinc/84/79/66/595847966.db2.gz NEFUSYUNPMHRSM-UHFFFAOYSA-N 1 2 347.415 1.109 20 30 EDEDLO C=CC[N@H+](C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)[C@H](C)COC ZINC000852358727 596135817 /nfs/dbraw/zinc/13/58/17/596135817.db2.gz ZUJJQVPYEODLIN-CZUORRHYSA-N 1 2 327.446 1.646 20 30 EDEDLO C=CC[N@@H+](C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)[C@H](C)COC ZINC000852358727 596135818 /nfs/dbraw/zinc/13/58/18/596135818.db2.gz ZUJJQVPYEODLIN-CZUORRHYSA-N 1 2 327.446 1.646 20 30 EDEDLO C[C@@H]1C[NH+](Cc2nc3ccccc3c(=O)n2CC#N)C[C@@H](C)C1O ZINC000852502326 596184280 /nfs/dbraw/zinc/18/42/80/596184280.db2.gz CBQOJBYRLHGAFB-CHWSQXEVSA-N 1 2 326.400 1.369 20 30 EDEDLO C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CCN1S(C)(=O)=O ZINC000852531070 596191467 /nfs/dbraw/zinc/19/14/67/596191467.db2.gz UTAPYUIQKMDQGX-CQSZACIVSA-N 1 2 337.445 1.293 20 30 EDEDLO C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCN1S(C)(=O)=O ZINC000852531070 596191470 /nfs/dbraw/zinc/19/14/70/596191470.db2.gz UTAPYUIQKMDQGX-CQSZACIVSA-N 1 2 337.445 1.293 20 30 EDEDLO C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000862192584 596268103 /nfs/dbraw/zinc/26/81/03/596268103.db2.gz NXTUKKXLMJSIGN-ZDUSSCGKSA-N 1 2 328.372 1.126 20 30 EDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)nc2F)CC1 ZINC000866744072 596318491 /nfs/dbraw/zinc/31/84/91/596318491.db2.gz BTYRYWFILFUAPZ-UHFFFAOYSA-N 1 2 333.816 1.803 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2nnnn2C(C)C)c1 ZINC000862483168 596334614 /nfs/dbraw/zinc/33/46/14/596334614.db2.gz HRLZDIRATVUTLB-INIZCTEOSA-N 1 2 338.415 1.957 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2nnnn2C(C)C)c1 ZINC000862483168 596334618 /nfs/dbraw/zinc/33/46/18/596334618.db2.gz HRLZDIRATVUTLB-INIZCTEOSA-N 1 2 338.415 1.957 20 30 EDEDLO C#CC1CCN(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC000869026909 596384520 /nfs/dbraw/zinc/38/45/20/596384520.db2.gz VHAPKWRENVZQJZ-UHFFFAOYSA-N 1 2 349.475 1.847 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cscc2Cl)CC1 ZINC000865177408 596501447 /nfs/dbraw/zinc/50/14/47/596501447.db2.gz BERVHUZKLSZBKQ-UHFFFAOYSA-N 1 2 339.848 1.299 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cscc2Cl)CC1 ZINC000865177408 596501449 /nfs/dbraw/zinc/50/14/49/596501449.db2.gz BERVHUZKLSZBKQ-UHFFFAOYSA-N 1 2 339.848 1.299 20 30 EDEDLO N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000867711275 596509036 /nfs/dbraw/zinc/50/90/36/596509036.db2.gz KBUFXEXVDMUQOD-NSHDSACASA-N 1 2 329.372 1.410 20 30 EDEDLO N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000867711275 596509038 /nfs/dbraw/zinc/50/90/38/596509038.db2.gz KBUFXEXVDMUQOD-NSHDSACASA-N 1 2 329.372 1.410 20 30 EDEDLO Cn1c2ccncc2n(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1=O ZINC000863335407 596554718 /nfs/dbraw/zinc/55/47/18/596554718.db2.gz GBZPCYOPWUJXHC-UHFFFAOYSA-N 1 2 333.395 1.817 20 30 EDEDLO Cn1c2ccncc2n(C[N@H+]2CCc3c(CC#N)cccc3C2)c1=O ZINC000863335407 596554720 /nfs/dbraw/zinc/55/47/20/596554720.db2.gz GBZPCYOPWUJXHC-UHFFFAOYSA-N 1 2 333.395 1.817 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](C#N)C1 ZINC000121868032 596578671 /nfs/dbraw/zinc/57/86/71/596578671.db2.gz HAFFJIHJIBWCRD-CQSZACIVSA-N 1 2 347.419 1.635 20 30 EDEDLO C#CCCCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000863496449 596599076 /nfs/dbraw/zinc/59/90/76/596599076.db2.gz DJIDNCWQCSPCGV-GOSISDBHSA-N 1 2 329.444 1.982 20 30 EDEDLO C#CCCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000863496449 596599078 /nfs/dbraw/zinc/59/90/78/596599078.db2.gz DJIDNCWQCSPCGV-GOSISDBHSA-N 1 2 329.444 1.982 20 30 EDEDLO O=C(C#Cc1ccccc1)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000863497797 596599644 /nfs/dbraw/zinc/59/96/44/596599644.db2.gz FYDPAHAMFMFHDO-LJQANCHMSA-N 1 2 335.407 1.450 20 30 EDEDLO O=C(C#Cc1ccccc1)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000863497797 596599646 /nfs/dbraw/zinc/59/96/46/596599646.db2.gz FYDPAHAMFMFHDO-LJQANCHMSA-N 1 2 335.407 1.450 20 30 EDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CCc1cccc(C#N)c1 ZINC000868055910 596671389 /nfs/dbraw/zinc/67/13/89/596671389.db2.gz OLZOXBZLJVHLFC-HNNXBMFYSA-N 1 2 330.432 1.463 20 30 EDEDLO CC1(C)[C@H]2[C@H](CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1O ZINC000872259545 596858640 /nfs/dbraw/zinc/85/86/40/596858640.db2.gz WTZNDSXWZLPSFQ-BBWFWOEESA-N 1 2 348.468 1.813 20 30 EDEDLO CC1(C)[C@H]2[C@H](CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1O ZINC000872259545 596858643 /nfs/dbraw/zinc/85/86/43/596858643.db2.gz WTZNDSXWZLPSFQ-BBWFWOEESA-N 1 2 348.468 1.813 20 30 EDEDLO Cc1nnc(C)n1N=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872335470 596882538 /nfs/dbraw/zinc/88/25/38/596882538.db2.gz AJUDQPPWMSGJPU-UHFFFAOYSA-N 1 2 329.404 1.488 20 30 EDEDLO N#C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CCN1C1CC1 ZINC000874461522 597090518 /nfs/dbraw/zinc/09/05/18/597090518.db2.gz ZJLBCGYDVZDBRX-OAHLLOKOSA-N 1 2 337.383 1.390 20 30 EDEDLO Cn1ncc2cc(C[NH+]3CCN(c4ncccc4C#N)CC3)cnc21 ZINC000876557246 597240418 /nfs/dbraw/zinc/24/04/18/597240418.db2.gz WGURFBFGMSAGRU-UHFFFAOYSA-N 1 2 333.399 1.557 20 30 EDEDLO C=CCCCCCCCNC(=O)C(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000873885801 597432964 /nfs/dbraw/zinc/43/29/64/597432964.db2.gz FQJQSMXFHZELEO-UHFFFAOYSA-N 1 2 347.463 1.910 20 30 EDEDLO C=CCCCCCCCNC(=O)C(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000873885801 597432966 /nfs/dbraw/zinc/43/29/66/597432966.db2.gz FQJQSMXFHZELEO-UHFFFAOYSA-N 1 2 347.463 1.910 20 30 EDEDLO CC(C)C[C@@H](C(=O)NCCNc1ccc(C#N)cn1)n1cc[nH+]c1 ZINC000873982762 597478673 /nfs/dbraw/zinc/47/86/73/597478673.db2.gz RMBVCZGSEYTHJS-HNNXBMFYSA-N 1 2 326.404 1.965 20 30 EDEDLO COC(=O)c1cc(CN(CCC#N)CC[NH+]2CCOCC2)ccc1C ZINC000878159348 597582903 /nfs/dbraw/zinc/58/29/03/597582903.db2.gz JBRPFFTWTAVEBK-UHFFFAOYSA-N 1 2 345.443 1.830 20 30 EDEDLO C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879584830 597644412 /nfs/dbraw/zinc/64/44/12/597644412.db2.gz KLRQSEWSIAOEJP-YJBOKZPZSA-N 1 2 342.443 1.364 20 30 EDEDLO COC(=O)c1ccc(OC)c(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000878771828 597707216 /nfs/dbraw/zinc/70/72/16/597707216.db2.gz WXUVZWLBRCNQLM-OKILXGFUSA-N 1 2 331.416 1.900 20 30 EDEDLO COC(=O)c1ccc(OC)c(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000878771828 597707219 /nfs/dbraw/zinc/70/72/19/597707219.db2.gz WXUVZWLBRCNQLM-OKILXGFUSA-N 1 2 331.416 1.900 20 30 EDEDLO N#Cc1cnc(NCC[N@@H+]2CCCOCC2)c(Br)c1 ZINC000882235630 597909191 /nfs/dbraw/zinc/90/91/91/597909191.db2.gz UEBFJLMISNQQRU-UHFFFAOYSA-N 1 2 325.210 1.850 20 30 EDEDLO N#Cc1cnc(NCC[N@H+]2CCCOCC2)c(Br)c1 ZINC000882235630 597909192 /nfs/dbraw/zinc/90/91/92/597909192.db2.gz UEBFJLMISNQQRU-UHFFFAOYSA-N 1 2 325.210 1.850 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1c[nH]c2c1cccc2CC ZINC000884130571 598003803 /nfs/dbraw/zinc/00/38/03/598003803.db2.gz NTXMAISSJWJGGG-INIZCTEOSA-N 1 2 343.427 1.836 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](OC)c1cccc(Cl)c1 ZINC000884158208 598010459 /nfs/dbraw/zinc/01/04/59/598010459.db2.gz UIBXTCHBRURXIY-UONOGXRCSA-N 1 2 340.807 1.590 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(OC(F)F)c(OC)c1 ZINC000884415117 598098228 /nfs/dbraw/zinc/09/82/28/598098228.db2.gz LULYGZAQYKGRPY-JTQLQIEISA-N 1 2 344.314 1.682 20 30 EDEDLO C=CCOCCCC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060463323 695239906 /nfs/dbraw/zinc/23/99/06/695239906.db2.gz SWGZZSZEFQDVQX-OAHLLOKOSA-N 1 2 348.447 1.290 20 30 EDEDLO C[C@@H]1CO[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001031858273 700002244 /nfs/dbraw/zinc/00/22/44/700002244.db2.gz UNSOAELSDAQOQS-KBXCAEBGSA-N 1 2 330.403 1.650 20 30 EDEDLO C[C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CCN1CC#N ZINC000948061042 695777885 /nfs/dbraw/zinc/77/78/85/695777885.db2.gz NXTANCLITGTHPE-HIFRSBDPSA-N 1 2 332.473 1.599 20 30 EDEDLO C[C@@H]1C[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)CCN1CC#N ZINC000948061042 695777886 /nfs/dbraw/zinc/77/78/86/695777886.db2.gz NXTANCLITGTHPE-HIFRSBDPSA-N 1 2 332.473 1.599 20 30 EDEDLO Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)nn1C ZINC000993211563 695810191 /nfs/dbraw/zinc/81/01/91/695810191.db2.gz XUCDDJYHAIRJGJ-CJNGLKHVSA-N 1 2 340.431 1.711 20 30 EDEDLO Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)nn1C ZINC000993211563 695810192 /nfs/dbraw/zinc/81/01/92/695810192.db2.gz XUCDDJYHAIRJGJ-CJNGLKHVSA-N 1 2 340.431 1.711 20 30 EDEDLO CCn1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1 ZINC000993237325 695867037 /nfs/dbraw/zinc/86/70/37/695867037.db2.gz QLQMILFECOBRPV-CZUORRHYSA-N 1 2 340.431 1.886 20 30 EDEDLO CCn1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(C#N)[nH]3)[C@H]2C)n1 ZINC000993237325 695867038 /nfs/dbraw/zinc/86/70/38/695867038.db2.gz QLQMILFECOBRPV-CZUORRHYSA-N 1 2 340.431 1.886 20 30 EDEDLO C[C@H]1CO[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001031860974 700034722 /nfs/dbraw/zinc/03/47/22/700034722.db2.gz XCHBZZYOUZKMFG-PXAZEXFGSA-N 1 2 331.391 1.670 20 30 EDEDLO C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1)n1cc[nH+]c1 ZINC000939934267 700050222 /nfs/dbraw/zinc/05/02/22/700050222.db2.gz MXIDMRXGRYQKPC-GXTWGEPZSA-N 1 2 340.387 1.065 20 30 EDEDLO N#Cc1ccc(NC2CCC(NC(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC001060597641 696202786 /nfs/dbraw/zinc/20/27/86/696202786.db2.gz TVGZTHYFYZPCTF-UHFFFAOYSA-N 1 2 325.376 1.084 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)Cc2cn(CC)nn2)[C@@H]1C ZINC000993630186 696292626 /nfs/dbraw/zinc/29/26/26/696292626.db2.gz KLYIYDTZVFNBCT-JSGCOSHPSA-N 1 2 325.844 1.562 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)Cc2cn(CC)nn2)[C@@H]1C ZINC000993630186 696292627 /nfs/dbraw/zinc/29/26/27/696292627.db2.gz KLYIYDTZVFNBCT-JSGCOSHPSA-N 1 2 325.844 1.562 20 30 EDEDLO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@H]1C ZINC000993929370 696448523 /nfs/dbraw/zinc/44/85/23/696448523.db2.gz PLJKMXVIYVKMEL-OLZOCXBDSA-N 1 2 340.445 1.842 20 30 EDEDLO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@H]1C ZINC000993929370 696448524 /nfs/dbraw/zinc/44/85/24/696448524.db2.gz PLJKMXVIYVKMEL-OLZOCXBDSA-N 1 2 340.445 1.842 20 30 EDEDLO Cc1cccn2cc(CC(=O)N[C@H]3CCCN(CC#N)[C@@H]3C)[nH+]c12 ZINC000994013453 696492261 /nfs/dbraw/zinc/49/22/61/696492261.db2.gz WVDVPDITNPBEJT-ZBFHGGJFSA-N 1 2 325.416 1.678 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cnc(C)nc3)[C@@H]2C)nc1 ZINC000994255810 696660620 /nfs/dbraw/zinc/66/06/20/696660620.db2.gz QWFUDRQGDBVKBM-RDTXWAMCSA-N 1 2 349.438 1.944 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnc(C)nc3)[C@@H]2C)nc1 ZINC000994255810 696660622 /nfs/dbraw/zinc/66/06/22/696660622.db2.gz QWFUDRQGDBVKBM-RDTXWAMCSA-N 1 2 349.438 1.944 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H]1C ZINC000994518841 696999179 /nfs/dbraw/zinc/99/91/79/696999179.db2.gz MOVMMUDMRZBESE-YPMHNXCESA-N 1 2 336.823 1.516 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H]1C ZINC000994518841 696999181 /nfs/dbraw/zinc/99/91/81/696999181.db2.gz MOVMMUDMRZBESE-YPMHNXCESA-N 1 2 336.823 1.516 20 30 EDEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001060722444 697201367 /nfs/dbraw/zinc/20/13/67/697201367.db2.gz WMJSWXHYESVPJG-IHRRRGAJSA-N 1 2 331.420 1.293 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000994630528 697346620 /nfs/dbraw/zinc/34/66/20/697346620.db2.gz RFCLXCLZZBERGL-GFCCVEGCSA-N 1 2 330.432 1.362 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000994630528 697346623 /nfs/dbraw/zinc/34/66/23/697346623.db2.gz RFCLXCLZZBERGL-GFCCVEGCSA-N 1 2 330.432 1.362 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031661907 697436712 /nfs/dbraw/zinc/43/67/12/697436712.db2.gz MSPWRNNNXNEYFS-HZPDHXFCSA-N 1 2 347.802 1.405 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001015807232 697510247 /nfs/dbraw/zinc/51/02/47/697510247.db2.gz RTMQMFRCNRMFRO-KGLIPLIRSA-N 1 2 325.840 1.330 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001015807232 697510248 /nfs/dbraw/zinc/51/02/48/697510248.db2.gz RTMQMFRCNRMFRO-KGLIPLIRSA-N 1 2 325.840 1.330 20 30 EDEDLO C=CCn1cccc1C(=O)NCC1C[NH+](Cc2cc(C)ncn2)C1 ZINC001031733043 698194837 /nfs/dbraw/zinc/19/48/37/698194837.db2.gz KBKKPSSNFHNNBP-UHFFFAOYSA-N 1 2 325.416 1.634 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC000943368240 698203830 /nfs/dbraw/zinc/20/38/30/698203830.db2.gz ODXJIDSRRQZJMU-KGLIPLIRSA-N 1 2 339.399 1.605 20 30 EDEDLO N#Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)c[nH]1 ZINC000943682661 698701868 /nfs/dbraw/zinc/70/18/68/698701868.db2.gz DBFPNKOKRJPCLE-JOCQHMNTSA-N 1 2 340.387 1.009 20 30 EDEDLO Cc1conc1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001032107400 698898762 /nfs/dbraw/zinc/89/87/62/698898762.db2.gz GJABNGBAGAQMSZ-UHFFFAOYSA-N 1 2 327.359 1.835 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)C1 ZINC000941480835 701553382 /nfs/dbraw/zinc/55/33/82/701553382.db2.gz PQTMXLKCILBRPD-UHFFFAOYSA-N 1 2 349.438 1.152 20 30 EDEDLO C=C1CC(C)(C(=O)N(C)[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000938940667 698974790 /nfs/dbraw/zinc/97/47/90/698974790.db2.gz MGKIUYUZBBZLKB-HNNXBMFYSA-N 1 2 330.432 1.689 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000938994208 699043579 /nfs/dbraw/zinc/04/35/79/699043579.db2.gz NXIHOWFKSVCPIM-KRWDZBQOSA-N 1 2 336.395 1.238 20 30 EDEDLO C[C@@H]1COCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031960686 701580261 /nfs/dbraw/zinc/58/02/61/701580261.db2.gz NNGNCIUSLCMZTQ-KDOFPFPSSA-N 1 2 327.428 1.779 20 30 EDEDLO C[C@H]1COCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001031960414 701584884 /nfs/dbraw/zinc/58/48/84/701584884.db2.gz LCYRNKULCRIMGR-GUYCJALGSA-N 1 2 345.418 1.918 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)Cc3cccc(F)c3F)CC2)C1 ZINC000941585710 701590506 /nfs/dbraw/zinc/59/05/06/701590506.db2.gz PADYZPULBGMTEJ-UHFFFAOYSA-N 1 2 347.409 1.359 20 30 EDEDLO C=C1CCC(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)CC1 ZINC000945503072 700379756 /nfs/dbraw/zinc/37/97/56/700379756.db2.gz UCRQQUAYTROKOY-NVXWUHKLSA-N 1 2 344.459 1.983 20 30 EDEDLO C[C@@H](C#N)C(=O)NC[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001060766782 700501266 /nfs/dbraw/zinc/50/12/66/700501266.db2.gz DUWNQIGYXCJZGA-KKUMJFAQSA-N 1 2 331.420 1.224 20 30 EDEDLO Cc1cnn(C)c1C(=O)NCC1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001031908510 700888860 /nfs/dbraw/zinc/88/88/60/700888860.db2.gz CWKWMYXLONEKPH-UHFFFAOYSA-N 1 2 340.402 1.581 20 30 EDEDLO O=C(C#CC1CC1)N1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000941004315 701047588 /nfs/dbraw/zinc/04/75/88/701047588.db2.gz XSEBCZOVULHMQG-OAHLLOKOSA-N 1 2 340.427 1.304 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000946004126 701355132 /nfs/dbraw/zinc/35/51/32/701355132.db2.gz YMCADACERWXGIW-JKSUJKDBSA-N 1 2 344.459 1.935 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000941214542 701401073 /nfs/dbraw/zinc/40/10/73/701401073.db2.gz WTLLZJSRJHMMSI-LSDHHAIUSA-N 1 2 342.443 1.519 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000941225725 701415738 /nfs/dbraw/zinc/41/57/38/701415738.db2.gz RNYPVUVKYYZICI-UONOGXRCSA-N 1 2 330.432 1.375 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCN(C2C[NH+]([C@H](C)c3ccccc3F)C2)CC1 ZINC000941338748 701477499 /nfs/dbraw/zinc/47/74/99/701477499.db2.gz HHMGLCOWUBZDOD-HUUCEWRRSA-N 1 2 344.434 1.875 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3sc(Cl)nc3C)CC2)C1 ZINC000941424724 701524479 /nfs/dbraw/zinc/52/44/79/701524479.db2.gz YOZXXSHZQNGVEK-UHFFFAOYSA-N 1 2 338.864 1.180 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3C(C)C)CC2)C1 ZINC000941430974 701537827 /nfs/dbraw/zinc/53/78/27/701537827.db2.gz GTJASESOHFGHIG-UHFFFAOYSA-N 1 2 325.456 1.885 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnn2cc[nH]c12 ZINC001032153706 701940983 /nfs/dbraw/zinc/94/09/83/701940983.db2.gz XVNXVRPTFVSEFJ-UHFFFAOYSA-N 1 2 333.395 1.376 20 30 EDEDLO CCc1nc[nH]c1C(=O)NCC1C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001032158911 701978086 /nfs/dbraw/zinc/97/80/86/701978086.db2.gz CDNOETOSPARWPX-UHFFFAOYSA-N 1 2 341.390 1.845 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@@H](C)C1 ZINC000942026384 702436427 /nfs/dbraw/zinc/43/64/27/702436427.db2.gz ZUUSQBMXTUBNBD-ONGXEEELSA-N 1 2 342.241 1.164 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)[C@@H](C)C1 ZINC000942026384 702436430 /nfs/dbraw/zinc/43/64/30/702436430.db2.gz ZUUSQBMXTUBNBD-ONGXEEELSA-N 1 2 342.241 1.164 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3coc(C)n3)C[C@H]2C)nc1 ZINC000944191672 702482512 /nfs/dbraw/zinc/48/25/12/702482512.db2.gz DCYYPYYZGHRWAI-CXAGYDPISA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3coc(C)n3)C[C@H]2C)nc1 ZINC000944191672 702482516 /nfs/dbraw/zinc/48/25/16/702482516.db2.gz DCYYPYYZGHRWAI-CXAGYDPISA-N 1 2 338.411 2.000 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)C[C@@H]2C)nc1 ZINC000944193606 702489940 /nfs/dbraw/zinc/48/99/40/702489940.db2.gz YAWJSOPOLMMYCP-WFASDCNBSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)C[C@@H]2C)nc1 ZINC000944193606 702489941 /nfs/dbraw/zinc/48/99/41/702489941.db2.gz YAWJSOPOLMMYCP-WFASDCNBSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnns3)C[C@@H]2C)cn1 ZINC000944213132 702540800 /nfs/dbraw/zinc/54/08/00/702540800.db2.gz AWBVLTORTANZMF-BLLLJJGKSA-N 1 2 341.440 1.555 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3cnns3)C[C@@H]2C)cn1 ZINC000944213132 702540805 /nfs/dbraw/zinc/54/08/05/702540805.db2.gz AWBVLTORTANZMF-BLLLJJGKSA-N 1 2 341.440 1.555 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(CC)no2)C(C)(C)C1 ZINC000996328799 702714230 /nfs/dbraw/zinc/71/42/30/702714230.db2.gz CUCLHRKCXZDKCU-RDBSUJKOSA-N 1 2 348.447 1.550 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@@H]3COCC[N@H+]3CCCC)C2)C1 ZINC000996331548 702715785 /nfs/dbraw/zinc/71/57/85/702715785.db2.gz NLAAWIDROAPVMW-INIZCTEOSA-N 1 2 349.475 1.171 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC(NC(=O)[C@@H]3COCC[N@@H+]3CCCC)C2)C1 ZINC000996331548 702715787 /nfs/dbraw/zinc/71/57/87/702715787.db2.gz NLAAWIDROAPVMW-INIZCTEOSA-N 1 2 349.475 1.171 20 30 EDEDLO N#Cc1ccc(F)c(C[NH+]2CC(CNC(=O)c3ccnnc3)C2)c1 ZINC001032003660 702727266 /nfs/dbraw/zinc/72/72/66/702727266.db2.gz CSBBWROSSBOZIE-UHFFFAOYSA-N 1 2 325.347 1.349 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H]([NH2+]Cc3csnn3)C(C)(C)C2)nc1 ZINC000996530123 702845930 /nfs/dbraw/zinc/84/59/30/702845930.db2.gz ZXLWKMDFOBCWJH-OAHLLOKOSA-N 1 2 341.440 1.555 20 30 EDEDLO C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC000942344881 702854524 /nfs/dbraw/zinc/85/45/24/702854524.db2.gz VNRJHABXWBOTNT-MRXNPFEDSA-N 1 2 344.459 1.816 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](Cc3nnc(C)o3)C[C@@H]2C)c1 ZINC000942617494 703131103 /nfs/dbraw/zinc/13/11/03/703131103.db2.gz PXKNGBWTRGXTHL-BLLLJJGKSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](Cc3nnc(C)o3)C[C@@H]2C)c1 ZINC000942617494 703131104 /nfs/dbraw/zinc/13/11/04/703131104.db2.gz PXKNGBWTRGXTHL-BLLLJJGKSA-N 1 2 339.399 1.395 20 30 EDEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)ncn1 ZINC001032358499 703215265 /nfs/dbraw/zinc/21/52/65/703215265.db2.gz BFJFNILXYIGPDR-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)ncn1 ZINC001032358499 703215267 /nfs/dbraw/zinc/21/52/67/703215267.db2.gz BFJFNILXYIGPDR-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C2CCOCC2)n1 ZINC001032404662 703424897 /nfs/dbraw/zinc/42/48/97/703424897.db2.gz RASVSEDLUYFDHR-HOTGVXAUSA-N 1 2 328.416 1.157 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C2CCOCC2)n1 ZINC001032404662 703424898 /nfs/dbraw/zinc/42/48/98/703424898.db2.gz RASVSEDLUYFDHR-HOTGVXAUSA-N 1 2 328.416 1.157 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCOC2)cc1C#N ZINC001038096123 703469823 /nfs/dbraw/zinc/46/98/23/703469823.db2.gz LVEDSACJYJSKNP-HOCLYGCPSA-N 1 2 329.400 1.294 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCOC2)cc1C#N ZINC001038096123 703469826 /nfs/dbraw/zinc/46/98/26/703469826.db2.gz LVEDSACJYJSKNP-HOCLYGCPSA-N 1 2 329.400 1.294 20 30 EDEDLO Cc1ncc(C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)c(C)n1 ZINC001032058813 703493452 /nfs/dbraw/zinc/49/34/52/703493452.db2.gz QYUGDJAAUWFJOF-UHFFFAOYSA-N 1 2 335.411 1.827 20 30 EDEDLO Cc1nn(C)cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032449522 703625574 /nfs/dbraw/zinc/62/55/74/703625574.db2.gz KLWLWDRQWOIHGC-PMACEKPBSA-N 1 2 348.450 1.608 20 30 EDEDLO Cc1nn(C)cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032449522 703625576 /nfs/dbraw/zinc/62/55/76/703625576.db2.gz KLWLWDRQWOIHGC-PMACEKPBSA-N 1 2 348.450 1.608 20 30 EDEDLO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032462146 703643460 /nfs/dbraw/zinc/64/34/60/703643460.db2.gz ILWGMCXCSPRLSZ-HOTGVXAUSA-N 1 2 336.395 1.374 20 30 EDEDLO Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032462146 703643462 /nfs/dbraw/zinc/64/34/62/703643462.db2.gz ILWGMCXCSPRLSZ-HOTGVXAUSA-N 1 2 336.395 1.374 20 30 EDEDLO C#CC[NH+]1CCC([C@@H](C)NC(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000997374737 703651519 /nfs/dbraw/zinc/65/15/19/703651519.db2.gz GZBKOEWTZBWERX-CQSZACIVSA-N 1 2 337.427 1.935 20 30 EDEDLO C#CCCCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864541 703776655 /nfs/dbraw/zinc/77/66/55/703776655.db2.gz TYTZTUILHFZZIE-WKILWMFISA-N 1 2 344.459 1.937 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1C(F)(F)F ZINC001032496634 703791283 /nfs/dbraw/zinc/79/12/83/703791283.db2.gz LIULIVKXUUGNJR-QWRGUYRKSA-N 1 2 326.322 1.361 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(C)c1C(F)(F)F ZINC001032496634 703791284 /nfs/dbraw/zinc/79/12/84/703791284.db2.gz LIULIVKXUUGNJR-QWRGUYRKSA-N 1 2 326.322 1.361 20 30 EDEDLO C#Cc1cncc(C(=O)N2CC(NC(=O)c3c(C)cc(C)[nH+]c3C)C2)c1 ZINC000997555836 703828304 /nfs/dbraw/zinc/82/83/04/703828304.db2.gz GLOZJBXOOCDHAK-UHFFFAOYSA-N 1 2 348.406 1.638 20 30 EDEDLO CCOc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C)C#N)CC2(C)C)s1 ZINC000995564908 703997645 /nfs/dbraw/zinc/99/76/45/703997645.db2.gz RLQLUZXBHAHQDX-GHMZBOCLSA-N 1 2 337.449 1.423 20 30 EDEDLO CN(C)c1ccc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)nc1 ZINC001032214143 704003836 /nfs/dbraw/zinc/00/38/36/704003836.db2.gz RJTSNKCOOXNOHK-UHFFFAOYSA-N 1 2 348.450 1.861 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001033087531 704161322 /nfs/dbraw/zinc/16/13/22/704161322.db2.gz VRRDWKKKWGPHNK-IMJJTQAJSA-N 1 2 349.431 1.697 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001033087531 704161324 /nfs/dbraw/zinc/16/13/24/704161324.db2.gz VRRDWKKKWGPHNK-IMJJTQAJSA-N 1 2 349.431 1.697 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn(C3CCC3)nn2)CC1 ZINC001004435472 704409854 /nfs/dbraw/zinc/40/98/54/704409854.db2.gz BHTQWVULDNSXOF-QGZVFWFLSA-N 1 2 342.447 1.843 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cn(C3CCC3)nn2)CC1 ZINC001004435472 704409856 /nfs/dbraw/zinc/40/98/56/704409856.db2.gz BHTQWVULDNSXOF-QGZVFWFLSA-N 1 2 342.447 1.843 20 30 EDEDLO Cn1ccc(CCC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004444885 704427392 /nfs/dbraw/zinc/42/73/92/704427392.db2.gz BTHRERCPHLJFLJ-QGZVFWFLSA-N 1 2 329.448 1.579 20 30 EDEDLO Cn1ccc(CCC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004444885 704427393 /nfs/dbraw/zinc/42/73/93/704427393.db2.gz BTHRERCPHLJFLJ-QGZVFWFLSA-N 1 2 329.448 1.579 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3n2CCC3)CC1 ZINC001004459781 704453517 /nfs/dbraw/zinc/45/35/17/704453517.db2.gz WRYIIRTUGRFPKM-OAHLLOKOSA-N 1 2 327.432 1.669 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cnc3n2CCC3)CC1 ZINC001004459781 704453518 /nfs/dbraw/zinc/45/35/18/704453518.db2.gz WRYIIRTUGRFPKM-OAHLLOKOSA-N 1 2 327.432 1.669 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC001032550443 704687466 /nfs/dbraw/zinc/68/74/66/704687466.db2.gz RIHACLAMLTWXHV-PMPSAXMXSA-N 1 2 328.412 1.771 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Oc1ccc(OC)cc1 ZINC001032550443 704687468 /nfs/dbraw/zinc/68/74/68/704687468.db2.gz RIHACLAMLTWXHV-PMPSAXMXSA-N 1 2 328.412 1.771 20 30 EDEDLO Cn1ncc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)c1N ZINC001007174535 704693501 /nfs/dbraw/zinc/69/35/01/704693501.db2.gz QYLRHTLYJAMABB-LLVKDONJSA-N 1 2 344.444 1.330 20 30 EDEDLO Cn1ncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)c1N ZINC001007174535 704693502 /nfs/dbraw/zinc/69/35/02/704693502.db2.gz QYLRHTLYJAMABB-LLVKDONJSA-N 1 2 344.444 1.330 20 30 EDEDLO Cc1nc[nH]c1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001032231231 704993626 /nfs/dbraw/zinc/99/36/26/704993626.db2.gz IDZKTQDWHULOFD-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCN(CC(F)F)CC1 ZINC001032590360 705175224 /nfs/dbraw/zinc/17/52/24/705175224.db2.gz ZUSRMLSSROEGDV-GJZGRUSLSA-N 1 2 325.403 1.272 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCN(CC(F)F)CC1 ZINC001032590360 705175227 /nfs/dbraw/zinc/17/52/27/705175227.db2.gz ZUSRMLSSROEGDV-GJZGRUSLSA-N 1 2 325.403 1.272 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCn2c(C)csc2=O)C1 ZINC001032614246 705611547 /nfs/dbraw/zinc/61/15/47/705611547.db2.gz LBPWFUMTEOKYNS-GJZGRUSLSA-N 1 2 347.484 1.860 20 30 EDEDLO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCn2c(C)csc2=O)C1 ZINC001032614246 705611549 /nfs/dbraw/zinc/61/15/49/705611549.db2.gz LBPWFUMTEOKYNS-GJZGRUSLSA-N 1 2 347.484 1.860 20 30 EDEDLO CCc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC000998848589 706276378 /nfs/dbraw/zinc/27/63/78/706276378.db2.gz HIWDIHUTJCIDAW-DGCLKSJQSA-N 1 2 342.403 1.787 20 30 EDEDLO CC(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC000998969301 706390072 /nfs/dbraw/zinc/39/00/72/706390072.db2.gz KSUQDHVKWFGENV-ZDUSSCGKSA-N 1 2 342.403 1.787 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000999359439 706849624 /nfs/dbraw/zinc/84/96/24/706849624.db2.gz XVTQTHPBQAVBJE-CYBMUJFWSA-N 1 2 330.432 1.759 20 30 EDEDLO CC(C)(C(=O)N1CC[C@@H](CNc2nccnc2C#N)C1)c1c[nH+]c[nH]1 ZINC001060894740 707643778 /nfs/dbraw/zinc/64/37/78/707643778.db2.gz PSSRUCSKFUOFGF-LBPRGKRZSA-N 1 2 339.403 1.310 20 30 EDEDLO CN(C(=O)[C@]1(F)CCOC1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033369197 707701657 /nfs/dbraw/zinc/70/16/57/707701657.db2.gz LXBJHLCQWURUNY-QAPCUYQASA-N 1 2 349.381 1.859 20 30 EDEDLO CN(C(=O)[C@]1(F)CCOC1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033369197 707701662 /nfs/dbraw/zinc/70/16/62/707701662.db2.gz LXBJHLCQWURUNY-QAPCUYQASA-N 1 2 349.381 1.859 20 30 EDEDLO CCn1cc(C[NH+]2CCC(N(C)C(=O)c3cc(C#N)c[nH]3)CC2)nn1 ZINC001005217851 708275845 /nfs/dbraw/zinc/27/58/45/708275845.db2.gz AQJUPFYYAJPPRC-UHFFFAOYSA-N 1 2 341.419 1.234 20 30 EDEDLO C=C1CCC(C(=O)NCC2CC[NH+]([C@@H](C)c3nnnn3C)CC2)CC1 ZINC001001799004 708312978 /nfs/dbraw/zinc/31/29/78/708312978.db2.gz YFULRRGERNEFNK-AWEZNQCLSA-N 1 2 346.479 1.846 20 30 EDEDLO C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001061678337 708415130 /nfs/dbraw/zinc/41/51/30/708415130.db2.gz RRXVHWRHEDHDHL-RRFJBIMHSA-N 1 2 346.431 1.213 20 30 EDEDLO C=CCCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001061678337 708415131 /nfs/dbraw/zinc/41/51/31/708415131.db2.gz RRXVHWRHEDHDHL-RRFJBIMHSA-N 1 2 346.431 1.213 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001033673009 708465695 /nfs/dbraw/zinc/46/56/95/708465695.db2.gz VCVOXALSGAEOHS-ZDUSSCGKSA-N 1 2 337.855 1.520 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2nc(C3CC3)nn2C)C1 ZINC001033673009 708465696 /nfs/dbraw/zinc/46/56/96/708465696.db2.gz VCVOXALSGAEOHS-ZDUSSCGKSA-N 1 2 337.855 1.520 20 30 EDEDLO C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001061681987 708505953 /nfs/dbraw/zinc/50/59/53/708505953.db2.gz AYTROTPKEFGKAU-INIZCTEOSA-N 1 2 348.447 1.363 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033707386 708539802 /nfs/dbraw/zinc/53/98/02/708539802.db2.gz ZMKAJCQMMHYXKG-OAHLLOKOSA-N 1 2 325.372 1.596 20 30 EDEDLO Cc1nonc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033707386 708539804 /nfs/dbraw/zinc/53/98/04/708539804.db2.gz ZMKAJCQMMHYXKG-OAHLLOKOSA-N 1 2 325.372 1.596 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001033880288 708976759 /nfs/dbraw/zinc/97/67/59/708976759.db2.gz KTQNREYIMSZGJP-UONOGXRCSA-N 1 2 327.856 1.530 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001033880288 708976763 /nfs/dbraw/zinc/97/67/63/708976763.db2.gz KTQNREYIMSZGJP-UONOGXRCSA-N 1 2 327.856 1.530 20 30 EDEDLO CCn1ccnc1C[NH+]1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001002552001 709099185 /nfs/dbraw/zinc/09/91/85/709099185.db2.gz SOSLCNBQEJKZCA-UHFFFAOYSA-N 1 2 326.404 1.497 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001033940461 709146444 /nfs/dbraw/zinc/14/64/44/709146444.db2.gz MJOSFORLKFXCRI-OLZOCXBDSA-N 1 2 337.855 1.900 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001033940461 709146445 /nfs/dbraw/zinc/14/64/45/709146445.db2.gz MJOSFORLKFXCRI-OLZOCXBDSA-N 1 2 337.855 1.900 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001034010137 709221868 /nfs/dbraw/zinc/22/18/68/709221868.db2.gz UMDSQIIJHXPNFQ-LSDHHAIUSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCN(C(=O)CC)C2)C1 ZINC001034010137 709221872 /nfs/dbraw/zinc/22/18/72/709221872.db2.gz UMDSQIIJHXPNFQ-LSDHHAIUSA-N 1 2 341.883 1.920 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001034060248 709310943 /nfs/dbraw/zinc/31/09/43/709310943.db2.gz ORFYDOPQXIQKEJ-ZDUSSCGKSA-N 1 2 336.823 1.469 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001034060248 709310946 /nfs/dbraw/zinc/31/09/46/709310946.db2.gz ORFYDOPQXIQKEJ-ZDUSSCGKSA-N 1 2 336.823 1.469 20 30 EDEDLO C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001034124765 709359651 /nfs/dbraw/zinc/35/96/51/709359651.db2.gz WYUSFWNMYSEKCU-QWHCGFSZSA-N 1 2 331.254 1.902 20 30 EDEDLO C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001034124765 709359654 /nfs/dbraw/zinc/35/96/54/709359654.db2.gz WYUSFWNMYSEKCU-QWHCGFSZSA-N 1 2 331.254 1.902 20 30 EDEDLO Cc1noc([C@H](C)[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034164737 709438212 /nfs/dbraw/zinc/43/82/12/709438212.db2.gz RRMIDUJTRYHPRZ-SMDDNHRTSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1noc([C@H](C)[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034164737 709438214 /nfs/dbraw/zinc/43/82/14/709438214.db2.gz RRMIDUJTRYHPRZ-SMDDNHRTSA-N 1 2 342.403 1.923 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](N(C)c2cncc(C#N)n2)C1 ZINC001061223851 709782132 /nfs/dbraw/zinc/78/21/32/709782132.db2.gz PSJUFZSEKDIBSV-AWEZNQCLSA-N 1 2 339.403 1.050 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](N(C)c2ccc(C#N)nn2)C1 ZINC001061220699 709786441 /nfs/dbraw/zinc/78/64/41/709786441.db2.gz KJZLNDAKQJCJEM-AWEZNQCLSA-N 1 2 339.403 1.050 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cnon3)C2)c(F)c1 ZINC001034451689 710056728 /nfs/dbraw/zinc/05/67/28/710056728.db2.gz VTFMBWDWGCZAIP-CQSZACIVSA-N 1 2 343.362 1.865 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)c3cnon3)C2)c(F)c1 ZINC001034451689 710056734 /nfs/dbraw/zinc/05/67/34/710056734.db2.gz VTFMBWDWGCZAIP-CQSZACIVSA-N 1 2 343.362 1.865 20 30 EDEDLO O=C(Cc1nnc[nH]1)N[C@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC001034480752 710093547 /nfs/dbraw/zinc/09/35/47/710093547.db2.gz NLEINOLMNKEOJX-KRWDZBQOSA-N 1 2 337.427 1.370 20 30 EDEDLO O=C(Cc1nnc[nH]1)N[C@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001034480752 710093552 /nfs/dbraw/zinc/09/35/52/710093552.db2.gz NLEINOLMNKEOJX-KRWDZBQOSA-N 1 2 337.427 1.370 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2nccc(C)n2)CC1 ZINC001003649070 710472024 /nfs/dbraw/zinc/47/20/24/710472024.db2.gz FKACJTJANMYRMR-CVEARBPZSA-N 1 2 330.432 1.457 20 30 EDEDLO N#Cc1cnccc1N1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001061770890 710609051 /nfs/dbraw/zinc/60/90/51/710609051.db2.gz PAQBRKOMNGNIJO-NWANDNLSSA-N 1 2 336.399 1.423 20 30 EDEDLO N#Cc1cnccc1N1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001061770890 710609055 /nfs/dbraw/zinc/60/90/55/710609055.db2.gz PAQBRKOMNGNIJO-NWANDNLSSA-N 1 2 336.399 1.423 20 30 EDEDLO N#Cc1cncc(N2CC[C@H](CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC001061773535 710657110 /nfs/dbraw/zinc/65/71/10/710657110.db2.gz FJKXQDARGIWJHZ-GFCCVEGCSA-N 1 2 347.382 1.481 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001032938453 710876147 /nfs/dbraw/zinc/87/61/47/710876147.db2.gz RPFWBHWTFJVMOT-ZDUSSCGKSA-N 1 2 341.253 1.633 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc(C)cn2)C1 ZINC001032938453 710876149 /nfs/dbraw/zinc/87/61/49/710876149.db2.gz RPFWBHWTFJVMOT-ZDUSSCGKSA-N 1 2 341.253 1.633 20 30 EDEDLO C[C@@]1(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)CCNC(=O)C1 ZINC001004473811 711850556 /nfs/dbraw/zinc/85/05/56/711850556.db2.gz LWRLDXSBKSEZBP-CRAIPNDOSA-N 1 2 332.448 1.129 20 30 EDEDLO C[C@@]1(C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)CCNC(=O)C1 ZINC001004473811 711850558 /nfs/dbraw/zinc/85/05/58/711850558.db2.gz LWRLDXSBKSEZBP-CRAIPNDOSA-N 1 2 332.448 1.129 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 ZINC001004484800 711864163 /nfs/dbraw/zinc/86/41/63/711864163.db2.gz MILLKYDEBPRXCT-CYBMUJFWSA-N 1 2 330.388 1.219 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccc(C(N)=O)o2)CC1 ZINC001004484800 711864164 /nfs/dbraw/zinc/86/41/64/711864164.db2.gz MILLKYDEBPRXCT-CYBMUJFWSA-N 1 2 330.388 1.219 20 30 EDEDLO COCCn1ccc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004485249 711864699 /nfs/dbraw/zinc/86/46/99/711864699.db2.gz OOLUNOYDFFACDF-KRWDZBQOSA-N 1 2 345.447 1.370 20 30 EDEDLO COCCn1ccc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004485249 711864700 /nfs/dbraw/zinc/86/47/00/711864700.db2.gz OOLUNOYDFFACDF-KRWDZBQOSA-N 1 2 345.447 1.370 20 30 EDEDLO COc1ccc(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)nc1 ZINC001004523636 711924042 /nfs/dbraw/zinc/92/40/42/711924042.db2.gz SSRBNJKCYQFSFV-SFHVURJKSA-N 1 2 342.443 1.859 20 30 EDEDLO COc1ccc(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)nc1 ZINC001004523636 711924045 /nfs/dbraw/zinc/92/40/45/711924045.db2.gz SSRBNJKCYQFSFV-SFHVURJKSA-N 1 2 342.443 1.859 20 30 EDEDLO Cn1cc(CCC(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)cn1 ZINC001004622669 712069349 /nfs/dbraw/zinc/06/93/49/712069349.db2.gz XYBCRAQFMWKUJJ-QGZVFWFLSA-N 1 2 329.448 1.579 20 30 EDEDLO Cn1cc(CCC(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)cn1 ZINC001004622669 712069352 /nfs/dbraw/zinc/06/93/52/712069352.db2.gz XYBCRAQFMWKUJJ-QGZVFWFLSA-N 1 2 329.448 1.579 20 30 EDEDLO CC(=O)N1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004627264 712085246 /nfs/dbraw/zinc/08/52/46/712085246.db2.gz YCVITYTXLHULAX-DLBZAZTESA-N 1 2 332.448 1.224 20 30 EDEDLO CC(=O)N1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001004627264 712085247 /nfs/dbraw/zinc/08/52/47/712085247.db2.gz YCVITYTXLHULAX-DLBZAZTESA-N 1 2 332.448 1.224 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000328733915 539359355 /nfs/dbraw/zinc/35/93/55/539359355.db2.gz ICOJKDOZTXTEAH-UHFFFAOYSA-N 1 2 342.447 1.838 20 30 EDEDLO O=C(Nc1nccn1-c1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000328754308 539362098 /nfs/dbraw/zinc/36/20/98/539362098.db2.gz SGBPKUXMDCOIFJ-MRXNPFEDSA-N 1 2 341.415 1.824 20 30 EDEDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000175121421 529903676 /nfs/dbraw/zinc/90/36/76/529903676.db2.gz ZPBJWGBICJSSMS-KRWDZBQOSA-N 1 2 342.443 1.761 20 30 EDEDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000175121421 529903677 /nfs/dbraw/zinc/90/36/77/529903677.db2.gz ZPBJWGBICJSSMS-KRWDZBQOSA-N 1 2 342.443 1.761 20 30 EDEDLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000101543808 219134169 /nfs/dbraw/zinc/13/41/69/219134169.db2.gz BXQPYXHKIDSGNZ-MRXNPFEDSA-N 1 2 343.475 1.968 20 30 EDEDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC(=O)N3C)c[nH+]2)C[C@H](C)O1 ZINC000329248689 539422644 /nfs/dbraw/zinc/42/26/44/539422644.db2.gz SPVLMTDXRODTQL-GUTXKFCHSA-N 1 2 346.431 1.773 20 30 EDEDLO C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329749441 539462361 /nfs/dbraw/zinc/46/23/61/539462361.db2.gz UGXWGXLXKKDOBK-HOCLYGCPSA-N 1 2 331.416 1.313 20 30 EDEDLO [O-]C(=[NH+]C[C@@H]1CCN(CC(F)(F)F)C1)N1CCn2cc[nH+]c2C1 ZINC000329863642 539471115 /nfs/dbraw/zinc/47/11/15/539471115.db2.gz ZGWXXDKZVJHHPF-NSHDSACASA-N 1 2 331.342 1.497 20 30 EDEDLO N#Cc1ccnc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000562265667 306293494 /nfs/dbraw/zinc/29/34/94/306293494.db2.gz CYSJHDYAGMIFPF-UHFFFAOYSA-N 1 2 335.411 1.505 20 30 EDEDLO N#Cc1cc(Br)cnc1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000336831086 283087822 /nfs/dbraw/zinc/08/78/22/283087822.db2.gz CPBLUUNZSAZEIF-CYBMUJFWSA-N 1 2 337.221 1.627 20 30 EDEDLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000563434941 306333095 /nfs/dbraw/zinc/33/30/95/306333095.db2.gz WOEHLWVVMOXIDL-AWEZNQCLSA-N 1 2 349.456 1.432 20 30 EDEDLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000563434941 306333096 /nfs/dbraw/zinc/33/30/96/306333096.db2.gz WOEHLWVVMOXIDL-AWEZNQCLSA-N 1 2 349.456 1.432 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCN4C(=O)OCC[C@@H]4C3)C2=O)cc1 ZINC000494133405 283165035 /nfs/dbraw/zinc/16/50/35/283165035.db2.gz MFCKIWUCHSJGLG-HZPDHXFCSA-N 1 2 340.383 1.190 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCN4C(=O)OCC[C@@H]4C3)C2=O)cc1 ZINC000494133405 283165040 /nfs/dbraw/zinc/16/50/40/283165040.db2.gz MFCKIWUCHSJGLG-HZPDHXFCSA-N 1 2 340.383 1.190 20 30 EDEDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cccc(C)c1C#N)C2 ZINC000090168726 138277957 /nfs/dbraw/zinc/27/79/57/138277957.db2.gz XKOJHLAKROEQQD-ZDUSSCGKSA-N 1 2 330.413 1.665 20 30 EDEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1 ZINC000106799040 138303586 /nfs/dbraw/zinc/30/35/86/138303586.db2.gz BZAKQWHNKXAUAS-IBGZPJMESA-N 1 2 340.471 1.729 20 30 EDEDLO Cc1cc(Br)ccc1NC(=O)CO[NH+]=C(N)CCO ZINC000136065260 237253431 /nfs/dbraw/zinc/25/34/31/237253431.db2.gz LKIFMFYRGJOIMV-UHFFFAOYSA-N 1 2 330.182 1.367 20 30 EDEDLO N#CCCN(CCc1ccc2c(c1)CCO2)CC[NH+]1CCOCC1 ZINC000176265974 237331534 /nfs/dbraw/zinc/33/15/34/237331534.db2.gz DWODOWBQTMTJIY-UHFFFAOYSA-N 1 2 329.444 1.712 20 30 EDEDLO N#CCC[N@@H+](CCc1ccc2c(c1)CCO2)CCN1CCOCC1 ZINC000176265974 237331541 /nfs/dbraw/zinc/33/15/41/237331541.db2.gz DWODOWBQTMTJIY-UHFFFAOYSA-N 1 2 329.444 1.712 20 30 EDEDLO N#CCC[N@H+](CCc1ccc2c(c1)CCO2)CCN1CCOCC1 ZINC000176265974 237331550 /nfs/dbraw/zinc/33/15/50/237331550.db2.gz DWODOWBQTMTJIY-UHFFFAOYSA-N 1 2 329.444 1.712 20 30 EDEDLO C=CC[NH+](CC=C)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000072938951 216329692 /nfs/dbraw/zinc/32/96/92/216329692.db2.gz JUHDKQXZILZXPM-UHFFFAOYSA-N 1 2 337.445 1.563 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081048949 217355045 /nfs/dbraw/zinc/35/50/45/217355045.db2.gz HKKPCXHQFIFNPO-QMTHXVAHSA-N 1 2 327.306 1.884 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081048949 217355047 /nfs/dbraw/zinc/35/50/47/217355047.db2.gz HKKPCXHQFIFNPO-QMTHXVAHSA-N 1 2 327.306 1.884 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ccc(F)c(OC)c3)CC2)C1=O ZINC000282763626 249545430 /nfs/dbraw/zinc/54/54/30/249545430.db2.gz LDUZKLUEXOZGIC-INIZCTEOSA-N 1 2 333.407 1.743 20 30 EDEDLO CN1C(=O)c2ccc(NC(=O)C[NH2+][C@@H]3CCC[C@@H]3C#N)cc2C1=O ZINC000333678651 249945274 /nfs/dbraw/zinc/94/52/74/249945274.db2.gz ZKRZITFEAQMLRP-QMTHXVAHSA-N 1 2 326.356 1.133 20 30 EDEDLO COCC1(C#N)CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000341981027 250004211 /nfs/dbraw/zinc/00/42/11/250004211.db2.gz QLFUNELHZUIDID-MRXNPFEDSA-N 1 2 343.427 1.358 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000345814676 250035518 /nfs/dbraw/zinc/03/55/18/250035518.db2.gz RZYUNYWRGSGTKM-CQSZACIVSA-N 1 2 338.415 1.026 20 30 EDEDLO COC(=O)c1cc(C(C)(C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)no1 ZINC000352007155 250069123 /nfs/dbraw/zinc/06/91/23/250069123.db2.gz LDUSGEVXDJZFKO-INIZCTEOSA-N 1 2 336.392 1.340 20 30 EDEDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000352126315 250073061 /nfs/dbraw/zinc/07/30/61/250073061.db2.gz RWYFEEWENWXBQM-UHFFFAOYSA-N 1 2 347.418 1.799 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2ccc(C#N)o2)CC1 ZINC000092964978 218182490 /nfs/dbraw/zinc/18/24/90/218182490.db2.gz WRVQQCOJJTZWAE-UHFFFAOYSA-N 1 2 333.388 1.385 20 30 EDEDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2ccc(C#N)o2)CC1 ZINC000092964978 218182493 /nfs/dbraw/zinc/18/24/93/218182493.db2.gz WRVQQCOJJTZWAE-UHFFFAOYSA-N 1 2 333.388 1.385 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000354532774 250091949 /nfs/dbraw/zinc/09/19/49/250091949.db2.gz WXFYSBKRQFDMER-UHFFFAOYSA-N 1 2 343.412 1.681 20 30 EDEDLO CN(C)S(=O)(=O)N(CC#N)Cc1c[nH+]cn1Cc1ccccc1 ZINC000352061510 250071100 /nfs/dbraw/zinc/07/11/00/250071100.db2.gz ONTXONSNINESPN-UHFFFAOYSA-N 1 2 333.417 1.063 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCNC(=O)N(C)C ZINC000355037242 250103621 /nfs/dbraw/zinc/10/36/21/250103621.db2.gz YIBZJMGMYGOJJT-OAHLLOKOSA-N 1 2 345.447 1.525 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCNC(=O)N(C)C ZINC000355037242 250103623 /nfs/dbraw/zinc/10/36/23/250103623.db2.gz YIBZJMGMYGOJJT-OAHLLOKOSA-N 1 2 345.447 1.525 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355134139 250106536 /nfs/dbraw/zinc/10/65/36/250106536.db2.gz XVLIFHJVORDNDR-UHFFFAOYSA-N 1 2 327.432 1.500 20 30 EDEDLO C=CCSCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000355291232 250110247 /nfs/dbraw/zinc/11/02/47/250110247.db2.gz OAWCXPFKKTUFHK-MRXNPFEDSA-N 1 2 347.484 1.537 20 30 EDEDLO C=CCSCCNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000355291232 250110251 /nfs/dbraw/zinc/11/02/51/250110251.db2.gz OAWCXPFKKTUFHK-MRXNPFEDSA-N 1 2 347.484 1.537 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)(C#N)CC1 ZINC000355669842 250119975 /nfs/dbraw/zinc/11/99/75/250119975.db2.gz IHCVIXNNVBBFAZ-OAHLLOKOSA-N 1 2 345.447 1.635 20 30 EDEDLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)(C#N)CC1 ZINC000355669842 250119978 /nfs/dbraw/zinc/11/99/78/250119978.db2.gz IHCVIXNNVBBFAZ-OAHLLOKOSA-N 1 2 345.447 1.635 20 30 EDEDLO N#CC1(F)CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000359351260 250151960 /nfs/dbraw/zinc/15/19/60/250151960.db2.gz OSVQTCWUBGXUEP-UHFFFAOYSA-N 1 2 331.391 1.987 20 30 EDEDLO C=C[C@@H](C)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000362369364 250181072 /nfs/dbraw/zinc/18/10/72/250181072.db2.gz FXQPAJDZINHRIA-CQSZACIVSA-N 1 2 330.432 1.963 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)N1CCC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000373226921 250235232 /nfs/dbraw/zinc/23/52/32/250235232.db2.gz DRTAKKYCFXKNCP-MRXNPFEDSA-N 1 2 338.496 1.973 20 30 EDEDLO C=CCCC[C@@H](C)NC(=O)N1CCC[N@H+](CC(=O)NC(C)C)CC1 ZINC000373226921 250235236 /nfs/dbraw/zinc/23/52/36/250235236.db2.gz DRTAKKYCFXKNCP-MRXNPFEDSA-N 1 2 338.496 1.973 20 30 EDEDLO C=CCCCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1 ZINC000373501031 250239812 /nfs/dbraw/zinc/23/98/12/250239812.db2.gz MPJFDBFNGGLQPM-QGZVFWFLSA-N 1 2 325.453 1.523 20 30 EDEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000375171483 250279371 /nfs/dbraw/zinc/27/93/71/250279371.db2.gz PMJJLDKRXMBXAP-QAPCUYQASA-N 1 2 346.431 1.691 20 30 EDEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000375171483 250279373 /nfs/dbraw/zinc/27/93/73/250279373.db2.gz PMJJLDKRXMBXAP-QAPCUYQASA-N 1 2 346.431 1.691 20 30 EDEDLO C=CCc1cc(C[N@H+]2CCOC[C@H]2CC(=O)OC)cc(OC)c1O ZINC000377827224 250294527 /nfs/dbraw/zinc/29/45/27/250294527.db2.gz UPHYJHXHQMARNQ-OAHLLOKOSA-N 1 2 335.400 1.893 20 30 EDEDLO C=CCc1cc(C[N@@H+]2CCOC[C@H]2CC(=O)OC)cc(OC)c1O ZINC000377827224 250294529 /nfs/dbraw/zinc/29/45/29/250294529.db2.gz UPHYJHXHQMARNQ-OAHLLOKOSA-N 1 2 335.400 1.893 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261610937 139210777 /nfs/dbraw/zinc/21/07/77/139210777.db2.gz BZEMMTXLELONCV-INIZCTEOSA-N 1 2 328.397 1.288 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3c(C)cccc32)CC1 ZINC000488426720 255043750 /nfs/dbraw/zinc/04/37/50/255043750.db2.gz DWBXMVMNUQFSSF-UHFFFAOYSA-N 1 2 325.416 1.362 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C(/C)c2ccccc2)CC1 ZINC000490616909 255094967 /nfs/dbraw/zinc/09/49/67/255094967.db2.gz MDRQLKLCLGXQGC-ICFOKQHNSA-N 1 2 339.439 1.374 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C(/C)c2ccccc2)CC1 ZINC000490616909 255094969 /nfs/dbraw/zinc/09/49/69/255094969.db2.gz MDRQLKLCLGXQGC-ICFOKQHNSA-N 1 2 339.439 1.374 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000491068968 255118155 /nfs/dbraw/zinc/11/81/55/255118155.db2.gz SMGZOKNBIFHJTJ-LBPRGKRZSA-N 1 2 349.381 1.753 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@H](c3ccccc3)OC[C@@H]2C)CC1 ZINC000490741494 255104428 /nfs/dbraw/zinc/10/44/28/255104428.db2.gz SCGWYVHPVGXZMB-PKOBYXMFSA-N 1 2 341.455 1.226 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccco3)n2C2CC2)CC1 ZINC000491670622 255138252 /nfs/dbraw/zinc/13/82/52/255138252.db2.gz DQTWWZUNNLQTFW-UHFFFAOYSA-N 1 2 325.416 1.746 20 30 EDEDLO C#CCN(C(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000491705129 255143880 /nfs/dbraw/zinc/14/38/80/255143880.db2.gz CHUDKSQXEZYESJ-UHFFFAOYSA-N 1 2 327.428 1.826 20 30 EDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000154926308 533196199 /nfs/dbraw/zinc/19/61/99/533196199.db2.gz QNORCQPAQNAPER-HNNXBMFYSA-N 1 2 340.427 1.327 20 30 EDEDLO CCOC(=O)N(C)C1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1 ZINC000495068692 255267885 /nfs/dbraw/zinc/26/78/85/255267885.db2.gz SIMRBCVCTGFXLZ-UHFFFAOYSA-N 1 2 332.404 1.539 20 30 EDEDLO CN1C[C@H](C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)OC1=O ZINC000496274108 255373456 /nfs/dbraw/zinc/37/34/56/255373456.db2.gz LAHQHFRWWDIRFJ-CYBMUJFWSA-N 1 2 334.807 1.784 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)cc1 ZINC000270168855 140054336 /nfs/dbraw/zinc/05/43/36/140054336.db2.gz WDOZLWWVMAKBJZ-KRWDZBQOSA-N 1 2 349.438 1.731 20 30 EDEDLO N#Cc1ccnc(N2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)c1 ZINC000270226340 140063041 /nfs/dbraw/zinc/06/30/41/140063041.db2.gz DJHOUHPJUWGTDF-UHFFFAOYSA-N 1 2 335.415 1.892 20 30 EDEDLO N#Cc1ccnc(N2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)c1 ZINC000270226340 140063043 /nfs/dbraw/zinc/06/30/43/140063043.db2.gz DJHOUHPJUWGTDF-UHFFFAOYSA-N 1 2 335.415 1.892 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3OC(F)F)CC[C@@H]21 ZINC000332570798 141205631 /nfs/dbraw/zinc/20/56/31/141205631.db2.gz DFTWDLMTVLUPEY-OLZOCXBDSA-N 1 2 336.342 1.758 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3OC(F)F)CC[C@@H]21 ZINC000332570798 141205633 /nfs/dbraw/zinc/20/56/33/141205633.db2.gz DFTWDLMTVLUPEY-OLZOCXBDSA-N 1 2 336.342 1.758 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H]1COC ZINC000339289814 142005387 /nfs/dbraw/zinc/00/53/87/142005387.db2.gz HVIKXSLEXUVPOH-OAHLLOKOSA-N 1 2 348.447 1.672 20 30 EDEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H]1COC ZINC000339289814 142005388 /nfs/dbraw/zinc/00/53/88/142005388.db2.gz HVIKXSLEXUVPOH-OAHLLOKOSA-N 1 2 348.447 1.672 20 30 EDEDLO N#Cc1ccncc1C(=O)N1C[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000345435465 143090859 /nfs/dbraw/zinc/09/08/59/143090859.db2.gz QKOIMKPDHPEVPJ-OALUTQOASA-N 1 2 348.406 1.679 20 30 EDEDLO N#Cc1ccncc1C(=O)N1C[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000345435465 143090860 /nfs/dbraw/zinc/09/08/60/143090860.db2.gz QKOIMKPDHPEVPJ-OALUTQOASA-N 1 2 348.406 1.679 20 30 EDEDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355094400 150113100 /nfs/dbraw/zinc/11/31/00/150113100.db2.gz GVSPNEKVQILXKP-AWEZNQCLSA-N 1 2 329.448 1.769 20 30 EDEDLO CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000355096142 150114435 /nfs/dbraw/zinc/11/44/35/150114435.db2.gz ACMJJRQWUNLYGH-HNNXBMFYSA-N 1 2 329.448 1.626 20 30 EDEDLO C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000355113315 150123033 /nfs/dbraw/zinc/12/30/33/150123033.db2.gz OBKYIGILDXCSGL-KFWWJZLASA-N 1 2 331.416 1.551 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1F ZINC000364471173 153247822 /nfs/dbraw/zinc/24/78/22/153247822.db2.gz FTEPLCNDZCJKBN-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1F ZINC000364471173 153247824 /nfs/dbraw/zinc/24/78/24/153247824.db2.gz FTEPLCNDZCJKBN-KRWDZBQOSA-N 1 2 331.391 1.911 20 30 EDEDLO Cc1cc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)C(=O)C2)cc[nH+]1 ZINC000367345867 154083258 /nfs/dbraw/zinc/08/32/58/154083258.db2.gz DUEOFJOQJOPHDR-UHFFFAOYSA-N 1 2 349.394 1.560 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@]3(CCCCO3)C2)nc1 ZINC000367376595 154095284 /nfs/dbraw/zinc/09/52/84/154095284.db2.gz BXNODIACGDHTRH-QGZVFWFLSA-N 1 2 349.456 1.762 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@]3(CCCCO3)C2)nc1 ZINC000367376595 154095287 /nfs/dbraw/zinc/09/52/87/154095287.db2.gz BXNODIACGDHTRH-QGZVFWFLSA-N 1 2 349.456 1.762 20 30 EDEDLO CC(C)[C@]1(CO)CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000368054434 154388542 /nfs/dbraw/zinc/38/85/42/154388542.db2.gz DBNZITGMFKVKTI-MRXNPFEDSA-N 1 2 337.445 1.067 20 30 EDEDLO CC(C)[C@]1(CO)CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000368054434 154388546 /nfs/dbraw/zinc/38/85/46/154388546.db2.gz DBNZITGMFKVKTI-MRXNPFEDSA-N 1 2 337.445 1.067 20 30 EDEDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)CC2 ZINC000371734644 156082718 /nfs/dbraw/zinc/08/27/18/156082718.db2.gz GTSSDSJNJYFFRB-UHFFFAOYSA-N 1 2 327.319 1.183 20 30 EDEDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000374353032 157257688 /nfs/dbraw/zinc/25/76/88/157257688.db2.gz QSWRYLHNJYETDP-INIZCTEOSA-N 1 2 328.397 1.418 20 30 EDEDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1 ZINC000374353032 157257690 /nfs/dbraw/zinc/25/76/90/157257690.db2.gz QSWRYLHNJYETDP-INIZCTEOSA-N 1 2 328.397 1.418 20 30 EDEDLO Cn1c[nH+]cc1CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000378024045 158059489 /nfs/dbraw/zinc/05/94/89/158059489.db2.gz IGVVZKRSAFTZHM-MRXNPFEDSA-N 1 2 337.383 1.099 20 30 EDEDLO N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000378230188 158116410 /nfs/dbraw/zinc/11/64/10/158116410.db2.gz NORMYMYOJRUYQU-HZPDHXFCSA-N 1 2 349.456 1.480 20 30 EDEDLO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000060480821 287235672 /nfs/dbraw/zinc/23/56/72/287235672.db2.gz NCNKDFRRILRFLO-HUUCEWRRSA-N 1 2 329.448 1.769 20 30 EDEDLO Cc1cc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)c(C#N)cn1 ZINC000425211469 269914667 /nfs/dbraw/zinc/91/46/67/269914667.db2.gz UIUXGUAJCUOVPY-GOSISDBHSA-N 1 2 335.411 1.610 20 30 EDEDLO Cc1nn(C)c(N2CC[NH+](CC#Cc3ccc(F)cc3)CC2)c1C#N ZINC000349885699 269927307 /nfs/dbraw/zinc/92/73/07/269927307.db2.gz SSQQSWPJOGCUEO-UHFFFAOYSA-N 1 2 337.402 1.913 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284528964 266331613 /nfs/dbraw/zinc/33/16/13/266331613.db2.gz FJGPKLXBUJMZFU-WBVHZDCISA-N 1 2 344.415 1.894 20 30 EDEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284528964 266331619 /nfs/dbraw/zinc/33/16/19/266331619.db2.gz FJGPKLXBUJMZFU-WBVHZDCISA-N 1 2 344.415 1.894 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280753745 267156865 /nfs/dbraw/zinc/15/68/65/267156865.db2.gz IEAZIXQDXLBGNR-PBHICJAKSA-N 1 2 326.400 1.077 20 30 EDEDLO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000456567066 267184762 /nfs/dbraw/zinc/18/47/62/267184762.db2.gz ZEQVAAPAEOZIBV-LLVKDONJSA-N 1 2 334.445 1.937 20 30 EDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nc2c(cc1C#N)CCC2 ZINC000528135680 267330219 /nfs/dbraw/zinc/33/02/19/267330219.db2.gz YDFSSBARXHVDOR-IBGZPJMESA-N 1 2 342.443 1.470 20 30 EDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nc2c(cc1C#N)CCC2 ZINC000528135680 267330221 /nfs/dbraw/zinc/33/02/21/267330221.db2.gz YDFSSBARXHVDOR-IBGZPJMESA-N 1 2 342.443 1.470 20 30 EDEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(C#N)c(C)c1 ZINC000488410917 267362727 /nfs/dbraw/zinc/36/27/27/267362727.db2.gz VPJDRSHFETZUKC-UHFFFAOYSA-N 1 2 331.416 1.174 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2c(F)cccc2C#N)C1 ZINC000412362898 267363128 /nfs/dbraw/zinc/36/31/28/267363128.db2.gz VKOCKQACYTXHNS-ZDUSSCGKSA-N 1 2 347.390 1.241 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cc2c(F)cccc2C#N)C1 ZINC000412362898 267363129 /nfs/dbraw/zinc/36/31/29/267363129.db2.gz VKOCKQACYTXHNS-ZDUSSCGKSA-N 1 2 347.390 1.241 20 30 EDEDLO Cn1c(C#N)ccc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000448790566 268115684 /nfs/dbraw/zinc/11/56/84/268115684.db2.gz JWMBFISYWHYOHQ-UHFFFAOYSA-N 1 2 337.427 1.896 20 30 EDEDLO Cn1cc(C[NH+]2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000436109923 268126807 /nfs/dbraw/zinc/12/68/07/268126807.db2.gz BAZQMCBBJXGHNY-UHFFFAOYSA-N 1 2 338.415 1.048 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000528642037 268306282 /nfs/dbraw/zinc/30/62/82/268306282.db2.gz TXUJPWJBSQPTJU-CQSZACIVSA-N 1 2 349.456 1.812 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000528642037 268306283 /nfs/dbraw/zinc/30/62/83/268306283.db2.gz TXUJPWJBSQPTJU-CQSZACIVSA-N 1 2 349.456 1.812 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC3(O)CCC3)CC2)cc1 ZINC000284848873 274358152 /nfs/dbraw/zinc/35/81/52/274358152.db2.gz JCHMKKGOFWIWNE-UHFFFAOYSA-N 1 2 342.443 1.691 20 30 EDEDLO C[N@@H+]1CCc2ncnc(N3CCN(c4cccc(C#N)n4)CC3)c2C1 ZINC000354701378 277189673 /nfs/dbraw/zinc/18/96/73/277189673.db2.gz FDBKAGORNTXBON-UHFFFAOYSA-N 1 2 335.415 1.058 20 30 EDEDLO C[N@H+]1CCc2ncnc(N3CCN(c4cccc(C#N)n4)CC3)c2C1 ZINC000354701378 277189674 /nfs/dbraw/zinc/18/96/74/277189674.db2.gz FDBKAGORNTXBON-UHFFFAOYSA-N 1 2 335.415 1.058 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cnn(CCF)c3)CC2)cc1 ZINC000287336308 288212755 /nfs/dbraw/zinc/21/27/55/288212755.db2.gz PZXRCVIPHIEZHM-UHFFFAOYSA-N 1 2 341.390 1.682 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000052658790 289251425 /nfs/dbraw/zinc/25/14/25/289251425.db2.gz QJCYWTQPODMINV-CQSZACIVSA-N 1 2 345.403 1.477 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332150368 298135609 /nfs/dbraw/zinc/13/56/09/298135609.db2.gz IJADMGJPUMAECE-OLZOCXBDSA-N 1 2 347.419 1.686 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000332150368 298135611 /nfs/dbraw/zinc/13/56/11/298135611.db2.gz IJADMGJPUMAECE-OLZOCXBDSA-N 1 2 347.419 1.686 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000332150368 298135614 /nfs/dbraw/zinc/13/56/14/298135614.db2.gz IJADMGJPUMAECE-OLZOCXBDSA-N 1 2 347.419 1.686 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000332150368 298135616 /nfs/dbraw/zinc/13/56/16/298135616.db2.gz IJADMGJPUMAECE-OLZOCXBDSA-N 1 2 347.419 1.686 20 30 EDEDLO COc1ccc(C[N@@H+]2CCO[C@H]([C@H](C)O)C2)cc1OCCCC#N ZINC000414578547 447314697 /nfs/dbraw/zinc/31/46/97/447314697.db2.gz IEIVVSMBJBTVIP-KSSFIOAISA-N 1 2 334.416 1.959 20 30 EDEDLO COc1ccc(C[N@H+]2CCO[C@H]([C@H](C)O)C2)cc1OCCCC#N ZINC000414578547 447314708 /nfs/dbraw/zinc/31/47/08/447314708.db2.gz IEIVVSMBJBTVIP-KSSFIOAISA-N 1 2 334.416 1.959 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2ccc(C#N)cc2)C1=O ZINC000542154162 306051588 /nfs/dbraw/zinc/05/15/88/306051588.db2.gz HAIPEDIIENVJGN-HNNXBMFYSA-N 1 2 337.383 1.213 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CC(C)(C)C#N)nc[nH+]1 ZINC000458473936 447379658 /nfs/dbraw/zinc/37/96/58/447379658.db2.gz JKZHGYKMRPDITJ-CYBMUJFWSA-N 1 2 345.451 1.678 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)N(C)CC(C)(C)C#N)[nH+]cn1 ZINC000458473936 447379662 /nfs/dbraw/zinc/37/96/62/447379662.db2.gz JKZHGYKMRPDITJ-CYBMUJFWSA-N 1 2 345.451 1.678 20 30 EDEDLO CC[N@@H+]1CC[C@@H](NC(=O)/C=N/OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000377889305 447385055 /nfs/dbraw/zinc/38/50/55/447385055.db2.gz NZNIPDCPZLCCEH-HVDZUGNZSA-N 1 2 329.322 1.988 20 30 EDEDLO CC[N@H+]1CC[C@@H](NC(=O)/C=N/OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000377889305 447385065 /nfs/dbraw/zinc/38/50/65/447385065.db2.gz NZNIPDCPZLCCEH-HVDZUGNZSA-N 1 2 329.322 1.988 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000378458427 447431398 /nfs/dbraw/zinc/43/13/98/447431398.db2.gz DTTKAHKXQKCBLV-AWEZNQCLSA-N 1 2 333.411 1.351 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000450215943 447435311 /nfs/dbraw/zinc/43/53/11/447435311.db2.gz LXGLLGSURCHOPT-UHFFFAOYSA-N 1 2 329.444 1.648 20 30 EDEDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000045292684 440969835 /nfs/dbraw/zinc/96/98/35/440969835.db2.gz JZLZVPDIPMSWPU-RDJZCZTQSA-N 1 2 332.400 1.716 20 30 EDEDLO CCOC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000045292684 440969839 /nfs/dbraw/zinc/96/98/39/440969839.db2.gz JZLZVPDIPMSWPU-RDJZCZTQSA-N 1 2 332.400 1.716 20 30 EDEDLO CCCN(CC#N)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000058921317 441220132 /nfs/dbraw/zinc/22/01/32/441220132.db2.gz TYFRYEYZJOTCTF-UHFFFAOYSA-N 1 2 344.459 1.575 20 30 EDEDLO CCc1ccc(OCC(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000060634049 441254965 /nfs/dbraw/zinc/25/49/65/441254965.db2.gz AFPBVDRSCANRBK-UHFFFAOYSA-N 1 2 345.443 1.702 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)c(C#N)c1C ZINC000072829413 441263723 /nfs/dbraw/zinc/26/37/23/441263723.db2.gz NVILIFIWOSKIDC-KZULUSFZSA-N 1 2 344.415 1.697 20 30 EDEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)c(C#N)c1C ZINC000072829413 441263729 /nfs/dbraw/zinc/26/37/29/441263729.db2.gz NVILIFIWOSKIDC-KZULUSFZSA-N 1 2 344.415 1.697 20 30 EDEDLO N#CCCN(CC(=O)N1CC[NH+](Cc2ccco2)CC1)CC1CC1 ZINC000081514674 441280369 /nfs/dbraw/zinc/28/03/69/441280369.db2.gz XGDNJZWYWIJSRO-UHFFFAOYSA-N 1 2 330.432 1.549 20 30 EDEDLO Cn1cc[nH+]c1CN1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000106028523 441322576 /nfs/dbraw/zinc/32/25/76/441322576.db2.gz HDVGSZPYAHFZLS-UHFFFAOYSA-N 1 2 338.415 1.048 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC(=O)N(C)C ZINC000073643583 441338257 /nfs/dbraw/zinc/33/82/57/441338257.db2.gz RJAPSQUSOUILGD-CYBMUJFWSA-N 1 2 334.395 1.481 20 30 EDEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC(=O)N(C)C ZINC000073643583 441338261 /nfs/dbraw/zinc/33/82/61/441338261.db2.gz RJAPSQUSOUILGD-CYBMUJFWSA-N 1 2 334.395 1.481 20 30 EDEDLO CNC(=O)CC1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083216852 441355577 /nfs/dbraw/zinc/35/55/77/441355577.db2.gz INZCFPUPEMZEFN-QGZVFWFLSA-N 1 2 329.400 1.620 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2cnccn2)CC1 ZINC000027631620 441409756 /nfs/dbraw/zinc/40/97/56/441409756.db2.gz PDFGRLZRHJEAAP-PBHICJAKSA-N 1 2 330.436 1.042 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000052659918 441468073 /nfs/dbraw/zinc/46/80/73/441468073.db2.gz APMACDWHYKRWLW-HNNXBMFYSA-N 1 2 347.459 1.512 20 30 EDEDLO C=CCNC(=O)[C@H](C)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000052659918 441468079 /nfs/dbraw/zinc/46/80/79/441468079.db2.gz APMACDWHYKRWLW-HNNXBMFYSA-N 1 2 347.459 1.512 20 30 EDEDLO N#CCN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)C1CCCC1 ZINC000074680194 441457323 /nfs/dbraw/zinc/45/73/23/441457323.db2.gz JOZBFKKGJMMSBR-UHFFFAOYSA-N 1 2 327.432 1.498 20 30 EDEDLO Cc1ccccc1CNC(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029446749 441460132 /nfs/dbraw/zinc/46/01/32/441460132.db2.gz GGGZKQLBPIMMHJ-UHFFFAOYSA-N 1 2 349.438 1.700 20 30 EDEDLO N#CCOc1ccc(CC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000110162904 441514277 /nfs/dbraw/zinc/51/42/77/441514277.db2.gz QONFYSGMYSCXBU-UHFFFAOYSA-N 1 2 336.395 1.875 20 30 EDEDLO COC(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000075311178 441517051 /nfs/dbraw/zinc/51/70/51/441517051.db2.gz CSECLRFNTUBDCF-UHFFFAOYSA-N 1 2 330.432 1.810 20 30 EDEDLO C[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1cccc(C#N)c1 ZINC000075505214 441529007 /nfs/dbraw/zinc/52/90/07/441529007.db2.gz FZROWXLEVFWXHJ-INIZCTEOSA-N 1 2 349.438 1.953 20 30 EDEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000041490766 441656864 /nfs/dbraw/zinc/65/68/64/441656864.db2.gz FTZJKTYKCCHQJL-UHFFFAOYSA-N 1 2 349.394 1.808 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114858186 441692055 /nfs/dbraw/zinc/69/20/55/441692055.db2.gz SETZIHKYWVFENL-DYVFJYSZSA-N 1 2 329.400 1.305 20 30 EDEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000114858186 441692058 /nfs/dbraw/zinc/69/20/58/441692058.db2.gz SETZIHKYWVFENL-DYVFJYSZSA-N 1 2 329.400 1.305 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC(C(=O)NC3CC3)CC2)c(C#N)c1C ZINC000055913720 441674054 /nfs/dbraw/zinc/67/40/54/441674054.db2.gz XGQOOXHJGFVAGZ-UHFFFAOYSA-N 1 2 344.415 1.697 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000042542048 441750397 /nfs/dbraw/zinc/75/03/97/441750397.db2.gz YOVGNLNJWQURIN-INIZCTEOSA-N 1 2 332.448 1.690 20 30 EDEDLO CCN(CC#N)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000068240758 441761109 /nfs/dbraw/zinc/76/11/09/441761109.db2.gz FJURTKDPEAWASI-UHFFFAOYSA-N 1 2 344.396 1.868 20 30 EDEDLO C#CCOCCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000161405590 441996089 /nfs/dbraw/zinc/99/60/89/441996089.db2.gz FBABCQBWIUXIBI-QGZVFWFLSA-N 1 2 327.384 1.674 20 30 EDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@H]1C[N@H+](C)CCO1 ZINC000125880067 442057969 /nfs/dbraw/zinc/05/79/69/442057969.db2.gz JIPXAKHRYAKMMP-QMTHXVAHSA-N 1 2 343.836 1.209 20 30 EDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000125880067 442057973 /nfs/dbraw/zinc/05/79/73/442057973.db2.gz JIPXAKHRYAKMMP-QMTHXVAHSA-N 1 2 343.836 1.209 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120617976 442106582 /nfs/dbraw/zinc/10/65/82/442106582.db2.gz TVQWMXPTXVMYSL-HNNXBMFYSA-N 1 2 335.429 1.223 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000120617976 442106587 /nfs/dbraw/zinc/10/65/87/442106587.db2.gz TVQWMXPTXVMYSL-HNNXBMFYSA-N 1 2 335.429 1.223 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128489101 442269742 /nfs/dbraw/zinc/26/97/42/442269742.db2.gz BHYCIPIZYTZTSE-GFCCVEGCSA-N 1 2 337.807 1.805 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000128489101 442269744 /nfs/dbraw/zinc/26/97/44/442269744.db2.gz BHYCIPIZYTZTSE-GFCCVEGCSA-N 1 2 337.807 1.805 20 30 EDEDLO CN(CC[NH+]1CCOCC1)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000171418440 442346275 /nfs/dbraw/zinc/34/62/75/442346275.db2.gz SJZKXUSVIQSNOL-QPJJXVBHSA-N 1 2 329.400 1.393 20 30 EDEDLO CC(C)(CNC(=O)NCc1ccc(C#N)cc1F)[NH+]1CCOCC1 ZINC000171482101 442352129 /nfs/dbraw/zinc/35/21/29/442352129.db2.gz GLTKJLNJASNVAD-UHFFFAOYSA-N 1 2 334.395 1.607 20 30 EDEDLO Cn1cc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)c(C(F)(F)F)n1 ZINC000155162828 442379339 /nfs/dbraw/zinc/37/93/39/442379339.db2.gz KOVGYDYICZFOEZ-AWEZNQCLSA-N 1 2 343.353 1.679 20 30 EDEDLO Cn1cc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)c(C(F)(F)F)n1 ZINC000155162828 442379342 /nfs/dbraw/zinc/37/93/42/442379342.db2.gz KOVGYDYICZFOEZ-AWEZNQCLSA-N 1 2 343.353 1.679 20 30 EDEDLO C[C@@H](C#N)CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000171784692 442381338 /nfs/dbraw/zinc/38/13/38/442381338.db2.gz NDPMZIJEHASNQA-ZDUSSCGKSA-N 1 2 325.372 1.801 20 30 EDEDLO C=CCC(CC=C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000132006021 442385763 /nfs/dbraw/zinc/38/57/63/442385763.db2.gz YOILAXPYMZSBPV-INIZCTEOSA-N 1 2 349.475 1.146 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155306899 442386568 /nfs/dbraw/zinc/38/65/68/442386568.db2.gz TZNMNCDWIPUFFJ-UHFFFAOYSA-N 1 2 331.342 1.633 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155306899 442386569 /nfs/dbraw/zinc/38/65/69/442386569.db2.gz TZNMNCDWIPUFFJ-UHFFFAOYSA-N 1 2 331.342 1.633 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000155488501 442401834 /nfs/dbraw/zinc/40/18/34/442401834.db2.gz ZJFWERLWFVUPIK-OAHLLOKOSA-N 1 2 340.431 1.059 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000155488501 442401835 /nfs/dbraw/zinc/40/18/35/442401835.db2.gz ZJFWERLWFVUPIK-OAHLLOKOSA-N 1 2 340.431 1.059 20 30 EDEDLO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nnc2ccccn21 ZINC000172613661 442504473 /nfs/dbraw/zinc/50/44/73/442504473.db2.gz VZAVUMSIRXZAFE-CYBMUJFWSA-N 1 2 326.404 1.723 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000191864798 442527873 /nfs/dbraw/zinc/52/78/73/442527873.db2.gz RJWUNIXHWFOVPK-CYBMUJFWSA-N 1 2 330.407 1.482 20 30 EDEDLO CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000135368805 442586488 /nfs/dbraw/zinc/58/64/88/442586488.db2.gz PHMSRSCEMXLRLZ-UHFFFAOYSA-N 1 2 349.398 1.754 20 30 EDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000157648454 442600425 /nfs/dbraw/zinc/60/04/25/442600425.db2.gz ADHBNNHUIVIPCE-CYBMUJFWSA-N 1 2 345.403 1.503 20 30 EDEDLO C[C@H](O)C[C@H]1COCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192786319 442686422 /nfs/dbraw/zinc/68/64/22/442686422.db2.gz ALPYYKMTYFTRDZ-JCGIZDLHSA-N 1 2 343.427 1.525 20 30 EDEDLO C[C@H](O)C[C@H]1COCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192786319 442686423 /nfs/dbraw/zinc/68/64/23/442686423.db2.gz ALPYYKMTYFTRDZ-JCGIZDLHSA-N 1 2 343.427 1.525 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1)C1CC1 ZINC000181771204 442715492 /nfs/dbraw/zinc/71/54/92/442715492.db2.gz UHLXQXIUTMVUAV-WBVHZDCISA-N 1 2 349.456 1.170 20 30 EDEDLO C=CC[N@H+](CC(=O)NCCCN1CCCC1=O)Cc1ccccc1F ZINC000193427076 442741697 /nfs/dbraw/zinc/74/16/97/442741697.db2.gz MLJLEIFQRCKVOX-UHFFFAOYSA-N 1 2 347.434 1.942 20 30 EDEDLO C=CC[N@@H+](CC(=O)NCCCN1CCCC1=O)Cc1ccccc1F ZINC000193427076 442741700 /nfs/dbraw/zinc/74/17/00/442741700.db2.gz MLJLEIFQRCKVOX-UHFFFAOYSA-N 1 2 347.434 1.942 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000246590446 442796122 /nfs/dbraw/zinc/79/61/22/442796122.db2.gz WQOJPCQSOVWIPV-SUMWQHHRSA-N 1 2 329.400 1.750 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000246590446 442796124 /nfs/dbraw/zinc/79/61/24/442796124.db2.gz WQOJPCQSOVWIPV-SUMWQHHRSA-N 1 2 329.400 1.750 20 30 EDEDLO Cc1cc(N2CCN(C(=O)NC[C@@H](C)C#N)CC2)nc(C(C)C)[nH+]1 ZINC000182862993 442837666 /nfs/dbraw/zinc/83/76/66/442837666.db2.gz URLZXXRKRDVLAR-ZDUSSCGKSA-N 1 2 330.436 1.900 20 30 EDEDLO Cc1[nH+]ccn1CCCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000268122594 442856759 /nfs/dbraw/zinc/85/67/59/442856759.db2.gz AOEOBNBUKRGZFE-UHFFFAOYSA-N 1 2 340.355 1.710 20 30 EDEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1COc2ccccc2O1 ZINC000249510928 442980109 /nfs/dbraw/zinc/98/01/09/442980109.db2.gz PYZWXHMVMNVBCC-KSSFIOAISA-N 1 2 329.400 1.567 20 30 EDEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1COc2ccccc2O1 ZINC000249510928 442980112 /nfs/dbraw/zinc/98/01/12/442980112.db2.gz PYZWXHMVMNVBCC-KSSFIOAISA-N 1 2 329.400 1.567 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2[nH]c1=S ZINC000195111786 442982527 /nfs/dbraw/zinc/98/25/27/442982527.db2.gz JKDRURIQKXQWEG-LBPRGKRZSA-N 1 2 344.440 1.435 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000266132944 443029848 /nfs/dbraw/zinc/02/98/48/443029848.db2.gz BLYNGVGARBSYNZ-QGZVFWFLSA-N 1 2 349.456 1.042 20 30 EDEDLO C#CCNC(=O)c1ccc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)nc1 ZINC000266184680 443049310 /nfs/dbraw/zinc/04/93/10/443049310.db2.gz WKQQKQRMHUOENZ-QGZVFWFLSA-N 1 2 343.475 1.129 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000268660146 443068035 /nfs/dbraw/zinc/06/80/35/443068035.db2.gz XHUILWRQKWJOKR-GXTWGEPZSA-N 1 2 347.440 1.866 20 30 EDEDLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000268660146 443068040 /nfs/dbraw/zinc/06/80/40/443068040.db2.gz XHUILWRQKWJOKR-GXTWGEPZSA-N 1 2 347.440 1.866 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000185560121 443219949 /nfs/dbraw/zinc/21/99/49/443219949.db2.gz NTYJYRJJSIVFPH-UHFFFAOYSA-N 1 2 346.412 1.789 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)C[C@H](C)C#N)c(OC)c1 ZINC000263693098 443236582 /nfs/dbraw/zinc/23/65/82/443236582.db2.gz LVDRKAIHDIMILC-OCCSQVGLSA-N 1 2 336.388 1.313 20 30 EDEDLO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)C[C@H](C)C#N)c(OC)c1 ZINC000263693098 443236589 /nfs/dbraw/zinc/23/65/89/443236589.db2.gz LVDRKAIHDIMILC-OCCSQVGLSA-N 1 2 336.388 1.313 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246213378 443279253 /nfs/dbraw/zinc/27/92/53/443279253.db2.gz YOYMNUBKQBPBKO-ZIAGYGMSSA-N 1 2 329.466 1.036 20 30 EDEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246213378 443279255 /nfs/dbraw/zinc/27/92/55/443279255.db2.gz YOYMNUBKQBPBKO-ZIAGYGMSSA-N 1 2 329.466 1.036 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000272520809 443348921 /nfs/dbraw/zinc/34/89/21/443348921.db2.gz JTYHCZGEKFIGLO-QWHCGFSZSA-N 1 2 341.371 1.317 20 30 EDEDLO CC[N@H+](CCCNS(=O)(=O)N(C)[C@H](C)CC#N)c1ccccc1 ZINC000282934488 443474268 /nfs/dbraw/zinc/47/42/68/443474268.db2.gz IHJWRYKBSXRCEM-OAHLLOKOSA-N 1 2 338.477 1.971 20 30 EDEDLO CC[N@@H+](CCCNS(=O)(=O)N(C)[C@H](C)CC#N)c1ccccc1 ZINC000282934488 443474269 /nfs/dbraw/zinc/47/42/69/443474269.db2.gz IHJWRYKBSXRCEM-OAHLLOKOSA-N 1 2 338.477 1.971 20 30 EDEDLO COc1cc(C[NH+]2CCN(C(=O)NCCCC#N)CC2)cc(OC)c1 ZINC000273177368 443554388 /nfs/dbraw/zinc/55/43/88/443554388.db2.gz FQKTXMFVCGGKQI-UHFFFAOYSA-N 1 2 346.431 1.835 20 30 EDEDLO C#CC[N@@H+](CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)C1CC1 ZINC000274043300 443592617 /nfs/dbraw/zinc/59/26/17/443592617.db2.gz FLFYSXGSHNICHA-UHFFFAOYSA-N 1 2 344.367 1.296 20 30 EDEDLO C#CC[N@H+](CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)C1CC1 ZINC000274043300 443592621 /nfs/dbraw/zinc/59/26/21/443592621.db2.gz FLFYSXGSHNICHA-UHFFFAOYSA-N 1 2 344.367 1.296 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2C(=O)OC)c(OC)c1 ZINC000265283635 443594444 /nfs/dbraw/zinc/59/44/44/443594444.db2.gz ZTLADMKAKBOGRR-HOTGVXAUSA-N 1 2 349.427 1.801 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2C(=O)OC)c(OC)c1 ZINC000265283635 443594448 /nfs/dbraw/zinc/59/44/48/443594448.db2.gz ZTLADMKAKBOGRR-HOTGVXAUSA-N 1 2 349.427 1.801 20 30 EDEDLO N#CC1(CS(=O)(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000274180298 443596851 /nfs/dbraw/zinc/59/68/51/443596851.db2.gz IYEUEVCSZOTHLE-UHFFFAOYSA-N 1 2 334.445 1.795 20 30 EDEDLO C#CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccccc1SC)C1CC1 ZINC000274170929 443597170 /nfs/dbraw/zinc/59/71/70/443597170.db2.gz NRUIGFCWSMZQHF-UHFFFAOYSA-N 1 2 345.468 1.903 20 30 EDEDLO C#CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccccc1SC)C1CC1 ZINC000274170929 443597175 /nfs/dbraw/zinc/59/71/75/443597175.db2.gz NRUIGFCWSMZQHF-UHFFFAOYSA-N 1 2 345.468 1.903 20 30 EDEDLO C#CCNc1nc(N[C@@H]2CCO[C@@H]2C)[nH+]c(N[C@H]2CCO[C@@H]2C)n1 ZINC000286437335 443710877 /nfs/dbraw/zinc/71/08/77/443710877.db2.gz ILEXGYNOOFNTPB-LPWJVIDDSA-N 1 2 332.408 1.095 20 30 EDEDLO C#CCNc1nc(N[C@@H]2CCO[C@@H]2C)nc(N[C@H]2CCO[C@@H]2C)[nH+]1 ZINC000286437335 443710885 /nfs/dbraw/zinc/71/08/85/443710885.db2.gz ILEXGYNOOFNTPB-LPWJVIDDSA-N 1 2 332.408 1.095 20 30 EDEDLO C#CCNc1nc(N[C@H]2CCO[C@@H]2C)nc(N[C@@H]2CCO[C@@H]2C)[nH+]1 ZINC000286437335 443710891 /nfs/dbraw/zinc/71/08/91/443710891.db2.gz ILEXGYNOOFNTPB-LPWJVIDDSA-N 1 2 332.408 1.095 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(COCc3ccccc3)n2C)CC1 ZINC000283785111 443718485 /nfs/dbraw/zinc/71/84/85/443718485.db2.gz LPSWBUVARIHWAK-UHFFFAOYSA-N 1 2 325.416 1.287 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)nc2C)CC1 ZINC000286625046 443718501 /nfs/dbraw/zinc/71/85/01/443718501.db2.gz MXENKFQELBFNPM-UHFFFAOYSA-N 1 2 327.837 1.373 20 30 EDEDLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000290971539 443724185 /nfs/dbraw/zinc/72/41/85/443724185.db2.gz XMUWCJYWDGKXID-OAHLLOKOSA-N 1 2 347.444 1.672 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C[C@H]21 ZINC000284714427 443785080 /nfs/dbraw/zinc/78/50/80/443785080.db2.gz ZWJWPRLQMWBIEE-RCCFBDPRSA-N 1 2 338.411 1.172 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C[C@H]21 ZINC000284714427 443785082 /nfs/dbraw/zinc/78/50/82/443785082.db2.gz ZWJWPRLQMWBIEE-RCCFBDPRSA-N 1 2 338.411 1.172 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298548141 443796044 /nfs/dbraw/zinc/79/60/44/443796044.db2.gz FAUZTDOXPBQEHG-GJZGRUSLSA-N 1 2 328.478 1.332 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298548141 443796049 /nfs/dbraw/zinc/79/60/49/443796049.db2.gz FAUZTDOXPBQEHG-GJZGRUSLSA-N 1 2 328.478 1.332 20 30 EDEDLO C#CCNc1nc(N[C@H](C)CCCO)[nH+]c(N[C@@H](C)CCCO)n1 ZINC000288068776 443766599 /nfs/dbraw/zinc/76/65/99/443766599.db2.gz YQUWPKRULYSTFV-BETUJISGSA-N 1 2 336.440 1.063 20 30 EDEDLO C#CCNc1nc(N[C@@H](C)CCCO)nc(N[C@H](C)CCCO)[nH+]1 ZINC000288068776 443766603 /nfs/dbraw/zinc/76/66/03/443766603.db2.gz YQUWPKRULYSTFV-BETUJISGSA-N 1 2 336.440 1.063 20 30 EDEDLO C#CCNc1nc(N[C@H](C)CCCO)nc(N[C@@H](C)CCCO)[nH+]1 ZINC000288068776 443766607 /nfs/dbraw/zinc/76/66/07/443766607.db2.gz YQUWPKRULYSTFV-BETUJISGSA-N 1 2 336.440 1.063 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1OC ZINC000284286351 443771971 /nfs/dbraw/zinc/77/19/71/443771971.db2.gz ZBUDISIZRILUSC-JKSUJKDBSA-N 1 2 346.427 1.805 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1OC ZINC000284286351 443771972 /nfs/dbraw/zinc/77/19/72/443771972.db2.gz ZBUDISIZRILUSC-JKSUJKDBSA-N 1 2 346.427 1.805 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1OC ZINC000284286341 443771990 /nfs/dbraw/zinc/77/19/90/443771990.db2.gz ZBUDISIZRILUSC-HOTGVXAUSA-N 1 2 346.427 1.805 20 30 EDEDLO C=CCOc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1OC ZINC000284286341 443771993 /nfs/dbraw/zinc/77/19/93/443771993.db2.gz ZBUDISIZRILUSC-HOTGVXAUSA-N 1 2 346.427 1.805 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000298457776 443773726 /nfs/dbraw/zinc/77/37/26/443773726.db2.gz YKMYXXQQYUHBFP-UHFFFAOYSA-N 1 2 342.424 1.605 20 30 EDEDLO Cc1cc(C)cc(OCCN(C)C(=O)CO[NH+]=C(N)[C@@H]2CCCO2)c1 ZINC000284507441 443777841 /nfs/dbraw/zinc/77/78/41/443777841.db2.gz TYSCLWYDVLKPEW-INIZCTEOSA-N 1 2 349.431 1.608 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2=O)cc1 ZINC000281084136 443814202 /nfs/dbraw/zinc/81/42/02/443814202.db2.gz FHMREXWOBBTJCJ-MRXNPFEDSA-N 1 2 337.383 1.526 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2=O)cc1 ZINC000281084136 443814205 /nfs/dbraw/zinc/81/42/05/443814205.db2.gz FHMREXWOBBTJCJ-MRXNPFEDSA-N 1 2 337.383 1.526 20 30 EDEDLO C#CCNC(=O)CC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000292793899 443845545 /nfs/dbraw/zinc/84/55/45/443845545.db2.gz LVCPTFHSPSKRIP-UHFFFAOYSA-N 1 2 338.791 1.160 20 30 EDEDLO C#CCNC(=O)CC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000292793899 443845547 /nfs/dbraw/zinc/84/55/47/443845547.db2.gz LVCPTFHSPSKRIP-UHFFFAOYSA-N 1 2 338.791 1.160 20 30 EDEDLO CC(=O)NCC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000298712906 443846501 /nfs/dbraw/zinc/84/65/01/443846501.db2.gz AZEDJLKEGAKMAR-LBPRGKRZSA-N 1 2 346.431 1.943 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(COC)cc2)C1=O ZINC000281354521 443888577 /nfs/dbraw/zinc/88/85/77/443888577.db2.gz NKFGJIVNLHUYGH-KRWDZBQOSA-N 1 2 345.443 1.168 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(COC)cc2)C1=O ZINC000281354521 443888582 /nfs/dbraw/zinc/88/85/82/443888582.db2.gz NKFGJIVNLHUYGH-KRWDZBQOSA-N 1 2 345.443 1.168 20 30 EDEDLO C#CCOc1ccccc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000285188916 443888678 /nfs/dbraw/zinc/88/86/78/443888678.db2.gz NJNFKXSGBXHRMU-NVXWUHKLSA-N 1 2 329.400 1.635 20 30 EDEDLO C#CCOc1ccccc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285188916 443888683 /nfs/dbraw/zinc/88/86/83/443888683.db2.gz NJNFKXSGBXHRMU-NVXWUHKLSA-N 1 2 329.400 1.635 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)cc1 ZINC000298746866 443857382 /nfs/dbraw/zinc/85/73/82/443857382.db2.gz UUJNLSHOBYKPRC-UHFFFAOYSA-N 1 2 339.359 1.161 20 30 EDEDLO COC(=O)N1CCN(c2ccc(Nc3cccc(C#N)n3)c[nH+]2)CC1 ZINC000292846665 443858755 /nfs/dbraw/zinc/85/87/55/443858755.db2.gz QWIRXTYLRUGAMN-UHFFFAOYSA-N 1 2 338.371 1.980 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)C1=O ZINC000281303583 443874060 /nfs/dbraw/zinc/87/40/60/443874060.db2.gz JZURYBRSDNWGAK-BBRMVZONSA-N 1 2 326.400 1.604 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)C1=O ZINC000281303583 443874064 /nfs/dbraw/zinc/87/40/64/443874064.db2.gz JZURYBRSDNWGAK-BBRMVZONSA-N 1 2 326.400 1.604 20 30 EDEDLO C=C(C)CS(=O)(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000288724854 443964935 /nfs/dbraw/zinc/96/49/35/443964935.db2.gz ZGGCEHBSMTWYOY-KBPBESRZSA-N 1 2 344.456 1.170 20 30 EDEDLO Cn1cc[nH+]c1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000285474259 443997776 /nfs/dbraw/zinc/99/77/76/443997776.db2.gz CGQHCRXTNIPVLM-UHFFFAOYSA-N 1 2 341.390 1.964 20 30 EDEDLO C=CCC1(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000619104924 450409933 /nfs/dbraw/zinc/40/99/33/450409933.db2.gz XTRAPBXQJYUYSP-INIZCTEOSA-N 1 2 349.475 1.172 20 30 EDEDLO C=CCN1CC[C@H](N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000282033461 444068320 /nfs/dbraw/zinc/06/83/20/444068320.db2.gz QGVOHXVPLDCENR-IBGZPJMESA-N 1 2 342.487 1.527 20 30 EDEDLO CCOc1cccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000299553526 444077686 /nfs/dbraw/zinc/07/76/86/444077686.db2.gz TYSQBQJPWOIYRM-UHFFFAOYSA-N 1 2 331.416 1.773 20 30 EDEDLO N#CCOc1cccc(CC(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000277986452 444077914 /nfs/dbraw/zinc/07/79/14/444077914.db2.gz QYESXPAQESWHQP-UHFFFAOYSA-N 1 2 329.400 1.112 20 30 EDEDLO Cc1nc(C)c(Cn2cc(C[NH+]3CCOCC3)cc(C#N)c2=O)s1 ZINC000565241991 321178749 /nfs/dbraw/zinc/17/87/49/321178749.db2.gz KMGVZTJCVZWOFO-UHFFFAOYSA-N 1 2 344.440 1.674 20 30 EDEDLO Cc1oc(NC(=O)CN2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(C#N)c1C ZINC000285977455 444167348 /nfs/dbraw/zinc/16/73/48/444167348.db2.gz NWRPDSUNZVFUMP-WFASDCNBSA-N 1 2 346.431 1.502 20 30 EDEDLO Cc1oc(NC(=O)C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c(C#N)c1C ZINC000285977455 444167353 /nfs/dbraw/zinc/16/73/53/444167353.db2.gz NWRPDSUNZVFUMP-WFASDCNBSA-N 1 2 346.431 1.502 20 30 EDEDLO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c(C#N)c1C ZINC000285977455 444167356 /nfs/dbraw/zinc/16/73/56/444167356.db2.gz NWRPDSUNZVFUMP-WFASDCNBSA-N 1 2 346.431 1.502 20 30 EDEDLO Cc1cccc2[nH+]c(CNc3ccc(S(N)(=O)=O)cc3C#N)cn21 ZINC000301405495 444169883 /nfs/dbraw/zinc/16/98/83/444169883.db2.gz UHAVIHMYGGTJMG-UHFFFAOYSA-N 1 2 341.396 1.774 20 30 EDEDLO Cc1oc(NC(=O)C[NH+]2CCC(N3CN=NC3=O)CC2)c(C#N)c1C ZINC000576834431 321600897 /nfs/dbraw/zinc/60/08/97/321600897.db2.gz KWGDEZHETSJXRR-UHFFFAOYSA-N 1 2 344.375 1.341 20 30 EDEDLO C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C(=O)N1CCCC[C@H]1C ZINC000328764631 444344845 /nfs/dbraw/zinc/34/48/45/444344845.db2.gz GJZRYINKTZHNTH-ILXRZTDVSA-N 1 2 347.463 1.913 20 30 EDEDLO COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000331021267 444361384 /nfs/dbraw/zinc/36/13/84/444361384.db2.gz PHEBQTMHOVKNJX-APIJFGDWSA-N 1 2 341.452 1.141 20 30 EDEDLO CCOC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000325251848 444363311 /nfs/dbraw/zinc/36/33/11/444363311.db2.gz KZVSZXLTHBWRCA-HZPDHXFCSA-N 1 2 332.400 1.716 20 30 EDEDLO CCOC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000325251848 444363317 /nfs/dbraw/zinc/36/33/17/444363317.db2.gz KZVSZXLTHBWRCA-HZPDHXFCSA-N 1 2 332.400 1.716 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340198911 444369842 /nfs/dbraw/zinc/36/98/42/444369842.db2.gz DHVPYIWONLTNOB-TZMCWYRMSA-N 1 2 346.353 1.420 20 30 EDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340198911 444369846 /nfs/dbraw/zinc/36/98/46/444369846.db2.gz DHVPYIWONLTNOB-TZMCWYRMSA-N 1 2 346.353 1.420 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)[C@@H]1CCNC1=O ZINC000340225063 444371642 /nfs/dbraw/zinc/37/16/42/444371642.db2.gz IFEASKJJBZRCJO-DZGCQCFKSA-N 1 2 344.415 1.151 20 30 EDEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCNC1=O ZINC000340225063 444371647 /nfs/dbraw/zinc/37/16/47/444371647.db2.gz IFEASKJJBZRCJO-DZGCQCFKSA-N 1 2 344.415 1.151 20 30 EDEDLO C[C@H](CCS(C)(=O)=O)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331046957 444373244 /nfs/dbraw/zinc/37/32/44/444373244.db2.gz VFXIDVPTMPZNKP-TZMCWYRMSA-N 1 2 341.433 1.272 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)[NH+]1CCSCC1 ZINC000328920761 444403432 /nfs/dbraw/zinc/40/34/32/444403432.db2.gz BYLYPXWYESXDQE-TZMCWYRMSA-N 1 2 341.477 1.160 20 30 EDEDLO N#Cc1cccc2c1CCN2C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000578737719 321821583 /nfs/dbraw/zinc/82/15/83/321821583.db2.gz GUJMHINALAMXTK-UHFFFAOYSA-N 1 2 347.422 1.665 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCC[C@@H](n3cncn3)C1)CCC2 ZINC000328649579 444413727 /nfs/dbraw/zinc/41/37/27/444413727.db2.gz ISNKSZWEEZQFHT-LSDHHAIUSA-N 1 2 343.435 1.912 20 30 EDEDLO O=C(N[C@H]1CC[C@H](O)CC1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000328665398 444421287 /nfs/dbraw/zinc/42/12/87/444421287.db2.gz CDCWWCFJJYAHER-CTYIDZIISA-N 1 2 338.477 1.868 20 30 EDEDLO O=C(N[C@H]1CC[C@H](O)CC1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000328665398 444421291 /nfs/dbraw/zinc/42/12/91/444421291.db2.gz CDCWWCFJJYAHER-CTYIDZIISA-N 1 2 338.477 1.868 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)CCN2C(=O)CSc3ccccc32)C1 ZINC000328669212 444422878 /nfs/dbraw/zinc/42/28/78/444422878.db2.gz FATQHLNTTCFYRQ-ZDUSSCGKSA-N 1 2 349.456 1.803 20 30 EDEDLO C[N@H+]1CCO[C@@H](CNC(=O)CCN2C(=O)CSc3ccccc32)C1 ZINC000328669212 444422882 /nfs/dbraw/zinc/42/28/82/444422882.db2.gz FATQHLNTTCFYRQ-ZDUSSCGKSA-N 1 2 349.456 1.803 20 30 EDEDLO CCc1cnc(CCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000328869485 444382668 /nfs/dbraw/zinc/38/26/68/444382668.db2.gz HPPRZAKIJJMNAP-KBPBESRZSA-N 1 2 338.477 1.567 20 30 EDEDLO CCc1cnc(CCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000328869485 444382671 /nfs/dbraw/zinc/38/26/71/444382671.db2.gz HPPRZAKIJJMNAP-KBPBESRZSA-N 1 2 338.477 1.567 20 30 EDEDLO CC(C)(CNS(=O)(=O)CC1(C#N)CCCCC1)[NH+]1CCOCC1 ZINC000331073592 444383254 /nfs/dbraw/zinc/38/32/54/444383254.db2.gz UZDDXWCATKRJGR-UHFFFAOYSA-N 1 2 343.493 1.491 20 30 EDEDLO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCCn4cc[nH+]c43)CCO2)cn1 ZINC000328598664 444389442 /nfs/dbraw/zinc/38/94/42/444389442.db2.gz BJDKSZUXAMCXSF-HIFRSBDPSA-N 1 2 344.419 1.482 20 30 EDEDLO Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328890824 444390258 /nfs/dbraw/zinc/39/02/58/444390258.db2.gz RYGFFRZYQNGWQL-VNQPRFMTSA-N 1 2 333.436 1.116 20 30 EDEDLO Cn1cc2c(n1)CCC[C@H]2NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328890824 444390260 /nfs/dbraw/zinc/39/02/60/444390260.db2.gz RYGFFRZYQNGWQL-VNQPRFMTSA-N 1 2 333.436 1.116 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329063093 444461976 /nfs/dbraw/zinc/46/19/76/444461976.db2.gz VIDCSULAJYCGLP-RDBSUJKOSA-N 1 2 336.436 1.742 20 30 EDEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329063093 444461979 /nfs/dbraw/zinc/46/19/79/444461979.db2.gz VIDCSULAJYCGLP-RDBSUJKOSA-N 1 2 336.436 1.742 20 30 EDEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cn2c(n1)CCCC2 ZINC000328711292 444437871 /nfs/dbraw/zinc/43/78/71/444437871.db2.gz NCFWIVHEOBIDBW-UHFFFAOYSA-N 1 2 341.415 1.956 20 30 EDEDLO CNC(=O)[C@H]1C[N@H+](CC(=O)Nc2cc(C)no2)C[C@@H]1c1cnn(C)c1 ZINC000329136533 444480983 /nfs/dbraw/zinc/48/09/83/444480983.db2.gz RBEKSCCNQSVADC-OLZOCXBDSA-N 1 2 346.391 1.606 20 30 EDEDLO CNC(=O)[C@H]1C[N@@H+](CC(=O)Nc2cc(C)no2)C[C@@H]1c1cnn(C)c1 ZINC000329136533 444480984 /nfs/dbraw/zinc/48/09/84/444480984.db2.gz RBEKSCCNQSVADC-OLZOCXBDSA-N 1 2 346.391 1.606 20 30 EDEDLO CC(C)[C@@H]1C[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000329146454 444483825 /nfs/dbraw/zinc/48/38/25/444483825.db2.gz OLIGSPFQFRWULI-GJZGRUSLSA-N 1 2 327.469 1.804 20 30 EDEDLO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)Cn1cnc(C#N)n1)CCCC2 ZINC000329189005 444496209 /nfs/dbraw/zinc/49/62/09/444496209.db2.gz PNSLUTBHBLIJPG-CQSZACIVSA-N 1 2 339.403 1.126 20 30 EDEDLO CC(C)(CNC(=O)CN1CCSC[C@H]1C(N)=O)[NH+]1CCOCC1 ZINC000329190598 444496618 /nfs/dbraw/zinc/49/66/18/444496618.db2.gz RXAQGBGNQWDHLI-LBPRGKRZSA-N 1 2 344.481 1.006 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(CCCC2CCOCC2)c1=O ZINC000581499623 322185438 /nfs/dbraw/zinc/18/54/38/322185438.db2.gz MSSXPFBEVWLHCT-UHFFFAOYSA-N 1 2 345.443 1.759 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329422918 444573989 /nfs/dbraw/zinc/57/39/89/444573989.db2.gz FRSLPVUQTAOYLL-IACUBPJLSA-N 1 2 325.434 1.758 20 30 EDEDLO CCO[C@@H]1C[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)[C@]12CCCO2 ZINC000329448155 444584138 /nfs/dbraw/zinc/58/41/38/444584138.db2.gz DAMVLYAVZDLVOT-HDMKZQKVSA-N 1 2 338.448 1.924 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCN4CCOC[C@H]4C3)o2)c1 ZINC000329441711 444580528 /nfs/dbraw/zinc/58/05/28/444580528.db2.gz NEBHVRKIEQHQER-OAHLLOKOSA-N 1 2 325.372 1.125 20 30 EDEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCN4CCOC[C@H]4C3)o2)c1 ZINC000329441711 444580532 /nfs/dbraw/zinc/58/05/32/444580532.db2.gz NEBHVRKIEQHQER-OAHLLOKOSA-N 1 2 325.372 1.125 20 30 EDEDLO CC(C)c1nc2n(n1)C[C@@H](NC(=O)C1([NH+]3CCOCC3)CCC1)CC2 ZINC000329354646 444547354 /nfs/dbraw/zinc/54/73/54/444547354.db2.gz YNXVOMPKHXGCCN-AWEZNQCLSA-N 1 2 347.463 1.928 20 30 EDEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000342368808 444659583 /nfs/dbraw/zinc/65/95/83/444659583.db2.gz LDQKBCHFFAEDQM-UHFFFAOYSA-N 1 2 344.758 1.870 20 30 EDEDLO C[C@H](C#N)CN(CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000338383935 444665364 /nfs/dbraw/zinc/66/53/64/444665364.db2.gz ZFAZXKOHIYJOLJ-OAHLLOKOSA-N 1 2 330.432 1.548 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000333050924 444634477 /nfs/dbraw/zinc/63/44/77/444634477.db2.gz BNTHOYHVLZLIQR-KFWWJZLASA-N 1 2 333.436 1.152 20 30 EDEDLO CCOC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000343885961 444646741 /nfs/dbraw/zinc/64/67/41/444646741.db2.gz WOOHGFHXRWAVPE-OAHLLOKOSA-N 1 2 337.445 1.475 20 30 EDEDLO CCOC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000343885961 444646745 /nfs/dbraw/zinc/64/67/45/444646745.db2.gz WOOHGFHXRWAVPE-OAHLLOKOSA-N 1 2 337.445 1.475 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342349908 444647712 /nfs/dbraw/zinc/64/77/12/444647712.db2.gz BVQHOOQMPYVCSD-CYBMUJFWSA-N 1 2 348.472 1.907 20 30 EDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342349908 444647717 /nfs/dbraw/zinc/64/77/17/444647717.db2.gz BVQHOOQMPYVCSD-CYBMUJFWSA-N 1 2 348.472 1.907 20 30 EDEDLO C[C@@H](C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)[NH+]1CCOCC1 ZINC000342460484 444700511 /nfs/dbraw/zinc/70/05/11/444700511.db2.gz FMPRHGIXMBSCDA-WMLDXEAASA-N 1 2 329.400 1.179 20 30 EDEDLO C[N@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)[C@]1(CO)CCOC1 ZINC000329751633 444702333 /nfs/dbraw/zinc/70/23/33/444702333.db2.gz VTJLAPWCEYKVQX-AWEZNQCLSA-N 1 2 328.438 1.507 20 30 EDEDLO C[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)[C@]1(CO)CCOC1 ZINC000329751633 444702336 /nfs/dbraw/zinc/70/23/36/444702336.db2.gz VTJLAPWCEYKVQX-AWEZNQCLSA-N 1 2 328.438 1.507 20 30 EDEDLO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCn2cc[nH+]c2C1 ZINC000329805507 444723653 /nfs/dbraw/zinc/72/36/53/444723653.db2.gz ARJSVFKYSVOUNJ-ZDUSSCGKSA-N 1 2 325.372 1.418 20 30 EDEDLO O=C(CNC(=O)c1ccsc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329910331 444764825 /nfs/dbraw/zinc/76/48/25/444764825.db2.gz VSWVTOLCYDMZAF-AWEZNQCLSA-N 1 2 337.445 1.376 20 30 EDEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccccc3SCC#N)C[C@H]21 ZINC000329929382 444773549 /nfs/dbraw/zinc/77/35/49/444773549.db2.gz NLCNNQGNRJWSKU-HUUCEWRRSA-N 1 2 346.456 1.905 20 30 EDEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3ccccc3SCC#N)C[C@H]21 ZINC000329929382 444773551 /nfs/dbraw/zinc/77/35/51/444773551.db2.gz NLCNNQGNRJWSKU-HUUCEWRRSA-N 1 2 346.456 1.905 20 30 EDEDLO CN(C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C)C(=O)c1cc(C#N)c[nH]1 ZINC000342608999 444774795 /nfs/dbraw/zinc/77/47/95/444774795.db2.gz QPQXCRJEGNWSIK-ZIAGYGMSSA-N 1 2 344.394 1.304 20 30 EDEDLO C=CCOCCCC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341329152 444781032 /nfs/dbraw/zinc/78/10/32/444781032.db2.gz JNOOVDWFHBRNCA-AWEZNQCLSA-N 1 2 334.420 1.010 20 30 EDEDLO CC1(C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@]2(CCOC2)O1 ZINC000329977726 444796788 /nfs/dbraw/zinc/79/67/88/444796788.db2.gz ZZIUZWIHRWAGGL-KSSFIOAISA-N 1 2 348.447 1.944 20 30 EDEDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@H]1CC[S@@](=O)C1 ZINC000329987737 444801387 /nfs/dbraw/zinc/80/13/87/444801387.db2.gz GLGDPKSHXAKZQP-CWKPULSASA-N 1 2 326.809 1.512 20 30 EDEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)C[C@]2(CCOC2)O1 ZINC000330089145 444840257 /nfs/dbraw/zinc/84/02/57/444840257.db2.gz VLOIRSYPTAKGPL-AIANPOQGSA-N 1 2 326.437 1.780 20 30 EDEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)C[C@]2(CCOC2)O1 ZINC000330089145 444840261 /nfs/dbraw/zinc/84/02/61/444840261.db2.gz VLOIRSYPTAKGPL-AIANPOQGSA-N 1 2 326.437 1.780 20 30 EDEDLO Cc1nn(C)c(N2CCN(Cc3cn4cc(C)ccc4[nH+]3)CC2)c1C#N ZINC000342768954 444857842 /nfs/dbraw/zinc/85/78/42/444857842.db2.gz OLYOPNDGNZJNRN-UHFFFAOYSA-N 1 2 349.442 1.879 20 30 EDEDLO CCN(CCC#N)S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000336950268 444870469 /nfs/dbraw/zinc/87/04/69/444870469.db2.gz SRFPCOWOYYJQAF-UHFFFAOYSA-N 1 2 333.417 1.647 20 30 EDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC1(O)CCCCCC1 ZINC000330269517 444915387 /nfs/dbraw/zinc/91/53/87/444915387.db2.gz JKODRWWYXYQTDS-MRXNPFEDSA-N 1 2 340.512 1.553 20 30 EDEDLO COc1cc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc(OC)c1 ZINC000330358590 444950875 /nfs/dbraw/zinc/95/08/75/444950875.db2.gz VBNNNVYTAJCCKG-CVEARBPZSA-N 1 2 335.404 1.307 20 30 EDEDLO COc1cc(NC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc(OC)c1 ZINC000330358590 444950881 /nfs/dbraw/zinc/95/08/81/444950881.db2.gz VBNNNVYTAJCCKG-CVEARBPZSA-N 1 2 335.404 1.307 20 30 EDEDLO CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cn1 ZINC000330359877 444952159 /nfs/dbraw/zinc/95/21/59/444952159.db2.gz WNLCMKHJIMVSKN-BHYGNILZSA-N 1 2 349.479 1.573 20 30 EDEDLO CN(C)c1cnc(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cn1 ZINC000330333665 444940861 /nfs/dbraw/zinc/94/08/61/444940861.db2.gz PYYPHDOTSSXZEG-RISCZKNCSA-N 1 2 330.392 1.501 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)c3cnccc3C#N)c[nH+]2)CCO1 ZINC000341800108 445007675 /nfs/dbraw/zinc/00/76/75/445007675.db2.gz ILSCKWQQEZJWCA-ZDUSSCGKSA-N 1 2 337.383 1.503 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCC2(C)CC[NH+](C)CC2)cc1C#N ZINC000330777255 445136873 /nfs/dbraw/zinc/13/68/73/445136873.db2.gz KBKAKOUEVMIZKW-UHFFFAOYSA-N 1 2 334.445 1.842 20 30 EDEDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000339239851 445107859 /nfs/dbraw/zinc/10/78/59/445107859.db2.gz SQPCEWGPXPXORT-INIZCTEOSA-N 1 2 339.399 1.897 20 30 EDEDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000339239851 445107861 /nfs/dbraw/zinc/10/78/61/445107861.db2.gz SQPCEWGPXPXORT-INIZCTEOSA-N 1 2 339.399 1.897 20 30 EDEDLO COc1ccc(CNc2ccn(CC[NH+]3CCOCC3)n2)cc1C#N ZINC000344937455 445151110 /nfs/dbraw/zinc/15/11/10/445151110.db2.gz AMFSMFQKIIJMBC-UHFFFAOYSA-N 1 2 341.415 1.708 20 30 EDEDLO Cc1cc(N2CCN(S(=O)(=O)CCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000330823464 445155020 /nfs/dbraw/zinc/15/50/20/445155020.db2.gz OBYVKTJLXOUZQC-UHFFFAOYSA-N 1 2 337.449 1.274 20 30 EDEDLO CC[C@H](CC#N)NC(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000346429494 445214697 /nfs/dbraw/zinc/21/46/97/445214697.db2.gz CUXRFPFTCCIQES-IFIJOSMWSA-N 1 2 343.431 1.671 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1nc2ccccc2n1C ZINC000346441049 445215053 /nfs/dbraw/zinc/21/50/53/445215053.db2.gz XUITWZXDNNFIMP-ZDUSSCGKSA-N 1 2 325.416 1.956 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000346441049 445215055 /nfs/dbraw/zinc/21/50/55/445215055.db2.gz XUITWZXDNNFIMP-ZDUSSCGKSA-N 1 2 325.416 1.956 20 30 EDEDLO CC#CCCCC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000347517582 445240292 /nfs/dbraw/zinc/24/02/92/445240292.db2.gz PIBNUUOFTRPNOC-BEFAXECRSA-N 1 2 342.443 1.924 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000354471495 445252280 /nfs/dbraw/zinc/25/22/80/445252280.db2.gz ZQTWUSFIMMRFEZ-STQMWFEESA-N 1 2 335.429 1.252 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000354471495 445252282 /nfs/dbraw/zinc/25/22/82/445252282.db2.gz ZQTWUSFIMMRFEZ-STQMWFEESA-N 1 2 335.429 1.252 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000348367671 445269615 /nfs/dbraw/zinc/26/96/15/445269615.db2.gz SHLLDMVEEQBECD-JKSUJKDBSA-N 1 2 331.464 1.677 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000348367671 445269618 /nfs/dbraw/zinc/26/96/18/445269618.db2.gz SHLLDMVEEQBECD-JKSUJKDBSA-N 1 2 331.464 1.677 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348759856 445364659 /nfs/dbraw/zinc/36/46/59/445364659.db2.gz DAWBKBAFFHIHAQ-VIHIWDAPSA-N 1 2 348.491 1.322 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348759856 445364661 /nfs/dbraw/zinc/36/46/61/445364661.db2.gz DAWBKBAFFHIHAQ-VIHIWDAPSA-N 1 2 348.491 1.322 20 30 EDEDLO Cc1cccn2cc(CNS(=O)(=O)c3cncc(C#N)c3)[nH+]c12 ZINC000352083808 445481862 /nfs/dbraw/zinc/48/18/62/445481862.db2.gz NASLJSJUIJMYGN-UHFFFAOYSA-N 1 2 327.369 1.388 20 30 EDEDLO COC(=O)c1cc(C(C)(C)[NH2+]CC(=O)Nc2sccc2C#N)no1 ZINC000352008815 445435143 /nfs/dbraw/zinc/43/51/43/445435143.db2.gz RDMDOLZRHHZDMP-UHFFFAOYSA-N 1 2 348.384 1.858 20 30 EDEDLO COc1cc([C@H](C#N)NC(=O)CCc2c[nH+]c[nH]2)cc(OC)c1OC ZINC000355460322 445462438 /nfs/dbraw/zinc/46/24/38/445462438.db2.gz TXQFAMAYHSQDAV-ZDUSSCGKSA-N 1 2 344.371 1.749 20 30 EDEDLO COc1cc([C@H](C#N)NC(=O)CCc2c[nH]c[nH+]2)cc(OC)c1OC ZINC000355460322 445462441 /nfs/dbraw/zinc/46/24/41/445462441.db2.gz TXQFAMAYHSQDAV-ZDUSSCGKSA-N 1 2 344.371 1.749 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)no1 ZINC000349140527 445520023 /nfs/dbraw/zinc/52/00/23/445520023.db2.gz HTQGWFKAYLLKAT-AWEZNQCLSA-N 1 2 342.403 1.705 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3cc(C#N)c[nH]3)CC2)no1 ZINC000349140527 445520026 /nfs/dbraw/zinc/52/00/26/445520026.db2.gz HTQGWFKAYLLKAT-AWEZNQCLSA-N 1 2 342.403 1.705 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C#N)CCCC1 ZINC000352621247 445542774 /nfs/dbraw/zinc/54/27/74/445542774.db2.gz NWMYHXHINXADSX-AWEZNQCLSA-N 1 2 331.420 1.436 20 30 EDEDLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C#N)CCCC1 ZINC000352621247 445542778 /nfs/dbraw/zinc/54/27/78/445542778.db2.gz NWMYHXHINXADSX-AWEZNQCLSA-N 1 2 331.420 1.436 20 30 EDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1c(F)cccc1C#N ZINC000356071353 445602628 /nfs/dbraw/zinc/60/26/28/445602628.db2.gz UKCGKOBCQRNNMO-HIFRSBDPSA-N 1 2 331.391 1.561 20 30 EDEDLO CC(C)(C)C(=O)N1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000362937239 445616516 /nfs/dbraw/zinc/61/65/16/445616516.db2.gz WRVJFXIPZFNBEN-UHFFFAOYSA-N 1 2 347.463 1.223 20 30 EDEDLO CC(C)(C)C(=O)N1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000362937239 445616519 /nfs/dbraw/zinc/61/65/19/445616519.db2.gz WRVJFXIPZFNBEN-UHFFFAOYSA-N 1 2 347.463 1.223 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(F)c1 ZINC000360241765 445651257 /nfs/dbraw/zinc/65/12/57/445651257.db2.gz LHIDGUZPAAQQRE-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO N#Cc1ccc(CS(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c(F)c1 ZINC000360241765 445651260 /nfs/dbraw/zinc/65/12/60/445651260.db2.gz LHIDGUZPAAQQRE-HNNXBMFYSA-N 1 2 337.420 1.697 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(C)cc2)CC1 ZINC000363483829 445824296 /nfs/dbraw/zinc/82/42/96/445824296.db2.gz LXVOZKLJAQQRQL-UHFFFAOYSA-N 1 2 341.455 1.211 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(C)cc2)CC1 ZINC000363483829 445824299 /nfs/dbraw/zinc/82/42/99/445824299.db2.gz LXVOZKLJAQQRQL-UHFFFAOYSA-N 1 2 341.455 1.211 20 30 EDEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000350872489 445935946 /nfs/dbraw/zinc/93/59/46/445935946.db2.gz VNXBFMGEOLCLHI-WDEREUQCSA-N 1 2 338.389 1.180 20 30 EDEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000350872489 445935949 /nfs/dbraw/zinc/93/59/49/445935949.db2.gz VNXBFMGEOLCLHI-WDEREUQCSA-N 1 2 338.389 1.180 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000361724292 445898875 /nfs/dbraw/zinc/89/88/75/445898875.db2.gz FLZVWYXVLUCIOL-UHFFFAOYSA-N 1 2 346.412 1.506 20 30 EDEDLO N#CC1(CS(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC1 ZINC000354103668 445905913 /nfs/dbraw/zinc/90/59/13/445905913.db2.gz GOQSNZRPJSVFBH-UHFFFAOYSA-N 1 2 334.445 1.795 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000364818351 445958061 /nfs/dbraw/zinc/95/80/61/445958061.db2.gz YWQAHEYEBSGIQD-SJLPKXTDSA-N 1 2 346.475 1.919 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000364818351 445958065 /nfs/dbraw/zinc/95/80/65/445958065.db2.gz YWQAHEYEBSGIQD-SJLPKXTDSA-N 1 2 346.475 1.919 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000364818351 445958067 /nfs/dbraw/zinc/95/80/67/445958067.db2.gz YWQAHEYEBSGIQD-SJLPKXTDSA-N 1 2 346.475 1.919 20 30 EDEDLO C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1c1cccc(F)c1C#N ZINC000365145231 446052452 /nfs/dbraw/zinc/05/24/52/446052452.db2.gz FEGGZCMCISVEQM-LSDHHAIUSA-N 1 2 332.423 1.538 20 30 EDEDLO C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1c1cccc(F)c1C#N ZINC000365145231 446052456 /nfs/dbraw/zinc/05/24/56/446052456.db2.gz FEGGZCMCISVEQM-LSDHHAIUSA-N 1 2 332.423 1.538 20 30 EDEDLO COC1(CO)CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000373178907 446077908 /nfs/dbraw/zinc/07/79/08/446077908.db2.gz JCKAEMZQJJNPSI-ZDUSSCGKSA-N 1 2 335.429 1.198 20 30 EDEDLO CC(C)N1C(=O)N[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1=O ZINC000361929334 446078338 /nfs/dbraw/zinc/07/83/38/446078338.db2.gz RRZUJZGPLFSFMX-QGZVFWFLSA-N 1 2 330.363 1.602 20 30 EDEDLO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1=O ZINC000361929334 446078341 /nfs/dbraw/zinc/07/83/41/446078341.db2.gz RRZUJZGPLFSFMX-QGZVFWFLSA-N 1 2 330.363 1.602 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000366244405 446103719 /nfs/dbraw/zinc/10/37/19/446103719.db2.gz GURVOSAIBCYSQK-QRHJNKNDSA-N 1 2 348.447 1.442 20 30 EDEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000366244405 446103725 /nfs/dbraw/zinc/10/37/25/446103725.db2.gz GURVOSAIBCYSQK-QRHJNKNDSA-N 1 2 348.447 1.442 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000356897985 446105122 /nfs/dbraw/zinc/10/51/22/446105122.db2.gz UYFXPKVQYNYSBB-WBVHZDCISA-N 1 2 332.400 1.415 20 30 EDEDLO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000356897985 446105127 /nfs/dbraw/zinc/10/51/27/446105127.db2.gz UYFXPKVQYNYSBB-WBVHZDCISA-N 1 2 332.400 1.415 20 30 EDEDLO CC(C)(C#N)CCCC[N@@H+]1CCn2c(nn(CC(F)F)c2=O)C1 ZINC000369389484 446115596 /nfs/dbraw/zinc/11/55/96/446115596.db2.gz PMMDYTNOPMYZMQ-UHFFFAOYSA-N 1 2 327.379 1.846 20 30 EDEDLO CC(C)(C#N)CCCC[N@H+]1CCn2c(nn(CC(F)F)c2=O)C1 ZINC000369389484 446115604 /nfs/dbraw/zinc/11/56/04/446115604.db2.gz PMMDYTNOPMYZMQ-UHFFFAOYSA-N 1 2 327.379 1.846 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000369514944 446128527 /nfs/dbraw/zinc/12/85/27/446128527.db2.gz FRFVFBSGNZISRC-UHFFFAOYSA-N 1 2 334.807 1.836 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000369514944 446128531 /nfs/dbraw/zinc/12/85/31/446128531.db2.gz FRFVFBSGNZISRC-UHFFFAOYSA-N 1 2 334.807 1.836 20 30 EDEDLO CC[C@@H]1CN(CC(=O)NC2(C#N)CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000366390620 446188529 /nfs/dbraw/zinc/18/85/29/446188529.db2.gz XLWGTKHCSINCTE-IAGOWNOFSA-N 1 2 348.491 1.372 20 30 EDEDLO CC#CCCCC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000362298277 446310898 /nfs/dbraw/zinc/31/08/98/446310898.db2.gz UAORUDAVONJDNB-KRWDZBQOSA-N 1 2 333.476 1.725 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cn1 ZINC000366735650 446328541 /nfs/dbraw/zinc/32/85/41/446328541.db2.gz PXFXPZICFRJJGK-MOPGFXCFSA-N 1 2 348.406 1.679 20 30 EDEDLO N#Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cn1 ZINC000366735650 446328546 /nfs/dbraw/zinc/32/85/46/446328546.db2.gz PXFXPZICFRJJGK-MOPGFXCFSA-N 1 2 348.406 1.679 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374024339 446348660 /nfs/dbraw/zinc/34/86/60/446348660.db2.gz RFNIRDWQANYRFJ-JFIYKMOQSA-N 1 2 348.447 1.301 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374024339 446348666 /nfs/dbraw/zinc/34/86/66/446348666.db2.gz RFNIRDWQANYRFJ-JFIYKMOQSA-N 1 2 348.447 1.301 20 30 EDEDLO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000366804458 446360674 /nfs/dbraw/zinc/36/06/74/446360674.db2.gz SYVFSBCZHLUHPI-UHFFFAOYSA-N 1 2 349.479 1.312 20 30 EDEDLO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000366804458 446360677 /nfs/dbraw/zinc/36/06/77/446360677.db2.gz SYVFSBCZHLUHPI-UHFFFAOYSA-N 1 2 349.479 1.312 20 30 EDEDLO C#C[C@H](NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C)C(C)C ZINC000367179077 446519433 /nfs/dbraw/zinc/51/94/33/446519433.db2.gz DIHOCECOSYRJOT-RVKKMQEKSA-N 1 2 344.459 1.884 20 30 EDEDLO CCN1CCN(C(=O)c2ncc(C#N)cc2Cl)C[C@H]1c1[nH]cc[nH+]1 ZINC000433485191 446581139 /nfs/dbraw/zinc/58/11/39/446581139.db2.gz XXKXYTMFBINXDH-ZDUSSCGKSA-N 1 2 344.806 1.849 20 30 EDEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376593927 446596319 /nfs/dbraw/zinc/59/63/19/446596319.db2.gz BILKXWOOMCWDMX-ZDUSSCGKSA-N 1 2 329.404 1.173 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](CO)O1 ZINC000434981099 446671747 /nfs/dbraw/zinc/67/17/47/446671747.db2.gz IGADHRYEOCNVEV-RHSMWYFYSA-N 1 2 341.415 1.440 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](CO)O1 ZINC000434981099 446671750 /nfs/dbraw/zinc/67/17/50/446671750.db2.gz IGADHRYEOCNVEV-RHSMWYFYSA-N 1 2 341.415 1.440 20 30 EDEDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000420446736 446623467 /nfs/dbraw/zinc/62/34/67/446623467.db2.gz UATJKAQKCTXNIU-ZDUSSCGKSA-N 1 2 331.800 1.534 20 30 EDEDLO C=C(C)COCCNC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000435304021 446685412 /nfs/dbraw/zinc/68/54/12/446685412.db2.gz DJNNCLUUJKXGNP-INIZCTEOSA-N 1 2 325.453 1.331 20 30 EDEDLO C=C(C)COCCNC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000435304021 446685418 /nfs/dbraw/zinc/68/54/18/446685418.db2.gz DJNNCLUUJKXGNP-INIZCTEOSA-N 1 2 325.453 1.331 20 30 EDEDLO N#CCOc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000368304274 446771728 /nfs/dbraw/zinc/77/17/28/446771728.db2.gz LKWWJEPSBPWHLC-KRWDZBQOSA-N 1 2 344.415 1.251 20 30 EDEDLO N#CCOc1ccc(CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000368304274 446771733 /nfs/dbraw/zinc/77/17/33/446771733.db2.gz LKWWJEPSBPWHLC-KRWDZBQOSA-N 1 2 344.415 1.251 20 30 EDEDLO COc1cc(CNc2ccn(CC[NH+]3CCOCC3)n2)ccc1C#N ZINC000440625102 446848369 /nfs/dbraw/zinc/84/83/69/446848369.db2.gz NHTXKYPJNDYEJR-UHFFFAOYSA-N 1 2 341.415 1.708 20 30 EDEDLO C=C(C)COCCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443012901 446996660 /nfs/dbraw/zinc/99/66/60/446996660.db2.gz LEOXKENDXBBFTD-UHFFFAOYSA-N 1 2 335.429 1.802 20 30 EDEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)N2CCN(C)[C@@H](C#N)C2)c1 ZINC000368707196 447054636 /nfs/dbraw/zinc/05/46/36/447054636.db2.gz OYBKCIPJZWDCOZ-INIZCTEOSA-N 1 2 338.415 1.436 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)CC(C)(C)C#N ZINC000377308396 447055975 /nfs/dbraw/zinc/05/59/75/447055975.db2.gz WWTBVCPDXGGSNA-KBPBESRZSA-N 1 2 335.427 1.731 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000375800442 447062219 /nfs/dbraw/zinc/06/22/19/447062219.db2.gz ANZRUIQNLOQEIZ-AWEZNQCLSA-N 1 2 347.415 1.550 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000375800442 447062224 /nfs/dbraw/zinc/06/22/24/447062224.db2.gz ANZRUIQNLOQEIZ-AWEZNQCLSA-N 1 2 347.415 1.550 20 30 EDEDLO N#Cc1cccc([N+](=O)[O-])c1Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000425232377 447072975 /nfs/dbraw/zinc/07/29/75/447072975.db2.gz UKUIAEWBRFGXQN-UHFFFAOYSA-N 1 2 342.359 1.739 20 30 EDEDLO Cc1cc(NCc2cccc(N3CCCS3(=O)=O)c2)c(C#N)c[nH+]1 ZINC000425236032 447074533 /nfs/dbraw/zinc/07/45/33/447074533.db2.gz FFXGXOUNVSACIM-UHFFFAOYSA-N 1 2 342.424 1.836 20 30 EDEDLO Cc1cc(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)cc(C)[nH+]1 ZINC000421245000 447080548 /nfs/dbraw/zinc/08/05/48/447080548.db2.gz GONHTXMLEDBOLZ-UHFFFAOYSA-N 1 2 334.379 1.776 20 30 EDEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000368750003 447084249 /nfs/dbraw/zinc/08/42/49/447084249.db2.gz LEOCHMUHACVAJV-MRXNPFEDSA-N 1 2 344.390 1.124 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1CNc1nc2cc(OC)c(OC)cc2c(N)[nH+]1 ZINC000425289470 447097883 /nfs/dbraw/zinc/09/78/83/447097883.db2.gz ZONUCYIYGLYSBD-GWCFXTLKSA-N 1 2 330.388 1.654 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c1 ZINC000377495343 447164645 /nfs/dbraw/zinc/16/46/45/447164645.db2.gz NWPWRDHLSANREI-IMJJTQAJSA-N 1 2 326.400 1.615 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c1 ZINC000377495343 447164649 /nfs/dbraw/zinc/16/46/49/447164649.db2.gz NWPWRDHLSANREI-IMJJTQAJSA-N 1 2 326.400 1.615 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000372640089 447201824 /nfs/dbraw/zinc/20/18/24/447201824.db2.gz PBXGMFAMXUPVMW-YJBOKZPZSA-N 1 2 337.464 1.028 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1nc(C2CC2)no1 ZINC000425538939 447217734 /nfs/dbraw/zinc/21/77/34/447217734.db2.gz SWFPTZLUWZJJMU-LLVKDONJSA-N 1 2 325.372 1.872 20 30 EDEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1nc(C2CC2)no1 ZINC000425538939 447217741 /nfs/dbraw/zinc/21/77/41/447217741.db2.gz SWFPTZLUWZJJMU-LLVKDONJSA-N 1 2 325.372 1.872 20 30 EDEDLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 ZINC000372755234 447270044 /nfs/dbraw/zinc/27/00/44/447270044.db2.gz AXBMFTGYTYKPJC-QGZVFWFLSA-N 1 2 334.379 1.813 20 30 EDEDLO C=CCC[C@H]1NC(=O)N(C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1=O ZINC000419960255 447516035 /nfs/dbraw/zinc/51/60/35/447516035.db2.gz XSOYVFQRRAQTMT-SJORKVTESA-N 1 2 343.427 1.947 20 30 EDEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000408080435 447627940 /nfs/dbraw/zinc/62/79/40/447627940.db2.gz BSTKMEVUMAGNBV-QWRGUYRKSA-N 1 2 327.837 1.925 20 30 EDEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000408080435 447627945 /nfs/dbraw/zinc/62/79/45/447627945.db2.gz BSTKMEVUMAGNBV-QWRGUYRKSA-N 1 2 327.837 1.925 20 30 EDEDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC12COC2 ZINC000459484750 447683428 /nfs/dbraw/zinc/68/34/28/447683428.db2.gz HVIXLGMVCAVXCZ-CQSZACIVSA-N 1 2 345.355 1.478 20 30 EDEDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC12COC2 ZINC000459484750 447683434 /nfs/dbraw/zinc/68/34/34/447683434.db2.gz HVIXLGMVCAVXCZ-CQSZACIVSA-N 1 2 345.355 1.478 20 30 EDEDLO CC[C@@H]1C[N@H+](CC)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000451740497 447748210 /nfs/dbraw/zinc/74/82/10/447748210.db2.gz MDYPDPYKKSXRFA-OAHLLOKOSA-N 1 2 336.461 1.143 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000451740497 447748214 /nfs/dbraw/zinc/74/82/14/447748214.db2.gz MDYPDPYKKSXRFA-OAHLLOKOSA-N 1 2 336.461 1.143 20 30 EDEDLO C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)c1cccc(C#N)c1 ZINC000462455017 447799482 /nfs/dbraw/zinc/79/94/82/447799482.db2.gz MHOOXQCUNGWZEN-IIDMSEBBSA-N 1 2 327.428 1.983 20 30 EDEDLO CO[C@@H]1C[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1OC ZINC000487991442 447840278 /nfs/dbraw/zinc/84/02/78/447840278.db2.gz SYNXGRWUMFPRGA-COLVAYQJSA-N 1 2 337.807 1.884 20 30 EDEDLO CO[C@@H]1C[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1OC ZINC000488084191 447841778 /nfs/dbraw/zinc/84/17/78/447841778.db2.gz CDESUAKQCXAADB-QZTJIDSGSA-N 1 2 345.443 1.896 20 30 EDEDLO CO[C@@H]1C[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H]1OC ZINC000488099564 447842038 /nfs/dbraw/zinc/84/20/38/447842038.db2.gz XMKQOZPQKYNFNX-KBRIMQKVSA-N 1 2 349.406 1.806 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000530337567 447863200 /nfs/dbraw/zinc/86/32/00/447863200.db2.gz NTMBTRPKASSIHZ-HNNXBMFYSA-N 1 2 327.432 1.150 20 30 EDEDLO COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000490044586 447886979 /nfs/dbraw/zinc/88/69/79/447886979.db2.gz SDVNJDLASNHWBX-OAHLLOKOSA-N 1 2 338.429 1.069 20 30 EDEDLO COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000490044586 447886983 /nfs/dbraw/zinc/88/69/83/447886983.db2.gz SDVNJDLASNHWBX-OAHLLOKOSA-N 1 2 338.429 1.069 20 30 EDEDLO C#CC(C)(C)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000490830108 447897973 /nfs/dbraw/zinc/89/79/73/447897973.db2.gz IJDBCNUMDHRHRI-UHFFFAOYSA-N 1 2 328.416 1.038 20 30 EDEDLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)C#CC2CC2)CC1 ZINC000496827005 447946741 /nfs/dbraw/zinc/94/67/41/447946741.db2.gz IDYWQJPIHCIZEK-UHFFFAOYSA-N 1 2 335.448 1.459 20 30 EDEDLO C#CCn1ccc(CN(CC)C(=O)c2ccc(-n3cc[nH+]c3)nn2)n1 ZINC000491327435 447995872 /nfs/dbraw/zinc/99/58/72/447995872.db2.gz VJWRPDYLSKGRBJ-UHFFFAOYSA-N 1 2 335.371 1.154 20 30 EDEDLO C=CCn1c(CC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000570413102 448009066 /nfs/dbraw/zinc/00/90/66/448009066.db2.gz VDUZVUZRDVXESO-OAHLLOKOSA-N 1 2 346.479 1.159 20 30 EDEDLO C#C[C@@H](C)[N@@H+](C)CC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1 ZINC000491525221 448053965 /nfs/dbraw/zinc/05/39/65/448053965.db2.gz QUXHPHMWJPMIGO-IAQYHMDHSA-N 1 2 331.372 1.404 20 30 EDEDLO C#C[C@@H](C)[N@H+](C)CC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1 ZINC000491525221 448053969 /nfs/dbraw/zinc/05/39/69/448053969.db2.gz QUXHPHMWJPMIGO-IAQYHMDHSA-N 1 2 331.372 1.404 20 30 EDEDLO C#C[C@H](CC)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000491525864 448054446 /nfs/dbraw/zinc/05/44/46/448054446.db2.gz VWRGNLOLQRQYIO-OFQRWUPVSA-N 1 2 330.432 1.906 20 30 EDEDLO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1C#N ZINC000571756675 448199120 /nfs/dbraw/zinc/19/91/20/448199120.db2.gz BQEATEYGGMMTFL-AWEZNQCLSA-N 1 2 331.416 1.497 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1C#N ZINC000571756675 448199127 /nfs/dbraw/zinc/19/91/27/448199127.db2.gz BQEATEYGGMMTFL-AWEZNQCLSA-N 1 2 331.416 1.497 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000562875932 448272018 /nfs/dbraw/zinc/27/20/18/448272018.db2.gz UNCSJMDLOPQEHJ-CVEARBPZSA-N 1 2 349.435 1.070 20 30 EDEDLO CCc1nc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)nn1-c1ccccc1F ZINC000565050441 448353096 /nfs/dbraw/zinc/35/30/96/448353096.db2.gz CLAMISBVOWEZOE-KRWDZBQOSA-N 1 2 344.394 1.542 20 30 EDEDLO C=CCCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000493335339 448384487 /nfs/dbraw/zinc/38/44/87/448384487.db2.gz BNZQPTFAPVFNPO-ZDUSSCGKSA-N 1 2 347.481 1.033 20 30 EDEDLO C=CCCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000493335339 448384495 /nfs/dbraw/zinc/38/44/95/448384495.db2.gz BNZQPTFAPVFNPO-ZDUSSCGKSA-N 1 2 347.481 1.033 20 30 EDEDLO COC(=O)[C@H](CC[NH+]1CCN(C(=O)CC#N)CC1)c1ccccc1 ZINC000565784611 448380479 /nfs/dbraw/zinc/38/04/79/448380479.db2.gz YYUNRZZJORIBLL-MRXNPFEDSA-N 1 2 329.400 1.391 20 30 EDEDLO CNC(=O)[C@]1(COC)CCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000591646279 448428390 /nfs/dbraw/zinc/42/83/90/448428390.db2.gz HTABKKGKCLMTPR-GOSISDBHSA-N 1 2 326.400 1.538 20 30 EDEDLO CNC(=O)[C@]1(COC)CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000591646279 448428396 /nfs/dbraw/zinc/42/83/96/448428396.db2.gz HTABKKGKCLMTPR-GOSISDBHSA-N 1 2 326.400 1.538 20 30 EDEDLO COc1cc([C@@H](C#N)NC(=O)C[NH+]2CC(C)(C)C2)cc(OC)c1OC ZINC000584731079 448613909 /nfs/dbraw/zinc/61/39/09/448613909.db2.gz XCBATHQWUOEYLO-CYBMUJFWSA-N 1 2 347.415 1.735 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000578775961 448635703 /nfs/dbraw/zinc/63/57/03/448635703.db2.gz PXTLVUBTHRQQEH-OBQMCRIKSA-N 1 2 337.464 1.701 20 30 EDEDLO CCN1CCN(c2ccc(C(=O)OC)nc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000518564650 448693529 /nfs/dbraw/zinc/69/35/29/448693529.db2.gz UNKBASHBGXLNID-HNNXBMFYSA-N 1 2 340.387 1.346 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147287 448707293 /nfs/dbraw/zinc/70/72/93/448707293.db2.gz NFRCZKUVIBLLJK-SIIHOXLZSA-N 1 2 329.400 1.365 20 30 EDEDLO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147287 448707296 /nfs/dbraw/zinc/70/72/96/448707296.db2.gz NFRCZKUVIBLLJK-SIIHOXLZSA-N 1 2 329.400 1.365 20 30 EDEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000592148883 448708600 /nfs/dbraw/zinc/70/86/00/448708600.db2.gz DJSANRVMRFOLRA-YVEFUNNKSA-N 1 2 333.388 1.340 20 30 EDEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000592148883 448708604 /nfs/dbraw/zinc/70/86/04/448708604.db2.gz DJSANRVMRFOLRA-YVEFUNNKSA-N 1 2 333.388 1.340 20 30 EDEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150745 448711709 /nfs/dbraw/zinc/71/17/09/448711709.db2.gz IJUCHVHIZLOMML-KBXCAEBGSA-N 1 2 331.416 1.565 20 30 EDEDLO COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150745 448711716 /nfs/dbraw/zinc/71/17/16/448711716.db2.gz IJUCHVHIZLOMML-KBXCAEBGSA-N 1 2 331.416 1.565 20 30 EDEDLO C=C[C@@H](C(=O)OC)N(C)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000586776482 448809163 /nfs/dbraw/zinc/80/91/63/448809163.db2.gz IMMUFLCEBQLLQP-SFHVURJKSA-N 1 2 331.460 1.464 20 30 EDEDLO C=CCn1cc(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)nn1 ZINC000579347942 448772501 /nfs/dbraw/zinc/77/25/01/448772501.db2.gz VRRHATLLJJOVOE-DZGCQCFKSA-N 1 2 329.408 1.453 20 30 EDEDLO COCc1ccc(NC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1C#N ZINC000529210788 448790838 /nfs/dbraw/zinc/79/08/38/448790838.db2.gz SKONIJFYCNDRLC-UHFFFAOYSA-N 1 2 346.431 1.937 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000567995836 448795848 /nfs/dbraw/zinc/79/58/48/448795848.db2.gz WOEUJVNVZCKSDS-INIZCTEOSA-N 1 2 329.360 1.510 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000519678613 448816103 /nfs/dbraw/zinc/81/61/03/448816103.db2.gz GIVYSBHDYMUCHJ-KRWDZBQOSA-N 1 2 327.388 1.629 20 30 EDEDLO Cc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)nn1-c1ccc(F)cc1 ZINC000574280347 448835408 /nfs/dbraw/zinc/83/54/08/448835408.db2.gz FRXVBFJZODWDLN-QGZVFWFLSA-N 1 2 329.379 1.894 20 30 EDEDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000574288429 448837382 /nfs/dbraw/zinc/83/73/82/448837382.db2.gz NIPKVUSPWDWKGS-HNNXBMFYSA-N 1 2 328.416 1.091 20 30 EDEDLO COc1cc(C#N)ccc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000546708003 448844003 /nfs/dbraw/zinc/84/40/03/448844003.db2.gz RAHLOIATOJYWGM-STQMWFEESA-N 1 2 332.404 1.798 20 30 EDEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592521878 448876505 /nfs/dbraw/zinc/87/65/05/448876505.db2.gz CLSJJDHHERSSTC-ZDUSSCGKSA-N 1 2 332.326 1.520 20 30 EDEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592521878 448876510 /nfs/dbraw/zinc/87/65/10/448876510.db2.gz CLSJJDHHERSSTC-ZDUSSCGKSA-N 1 2 332.326 1.520 20 30 EDEDLO Cc1cccc([C@H](CNC(=O)NCC2(C#N)CC2)[NH+]2CCOCC2)c1 ZINC000569066389 448956016 /nfs/dbraw/zinc/95/60/16/448956016.db2.gz DOVSIDBIPWDQGT-KRWDZBQOSA-N 1 2 342.443 1.971 20 30 EDEDLO Cc1cc(NCCNC(=O)c2ccc(C#N)n2C)nc(C(C)C)[nH+]1 ZINC000529845297 448982750 /nfs/dbraw/zinc/98/27/50/448982750.db2.gz QEXDLNBRSKFMGE-UHFFFAOYSA-N 1 2 326.404 1.961 20 30 EDEDLO COC(=O)[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2OC)C[C@H](C)O1 ZINC000593087582 449127965 /nfs/dbraw/zinc/12/79/65/449127965.db2.gz RZEBANVUIUBHMT-LRDDRELGSA-N 1 2 334.372 1.208 20 30 EDEDLO COC(=O)[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2OC)C[C@H](C)O1 ZINC000593087582 449127968 /nfs/dbraw/zinc/12/79/68/449127968.db2.gz RZEBANVUIUBHMT-LRDDRELGSA-N 1 2 334.372 1.208 20 30 EDEDLO C[C@H](C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000593154217 449154183 /nfs/dbraw/zinc/15/41/83/449154183.db2.gz AIIGXQKYFVEZQM-LRDDRELGSA-N 1 2 337.445 1.154 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595737167 449138509 /nfs/dbraw/zinc/13/85/09/449138509.db2.gz GQYCHXDEBHXSEJ-JSGCOSHPSA-N 1 2 346.818 1.751 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595737167 449138513 /nfs/dbraw/zinc/13/85/13/449138513.db2.gz GQYCHXDEBHXSEJ-JSGCOSHPSA-N 1 2 346.818 1.751 20 30 EDEDLO N#Cc1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cnc1C(F)(F)F ZINC000590374881 449139198 /nfs/dbraw/zinc/13/91/98/449139198.db2.gz PUDHMDHCYRJRJW-LLVKDONJSA-N 1 2 335.289 1.913 20 30 EDEDLO N#Cc1c[nH]c(C(=O)N(CC[NH+]2CCOCC2)[C@H]2CCSC2)c1 ZINC000590388842 449143552 /nfs/dbraw/zinc/14/35/52/449143552.db2.gz OPNASBGOVHGABV-AWEZNQCLSA-N 1 2 334.445 1.166 20 30 EDEDLO COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000595806489 449178493 /nfs/dbraw/zinc/17/84/93/449178493.db2.gz XTMVCDPDEHEFNP-GOSISDBHSA-N 1 2 348.399 1.600 20 30 EDEDLO COC[C@@]1(C(=O)OC)CCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000595806489 449178499 /nfs/dbraw/zinc/17/84/99/449178499.db2.gz XTMVCDPDEHEFNP-GOSISDBHSA-N 1 2 348.399 1.600 20 30 EDEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842405 449202493 /nfs/dbraw/zinc/20/24/93/449202493.db2.gz ZQMIDHVPHIGCBV-LBTNJELSSA-N 1 2 329.400 1.567 20 30 EDEDLO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842405 449202499 /nfs/dbraw/zinc/20/24/99/449202499.db2.gz ZQMIDHVPHIGCBV-LBTNJELSSA-N 1 2 329.400 1.567 20 30 EDEDLO N#CCC1CN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000598035286 449206321 /nfs/dbraw/zinc/20/63/21/449206321.db2.gz JAYUKLMPRBDXAN-UHFFFAOYSA-N 1 2 337.383 1.898 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000611194940 449210734 /nfs/dbraw/zinc/21/07/34/449210734.db2.gz PHLXOPWLKAPTDN-NXEZZACHSA-N 1 2 347.444 1.178 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000611194940 449210741 /nfs/dbraw/zinc/21/07/41/449210741.db2.gz PHLXOPWLKAPTDN-NXEZZACHSA-N 1 2 347.444 1.178 20 30 EDEDLO CCOC(=O)C12CC(C1)C[N@@H+]2C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000595861361 449212895 /nfs/dbraw/zinc/21/28/95/449212895.db2.gz UJTNLUOKHJSJSX-KOHRHEQBSA-N 1 2 344.411 1.520 20 30 EDEDLO CCOC(=O)C12CC(C1)C[N@H+]2C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000595861361 449212901 /nfs/dbraw/zinc/21/29/01/449212901.db2.gz UJTNLUOKHJSJSX-KOHRHEQBSA-N 1 2 344.411 1.520 20 30 EDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000595865533 449217876 /nfs/dbraw/zinc/21/78/76/449217876.db2.gz ADPGJOQRAVJDSK-NHYWBVRUSA-N 1 2 325.359 1.596 20 30 EDEDLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000595828642 449191552 /nfs/dbraw/zinc/19/15/52/449191552.db2.gz UTWSTYYNFXNHAW-AWEZNQCLSA-N 1 2 335.452 1.017 20 30 EDEDLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000595828642 449191559 /nfs/dbraw/zinc/19/15/59/449191559.db2.gz UTWSTYYNFXNHAW-AWEZNQCLSA-N 1 2 335.452 1.017 20 30 EDEDLO CSc1cc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccn1 ZINC000611246746 449237712 /nfs/dbraw/zinc/23/77/12/449237712.db2.gz JSPSUPMQFSFVMQ-UHFFFAOYSA-N 1 2 349.460 1.883 20 30 EDEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000593383542 449254639 /nfs/dbraw/zinc/25/46/39/449254639.db2.gz GLFROEZMKNLINI-CQSZACIVSA-N 1 2 331.416 1.898 20 30 EDEDLO COCCOCC[NH+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000593887849 449265043 /nfs/dbraw/zinc/26/50/43/449265043.db2.gz YNDBGIWUMCQZKA-GOSISDBHSA-N 1 2 335.448 1.268 20 30 EDEDLO N#Cc1cc(C[N@H+](CCN2CCOCC2)Cc2ccco2)ccn1 ZINC000590765214 449285550 /nfs/dbraw/zinc/28/55/50/449285550.db2.gz URJLJTDTWBSLLR-UHFFFAOYSA-N 1 2 326.400 1.881 20 30 EDEDLO N#Cc1cc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)ccn1 ZINC000590765214 449285554 /nfs/dbraw/zinc/28/55/54/449285554.db2.gz URJLJTDTWBSLLR-UHFFFAOYSA-N 1 2 326.400 1.881 20 30 EDEDLO CCc1c[nH]c(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[nH+]1 ZINC000602097154 449341540 /nfs/dbraw/zinc/34/15/40/449341540.db2.gz MVOAVTMRXIGYNB-KRWDZBQOSA-N 1 2 337.427 1.751 20 30 EDEDLO N#CC1(CC(=O)NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)CC1 ZINC000598364077 449363051 /nfs/dbraw/zinc/36/30/51/449363051.db2.gz JTTDFIYOSCWFGH-IBGZPJMESA-N 1 2 343.427 1.060 20 30 EDEDLO N#CC1(CC(=O)NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)CC1 ZINC000598364077 449363057 /nfs/dbraw/zinc/36/30/57/449363057.db2.gz JTTDFIYOSCWFGH-IBGZPJMESA-N 1 2 343.427 1.060 20 30 EDEDLO COC(=O)Cc1cc[nH+]c(N2CCN(c3ccccc3C#N)CC2)c1 ZINC000596102727 449363567 /nfs/dbraw/zinc/36/35/67/449363567.db2.gz WVHYZGRWIMYKOH-UHFFFAOYSA-N 1 2 336.395 1.995 20 30 EDEDLO Cc1cc(N2CC[NH+](Cc3cnn(C)c3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596114850 449369083 /nfs/dbraw/zinc/36/90/83/449369083.db2.gz HULAUVYEPUQNFM-UHFFFAOYSA-N 1 2 340.387 1.831 20 30 EDEDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C(=O)CCCCC#N)CC1 ZINC000594224237 449397088 /nfs/dbraw/zinc/39/70/88/449397088.db2.gz SYWNREKQZAZVPR-INIZCTEOSA-N 1 2 334.464 1.616 20 30 EDEDLO C[C@]1(C#N)CCCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000612036885 449532753 /nfs/dbraw/zinc/53/27/53/449532753.db2.gz WXEWLUHGETWBTK-GOSISDBHSA-N 1 2 343.431 1.753 20 30 EDEDLO CN(C)[C@H](C(=O)N1CCc2c(CC#N)cccc2C1)c1c[nH+]cn1C ZINC000600787610 449547090 /nfs/dbraw/zinc/54/70/90/449547090.db2.gz BJLHKIGUSMDHSG-SFHVURJKSA-N 1 2 337.427 1.674 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)n1C ZINC000602435871 449585474 /nfs/dbraw/zinc/58/54/74/449585474.db2.gz LOLMLXOOAMQZOM-UHFFFAOYSA-N 1 2 339.399 1.401 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC000598837369 449614502 /nfs/dbraw/zinc/61/45/02/449614502.db2.gz VSJNNAGRBSXVJC-UGSOOPFHSA-N 1 2 346.406 1.529 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccnn1CCc1ccccc1 ZINC000598837574 449615249 /nfs/dbraw/zinc/61/52/49/449615249.db2.gz XAJDIYXAUJAZAX-SFHVURJKSA-N 1 2 325.416 1.699 20 30 EDEDLO N#CCc1ccccc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000601035322 449667402 /nfs/dbraw/zinc/66/74/02/449667402.db2.gz FHIYHDOLZVPYQS-UHFFFAOYSA-N 1 2 339.399 1.534 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](Cc3cc4c(cn3)OCCO4)CC2)n1 ZINC000602615941 449707684 /nfs/dbraw/zinc/70/76/84/449707684.db2.gz JGVNNKAAXCZJBN-UHFFFAOYSA-N 1 2 337.383 1.442 20 30 EDEDLO N#Cc1cccc(N2CCN(Cc3cc4c(c[nH+]3)OCCO4)CC2)n1 ZINC000602615941 449707692 /nfs/dbraw/zinc/70/76/92/449707692.db2.gz JGVNNKAAXCZJBN-UHFFFAOYSA-N 1 2 337.383 1.442 20 30 EDEDLO N#Cc1cnc(N2CC[NH+](CC(=O)NC3CC3)CC2)c2sccc21 ZINC000601101416 449690755 /nfs/dbraw/zinc/69/07/55/449690755.db2.gz QWXARKHIAGDAEK-UHFFFAOYSA-N 1 2 341.440 1.569 20 30 EDEDLO COc1ccccc1-n1nccc1C[NH+]1CCN(CCC#N)CC1 ZINC000602747912 449783259 /nfs/dbraw/zinc/78/32/59/449783259.db2.gz IYDFVNJZRKVNLN-UHFFFAOYSA-N 1 2 325.416 1.912 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCc1cccnc1 ZINC000597019595 449770457 /nfs/dbraw/zinc/77/04/57/449770457.db2.gz CHVZOVBASUAXEQ-UHFFFAOYSA-N 1 2 330.432 1.479 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+]([C@H]3CCN(C4CCC4)C3=O)CC2)c1 ZINC000602762459 449789344 /nfs/dbraw/zinc/78/93/44/449789344.db2.gz ISAABBUTPFCZAB-INIZCTEOSA-N 1 2 325.416 1.229 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000612666599 449822701 /nfs/dbraw/zinc/82/27/01/449822701.db2.gz LRGOJBGFZULLMD-INIZCTEOSA-N 1 2 346.431 1.636 20 30 EDEDLO CCOc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854233 449860908 /nfs/dbraw/zinc/86/09/08/449860908.db2.gz AZAMCSXOOUROKQ-GASCZTMLSA-N 1 2 330.432 1.942 20 30 EDEDLO CCOc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854233 449860911 /nfs/dbraw/zinc/86/09/11/449860911.db2.gz AZAMCSXOOUROKQ-GASCZTMLSA-N 1 2 330.432 1.942 20 30 EDEDLO Cc1ccc(CNC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1F ZINC000602855328 449862407 /nfs/dbraw/zinc/86/24/07/449862407.db2.gz GRWBMXPZDXYZSQ-GJZGRUSLSA-N 1 2 332.423 1.669 20 30 EDEDLO COc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856563 449864987 /nfs/dbraw/zinc/86/49/87/449864987.db2.gz KVLCNDUEQHQXSC-KKUMJFAQSA-N 1 2 330.432 1.940 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602856964 449866257 /nfs/dbraw/zinc/86/62/57/449866257.db2.gz NGVQUEYQJNNQDD-IYBDPMFKSA-N 1 2 344.459 1.572 20 30 EDEDLO COc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602856964 449866261 /nfs/dbraw/zinc/86/62/61/449866261.db2.gz NGVQUEYQJNNQDD-IYBDPMFKSA-N 1 2 344.459 1.572 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602863266 449873746 /nfs/dbraw/zinc/87/37/46/449873746.db2.gz PGJUIYRXQOINBO-RWMBFGLXSA-N 1 2 335.839 1.980 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000601374000 449888791 /nfs/dbraw/zinc/88/87/91/449888791.db2.gz KNMBPOMKXLJRLN-SMDDNHRTSA-N 1 2 341.408 1.003 20 30 EDEDLO Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000601374000 449888793 /nfs/dbraw/zinc/88/87/93/449888793.db2.gz KNMBPOMKXLJRLN-SMDDNHRTSA-N 1 2 341.408 1.003 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000617938933 449941531 /nfs/dbraw/zinc/94/15/31/449941531.db2.gz GGKUNGOOXWPIMH-UHFFFAOYSA-N 1 2 345.794 1.776 20 30 EDEDLO N#Cc1nc(C2CC2)oc1N1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000617938933 449941535 /nfs/dbraw/zinc/94/15/35/449941535.db2.gz GGKUNGOOXWPIMH-UHFFFAOYSA-N 1 2 345.794 1.776 20 30 EDEDLO CCOC(=O)[C@H]1CCC[N@@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000599360451 449918343 /nfs/dbraw/zinc/91/83/43/449918343.db2.gz NETAJZIKPSFCLY-MRXNPFEDSA-N 1 2 340.379 1.314 20 30 EDEDLO CCOC(=O)[C@H]1CCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O ZINC000599360451 449918347 /nfs/dbraw/zinc/91/83/47/449918347.db2.gz NETAJZIKPSFCLY-MRXNPFEDSA-N 1 2 340.379 1.314 20 30 EDEDLO CCOC(=O)C[C@H](O)C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000599367735 449923024 /nfs/dbraw/zinc/92/30/24/449923024.db2.gz YVTMXWXJAAVGFQ-DLBZAZTESA-N 1 2 349.406 1.322 20 30 EDEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000609134727 449965221 /nfs/dbraw/zinc/96/52/21/449965221.db2.gz MWPQXJYVAVYZEI-CYBMUJFWSA-N 1 2 334.376 1.920 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000601451173 449974739 /nfs/dbraw/zinc/97/47/39/449974739.db2.gz TVHQPRNKZZZSMI-HNNXBMFYSA-N 1 2 348.472 1.283 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000601451173 449974746 /nfs/dbraw/zinc/97/47/46/449974746.db2.gz TVHQPRNKZZZSMI-HNNXBMFYSA-N 1 2 348.472 1.283 20 30 EDEDLO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc1 ZINC000599444071 449979568 /nfs/dbraw/zinc/97/95/68/449979568.db2.gz PJWGCTGXCQCZCJ-UGSOOPFHSA-N 1 2 346.431 1.743 20 30 EDEDLO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc1 ZINC000599444071 449979574 /nfs/dbraw/zinc/97/95/74/449979574.db2.gz PJWGCTGXCQCZCJ-UGSOOPFHSA-N 1 2 346.431 1.743 20 30 EDEDLO N#CC1(CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CCCCC1 ZINC000597400908 450000650 /nfs/dbraw/zinc/00/06/50/450000650.db2.gz IFNWWSNMBLFLIQ-UHFFFAOYSA-N 1 2 343.431 1.637 20 30 EDEDLO CCN1CC[C@H]([NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)C1=O ZINC000595297103 450011670 /nfs/dbraw/zinc/01/16/70/450011670.db2.gz BESYTPAQYAFGED-SFHVURJKSA-N 1 2 349.438 1.849 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000599499186 450025031 /nfs/dbraw/zinc/02/50/31/450025031.db2.gz XCTHSFUULDZQQX-MRXNPFEDSA-N 1 2 325.409 1.194 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000599499186 450025036 /nfs/dbraw/zinc/02/50/36/450025036.db2.gz XCTHSFUULDZQQX-MRXNPFEDSA-N 1 2 325.409 1.194 20 30 EDEDLO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676454 450145830 /nfs/dbraw/zinc/14/58/30/450145830.db2.gz RNBJDTSBWUFSOA-UHFFFAOYSA-N 1 2 328.416 1.735 20 30 EDEDLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676454 450145833 /nfs/dbraw/zinc/14/58/33/450145833.db2.gz RNBJDTSBWUFSOA-UHFFFAOYSA-N 1 2 328.416 1.735 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599669351 450141630 /nfs/dbraw/zinc/14/16/30/450141630.db2.gz OADDDFXKUHXONH-WFASDCNBSA-N 1 2 345.399 1.159 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599669351 450141632 /nfs/dbraw/zinc/14/16/32/450141632.db2.gz OADDDFXKUHXONH-WFASDCNBSA-N 1 2 345.399 1.159 20 30 EDEDLO Cc1[nH]c(C#N)cc1C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000597677626 450189160 /nfs/dbraw/zinc/18/91/60/450189160.db2.gz GSESGDTVDCEKMY-HNNXBMFYSA-N 1 2 348.472 1.475 20 30 EDEDLO Cn1cc(C#N)c(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000610561958 450261462 /nfs/dbraw/zinc/26/14/62/450261462.db2.gz TYJWSPOHHVVDLT-UHFFFAOYSA-N 1 2 339.334 1.938 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619775110 450331397 /nfs/dbraw/zinc/33/13/97/450331397.db2.gz PYYWROGHYNLZFT-UHFFFAOYSA-N 1 2 336.823 1.284 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619775110 450331403 /nfs/dbraw/zinc/33/14/03/450331403.db2.gz PYYWROGHYNLZFT-UHFFFAOYSA-N 1 2 336.823 1.284 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619759493 450327955 /nfs/dbraw/zinc/32/79/55/450327955.db2.gz NWAPJJFTKCKBHU-GFCCVEGCSA-N 1 2 336.823 1.732 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619759493 450327959 /nfs/dbraw/zinc/32/79/59/450327959.db2.gz NWAPJJFTKCKBHU-GFCCVEGCSA-N 1 2 336.823 1.732 20 30 EDEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000618893468 450328439 /nfs/dbraw/zinc/32/84/39/450328439.db2.gz MHCDUTHHBZAYIN-QGZVFWFLSA-N 1 2 325.412 1.917 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(C#N)cc1F ZINC000619032907 450384088 /nfs/dbraw/zinc/38/40/88/450384088.db2.gz MKVGEQWDDPOCAU-CYBMUJFWSA-N 1 2 334.395 1.559 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N2CCc3sccc3C2)nn1 ZINC000640901545 451682804 /nfs/dbraw/zinc/68/28/04/451682804.db2.gz DMEXQIQHUHBOQY-UHFFFAOYSA-N 1 2 329.429 1.037 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCO[C@H]2CCCC[C@@H]2C)nn1 ZINC000640978828 451717649 /nfs/dbraw/zinc/71/76/49/451717649.db2.gz ITPVWPLNYBHKIW-RDJZCZTQSA-N 1 2 347.463 1.103 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2nc(CC)c(C)s2)nn1 ZINC000640958133 451704554 /nfs/dbraw/zinc/70/45/54/451704554.db2.gz XCAZZZYNYZVKJO-UHFFFAOYSA-N 1 2 332.433 1.357 20 30 EDEDLO CC#CC[NH2+]Cc1cn(Cc2nnnn2-c2c(C)cccc2C)nn1 ZINC000640991883 451723853 /nfs/dbraw/zinc/72/38/53/451723853.db2.gz LRFXLQYBLFTFLG-UHFFFAOYSA-N 1 2 336.403 1.032 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000653475269 451972477 /nfs/dbraw/zinc/97/24/77/451972477.db2.gz WQEGTXROPSIDOD-UHFFFAOYSA-N 1 2 337.414 1.817 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(CCCc2c(F)cccc2F)CC1 ZINC000653475269 451972483 /nfs/dbraw/zinc/97/24/83/451972483.db2.gz WQEGTXROPSIDOD-UHFFFAOYSA-N 1 2 337.414 1.817 20 30 EDEDLO C=CCCn1cc(CS(=O)(=O)Cc2cn3c(cccc3C)[nH+]2)nn1 ZINC000656173664 452934212 /nfs/dbraw/zinc/93/42/12/452934212.db2.gz DBQFFMFODGHXFX-UHFFFAOYSA-N 1 2 345.428 1.925 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662300007 453020293 /nfs/dbraw/zinc/02/02/93/453020293.db2.gz JXZAHXYEKJVLTE-AWEZNQCLSA-N 1 2 329.444 1.957 20 30 EDEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662300007 453020302 /nfs/dbraw/zinc/02/03/02/453020302.db2.gz JXZAHXYEKJVLTE-AWEZNQCLSA-N 1 2 329.444 1.957 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000665626104 453773514 /nfs/dbraw/zinc/77/35/14/453773514.db2.gz QOHNEKIAYQQVHQ-QGZVFWFLSA-N 1 2 330.432 1.197 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 ZINC000678334521 487291175 /nfs/dbraw/zinc/29/11/75/487291175.db2.gz LHKBDDOHMVDWLJ-MRXNPFEDSA-N 1 2 329.400 1.720 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 ZINC000678334521 487291178 /nfs/dbraw/zinc/29/11/78/487291178.db2.gz LHKBDDOHMVDWLJ-MRXNPFEDSA-N 1 2 329.400 1.720 20 30 EDEDLO C=C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000674934035 487361286 /nfs/dbraw/zinc/36/12/86/487361286.db2.gz POOBNKDQXWDFJK-CQSZACIVSA-N 1 2 331.416 1.860 20 30 EDEDLO Cc1ncc(C[NH+]2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)s1 ZINC000105813788 534737339 /nfs/dbraw/zinc/73/73/39/534737339.db2.gz QBRNNYFLBWMTLH-QGZVFWFLSA-N 1 2 349.504 1.624 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCN(C(=O)c4ccco4)CC3)n2c1 ZINC000158467923 534800151 /nfs/dbraw/zinc/80/01/51/534800151.db2.gz SZIARZBVZCSSRR-UHFFFAOYSA-N 1 2 335.367 1.757 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000126135129 527018028 /nfs/dbraw/zinc/01/80/28/527018028.db2.gz JXLOBYYHWSSROH-CQSZACIVSA-N 1 2 331.391 1.112 20 30 EDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000126135129 527018034 /nfs/dbraw/zinc/01/80/34/527018034.db2.gz JXLOBYYHWSSROH-CQSZACIVSA-N 1 2 331.391 1.112 20 30 EDEDLO C=CC[C@@H](CO)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000183702185 527091185 /nfs/dbraw/zinc/09/11/85/527091185.db2.gz RMECXNJZFWHYJO-SMDDNHRTSA-N 1 2 327.375 1.804 20 30 EDEDLO C=CC[C@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000190157720 527119272 /nfs/dbraw/zinc/11/92/72/527119272.db2.gz YJTDMKVKJFVPPW-MSOLQXFVSA-N 1 2 332.444 1.498 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000174823571 527451136 /nfs/dbraw/zinc/45/11/36/527451136.db2.gz YAJGTUOYBKKRAE-UHFFFAOYSA-N 1 2 327.344 1.343 20 30 EDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000174823571 527451143 /nfs/dbraw/zinc/45/11/43/527451143.db2.gz YAJGTUOYBKKRAE-UHFFFAOYSA-N 1 2 327.344 1.343 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N[C@@](C)(C#N)C1CC1)C2 ZINC000106372008 528327066 /nfs/dbraw/zinc/32/70/66/528327066.db2.gz IRSKNFDRBQXOJA-SFHVURJKSA-N 1 2 329.448 1.710 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C[C@H]1C ZINC000742300156 579447425 /nfs/dbraw/zinc/44/74/25/579447425.db2.gz OWUNOZAOEKPBIL-GFCCVEGCSA-N 1 2 341.408 1.039 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C[C@H]1C ZINC000742300156 579447426 /nfs/dbraw/zinc/44/74/26/579447426.db2.gz OWUNOZAOEKPBIL-GFCCVEGCSA-N 1 2 341.408 1.039 20 30 EDEDLO Cn1cc(N2CCC[C@H](O[NH+]=C(N)c3ccc(F)cc3)C2=O)cn1 ZINC000742352949 579449502 /nfs/dbraw/zinc/44/95/02/579449502.db2.gz HOTSFXVMXKHMIS-AWEZNQCLSA-N 1 2 331.351 1.392 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000743859469 579492642 /nfs/dbraw/zinc/49/26/42/579492642.db2.gz VGOSWKHQKHLAJC-CQSZACIVSA-N 1 2 347.846 1.165 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000743859469 579492643 /nfs/dbraw/zinc/49/26/43/579492643.db2.gz VGOSWKHQKHLAJC-CQSZACIVSA-N 1 2 347.846 1.165 20 30 EDEDLO COc1cccc2c1CCC2=NNC(=S)NCC[NH+]1CCOCC1 ZINC000759646239 580011340 /nfs/dbraw/zinc/01/13/40/580011340.db2.gz GFFGFSZADSMUHZ-UHFFFAOYSA-N 1 2 348.472 1.142 20 30 EDEDLO CC(C)C1CCC(=NNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000729632513 578585996 /nfs/dbraw/zinc/58/59/96/578585996.db2.gz BCKNIEKEUZGHIF-UHFFFAOYSA-N 1 2 326.510 1.985 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000732058633 578689336 /nfs/dbraw/zinc/68/93/36/578689336.db2.gz TWWBIPMCFQZKPU-INIZCTEOSA-N 1 2 339.395 1.766 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000732058633 578689337 /nfs/dbraw/zinc/68/93/37/578689337.db2.gz TWWBIPMCFQZKPU-INIZCTEOSA-N 1 2 339.395 1.766 20 30 EDEDLO Cc1cccn2cc(CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)[nH+]c12 ZINC000732356011 578707838 /nfs/dbraw/zinc/70/78/38/578707838.db2.gz LNMBVIQCTHWAFW-ZDUSSCGKSA-N 1 2 328.372 1.489 20 30 EDEDLO C[C@H]1C[C@@H]1c1ccc(C=NNC(=S)NCC[NH+]2CCOCC2)o1 ZINC000732763593 578726806 /nfs/dbraw/zinc/72/68/06/578726806.db2.gz LNTQZDLJDQDRBT-JSGCOSHPSA-N 1 2 336.461 1.533 20 30 EDEDLO COc1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000733949761 578790736 /nfs/dbraw/zinc/79/07/36/578790736.db2.gz VOCMZSPNGXYANU-UHFFFAOYSA-N 1 2 337.383 1.315 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000761018640 580044725 /nfs/dbraw/zinc/04/47/25/580044725.db2.gz CJYDDJTZYSCGAD-NSHDSACASA-N 1 2 345.334 1.068 20 30 EDEDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000761054610 580045631 /nfs/dbraw/zinc/04/56/31/580045631.db2.gz HOAWZZATRVDUBW-GXTWGEPZSA-N 1 2 349.394 1.434 20 30 EDEDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000761054610 580045632 /nfs/dbraw/zinc/04/56/32/580045632.db2.gz HOAWZZATRVDUBW-GXTWGEPZSA-N 1 2 349.394 1.434 20 30 EDEDLO COC(=O)[C@@H](NCC(C)(C)[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000739988848 579278786 /nfs/dbraw/zinc/27/87/86/579278786.db2.gz BUJXAHAVWUOZBX-INIZCTEOSA-N 1 2 331.416 1.473 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)CC1 ZINC000744425532 579510510 /nfs/dbraw/zinc/51/05/10/579510510.db2.gz OWKGAFKJILMJBB-KRWDZBQOSA-N 1 2 339.439 1.379 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000745098111 579538538 /nfs/dbraw/zinc/53/85/38/579538538.db2.gz AHVBKZVVWMYZPC-DZGCQCFKSA-N 1 2 347.415 1.623 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000745098111 579538540 /nfs/dbraw/zinc/53/85/40/579538540.db2.gz AHVBKZVVWMYZPC-DZGCQCFKSA-N 1 2 347.415 1.623 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN(c2ccc(OC)c(F)c2)C(C)C)CC1 ZINC000748811619 579700841 /nfs/dbraw/zinc/70/08/41/579700841.db2.gz APTRWXDGPALQAH-UHFFFAOYSA-N 1 2 347.434 1.827 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)CC1 ZINC000748822350 579702298 /nfs/dbraw/zinc/70/22/98/579702298.db2.gz YXGYIFPNEHGBCD-OAHLLOKOSA-N 1 2 329.419 1.522 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CCc3cc(F)ccc3[C@H]2C)CC1 ZINC000748822350 579702300 /nfs/dbraw/zinc/70/23/00/579702300.db2.gz YXGYIFPNEHGBCD-OAHLLOKOSA-N 1 2 329.419 1.522 20 30 EDEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)NNc1nc(C)c(C(=O)OCC)c[nH+]1 ZINC000777892197 580452552 /nfs/dbraw/zinc/45/25/52/580452552.db2.gz HAGHSCZYMAJLBG-UHFFFAOYSA-N 1 2 346.347 1.307 20 30 EDEDLO C[C@@H]1Cc2ccccc2C1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000751131419 579795058 /nfs/dbraw/zinc/79/50/58/579795058.db2.gz PMEXBAIBGNDRNV-CYBMUJFWSA-N 1 2 332.473 1.379 20 30 EDEDLO O=S1(=O)CC[C@H](NN=CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000751127007 579795068 /nfs/dbraw/zinc/79/50/68/579795068.db2.gz GOYOHNAPERHZHR-HNNXBMFYSA-N 1 2 343.493 1.032 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@](C)(O)C2CC2)CC1=O ZINC000752721886 579864378 /nfs/dbraw/zinc/86/43/78/579864378.db2.gz HYUUOCTVTJNNPC-LJQANCHMSA-N 1 2 340.427 1.807 20 30 EDEDLO NC(=[NH+]OCc1nc(-c2ccccn2)no1)c1ccc2c(c1)CCO2 ZINC000753829178 579888892 /nfs/dbraw/zinc/88/88/92/579888892.db2.gz FSZOTFFPUHITMI-UHFFFAOYSA-N 1 2 337.339 1.904 20 30 EDEDLO N#Cc1c(N[C@@H]2CCN(c3cccc[nH+]3)C2)cccc1S(N)(=O)=O ZINC000755025600 579918403 /nfs/dbraw/zinc/91/84/03/579918403.db2.gz BKHFKOZUIYCBKS-GFCCVEGCSA-N 1 2 343.412 1.291 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CCc3c(F)cc(F)cc3[C@@H]2C)CC1 ZINC000758755128 579991152 /nfs/dbraw/zinc/99/11/52/579991152.db2.gz WFMCXMJVQICSHA-AWEZNQCLSA-N 1 2 347.409 1.661 20 30 EDEDLO CN(C)c1cc(COC(=O)CNC(=O)c2ccc(C#N)cc2)cc[nH+]1 ZINC000767533917 580192232 /nfs/dbraw/zinc/19/22/32/580192232.db2.gz SIUBFMHNSZRCOJ-UHFFFAOYSA-N 1 2 338.367 1.492 20 30 EDEDLO N#CCOc1cccc(CC(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767590708 580193867 /nfs/dbraw/zinc/19/38/67/580193867.db2.gz SXJJUKXAZHTJSV-CALCHBBNSA-N 1 2 330.384 1.538 20 30 EDEDLO N#CCOc1cccc(CC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767590708 580193868 /nfs/dbraw/zinc/19/38/68/580193868.db2.gz SXJJUKXAZHTJSV-CALCHBBNSA-N 1 2 330.384 1.538 20 30 EDEDLO CC(=NN1CC(=O)N(C)C1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000768381298 580211823 /nfs/dbraw/zinc/21/18/23/580211823.db2.gz YMUVJVYIODZFDQ-HNNXBMFYSA-N 1 2 330.388 1.157 20 30 EDEDLO CC(=NN1CC(=O)N(C)C1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000768381298 580211824 /nfs/dbraw/zinc/21/18/24/580211824.db2.gz YMUVJVYIODZFDQ-HNNXBMFYSA-N 1 2 330.388 1.157 20 30 EDEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772108369 580303405 /nfs/dbraw/zinc/30/34/05/580303405.db2.gz BESLBJMMUGJLAI-UHFFFAOYSA-N 1 2 330.340 1.666 20 30 EDEDLO N#CCOc1ccc(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000774213144 580356906 /nfs/dbraw/zinc/35/69/06/580356906.db2.gz XYKOODAZLIXQMG-UHFFFAOYSA-N 1 2 349.350 1.492 20 30 EDEDLO C#C[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCCO1 ZINC000775798124 580401156 /nfs/dbraw/zinc/40/11/56/580401156.db2.gz HWQKUIRJXSWANM-ZIAGYGMSSA-N 1 2 328.328 1.915 20 30 EDEDLO C#C[C@H]([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)[C@@H]1CCCO1 ZINC000775801439 580401391 /nfs/dbraw/zinc/40/13/91/580401391.db2.gz XXYKRFHFIZLKOV-STQMWFEESA-N 1 2 327.340 1.736 20 30 EDEDLO CCC(CC)[C@H](C(=O)OCCn1ncc(C#N)c1N)[NH+]1CCOCC1 ZINC000778633520 580469248 /nfs/dbraw/zinc/46/92/48/580469248.db2.gz FVOBVZUCRGRGAR-OAHLLOKOSA-N 1 2 349.435 1.017 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C(=O)OCC)CC1 ZINC000779096086 580479147 /nfs/dbraw/zinc/47/91/47/580479147.db2.gz IJEYMXUILNXBRP-ZBFHGGJFSA-N 1 2 335.448 1.457 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C(=O)OCC)CC1 ZINC000779096086 580479148 /nfs/dbraw/zinc/47/91/48/580479148.db2.gz IJEYMXUILNXBRP-ZBFHGGJFSA-N 1 2 335.448 1.457 20 30 EDEDLO C[C@H]1C[NH+]=C(NN=C2C(=O)Nc3cc(OC(F)(F)F)ccc32)N1 ZINC000779794680 580497485 /nfs/dbraw/zinc/49/74/85/580497485.db2.gz LCJRYYXDVVLPGT-LURJTMIESA-N 1 2 327.266 1.179 20 30 EDEDLO Cc1cc(Br)cc2c1NC(=O)C2=NNC1=[NH+]C[C@@H](C)N1 ZINC000779805088 580497945 /nfs/dbraw/zinc/49/79/45/580497945.db2.gz KCTAEMGQEZBCQS-SSDOTTSWSA-N 1 2 336.193 1.351 20 30 EDEDLO C=CCOCCNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000780048330 580509305 /nfs/dbraw/zinc/50/93/05/580509305.db2.gz XXNOVDSSWXHLBX-UHFFFAOYSA-N 1 2 326.466 1.398 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c(N(C)C)[nH+]1 ZINC000780205735 580515940 /nfs/dbraw/zinc/51/59/40/580515940.db2.gz NLDXXJPWBHHFJJ-UHFFFAOYSA-N 1 2 329.404 1.547 20 30 EDEDLO N#Cc1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)nc1 ZINC000780555083 580526642 /nfs/dbraw/zinc/52/66/42/580526642.db2.gz NFXVTCSYAJYVNZ-UHFFFAOYSA-N 1 2 326.312 1.922 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC000781984386 580562541 /nfs/dbraw/zinc/56/25/41/580562541.db2.gz JVMPXWRKTXCRKX-LSDHHAIUSA-N 1 2 337.464 1.702 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC000781984386 580562542 /nfs/dbraw/zinc/56/25/42/580562542.db2.gz JVMPXWRKTXCRKX-LSDHHAIUSA-N 1 2 337.464 1.702 20 30 EDEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC3(CNC(=O)O3)CC2)C1=O ZINC000782003631 580563583 /nfs/dbraw/zinc/56/35/83/580563583.db2.gz BUPDTGMBJUUMLD-LBPRGKRZSA-N 1 2 346.412 1.299 20 30 EDEDLO Cc1ccc(NC(=O)C(=O)N(CCC#N)CC2CC2)c(N(C)C)[nH+]1 ZINC000784447710 580621160 /nfs/dbraw/zinc/62/11/60/580621160.db2.gz ZVTQFARLWYTIKL-UHFFFAOYSA-N 1 2 329.404 1.547 20 30 EDEDLO C#CCOCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000784548318 580623567 /nfs/dbraw/zinc/62/35/67/580623567.db2.gz DKNITDSITWFFPE-SFHVURJKSA-N 1 2 345.443 1.317 20 30 EDEDLO C#CCOc1ccc(C[NH2+]Cc2ncccc2S(C)(=O)=O)cc1 ZINC000785572477 580647500 /nfs/dbraw/zinc/64/75/00/580647500.db2.gz NMHBCNCGIYGZAU-UHFFFAOYSA-N 1 2 330.409 1.787 20 30 EDEDLO COC(=O)[C@H]1CC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@@H]1C ZINC000787327004 580693047 /nfs/dbraw/zinc/69/30/47/580693047.db2.gz LBBCIJCIYKKCQI-OLZOCXBDSA-N 1 2 340.383 1.303 20 30 EDEDLO COC(=O)[C@H]1CC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)[C@@H]1C ZINC000787327004 580693048 /nfs/dbraw/zinc/69/30/48/580693048.db2.gz LBBCIJCIYKKCQI-OLZOCXBDSA-N 1 2 340.383 1.303 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(N2C(=O)CNC2=O)c1C ZINC000794276799 580884531 /nfs/dbraw/zinc/88/45/31/580884531.db2.gz SZMFLWYHRGLSEC-HNNXBMFYSA-N 1 2 340.383 1.087 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(N2C(=O)CNC2=O)c1C ZINC000794276799 580884532 /nfs/dbraw/zinc/88/45/32/580884532.db2.gz SZMFLWYHRGLSEC-HNNXBMFYSA-N 1 2 340.383 1.087 20 30 EDEDLO Cn1c[nH+]c(CN=Nc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000794493604 580894563 /nfs/dbraw/zinc/89/45/63/580894563.db2.gz BXSQOIQLCFEGHK-UHFFFAOYSA-N 1 2 335.433 1.943 20 30 EDEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1=S ZINC000794638143 580901154 /nfs/dbraw/zinc/90/11/54/580901154.db2.gz AXYAKQCSTBVHFS-LBPRGKRZSA-N 1 2 337.449 1.450 20 30 EDEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1=S ZINC000794638143 580901155 /nfs/dbraw/zinc/90/11/55/580901155.db2.gz AXYAKQCSTBVHFS-LBPRGKRZSA-N 1 2 337.449 1.450 20 30 EDEDLO C#CC[C@@H](Cc1ccccc1)NC(=S)NCC[NH+]1CCOCC1 ZINC000795131803 580914039 /nfs/dbraw/zinc/91/40/39/580914039.db2.gz NDNQHHNPECPAIF-KRWDZBQOSA-N 1 2 331.485 1.417 20 30 EDEDLO CO[C@@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1 ZINC000795713241 580935128 /nfs/dbraw/zinc/93/51/28/580935128.db2.gz GUYMGYSUTKWLMX-OAHLLOKOSA-N 1 2 347.390 1.745 20 30 EDEDLO C=CCOCCOC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000797309183 580973000 /nfs/dbraw/zinc/97/30/00/580973000.db2.gz BEOMQKJWOVDDQJ-RHSMWYFYSA-N 1 2 349.431 1.856 20 30 EDEDLO CN(C(=O)[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1)c1ccccc1 ZINC000797419654 580975327 /nfs/dbraw/zinc/97/53/27/580975327.db2.gz DKKJCLJDFIREJF-INIZCTEOSA-N 1 2 336.395 1.662 20 30 EDEDLO CN(C(=O)[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1)c1ccccc1 ZINC000797419654 580975328 /nfs/dbraw/zinc/97/53/28/580975328.db2.gz DKKJCLJDFIREJF-INIZCTEOSA-N 1 2 336.395 1.662 20 30 EDEDLO C#Cc1cncc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000798157349 580989048 /nfs/dbraw/zinc/98/90/48/580989048.db2.gz GCXBZRZDGZRULN-LJQANCHMSA-N 1 2 335.407 1.866 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)C1=O ZINC000799122918 581017406 /nfs/dbraw/zinc/01/74/06/581017406.db2.gz IQIRWSVZXSOAHM-SJORKVTESA-N 1 2 328.412 1.981 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)C1=O ZINC000799122918 581017407 /nfs/dbraw/zinc/01/74/07/581017407.db2.gz IQIRWSVZXSOAHM-SJORKVTESA-N 1 2 328.412 1.981 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CN2C[C@H](c3cccc(F)c3)CC2=O)C1=O ZINC000799142179 581018573 /nfs/dbraw/zinc/01/85/73/581018573.db2.gz MATLJRJQFVJRPR-NVXWUHKLSA-N 1 2 345.418 1.818 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CN2C[C@H](c3cccc(F)c3)CC2=O)C1=O ZINC000799142179 581018574 /nfs/dbraw/zinc/01/85/74/581018574.db2.gz MATLJRJQFVJRPR-NVXWUHKLSA-N 1 2 345.418 1.818 20 30 EDEDLO C=CC[C@H]1CCN1C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000890555490 590657195 /nfs/dbraw/zinc/65/71/95/590657195.db2.gz AANGYEQKDHYTPM-AWEZNQCLSA-N 1 2 336.457 1.813 20 30 EDEDLO C=C(C)C[C@@H](CO)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000891409515 591068809 /nfs/dbraw/zinc/06/88/09/591068809.db2.gz HMHKIUWHKVAXFW-HNNXBMFYSA-N 1 2 342.399 1.469 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cncc(C(F)F)c2)C1 ZINC000891603102 591144200 /nfs/dbraw/zinc/14/42/00/591144200.db2.gz NEVVHYUZQYJBKM-GFCCVEGCSA-N 1 2 336.342 1.172 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cncc(C(F)F)c2)C1 ZINC000891603102 591144201 /nfs/dbraw/zinc/14/42/01/591144201.db2.gz NEVVHYUZQYJBKM-GFCCVEGCSA-N 1 2 336.342 1.172 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(-c3ccncc3)cn2)CC1 ZINC000891617044 591151482 /nfs/dbraw/zinc/15/14/82/591151482.db2.gz RBICFVQCQZZABX-UHFFFAOYSA-N 1 2 337.427 1.568 20 30 EDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(SC)s2)CC1 ZINC000895923211 591305087 /nfs/dbraw/zinc/30/50/87/591305087.db2.gz WFZKNMKLNKLXRF-UHFFFAOYSA-N 1 2 345.515 1.055 20 30 EDEDLO C[C@@H]1C[NH+](Cc2ncc(Br)cc2O)C[C@@H](C)N1CC#N ZINC000895969436 591314835 /nfs/dbraw/zinc/31/48/35/591314835.db2.gz NDZWXFFDQDEPBO-GHMZBOCLSA-N 1 2 339.237 1.968 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2[nH]c3ccccc3c2C#N)[C@H](C)CO1 ZINC000898667552 591463427 /nfs/dbraw/zinc/46/34/27/591463427.db2.gz XUUQPPXNMFEVGK-CHWSQXEVSA-N 1 2 326.400 1.879 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2[nH]c3ccccc3c2C#N)[C@H](C)CO1 ZINC000898667552 591463430 /nfs/dbraw/zinc/46/34/30/591463430.db2.gz XUUQPPXNMFEVGK-CHWSQXEVSA-N 1 2 326.400 1.879 20 30 EDEDLO COCCCOc1cccc(C[NH+]2CCN(C(=O)CC#N)CC2)c1 ZINC000895065947 591560196 /nfs/dbraw/zinc/56/01/96/591560196.db2.gz KIYQNVOPHHOQST-UHFFFAOYSA-N 1 2 331.416 1.660 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1[nH]c2ccccc2c1C#N ZINC000897600492 591577187 /nfs/dbraw/zinc/57/71/87/591577187.db2.gz JSPYEYQXVDMXCA-CYBMUJFWSA-N 1 2 326.400 1.832 20 30 EDEDLO Cc1cn(C(C)(C)C(=O)N2CCN(c3ncccc3C#N)CC2)c[nH+]1 ZINC000895528320 591789258 /nfs/dbraw/zinc/78/92/58/591789258.db2.gz WIEVRCOVDWLSDF-UHFFFAOYSA-N 1 2 338.415 1.542 20 30 EDEDLO CC(F)(F)CCCn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000902417909 591991961 /nfs/dbraw/zinc/99/19/61/591991961.db2.gz DZLCUMKHXCGDAG-UHFFFAOYSA-N 1 2 325.359 1.988 20 30 EDEDLO COC(=O)c1cnc([C@H]2CC[N@H+](Cn3cccc(C#N)c3=O)C2)s1 ZINC000902437991 591995586 /nfs/dbraw/zinc/99/55/86/591995586.db2.gz LNSSAUYCRVEPIO-LBPRGKRZSA-N 1 2 344.396 1.410 20 30 EDEDLO COC(=O)c1cnc([C@H]2CC[N@@H+](Cn3cccc(C#N)c3=O)C2)s1 ZINC000902437991 591995588 /nfs/dbraw/zinc/99/55/88/591995588.db2.gz LNSSAUYCRVEPIO-LBPRGKRZSA-N 1 2 344.396 1.410 20 30 EDEDLO COC(=O)c1ncn(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000902589844 592015630 /nfs/dbraw/zinc/01/56/30/592015630.db2.gz NFZQQADTJQFJGB-UHFFFAOYSA-N 1 2 325.372 1.773 20 30 EDEDLO CCCn1cc([C@@H](C)[NH+]2CCN(c3ccc(C#N)nc3)CC2)nn1 ZINC000903084917 592117157 /nfs/dbraw/zinc/11/71/57/592117157.db2.gz MDIFQQSDWBNGDD-CQSZACIVSA-N 1 2 325.420 1.838 20 30 EDEDLO CNc1ccc(C#N)cc1NC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000907933774 592237382 /nfs/dbraw/zinc/23/73/82/592237382.db2.gz VJZWLWVCZPWFOE-UHFFFAOYSA-N 1 2 329.448 1.955 20 30 EDEDLO COCOc1ccc(C#N)cc1-c1cccc([C@@H]2[NH2+]CCNC2=O)c1 ZINC000904886043 592336488 /nfs/dbraw/zinc/33/64/88/592336488.db2.gz WWESUFLVZNKICX-SFHVURJKSA-N 1 2 337.379 1.968 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000907054326 592497685 /nfs/dbraw/zinc/49/76/85/592497685.db2.gz FHWGYVKBQUUGHI-ZWKOTPCHSA-N 1 2 348.468 1.590 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)nc1 ZINC000907278841 592570585 /nfs/dbraw/zinc/57/05/85/592570585.db2.gz LIRHSJOTRXQRBK-UHFFFAOYSA-N 1 2 343.412 1.427 20 30 EDEDLO C=CCn1c(-c2ncon2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000908730003 592587005 /nfs/dbraw/zinc/58/70/05/592587005.db2.gz VSQAPGVUPJMFSP-UHFFFAOYSA-N 1 2 341.375 1.429 20 30 EDEDLO C=CC[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)C(=O)OC ZINC000905765987 592640106 /nfs/dbraw/zinc/64/01/06/592640106.db2.gz AARNEEWZAGHURX-HOCLYGCPSA-N 1 2 332.400 1.374 20 30 EDEDLO C#CC[C@@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C(=O)OC ZINC000909888747 592708334 /nfs/dbraw/zinc/70/83/34/592708334.db2.gz DUFQXLBDBUXDQD-MRXNPFEDSA-N 1 2 340.383 1.290 20 30 EDEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CCC[C@@H](C#N)C1 ZINC000909298062 592793562 /nfs/dbraw/zinc/79/35/62/592793562.db2.gz UAQCCJHICHWQAY-JYJNAYRXSA-N 1 2 344.463 1.986 20 30 EDEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CCC[C@@H](C#N)C1 ZINC000909298062 592793564 /nfs/dbraw/zinc/79/35/64/592793564.db2.gz UAQCCJHICHWQAY-JYJNAYRXSA-N 1 2 344.463 1.986 20 30 EDEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CCC[C@H](C#N)C1 ZINC000909298067 592793700 /nfs/dbraw/zinc/79/37/00/592793700.db2.gz UAQCCJHICHWQAY-XHSDSOJGSA-N 1 2 344.463 1.986 20 30 EDEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CCC[C@H](C#N)C1 ZINC000909298067 592793704 /nfs/dbraw/zinc/79/37/04/592793704.db2.gz UAQCCJHICHWQAY-XHSDSOJGSA-N 1 2 344.463 1.986 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2coc(Sc3ncccn3)n2)CC1 ZINC000906483613 592836172 /nfs/dbraw/zinc/83/61/72/592836172.db2.gz LHTJWQVIGKFREC-UHFFFAOYSA-N 1 2 343.412 1.397 20 30 EDEDLO C#C[C@@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)c1ccccc1 ZINC000911499807 592932322 /nfs/dbraw/zinc/93/23/22/592932322.db2.gz BLNMOWTVDJTQLT-GOSISDBHSA-N 1 2 337.423 1.925 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000734474375 592964035 /nfs/dbraw/zinc/96/40/35/592964035.db2.gz SMDXCEMAJDYJFV-ROUUACIJSA-N 1 2 339.439 1.738 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000734474375 592964036 /nfs/dbraw/zinc/96/40/36/592964036.db2.gz SMDXCEMAJDYJFV-ROUUACIJSA-N 1 2 339.439 1.738 20 30 EDEDLO N#Cc1sc(NC(=O)NCC2([NH+]3CCOCC3)CC2)nc1Cl ZINC000888419632 593055777 /nfs/dbraw/zinc/05/57/77/593055777.db2.gz XGCNOMHZZVRFCD-UHFFFAOYSA-N 1 2 341.824 1.654 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2sccc2Br)CC1 ZINC000823305941 593072934 /nfs/dbraw/zinc/07/29/34/593072934.db2.gz QIDUTTHBMFWIJR-UHFFFAOYSA-N 1 2 327.247 1.831 20 30 EDEDLO C=CCN(C(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1)[C@@H](C)COC ZINC000912315017 593086287 /nfs/dbraw/zinc/08/62/87/593086287.db2.gz OBJZRROVARYECI-KBPBESRZSA-N 1 2 337.420 1.558 20 30 EDEDLO C=CCN(C(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1)[C@@H](C)COC ZINC000912315017 593086288 /nfs/dbraw/zinc/08/62/88/593086288.db2.gz OBJZRROVARYECI-KBPBESRZSA-N 1 2 337.420 1.558 20 30 EDEDLO Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@]2(C#N)CCCOC2)c1 ZINC000912531751 593103387 /nfs/dbraw/zinc/10/33/87/593103387.db2.gz AEAFANNIZKTUIS-KRWDZBQOSA-N 1 2 325.372 1.967 20 30 EDEDLO C#CCN(C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)C1CCCC1 ZINC000807677827 593190370 /nfs/dbraw/zinc/19/03/70/593190370.db2.gz YVYITVJQIILDOP-GOSISDBHSA-N 1 2 339.439 1.694 20 30 EDEDLO C#CCN(C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)C1CCCC1 ZINC000807677827 593190373 /nfs/dbraw/zinc/19/03/73/593190373.db2.gz YVYITVJQIILDOP-GOSISDBHSA-N 1 2 339.439 1.694 20 30 EDEDLO N#Cc1ccnc(N2CC[NH+](CN3C[C@H]4CCC[C@@H]4C3=O)CC2)c1 ZINC000839956480 593228637 /nfs/dbraw/zinc/22/86/37/593228637.db2.gz BWYBFSIDRDASJE-CVEARBPZSA-N 1 2 325.416 1.291 20 30 EDEDLO C#CCCS(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000808295993 593248665 /nfs/dbraw/zinc/24/86/65/593248665.db2.gz FWYFTPUGGQSVEC-DOTOQJQBSA-N 1 2 336.457 1.219 20 30 EDEDLO C#CCCS(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000808295993 593248666 /nfs/dbraw/zinc/24/86/66/593248666.db2.gz FWYFTPUGGQSVEC-DOTOQJQBSA-N 1 2 336.457 1.219 20 30 EDEDLO C#CC[NH+]1CCN(c2nnc(COC)n2Cc2cccs2)CC1 ZINC000802697953 593270900 /nfs/dbraw/zinc/27/09/00/593270900.db2.gz DLBAQCSYIMBVQD-UHFFFAOYSA-N 1 2 331.445 1.290 20 30 EDEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)c2nccnc2C1=O ZINC000839978231 593276655 /nfs/dbraw/zinc/27/66/55/593276655.db2.gz PUDWEPCUIWZMST-UHFFFAOYSA-N 1 2 335.367 1.812 20 30 EDEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)c2nccnc2C1=O ZINC000839978231 593276657 /nfs/dbraw/zinc/27/66/57/593276657.db2.gz PUDWEPCUIWZMST-UHFFFAOYSA-N 1 2 335.367 1.812 20 30 EDEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)COc1cccc(C#N)c1 ZINC000803512767 593338573 /nfs/dbraw/zinc/33/85/73/593338573.db2.gz UEMSEIOCVGJEDS-HOCLYGCPSA-N 1 2 329.400 1.259 20 30 EDEDLO CN(C)c1[nH+]cc(C=NN2C(=S)N=NC2c2cccs2)n1C ZINC000811632620 593475557 /nfs/dbraw/zinc/47/55/57/593475557.db2.gz WWEOULVZHRNCGI-UHFFFAOYSA-N 1 2 333.446 1.977 20 30 EDEDLO Cc1cc(C)n(C2N=NC(=S)N2N=Cc2c[nH+]c(N(C)C)n2C)n1 ZINC000811636895 593475564 /nfs/dbraw/zinc/47/55/64/593475564.db2.gz PBZHDFWFPZXNOO-UHFFFAOYSA-N 1 2 345.436 1.051 20 30 EDEDLO COc1ccc(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1C#N ZINC000811897331 593485526 /nfs/dbraw/zinc/48/55/26/593485526.db2.gz TYXANQQJDBDDLL-ZDUSSCGKSA-N 1 2 325.372 1.647 20 30 EDEDLO COc1ccc(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1C#N ZINC000811897331 593485527 /nfs/dbraw/zinc/48/55/27/593485527.db2.gz TYXANQQJDBDDLL-ZDUSSCGKSA-N 1 2 325.372 1.647 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000812874351 593511897 /nfs/dbraw/zinc/51/18/97/593511897.db2.gz CAGDFHYVJWNPOD-AWEZNQCLSA-N 1 2 334.383 1.564 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000812874351 593511898 /nfs/dbraw/zinc/51/18/98/593511898.db2.gz CAGDFHYVJWNPOD-AWEZNQCLSA-N 1 2 334.383 1.564 20 30 EDEDLO CC(=[NH+]Nc1ccc(-n2ccnc2)nn1)c1cc([N+](=O)[O-])ccc1N ZINC000814915426 593606770 /nfs/dbraw/zinc/60/67/70/593606770.db2.gz VNJRIIVASKPIQM-UHFFFAOYSA-N 1 2 338.331 1.989 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2nnn(Cc3ccccc3)c2CC)CC1 ZINC000817533089 593610546 /nfs/dbraw/zinc/61/05/46/593610546.db2.gz LCGYFHHFEHNTKV-UHFFFAOYSA-N 1 2 337.427 1.280 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000815269822 593623682 /nfs/dbraw/zinc/62/36/82/593623682.db2.gz ZJHOMWPAWOMLFA-ZDUSSCGKSA-N 1 2 332.360 1.281 20 30 EDEDLO O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000820150102 593795574 /nfs/dbraw/zinc/79/55/74/593795574.db2.gz VJZCZNFGVIJNCA-HIFRSBDPSA-N 1 2 346.431 1.600 20 30 EDEDLO C#CCN(C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000823890826 593880875 /nfs/dbraw/zinc/88/08/75/593880875.db2.gz SQQQEQSPLUSJMR-IBGZPJMESA-N 1 2 340.471 1.610 20 30 EDEDLO C#CCN(C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1)C1CC1 ZINC000823890826 593880879 /nfs/dbraw/zinc/88/08/79/593880879.db2.gz SQQQEQSPLUSJMR-IBGZPJMESA-N 1 2 340.471 1.610 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC000820982599 593935641 /nfs/dbraw/zinc/93/56/41/593935641.db2.gz BZDGJVOGVOSBHM-HUUCEWRRSA-N 1 2 331.416 1.929 20 30 EDEDLO C#CCOc1ccc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC000820982599 593935644 /nfs/dbraw/zinc/93/56/44/593935644.db2.gz BZDGJVOGVOSBHM-HUUCEWRRSA-N 1 2 331.416 1.929 20 30 EDEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000821011224 593945079 /nfs/dbraw/zinc/94/50/79/593945079.db2.gz QXLOARXVOXEXAP-HNNXBMFYSA-N 1 2 327.388 1.354 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000821328825 594018176 /nfs/dbraw/zinc/01/81/76/594018176.db2.gz PTZHKKKIYPDMFE-BBWFWOEESA-N 1 2 327.384 1.182 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000821328825 594018179 /nfs/dbraw/zinc/01/81/79/594018179.db2.gz PTZHKKKIYPDMFE-BBWFWOEESA-N 1 2 327.384 1.182 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)/C=C\COc1ccccc1 ZINC000824900681 594094125 /nfs/dbraw/zinc/09/41/25/594094125.db2.gz DCDCJCWDNQBYEG-YWEYNIOJSA-N 1 2 343.427 1.696 20 30 EDEDLO COc1cc([C@H](C#N)NC(=O)Cc2[nH]cc[nH+]2)cc(OC)c1OC ZINC000825050261 594122180 /nfs/dbraw/zinc/12/21/80/594122180.db2.gz QKFDQLUFARCAGT-NSHDSACASA-N 1 2 330.344 1.359 20 30 EDEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000823013243 594136704 /nfs/dbraw/zinc/13/67/04/594136704.db2.gz MAJVIQODOSRZTL-HNNXBMFYSA-N 1 2 337.427 1.804 20 30 EDEDLO CN(C)c1cc(C#N)cc(C(=O)N2CC[NH+](Cc3cn[nH]c3)CC2)c1 ZINC000823016692 594137597 /nfs/dbraw/zinc/13/75/97/594137597.db2.gz AQVYQLFXRSCKLL-UHFFFAOYSA-N 1 2 338.415 1.305 20 30 EDEDLO C#CC1CC[NH+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000830351717 594380998 /nfs/dbraw/zinc/38/09/98/594380998.db2.gz VFHYQJFEUVAFNA-UHFFFAOYSA-N 1 2 334.441 1.052 20 30 EDEDLO NC(=[NH+]OCc1ccccc1-c1nn[nH]n1)c1ccc2c(c1)CCO2 ZINC000826389181 594456248 /nfs/dbraw/zinc/45/62/48/594456248.db2.gz RLOIDTRYHNCQAL-UHFFFAOYSA-N 1 2 336.355 1.639 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826597496 594535903 /nfs/dbraw/zinc/53/59/03/594535903.db2.gz LNKIESPBKVUNLR-HKUYNNGSSA-N 1 2 332.444 1.639 20 30 EDEDLO C=C[C@](C)(O)CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826597496 594535905 /nfs/dbraw/zinc/53/59/05/594535905.db2.gz LNKIESPBKVUNLR-HKUYNNGSSA-N 1 2 332.444 1.639 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831468809 594636647 /nfs/dbraw/zinc/63/66/47/594636647.db2.gz WJQVHPQVYXGIRJ-KBXCAEBGSA-N 1 2 347.438 1.786 20 30 EDEDLO COC(=O)C1(C#N)CC[NH+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000831691615 594693088 /nfs/dbraw/zinc/69/30/88/594693088.db2.gz SBPDZNFLNNXTER-SLTAFYQDSA-N 1 2 335.448 1.849 20 30 EDEDLO Cc1cc(N(C)C)ccc1C=[NH+]Nc1nc2c(cnn2C)c(=O)[nH]1 ZINC000841625962 594929909 /nfs/dbraw/zinc/92/99/09/594929909.db2.gz OIRZTDPOBCOXCJ-UHFFFAOYSA-N 1 2 325.376 1.889 20 30 EDEDLO NC(C[NH+]1CCSCC1)=NOCc1ccn(-c2ccc(F)cc2)n1 ZINC000121445183 594973746 /nfs/dbraw/zinc/97/37/46/594973746.db2.gz CCBYVGXBRKVBED-UHFFFAOYSA-N 1 2 349.435 1.849 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000843245272 595048653 /nfs/dbraw/zinc/04/86/53/595048653.db2.gz BDWOLIYNKSCCIL-HNNXBMFYSA-N 1 2 328.416 1.309 20 30 EDEDLO NC(=[NH+]OCC(=O)NC1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000102766883 595080889 /nfs/dbraw/zinc/08/08/89/595080889.db2.gz BMBCDITZKUJDQR-UHFFFAOYSA-N 1 2 345.321 1.638 20 30 EDEDLO O=C(C#CC1CC1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000837316937 595083771 /nfs/dbraw/zinc/08/37/71/595083771.db2.gz OOJXFCXAQWIRCR-UHFFFAOYSA-N 1 2 326.396 1.515 20 30 EDEDLO O=C(C#CC1CC1)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000837418601 595105522 /nfs/dbraw/zinc/10/55/22/595105522.db2.gz MSNPKLDRAXOYKN-UHFFFAOYSA-N 1 2 331.460 1.241 20 30 EDEDLO Cn1c(CC#N)nn(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c1=S ZINC000842628507 595149505 /nfs/dbraw/zinc/14/95/05/595149505.db2.gz WRFPWUHVDXSBCP-MRXNPFEDSA-N 1 2 331.445 1.814 20 30 EDEDLO Cn1c(CC#N)nn(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c1=S ZINC000842628507 595149508 /nfs/dbraw/zinc/14/95/08/595149508.db2.gz WRFPWUHVDXSBCP-MRXNPFEDSA-N 1 2 331.445 1.814 20 30 EDEDLO CCC(=NNC(=S)NCC[NH+]1CCOCC1)c1ccsc1 ZINC000834921305 595239372 /nfs/dbraw/zinc/23/93/72/595239372.db2.gz XTKKKNMWHYVOBN-UHFFFAOYSA-N 1 2 326.491 1.659 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000844006326 595240596 /nfs/dbraw/zinc/24/05/96/595240596.db2.gz WAKNEEJXGYAIFE-INIZCTEOSA-N 1 2 327.428 1.789 20 30 EDEDLO CCOC(=O)C(C)(C)O[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000835005239 595244925 /nfs/dbraw/zinc/24/49/25/595244925.db2.gz UIQJYYFQTFNNCW-UHFFFAOYSA-N 1 2 327.406 1.672 20 30 EDEDLO COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1ncc(C#N)cc1C ZINC000842964226 595245640 /nfs/dbraw/zinc/24/56/40/595245640.db2.gz AHUTVUYXQGDWAW-ZFWWWQNUSA-N 1 2 333.388 1.154 20 30 EDEDLO COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1ncc(C#N)cc1C ZINC000842964226 595245641 /nfs/dbraw/zinc/24/56/41/595245641.db2.gz AHUTVUYXQGDWAW-ZFWWWQNUSA-N 1 2 333.388 1.154 20 30 EDEDLO C=CCCn1cc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)nn1 ZINC000846817255 595320683 /nfs/dbraw/zinc/32/06/83/595320683.db2.gz CNAKHLVWORXLCX-HOCLYGCPSA-N 1 2 330.436 1.533 20 30 EDEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)nn1 ZINC000846817255 595320686 /nfs/dbraw/zinc/32/06/86/595320686.db2.gz CNAKHLVWORXLCX-HOCLYGCPSA-N 1 2 330.436 1.533 20 30 EDEDLO CCN1C[C@@H](C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)OC1=O ZINC000846825835 595322013 /nfs/dbraw/zinc/32/20/13/595322013.db2.gz NJEVUBSFHQMTES-SJORKVTESA-N 1 2 328.416 1.710 20 30 EDEDLO Cc1ccc2c(C[NH+]3CCN(C(=O)CC#N)CC3)cc(=O)oc2c1C ZINC000846958530 595343312 /nfs/dbraw/zinc/34/33/12/595343312.db2.gz UEKKTLBJGMCJHD-UHFFFAOYSA-N 1 2 339.395 1.968 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000844529758 595355584 /nfs/dbraw/zinc/35/55/84/595355584.db2.gz WGDXOJOMNXDIRU-MRXNPFEDSA-N 1 2 335.839 1.909 20 30 EDEDLO COc1cc2c(cc1OC)C(=NNCCCn1cc[nH+]c1)C(=O)N2 ZINC000848417807 595375459 /nfs/dbraw/zinc/37/54/59/595375459.db2.gz FXXIGZNTLDEDRM-UHFFFAOYSA-N 1 2 329.360 1.236 20 30 EDEDLO CC(=NNCCCn1cc[nH+]c1)c1cccc(NS(C)(=O)=O)c1 ZINC000848417663 595375488 /nfs/dbraw/zinc/37/54/88/595375488.db2.gz DGTOWWKOJZLSJQ-UHFFFAOYSA-N 1 2 335.433 1.659 20 30 EDEDLO CCCCCC/N=C1\NC(=O)[C@H](CC(=O)NCC[NH+](C)C)S1 ZINC000106898568 595433818 /nfs/dbraw/zinc/43/38/18/595433818.db2.gz IYPSSYBNKFBXQI-LBPRGKRZSA-N 1 2 328.482 1.222 20 30 EDEDLO C=C(C)CONC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000845595971 595523183 /nfs/dbraw/zinc/52/31/83/595523183.db2.gz ZUDJUOFWJZMEPQ-UHFFFAOYSA-N 1 2 349.431 1.705 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2CC)CC1 ZINC000112920382 595569377 /nfs/dbraw/zinc/56/93/77/595569377.db2.gz AISNOQIHSRILPK-UHFFFAOYSA-N 1 2 340.402 1.965 20 30 EDEDLO CON=Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)cc1 ZINC000855114328 595600991 /nfs/dbraw/zinc/60/09/91/595600991.db2.gz KWLWYNUVCHMTLD-HNNXBMFYSA-N 1 2 344.415 1.890 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)CCC1 ZINC000858052512 595690444 /nfs/dbraw/zinc/69/04/44/595690444.db2.gz XWDFVCGONOVZGE-INIZCTEOSA-N 1 2 340.427 1.975 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)CCC1 ZINC000858052512 595690446 /nfs/dbraw/zinc/69/04/46/595690446.db2.gz XWDFVCGONOVZGE-INIZCTEOSA-N 1 2 340.427 1.975 20 30 EDEDLO C=CC[N@H+](CN1C[C@](CO)(c2ccccn2)CC1=O)[C@@H](C)COC ZINC000853535160 595788765 /nfs/dbraw/zinc/78/87/65/595788765.db2.gz QBHAZXJPPMJXJY-MAUKXSAKSA-N 1 2 333.432 1.024 20 30 EDEDLO C=CC[N@@H+](CN1C[C@](CO)(c2ccccn2)CC1=O)[C@@H](C)COC ZINC000853535160 595788770 /nfs/dbraw/zinc/78/87/70/595788770.db2.gz QBHAZXJPPMJXJY-MAUKXSAKSA-N 1 2 333.432 1.024 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C(=O)C[C@](C)(c2ccc(C)cc2)C1=O ZINC000853621212 595834920 /nfs/dbraw/zinc/83/49/20/595834920.db2.gz ULTRRFYFXCNVGD-HXUWFJFHSA-N 1 2 342.439 1.941 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C(=O)C[C@](C)(c2ccc(C)cc2)C1=O ZINC000853621212 595834923 /nfs/dbraw/zinc/83/49/23/595834923.db2.gz ULTRRFYFXCNVGD-HXUWFJFHSA-N 1 2 342.439 1.941 20 30 EDEDLO C#CCC[N@@H+](CCOC)CN1C[C@H](NC(=O)OC(C)(C)C)CC1=O ZINC000853620743 595834997 /nfs/dbraw/zinc/83/49/97/595834997.db2.gz CBUHYPVAVFJARI-CQSZACIVSA-N 1 2 339.436 1.041 20 30 EDEDLO C#CCC[N@H+](CCOC)CN1C[C@H](NC(=O)OC(C)(C)C)CC1=O ZINC000853620743 595835002 /nfs/dbraw/zinc/83/50/02/595835002.db2.gz CBUHYPVAVFJARI-CQSZACIVSA-N 1 2 339.436 1.041 20 30 EDEDLO C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(OCC#N)cc2)[C@@H](C)CO1 ZINC000853651370 595846753 /nfs/dbraw/zinc/84/67/53/595846753.db2.gz AYWHXXQPJAZJEJ-GJZGRUSLSA-N 1 2 346.431 1.497 20 30 EDEDLO C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(OCC#N)cc2)[C@@H](C)CO1 ZINC000853651370 595846756 /nfs/dbraw/zinc/84/67/56/595846756.db2.gz AYWHXXQPJAZJEJ-GJZGRUSLSA-N 1 2 346.431 1.497 20 30 EDEDLO C#CCCOC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000859048900 595962260 /nfs/dbraw/zinc/96/22/60/595962260.db2.gz FNXKMSWJMCPRIT-UHFFFAOYSA-N 1 2 332.400 1.981 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C1CCOCC1 ZINC000851942434 595979159 /nfs/dbraw/zinc/97/91/59/595979159.db2.gz RCBDZWIUIPPNFW-MRXNPFEDSA-N 1 2 339.399 1.495 20 30 EDEDLO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000854114018 595979518 /nfs/dbraw/zinc/97/95/18/595979518.db2.gz OQOWIBOBOXNMSU-QWHCGFSZSA-N 1 2 332.404 1.875 20 30 EDEDLO C#C[C@H]1COCC[N@H+]1C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000852163300 596066381 /nfs/dbraw/zinc/06/63/81/596066381.db2.gz YIQRCAGYUOFLOG-LSDHHAIUSA-N 1 2 336.432 1.489 20 30 EDEDLO C#C[C@H]1COCC[N@@H+]1C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000852163300 596066385 /nfs/dbraw/zinc/06/63/85/596066385.db2.gz YIQRCAGYUOFLOG-LSDHHAIUSA-N 1 2 336.432 1.489 20 30 EDEDLO C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000859474573 596104796 /nfs/dbraw/zinc/10/47/96/596104796.db2.gz DEHVDABWTHPTJU-UHFFFAOYSA-N 1 2 338.452 1.463 20 30 EDEDLO CCOC(=O)C[C@@H](CC#N)OC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000870615672 596298061 /nfs/dbraw/zinc/29/80/61/596298061.db2.gz IJFRNLITKFCNSX-CYBMUJFWSA-N 1 2 333.319 1.795 20 30 EDEDLO N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000867711274 596508885 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CC[N@@H+]1[C@H](C)CN(S(=O)(=O)c2cc(F)cc(C#N)c2)C[C@@H]1C ZINC000919590135 697301399 /nfs/dbraw/zinc/30/13/99/697301399.db2.gz BCRFJACUBFFAGW-TXEJJXNPSA-N 1 2 325.409 1.801 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)cc1 ZINC000994618089 697325912 /nfs/dbraw/zinc/32/59/12/697325912.db2.gz VCPPVMGFMPTQOJ-INIZCTEOSA-N 1 2 348.406 1.068 20 30 EDEDLO N#Cc1cc(C(=O)NCC2C[NH+](Cc3nc4ccccc4o3)C2)c[nH]1 ZINC001031622237 697344324 /nfs/dbraw/zinc/34/43/24/697344324.db2.gz WXHOZIDKCWPXAN-UHFFFAOYSA-N 1 2 335.367 1.889 20 30 EDEDLO C[C@H](C#N)C(=O)NC[C@@H]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001060740074 697379805 /nfs/dbraw/zinc/37/98/05/697379805.db2.gz RNVOHAFFUNFQAC-XGUBFFRZSA-N 1 2 345.447 1.539 20 30 EDEDLO C[C@H](C#N)C(=O)NC[C@@H]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001060740074 697379808 /nfs/dbraw/zinc/37/98/08/697379808.db2.gz RNVOHAFFUNFQAC-XGUBFFRZSA-N 1 2 345.447 1.539 20 30 EDEDLO N#Cc1ccccc1C[NH+]1CC(CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC001031703166 697679619 /nfs/dbraw/zinc/67/96/19/697679619.db2.gz CFAPEMSEZCUCPT-UHFFFAOYSA-N 1 2 346.394 1.691 20 30 EDEDLO C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060750088 697730392 /nfs/dbraw/zinc/73/03/92/697730392.db2.gz MCKBRFKZAPVBFG-WKILWMFISA-N 1 2 344.459 1.937 20 30 EDEDLO C#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060750088 697730393 /nfs/dbraw/zinc/73/03/93/697730393.db2.gz MCKBRFKZAPVBFG-WKILWMFISA-N 1 2 344.459 1.937 20 30 EDEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@H](C)C1 ZINC000943252469 698012328 /nfs/dbraw/zinc/01/23/28/698012328.db2.gz APMCALSJRMBDHV-OLZOCXBDSA-N 1 2 338.429 1.147 20 30 EDEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(C)(=O)=O)o2)[C@H](C)C1 ZINC000943252469 698012330 /nfs/dbraw/zinc/01/23/30/698012330.db2.gz APMCALSJRMBDHV-OLZOCXBDSA-N 1 2 338.429 1.147 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ncc(C)o3)C[C@H]2C)nn1 ZINC000943480302 698387256 /nfs/dbraw/zinc/38/72/56/698387256.db2.gz BRKXYGQWHTYLKF-TZMCWYRMSA-N 1 2 344.419 1.401 20 30 EDEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ncc(C)o3)C[C@H]2C)nn1 ZINC000943480302 698387261 /nfs/dbraw/zinc/38/72/61/698387261.db2.gz BRKXYGQWHTYLKF-TZMCWYRMSA-N 1 2 344.419 1.401 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C3([C@@H]4CCCCO4)CCC3)CC2)C1 ZINC000941483509 701554224 /nfs/dbraw/zinc/55/42/24/701554224.db2.gz AJLNZHUIALXBEU-SFHVURJKSA-N 1 2 345.487 1.187 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4cc(F)ccc43)CC2)C1 ZINC000941489482 701556782 /nfs/dbraw/zinc/55/67/82/701556782.db2.gz ISTULCZGQJTDKA-LJQANCHMSA-N 1 2 341.430 1.317 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc4ccccc4nn3)CC2)C1 ZINC000941509838 701558890 /nfs/dbraw/zinc/55/88/90/701558890.db2.gz ZCMLSBAKDWLYLG-UHFFFAOYSA-N 1 2 349.438 1.095 20 30 EDEDLO C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 ZINC001031771347 699090354 /nfs/dbraw/zinc/09/03/54/699090354.db2.gz LJSVXTIBSQQOGO-MNOVXSKESA-N 1 2 342.745 1.133 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)CO[C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000941592324 701586183 /nfs/dbraw/zinc/58/61/83/701586183.db2.gz HGLRCDQYWFDYIR-MJGOQNOKSA-N 1 2 347.503 1.433 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(OC)c(C)c3)CC2)C1 ZINC000941605697 701594296 /nfs/dbraw/zinc/59/42/96/701594296.db2.gz UWERYOKMONKTGV-UHFFFAOYSA-N 1 2 327.428 1.079 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)C1 ZINC000941657924 701607239 /nfs/dbraw/zinc/60/72/39/701607239.db2.gz PHDKHPBVFGYHBH-KRWDZBQOSA-N 1 2 341.455 1.306 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)[C@@H]3CCCO3)CC2)C1 ZINC000941650914 701611609 /nfs/dbraw/zinc/61/16/09/701611609.db2.gz KBQKRUIGBHOFPG-AEFFLSMTSA-N 1 2 333.476 1.043 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)COC3CCC(C)CC3)CC2)C1 ZINC000941684945 701629857 /nfs/dbraw/zinc/62/98/57/701629857.db2.gz ICNWMPXOAVALEG-UHFFFAOYSA-N 1 2 347.503 1.433 20 30 EDEDLO O=C(C#CC1CC1)NC[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001060766718 700500328 /nfs/dbraw/zinc/50/03/28/700500328.db2.gz BHNAWXJTZQEFEX-QAQDUYKDSA-N 1 2 342.443 1.478 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nncn3C)CC2(C)C)C1 ZINC000941016408 701056529 /nfs/dbraw/zinc/05/65/29/701056529.db2.gz HGPBAMODTBYEND-CQSZACIVSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nncn3C)CC2(C)C)C1 ZINC000941016408 701056530 /nfs/dbraw/zinc/05/65/30/701056530.db2.gz HGPBAMODTBYEND-CQSZACIVSA-N 1 2 331.464 1.888 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)no2)CC1(C)C ZINC000941039799 701061890 /nfs/dbraw/zinc/06/18/90/701061890.db2.gz UMSPLGWZBGNBIA-QLFBSQMISA-N 1 2 348.447 1.686 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nc(C)no2)CC1(C)C ZINC000941039799 701061892 /nfs/dbraw/zinc/06/18/92/701061892.db2.gz UMSPLGWZBGNBIA-QLFBSQMISA-N 1 2 348.447 1.686 20 30 EDEDLO C[C@H]1C[C@H]1C(=O)N1CCN(C2C[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000941296975 701453433 /nfs/dbraw/zinc/45/34/33/701453433.db2.gz XCKZCKYLZYAPKX-HNAYVOBHSA-N 1 2 338.455 1.543 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCN(C2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000941345632 701480985 /nfs/dbraw/zinc/48/09/85/701480985.db2.gz ZHOPTHFTCZFMSH-OAHLLOKOSA-N 1 2 337.427 1.046 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(Cl)cnn3CC)CC2)C1 ZINC000941420196 701532740 /nfs/dbraw/zinc/53/27/40/701532740.db2.gz UMKIQLYDZJBDTL-UHFFFAOYSA-N 1 2 349.866 1.022 20 30 EDEDLO C#Cc1ccc(C(=O)NCC2C[NH+](Cc3ccncc3Cl)C2)nc1 ZINC001032135408 701896684 /nfs/dbraw/zinc/89/66/84/701896684.db2.gz SXSSNYLGSUCOAD-UHFFFAOYSA-N 1 2 340.814 1.973 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC000944400194 701904465 /nfs/dbraw/zinc/90/44/65/701904465.db2.gz ZXOBKRGUVGPKIW-OAHLLOKOSA-N 1 2 343.431 1.274 20 30 EDEDLO COc1cccnc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001032148990 701927511 /nfs/dbraw/zinc/92/75/11/701927511.db2.gz MNIBBPVQPDVCOY-UHFFFAOYSA-N 1 2 342.424 1.885 20 30 EDEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](Cc2cnon2)C[C@@H]1C ZINC000944445594 702034281 /nfs/dbraw/zinc/03/42/81/702034281.db2.gz PYOOTXBODPXFQP-KSSFIOAISA-N 1 2 338.411 1.620 20 30 EDEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2cnon2)C[C@@H]1C ZINC000944445594 702034289 /nfs/dbraw/zinc/03/42/89/702034289.db2.gz PYOOTXBODPXFQP-KSSFIOAISA-N 1 2 338.411 1.620 20 30 EDEDLO C[C@H]1C[N@H+](Cc2cnns2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965835 702260374 /nfs/dbraw/zinc/26/03/74/702260374.db2.gz CXGWJUYIOFZTEE-GWCFXTLKSA-N 1 2 330.417 1.378 20 30 EDEDLO C[C@H]1C[N@@H+](Cc2cnns2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000941965835 702260378 /nfs/dbraw/zinc/26/03/78/702260378.db2.gz CXGWJUYIOFZTEE-GWCFXTLKSA-N 1 2 330.417 1.378 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1noc2ccc(F)cc12 ZINC001032676633 706696238 /nfs/dbraw/zinc/69/62/38/706696238.db2.gz BCOPJSMHXRMTRZ-KBPBESRZSA-N 1 2 327.359 1.818 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1noc2ccc(F)cc12 ZINC001032676633 706696240 /nfs/dbraw/zinc/69/62/40/706696240.db2.gz BCOPJSMHXRMTRZ-KBPBESRZSA-N 1 2 327.359 1.818 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1 ZINC001032676756 706696336 /nfs/dbraw/zinc/69/63/36/706696336.db2.gz BWJBSXMBIHYEKN-XSLAGTTESA-N 1 2 327.428 1.848 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1 ZINC001032676756 706696338 /nfs/dbraw/zinc/69/63/38/706696338.db2.gz BWJBSXMBIHYEKN-XSLAGTTESA-N 1 2 327.428 1.848 20 30 EDEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@@H](C)C1 ZINC000942518060 703011505 /nfs/dbraw/zinc/01/15/05/703011505.db2.gz LKQRUYDZXACWLH-GXSJLCMTSA-N 1 2 328.338 1.810 20 30 EDEDLO C#CC[N@H+]1CC[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)[C@@H](C)C1 ZINC000942518060 703011507 /nfs/dbraw/zinc/01/15/07/703011507.db2.gz LKQRUYDZXACWLH-GXSJLCMTSA-N 1 2 328.338 1.810 20 30 EDEDLO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000942515083 703017318 /nfs/dbraw/zinc/01/73/18/703017318.db2.gz SQCYJMGIKHNHJO-KMFMINBZSA-N 1 2 346.431 1.041 20 30 EDEDLO COc1ccc(CNC(=O)CO[NH+]=C(N)Cc2ccccc2)cc1 ZINC000072001949 703090965 /nfs/dbraw/zinc/09/09/65/703090965.db2.gz AJHWYXWCXGSRFO-UHFFFAOYSA-N 1 2 327.384 1.843 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](Cc3nc(C)no3)C[C@@H]2C)c1 ZINC000942619049 703148890 /nfs/dbraw/zinc/14/88/90/703148890.db2.gz YVFXMDVTQGFAMA-LRDDRELGSA-N 1 2 339.399 1.395 20 30 EDEDLO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](Cc3nc(C)no3)C[C@@H]2C)c1 ZINC000942619049 703148892 /nfs/dbraw/zinc/14/88/92/703148892.db2.gz YVFXMDVTQGFAMA-LRDDRELGSA-N 1 2 339.399 1.395 20 30 EDEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)ncn1 ZINC001032360489 703216647 /nfs/dbraw/zinc/21/66/47/703216647.db2.gz QGWQJGMPAJYYAA-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)ncn1 ZINC001032360489 703216649 /nfs/dbraw/zinc/21/66/49/703216649.db2.gz QGWQJGMPAJYYAA-IRXDYDNUSA-N 1 2 333.395 1.756 20 30 EDEDLO Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C#N)c2)o1 ZINC001032364476 703250054 /nfs/dbraw/zinc/25/00/54/703250054.db2.gz BWYZJZBBEHTDIT-GJZGRUSLSA-N 1 2 325.372 1.590 20 30 EDEDLO Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(C#N)c2)o1 ZINC001032364476 703250055 /nfs/dbraw/zinc/25/00/55/703250055.db2.gz BWYZJZBBEHTDIT-GJZGRUSLSA-N 1 2 325.372 1.590 20 30 EDEDLO C[C@@H](NC(=O)c1c[nH]c(C#N)c1)C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000997029958 703281270 /nfs/dbraw/zinc/28/12/70/703281270.db2.gz OEKVVCZBMFDBNH-GFCCVEGCSA-N 1 2 341.419 1.045 20 30 EDEDLO CO[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C#N)cc1)C1CC1 ZINC001032382336 703363071 /nfs/dbraw/zinc/36/30/71/703363071.db2.gz BZYJASBUXBSMIX-BZSNNMDCSA-N 1 2 325.412 1.768 20 30 EDEDLO CO[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#N)cc1)C1CC1 ZINC001032382336 703363072 /nfs/dbraw/zinc/36/30/72/703363072.db2.gz BZYJASBUXBSMIX-BZSNNMDCSA-N 1 2 325.412 1.768 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@@H](C)COC)nc1C ZINC001032403107 703421063 /nfs/dbraw/zinc/42/10/63/703421063.db2.gz RTTJHKNMYVHPEU-BPUTZDHNSA-N 1 2 330.432 1.321 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@@H](C)COC)nc1C ZINC001032403107 703421064 /nfs/dbraw/zinc/42/10/64/703421064.db2.gz RTTJHKNMYVHPEU-BPUTZDHNSA-N 1 2 330.432 1.321 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnoc1C ZINC001032411118 703442768 /nfs/dbraw/zinc/44/27/68/703442768.db2.gz ILLGGAFIUVXNOL-NXOAAHMSSA-N 1 2 331.416 1.749 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnoc1C ZINC001032411118 703442771 /nfs/dbraw/zinc/44/27/71/703442771.db2.gz ILLGGAFIUVXNOL-NXOAAHMSSA-N 1 2 331.416 1.749 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)cc1 ZINC000997335344 703563063 /nfs/dbraw/zinc/56/30/63/703563063.db2.gz RJCIHCMIQWLFCT-MRXNPFEDSA-N 1 2 348.406 1.068 20 30 EDEDLO Cn1nccc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001032429475 703593826 /nfs/dbraw/zinc/59/38/26/703593826.db2.gz VUKBLMMZMSIXJL-PMACEKPBSA-N 1 2 348.450 1.690 20 30 EDEDLO Cn1nccc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001032429475 703593827 /nfs/dbraw/zinc/59/38/27/703593827.db2.gz VUKBLMMZMSIXJL-PMACEKPBSA-N 1 2 348.450 1.690 20 30 EDEDLO Cc1ncn(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC001032458403 703638141 /nfs/dbraw/zinc/63/81/41/703638141.db2.gz FTEFILNXSGPTAA-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO Cc1ncn(C)c1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C#N)c1 ZINC001032458403 703638142 /nfs/dbraw/zinc/63/81/42/703638142.db2.gz FTEFILNXSGPTAA-IRXDYDNUSA-N 1 2 335.411 1.699 20 30 EDEDLO Cc1noc(C[NH+]2CCC([C@H](C)NC(=O)c3cc(C#N)c[nH]3)CC2)n1 ZINC000997534500 703787327 /nfs/dbraw/zinc/78/73/27/703787327.db2.gz SOUNMPPEBCAWMU-NSHDSACASA-N 1 2 342.403 1.608 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000999284959 706778085 /nfs/dbraw/zinc/77/80/85/706778085.db2.gz YINCJBOBNNUYBV-ZIAGYGMSSA-N 1 2 328.416 1.207 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C2)C1 ZINC000999293067 706790437 /nfs/dbraw/zinc/79/04/37/706790437.db2.gz NVVARTVVTVDQMV-ZDUSSCGKSA-N 1 2 342.443 1.506 20 30 EDEDLO C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C2)C1 ZINC000999293067 706790440 /nfs/dbraw/zinc/79/04/40/706790440.db2.gz NVVARTVVTVDQMV-ZDUSSCGKSA-N 1 2 342.443 1.506 20 30 EDEDLO Cc1noc([C@@H](C)[NH2+][C@H]2CN(C(=O)c3cc(C#N)c[nH]3)CC2(C)C)n1 ZINC000995633913 704607599 /nfs/dbraw/zinc/60/75/99/704607599.db2.gz JSHLMAJWLROUPD-YGRLFVJLSA-N 1 2 342.403 1.779 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997792926 704699155 /nfs/dbraw/zinc/69/91/55/704699155.db2.gz DQRNEFHLDHPTPC-JQFCIGGWSA-N 1 2 348.447 1.768 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCN1C(=O)CCC1=O ZINC001032607190 705516989 /nfs/dbraw/zinc/51/69/89/705516989.db2.gz HKSHNNLIWCZWRK-SUNYJGFJSA-N 1 2 333.432 1.023 20 30 EDEDLO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCN1C(=O)CCC1=O ZINC001032607190 705516992 /nfs/dbraw/zinc/51/69/92/705516992.db2.gz HKSHNNLIWCZWRK-SUNYJGFJSA-N 1 2 333.432 1.023 20 30 EDEDLO CC(C)CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 ZINC000998744859 706181637 /nfs/dbraw/zinc/18/16/37/706181637.db2.gz DEMLKXVVEFPVJN-KGLIPLIRSA-N 1 2 333.436 1.898 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001033249310 707230534 /nfs/dbraw/zinc/23/05/34/707230534.db2.gz RXNIWEDWNRYVMN-QWHCGFSZSA-N 1 2 328.844 1.062 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001033249310 707230535 /nfs/dbraw/zinc/23/05/35/707230535.db2.gz RXNIWEDWNRYVMN-QWHCGFSZSA-N 1 2 328.844 1.062 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033311304 707465829 /nfs/dbraw/zinc/46/58/29/707465829.db2.gz DALUZUHKMQLUOI-HNNXBMFYSA-N 1 2 326.425 1.736 20 30 EDEDLO CN(C(=O)c1csnn1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033311304 707465832 /nfs/dbraw/zinc/46/58/32/707465832.db2.gz DALUZUHKMQLUOI-HNNXBMFYSA-N 1 2 326.425 1.736 20 30 EDEDLO CN(C(=O)c1csnn1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033313416 707488008 /nfs/dbraw/zinc/48/80/08/707488008.db2.gz WIOPMDKZBIAHDF-CYBMUJFWSA-N 1 2 345.403 1.895 20 30 EDEDLO CN(C(=O)c1csnn1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033313416 707488010 /nfs/dbraw/zinc/48/80/10/707488010.db2.gz WIOPMDKZBIAHDF-CYBMUJFWSA-N 1 2 345.403 1.895 20 30 EDEDLO CC(C)(C(=O)N1CC[C@H](CNc2nccnc2C#N)C1)c1c[nH+]c[nH]1 ZINC001060894739 707643730 /nfs/dbraw/zinc/64/37/30/707643730.db2.gz PSSRUCSKFUOFGF-GFCCVEGCSA-N 1 2 339.403 1.310 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001033484481 707952027 /nfs/dbraw/zinc/95/20/27/707952027.db2.gz FAZFDHXDLPCRCK-CABCVRRESA-N 1 2 339.867 1.673 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 ZINC001033484481 707952028 /nfs/dbraw/zinc/95/20/28/707952028.db2.gz FAZFDHXDLPCRCK-CABCVRRESA-N 1 2 339.867 1.673 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](N(C)C(=O)c3nccs3)C2)C1=O ZINC001033526365 708142452 /nfs/dbraw/zinc/14/24/52/708142452.db2.gz LHBIOYIBWWCESU-CHWSQXEVSA-N 1 2 334.445 1.076 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N(C)C(=O)c3nccs3)C2)C1=O ZINC001033526365 708142455 /nfs/dbraw/zinc/14/24/55/708142455.db2.gz LHBIOYIBWWCESU-CHWSQXEVSA-N 1 2 334.445 1.076 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CNc2cncc(C#N)n2)C1 ZINC001061004537 708150695 /nfs/dbraw/zinc/15/06/95/708150695.db2.gz PRSXSWHXRFWWHB-OLZOCXBDSA-N 1 2 339.403 1.211 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CNc2cncc(C#N)n2)C1 ZINC001061004537 708150697 /nfs/dbraw/zinc/15/06/97/708150697.db2.gz PRSXSWHXRFWWHB-OLZOCXBDSA-N 1 2 339.403 1.211 20 30 EDEDLO Cc1cc(=O)c(C(=O)N(C)[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c[nH]1 ZINC001033553703 708218306 /nfs/dbraw/zinc/21/83/06/708218306.db2.gz FKGAZASKKIXEDE-SFHVURJKSA-N 1 2 349.434 1.881 20 30 EDEDLO Cc1cc(=O)c(C(=O)N(C)[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c[nH]1 ZINC001033553703 708218308 /nfs/dbraw/zinc/21/83/08/708218308.db2.gz FKGAZASKKIXEDE-SFHVURJKSA-N 1 2 349.434 1.881 20 30 EDEDLO N#Cc1cccnc1N1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001061680083 708422995 /nfs/dbraw/zinc/42/29/95/708422995.db2.gz ISTGZHGGTOIZDQ-CQSZACIVSA-N 1 2 346.394 1.857 20 30 EDEDLO Cc1nnc([C@H](C)[NH+]2CCC(N(C)C(=O)c3c[nH]c(C#N)c3)CC2)[nH]1 ZINC001005276619 708504931 /nfs/dbraw/zinc/50/49/31/708504931.db2.gz JMGHZDQINQJDBN-NSHDSACASA-N 1 2 341.419 1.611 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](N(CC)C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001033776832 708703696 /nfs/dbraw/zinc/70/36/96/708703696.db2.gz QVYGXTVCVWBORH-GDBMZVCRSA-N 1 2 345.447 1.041 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N(CC)C(=O)c3cnc(C)[nH]3)C2)C1=O ZINC001033776832 708703699 /nfs/dbraw/zinc/70/36/99/708703699.db2.gz QVYGXTVCVWBORH-GDBMZVCRSA-N 1 2 345.447 1.041 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N(CC)C(=O)c3ccns3)C2)C1=O ZINC001033845137 708889783 /nfs/dbraw/zinc/88/97/83/708889783.db2.gz FVDAICFMWKFEHV-KGLIPLIRSA-N 1 2 348.472 1.466 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](N(CC)C(=O)c3ccns3)C2)C1=O ZINC001033845137 708889785 /nfs/dbraw/zinc/88/97/85/708889785.db2.gz FVDAICFMWKFEHV-KGLIPLIRSA-N 1 2 348.472 1.466 20 30 EDEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001061088677 708967057 /nfs/dbraw/zinc/96/70/57/708967057.db2.gz CSZUHLLWEJUWDZ-GJZGRUSLSA-N 1 2 344.459 1.861 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)Cc2ccon2)CC1 ZINC001002493322 709046441 /nfs/dbraw/zinc/04/64/41/709046441.db2.gz AXPCDQAWKHUMIJ-UHFFFAOYSA-N 1 2 328.210 1.706 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H](Nc2nccnc2C#N)C1 ZINC001061098623 709057762 /nfs/dbraw/zinc/05/77/62/709057762.db2.gz OYDMLNHTIVSVRE-CHWSQXEVSA-N 1 2 339.403 1.462 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033961459 709174880 /nfs/dbraw/zinc/17/48/80/709174880.db2.gz ULVOKPQENUYBET-INMHGKMJSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033961459 709174881 /nfs/dbraw/zinc/17/48/81/709174881.db2.gz ULVOKPQENUYBET-INMHGKMJSA-N 1 2 333.432 1.997 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)Cc2nnc(C)o2)CC1 ZINC001002746621 709359084 /nfs/dbraw/zinc/35/90/84/709359084.db2.gz UINMLZORNLHZML-UHFFFAOYSA-N 1 2 343.225 1.410 20 30 EDEDLO Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)co1 ZINC001034164432 709437601 /nfs/dbraw/zinc/43/76/01/709437601.db2.gz RHTMMFCGEGRXKR-AWEZNQCLSA-N 1 2 327.388 1.967 20 30 EDEDLO Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)co1 ZINC001034164432 709437602 /nfs/dbraw/zinc/43/76/02/709437602.db2.gz RHTMMFCGEGRXKR-AWEZNQCLSA-N 1 2 327.388 1.967 20 30 EDEDLO COc1cc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)on1 ZINC001034164800 709438323 /nfs/dbraw/zinc/43/83/23/709438323.db2.gz SMMRLFIOWPWFET-ZDUSSCGKSA-N 1 2 343.387 1.667 20 30 EDEDLO COc1cc(C[N@H+]2CCCC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)on1 ZINC001034164800 709438324 /nfs/dbraw/zinc/43/83/24/709438324.db2.gz SMMRLFIOWPWFET-ZDUSSCGKSA-N 1 2 343.387 1.667 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cn(C)nn2)C1 ZINC001034212386 709562938 /nfs/dbraw/zinc/56/29/38/709562938.db2.gz JJXWFFMEFRXZJU-OIISXLGYSA-N 1 2 347.463 1.267 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cn(C)nn2)C1 ZINC001034212386 709562940 /nfs/dbraw/zinc/56/29/40/709562940.db2.gz JJXWFFMEFRXZJU-OIISXLGYSA-N 1 2 347.463 1.267 20 30 EDEDLO CN(c1ccncc1C#N)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001061220630 709786087 /nfs/dbraw/zinc/78/60/87/709786087.db2.gz IZOFIVUWZPOIJN-OAHLLOKOSA-N 1 2 338.415 1.357 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](N(C)c2ccnc(C#N)n2)C1 ZINC001061220675 709786496 /nfs/dbraw/zinc/78/64/96/709786496.db2.gz JZZDIRPFFMMVEZ-CYBMUJFWSA-N 1 2 339.403 1.050 20 30 EDEDLO CN(c1ncccc1C#N)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001061220671 709786509 /nfs/dbraw/zinc/78/65/09/709786509.db2.gz JXNAKWNAHZIHRV-HNNXBMFYSA-N 1 2 338.415 1.357 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@@H+](CCS(C)(=O)=O)C2)cc1 ZINC001034340414 709804304 /nfs/dbraw/zinc/80/43/04/709804304.db2.gz NVZYRTWMZBJLME-KRWDZBQOSA-N 1 2 348.468 1.297 20 30 EDEDLO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](CCS(C)(=O)=O)C2)cc1 ZINC001034340414 709804308 /nfs/dbraw/zinc/80/43/08/709804308.db2.gz NVZYRTWMZBJLME-KRWDZBQOSA-N 1 2 348.468 1.297 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)c2[nH]c(=O)[nH]c2C)CC1 ZINC001003091237 709961122 /nfs/dbraw/zinc/96/11/22/709961122.db2.gz ZWLWMTLRXUNMJE-UHFFFAOYSA-N 1 2 343.225 1.527 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001034453487 710060986 /nfs/dbraw/zinc/06/09/86/710060986.db2.gz HKMOIXGMAKDNSV-LBPRGKRZSA-N 1 2 334.811 1.461 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC001034453487 710060989 /nfs/dbraw/zinc/06/09/89/710060989.db2.gz HKMOIXGMAKDNSV-LBPRGKRZSA-N 1 2 334.811 1.461 20 30 EDEDLO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2nc3ncc(C)cn3n2)CC1 ZINC001005557476 710168184 /nfs/dbraw/zinc/16/81/84/710168184.db2.gz RUNCWGPEJUNBKX-UHFFFAOYSA-N 1 2 348.838 1.722 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001034546576 710220441 /nfs/dbraw/zinc/22/04/41/710220441.db2.gz KDTMMZVSLZTYJJ-GFCCVEGCSA-N 1 2 336.823 1.517 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001034546576 710220444 /nfs/dbraw/zinc/22/04/44/710220444.db2.gz KDTMMZVSLZTYJJ-GFCCVEGCSA-N 1 2 336.823 1.517 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)Cn2nccc2C)CC1 ZINC001003716334 710508373 /nfs/dbraw/zinc/50/83/73/710508373.db2.gz JAEOYCMZFSTIAH-UHFFFAOYSA-N 1 2 341.253 1.681 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)c2cn(C(C)C)cn2)C1=O ZINC001038558283 710769113 /nfs/dbraw/zinc/76/91/13/710769113.db2.gz ZZXOVUVQTHYKOX-GOEBONIOSA-N 1 2 345.447 1.055 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)c2cn(C(C)C)cn2)C1=O ZINC001038558283 710769118 /nfs/dbraw/zinc/76/91/18/710769118.db2.gz ZZXOVUVQTHYKOX-GOEBONIOSA-N 1 2 345.447 1.055 20 30 EDEDLO Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001032988112 711123558 /nfs/dbraw/zinc/12/35/58/711123558.db2.gz YHAVPTQQQBCCCG-ZDUSSCGKSA-N 1 2 329.429 1.998 20 30 EDEDLO Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)c3cc(C#N)c[nH]3)C2)s1 ZINC001032988112 711123559 /nfs/dbraw/zinc/12/35/59/711123559.db2.gz YHAVPTQQQBCCCG-ZDUSSCGKSA-N 1 2 329.429 1.998 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3cscn3)CC2)nc1 ZINC001003997753 711234655 /nfs/dbraw/zinc/23/46/55/711234655.db2.gz KDJZOPUVFBGBLV-UHFFFAOYSA-N 1 2 326.425 1.914 20 30 EDEDLO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(F)(F)F)s1 ZINC001034887673 711293322 /nfs/dbraw/zinc/29/33/22/711293322.db2.gz ZATGZKVNTRGUDR-DTWKUNHWSA-N 1 2 347.366 1.797 20 30 EDEDLO N#Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(C3CC3)no2)[nH]1 ZINC001034911564 711339543 /nfs/dbraw/zinc/33/95/43/711339543.db2.gz HLJXMILGUIETEP-CYBMUJFWSA-N 1 2 340.387 1.541 20 30 EDEDLO O=C(C#CC1CC1)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001034935727 711363493 /nfs/dbraw/zinc/36/34/93/711363493.db2.gz WMNDSKWCIOUMQR-OAHLLOKOSA-N 1 2 328.416 1.831 20 30 EDEDLO N#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)CC1 ZINC001004602704 712050562 /nfs/dbraw/zinc/05/05/62/712050562.db2.gz NQSLCEIJUVRXFT-CVEARBPZSA-N 1 2 347.463 1.146 20 30 EDEDLO N#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)CC1 ZINC001004602704 712050563 /nfs/dbraw/zinc/05/05/63/712050563.db2.gz NQSLCEIJUVRXFT-CVEARBPZSA-N 1 2 347.463 1.146 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC001004618499 712079091 /nfs/dbraw/zinc/07/90/91/712079091.db2.gz XGFFAUFFJPANGB-HNNXBMFYSA-N 1 2 341.415 1.021 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2cccnc2C(N)=O)CC1 ZINC001004618499 712079092 /nfs/dbraw/zinc/07/90/92/712079092.db2.gz XGFFAUFFJPANGB-HNNXBMFYSA-N 1 2 341.415 1.021 20 30 EDEDLO C[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004637744 712107064 /nfs/dbraw/zinc/10/70/64/712107064.db2.gz WLSUVFVUFHRJKE-RHSMWYFYSA-N 1 2 329.448 1.750 20 30 EDEDLO C[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1)c1cnn(C)c1 ZINC001004637744 712107066 /nfs/dbraw/zinc/10/70/66/712107066.db2.gz WLSUVFVUFHRJKE-RHSMWYFYSA-N 1 2 329.448 1.750 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001033170271 712319871 /nfs/dbraw/zinc/31/98/71/712319871.db2.gz DXNIDHHJVORGML-NWDGAFQWSA-N 1 2 344.253 1.096 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001033170271 712319875 /nfs/dbraw/zinc/31/98/75/712319875.db2.gz DXNIDHHJVORGML-NWDGAFQWSA-N 1 2 344.253 1.096 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1C#N ZINC000174842305 231322305 /nfs/dbraw/zinc/32/23/05/231322305.db2.gz FWTXZPSWWCORNH-ZIAGYGMSSA-N 1 2 344.415 1.031 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000174932719 231347939 /nfs/dbraw/zinc/34/79/39/231347939.db2.gz WDJTXMGOSGCNAR-CQSZACIVSA-N 1 2 338.415 1.441 20 30 EDEDLO COCC[NH+](CCOC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000098081152 219080482 /nfs/dbraw/zinc/08/04/82/219080482.db2.gz FSPBHRWDBMILHL-UHFFFAOYSA-N 1 2 325.796 1.745 20 30 EDEDLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCc2cccnc21 ZINC000329409496 539434697 /nfs/dbraw/zinc/43/46/97/539434697.db2.gz XUHYBJACNNNQEY-INIZCTEOSA-N 1 2 341.415 1.928 20 30 EDEDLO O=C(NCc1ccc2c(c1)OCCCO2)N1CCn2cc[nH+]c2C1 ZINC000329827702 539467387 /nfs/dbraw/zinc/46/73/87/539467387.db2.gz IXSKMHFCRMJHDC-UHFFFAOYSA-N 1 2 328.372 1.974 20 30 EDEDLO C=CCCc1ccccc1NC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000337607835 539689272 /nfs/dbraw/zinc/68/92/72/539689272.db2.gz RCJLRHUUOCXYOC-UHFFFAOYSA-N 1 2 347.459 1.964 20 30 EDEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1nnc2n1CCC2 ZINC000562984653 306314821 /nfs/dbraw/zinc/31/48/21/306314821.db2.gz DZUPTUNAJVDSKG-LBPRGKRZSA-N 1 2 345.428 1.220 20 30 EDEDLO N#Cc1ccc(NC(=O)CN2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000111301926 138308509 /nfs/dbraw/zinc/30/85/09/138308509.db2.gz VLTUFGWIJNKVHI-GOSISDBHSA-N 1 2 342.443 1.683 20 30 EDEDLO CCCN1C(=O)CC[C@H](C(=O)N[C@H](C)CC#N)[C@H]1c1c[nH+]cn1C ZINC000355380273 283312757 /nfs/dbraw/zinc/31/27/57/283312757.db2.gz VIPPUNOUWOZJPJ-WWGRRREGSA-N 1 2 331.420 1.528 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCO[C@H](C#N)C1)c1cccc(F)c1 ZINC000106329666 237083968 /nfs/dbraw/zinc/08/39/68/237083968.db2.gz CVIXFOMOTZPDMU-HUUCEWRRSA-N 1 2 343.362 1.583 20 30 EDEDLO N#CC1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCOCC1 ZINC000109138471 237104624 /nfs/dbraw/zinc/10/46/24/237104624.db2.gz HZIXLOIORDETSY-UHFFFAOYSA-N 1 2 343.427 1.530 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCCOc1ccc(C(F)(F)F)cc1 ZINC000111181763 237109552 /nfs/dbraw/zinc/10/95/52/237109552.db2.gz VKUNPHWJWVTWMT-UHFFFAOYSA-N 1 2 347.337 1.705 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cncc(C#N)n3)CC2)n1 ZINC000564894251 306368522 /nfs/dbraw/zinc/36/85/22/306368522.db2.gz WPNCGILVVPSQAG-LBPRGKRZSA-N 1 2 343.391 1.151 20 30 EDEDLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cncc(C#N)n3)CC2)n1 ZINC000564894251 306368523 /nfs/dbraw/zinc/36/85/23/306368523.db2.gz WPNCGILVVPSQAG-LBPRGKRZSA-N 1 2 343.391 1.151 20 30 EDEDLO N#Cc1ccsc1NC(=O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000072767853 216303737 /nfs/dbraw/zinc/30/37/37/216303737.db2.gz USANCICTKIOSMA-AWEZNQCLSA-N 1 2 334.445 1.355 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000072767853 216303740 /nfs/dbraw/zinc/30/37/40/216303740.db2.gz USANCICTKIOSMA-AWEZNQCLSA-N 1 2 334.445 1.355 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000072767853 216303743 /nfs/dbraw/zinc/30/37/43/216303743.db2.gz USANCICTKIOSMA-AWEZNQCLSA-N 1 2 334.445 1.355 20 30 EDEDLO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000073108613 216351003 /nfs/dbraw/zinc/35/10/03/216351003.db2.gz MFGMZBSQUWKDJA-QGZVFWFLSA-N 1 2 341.459 1.866 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc(C#N)s1)C2 ZINC000566742685 306427266 /nfs/dbraw/zinc/42/72/66/306427266.db2.gz XCQULSDUCZPTAG-NSHDSACASA-N 1 2 330.413 1.404 20 30 EDEDLO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(C[C@@H](C#N)CCC#N)CC2)C1 ZINC000246758065 249311903 /nfs/dbraw/zinc/31/19/03/249311903.db2.gz XWXDBYPNYAHAGU-FGTMMUONSA-N 1 2 345.491 1.552 20 30 EDEDLO C=C(C)[C@@H](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)OCC ZINC000270058114 249382296 /nfs/dbraw/zinc/38/22/96/249382296.db2.gz SZSHKYZJULONEY-MRXNPFEDSA-N 1 2 333.432 1.906 20 30 EDEDLO CCNc1nc(N2CCC(C#N)(COC)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000343151006 250011967 /nfs/dbraw/zinc/01/19/67/250011967.db2.gz SIWYGBQQXTWRLW-UHFFFAOYSA-N 1 2 347.467 1.692 20 30 EDEDLO CCNc1nc(NC(C)(C)C)nc(N2CCC(C#N)(COC)CC2)[nH+]1 ZINC000343151006 250011973 /nfs/dbraw/zinc/01/19/73/250011973.db2.gz SIWYGBQQXTWRLW-UHFFFAOYSA-N 1 2 347.467 1.692 20 30 EDEDLO CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC(C#N)(COC)CC2)n1 ZINC000343151006 250011976 /nfs/dbraw/zinc/01/19/76/250011976.db2.gz SIWYGBQQXTWRLW-UHFFFAOYSA-N 1 2 347.467 1.692 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1CCCN(CC#N)C1 ZINC000359407952 250154099 /nfs/dbraw/zinc/15/40/99/250154099.db2.gz JUYUTEFEODSNPS-OAHLLOKOSA-N 1 2 325.416 1.697 20 30 EDEDLO C=CCN1C(=O)c2ccc(C(=O)N3CCn4c[nH+]cc4C3)cc2C1=O ZINC000359459800 250155920 /nfs/dbraw/zinc/15/59/20/250155920.db2.gz MISVPOMEFPJEOZ-UHFFFAOYSA-N 1 2 336.351 1.321 20 30 EDEDLO CCCCCCCC[N@@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000372794660 250226057 /nfs/dbraw/zinc/22/60/57/250226057.db2.gz VRSIGJGOZYUTQN-UHFFFAOYSA-N 1 2 337.468 1.309 20 30 EDEDLO CCCCCCCC[N@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000372794660 250226059 /nfs/dbraw/zinc/22/60/59/250226059.db2.gz VRSIGJGOZYUTQN-UHFFFAOYSA-N 1 2 337.468 1.309 20 30 EDEDLO C=CCOc1ccc(CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000378079393 250296044 /nfs/dbraw/zinc/29/60/44/250296044.db2.gz MSRIXWYMARBQQQ-DLBZAZTESA-N 1 2 331.416 1.476 20 30 EDEDLO C=CCOc1ccc(CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000378079393 250296048 /nfs/dbraw/zinc/29/60/48/250296048.db2.gz MSRIXWYMARBQQQ-DLBZAZTESA-N 1 2 331.416 1.476 20 30 EDEDLO C=CCN(C)C(=O)C(=O)N1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000410892537 250396481 /nfs/dbraw/zinc/39/64/81/250396481.db2.gz OGDLDKWJDGLUNF-OAHLLOKOSA-N 1 2 340.427 1.980 20 30 EDEDLO C=CCNC(=O)CNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000416188607 251055643 /nfs/dbraw/zinc/05/56/43/251055643.db2.gz IXWGALVDPCIURK-UHFFFAOYSA-N 1 2 338.411 1.255 20 30 EDEDLO C=CCNC(=O)CNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000416188607 251055647 /nfs/dbraw/zinc/05/56/47/251055647.db2.gz IXWGALVDPCIURK-UHFFFAOYSA-N 1 2 338.411 1.255 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000458445823 254925283 /nfs/dbraw/zinc/92/52/83/254925283.db2.gz COHPMIZQNCDHPU-CALCHBBNSA-N 1 2 344.415 1.099 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000458445823 254925285 /nfs/dbraw/zinc/92/52/85/254925285.db2.gz COHPMIZQNCDHPU-CALCHBBNSA-N 1 2 344.415 1.099 20 30 EDEDLO Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263801668 139361416 /nfs/dbraw/zinc/36/14/16/139361416.db2.gz VVYMYBQOHQSFRB-UHFFFAOYSA-N 1 2 337.383 1.654 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488745567 255052055 /nfs/dbraw/zinc/05/20/55/255052055.db2.gz LLJFPJVOSJQAQT-IAGOWNOFSA-N 1 2 348.491 1.653 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488745567 255052056 /nfs/dbraw/zinc/05/20/56/255052056.db2.gz LLJFPJVOSJQAQT-IAGOWNOFSA-N 1 2 348.491 1.653 20 30 EDEDLO C=CCCCS(=O)(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000489034106 255062525 /nfs/dbraw/zinc/06/25/25/255062525.db2.gz BZMTYQHJPOUZPD-UHFFFAOYSA-N 1 2 338.473 1.979 20 30 EDEDLO C#CC[N@@H+](C)CC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C ZINC000491287065 255120912 /nfs/dbraw/zinc/12/09/12/255120912.db2.gz KMIYUEDRRSIRNZ-INIZCTEOSA-N 1 2 327.384 1.375 20 30 EDEDLO C#CC[N@H+](C)CC1=C(C(=O)OC)[C@H](c2ccccc2)NC(=O)N1C ZINC000491287065 255120913 /nfs/dbraw/zinc/12/09/13/255120913.db2.gz KMIYUEDRRSIRNZ-INIZCTEOSA-N 1 2 327.384 1.375 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)CC1 ZINC000490760208 255105369 /nfs/dbraw/zinc/10/53/69/255105369.db2.gz KBUBXIDAVNLYTK-AWEZNQCLSA-N 1 2 334.489 1.530 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+](C)[C@@H](C)c2sc(C)nc2C)CC1 ZINC000490760208 255105371 /nfs/dbraw/zinc/10/53/71/255105371.db2.gz KBUBXIDAVNLYTK-AWEZNQCLSA-N 1 2 334.489 1.530 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)Oc3ccc(OC)cc32)CC1 ZINC000490778356 255106420 /nfs/dbraw/zinc/10/64/20/255106420.db2.gz FAKRJKXHERIGPI-OAHLLOKOSA-N 1 2 343.427 1.060 20 30 EDEDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000493112753 255191998 /nfs/dbraw/zinc/19/19/98/255191998.db2.gz DXYAPMAQXOLFPO-ARJAWSKDSA-N 1 2 336.399 1.532 20 30 EDEDLO C=CCN1CCN(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000496297935 255377228 /nfs/dbraw/zinc/37/72/28/255377228.db2.gz ZYIWHAJUTWMCMO-CQSZACIVSA-N 1 2 338.452 1.857 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000496297935 255377229 /nfs/dbraw/zinc/37/72/29/255377229.db2.gz ZYIWHAJUTWMCMO-CQSZACIVSA-N 1 2 338.452 1.857 20 30 EDEDLO CC(C)C(=O)N1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000263928796 139370216 /nfs/dbraw/zinc/37/02/16/139370216.db2.gz LHSJACICTQAZHP-UHFFFAOYSA-N 1 2 342.443 1.365 20 30 EDEDLO CC(C)C(=O)N1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000263928796 139370217 /nfs/dbraw/zinc/37/02/17/139370217.db2.gz LHSJACICTQAZHP-UHFFFAOYSA-N 1 2 342.443 1.365 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]1CO ZINC000118401208 221147727 /nfs/dbraw/zinc/14/77/27/221147727.db2.gz KVKANEIVCZEHCT-HNNXBMFYSA-N 1 2 325.372 1.139 20 30 EDEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1CO ZINC000118401208 221147731 /nfs/dbraw/zinc/14/77/31/221147731.db2.gz KVKANEIVCZEHCT-HNNXBMFYSA-N 1 2 325.372 1.139 20 30 EDEDLO COCC1(C#N)CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000342023702 269725308 /nfs/dbraw/zinc/72/53/08/269725308.db2.gz UCTRUFZXALBUOS-AWEZNQCLSA-N 1 2 344.440 1.977 20 30 EDEDLO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000264321878 139396963 /nfs/dbraw/zinc/39/69/63/139396963.db2.gz VLZJAQYSFCPDHR-UONOGXRCSA-N 1 2 347.415 1.171 20 30 EDEDLO CCN1CCN(C(=O)c2ccc(C#N)c(O)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332328646 141163022 /nfs/dbraw/zinc/16/30/22/141163022.db2.gz OZXKSAIMFGKNQM-AWEZNQCLSA-N 1 2 325.372 1.506 20 30 EDEDLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)n1cnc(C#N)n1)C2 ZINC000336989815 141503004 /nfs/dbraw/zinc/50/30/04/141503004.db2.gz JYXHXSNQYNVIBK-LLVKDONJSA-N 1 2 327.392 1.153 20 30 EDEDLO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000339698552 142124098 /nfs/dbraw/zinc/12/40/98/142124098.db2.gz WMQUHTIJMHSXDQ-UHFFFAOYSA-N 1 2 347.378 1.481 20 30 EDEDLO N#Cc1ccc([C@H]([NH2+][C@H]2CCCN(c3cccnc3)C2=O)C(N)=O)cc1 ZINC000342715265 142748792 /nfs/dbraw/zinc/74/87/92/142748792.db2.gz CVJHGLJKQBTHRP-IRXDYDNUSA-N 1 2 349.394 1.265 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000347242883 143299364 /nfs/dbraw/zinc/29/93/64/143299364.db2.gz BVHCUISVOHTKJB-KRWDZBQOSA-N 1 2 341.415 1.676 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000347242883 143299365 /nfs/dbraw/zinc/29/93/65/143299365.db2.gz BVHCUISVOHTKJB-KRWDZBQOSA-N 1 2 341.415 1.676 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)[C@@H](C)Oc2ccccc2C#N)CCO1 ZINC000347643855 143344751 /nfs/dbraw/zinc/34/47/51/143344751.db2.gz XIZXEUBKHHCBGU-ZBFHGGJFSA-N 1 2 331.416 1.553 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H](C)Oc2ccccc2C#N)CCO1 ZINC000347643855 143344752 /nfs/dbraw/zinc/34/47/52/143344752.db2.gz XIZXEUBKHHCBGU-ZBFHGGJFSA-N 1 2 331.416 1.553 20 30 EDEDLO Cc1cc(N2CCC[C@H]([NH2+]Cc3nc(C#N)cs3)C2=O)n(C)n1 ZINC000352836529 149186074 /nfs/dbraw/zinc/18/60/74/149186074.db2.gz MMDUUUFRBUVMCC-LBPRGKRZSA-N 1 2 330.417 1.342 20 30 EDEDLO N#Cc1csc(CN[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000352835311 149186110 /nfs/dbraw/zinc/18/61/10/149186110.db2.gz LBDDTANKCKTYIS-RDJZCZTQSA-N 1 2 342.468 1.987 20 30 EDEDLO N#Cc1csc(CN[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1 ZINC000352835311 149186112 /nfs/dbraw/zinc/18/61/12/149186112.db2.gz LBDDTANKCKTYIS-RDJZCZTQSA-N 1 2 342.468 1.987 20 30 EDEDLO Cc1nn(C)c(C)c1[C@H]1[C@@H]([NH2+]Cc2nc(C#N)cs2)CC(=O)N1C ZINC000352869321 149196625 /nfs/dbraw/zinc/19/66/25/149196625.db2.gz HIIBAUMZCIYUQX-BLLLJJGKSA-N 1 2 344.444 1.427 20 30 EDEDLO N#Cc1ccnc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c1 ZINC000352876098 149199327 /nfs/dbraw/zinc/19/93/27/149199327.db2.gz JWPPVUAANWAYDE-UHFFFAOYSA-N 1 2 339.380 1.999 20 30 EDEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)C1 ZINC000354899437 150019198 /nfs/dbraw/zinc/01/91/98/150019198.db2.gz LZEUABUKZQJPLH-KRWDZBQOSA-N 1 2 343.427 1.492 20 30 EDEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCc2ccc(C#N)cc2)C1 ZINC000354899437 150019199 /nfs/dbraw/zinc/01/91/99/150019199.db2.gz LZEUABUKZQJPLH-KRWDZBQOSA-N 1 2 343.427 1.492 20 30 EDEDLO C[C@@H](c1cccnc1)[NH+]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000357866962 151177258 /nfs/dbraw/zinc/17/72/58/151177258.db2.gz HGIAIBOEPFGHLP-HNAYVOBHSA-N 1 2 349.438 1.858 20 30 EDEDLO C[C@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000370050554 155303582 /nfs/dbraw/zinc/30/35/82/155303582.db2.gz RHFVFMKNZURHJH-YJBOKZPZSA-N 1 2 342.443 1.035 20 30 EDEDLO C[C@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000370050554 155303586 /nfs/dbraw/zinc/30/35/86/155303586.db2.gz RHFVFMKNZURHJH-YJBOKZPZSA-N 1 2 342.443 1.035 20 30 EDEDLO C[C@H]1CN(C(=O)c2ccc(C#N)c(Cl)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000367400813 154106455 /nfs/dbraw/zinc/10/64/55/154106455.db2.gz XCCRTUVBWFDPCZ-FZMZJTMJSA-N 1 2 334.807 1.399 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000373797407 157008746 /nfs/dbraw/zinc/00/87/46/157008746.db2.gz OQAXUPIWOKLCJW-SJLPKXTDSA-N 1 2 329.400 1.767 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000373797407 157008749 /nfs/dbraw/zinc/00/87/49/157008749.db2.gz OQAXUPIWOKLCJW-SJLPKXTDSA-N 1 2 329.400 1.767 20 30 EDEDLO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCc3c[nH+]cn3C)C2)n1 ZINC000378142527 158090195 /nfs/dbraw/zinc/09/01/95/158090195.db2.gz YSYKMKFLVIRAST-OAHLLOKOSA-N 1 2 338.415 1.528 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](C3(C(N)=O)CCCCC3)CC2)s1 ZINC000378346141 158147599 /nfs/dbraw/zinc/14/75/99/158147599.db2.gz PCEVPEOGQXITFE-UHFFFAOYSA-N 1 2 332.473 1.926 20 30 EDEDLO COC(=O)[C@@H]1CCCCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000378570732 158210912 /nfs/dbraw/zinc/21/09/12/158210912.db2.gz OPZFVMBIKVYMIS-INIZCTEOSA-N 1 2 329.400 1.592 20 30 EDEDLO COC(=O)[C@@H]1CCCCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000378570732 158210914 /nfs/dbraw/zinc/21/09/14/158210914.db2.gz OPZFVMBIKVYMIS-INIZCTEOSA-N 1 2 329.400 1.592 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCC[NH+]2CCSCC2)cc1C#N ZINC000352462569 162194414 /nfs/dbraw/zinc/19/44/14/162194414.db2.gz SQHMTGJDVNQEGV-UHFFFAOYSA-N 1 2 338.458 1.159 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3cncnc3)CC2)cc1 ZINC000292155972 270010724 /nfs/dbraw/zinc/01/07/24/270010724.db2.gz FDSQZWBYGPCBPB-UHFFFAOYSA-N 1 2 335.411 1.625 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c1 ZINC000528787725 270015726 /nfs/dbraw/zinc/01/57/26/270015726.db2.gz GZVSKMQXAABUAY-INIZCTEOSA-N 1 2 337.383 1.507 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c1 ZINC000528787725 270015727 /nfs/dbraw/zinc/01/57/27/270015727.db2.gz GZVSKMQXAABUAY-INIZCTEOSA-N 1 2 337.383 1.507 20 30 EDEDLO N#Cc1c(Br)cccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000439576346 270013439 /nfs/dbraw/zinc/01/34/39/270013439.db2.gz VRQFZFSIUYOSIV-LLVKDONJSA-N 1 2 340.221 1.426 20 30 EDEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 ZINC000280636539 267058841 /nfs/dbraw/zinc/05/88/41/267058841.db2.gz XUWCNELEAUGAMT-LJHODMEESA-N 1 2 341.411 1.543 20 30 EDEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 ZINC000280636539 267058843 /nfs/dbraw/zinc/05/88/43/267058843.db2.gz XUWCNELEAUGAMT-LJHODMEESA-N 1 2 341.411 1.543 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296909642 267137315 /nfs/dbraw/zinc/13/73/15/267137315.db2.gz WFOHOVSJAXHCQN-DOMZBBRYSA-N 1 2 330.388 1.658 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296909642 267137321 /nfs/dbraw/zinc/13/73/21/267137321.db2.gz WFOHOVSJAXHCQN-DOMZBBRYSA-N 1 2 330.388 1.658 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2=O)cc1 ZINC000288643580 268114691 /nfs/dbraw/zinc/11/46/91/268114691.db2.gz RRDOUKQAQQYHSS-HNNXBMFYSA-N 1 2 337.383 1.526 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000285004931 268188077 /nfs/dbraw/zinc/18/80/77/268188077.db2.gz YYQDIGHXAHBNJQ-IAGOWNOFSA-N 1 2 334.441 1.975 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000285004931 268188078 /nfs/dbraw/zinc/18/80/78/268188078.db2.gz YYQDIGHXAHBNJQ-IAGOWNOFSA-N 1 2 334.441 1.975 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000292783141 268191615 /nfs/dbraw/zinc/19/16/15/268191615.db2.gz YDRCXDQBXSHCFN-GFCCVEGCSA-N 1 2 334.376 1.989 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1Cl ZINC000420447668 268257339 /nfs/dbraw/zinc/25/73/39/268257339.db2.gz QOTYUOSURASVKO-SNVBAGLBSA-N 1 2 349.790 1.735 20 30 EDEDLO N#Cc1nc(NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1[N+](=O)[O-] ZINC000302724289 268325186 /nfs/dbraw/zinc/32/51/86/268325186.db2.gz MWHUGIYQQZGYJU-HNNXBMFYSA-N 1 2 349.416 1.481 20 30 EDEDLO Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)ccc1C#N ZINC000277967802 268599966 /nfs/dbraw/zinc/59/99/66/268599966.db2.gz LFAFIYPXMYRFKL-WMLDXEAASA-N 1 2 349.456 1.208 20 30 EDEDLO COc1ccc(C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)cc1OCCCC#N ZINC000414578543 447315301 /nfs/dbraw/zinc/31/53/01/447315301.db2.gz IEIVVSMBJBTVIP-KDOFPFPSSA-N 1 2 334.416 1.959 20 30 EDEDLO COc1ccc(C[N@H+]2CCO[C@H]([C@@H](C)O)C2)cc1OCCCC#N ZINC000414578543 447315304 /nfs/dbraw/zinc/31/53/04/447315304.db2.gz IEIVVSMBJBTVIP-KDOFPFPSSA-N 1 2 334.416 1.959 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cc2n(n1)CCCC2 ZINC000287419686 303153136 /nfs/dbraw/zinc/15/31/36/303153136.db2.gz ROKWHTTXWHHGRC-UHFFFAOYSA-N 1 2 346.435 1.299 20 30 EDEDLO Cc1cnn([C@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)c1 ZINC000377765842 447344074 /nfs/dbraw/zinc/34/40/74/447344074.db2.gz VGOJMYOINLUAKJ-INIZCTEOSA-N 1 2 344.440 1.784 20 30 EDEDLO Cc1cnn([C@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)c1 ZINC000377765842 447344081 /nfs/dbraw/zinc/34/40/81/447344081.db2.gz VGOJMYOINLUAKJ-INIZCTEOSA-N 1 2 344.440 1.784 20 30 EDEDLO N#C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2=O)C[C@]12C(=O)Nc1ccccc12 ZINC000378291017 447414544 /nfs/dbraw/zinc/41/45/44/447414544.db2.gz NPBNDMJLGCSUIV-VFVRVIDISA-N 1 2 325.368 1.285 20 30 EDEDLO N#C[C@@H]1C[N@H+](CC[C@@H]2CCOC2=O)C[C@]12C(=O)Nc1ccccc12 ZINC000378291017 447414548 /nfs/dbraw/zinc/41/45/48/447414548.db2.gz NPBNDMJLGCSUIV-VFVRVIDISA-N 1 2 325.368 1.285 20 30 EDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C(=O)OCC)cn2)CC1 ZINC000045097071 440949043 /nfs/dbraw/zinc/94/90/43/440949043.db2.gz ZTXPFQZPXOXJPT-CQSZACIVSA-N 1 2 346.431 1.071 20 30 EDEDLO N#CC1CC[NH+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000057906628 441142792 /nfs/dbraw/zinc/14/27/92/441142792.db2.gz VSHPADWXIAMYFY-UHFFFAOYSA-N 1 2 336.342 1.255 20 30 EDEDLO CCO[C@H](C)c1noc(CN(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000081158577 441237189 /nfs/dbraw/zinc/23/71/89/441237189.db2.gz NOONIRNTAQHLJK-CQSZACIVSA-N 1 2 337.424 1.215 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000105797120 441271838 /nfs/dbraw/zinc/27/18/38/441271838.db2.gz LJRALMVHLSADHB-UHFFFAOYSA-N 1 2 334.464 1.834 20 30 EDEDLO C=CC[N@H+](CC(=O)N1CCNC(=O)C1)Cc1ccc(Cl)s1 ZINC000024240705 441307538 /nfs/dbraw/zinc/30/75/38/441307538.db2.gz BKNREKMULRCVSU-UHFFFAOYSA-N 1 2 327.837 1.348 20 30 EDEDLO C=CC[N@@H+](CC(=O)N1CCNC(=O)C1)Cc1ccc(Cl)s1 ZINC000024240705 441307542 /nfs/dbraw/zinc/30/75/42/441307542.db2.gz BKNREKMULRCVSU-UHFFFAOYSA-N 1 2 327.837 1.348 20 30 EDEDLO N#Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)nc1 ZINC000107538862 441419079 /nfs/dbraw/zinc/41/90/79/441419079.db2.gz LKCYSVOYWJMZCU-UHFFFAOYSA-N 1 2 336.395 1.715 20 30 EDEDLO CCOCCNC(=O)CO[NH+]=C(N)c1cccc(C(F)(F)F)c1 ZINC000084505601 441404316 /nfs/dbraw/zinc/40/43/16/441404316.db2.gz CYKPTWLZBSJJKA-UHFFFAOYSA-N 1 2 333.310 1.495 20 30 EDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000029856827 441476119 /nfs/dbraw/zinc/47/61/19/441476119.db2.gz GZTXSSREGBVQPN-CQSZACIVSA-N 1 2 330.407 1.830 20 30 EDEDLO N#Cc1ccccc1N1CCC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000109163865 441489952 /nfs/dbraw/zinc/48/99/52/441489952.db2.gz ZPAOXLTUCDJDNW-INIZCTEOSA-N 1 2 338.415 1.723 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000110033527 441513966 /nfs/dbraw/zinc/51/39/66/441513966.db2.gz CAKZLZJXEYJBTJ-KEYYUXOJSA-N 1 2 331.416 1.849 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000110033527 441513971 /nfs/dbraw/zinc/51/39/71/441513971.db2.gz CAKZLZJXEYJBTJ-KEYYUXOJSA-N 1 2 331.416 1.849 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccco2)CC1 ZINC000053440862 441522963 /nfs/dbraw/zinc/52/29/63/441522963.db2.gz VCESBXCKEVBOAI-CRAIPNDOSA-N 1 2 332.448 1.840 20 30 EDEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000066469741 441534382 /nfs/dbraw/zinc/53/43/82/441534382.db2.gz KPSQWVFQZDJLIH-KGLIPLIRSA-N 1 2 332.404 1.044 20 30 EDEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000066469741 441534387 /nfs/dbraw/zinc/53/43/87/441534387.db2.gz KPSQWVFQZDJLIH-KGLIPLIRSA-N 1 2 332.404 1.044 20 30 EDEDLO COc1ccc(C[NH+]2CCN(C(=O)CN(C)C[C@H](C)C#N)CC2)cc1 ZINC000066470603 441535829 /nfs/dbraw/zinc/53/58/29/441535829.db2.gz KWJQHUNGMNPDBT-MRXNPFEDSA-N 1 2 344.459 1.431 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCCC[NH+]2CCCCC2)cc1C#N ZINC000075775220 441555122 /nfs/dbraw/zinc/55/51/22/441555122.db2.gz MSEJLKYDQXWXKO-UHFFFAOYSA-N 1 2 334.445 1.987 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CC(C)(CO)CO)c1C#N ZINC000091072189 441657042 /nfs/dbraw/zinc/65/70/42/441657042.db2.gz FAJNKGXGYMUWKO-UHFFFAOYSA-N 1 2 328.416 1.475 20 30 EDEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CC(C)(CO)CO)c1C#N ZINC000091072189 441657046 /nfs/dbraw/zinc/65/70/46/441657046.db2.gz FAJNKGXGYMUWKO-UHFFFAOYSA-N 1 2 328.416 1.475 20 30 EDEDLO N#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000076669255 441673066 /nfs/dbraw/zinc/67/30/66/441673066.db2.gz BSZOHWUCYOKCBW-UHFFFAOYSA-N 1 2 334.807 1.128 20 30 EDEDLO N#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000076669255 441673068 /nfs/dbraw/zinc/67/30/68/441673068.db2.gz BSZOHWUCYOKCBW-UHFFFAOYSA-N 1 2 334.807 1.128 20 30 EDEDLO N#Cc1ccc(OC2C[NH+](C[C@@H](O)COCc3ccco3)C2)cc1 ZINC000158566900 441746358 /nfs/dbraw/zinc/74/63/58/441746358.db2.gz VTCPJHWIDDORCR-OAHLLOKOSA-N 1 2 328.368 1.792 20 30 EDEDLO Cc1c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cnn1CC(C)C ZINC000160084347 441858192 /nfs/dbraw/zinc/85/81/92/441858192.db2.gz UNKLGSMRLNLNFG-UHFFFAOYSA-N 1 2 347.463 1.536 20 30 EDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000160751726 441917057 /nfs/dbraw/zinc/91/70/57/441917057.db2.gz NNAGVMCVZJRCAH-AWEZNQCLSA-N 1 2 332.423 1.730 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC[C@H](C)C2)CC1 ZINC000078678655 441962298 /nfs/dbraw/zinc/96/22/98/441962298.db2.gz JSKSZGYUNAQBJX-IRXDYDNUSA-N 1 2 333.476 1.487 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC[C@H](C)C2)CC1 ZINC000078678655 441962306 /nfs/dbraw/zinc/96/23/06/441962306.db2.gz JSKSZGYUNAQBJX-IRXDYDNUSA-N 1 2 333.476 1.487 20 30 EDEDLO N#Cc1cccc(CS(=O)(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000151122498 442009123 /nfs/dbraw/zinc/00/91/23/442009123.db2.gz SCVIQBDXQQXSDY-QGZVFWFLSA-N 1 2 343.408 1.936 20 30 EDEDLO C=CCCCN(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000125416503 442019076 /nfs/dbraw/zinc/01/90/76/442019076.db2.gz MNMHXCMBXDPHRQ-INIZCTEOSA-N 1 2 327.494 1.802 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121167076 442186729 /nfs/dbraw/zinc/18/67/29/442186729.db2.gz GPVNSXYWCHZAII-AWEZNQCLSA-N 1 2 340.427 1.830 20 30 EDEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121167076 442186734 /nfs/dbraw/zinc/18/67/34/442186734.db2.gz GPVNSXYWCHZAII-AWEZNQCLSA-N 1 2 340.427 1.830 20 30 EDEDLO CCN(CC)C(=O)CN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000126922450 442154092 /nfs/dbraw/zinc/15/40/92/442154092.db2.gz HUMQBKSERAMOIO-SFHVURJKSA-N 1 2 344.459 1.078 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000126922450 442154096 /nfs/dbraw/zinc/15/40/96/442154096.db2.gz HUMQBKSERAMOIO-SFHVURJKSA-N 1 2 344.459 1.078 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1nnc(-c2ccccc2)s1 ZINC000127997854 442238951 /nfs/dbraw/zinc/23/89/51/442238951.db2.gz UZGDPZGVAMNVIJ-UHFFFAOYSA-N 1 2 333.417 1.326 20 30 EDEDLO Cc1cc(-c2noc(CO[NH+]=C(N)CN3CCOCC3)n2)ccc1F ZINC000153716750 442298336 /nfs/dbraw/zinc/29/83/36/442298336.db2.gz KTJBRGDGYKJVRX-UHFFFAOYSA-N 1 2 349.366 1.305 20 30 EDEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OCCCO)CC1 ZINC000155070245 442374165 /nfs/dbraw/zinc/37/41/65/442374165.db2.gz AEINSFHBNCWVPK-QGZVFWFLSA-N 1 2 332.400 1.636 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000172294339 442436963 /nfs/dbraw/zinc/43/69/63/442436963.db2.gz TXGXLKPLEGOYPE-AWEZNQCLSA-N 1 2 337.807 1.623 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172294339 442436965 /nfs/dbraw/zinc/43/69/65/442436965.db2.gz TXGXLKPLEGOYPE-AWEZNQCLSA-N 1 2 337.807 1.623 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191628703 442478653 /nfs/dbraw/zinc/47/86/53/442478653.db2.gz FALHOSHVVMQDNI-KBPBESRZSA-N 1 2 348.422 1.737 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191628703 442478658 /nfs/dbraw/zinc/47/86/58/442478658.db2.gz FALHOSHVVMQDNI-KBPBESRZSA-N 1 2 348.422 1.737 20 30 EDEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000180073526 442537918 /nfs/dbraw/zinc/53/79/18/442537918.db2.gz SYBQGRBZNYORTB-CQSZACIVSA-N 1 2 332.404 1.773 20 30 EDEDLO CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000173011855 442584931 /nfs/dbraw/zinc/58/49/31/442584931.db2.gz PXNVBKBNGRDWPL-UHFFFAOYSA-N 1 2 327.837 1.926 20 30 EDEDLO CC(C)NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186558261 442560758 /nfs/dbraw/zinc/56/07/58/442560758.db2.gz YMPJTVJSIVZROU-CQSZACIVSA-N 1 2 328.416 1.288 20 30 EDEDLO C[C@H](NC(=O)CNC(=O)C[NH+]1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000173267543 442635848 /nfs/dbraw/zinc/63/58/48/442635848.db2.gz XEYQNVJTVNGNJI-ZDUSSCGKSA-N 1 2 346.406 1.355 20 30 EDEDLO O=C(C#Cc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000136096320 442650242 /nfs/dbraw/zinc/65/02/42/442650242.db2.gz XJQBMHMYUPDUHD-UHFFFAOYSA-N 1 2 349.390 1.506 20 30 EDEDLO Cc1ncc(C[N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)s1 ZINC000180569347 442624309 /nfs/dbraw/zinc/62/43/09/442624309.db2.gz DVMBYCDTWQSRFJ-MRXNPFEDSA-N 1 2 349.504 1.576 20 30 EDEDLO Cc1ncc(C[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)s1 ZINC000180569347 442624314 /nfs/dbraw/zinc/62/43/14/442624314.db2.gz DVMBYCDTWQSRFJ-MRXNPFEDSA-N 1 2 349.504 1.576 20 30 EDEDLO C=CCNC(=O)C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000181129242 442681594 /nfs/dbraw/zinc/68/15/94/442681594.db2.gz GDGZKSDHHYIIMO-UHFFFAOYSA-N 1 2 331.397 1.931 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181563783 442704047 /nfs/dbraw/zinc/70/40/47/442704047.db2.gz DPPPOZISFZKMIY-GOEBONIOSA-N 1 2 331.416 1.330 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181563783 442704049 /nfs/dbraw/zinc/70/40/49/442704049.db2.gz DPPPOZISFZKMIY-GOEBONIOSA-N 1 2 331.416 1.330 20 30 EDEDLO N#Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1O ZINC000188274400 442732326 /nfs/dbraw/zinc/73/23/26/442732326.db2.gz QNRWMQIXYTXYBY-UHFFFAOYSA-N 1 2 338.367 1.425 20 30 EDEDLO C[N@H+](CC(=O)NC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182633596 442799078 /nfs/dbraw/zinc/79/90/78/442799078.db2.gz CHOLQQZKVZPVAK-INIZCTEOSA-N 1 2 342.443 1.900 20 30 EDEDLO C[N@@H+](CC(=O)NC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182633596 442799080 /nfs/dbraw/zinc/79/90/80/442799080.db2.gz CHOLQQZKVZPVAK-INIZCTEOSA-N 1 2 342.443 1.900 20 30 EDEDLO C=CCSCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000194563005 442914151 /nfs/dbraw/zinc/91/41/51/442914151.db2.gz XAZNBUCBYUPGNU-UHFFFAOYSA-N 1 2 336.461 1.637 20 30 EDEDLO Cn1c(Cl)cnc1C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000183269351 442914271 /nfs/dbraw/zinc/91/42/71/442914271.db2.gz OERMSULUXYZSLW-ZDUSSCGKSA-N 1 2 334.807 1.817 20 30 EDEDLO Cn1c(Cl)cnc1C[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000183269351 442914277 /nfs/dbraw/zinc/91/42/77/442914277.db2.gz OERMSULUXYZSLW-ZDUSSCGKSA-N 1 2 334.807 1.817 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)c1ccccc1F ZINC000268386487 442970498 /nfs/dbraw/zinc/97/04/98/442970498.db2.gz ZKRAGYALBCOWJZ-CXAGYDPISA-N 1 2 341.390 1.731 20 30 EDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)c1ccccc1F ZINC000268386487 442970502 /nfs/dbraw/zinc/97/05/02/442970502.db2.gz ZKRAGYALBCOWJZ-CXAGYDPISA-N 1 2 341.390 1.731 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCN(C)C(=O)[C@H]2C)c(OC)c1 ZINC000249537026 442983948 /nfs/dbraw/zinc/98/39/48/442983948.db2.gz CSXYRGMFPYEKIJ-GDBMZVCRSA-N 1 2 348.443 1.326 20 30 EDEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCN(C)C(=O)[C@H]2C)c(OC)c1 ZINC000249537026 442983954 /nfs/dbraw/zinc/98/39/54/442983954.db2.gz CSXYRGMFPYEKIJ-GDBMZVCRSA-N 1 2 348.443 1.326 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+](CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000268543473 443028403 /nfs/dbraw/zinc/02/84/03/443028403.db2.gz HEUMNNORDMINNP-OAHLLOKOSA-N 1 2 328.478 1.476 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+](CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000268543473 443028408 /nfs/dbraw/zinc/02/84/08/443028408.db2.gz HEUMNNORDMINNP-OAHLLOKOSA-N 1 2 328.478 1.476 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000266351301 443104461 /nfs/dbraw/zinc/10/44/61/443104461.db2.gz XLGACILUFCHVAT-HNNXBMFYSA-N 1 2 335.429 1.044 20 30 EDEDLO CC(C)(C#N)c1ccccc1CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000268942997 443154545 /nfs/dbraw/zinc/15/45/45/443154545.db2.gz CAGHIJUHQOCCKP-UHFFFAOYSA-N 1 2 328.460 1.869 20 30 EDEDLO Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccnc(C#N)c1 ZINC000610992829 450400623 /nfs/dbraw/zinc/40/06/23/450400623.db2.gz MWFFKOXEHDELKU-GOSISDBHSA-N 1 2 346.394 1.583 20 30 EDEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000278519220 443351068 /nfs/dbraw/zinc/35/10/68/443351068.db2.gz CIIKQYVWZCXULX-IRXDYDNUSA-N 1 2 333.457 1.826 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(S(=O)(=O)CCCC#N)C1 ZINC000282528358 443365032 /nfs/dbraw/zinc/36/50/32/443365032.db2.gz IDZWDCFWBFLBGV-ZDUSSCGKSA-N 1 2 338.433 1.234 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000278582562 443368385 /nfs/dbraw/zinc/36/83/85/443368385.db2.gz JTOJIQMJGBLQTE-GOSISDBHSA-N 1 2 336.407 1.806 20 30 EDEDLO N#CCOc1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000270625904 443478021 /nfs/dbraw/zinc/47/80/21/443478021.db2.gz IAHJKFMICZRMNY-INIZCTEOSA-N 1 2 344.415 1.917 20 30 EDEDLO NC(Cc1ccccc1Cl)=[NH+]OCC1CCS(=O)(=O)CC1 ZINC000271114230 443491348 /nfs/dbraw/zinc/49/13/48/443491348.db2.gz CKBMVROQZDBBKE-UHFFFAOYSA-N 1 2 330.837 1.996 20 30 EDEDLO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000282846353 443449102 /nfs/dbraw/zinc/44/91/02/443449102.db2.gz LEDIKXSQVIXATE-UHFFFAOYSA-N 1 2 342.447 1.685 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000273653643 443584450 /nfs/dbraw/zinc/58/44/50/443584450.db2.gz ZIGPSFZKMIVDCW-OAHLLOKOSA-N 1 2 330.432 1.517 20 30 EDEDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279435016 443586230 /nfs/dbraw/zinc/58/62/30/443586230.db2.gz QTBVTRMLYQPIED-MRXNPFEDSA-N 1 2 338.415 1.569 20 30 EDEDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279435016 443586236 /nfs/dbraw/zinc/58/62/36/443586236.db2.gz QTBVTRMLYQPIED-MRXNPFEDSA-N 1 2 338.415 1.569 20 30 EDEDLO C#CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC)C1CC1 ZINC000274223168 443599102 /nfs/dbraw/zinc/59/91/02/443599102.db2.gz VOEBTIINXRQONG-KRWDZBQOSA-N 1 2 326.396 1.211 20 30 EDEDLO C#CC[N@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC)C1CC1 ZINC000274223168 443599106 /nfs/dbraw/zinc/59/91/06/443599106.db2.gz VOEBTIINXRQONG-KRWDZBQOSA-N 1 2 326.396 1.211 20 30 EDEDLO CC1(C)C[N@H+](CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000279626134 443611160 /nfs/dbraw/zinc/61/11/60/443611160.db2.gz VDPBLGTWYFWTMF-QGZVFWFLSA-N 1 2 340.427 1.468 20 30 EDEDLO CC1(C)C[N@@H+](CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCO1 ZINC000279626134 443611162 /nfs/dbraw/zinc/61/11/62/443611162.db2.gz VDPBLGTWYFWTMF-QGZVFWFLSA-N 1 2 340.427 1.468 20 30 EDEDLO C=C[C@@](C)(CCOC)C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000276266485 443678636 /nfs/dbraw/zinc/67/86/36/443678636.db2.gz QJIGTIWFIUZGIZ-CJNGLKHVSA-N 1 2 325.478 1.851 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(C(F)F)cc2)CC1 ZINC000286804582 443725057 /nfs/dbraw/zinc/72/50/57/443725057.db2.gz ZBDXXWQVIYKPSJ-UHFFFAOYSA-N 1 2 328.384 1.954 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284713276 443785107 /nfs/dbraw/zinc/78/51/07/443785107.db2.gz VDYIQGQLNMHKQJ-HOCLYGCPSA-N 1 2 330.388 1.504 20 30 EDEDLO COc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284713276 443785109 /nfs/dbraw/zinc/78/51/09/443785109.db2.gz VDYIQGQLNMHKQJ-HOCLYGCPSA-N 1 2 330.388 1.504 20 30 EDEDLO CC[C@@H](C(=O)OC)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000276702069 443796695 /nfs/dbraw/zinc/79/66/95/443796695.db2.gz PEDKLHGBMYGXAD-MRXNPFEDSA-N 1 2 329.400 1.402 20 30 EDEDLO COCc1noc([C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292067104 443775516 /nfs/dbraw/zinc/77/55/16/443775516.db2.gz CJUNUDCKVXCKSI-YPMHNXCESA-N 1 2 329.360 1.697 20 30 EDEDLO COCc1noc([C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000292067104 443775519 /nfs/dbraw/zinc/77/55/19/443775519.db2.gz CJUNUDCKVXCKSI-YPMHNXCESA-N 1 2 329.360 1.697 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H](O[NH+]=C(N)[C@@H]3CCCO3)C2=O)cc1 ZINC000284479549 443776868 /nfs/dbraw/zinc/77/68/68/443776868.db2.gz RRGQUFFBSNWXKW-LSDHHAIUSA-N 1 2 328.372 1.521 20 30 EDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292205029 443782702 /nfs/dbraw/zinc/78/27/02/443782702.db2.gz OAEVHXNAQCPZPY-AWEZNQCLSA-N 1 2 340.387 1.385 20 30 EDEDLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292205029 443782707 /nfs/dbraw/zinc/78/27/07/443782707.db2.gz OAEVHXNAQCPZPY-AWEZNQCLSA-N 1 2 340.387 1.385 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2cccc(C(C)=O)c2)C1=O ZINC000281206613 443847159 /nfs/dbraw/zinc/84/71/59/443847159.db2.gz CVXVARJJUWYYBI-SJLPKXTDSA-N 1 2 346.427 1.348 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2cccc(C(C)=O)c2)C1=O ZINC000281206613 443847165 /nfs/dbraw/zinc/84/71/65/443847165.db2.gz CVXVARJJUWYYBI-SJLPKXTDSA-N 1 2 346.427 1.348 20 30 EDEDLO C#CCN(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000292641515 443806326 /nfs/dbraw/zinc/80/63/26/443806326.db2.gz YCJJPCFBNSOEPC-UHFFFAOYSA-N 1 2 328.416 1.364 20 30 EDEDLO C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000281388899 443897859 /nfs/dbraw/zinc/89/78/59/443897859.db2.gz HWVUJLVLAXAHRL-AWEZNQCLSA-N 1 2 346.431 1.636 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)c2cc(C#N)ccn2)C1 ZINC000288643402 443943157 /nfs/dbraw/zinc/94/31/57/443943157.db2.gz UJEOCIKGNSXBTP-AWEZNQCLSA-N 1 2 337.383 1.708 20 30 EDEDLO CC#CC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000293076244 443918777 /nfs/dbraw/zinc/91/87/77/443918777.db2.gz JGXRAHVNYXCHAF-SFHVURJKSA-N 1 2 342.418 1.490 20 30 EDEDLO CC#CC[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000293076244 443918782 /nfs/dbraw/zinc/91/87/82/443918782.db2.gz JGXRAHVNYXCHAF-SFHVURJKSA-N 1 2 342.418 1.490 20 30 EDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cc2c(cc1Cl)OCCO2 ZINC000288574679 443923128 /nfs/dbraw/zinc/92/31/28/443923128.db2.gz KOFSJMANFMDZQS-UHFFFAOYSA-N 1 2 341.795 1.815 20 30 EDEDLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000299033550 443934162 /nfs/dbraw/zinc/93/41/62/443934162.db2.gz IDYNWXZLDSLTEA-INIZCTEOSA-N 1 2 341.459 1.866 20 30 EDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3nc(C)cc(OCC)n3)CC2)C1=O ZINC000281927809 444041805 /nfs/dbraw/zinc/04/18/05/444041805.db2.gz HSTFAWVUKMOZPF-OAHLLOKOSA-N 1 2 345.447 1.093 20 30 EDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000281807368 444010840 /nfs/dbraw/zinc/01/08/40/444010840.db2.gz RALKNJGPIQAWNG-UONOGXRCSA-N 1 2 347.444 1.859 20 30 EDEDLO N#Cc1ccc(CN2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2=O)cc1 ZINC000281867244 444026539 /nfs/dbraw/zinc/02/65/39/444026539.db2.gz NWLFYZBTYQANKO-INIZCTEOSA-N 1 2 337.383 1.131 20 30 EDEDLO N#Cc1ccc(CN2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2=O)cc1 ZINC000281867244 444026542 /nfs/dbraw/zinc/02/65/42/444026542.db2.gz NWLFYZBTYQANKO-INIZCTEOSA-N 1 2 337.383 1.131 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1COc2ccccc2C1 ZINC000299526461 444070637 /nfs/dbraw/zinc/07/06/37/444070637.db2.gz MORSTLIBSFPGEG-QGZVFWFLSA-N 1 2 343.427 1.312 20 30 EDEDLO C=CCC1(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000619104925 450410159 /nfs/dbraw/zinc/41/01/59/450410159.db2.gz XTRAPBXQJYUYSP-MRXNPFEDSA-N 1 2 349.475 1.172 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)C1=O ZINC000282088571 444083022 /nfs/dbraw/zinc/08/30/22/444083022.db2.gz VBTJELWJHQPWLH-INIZCTEOSA-N 1 2 331.391 1.370 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCO[C@]4(CCSC4)C3)C2=O)cc1 ZINC000563069225 321092575 /nfs/dbraw/zinc/09/25/75/321092575.db2.gz UUZCSMBOSGGMSA-SJLPKXTDSA-N 1 2 343.452 1.871 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCO[C@]4(CCSC4)C3)C2=O)cc1 ZINC000563069225 321092576 /nfs/dbraw/zinc/09/25/76/321092576.db2.gz UUZCSMBOSGGMSA-SJLPKXTDSA-N 1 2 343.452 1.871 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000563403170 321108736 /nfs/dbraw/zinc/10/87/36/321108736.db2.gz ITHPAUMCQKAZCI-IUODEOHRSA-N 1 2 325.372 1.535 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000563403170 321108738 /nfs/dbraw/zinc/10/87/38/321108738.db2.gz ITHPAUMCQKAZCI-IUODEOHRSA-N 1 2 325.372 1.535 20 30 EDEDLO COC(=O)c1ccc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(C#N)n1 ZINC000564665839 321140323 /nfs/dbraw/zinc/14/03/23/321140323.db2.gz ACWPWLWWOOYLDD-QWHCGFSZSA-N 1 2 330.388 1.039 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000299653428 444106805 /nfs/dbraw/zinc/10/68/05/444106805.db2.gz SZWSTMJMOIPAJX-AWEZNQCLSA-N 1 2 349.438 1.896 20 30 EDEDLO C#CCO[C@@H](C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000294814857 444146193 /nfs/dbraw/zinc/14/61/93/444146193.db2.gz VOZZKFPZOUNDOE-INIZCTEOSA-N 1 2 346.427 1.052 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)C(C)C ZINC000282355590 444155784 /nfs/dbraw/zinc/15/57/84/444155784.db2.gz VUBGWACNUTZPBB-GDBMZVCRSA-N 1 2 330.432 1.764 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3Br)CC[C@@H]21 ZINC000285967556 444164759 /nfs/dbraw/zinc/16/47/59/444164759.db2.gz NVJLFRIKBLZVGQ-KGLIPLIRSA-N 1 2 349.232 1.919 20 30 EDEDLO CN1C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Br)CC[C@@H]21 ZINC000285967556 444164761 /nfs/dbraw/zinc/16/47/61/444164761.db2.gz NVJLFRIKBLZVGQ-KGLIPLIRSA-N 1 2 349.232 1.919 20 30 EDEDLO C#CCO[C@@H](C)C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000295315401 444177735 /nfs/dbraw/zinc/17/77/35/444177735.db2.gz OMTLUKGYWVZADH-LSDHHAIUSA-N 1 2 336.457 1.584 20 30 EDEDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000302728692 444221922 /nfs/dbraw/zinc/22/19/22/444221922.db2.gz PCLLZPWVJLSMQL-UHFFFAOYSA-N 1 2 342.359 1.789 20 30 EDEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000576937945 321608610 /nfs/dbraw/zinc/60/86/10/321608610.db2.gz RZMORFCGQWFAQC-GFCCVEGCSA-N 1 2 325.409 1.802 20 30 EDEDLO CCCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000302838656 444226711 /nfs/dbraw/zinc/22/67/11/444226711.db2.gz SPHBUDZWTITHCO-GOEBONIOSA-N 1 2 341.477 1.084 20 30 EDEDLO CCCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000302838656 444226712 /nfs/dbraw/zinc/22/67/12/444226712.db2.gz SPHBUDZWTITHCO-GOEBONIOSA-N 1 2 341.477 1.084 20 30 EDEDLO C#CCOc1ccc(C[N@@H+](CCOC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000290425250 444279104 /nfs/dbraw/zinc/27/91/04/444279104.db2.gz LAKXYGAQQUBUNT-INIZCTEOSA-N 1 2 337.441 1.334 20 30 EDEDLO C#CCOc1ccc(C[N@H+](CCOC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000290425250 444279106 /nfs/dbraw/zinc/27/91/06/444279106.db2.gz LAKXYGAQQUBUNT-INIZCTEOSA-N 1 2 337.441 1.334 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000297516232 444295334 /nfs/dbraw/zinc/29/53/34/444295334.db2.gz MTXARKOLSWOGST-INIZCTEOSA-N 1 2 342.443 1.487 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000297901044 444352660 /nfs/dbraw/zinc/35/26/60/444352660.db2.gz YQGBAENBJKLPCD-CVEARBPZSA-N 1 2 342.443 1.337 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000297901044 444352666 /nfs/dbraw/zinc/35/26/66/444352666.db2.gz YQGBAENBJKLPCD-CVEARBPZSA-N 1 2 342.443 1.337 20 30 EDEDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CSC2(C)C)CC1 ZINC000328790823 444353802 /nfs/dbraw/zinc/35/38/02/444353802.db2.gz YZEVFJNQNDNYKD-ZDUSSCGKSA-N 1 2 342.509 1.280 20 30 EDEDLO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000331001883 444354374 /nfs/dbraw/zinc/35/43/74/444354374.db2.gz FYWZVURXJIHHMG-UHFFFAOYSA-N 1 2 337.376 1.840 20 30 EDEDLO COC(=O)[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC000331003580 444354850 /nfs/dbraw/zinc/35/48/50/444354850.db2.gz GMNRYZMFWLZNBE-ZIAGYGMSSA-N 1 2 341.452 1.142 20 30 EDEDLO COC(=O)[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC000331003580 444354851 /nfs/dbraw/zinc/35/48/51/444354851.db2.gz GMNRYZMFWLZNBE-ZIAGYGMSSA-N 1 2 341.452 1.142 20 30 EDEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCNC1=O ZINC000340222743 444371694 /nfs/dbraw/zinc/37/16/94/444371694.db2.gz OBDAHDWRTNIRQX-GXTWGEPZSA-N 1 2 346.456 1.697 20 30 EDEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340222743 444371700 /nfs/dbraw/zinc/37/17/00/444371700.db2.gz OBDAHDWRTNIRQX-GXTWGEPZSA-N 1 2 346.456 1.697 20 30 EDEDLO C=CCn1c([C@H](C)CC)nnc1N1CC[NH+](CC(=O)NCC)CC1 ZINC000337731896 444379118 /nfs/dbraw/zinc/37/91/18/444379118.db2.gz AGZAVBZCMDRQRZ-CQSZACIVSA-N 1 2 334.468 1.236 20 30 EDEDLO CCc1nc(C)c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)s1 ZINC000331087580 444388761 /nfs/dbraw/zinc/38/87/61/444388761.db2.gz DVHNWGYZICFOCX-HNNXBMFYSA-N 1 2 327.450 1.402 20 30 EDEDLO Cc1ccccc1C(=O)NCC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328904990 444395880 /nfs/dbraw/zinc/39/58/80/444395880.db2.gz JRCCVLJUMQTABH-HOTGVXAUSA-N 1 2 331.416 1.231 20 30 EDEDLO Cc1ccccc1C(=O)NCC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328904990 444395885 /nfs/dbraw/zinc/39/58/85/444395885.db2.gz JRCCVLJUMQTABH-HOTGVXAUSA-N 1 2 331.416 1.231 20 30 EDEDLO CSc1[nH]c(=O)c(C(=O)NCC2([NH+](C)C)CCCC2)cc1C#N ZINC000340632327 444465241 /nfs/dbraw/zinc/46/52/41/444465241.db2.gz CQZAQJSNXRQHGC-UHFFFAOYSA-N 1 2 334.445 1.985 20 30 EDEDLO C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340651944 444471732 /nfs/dbraw/zinc/47/17/32/444471732.db2.gz URYSJFMZQCRPSK-ZDUSSCGKSA-N 1 2 332.429 1.664 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000337838323 444431435 /nfs/dbraw/zinc/43/14/35/444431435.db2.gz KDAVVTDFWRXIRO-QGZVFWFLSA-N 1 2 342.443 1.555 20 30 EDEDLO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000337838323 444431439 /nfs/dbraw/zinc/43/14/39/444431439.db2.gz KDAVVTDFWRXIRO-QGZVFWFLSA-N 1 2 342.443 1.555 20 30 EDEDLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCCCO1 ZINC000328704240 444435657 /nfs/dbraw/zinc/43/56/57/444435657.db2.gz OSNNVPDEQHDOSJ-KRWDZBQOSA-N 1 2 333.432 1.871 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329122673 444477629 /nfs/dbraw/zinc/47/76/29/444477629.db2.gz RHUUYFXILQLZQG-HLLBOEOZSA-N 1 2 334.420 1.600 20 30 EDEDLO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000329122673 444477633 /nfs/dbraw/zinc/47/76/33/444477633.db2.gz RHUUYFXILQLZQG-HLLBOEOZSA-N 1 2 334.420 1.600 20 30 EDEDLO CC(C)[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CCO1 ZINC000329141264 444482176 /nfs/dbraw/zinc/48/21/76/444482176.db2.gz KCUYTGYNGWJIHD-SJORKVTESA-N 1 2 349.479 1.655 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2CN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]21 ZINC000329181668 444494302 /nfs/dbraw/zinc/49/43/02/444494302.db2.gz NMXXAVKGBUGCGS-MCIONIFRSA-N 1 2 346.435 1.193 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000331991229 444494353 /nfs/dbraw/zinc/49/43/53/444494353.db2.gz XWQHIXVJFHDTSX-WBVHZDCISA-N 1 2 345.447 1.598 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000332031293 444496684 /nfs/dbraw/zinc/49/66/84/444496684.db2.gz SAMRUJAJJWHGDP-CJNGLKHVSA-N 1 2 330.423 1.702 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(CC(F)F)CC1 ZINC000332031293 444496688 /nfs/dbraw/zinc/49/66/88/444496688.db2.gz SAMRUJAJJWHGDP-CJNGLKHVSA-N 1 2 330.423 1.702 20 30 EDEDLO O=C(N[C@@H]1CCCN(c2ncccn2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000329259533 444515366 /nfs/dbraw/zinc/51/53/66/444515366.db2.gz AQSRYISPBOIEBB-OAHLLOKOSA-N 1 2 345.447 1.657 20 30 EDEDLO C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccnc(C#N)c3)CC2)C1 ZINC000342195605 444558968 /nfs/dbraw/zinc/55/89/68/444558968.db2.gz CDCIIOBCVATUCW-JKSUJKDBSA-N 1 2 341.459 1.770 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)COC3)CC1 ZINC000329425310 444574792 /nfs/dbraw/zinc/57/47/92/444574792.db2.gz IKSDNKBZAKUGRZ-UHFFFAOYSA-N 1 2 331.416 1.841 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c(c2)COC3)CC1 ZINC000329425310 444574794 /nfs/dbraw/zinc/57/47/94/444574794.db2.gz IKSDNKBZAKUGRZ-UHFFFAOYSA-N 1 2 331.416 1.841 20 30 EDEDLO Cc1cc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)cc(C#N)n1 ZINC000342232160 444578010 /nfs/dbraw/zinc/57/80/10/444578010.db2.gz VXRUCLCODVWBFZ-IBGZPJMESA-N 1 2 343.475 1.493 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC000329364324 444550357 /nfs/dbraw/zinc/55/03/57/444550357.db2.gz JNDCEVHUIOGGSQ-RDBSUJKOSA-N 1 2 331.482 1.140 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC000329364324 444550359 /nfs/dbraw/zinc/55/03/59/444550359.db2.gz JNDCEVHUIOGGSQ-RDBSUJKOSA-N 1 2 331.482 1.140 20 30 EDEDLO O=C(NCc1cccnc1N1CCOCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329454222 444586704 /nfs/dbraw/zinc/58/67/04/444586704.db2.gz NVBHQRDXYAFQPU-CQSZACIVSA-N 1 2 341.415 1.834 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCOCC2(CCOCC2)C1 ZINC000329497933 444604581 /nfs/dbraw/zinc/60/45/81/444604581.db2.gz FGPCEQKMGMAUHP-UHFFFAOYSA-N 1 2 348.447 1.762 20 30 EDEDLO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000338278711 444607505 /nfs/dbraw/zinc/60/75/05/444607505.db2.gz OIZQVDFLPCGWSY-WBVHZDCISA-N 1 2 349.456 1.213 20 30 EDEDLO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000338278711 444607510 /nfs/dbraw/zinc/60/75/10/444607510.db2.gz OIZQVDFLPCGWSY-WBVHZDCISA-N 1 2 349.456 1.213 20 30 EDEDLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCSC1 ZINC000329536250 444618535 /nfs/dbraw/zinc/61/85/35/444618535.db2.gz UHOXLMWNKZYENC-KGLIPLIRSA-N 1 2 341.477 1.019 20 30 EDEDLO CCO[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCc3[nH]c[nH+]c3C2)[C@@]12CCCO2 ZINC000329617523 444650509 /nfs/dbraw/zinc/65/05/09/444650509.db2.gz QDCRGTCGUQRJHU-MVQRFQBOSA-N 1 2 334.420 1.497 20 30 EDEDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000329645140 444662675 /nfs/dbraw/zinc/66/26/75/444662675.db2.gz JFIIOWGSHPZDSW-LLVKDONJSA-N 1 2 347.423 1.717 20 30 EDEDLO C[C@H](CNC(=O)N1CCO[C@@H](C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000329671868 444674130 /nfs/dbraw/zinc/67/41/30/444674130.db2.gz NIBWSSJHQIOKKG-NVXWUHKLSA-N 1 2 339.480 1.902 20 30 EDEDLO C[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C(=O)N1CCCC[C@H]1C ZINC000329605367 444645675 /nfs/dbraw/zinc/64/56/75/444645675.db2.gz MBEQLWGUJYLDCC-FRRDWIJNSA-N 1 2 333.436 1.560 20 30 EDEDLO C[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C(=O)N1CCCC[C@H]1C ZINC000329605367 444645678 /nfs/dbraw/zinc/64/56/78/444645678.db2.gz MBEQLWGUJYLDCC-FRRDWIJNSA-N 1 2 333.436 1.560 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC(Cn2cncn2)CC1 ZINC000329732630 444696266 /nfs/dbraw/zinc/69/62/66/444696266.db2.gz QHNBCTLONYYSAC-ZDUSSCGKSA-N 1 2 329.408 1.185 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCC(Cn2cncn2)CC1 ZINC000329732630 444696269 /nfs/dbraw/zinc/69/62/69/444696269.db2.gz QHNBCTLONYYSAC-ZDUSSCGKSA-N 1 2 329.408 1.185 20 30 EDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)CN1CCc2ccccc2C1=O ZINC000329880591 444751798 /nfs/dbraw/zinc/75/17/98/444751798.db2.gz NSZKGDXZBDMJIK-CQSZACIVSA-N 1 2 331.416 1.362 20 30 EDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)CN1CCc2ccccc2C1=O ZINC000329880591 444751802 /nfs/dbraw/zinc/75/18/02/444751802.db2.gz NSZKGDXZBDMJIK-CQSZACIVSA-N 1 2 331.416 1.362 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c(F)c1 ZINC000334029854 444752321 /nfs/dbraw/zinc/75/23/21/444752321.db2.gz KAQVGKMRXPWRIZ-UHFFFAOYSA-N 1 2 337.420 1.697 20 30 EDEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2C=CCCC2)cn1 ZINC000329902429 444760511 /nfs/dbraw/zinc/76/05/11/444760511.db2.gz HQLSRFORKKYDAG-JYJNAYRXSA-N 1 2 335.427 1.945 20 30 EDEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2C=CCCC2)cn1 ZINC000329902429 444760514 /nfs/dbraw/zinc/76/05/14/444760514.db2.gz HQLSRFORKKYDAG-JYJNAYRXSA-N 1 2 335.427 1.945 20 30 EDEDLO Cc1nnc([C@@H]2CC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)[nH]1 ZINC000334059315 444766417 /nfs/dbraw/zinc/76/64/17/444766417.db2.gz XTBLCTHRRHEVNA-CQSZACIVSA-N 1 2 330.436 1.587 20 30 EDEDLO Cc1nnc([C@@H]2CC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)[nH]1 ZINC000334059315 444766419 /nfs/dbraw/zinc/76/64/19/444766419.db2.gz XTBLCTHRRHEVNA-CQSZACIVSA-N 1 2 330.436 1.587 20 30 EDEDLO Cc1n[nH]c([C@@H]2CC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n1 ZINC000334059315 444766420 /nfs/dbraw/zinc/76/64/20/444766420.db2.gz XTBLCTHRRHEVNA-CQSZACIVSA-N 1 2 330.436 1.587 20 30 EDEDLO Cc1n[nH]c([C@@H]2CC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n1 ZINC000334059315 444766422 /nfs/dbraw/zinc/76/64/22/444766422.db2.gz XTBLCTHRRHEVNA-CQSZACIVSA-N 1 2 330.436 1.587 20 30 EDEDLO Cc1nc([C@@H]2CC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n[nH]1 ZINC000334059315 444766424 /nfs/dbraw/zinc/76/64/24/444766424.db2.gz XTBLCTHRRHEVNA-CQSZACIVSA-N 1 2 330.436 1.587 20 30 EDEDLO Cc1nc([C@@H]2CC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)n[nH]1 ZINC000334059315 444766425 /nfs/dbraw/zinc/76/64/25/444766425.db2.gz XTBLCTHRRHEVNA-CQSZACIVSA-N 1 2 330.436 1.587 20 30 EDEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)N1CCn3ncnc3C1)C2 ZINC000329939476 444779071 /nfs/dbraw/zinc/77/90/71/444779071.db2.gz TWJYIKHFSCQLQS-LBPRGKRZSA-N 1 2 343.435 1.517 20 30 EDEDLO CCC1(CNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CCOCC1 ZINC000329947320 444781917 /nfs/dbraw/zinc/78/19/17/444781917.db2.gz GVYKJPABDROVJR-OAHLLOKOSA-N 1 2 349.479 1.829 20 30 EDEDLO C[C@@H]1OCC[C@]12CN(C(=O)NC[C@H]1CCCn3cc[nH+]c31)CCO2 ZINC000329978750 444796783 /nfs/dbraw/zinc/79/67/83/444796783.db2.gz IDNRDDYATNBIRR-VBQJREDUSA-N 1 2 334.420 1.554 20 30 EDEDLO O=C(N[C@H]1[C@@H]2COC[C@@H]21)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000330031354 444818361 /nfs/dbraw/zinc/81/83/61/444818361.db2.gz TUZGGBSTVHBDEU-QLPKVWCKSA-N 1 2 341.415 1.011 20 30 EDEDLO C[C@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)n1cnc(C#N)n1 ZINC000336892838 444837998 /nfs/dbraw/zinc/83/79/98/444837998.db2.gz PCSJMRARCARFOM-CYBMUJFWSA-N 1 2 339.403 1.412 20 30 EDEDLO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000330055677 444828032 /nfs/dbraw/zinc/82/80/32/444828032.db2.gz USKWBTJWVYULNV-MRXNPFEDSA-N 1 2 348.447 1.903 20 30 EDEDLO Cc1cc(CN2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)on1 ZINC000330192801 444880414 /nfs/dbraw/zinc/88/04/14/444880414.db2.gz NXBGYGBXLSEPPO-AWEZNQCLSA-N 1 2 344.419 1.226 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000330209264 444889468 /nfs/dbraw/zinc/88/94/68/444889468.db2.gz BNCKRXDVRWHDTA-IAGOWNOFSA-N 1 2 349.475 1.868 20 30 EDEDLO C[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1)[NH+]1CCOCC1 ZINC000330209919 444889560 /nfs/dbraw/zinc/88/95/60/444889560.db2.gz HYPUJXDRPZENPV-FMKPAKJESA-N 1 2 343.493 1.265 20 30 EDEDLO COCc1cccc(CNC(=O)C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000330269423 444915405 /nfs/dbraw/zinc/91/54/05/444915405.db2.gz JGXUMZNQBDBVDE-SJORKVTESA-N 1 2 333.432 1.304 20 30 EDEDLO COCc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)c1 ZINC000330269423 444915408 /nfs/dbraw/zinc/91/54/08/444915408.db2.gz JGXUMZNQBDBVDE-SJORKVTESA-N 1 2 333.432 1.304 20 30 EDEDLO COCc1cccc(CNC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1 ZINC000330269423 444915411 /nfs/dbraw/zinc/91/54/11/444915411.db2.gz JGXUMZNQBDBVDE-SJORKVTESA-N 1 2 333.432 1.304 20 30 EDEDLO COCc1cccc(CNC(=O)CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1 ZINC000330269423 444915414 /nfs/dbraw/zinc/91/54/14/444915414.db2.gz JGXUMZNQBDBVDE-SJORKVTESA-N 1 2 333.432 1.304 20 30 EDEDLO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccccc2O)CC1 ZINC000330275419 444917801 /nfs/dbraw/zinc/91/78/01/444917801.db2.gz LMDDUGOMGSVBNJ-AWEZNQCLSA-N 1 2 341.415 1.640 20 30 EDEDLO Cc1nnc([C@@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CCO2)[nH]1 ZINC000330351075 444948458 /nfs/dbraw/zinc/94/84/58/444948458.db2.gz LUSGZFIMYBBGIT-ZDUSSCGKSA-N 1 2 345.407 1.133 20 30 EDEDLO Cc1nc([C@@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CCO2)n[nH]1 ZINC000330351075 444948463 /nfs/dbraw/zinc/94/84/63/444948463.db2.gz LUSGZFIMYBBGIT-ZDUSSCGKSA-N 1 2 345.407 1.133 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3nc4ccccc4s3)C[C@@H]21 ZINC000330356944 444951105 /nfs/dbraw/zinc/95/11/05/444951105.db2.gz SFXCIMZEICEWBW-STQMWFEESA-N 1 2 332.429 1.899 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3nc4ccccc4s3)C[C@@H]21 ZINC000330356944 444951109 /nfs/dbraw/zinc/95/11/09/444951109.db2.gz SFXCIMZEICEWBW-STQMWFEESA-N 1 2 332.429 1.899 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](CC)CC(=O)NCc2ccc(F)cc2)C1=O ZINC000337139975 444958479 /nfs/dbraw/zinc/95/84/79/444958479.db2.gz SWSQSSPNONBTRP-INIZCTEOSA-N 1 2 333.407 1.551 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](CC)CC(=O)NCc2ccc(F)cc2)C1=O ZINC000337139975 444958485 /nfs/dbraw/zinc/95/84/85/444958485.db2.gz SWSQSSPNONBTRP-INIZCTEOSA-N 1 2 333.407 1.551 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)CCC2 ZINC000330411998 444970961 /nfs/dbraw/zinc/97/09/61/444970961.db2.gz LVMLVGICTNQPLF-STQMWFEESA-N 1 2 325.438 1.137 20 30 EDEDLO CCNC(=O)C[NH+]1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000341740745 444980507 /nfs/dbraw/zinc/98/05/07/444980507.db2.gz ATCRHYLWQWZGKE-UHFFFAOYSA-N 1 2 346.822 1.117 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(C)nn2C(C)(C)C)C1=O ZINC000337219305 444990894 /nfs/dbraw/zinc/99/08/94/444990894.db2.gz JRADKOCWPSVNIZ-CQSZACIVSA-N 1 2 347.463 1.604 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C)nn2C(C)(C)C)C1=O ZINC000337219305 444990897 /nfs/dbraw/zinc/99/08/97/444990897.db2.gz JRADKOCWPSVNIZ-CQSZACIVSA-N 1 2 347.463 1.604 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCc2ccc(F)cc2)C1=O ZINC000337225567 444993174 /nfs/dbraw/zinc/99/31/74/444993174.db2.gz OMDQABJGQVDJLV-MRXNPFEDSA-N 1 2 333.407 1.203 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCc2ccc(F)cc2)C1=O ZINC000337225567 444993180 /nfs/dbraw/zinc/99/31/80/444993180.db2.gz OMDQABJGQVDJLV-MRXNPFEDSA-N 1 2 333.407 1.203 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1=O ZINC000337229638 444995775 /nfs/dbraw/zinc/99/57/75/444995775.db2.gz SAXQQWYFOLBNJK-CYBMUJFWSA-N 1 2 337.351 1.961 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1=O ZINC000337229638 444995783 /nfs/dbraw/zinc/99/57/83/444995783.db2.gz SAXQQWYFOLBNJK-CYBMUJFWSA-N 1 2 337.351 1.961 20 30 EDEDLO N#CC1(NC(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2F)CCC1 ZINC000337235711 444997441 /nfs/dbraw/zinc/99/74/41/444997441.db2.gz XTONPEIIPYNDIC-GFCCVEGCSA-N 1 2 325.771 1.665 20 30 EDEDLO N#CC1(CCCn2c3ccccc3[nH+]c2NCCO)CCOCC1 ZINC000337267828 445010014 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C=CCCc1ccccc1NC(=O)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000337496586 445104695 /nfs/dbraw/zinc/10/46/95/445104695.db2.gz FXURTJWPWQFEDM-HNNXBMFYSA-N 1 2 345.443 1.581 20 30 EDEDLO C=CCCc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000337496586 445104700 /nfs/dbraw/zinc/10/47/00/445104700.db2.gz FXURTJWPWQFEDM-HNNXBMFYSA-N 1 2 345.443 1.581 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCO[C@@H](C(C)C)C2)CC1 ZINC000330728919 445115527 /nfs/dbraw/zinc/11/55/27/445115527.db2.gz HCAPWDPCOYWWLM-DLBZAZTESA-N 1 2 336.480 1.036 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCO[C@@H](C(C)C)C2)CC1 ZINC000330728919 445115531 /nfs/dbraw/zinc/11/55/31/445115531.db2.gz HCAPWDPCOYWWLM-DLBZAZTESA-N 1 2 336.480 1.036 20 30 EDEDLO N#Cc1ccc(NCC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)nc1 ZINC000345543759 445190004 /nfs/dbraw/zinc/19/00/04/445190004.db2.gz WVNLRZWQBROCQG-UHFFFAOYSA-N 1 2 340.774 1.983 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000330806075 445149079 /nfs/dbraw/zinc/14/90/79/445149079.db2.gz IYWRWKZZYJUVSX-AWEZNQCLSA-N 1 2 327.306 1.886 20 30 EDEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000330806075 445149083 /nfs/dbraw/zinc/14/90/83/445149083.db2.gz IYWRWKZZYJUVSX-AWEZNQCLSA-N 1 2 327.306 1.886 20 30 EDEDLO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)c(C)c1 ZINC000347704363 445245316 /nfs/dbraw/zinc/24/53/16/445245316.db2.gz LXRNRLAVHHGQCF-JKSUJKDBSA-N 1 2 342.443 1.948 20 30 EDEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000354461976 445247368 /nfs/dbraw/zinc/24/73/68/445247368.db2.gz RCTOKDUMCYSNMM-HNNXBMFYSA-N 1 2 349.456 1.300 20 30 EDEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000354461976 445247372 /nfs/dbraw/zinc/24/73/72/445247372.db2.gz RCTOKDUMCYSNMM-HNNXBMFYSA-N 1 2 349.456 1.300 20 30 EDEDLO C=CCCCNC(=O)N[C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000348063887 445264234 /nfs/dbraw/zinc/26/42/34/445264234.db2.gz TWOYHGOYFJAYAM-WMLDXEAASA-N 1 2 345.447 1.880 20 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/nfs/dbraw/zinc/58/63/87/445586387.db2.gz IISRCAHPWGVWEM-UHFFFAOYSA-N 1 2 348.472 1.639 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000356055556 445593366 /nfs/dbraw/zinc/59/33/66/445593366.db2.gz PTPXNWUDSADVOM-ZQIUZPCESA-N 1 2 339.411 1.681 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000356055556 445593369 /nfs/dbraw/zinc/59/33/69/445593369.db2.gz PTPXNWUDSADVOM-ZQIUZPCESA-N 1 2 339.411 1.681 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnccc2C#N)nc[nH+]1 ZINC000362890540 445598051 /nfs/dbraw/zinc/59/80/51/445598051.db2.gz GNWFRUUPOIXYTK-CYBMUJFWSA-N 1 2 337.387 1.184 20 30 EDEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnccc2C#N)[nH+]cn1 ZINC000362890540 445598053 /nfs/dbraw/zinc/59/80/53/445598053.db2.gz GNWFRUUPOIXYTK-CYBMUJFWSA-N 1 2 337.387 1.184 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000353651041 445693236 /nfs/dbraw/zinc/69/32/36/445693236.db2.gz BGGUQEZIHLKYPR-LJQANCHMSA-N 1 2 335.407 1.766 20 30 EDEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000353651041 445693239 /nfs/dbraw/zinc/69/32/39/445693239.db2.gz BGGUQEZIHLKYPR-LJQANCHMSA-N 1 2 335.407 1.766 20 30 EDEDLO C=CCCC1(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000356295637 445723309 /nfs/dbraw/zinc/72/33/09/445723309.db2.gz KDZRACZDLXFHGZ-INIZCTEOSA-N 1 2 333.476 1.888 20 30 EDEDLO CN1CC[N@H+](C)C[C@@H]1c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000350064255 445760533 /nfs/dbraw/zinc/76/05/33/445760533.db2.gz IHMHTKXINUELBE-JKSUJKDBSA-N 1 2 336.399 1.709 20 30 EDEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc([C@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000350064255 445760540 /nfs/dbraw/zinc/76/05/40/445760540.db2.gz IHMHTKXINUELBE-JKSUJKDBSA-N 1 2 336.399 1.709 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnn(C)c1C#N)c1ccc(F)cc1 ZINC000353854643 445784675 /nfs/dbraw/zinc/78/46/75/445784675.db2.gz YJEJPGUAPLGFRB-HNNXBMFYSA-N 1 2 338.346 1.684 20 30 EDEDLO C[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)[NH+]1CCN(C)CC1 ZINC000356531014 445843975 /nfs/dbraw/zinc/84/39/75/445843975.db2.gz GVKDJLPIFLHRSL-INIZCTEOSA-N 1 2 344.459 1.169 20 30 EDEDLO C=CCCO[C@@H](C)C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000363633454 445861459 /nfs/dbraw/zinc/86/14/59/445861459.db2.gz ORXGWZBQASSCBB-INIZCTEOSA-N 1 2 334.464 1.919 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1)C1CC1 ZINC000363673434 445868343 /nfs/dbraw/zinc/86/83/43/445868343.db2.gz QSMJNBYQCBPKIA-QAPCUYQASA-N 1 2 332.448 1.272 20 30 EDEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1)C1CC1 ZINC000363673434 445868345 /nfs/dbraw/zinc/86/83/45/445868345.db2.gz QSMJNBYQCBPKIA-QAPCUYQASA-N 1 2 332.448 1.272 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CCCN(Cc3ccccc3F)CC2)CCC1 ZINC000364146207 445897973 /nfs/dbraw/zinc/89/79/73/445897973.db2.gz ZABMDTSCVDJTAK-UHFFFAOYSA-N 1 2 344.434 1.896 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CCCN(Cc3ccccc3F)CC2)CCC1 ZINC000364146207 445897978 /nfs/dbraw/zinc/89/79/78/445897978.db2.gz ZABMDTSCVDJTAK-UHFFFAOYSA-N 1 2 344.434 1.896 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369066289 445907352 /nfs/dbraw/zinc/90/73/52/445907352.db2.gz RFNQFXXFYFXJBB-GUYCJALGSA-N 1 2 340.427 1.876 20 30 EDEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369066289 445907357 /nfs/dbraw/zinc/90/73/57/445907357.db2.gz RFNQFXXFYFXJBB-GUYCJALGSA-N 1 2 340.427 1.876 20 30 EDEDLO C=CCN1CC[C@H](N(C)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1=O ZINC000369159262 445960749 /nfs/dbraw/zinc/96/07/49/445960749.db2.gz XAGZYCXEYFCYCV-GJZGRUSLSA-N 1 2 343.431 1.089 20 30 EDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000369189952 445979520 /nfs/dbraw/zinc/97/95/20/445979520.db2.gz USOWVGIFBOCNLO-AWEZNQCLSA-N 1 2 347.444 1.688 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000366203209 446082030 /nfs/dbraw/zinc/08/20/30/446082030.db2.gz JJHRXRQYRCJKHA-QGZVFWFLSA-N 1 2 344.415 1.099 20 30 EDEDLO N#Cc1ccc(OCCNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000366203209 446082031 /nfs/dbraw/zinc/08/20/31/446082031.db2.gz JJHRXRQYRCJKHA-QGZVFWFLSA-N 1 2 344.415 1.099 20 30 EDEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2OC)C[C@@H]1C ZINC000361962933 446111082 /nfs/dbraw/zinc/11/10/82/446111082.db2.gz RIORWZPGCPHSCV-QWHCGFSZSA-N 1 2 337.445 1.670 20 30 EDEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)cc2OC)C[C@@H]1C ZINC000361962933 446111089 /nfs/dbraw/zinc/11/10/89/446111089.db2.gz RIORWZPGCPHSCV-QWHCGFSZSA-N 1 2 337.445 1.670 20 30 EDEDLO CC[C@@H]1C[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@]2(CCCOC2)O1 ZINC000369539165 446129253 /nfs/dbraw/zinc/12/92/53/446129253.db2.gz DBFMATSJWHYBJD-JZXOWHBKSA-N 1 2 337.464 1.655 20 30 EDEDLO CC[C@@H]1C[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C[C@]2(CCCOC2)O1 ZINC000369539165 446129261 /nfs/dbraw/zinc/12/92/61/446129261.db2.gz DBFMATSJWHYBJD-JZXOWHBKSA-N 1 2 337.464 1.655 20 30 EDEDLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)on1 ZINC000366338186 446161968 /nfs/dbraw/zinc/16/19/68/446161968.db2.gz CFEPMYVHNHWBNU-NSHDSACASA-N 1 2 329.364 1.110 20 30 EDEDLO Cc1onc(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)c1C#N ZINC000354445856 446208782 /nfs/dbraw/zinc/20/87/82/446208782.db2.gz MNLQWAYEJIJZBO-UHFFFAOYSA-N 1 2 340.383 1.868 20 30 EDEDLO C#CCCCCNC(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000370433895 446277890 /nfs/dbraw/zinc/27/78/90/446277890.db2.gz PYKQSKFRGJDICB-UHFFFAOYSA-N 1 2 331.464 1.924 20 30 EDEDLO C#CCCCCNC(=O)N1CCC[N@@H+](Cc2nccn2CC)CC1 ZINC000370433895 446277895 /nfs/dbraw/zinc/27/78/95/446277895.db2.gz PYKQSKFRGJDICB-UHFFFAOYSA-N 1 2 331.464 1.924 20 30 EDEDLO C#CCCCCNC(=O)N1CCC[N@H+](Cc2nccn2CC)CC1 ZINC000370433895 446277901 /nfs/dbraw/zinc/27/79/01/446277901.db2.gz PYKQSKFRGJDICB-UHFFFAOYSA-N 1 2 331.464 1.924 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000367084038 446504551 /nfs/dbraw/zinc/50/45/51/446504551.db2.gz KOHMHKJSCLLIAL-QGZVFWFLSA-N 1 2 349.475 1.194 20 30 EDEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000367084038 446504558 /nfs/dbraw/zinc/50/45/58/446504558.db2.gz KOHMHKJSCLLIAL-QGZVFWFLSA-N 1 2 349.475 1.194 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000452928646 446504928 /nfs/dbraw/zinc/50/49/28/446504928.db2.gz UDFWBNQJDMWRDB-OLMNPRSZSA-N 1 2 347.434 1.796 20 30 EDEDLO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000420436588 446611012 /nfs/dbraw/zinc/61/10/12/446611012.db2.gz BCTQGGCXCDIISC-LLVKDONJSA-N 1 2 345.371 1.090 20 30 EDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)CNc2ccc(C#N)cc2)C1 ZINC000434654814 446657490 /nfs/dbraw/zinc/65/74/90/446657490.db2.gz GMCFDFWJISLBEY-SFHVURJKSA-N 1 2 342.443 1.539 20 30 EDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)CNc2ccc(C#N)cc2)C1 ZINC000434654814 446657498 /nfs/dbraw/zinc/65/74/98/446657498.db2.gz GMCFDFWJISLBEY-SFHVURJKSA-N 1 2 342.443 1.539 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](CO)O1 ZINC000434981098 446671469 /nfs/dbraw/zinc/67/14/69/446671469.db2.gz IGADHRYEOCNVEV-PBHICJAKSA-N 1 2 341.415 1.440 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](CO)O1 ZINC000434981098 446671479 /nfs/dbraw/zinc/67/14/79/446671479.db2.gz IGADHRYEOCNVEV-PBHICJAKSA-N 1 2 341.415 1.440 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000437589989 446753933 /nfs/dbraw/zinc/75/39/33/446753933.db2.gz LOWURYLMDUAYJG-UHFFFAOYSA-N 1 2 325.815 1.899 20 30 EDEDLO C=CCCC[C@H](C)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1 ZINC000368402658 446839305 /nfs/dbraw/zinc/83/93/05/446839305.db2.gz MTGBTFGWQARMSS-WMZOPIPTSA-N 1 2 339.480 1.912 20 30 EDEDLO NS(=O)(=O)C[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000440971068 446859892 /nfs/dbraw/zinc/85/98/92/446859892.db2.gz WJXRIIRXCHVHDC-CYBMUJFWSA-N 1 2 326.849 1.692 20 30 EDEDLO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000440971068 446859895 /nfs/dbraw/zinc/85/98/95/446859895.db2.gz WJXRIIRXCHVHDC-CYBMUJFWSA-N 1 2 326.849 1.692 20 30 EDEDLO Cn1cc[nH+]c1-c1cccc(CNC(=O)N2CCO[C@H](C#N)C2)c1 ZINC000371447213 446863323 /nfs/dbraw/zinc/86/33/23/446863323.db2.gz JSTNBARHNVRWMK-OAHLLOKOSA-N 1 2 325.372 1.521 20 30 EDEDLO C#CCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377122734 446935777 /nfs/dbraw/zinc/93/57/77/446935777.db2.gz JLWBGTNHIACDIC-MRXNPFEDSA-N 1 2 349.475 1.944 20 30 EDEDLO Cc1nc([C@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)no1 ZINC000375753710 447023739 /nfs/dbraw/zinc/02/37/39/447023739.db2.gz AGLLOHYPBZFIFU-AWEZNQCLSA-N 1 2 330.392 1.213 20 30 EDEDLO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)no1 ZINC000375753710 447023743 /nfs/dbraw/zinc/02/37/43/447023743.db2.gz AGLLOHYPBZFIFU-AWEZNQCLSA-N 1 2 330.392 1.213 20 30 EDEDLO C=CCn1cc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)nn1 ZINC000425264719 447088523 /nfs/dbraw/zinc/08/85/23/447088523.db2.gz QOOSENQRRYCJNU-OLZOCXBDSA-N 1 2 329.408 1.073 20 30 EDEDLO C=CCn1cc(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)nn1 ZINC000425264719 447088526 /nfs/dbraw/zinc/08/85/26/447088526.db2.gz QOOSENQRRYCJNU-OLZOCXBDSA-N 1 2 329.408 1.073 20 30 EDEDLO CC(C)(C)N1CC[C@@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1=O ZINC000425436863 447161645 /nfs/dbraw/zinc/16/16/45/447161645.db2.gz XJBHCBHBDCIWSW-OAHLLOKOSA-N 1 2 327.432 1.475 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000372660723 447211812 /nfs/dbraw/zinc/21/18/12/447211812.db2.gz RHJBMLRFMLSNPR-RYUDHWBXSA-N 1 2 337.401 1.211 20 30 EDEDLO COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000372660723 447211819 /nfs/dbraw/zinc/21/18/19/447211819.db2.gz RHJBMLRFMLSNPR-RYUDHWBXSA-N 1 2 337.401 1.211 20 30 EDEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000369018192 447266784 /nfs/dbraw/zinc/26/67/84/447266784.db2.gz RQNBWBYNHYUORT-LLVKDONJSA-N 1 2 345.827 1.864 20 30 EDEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000369018192 447266788 /nfs/dbraw/zinc/26/67/88/447266788.db2.gz RQNBWBYNHYUORT-LLVKDONJSA-N 1 2 345.827 1.864 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414053943 447273607 /nfs/dbraw/zinc/27/36/07/447273607.db2.gz TVKGSKPRKVPIGM-HNNXBMFYSA-N 1 2 345.443 1.895 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000414112526 447274911 /nfs/dbraw/zinc/27/49/11/447274911.db2.gz RDVNOXFCXCAWMK-AWEZNQCLSA-N 1 2 345.424 1.555 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000414112526 447274917 /nfs/dbraw/zinc/27/49/17/447274917.db2.gz RDVNOXFCXCAWMK-AWEZNQCLSA-N 1 2 345.424 1.555 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)Cn1cnc2c3ccccc3oc2c1=O ZINC000414110784 447275019 /nfs/dbraw/zinc/27/50/19/447275019.db2.gz OPVPWASLKZELDW-LBPRGKRZSA-N 1 2 326.356 1.349 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)Cn1cnc2c3ccccc3oc2c1=O ZINC000414110784 447275024 /nfs/dbraw/zinc/27/50/24/447275024.db2.gz OPVPWASLKZELDW-LBPRGKRZSA-N 1 2 326.356 1.349 20 30 EDEDLO CC[C@]1(c2ccccc2)NC(=O)N(C[C@@H](O)C[N@H+](C)CCC#N)C1=O ZINC000414108299 447275173 /nfs/dbraw/zinc/27/51/73/447275173.db2.gz LOCJCRYPMLLQJV-MAUKXSAKSA-N 1 2 344.415 1.050 20 30 EDEDLO CC[C@]1(c2ccccc2)NC(=O)N(C[C@@H](O)C[N@@H+](C)CCC#N)C1=O ZINC000414108299 447275176 /nfs/dbraw/zinc/27/51/76/447275176.db2.gz LOCJCRYPMLLQJV-MAUKXSAKSA-N 1 2 344.415 1.050 20 30 EDEDLO COCCN(C[C@H](O)C[N@H+](C)CCC#N)c1nc2ccccc2[nH]1 ZINC000414141907 447276145 /nfs/dbraw/zinc/27/61/45/447276145.db2.gz IPIYBGFNXMXIRY-CQSZACIVSA-N 1 2 331.420 1.222 20 30 EDEDLO COCCN(C[C@H](O)C[N@@H+](C)CCC#N)c1nc2ccccc2[nH]1 ZINC000414141907 447276149 /nfs/dbraw/zinc/27/61/49/447276149.db2.gz IPIYBGFNXMXIRY-CQSZACIVSA-N 1 2 331.420 1.222 20 30 EDEDLO CC(C)NC(=O)N(C)c1ccc(OC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000414118384 447276598 /nfs/dbraw/zinc/27/65/98/447276598.db2.gz ANQFKDGZEMIHQY-MRXNPFEDSA-N 1 2 348.447 1.826 20 30 EDEDLO CC(C)NC(=O)N(C)c1ccc(OC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000414118384 447276599 /nfs/dbraw/zinc/27/65/99/447276599.db2.gz ANQFKDGZEMIHQY-MRXNPFEDSA-N 1 2 348.447 1.826 20 30 EDEDLO CC(C)n1cc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)nn1 ZINC000377699636 447303016 /nfs/dbraw/zinc/30/30/16/447303016.db2.gz MDNKPTRZSWEZJW-UHFFFAOYSA-N 1 2 325.420 1.838 20 30 EDEDLO CC(C)n1cc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)nn1 ZINC000377699636 447303020 /nfs/dbraw/zinc/30/30/20/447303020.db2.gz MDNKPTRZSWEZJW-UHFFFAOYSA-N 1 2 325.420 1.838 20 30 EDEDLO C=CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000495393323 447501778 /nfs/dbraw/zinc/50/17/78/447501778.db2.gz NVUSIBYOTNRUDL-CYBMUJFWSA-N 1 2 346.493 1.965 20 30 EDEDLO C=CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000495393323 447501785 /nfs/dbraw/zinc/50/17/85/447501785.db2.gz NVUSIBYOTNRUDL-CYBMUJFWSA-N 1 2 346.493 1.965 20 30 EDEDLO C=C[C@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000426856169 447507157 /nfs/dbraw/zinc/50/71/57/447507157.db2.gz AHAMGMTZYWNFSZ-CYBMUJFWSA-N 1 2 325.412 1.890 20 30 EDEDLO C=C[C@H](CO)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000426856169 447507160 /nfs/dbraw/zinc/50/71/60/447507160.db2.gz AHAMGMTZYWNFSZ-CYBMUJFWSA-N 1 2 325.412 1.890 20 30 EDEDLO COC(=O)c1cccc2c1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000459535533 447698255 /nfs/dbraw/zinc/69/82/55/447698255.db2.gz JRSJWWYTJYXFEK-LJQANCHMSA-N 1 2 343.427 1.886 20 30 EDEDLO COC(=O)c1cccc2c1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2 ZINC000459535533 447698260 /nfs/dbraw/zinc/69/82/60/447698260.db2.gz JRSJWWYTJYXFEK-LJQANCHMSA-N 1 2 343.427 1.886 20 30 EDEDLO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CC[C@H](F)C2)CC1 ZINC000451202652 447703458 /nfs/dbraw/zinc/70/34/58/447703458.db2.gz XTUFHASDMRKKAE-IRXDYDNUSA-N 1 2 348.397 1.578 20 30 EDEDLO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CC[C@H](F)C2)CC1 ZINC000451202652 447703462 /nfs/dbraw/zinc/70/34/62/447703462.db2.gz XTUFHASDMRKKAE-IRXDYDNUSA-N 1 2 348.397 1.578 20 30 EDEDLO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(CCC(N)=O)c1ccc(F)cc1 ZINC000459444075 447667376 /nfs/dbraw/zinc/66/73/76/447667376.db2.gz ACJFXWYWOVCEOF-DOMZBBRYSA-N 1 2 332.379 1.316 20 30 EDEDLO CCOCC[N@@H+]1CCN(C(=O)c2ncc(C#N)cc2Cl)C[C@H]1C ZINC000458069076 447713080 /nfs/dbraw/zinc/71/30/80/447713080.db2.gz AFAUEGQRQHYGPC-GFCCVEGCSA-N 1 2 336.823 1.789 20 30 EDEDLO CCOCC[N@H+]1CCN(C(=O)c2ncc(C#N)cc2Cl)C[C@H]1C ZINC000458069076 447713088 /nfs/dbraw/zinc/71/30/88/447713088.db2.gz AFAUEGQRQHYGPC-GFCCVEGCSA-N 1 2 336.823 1.789 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1)C1CC1 ZINC000451275421 447721656 /nfs/dbraw/zinc/72/16/56/447721656.db2.gz YIGOTXZMZMJSJU-QRQLOZEOSA-N 1 2 345.418 1.595 20 30 EDEDLO C[C@](C#N)(NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1)C1CC1 ZINC000451275421 447721660 /nfs/dbraw/zinc/72/16/60/447721660.db2.gz YIGOTXZMZMJSJU-QRQLOZEOSA-N 1 2 345.418 1.595 20 30 EDEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCO2 ZINC000451639617 447742868 /nfs/dbraw/zinc/74/28/68/447742868.db2.gz AVXOESOIUVUALT-UHFFFAOYSA-N 1 2 342.399 1.546 20 30 EDEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N(CCC#N)CCC#N)CCO2 ZINC000451639617 447742872 /nfs/dbraw/zinc/74/28/72/447742872.db2.gz AVXOESOIUVUALT-UHFFFAOYSA-N 1 2 342.399 1.546 20 30 EDEDLO C=C(C)CN(C)C(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000459867879 447771364 /nfs/dbraw/zinc/77/13/64/447771364.db2.gz WWFPEIPGWAOFPG-UHFFFAOYSA-N 1 2 345.443 1.244 20 30 EDEDLO C=CCNC(=O)c1ccc(N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000530375245 447873561 /nfs/dbraw/zinc/87/35/61/447873561.db2.gz GPFBRBXAVGYHLQ-HNNXBMFYSA-N 1 2 340.431 1.604 20 30 EDEDLO C#C[C@H](NC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1)C(C)C ZINC000490997499 447913789 /nfs/dbraw/zinc/91/37/89/447913789.db2.gz SYCDVBPBYAIIKA-IRXDYDNUSA-N 1 2 348.491 1.372 20 30 EDEDLO CC(C)C[C@H](CNS(=O)(=O)CCC(C)(C)C#N)[NH+]1CCOCC1 ZINC000569889065 447909765 /nfs/dbraw/zinc/90/97/65/447909765.db2.gz NQEJMRMKBNEDST-OAHLLOKOSA-N 1 2 345.509 1.593 20 30 EDEDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 ZINC000576050855 447960632 /nfs/dbraw/zinc/96/06/32/447960632.db2.gz UOBMUOVMEQQUQB-LLVKDONJSA-N 1 2 326.360 1.294 20 30 EDEDLO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000491101713 447923887 /nfs/dbraw/zinc/92/38/87/447923887.db2.gz KHVKWJXBZMGDTQ-CQSZACIVSA-N 1 2 345.418 1.923 20 30 EDEDLO CCOC(=O)N(C)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000491111770 447926416 /nfs/dbraw/zinc/92/64/16/447926416.db2.gz DEMDNWAFFVOGRA-KRWDZBQOSA-N 1 2 336.436 1.348 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(NC(C)(C)C)nc(NCC)[nH+]1 ZINC000553545387 447994570 /nfs/dbraw/zinc/99/45/70/447994570.db2.gz ZFRDXBFPTJZWBG-QWHCGFSZSA-N 1 2 334.468 1.751 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(NCC)[nH+]c(NC(C)(C)C)n1 ZINC000553545387 447994575 /nfs/dbraw/zinc/99/45/75/447994575.db2.gz ZFRDXBFPTJZWBG-QWHCGFSZSA-N 1 2 334.468 1.751 20 30 EDEDLO C=C(C)[C@H]1OCC[C@H]1CNc1nc(NCC)nc(NC(C)(C)C)[nH+]1 ZINC000553545387 447994581 /nfs/dbraw/zinc/99/45/81/447994581.db2.gz ZFRDXBFPTJZWBG-QWHCGFSZSA-N 1 2 334.468 1.751 20 30 EDEDLO C#CC[NH+](CC#C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000491654012 448073029 /nfs/dbraw/zinc/07/30/29/448073029.db2.gz FFENWFBUWSQHFC-GJZGRUSLSA-N 1 2 326.396 1.592 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCO1 ZINC000556810759 448160943 /nfs/dbraw/zinc/16/09/43/448160943.db2.gz CFKQYHALDYWEAI-CYBMUJFWSA-N 1 2 331.391 1.566 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCO1 ZINC000556810759 448160948 /nfs/dbraw/zinc/16/09/48/448160948.db2.gz CFKQYHALDYWEAI-CYBMUJFWSA-N 1 2 331.391 1.566 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000497089632 448190460 /nfs/dbraw/zinc/19/04/60/448190460.db2.gz MHCSLVJDWNPZDD-CQSZACIVSA-N 1 2 336.436 1.444 20 30 EDEDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000497089632 448190463 /nfs/dbraw/zinc/19/04/63/448190463.db2.gz MHCSLVJDWNPZDD-CQSZACIVSA-N 1 2 336.436 1.444 20 30 EDEDLO CCCCNC(=O)NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000558629395 448198929 /nfs/dbraw/zinc/19/89/29/448198929.db2.gz VGIYPLTYEBZDIR-UHFFFAOYSA-N 1 2 343.431 1.565 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1sccc1C#N)C2 ZINC000577200480 448234214 /nfs/dbraw/zinc/23/42/14/448234214.db2.gz URLHOQFBTQTOEH-LBPRGKRZSA-N 1 2 330.413 1.404 20 30 EDEDLO Cc1cc(C)n(-c2ccc(CC(=O)N[C@](C)(C#N)C[NH+](C)C)cc2)n1 ZINC000582489008 448253011 /nfs/dbraw/zinc/25/30/11/448253011.db2.gz ZRLWOXXBEVYGDS-LJQANCHMSA-N 1 2 339.443 1.992 20 30 EDEDLO CC[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000572220727 448317923 /nfs/dbraw/zinc/31/79/23/448317923.db2.gz YAZNQCGHUJDGTD-MSOLQXFVSA-N 1 2 342.443 1.953 20 30 EDEDLO CNC(=O)NC1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000577587271 448334272 /nfs/dbraw/zinc/33/42/72/448334272.db2.gz CIRYDTCCQMIEQG-UHFFFAOYSA-N 1 2 330.388 1.238 20 30 EDEDLO CC[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000572429753 448376805 /nfs/dbraw/zinc/37/68/05/448376805.db2.gz MVRSKERANADKOF-SOLBZPMBSA-N 1 2 329.400 1.355 20 30 EDEDLO CC[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000572429753 448376808 /nfs/dbraw/zinc/37/68/08/448376808.db2.gz MVRSKERANADKOF-SOLBZPMBSA-N 1 2 329.400 1.355 20 30 EDEDLO CC(C)(CC#N)CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000516539878 448435013 /nfs/dbraw/zinc/43/50/13/448435013.db2.gz AVRRDUOLTBIFBT-CABCVRRESA-N 1 2 343.493 1.489 20 30 EDEDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)COc2ccc(C#N)cc2)C1 ZINC000591682931 448450600 /nfs/dbraw/zinc/45/06/00/448450600.db2.gz SFWUJENPYZNUQJ-CABCVRRESA-N 1 2 326.356 1.649 20 30 EDEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(C#N)c(N)n2)cc1 ZINC000583945027 448467008 /nfs/dbraw/zinc/46/70/08/448467008.db2.gz FEABNRCUZXONNB-KRWDZBQOSA-N 1 2 337.427 2.329 20 30 EDEDLO N#CC1(CNC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)CC1 ZINC000584277078 448477070 /nfs/dbraw/zinc/47/70/70/448477070.db2.gz VDWZPVPWNJTDFU-UHFFFAOYSA-N 1 2 332.404 1.427 20 30 EDEDLO N#Cc1cnn2cc(C[N@@H+]3CCC4(C3)Oc3ccccc3O4)cnc12 ZINC000578358391 448527533 /nfs/dbraw/zinc/52/75/33/448527533.db2.gz AICWJHCCOOLEHS-UHFFFAOYSA-N 1 2 333.351 1.974 20 30 EDEDLO N#Cc1cnn2cc(C[N@H+]3CCC4(C3)Oc3ccccc3O4)cnc12 ZINC000578358391 448527537 /nfs/dbraw/zinc/52/75/37/448527537.db2.gz AICWJHCCOOLEHS-UHFFFAOYSA-N 1 2 333.351 1.974 20 30 EDEDLO CC#CC[C@@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592001692 448619016 /nfs/dbraw/zinc/61/90/16/448619016.db2.gz BHOHZQJDPANLCO-AWEZNQCLSA-N 1 2 326.356 1.968 20 30 EDEDLO Cc1ccc(S(=O)(=O)CCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000518299845 448662542 /nfs/dbraw/zinc/66/25/42/448662542.db2.gz LAYVGTLKVRGHJJ-UHFFFAOYSA-N 1 2 349.456 1.263 20 30 EDEDLO CCN(C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1nc2ccccc2s1 ZINC000592149567 448710689 /nfs/dbraw/zinc/71/06/89/448710689.db2.gz RGSSMEZOJABMGG-QGZVFWFLSA-N 1 2 344.440 2.000 20 30 EDEDLO CCN(C(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1nc2ccccc2s1 ZINC000592149567 448710693 /nfs/dbraw/zinc/71/06/93/448710693.db2.gz RGSSMEZOJABMGG-QGZVFWFLSA-N 1 2 344.440 2.000 20 30 EDEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150895 448712186 /nfs/dbraw/zinc/71/21/86/448712186.db2.gz JFORUKVJWGGPNF-SJKOYZFVSA-N 1 2 337.370 1.362 20 30 EDEDLO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150895 448712190 /nfs/dbraw/zinc/71/21/90/448712190.db2.gz JFORUKVJWGGPNF-SJKOYZFVSA-N 1 2 337.370 1.362 20 30 EDEDLO N#CC[C@@]1(O)CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000592152321 448713102 /nfs/dbraw/zinc/71/31/02/448713102.db2.gz XLHIXPBDKKKROZ-GOEBONIOSA-N 1 2 337.782 1.935 20 30 EDEDLO N#CC[C@@]1(O)CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000592152321 448713104 /nfs/dbraw/zinc/71/31/04/448713104.db2.gz XLHIXPBDKKKROZ-GOEBONIOSA-N 1 2 337.782 1.935 20 30 EDEDLO C[C@]1(n2cc(CNc3cc(CC#N)cc[nH+]3)cn2)CCS(=O)(=O)C1 ZINC000545219667 448780191 /nfs/dbraw/zinc/78/01/91/448780191.db2.gz VRCOYBCVAMELFJ-INIZCTEOSA-N 1 2 345.428 1.490 20 30 EDEDLO C=CC[N@@H+](Cc1cc2ccccc2n(C)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000568163785 448826604 /nfs/dbraw/zinc/82/66/04/448826604.db2.gz AFZWZDUYKDZRBX-INIZCTEOSA-N 1 2 346.452 1.714 20 30 EDEDLO C=CC[N@H+](Cc1cc2ccccc2n(C)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000568163785 448826607 /nfs/dbraw/zinc/82/66/07/448826607.db2.gz AFZWZDUYKDZRBX-INIZCTEOSA-N 1 2 346.452 1.714 20 30 EDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1ccc(CC#N)cc1 ZINC000574272790 448833398 /nfs/dbraw/zinc/83/33/98/448833398.db2.gz BCOHOKJLXQHYCO-UHFFFAOYSA-N 1 2 330.432 1.663 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccnc(C#N)n1 ZINC000569355333 449011248 /nfs/dbraw/zinc/01/12/48/449011248.db2.gz IQBLUNQRVBCZOQ-JSGCOSHPSA-N 1 2 329.383 1.131 20 30 EDEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccnc(C#N)n1 ZINC000569355333 449011253 /nfs/dbraw/zinc/01/12/53/449011253.db2.gz IQBLUNQRVBCZOQ-JSGCOSHPSA-N 1 2 329.383 1.131 20 30 EDEDLO Cc1ncc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000589892142 449073309 /nfs/dbraw/zinc/07/33/09/449073309.db2.gz COBKQCVSQSZJQU-CQSZACIVSA-N 1 2 331.401 1.484 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@@H+]1CC(C)(C)O ZINC000593589846 449093261 /nfs/dbraw/zinc/09/32/61/449093261.db2.gz XSDYVYQCDWIPKL-NSHDSACASA-N 1 2 343.474 1.085 20 30 EDEDLO C[C@H]1CN(S(=O)(=O)c2ccsc2C#N)CC[N@H+]1CC(C)(C)O ZINC000593589846 449093267 /nfs/dbraw/zinc/09/32/67/449093267.db2.gz XSDYVYQCDWIPKL-NSHDSACASA-N 1 2 343.474 1.085 20 30 EDEDLO CC(C)CNC(=O)NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548865752 449107556 /nfs/dbraw/zinc/10/75/56/449107556.db2.gz KFVHTSQIFCHGCN-UHFFFAOYSA-N 1 2 343.431 1.421 20 30 EDEDLO N#Cc1sccc1N1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000597936386 449148586 /nfs/dbraw/zinc/14/85/86/449148586.db2.gz NUVWHHCATFBJAN-ZDUSSCGKSA-N 1 2 341.440 1.727 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(C#N)cc(N(C)C)c2)[C@H](C)CO1 ZINC000597993502 449178644 /nfs/dbraw/zinc/17/86/44/449178644.db2.gz FZFJFJLDZRHCCT-ZIAGYGMSSA-N 1 2 330.432 1.463 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C#N)cc(N(C)C)c2)[C@H](C)CO1 ZINC000597993502 449178652 /nfs/dbraw/zinc/17/86/52/449178652.db2.gz FZFJFJLDZRHCCT-ZIAGYGMSSA-N 1 2 330.432 1.463 20 30 EDEDLO Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@](C)(C#N)C3)CC2)c1 ZINC000595836165 449199551 /nfs/dbraw/zinc/19/95/51/449199551.db2.gz WXROTBOBLYIWSP-IBGZPJMESA-N 1 2 326.444 1.879 20 30 EDEDLO Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@](C)(C#N)C3)CC2)c1 ZINC000595836165 449199558 /nfs/dbraw/zinc/19/95/58/449199558.db2.gz WXROTBOBLYIWSP-IBGZPJMESA-N 1 2 326.444 1.879 20 30 EDEDLO CCOCc1ccccc1CNC(=O)C[NH+]1CCN(CCC#N)CC1 ZINC000611174157 449200011 /nfs/dbraw/zinc/20/00/11/449200011.db2.gz AGHSRQLLZYSURY-UHFFFAOYSA-N 1 2 344.459 1.371 20 30 EDEDLO N#Cc1cc(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)ccc1Cl ZINC000601967991 449249707 /nfs/dbraw/zinc/24/97/07/449249707.db2.gz KMMSRSNSISZGJP-NSHDSACASA-N 1 2 336.804 1.701 20 30 EDEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](OC(F)F)C3)C2=O)cc1 ZINC000611567825 449341002 /nfs/dbraw/zinc/34/10/02/449341002.db2.gz RVYNVYNYEHKDHG-UONOGXRCSA-N 1 2 349.337 1.894 20 30 EDEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](OC(F)F)C3)C2=O)cc1 ZINC000611567825 449341004 /nfs/dbraw/zinc/34/10/04/449341004.db2.gz RVYNVYNYEHKDHG-UONOGXRCSA-N 1 2 349.337 1.894 20 30 EDEDLO C[C@@]1(C#N)CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000596090749 449358041 /nfs/dbraw/zinc/35/80/41/449358041.db2.gz VHRPVGQVSNBFMZ-HKUYNNGSSA-N 1 2 342.443 1.833 20 30 EDEDLO C[C@@]1(C#N)CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000596090749 449358049 /nfs/dbraw/zinc/35/80/49/449358049.db2.gz VHRPVGQVSNBFMZ-HKUYNNGSSA-N 1 2 342.443 1.833 20 30 EDEDLO C[C@@]1(C#N)CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000596111720 449366772 /nfs/dbraw/zinc/36/67/72/449366772.db2.gz BOLRLZVJSDPTEH-KRWDZBQOSA-N 1 2 329.404 1.363 20 30 EDEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000600422646 449367441 /nfs/dbraw/zinc/36/74/41/449367441.db2.gz WUNPCFXQASLMKG-RDJZCZTQSA-N 1 2 331.416 1.408 20 30 EDEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000600422646 449367444 /nfs/dbraw/zinc/36/74/44/449367444.db2.gz WUNPCFXQASLMKG-RDJZCZTQSA-N 1 2 331.416 1.408 20 30 EDEDLO CCOC1CC(CNc2nc(C#N)ccc2C)([NH+]2CCOCC2)C1 ZINC000596213230 449419127 /nfs/dbraw/zinc/41/91/27/449419127.db2.gz XAGQPJIOYXDKEO-UHFFFAOYSA-N 1 2 330.432 1.944 20 30 EDEDLO Cc1onc(CC(=O)N2CC[NH+](CCc3ccncc3)CC2)c1C#N ZINC000602197573 449425821 /nfs/dbraw/zinc/42/58/21/449425821.db2.gz GODFVCZSYAHFPD-UHFFFAOYSA-N 1 2 339.399 1.179 20 30 EDEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000594283392 449429530 /nfs/dbraw/zinc/42/95/30/449429530.db2.gz HJVIRMSJDUIFTQ-OAGGEKHMSA-N 1 2 329.444 1.962 20 30 EDEDLO N#CC1(C[C@@H](O)C[NH2+][C@H](CO)c2nc(-c3ccccc3)no2)CC1 ZINC000600746263 449530922 /nfs/dbraw/zinc/53/09/22/449530922.db2.gz VMSOAXIHVACFOC-ZIAGYGMSSA-N 1 2 328.372 1.414 20 30 EDEDLO Cc1cc(NCCNC(=O)N(C)CC(C)(C)C#N)nc(C(C)C)[nH+]1 ZINC000602358458 449538948 /nfs/dbraw/zinc/53/89/48/449538948.db2.gz VZZXHXHNROGYGF-UHFFFAOYSA-N 1 2 332.452 2.512 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2cccnn2)cc1 ZINC000598728669 449566601 /nfs/dbraw/zinc/56/66/01/449566601.db2.gz FBPAMXAZPWWALM-OAHLLOKOSA-N 1 2 327.388 1.887 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2cccnn2)cc1 ZINC000598728669 449566609 /nfs/dbraw/zinc/56/66/09/449566609.db2.gz FBPAMXAZPWWALM-OAHLLOKOSA-N 1 2 327.388 1.887 20 30 EDEDLO N#Cc1cccnc1N1CCN(Cc2cc3c(c[nH+]2)OCCO3)CC1 ZINC000602436121 449585409 /nfs/dbraw/zinc/58/54/09/449585409.db2.gz VPOAAGLRZFQUSQ-UHFFFAOYSA-N 1 2 337.383 1.442 20 30 EDEDLO N#CC1(CNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCCC1 ZINC000596644186 449583591 /nfs/dbraw/zinc/58/35/91/449583591.db2.gz YXQQMDWOYSEPNI-UHFFFAOYSA-N 1 2 334.464 1.824 20 30 EDEDLO COCCc1ncc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)s1 ZINC000602435167 449584085 /nfs/dbraw/zinc/58/40/85/449584085.db2.gz ISTMEGADWPEUAT-UHFFFAOYSA-N 1 2 343.456 1.921 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[C@H](C)CO1 ZINC000596580406 449560155 /nfs/dbraw/zinc/56/01/55/449560155.db2.gz IBVJDMWFEOMTFZ-HBUWYVDXSA-N 1 2 342.443 1.954 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[C@H](C)CO1 ZINC000596580406 449560162 /nfs/dbraw/zinc/56/01/62/449560162.db2.gz IBVJDMWFEOMTFZ-HBUWYVDXSA-N 1 2 342.443 1.954 20 30 EDEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)[nH]c1C ZINC000602441627 449589119 /nfs/dbraw/zinc/58/91/19/449589119.db2.gz OXZCCCFCFAAQPK-UHFFFAOYSA-N 1 2 339.399 1.699 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000596671035 449598520 /nfs/dbraw/zinc/59/85/20/449598520.db2.gz XJWCUMMQHPIHGZ-LSDHHAIUSA-N 1 2 330.432 1.509 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000596671035 449598522 /nfs/dbraw/zinc/59/85/22/449598522.db2.gz XJWCUMMQHPIHGZ-LSDHHAIUSA-N 1 2 330.432 1.509 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000596707252 449615464 /nfs/dbraw/zinc/61/54/64/449615464.db2.gz VGTYUZUWGBFZRE-HUUCEWRRSA-N 1 2 336.399 1.139 20 30 EDEDLO N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598944507 449663191 /nfs/dbraw/zinc/66/31/91/449663191.db2.gz OTJBZVMAEFCFJR-AWEZNQCLSA-N 1 2 337.383 1.605 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H]3Cc4c[nH+]cn4C3)C2)c(F)c1 ZINC000598946984 449664395 /nfs/dbraw/zinc/66/43/95/449664395.db2.gz KGKVRVFRNXYDHO-KGLIPLIRSA-N 1 2 339.374 1.461 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCc4cnc(N)nc4C3)C2=O)cc1 ZINC000598949687 449665615 /nfs/dbraw/zinc/66/56/15/449665615.db2.gz MIMJASYSCRLXSY-KRWDZBQOSA-N 1 2 348.410 1.484 20 30 EDEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCc4cnc(N)nc4C3)C2=O)cc1 ZINC000598949687 449665618 /nfs/dbraw/zinc/66/56/18/449665618.db2.gz MIMJASYSCRLXSY-KRWDZBQOSA-N 1 2 348.410 1.484 20 30 EDEDLO N#Cc1ccc(C(F)(F)F)nc1N[C@H](CO)C[NH+]1CCOCC1 ZINC000601177538 449735978 /nfs/dbraw/zinc/73/59/78/449735978.db2.gz WJNLCNJZHSKHBQ-NSHDSACASA-N 1 2 330.310 1.077 20 30 EDEDLO N#CC1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCCCC1 ZINC000596861280 449692834 /nfs/dbraw/zinc/69/28/34/449692834.db2.gz HWPJHNYUDCUNAE-MRXNPFEDSA-N 1 2 334.464 1.967 20 30 EDEDLO COc1ccccc1NC(=O)CN1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602797163 449817297 /nfs/dbraw/zinc/81/72/97/449817297.db2.gz BUXMSPZYFDFWGF-UHFFFAOYSA-N 1 2 342.443 1.945 20 30 EDEDLO Cc1cn2ccc(NC(=O)NCCCc3[nH]nc(N)c3C#N)cc2[nH+]1 ZINC000597126180 449827781 /nfs/dbraw/zinc/82/77/81/449827781.db2.gz GBGDIIMPNILXMF-UHFFFAOYSA-N 1 2 338.375 1.574 20 30 EDEDLO CCc1nocc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000594897269 449798617 /nfs/dbraw/zinc/79/86/17/449798617.db2.gz OPRZCKLPMLZJGH-UHFFFAOYSA-N 1 2 328.372 1.151 20 30 EDEDLO Cc1cc(C#N)ccc1Cn1cc(C[NH+]2CCOCC2)cc(C#N)c1=O ZINC000594901854 449800784 /nfs/dbraw/zinc/80/07/84/449800784.db2.gz MGKFPPWXCFMJHG-UHFFFAOYSA-N 1 2 348.406 1.781 20 30 EDEDLO Cc1cn2cc(NC(=O)C(=O)N3CCC[C@@H](CC#N)C3)ccc2[nH+]1 ZINC000595085731 449862606 /nfs/dbraw/zinc/86/26/06/449862606.db2.gz AYFOPCAQPANIAS-ZDUSSCGKSA-N 1 2 325.372 1.734 20 30 EDEDLO COc1ccc(C)cc1NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855579 449863266 /nfs/dbraw/zinc/86/32/66/449863266.db2.gz IEJLXHKVSJKXAU-GASCZTMLSA-N 1 2 330.432 1.860 20 30 EDEDLO COc1ccc(C)cc1NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855579 449863273 /nfs/dbraw/zinc/86/32/73/449863273.db2.gz IEJLXHKVSJKXAU-GASCZTMLSA-N 1 2 330.432 1.860 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NCc2cccc(Cl)c2)C[C@H](C)N1CC#N ZINC000602856869 449864221 /nfs/dbraw/zinc/86/42/21/449864221.db2.gz NXHHEPGNCIREQN-OKILXGFUSA-N 1 2 334.851 1.874 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NCc2cccc(Cl)c2)C[C@H](C)N1CC#N ZINC000602856869 449864225 /nfs/dbraw/zinc/86/42/25/449864225.db2.gz NXHHEPGNCIREQN-OKILXGFUSA-N 1 2 334.851 1.874 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@H](C)N1CC#N ZINC000602856803 449864377 /nfs/dbraw/zinc/86/43/77/449864377.db2.gz NVQMRZHFRSFVOP-GASCZTMLSA-N 1 2 348.422 1.239 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NCCOc2ccc(F)cc2)C[C@H](C)N1CC#N ZINC000602856803 449864385 /nfs/dbraw/zinc/86/43/85/449864385.db2.gz NVQMRZHFRSFVOP-GASCZTMLSA-N 1 2 348.422 1.239 20 30 EDEDLO COc1ccccc1NC(=O)[C@H](C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856562 449864435 /nfs/dbraw/zinc/86/44/35/449864435.db2.gz KVLCNDUEQHQXSC-KFWWJZLASA-N 1 2 330.432 1.940 20 30 EDEDLO C[C@@H]1C[N@@H+](CC(=O)NC2C3CC4CC(C3)CC2C4)C[C@H](C)N1CC#N ZINC000602857498 449866327 /nfs/dbraw/zinc/86/63/27/449866327.db2.gz RVJSKJSZDSANEE-ZBIYFPSISA-N 1 2 344.503 1.845 20 30 EDEDLO C[C@@H]1C[N@H+](CC(=O)NC2C3CC4CC(C3)CC2C4)C[C@H](C)N1CC#N ZINC000602857498 449866331 /nfs/dbraw/zinc/86/63/31/449866331.db2.gz RVJSKJSZDSANEE-ZBIYFPSISA-N 1 2 344.503 1.845 20 30 EDEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599292875 449867725 /nfs/dbraw/zinc/86/77/25/449867725.db2.gz JDCKEIJQTMDVSK-ZFWWWQNUSA-N 1 2 340.445 1.053 20 30 EDEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599292875 449867727 /nfs/dbraw/zinc/86/77/27/449867727.db2.gz JDCKEIJQTMDVSK-ZFWWWQNUSA-N 1 2 340.445 1.053 20 30 EDEDLO COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602860001 449868754 /nfs/dbraw/zinc/86/87/54/449868754.db2.gz HJQXVLPVRTUMCK-KKUMJFAQSA-N 1 2 330.432 1.940 20 30 EDEDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602865038 449875072 /nfs/dbraw/zinc/87/50/72/449875072.db2.gz SLRWZNZBISFWNF-SOUVJXGZSA-N 1 2 349.479 1.452 20 30 EDEDLO C[C@@H]1C[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)C[C@@H](C)N1CC#N ZINC000602866685 449877068 /nfs/dbraw/zinc/87/70/68/449877068.db2.gz WZMNOZYJQATKRJ-RKVPGOIHSA-N 1 2 326.444 1.924 20 30 EDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000602870600 449879764 /nfs/dbraw/zinc/87/97/64/449879764.db2.gz UTZOBHFPXYNCMC-CQSZACIVSA-N 1 2 328.416 1.299 20 30 EDEDLO COC(=O)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000599372590 449927262 /nfs/dbraw/zinc/92/72/62/449927262.db2.gz XDTLKKUHDPCHCQ-CVEARBPZSA-N 1 2 338.448 1.769 20 30 EDEDLO CN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](CO)C1 ZINC000602906190 449911490 /nfs/dbraw/zinc/91/14/90/449911490.db2.gz QURNPSVLESJQMY-LBPRGKRZSA-N 1 2 348.472 1.045 20 30 EDEDLO CN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](CO)C1 ZINC000602906190 449911492 /nfs/dbraw/zinc/91/14/92/449911492.db2.gz QURNPSVLESJQMY-LBPRGKRZSA-N 1 2 348.472 1.045 20 30 EDEDLO CC(C)n1cnnc1C[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599426923 449967193 /nfs/dbraw/zinc/96/71/93/449967193.db2.gz VWZKAUPABGMAOT-HNNXBMFYSA-N 1 2 329.404 1.602 20 30 EDEDLO CC(C)n1cnnc1C[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599426923 449967201 /nfs/dbraw/zinc/96/72/01/449967201.db2.gz VWZKAUPABGMAOT-HNNXBMFYSA-N 1 2 329.404 1.602 20 30 EDEDLO N#Cc1ccc(CN2CC[NH+](Cc3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000599438507 449976636 /nfs/dbraw/zinc/97/66/36/449976636.db2.gz DBZGBLJRSCRGNE-UHFFFAOYSA-N 1 2 326.360 1.507 20 30 EDEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000609486000 450036220 /nfs/dbraw/zinc/03/62/20/450036220.db2.gz BOLDGQLCGBXVII-CRAIPNDOSA-N 1 2 346.450 1.996 20 30 EDEDLO C[C@@H]1CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C[C@H](C)N1CC#N ZINC000603088157 450058033 /nfs/dbraw/zinc/05/80/33/450058033.db2.gz CIFUUIRTRJESJV-XQQFMLRXSA-N 1 2 343.353 1.821 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000599587366 450086937 /nfs/dbraw/zinc/08/69/37/450086937.db2.gz RQYMCIXULLPLQK-ZBFHGGJFSA-N 1 2 346.383 1.364 20 30 EDEDLO COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000599587366 450086943 /nfs/dbraw/zinc/08/69/43/450086943.db2.gz RQYMCIXULLPLQK-ZBFHGGJFSA-N 1 2 346.383 1.364 20 30 EDEDLO Cc1c(N)cccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000599610608 450102906 /nfs/dbraw/zinc/10/29/06/450102906.db2.gz KFCHRPPSIRPPNQ-UHFFFAOYSA-N 1 2 331.420 1.657 20 30 EDEDLO N#C[C@]1(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCSC1 ZINC000610157462 450148413 /nfs/dbraw/zinc/14/84/13/450148413.db2.gz BYGLIZIAJXEHMQ-NVXWUHKLSA-N 1 2 331.441 1.403 20 30 EDEDLO N#C[C@]1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCSC1 ZINC000610157462 450148418 /nfs/dbraw/zinc/14/84/18/450148418.db2.gz BYGLIZIAJXEHMQ-NVXWUHKLSA-N 1 2 331.441 1.403 20 30 EDEDLO Cc1cc(C(=O)NCc2nc(C[NH+]3CCCCC3)no2)ncc1C#N ZINC000597621485 450151464 /nfs/dbraw/zinc/15/14/64/450151464.db2.gz KFKSKZYXUMEPBS-UHFFFAOYSA-N 1 2 340.387 1.561 20 30 EDEDLO COc1cc(C#N)ccc1Cn1cc(C[NH+]2CCC(OC)CC2)nn1 ZINC000603240190 450168235 /nfs/dbraw/zinc/16/82/35/450168235.db2.gz BZPCJOWIFVYANE-UHFFFAOYSA-N 1 2 341.415 1.817 20 30 EDEDLO CCN1CC[C@@H]([NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1=O ZINC000595432341 450139828 /nfs/dbraw/zinc/13/98/28/450139828.db2.gz ZVNARKWRAPGADB-IAGOWNOFSA-N 1 2 330.407 1.629 20 30 EDEDLO COc1cc(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(F)cc1C#N ZINC000599817667 450234095 /nfs/dbraw/zinc/23/40/95/450234095.db2.gz RIDIAXDKKFNLGN-LBPRGKRZSA-N 1 2 349.410 1.463 20 30 EDEDLO COc1cc(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(F)cc1C#N ZINC000599817664 450234410 /nfs/dbraw/zinc/23/44/10/450234410.db2.gz RIDIAXDKKFNLGN-GFCCVEGCSA-N 1 2 349.410 1.463 20 30 EDEDLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@](F)(C#N)C1 ZINC000615639519 450181463 /nfs/dbraw/zinc/18/14/63/450181463.db2.gz MDWCRMBPTACWGW-WMLDXEAASA-N 1 2 331.395 1.056 20 30 EDEDLO CC(=O)c1nc(CC[NH+]2CCN(c3cnccc3C#N)CC2)[nH]c1C ZINC000595500272 450188441 /nfs/dbraw/zinc/18/84/41/450188441.db2.gz DHCVUVZGLHUIEQ-UHFFFAOYSA-N 1 2 338.415 1.552 20 30 EDEDLO CC(=O)c1[nH]c(CC[NH+]2CCN(c3cnccc3C#N)CC2)nc1C ZINC000595500272 450188446 /nfs/dbraw/zinc/18/84/46/450188446.db2.gz DHCVUVZGLHUIEQ-UHFFFAOYSA-N 1 2 338.415 1.552 20 30 EDEDLO CN1CCN(c2cc(N[C@H]3CCc4cc(C#N)ccc43)[nH+]cn2)CC1=O ZINC000618693304 450274356 /nfs/dbraw/zinc/27/43/56/450274356.db2.gz DJHACMBZTPIZTF-INIZCTEOSA-N 1 2 348.410 1.726 20 30 EDEDLO CN1CCN(c2cc(N[C@H]3CCc4cc(C#N)ccc43)nc[nH+]2)CC1=O ZINC000618693304 450274362 /nfs/dbraw/zinc/27/43/62/450274362.db2.gz DJHACMBZTPIZTF-INIZCTEOSA-N 1 2 348.410 1.726 20 30 EDEDLO N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)n1 ZINC000615792363 450240521 /nfs/dbraw/zinc/24/05/21/450240521.db2.gz FNQHABYEZMEIHA-CQSZACIVSA-N 1 2 336.399 1.061 20 30 EDEDLO N#Cc1cccc(NC(=O)Cn2cc[nH+]c2CN2CCOCC2)c1 ZINC000603421029 450293749 /nfs/dbraw/zinc/29/37/49/450293749.db2.gz ANERIQSKTBPXQK-UHFFFAOYSA-N 1 2 325.372 1.226 20 30 EDEDLO C=C[C@@H](C(=O)OC)N1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000619717820 450318433 /nfs/dbraw/zinc/31/84/33/450318433.db2.gz MQXUKFQCEIFDHM-DLBZAZTESA-N 1 2 343.427 1.137 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000620308751 450468440 /nfs/dbraw/zinc/46/84/40/450468440.db2.gz BBNMNBADOANFDW-CALCHBBNSA-N 1 2 326.444 1.913 20 30 EDEDLO C=CCOCCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624369701 450814913 /nfs/dbraw/zinc/81/49/13/450814913.db2.gz MXNCNCXUTISNCF-QGZVFWFLSA-N 1 2 348.447 1.174 20 30 EDEDLO C=CCOCCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624369701 450814916 /nfs/dbraw/zinc/81/49/16/450814916.db2.gz MXNCNCXUTISNCF-QGZVFWFLSA-N 1 2 348.447 1.174 20 30 EDEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1OC ZINC000628189218 451174492 /nfs/dbraw/zinc/17/44/92/451174492.db2.gz VGXABNYUQWJSJB-BETUJISGSA-N 1 2 327.808 1.841 20 30 EDEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1OC ZINC000628189218 451174496 /nfs/dbraw/zinc/17/44/96/451174496.db2.gz VGXABNYUQWJSJB-BETUJISGSA-N 1 2 327.808 1.841 20 30 EDEDLO C=C1CC(C)(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC000630748623 451381962 /nfs/dbraw/zinc/38/19/62/451381962.db2.gz IMGMEXBNSCSPTF-UHFFFAOYSA-N 1 2 327.428 1.786 20 30 EDEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636970582 451648702 /nfs/dbraw/zinc/64/87/02/451648702.db2.gz RIZRWYPJLSPHTJ-HNNXBMFYSA-N 1 2 326.400 1.672 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)NCc2ccc(Cl)cc2)nn1 ZINC000640881533 451670082 /nfs/dbraw/zinc/67/00/82/451670082.db2.gz QQACNBFVGAEPHL-CYBMUJFWSA-N 1 2 345.834 1.922 20 30 EDEDLO C=CC(C)(C)CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000637189508 451752143 /nfs/dbraw/zinc/75/21/43/451752143.db2.gz ASFBRJUUGNPZFN-KRWDZBQOSA-N 1 2 325.453 1.114 20 30 EDEDLO C=CC(C)(C)CNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000637189508 451752144 /nfs/dbraw/zinc/75/21/44/451752144.db2.gz ASFBRJUUGNPZFN-KRWDZBQOSA-N 1 2 325.453 1.114 20 30 EDEDLO C=CCNS(=O)(=O)c1ccccc1NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000641329472 451851858 /nfs/dbraw/zinc/85/18/58/451851858.db2.gz POLRFTPBFZIGSM-AWEZNQCLSA-N 1 2 339.461 1.284 20 30 EDEDLO C=CCNS(=O)(=O)c1ccccc1NCC[N@H+]1CCO[C@@H](C)C1 ZINC000641329472 451851866 /nfs/dbraw/zinc/85/18/66/451851866.db2.gz POLRFTPBFZIGSM-AWEZNQCLSA-N 1 2 339.461 1.284 20 30 EDEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637446865 451863704 /nfs/dbraw/zinc/86/37/04/451863704.db2.gz UHQNUGULZCWBRT-INIZCTEOSA-N 1 2 333.432 1.723 20 30 EDEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637446865 451863708 /nfs/dbraw/zinc/86/37/08/451863708.db2.gz UHQNUGULZCWBRT-INIZCTEOSA-N 1 2 333.432 1.723 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000637624531 451976920 /nfs/dbraw/zinc/97/69/20/451976920.db2.gz ZHENTIQMEXOZHL-OAHLLOKOSA-N 1 2 327.469 1.313 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2nnc(C)o2)c(OC)c1 ZINC000661531028 452347292 /nfs/dbraw/zinc/34/72/92/452347292.db2.gz DUIHRULRLJNXBP-HNNXBMFYSA-N 1 2 347.415 1.987 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2nnc(C)o2)c(OC)c1 ZINC000661531028 452347301 /nfs/dbraw/zinc/34/73/01/452347301.db2.gz DUIHRULRLJNXBP-HNNXBMFYSA-N 1 2 347.415 1.987 20 30 EDEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000640109763 452433521 /nfs/dbraw/zinc/43/35/21/452433521.db2.gz CXFFAEXDGPAFBT-UHFFFAOYSA-N 1 2 331.460 1.934 20 30 EDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000640109763 452433529 /nfs/dbraw/zinc/43/35/29/452433529.db2.gz CXFFAEXDGPAFBT-UHFFFAOYSA-N 1 2 331.460 1.934 20 30 EDEDLO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000662077865 452825987 /nfs/dbraw/zinc/82/59/87/452825987.db2.gz ISYIOFAGRPHZCZ-YJBOKZPZSA-N 1 2 332.400 1.873 20 30 EDEDLO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000662077865 452825995 /nfs/dbraw/zinc/82/59/95/452825995.db2.gz ISYIOFAGRPHZCZ-YJBOKZPZSA-N 1 2 332.400 1.873 20 30 EDEDLO C=CCn1cc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)nn1 ZINC000648221506 452922113 /nfs/dbraw/zinc/92/21/13/452922113.db2.gz YYZUUZZUTNMYOV-UHFFFAOYSA-N 1 2 325.416 1.731 20 30 EDEDLO CC#CC[C@H](CO)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000646266059 453270992 /nfs/dbraw/zinc/27/09/92/453270992.db2.gz OLWVOFQIEQICKX-OAHLLOKOSA-N 1 2 342.399 1.858 20 30 EDEDLO CC#CC[C@@H](CO)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000646266058 453271651 /nfs/dbraw/zinc/27/16/51/453271651.db2.gz OLWVOFQIEQICKX-HNNXBMFYSA-N 1 2 342.399 1.858 20 30 EDEDLO C=CCOCCCC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000646324791 453320625 /nfs/dbraw/zinc/32/06/25/453320625.db2.gz IXRVVWVKPQOMCG-MRXNPFEDSA-N 1 2 342.505 1.636 20 30 EDEDLO C=CCOC[C@@H]1NC(=O)N(Cc2ccc[nH+]c2N2CCCC2)C1=O ZINC000656828764 453473560 /nfs/dbraw/zinc/47/35/60/453473560.db2.gz PNCTWKHPNQCOGD-AWEZNQCLSA-N 1 2 330.388 1.305 20 30 EDEDLO C=C[C@@H](O)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000646628952 453524123 /nfs/dbraw/zinc/52/41/23/453524123.db2.gz TWWNSEYXQOIXKS-CABCVRRESA-N 1 2 331.372 1.190 20 30 EDEDLO CC#CCCNC(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000681520825 487068258 /nfs/dbraw/zinc/06/82/58/487068258.db2.gz XCHYLRWDLHKQJP-INIZCTEOSA-N 1 2 339.399 1.239 20 30 EDEDLO C=CCC[C@@H](O)C[NH+]1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000681485201 487060060 /nfs/dbraw/zinc/06/00/60/487060060.db2.gz QKXMWQKFHKGNCO-OAHLLOKOSA-N 1 2 336.457 1.390 20 30 EDEDLO C=CCOCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000679482493 487430515 /nfs/dbraw/zinc/43/05/15/487430515.db2.gz KHCPGAYBNUGYCO-HUUCEWRRSA-N 1 2 348.447 1.697 20 30 EDEDLO CCC#C[C@H](C)[NH+]1CCN(S(=O)(=O)N(CCC)CCC)CC1 ZINC000683100606 487449329 /nfs/dbraw/zinc/44/93/29/487449329.db2.gz USRBGJCCUUEGNJ-INIZCTEOSA-N 1 2 329.510 1.773 20 30 EDEDLO C=CCCCNC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000448033301 485943164 /nfs/dbraw/zinc/94/31/64/485943164.db2.gz ZFAMZNBEOAPBAC-MRXNPFEDSA-N 1 2 336.480 1.681 20 30 EDEDLO C=CCCN(C)C(=O)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000670731406 486124587 /nfs/dbraw/zinc/12/45/87/486124587.db2.gz GJAXVOOTSHFQLE-HNNXBMFYSA-N 1 2 326.400 1.660 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000164577947 526601941 /nfs/dbraw/zinc/60/19/41/526601941.db2.gz LXWNPJYACNXHJM-MRXNPFEDSA-N 1 2 344.459 1.826 20 30 EDEDLO C=C(C)COc1cc(C[NH+]2CCN(C(=O)COC)CC2)ccc1OC ZINC000128735787 526659875 /nfs/dbraw/zinc/65/98/75/526659875.db2.gz PNTXNYCVACAONA-UHFFFAOYSA-N 1 2 348.443 1.941 20 30 EDEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(S(N)(=O)=O)cc2)cc1F ZINC000727649506 578536854 /nfs/dbraw/zinc/53/68/54/578536854.db2.gz AAAVFKXFQCMXBC-UHFFFAOYSA-N 1 2 336.392 1.985 20 30 EDEDLO C#Cc1ccc(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)nc1 ZINC000728813156 578552372 /nfs/dbraw/zinc/55/23/72/578552372.db2.gz VXSCMFXAEAIZDJ-AWEZNQCLSA-N 1 2 336.395 1.613 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000730015105 578606602 /nfs/dbraw/zinc/60/66/02/578606602.db2.gz RHCWROVIZTZWPR-CQSZACIVSA-N 1 2 349.398 1.349 20 30 EDEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000730015105 578606604 /nfs/dbraw/zinc/60/66/04/578606604.db2.gz RHCWROVIZTZWPR-CQSZACIVSA-N 1 2 349.398 1.349 20 30 EDEDLO O=c1nc(N[NH+]=Cc2ccccc2N2CCCCC2)nc2[nH][nH]cc1-2 ZINC000731154469 578669066 /nfs/dbraw/zinc/66/90/66/578669066.db2.gz NBMKLVNDQXLNBU-UHFFFAOYSA-N 1 2 337.387 1.868 20 30 EDEDLO C#CC[N@@H+](CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000731213408 578670975 /nfs/dbraw/zinc/67/09/75/578670975.db2.gz BBIFZEXVDWBYTL-INIZCTEOSA-N 1 2 337.441 1.334 20 30 EDEDLO C#CC[N@H+](CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000731213408 578670976 /nfs/dbraw/zinc/67/09/76/578670976.db2.gz BBIFZEXVDWBYTL-INIZCTEOSA-N 1 2 337.441 1.334 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000732350488 578707103 /nfs/dbraw/zinc/70/71/03/578707103.db2.gz MHSWTBCOBHGEIO-YVEFUNNKSA-N 1 2 328.372 1.934 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000734213697 578801323 /nfs/dbraw/zinc/80/13/23/578801323.db2.gz BXEJUJBZFKKHKF-HNNXBMFYSA-N 1 2 331.416 1.219 20 30 EDEDLO C#CCOc1ccccc1CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000734213697 578801325 /nfs/dbraw/zinc/80/13/25/578801325.db2.gz BXEJUJBZFKKHKF-HNNXBMFYSA-N 1 2 331.416 1.219 20 30 EDEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCSC1 ZINC000760886486 580040643 /nfs/dbraw/zinc/04/06/43/580040643.db2.gz AFDLTAUEIQRIGC-DGCLKSJQSA-N 1 2 342.424 1.949 20 30 EDEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCSC1 ZINC000760886486 580040644 /nfs/dbraw/zinc/04/06/44/580040644.db2.gz AFDLTAUEIQRIGC-DGCLKSJQSA-N 1 2 342.424 1.949 20 30 EDEDLO Cn1cc(N2CC[NH+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC2)cn1 ZINC000746383701 579591081 /nfs/dbraw/zinc/59/10/81/579591081.db2.gz YJXYEWDAVHRXNZ-UHFFFAOYSA-N 1 2 347.426 1.935 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000747326267 579638189 /nfs/dbraw/zinc/63/81/89/579638189.db2.gz JLEXWPVYMWQHNZ-UHFFFAOYSA-N 1 2 335.411 1.531 20 30 EDEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)OCC[NH+]2CCOCC2)cc1 ZINC000747697958 579654569 /nfs/dbraw/zinc/65/45/69/579654569.db2.gz GSYGYXIQKPALSI-QGZVFWFLSA-N 1 2 329.400 1.402 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000749793604 579739870 /nfs/dbraw/zinc/73/98/70/579739870.db2.gz WVHOTBZHAYCINB-OAHLLOKOSA-N 1 2 345.428 1.003 20 30 EDEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000749793604 579739871 /nfs/dbraw/zinc/73/98/71/579739871.db2.gz WVHOTBZHAYCINB-OAHLLOKOSA-N 1 2 345.428 1.003 20 30 EDEDLO COC(=O)c1ccc(N2CC[N@H+](CC(=O)NCCC#N)[C@H](C)C2)cc1 ZINC000749913618 579743747 /nfs/dbraw/zinc/74/37/47/579743747.db2.gz AQUGXIQXAFNOTJ-CQSZACIVSA-N 1 2 344.415 1.014 20 30 EDEDLO COC(=O)c1ccc(N2CC[N@@H+](CC(=O)NCCC#N)[C@H](C)C2)cc1 ZINC000749913618 579743749 /nfs/dbraw/zinc/74/37/49/579743749.db2.gz AQUGXIQXAFNOTJ-CQSZACIVSA-N 1 2 344.415 1.014 20 30 EDEDLO CCOc1ccc(C=[NH+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c(O)c1 ZINC000751891217 579826511 /nfs/dbraw/zinc/82/65/11/579826511.db2.gz XAUJXLABWPMVLH-ONORYSHOSA-N 1 2 345.399 1.930 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000757066878 579963197 /nfs/dbraw/zinc/96/31/97/579963197.db2.gz OTMATLKUNLWWDB-ZBFHGGJFSA-N 1 2 341.411 1.014 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000757066878 579963198 /nfs/dbraw/zinc/96/31/98/579963198.db2.gz OTMATLKUNLWWDB-ZBFHGGJFSA-N 1 2 341.411 1.014 20 30 EDEDLO C(=NNC1CCOCC1)c1cccc(C=[NH+]NC2CCOCC2)c1 ZINC000757596815 579968693 /nfs/dbraw/zinc/96/86/93/579968693.db2.gz FGIHBYQKQOEWDX-UHFFFAOYSA-N 1 2 330.432 1.892 20 30 EDEDLO Cc1cc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc[nH+]1 ZINC000757807078 579971586 /nfs/dbraw/zinc/97/15/86/579971586.db2.gz DIRBPKVCRFCBDP-GXTWGEPZSA-N 1 2 345.403 1.693 20 30 EDEDLO NS(=O)(=O)c1ccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)cc1 ZINC000758354305 579980605 /nfs/dbraw/zinc/98/06/05/579980605.db2.gz GZZKMIREJWGKGQ-UHFFFAOYSA-N 1 2 345.428 1.775 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000762925098 580088161 /nfs/dbraw/zinc/08/81/61/580088161.db2.gz KOIRIBOQPMJNRZ-NWRYFCBHSA-N 1 2 342.443 1.610 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000762925098 580088162 /nfs/dbraw/zinc/08/81/62/580088162.db2.gz KOIRIBOQPMJNRZ-NWRYFCBHSA-N 1 2 342.443 1.610 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000764531800 580122854 /nfs/dbraw/zinc/12/28/54/580122854.db2.gz JLYHYZKXOSHNFT-HOCLYGCPSA-N 1 2 338.411 1.935 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000764531800 580122855 /nfs/dbraw/zinc/12/28/55/580122855.db2.gz JLYHYZKXOSHNFT-HOCLYGCPSA-N 1 2 338.411 1.935 20 30 EDEDLO N#Cc1ccc(NCCNc2cc(N3CCSCC3)nc[nH+]2)nc1 ZINC000764771326 580128371 /nfs/dbraw/zinc/12/83/71/580128371.db2.gz XCPRPQKIYNZRRO-UHFFFAOYSA-N 1 2 341.444 1.820 20 30 EDEDLO N#Cc1ccc(NCCNc2cc(N3CCSCC3)[nH+]cn2)nc1 ZINC000764771326 580128372 /nfs/dbraw/zinc/12/83/72/580128372.db2.gz XCPRPQKIYNZRRO-UHFFFAOYSA-N 1 2 341.444 1.820 20 30 EDEDLO CC(=O)NCC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766612242 580170142 /nfs/dbraw/zinc/17/01/42/580170142.db2.gz MQCDYOJKTLITRV-UHFFFAOYSA-N 1 2 328.416 1.014 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000767655849 580196227 /nfs/dbraw/zinc/19/62/27/580196227.db2.gz OVSGQTYNYSRPKZ-CYBMUJFWSA-N 1 2 348.403 1.999 20 30 EDEDLO N#CCNC(=O)C[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000769836937 580246723 /nfs/dbraw/zinc/24/67/23/580246723.db2.gz WTKJEXMRFCLNJU-UHFFFAOYSA-N 1 2 341.333 1.629 20 30 EDEDLO C#C[C@@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CCCO1 ZINC000773167462 580329397 /nfs/dbraw/zinc/32/93/97/580329397.db2.gz PZRHTCTZTMSICE-CABCVRRESA-N 1 2 325.372 1.247 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1ccc(Cl)cn1 ZINC000774323010 580359698 /nfs/dbraw/zinc/35/96/98/580359698.db2.gz YPUVISMBBNSTGE-UHFFFAOYSA-N 1 2 341.868 1.255 20 30 EDEDLO CCCn1c(=O)c(=Cc2cc(OC)cc(C)[nH+]2)sc1=C(C#N)C#N ZINC000776752323 580427796 /nfs/dbraw/zinc/42/77/96/580427796.db2.gz IPUQKWXGUDQUCG-UHFFFAOYSA-N 1 2 340.408 1.058 20 30 EDEDLO C#CCOCCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000784370473 580619644 /nfs/dbraw/zinc/61/96/44/580619644.db2.gz PEZFFZWMLIAEMG-CQSZACIVSA-N 1 2 325.359 1.517 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000787239353 580690353 /nfs/dbraw/zinc/69/03/53/580690353.db2.gz NGHQYXGJPKXLKC-MNOVXSKESA-N 1 2 346.353 1.032 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000787239353 580690354 /nfs/dbraw/zinc/69/03/54/580690354.db2.gz NGHQYXGJPKXLKC-MNOVXSKESA-N 1 2 346.353 1.032 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cn3c4ccccc4oc3=O)C2)nc1 ZINC000793607318 580848856 /nfs/dbraw/zinc/84/88/56/580848856.db2.gz OYCDTDBBUVNFCI-CQSZACIVSA-N 1 2 336.351 1.972 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cn3c4ccccc4oc3=O)C2)nc1 ZINC000793607318 580848857 /nfs/dbraw/zinc/84/88/57/580848857.db2.gz OYCDTDBBUVNFCI-CQSZACIVSA-N 1 2 336.351 1.972 20 30 EDEDLO Oc1ccc2c(c1)C(=NNC(=S)NCC[NH+]1CCOCC1)CCC2 ZINC000794466833 580893597 /nfs/dbraw/zinc/89/35/97/580893597.db2.gz BOIVKJTZZOAREZ-UHFFFAOYSA-N 1 2 348.472 1.229 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@H+](Cn1cc3c(c(C#N)c1=O)CCC3)CCO2 ZINC000794658419 580901657 /nfs/dbraw/zinc/90/16/57/580901657.db2.gz IJWRBCJAWGSBPD-FZKQIMNGSA-N 1 2 329.400 1.046 20 30 EDEDLO C[C@H]1OCC[C@@]12C[N@@H+](Cn1cc3c(c(C#N)c1=O)CCC3)CCO2 ZINC000794658419 580901658 /nfs/dbraw/zinc/90/16/58/580901658.db2.gz IJWRBCJAWGSBPD-FZKQIMNGSA-N 1 2 329.400 1.046 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000794986688 580910036 /nfs/dbraw/zinc/91/00/36/580910036.db2.gz LBTNQTDCQLRIDU-JYAVWHMHSA-N 1 2 333.775 1.501 20 30 EDEDLO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C[C@@H]21 ZINC000794986688 580910037 /nfs/dbraw/zinc/91/00/37/580910037.db2.gz LBTNQTDCQLRIDU-JYAVWHMHSA-N 1 2 333.775 1.501 20 30 EDEDLO C#CCC[C@@H](O)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000799081829 581016088 /nfs/dbraw/zinc/01/60/88/581016088.db2.gz ONCVEYXOWXHJNY-MAUKXSAKSA-N 1 2 347.434 1.227 20 30 EDEDLO Cn1nccc1[C@H]1CCC[N@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000800858592 581060042 /nfs/dbraw/zinc/06/00/42/581060042.db2.gz NVEQMKMAQDXCLU-LBPRGKRZSA-N 1 2 331.449 1.588 20 30 EDEDLO Cn1nccc1[C@H]1CCC[N@@H+](Cn2nc(CC#N)n(C)c2=S)C1 ZINC000800858592 581060043 /nfs/dbraw/zinc/06/00/43/581060043.db2.gz NVEQMKMAQDXCLU-LBPRGKRZSA-N 1 2 331.449 1.588 20 30 EDEDLO C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801930320 581088453 /nfs/dbraw/zinc/08/84/53/581088453.db2.gz MPCFKBLFFKFFRR-LSDHHAIUSA-N 1 2 348.422 1.699 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000801932516 581088473 /nfs/dbraw/zinc/08/84/73/581088473.db2.gz OFGJIFYTDVZFMG-CGZBRXJRSA-N 1 2 336.480 1.228 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000801931105 581088487 /nfs/dbraw/zinc/08/84/87/581088487.db2.gz PHCQCNASVHLHKG-AWEZNQCLSA-N 1 2 335.835 1.955 20 30 EDEDLO C#CCCOc1ccc(C(=O)O[C@H]2C[N@H+](C)[C@](C)(C(=O)OC)C2)cc1 ZINC000893577573 590980791 /nfs/dbraw/zinc/98/07/91/590980791.db2.gz NTOHGSPMMAATTR-APWZRJJASA-N 1 2 345.395 1.881 20 30 EDEDLO C#CCCOc1ccc(C(=O)O[C@H]2C[N@@H+](C)[C@](C)(C(=O)OC)C2)cc1 ZINC000893577573 590980793 /nfs/dbraw/zinc/98/07/93/590980793.db2.gz NTOHGSPMMAATTR-APWZRJJASA-N 1 2 345.395 1.881 20 30 EDEDLO COC(=O)[C@@H]1[C@H](C[NH+]2CCN(c3ncccc3C#N)CC2)C1(F)F ZINC000893916490 591137079 /nfs/dbraw/zinc/13/70/79/591137079.db2.gz ITMSKOPLVWQOMC-STQMWFEESA-N 1 2 336.342 1.130 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)nn2C(C)(C)C)C1 ZINC000891605550 591146553 /nfs/dbraw/zinc/14/65/53/591146553.db2.gz FXTUBLKDDSYTAK-CQSZACIVSA-N 1 2 345.447 1.099 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)nn2C(C)(C)C)C1 ZINC000891605550 591146554 /nfs/dbraw/zinc/14/65/54/591146554.db2.gz FXTUBLKDDSYTAK-CQSZACIVSA-N 1 2 345.447 1.099 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cn(C)c[nH+]1 ZINC000898632091 591454472 /nfs/dbraw/zinc/45/44/72/591454472.db2.gz RPYAFJVKTPSSPQ-UHFFFAOYSA-N 1 2 327.388 1.650 20 30 EDEDLO CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1OC ZINC000896505067 591483711 /nfs/dbraw/zinc/48/37/11/591483711.db2.gz KTQLMXBJMHTKPT-OAHLLOKOSA-N 1 2 331.416 1.946 20 30 EDEDLO CCNC(=O)COc1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1OC ZINC000896505067 591483715 /nfs/dbraw/zinc/48/37/15/591483715.db2.gz KTQLMXBJMHTKPT-OAHLLOKOSA-N 1 2 331.416 1.946 20 30 EDEDLO C[C@H](Nc1ncc(Br)cc1C#N)[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246479 591679662 /nfs/dbraw/zinc/67/96/62/591679662.db2.gz CCOZMKULRBNFAY-GWCFXTLKSA-N 1 2 338.253 1.762 20 30 EDEDLO C[C@H](Nc1ncc(Br)cc1C#N)[C@@H]1CN(C)CC[N@H+]1C ZINC000895246479 591679664 /nfs/dbraw/zinc/67/96/64/591679664.db2.gz CCOZMKULRBNFAY-GWCFXTLKSA-N 1 2 338.253 1.762 20 30 EDEDLO C#Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC000896978540 591698905 /nfs/dbraw/zinc/69/89/05/591698905.db2.gz IAXPYRUAIWNXRW-SFHVURJKSA-N 1 2 328.412 1.231 20 30 EDEDLO COC(=O)[C@@H]1[C@@H](C[NH+]2CCN(c3ccc(C#N)nc3)CC2)C1(F)F ZINC000895374585 591735080 /nfs/dbraw/zinc/73/50/80/591735080.db2.gz RYGJVWXZCPVZPV-KGLIPLIRSA-N 1 2 336.342 1.130 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cncc4nc[nH]c43)CC2)cc1 ZINC000895408100 591746807 /nfs/dbraw/zinc/74/68/07/591746807.db2.gz OETPBBSIZXCQAE-UHFFFAOYSA-N 1 2 346.394 1.788 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]cc4ncnc3-4)CC2)cc1 ZINC000895408100 591746809 /nfs/dbraw/zinc/74/68/09/591746809.db2.gz OETPBBSIZXCQAE-UHFFFAOYSA-N 1 2 346.394 1.788 20 30 EDEDLO NC(=NOC[C@@H]1C[C@]12CCOC2)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902227077 591949965 /nfs/dbraw/zinc/94/99/65/591949965.db2.gz VJRZQFBKQKSMQG-HKUYNNGSSA-N 1 2 345.443 1.582 20 30 EDEDLO CC[C@H](O)C[NH+]1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 ZINC000900600017 592065043 /nfs/dbraw/zinc/06/50/43/592065043.db2.gz HOGYVDMPMYHQPN-AWEZNQCLSA-N 1 2 337.370 1.565 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CC2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000906674848 592255904 /nfs/dbraw/zinc/25/59/04/592255904.db2.gz LRWIWOWTCRURFC-UHFFFAOYSA-N 1 2 335.448 1.457 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)cc1 ZINC000908030590 592267528 /nfs/dbraw/zinc/26/75/28/592267528.db2.gz YOBIUFXDILRLDL-IWAYRVGRSA-N 1 2 327.428 1.240 20 30 EDEDLO Cc1ccc(C(=O)/C=C/C(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)cc1 ZINC000908030590 592267533 /nfs/dbraw/zinc/26/75/33/592267533.db2.gz YOBIUFXDILRLDL-IWAYRVGRSA-N 1 2 327.428 1.240 20 30 EDEDLO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc(C)c1C#N ZINC000906839322 592363251 /nfs/dbraw/zinc/36/32/51/592363251.db2.gz AEOZCALXRFBNRI-CRAIPNDOSA-N 1 2 327.428 1.968 20 30 EDEDLO CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(C[C@@H]2CC[N@@H+]2C)C1=O ZINC000901503606 592378421 /nfs/dbraw/zinc/37/84/21/592378421.db2.gz UECAYLGLCOGBIB-UONOGXRCSA-N 1 2 346.456 1.458 20 30 EDEDLO CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000901503606 592378426 /nfs/dbraw/zinc/37/84/26/592378426.db2.gz UECAYLGLCOGBIB-UONOGXRCSA-N 1 2 346.456 1.458 20 30 EDEDLO CNC(=O)CC1SC(=Nc2ccccc2)N(C[C@@H]2CC[N@@H+]2C)C1=O ZINC000901503606 592378431 /nfs/dbraw/zinc/37/84/31/592378431.db2.gz UECAYLGLCOGBIB-UONOGXRCSA-N 1 2 346.456 1.458 20 30 EDEDLO CNC(=O)CC1SC(=Nc2ccccc2)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000901503606 592378436 /nfs/dbraw/zinc/37/84/36/592378436.db2.gz UECAYLGLCOGBIB-UONOGXRCSA-N 1 2 346.456 1.458 20 30 EDEDLO C#Cc1ccc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1 ZINC000907247706 592570911 /nfs/dbraw/zinc/57/09/11/592570911.db2.gz GYXXOJMVCPTOGQ-UHFFFAOYSA-N 1 2 336.457 1.399 20 30 EDEDLO C#CC[N@@H+](CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O)C(C)C ZINC000905749161 592628632 /nfs/dbraw/zinc/62/86/32/592628632.db2.gz NHIHDDVPVCPSJJ-IBGZPJMESA-N 1 2 343.427 1.849 20 30 EDEDLO C#CC[N@H+](CN1C(=O)N[C@@](C)(Cc2ccc(OC)cc2)C1=O)C(C)C ZINC000905749161 592628635 /nfs/dbraw/zinc/62/86/35/592628635.db2.gz NHIHDDVPVCPSJJ-IBGZPJMESA-N 1 2 343.427 1.849 20 30 EDEDLO C=CC[C@H]([NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OC ZINC000905778781 592636470 /nfs/dbraw/zinc/63/64/70/592636470.db2.gz SJDXBIFCJOSSMR-WFASDCNBSA-N 1 2 325.430 1.901 20 30 EDEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@H+](C)C[C@H](C)O2)n1CCOC ZINC000909164999 592758115 /nfs/dbraw/zinc/75/81/15/592758115.db2.gz JQHRPBJLCLBQIY-XHSDSOJGSA-N 1 2 347.463 1.308 20 30 EDEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H]2C[N@@H+](C)C[C@H](C)O2)n1CCOC ZINC000909164999 592758118 /nfs/dbraw/zinc/75/81/18/592758118.db2.gz JQHRPBJLCLBQIY-XHSDSOJGSA-N 1 2 347.463 1.308 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000839956883 593229712 /nfs/dbraw/zinc/22/97/12/593229712.db2.gz ACHDZKSIHOZEPD-QGZVFWFLSA-N 1 2 330.428 1.632 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1)CN1CC2(CCOCC2)[C@H](O)C1=O ZINC000839956883 593229714 /nfs/dbraw/zinc/22/97/14/593229714.db2.gz ACHDZKSIHOZEPD-QGZVFWFLSA-N 1 2 330.428 1.632 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CN1C(=O)CCC1(C)C ZINC000808168357 593233058 /nfs/dbraw/zinc/23/30/58/593233058.db2.gz LHSVJVSHZIEGBO-ZDUSSCGKSA-N 1 2 328.420 1.217 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CN1C(=O)CCC1(C)C ZINC000808168357 593233059 /nfs/dbraw/zinc/23/30/59/593233059.db2.gz LHSVJVSHZIEGBO-ZDUSSCGKSA-N 1 2 328.420 1.217 20 30 EDEDLO C[C@@H]1CN(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)C(=O)[C@H]1C ZINC000839960459 593240594 /nfs/dbraw/zinc/24/05/94/593240594.db2.gz KIMCRFQNBKDZFM-KGLIPLIRSA-N 1 2 330.407 1.891 20 30 EDEDLO C#CC[NH+](CC#C)[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000839500647 593311965 /nfs/dbraw/zinc/31/19/65/593311965.db2.gz NUSKYSHZTCFJHN-MRXNPFEDSA-N 1 2 327.403 1.431 20 30 EDEDLO N#Cc1csc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1 ZINC000811507326 593472452 /nfs/dbraw/zinc/47/24/52/593472452.db2.gz YQZCPIFNOKDDHV-UHFFFAOYSA-N 1 2 343.412 1.552 20 30 EDEDLO C#CCCCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000817824980 593637464 /nfs/dbraw/zinc/63/74/64/593637464.db2.gz HJYHMADGTFFJMC-MRXNPFEDSA-N 1 2 327.428 1.249 20 30 EDEDLO C#CCCCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000817824980 593637465 /nfs/dbraw/zinc/63/74/65/593637465.db2.gz HJYHMADGTFFJMC-MRXNPFEDSA-N 1 2 327.428 1.249 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)Cc2cscc2Br)CC1 ZINC000815594130 593643569 /nfs/dbraw/zinc/64/35/69/593643569.db2.gz HHEJFROFPKGRJY-UHFFFAOYSA-N 1 2 327.247 1.831 20 30 EDEDLO C#CCOc1ccc(NC(=O)C(=O)NCc2c[nH+]ccc2OC)cc1 ZINC000815768265 593651713 /nfs/dbraw/zinc/65/17/13/593651713.db2.gz SFDWXGQQZDEWRR-UHFFFAOYSA-N 1 2 339.351 1.357 20 30 EDEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000815767130 593651765 /nfs/dbraw/zinc/65/17/65/593651765.db2.gz CPWNBBJHOYMMRE-UHFFFAOYSA-N 1 2 340.339 1.247 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000819483383 593756280 /nfs/dbraw/zinc/75/62/80/593756280.db2.gz PQEJVSQAEFUXSP-QXAKKESOSA-N 1 2 347.459 1.987 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000819483383 593756281 /nfs/dbraw/zinc/75/62/81/593756281.db2.gz PQEJVSQAEFUXSP-QXAKKESOSA-N 1 2 347.459 1.987 20 30 EDEDLO CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2ccc(N)[nH+]c2)c1 ZINC000821040314 593951278 /nfs/dbraw/zinc/95/12/78/593951278.db2.gz XMAYGILDILCSNQ-SOFGYWHQSA-N 1 2 331.397 1.810 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000824245780 593965304 /nfs/dbraw/zinc/96/53/04/593965304.db2.gz REPVIFSUQCZTPN-QGZVFWFLSA-N 1 2 326.400 1.959 20 30 EDEDLO N#Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1F ZINC000822016848 593982873 /nfs/dbraw/zinc/98/28/73/593982873.db2.gz FCVONVGPFVYXMK-WBVHZDCISA-N 1 2 347.390 1.193 20 30 EDEDLO C#C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1CCOCC1 ZINC000824693169 594057688 /nfs/dbraw/zinc/05/76/88/594057688.db2.gz MAGZNQDTVWREMT-INIZCTEOSA-N 1 2 325.368 1.736 20 30 EDEDLO CC(C)C#CC(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000823554783 594216626 /nfs/dbraw/zinc/21/66/26/594216626.db2.gz YEIDAUXOQHTKIO-UHFFFAOYSA-N 1 2 349.456 1.221 20 30 EDEDLO C[C@H]1C[NH+]=C(N2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)S1 ZINC000827685356 594257878 /nfs/dbraw/zinc/25/78/78/594257878.db2.gz MEKVZMTXFMKXJX-JTQLQIEISA-N 1 2 332.389 1.475 20 30 EDEDLO COC(=O)C1(C#N)CCN(C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000825922406 594280466 /nfs/dbraw/zinc/28/04/66/594280466.db2.gz QRDFUUJXYZMVTA-UHFFFAOYSA-N 1 2 341.371 1.953 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826551778 594523399 /nfs/dbraw/zinc/52/33/99/594523399.db2.gz PQIUEVTZEZKIAZ-AEFFLSMTSA-N 1 2 330.428 1.350 20 30 EDEDLO C#CCO[C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826551778 594523400 /nfs/dbraw/zinc/52/34/00/594523400.db2.gz PQIUEVTZEZKIAZ-AEFFLSMTSA-N 1 2 330.428 1.350 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000829048028 594557477 /nfs/dbraw/zinc/55/74/77/594557477.db2.gz JTDLGIFSPFIGIP-CQSZACIVSA-N 1 2 331.407 1.645 20 30 EDEDLO C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000829048028 594557478 /nfs/dbraw/zinc/55/74/78/594557478.db2.gz JTDLGIFSPFIGIP-CQSZACIVSA-N 1 2 331.407 1.645 20 30 EDEDLO C[S@](=O)CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000829345026 594600007 /nfs/dbraw/zinc/60/00/07/594600007.db2.gz FYXLSBNSFOPLEQ-VFNWGFHPSA-N 1 2 325.865 1.901 20 30 EDEDLO CCCC(=NNC(=S)NCC[NH+]1CCOCC1)[C@H]1CC1(C)C ZINC000841607328 594928850 /nfs/dbraw/zinc/92/88/50/594928850.db2.gz RQNVOLBORVHPQI-CYBMUJFWSA-N 1 2 326.510 1.985 20 30 EDEDLO C#C[C@H](NS(=O)(=O)C[C@@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000867282904 594995856 /nfs/dbraw/zinc/99/58/56/594995856.db2.gz WQXMUVPGVHPSOX-GJZGRUSLSA-N 1 2 342.848 1.264 20 30 EDEDLO C#C[C@H](NS(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000867282904 594995858 /nfs/dbraw/zinc/99/58/58/594995858.db2.gz WQXMUVPGVHPSOX-GJZGRUSLSA-N 1 2 342.848 1.264 20 30 EDEDLO NC(C[NH+]1CCSCC1)=NOCC(=O)NCCC1CCCCC1 ZINC000121468527 594997964 /nfs/dbraw/zinc/99/79/64/594997964.db2.gz PCKGTSMTCYFCSE-UHFFFAOYSA-N 1 2 342.509 1.411 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000843254238 595053487 /nfs/dbraw/zinc/05/34/87/595053487.db2.gz SRKPURPLCGYGRP-HOTGVXAUSA-N 1 2 342.443 1.388 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000843255108 595053509 /nfs/dbraw/zinc/05/35/09/595053509.db2.gz UHAOGSGAXUFWMI-AWEZNQCLSA-N 1 2 328.416 1.378 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000843255108 595053512 /nfs/dbraw/zinc/05/35/12/595053512.db2.gz UHAOGSGAXUFWMI-AWEZNQCLSA-N 1 2 328.416 1.378 20 30 EDEDLO C[C@@H](O[NH+]=C(N)COC[C@@H]1CCOC1)C(=O)Nc1cccc(C#N)c1 ZINC000842661020 595163027 /nfs/dbraw/zinc/16/30/27/595163027.db2.gz DVBMXBIRCXRAGK-TZMCWYRMSA-N 1 2 346.387 1.437 20 30 EDEDLO C#CC[C@@H]1CCCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000834589744 595169580 /nfs/dbraw/zinc/16/95/80/595169580.db2.gz TUTJWHYOHAKNNN-OAHLLOKOSA-N 1 2 342.443 1.140 20 30 EDEDLO CCO[C@@H]1CC(N=Nc2ccc(-n3cc[nH+]c3)nn2)[C@H]1n1cccn1 ZINC000834975014 595244247 /nfs/dbraw/zinc/24/42/47/595244247.db2.gz VEHNXEZLBPHQMJ-CZUORRHYSA-N 1 2 338.375 1.677 20 30 EDEDLO C#CCOc1ccc(C(=O)O[C@H](COC)C[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000842972257 595251259 /nfs/dbraw/zinc/25/12/59/595251259.db2.gz UYTWQTFGZWEERS-QAPCUYQASA-N 1 2 347.411 1.591 20 30 EDEDLO C#CCOc1ccc(C(=O)O[C@H](COC)C[N@H+]2CCO[C@H](C)C2)cc1 ZINC000842972257 595251260 /nfs/dbraw/zinc/25/12/60/595251260.db2.gz UYTWQTFGZWEERS-QAPCUYQASA-N 1 2 347.411 1.591 20 30 EDEDLO C=C[C@@H](OC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(=O)OCC ZINC000842975722 595254061 /nfs/dbraw/zinc/25/40/61/595254061.db2.gz BKPXBVZHURDXTH-MRXNPFEDSA-N 1 2 333.384 1.793 20 30 EDEDLO C=C[C@H](C)ONC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000846550717 595272737 /nfs/dbraw/zinc/27/27/37/595272737.db2.gz YMQOFEWRENGJHO-LBPRGKRZSA-N 1 2 326.418 1.258 20 30 EDEDLO Cc1cc(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)n(C)n1 ZINC000844365696 595331040 /nfs/dbraw/zinc/33/10/40/595331040.db2.gz DLWFEBJPBRQUPL-HNNXBMFYSA-N 1 2 327.388 1.204 20 30 EDEDLO Cc1cc(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)n(C)n1 ZINC000844365696 595331044 /nfs/dbraw/zinc/33/10/44/595331044.db2.gz DLWFEBJPBRQUPL-HNNXBMFYSA-N 1 2 327.388 1.204 20 30 EDEDLO C=C(C)CONC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000844497505 595350506 /nfs/dbraw/zinc/35/05/06/595350506.db2.gz BOLHYAXHEIWMBG-UHFFFAOYSA-N 1 2 332.404 1.703 20 30 EDEDLO CC(=NNCCCn1cc[nH+]c1)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000848417084 595375337 /nfs/dbraw/zinc/37/53/37/595375337.db2.gz KGSUVAAFEIMAFD-UHFFFAOYSA-N 1 2 349.460 1.551 20 30 EDEDLO COCCOc1ccc(C#N)cc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867375066 595415104 /nfs/dbraw/zinc/41/51/04/595415104.db2.gz VIVHRPINMIAFJM-NSCUHMNNSA-N 1 2 345.399 1.410 20 30 EDEDLO COc1cc[nH+]cc1CNC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000845218854 595463436 /nfs/dbraw/zinc/46/34/36/595463436.db2.gz ZBXDINRXDRIKKN-MRXNPFEDSA-N 1 2 340.383 1.837 20 30 EDEDLO CCn1cc[nH+]c1CNC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000845234598 595465701 /nfs/dbraw/zinc/46/57/01/595465701.db2.gz ZXCZLAGXZAJVCZ-HNNXBMFYSA-N 1 2 327.388 1.650 20 30 EDEDLO N#Cc1ccc(F)c(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC000854909269 595528281 /nfs/dbraw/zinc/52/82/81/595528281.db2.gz VBOYOCLAVHKRCG-UHFFFAOYSA-N 1 2 347.390 1.309 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cnn(-c3ccc(F)cc3F)c2C)CC1 ZINC000112920354 595568324 /nfs/dbraw/zinc/56/83/24/595568324.db2.gz VELGJKKLRHSPOP-UHFFFAOYSA-N 1 2 344.365 1.850 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 ZINC000112920846 595568901 /nfs/dbraw/zinc/56/89/01/595568901.db2.gz HUXSRDUWUFZROJ-HZPDHXFCSA-N 1 2 342.443 1.086 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)CC1 ZINC000112921137 595570362 /nfs/dbraw/zinc/57/03/62/595570362.db2.gz DUSQZYJCYBNCGD-UHFFFAOYSA-N 1 2 326.425 1.926 20 30 EDEDLO C#CC[C@H](COC)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000860491275 595703324 /nfs/dbraw/zinc/70/33/24/595703324.db2.gz NIRNAXKVMMHKNV-MRXNPFEDSA-N 1 2 331.416 1.679 20 30 EDEDLO CC(N=Nc1ccccc1S(=O)(=O)N1CCOCC1)c1c[nH]c[nH+]1 ZINC000853314191 595733574 /nfs/dbraw/zinc/73/35/74/595733574.db2.gz QSMYURJRYIXFAV-UHFFFAOYSA-N 1 2 349.416 1.267 20 30 EDEDLO CC(C)(C)NS(=O)(=O)C1(CN=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1 ZINC000853324474 595735164 /nfs/dbraw/zinc/73/51/64/595735164.db2.gz HOYXXWJVFNVOAL-VXGBXAGGSA-N 1 2 341.481 1.083 20 30 EDEDLO O=C1Nc2cc(O)c(Cl)cc2C1=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000853324379 595735377 /nfs/dbraw/zinc/73/53/77/595735377.db2.gz DAPQWGPNYNKHLO-NXEZZACHSA-N 1 2 333.779 1.562 20 30 EDEDLO CC(C)(C)NS(=O)(=O)C1(C=[NH+]n2cc(Br)cn2)CC1 ZINC000853324500 595735960 /nfs/dbraw/zinc/73/59/60/595735960.db2.gz INDCRBBDDXJRTF-UHFFFAOYSA-N 1 2 349.254 1.730 20 30 EDEDLO C=CC[N@H+](CN1C(=O)N[C@H](Cc2ccccc2)C1=O)[C@H](C)COC ZINC000853532828 595788158 /nfs/dbraw/zinc/78/81/58/595788158.db2.gz NHHZTABCKORBOO-GDBMZVCRSA-N 1 2 331.416 1.630 20 30 EDEDLO C=CC[N@@H+](CN1C(=O)N[C@H](Cc2ccccc2)C1=O)[C@H](C)COC ZINC000853532828 595788161 /nfs/dbraw/zinc/78/81/61/595788161.db2.gz NHHZTABCKORBOO-GDBMZVCRSA-N 1 2 331.416 1.630 20 30 EDEDLO C=CC[N@H+](Cn1cc(I)cn1)[C@@H](C)COC ZINC000853533684 595789003 /nfs/dbraw/zinc/78/90/03/595789003.db2.gz AFLCDNRBHURSPE-JTQLQIEISA-N 1 2 335.189 1.968 20 30 EDEDLO C=CC[N@@H+](Cn1cc(I)cn1)[C@@H](C)COC ZINC000853533684 595789004 /nfs/dbraw/zinc/78/90/04/595789004.db2.gz AFLCDNRBHURSPE-JTQLQIEISA-N 1 2 335.189 1.968 20 30 EDEDLO C#CCC[C@H](C)OC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1[nH+]ccn1C ZINC000860825399 595809125 /nfs/dbraw/zinc/80/91/25/595809125.db2.gz HPXMUBBZSYKPNU-QEJZJMRPSA-N 1 2 333.388 1.054 20 30 EDEDLO C#CCCCOc1ccc[nH+]c1N1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000853650844 595845988 /nfs/dbraw/zinc/84/59/88/595845988.db2.gz LIRMYNAXAXCBOQ-OAHLLOKOSA-N 1 2 344.411 1.890 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)COc2cnc3c(cccc3OC)c2)CC1 ZINC000853742602 595869035 /nfs/dbraw/zinc/86/90/35/595869035.db2.gz BWIKQQUCYIKAEB-UHFFFAOYSA-N 1 2 339.395 1.400 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@H](c2ccccc2)N2CCCCC2=O)CC1 ZINC000111661490 595901637 /nfs/dbraw/zinc/90/16/37/595901637.db2.gz GINTXJAOUUOTQX-IBGZPJMESA-N 1 2 339.439 1.518 20 30 EDEDLO C#CCCOC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000858947296 595930129 /nfs/dbraw/zinc/93/01/29/595930129.db2.gz GFYREKJLEOSDJB-UHFFFAOYSA-N 1 2 331.416 1.766 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cn(C(C)C)nc2C2CCOCC2)CC1 ZINC000856637976 596041206 /nfs/dbraw/zinc/04/12/06/596041206.db2.gz RZNLSYSNSOIGDG-UHFFFAOYSA-N 1 2 344.459 1.749 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000852193418 596081349 /nfs/dbraw/zinc/08/13/49/596081349.db2.gz NSGVTWJQYJRXJC-UHFFFAOYSA-N 1 2 332.242 1.401 20 30 EDEDLO CC1(C)C[NH+]=C(N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)S1 ZINC000859489818 596109849 /nfs/dbraw/zinc/10/98/49/596109849.db2.gz OOMIKPVYVNRSHY-UHFFFAOYSA-N 1 2 343.456 1.521 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccnc(F)c1F ZINC000856915596 596110840 /nfs/dbraw/zinc/11/08/40/596110840.db2.gz PYHYTHYHTXWZNB-UHFFFAOYSA-N 1 2 339.346 1.440 20 30 EDEDLO C#CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C(=O)OC ZINC000861950852 596158871 /nfs/dbraw/zinc/15/88/71/596158871.db2.gz LSHZRONFWYQJTQ-CVEARBPZSA-N 1 2 348.830 1.986 20 30 EDEDLO C#CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C(=O)OC ZINC000861950852 596158876 /nfs/dbraw/zinc/15/88/76/596158876.db2.gz LSHZRONFWYQJTQ-CVEARBPZSA-N 1 2 348.830 1.986 20 30 EDEDLO C#CCNC(=O)CC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000852478209 596177744 /nfs/dbraw/zinc/17/77/44/596177744.db2.gz RKMGNLQOHPOXMF-NSHDSACASA-N 1 2 326.322 1.772 20 30 EDEDLO C#CCNC(=O)CC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000852478209 596177748 /nfs/dbraw/zinc/17/77/48/596177748.db2.gz RKMGNLQOHPOXMF-NSHDSACASA-N 1 2 326.322 1.772 20 30 EDEDLO N#Cc1cccc(OCC(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000854730504 596178778 /nfs/dbraw/zinc/17/87/78/596178778.db2.gz MKZNKEJWWIGIPE-INIZCTEOSA-N 1 2 329.400 1.260 20 30 EDEDLO COC(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000852569668 596199544 /nfs/dbraw/zinc/19/95/44/596199544.db2.gz HGQZIEACSXPVRI-LLVKDONJSA-N 1 2 336.392 1.725 20 30 EDEDLO COC(=O)N(C)CC[N@@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000852569668 596199545 /nfs/dbraw/zinc/19/95/45/596199545.db2.gz HGQZIEACSXPVRI-LLVKDONJSA-N 1 2 336.392 1.725 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C1 ZINC000867620286 596464986 /nfs/dbraw/zinc/46/49/86/596464986.db2.gz OJPPBZWKCXRTBY-MAUKXSAKSA-N 1 2 339.439 1.551 20 30 EDEDLO C#CC[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C1 ZINC000867620286 596464987 /nfs/dbraw/zinc/46/49/87/596464987.db2.gz OJPPBZWKCXRTBY-MAUKXSAKSA-N 1 2 339.439 1.551 20 30 EDEDLO Cc1nc(NC(=O)/C=C\C[NH+]2CCOCC2)sc1SCC#N ZINC000865090626 596470666 /nfs/dbraw/zinc/47/06/66/596470666.db2.gz MCICSDMAKBDSOL-IHWYPQMZSA-N 1 2 338.458 1.894 20 30 EDEDLO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+](CCF)C2)ccc1C#N ZINC000867713034 596510824 /nfs/dbraw/zinc/51/08/24/596510824.db2.gz LKIOBDDVLDWEIE-AWEZNQCLSA-N 1 2 325.409 1.579 20 30 EDEDLO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCF)C2)ccc1C#N ZINC000867713034 596510825 /nfs/dbraw/zinc/51/08/25/596510825.db2.gz LKIOBDDVLDWEIE-AWEZNQCLSA-N 1 2 325.409 1.579 20 30 EDEDLO N#CC1(CS(=O)(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)CC1 ZINC000867752111 596531550 /nfs/dbraw/zinc/53/15/50/596531550.db2.gz QLRIRQSLLKFCKD-CQSZACIVSA-N 1 2 332.429 1.500 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cccc(C3CCOCC3)c2)CC1 ZINC000863362039 596561872 /nfs/dbraw/zinc/56/18/72/596561872.db2.gz UDLABBFHKRGMTH-UHFFFAOYSA-N 1 2 341.455 1.770 20 30 EDEDLO CN(C)c1ccc(CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c[nH+]1 ZINC000868042558 596666221 /nfs/dbraw/zinc/66/62/21/596666221.db2.gz QUWIQEGDFSXWJZ-QGZVFWFLSA-N 1 2 335.411 1.986 20 30 EDEDLO CN(C)c1ccc(CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c[nH+]1 ZINC000868042556 596666340 /nfs/dbraw/zinc/66/63/40/596666340.db2.gz QUWIQEGDFSXWJZ-KRWDZBQOSA-N 1 2 335.411 1.986 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000865795751 596686476 /nfs/dbraw/zinc/68/64/76/596686476.db2.gz MMJYWYBZQHUDAE-IAGOWNOFSA-N 1 2 341.455 1.691 20 30 EDEDLO C#C[C@H](CC)NC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000868538381 596877229 /nfs/dbraw/zinc/87/72/29/596877229.db2.gz UKPDTWVSFIXXHX-MSOLQXFVSA-N 1 2 329.444 1.907 20 30 EDEDLO C#C[C@H](CC)NC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000868538381 596877231 /nfs/dbraw/zinc/87/72/31/596877231.db2.gz UKPDTWVSFIXXHX-MSOLQXFVSA-N 1 2 329.444 1.907 20 30 EDEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000874348026 597027406 /nfs/dbraw/zinc/02/74/06/597027406.db2.gz DGCONSBXVWEPDR-INIZCTEOSA-N 1 2 344.415 1.032 20 30 EDEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cc(C)cc(C#N)c1 ZINC000874348026 597027408 /nfs/dbraw/zinc/02/74/08/597027408.db2.gz DGCONSBXVWEPDR-INIZCTEOSA-N 1 2 344.415 1.032 20 30 EDEDLO C[C@]1(Cc2ccccc2)CCN(C[NH+]2CCN(CCC#N)CC2)C1=O ZINC000872734105 597051213 /nfs/dbraw/zinc/05/12/13/597051213.db2.gz XLYMMAFNZQYBPT-HXUWFJFHSA-N 1 2 340.471 1.956 20 30 EDEDLO N#Cc1ccc(N2CC[NH+](Cn3c4ccccc4oc3=O)CC2)cn1 ZINC000872792907 597071589 /nfs/dbraw/zinc/07/15/89/597071589.db2.gz FAWDZHXMMGJBEQ-UHFFFAOYSA-N 1 2 335.367 1.641 20 30 EDEDLO C=CCN1CCN(C[N@H+]2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)C1=O ZINC000872826796 597087772 /nfs/dbraw/zinc/08/77/72/597087772.db2.gz CIBAIRSZYRHKAZ-VXGBXAGGSA-N 1 2 349.353 1.541 20 30 EDEDLO C=CCN1CCN(C[N@@H+]2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)C1=O ZINC000872826796 597087774 /nfs/dbraw/zinc/08/77/74/597087774.db2.gz CIBAIRSZYRHKAZ-VXGBXAGGSA-N 1 2 349.353 1.541 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1C(F)(F)F ZINC000880155761 597859119 /nfs/dbraw/zinc/85/91/19/597859119.db2.gz XDOPGZOAPWTXHG-VXGBXAGGSA-N 1 2 349.353 1.422 20 30 EDEDLO CCOC(=O)[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1C(F)(F)F ZINC000880155761 597859121 /nfs/dbraw/zinc/85/91/21/597859121.db2.gz XDOPGZOAPWTXHG-VXGBXAGGSA-N 1 2 349.353 1.422 20 30 EDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)C[C@H]1COc2ccccc2O1 ZINC000884054001 597979662 /nfs/dbraw/zinc/97/96/62/597979662.db2.gz NKRHQSGVNCIONR-KBPBESRZSA-N 1 2 348.399 1.122 20 30 EDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[S@](=O)Cc2ccccc2)C1 ZINC000884154126 598009551 /nfs/dbraw/zinc/00/95/51/598009551.db2.gz ZMANUACWTGIDEO-OSPHWJPCSA-N 1 2 347.484 1.332 20 30 EDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[S@](=O)Cc2ccccc2)C1 ZINC000884154126 598009553 /nfs/dbraw/zinc/00/95/53/598009553.db2.gz ZMANUACWTGIDEO-OSPHWJPCSA-N 1 2 347.484 1.332 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000994278963 696705388 /nfs/dbraw/zinc/70/53/88/696705388.db2.gz XNOYMKBFMHMHPQ-MGPQQGTHSA-N 1 2 339.399 1.318 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccn3nnnc23)[C@H]1C ZINC000993377961 696028083 /nfs/dbraw/zinc/02/80/83/696028083.db2.gz NXLMAFKJYVKEMU-DGCLKSJQSA-N 1 2 334.811 1.460 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccn3nnnc23)[C@H]1C ZINC000993377961 696028085 /nfs/dbraw/zinc/02/80/85/696028085.db2.gz NXLMAFKJYVKEMU-DGCLKSJQSA-N 1 2 334.811 1.460 20 30 EDEDLO C#Cc1ccc(C(=O)NC2C[NH+](C[C@H](O)Cc3ccccc3)C2)nc1 ZINC001031278826 696108976 /nfs/dbraw/zinc/10/89/76/696108976.db2.gz ZNHXNFQSHJFHMN-GOSISDBHSA-N 1 2 335.407 1.081 20 30 EDEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2coc(C(N)=O)c2)[C@@H]1C ZINC000993627519 696290956 /nfs/dbraw/zinc/29/09/56/696290956.db2.gz YPAZCKKRSKANJC-JQWIXIFHSA-N 1 2 325.796 1.714 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2coc(C(N)=O)c2)[C@@H]1C ZINC000993627519 696290958 /nfs/dbraw/zinc/29/09/58/696290958.db2.gz YPAZCKKRSKANJC-JQWIXIFHSA-N 1 2 325.796 1.714 20 30 EDEDLO C=CC[N@@H+](CC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000917071350 696910466 /nfs/dbraw/zinc/91/04/66/696910466.db2.gz RLJLRMJMRPFLGY-OAHLLOKOSA-N 1 2 330.494 1.699 20 30 EDEDLO C=CC[N@H+](CC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000917071350 696910469 /nfs/dbraw/zinc/91/04/69/696910469.db2.gz RLJLRMJMRPFLGY-OAHLLOKOSA-N 1 2 330.494 1.699 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060720197 697189389 /nfs/dbraw/zinc/18/93/89/697189389.db2.gz CRPRQGVRPHHABV-IIDMSEBBSA-N 1 2 348.447 1.001 20 30 EDEDLO C#CC[C@@H](CO)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000920545010 697445085 /nfs/dbraw/zinc/44/50/85/697445085.db2.gz GCISXDRUDPBVQT-INIZCTEOSA-N 1 2 344.459 1.405 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920615724 697454112 /nfs/dbraw/zinc/45/41/12/697454112.db2.gz NPCFYVPCDUQXOX-ZDUSSCGKSA-N 1 2 337.449 1.437 20 30 EDEDLO O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)c1cnn2c1CCC2 ZINC001031717395 697750706 /nfs/dbraw/zinc/75/07/06/697750706.db2.gz QCVVGJGYLVJZKE-UHFFFAOYSA-N 1 2 334.423 1.543 20 30 EDEDLO COCc1nc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)co1 ZINC001032082616 698384804 /nfs/dbraw/zinc/38/48/04/698384804.db2.gz FUBOBMIRKYVYFM-UHFFFAOYSA-N 1 2 346.412 1.616 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000943512144 698424758 /nfs/dbraw/zinc/42/47/58/698424758.db2.gz OOUHKLAPXYEGHG-CQSZACIVSA-N 1 2 330.432 1.806 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CCCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000943517159 698431617 /nfs/dbraw/zinc/43/16/17/698431617.db2.gz ZMXUMMAXEQBJPK-CQSZACIVSA-N 1 2 330.432 1.806 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)[C@@H](C)C1 ZINC000943717777 698734969 /nfs/dbraw/zinc/73/49/69/698734969.db2.gz PUOKHYFNIHBTAX-JQWIXIFHSA-N 1 2 339.237 1.825 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ccncn2)[C@@H](C)C1 ZINC000943717777 698734972 /nfs/dbraw/zinc/73/49/72/698734972.db2.gz PUOKHYFNIHBTAX-JQWIXIFHSA-N 1 2 339.237 1.825 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2ncccn2)[C@@H](C)C1 ZINC000943738245 698806150 /nfs/dbraw/zinc/80/61/50/698806150.db2.gz MSKXZZBJFINPLA-JQWIXIFHSA-N 1 2 339.237 1.825 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2ncccn2)[C@@H](C)C1 ZINC000943738245 698806156 /nfs/dbraw/zinc/80/61/56/698806156.db2.gz MSKXZZBJFINPLA-JQWIXIFHSA-N 1 2 339.237 1.825 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3cc(Cl)cn3C)CC2)C1 ZINC000941479686 701553051 /nfs/dbraw/zinc/55/30/51/701553051.db2.gz PYUXOOVXZSNFSA-UHFFFAOYSA-N 1 2 334.851 1.144 20 30 EDEDLO Cc1nnccc1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031817153 699519112 /nfs/dbraw/zinc/51/91/12/699519112.db2.gz RIWSUTRKHCDVQS-UHFFFAOYSA-N 1 2 327.413 1.580 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c[nH]nc3C(C)(C)C)CC2)C1 ZINC000941636335 701601981 /nfs/dbraw/zinc/60/19/81/701601981.db2.gz HNZZTYAAGRUIIV-UHFFFAOYSA-N 1 2 343.475 1.173 20 30 EDEDLO C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C)o3)C2)nc1 ZINC000939558305 699693550 /nfs/dbraw/zinc/69/35/50/699693550.db2.gz ZGTBREKGGJZLDE-IAQYHMDHSA-N 1 2 325.372 1.005 20 30 EDEDLO C#Cc1ccccc1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cnsn2)C1 ZINC000939615280 699766246 /nfs/dbraw/zinc/76/62/46/699766246.db2.gz INVRMGHSLZCQMU-SUMWQHHRSA-N 1 2 340.452 1.699 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3c(C)nsc3C)CC2)C1 ZINC000941679207 701616542 /nfs/dbraw/zinc/61/65/42/701616542.db2.gz UYAABHXUQJBWRG-UHFFFAOYSA-N 1 2 332.473 1.225 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)CCc3ccccc3F)CC2)C1 ZINC000941662128 701617407 /nfs/dbraw/zinc/61/74/07/701617407.db2.gz XTBZSJZBRPVJAW-UHFFFAOYSA-N 1 2 329.419 1.220 20 30 EDEDLO COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)c2c[nH]nc2C)C1 ZINC001031888696 700645285 /nfs/dbraw/zinc/64/52/85/700645285.db2.gz MKBCQSOZGZJGMK-UHFFFAOYSA-N 1 2 339.399 1.460 20 30 EDEDLO COc1ccnc(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1 ZINC001031894060 700702290 /nfs/dbraw/zinc/70/22/90/700702290.db2.gz MKLGXZDTOIKTRG-UHFFFAOYSA-N 1 2 335.407 1.804 20 30 EDEDLO C=C1CC(C)(C(=O)N2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000940891037 700966757 /nfs/dbraw/zinc/96/67/57/700966757.db2.gz NEFRAWJVVCBWCG-UHFFFAOYSA-N 1 2 330.432 1.760 20 30 EDEDLO C=C(Cl)CN1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920441 701045635 /nfs/dbraw/zinc/04/56/35/701045635.db2.gz FSCLKSZKHCEGIR-INIZCTEOSA-N 1 2 341.883 1.430 20 30 EDEDLO C=C(Cl)CN1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920441 701045636 /nfs/dbraw/zinc/04/56/36/701045636.db2.gz FSCLKSZKHCEGIR-INIZCTEOSA-N 1 2 341.883 1.430 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)CC2(C)C)C1 ZINC000941016150 701056322 /nfs/dbraw/zinc/05/63/22/701056322.db2.gz CTIBSHJYDSKXLI-CYBMUJFWSA-N 1 2 347.463 1.181 20 30 EDEDLO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)CC2(C)C)C1 ZINC000941016150 701056323 /nfs/dbraw/zinc/05/63/23/701056323.db2.gz CTIBSHJYDSKXLI-CYBMUJFWSA-N 1 2 347.463 1.181 20 30 EDEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941067303 701115197 /nfs/dbraw/zinc/11/51/97/701115197.db2.gz AGQFCIFRIIQIIJ-LSDHHAIUSA-N 1 2 340.489 1.051 20 30 EDEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCS(=O)(=O)C2)C(C)(C)C1 ZINC000941067303 701115203 /nfs/dbraw/zinc/11/52/03/701115203.db2.gz AGQFCIFRIIQIIJ-LSDHHAIUSA-N 1 2 340.489 1.051 20 30 EDEDLO C=CCOc1ccccc1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2)C1 ZINC000995121996 701151754 /nfs/dbraw/zinc/15/17/54/701151754.db2.gz QLIYFKGDADCACS-UHFFFAOYSA-N 1 2 340.383 1.089 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](NC(=O)c2nonc2C)[C@H](C)C1 ZINC000945944841 701303713 /nfs/dbraw/zinc/30/37/13/701303713.db2.gz VKTHYRIIQBPQJD-KCJUWKMLSA-N 1 2 343.225 1.727 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](NC(=O)c2nonc2C)[C@H](C)C1 ZINC000945944841 701303714 /nfs/dbraw/zinc/30/37/14/701303714.db2.gz VKTHYRIIQBPQJD-KCJUWKMLSA-N 1 2 343.225 1.727 20 30 EDEDLO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)CCn2cc[nH+]c2)C1 ZINC000946002464 701354432 /nfs/dbraw/zinc/35/44/32/701354432.db2.gz RSQXOEMPFPEOBC-JKSUJKDBSA-N 1 2 344.459 1.935 20 30 EDEDLO C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000941229526 701418203 /nfs/dbraw/zinc/41/82/03/701418203.db2.gz XMHRRXFUUNMODJ-LSDHHAIUSA-N 1 2 344.459 1.765 20 30 EDEDLO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC000941272498 701445738 /nfs/dbraw/zinc/44/57/38/701445738.db2.gz WSJDWKJARQETBE-BEFAXECRSA-N 1 2 345.443 1.952 20 30 EDEDLO O=C(C#CC1CC1)N1CCN(C2C[NH+](Cc3ccc(F)cc3)C2)CC1 ZINC000941404315 701518739 /nfs/dbraw/zinc/51/87/39/701518739.db2.gz ZGPHQLFFTQPVAC-UHFFFAOYSA-N 1 2 341.430 1.568 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4cccnc4n3)CC2)C1 ZINC000941417320 701530850 /nfs/dbraw/zinc/53/08/50/701530850.db2.gz ZZJYQYMLQWTWQZ-UHFFFAOYSA-N 1 2 349.438 1.095 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C(C)C)nc3)CC2)C1 ZINC000941436670 701540018 /nfs/dbraw/zinc/54/00/18/701540018.db2.gz AKSNQHYLGYBPPQ-UHFFFAOYSA-N 1 2 326.444 1.280 20 30 EDEDLO CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]3C(F)F)CC2)C1 ZINC000941437207 701540396 /nfs/dbraw/zinc/54/03/96/701540396.db2.gz VRBSDBOLHGXZFE-CVEARBPZSA-N 1 2 339.430 1.520 20 30 EDEDLO C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)c3c(C)noc3C)CC2)C1 ZINC000941462820 701545017 /nfs/dbraw/zinc/54/50/17/701545017.db2.gz GQBZNQDVYJFFLJ-CQSZACIVSA-N 1 2 344.459 1.247 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000944329490 701741358 /nfs/dbraw/zinc/74/13/58/701741358.db2.gz UYVUYYHSQJQQIZ-VYDXJSESSA-N 1 2 346.431 1.041 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C#N)C1 ZINC001031987422 702418625 /nfs/dbraw/zinc/41/86/25/702418625.db2.gz NCFHCFPOIDVWLC-MSOLQXFVSA-N 1 2 325.412 1.697 20 30 EDEDLO Cc1c[nH]c(C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3F)C2)n1 ZINC001032040811 703158787 /nfs/dbraw/zinc/15/87/87/703158787.db2.gz VIEQUVZYYMWTAI-UHFFFAOYSA-N 1 2 327.363 1.591 20 30 EDEDLO C=CCCn1cc(C(=O)NCC2C[NH+](Cc3cncs3)C2)nn1 ZINC001032042221 703195610 /nfs/dbraw/zinc/19/56/10/703195610.db2.gz UMVOCDXZWGPEAF-UHFFFAOYSA-N 1 2 332.433 1.173 20 30 EDEDLO Cn1cc(-c2cc(CO[NH+]=C(N)c3ccc4c(c3)CCO4)on2)cn1 ZINC000184440760 703215782 /nfs/dbraw/zinc/21/57/82/703215782.db2.gz AAMQMWIWFDZNSS-UHFFFAOYSA-N 1 2 339.355 1.847 20 30 EDEDLO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2cncnc2)c1 ZINC001032377394 703338493 /nfs/dbraw/zinc/33/84/93/703338493.db2.gz XNZRADDHUPYABN-ROUUACIJSA-N 1 2 333.395 1.376 20 30 EDEDLO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2cncnc2)c1 ZINC001032377394 703338494 /nfs/dbraw/zinc/33/84/94/703338494.db2.gz XNZRADDHUPYABN-ROUUACIJSA-N 1 2 333.395 1.376 20 30 EDEDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[C@@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001060811737 703458903 /nfs/dbraw/zinc/45/89/03/703458903.db2.gz DZSNLCXEPVHEFV-LXTVHRRPSA-N 1 2 345.447 1.539 20 30 EDEDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC[C@@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001060811737 703458905 /nfs/dbraw/zinc/45/89/05/703458905.db2.gz DZSNLCXEPVHEFV-LXTVHRRPSA-N 1 2 345.447 1.539 20 30 EDEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)N(C)CCO2 ZINC001032474980 703695044 /nfs/dbraw/zinc/69/50/44/703695044.db2.gz CWHZAFWRLDMTON-HOTGVXAUSA-N 1 2 325.412 1.437 20 30 EDEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)N(C)CCO2 ZINC001032474980 703695045 /nfs/dbraw/zinc/69/50/45/703695045.db2.gz CWHZAFWRLDMTON-HOTGVXAUSA-N 1 2 325.412 1.437 20 30 EDEDLO C=CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H](CC)C(N)=O)cc1 ZINC001032483410 703733266 /nfs/dbraw/zinc/73/32/66/703733266.db2.gz CKHDAILVXKLJKC-YQQAZPJKSA-N 1 2 343.427 1.414 20 30 EDEDLO C=CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H](CC)C(N)=O)cc1 ZINC001032483410 703733267 /nfs/dbraw/zinc/73/32/67/703733267.db2.gz CKHDAILVXKLJKC-YQQAZPJKSA-N 1 2 343.427 1.414 20 30 EDEDLO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]Cc2nc(C(F)F)no2)C(C)(C)C1 ZINC000995587488 704551914 /nfs/dbraw/zinc/55/19/14/704551914.db2.gz ZJCAIEAPLFNBOB-RKDXNWHRSA-N 1 2 327.335 1.493 20 30 EDEDLO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC1(C)C)c1csnn1 ZINC000995638848 704641607 /nfs/dbraw/zinc/64/16/07/704641607.db2.gz RYTSAZLPSUGYHO-QMTHXVAHSA-N 1 2 344.444 1.939 20 30 EDEDLO CCc1cc(C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)nn1C ZINC001032228552 704903034 /nfs/dbraw/zinc/90/30/34/704903034.db2.gz OOWKOGQOQJBALB-UHFFFAOYSA-N 1 2 343.456 1.777 20 30 EDEDLO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(F)(F)F)s2)C1 ZINC000998757199 706192087 /nfs/dbraw/zinc/19/20/87/706192087.db2.gz WIWJHGRNLFNWNS-BDAKNGLRSA-N 1 2 347.366 1.797 20 30 EDEDLO C=C(Br)C[NH+]1CCC(N(C)C(=O)c2cnccn2)CC1 ZINC001005058077 707236363 /nfs/dbraw/zinc/23/63/63/707236363.db2.gz LGCBPZGQTGKFOQ-UHFFFAOYSA-N 1 2 339.237 1.922 20 30 EDEDLO CN(C(=O)c1cnon1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033527692 708145728 /nfs/dbraw/zinc/14/57/28/708145728.db2.gz QMKYXFPYPYZINH-CYBMUJFWSA-N 1 2 329.335 1.427 20 30 EDEDLO CN(C(=O)c1cnon1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033527692 708145730 /nfs/dbraw/zinc/14/57/30/708145730.db2.gz QMKYXFPYPYZINH-CYBMUJFWSA-N 1 2 329.335 1.427 20 30 EDEDLO C=C(C)CCC(=O)N1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001061025114 708314410 /nfs/dbraw/zinc/31/44/10/708314410.db2.gz PEBVNMYRKUPYHH-UHFFFAOYSA-N 1 2 330.432 1.760 20 30 EDEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033617589 708345596 /nfs/dbraw/zinc/34/55/96/708345596.db2.gz WHHGSUBYSLDQKM-IBGZPJMESA-N 1 2 336.439 1.677 20 30 EDEDLO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033617589 708345600 /nfs/dbraw/zinc/34/56/00/708345600.db2.gz WHHGSUBYSLDQKM-IBGZPJMESA-N 1 2 336.439 1.677 20 30 EDEDLO N#Cc1ccc(N2CC[C@@H](CNC(=O)c3cccc4[nH+]ccn43)C2)nn1 ZINC001061681271 708444489 /nfs/dbraw/zinc/44/44/89/708444489.db2.gz WCGIJHKYOFTJEZ-ZDUSSCGKSA-N 1 2 347.382 1.252 20 30 EDEDLO C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2OCC)CC1 ZINC001002394682 708903273 /nfs/dbraw/zinc/90/32/73/708903273.db2.gz CMHJSRSZQHIKMI-STQMWFEESA-N 1 2 331.254 1.901 20 30 EDEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001061086554 708933351 /nfs/dbraw/zinc/93/33/51/708933351.db2.gz NBZCXWCTGJNADV-JKSUJKDBSA-N 1 2 344.459 1.792 20 30 EDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H](Nc2cnc(C#N)cn2)C1 ZINC001061094592 709030059 /nfs/dbraw/zinc/03/00/59/709030059.db2.gz GHMUIOIVOUVXSP-STQMWFEESA-N 1 2 339.403 1.164 20 30 EDEDLO Cc1cc(N[C@H]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c(C#N)cn1 ZINC001061094648 709030591 /nfs/dbraw/zinc/03/05/91/709030591.db2.gz HAIBTJNNJJADIM-JKSUJKDBSA-N 1 2 338.415 1.420 20 30 EDEDLO C#CCCCCC(=O)N1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001061099876 709066489 /nfs/dbraw/zinc/06/64/89/709066489.db2.gz UWKONZHVIVTWDI-UHFFFAOYSA-N 1 2 342.443 1.597 20 30 EDEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001033945487 709153350 /nfs/dbraw/zinc/15/33/50/709153350.db2.gz MJZBPRZURLLRPO-OAHLLOKOSA-N 1 2 347.463 1.278 20 30 EDEDLO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001033945487 709153353 /nfs/dbraw/zinc/15/33/53/709153353.db2.gz MJZBPRZURLLRPO-OAHLLOKOSA-N 1 2 347.463 1.278 20 30 EDEDLO Cc1ccnc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034165960 709439842 /nfs/dbraw/zinc/43/98/42/709439842.db2.gz YMCVZZBOYDPGRA-OAHLLOKOSA-N 1 2 338.415 1.769 20 30 EDEDLO Cc1ccnc(C[N@H+]2CCCC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 ZINC001034165960 709439845 /nfs/dbraw/zinc/43/98/45/709439845.db2.gz YMCVZZBOYDPGRA-OAHLLOKOSA-N 1 2 338.415 1.769 20 30 EDEDLO CCn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171532 709486064 /nfs/dbraw/zinc/48/60/64/709486064.db2.gz SQZMTEXBYQRRPA-CQSZACIVSA-N 1 2 341.419 1.282 20 30 EDEDLO CCn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001034171532 709486066 /nfs/dbraw/zinc/48/60/66/709486066.db2.gz SQZMTEXBYQRRPA-CQSZACIVSA-N 1 2 341.419 1.282 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034211451 709562353 /nfs/dbraw/zinc/56/23/53/709562353.db2.gz AGNQQDCMUPITSO-NXHRZFHOSA-N 1 2 346.475 1.872 20 30 EDEDLO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034211451 709562354 /nfs/dbraw/zinc/56/23/54/709562354.db2.gz AGNQQDCMUPITSO-NXHRZFHOSA-N 1 2 346.475 1.872 20 30 EDEDLO Cc1ccc(C#N)c(N(C)[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001061217279 709753300 /nfs/dbraw/zinc/75/33/00/709753300.db2.gz HNXADPHRYZSVCC-MRXNPFEDSA-N 1 2 338.415 1.586 20 30 EDEDLO Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](N(C)c2ncccc2C#N)C1 ZINC001061221214 709789329 /nfs/dbraw/zinc/78/93/29/709789329.db2.gz WGONSEGYSOZINE-OAHLLOKOSA-N 1 2 338.415 1.655 20 30 EDEDLO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001034339130 709800514 /nfs/dbraw/zinc/80/05/14/709800514.db2.gz CZPPFQQOJSMMNY-ZDUSSCGKSA-N 1 2 334.811 1.461 20 30 EDEDLO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001034339130 709800519 /nfs/dbraw/zinc/80/05/19/709800519.db2.gz CZPPFQQOJSMMNY-ZDUSSCGKSA-N 1 2 334.811 1.461 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001034409716 709926385 /nfs/dbraw/zinc/92/63/85/709926385.db2.gz WZLIRAUEOBMOQQ-NXHRZFHOSA-N 1 2 346.475 1.965 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccn(CC)n2)C1 ZINC001034409716 709926387 /nfs/dbraw/zinc/92/63/87/709926387.db2.gz WZLIRAUEOBMOQQ-NXHRZFHOSA-N 1 2 346.475 1.965 20 30 EDEDLO Cc1ccc(C#N)c(N(C)[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001061272315 710392038 /nfs/dbraw/zinc/39/20/38/710392038.db2.gz XIMWFXWUUNSWPF-INIZCTEOSA-N 1 2 338.415 1.655 20 30 EDEDLO C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCCO2)C1 ZINC001032916318 710733431 /nfs/dbraw/zinc/73/34/31/710733431.db2.gz AZODELUSBVKBOW-QWHCGFSZSA-N 1 2 331.254 1.997 20 30 EDEDLO C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCCO2)C1 ZINC001032916318 710733436 /nfs/dbraw/zinc/73/34/36/710733436.db2.gz AZODELUSBVKBOW-QWHCGFSZSA-N 1 2 331.254 1.997 20 30 EDEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)c2cn(C(C)C)cn2)C1=O ZINC001038558285 710770331 /nfs/dbraw/zinc/77/03/31/710770331.db2.gz ZZXOVUVQTHYKOX-ZBFHGGJFSA-N 1 2 345.447 1.055 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)c2cn(C(C)C)cn2)C1=O ZINC001038558285 710770335 /nfs/dbraw/zinc/77/03/35/710770335.db2.gz ZZXOVUVQTHYKOX-ZBFHGGJFSA-N 1 2 345.447 1.055 20 30 EDEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001032988097 711123523 /nfs/dbraw/zinc/12/35/23/711123523.db2.gz XYDQJGDODGICBT-INIZCTEOSA-N 1 2 338.415 1.376 20 30 EDEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001032988097 711123525 /nfs/dbraw/zinc/12/35/25/711123525.db2.gz XYDQJGDODGICBT-INIZCTEOSA-N 1 2 338.415 1.376 20 30 EDEDLO C#Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)c3nc(C)no3)CC2)cn1 ZINC001003985670 711190022 /nfs/dbraw/zinc/19/00/22/711190022.db2.gz KUULJCWFRGWZRE-LBPRGKRZSA-N 1 2 339.399 1.710 20 30 EDEDLO CN(C(=O)c1cn(C)cn1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033008741 711228060 /nfs/dbraw/zinc/22/80/60/711228060.db2.gz IRALWBSBLWYONE-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO CN(C(=O)c1cn(C)cn1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033008741 711228064 /nfs/dbraw/zinc/22/80/64/711228064.db2.gz IRALWBSBLWYONE-HNNXBMFYSA-N 1 2 341.390 1.777 20 30 EDEDLO CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)o1 ZINC001034912148 711340924 /nfs/dbraw/zinc/34/09/24/711340924.db2.gz SPOIAZMYNHKVSI-CYBMUJFWSA-N 1 2 328.376 1.226 20 30 EDEDLO CCc1nnsc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001004474796 711851314 /nfs/dbraw/zinc/85/13/14/711851314.db2.gz FDKBYIBNGLTIPR-CQSZACIVSA-N 1 2 333.461 1.941 20 30 EDEDLO CCc1nnsc1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#N)CC1 ZINC001004474796 711851315 /nfs/dbraw/zinc/85/13/15/711851315.db2.gz FDKBYIBNGLTIPR-CQSZACIVSA-N 1 2 333.461 1.941 20 30 EDEDLO C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001033129460 711880970 /nfs/dbraw/zinc/88/09/70/711880970.db2.gz ZUFULIFZCPROKR-CQSZACIVSA-N 1 2 346.822 1.561 20 30 EDEDLO C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(-c3cccnc3)nn2)C1 ZINC001033129460 711880972 /nfs/dbraw/zinc/88/09/72/711880972.db2.gz ZUFULIFZCPROKR-CQSZACIVSA-N 1 2 346.822 1.561 20 30 EDEDLO COc1cccc(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)n1 ZINC001004593496 712031942 /nfs/dbraw/zinc/03/19/42/712031942.db2.gz UHTDSNSWTMKWEA-INIZCTEOSA-N 1 2 328.416 1.930 20 30 EDEDLO COc1cccc(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)n1 ZINC001004593496 712031944 /nfs/dbraw/zinc/03/19/44/712031944.db2.gz UHTDSNSWTMKWEA-INIZCTEOSA-N 1 2 328.416 1.930 20 30 EDEDLO CC(=O)N1CC[C@](C)(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004596591 712037902 /nfs/dbraw/zinc/03/79/02/712037902.db2.gz NKXZIJULPMEHNM-HKUYNNGSSA-N 1 2 346.475 1.471 20 30 EDEDLO CC(=O)N1CC[C@](C)(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004596591 712037903 /nfs/dbraw/zinc/03/79/03/712037903.db2.gz NKXZIJULPMEHNM-HKUYNNGSSA-N 1 2 346.475 1.471 20 30 EDEDLO N#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC001004614315 712049003 /nfs/dbraw/zinc/04/90/03/712049003.db2.gz ADXROICJXPPMKH-YJBOKZPZSA-N 1 2 341.459 1.741 20 30 EDEDLO N#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC001004614315 712049004 /nfs/dbraw/zinc/04/90/04/712049004.db2.gz ADXROICJXPPMKH-YJBOKZPZSA-N 1 2 341.459 1.741 20 30 EDEDLO CCC(=O)N1CC[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3CC#N)CC2)C1 ZINC001004604131 712053576 /nfs/dbraw/zinc/05/35/76/712053576.db2.gz UVSCYPMGKCIAAD-IAGOWNOFSA-N 1 2 346.475 1.471 20 30 EDEDLO CCC(=O)N1CC[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3CC#N)CC2)C1 ZINC001004604131 712053578 /nfs/dbraw/zinc/05/35/78/712053578.db2.gz UVSCYPMGKCIAAD-IAGOWNOFSA-N 1 2 346.475 1.471 20 30 EDEDLO C[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1)N1CCCCC1=O ZINC001004619488 712080191 /nfs/dbraw/zinc/08/01/91/712080191.db2.gz KVQOOTUWPABTLR-RDJZCZTQSA-N 1 2 346.475 1.614 20 30 EDEDLO C[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1)N1CCCCC1=O ZINC001004619488 712080193 /nfs/dbraw/zinc/08/01/93/712080193.db2.gz KVQOOTUWPABTLR-RDJZCZTQSA-N 1 2 346.475 1.614 20 30 EDEDLO C=C(C)C[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001061542788 712307114 /nfs/dbraw/zinc/30/71/14/712307114.db2.gz MVTGOJSXEULVNN-LSDHHAIUSA-N 1 2 348.447 1.288 20 30 EDEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000559230686 306251895 /nfs/dbraw/zinc/25/18/95/306251895.db2.gz ABFYSXQSZPJIDV-HNNXBMFYSA-N 1 2 327.432 1.476 20 30 EDEDLO Cc1cc(C)n(CC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)n1 ZINC000328915802 539377573 /nfs/dbraw/zinc/37/75/73/539377573.db2.gz JWVDZBFTZSQTLE-UHFFFAOYSA-N 1 2 347.463 1.401 20 30 EDEDLO C[N@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356062894 282346875 /nfs/dbraw/zinc/34/68/75/282346875.db2.gz WFVIYSNAKCOAJD-UHFFFAOYSA-N 1 2 341.333 1.868 20 30 EDEDLO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356062894 282346880 /nfs/dbraw/zinc/34/68/80/282346880.db2.gz WFVIYSNAKCOAJD-UHFFFAOYSA-N 1 2 341.333 1.868 20 30 EDEDLO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N1CC[C@]2(CCOC2)C1 ZINC000329780466 539463752 /nfs/dbraw/zinc/46/37/52/539463752.db2.gz RXDULXMDPPOINX-SFHVURJKSA-N 1 2 346.431 1.445 20 30 EDEDLO COc1c(N)[nH+]cnc1N1CCN(c2snc(C)c2C#N)CC1 ZINC000563425640 306332344 /nfs/dbraw/zinc/33/23/44/306332344.db2.gz PNQPSRKEFIFCTR-UHFFFAOYSA-N 1 2 331.405 1.031 20 30 EDEDLO COc1c(N)nc[nH+]c1N1CCN(c2snc(C)c2C#N)CC1 ZINC000563425640 306332345 /nfs/dbraw/zinc/33/23/45/306332345.db2.gz PNQPSRKEFIFCTR-UHFFFAOYSA-N 1 2 331.405 1.031 20 30 EDEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000042950163 138109811 /nfs/dbraw/zinc/10/98/11/138109811.db2.gz MIDLCFJPTJYRND-UHFFFAOYSA-N 1 2 330.432 1.812 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000115005121 138311106 /nfs/dbraw/zinc/31/11/06/138311106.db2.gz CIPYHOBJHCFBMS-GOSISDBHSA-N 1 2 336.395 1.584 20 30 EDEDLO N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000115005121 138311107 /nfs/dbraw/zinc/31/11/07/138311107.db2.gz CIPYHOBJHCFBMS-GOSISDBHSA-N 1 2 336.395 1.584 20 30 EDEDLO CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)CC(=O)N(C)C ZINC000177041310 138720370 /nfs/dbraw/zinc/72/03/70/138720370.db2.gz RDMDQSATRUDJAC-UHFFFAOYSA-N 1 2 336.461 1.975 20 30 EDEDLO CCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)CC(=O)N(C)C ZINC000177041310 138720371 /nfs/dbraw/zinc/72/03/71/138720371.db2.gz RDMDQSATRUDJAC-UHFFFAOYSA-N 1 2 336.461 1.975 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2[nH]ccc2c1 ZINC000107580147 237096466 /nfs/dbraw/zinc/09/64/66/237096466.db2.gz ZMIWCDSOBYCVAU-UHFFFAOYSA-N 1 2 326.400 1.856 20 30 EDEDLO NC(CN1CCOCC1)=[NH+]OCc1ccc(Br)cc1 ZINC000111181614 237111602 /nfs/dbraw/zinc/11/16/02/237111602.db2.gz MLCLVMVAUPGPKH-UHFFFAOYSA-N 1 2 328.210 1.570 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000037845986 213170103 /nfs/dbraw/zinc/17/01/03/213170103.db2.gz OKODLKFSOJSEKO-UHFFFAOYSA-N 1 2 325.181 1.979 20 30 EDEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cccc(F)c2F)c1=O ZINC000565578084 306386676 /nfs/dbraw/zinc/38/66/76/306386676.db2.gz YXPSYQPELISUNT-UHFFFAOYSA-N 1 2 345.349 1.879 20 30 EDEDLO C[C@H]1CN(c2ccc(CNC(=O)c3ccnc(C#N)c3)c[nH+]2)CCO1 ZINC000192712744 138951915 /nfs/dbraw/zinc/95/19/15/138951915.db2.gz UQDCMYNSYUEENQ-ZDUSSCGKSA-N 1 2 337.383 1.503 20 30 EDEDLO COC[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000245535211 139078373 /nfs/dbraw/zinc/07/83/73/139078373.db2.gz WJUPNEBFBWMQJI-IRXDYDNUSA-N 1 2 329.400 1.401 20 30 EDEDLO COC[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000245535211 139078374 /nfs/dbraw/zinc/07/83/74/139078374.db2.gz WJUPNEBFBWMQJI-IRXDYDNUSA-N 1 2 329.400 1.401 20 30 EDEDLO C[C@H](C(=O)NC1(C#N)CCC1)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000346249077 250042734 /nfs/dbraw/zinc/04/27/34/250042734.db2.gz QHLRNXIBVMLBMQ-LLVKDONJSA-N 1 2 343.353 1.828 20 30 EDEDLO N#C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOC1 ZINC000358440807 250133409 /nfs/dbraw/zinc/13/34/09/250133409.db2.gz HGYPVKFABDCLSQ-HNNXBMFYSA-N 1 2 327.300 1.193 20 30 EDEDLO C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000359376439 250152631 /nfs/dbraw/zinc/15/26/31/250152631.db2.gz VKRFMUZTFXSACC-CQSZACIVSA-N 1 2 344.459 1.812 20 30 EDEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)CC1(C#N)CC1 ZINC000361504457 250175761 /nfs/dbraw/zinc/17/57/61/250175761.db2.gz AHMNUWWTKATXIY-UHFFFAOYSA-N 1 2 336.339 1.511 20 30 EDEDLO C=CC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)c1ccccc1 ZINC000372362792 250218790 /nfs/dbraw/zinc/21/87/90/250218790.db2.gz ZYPXZCXSKBEHQI-GOSISDBHSA-N 1 2 343.471 1.969 20 30 EDEDLO C=CC[C@@H](C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)c1ccccc1 ZINC000372362792 250218795 /nfs/dbraw/zinc/21/87/95/250218795.db2.gz ZYPXZCXSKBEHQI-GOSISDBHSA-N 1 2 343.471 1.969 20 30 EDEDLO C=CCCC(=O)N1CC[NH+]([C@H]2CCCN(C3CCOCC3)C2=O)CC1 ZINC000374805172 250272390 /nfs/dbraw/zinc/27/23/90/250272390.db2.gz HGHQPNGWRARCAM-KRWDZBQOSA-N 1 2 349.475 1.267 20 30 EDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(OC)ccc2Cl)CC1 ZINC000112361845 220312308 /nfs/dbraw/zinc/31/23/08/220312308.db2.gz USFIRNOCBXOTFN-UHFFFAOYSA-N 1 2 342.848 1.678 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488745569 255052112 /nfs/dbraw/zinc/05/21/12/255052112.db2.gz LLJFPJVOSJQAQT-SJORKVTESA-N 1 2 348.491 1.653 20 30 EDEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488745569 255052113 /nfs/dbraw/zinc/05/21/13/255052113.db2.gz LLJFPJVOSJQAQT-SJORKVTESA-N 1 2 348.491 1.653 20 30 EDEDLO C#CCOc1ccc(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000296452494 533188431 /nfs/dbraw/zinc/18/84/31/533188431.db2.gz YKKPPHQYTRWJFZ-UHFFFAOYSA-N 1 2 345.443 1.609 20 30 EDEDLO Cc1ncc(S(=O)(=O)NCc2[nH+]ccn2CC(C)C)cc1C#N ZINC000489694256 255071148 /nfs/dbraw/zinc/07/11/48/255071148.db2.gz AFMYWUJTVRCBHJ-UHFFFAOYSA-N 1 2 333.417 1.593 20 30 EDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490406996 255087137 /nfs/dbraw/zinc/08/71/37/255087137.db2.gz IIJYBJSPXATUGX-JTQLQIEISA-N 1 2 331.763 1.552 20 30 EDEDLO C#CCNC(=O)c1ccc(N2CCN(c3c[nH+]ccc3C)CC2)nc1 ZINC000490933658 255110335 /nfs/dbraw/zinc/11/03/35/255110335.db2.gz FTPIXLLVEWYOOF-UHFFFAOYSA-N 1 2 335.411 1.475 20 30 EDEDLO C#CCn1ccc(CN(CCOC)Cc2c[nH+]c3ccc(C#N)cn23)n1 ZINC000491786492 255147403 /nfs/dbraw/zinc/14/74/03/255147403.db2.gz OZTCJLIINKDBIP-UHFFFAOYSA-N 1 2 348.410 1.684 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CSCCC(=O)OC(C)(C)C)CC1 ZINC000491786243 255147591 /nfs/dbraw/zinc/14/75/91/255147591.db2.gz VRZQLVUCRAEWRE-UHFFFAOYSA-N 1 2 326.462 1.229 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CSCC(=O)Nc2ccccc2)CC1 ZINC000491815070 255149470 /nfs/dbraw/zinc/14/94/70/255149470.db2.gz UBBWMLPJKUYAKM-UHFFFAOYSA-N 1 2 331.441 1.136 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000495751476 255320595 /nfs/dbraw/zinc/32/05/95/255320595.db2.gz ZPGZUIVBQYWLOH-PBHICJAKSA-N 1 2 338.452 1.594 20 30 EDEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000495751476 255320596 /nfs/dbraw/zinc/32/05/96/255320596.db2.gz ZPGZUIVBQYWLOH-PBHICJAKSA-N 1 2 338.452 1.594 20 30 EDEDLO C=CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000119636833 221365359 /nfs/dbraw/zinc/36/53/59/221365359.db2.gz LDYLGOWYOPNGTB-CYBMUJFWSA-N 1 2 348.403 1.176 20 30 EDEDLO C=CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000119636833 221365363 /nfs/dbraw/zinc/36/53/63/221365363.db2.gz LDYLGOWYOPNGTB-CYBMUJFWSA-N 1 2 348.403 1.176 20 30 EDEDLO Cc1ccn2cc(CNC(=O)C(=O)NCc3cccc(C#N)c3)[nH+]c2c1 ZINC000340156017 142286084 /nfs/dbraw/zinc/28/60/84/142286084.db2.gz WQLBEWGGUSTOIJ-UHFFFAOYSA-N 1 2 347.378 1.447 20 30 EDEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1C ZINC000345482836 143096562 /nfs/dbraw/zinc/09/65/62/143096562.db2.gz FVXFGSNQXKCJAP-RYUDHWBXSA-N 1 2 325.409 1.801 20 30 EDEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1C ZINC000345482836 143096563 /nfs/dbraw/zinc/09/65/63/143096563.db2.gz FVXFGSNQXKCJAP-RYUDHWBXSA-N 1 2 325.409 1.801 20 30 EDEDLO N#Cc1csc(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)n1 ZINC000352806618 149174533 /nfs/dbraw/zinc/17/45/33/149174533.db2.gz ZVKKCNWXUHJDPH-ZDUSSCGKSA-N 1 2 342.424 1.784 20 30 EDEDLO COCCNC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1nc(C#N)cs1 ZINC000352808977 149175079 /nfs/dbraw/zinc/17/50/79/149175079.db2.gz DWEPOJXPJGQOIF-OAHLLOKOSA-N 1 2 344.440 1.478 20 30 EDEDLO N#Cc1cccc(N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)n1 ZINC000355119839 150125057 /nfs/dbraw/zinc/12/50/57/150125057.db2.gz DEJQHJODQIJXFT-DEOSSOPVSA-N 1 2 340.452 1.883 20 30 EDEDLO CC[C@H]1C[N@H+](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCO1 ZINC000355562626 150315384 /nfs/dbraw/zinc/31/53/84/150315384.db2.gz ZSLDYZHGQPQDQK-KRWDZBQOSA-N 1 2 345.418 1.956 20 30 EDEDLO CC[C@H]1C[N@@H+](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCO1 ZINC000355562626 150315386 /nfs/dbraw/zinc/31/53/86/150315386.db2.gz ZSLDYZHGQPQDQK-KRWDZBQOSA-N 1 2 345.418 1.956 20 30 EDEDLO CC[C@@H]1C[N@H+](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCO1 ZINC000355562628 150315500 /nfs/dbraw/zinc/31/55/00/150315500.db2.gz ZSLDYZHGQPQDQK-QGZVFWFLSA-N 1 2 345.418 1.956 20 30 EDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCO1 ZINC000355562628 150315503 /nfs/dbraw/zinc/31/55/03/150315503.db2.gz ZSLDYZHGQPQDQK-QGZVFWFLSA-N 1 2 345.418 1.956 20 30 EDEDLO Cn1ncc2c1nc[nH+]c2SCC(=O)NCc1cccc(C#N)c1 ZINC000358178109 151296370 /nfs/dbraw/zinc/29/63/70/151296370.db2.gz VJTAUPGFSNLBNF-UHFFFAOYSA-N 1 2 338.396 1.643 20 30 EDEDLO N#Cc1ccc(Cn2cnc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)n2)cc1 ZINC000364431187 153235153 /nfs/dbraw/zinc/23/51/53/153235153.db2.gz RXAUFHYWPHMDIH-OAHLLOKOSA-N 1 2 347.382 1.596 20 30 EDEDLO C[NH+]1CCN(C[C@H]2CCCN(c3ccc([N+](=O)[O-])cc3C#N)C2)CC1 ZINC000364657808 153295611 /nfs/dbraw/zinc/29/56/11/153295611.db2.gz RMPBPJMXIRTCOY-OAHLLOKOSA-N 1 2 343.431 1.930 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159086962 225144558 /nfs/dbraw/zinc/14/45/58/225144558.db2.gz CJVKTBPADPSVEU-DNVCBOLYSA-N 1 2 327.428 1.921 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159086962 225144562 /nfs/dbraw/zinc/14/45/62/225144562.db2.gz CJVKTBPADPSVEU-DNVCBOLYSA-N 1 2 327.428 1.921 20 30 EDEDLO N#Cc1cc(F)c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000124139311 222380080 /nfs/dbraw/zinc/38/00/80/222380080.db2.gz FDRJLYCQGQOYKG-UHFFFAOYSA-N 1 2 341.383 1.742 20 30 EDEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000295218925 270010986 /nfs/dbraw/zinc/01/09/86/270010986.db2.gz AVJWPLMUXSTJGO-NSHDSACASA-N 1 2 343.399 1.941 20 30 EDEDLO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])c(C#N)n3)CC2)cc[nH+]1 ZINC000302686365 270011449 /nfs/dbraw/zinc/01/14/49/270011449.db2.gz BETNRHDJPQAFMF-UHFFFAOYSA-N 1 2 325.332 1.287 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CC[C@H]4CC[C@@H](C3)S4(=O)=O)n2c1 ZINC000529677704 270015563 /nfs/dbraw/zinc/01/55/63/270015563.db2.gz VLSORKHEWZKEPH-CABCVRRESA-N 1 2 330.413 1.357 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])c(C#N)n3)CC2)S1 ZINC000302749253 267069422 /nfs/dbraw/zinc/06/94/22/267069422.db2.gz UQBDRMUEPYFJPU-SNVBAGLBSA-N 1 2 332.389 1.475 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1CC(=O)Nc1cccc(C#N)c1 ZINC000289677989 267108504 /nfs/dbraw/zinc/10/85/04/267108504.db2.gz GFWQRUKYLZPCFZ-RHSMWYFYSA-N 1 2 328.416 1.292 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000290813212 267109256 /nfs/dbraw/zinc/10/92/56/267109256.db2.gz FKBXJTOQGJICCB-IAQYHMDHSA-N 1 2 335.354 1.772 20 30 EDEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000290117016 267111492 /nfs/dbraw/zinc/11/14/92/267111492.db2.gz GKEPGKADIZBLBU-RHSMWYFYSA-N 1 2 349.456 1.183 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000346691782 267142864 /nfs/dbraw/zinc/14/28/64/267142864.db2.gz WHSVDSQTFFVHSA-UJDVCPFMSA-N 1 2 326.400 1.471 20 30 EDEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000346691782 267142868 /nfs/dbraw/zinc/14/28/68/267142868.db2.gz WHSVDSQTFFVHSA-UJDVCPFMSA-N 1 2 326.400 1.471 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000291687704 267168115 /nfs/dbraw/zinc/16/81/15/267168115.db2.gz SDOIIUOZKXTWCD-UKRRQHHQSA-N 1 2 340.387 1.401 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000279068159 267195695 /nfs/dbraw/zinc/19/56/95/267195695.db2.gz DXHQDSGRWQFXEO-HNNXBMFYSA-N 1 2 345.443 1.895 20 30 EDEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000279068159 267195697 /nfs/dbraw/zinc/19/56/97/267195697.db2.gz DXHQDSGRWQFXEO-HNNXBMFYSA-N 1 2 345.443 1.895 20 30 EDEDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000425915382 267199081 /nfs/dbraw/zinc/19/90/81/267199081.db2.gz JSFIBGJAUGZMKE-OAHLLOKOSA-N 1 2 331.416 1.888 20 30 EDEDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCOc1ccc(C#N)cc1OC ZINC000425915382 267199084 /nfs/dbraw/zinc/19/90/84/267199084.db2.gz JSFIBGJAUGZMKE-OAHLLOKOSA-N 1 2 331.416 1.888 20 30 EDEDLO CC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H](C)[S@]1=O ZINC000528510241 267203490 /nfs/dbraw/zinc/20/34/90/267203490.db2.gz XSDGMZHCKGSSIA-YGPZVILASA-N 1 2 336.457 1.529 20 30 EDEDLO CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H](C)[S@]1=O ZINC000528510241 267203491 /nfs/dbraw/zinc/20/34/91/267203491.db2.gz XSDGMZHCKGSSIA-YGPZVILASA-N 1 2 336.457 1.529 20 30 EDEDLO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCS1 ZINC000288572339 267217129 /nfs/dbraw/zinc/21/71/29/267217129.db2.gz AUSRFQVVBFNXAI-LBPRGKRZSA-N 1 2 325.459 1.554 20 30 EDEDLO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCS1 ZINC000288572339 267217130 /nfs/dbraw/zinc/21/71/30/267217130.db2.gz AUSRFQVVBFNXAI-LBPRGKRZSA-N 1 2 325.459 1.554 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C#N)ccn1)C1CCOCC1 ZINC000285591900 267825373 /nfs/dbraw/zinc/82/53/73/267825373.db2.gz TZCHWMQTGRJBFK-HNNXBMFYSA-N 1 2 325.372 1.584 20 30 EDEDLO Cc1ccc(S(=O)(=O)NCCNc2cc(C)[nH+]cc2C#N)s1 ZINC000425247310 268042756 /nfs/dbraw/zinc/04/27/56/268042756.db2.gz ZKZFHWQELZOBAL-UHFFFAOYSA-N 1 2 336.442 1.444 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3nnc4n3CCCCC4)C2)nc1 ZINC000292131901 268182853 /nfs/dbraw/zinc/18/28/53/268182853.db2.gz IUFZJWMXYWEOFO-OAHLLOKOSA-N 1 2 338.415 1.924 20 30 EDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3nnc4n3CCCCC4)C2)nc1 ZINC000292131901 268182854 /nfs/dbraw/zinc/18/28/54/268182854.db2.gz IUFZJWMXYWEOFO-OAHLLOKOSA-N 1 2 338.415 1.924 20 30 EDEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1nc(=O)[nH][nH]1 ZINC000298443616 268278115 /nfs/dbraw/zinc/27/81/15/268278115.db2.gz HAGGHCOTYOXFTI-AWEZNQCLSA-N 1 2 340.387 1.525 20 30 EDEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1c1nc(=O)[nH][nH]1 ZINC000298443616 268278116 /nfs/dbraw/zinc/27/81/16/268278116.db2.gz HAGGHCOTYOXFTI-AWEZNQCLSA-N 1 2 340.387 1.525 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000528400800 268295915 /nfs/dbraw/zinc/29/59/15/268295915.db2.gz QLCXFFHVXUSVFJ-MAUKXSAKSA-N 1 2 328.368 1.964 20 30 EDEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000528400800 268295917 /nfs/dbraw/zinc/29/59/17/268295917.db2.gz QLCXFFHVXUSVFJ-MAUKXSAKSA-N 1 2 328.368 1.964 20 30 EDEDLO COc1cc(/C=C/C(=O)N[C@@](C)(C#N)C[NH+](C)C)ccc1OCC#N ZINC000493396807 447317894 /nfs/dbraw/zinc/31/78/94/447317894.db2.gz GLXTZMNZJPTMMA-IWHGQQBYSA-N 1 2 342.399 1.571 20 30 EDEDLO CN1CCC[C@@H]([NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)C1=O ZINC000538712022 306033014 /nfs/dbraw/zinc/03/30/14/306033014.db2.gz PFOSTQLSBWQWMW-GOSISDBHSA-N 1 2 349.438 1.849 20 30 EDEDLO N#Cc1ccc2[nH+]cc(CN3CCS(=O)(=O)[C@@H]4CCCC[C@@H]43)n2c1 ZINC000539831516 306037817 /nfs/dbraw/zinc/03/78/17/306037817.db2.gz CATSLZYUHOLBMW-JKSUJKDBSA-N 1 2 344.440 1.748 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1C#N ZINC000542311380 306053061 /nfs/dbraw/zinc/05/30/61/306053061.db2.gz JFZLFGJXFNTVCO-UHFFFAOYSA-N 1 2 344.411 1.974 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CCOCC3(CCOCC3)C2)c1C#N ZINC000542311380 306053062 /nfs/dbraw/zinc/05/30/62/306053062.db2.gz JFZLFGJXFNTVCO-UHFFFAOYSA-N 1 2 344.411 1.974 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)c2cscc2C#N)C1=O ZINC000551946275 306170064 /nfs/dbraw/zinc/17/00/64/306170064.db2.gz IVDSXCRAPYGBRK-ZDUSSCGKSA-N 1 2 343.412 1.274 20 30 EDEDLO N#Cc1ccc(NC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000045027223 440939391 /nfs/dbraw/zinc/93/93/91/440939391.db2.gz DMHDDCKCPYVADG-UHFFFAOYSA-N 1 2 341.415 1.330 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000008494377 441093745 /nfs/dbraw/zinc/09/37/45/441093745.db2.gz JUSMHERZOGIPMY-ZDUSSCGKSA-N 1 2 346.431 1.596 20 30 EDEDLO C=CCNC(=O)[C@H](C)[N@@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000008494377 441093751 /nfs/dbraw/zinc/09/37/51/441093751.db2.gz JUSMHERZOGIPMY-ZDUSSCGKSA-N 1 2 346.431 1.596 20 30 EDEDLO N#CC1CC[NH+](CC(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC000057878513 441139836 /nfs/dbraw/zinc/13/98/36/441139836.db2.gz MGNXUHQULRZXCB-UHFFFAOYSA-N 1 2 337.427 1.783 20 30 EDEDLO C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC(C#N)CC1 ZINC000057876907 441140219 /nfs/dbraw/zinc/14/02/19/441140219.db2.gz XBXXPELYAZLGES-ZFWWWQNUSA-N 1 2 329.400 1.567 20 30 EDEDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000047859007 441231754 /nfs/dbraw/zinc/23/17/54/441231754.db2.gz DTUTVTTUOYTCGL-HNNXBMFYSA-N 1 2 327.432 1.476 20 30 EDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000058889330 441217588 /nfs/dbraw/zinc/21/75/88/441217588.db2.gz OAADQHDWZWFYSQ-WMLDXEAASA-N 1 2 330.436 1.042 20 30 EDEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000023365289 441294543 /nfs/dbraw/zinc/29/45/43/441294543.db2.gz WKMPWGIDOFDHOV-AWEZNQCLSA-N 1 2 348.422 1.073 20 30 EDEDLO N#C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CCO1 ZINC000106043177 441325799 /nfs/dbraw/zinc/32/57/99/441325799.db2.gz BFEGTZMWWMIZNJ-HOTGVXAUSA-N 1 2 331.441 1.527 20 30 EDEDLO C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000073699348 441343687 /nfs/dbraw/zinc/34/36/87/441343687.db2.gz XHNGRZIPBNWHMG-UHFFFAOYSA-N 1 2 329.381 1.554 20 30 EDEDLO N#CC1(C(=O)N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)CCCCC1 ZINC000074052126 441385908 /nfs/dbraw/zinc/38/59/08/441385908.db2.gz NIBVAUCAKDWTJP-UHFFFAOYSA-N 1 2 346.475 1.793 20 30 EDEDLO CC(C)CNC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000052660802 441468006 /nfs/dbraw/zinc/46/80/06/441468006.db2.gz YPUCERHYXLIHAV-INIZCTEOSA-N 1 2 328.460 1.837 20 30 EDEDLO CC(C)CNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000052660802 441468008 /nfs/dbraw/zinc/46/80/08/441468008.db2.gz YPUCERHYXLIHAV-INIZCTEOSA-N 1 2 328.460 1.837 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000030214322 441487512 /nfs/dbraw/zinc/48/75/12/441487512.db2.gz CUJOHTRZDSUDAD-UHFFFAOYSA-N 1 2 330.182 1.486 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(Br)o1 ZINC000030214322 441487517 /nfs/dbraw/zinc/48/75/17/441487517.db2.gz CUJOHTRZDSUDAD-UHFFFAOYSA-N 1 2 330.182 1.486 20 30 EDEDLO CN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000029444177 441459206 /nfs/dbraw/zinc/45/92/06/441459206.db2.gz BGYCBWVWHOIYKK-UHFFFAOYSA-N 1 2 349.438 1.734 20 30 EDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000052547894 441459515 /nfs/dbraw/zinc/45/95/15/441459515.db2.gz XMIKDZIAJLPVIV-CQSZACIVSA-N 1 2 339.403 1.070 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000031157403 441515065 /nfs/dbraw/zinc/51/50/65/441515065.db2.gz XMQJOBDENFNARP-AWEZNQCLSA-N 1 2 346.431 1.574 20 30 EDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000031157403 441515069 /nfs/dbraw/zinc/51/50/69/441515069.db2.gz XMQJOBDENFNARP-AWEZNQCLSA-N 1 2 346.431 1.574 20 30 EDEDLO CN(CCC#N)S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067878750 441692559 /nfs/dbraw/zinc/69/25/59/441692559.db2.gz CBWBVKUZCVRELT-UHFFFAOYSA-N 1 2 337.380 1.191 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(N(C)C)s1 ZINC000091936761 441755205 /nfs/dbraw/zinc/75/52/05/441755205.db2.gz NDFZHLVAXORMKT-LBPRGKRZSA-N 1 2 343.460 1.581 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(N(C)C)s1 ZINC000091936761 441755210 /nfs/dbraw/zinc/75/52/10/441755210.db2.gz NDFZHLVAXORMKT-LBPRGKRZSA-N 1 2 343.460 1.581 20 30 EDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000056925961 441758381 /nfs/dbraw/zinc/75/83/81/441758381.db2.gz SRMHDGMFUFQRHY-CMDGGOBGSA-N 1 2 340.427 1.242 20 30 EDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000056925961 441758389 /nfs/dbraw/zinc/75/83/89/441758389.db2.gz SRMHDGMFUFQRHY-CMDGGOBGSA-N 1 2 340.427 1.242 20 30 EDEDLO C[C@@H]([NH2+][C@H](C)c1nnnn1-c1ccccc1)C(=O)N(C)CCC#N ZINC000115604334 441765850 /nfs/dbraw/zinc/76/58/50/441765850.db2.gz RWNRVOBRWVXWJE-CHWSQXEVSA-N 1 2 327.392 1.073 20 30 EDEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000121511983 441722855 /nfs/dbraw/zinc/72/28/55/441722855.db2.gz DWWFFPHGNFWMBI-HNNXBMFYSA-N 1 2 337.445 1.469 20 30 EDEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000121511983 441722862 /nfs/dbraw/zinc/72/28/62/441722862.db2.gz DWWFFPHGNFWMBI-HNNXBMFYSA-N 1 2 337.445 1.469 20 30 EDEDLO Cc1csc(N2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)n1 ZINC000142639920 441865321 /nfs/dbraw/zinc/86/53/21/441865321.db2.gz YDWMALWJZYLYQI-KRWDZBQOSA-N 1 2 347.488 1.772 20 30 EDEDLO Cc1csc(N2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)n1 ZINC000142639920 441865324 /nfs/dbraw/zinc/86/53/24/441865324.db2.gz YDWMALWJZYLYQI-KRWDZBQOSA-N 1 2 347.488 1.772 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(OC)cc2Cl)CC1 ZINC000078268915 441912438 /nfs/dbraw/zinc/91/24/38/441912438.db2.gz APMXVWJMTFIQDG-UHFFFAOYSA-N 1 2 337.851 1.768 20 30 EDEDLO C=CCCOCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000149281887 441923353 /nfs/dbraw/zinc/92/33/53/441923353.db2.gz YVCGEWZPUTUXPQ-HUUCEWRRSA-N 1 2 333.432 1.904 20 30 EDEDLO CNC(=O)C[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000077905105 441886201 /nfs/dbraw/zinc/88/62/01/441886201.db2.gz BCUDTHBCBPCEKB-UHFFFAOYSA-N 1 2 326.322 1.445 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccccc2C)CC1 ZINC000078678629 441961405 /nfs/dbraw/zinc/96/14/05/441961405.db2.gz GZWAZUVEXBTNPZ-UHFFFAOYSA-N 1 2 341.455 1.211 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2C)CC1 ZINC000078678629 441961408 /nfs/dbraw/zinc/96/14/08/441961408.db2.gz GZWAZUVEXBTNPZ-UHFFFAOYSA-N 1 2 341.455 1.211 20 30 EDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 ZINC000161143355 441962515 /nfs/dbraw/zinc/96/25/15/441962515.db2.gz JMSVXBHKOLQGDZ-CQSZACIVSA-N 1 2 328.397 1.951 20 30 EDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 ZINC000161143355 441962516 /nfs/dbraw/zinc/96/25/16/441962516.db2.gz JMSVXBHKOLQGDZ-CQSZACIVSA-N 1 2 328.397 1.951 20 30 EDEDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000151017923 441991728 /nfs/dbraw/zinc/99/17/28/441991728.db2.gz JVWRBLBXCMHOCR-UHFFFAOYSA-N 1 2 325.409 1.660 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc2ccccc2[nH]1 ZINC000079726838 442080798 /nfs/dbraw/zinc/08/07/98/442080798.db2.gz CLQHNAHPJIMKRZ-UHFFFAOYSA-N 1 2 326.400 1.856 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc2ncccc2c1 ZINC000162505468 442098867 /nfs/dbraw/zinc/09/88/67/442098867.db2.gz RCEGZZTVNNMXLV-UHFFFAOYSA-N 1 2 338.411 1.923 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000079991263 442103912 /nfs/dbraw/zinc/10/39/12/442103912.db2.gz USTXLBAXVNAGAC-UHFFFAOYSA-N 1 2 334.807 1.880 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000079991263 442103915 /nfs/dbraw/zinc/10/39/15/442103915.db2.gz USTXLBAXVNAGAC-UHFFFAOYSA-N 1 2 334.807 1.880 20 30 EDEDLO C=CC[N@@H+](C[C@H](O)COc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000121179277 442187406 /nfs/dbraw/zinc/18/74/06/442187406.db2.gz UNOBHJNRVQPCRE-CVEARBPZSA-N 1 2 339.457 1.410 20 30 EDEDLO C=CC[N@H+](C[C@H](O)COc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000121179277 442187410 /nfs/dbraw/zinc/18/74/10/442187410.db2.gz UNOBHJNRVQPCRE-CVEARBPZSA-N 1 2 339.457 1.410 20 30 EDEDLO C=CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1ccco1 ZINC000127807575 442226665 /nfs/dbraw/zinc/22/66/65/442226665.db2.gz RMKFOUPOGMOUIG-UHFFFAOYSA-N 1 2 347.444 1.590 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000128048236 442242499 /nfs/dbraw/zinc/24/24/99/442242499.db2.gz AJIFXYFIISHVMT-UHFFFAOYSA-N 1 2 333.476 1.631 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000128048236 442242502 /nfs/dbraw/zinc/24/25/02/442242502.db2.gz AJIFXYFIISHVMT-UHFFFAOYSA-N 1 2 333.476 1.631 20 30 EDEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C2)CC1 ZINC000170949153 442293341 /nfs/dbraw/zinc/29/33/41/442293341.db2.gz XUBWYKFOLVETDN-SFHVURJKSA-N 1 2 326.444 1.339 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154396508 442337060 /nfs/dbraw/zinc/33/70/60/442337060.db2.gz VVMNUPIMJUKJAI-QGZVFWFLSA-N 1 2 348.403 1.176 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(-n2cncn2)cc1 ZINC000154762337 442355668 /nfs/dbraw/zinc/35/56/68/442355668.db2.gz GAIOIPGDQOBEAY-UHFFFAOYSA-N 1 2 340.431 1.315 20 30 EDEDLO N#CCC[N@H+](CCN1CCOCC1)Cc1ccc(-n2cncn2)cc1 ZINC000154762337 442355670 /nfs/dbraw/zinc/35/56/70/442355670.db2.gz GAIOIPGDQOBEAY-UHFFFAOYSA-N 1 2 340.431 1.315 20 30 EDEDLO N#CCC[N@@H+](CCN1CCOCC1)Cc1ccc(-n2cncn2)cc1 ZINC000154762337 442355672 /nfs/dbraw/zinc/35/56/72/442355672.db2.gz GAIOIPGDQOBEAY-UHFFFAOYSA-N 1 2 340.431 1.315 20 30 EDEDLO C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cn2ccccc2[nH+]1 ZINC000155599996 442411715 /nfs/dbraw/zinc/41/17/15/442411715.db2.gz NUJDUVIMNWOXHB-AWEZNQCLSA-N 1 2 333.399 1.707 20 30 EDEDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000133722927 442431383 /nfs/dbraw/zinc/43/13/83/442431383.db2.gz PEGRWEVXCOHIPT-OAHLLOKOSA-N 1 2 330.432 1.670 20 30 EDEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(Cn2cncn2)CC1 ZINC000186234811 442493435 /nfs/dbraw/zinc/49/34/35/442493435.db2.gz JETVFOPDBCKLPV-KRWDZBQOSA-N 1 2 339.399 1.776 20 30 EDEDLO CCN(CCC#N)C(=O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178773921 442481135 /nfs/dbraw/zinc/48/11/35/442481135.db2.gz HGIREWPCJFYAAU-UHFFFAOYSA-N 1 2 332.423 1.705 20 30 EDEDLO COCCNC(=O)C[NH+]1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000134948516 442540532 /nfs/dbraw/zinc/54/05/32/442540532.db2.gz RLKSWEMMBQDZCJ-UHFFFAOYSA-N 1 2 349.862 1.072 20 30 EDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000157614678 442598066 /nfs/dbraw/zinc/59/80/66/442598066.db2.gz JNLPQGFCWCPWGC-GFCCVEGCSA-N 1 2 343.387 1.256 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000180746932 442655392 /nfs/dbraw/zinc/65/53/92/442655392.db2.gz VEXJFUGLVILFFX-AWEZNQCLSA-N 1 2 325.459 1.620 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)s1 ZINC000180746932 442655393 /nfs/dbraw/zinc/65/53/93/442655393.db2.gz VEXJFUGLVILFFX-AWEZNQCLSA-N 1 2 325.459 1.620 20 30 EDEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CC(O)(CC#N)C3)cn2c1 ZINC000186839503 442619906 /nfs/dbraw/zinc/61/99/06/442619906.db2.gz IYAYFSZLCCPIMD-UHFFFAOYSA-N 1 2 330.413 1.363 20 30 EDEDLO C#CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc(F)cc1 ZINC000181597046 442706042 /nfs/dbraw/zinc/70/60/42/442706042.db2.gz HHAHTWHRKZOVAW-UHFFFAOYSA-N 1 2 334.391 1.719 20 30 EDEDLO C#CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc(F)cc1 ZINC000181597046 442706044 /nfs/dbraw/zinc/70/60/44/442706044.db2.gz HHAHTWHRKZOVAW-UHFFFAOYSA-N 1 2 334.391 1.719 20 30 EDEDLO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n[nH]1 ZINC000187256844 442664329 /nfs/dbraw/zinc/66/43/29/442664329.db2.gz IGVRPZWNKKPXBU-HNNXBMFYSA-N 1 2 344.463 1.571 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000193246152 442726050 /nfs/dbraw/zinc/72/60/50/442726050.db2.gz KEHKIKZBVXIGFO-MRXNPFEDSA-N 1 2 342.443 1.595 20 30 EDEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000193246152 442726051 /nfs/dbraw/zinc/72/60/51/442726051.db2.gz KEHKIKZBVXIGFO-MRXNPFEDSA-N 1 2 342.443 1.595 20 30 EDEDLO C=CCn1c(=O)c2ccc(C(=O)N3CC[NH2+][C@H](C)C3)cc2[nH]c1=S ZINC000188390997 442745874 /nfs/dbraw/zinc/74/58/74/442745874.db2.gz URDJHQDHFMTEJB-LLVKDONJSA-N 1 2 344.440 1.305 20 30 EDEDLO C[C@](C#N)(NC(=O)C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1)C1CC1 ZINC000181771145 442715282 /nfs/dbraw/zinc/71/52/82/442715282.db2.gz UHLXQXIUTMVUAV-DOTOQJQBSA-N 1 2 349.456 1.170 20 30 EDEDLO CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C#N)C1 ZINC000267990888 442809515 /nfs/dbraw/zinc/80/95/15/442809515.db2.gz KJFKPXARQASVQQ-CYBMUJFWSA-N 1 2 333.392 1.245 20 30 EDEDLO COCC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000268046203 442828667 /nfs/dbraw/zinc/82/86/67/442828667.db2.gz XCNZTKTYWVUQRM-CQSZACIVSA-N 1 2 337.445 1.290 20 30 EDEDLO C=C(C)CN(C)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000183054987 442871588 /nfs/dbraw/zinc/87/15/88/442871588.db2.gz GEYBXQWSFIILEG-UHFFFAOYSA-N 1 2 330.432 1.545 20 30 EDEDLO CN(C(=O)C[NH2+][C@@](C)(C(N)=O)c1ccccc1)C1(C#N)CCCCC1 ZINC000195225185 442998715 /nfs/dbraw/zinc/99/87/15/442998715.db2.gz KOJULNWHOJJADO-GOSISDBHSA-N 1 2 342.443 1.662 20 30 EDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000253373662 443050906 /nfs/dbraw/zinc/05/09/06/443050906.db2.gz JTZJDBUGCXZIRR-ZDUSSCGKSA-N 1 2 330.407 1.482 20 30 EDEDLO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nnnn1-c1ccccc1 ZINC000184816303 443080717 /nfs/dbraw/zinc/08/07/17/443080717.db2.gz RJPZEFIVBIINJL-YVEFUNNKSA-N 1 2 339.403 1.121 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000266377188 443110658 /nfs/dbraw/zinc/11/06/58/443110658.db2.gz HRAABDDBPVUHHU-AWEZNQCLSA-N 1 2 334.395 1.205 20 30 EDEDLO C#CCOc1cc(F)ccc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000266377188 443110661 /nfs/dbraw/zinc/11/06/61/443110661.db2.gz HRAABDDBPVUHHU-AWEZNQCLSA-N 1 2 334.395 1.205 20 30 EDEDLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccnc(C#N)c3)CC2)no1 ZINC000610995022 450400453 /nfs/dbraw/zinc/40/04/53/450400453.db2.gz UZMAOPBRAPQONT-UHFFFAOYSA-N 1 2 340.431 1.952 20 30 EDEDLO CCc1nn(C)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000245947406 443259941 /nfs/dbraw/zinc/25/99/41/443259941.db2.gz WBHTXBWKCZIBBO-CYBMUJFWSA-N 1 2 325.420 1.355 20 30 EDEDLO CCc1nn(C)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000245947406 443259944 /nfs/dbraw/zinc/25/99/44/443259944.db2.gz WBHTXBWKCZIBBO-CYBMUJFWSA-N 1 2 325.420 1.355 20 30 EDEDLO COc1ccc(C(=O)N2CC[NH+](CCCC#N)CC2)c(OC)c1OC ZINC000267087347 443337689 /nfs/dbraw/zinc/33/76/89/443337689.db2.gz ZVOAYALQBHRJIZ-UHFFFAOYSA-N 1 2 347.415 1.774 20 30 EDEDLO C=C[C@](C)(O)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000278652219 443391297 /nfs/dbraw/zinc/39/12/97/443391297.db2.gz OUOCFYLWIHZHAM-SFHVURJKSA-N 1 2 332.448 1.884 20 30 EDEDLO CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000272523855 443350327 /nfs/dbraw/zinc/35/03/27/443350327.db2.gz HSOUSDFFIQKQRL-UHFFFAOYSA-N 1 2 333.392 1.161 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC(=O)NCC2(C)C)c(OC)c1 ZINC000282756712 443426037 /nfs/dbraw/zinc/42/60/37/443426037.db2.gz OCDAMTOMSMUBNW-HNNXBMFYSA-N 1 2 348.443 1.374 20 30 EDEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC(=O)NCC2(C)C)c(OC)c1 ZINC000282756712 443426042 /nfs/dbraw/zinc/42/60/42/443426042.db2.gz OCDAMTOMSMUBNW-HNNXBMFYSA-N 1 2 348.443 1.374 20 30 EDEDLO Cn1cc[nH+]c1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N ZINC000269810463 443450670 /nfs/dbraw/zinc/45/06/70/443450670.db2.gz GLLBNWJFZQZCCK-UHFFFAOYSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c(C#N)c1C ZINC000278856103 443462899 /nfs/dbraw/zinc/46/28/99/443462899.db2.gz KRSOITCJAVSJHA-GTNSWQLSSA-N 1 2 330.388 1.307 20 30 EDEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(CNC(=O)C3)C2)c(C#N)c1C ZINC000278856103 443462904 /nfs/dbraw/zinc/46/29/04/443462904.db2.gz KRSOITCJAVSJHA-GTNSWQLSSA-N 1 2 330.388 1.307 20 30 EDEDLO C#CC[C@H](NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000270367369 443468545 /nfs/dbraw/zinc/46/85/45/443468545.db2.gz SMOUMHHJXFLNMN-INIZCTEOSA-N 1 2 342.443 1.342 20 30 EDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000273002414 443515073 /nfs/dbraw/zinc/51/50/73/443515073.db2.gz ZQLMJROMMHXODG-UHFFFAOYSA-N 1 2 345.774 1.783 20 30 EDEDLO Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CCO2)cn1 ZINC000267645039 443525263 /nfs/dbraw/zinc/52/52/63/443525263.db2.gz WORFABFZRBNIKF-KRWDZBQOSA-N 1 2 339.399 1.694 20 30 EDEDLO Cn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CCO2)cn1 ZINC000267645039 443525268 /nfs/dbraw/zinc/52/52/68/443525268.db2.gz WORFABFZRBNIKF-KRWDZBQOSA-N 1 2 339.399 1.694 20 30 EDEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC3(CNC(=O)C3)CC2)C1=O ZINC000267731645 443558021 /nfs/dbraw/zinc/55/80/21/443558021.db2.gz BNCDPANGANBGTC-CYBMUJFWSA-N 1 2 344.440 1.327 20 30 EDEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)NCC#Cc2ccccc2)CCO1 ZINC000275464186 443628166 /nfs/dbraw/zinc/62/81/66/443628166.db2.gz XNNZQVGCKHQLMA-SJLPKXTDSA-N 1 2 338.411 1.991 20 30 EDEDLO Cc1cccc2c1N(C(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1)CC2 ZINC000274722151 443610140 /nfs/dbraw/zinc/61/01/40/443610140.db2.gz ALCWMZRARPLVCB-UHFFFAOYSA-N 1 2 340.427 1.331 20 30 EDEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1(C#N)CCOCC1 ZINC000280087068 443663359 /nfs/dbraw/zinc/66/33/59/443663359.db2.gz JVSGFWDOQQUFBH-UHFFFAOYSA-N 1 2 334.326 1.812 20 30 EDEDLO C=C[C@](C)(CCOC)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000276266503 443678391 /nfs/dbraw/zinc/67/83/91/443678391.db2.gz QJIGTIWFIUZGIZ-XJKSGUPXSA-N 1 2 325.478 1.851 20 30 EDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccccc1OCC#N ZINC000286416680 443710239 /nfs/dbraw/zinc/71/02/39/443710239.db2.gz BBCLCSYVAWYKFZ-HUUCEWRRSA-N 1 2 329.400 1.524 20 30 EDEDLO C=C(Cl)CNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000284692457 443784008 /nfs/dbraw/zinc/78/40/08/443784008.db2.gz YDVQFQJRMOPILF-IUODEOHRSA-N 1 2 336.823 1.731 20 30 EDEDLO Cc1cccc2c1OC[C@@H](NC(=O)N1CCC(C#N)([NH+](C)C)CC1)C2 ZINC000291326192 443756481 /nfs/dbraw/zinc/75/64/81/443756481.db2.gz SZWSUMFPDSKAQE-INIZCTEOSA-N 1 2 342.443 1.928 20 30 EDEDLO CO/N=C(/C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1)c1ccco1 ZINC000284959402 443798757 /nfs/dbraw/zinc/79/87/57/443798757.db2.gz JMSXZMNYIVWXEI-DUHXBFFASA-N 1 2 346.387 1.648 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000291540860 443761091 /nfs/dbraw/zinc/76/10/91/443761091.db2.gz OWBZZOBQRUOCNS-UHFFFAOYSA-N 1 2 337.782 1.585 20 30 EDEDLO C[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1Cc1ccccc1 ZINC000284091290 443765115 /nfs/dbraw/zinc/76/51/15/443765115.db2.gz VQCFWQWYFNNRGQ-MRXNPFEDSA-N 1 2 333.457 1.479 20 30 EDEDLO C[N@H+]1CCN(S(=O)(=O)CC2(C#N)CC2)C[C@H]1Cc1ccccc1 ZINC000284091290 443765117 /nfs/dbraw/zinc/76/51/17/443765117.db2.gz VQCFWQWYFNNRGQ-MRXNPFEDSA-N 1 2 333.457 1.479 20 30 EDEDLO COc1ccccc1S(=O)(=O)CCCO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284522198 443778276 /nfs/dbraw/zinc/77/82/76/443778276.db2.gz USBQCPXBXABCAS-ZDUSSCGKSA-N 1 2 342.417 1.327 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)NCc3ccc(OCC#N)cc3)C[C@H]21 ZINC000285318839 443940402 /nfs/dbraw/zinc/94/04/02/443940402.db2.gz HYWULOSLVHASBF-SJORKVTESA-N 1 2 344.415 1.203 20 30 EDEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)NCc3ccc(OCC#N)cc3)C[C@H]21 ZINC000285318839 443940407 /nfs/dbraw/zinc/94/04/07/443940407.db2.gz HYWULOSLVHASBF-SJORKVTESA-N 1 2 344.415 1.203 20 30 EDEDLO C=CCCCNC(=O)C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000288670570 443951072 /nfs/dbraw/zinc/95/10/72/443951072.db2.gz VYNNZLINCQUAOE-UHFFFAOYSA-N 1 2 338.477 1.094 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000281507382 443930503 /nfs/dbraw/zinc/93/05/03/443930503.db2.gz YLAVWFOJOKVJBF-SJORKVTESA-N 1 2 338.411 1.382 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1=O ZINC000281507382 443930505 /nfs/dbraw/zinc/93/05/05/443930505.db2.gz YLAVWFOJOKVJBF-SJORKVTESA-N 1 2 338.411 1.382 20 30 EDEDLO Cc1ccc(C(N)=[NH+]OCc2nnnn2CC2CCOCC2)cc1F ZINC000277548931 444005731 /nfs/dbraw/zinc/00/57/31/444005731.db2.gz QIUPBYASYBXIHI-UHFFFAOYSA-N 1 2 348.382 1.384 20 30 EDEDLO C#CC[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000285375629 443960294 /nfs/dbraw/zinc/96/02/94/443960294.db2.gz KWEGAMTXTWLIND-RCCFBDPRSA-N 1 2 327.428 1.866 20 30 EDEDLO C#CC[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)c1ccccc1 ZINC000285375629 443960296 /nfs/dbraw/zinc/96/02/96/443960296.db2.gz KWEGAMTXTWLIND-RCCFBDPRSA-N 1 2 327.428 1.866 20 30 EDEDLO C=CCC(CC=C)c1nc(CC(=O)NCC[NH+]2CCOCC2)no1 ZINC000277729627 444034189 /nfs/dbraw/zinc/03/41/89/444034189.db2.gz CVAIJXRHNISKEP-UHFFFAOYSA-N 1 2 334.420 1.296 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)C1=O ZINC000281875955 444029306 /nfs/dbraw/zinc/02/93/06/444029306.db2.gz CONBGEGKWICCLZ-HUUCEWRRSA-N 1 2 329.448 1.928 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)C1=O ZINC000281875955 444029307 /nfs/dbraw/zinc/02/93/07/444029307.db2.gz CONBGEGKWICCLZ-HUUCEWRRSA-N 1 2 329.448 1.928 20 30 EDEDLO CC(C)(C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[NH+]1CCOCC1 ZINC000293579097 444060233 /nfs/dbraw/zinc/06/02/33/444060233.db2.gz ARXNHGDODWSFKI-OAHLLOKOSA-N 1 2 344.415 1.044 20 30 EDEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)C1=O ZINC000282101566 444086108 /nfs/dbraw/zinc/08/61/08/444086108.db2.gz WCYLVAPEFZVXBZ-INIZCTEOSA-N 1 2 347.846 1.885 20 30 EDEDLO COc1cc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1O ZINC000294486932 444119299 /nfs/dbraw/zinc/11/92/99/444119299.db2.gz IWOZMANVYUQVIW-UHFFFAOYSA-N 1 2 347.415 1.018 20 30 EDEDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)nc1 ZINC000285864451 444133756 /nfs/dbraw/zinc/13/37/56/444133756.db2.gz DPAUNYXXBCRMNQ-UHFFFAOYSA-N 1 2 337.383 1.457 20 30 EDEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000282282029 444136249 /nfs/dbraw/zinc/13/62/49/444136249.db2.gz VLOPQHGONICDJG-GFCCVEGCSA-N 1 2 329.278 1.726 20 30 EDEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000282282029 444136253 /nfs/dbraw/zinc/13/62/53/444136253.db2.gz VLOPQHGONICDJG-GFCCVEGCSA-N 1 2 329.278 1.726 20 30 EDEDLO N#Cc1cccnc1NCc1ccc[nH+]c1N1CCC[C@H](C(N)=O)C1 ZINC000301217141 444155686 /nfs/dbraw/zinc/15/56/86/444155686.db2.gz ZOMNDYHIKRGJPU-HNNXBMFYSA-N 1 2 336.399 1.662 20 30 EDEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000285968546 444165415 /nfs/dbraw/zinc/16/54/15/444165415.db2.gz NNYCYLGTOVNPKD-KRWDZBQOSA-N 1 2 345.443 1.038 20 30 EDEDLO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000285968546 444165418 /nfs/dbraw/zinc/16/54/18/444165418.db2.gz NNYCYLGTOVNPKD-KRWDZBQOSA-N 1 2 345.443 1.038 20 30 EDEDLO Cn1cccc1[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289857173 444211940 /nfs/dbraw/zinc/21/19/40/444211940.db2.gz KXQHEEBBWFGUOD-INIZCTEOSA-N 1 2 344.440 1.903 20 30 EDEDLO Cn1cccc1[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289857173 444211942 /nfs/dbraw/zinc/21/19/42/444211942.db2.gz KXQHEEBBWFGUOD-INIZCTEOSA-N 1 2 344.440 1.903 20 30 EDEDLO Cc1ccc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)nc1C#N ZINC000302705213 444220670 /nfs/dbraw/zinc/22/06/70/444220670.db2.gz JOPHPQJSGILGPI-UHFFFAOYSA-N 1 2 341.459 1.786 20 30 EDEDLO N#Cc1ncc(OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000575810571 321528834 /nfs/dbraw/zinc/52/88/34/321528834.db2.gz LMHMQGOQXWPUEH-UHFFFAOYSA-N 1 2 343.412 1.133 20 30 EDEDLO C#CCCOc1ccc(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)cc1 ZINC000295456982 444184087 /nfs/dbraw/zinc/18/40/87/444184087.db2.gz YGCYKKLVNHBNOS-UHFFFAOYSA-N 1 2 343.427 1.110 20 30 EDEDLO C=CCn1c(C)nnc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000289790232 444203750 /nfs/dbraw/zinc/20/37/50/444203750.db2.gz UGGOAPZNBVOXDG-UHFFFAOYSA-N 1 2 337.431 1.742 20 30 EDEDLO C=CCNc1ncc(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)s1 ZINC000290360345 444271852 /nfs/dbraw/zinc/27/18/52/444271852.db2.gz GNQVGGISKNATSH-STQMWFEESA-N 1 2 336.461 1.676 20 30 EDEDLO CNC(=O)NC1C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000297292960 444281114 /nfs/dbraw/zinc/28/11/14/444281114.db2.gz AZGLLPXYGIUROP-UHFFFAOYSA-N 1 2 338.415 1.577 20 30 EDEDLO CNC(=O)NC1C[NH+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000297451873 444287601 /nfs/dbraw/zinc/28/76/01/444287601.db2.gz QPSXGEUCTPVSAM-UHFFFAOYSA-N 1 2 332.404 1.491 20 30 EDEDLO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)nn1CCC#N ZINC000290528896 444292080 /nfs/dbraw/zinc/29/20/80/444292080.db2.gz XEMLPUXVCBHHMH-HUUCEWRRSA-N 1 2 346.435 1.432 20 30 EDEDLO C#Cc1ccccc1CC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000290607918 444300976 /nfs/dbraw/zinc/30/09/76/444300976.db2.gz BHDAWBLBFITSMK-IBGZPJMESA-N 1 2 326.440 1.780 20 30 EDEDLO C#Cc1ccccc1CC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000290607918 444300978 /nfs/dbraw/zinc/30/09/78/444300978.db2.gz BHDAWBLBFITSMK-IBGZPJMESA-N 1 2 326.440 1.780 20 30 EDEDLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000330980848 444345394 /nfs/dbraw/zinc/34/53/94/444345394.db2.gz MYHXYFAXYVVJQL-CYBMUJFWSA-N 1 2 336.440 1.747 20 30 EDEDLO C[C@H](NC(=O)N[C@@H]1CCCC12CCOCC2)[C@H](C)[NH+]1CCOCC1 ZINC000328775333 444348025 /nfs/dbraw/zinc/34/80/25/444348025.db2.gz HWXRQWFQEPZTDV-HRCADAONSA-N 1 2 339.480 1.949 20 30 EDEDLO N#CC1CCN(C(=O)C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000339989126 444349574 /nfs/dbraw/zinc/34/95/74/444349574.db2.gz NEJXGKWMQQFPHE-UHFFFAOYSA-N 1 2 345.790 1.366 20 30 EDEDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1CCCN(c2ccnn2C)C1=O ZINC000328797975 444356258 /nfs/dbraw/zinc/35/62/58/444356258.db2.gz WHQWROAUKKOHHN-ZDUSSCGKSA-N 1 2 330.392 1.238 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000337698590 444359623 /nfs/dbraw/zinc/35/96/23/444359623.db2.gz ZZFFFVGSEHUXRM-INIZCTEOSA-N 1 2 328.416 1.733 20 30 EDEDLO CC(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000337698590 444359628 /nfs/dbraw/zinc/35/96/28/444359628.db2.gz ZZFFFVGSEHUXRM-INIZCTEOSA-N 1 2 328.416 1.733 20 30 EDEDLO C=CCn1c(-c2ncccc2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC000337708043 444365774 /nfs/dbraw/zinc/36/57/74/444365774.db2.gz ATKLZBPJOGVLOM-UHFFFAOYSA-N 1 2 342.447 1.603 20 30 EDEDLO C[C@H](CCO)C1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CCC1 ZINC000328845284 444372695 /nfs/dbraw/zinc/37/26/95/444372695.db2.gz AEHLDPYRHUZORI-OAGGEKHMSA-N 1 2 339.480 1.494 20 30 EDEDLO C[C@H](CCO)C1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CCC1 ZINC000328845284 444372697 /nfs/dbraw/zinc/37/26/97/444372697.db2.gz AEHLDPYRHUZORI-OAGGEKHMSA-N 1 2 339.480 1.494 20 30 EDEDLO CN1CCN(S(=O)(=O)Cc2cccc(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328637022 444406179 /nfs/dbraw/zinc/40/61/79/444406179.db2.gz VWMPTGAZICHUGX-HNNXBMFYSA-N 1 2 345.428 1.100 20 30 EDEDLO CCn1cnnc1[C@H]1C[N@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000328649357 444414096 /nfs/dbraw/zinc/41/40/96/444414096.db2.gz VAOFGXHTMJEWTI-MRXNPFEDSA-N 1 2 327.388 1.752 20 30 EDEDLO CCn1cnnc1[C@H]1C[N@@H+](Cc2ccc(OC)c(C#N)c2)CCO1 ZINC000328649357 444414097 /nfs/dbraw/zinc/41/40/97/444414097.db2.gz VAOFGXHTMJEWTI-MRXNPFEDSA-N 1 2 327.388 1.752 20 30 EDEDLO CN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000328949935 444419172 /nfs/dbraw/zinc/41/91/72/444419172.db2.gz LBTXXVDDSVJHJY-DLBZAZTESA-N 1 2 333.432 1.175 20 30 EDEDLO CN1CCOC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000328949935 444419176 /nfs/dbraw/zinc/41/91/76/444419176.db2.gz LBTXXVDDSVJHJY-DLBZAZTESA-N 1 2 333.432 1.175 20 30 EDEDLO COCC[N@@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H]1C ZINC000331057130 444377213 /nfs/dbraw/zinc/37/72/13/444377213.db2.gz LRLRGBQXOCAYHE-OAHLLOKOSA-N 1 2 343.493 1.443 20 30 EDEDLO COCC[N@H+]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H]1C ZINC000331057130 444377214 /nfs/dbraw/zinc/37/72/14/444377214.db2.gz LRLRGBQXOCAYHE-OAHLLOKOSA-N 1 2 343.493 1.443 20 30 EDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000337768806 444396739 /nfs/dbraw/zinc/39/67/39/444396739.db2.gz NPVVPIAILNUGEZ-LBPRGKRZSA-N 1 2 333.417 1.645 20 30 EDEDLO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)Nc2cnn(C)c2)C1 ZINC000328630447 444402463 /nfs/dbraw/zinc/40/24/63/444402463.db2.gz PVWWXEZZLQZZOE-ZDUSSCGKSA-N 1 2 330.392 1.580 20 30 EDEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCCc3c2cnn3C)C1 ZINC000328751995 444449522 /nfs/dbraw/zinc/44/95/22/444449522.db2.gz CQRSKKSECCIPOP-OCCSQVGLSA-N 1 2 328.420 1.935 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329036891 444453833 /nfs/dbraw/zinc/45/38/33/444453833.db2.gz NCORABLPHYHORZ-BHEGOAEISA-N 1 2 346.475 1.612 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000329036891 444453835 /nfs/dbraw/zinc/45/38/35/444453835.db2.gz NCORABLPHYHORZ-BHEGOAEISA-N 1 2 346.475 1.612 20 30 EDEDLO Cc1cn2cc(NC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)ccc2[nH+]1 ZINC000328984147 444434672 /nfs/dbraw/zinc/43/46/72/444434672.db2.gz ZBYXQDLBUBPTQD-ZDUSSCGKSA-N 1 2 336.417 1.350 20 30 EDEDLO Cc1nnnn1-c1cccc(NC(=O)C2([NH+]3CCOCC3)CCC2)c1 ZINC000329119840 444477064 /nfs/dbraw/zinc/47/70/64/444477064.db2.gz PLBXMXOFYMTXBJ-UHFFFAOYSA-N 1 2 342.403 1.814 20 30 EDEDLO C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)CC[S@@]1=O ZINC000580508759 322058601 /nfs/dbraw/zinc/05/86/01/322058601.db2.gz UEIKRPGXWOSKCY-MQJDWESPSA-N 1 2 325.459 1.791 20 30 EDEDLO C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)CC[S@@]1=O ZINC000580508759 322058603 /nfs/dbraw/zinc/05/86/03/322058603.db2.gz UEIKRPGXWOSKCY-MQJDWESPSA-N 1 2 325.459 1.791 20 30 EDEDLO CC(C)N1C(=O)C[C@@H](NC(=O)C2CC[NH+](CC(F)F)CC2)C1=O ZINC000329215623 444503892 /nfs/dbraw/zinc/50/38/92/444503892.db2.gz MZLFGPBHWPDBGD-LLVKDONJSA-N 1 2 331.363 1.456 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@]3(CCOC3)C2)nc1 ZINC000581410886 322173244 /nfs/dbraw/zinc/17/32/44/322173244.db2.gz PBMFIZKKEZWXLQ-MRXNPFEDSA-N 1 2 335.429 1.229 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@]3(CCOC3)C2)nc1 ZINC000581410886 322173246 /nfs/dbraw/zinc/17/32/46/322173246.db2.gz PBMFIZKKEZWXLQ-MRXNPFEDSA-N 1 2 335.429 1.229 20 30 EDEDLO Cc1cccc2nc(CNC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)cn21 ZINC000329238777 444509201 /nfs/dbraw/zinc/50/92/01/444509201.db2.gz LKACOAYZJBFBIL-CABCVRRESA-N 1 2 329.404 1.072 20 30 EDEDLO Cc1cccc2nc(CNC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)cn21 ZINC000329238777 444509204 /nfs/dbraw/zinc/50/92/04/444509204.db2.gz LKACOAYZJBFBIL-CABCVRRESA-N 1 2 329.404 1.072 20 30 EDEDLO COc1cnc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)s1 ZINC000329242316 444510411 /nfs/dbraw/zinc/51/04/11/444510411.db2.gz OFKXXGQYOAOMKS-WDEREUQCSA-N 1 2 326.422 1.492 20 30 EDEDLO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000340915301 444573696 /nfs/dbraw/zinc/57/36/96/444573696.db2.gz ISBYKRHHMCJUMD-DOMZBBRYSA-N 1 2 325.372 1.138 20 30 EDEDLO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000340915301 444573700 /nfs/dbraw/zinc/57/37/00/444573700.db2.gz ISBYKRHHMCJUMD-DOMZBBRYSA-N 1 2 325.372 1.138 20 30 EDEDLO COC[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@H]1CCCO1 ZINC000329364080 444550501 /nfs/dbraw/zinc/55/05/01/444550501.db2.gz ZZHPJNJGRGCROR-HRCADAONSA-N 1 2 326.437 1.780 20 30 EDEDLO COC[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@H]1CCCO1 ZINC000329364080 444550508 /nfs/dbraw/zinc/55/05/08/444550508.db2.gz ZZHPJNJGRGCROR-HRCADAONSA-N 1 2 326.437 1.780 20 30 EDEDLO CN(C(=O)C[N@H+](C)C[C@H]1CCS(=O)(=O)C1)C1(C#N)CCCCC1 ZINC000329561415 444629819 /nfs/dbraw/zinc/62/98/19/444629819.db2.gz JFJICDLZKSNZHL-CQSZACIVSA-N 1 2 341.477 1.038 20 30 EDEDLO CN(C(=O)C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1)C1(C#N)CCCCC1 ZINC000329561415 444629822 /nfs/dbraw/zinc/62/98/22/444629822.db2.gz JFJICDLZKSNZHL-CQSZACIVSA-N 1 2 341.477 1.038 20 30 EDEDLO C[C@H](NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)[C@@H]1CCCOC1 ZINC000329477539 444596442 /nfs/dbraw/zinc/59/64/42/444596442.db2.gz BYMQNOIQMCSPCO-GOEBONIOSA-N 1 2 335.452 1.267 20 30 EDEDLO COc1ccc2c(c1OC)CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2 ZINC000341003549 444626198 /nfs/dbraw/zinc/62/61/98/444626198.db2.gz YLVQSZBTBXUNSS-CYBMUJFWSA-N 1 2 331.416 1.822 20 30 EDEDLO COc1ccc2c(c1OC)CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2 ZINC000341003549 444626201 /nfs/dbraw/zinc/62/62/01/444626201.db2.gz YLVQSZBTBXUNSS-CYBMUJFWSA-N 1 2 331.416 1.822 20 30 EDEDLO CO[C@](C)(CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)C1CC1 ZINC000329613780 444649666 /nfs/dbraw/zinc/64/96/66/444649666.db2.gz KOCDDJINUROUIE-YSVLISHTSA-N 1 2 325.453 1.511 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000333367986 444661843 /nfs/dbraw/zinc/66/18/43/444661843.db2.gz YUZPZKGOVKTICJ-CVEARBPZSA-N 1 2 349.475 1.987 20 30 EDEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000333367986 444661844 /nfs/dbraw/zinc/66/18/44/444661844.db2.gz YUZPZKGOVKTICJ-CVEARBPZSA-N 1 2 349.475 1.987 20 30 EDEDLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)Nc1ccc2c(c1)OCCCO2 ZINC000329663838 444670827 /nfs/dbraw/zinc/67/08/27/444670827.db2.gz JPLSPRXEDGRKGH-HNNXBMFYSA-N 1 2 347.415 1.452 20 30 EDEDLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)Nc1ccc2c(c1)OCCCO2 ZINC000329663838 444670830 /nfs/dbraw/zinc/67/08/30/444670830.db2.gz JPLSPRXEDGRKGH-HNNXBMFYSA-N 1 2 347.415 1.452 20 30 EDEDLO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCCS(=O)(=O)C1)c1ccsc1 ZINC000329802571 444722668 /nfs/dbraw/zinc/72/26/68/444722668.db2.gz ZECZJSMCCZUWQV-CHWSQXEVSA-N 1 2 345.490 1.432 20 30 EDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CCN1CC(F)F ZINC000329724685 444693248 /nfs/dbraw/zinc/69/32/48/444693248.db2.gz NZTRPNNHFGFLEP-NWDGAFQWSA-N 1 2 341.406 1.842 20 30 EDEDLO CC[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CCN1CC(F)F ZINC000329724685 444693249 /nfs/dbraw/zinc/69/32/49/444693249.db2.gz NZTRPNNHFGFLEP-NWDGAFQWSA-N 1 2 341.406 1.842 20 30 EDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccccc2CN2CCNC2=O)C1 ZINC000329839405 444736405 /nfs/dbraw/zinc/73/64/05/444736405.db2.gz MVCFGXJDHKRIKA-AWEZNQCLSA-N 1 2 347.419 1.073 20 30 EDEDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccccc2CN2CCNC2=O)C1 ZINC000329839405 444736408 /nfs/dbraw/zinc/73/64/08/444736408.db2.gz MVCFGXJDHKRIKA-AWEZNQCLSA-N 1 2 347.419 1.073 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000329858018 444742782 /nfs/dbraw/zinc/74/27/82/444742782.db2.gz VTCNFSAYPBLRBL-VXGBXAGGSA-N 1 2 337.445 1.586 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000329858018 444742785 /nfs/dbraw/zinc/74/27/85/444742785.db2.gz VTCNFSAYPBLRBL-VXGBXAGGSA-N 1 2 337.445 1.586 20 30 EDEDLO CCN1CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1=O ZINC000329864102 444745367 /nfs/dbraw/zinc/74/53/67/444745367.db2.gz SLDLMERRIRJIED-UHFFFAOYSA-N 1 2 349.822 1.956 20 30 EDEDLO O=C1C[C@]2(CN1)CCCN(C([O-])=[NH+]C[C@H]1CCc3[nH+]ccn3C1)C2 ZINC000329908949 444763940 /nfs/dbraw/zinc/76/39/40/444763940.db2.gz MEHAOYXFOKXCDC-DYVFJYSZSA-N 1 2 331.420 1.802 20 30 EDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(OC(F)F)c3)C[C@H]21 ZINC000329923617 444771246 /nfs/dbraw/zinc/77/12/46/444771246.db2.gz IQOZXFQPYRUXDH-OLZOCXBDSA-N 1 2 327.331 1.848 20 30 EDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3cccc(OC(F)F)c3)C[C@H]21 ZINC000329923617 444771250 /nfs/dbraw/zinc/77/12/50/444771250.db2.gz IQOZXFQPYRUXDH-OLZOCXBDSA-N 1 2 327.331 1.848 20 30 EDEDLO Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000329933568 444776061 /nfs/dbraw/zinc/77/60/61/444776061.db2.gz JHSYPIDMEMDNBY-CKEIUWERSA-N 1 2 336.436 1.621 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCOC[C@@H]1C[C@H](C)O)CCC2 ZINC000329835057 444734264 /nfs/dbraw/zinc/73/42/64/444734264.db2.gz HEXXQLLCNXYSOI-KKUMJFAQSA-N 1 2 336.436 1.455 20 30 EDEDLO CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc3c(c2)N(C)CCO3)C1 ZINC000329967631 444791865 /nfs/dbraw/zinc/79/18/65/444791865.db2.gz WHAGYGBLLHSCLR-CQSZACIVSA-N 1 2 333.436 1.087 20 30 EDEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc3c(c2)N(C)CCO3)C1 ZINC000329967631 444791867 /nfs/dbraw/zinc/79/18/67/444791867.db2.gz WHAGYGBLLHSCLR-CQSZACIVSA-N 1 2 333.436 1.087 20 30 EDEDLO CCN1CCN(C(=O)NCc2c(C)noc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329991114 444802208 /nfs/dbraw/zinc/80/22/08/444802208.db2.gz JOQCAMWLCITMNK-AWEZNQCLSA-N 1 2 332.408 1.807 20 30 EDEDLO CO[C@]1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CCOC1 ZINC000330001390 444805701 /nfs/dbraw/zinc/80/57/01/444805701.db2.gz AGNLCOHDKKVBEP-QGZVFWFLSA-N 1 2 346.387 1.793 20 30 EDEDLO C[C@H](CN1CCOCC1)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000330075013 444834850 /nfs/dbraw/zinc/83/48/50/444834850.db2.gz GAYMKMUKVDJMCB-ZBFHGGJFSA-N 1 2 325.453 1.307 20 30 EDEDLO C[C@H](CN1CCOCC1)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000330075013 444834855 /nfs/dbraw/zinc/83/48/55/444834855.db2.gz GAYMKMUKVDJMCB-ZBFHGGJFSA-N 1 2 325.453 1.307 20 30 EDEDLO C[C@@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)c1nnc2n1CCCC2 ZINC000330086841 444839570 /nfs/dbraw/zinc/83/95/70/444839570.db2.gz SKIIZHORVTYTAG-GFCCVEGCSA-N 1 2 343.435 1.840 20 30 EDEDLO Cc1nnc(-c2ccccc2C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)o1 ZINC000330054799 444827820 /nfs/dbraw/zinc/82/78/20/444827820.db2.gz SPGIZPMFUGMNCB-CYBMUJFWSA-N 1 2 343.431 1.986 20 30 EDEDLO CCc1nc(C)c(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)o1 ZINC000330205980 444888168 /nfs/dbraw/zinc/88/81/68/444888168.db2.gz CVCIZNWAYFCJHY-GXTWGEPZSA-N 1 2 336.436 1.754 20 30 EDEDLO CC[C@@H]1OCCC[C@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000330304698 444929625 /nfs/dbraw/zinc/92/96/25/444929625.db2.gz KNLQAMJOZDPRCF-CVEARBPZSA-N 1 2 347.463 1.760 20 30 EDEDLO CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000330307438 444930716 /nfs/dbraw/zinc/93/07/16/444930716.db2.gz SDGUMWLVQVLPKW-LSDHHAIUSA-N 1 2 332.404 1.120 20 30 EDEDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)C(=O)NCCF)CCC2 ZINC000330370329 444955762 /nfs/dbraw/zinc/95/57/62/444955762.db2.gz FCVLDQYBJVJDRV-NEPJUHHUSA-N 1 2 325.388 1.047 20 30 EDEDLO O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330307017 444930884 /nfs/dbraw/zinc/93/08/84/444930884.db2.gz LRADNIACTGAHHG-UPJWGTAASA-N 1 2 330.388 1.330 20 30 EDEDLO COCCCn1nccc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000338933665 444941716 /nfs/dbraw/zinc/94/17/16/444941716.db2.gz KTOKQWQQXRJDOG-UHFFFAOYSA-N 1 2 340.431 1.508 20 30 EDEDLO CN(C1CC[NH+](Cc2ccc(F)cc2C#N)CC1)S(C)(=O)=O ZINC000330540551 445025889 /nfs/dbraw/zinc/02/58/89/445025889.db2.gz SAHSLWXINSONKD-UHFFFAOYSA-N 1 2 325.409 1.553 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC[C@@H]21 ZINC000330545661 445028626 /nfs/dbraw/zinc/02/86/26/445028626.db2.gz KLGSXWNZXWBPTL-KEYYUXOJSA-N 1 2 335.452 1.122 20 30 EDEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC[C@@H]21 ZINC000330545661 445028629 /nfs/dbraw/zinc/02/86/29/445028629.db2.gz KLGSXWNZXWBPTL-KEYYUXOJSA-N 1 2 335.452 1.122 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+](C)C[C@H](C)C#N ZINC000330612108 445060523 /nfs/dbraw/zinc/06/05/23/445060523.db2.gz PUGFYWRIOHTQOT-HUUCEWRRSA-N 1 2 330.432 1.521 20 30 EDEDLO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+](C)C[C@H](C)C#N ZINC000330612108 445060527 /nfs/dbraw/zinc/06/05/27/445060527.db2.gz PUGFYWRIOHTQOT-HUUCEWRRSA-N 1 2 330.432 1.521 20 30 EDEDLO O=C(NCC#CCO)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000339183333 445076649 /nfs/dbraw/zinc/07/66/49/445076649.db2.gz DBLLUJUNOZKAKL-UHFFFAOYSA-N 1 2 339.395 1.269 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337441076 445082330 /nfs/dbraw/zinc/08/23/30/445082330.db2.gz GBYRRBPMGJXMEL-HZPDHXFCSA-N 1 2 339.457 1.274 20 30 EDEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337441076 445082333 /nfs/dbraw/zinc/08/23/33/445082333.db2.gz GBYRRBPMGJXMEL-HZPDHXFCSA-N 1 2 339.457 1.274 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000330701983 445103065 /nfs/dbraw/zinc/10/30/65/445103065.db2.gz IAXPJLBNRQKPOI-CHWSQXEVSA-N 1 2 339.461 1.801 20 30 EDEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000330701983 445103069 /nfs/dbraw/zinc/10/30/69/445103069.db2.gz IAXPJLBNRQKPOI-CHWSQXEVSA-N 1 2 339.461 1.801 20 30 EDEDLO COCC1(C#N)CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000341991782 445111713 /nfs/dbraw/zinc/11/17/13/445111713.db2.gz LZYVOIKWYAWJDR-QGZVFWFLSA-N 1 2 338.411 1.916 20 30 EDEDLO C=CCCc1ccccc1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000337586558 445152329 /nfs/dbraw/zinc/15/23/29/445152329.db2.gz FMNQXJIWZMQGMO-KRWDZBQOSA-N 1 2 347.459 1.962 20 30 EDEDLO C=CCCO[C@H](C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000347612033 445243385 /nfs/dbraw/zinc/24/33/85/445243385.db2.gz TXOQLPRQPZPRQE-GDBMZVCRSA-N 1 2 328.478 1.292 20 30 EDEDLO C=CC[N@H+](Cc1ccccc1F)CC1(O)CCS(=O)(=O)CC1 ZINC000348086240 445265254 /nfs/dbraw/zinc/26/52/54/445265254.db2.gz YBWCLWZTCLMMPD-UHFFFAOYSA-N 1 2 327.421 1.753 20 30 EDEDLO C=CC[N@@H+](Cc1ccccc1F)CC1(O)CCS(=O)(=O)CC1 ZINC000348086240 445265255 /nfs/dbraw/zinc/26/52/55/445265255.db2.gz YBWCLWZTCLMMPD-UHFFFAOYSA-N 1 2 327.421 1.753 20 30 EDEDLO CCN1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000348420306 445284386 /nfs/dbraw/zinc/28/43/86/445284386.db2.gz KMGKBIWFLIOXPT-CVEARBPZSA-N 1 2 338.415 1.187 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2c2cccnc2)nc1 ZINC000343686247 445302788 /nfs/dbraw/zinc/30/27/88/445302788.db2.gz ILAZDWVTISAIAC-MRXNPFEDSA-N 1 2 342.424 1.959 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2c2cccnc2)nc1 ZINC000343686247 445302791 /nfs/dbraw/zinc/30/27/91/445302791.db2.gz ILAZDWVTISAIAC-MRXNPFEDSA-N 1 2 342.424 1.959 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348759857 445365073 /nfs/dbraw/zinc/36/50/73/445365073.db2.gz DAWBKBAFFHIHAQ-VZDIDWBNSA-N 1 2 348.491 1.322 20 30 EDEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348759857 445365078 /nfs/dbraw/zinc/36/50/78/445365078.db2.gz DAWBKBAFFHIHAQ-VZDIDWBNSA-N 1 2 348.491 1.322 20 30 EDEDLO N#Cc1cnc2c(F)cc(F)cc2c1NCCC[N@@H+]1CCNC(=O)C1 ZINC000362648036 445478525 /nfs/dbraw/zinc/47/85/25/445478525.db2.gz JHSGMWCFKKKHFB-UHFFFAOYSA-N 1 2 345.353 1.618 20 30 EDEDLO N#Cc1cnc2c(F)cc(F)cc2c1NCCC[N@H+]1CCNC(=O)C1 ZINC000362648036 445478527 /nfs/dbraw/zinc/47/85/27/445478527.db2.gz JHSGMWCFKKKHFB-UHFFFAOYSA-N 1 2 345.353 1.618 20 30 EDEDLO CN(C)C(=O)NCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000348926911 445442881 /nfs/dbraw/zinc/44/28/81/445442881.db2.gz KVTQVDMNCJMSFA-UHFFFAOYSA-N 1 2 328.376 1.311 20 30 EDEDLO CN(C)C(=O)NCC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000348926911 445442883 /nfs/dbraw/zinc/44/28/83/445442883.db2.gz KVTQVDMNCJMSFA-UHFFFAOYSA-N 1 2 328.376 1.311 20 30 EDEDLO CCOC(=O)[C@@H]([NH2+]CCOc1ccccc1C#N)[C@H]1CCCOC1 ZINC000359832692 445451378 /nfs/dbraw/zinc/45/13/78/445451378.db2.gz LZGPKPZGGBIRFL-RDJZCZTQSA-N 1 2 332.400 1.885 20 30 EDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CCCCC1 ZINC000352687663 445547851 /nfs/dbraw/zinc/54/78/51/445547851.db2.gz ZWNIHZCXLUUSKR-QWHCGFSZSA-N 1 2 347.381 1.822 20 30 EDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CCCCC1 ZINC000352687663 445547853 /nfs/dbraw/zinc/54/78/53/445547853.db2.gz ZWNIHZCXLUUSKR-QWHCGFSZSA-N 1 2 347.381 1.822 20 30 EDEDLO CC[C@H](CC#N)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000358050737 445601147 /nfs/dbraw/zinc/60/11/47/445601147.db2.gz AJHNYOBNPOAWPZ-OAHLLOKOSA-N 1 2 331.416 1.870 20 30 EDEDLO CC[C@H](CC#N)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000358050737 445601150 /nfs/dbraw/zinc/60/11/50/445601150.db2.gz AJHNYOBNPOAWPZ-OAHLLOKOSA-N 1 2 331.416 1.870 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000363175754 445707821 /nfs/dbraw/zinc/70/78/21/445707821.db2.gz AOZAPADOCPVUET-DRZSPHRISA-N 1 2 332.429 1.677 20 30 EDEDLO N#Cc1ccsc1NC(=O)C[N@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000363175754 445707823 /nfs/dbraw/zinc/70/78/23/445707823.db2.gz AOZAPADOCPVUET-DRZSPHRISA-N 1 2 332.429 1.677 20 30 EDEDLO Cc1cc(C[N@H+]2C[C@H](F)C[C@@H]2CN(C)C(=O)NCCCC#N)on1 ZINC000349897103 445715270 /nfs/dbraw/zinc/71/52/70/445715270.db2.gz RMTOTKQZKFYORY-ZIAGYGMSSA-N 1 2 337.399 1.841 20 30 EDEDLO Cc1cc(C[N@@H+]2C[C@H](F)C[C@@H]2CN(C)C(=O)NCCCC#N)on1 ZINC000349897103 445715271 /nfs/dbraw/zinc/71/52/71/445715271.db2.gz RMTOTKQZKFYORY-ZIAGYGMSSA-N 1 2 337.399 1.841 20 30 EDEDLO CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349910890 445718808 /nfs/dbraw/zinc/71/88/08/445718808.db2.gz MWUNZEFHFGQUMT-INIZCTEOSA-N 1 2 347.463 1.700 20 30 EDEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3C#N)C2)no1 ZINC000361783711 445941448 /nfs/dbraw/zinc/94/14/48/445941448.db2.gz NNLZRKUBBUZMRO-CQSZACIVSA-N 1 2 342.359 1.869 20 30 EDEDLO Cc1nc(C[N@H+](C)[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3C#N)C2)no1 ZINC000361783711 445941452 /nfs/dbraw/zinc/94/14/52/445941452.db2.gz NNLZRKUBBUZMRO-CQSZACIVSA-N 1 2 342.359 1.869 20 30 EDEDLO C=CC(C)(C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000351084619 445988991 /nfs/dbraw/zinc/98/89/91/445988991.db2.gz QEUHBOOBNNDXDD-UHFFFAOYSA-N 1 2 341.415 1.983 20 30 EDEDLO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000354225080 446021007 /nfs/dbraw/zinc/02/10/07/446021007.db2.gz VCOLCLLVLGTBAJ-INIZCTEOSA-N 1 2 343.427 1.717 20 30 EDEDLO C=CCNC(=O)C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000354225080 446021013 /nfs/dbraw/zinc/02/10/13/446021013.db2.gz VCOLCLLVLGTBAJ-INIZCTEOSA-N 1 2 343.427 1.717 20 30 EDEDLO CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000354248908 446043644 /nfs/dbraw/zinc/04/36/44/446043644.db2.gz XQLFDNCLMRWDSK-LJQANCHMSA-N 1 2 342.443 1.010 20 30 EDEDLO CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000354248908 446043650 /nfs/dbraw/zinc/04/36/50/446043650.db2.gz XQLFDNCLMRWDSK-LJQANCHMSA-N 1 2 342.443 1.010 20 30 EDEDLO CC(C)OC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000583835604 326148654 /nfs/dbraw/zinc/14/86/54/326148654.db2.gz MIFDFFGHZHUGRI-UHFFFAOYSA-N 1 2 337.445 1.616 20 30 EDEDLO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3cscn3)CC2)cn1 ZINC000365261835 446109295 /nfs/dbraw/zinc/10/92/95/446109295.db2.gz ZCEYAJZTIZCURM-UHFFFAOYSA-N 1 2 327.413 1.804 20 30 EDEDLO CCOC(=O)CCC[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000369519285 446128373 /nfs/dbraw/zinc/12/83/73/446128373.db2.gz LUZFYANWTVDBAM-ACJLOTCBSA-N 1 2 327.384 1.675 20 30 EDEDLO CCOC(=O)CCC[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000369519285 446128375 /nfs/dbraw/zinc/12/83/75/446128375.db2.gz LUZFYANWTVDBAM-ACJLOTCBSA-N 1 2 327.384 1.675 20 30 EDEDLO CNS(=O)(=O)C1CC[NH+](Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000365438913 446206293 /nfs/dbraw/zinc/20/62/93/446206293.db2.gz RDSIUGFYTGGDCZ-UHFFFAOYSA-N 1 2 345.827 1.864 20 30 EDEDLO CCN1CCO[C@@H](C[NH+]2CCN(c3nccc(C)c3C#N)CC2)C1 ZINC000370351460 446242391 /nfs/dbraw/zinc/24/23/91/446242391.db2.gz PBBNTSHFSYFJGB-MRXNPFEDSA-N 1 2 329.448 1.104 20 30 EDEDLO Cc1cccc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)c1C#N ZINC000359469118 446242782 /nfs/dbraw/zinc/24/27/82/446242782.db2.gz ZHKAMBXVBKADNK-UHFFFAOYSA-N 1 2 333.351 1.769 20 30 EDEDLO C=CCOc1ccc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1Cl ZINC000366759988 446337898 /nfs/dbraw/zinc/33/78/98/446337898.db2.gz AVNUJFQHTWSRHD-GDBMZVCRSA-N 1 2 336.819 1.994 20 30 EDEDLO C=CCOc1ccc(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1Cl ZINC000366759988 446337901 /nfs/dbraw/zinc/33/79/01/446337901.db2.gz AVNUJFQHTWSRHD-GDBMZVCRSA-N 1 2 336.819 1.994 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)nc1 ZINC000370731445 446407223 /nfs/dbraw/zinc/40/72/23/446407223.db2.gz WVYGCMMAKBROHT-INIZCTEOSA-N 1 2 340.427 1.711 20 30 EDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)nc1 ZINC000370731445 446407228 /nfs/dbraw/zinc/40/72/28/446407228.db2.gz WVYGCMMAKBROHT-INIZCTEOSA-N 1 2 340.427 1.711 20 30 EDEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000374858426 446421209 /nfs/dbraw/zinc/42/12/09/446421209.db2.gz UITUFJQDNSVQBB-HOTGVXAUSA-N 1 2 349.456 1.086 20 30 EDEDLO C=CCOc1cccnc1C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000433101038 446533447 /nfs/dbraw/zinc/53/34/47/446533447.db2.gz ASZLVMCSHJYMDL-AWEZNQCLSA-N 1 2 341.415 1.889 20 30 EDEDLO Cc1cc(C#N)nc(NCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC000367714451 446577542 /nfs/dbraw/zinc/57/75/42/446577542.db2.gz BJXHMURMRWKUAD-GOSISDBHSA-N 1 2 336.443 2.057 20 30 EDEDLO Cc1cc(C#N)nc(NCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC000367714451 446577549 /nfs/dbraw/zinc/57/75/49/446577549.db2.gz BJXHMURMRWKUAD-GOSISDBHSA-N 1 2 336.443 2.057 20 30 EDEDLO C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000453884651 446696039 /nfs/dbraw/zinc/69/60/39/446696039.db2.gz XKFRNDRBMZOTQH-UHFFFAOYSA-N 1 2 346.431 1.494 20 30 EDEDLO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411905785 446715672 /nfs/dbraw/zinc/71/56/72/446715672.db2.gz CGVDDAJSDZMGKJ-SRVKXCTJSA-N 1 2 349.456 1.517 20 30 EDEDLO COC[C@@H]1C[C@H](O)C[N@H+]1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411905785 446715676 /nfs/dbraw/zinc/71/56/76/446715676.db2.gz CGVDDAJSDZMGKJ-SRVKXCTJSA-N 1 2 349.456 1.517 20 30 EDEDLO Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000375384817 446762286 /nfs/dbraw/zinc/76/22/86/446762286.db2.gz RMJHLSXXBNOPJN-MLGOLLRUSA-N 1 2 340.343 1.632 20 30 EDEDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000371333474 446783369 /nfs/dbraw/zinc/78/33/69/446783369.db2.gz AVNSXYPITSJBOT-QGZVFWFLSA-N 1 2 346.406 1.067 20 30 EDEDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000371333474 446783374 /nfs/dbraw/zinc/78/33/74/446783374.db2.gz AVNSXYPITSJBOT-QGZVFWFLSA-N 1 2 346.406 1.067 20 30 EDEDLO C=C(CC)C[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439278974 446812430 /nfs/dbraw/zinc/81/24/30/446812430.db2.gz SVTHPQBIZBRURY-UHFFFAOYSA-N 1 2 329.388 1.403 20 30 EDEDLO C[C@@H](O)[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC000412097714 446856387 /nfs/dbraw/zinc/85/63/87/446856387.db2.gz UABLUZZJYSVPIK-RISCZKNCSA-N 1 2 349.456 1.519 20 30 EDEDLO C[C@@H](O)[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC000412097714 446856395 /nfs/dbraw/zinc/85/63/95/446856395.db2.gz UABLUZZJYSVPIK-RISCZKNCSA-N 1 2 349.456 1.519 20 30 EDEDLO COc1cc(C[NH+]2CC(n3cc(C(C)(C)O)nn3)C2)ccc1C#N ZINC000375586827 446909389 /nfs/dbraw/zinc/90/93/89/446909389.db2.gz YIWJFJBYLZDSSH-UHFFFAOYSA-N 1 2 327.388 1.443 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000375639953 446945318 /nfs/dbraw/zinc/94/53/18/446945318.db2.gz NVCUKMGOSXHJEE-NSHDSACASA-N 1 2 334.426 1.572 20 30 EDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000375688117 446978608 /nfs/dbraw/zinc/97/86/08/446978608.db2.gz MDJHNJDVBQBPQQ-OAHLLOKOSA-N 1 2 337.445 1.423 20 30 EDEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000375688117 446978611 /nfs/dbraw/zinc/97/86/11/446978611.db2.gz MDJHNJDVBQBPQQ-OAHLLOKOSA-N 1 2 337.445 1.423 20 30 EDEDLO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000455397702 447117893 /nfs/dbraw/zinc/11/78/93/447117893.db2.gz CPNCZJXVFALVMD-SJORKVTESA-N 1 2 333.407 1.996 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000368763430 447090318 /nfs/dbraw/zinc/09/03/18/447090318.db2.gz SNXGLBNHCZZOMI-AWEZNQCLSA-N 1 2 348.403 1.064 20 30 EDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000368763430 447090327 /nfs/dbraw/zinc/09/03/27/447090327.db2.gz SNXGLBNHCZZOMI-AWEZNQCLSA-N 1 2 348.403 1.064 20 30 EDEDLO CC(C)(C)N1CC[C@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)C1=O ZINC000425400656 447147073 /nfs/dbraw/zinc/14/70/73/447147073.db2.gz CVZKKNBXINIUHY-HNNXBMFYSA-N 1 2 327.432 1.475 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CCO2 ZINC000375922190 447151591 /nfs/dbraw/zinc/15/15/91/447151591.db2.gz VGJULOMYHHTINR-MAUKXSAKSA-N 1 2 335.448 1.551 20 30 EDEDLO C[C@@H]1OCC[C@@]12C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CCO2 ZINC000375922190 447151597 /nfs/dbraw/zinc/15/15/97/447151597.db2.gz VGJULOMYHHTINR-MAUKXSAKSA-N 1 2 335.448 1.551 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000377558390 447203246 /nfs/dbraw/zinc/20/32/46/447203246.db2.gz IKNQTIRJLMEJDQ-AWEZNQCLSA-N 1 2 344.806 1.906 20 30 EDEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000377558390 447203251 /nfs/dbraw/zinc/20/32/51/447203251.db2.gz IKNQTIRJLMEJDQ-AWEZNQCLSA-N 1 2 344.806 1.906 20 30 EDEDLO N#CC1(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CCCCC1 ZINC000447666398 447284876 /nfs/dbraw/zinc/28/48/76/447284876.db2.gz AWHRUEJDCCTMQS-UHFFFAOYSA-N 1 2 340.427 1.943 20 30 EDEDLO N#CC1(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CCCCC1 ZINC000447666398 447284881 /nfs/dbraw/zinc/28/48/81/447284881.db2.gz AWHRUEJDCCTMQS-UHFFFAOYSA-N 1 2 340.427 1.943 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(C(=O)N2CCCC2)cc1 ZINC000414136717 447275725 /nfs/dbraw/zinc/27/57/25/447275725.db2.gz DOFATTJKVMXJOA-MRXNPFEDSA-N 1 2 331.416 1.508 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C(=O)N2CCCC2)cc1 ZINC000414136717 447275732 /nfs/dbraw/zinc/27/57/32/447275732.db2.gz DOFATTJKVMXJOA-MRXNPFEDSA-N 1 2 331.416 1.508 20 30 EDEDLO C=C(C)CNC(=O)N1CCO[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000448011361 447301767 /nfs/dbraw/zinc/30/17/67/447301767.db2.gz PKVXKDODQXOYCV-AWEZNQCLSA-N 1 2 341.452 1.246 20 30 EDEDLO C=C(C)CNC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000448011361 447301772 /nfs/dbraw/zinc/30/17/72/447301772.db2.gz PKVXKDODQXOYCV-AWEZNQCLSA-N 1 2 341.452 1.246 20 30 EDEDLO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000422526659 447615028 /nfs/dbraw/zinc/61/50/28/447615028.db2.gz KFACDROYEOYMAF-QGZVFWFLSA-N 1 2 341.455 1.597 20 30 EDEDLO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000429021509 447721687 /nfs/dbraw/zinc/72/16/87/447721687.db2.gz QPQONNFEIDFLIT-RBSFLKMASA-N 1 2 335.429 1.030 20 30 EDEDLO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000430096607 447766076 /nfs/dbraw/zinc/76/60/76/447766076.db2.gz GTMRZNIBSHFENH-HIFRSBDPSA-N 1 2 335.429 1.805 20 30 EDEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000430410402 447773299 /nfs/dbraw/zinc/77/32/99/447773299.db2.gz WHYFMLMCSGOGJL-ZBFHGGJFSA-N 1 2 346.431 1.144 20 30 EDEDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000451929885 447788066 /nfs/dbraw/zinc/78/80/66/447788066.db2.gz OSJRWWDUUKUVEC-SNVBAGLBSA-N 1 2 349.372 1.722 20 30 EDEDLO C=CCC[C@H]1NC(=O)N(c2ccc(N3CCOCC3)[nH+]c2C)C1=O ZINC000575773861 447895799 /nfs/dbraw/zinc/89/57/99/447895799.db2.gz RTWYCTDTUOKKPY-CYBMUJFWSA-N 1 2 330.388 1.618 20 30 EDEDLO CSc1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000575812348 447905164 /nfs/dbraw/zinc/90/51/64/447905164.db2.gz LDVZWJDFXWAIRY-CQSZACIVSA-N 1 2 349.456 1.206 20 30 EDEDLO Cc1[nH+]c2ccc(C(=O)NC[C@H]3CCCN(CC#N)C3)cc2n1C ZINC000530539857 447909778 /nfs/dbraw/zinc/90/97/78/447909778.db2.gz UQNHJLOWMRKQDB-CQSZACIVSA-N 1 2 325.416 1.847 20 30 EDEDLO CC1CCC(NC(=O)C[NH+]2CCN(c3cccnc3C#N)CC2)CC1 ZINC000570135427 447950046 /nfs/dbraw/zinc/95/00/46/447950046.db2.gz PLDQGJBQZUDTBE-UHFFFAOYSA-N 1 2 341.459 1.770 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000569977712 447930441 /nfs/dbraw/zinc/93/04/41/447930441.db2.gz OXFDPXDIOHKFRV-QGZVFWFLSA-N 1 2 349.456 1.900 20 30 EDEDLO C#C[C@H]1COCCN1C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000491438574 448028521 /nfs/dbraw/zinc/02/85/21/448028521.db2.gz DOWHAFOJUATYPM-KRWDZBQOSA-N 1 2 336.395 1.871 20 30 EDEDLO Cc1nnc([C@@H]2CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000570780297 448061926 /nfs/dbraw/zinc/06/19/26/448061926.db2.gz VYTRMBTWWCYCGG-ZBFHGGJFSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1nnc([C@@H]2CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)[nH]1 ZINC000570780297 448061932 /nfs/dbraw/zinc/06/19/32/448061932.db2.gz VYTRMBTWWCYCGG-ZBFHGGJFSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000570780297 448061942 /nfs/dbraw/zinc/06/19/42/448061942.db2.gz VYTRMBTWWCYCGG-ZBFHGGJFSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1n[nH]c([C@@H]2CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000570780297 448061947 /nfs/dbraw/zinc/06/19/47/448061947.db2.gz VYTRMBTWWCYCGG-ZBFHGGJFSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1nc([C@@H]2CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000570780297 448061953 /nfs/dbraw/zinc/06/19/53/448061953.db2.gz VYTRMBTWWCYCGG-ZBFHGGJFSA-N 1 2 336.399 1.580 20 30 EDEDLO Cc1nc([C@@H]2CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 ZINC000570780297 448061962 /nfs/dbraw/zinc/06/19/62/448061962.db2.gz VYTRMBTWWCYCGG-ZBFHGGJFSA-N 1 2 336.399 1.580 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000570687874 448051617 /nfs/dbraw/zinc/05/16/17/448051617.db2.gz QPMHZKCNDUFDGY-LJQANCHMSA-N 1 2 344.459 1.923 20 30 EDEDLO C#C[C@H](CCC)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000491647427 448070515 /nfs/dbraw/zinc/07/05/15/448070515.db2.gz XJDMOTQGBXUFMP-CQSZACIVSA-N 1 2 343.431 1.393 20 30 EDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H]2CC3(CCC3)C(=O)O2)n1 ZINC000491719002 448088314 /nfs/dbraw/zinc/08/83/14/448088314.db2.gz XKAQAXDOPRDSRN-INIZCTEOSA-N 1 2 331.416 1.451 20 30 EDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H]2CC3(CCC3)C(=O)O2)n1 ZINC000491719002 448088321 /nfs/dbraw/zinc/08/83/21/448088321.db2.gz XKAQAXDOPRDSRN-INIZCTEOSA-N 1 2 331.416 1.451 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CNc2cnn(-c3ccccc3F)c2)CC1 ZINC000491740084 448095974 /nfs/dbraw/zinc/09/59/74/448095974.db2.gz JLIUEGJNSNUWTM-UHFFFAOYSA-N 1 2 341.390 1.201 20 30 EDEDLO C#C[C@H]1COCC[N@H+]1CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000491617529 448066240 /nfs/dbraw/zinc/06/62/40/448066240.db2.gz KKOOMMFVNUAGFT-AWEZNQCLSA-N 1 2 348.399 1.375 20 30 EDEDLO C#C[C@H]1COCC[N@@H+]1CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000491617529 448066245 /nfs/dbraw/zinc/06/62/45/448066245.db2.gz KKOOMMFVNUAGFT-AWEZNQCLSA-N 1 2 348.399 1.375 20 30 EDEDLO C#CC[C@@H](C)NC(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000491949749 448155093 /nfs/dbraw/zinc/15/50/93/448155093.db2.gz VTWPSAPUCBJHGF-CQSZACIVSA-N 1 2 338.452 1.250 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000491787924 448123186 /nfs/dbraw/zinc/12/31/86/448123186.db2.gz YGXMQBAAKJPIHV-GUYCJALGSA-N 1 2 341.411 1.811 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000491787924 448123193 /nfs/dbraw/zinc/12/31/93/448123193.db2.gz YGXMQBAAKJPIHV-GUYCJALGSA-N 1 2 341.411 1.811 20 30 EDEDLO C#C[C@H](C)[N@@H+](C)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000491787924 448123198 /nfs/dbraw/zinc/12/31/98/448123198.db2.gz YGXMQBAAKJPIHV-GUYCJALGSA-N 1 2 341.411 1.811 20 30 EDEDLO C#C[C@H](C)[N@H+](C)CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000491787924 448123204 /nfs/dbraw/zinc/12/32/04/448123204.db2.gz YGXMQBAAKJPIHV-GUYCJALGSA-N 1 2 341.411 1.811 20 30 EDEDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)s1 ZINC000582665762 448306428 /nfs/dbraw/zinc/30/64/28/448306428.db2.gz AAXCACDIPUYLED-VIFPVBQESA-N 1 2 342.384 1.695 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000577480916 448307399 /nfs/dbraw/zinc/30/73/99/448307399.db2.gz UADLDUHNVURUQR-OAHLLOKOSA-N 1 2 334.441 1.711 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000577480916 448307404 /nfs/dbraw/zinc/30/74/04/448307404.db2.gz UADLDUHNVURUQR-OAHLLOKOSA-N 1 2 334.441 1.711 20 30 EDEDLO CO[C@H](C)C(=O)Nc1cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c1 ZINC000563004948 448279331 /nfs/dbraw/zinc/27/93/31/448279331.db2.gz BEQYRADAYZNFEG-CZUORRHYSA-N 1 2 334.420 1.278 20 30 EDEDLO CO[C@H](C)C(=O)Nc1cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c1 ZINC000563004948 448279335 /nfs/dbraw/zinc/27/93/35/448279335.db2.gz BEQYRADAYZNFEG-CZUORRHYSA-N 1 2 334.420 1.278 20 30 EDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000563220354 448291359 /nfs/dbraw/zinc/29/13/59/448291359.db2.gz LOOVNPVWDPOLBH-MRXNPFEDSA-N 1 2 333.342 1.724 20 30 EDEDLO COc1c(C)[nH+]c(C2CC2)nc1N(C)CCCc1[nH]nc(N)c1C#N ZINC000565550344 448372100 /nfs/dbraw/zinc/37/21/00/448372100.db2.gz WIHPIQJQCYJWLZ-UHFFFAOYSA-N 1 2 341.419 1.917 20 30 EDEDLO N#CCC(=O)N1CC[NH+](CCCn2c(=O)[nH]c3ccccc32)CC1 ZINC000565167090 448357741 /nfs/dbraw/zinc/35/77/41/448357741.db2.gz WOWYZJCQNTVPLQ-UHFFFAOYSA-N 1 2 327.388 1.190 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@H](Nc2ncc(C#N)cc2Cl)C1=O ZINC000577912322 448415029 /nfs/dbraw/zinc/41/50/29/448415029.db2.gz VKDYTXWVMWWLEM-ZDUSSCGKSA-N 1 2 344.806 1.943 20 30 EDEDLO C=CCNC(=O)C[NH+]1CCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000583094319 448423983 /nfs/dbraw/zinc/42/39/83/448423983.db2.gz LYAXSASHTSDGQE-UHFFFAOYSA-N 1 2 334.370 1.920 20 30 EDEDLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ncc(C#N)cc1C)C2 ZINC000566343187 448448446 /nfs/dbraw/zinc/44/84/46/448448446.db2.gz NANVNWKFPAMHLH-AWEZNQCLSA-N 1 2 339.399 1.046 20 30 EDEDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000566443331 448472466 /nfs/dbraw/zinc/47/24/66/448472466.db2.gz ZPZBSJUPEVIIND-MAUKXSAKSA-N 1 2 337.427 1.825 20 30 EDEDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000566443331 448472469 /nfs/dbraw/zinc/47/24/69/448472469.db2.gz ZPZBSJUPEVIIND-MAUKXSAKSA-N 1 2 337.427 1.825 20 30 EDEDLO C[C@H]1C[N@H+]([C@@H](CNc2ncncc2C#N)c2cccs2)CCO1 ZINC000516923858 448497676 /nfs/dbraw/zinc/49/76/76/448497676.db2.gz ZBARYIJEWBUTNF-JSGCOSHPSA-N 1 2 329.429 1.706 20 30 EDEDLO C[C@H]1C[N@@H+]([C@@H](CNc2ncncc2C#N)c2cccs2)CCO1 ZINC000516923858 448497668 /nfs/dbraw/zinc/49/76/68/448497668.db2.gz ZBARYIJEWBUTNF-JSGCOSHPSA-N 1 2 329.429 1.706 20 30 EDEDLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000591899823 448556612 /nfs/dbraw/zinc/55/66/12/448556612.db2.gz FQMUUYWONGZGAZ-MAUKXSAKSA-N 1 2 339.399 1.570 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc2cccnc2[nH]1 ZINC000517885987 448625667 /nfs/dbraw/zinc/62/56/67/448625667.db2.gz IMTJTGUXQQASAK-UHFFFAOYSA-N 1 2 327.388 1.251 20 30 EDEDLO CCOC(=O)c1ccc(N2CC([NH2+]C[C@@H](C#N)CCC#N)C2)nc1 ZINC000578642506 448602745 /nfs/dbraw/zinc/60/27/45/448602745.db2.gz MBJLFNVHNZOYMD-CYBMUJFWSA-N 1 2 327.388 1.480 20 30 EDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(OC(F)F)c1 ZINC000567219104 448640242 /nfs/dbraw/zinc/64/02/42/448640242.db2.gz HRCFSDRZYAJBAE-STQMWFEESA-N 1 2 337.326 1.249 20 30 EDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(OC(F)F)c1 ZINC000567219104 448640246 /nfs/dbraw/zinc/64/02/46/448640246.db2.gz HRCFSDRZYAJBAE-STQMWFEESA-N 1 2 337.326 1.249 20 30 EDEDLO Cn1cc(-c2ccc(F)c(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2)cn1 ZINC000567239306 448647907 /nfs/dbraw/zinc/64/79/07/448647907.db2.gz QUOPTTRINIYKFS-KRWDZBQOSA-N 1 2 329.379 1.800 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccn(Cc2ccccc2)c1=O ZINC000578753860 448627790 /nfs/dbraw/zinc/62/77/90/448627790.db2.gz IIFISGWCGFCQGS-IBGZPJMESA-N 1 2 338.411 1.470 20 30 EDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000592148556 448709401 /nfs/dbraw/zinc/70/94/01/448709401.db2.gz ZMLNPDAPSPRIHR-INIZCTEOSA-N 1 2 345.428 1.282 20 30 EDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000592148556 448709406 /nfs/dbraw/zinc/70/94/06/448709406.db2.gz ZMLNPDAPSPRIHR-INIZCTEOSA-N 1 2 345.428 1.282 20 30 EDEDLO CS(=O)(=O)c1ccc(OCCC[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592150977 448712242 /nfs/dbraw/zinc/71/22/42/448712242.db2.gz LIBUHUNVHFSLNC-INIZCTEOSA-N 1 2 338.429 1.209 20 30 EDEDLO CS(=O)(=O)c1ccc(OCCC[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592150977 448712246 /nfs/dbraw/zinc/71/22/46/448712246.db2.gz LIBUHUNVHFSLNC-INIZCTEOSA-N 1 2 338.429 1.209 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152484 448713128 /nfs/dbraw/zinc/71/31/28/448713128.db2.gz YAJAOFSXISIKQQ-FZKQIMNGSA-N 1 2 339.399 1.754 20 30 EDEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152484 448713131 /nfs/dbraw/zinc/71/31/31/448713131.db2.gz YAJAOFSXISIKQQ-FZKQIMNGSA-N 1 2 339.399 1.754 20 30 EDEDLO N#C[C@H]1CC[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000567726304 448749462 /nfs/dbraw/zinc/74/94/62/448749462.db2.gz SMJRCELXUBXTMS-LZWOXQAQSA-N 1 2 338.477 1.186 20 30 EDEDLO Cn1cc[nH+]c1CN1CCC[C@H](NC(=O)C2(C#N)CCCCC2)C1=O ZINC000544011489 448752488 /nfs/dbraw/zinc/75/24/88/448752488.db2.gz DFRFPNIPNXZGAB-AWEZNQCLSA-N 1 2 343.431 1.501 20 30 EDEDLO CC1(C#N)CN(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000519651273 448812603 /nfs/dbraw/zinc/81/26/03/448812603.db2.gz XVKPPQSTKKGERD-UHFFFAOYSA-N 1 2 346.862 1.830 20 30 EDEDLO COCc1nnc(-c2cccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c2)o1 ZINC000519699598 448822739 /nfs/dbraw/zinc/82/27/39/448822739.db2.gz HGPASIDCKQVVKZ-KRWDZBQOSA-N 1 2 343.387 1.457 20 30 EDEDLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCN(C(=O)CC#N)CC1 ZINC000519724907 448828213 /nfs/dbraw/zinc/82/82/13/448828213.db2.gz KHKDTUOCPOKSPY-UHFFFAOYSA-N 1 2 339.399 1.183 20 30 EDEDLO Cc1cc(C#N)cc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)n1 ZINC000587872900 448846834 /nfs/dbraw/zinc/84/68/34/448846834.db2.gz KYIOMFKJEVTHHZ-HNNXBMFYSA-N 1 2 341.459 1.831 20 30 EDEDLO COC(=O)c1cccc2c1C[N@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000592523887 448877333 /nfs/dbraw/zinc/87/73/33/448877333.db2.gz AGBYNRSQLPDASR-UHFFFAOYSA-N 1 2 347.378 1.946 20 30 EDEDLO COC(=O)c1cccc2c1C[N@@H+](Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000592523887 448877337 /nfs/dbraw/zinc/87/73/37/448877337.db2.gz AGBYNRSQLPDASR-UHFFFAOYSA-N 1 2 347.378 1.946 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000520528512 448906996 /nfs/dbraw/zinc/90/69/96/448906996.db2.gz BCQGPNJRUVYRAJ-CYBMUJFWSA-N 1 2 334.445 1.010 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000547971088 448955022 /nfs/dbraw/zinc/95/50/22/448955022.db2.gz FAMWWFHCKOKLBL-YGRLFVJLSA-N 1 2 331.441 1.892 20 30 EDEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000547971088 448955027 /nfs/dbraw/zinc/95/50/27/448955027.db2.gz FAMWWFHCKOKLBL-YGRLFVJLSA-N 1 2 331.441 1.892 20 30 EDEDLO COCc1ccc(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)cc1C#N ZINC000529815654 448969811 /nfs/dbraw/zinc/96/98/11/448969811.db2.gz FIGNLDFQDOSHTI-MRXNPFEDSA-N 1 2 327.388 1.680 20 30 EDEDLO N#CCc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)c1 ZINC000588842620 448937037 /nfs/dbraw/zinc/93/70/37/448937037.db2.gz BCQUYHCZDZGJJV-HNNXBMFYSA-N 1 2 339.399 1.778 20 30 EDEDLO N#CCc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)c1 ZINC000588842620 448937046 /nfs/dbraw/zinc/93/70/46/448937046.db2.gz BCQUYHCZDZGJJV-HNNXBMFYSA-N 1 2 339.399 1.778 20 30 EDEDLO Cc1sc2ncn(CC(=O)N[C@@](C)(C#N)C[NH+](C)C)c(=O)c2c1C ZINC000580080786 448938737 /nfs/dbraw/zinc/93/87/37/448938737.db2.gz RKTWKZAPHUSIET-INIZCTEOSA-N 1 2 347.444 1.035 20 30 EDEDLO C[N@H+](CCC#N)C[C@@H](O)CN[C@H](CO)c1c(Cl)cccc1Cl ZINC000582063047 449002734 /nfs/dbraw/zinc/00/27/34/449002734.db2.gz NAGHWQHVXKDLRL-SMDDNHRTSA-N 1 2 346.258 1.823 20 30 EDEDLO C[N@@H+](CCC#N)C[C@@H](O)CN[C@H](CO)c1c(Cl)cccc1Cl ZINC000582063047 449002739 /nfs/dbraw/zinc/00/27/39/449002739.db2.gz NAGHWQHVXKDLRL-SMDDNHRTSA-N 1 2 346.258 1.823 20 30 EDEDLO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000589513073 449028520 /nfs/dbraw/zinc/02/85/20/449028520.db2.gz VVTYWNGLYDXZOH-OAHLLOKOSA-N 1 2 345.428 1.186 20 30 EDEDLO N#Cc1cnn2cc(CN3CC[NH+](Cc4ccncc4)CC3)cnc12 ZINC000569556854 449041354 /nfs/dbraw/zinc/04/13/54/449041354.db2.gz LKHYTPUZKSSPBD-UHFFFAOYSA-N 1 2 333.399 1.314 20 30 EDEDLO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cscn2)CC1 ZINC000595669158 449109854 /nfs/dbraw/zinc/10/98/54/449109854.db2.gz SCSSARBMUBBQHJ-ZFWWWQNUSA-N 1 2 335.477 1.486 20 30 EDEDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(O)cc(C#N)c1)C(C)(C)CO ZINC000597847031 449121059 /nfs/dbraw/zinc/12/10/59/449121059.db2.gz NKFOMKIXRUTRJD-AWEZNQCLSA-N 1 2 328.372 1.487 20 30 EDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCCn1c2ccccc2oc1=O ZINC000593155685 449154500 /nfs/dbraw/zinc/15/45/00/449154500.db2.gz SHWWKAFQHVYXNO-KRWDZBQOSA-N 1 2 330.388 1.335 20 30 EDEDLO N#Cc1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cnc1C(F)(F)F ZINC000590374883 449138992 /nfs/dbraw/zinc/13/89/92/449138992.db2.gz PUDHMDHCYRJRJW-NSHDSACASA-N 1 2 335.289 1.913 20 30 EDEDLO COc1cc(NC(=O)C(=O)N[C@@H](C)c2[nH+]ccn2C)c(F)cc1C#N ZINC000599998803 449143838 /nfs/dbraw/zinc/14/38/38/449143838.db2.gz AFICBLGXJNWYEJ-VIFPVBQESA-N 1 2 345.334 1.255 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595748619 449146661 /nfs/dbraw/zinc/14/66/61/449146661.db2.gz BKBXOBCBIVEARN-KRWDZBQOSA-N 1 2 334.441 1.569 20 30 EDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595748619 449146665 /nfs/dbraw/zinc/14/66/65/449146665.db2.gz BKBXOBCBIVEARN-KRWDZBQOSA-N 1 2 334.441 1.569 20 30 EDEDLO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(CCC#N)CC2)c1 ZINC000611174696 449200614 /nfs/dbraw/zinc/20/06/14/449200614.db2.gz KZZOODRWNBKIIA-CQSZACIVSA-N 1 2 343.431 1.503 20 30 EDEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(CCC#N)CC1 ZINC000611174383 449201244 /nfs/dbraw/zinc/20/12/44/449201244.db2.gz HPJCGZIVPGBFIE-HWWITLHISA-N 1 2 344.503 1.991 20 30 EDEDLO N#CCc1ccc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000601887972 449206509 /nfs/dbraw/zinc/20/65/09/449206509.db2.gz KPOCBTIVYNJPAD-UHFFFAOYSA-N 1 2 335.411 1.543 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000611194942 449210902 /nfs/dbraw/zinc/21/09/02/449210902.db2.gz PHLXOPWLKAPTDN-VHSXEESVSA-N 1 2 347.444 1.178 20 30 EDEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000611194942 449210907 /nfs/dbraw/zinc/21/09/07/449210907.db2.gz PHLXOPWLKAPTDN-VHSXEESVSA-N 1 2 347.444 1.178 20 30 EDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1Cl ZINC000601968475 449251913 /nfs/dbraw/zinc/25/19/13/449251913.db2.gz LWFDTMWSJZRFOS-LLVKDONJSA-N 1 2 336.804 1.701 20 30 EDEDLO N#CC1(Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CCC1 ZINC000590724907 449259732 /nfs/dbraw/zinc/25/97/32/449259732.db2.gz RUIQCMNIIUMCJL-MRXNPFEDSA-N 1 2 338.415 1.940 20 30 EDEDLO N#CC1(Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CCC1 ZINC000590724907 449259738 /nfs/dbraw/zinc/25/97/38/449259738.db2.gz RUIQCMNIIUMCJL-MRXNPFEDSA-N 1 2 338.415 1.940 20 30 EDEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(CC)CC(=O)NCc1cccs1 ZINC000594009625 449321037 /nfs/dbraw/zinc/32/10/37/449321037.db2.gz GDYNJWRRVVFLLY-CYBMUJFWSA-N 1 2 336.461 1.495 20 30 EDEDLO CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000596070281 449346970 /nfs/dbraw/zinc/34/69/70/449346970.db2.gz QDJRNCMCFRKBAL-OALUTQOASA-N 1 2 325.460 1.836 20 30 EDEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000602104466 449348430 /nfs/dbraw/zinc/34/84/30/449348430.db2.gz ZXFFWEMNLPWXMN-INIZCTEOSA-N 1 2 339.399 2.018 20 30 EDEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000602104466 449348435 /nfs/dbraw/zinc/34/84/35/449348435.db2.gz ZXFFWEMNLPWXMN-INIZCTEOSA-N 1 2 339.399 2.018 20 30 EDEDLO Cn1ncc(C#N)c1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000596090369 449358135 /nfs/dbraw/zinc/35/81/35/449358135.db2.gz QDEUERRSWXRSLI-UHFFFAOYSA-N 1 2 341.415 1.615 20 30 EDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(C(=O)N2CCCC2)c1 ZINC000596039640 449331909 /nfs/dbraw/zinc/33/19/09/449331909.db2.gz RSLUQGQRQAZJIO-INIZCTEOSA-N 1 2 331.416 1.508 20 30 EDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(C(=O)N2CCCC2)c1 ZINC000596039640 449331911 /nfs/dbraw/zinc/33/19/11/449331911.db2.gz RSLUQGQRQAZJIO-INIZCTEOSA-N 1 2 331.416 1.508 20 30 EDEDLO Cc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596153153 449387821 /nfs/dbraw/zinc/38/78/21/449387821.db2.gz ONAVQLSDRVNAMB-UHFFFAOYSA-N 1 2 331.376 1.161 20 30 EDEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000598594855 449480919 /nfs/dbraw/zinc/48/09/19/449480919.db2.gz FFXRYQWEFSLELS-AWEZNQCLSA-N 1 2 331.416 1.451 20 30 EDEDLO Cc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1-c1cnn(C)c1 ZINC000602333732 449522142 /nfs/dbraw/zinc/52/21/42/449522142.db2.gz OVJCJEPNDORHIL-GOSISDBHSA-N 1 2 325.416 1.969 20 30 EDEDLO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000598728871 449566845 /nfs/dbraw/zinc/56/68/45/449566845.db2.gz FLKHKAFNRWFFBE-KBPBESRZSA-N 1 2 330.388 1.660 20 30 EDEDLO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](CO)c1nc(-c2ccccc2)no1 ZINC000598728873 449566919 /nfs/dbraw/zinc/56/69/19/449566919.db2.gz FLKHKAFNRWFFBE-UONOGXRCSA-N 1 2 330.388 1.660 20 30 EDEDLO C[C@H](C#N)CN(C)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000602403460 449568775 /nfs/dbraw/zinc/56/87/75/449568775.db2.gz YKIDUQLLPGFJSE-CYBMUJFWSA-N 1 2 333.461 1.936 20 30 EDEDLO Cn1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])n1 ZINC000602436622 449585486 /nfs/dbraw/zinc/58/54/86/449585486.db2.gz YAYQUDCIJXXBFS-UHFFFAOYSA-N 1 2 340.387 1.518 20 30 EDEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596581452 449560219 /nfs/dbraw/zinc/56/02/19/449560219.db2.gz OTZPUUYDWNEGLI-SJLPKXTDSA-N 1 2 340.427 1.662 20 30 EDEDLO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000598723090 449563836 /nfs/dbraw/zinc/56/38/36/449563836.db2.gz DPIMHPUWHWKAKZ-OAHLLOKOSA-N 1 2 331.395 1.856 20 30 EDEDLO C[C@@H]1C[N@H+](CCNC(=O)NCCc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000596671034 449598195 /nfs/dbraw/zinc/59/81/95/449598195.db2.gz XJWCUMMQHPIHGZ-HUUCEWRRSA-N 1 2 330.432 1.509 20 30 EDEDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000596671034 449598200 /nfs/dbraw/zinc/59/82/00/449598200.db2.gz XJWCUMMQHPIHGZ-HUUCEWRRSA-N 1 2 330.432 1.509 20 30 EDEDLO N#CC1(Cn2cc(C[NH2+][C@H]3CCS(=O)(=O)C3)nn2)CCCCC1 ZINC000594658552 449612359 /nfs/dbraw/zinc/61/23/59/449612359.db2.gz VARWNLVRCZOCEY-ZDUSSCGKSA-N 1 2 337.449 1.029 20 30 EDEDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCC3(C#N)CCCCC3)C2)CC1 ZINC000596865589 449695845 /nfs/dbraw/zinc/69/58/45/449695845.db2.gz DGCMXDSQXKSOFC-KRWDZBQOSA-N 1 2 347.507 1.882 20 30 EDEDLO CCc1nc(C#N)cc(NCc2cc[nH+]c(N3CCSCC3)c2)n1 ZINC000601240751 449768682 /nfs/dbraw/zinc/76/86/82/449768682.db2.gz PJMLUMRNQPOVJT-UHFFFAOYSA-N 1 2 340.456 2.471 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000599192269 449790057 /nfs/dbraw/zinc/79/00/57/449790057.db2.gz FOOSKXIYSSOYDV-QGZVFWFLSA-N 1 2 346.431 1.047 20 30 EDEDLO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000599192269 449790063 /nfs/dbraw/zinc/79/00/63/449790063.db2.gz FOOSKXIYSSOYDV-QGZVFWFLSA-N 1 2 346.431 1.047 20 30 EDEDLO COCCn1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)cn1 ZINC000597182589 449858426 /nfs/dbraw/zinc/85/84/26/449858426.db2.gz DQCSTVSTQHZKJD-UHFFFAOYSA-N 1 2 331.445 1.785 20 30 EDEDLO COc1ccccc1CN(C)C(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856558 449864536 /nfs/dbraw/zinc/86/45/36/449864536.db2.gz KQFIDMFMXKDFGM-IYBDPMFKSA-N 1 2 344.459 1.572 20 30 EDEDLO COc1ccccc1CN(C)C(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856558 449864543 /nfs/dbraw/zinc/86/45/43/449864543.db2.gz KQFIDMFMXKDFGM-IYBDPMFKSA-N 1 2 344.459 1.572 20 30 EDEDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)N1CC#N ZINC000602856669 449864732 /nfs/dbraw/zinc/86/47/32/449864732.db2.gz MAMQORNRGWOSKN-BETUJISGSA-N 1 2 346.387 1.879 20 30 EDEDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)N1CC#N ZINC000602856669 449864737 /nfs/dbraw/zinc/86/47/37/449864737.db2.gz MAMQORNRGWOSKN-BETUJISGSA-N 1 2 346.387 1.879 20 30 EDEDLO C[C@H](NC(=O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(F)cc1 ZINC000602858638 449867202 /nfs/dbraw/zinc/86/72/02/449867202.db2.gz UDWVUWCKKBLKBD-ZNMIVQPWSA-N 1 2 332.423 1.921 20 30 EDEDLO C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccc(F)cc1 ZINC000602858638 449867208 /nfs/dbraw/zinc/86/72/08/449867208.db2.gz UDWVUWCKKBLKBD-ZNMIVQPWSA-N 1 2 332.423 1.921 20 30 EDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000602864311 449873776 /nfs/dbraw/zinc/87/37/76/449873776.db2.gz QZYUEENIZRUGTR-AWEZNQCLSA-N 1 2 328.416 1.755 20 30 EDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000602865454 449875459 /nfs/dbraw/zinc/87/54/59/449875459.db2.gz VMMKJWXLCKQTEM-AWEZNQCLSA-N 1 2 329.404 1.254 20 30 EDEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000614925258 449879781 /nfs/dbraw/zinc/87/97/81/449879781.db2.gz XQYLRCOYDBLWBJ-KGLIPLIRSA-N 1 2 333.354 1.838 20 30 EDEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000614925258 449879788 /nfs/dbraw/zinc/87/97/88/449879788.db2.gz XQYLRCOYDBLWBJ-KGLIPLIRSA-N 1 2 333.354 1.838 20 30 EDEDLO C[N@@H+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C(C)(C)C ZINC000602872954 449881481 /nfs/dbraw/zinc/88/14/81/449881481.db2.gz FCUZVCADVJFZGZ-KRWDZBQOSA-N 1 2 349.500 1.994 20 30 EDEDLO C[N@H+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C(C)(C)C ZINC000602872954 449881490 /nfs/dbraw/zinc/88/14/90/449881490.db2.gz FCUZVCADVJFZGZ-KRWDZBQOSA-N 1 2 349.500 1.994 20 30 EDEDLO CC[N@H+]1[C@H](C)CN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000602875193 449884851 /nfs/dbraw/zinc/88/48/51/449884851.db2.gz YOLGXWQURVGEFT-GASCZTMLSA-N 1 2 335.473 1.746 20 30 EDEDLO CC[N@@H+]1[C@H](C)CN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000602875193 449884858 /nfs/dbraw/zinc/88/48/58/449884858.db2.gz YOLGXWQURVGEFT-GASCZTMLSA-N 1 2 335.473 1.746 20 30 EDEDLO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)CCOCC1 ZINC000599396348 449942062 /nfs/dbraw/zinc/94/20/62/449942062.db2.gz ICQHIPJLBOBWMD-OLZOCXBDSA-N 1 2 336.392 1.026 20 30 EDEDLO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)CCOCC1 ZINC000599396348 449942067 /nfs/dbraw/zinc/94/20/67/449942067.db2.gz ICQHIPJLBOBWMD-OLZOCXBDSA-N 1 2 336.392 1.026 20 30 EDEDLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000602898090 449906245 /nfs/dbraw/zinc/90/62/45/449906245.db2.gz LAYMQKZSMKCVFG-KGLIPLIRSA-N 1 2 325.206 1.638 20 30 EDEDLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1C#N ZINC000602898090 449906251 /nfs/dbraw/zinc/90/62/51/449906251.db2.gz LAYMQKZSMKCVFG-KGLIPLIRSA-N 1 2 325.206 1.638 20 30 EDEDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595170060 449920060 /nfs/dbraw/zinc/92/00/60/449920060.db2.gz QPLXAJABJFRTLR-KSSFIOAISA-N 1 2 343.431 1.719 20 30 EDEDLO CC(C)OC(=O)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C(C)C ZINC000599433153 449971380 /nfs/dbraw/zinc/97/13/80/449971380.db2.gz MJHHMWWSUFMDCO-GJZGRUSLSA-N 1 2 326.437 1.624 20 30 EDEDLO CC1(C)[C@H](NS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000601452414 449976249 /nfs/dbraw/zinc/97/62/49/449976249.db2.gz JOSGKENCLYQXBJ-CVEARBPZSA-N 1 2 349.456 1.336 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602978458 449978838 /nfs/dbraw/zinc/97/88/38/449978838.db2.gz QYAGXXPAZNYNJK-IUODEOHRSA-N 1 2 330.388 1.967 20 30 EDEDLO COc1ccc(NC(=O)NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602978458 449978848 /nfs/dbraw/zinc/97/88/48/449978848.db2.gz QYAGXXPAZNYNJK-IUODEOHRSA-N 1 2 330.388 1.967 20 30 EDEDLO C[C@H](NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccc(C#N)cc1 ZINC000609601647 450063759 /nfs/dbraw/zinc/06/37/59/450063759.db2.gz JEHOAOQTMNAENW-AWEZNQCLSA-N 1 2 338.415 1.870 20 30 EDEDLO COC(=O)[C@]1(OC)CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000599569067 450071678 /nfs/dbraw/zinc/07/16/78/450071678.db2.gz VVAKQDYCJHLSRM-SFHVURJKSA-N 1 2 345.399 1.197 20 30 EDEDLO COC(=O)[C@]1(OC)CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000599569067 450071685 /nfs/dbraw/zinc/07/16/85/450071685.db2.gz VVAKQDYCJHLSRM-SFHVURJKSA-N 1 2 345.399 1.197 20 30 EDEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@](OC)(C(=O)OC)C2)c1C#N ZINC000599561325 450060572 /nfs/dbraw/zinc/06/05/72/450060572.db2.gz BOTXLBTVAJOZCB-QGZVFWFLSA-N 1 2 332.356 1.109 20 30 EDEDLO COC(=O)c1cccc(C[N@H+]2CC[C@](OC)(C(=O)OC)C2)c1C#N ZINC000599561325 450060575 /nfs/dbraw/zinc/06/05/75/450060575.db2.gz BOTXLBTVAJOZCB-QGZVFWFLSA-N 1 2 332.356 1.109 20 30 EDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000599591843 450090033 /nfs/dbraw/zinc/09/00/33/450090033.db2.gz SIIBFGLPSVNBSO-HOTGVXAUSA-N 1 2 330.384 1.793 20 30 EDEDLO COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000599591843 450090041 /nfs/dbraw/zinc/09/00/41/450090041.db2.gz SIIBFGLPSVNBSO-HOTGVXAUSA-N 1 2 330.384 1.793 20 30 EDEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000610213232 450153616 /nfs/dbraw/zinc/15/36/16/450153616.db2.gz MPAHTNUZQXDNIO-IRXDYDNUSA-N 1 2 344.463 1.081 20 30 EDEDLO N#C[C@]1(F)CCN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000615646794 450184778 /nfs/dbraw/zinc/18/47/78/450184778.db2.gz VETXUXCSEYYTFG-QGZVFWFLSA-N 1 2 331.395 1.058 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H]1COc2ccccc2O1 ZINC000610511708 450250141 /nfs/dbraw/zinc/25/01/41/450250141.db2.gz KQDXQWMBXIWLOK-MRXNPFEDSA-N 1 2 331.416 1.374 20 30 EDEDLO N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000610533850 450256451 /nfs/dbraw/zinc/25/64/51/450256451.db2.gz RZMVXAPSHBPHGU-AWEZNQCLSA-N 1 2 341.346 1.696 20 30 EDEDLO C[C@H](C#N)CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000610697743 450303221 /nfs/dbraw/zinc/30/32/21/450303221.db2.gz ULGRODAKNUAMPQ-CYBMUJFWSA-N 1 2 329.404 1.355 20 30 EDEDLO CCCC(=O)NC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000603878198 450363551 /nfs/dbraw/zinc/36/35/51/450363551.db2.gz AKXJEQYUNXIPHP-UHFFFAOYSA-N 1 2 328.416 1.877 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000620725695 450534487 /nfs/dbraw/zinc/53/44/87/450534487.db2.gz BWBFYVOYASHRFS-PKOBYXMFSA-N 1 2 331.460 1.246 20 30 EDEDLO C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000620725695 450534489 /nfs/dbraw/zinc/53/44/89/450534489.db2.gz BWBFYVOYASHRFS-PKOBYXMFSA-N 1 2 331.460 1.246 20 30 EDEDLO C=CCC[C@@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000632126705 451056426 /nfs/dbraw/zinc/05/64/26/451056426.db2.gz ZJXUEPQGJCSTCS-IAGOWNOFSA-N 1 2 338.473 1.944 20 30 EDEDLO C=CCC[C@@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000632126705 451056431 /nfs/dbraw/zinc/05/64/31/451056431.db2.gz ZJXUEPQGJCSTCS-IAGOWNOFSA-N 1 2 338.473 1.944 20 30 EDEDLO C=CCCC(C)(C)CNC(=O)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000636537729 451280628 /nfs/dbraw/zinc/28/06/28/451280628.db2.gz SAFUIPLRGQYVJI-UHFFFAOYSA-N 1 2 332.448 1.872 20 30 EDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](C)c2ccc(F)cc2)nn1 ZINC000640836078 451621264 /nfs/dbraw/zinc/62/12/64/451621264.db2.gz SQPFNXNDEHTIBW-CYBMUJFWSA-N 1 2 329.379 1.408 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000637119873 451730776 /nfs/dbraw/zinc/73/07/76/451730776.db2.gz WYQZABCTLYHALT-YOEHRIQHSA-N 1 2 325.453 1.256 20 30 EDEDLO C=CC[C@H](CC)NC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000637119873 451730781 /nfs/dbraw/zinc/73/07/81/451730781.db2.gz WYQZABCTLYHALT-YOEHRIQHSA-N 1 2 325.453 1.256 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCCN(c3ccccc3F)C2=O)nn1 ZINC000641115060 451753912 /nfs/dbraw/zinc/75/39/12/451753912.db2.gz GVOKSWKNBTUXHN-QGZVFWFLSA-N 1 2 341.390 1.898 20 30 EDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2ccccc2C(C)C)nn1 ZINC000641206094 451781062 /nfs/dbraw/zinc/78/10/62/451781062.db2.gz ZRGHWTFDJFBAMQ-QGZVFWFLSA-N 1 2 342.443 1.954 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000662079287 452825487 /nfs/dbraw/zinc/82/54/87/452825487.db2.gz MAJXDQSAUCRREG-WCVJEAGWSA-N 1 2 340.489 1.594 20 30 EDEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000662079287 452825493 /nfs/dbraw/zinc/82/54/93/452825493.db2.gz MAJXDQSAUCRREG-WCVJEAGWSA-N 1 2 340.489 1.594 20 30 EDEDLO C=CCn1cc(C(=O)N[C@H](c2[nH+]ccn2CC)C2CCOCC2)nn1 ZINC000648387320 453054199 /nfs/dbraw/zinc/05/41/99/453054199.db2.gz DYQNRUHYGMNILS-HNNXBMFYSA-N 1 2 344.419 1.578 20 30 EDEDLO CC#CC[NH2+]Cc1cn([C@H](C(=O)NC2CC2)c2ccc(F)cc2)nn1 ZINC000656435916 453176283 /nfs/dbraw/zinc/17/62/83/453176283.db2.gz HBBWQQNABHPULK-KRWDZBQOSA-N 1 2 341.390 1.398 20 30 EDEDLO C=CCn1c(C)cc(C(=O)CN2CC[NH+]([C@@H]3CCOC3)CC2)c1C ZINC000676316881 486735735 /nfs/dbraw/zinc/73/57/35/486735735.db2.gz GMGJDWNPCPSSRX-QGZVFWFLSA-N 1 2 331.460 1.880 20 30 EDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000667491947 486808283 /nfs/dbraw/zinc/80/82/83/486808283.db2.gz NTUVSGJEYDHPQL-UHFFFAOYSA-N 1 2 326.444 1.896 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000329742606 485552663 /nfs/dbraw/zinc/55/26/63/485552663.db2.gz PONLJZLKABBTNH-CHWSQXEVSA-N 1 2 329.408 1.185 20 30 EDEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000329742606 485552668 /nfs/dbraw/zinc/55/26/68/485552668.db2.gz PONLJZLKABBTNH-CHWSQXEVSA-N 1 2 329.408 1.185 20 30 EDEDLO Cc1cc(N2CC[C@@H](O[NH+]=C(N)c3cccc(Cl)c3)C2=O)n(C)n1 ZINC000174100813 533901366 /nfs/dbraw/zinc/90/13/66/533901366.db2.gz XBRPKJBODYRWOH-CYBMUJFWSA-N 1 2 347.806 1.824 20 30 EDEDLO C=CCOc1ccc(/C=C/C(=O)NCC[NH+]2CCOCC2)cc1OC ZINC000068810011 526832868 /nfs/dbraw/zinc/83/28/68/526832868.db2.gz BYTVEILSBDAZAR-FNORWQNLSA-N 1 2 346.427 1.722 20 30 EDEDLO C=CCOc1ccccc1C[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000112143127 526932422 /nfs/dbraw/zinc/93/24/22/526932422.db2.gz UHLUYPVEHLSDAH-UHFFFAOYSA-N 1 2 343.471 1.991 20 30 EDEDLO C=CCOc1ccccc1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000112143127 526932429 /nfs/dbraw/zinc/93/24/29/526932429.db2.gz UHLUYPVEHLSDAH-UHFFFAOYSA-N 1 2 343.471 1.991 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000124209622 527025458 /nfs/dbraw/zinc/02/54/58/527025458.db2.gz AUZPUHIRLSTGED-INIZCTEOSA-N 1 2 327.428 1.281 20 30 EDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000124209622 527025461 /nfs/dbraw/zinc/02/54/61/527025461.db2.gz AUZPUHIRLSTGED-INIZCTEOSA-N 1 2 327.428 1.281 20 30 EDEDLO C#CCSCCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000153781343 527144403 /nfs/dbraw/zinc/14/44/03/527144403.db2.gz JSUPJSFIQJNKLS-AWEZNQCLSA-N 1 2 348.472 1.472 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cnc4ccc(C#N)cn34)[C@@H]2C1 ZINC000092095983 536700745 /nfs/dbraw/zinc/70/07/45/536700745.db2.gz VBBHQNXSRWYEDZ-ZACQAIPSSA-N 1 2 326.400 1.974 20 30 EDEDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cnc4ccc(C#N)cn34)[C@@H]2C1 ZINC000092095983 536700749 /nfs/dbraw/zinc/70/07/49/536700749.db2.gz VBBHQNXSRWYEDZ-ZACQAIPSSA-N 1 2 326.400 1.974 20 30 EDEDLO CC(=NNc1nnc(C)c(=O)[nH]1)c1cccc(OCC[NH+](C)C)c1 ZINC000743525773 579483142 /nfs/dbraw/zinc/48/31/42/579483142.db2.gz KHYWYOIAXMASAL-UHFFFAOYSA-N 1 2 330.392 1.662 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+](C)[C@H]1CCNC1=O ZINC000759439767 580005932 /nfs/dbraw/zinc/00/59/32/580005932.db2.gz YYEDNANEEUDLGQ-FDIDWWNZSA-N 1 2 327.428 1.687 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000759439767 580005933 /nfs/dbraw/zinc/00/59/33/580005933.db2.gz YYEDNANEEUDLGQ-FDIDWWNZSA-N 1 2 327.428 1.687 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000728928399 578554495 /nfs/dbraw/zinc/55/44/95/578554495.db2.gz UVOFEJBTBKRXMK-CYBMUJFWSA-N 1 2 340.383 1.305 20 30 EDEDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000728928399 578554496 /nfs/dbraw/zinc/55/44/96/578554496.db2.gz UVOFEJBTBKRXMK-CYBMUJFWSA-N 1 2 340.383 1.305 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1 ZINC000730098684 578614457 /nfs/dbraw/zinc/61/44/57/578614457.db2.gz MWBOMTBXNWQWDY-INIZCTEOSA-N 1 2 349.456 1.874 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1 ZINC000730098684 578614458 /nfs/dbraw/zinc/61/44/58/578614458.db2.gz MWBOMTBXNWQWDY-INIZCTEOSA-N 1 2 349.456 1.874 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 ZINC000730105689 578614949 /nfs/dbraw/zinc/61/49/49/578614949.db2.gz MPWTZBVVFZYUCO-HNNXBMFYSA-N 1 2 335.429 1.403 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C)c(NS(C)(=O)=O)c1 ZINC000730105689 578614950 /nfs/dbraw/zinc/61/49/50/578614950.db2.gz MPWTZBVVFZYUCO-HNNXBMFYSA-N 1 2 335.429 1.403 20 30 EDEDLO C#CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000731213057 578670971 /nfs/dbraw/zinc/67/09/71/578670971.db2.gz TWQRXMJPDDZZPR-INIZCTEOSA-N 1 2 332.425 1.449 20 30 EDEDLO C#CC[N@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000731213057 578670972 /nfs/dbraw/zinc/67/09/72/578670972.db2.gz TWQRXMJPDDZZPR-INIZCTEOSA-N 1 2 332.425 1.449 20 30 EDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000732788822 578728761 /nfs/dbraw/zinc/72/87/61/578728761.db2.gz GMCDTYIMQZJFBH-ZBFHGGJFSA-N 1 2 329.375 1.145 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000732788822 578728763 /nfs/dbraw/zinc/72/87/63/578728763.db2.gz GMCDTYIMQZJFBH-ZBFHGGJFSA-N 1 2 329.375 1.145 20 30 EDEDLO COc1[nH+]c(N)nc(N2CCCC2)c1CN=Nc1nccnc1Cl ZINC000733079362 578741442 /nfs/dbraw/zinc/74/14/42/578741442.db2.gz IGNRIINLNRCBKL-UHFFFAOYSA-N 1 2 348.798 1.557 20 30 EDEDLO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735311452 578875149 /nfs/dbraw/zinc/87/51/49/578875149.db2.gz QEHGQFKJQJZJLO-ZDUSSCGKSA-N 1 2 343.836 1.366 20 30 EDEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735311452 578875150 /nfs/dbraw/zinc/87/51/50/578875150.db2.gz QEHGQFKJQJZJLO-ZDUSSCGKSA-N 1 2 343.836 1.366 20 30 EDEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000739900618 579264970 /nfs/dbraw/zinc/26/49/70/579264970.db2.gz ATXWHLNHVPHXPI-MRXNPFEDSA-N 1 2 329.400 1.573 20 30 EDEDLO C#CCC[NH+]1CCN(C(=O)c2csc(-c3ccccn3)n2)CC1 ZINC000747217205 579633976 /nfs/dbraw/zinc/63/39/76/579633976.db2.gz PPRNHOWZABKNMG-UHFFFAOYSA-N 1 2 326.425 1.986 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000748824498 579702609 /nfs/dbraw/zinc/70/26/09/579702609.db2.gz MLMINSZFQPCZSO-KRWDZBQOSA-N 1 2 331.847 1.864 20 30 EDEDLO C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000748824498 579702610 /nfs/dbraw/zinc/70/26/10/579702610.db2.gz MLMINSZFQPCZSO-KRWDZBQOSA-N 1 2 331.847 1.864 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)CN2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000748824498 579702611 /nfs/dbraw/zinc/70/26/11/579702611.db2.gz MLMINSZFQPCZSO-KRWDZBQOSA-N 1 2 331.847 1.864 20 30 EDEDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)S1 ZINC000749402603 579725163 /nfs/dbraw/zinc/72/51/63/579725163.db2.gz FJFBIWTYYNXRKU-CYBMUJFWSA-N 1 2 328.441 1.736 20 30 EDEDLO C[C@H]1CC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1F ZINC000777962528 580453581 /nfs/dbraw/zinc/45/35/81/580453581.db2.gz DCOYKXOJLPTXMR-BBRMVZONSA-N 1 2 344.390 1.960 20 30 EDEDLO C[C@H]1CC[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1F ZINC000777962528 580453582 /nfs/dbraw/zinc/45/35/82/580453582.db2.gz DCOYKXOJLPTXMR-BBRMVZONSA-N 1 2 344.390 1.960 20 30 EDEDLO C[C@@H]1CC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C[C@@H]1F ZINC000777963164 580453614 /nfs/dbraw/zinc/45/36/14/580453614.db2.gz GMYMOKXFNNBVOY-CJNGLKHVSA-N 1 2 344.390 1.960 20 30 EDEDLO C[C@@H]1CC[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C[C@@H]1F ZINC000777963164 580453615 /nfs/dbraw/zinc/45/36/15/580453615.db2.gz GMYMOKXFNNBVOY-CJNGLKHVSA-N 1 2 344.390 1.960 20 30 EDEDLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O ZINC000751669714 579816653 /nfs/dbraw/zinc/81/66/53/579816653.db2.gz ZEIOUPUBEXOISF-STQMWFEESA-N 1 2 333.413 1.753 20 30 EDEDLO C[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O ZINC000751669714 579816654 /nfs/dbraw/zinc/81/66/54/579816654.db2.gz ZEIOUPUBEXOISF-STQMWFEESA-N 1 2 333.413 1.753 20 30 EDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CSCCS1 ZINC000751807847 579822803 /nfs/dbraw/zinc/82/28/03/579822803.db2.gz MRDSPOVGIKOMSA-AWEZNQCLSA-N 1 2 343.518 1.300 20 30 EDEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@](C)(O)C2CC2)CC1=O ZINC000752721883 579864398 /nfs/dbraw/zinc/86/43/98/579864398.db2.gz HYUUOCTVTJNNPC-IBGZPJMESA-N 1 2 340.427 1.807 20 30 EDEDLO C=C(C)COCCNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754120831 579897035 /nfs/dbraw/zinc/89/70/35/579897035.db2.gz WLYCKTSLXZDKQF-UHFFFAOYSA-N 1 2 340.493 1.788 20 30 EDEDLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](C)C#N ZINC000757906035 579972755 /nfs/dbraw/zinc/97/27/55/579972755.db2.gz GRROUEDDNCAIHH-KOLCDFICSA-N 1 2 330.841 1.454 20 30 EDEDLO Cc1ccn(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c(=O)c1C#N ZINC000758180289 579976309 /nfs/dbraw/zinc/97/63/09/579976309.db2.gz AOOHKCPJTAMVAV-UHFFFAOYSA-N 1 2 325.368 1.889 20 30 EDEDLO Cc1ccn(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(=O)c1C#N ZINC000758180289 579976310 /nfs/dbraw/zinc/97/63/10/579976310.db2.gz AOOHKCPJTAMVAV-UHFFFAOYSA-N 1 2 325.368 1.889 20 30 EDEDLO N#Cc1ccc(C[NH+]2CCN(C[C@H]3CC4(CC4)C(=O)O3)CC2)cc1 ZINC000763661688 580103628 /nfs/dbraw/zinc/10/36/28/580103628.db2.gz PGURRWLWUDBOJT-QGZVFWFLSA-N 1 2 325.412 1.772 20 30 EDEDLO CC[N@H+](CC(=O)NC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000764201078 580115362 /nfs/dbraw/zinc/11/53/62/580115362.db2.gz GHJFIQZSNSYSOI-JTQLQIEISA-N 1 2 334.445 1.503 20 30 EDEDLO CC[N@@H+](CC(=O)NC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000764201078 580115363 /nfs/dbraw/zinc/11/53/63/580115363.db2.gz GHJFIQZSNSYSOI-JTQLQIEISA-N 1 2 334.445 1.503 20 30 EDEDLO CC[C@H](C)CN(C)c1ccc(F)cc1C=[NH+]NC1=NC(=O)C(=O)N1 ZINC000765595565 580146469 /nfs/dbraw/zinc/14/64/69/580146469.db2.gz NWCUGXHGRFEOGC-JTQLQIEISA-N 1 2 333.367 1.244 20 30 EDEDLO N#Cc1c2c(cn(C[NH+]3CCC(Cn4ccnn4)CC3)c1=O)CCC2 ZINC000766633775 580170817 /nfs/dbraw/zinc/17/08/17/580170817.db2.gz SIMVSXVCLPXPPT-UHFFFAOYSA-N 1 2 338.415 1.170 20 30 EDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)C2CCCCC2)CC1 ZINC000766870056 580175904 /nfs/dbraw/zinc/17/59/04/580175904.db2.gz LSYABLBQDVJSDG-UHFFFAOYSA-N 1 2 347.503 1.877 20 30 EDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)C2CCCCC2)CC1 ZINC000766870056 580175905 /nfs/dbraw/zinc/17/59/05/580175905.db2.gz LSYABLBQDVJSDG-UHFFFAOYSA-N 1 2 347.503 1.877 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)c2ccc3nnc(C(C)(C)C)n3c2)CC1 ZINC000769367225 580234688 /nfs/dbraw/zinc/23/46/88/580234688.db2.gz CDJIFAZHKDVNQS-UHFFFAOYSA-N 1 2 325.416 1.418 20 30 EDEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)cc1 ZINC000769503836 580238629 /nfs/dbraw/zinc/23/86/29/580238629.db2.gz NUTRNTUXCGLNDD-CQSZACIVSA-N 1 2 330.432 1.359 20 30 EDEDLO C[C@H](C#N)Oc1ccc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)cc1 ZINC000769503836 580238630 /nfs/dbraw/zinc/23/86/30/580238630.db2.gz NUTRNTUXCGLNDD-CQSZACIVSA-N 1 2 330.432 1.359 20 30 EDEDLO S=C(NCC[NH+]1CCOCC1)NN=Cc1cscc1Cl ZINC000771872868 580297272 /nfs/dbraw/zinc/29/72/72/580297272.db2.gz WJLHXZXPDCJIBF-UHFFFAOYSA-N 1 2 332.882 1.532 20 30 EDEDLO Nc1nc(Cl)c(C=[NH+]OC2CCOCC2)c(N2CCOCC2)n1 ZINC000774433659 580362132 /nfs/dbraw/zinc/36/21/32/580362132.db2.gz RORWJBJKDDROAJ-UHFFFAOYSA-N 1 2 341.799 1.078 20 30 EDEDLO C[C@H]1CCOCC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000774645586 580368742 /nfs/dbraw/zinc/36/87/42/580368742.db2.gz AOPMLZQAUUVAAS-UGSOOPFHSA-N 1 2 342.399 1.394 20 30 EDEDLO C[C@H]1CCOCC[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000774645586 580368743 /nfs/dbraw/zinc/36/87/43/580368743.db2.gz AOPMLZQAUUVAAS-UGSOOPFHSA-N 1 2 342.399 1.394 20 30 EDEDLO COC(=O)c1cccc(COC(=O)[C@H](C)[NH+]2CCSCC2)c1C#N ZINC000774986891 580379921 /nfs/dbraw/zinc/37/99/21/580379921.db2.gz JCCZOTLOCGJXIJ-LBPRGKRZSA-N 1 2 348.424 1.825 20 30 EDEDLO C#CC[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000780690981 580531284 /nfs/dbraw/zinc/53/12/84/580531284.db2.gz VIAWKXLIPLVFEJ-HNAYVOBHSA-N 1 2 347.459 1.411 20 30 EDEDLO CC(=NNC(=S)NCC[NH+]1CCOCC1)c1ccc(C#N)cc1F ZINC000781116370 580542258 /nfs/dbraw/zinc/54/22/58/580542258.db2.gz CVLKVLXGKAGYDK-UHFFFAOYSA-N 1 2 349.435 1.218 20 30 EDEDLO Cc1[nH+]c2ccccc2n1CC(=O)OCC(=O)NC1(C#N)CCC1 ZINC000784209672 580615573 /nfs/dbraw/zinc/61/55/73/580615573.db2.gz QGWHBCWEBDHLAT-UHFFFAOYSA-N 1 2 326.356 1.450 20 30 EDEDLO C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000785186556 580637504 /nfs/dbraw/zinc/63/75/04/580637504.db2.gz QEESJLYUFFFSCL-LBPRGKRZSA-N 1 2 338.371 1.356 20 30 EDEDLO N#Cc1sc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)nc1Cl ZINC000787891479 580708317 /nfs/dbraw/zinc/70/83/17/580708317.db2.gz FMFOEFJIMYLTHO-UHFFFAOYSA-N 1 2 334.792 1.743 20 30 EDEDLO C#CCn1ccc(CN(CCOC)C(=O)CCCn2cc[nH+]c2)n1 ZINC000790104580 580762315 /nfs/dbraw/zinc/76/23/15/580762315.db2.gz RNZATCYBHGQUSP-UHFFFAOYSA-N 1 2 329.404 1.168 20 30 EDEDLO COc1cccc([C@@H](C#N)NC(=O)CCc2c[nH+]cn2C)c1OC ZINC000793434058 580844028 /nfs/dbraw/zinc/84/40/28/580844028.db2.gz AMPCECLMTGBBJW-CQSZACIVSA-N 1 2 328.372 1.751 20 30 EDEDLO Cc1ccn(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(=O)c1C#N ZINC000793588311 580848254 /nfs/dbraw/zinc/84/82/54/580848254.db2.gz ALNDOXOVGBEYPW-OAHLLOKOSA-N 1 2 335.367 1.406 20 30 EDEDLO Cc1ccn(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(=O)c1C#N ZINC000793588311 580848255 /nfs/dbraw/zinc/84/82/55/580848255.db2.gz ALNDOXOVGBEYPW-OAHLLOKOSA-N 1 2 335.367 1.406 20 30 EDEDLO Cc1ncc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)nc2)cc1C#N ZINC000794016571 580865176 /nfs/dbraw/zinc/86/51/76/580865176.db2.gz CQCPMNRDPHSXLD-UHFFFAOYSA-N 1 2 340.368 1.643 20 30 EDEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000795819668 580938398 /nfs/dbraw/zinc/93/83/98/580938398.db2.gz OMKRTJLXTCWNNB-PBHICJAKSA-N 1 2 327.384 1.504 20 30 EDEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000796307099 580950587 /nfs/dbraw/zinc/95/05/87/580950587.db2.gz ZTEBYHIGPJJSNM-IINYFYTJSA-N 1 2 347.337 1.365 20 30 EDEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000796307099 580950588 /nfs/dbraw/zinc/95/05/88/580950588.db2.gz ZTEBYHIGPJJSNM-IINYFYTJSA-N 1 2 347.337 1.365 20 30 EDEDLO N#CCCNC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000796516509 580955528 /nfs/dbraw/zinc/95/55/28/580955528.db2.gz KVGCIIFOYKQSRF-UHFFFAOYSA-N 1 2 330.363 1.570 20 30 EDEDLO C#CCC[C@H](O)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000798364590 580995420 /nfs/dbraw/zinc/99/54/20/580995420.db2.gz NIDGJYHIRARWGB-ZWKOTPCHSA-N 1 2 345.443 1.133 20 30 EDEDLO C=CCN1CC[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1=O ZINC000799144215 581018786 /nfs/dbraw/zinc/01/87/86/581018786.db2.gz WCQCETHBFGHQFP-MRXNPFEDSA-N 1 2 343.387 1.929 20 30 EDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1=O ZINC000799144215 581018787 /nfs/dbraw/zinc/01/87/87/581018787.db2.gz WCQCETHBFGHQFP-MRXNPFEDSA-N 1 2 343.387 1.929 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)C1=O ZINC000799169126 581020866 /nfs/dbraw/zinc/02/08/66/581020866.db2.gz YXZDBBJQXPJFBA-IRXDYDNUSA-N 1 2 327.428 1.506 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(Cc3ccccc3)C2=O)C1=O ZINC000799169126 581020867 /nfs/dbraw/zinc/02/08/67/581020867.db2.gz YXZDBBJQXPJFBA-IRXDYDNUSA-N 1 2 327.428 1.506 20 30 EDEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccnc2Cl)C1=O ZINC000799176260 581021333 /nfs/dbraw/zinc/02/13/33/581021333.db2.gz KSRLWAJHHIDFBX-YPMHNXCESA-N 1 2 336.823 1.781 20 30 EDEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cccnc2Cl)C1=O ZINC000799176260 581021334 /nfs/dbraw/zinc/02/13/34/581021334.db2.gz KSRLWAJHHIDFBX-YPMHNXCESA-N 1 2 336.823 1.781 20 30 EDEDLO COc1ccc(CCC(=O)N2CC[NH+](CCO[C@H](C)C#N)CC2)cc1 ZINC000801914804 581087831 /nfs/dbraw/zinc/08/78/31/581087831.db2.gz FIJPTCKKYDDRIE-MRXNPFEDSA-N 1 2 345.443 1.701 20 30 EDEDLO C[C@@H](C#N)OCC[NH+]1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000801918219 581087910 /nfs/dbraw/zinc/08/79/10/581087910.db2.gz ZUTVZFNHOUVRMP-INIZCTEOSA-N 1 2 336.480 1.324 20 30 EDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2CCC)C1 ZINC000891608507 591148550 /nfs/dbraw/zinc/14/85/50/591148550.db2.gz YJYHNRJHHSUJNF-INIZCTEOSA-N 1 2 327.428 1.791 20 30 EDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2CCC)C1 ZINC000891608507 591148553 /nfs/dbraw/zinc/14/85/53/591148553.db2.gz YJYHNRJHHSUJNF-INIZCTEOSA-N 1 2 327.428 1.791 20 30 EDEDLO Cc1nnc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 ZINC000894006477 591167138 /nfs/dbraw/zinc/16/71/38/591167138.db2.gz VMFKDYSXGDXCRN-CQSZACIVSA-N 1 2 327.413 1.609 20 30 EDEDLO C#CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000895808914 591274320 /nfs/dbraw/zinc/27/43/20/591274320.db2.gz WYMBYBFHXWHXAM-UHFFFAOYSA-N 1 2 337.401 1.508 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1[nH]c2ccccc2c1C#N ZINC000898667555 591463201 /nfs/dbraw/zinc/46/32/01/591463201.db2.gz XUUQPPXNMFEVGK-OLZOCXBDSA-N 1 2 326.400 1.879 20 30 EDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1[nH]c2ccccc2c1C#N ZINC000898667555 591463204 /nfs/dbraw/zinc/46/32/04/591463204.db2.gz XUUQPPXNMFEVGK-OLZOCXBDSA-N 1 2 326.400 1.879 20 30 EDEDLO C[C@]1(C#N)CN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000896479070 591478600 /nfs/dbraw/zinc/47/86/00/591478600.db2.gz JZZIGPBKQZJTGS-AEFFLSMTSA-N 1 2 339.399 1.948 20 30 EDEDLO C#CCN(CC(=O)NCC(C)(C)n1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000898911020 591595567 /nfs/dbraw/zinc/59/55/67/591595567.db2.gz GPHBJDXYBCYFQU-UHFFFAOYSA-N 1 2 334.420 1.605 20 30 EDEDLO Cc1nc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)sc1SCC#N ZINC000900480752 592030050 /nfs/dbraw/zinc/03/00/50/592030050.db2.gz OXBOOJNFXZSRIT-NOZJJQNGSA-N 1 2 326.447 1.461 20 30 EDEDLO Cc1nc(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)sc1SCC#N ZINC000900480752 592030053 /nfs/dbraw/zinc/03/00/53/592030053.db2.gz OXBOOJNFXZSRIT-NOZJJQNGSA-N 1 2 326.447 1.461 20 30 EDEDLO COc1ccccc1N1CCC[N@H+](Cn2cccc(C#N)c2=O)CC1 ZINC000902639704 592034226 /nfs/dbraw/zinc/03/42/26/592034226.db2.gz WLVZGXZXBIQDBH-UHFFFAOYSA-N 1 2 338.411 1.898 20 30 EDEDLO COc1ccccc1N1CCC[N@@H+](Cn2cccc(C#N)c2=O)CC1 ZINC000902639704 592034227 /nfs/dbraw/zinc/03/42/27/592034227.db2.gz WLVZGXZXBIQDBH-UHFFFAOYSA-N 1 2 338.411 1.898 20 30 EDEDLO Cn1c(CC#N)nn(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1=S ZINC000902649994 592038938 /nfs/dbraw/zinc/03/89/38/592038938.db2.gz VJJZXOMVEBUXBI-NSHDSACASA-N 1 2 334.474 1.996 20 30 EDEDLO Cn1c(CC#N)nn(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1=S ZINC000902649994 592038942 /nfs/dbraw/zinc/03/89/42/592038942.db2.gz VJJZXOMVEBUXBI-NSHDSACASA-N 1 2 334.474 1.996 20 30 EDEDLO Oc1cc(Cl)cc(C=NNC(=S)NCC[NH+]2CCOCC2)c1 ZINC000901129400 592243702 /nfs/dbraw/zinc/24/37/02/592243702.db2.gz AEQZHJHEXAYNPB-UHFFFAOYSA-N 1 2 342.852 1.176 20 30 EDEDLO C=CC[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)C(=O)OC ZINC000901728112 592446569 /nfs/dbraw/zinc/44/65/69/592446569.db2.gz KVJSLRIOPTWVEZ-ZJUUUORDSA-N 1 2 328.210 1.668 20 30 EDEDLO C[C@](O)(C[NH2+]Cc1nc(C(F)(F)F)n[nH]1)C(F)(F)C(F)(F)F ZINC000905220599 592472473 /nfs/dbraw/zinc/47/24/73/592472473.db2.gz SYJGYKWAPKNPDH-LURJTMIESA-N 1 2 342.190 1.862 20 30 EDEDLO N#Cc1ccc(O)c(NC(=O)c2cccn2CC[NH+]2CCOCC2)c1 ZINC000907146324 592536627 /nfs/dbraw/zinc/53/66/27/592536627.db2.gz XVPDRWXMTSWVGJ-UHFFFAOYSA-N 1 2 340.383 1.650 20 30 EDEDLO C=CCC1(O)CCN(c2nnc([C@H]3C[N@@H+](C)C[C@@H](C)O3)n2C)CC1 ZINC000908568482 592542679 /nfs/dbraw/zinc/54/26/79/592542679.db2.gz 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CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@H]3CCCC[C@H]3C#N)co2)C1 ZINC000912407855 593093728 /nfs/dbraw/zinc/09/37/28/593093728.db2.gz SHLARLYFNPENOJ-IHRRRGAJSA-N 1 2 332.404 1.707 20 30 EDEDLO Cn1c[nH+]c(CNc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1 ZINC000808441387 593259104 /nfs/dbraw/zinc/25/91/04/593259104.db2.gz WQGOKZSFFDTIGY-KNTRCKAVSA-N 1 2 347.444 1.845 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000839666566 593359920 /nfs/dbraw/zinc/35/99/20/593359920.db2.gz OIVDKLDTEPBPKA-ZKGIGPEPSA-N 1 2 344.455 1.542 20 30 EDEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000839666566 593359923 /nfs/dbraw/zinc/35/99/23/593359923.db2.gz OIVDKLDTEPBPKA-ZKGIGPEPSA-N 1 2 344.455 1.542 20 30 EDEDLO N#CC1(CS(=O)(=O)NCc2cccnc2-n2cc[nH+]c2)CCC1 ZINC000809807923 593360764 /nfs/dbraw/zinc/36/07/64/593360764.db2.gz UZHUQUPPIYQQCG-UHFFFAOYSA-N 1 2 331.401 1.381 20 30 EDEDLO C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810073463 593380253 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